CC1(C)CN(C(=O)C[N@@H+]2CC3C=CC2C3)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028583865	1	53	0.0	-65.43	396.43	5.02	-60.41
CC1(C)CN(C(=O)C[N@H+]2CC3C=CC2C3)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028583865	1	53	0.0	-65.80	396.24	5.03	-60.77
CC1(C)CN(C(=O)C2C[NH+]3CCN2CC3)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028583944	0	54	0.0	-74.46	389.98	1.26	-73.20
CC1(C)CN(C(=O)C23CCC[N@@H+]2CCCC3)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028583984	0	58	0.0	-62.81	405.20	4.93	-57.88
CC1(C)CN(C(=O)C23CCC[N@H+]2CCCC3)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028583984	1	58	0.0	-63.35	400.29	4.72	-58.63
CC1(C)CN(C(=O)C23CCC[N@@H+]2CC=CC3)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028583991	0	56	0.0	-63.01	398.53	4.80	-58.21
CC1(C)CN(C(=O)C23CCC[N@H+]2CC=CC3)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028583991	1	56	0.0	-62.95	398.56	4.67	-58.28
CC(OCC[NH+](C)C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028584001	0	57	0.0	-68.04	429.24	4.71	-63.33
C[NH+](C)CCOCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028584010	0	57	0.0	-68.54	433.71	3.96	-64.58
COCC[N@H+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028584012	1	54	0.0	-69.32	406.95	2.97	-66.35
COCC[N@@H+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028584012	1	54	0.0	-70.11	407.20	2.94	-67.17
CC1(C)CN(C(=O)C2C[NH+](C3CCOC3)C2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584013	0	56	0.0	-74.57	422.76	3.48	-71.09
CC(CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1)[NH+](C)C	REAL300028584017	0	56	0.0	-69.31	414.24	4.92	-64.39
C[NH+]1CCC(=CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)CC1	REAL300028584034	0	55	0.0	-70.38	409.35	5.41	-64.97
CC[N@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1)C1CC1	REAL300028584042	0	54	0.0	-65.64	405.46	5.14	-60.50
CC[N@@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1)C1CC1	REAL300028584042	1	54	0.0	-67.69	398.24	5.04	-62.65
CC1C[N@@H+]2CCN1C(C(=O)N1CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C1)C2	REAL300028584057	0	57	0.0	-74.89	406.40	1.79	-73.10
CC1C[N@H+]2CCN1C(C(=O)N1CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C1)C2	REAL300028584057	1	57	0.0	-73.29	406.22	1.83	-71.46
C[N@@H+]1CC2CC1(C(=O)N1CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C1)C2	REAL300028584080	0	52	0.0	-66.76	384.22	4.09	-62.67
C[N@H+]1CC2CC1(C(=O)N1CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C1)C2	REAL300028584080	1	52	0.0	-66.61	382.09	4.15	-62.46
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028584089	1	54	0.0	-67.77	420.80	3.82	-63.95
CC1(C)CN(C(=O)C[N@@H+]2CC3CCC2C3)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584095	0	55	0.0	-67.03	403.49	5.23	-61.80
CC1(C)CN(C(=O)C[N@H+]2CC3CCC2C3)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584095	1	55	0.0	-66.26	401.26	5.04	-61.22
CC(C[NH+](C)C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028584115	0	53	0.0	-73.01	395.34	4.28	-68.73
C[NH+](C)C1(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)CC1	REAL300028584131	0	51	0.0	-69.72	378.97	3.71	-66.01
C[C@H](C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1)[NH+](C)C	REAL300028584156	0	50	0.0	-67.39	372.41	3.46	-63.93
CC[N@@H+]1CCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028584163	1	51	0.0	-67.03	378.67	3.71	-63.32
CC[N@H+]1CCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028584163	1	51	0.0	-68.00	387.63	4.08	-63.92
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)C1	REAL300028584175	0	60	0.0	-67.08	435.16	5.83	-61.25
CC(C)[N@H+]1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)C1	REAL300028584175	1	60	0.0	-67.26	435.39	5.85	-61.41
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028584190	0	59	0.0	-65.84	418.05	3.48	-62.36
C#CC[N@H+]1CCCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028584231	1	56	0.0	-65.90	411.60	5.43	-60.47
C#CC[N@@H+]1CCCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028584231	1	56	0.0	-65.92	411.55	5.35	-60.57
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028584232	1	53	0.0	-61.78	409.95	3.78	-58.00
CC1(C)CN(C(=O)C2=C[NH+]=CC=C2N)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584233	0	47	0.0	-68.49	368.12	1.04	-67.45
CCCC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1)[NH+](C)C	REAL300028584242	0	56	0.0	-68.00	407.90	4.93	-63.07
C[NH+](C)C(C)(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028584249	0	53	0.0	-68.02	377.57	3.62	-64.40
CC(CC[NH+](C)C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028584267	0	56	0.0	-72.87	417.00	4.90	-67.97
CC1(C)CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584334	0	56	0.0	-64.88	416.86	5.62	-59.26
CC1(C)CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584334	1	56	0.0	-64.59	406.92	5.07	-59.52
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028584368	0	57	0.0	-66.63	414.87	4.83	-61.80
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028584368	1	57	0.0	-65.04	419.07	5.10	-59.94
C[NH+](C)CCCCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028584373	0	59	0.0	-70.41	443.73	6.08	-64.33
CC1(C)CN(C(=O)CC[NH+]2CCC(O)CC2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584377	0	58	0.0	-74.07	431.52	2.23	-71.84
CCC[N@@H+]1CCCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028584381	0	60	0.0	-66.68	428.83	5.74	-60.94
CCC[N@H+]1CCCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028584381	1	60	0.0	-64.58	436.77	6.09	-58.49
C[NH+]1CCN(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)CC1	REAL300028584390	1	56	0.0	-69.61	415.91	2.62	-66.99
CC1C[N@H+](C)CC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)O1	REAL300028584483	1	55	0.0	-77.36	403.66	3.72	-73.64
CC1C[N@@H+](C)CC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)O1	REAL300028584483	1	55	0.0	-83.82	405.12	4.13	-79.69
CCC1CCC[N@H+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)C1	REAL300028584515	0	60	0.0	-69.44	430.86	6.21	-63.23
CCC1CCC[N@@H+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)C1	REAL300028584515	1	60	0.0	-69.43	437.89	6.24	-63.19
C[NH+](C)CC1=CC=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)N1	REAL300028584523	0	55	0.0	-75.94	420.63	4.55	-71.39
CC1(C)CN(C(=O)C[NH+]2CC3CC3C2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584538	0	52	0.0	-69.31	392.36	5.02	-64.29
CC1(C)CN(C(=O)CC2([NH+]3CCCC3)CC2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584551	0	58	0.0	-66.01	422.03	5.95	-60.06
C[N@@H+]1CCCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028584588	0	54	0.0	-68.24	389.52	4.34	-63.90
C[N@H+]1CCCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028584588	1	54	0.0	-65.50	397.45	4.72	-60.78
C[N@@H+]1CCC(=CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)C1	REAL300028584703	0	52	0.0	-72.77	393.61	4.73	-68.04
C[N@H+]1CCC(=CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)C1	REAL300028584703	1	52	0.0	-72.76	393.81	4.73	-68.03
CC1(C)CN(C(=O)CNC2=CC=[NH+]C=C2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584708	0	50	0.0	-68.30	392.60	2.40	-65.90
CC[NH+]1CCN(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)CC1	REAL300028584762	0	59	0.0	-68.36	433.65	3.30	-65.06
CC1(C)CN(C(=O)C=C2C[NH+]3CCC2CC3)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584765	0	56	0.0	-66.82	412.23	5.55	-61.27
C[NH+](C)C1(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)CCCC1	REAL300028584800	0	57	0.0	-65.89	393.49	4.72	-61.17
C[N@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1)[C@@H]1CCC[C@H]1O	REAL300028584811	0	58	0.0	-64.96	427.34	2.51	-62.45
C[N@@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1)[C@@H]1CCC[C@H]1O	REAL300028584811	1	58	0.0	-67.16	427.53	2.51	-64.65
CCC1C[NH+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)C1	REAL300028584815	1	54	0.0	-70.37	409.37	4.95	-65.42
CC1(C)CN(C(=O)C2([NH+]3CCCC3)CCC2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584819	0	58	0.0	-65.45	413.76	5.36	-60.09
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028584833	0	51	0.0	-66.01	378.80	3.98	-62.03
C[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028584833	1	51	0.0	-67.58	374.28	3.61	-63.97
CC[N@@H+]1CCOCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028584861	0	58	0.0	-70.63	420.58	3.48	-67.15
CC1(C)CN(C(=O)C2=CC=C3NC(N)=NC3=C2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584942	0	51	0.0	-68.36	400.97	4.07	-64.29
CC1(C)CN(C(=O)C2=CC=C3NC(N)=[NH+]C3=C2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584942	1	51	0.0	-68.36	400.97	4.07	-64.29
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)C1	REAL300028584976	0	54	0.0	-69.55	405.77	4.85	-64.70
C[NH+](C)C1CCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)CC1	REAL300028584990	0	60	0.0	-66.60	425.75	5.59	-61.01
C[NH+](C)CCC1(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)CC1	REAL300028584991	0	57	0.0	-68.44	428.59	5.59	-62.85
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)CC1	REAL300028584993	0	60	0.0	-66.00	425.52	5.60	-60.40
C[N@@H+]1CC=CCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028584994	0	55	0.0	-71.96	408.07	5.23	-66.73
C[N@H+]1CC=CCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028584994	1	55	0.0	-71.96	408.07	5.23	-66.73
CC1=CC(C=CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)=CN=C1N	REAL300028585042	0	54	0.0	-70.01	420.99	4.12	-65.89
CC1=CC(C=CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)=C[NH+]=C1N	REAL300028585042	1	54	0.0	-70.01	420.99	4.12	-65.89
C[NH+](C)CCOCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028585054	0	54	0.0	-69.29	412.76	4.25	-65.04
CCCCC[N@H+](C)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028585060	0	62	0.0	-72.53	461.48	6.70	-65.83
CCCCC[N@@H+](C)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028585060	1	62	0.0	-72.53	461.48	6.70	-65.83
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)O1	REAL300028585071	0	58	0.0	-69.74	432.07	4.97	-64.77
CC1(C)CN(C(=O)CN2C=CSC2=[NH2+])CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585095	0	47	0.0	-65.22	383.95	3.31	-61.91
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028585164	0	57	0.0	-70.81	429.31	4.73	-66.08
CC1(C)CN(C(=O)CC[NH+]2CCCCCC2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585202	0	60	0.0	-71.97	430.91	5.80	-66.17
CC1(C)CN(C(=O)C[NH+]2CCCCC2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585206	0	54	0.0	-68.88	398.63	5.00	-63.88
C[N@@H+]1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)C1	REAL300028585208	0	54	0.0	-72.52	401.45	4.67	-67.85
C[N@H+]1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)C1	REAL300028585208	1	54	0.0	-68.13	390.81	4.55	-63.58
CC1(C)CN(C(=O)C[NH+]2CCC(CO)CC2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585209	0	58	0.0	-70.97	430.63	2.30	-68.67
CC1(C)CN(C(=O)C[NH+]2CCCCCC2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585210	0	57	0.0	-68.53	408.00	5.16	-63.37
CN1C=C[N+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)=C1	REAL300028585215	0	49	0.0	-66.80	388.10	6.62	-60.18
C[NH+](C)CC1=CC=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)O1	REAL300028585231	1	54	0.0	-72.93	417.30	4.79	-68.14
CC1(C)CN(C(=O)C[NH+]2CCC(O)CC2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585247	1	55	0.0	-73.65	410.03	1.65	-72.00
C[N@@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1)C1CC1	REAL300028585252	1	51	0.0	-67.05	386.30	4.54	-62.51
CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1)N1CC[NH+](C)CC1	REAL300028585254	1	59	0.0	-68.24	424.22	2.66	-65.58
CC1(C)CN(C(=O)CC[N@H+]2CCC(F)C2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585256	1	54	0.0	-74.08	411.08	4.98	-69.10
COC1C[N@@H+](C)C(C)(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)C1	REAL300028585266	1	58	0.0	-64.48	421.58	3.01	-61.47
CC(CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1)C[NH+](C)C	REAL300028585283	0	56	0.0	-70.97	413.88	5.17	-65.80
CC1(C)CN(C(=O)C2CC[N@@H+]3CCOCC23)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585298	0	56	0.0	-72.14	412.69	3.28	-68.86
CC1(C)CN(C(=O)C2CC[N@H+]3CCOCC23)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585298	1	56	0.0	-68.48	402.89	2.98	-65.50
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(NC(=O)C4=CC(=O)[N-]O4)C(C)(C)C3)=CN21	REAL300028585303	0	52	0.0	-66.59	413.01	6.27	-60.32
CN1CCOCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028585317	0	55	0.0	-74.79	407.47	2.99	-71.80
C[N@@H+]1CCOCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028585317	1	55	0.0	-66.45	400.03	2.84	-63.61
C[N@H+]1CCOCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028585317	1	55	0.0	-74.79	407.47	2.99	-71.80
CC[NH+]1CCN(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)CC1	REAL300028585325	0	59	0.0	-68.36	433.65	3.30	-65.06
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028585377	1	50	0.0	-67.94	389.45	2.38	-65.56
CC1(C)CN(C(=O)CCC2=CC=C(N)[NH+]=C2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585380	0	53	0.0	-67.82	415.88	3.66	-64.16
CC1(O)CC[N@@H+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)C1	REAL300028585419	1	55	0.0	-69.76	413.48	1.55	-68.21
C[NH+]1CC(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)C1	REAL300028585453	0	51	0.0	-70.64	388.19	4.00	-66.64
CC1(C)CN(C(=O)C2CC[N@H+]2C2CCCC2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585458	1	58	0.0	-68.63	426.53	5.82	-62.81
C[NH+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028585466	0	47	0.0	-70.06	356.88	3.13	-66.93
C[N@H+](CCO)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028585494	0	54	0.0	-70.74	407.31	1.16	-69.58
C[N@@H+](CCO)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028585494	1	54	0.0	-70.28	407.32	1.16	-69.12
C[C@@H](C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1)[NH+](C)C	REAL300028585495	0	50	0.0	-67.37	373.64	3.52	-63.85
C[N@@H+]1CCCCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028585515	0	57	0.0	-71.13	416.09	5.35	-65.78
C[N@H+]1CCCCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028585515	1	57	0.0	-63.60	408.65	5.23	-58.37
CC1=C2C=C(C(=O)N3CCC(NC(=O)C4=CC(=O)[N-]O4)C(C)(C)C3)C=CN2C=[NH+]1	REAL300028585535	1	52	0.0	-69.64	413.63	7.09	-62.55
CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1)[NH+]1CC(C)C1	REAL300028585536	0	54	0.0	-66.67	403.99	4.66	-62.01
CC1CCN1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028585540	0	51	0.0	-66.97	383.26	3.99	-62.98
CC1CC[N@@H+]1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028585540	1	51	0.0	-68.15	388.18	4.19	-63.96
CC1CC[N@H+]1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028585540	1	51	0.0	-66.97	383.26	3.99	-62.98
C[NH+](C)CC=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028585553	0	51	0.0	-73.04	393.04	4.40	-68.64
CC1(C)C[NH+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)C1	REAL300028585566	1	54	0.0	-69.36	407.42	4.77	-64.59
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)N1	REAL300028585584	1	55	0.0	-64.43	428.10	4.50	-59.93
CC1=C2C=C(C(=O)N3CCC(NC(=O)C4=CC(=O)[N-]O4)C(C)(C)C3)C=CN2C=[NH+]1	REAL300028585595	1	52	0.0	-69.64	413.63	7.09	-62.55
C[NH+](C)CCSCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028585604	0	54	0.0	-73.66	423.78	5.16	-68.50
CC1(C)CN(C(=O)C[N@H+]2CCCC2CO)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585629	1	55	0.0	-68.34	406.55	1.20	-67.14
CC[NH+](CC)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028585633	0	53	0.0	-67.57	392.93	4.48	-63.09
C[N@@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1)C1CCSC1	REAL300028585643	1	55	0.0	-74.38	416.14	5.37	-69.01
CC1(C)CN(C(=O)C[NH+]2CCC2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585645	1	48	0.0	-69.51	367.18	3.60	-65.91
CC[NH+](CC)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028585691	0	56	0.0	-69.83	414.84	5.09	-64.74
C[NH+](C)CC1=CNC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)=C1	REAL300028585753	0	55	0.0	-72.01	420.12	4.64	-67.37
CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1)[NH+]1CCC(O)CC1	REAL300028585770	0	58	0.0	-69.71	425.47	1.97	-67.74
CC1(C)CN(C(=O)C2CC3COCC[N@@H+]3C2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585776	0	56	0.0	-70.88	412.59	3.29	-67.59
CC1(C)CN(C(=O)C2CC3COCC[N@H+]3C2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585776	1	56	0.0	-70.82	412.35	3.28	-67.54
CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1)[NH+]1CCC1	REAL300028585790	1	51	0.0	-66.45	370.99	3.53	-62.92
CCC(CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1)C[NH+](C)C	REAL300028585796	0	59	0.0	-71.29	428.26	5.63	-65.66
CC1(C)CN(C(=O)C=CC2=CC=C(N)[NH+]=C2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585803	0	51	0.0	-71.00	403.20	3.37	-67.63
C[NH+](C)CC(C)(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028585804	0	56	0.0	-70.09	395.90	4.91	-65.18
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028585862	0	54	0.0	-68.27	389.52	4.35	-63.92
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028585862	1	54	0.0	-64.97	397.37	4.71	-60.26
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028585876	0	57	0.0	-70.73	406.11	1.70	-69.03
CC1CN2CC[N@H+]1CC2C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028585876	1	57	0.0	-72.60	406.40	1.73	-70.87
C[NH+](C)CC(O)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028585897	0	54	0.0	-73.97	409.49	2.19	-71.78
C[NH+]1C2CCC1CC(C(=O)N1CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C1)C2	REAL300028585900	0	58	0.0	-65.77	401.83	4.84	-60.93
C=CCC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1)[NH+](C)C	REAL300028585932	0	54	0.0	-67.44	400.67	4.65	-62.79
CC1(C)CN(C(=O)C2CC3CCCC[N@@H+]3C2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585940	0	58	0.0	-67.59	421.50	5.65	-61.94
CC1(C)CN(C(=O)C2CC3CCCC[N@H+]3C2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585940	1	58	0.0	-69.36	420.50	5.65	-63.71
C[NH+]1CCC(C)(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)CC1	REAL300028585951	0	57	0.0	-68.96	405.27	4.63	-64.33
C[NH+]1CCC(O)(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)CC1	REAL300028585953	0	58	0.0	-68.07	424.57	3.58	-64.49
CC1=C2C=C(C(=O)NC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3(C)C)C=CN2C=[NH+]1	REAL300028586029	1	52	0.0	-74.28	406.36	7.07	-67.21
C[NH+](C)CCSCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1(C)C	REAL300028586038	0	54	0.0	-76.36	420.88	4.92	-71.44
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CCC1NC(=O)C1CC2COCC[N@@H+]2C1	REAL300028586046	0	56	0.0	-72.81	412.64	3.20	-69.61
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CCC1NC(=O)C1CC2COCC[N@H+]2C1	REAL300028586046	1	56	0.0	-69.72	412.17	3.21	-66.51
C[N@@H+]1CCCC1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028586209	0	51	0.0	-68.76	381.46	1.68	-67.08
C[N@H+]1CCCC1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028586209	1	51	0.0	-73.57	385.74	1.72	-71.85
C[N@@H+]1CCOC(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028586233	1	52	0.0	-78.01	393.55	1.19	-76.82
C[N@H+]1CCOC(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028586233	1	52	0.0	-78.36	387.21	1.01	-77.35
CC(C)[N@@H+]1CCCC1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028586385	0	57	0.0	-67.38	420.53	2.85	-64.53
CC(C)[N@H+]1CCCC1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028586385	1	57	0.0	-66.39	419.32	2.84	-63.55
CC1=[NH+]C=CN1CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028586415	1	49	0.0	-67.96	389.55	2.53	-65.43
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3C[NH+]4CCC3CC4)CC2)C1	REAL300028586438	0	55	0.0	-74.21	397.63	2.43	-71.78
C[C@@H]1[C@H](C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@@H+]1C	REAL300028586471	0	54	0.0	-76.40	396.74	1.90	-74.50
C[C@@H]1[C@H](C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@H+]1C	REAL300028586471	1	54	0.0	-75.08	403.57	2.07	-73.01
CC[C@@H]1[C@@H](C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@@H+]1C	REAL300028586473	0	57	0.0	-76.49	420.66	2.65	-73.84
CC[C@@H]1[C@@H](C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@H+]1C	REAL300028586473	1	57	0.0	-72.28	419.01	2.80	-69.48
CC[N@@H+]1CCOC(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028586479	1	55	0.0	-80.86	418.31	2.13	-78.73
CC[N@H+]1CCOC(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028586479	1	55	0.0	-81.03	417.83	2.07	-78.96
CC[NH+](CC)CC(F)C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028586505	0	56	0.0	-77.05	417.49	2.56	-74.49
CC1CCC(C)[NH+]1CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028586538	0	57	0.0	-67.89	418.25	2.93	-64.96
O=C(CCC[NH+]1CCCC1)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028586541	0	57	0.0	-72.59	429.39	3.44	-69.15
O=C(CC[NH+]1CCCCC1)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028586544	0	57	0.0	-72.88	425.13	3.43	-69.45
CC[N@@H+]1CCCCC1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028586547	0	57	0.0	-68.03	418.25	3.07	-64.96
CC[N@H+]1CCCCC1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028586547	1	57	0.0	-70.89	414.21	2.95	-67.94
C[NH+](C)C1(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CCC1	REAL300028586557	0	54	0.0	-70.02	385.35	1.92	-68.10
CC(C)[C@@H](C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300028586564	0	56	0.0	-73.20	406.99	2.90	-70.30
C[N@H+](CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCC1	REAL300028586588	0	54	0.0	-69.28	407.28	2.92	-66.36
C[N@@H+](CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCC1	REAL300028586588	1	54	0.0	-70.07	407.39	2.93	-67.14
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028586654	1	53	0.0	-69.04	406.56	2.58	-66.46
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028586654	1	53	0.0	-71.99	415.98	3.31	-68.68
C[N@@H+]1CCCC1CCC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028586659	0	57	0.0	-78.52	435.04	3.67	-74.85
C[N@H+]1CCCC1CCC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028586659	1	57	0.0	-72.92	428.70	3.25	-69.67
C[NH+]1CCC(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300028586677	0	54	0.0	-76.51	405.15	2.52	-73.99
C[N@@H+]1CCCCC1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028586712	0	54	0.0	-69.31	400.60	2.44	-66.87
C[N@H+]1CCCCC1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028586712	1	54	0.0	-72.20	393.29	2.21	-69.99
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)CC2)C1	REAL300028586776	0	49	0.0	-76.22	395.93	4.30	-71.92
O=C(CC[NH+]1CCOCC1)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028586782	1	55	0.0	-76.47	416.40	1.00	-75.47
CC1=C[NH+]=CN1CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028586795	1	49	0.0	-74.08	397.03	3.53	-70.55
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1	REAL300028586814	0	55	0.0	-66.84	399.33	2.29	-64.55
C[N@@H+]1CCC(CC(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028586823	0	54	0.0	-75.23	407.88	2.48	-72.75
C[N@H+]1CCC(CC(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028586823	1	54	0.0	-77.70	414.12	2.78	-74.92
CCC(C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300028586830	0	53	0.0	-68.71	391.15	1.96	-66.75
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)CC2)C1	REAL300028586857	1	49	0.0	-78.85	401.90	4.58	-74.27
C[NH+](C)CCCCC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028586887	0	56	0.0	-74.21	426.52	3.14	-71.07
CC(C)C(C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300028586899	0	56	0.0	-69.57	402.26	2.33	-67.24
CCC[N@H+](C)CCC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028586900	0	56	0.0	-74.22	422.74	2.96	-71.26
CCC[N@@H+](C)CCC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028586900	1	56	0.0	-74.08	422.74	2.94	-71.14
CCC[N@H+](C)CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028586904	0	53	0.0	-71.62	400.38	2.36	-69.26
CCC[N@@H+](C)CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028586904	1	53	0.0	-71.81	400.38	2.35	-69.46
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C34CC[N@H+](C3)CCC4)CC2)C1	REAL300028586918	0	55	0.0	-72.17	395.70	1.69	-70.48
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C34CC[N@@H+](C3)CCC4)CC2)C1	REAL300028586918	1	55	0.0	-74.04	394.79	1.80	-72.24
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028586944	0	51	0.0	-68.76	379.88	1.37	-67.39
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028586944	1	51	0.0	-68.28	382.57	1.70	-66.58
CC[NH+](CC)CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028586978	0	53	0.0	-70.02	392.74	2.03	-67.99
CC1CC[NH+](CC(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300028587038	0	57	0.0	-71.89	423.71	3.42	-68.47
C[NH+](C)CC1(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300028587059	0	54	0.0	-73.34	415.03	2.75	-70.59
C[NH+]1CCC(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300028587111	0	54	0.0	-76.51	405.15	2.52	-73.99
CC(C)[C@H](C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300028587127	0	56	0.0	-73.09	410.00	2.74	-70.35
CCC(C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](CC)CC	REAL300028587155	0	59	0.0	-65.02	421.94	3.08	-61.94
CC[N@H+](C)CCC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587190	0	53	0.0	-73.49	401.25	2.23	-71.26
CC[N@@H+](C)CCC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587190	1	53	0.0	-73.32	401.25	2.22	-71.10
CC1CCC[N@@H+]1CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587217	0	54	0.0	-68.78	406.31	2.71	-66.07
CC1CCC[N@H+]1CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587217	1	54	0.0	-68.99	406.62	2.72	-66.27
CC1CC[N@H+](CC(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028587219	0	54	0.0	-70.89	406.30	2.61	-68.28
CC1CC[N@@H+](CC(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028587219	1	54	0.0	-74.22	413.31	2.90	-71.32
CC1(C)CC[N@H+](CC(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028587223	0	57	0.0	-70.91	425.72	3.17	-67.74
CC1(C)CC[N@@H+](CC(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028587223	1	57	0.0	-74.41	432.36	3.41	-71.00
C[N@H+](CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)CC(C)(C)C	REAL300028587224	0	59	0.0	-71.46	428.98	3.35	-68.11
C[N@@H+](CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)CC(C)(C)C	REAL300028587224	1	59	0.0	-71.61	430.94	3.50	-68.11
CC[C@@H](C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300028587232	0	53	0.0	-70.93	392.00	2.01	-68.92
C[NH+](C)CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587328	0	47	0.0	-72.10	361.13	0.93	-71.17
O=C(C[NH+]1CCCCCC1)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587331	0	57	0.0	-71.33	412.31	3.00	-68.33
CN1C=C[N+](CC(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=C1	REAL300028587334	0	49	0.0	-69.97	392.38	4.45	-65.52
C[N@@H+]1CCCC(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028587338	0	54	0.0	-80.87	411.69	2.67	-78.20
C[N@H+]1CCCC(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028587338	1	54	0.0	-65.91	396.23	2.47	-63.44
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3CCC[N@@H+]3C3CC3)CC2)C1	REAL300028587343	0	55	0.0	-71.79	413.38	2.75	-69.04
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3CCC[N@H+]3C3CC3)CC2)C1	REAL300028587343	1	55	0.0	-66.71	413.91	3.04	-63.67
CC(C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+]1CCC1	REAL300028587358	0	51	0.0	-70.22	388.28	1.78	-68.44
CCC(CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C[NH+](C)C	REAL300028587362	0	59	0.0	-66.31	436.66	3.61	-62.70
C[NH+](C)CC(C)(C)C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587367	0	56	0.0	-68.27	393.64	2.39	-65.88
O=C(C[NH+]1CCC(O)CC1)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587380	1	55	0.0	-75.45	413.96	-0.55	-76.00
C[N@H+](CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC1	REAL300028587381	0	51	0.0	-68.48	390.41	2.34	-66.14
C[N@@H+](CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC1	REAL300028587381	1	51	0.0	-69.46	390.57	2.34	-67.12
C[NH+]1CC(CC(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028587396	0	51	0.0	-73.65	392.42	1.81	-71.84
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587407	0	57	0.0	-68.13	421.86	2.46	-65.67
CC(C)(C)[N@H+]1CCC1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587407	1	57	0.0	-71.31	409.55	2.11	-69.20
C[C@@H](C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300028587418	0	50	0.0	-72.98	384.11	1.60	-71.38
[NH2+]=C1SC=CN1CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587475	0	47	0.0	-70.86	394.34	1.38	-69.48
C[N@H+](CCO)CCC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587482	0	54	0.0	-72.72	411.56	-1.00	-73.72
C[N@@H+](CCO)CCC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587482	1	54	0.0	-73.14	411.59	-1.02	-74.16
C[C@@H](C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300028587483	0	50	0.0	-72.98	384.11	1.60	-71.38
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587487	0	54	0.0	-72.08	396.95	2.16	-69.92
C[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587487	1	54	0.0	-66.98	401.48	2.53	-64.45
O=C(C[NH+]1CCC1)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587537	1	48	0.0	-71.72	371.24	1.36	-70.36
C[N@@H+]1CCC(=CC(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028587554	0	52	0.0	-75.26	399.23	2.37	-72.89
C[N@H+]1CCC(=CC(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028587554	1	52	0.0	-74.79	399.24	2.38	-72.41
C[NH+](C)CCOCC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587575	0	54	0.0	-71.18	417.00	2.07	-69.11
C=CCC(C)(C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300028587589	0	57	0.0	-64.82	406.04	2.35	-62.47
C[S+](C)CCC(O)C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587593	0	53	0.0	-81.76	422.37	0.38	-81.38
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587612	0	55	0.0	-70.46	405.26	-1.63	-72.09
CC1CN(CC(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028587630	0	51	0.0	-74.99	398.54	2.29	-72.70
CC1C[NH+](CC(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028587630	1	51	0.0	-74.99	398.54	2.29	-72.70
CN(CCO)CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587648	0	51	0.0	-72.81	389.23	-1.63	-74.44
C[N@H+](CCO)CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587648	1	51	0.0	-71.56	389.00	-1.62	-73.18
C[N@@H+](CCO)CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587648	1	51	0.0	-71.56	389.00	-1.62	-73.18
CC[N@@H+]1CCCC(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028587668	0	57	0.0	-66.62	419.47	3.48	-63.14
CC[N@H+]1CCCC(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028587668	1	57	0.0	-66.62	419.47	3.48	-63.14
CC(CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C[NH+](C)C	REAL300028587670	0	56	0.0	-73.94	418.32	3.00	-70.94
CC[N@H+](C)CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587675	0	50	0.0	-74.67	385.00	1.85	-72.82
CC[N@H+](CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC1	REAL300028587707	0	54	0.0	-68.50	407.18	2.93	-65.57
CC[NH+](CC)CCC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587717	0	56	0.0	-72.71	414.75	2.64	-70.07
CC1(C)CN(CC(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028587734	0	54	0.0	-75.21	417.85	2.81	-72.40
CC1(C)C[NH+](CC(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028587734	1	54	0.0	-75.21	417.85	2.81	-72.40
CC1(O)CC[N@H+](CC(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028587752	0	55	0.0	-72.35	417.40	-0.68	-73.03
C[NH+](C)CC=CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587755	0	51	0.0	-77.37	397.26	2.19	-75.18
CC(OCC[NH+](C)C)C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587764	0	57	0.0	-74.25	432.93	2.50	-71.75
C[NH+](C)CCOCCC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587770	0	57	0.0	-72.66	437.98	1.79	-70.87
COCCN(C)CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587771	0	54	0.0	-71.20	411.26	0.78	-70.42
COCC[N@H+](C)CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587771	1	54	0.0	-72.98	411.48	0.77	-72.21
COCC[N@@H+](C)CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587771	1	54	0.0	-72.98	411.48	0.77	-72.21
C[NH+](C)C1(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CCCC1	REAL300028587791	0	57	0.0	-68.37	396.94	2.45	-65.92
CC(CCC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300028587793	0	56	0.0	-71.50	418.51	2.76	-68.74
CCN1CCC1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587799	0	51	0.0	-72.87	389.15	1.68	-71.19
CC[N@@H+]1CCC1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587799	1	51	0.0	-70.84	392.32	1.95	-68.89
CC[N@H+]1CCC1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587799	1	51	0.0	-70.84	392.32	1.95	-68.89
O=C(C[N@H+]1CCCC1CO)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587811	0	55	0.0	-70.87	410.59	-1.00	-71.87
C[NH+]1CCC(C)(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300028587832	0	57	0.0	-67.69	409.41	2.33	-65.36
C=CCC(C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300028587850	0	54	0.0	-68.45	402.41	2.32	-66.13
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587857	0	57	0.0	-69.10	426.47	2.98	-66.12
C[N@H+]1CC(C)(C)CC1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587857	1	57	0.0	-70.00	419.97	2.51	-67.49
C[NH+](C)CCCCCC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587859	0	59	0.0	-73.67	448.02	3.92	-69.75
O=C(C[NH+]1CC2CC2C1)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587864	0	52	0.0	-74.91	402.74	3.08	-71.83
CCCC(C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300028587879	0	56	0.0	-71.52	412.15	2.74	-68.78
C[NH+](C)C(C)(C)C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587882	0	53	0.0	-72.94	382.17	1.43	-71.51
C[N@@H+]1CCCCC1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587908	0	54	0.0	-69.31	400.60	2.44	-66.87
C[N@H+]1CCCCC1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587908	1	54	0.0	-72.20	393.29	2.21	-69.99
C[N@H+]1CC=C(CC(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300028587932	0	55	0.0	-71.33	420.08	3.30	-68.03
C[N@@H+]1CC=C(CC(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300028587932	1	55	0.0	-69.81	420.09	3.31	-66.50
O=C(C=CC[NH+]1CCCC1)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587968	0	55	0.0	-76.42	422.34	3.35	-73.07
C[NH+](C)C1(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300028587999	0	51	0.0	-73.70	386.72	1.70	-72.00
O=C(CC[NH+]1CCCC1)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028588001	0	54	0.0	-72.90	409.45	2.72	-70.18
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3C[NH+]4CCN3CC4)CC2)C1	REAL300028588024	0	54	0.0	-79.95	394.18	-0.98	-80.93
C[N@@H+]1CC2CC1(C(=O)N1CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC1)C2	REAL300028588028	0	52	0.0	-74.95	388.25	2.01	-72.94
C[N@H+]1CC2CC1(C(=O)N1CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC1)C2	REAL300028588028	1	52	0.0	-74.12	387.74	2.05	-72.07
O=C(C[N@@H+]1CC2CCC1C2)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028588035	0	55	0.0	-70.85	405.24	2.83	-68.02
O=C(C[N@H+]1CC2CCC1C2)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028588035	1	55	0.0	-69.36	404.90	2.84	-66.52
O=C(C[N@@H+]1CC2C=CC1C2)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028588073	1	53	0.0	-71.00	406.10	3.06	-67.94
O=C(C[N@H+]1CC2C=CC1C2)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028588073	1	53	0.0	-69.83	400.34	2.93	-66.90
CC(C[NH+](C)C)C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028588105	0	53	0.0	-74.43	398.71	2.05	-72.38
C[N@@H+]1CCCCC1CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028588150	0	57	0.0	-66.53	412.98	3.04	-63.49
C[N@H+]1CCCCC1CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028588150	1	57	0.0	-63.97	412.90	3.06	-60.91
CC(C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+]1CC(C)C1	REAL300028588160	0	54	0.0	-72.36	416.25	2.69	-69.67
CC1CC[N@@H+]1CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028588162	1	51	0.0	-73.79	398.60	2.27	-71.52
CC1CC[N@H+]1CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028588162	1	51	0.0	-73.72	398.96	2.21	-71.51
C[NH+](C)CC(O)CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028588165	0	54	0.0	-76.73	413.63	0.02	-76.71
CC1C[N@H+](C)CC(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)O1	REAL300028588185	1	55	0.0	-83.15	408.49	1.91	-81.24
CC1C[N@@H+](C)CC(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)O1	REAL300028588185	1	55	0.0	-87.38	414.44	1.67	-85.71
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028588227	0	54	0.0	-74.26	410.07	2.67	-71.59
CC(CC[NH+](C)C)C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028588232	0	56	0.0	-74.71	420.37	2.69	-72.02
C[NH+]1CCN(CC(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300028588249	1	56	0.0	-74.97	426.29	0.68	-74.29
NC(=[NH2+])SCC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028588271	0	45	0.0	-73.65	369.66	-2.10	-75.75
C[NH+](C)CCC1(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300028588300	0	57	0.0	-74.26	440.17	3.59	-70.67
C[N@@H+]1CC=CCC1CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028588301	0	55	0.0	-68.88	413.27	3.23	-65.65
C[N@H+]1CC=CCC1CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028588301	1	55	0.0	-64.63	407.30	2.99	-61.64
C[C@@H](OCC[NH+](C)C)C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028588314	0	57	0.0	-68.83	432.36	2.49	-66.34
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028588398	0	51	0.0	-71.37	379.92	1.35	-70.02
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028588398	1	51	0.0	-71.37	379.92	1.35	-70.02
O=C(CC[N@H+]1CCC(F)C1)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028588404	0	54	0.0	-80.49	415.48	2.76	-77.73
CC1C(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@@H+]1C	REAL300028588423	0	54	0.0	-74.17	409.90	2.45	-71.72
CC1C(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@H+]1C	REAL300028588423	1	54	0.0	-74.17	409.90	2.45	-71.72
CN1CCOCC1CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028588452	0	55	0.0	-77.34	411.82	0.79	-76.55
C[N@@H+]1CCOCC1CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028588452	1	55	0.0	-78.29	411.91	0.67	-77.62
C[N@H+]1CCOCC1CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028588452	1	55	0.0	-78.29	411.91	0.67	-77.62
C[N@@H+]1CCCC1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028588622	0	51	0.0	-70.68	391.86	2.02	-68.66
C[N@H+]1CCCC1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028588622	1	51	0.0	-70.68	391.86	2.02	-68.66
CN1CCOC(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028588648	0	52	0.0	-72.40	385.74	0.93	-71.47
C[N@@H+]1CCOC(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028588648	1	52	0.0	-77.98	392.51	1.12	-76.86
C[N@H+]1CCOC(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028588648	1	52	0.0	-77.98	392.51	1.12	-76.86
O=C(CCN1CCOCC1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028588799	0	55	0.0	-72.03	415.31	0.82	-71.21
O=C(CC[NH+]1CCOCC1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028588799	1	55	0.0	-72.03	415.31	0.82	-71.21
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C34CCC[NH+]3CCC4)C2)CC1	REAL300028588810	0	55	0.0	-76.31	400.96	2.70	-73.61
O=C(C1=CC2=CN=CN2C=C1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028588816	0	49	0.0	-81.04	391.96	4.26	-76.78
O=C(C1=CC2=C[NH+]=CN2C=C1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028588816	1	49	0.0	-81.04	391.96	4.26	-76.78
C[N@@H+]1CCC(CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028588844	0	54	0.0	-71.72	406.66	2.44	-69.28
C[N@H+]1CCC(CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028588844	1	54	0.0	-71.72	406.66	2.44	-69.28
CCC(C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028588851	0	53	0.0	-65.48	389.13	1.74	-63.74
C[NH+](C)CCCCC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028588887	0	56	0.0	-71.63	425.41	2.94	-68.69
CC(C)C(C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028588901	0	56	0.0	-66.37	403.79	2.31	-64.06
CCC[N@H+](C)CCC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028588902	0	56	0.0	-70.32	421.71	2.69	-67.63
CCC[N@@H+](C)CCC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028588902	1	56	0.0	-70.13	421.71	2.66	-67.47
CCC[N@H+](C)CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028588906	0	53	0.0	-73.39	405.38	2.60	-70.79
CCC[N@@H+](C)CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028588906	1	53	0.0	-68.56	399.49	2.34	-66.22
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C34CC[N@H+](C3)CCC4)C2)CC1	REAL300028588920	0	55	0.0	-74.26	396.46	1.79	-72.47
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C34CC[N@@H+](C3)CCC4)C2)CC1	REAL300028588920	1	55	0.0	-73.48	403.13	2.21	-71.27
CC1CC[NH+](CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300028588953	0	57	0.0	-67.23	422.68	3.19	-64.04
C[NH+](C)CC1(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300028588993	0	54	0.0	-78.81	411.65	2.84	-75.97
CC[N@H+](C)CCC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028589012	0	53	0.0	-69.69	400.21	1.94	-67.75
CC[N@@H+](C)CCC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028589012	1	53	0.0	-69.53	400.21	1.94	-67.59
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C3C[NH+]4CCC3CC4)C2)CC1	REAL300028589026	0	55	0.0	-80.66	404.31	2.83	-77.83
C[NH+]1CCC(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300028589073	0	54	0.0	-72.96	402.24	2.37	-70.59
CC(C)[C@H](C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028589089	0	56	0.0	-72.16	411.03	2.86	-69.30
CC[NH+](CC)CC(F)C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028589144	0	56	0.0	-66.74	421.15	2.67	-64.07
C[NH+](C)C1(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CCC1	REAL300028589162	0	54	0.0	-75.98	396.19	2.28	-73.70
CCC(C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](CC)CC	REAL300028589190	0	59	0.0	-61.70	422.07	3.03	-58.67
CC1CCC[N@@H+]1CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028589201	0	54	0.0	-64.82	398.70	2.16	-62.66
CC1CCC[N@H+]1CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028589201	1	54	0.0	-64.90	404.70	2.48	-62.42
CC(C)[N@@H+]1CCCC1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028589241	0	57	0.0	-63.83	417.91	2.88	-60.95
CC(C)[N@H+]1CCCC1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028589241	1	57	0.0	-70.97	416.78	3.59	-67.38
CC(C)[C@@H](C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028589249	0	56	0.0	-71.85	408.91	3.13	-68.72
CC1CC[N@H+](CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028589262	0	54	0.0	-66.88	405.82	2.52	-64.36
CC1CC[N@@H+](CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028589262	1	54	0.0	-66.64	405.46	2.46	-64.18
CC1(C)CC[N@H+](CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028589266	0	57	0.0	-67.13	425.28	3.03	-64.10
CC1(C)CC[N@@H+](CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028589266	1	57	0.0	-66.84	425.27	3.05	-63.79
C[N@H+](CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)CC(C)(C)C	REAL300028589267	0	59	0.0	-68.28	428.82	3.38	-64.90
C[N@@H+](CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)CC(C)(C)C	REAL300028589267	1	59	0.0	-67.94	430.29	3.39	-64.55
CC[C@@H](C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028589275	0	53	0.0	-72.00	398.91	2.36	-69.64
CC1=[NH+]C=CN1CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028589381	1	49	0.0	-64.86	388.50	2.29	-62.57
CC[N@@H+]1CCOC(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028589438	1	55	0.0	-73.35	403.92	1.49	-71.86
CC[N@H+]1CCOC(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028589438	1	55	0.0	-76.31	410.57	1.75	-74.56
O=C(C1=CN2C=[NH+]C=C2C=C1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028589467	0	49	0.0	-70.80	386.31	3.89	-66.91
CC1=C[NH+]=CN1CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028589470	1	49	0.0	-68.98	390.01	3.27	-65.71
C[C@@H]1[C@H](C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@@H+]1C	REAL300028589476	0	54	0.0	-78.30	402.59	2.15	-76.15
C[C@@H]1[C@H](C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@H+]1C	REAL300028589476	1	54	0.0	-70.65	402.10	2.06	-68.59
CC[C@@H]1[C@@H](C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@@H+]1C	REAL300028589478	0	57	0.0	-70.22	411.97	2.32	-67.90
CC[C@@H]1[C@@H](C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@H+]1C	REAL300028589478	1	57	0.0	-68.26	417.18	2.86	-65.40
CC1CCC(C)[NH+]1CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028589485	0	57	0.0	-63.03	417.25	2.68	-60.35
O=C(CCC[NH+]1CCCC1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028589488	0	57	0.0	-69.37	429.88	3.35	-66.02
O=C(CC[NH+]1CCCCC1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028589492	0	57	0.0	-68.86	424.11	3.15	-65.71
CC[N@@H+]1CCCCC1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028589495	0	57	0.0	-64.51	406.39	2.63	-61.88
CC[N@H+]1CCCCC1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028589495	1	57	0.0	-63.54	419.12	3.01	-60.53
C[N@H+](CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CCC1	REAL300028589586	0	54	0.0	-65.47	406.36	2.71	-62.76
C[N@@H+](CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CCC1	REAL300028589586	1	54	0.0	-66.74	406.38	2.89	-63.85
C[NH+]1CCC(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300028589615	0	54	0.0	-72.96	402.24	2.37	-70.59
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028589643	0	51	0.0	-66.00	379.61	1.31	-64.69
C[N@H+]1CCC[C@@H]1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028589643	1	51	0.0	-65.58	383.67	1.78	-63.80
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028589661	1	53	0.0	-65.45	405.63	2.49	-62.96
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028589661	1	53	0.0	-66.05	412.16	3.00	-63.05
C[N@@H+]1CCCC1CCC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028589666	0	57	0.0	-71.64	427.88	3.33	-68.31
C[N@H+]1CCCC1CCC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028589666	1	57	0.0	-69.11	421.95	2.84	-66.27
C[N@@H+]1CCCCC1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028589737	0	54	0.0	-66.38	388.71	2.02	-64.36
C[N@H+]1CCCCC1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028589737	1	54	0.0	-70.26	407.84	2.73	-67.53
CC1C(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@@H+]1C	REAL300028589793	0	54	0.0	-73.36	396.60	1.80	-71.56
CC1C(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@H+]1C	REAL300028589793	1	54	0.0	-73.46	406.53	2.34	-71.12
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028589848	0	57	0.0	-64.86	402.40	1.82	-63.04
CC(C)(C)[N@H+]1CCC1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028589848	1	57	0.0	-64.96	403.70	2.01	-62.95
C[C@@H](C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028589862	0	50	0.0	-72.02	384.79	1.51	-70.51
C=CCC(C)(C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028589876	0	57	0.0	-67.80	406.22	2.78	-65.02
O=C(CC[NH+]1CCCC1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028589893	0	54	0.0	-69.08	407.97	2.44	-66.64
C[N@H+](CCO)CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028589902	1	51	0.0	-69.23	388.34	-1.65	-70.88
C[N@@H+](CCO)CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028589902	1	51	0.0	-74.06	394.34	-1.43	-75.49
C[N@H+]1CC=C(CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300028589957	0	55	0.0	-69.81	419.24	3.04	-66.77
C[N@@H+]1CC=C(CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300028589957	1	55	0.0	-71.47	425.50	3.35	-68.12
C[S+](C)CCC(O)C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028589967	0	53	0.0	-75.81	420.42	0.28	-75.53
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028589980	0	55	0.0	-66.76	404.78	-1.51	-68.27
C[N@H+]1CC(O)CC1(C)C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028589980	1	55	0.0	-80.25	407.54	-0.91	-81.16
CC1C[NH+](CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028590008	1	51	0.0	-67.57	390.40	1.88	-65.69
CC[N@@H+]1CCCC(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028590014	0	57	0.0	-72.28	419.75	2.90	-69.38
CC[N@H+]1CCCC(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028590014	1	57	0.0	-73.12	424.01	3.07	-70.05
NC1=[NH+]C=CC=C1CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590018	0	50	0.0	-65.05	394.35	0.52	-64.53
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C3CCC[N@@H+]3C3CC3)C2)CC1	REAL300028590026	0	55	0.0	-63.39	414.74	3.21	-60.18
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C3CCC[N@H+]3C3CC3)C2)CC1	REAL300028590026	1	55	0.0	-73.12	418.36	3.01	-70.11
O=C(C=CC[NH+]1CCCC1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590054	0	55	0.0	-72.43	422.28	3.10	-69.33
CC[N@H+](C)CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590098	0	50	0.0	-68.26	377.99	1.60	-66.66
O=C(CN1CC2C=CC1C2)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590131	0	53	0.0	-64.46	398.60	2.67	-61.79
O=C(C[N@@H+]1CC2C=CC1C2)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590131	1	53	0.0	-71.24	405.73	2.98	-68.26
O=C(C[N@H+]1CC2C=CC1C2)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590131	1	53	0.0	-71.24	405.73	2.98	-68.26
CC(OCC[NH+](C)C)C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590213	0	57	0.0	-69.90	432.11	2.41	-67.49
C[NH+](C)CCOCCC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590220	0	57	0.0	-70.21	436.87	1.60	-68.61
COCCN(C)CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590222	0	54	0.0	-73.78	416.60	0.98	-72.80
COCC[N@H+](C)CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590222	1	54	0.0	-68.60	410.45	0.55	-68.05
COCC[N@@H+](C)CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590222	1	54	0.0	-68.60	410.45	0.55	-68.05
CC(CCC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028590225	0	56	0.0	-70.71	413.55	2.52	-68.19
CC[N@H+](CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300028590240	0	54	0.0	-65.66	401.54	2.60	-63.06
C[N@@H+]1CC2CC1(C(=O)N1CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C1)C2	REAL300028590266	0	52	0.0	-69.30	385.53	2.00	-67.30
O=C(C[N@@H+]1CC2CCC1C2)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590275	0	55	0.0	-71.03	413.33	3.14	-67.89
O=C(C[N@H+]1CC2CCC1C2)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590275	1	55	0.0	-71.03	413.33	3.14	-67.89
CC(C[NH+](C)C)C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590289	0	53	0.0	-65.99	395.29	2.05	-63.94
CCN1CCC1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590324	0	51	0.0	-64.98	384.39	1.52	-63.46
CC[N@@H+]1CCC1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590324	1	51	0.0	-68.07	392.16	1.85	-66.22
CC[N@H+]1CCC1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590324	1	51	0.0	-68.07	392.16	1.85	-66.22
CCC(C)(C)[NH2+]C(C)C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590334	0	59	0.0	-67.05	424.91	1.57	-65.48
CCCC(C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028590368	0	56	0.0	-66.60	410.68	2.56	-64.04
C[NH+](C)C(C)(C)C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590372	0	53	0.0	-70.83	382.42	1.34	-69.49
CC(CC[NH+](C)C)C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590385	0	56	0.0	-70.94	417.36	2.48	-68.46
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590439	0	57	0.0	-72.08	425.64	2.62	-69.46
C[N@H+]1CC(C)(C)CC1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590439	1	57	0.0	-72.08	425.64	2.62	-69.46
C[NH+](C)CCCCCC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590441	0	59	0.0	-71.57	446.91	3.72	-67.85
CN1CCN(CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300028590448	0	56	0.0	-74.45	425.38	0.49	-73.96
C[NH+]1CCN(CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300028590448	1	56	0.0	-74.45	425.38	0.49	-73.96
CC1CN(C)CC(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)O1	REAL300028590498	0	55	0.0	-78.18	407.88	1.87	-76.31
CC1C[N@H+](C)CC(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)O1	REAL300028590498	1	55	0.0	-73.34	407.66	1.71	-71.63
CC1C[N@@H+](C)CC(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)O1	REAL300028590498	1	55	0.0	-73.34	407.66	1.71	-71.63
C[N@@H+]1CCCCC1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590552	0	54	0.0	-70.26	407.84	2.73	-67.53
C[N@@H+]1CCC(=CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028590619	0	52	0.0	-76.14	404.47	2.71	-73.43
C[N@H+]1CCC(=CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028590619	1	52	0.0	-76.14	404.47	2.71	-73.43
O=C(CNC1=CC=[NH+]C=C1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590622	0	50	0.0	-68.44	395.65	0.07	-68.37
C[NH+](C)C1(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CCCC1	REAL300028590679	0	57	0.0	-78.28	415.33	3.25	-75.03
C[N@@H+]1CCC[C@H]1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590698	0	51	0.0	-68.24	378.96	1.29	-66.95
C[N@H+]1CCC[C@H]1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590698	1	51	0.0	-68.24	378.96	1.29	-66.95
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028590790	0	54	0.0	-67.94	409.33	2.52	-65.42
C[NH+](C)CCC1(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300028590799	0	57	0.0	-75.92	442.00	3.70	-72.22
C[N@@H+]1CC=CCC1CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590800	0	55	0.0	-67.12	412.52	3.22	-63.90
C[N@H+]1CC=CCC1CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590800	1	55	0.0	-67.12	412.52	3.22	-63.90
C[NH+](C)CCOCC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590833	0	54	0.0	-68.74	415.85	1.91	-66.83
[NH2+]=C1SC=CN1CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590860	0	47	0.0	-65.54	387.31	1.10	-64.44
C[C@@H](OCC[NH+](C)C)C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590898	0	57	0.0	-72.34	439.84	2.66	-69.68
C[N@@H+]1CCCC(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028590926	0	54	0.0	-71.97	410.37	2.67	-69.30
C[N@H+]1CCCC(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028590926	1	54	0.0	-71.97	410.37	2.67	-69.30
O=C(C[NH+]1CCCCCC1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590927	0	57	0.0	-65.99	410.90	2.84	-63.15
CN1C=C[N+](CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)=C1	REAL300028590930	0	49	0.0	-66.62	391.17	4.31	-62.31
O=C(CN1CCC(O)CC1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590951	0	55	0.0	-70.43	412.92	-0.78	-71.21
O=C(C[NH+]1CCC(O)CC1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590951	1	55	0.0	-70.43	412.92	-0.78	-71.21
C[N@H+](CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300028590952	0	51	0.0	-65.17	389.36	2.21	-62.96
O=C(CC[N@H+]1CCC(F)C1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590955	0	54	0.0	-77.69	421.13	2.93	-74.76
CC(CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C[NH+](C)C	REAL300028590975	0	56	0.0	-70.48	417.34	2.79	-67.69
CN1CCOCC1CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590994	0	55	0.0	-69.86	409.51	0.89	-68.97
C[N@@H+]1CCOCC1CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590994	1	55	0.0	-69.58	409.50	0.68	-68.90
C[N@H+]1CCOCC1CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590994	1	55	0.0	-69.58	409.50	0.68	-68.90
CC1=CC(N)=NC=C1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028591034	0	50	0.0	-67.29	388.63	-0.02	-67.31
CC1=CC(N)=[NH+]C=C1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028591034	1	50	0.0	-67.29	388.63	-0.02	-67.31
CC1(O)CC[N@H+](CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028591063	0	55	0.0	-68.19	416.59	-0.79	-68.98
C[NH+]1CC(CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028591090	0	51	0.0	-69.43	391.20	1.45	-67.98
C[N@H+](CCO)CCC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028591117	0	54	0.0	-69.68	410.56	-1.31	-70.99
C[N@@H+](CCO)CCC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028591117	1	54	0.0	-69.68	410.56	-1.31	-70.99
C[N@@H+]1CCCCC1CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028591133	0	57	0.0	-76.64	425.58	3.21	-73.43
C[N@H+]1CCCCC1CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028591133	1	57	0.0	-76.64	425.58	3.21	-73.43
CC1CCN1CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028591147	0	51	0.0	-66.70	386.86	1.71	-64.99
CC1CC[N@@H+]1CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028591147	1	51	0.0	-67.68	391.79	1.89	-65.79
CC1CC[N@H+]1CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028591147	1	51	0.0	-67.68	391.79	1.89	-65.79
C[NH+](C)CC=CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028591154	0	51	0.0	-74.00	397.20	1.95	-72.05
CC1(C)CN(CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028591160	0	54	0.0	-73.59	416.98	2.64	-70.95
CC1(C)C[NH+](CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028591160	1	54	0.0	-73.59	416.98	2.64	-70.95
C[NH+](C)CCSCC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028591180	0	54	0.0	-74.52	426.94	2.74	-71.78
O=C(C[N@H+]1CCCC1CO)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028591197	0	55	0.0	-64.43	405.85	-0.63	-65.06
CC[NH+](CC)CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028591201	0	53	0.0	-65.28	395.62	2.12	-63.16
O=C(CN1CCC1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028591210	0	48	0.0	-73.72	376.37	1.54	-72.18
O=C(C[NH+]1CCC1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028591210	1	48	0.0	-73.72	376.37	1.54	-72.18
CC[NH+](CC)CCC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028591240	0	56	0.0	-68.63	413.75	2.44	-66.19
CC(C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)N1CCC1	REAL300028591296	0	51	0.0	-73.72	385.13	1.88	-71.84
CC(C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+]1CCC1	REAL300028591296	1	51	0.0	-73.72	385.13	1.88	-71.84
CCC(CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C[NH+](C)C	REAL300028591301	0	59	0.0	-70.53	430.90	3.31	-67.22
C[NH+](C)CC(C)(C)C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028591307	0	56	0.0	-69.46	402.60	2.09	-67.37
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028591342	0	54	0.0	-64.75	401.33	2.37	-62.38
C[NH+](C)CC(O)CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028591366	0	54	0.0	-73.47	412.75	-0.18	-73.65
C=CCC(C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028591388	0	54	0.0	-64.58	402.50	2.26	-62.32
C[NH+]1CCC(C)(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300028591401	0	57	0.0	-73.03	416.87	2.62	-70.41
C[NH+](C)CCSCC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028591461	0	54	0.0	-77.15	428.03	2.95	-74.20
O=C(CN1CCC1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)CC1	REAL300028591568	0	55	0.0	-73.39	419.44	5.57	-67.82
O=C(C[NH+]1CCC1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)CC1	REAL300028591568	1	55	0.0	-73.39	419.44	5.57	-67.82
O=C(CN1CCC1)NCC1(C2=CC=CC=C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028591777	0	55	0.0	-68.56	416.14	5.46	-63.10
O=C(C[NH+]1CCC1)NCC1(C2=CC=CC=C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028591777	1	55	0.0	-68.56	416.14	5.46	-63.10
C[N@@H+]1CCCC1C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028591944	0	49	0.0	-65.80	372.95	0.10	-65.70
C[N@H+]1CCCC1C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028591944	1	49	0.0	-67.75	369.60	-0.20	-67.95
C[N@@H+]1CCOC(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028591968	1	50	0.0	-72.12	377.07	-0.66	-72.78
C[N@H+]1CCOC(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028591968	1	50	0.0	-71.33	376.18	-0.69	-72.02
CC(C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCCCC1	REAL300028592126	0	58	0.0	-64.61	415.58	1.63	-62.98
CC(C)[N@@H+]1CCCCC1C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028592128	0	58	0.0	-62.71	422.38	1.78	-60.93
CC(C)[N@H+]1CCCCC1C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028592128	1	58	0.0	-63.48	414.80	1.51	-61.97
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028592148	0	55	0.0	-64.49	406.65	1.23	-63.26
CC(C)[N@H+]1CCCC1C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028592148	1	55	0.0	-65.77	400.99	1.47	-64.30
O=C(NCC1(O)CCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC1)C1=CC(=O)[N-]O1	REAL300028592164	0	56	0.0	-69.04	414.63	1.79	-67.25
O=C(NCC1(O)CCN(C(=O)C2CC3CCCC[N@H+]3C2)CC1)C1=CC(=O)[N-]O1	REAL300028592164	1	56	0.0	-73.25	418.03	1.93	-71.32
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028592182	1	53	0.0	-64.64	416.96	2.00	-62.64
CC1=[NH+]C=CN1CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028592209	1	47	0.0	-66.22	379.56	0.84	-65.38
CC(C[NH+]1CCOCC1)C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028592210	0	56	0.0	-75.04	420.85	-0.14	-75.18
O=C(CCC[NH+]1CCCCC1)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028592225	0	58	0.0	-70.57	436.66	2.54	-68.03
CC(C)(C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCCC1	REAL300028592242	0	58	0.0	-68.11	413.97	1.82	-66.29
O=C(NCC1(O)CCN(C(=O)C2C[NH+]3CCC2CC3)CC1)C1=CC(=O)[N-]O1	REAL300028592250	0	53	0.0	-74.58	388.60	0.85	-73.73
O=C(NCC1(O)CCN(C(=O)C2CCCC3CCC[N@@H+]32)CC1)C1=CC(=O)[N-]O1	REAL300028592289	0	56	0.0	-62.19	415.87	1.99	-60.20
O=C(NCC1(O)CCN(C(=O)C2CCCC3CCC[N@H+]32)CC1)C1=CC(=O)[N-]O1	REAL300028592289	1	56	0.0	-62.64	416.01	1.99	-60.65
C[C@@H]1[C@H](C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300028592302	0	52	0.0	-76.12	386.83	0.30	-75.82
C[C@@H]1[C@H](C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300028592302	1	52	0.0	-71.54	392.50	0.60	-70.94
CC[C@@H]1[C@@H](C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300028592306	0	55	0.0	-70.68	407.82	0.95	-69.73
CC[C@@H]1[C@@H](C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300028592306	1	55	0.0	-68.73	408.62	1.25	-67.48
CC[N@@H+]1CCOC(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028592315	1	53	0.0	-75.95	401.76	0.17	-75.78
CC[N@H+]1CCOC(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028592315	1	53	0.0	-76.21	402.78	0.26	-75.95
CC[NH+](CC)CC(F)C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028592356	0	54	0.0	-70.16	413.11	1.24	-68.92
CC1CCC(C)[NH+]1CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028592416	0	55	0.0	-66.50	398.81	0.90	-65.60
O=C(CCC[NH+]1CCCC1)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028592422	0	55	0.0	-70.33	419.39	1.73	-68.60
C#CC[NH+]1CCC(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028592427	0	54	0.0	-78.75	420.21	2.10	-76.65
O=C(CC[NH+]1CCCCC1)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028592428	0	55	0.0	-70.43	415.18	1.74	-68.69
CC[N@@H+]1CCCCC1C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028592433	0	55	0.0	-66.57	401.34	1.20	-65.37
CC[N@H+]1CCCCC1C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028592433	1	55	0.0	-66.35	401.60	1.15	-65.20
CC(C)C[N@@H+]1CCC(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028592447	0	58	0.0	-69.76	432.49	2.10	-67.66
CC(C)C[N@H+]1CCC(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028592447	1	58	0.0	-72.54	434.96	2.25	-70.29
C[NH+](C)C1(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300028592450	0	52	0.0	-72.95	375.46	0.21	-72.74
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028592452	0	58	0.0	-63.37	421.44	1.49	-61.88
CC(C)[N@H+]1CCCC1CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028592452	1	58	0.0	-67.57	430.49	1.96	-65.61
CC(C)[C@@H](C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028592464	0	54	0.0	-67.33	390.24	0.77	-66.56
C[N@H+](CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300028592505	0	52	0.0	-67.30	397.24	1.31	-65.99
C[N@@H+](CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300028592505	1	52	0.0	-67.35	397.40	1.25	-66.10
CC(C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1C(C)CCC1C	REAL300028592558	0	58	0.0	-63.76	408.33	0.97	-62.79
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028592612	1	51	0.0	-68.30	396.35	1.02	-67.28
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028592612	1	51	0.0	-66.84	399.90	1.45	-65.39
C[N@@H+]1CCCC1CCC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028592617	0	55	0.0	-72.18	418.52	1.80	-70.38
C[N@H+]1CCCC1CCC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028592617	1	55	0.0	-72.31	414.86	1.70	-70.61
O=C(NCC1(O)CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1)C1=CC(=O)[N-]O1	REAL300028592626	0	56	0.0	-70.04	399.72	0.97	-69.07
O=C(NCC1(O)CCN(C(=O)C2CCC3CCCC[N@@H+]32)CC1)C1=CC(=O)[N-]O1	REAL300028592629	0	56	0.0	-64.71	410.83	1.74	-62.97
O=C(NCC1(O)CCN(C(=O)C2CCC3CCCC[N@H+]32)CC1)C1=CC(=O)[N-]O1	REAL300028592629	1	56	0.0	-63.59	415.00	2.01	-61.58
O=C(CCCC[NH+]1CCCC1)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028592645	0	58	0.0	-70.87	441.76	2.57	-68.30
C[NH+]1CCC(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028592656	0	52	0.0	-73.11	395.43	0.91	-72.20
C[NH+](C)CC1=CC(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)=NO1	REAL300028592688	1	51	0.0	-79.58	407.08	0.64	-78.94
CC1=C(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C=CC2=C[NH+]=CN21	REAL300028592689	0	50	0.0	-69.94	401.34	2.99	-66.95
C[N@@H+]1CCCCC1C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028592716	0	52	0.0	-66.63	380.51	0.30	-66.33
C[N@H+]1CCCCC1C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028592716	1	52	0.0	-68.17	383.54	0.49	-67.68
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028592736	0	58	0.0	-65.61	431.24	2.23	-63.38
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028592736	1	58	0.0	-66.24	422.45	2.41	-63.83
O=C(NCC1(O)CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC1)C1=CC(=O)[N-]O1	REAL300028592830	0	47	0.0	-71.54	385.88	2.65	-68.89
CC1=[NH+]C=CN1CCCC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028592838	1	53	0.0	-67.60	422.11	2.20	-65.40
O=C(CC[NH+]1CCOCC1)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028592842	1	53	0.0	-73.83	406.42	-0.67	-74.50
CC1=C[NH+]=CN1CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028592869	1	47	0.0	-68.94	379.87	1.57	-67.37
O=C(NCC1(O)CCN(C(=O)C23CCC[NH+]2CCC3)CC1)C1=CC(=O)[N-]O1	REAL300028592905	0	53	0.0	-64.20	388.93	0.67	-63.53
C[NH+](C)C1CCCC(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028592927	0	58	0.0	-66.52	419.79	1.73	-64.79
C[N@@H+]1CCC(CC(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028592930	0	52	0.0	-72.35	397.57	0.92	-71.43
C[N@H+]1CCC(CC(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028592930	1	52	0.0	-71.99	397.58	0.92	-71.07
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028592941	0	51	0.0	-77.65	403.97	-0.94	-78.59
CCC(C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028592946	0	51	0.0	-67.25	381.10	0.28	-66.97
C[NH+](C)C1(CC(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CCCC1	REAL300028592957	0	58	0.0	-71.88	415.01	1.80	-70.08
O=C(NCC1(O)CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC1)C1=CC(=O)[N-]O1	REAL300028592993	1	47	0.0	-76.48	386.11	2.69	-73.79
C[NH+](C)CCCCC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028593039	0	54	0.0	-71.99	416.53	1.44	-70.55
CC(C)C(C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028593058	0	54	0.0	-67.32	390.53	0.92	-66.40
CCC[N@H+](C)CCC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028593060	0	54	0.0	-71.78	412.75	1.27	-70.51
CCC[N@@H+](C)CCC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028593060	1	54	0.0	-71.76	412.76	1.26	-70.50
CCC[N@H+](C)CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028593065	0	51	0.0	-69.58	390.33	0.73	-68.85
CCC[N@@H+](C)CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028593065	1	51	0.0	-69.31	390.39	0.68	-68.63
O=C(NCC1(O)CCN(C(=O)C23CC[N@H+](C2)CCC3)CC1)C1=CC(=O)[N-]O1	REAL300028593086	0	53	0.0	-71.02	384.30	0.16	-70.86
O=C(NCC1(O)CCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1)C1=CC(=O)[N-]O1	REAL300028593086	1	53	0.0	-70.72	385.08	0.21	-70.51
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028593119	0	49	0.0	-67.62	369.70	-0.14	-67.76
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028593119	1	49	0.0	-66.02	372.66	0.05	-65.97
CCCCCC[N@H+](C)CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028593168	0	60	0.0	-70.79	454.82	3.08	-67.71
CCCCCC[N@@H+](C)CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028593168	1	60	0.0	-70.55	454.89	3.02	-67.53
CC[NH+](CC)C(C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1)C(C)C	REAL300028593172	0	60	0.0	-63.86	420.90	1.94	-61.92
CC[NH+](CC)CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028593180	0	51	0.0	-67.50	382.75	0.33	-67.17
CCC[N@@H+]1CCCC(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028593211	0	58	0.0	-65.23	425.36	2.28	-62.95
CCC[N@H+]1CCCC(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028593211	1	58	0.0	-72.34	434.32	2.21	-70.13
CC(C)[N@@H+]1CCOC(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028593226	1	56	0.0	-69.02	411.63	0.50	-68.52
CC(C)[N@H+]1CCOC(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028593226	1	56	0.0	-74.23	419.55	0.77	-73.46
CC1CC[NH+](CC(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028593254	0	55	0.0	-69.26	413.73	1.74	-67.52
C[NH+]1CCC(OCC(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028593279	0	56	0.0	-75.31	431.08	1.43	-73.88
C[NH+](C)CC1(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028593289	0	52	0.0	-71.39	385.75	0.86	-70.53
CC(C)[NH+]1CCC(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028593357	0	58	0.0	-73.76	425.71	1.84	-71.92
C[NH+]1CCC(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028593374	0	52	0.0	-73.11	395.43	0.91	-72.20
CC(C)[C@H](C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028593392	0	54	0.0	-70.10	394.34	0.88	-69.22
CCC(C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](CC)CC	REAL300028593422	0	57	0.0	-62.58	411.62	1.39	-61.19
CC[N@H+](C)CCC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028593476	0	51	0.0	-71.08	391.26	0.53	-70.55
CC[N@@H+](C)CCC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028593476	1	51	0.0	-71.03	391.25	0.53	-70.50
CC1CCC[N@@H+]1CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028593527	0	52	0.0	-65.80	389.80	0.64	-65.16
CC1CCC[N@H+]1CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028593527	1	52	0.0	-66.32	396.30	1.03	-65.29
CC1CC[N@H+](CC(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028593529	0	52	0.0	-68.24	396.49	0.94	-67.30
CC1CC[N@@H+](CC(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028593529	1	52	0.0	-68.48	396.34	1.01	-67.47
CC1(C)CC[N@H+](CC(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028593533	0	55	0.0	-68.47	416.35	1.50	-66.97
CC1(C)CC[N@@H+](CC(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028593533	1	55	0.0	-68.48	416.72	1.52	-66.96
C[N@H+](CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300028593534	0	57	0.0	-69.34	418.94	1.72	-67.62
C[N@@H+](CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300028593534	1	57	0.0	-68.81	420.94	1.82	-66.99
CC[C@@H](C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028593542	0	51	0.0	-69.86	381.59	0.37	-69.49
C[NH+]1CCC(O)(CC(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028593691	0	56	0.0	-68.51	418.73	-0.25	-68.76
C[NH+](C)CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028593702	0	45	0.0	-69.83	351.14	-0.74	-70.57
O=C(C[NH+]1CCC(CO)CC1)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028593706	0	56	0.0	-70.71	424.88	-1.56	-72.27
O=C(C[NH+]1CCCCCC1)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028593707	0	55	0.0	-68.50	402.32	1.31	-67.19
CN1C=C[N+](CC(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300028593711	0	47	0.0	-67.38	382.34	2.84	-64.54
C[N@@H+]1CCCC(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028593718	0	52	0.0	-71.22	395.53	0.88	-70.34
C[N@H+]1CCCC(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028593718	1	52	0.0	-68.86	385.16	0.68	-68.18
O=C(NCC1(O)CCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300028593723	0	53	0.0	-63.22	403.80	1.49	-61.73
O=C(NCC1(O)CCN(C(=O)C2CCC[N@H+]2C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300028593723	1	53	0.0	-64.00	399.55	1.45	-62.55
CC(C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC1	REAL300028593747	0	49	0.0	-67.19	378.15	0.15	-67.04
CCC(CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300028593751	0	57	0.0	-66.01	426.70	1.91	-64.10
C[NH+](C)CC(C)(C)C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028593758	0	54	0.0	-68.33	388.74	0.63	-67.70
O=C(NCC1(O)CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300028593774	0	54	0.0	-69.39	410.90	1.79	-67.60
O=C(NCC1(O)CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300028593774	1	54	0.0	-69.83	401.83	2.13	-67.70
O=C(C[NH+]1CCC(O)CC1)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028593782	0	53	0.0	-72.69	403.97	-2.22	-74.91
C[N@H+](CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300028593783	0	49	0.0	-66.23	380.44	0.66	-65.57
C[N@@H+](CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300028593783	1	49	0.0	-66.84	380.56	0.67	-66.17
CC(C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1)N1CC[NH+](C)CC1	REAL300028593784	1	57	0.0	-70.54	426.27	-0.76	-71.30
C[NH+]1CC(CC(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028593802	0	49	0.0	-70.92	382.43	0.13	-70.79
O=C(NCC1(O)CCN(C(=O)C2CC[N@@H+]2C2CCCC2)CC1)C1=CC(=O)[N-]O1	REAL300028593806	0	56	0.0	-66.59	415.61	1.72	-64.87
O=C(NCC1(O)CCN(C(=O)C2CC[N@H+]2C2CCCC2)CC1)C1=CC(=O)[N-]O1	REAL300028593806	1	56	0.0	-68.98	421.16	2.08	-66.90
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028593814	0	55	0.0	-66.23	391.34	0.37	-65.86
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028593814	1	55	0.0	-65.42	392.62	0.18	-65.24
C[C@@H](C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028593825	0	48	0.0	-67.44	367.54	-0.28	-67.72
CCC1CCC[N@H+](CC(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028593860	0	58	0.0	-69.12	425.11	2.34	-66.78
CCC1CCC[N@@H+](CC(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028593860	1	58	0.0	-68.19	424.63	1.97	-66.22
C[NH+](C)CC1=CC=C(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300028593867	0	53	0.0	-82.82	414.81	0.72	-82.10
[NH2+]=C1SC=CN1CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028593908	0	45	0.0	-65.46	378.19	-0.56	-66.02
C[N@H+](CCO)CCC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028593918	0	52	0.0	-70.82	401.61	-2.69	-73.51
C[N@@H+](CCO)CCC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028593918	1	52	0.0	-70.69	401.59	-2.72	-73.41
C[C@@H](C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028593919	0	48	0.0	-67.44	367.54	-0.28	-67.72
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028593923	0	52	0.0	-66.68	380.58	0.31	-66.37
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028593923	1	52	0.0	-65.69	391.61	0.92	-64.77
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028593931	0	55	0.0	-72.03	400.42	-2.13	-74.16
CC1CN2CC[N@H+]1CC2C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028593931	1	55	0.0	-73.57	399.01	-2.21	-75.78
O=C(CC1=CC2=C[NH+]=CN2C=C1)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028593972	0	50	0.0	-69.55	405.56	3.49	-66.06
C[N@H+](CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1)C1CCSC1	REAL300028593994	0	53	0.0	-74.15	410.64	1.50	-72.65
C[N@@H+](CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1)C1CCSC1	REAL300028593994	1	53	0.0	-74.43	410.41	1.57	-72.86
O=C(C[NH+]1CCC1)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028593995	1	46	0.0	-69.73	361.42	-0.20	-69.93
C[N@@H+]1CCC(=CC(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028594023	0	50	0.0	-75.86	388.95	0.82	-75.04
C[N@H+]1CCC(=CC(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028594023	1	50	0.0	-75.95	388.93	0.83	-75.12
C[NH+](C)CCOCC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594056	0	52	0.0	-69.73	407.04	0.39	-69.34
CCCCC[N@H+](C)CCC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594061	0	60	0.0	-72.79	455.75	2.84	-69.95
CCCCC[N@@H+](C)CCC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594061	1	60	0.0	-72.69	455.75	2.84	-69.85
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028594070	0	56	0.0	-71.06	426.99	1.08	-69.98
C=CCC(C)(C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028594077	0	55	0.0	-62.44	395.70	0.69	-61.75
C[S+](C)CCC(O)C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594081	0	51	0.0	-73.84	411.81	-1.31	-75.15
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594106	0	53	0.0	-65.52	387.80	-3.66	-69.18
CN1CC[N@H+](C)CC(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028594116	0	57	0.0	-74.21	419.53	-1.41	-75.62
CN1CC[N@@H+](C)CC(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028594116	1	57	0.0	-74.21	419.53	-1.41	-75.62
CC(C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[N@@H+]1CCCC(O)C1	REAL300028594117	0	56	0.0	-66.89	418.19	-1.67	-68.56
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028594135	0	56	0.0	-69.11	408.87	-0.45	-69.56
C[N@H+]1CCCC(O)(CC(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028594135	1	56	0.0	-69.11	408.87	-0.45	-69.56
CC1CN(CC(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028594138	0	49	0.0	-69.56	382.43	0.42	-69.14
CC1C[NH+](CC(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028594138	1	49	0.0	-69.56	382.43	0.42	-69.14
CN(CCO)CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594164	0	49	0.0	-69.89	379.24	-3.30	-73.19
C[N@H+](CCO)CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594164	1	49	0.0	-69.65	378.96	-3.24	-72.89
C[N@@H+](CCO)CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594164	1	49	0.0	-69.65	378.96	-3.24	-72.89
O=C(NCC1(O)CCN(C(=O)C2C[N@@H+]3CCN2CCC3)CC1)C1=CC(=O)[N-]O1	REAL300028594186	0	55	0.0	-75.09	398.47	-1.06	-76.15
O=C(NCC1(O)CCN(C(=O)C2C[N@H+]3CCN2CCC3)CC1)C1=CC(=O)[N-]O1	REAL300028594186	1	55	0.0	-75.09	398.47	-1.06	-76.15
CC[N@@H+]1CCCC(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028594192	0	55	0.0	-68.00	402.82	1.33	-66.67
CC[N@H+]1CCCC(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028594192	1	55	0.0	-68.00	402.82	1.33	-66.67
CC(CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300028594194	0	54	0.0	-71.54	408.35	1.32	-70.22
CC[N@H+](C)CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594204	0	48	0.0	-69.00	368.89	-0.07	-69.07
O=C(NCC1(O)CCN(C(=O)C23CCC[N@@H+]2CCCC3)CC1)C1=CC(=O)[N-]O1	REAL300028594225	0	56	0.0	-62.74	398.32	0.90	-61.84
O=C(NCC1(O)CCN(C(=O)C23CCC[N@H+]2CCCC3)CC1)C1=CC(=O)[N-]O1	REAL300028594225	1	56	0.0	-62.74	398.32	0.90	-61.84
O=C(NCC1(O)CCN(C(=O)C23CCC[N@@H+]2CC=CC3)CC1)C1=CC(=O)[N-]O1	REAL300028594230	0	54	0.0	-63.61	393.54	1.09	-62.52
O=C(NCC1(O)CCN(C(=O)C23CCC[N@H+]2CC=CC3)CC1)C1=CC(=O)[N-]O1	REAL300028594230	1	54	0.0	-63.61	393.54	1.09	-62.52
CC[N@H+](CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300028594250	0	52	0.0	-66.14	397.52	1.30	-64.84
CC[NH+](CC)CCC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594265	0	54	0.0	-70.07	409.11	1.22	-68.85
CC1(C)CN(CC(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028594285	0	52	0.0	-72.04	401.51	0.90	-71.14
CC1(C)C[NH+](CC(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028594285	1	52	0.0	-72.04	401.51	0.90	-71.14
CC1(O)CC[N@H+](CC(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028594309	0	53	0.0	-69.56	407.35	-2.26	-71.82
C[NH+](C)CC=CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594316	0	49	0.0	-74.08	387.30	0.55	-73.53
CC(OCC[NH+](C)C)C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594335	0	55	0.0	-67.92	422.36	0.80	-67.12
C[NH+](C)CCOCCC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594343	0	55	0.0	-69.69	427.98	0.11	-69.58
COCCN(C)CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594344	0	52	0.0	-69.41	401.22	-0.84	-70.25
COCC[N@H+](C)CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594344	1	52	0.0	-70.05	401.50	-0.90	-70.95
COCC[N@@H+](C)CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594344	1	52	0.0	-70.05	401.50	-0.90	-70.95
C[NH+](C)C1(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CCCC1	REAL300028594373	0	55	0.0	-65.30	387.33	0.85	-64.45
CC(CCC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028594376	0	54	0.0	-69.90	408.44	1.04	-68.86
CC[N@@H+]1CCC1C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594383	0	49	0.0	-68.41	381.71	0.28	-68.13
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028594393	0	58	0.0	-64.38	420.50	2.11	-62.27
CC(C)[N@H+]1CCCC(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028594393	1	58	0.0	-64.38	420.50	2.11	-62.27
O=C(C[N@H+]1CCCC1CO)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594405	0	53	0.0	-67.77	404.27	-2.13	-69.90
O=C(NCC1(O)CCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC1)C1=CC(=O)[N-]O1	REAL300028594427	0	56	0.0	-73.25	418.03	1.93	-71.32
O=C(NCC1(O)CCN(C(=O)C2CC3CCCC[N@H+]3C2)CC1)C1=CC(=O)[N-]O1	REAL300028594427	1	56	0.0	-73.25	418.03	1.93	-71.32
C[NH+]1CCC(C)(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028594433	0	55	0.0	-68.40	398.80	0.74	-67.66
C=CCC(C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028594460	0	52	0.0	-67.39	394.90	0.81	-66.58
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594470	0	55	0.0	-67.10	410.07	0.86	-66.24
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594470	1	55	0.0	-67.10	410.07	0.86	-66.24
C[NH+](C)CCCCCC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594473	0	57	0.0	-71.43	438.02	2.21	-69.22
O=C(C[NH+]1CC2CC2C1)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594481	0	50	0.0	-68.99	386.60	1.15	-67.84
CC1C[N@@H+]2CCN1C(C(=O)N1CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300028594506	0	55	0.0	-75.48	400.73	-2.06	-77.54
CCCC(C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028594507	0	54	0.0	-67.94	402.21	1.07	-66.87
C[NH+](C)C(C)(C)C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594511	0	51	0.0	-71.71	371.18	-0.29	-72.00
C[N@@H+]1CCCCC1C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594549	0	52	0.0	-68.17	383.54	0.49	-67.68
C[N@H+]1CC=C(CC(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028594582	0	53	0.0	-68.27	410.25	1.70	-66.57
C[N@@H+]1CC=C(CC(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028594582	1	53	0.0	-68.27	410.25	1.70	-66.57
O=C(CC1([NH+]2CCCC2)CC1)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594591	0	56	0.0	-69.01	416.25	2.13	-66.88
CN(C)CC1=CC=C(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028594633	0	52	0.0	-74.64	411.78	1.09	-73.55
C[NH+](C)CC1=CC=C(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028594633	1	52	0.0	-74.64	411.78	1.09	-73.55
O=C(C=CC[NH+]1CCCC1)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594649	0	53	0.0	-72.79	412.39	1.71	-71.08
O=C(NCC1(O)CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1)C1=CC(=O)[N-]O1	REAL300028594669	0	56	0.0	-70.31	424.35	2.25	-68.06
O=C(CC[NH+]1CCCC1)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594689	0	52	0.0	-70.92	398.76	0.99	-69.93
C[N@@H+]1CC2CC1(C(=O)N1CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300028594731	0	50	0.0	-68.63	377.98	0.22	-68.41
O=C(C[N@@H+]1CC2CCC1C2)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594743	0	53	0.0	-66.93	397.86	1.36	-65.57
O=C(C[N@H+]1CC2CCC1C2)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594743	1	53	0.0	-66.93	397.86	1.36	-65.57
O=C(C=C1C[NH+]2CCC1CC2)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594780	0	54	0.0	-67.00	406.58	1.70	-65.30
O=C(CN1CC2C=CC1C2)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594790	0	51	0.0	-67.87	389.97	1.21	-66.66
O=C(C[N@@H+]1CC2C=CC1C2)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594790	1	51	0.0	-67.15	390.52	1.24	-65.91
O=C(C[N@H+]1CC2C=CC1C2)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594790	1	51	0.0	-67.15	390.52	1.24	-65.91
CC(C[NH+](C)C)C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594835	0	51	0.0	-73.73	387.94	0.40	-73.33
C[N@@H+]1CCCCC1CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594900	0	55	0.0	-71.84	410.29	1.57	-70.27
C[N@H+]1CCCCC1CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594900	1	55	0.0	-71.63	410.32	1.51	-70.12
CC1=C2C=C(C(=O)N3CCC(O)(CNC(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300028594916	1	50	0.0	-74.09	407.94	3.25	-70.84
CC(C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CC(C)C1	REAL300028594917	0	52	0.0	-66.85	398.99	0.76	-66.09
CC1CC[N@@H+]1CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594920	0	49	0.0	-67.97	382.45	0.34	-67.63
CC1CC[N@H+]1CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594920	1	49	0.0	-68.06	382.44	0.35	-67.71
C[NH+](C)CC(O)CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594923	0	52	0.0	-74.56	403.77	-1.65	-76.21
CC1C[N@H+](C)CC(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028594949	1	53	0.0	-78.77	397.92	-0.15	-78.92
CC1C[N@@H+](C)CC(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028594949	1	53	0.0	-79.78	397.91	-0.18	-79.96
O=C(CC[NH+]1CCC(O)CC1)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594958	0	56	0.0	-74.20	426.26	-1.60	-75.80
CCC[N@@H+]1CCCCC1C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594960	0	58	0.0	-64.59	431.11	2.24	-62.35
CCC[N@H+]1CCCCC1C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594960	1	58	0.0	-64.80	430.14	2.25	-62.55
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028595024	0	52	0.0	-70.03	400.04	0.99	-69.04
CC(CC[NH+](C)C)C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028595032	0	54	0.0	-73.81	409.55	1.00	-72.81
C[N@H+](CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CCC[C@H]1O	REAL300028595052	0	56	0.0	-64.92	421.61	-1.33	-66.25
C[N@@H+](CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CCC[C@H]1O	REAL300028595052	1	56	0.0	-67.97	422.11	-1.54	-69.51
C#CC[N@H+]1CCCCC1C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028595058	1	54	0.0	-64.78	415.90	1.98	-62.80
C#CC[N@@H+]1CCCCC1C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028595058	1	54	0.0	-65.03	417.11	2.04	-62.99
C[NH+]1CCN(CC(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028595061	1	54	0.0	-72.27	410.15	-1.17	-73.44
CC[NH+]1CCN(CC(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028595070	0	57	0.0	-71.19	427.38	-0.53	-71.72
NC(=[NH2+])SCC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028595093	0	43	0.0	-71.00	359.06	-3.70	-74.70
CC[N@@H+]1CCOCC1CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028595126	0	56	0.0	-72.79	419.26	-0.22	-73.01
C[NH+](C)C1CCC(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028595141	0	58	0.0	-77.19	429.42	2.05	-75.14
C[NH+](C)CCC1(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028595142	0	55	0.0	-71.79	419.74	1.57	-70.22
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028595144	0	58	0.0	-67.96	419.96	1.78	-66.18
C[N@@H+]1CC=CCC1CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028595145	0	53	0.0	-72.40	402.29	1.38	-71.02
C[N@H+]1CC=CCC1CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028595145	1	53	0.0	-72.40	402.29	1.38	-71.02
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028595166	0	55	0.0	-69.89	422.35	0.90	-68.99
C[NH+]1C2CCC1CC(C(=O)N1CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300028595191	0	56	0.0	-68.88	410.82	1.38	-67.50
CC(C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCSCC1	REAL300028595289	1	53	0.0	-69.06	408.89	1.24	-67.82
CCC1C[NH+](CC(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028595291	0	52	0.0	-70.26	403.79	1.18	-69.08
O=C(NCC1(O)CCN(C(=O)C2([NH+]3CCCC3)CCC2)CC1)C1=CC(=O)[N-]O1	REAL300028595293	0	56	0.0	-66.88	405.55	1.45	-65.43
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028595300	0	49	0.0	-66.06	373.36	0.19	-65.87
C[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028595300	1	49	0.0	-67.72	369.60	-0.19	-67.91
O=C(CC[N@H+]1CCC(F)C1)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028595307	1	52	0.0	-73.03	405.66	1.13	-71.90
COC1C[N@@H+](C)C(C)(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028595315	1	56	0.0	-66.23	414.17	-0.96	-67.19
O=C(CC[NH+]1CCCCCC1)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028595323	0	58	0.0	-71.31	425.64	2.31	-69.00
O=C(C[NH+]1CCCCC1)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028595325	0	52	0.0	-68.58	392.89	1.14	-67.44
CC1C(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300028595335	0	52	0.0	-70.15	387.58	0.25	-69.90
CC1C(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300028595335	1	52	0.0	-71.68	393.29	0.57	-71.11
C[N@@H+]1CCCCC1CCC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028595337	0	58	0.0	-69.23	432.20	2.24	-66.99
C[N@H+]1CCCCC1CCC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028595337	1	58	0.0	-69.25	432.48	2.29	-66.96
O=C(NCC1(O)CCN(C(=O)C2CC[N@@H+]3CCOCC23)CC1)C1=CC(=O)[N-]O1	REAL300028595359	0	54	0.0	-67.50	401.69	-0.37	-67.87
O=C(NCC1(O)CCN(C(=O)C2CC[N@H+]3CCOCC23)CC1)C1=CC(=O)[N-]O1	REAL300028595359	1	54	0.0	-68.84	402.35	-0.66	-69.50
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(O)(CNC(=O)C4=CC(=O)[N-]O4)CC3)=CN21	REAL300028595364	0	50	0.0	-67.00	407.30	2.41	-64.59
CN1CCOCC1CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028595377	0	53	0.0	-75.17	401.68	-0.88	-76.05
C[N@@H+]1CCOCC1CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028595377	1	53	0.0	-75.05	401.73	-0.88	-75.93
C[N@H+]1CCOCC1CC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028595377	1	53	0.0	-75.17	401.68	-0.88	-76.05
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300028595384	1	53	0.0	-64.74	422.34	0.64	-64.10
C[N@H+]1CCCC1C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028595554	1	49	0.0	-70.65	368.25	-0.31	-70.96
CN1CCOC(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028595580	0	50	0.0	-80.86	378.52	-0.57	-81.43
C[N@@H+]1CCOC(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028595580	1	50	0.0	-81.25	385.68	-0.34	-81.59
C[N@H+]1CCOC(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028595580	1	50	0.0	-80.86	378.52	-0.57	-81.43
CC1=[NH+]C=CN1CCCC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028595739	1	53	0.0	-70.18	419.00	1.94	-68.24
O=C(CC[NH+]1CCOCC1)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028595743	1	53	0.0	-76.11	403.30	-0.94	-77.05
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CCC[NH+]1CCC2	REAL300028595766	0	53	0.0	-73.33	392.62	1.03	-72.30
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC2=C[NH+]=CN2C=C1	REAL300028595774	1	47	0.0	-76.99	378.69	2.72	-74.27
C[NH+](C)C1CCCC(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028595824	0	58	0.0	-72.10	426.85	1.89	-70.21
C[N@@H+]1CCC(CC(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028595827	0	52	0.0	-77.95	395.26	0.72	-77.23
C[N@H+]1CCC(CC(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028595827	1	52	0.0	-74.58	394.72	0.82	-73.76
CN(C)C1=CC=[NH+]C=C1C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028595838	0	51	0.0	-84.36	398.75	-0.10	-84.46
CCC(C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028595843	0	51	0.0	-70.30	377.81	0.03	-70.27
C[NH+](C)CCCCC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028595897	0	54	0.0	-74.23	413.40	1.17	-73.06
CC(C)C(C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028595918	0	54	0.0	-71.25	397.04	1.20	-70.05
CCC[N@H+](C)CCC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028595920	0	54	0.0	-74.10	409.62	0.99	-73.11
CCC[N@@H+](C)CCC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028595920	1	54	0.0	-74.21	409.63	1.00	-73.21
CCC[N@H+](C)CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028595925	0	51	0.0	-72.58	387.26	0.45	-72.13
CCC[N@@H+](C)CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028595925	1	51	0.0	-72.49	387.26	0.44	-72.05
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CC[N@H+](C1)CCC2	REAL300028595946	0	53	0.0	-78.05	388.76	0.39	-77.66
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CC[N@@H+](C1)CCC2	REAL300028595946	1	53	0.0	-84.12	388.80	0.36	-83.76
CCCCCC[N@H+](C)CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028595971	0	60	0.0	-73.69	451.76	2.80	-70.89
CCCCCC[N@@H+](C)CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028595971	1	60	0.0	-73.63	451.75	2.80	-70.83
CC[NH+](CC)C(C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(C)C	REAL300028595975	0	60	0.0	-64.76	427.18	2.34	-62.42
CC1CC[NH+](CC(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028596005	0	55	0.0	-72.75	410.55	1.52	-71.23
C[NH+]1CCC(OCC(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028596030	0	56	0.0	-78.18	427.98	1.14	-77.04
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2CCCC[N@@H+]2C1	REAL300028596069	0	56	0.0	-78.65	415.76	1.82	-76.83
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2CCCC[N@H+]2C1	REAL300028596069	1	56	0.0	-72.86	415.37	1.75	-71.11
C[NH+](C)CC1(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028596079	0	52	0.0	-76.01	399.99	0.90	-75.11
CC(C)[NH+]1CCC(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028596090	0	58	0.0	-73.85	426.97	1.90	-71.95
CC[N@H+](C)CCC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028596110	0	51	0.0	-73.45	388.13	0.24	-73.21
CC[N@@H+](C)CCC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028596110	1	51	0.0	-73.55	388.13	0.25	-73.30
CC(C)(C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCCC1	REAL300028596132	0	58	0.0	-70.76	417.38	1.89	-68.87
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1C[NH+]2CCC1CC2	REAL300028596140	0	53	0.0	-78.98	389.48	1.01	-77.97
C[NH+]1CCC(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028596210	0	52	0.0	-76.36	392.59	0.71	-75.65
CC(C)[C@H](C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028596228	0	54	0.0	-69.80	391.32	1.32	-68.48
CC[NH+](CC)CC(F)C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028596312	0	54	0.0	-75.54	405.43	0.63	-74.91
CC(C)C[N@@H+]1CCC(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028596341	0	58	0.0	-76.75	433.81	1.99	-74.76
CC(C)C[N@H+]1CCC(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028596341	1	58	0.0	-75.65	432.69	2.11	-73.54
C[NH+](C)C1(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300028596344	0	52	0.0	-75.52	379.84	0.50	-75.02
CCC(C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](CC)CC	REAL300028596374	0	57	0.0	-66.41	409.62	1.18	-65.23
CC1CCC[N@@H+]1CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028596393	0	52	0.0	-69.01	386.72	0.41	-68.60
CC1CCC[N@H+]1CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028596393	1	52	0.0	-73.24	386.97	0.54	-72.70
CC(C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCCCC1	REAL300028596443	0	58	0.0	-68.88	416.69	2.08	-66.80
CC(C)[N@@H+]1CCCCC1C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028596445	0	58	0.0	-67.41	421.67	1.69	-65.72
CC(C)[N@H+]1CCCCC1C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028596445	1	58	0.0	-67.32	415.02	1.67	-65.65
CC(C)[N@@H+]1CCCC1C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028596465	0	55	0.0	-74.30	400.84	1.29	-73.01
CC(C)[N@H+]1CCCC1C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028596465	1	55	0.0	-67.73	406.70	1.18	-66.55
CC(C)[N@@H+]1CCCC1CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028596471	0	58	0.0	-74.43	426.91	1.66	-72.77
CC(C)[N@H+]1CCCC1CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028596471	1	58	0.0	-70.04	417.09	1.10	-68.94
CC(C)[C@@H](C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028596483	0	54	0.0	-74.59	395.66	1.38	-73.21
CC1CC[N@H+](CC(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028596502	0	52	0.0	-71.65	394.10	0.79	-70.86
CC1CC[N@@H+](CC(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028596502	1	52	0.0	-71.83	394.13	0.76	-71.07
CC1(C)CC[N@H+](CC(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028596506	0	55	0.0	-75.99	413.31	1.38	-74.61
CC1(C)CC[N@@H+](CC(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028596506	1	55	0.0	-76.13	413.55	1.28	-74.85
C[N@H+](CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300028596507	0	57	0.0	-72.44	418.31	1.71	-70.73
C[N@@H+](CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300028596507	1	57	0.0	-72.75	418.23	1.73	-71.02
CC[C@@H](C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028596515	0	51	0.0	-68.95	377.20	0.25	-68.70
CC1=[NH+]C=CN1CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028596691	1	47	0.0	-69.50	377.42	0.65	-68.85
CC(C[NH+]1CCOCC1)C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028596692	0	56	0.0	-73.93	419.28	-0.23	-74.16
O=C(CCC[NH+]1CCCCC1)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028596707	0	58	0.0	-72.77	433.08	2.23	-70.54
C[NH+](C)CC1=CC(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=NO1	REAL300028596721	1	51	0.0	-79.34	407.15	0.05	-79.29
CC1=C(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C=CC2=C[NH+]=CN21	REAL300028596722	0	50	0.0	-71.55	400.22	3.00	-68.55
CC(C)C1=[NH+]C=CN1CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028596753	1	53	0.0	-67.83	413.68	1.77	-66.06
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCCC2CCC[N@@H+]21	REAL300028596784	0	56	0.0	-69.71	412.85	1.98	-67.73
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCCC2CCC[N@H+]21	REAL300028596784	1	56	0.0	-69.47	412.78	1.99	-67.48
CC[N@@H+]1CCOC(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028596799	1	53	0.0	-76.97	396.32	0.16	-76.81
CC[N@H+]1CCOC(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028596799	1	53	0.0	-85.57	403.47	0.25	-85.32
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN2C=[NH+]C=C2C=C1	REAL300028596848	0	47	0.0	-72.73	378.20	2.55	-70.18
CC1=C[NH+]=CN1CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028596853	1	47	0.0	-71.29	376.75	1.34	-69.95
C[C@@H]1[C@H](C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300028596866	0	52	0.0	-72.55	385.77	0.35	-72.20
C[C@@H]1[C@H](C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300028596866	1	52	0.0	-73.05	390.98	0.37	-72.68
CC[C@@H]1[C@@H](C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300028596870	0	55	0.0	-72.27	404.64	0.69	-71.58
CC[C@@H]1[C@@H](C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300028596870	1	55	0.0	-72.59	410.65	1.13	-71.46
CC1CCC(C)[NH+]1CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028596881	0	55	0.0	-69.06	405.33	1.16	-67.90
O=C(CCC[NH+]1CCCC1)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028596887	0	55	0.0	-72.52	416.25	1.45	-71.07
C#CC[NH+]1CCC(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028596893	0	54	0.0	-76.93	417.79	1.89	-75.04
O=C(CC[NH+]1CCCCC1)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028596894	0	55	0.0	-73.00	411.58	1.46	-71.54
CC[N@@H+]1CCCCC1C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028596900	0	55	0.0	-72.83	398.28	1.23	-71.60
CC[N@H+]1CCCCC1C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028596900	1	55	0.0	-68.22	398.19	1.11	-67.11
C[NH+](C)C1(CC(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCCC1	REAL300028596937	0	58	0.0	-79.18	411.86	1.53	-77.65
C[N@H+](CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300028597068	0	52	0.0	-70.76	394.35	1.19	-69.57
C[N@@H+](CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300028597068	1	52	0.0	-70.48	394.26	1.04	-69.44
CC(C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1C(C)CCC1C	REAL300028597090	0	58	0.0	-66.32	418.36	1.41	-64.91
O=C(CCCC[NH+]1CCCC1)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028597102	0	58	0.0	-72.87	439.36	2.36	-70.51
C[NH+]1CCC(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028597113	0	52	0.0	-76.36	392.59	0.71	-75.65
C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028597150	0	49	0.0	-75.60	367.98	-0.29	-75.89
C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028597150	1	49	0.0	-73.42	374.12	0.16	-73.26
C[N@@H+]1CCCC1CCC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028597177	0	55	0.0	-78.94	415.66	1.64	-77.30
C[N@H+]1CCCC1CCC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028597177	1	55	0.0	-75.16	410.23	1.14	-74.02
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CCC[NH+](CCC1)C2	REAL300028597186	0	56	0.0	-72.01	405.42	1.24	-70.77
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC2CCCC[N@@H+]21	REAL300028597189	0	56	0.0	-73.23	408.76	1.55	-71.68
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC2CCCC[N@H+]21	REAL300028597189	1	56	0.0	-72.89	408.72	1.53	-71.36
CCC[N@@H+]1CCCC(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028597253	0	58	0.0	-69.89	425.76	2.38	-67.51
CCC[N@H+]1CCCC(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028597253	1	58	0.0	-69.65	425.75	2.38	-67.27
CC(C)[N@@H+]1CCOC(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028597268	0	56	0.0	-76.82	413.11	0.59	-76.23
CC(C)[N@H+]1CCOC(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028597268	1	56	0.0	-83.45	420.20	0.77	-82.68
C[N@@H+]1CCCCC1C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028597290	0	52	0.0	-74.03	380.52	0.49	-73.54
C[N@H+]1CCCCC1C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028597290	1	52	0.0	-69.84	389.83	0.63	-69.21
CC(C)C[N@@H+]1CCCC1C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028597311	0	58	0.0	-74.56	426.88	1.66	-72.90
CC(C)C[N@H+]1CCCC1C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028597311	1	58	0.0	-73.02	431.92	2.30	-70.72
O=C(C[NH+]1CCC(CO)CC1)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028597325	1	56	0.0	-74.34	421.98	-1.68	-76.02
CC1C(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300028597366	0	52	0.0	-72.09	389.56	0.44	-71.65
CC1C(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300028597366	1	52	0.0	-70.67	389.45	0.41	-70.26
C[N@@H+]1CCCCC1CCC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028597368	0	58	0.0	-74.62	429.74	2.08	-72.54
C[N@H+]1CCCCC1CCC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028597368	1	58	0.0	-71.28	429.58	2.14	-69.14
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028597450	0	55	0.0	-73.01	409.92	0.88	-72.13
CC(C)(C)[N@H+]1CCC1C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028597450	1	55	0.0	-68.50	409.78	0.87	-67.63
C[C@@H](C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028597468	0	48	0.0	-69.94	365.69	-0.55	-70.49
C=CCC(C)(C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028597482	0	55	0.0	-65.38	401.38	1.01	-64.37
O=C(CC[NH+]1CCCC1)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028597503	0	52	0.0	-72.89	396.36	0.77	-72.12
C[N@H+](CCO)CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028597513	1	49	0.0	-72.70	376.11	-3.53	-76.23
C[N@@H+](CCO)CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028597513	1	49	0.0	-72.91	375.98	-3.41	-76.32
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1C[N@@H+]2CCN1CCC2	REAL300028597548	0	55	0.0	-75.99	396.45	-1.48	-77.47
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1C[N@H+]2CCN1CCC2	REAL300028597548	1	55	0.0	-86.50	394.95	-1.02	-87.52
C[N@H+]1CC=C(CC(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028597599	0	53	0.0	-74.55	407.39	1.48	-73.07
C[N@@H+]1CC=C(CC(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028597599	1	53	0.0	-72.86	407.39	1.47	-71.39
C[S+](C)CCC(O)C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028597613	0	51	0.0	-78.10	412.88	-1.30	-79.40
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028597631	1	53	0.0	-72.54	391.43	-2.39	-74.93
C[N@H+]1CC(O)CC1(C)C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028597631	1	53	0.0	-83.11	394.47	-2.73	-85.84
CN1CC[N@H+](C)CC(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028597641	0	57	0.0	-73.75	418.57	-0.69	-74.44
CN1CC[N@@H+](C)CC(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028597641	1	57	0.0	-73.93	419.38	-1.09	-75.02
CC(C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[N@@H+]1CCCC(O)C1	REAL300028597642	1	56	0.0	-74.13	417.10	-1.75	-75.88
CC(C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[N@H+]1CCCC(O)C1	REAL300028597642	1	56	0.0	-70.07	417.21	-1.76	-71.83
C[N@@H+]1CCCC(O)(CC(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028597671	0	56	0.0	-68.24	409.07	-0.60	-68.84
C[N@H+]1CCCC(O)(CC(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028597671	1	56	0.0	-75.62	405.76	-0.69	-76.31
CC1C[NH+](CC(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028597675	1	49	0.0	-77.25	378.11	0.26	-76.99
CC[N@@H+]1CCCC(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028597681	0	55	0.0	-75.04	410.53	1.44	-73.60
CC[N@H+]1CCCC(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028597681	1	55	0.0	-74.86	410.52	1.43	-73.43
NC1=[NH+]C=CC=C1CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028597687	0	48	0.0	-69.29	382.27	-1.16	-70.45
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC[N@@H+]1C1CC1	REAL300028597697	0	53	0.0	-71.50	405.78	1.66	-69.84
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC[N@H+]1C1CC1	REAL300028597697	1	53	0.0	-74.77	398.29	0.86	-73.91
O=C(C=CC[NH+]1CCCC1)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028597733	0	53	0.0	-74.14	408.59	1.31	-72.83
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC[NH+](C2CC2)CC1	REAL300028597753	0	56	0.0	-72.13	421.88	2.12	-70.01
CC[N@H+](C)CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028597794	0	48	0.0	-72.04	365.76	-0.29	-72.33
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1C[NH+]2CCN1CC2	REAL300028597916	0	52	0.0	-76.56	384.65	-2.35	-78.91
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CCC[N@@H+]1CCCC2	REAL300028597955	0	56	0.0	-67.05	402.27	1.66	-65.39
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CCC[N@H+]1CCCC2	REAL300028597955	1	56	0.0	-66.75	402.01	1.62	-65.13
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CCC[N@@H+]1CC=CC2	REAL300028597962	0	54	0.0	-70.18	395.69	1.35	-68.83
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CCC[N@H+]1CC=CC2	REAL300028597962	1	54	0.0	-76.86	391.57	1.80	-75.06
CC(OCC[NH+](C)C)C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028597971	0	55	0.0	-72.73	422.90	0.83	-71.90
C[NH+](C)CCOCCC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028597980	0	55	0.0	-71.57	424.86	-0.17	-71.74
COCC[N@H+](C)CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028597982	1	52	0.0	-72.90	398.23	-0.99	-73.89
COCC[N@@H+](C)CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028597982	1	52	0.0	-72.86	398.37	-1.12	-73.98
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1C[NH+](C2CCOC2)C1	REAL300028597983	0	54	0.0	-78.00	414.58	-0.58	-78.58
CC(CCC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028597987	0	54	0.0	-73.97	400.83	0.76	-73.21
C[NH+]1CCC(=CC(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028598003	0	53	0.0	-74.28	402.24	1.46	-72.82
CC[N@H+](CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300028598010	0	52	0.0	-69.30	397.11	1.06	-68.24
CC[N@@H+](CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300028598010	1	52	0.0	-69.74	393.92	0.97	-68.77
CC1C[N@@H+]2CCN1C(C(=O)NCC1(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300028598025	0	55	0.0	-70.81	391.27	-1.32	-72.13
CC1C[N@H+]2CCN1C(C(=O)NCC1(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300028598025	1	55	0.0	-83.78	401.40	-1.84	-85.62
C[N@@H+]1CC2CC1(C(=O)NCC1(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300028598047	1	50	0.0	-74.64	380.52	0.28	-74.36
C[N@H+]1CC2CC1(C(=O)NCC1(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300028598047	1	50	0.0	-78.86	379.78	0.11	-78.75
O=C(C[N@@H+]1CC2CCC1C2)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028598061	0	53	0.0	-73.81	391.96	0.94	-72.87
O=C(C[N@H+]1CC2CCC1C2)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028598061	1	53	0.0	-73.56	392.43	0.95	-72.61
CC(C[NH+](C)C)C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028598080	0	51	0.0	-68.69	385.57	0.41	-68.28
C[NH+](C)C1(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028598095	0	49	0.0	-75.27	371.22	0.15	-75.12
C[C@H](C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028598119	0	48	0.0	-70.57	365.63	-0.39	-70.96
CC[N@@H+]1CCC1C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028598126	1	49	0.0	-74.44	372.96	-0.23	-74.67
CC[N@H+]1CCC1C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028598126	1	49	0.0	-71.41	379.92	0.17	-71.24
CC(C)[N@@H+]1CCCC(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028598138	0	58	0.0	-68.99	420.91	2.15	-66.84
CC(C)[N@H+]1CCCC(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028598138	1	58	0.0	-68.69	420.90	2.15	-66.54
CCC(C)(C)[NH2+]C(C)C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028598151	0	57	0.0	-68.80	412.77	-0.36	-69.16
CNC1=[NH+]C(C)=CC=C1C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028598191	1	51	0.0	-65.78	397.58	0.21	-65.57
NC1=CC=[NH+]C=C1C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028598192	0	45	0.0	-78.52	356.05	-2.43	-80.95
CCCC(C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028598201	0	54	0.0	-71.38	399.31	0.81	-70.57
C[NH+](C)C(C)(C)C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028598208	0	51	0.0	-75.01	375.28	0.21	-74.80
CC(CC[NH+](C)C)C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028598226	0	54	0.0	-72.92	408.07	0.93	-71.99
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CC(C1)C[N@@H+]2C1CC1	REAL300028598287	0	54	0.0	-69.60	398.98	2.01	-67.59
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CC(C1)C[N@H+]2C1CC1	REAL300028598287	1	54	0.0	-70.89	405.59	2.30	-68.59
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028598316	0	55	0.0	-68.27	413.89	1.17	-67.10
C[N@H+]1CC(C)(C)CC1C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028598316	1	55	0.0	-69.35	413.94	1.43	-67.92
C[NH+](C)CCCCCC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028598319	0	57	0.0	-73.72	434.90	1.96	-71.76
O=C(CC[NH+]1CCC(O)CC1)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028598323	0	56	0.0	-76.89	422.67	-1.90	-78.79
CCC[N@@H+]1CCCCC1C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028598327	0	58	0.0	-69.07	419.78	1.93	-67.14
CCC[N@H+]1CCCCC1C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028598327	1	58	0.0	-73.00	419.92	1.86	-71.14
C[NH+]1CCN(CC(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028598336	1	54	0.0	-73.34	407.27	-1.29	-74.63
CC1C[N@H+](C)CC(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028598422	1	53	0.0	-87.93	406.86	0.32	-87.61
CC1C[N@@H+](C)CC(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028598422	1	53	0.0	-88.62	406.89	0.31	-88.31
CCC1CCC[N@H+](CC(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028598454	0	58	0.0	-76.89	428.93	2.15	-74.74
CCC1CCC[N@@H+](CC(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028598454	1	58	0.0	-72.53	428.99	2.16	-70.37
C[NH+](C)CC1=CC=C(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300028598462	0	53	0.0	-80.88	414.88	0.21	-80.67
O=C(C[NH+]1CC2CC2C1)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028598475	0	50	0.0	-72.37	382.52	0.88	-71.49
O=C(CC1([NH+]2CCCC2)CC1)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028598487	0	56	0.0	-69.05	413.16	1.75	-67.30
C[N@@H+]1CCCCC1C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028598522	0	52	0.0	-74.03	380.52	0.49	-73.54
C[N@H+]1CCCCC1C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028598522	1	52	0.0	-69.84	389.83	0.63	-69.21
C[N@@H+]1CCC(=CC(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028598628	0	50	0.0	-78.98	387.12	0.69	-78.29
C[N@H+]1CCC(=CC(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028598628	1	50	0.0	-79.04	387.12	0.69	-78.35
O=C(CNC1=CC=[NH+]C=C1)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028598633	0	48	0.0	-71.76	383.75	-1.69	-73.45
CC[NH+]1CCN(CC(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028598686	0	57	0.0	-70.75	425.51	-0.64	-71.39
O=C(C=C1C[NH+]2CCC1CC2)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028598689	0	54	0.0	-68.95	404.48	1.43	-67.52
C[NH+](C)C1(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCCC1	REAL300028598723	0	55	0.0	-71.92	398.39	1.61	-70.31
C[N@H+](CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CCC[C@H]1O	REAL300028598734	0	56	0.0	-68.12	418.77	-1.57	-69.69
C[N@@H+](CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CCC[C@H]1O	REAL300028598734	1	56	0.0	-71.46	419.04	-1.75	-73.21
CCC1C[NH+](CC(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028598738	1	52	0.0	-73.27	400.35	0.88	-72.39
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1([NH+]2CCCC2)CCC1	REAL300028598741	0	56	0.0	-66.31	410.01	1.82	-64.49
C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028598753	0	49	0.0	-72.52	373.96	0.11	-72.41
C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028598753	1	49	0.0	-72.90	367.97	-0.40	-73.30
CC[N@@H+]1CCOCC1CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028598779	0	56	0.0	-80.12	416.11	-0.51	-80.63
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028598890	0	52	0.0	-71.17	397.72	0.77	-70.40
C[NH+](C)C1CCC(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028598904	0	58	0.0	-74.85	426.86	1.88	-72.97
C[NH+](C)CCC1(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028598905	0	55	0.0	-77.63	423.70	1.67	-75.96
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028598907	0	58	0.0	-72.78	420.57	1.85	-70.93
C[N@@H+]1CC=CCC1CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028598908	0	53	0.0	-79.75	399.59	1.19	-78.56
C[N@H+]1CC=CCC1CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028598908	1	53	0.0	-70.55	394.45	1.14	-69.41
C[NH+](C)CCOCC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028598962	0	52	0.0	-72.96	403.91	0.09	-72.87
CCCCC[N@H+](C)CCC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028598967	0	60	0.0	-75.03	452.63	2.55	-72.48
CCCCC[N@@H+](C)CCC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028598967	1	60	0.0	-75.17	452.62	2.55	-72.62
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028598978	0	56	0.0	-73.05	426.99	1.00	-72.05
[NH2+]=C1SC=CN1CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028599001	0	45	0.0	-69.10	375.10	-0.78	-69.88
C[C@@H](OCC[NH+](C)C)C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028599068	0	55	0.0	-71.51	423.51	0.80	-70.71
O=C(CC[NH+]1CCCCCC1)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028599103	0	58	0.0	-74.52	422.05	1.67	-72.85
C[N@@H+]1CCCC(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028599108	0	52	0.0	-69.61	386.61	0.98	-68.63
C[N@H+]1CCCC(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028599108	1	52	0.0	-69.61	386.61	0.98	-68.63
O=C(CN1CCC(CO)CC1)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028599109	0	56	0.0	-74.34	421.98	-1.68	-76.02
O=C(C[NH+]1CCC(CO)CC1)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028599109	1	56	0.0	-74.34	421.98	-1.68	-76.02
CN1C=C[N+](CC(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300028599115	0	47	0.0	-70.73	379.27	2.54	-68.19
CN(C)CC1=CC=C(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028599130	0	52	0.0	-82.39	412.56	0.91	-81.48
C[NH+](C)CC1=CC=C(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028599130	1	52	0.0	-82.39	412.56	0.91	-81.48
O=C(CN1CCC(O)CC1)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028599146	0	53	0.0	-76.64	401.40	-2.34	-78.98
O=C(C[NH+]1CCC(O)CC1)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028599146	1	53	0.0	-76.64	401.40	-2.34	-78.98
C[N@H+](CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300028599150	0	49	0.0	-69.45	377.31	0.45	-69.00
CC(C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)N1CCN(C)CC1	REAL300028599152	0	57	0.0	-70.89	419.00	-1.16	-72.05
CC(C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)N1CC[NH+](C)CC1	REAL300028599152	1	57	0.0	-70.89	419.00	-1.16	-72.05
O=C(CC[N@@H+]1CCC(F)C1)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028599154	0	52	0.0	-78.24	402.20	0.83	-77.41
COC1C[N@H+](C)C(C)(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028599163	0	56	0.0	-75.85	418.41	-0.50	-76.35
CC(CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300028599180	0	54	0.0	-73.52	405.22	1.03	-72.49
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC[N@@H+]2CCOCC12	REAL300028599192	0	54	0.0	-80.06	407.19	-0.56	-80.62
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC[N@H+]2CCOCC12	REAL300028599192	1	54	0.0	-80.06	407.19	-0.56	-80.62
CN1CCOCC1CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028599210	0	53	0.0	-72.51	391.40	-1.17	-73.68
C[N@@H+]1CCOCC1CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028599210	1	53	0.0	-82.43	398.27	-1.15	-83.58
C[N@H+]1CCOCC1CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028599210	1	53	0.0	-82.43	398.27	-1.15	-83.58
CC1=CC(N)=NC=C1C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028599270	0	48	0.0	-78.86	376.90	-1.21	-80.07
CC1=CC(N)=[NH+]C=C1C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028599270	1	48	0.0	-78.86	376.90	-1.21	-80.07
CC1(O)CCN(CC(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028599310	0	53	0.0	-71.47	404.05	-2.54	-74.01
CC1(O)CC[N@H+](CC(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028599310	1	53	0.0	-75.81	404.25	-2.43	-78.24
CC1(O)CC[N@@H+](CC(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028599310	1	53	0.0	-75.81	404.25	-2.43	-78.24
C[NH+]1CC(CC(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028599342	0	49	0.0	-72.39	379.48	-0.13	-72.52
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC[N@@H+]1C1CCCC1	REAL300028599346	0	56	0.0	-72.40	418.89	1.99	-70.41
C[N@H+](CCO)CCC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028599382	0	52	0.0	-72.66	398.21	-2.97	-75.63
C[N@@H+](CCO)CCC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028599382	1	52	0.0	-72.66	398.21	-2.97	-75.63
C[N@@H+]1CCCCC1CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028599401	0	55	0.0	-69.92	400.02	1.21	-68.71
C[N@H+]1CCCCC1CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028599401	1	55	0.0	-69.92	400.02	1.21	-68.71
CC1=C2C=C(C(=O)NCC3(O)CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=N1	REAL300028599420	0	50	0.0	-74.49	400.38	3.12	-71.37
CC1=C2C=C(C(=O)NCC3(O)CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300028599420	1	50	0.0	-74.49	400.38	3.12	-71.37
CC(C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)N1CC(C)C1	REAL300028599421	0	52	0.0	-69.17	396.78	0.69	-68.48
CC(C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CC(C)C1	REAL300028599421	1	52	0.0	-69.17	396.78	0.69	-68.48
CC1CCN1CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028599425	0	49	0.0	-74.41	374.05	-0.04	-74.45
CC1CC[N@@H+]1CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028599425	1	49	0.0	-71.85	379.24	0.15	-71.70
CC1CC[N@H+]1CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028599425	1	49	0.0	-71.85	379.24	0.15	-71.70
C[NH+](C)CC=CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028599436	0	49	0.0	-75.50	385.26	0.29	-75.21
CC1=C(C)NC(CCC(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300028599463	0	53	0.0	-67.49	418.27	0.33	-67.16
CC1=C(C)[NH+]=C(CCC(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300028599463	1	53	0.0	-67.49	418.27	0.33	-67.16
CC1=C2C=C(C(=O)NCC3(O)CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=N1	REAL300028599474	0	50	0.0	-74.49	400.38	3.12	-71.37
CC1=C2C=C(C(=O)NCC3(O)CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300028599474	1	50	0.0	-74.49	400.38	3.12	-71.37
C[NH+](C)CCSCC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028599483	0	52	0.0	-77.14	414.93	0.96	-76.18
O=C(C[N@H+]1CCCC1CO)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028599508	0	53	0.0	-71.99	401.46	-2.18	-74.17
CC[NH+](CC)CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028599512	0	51	0.0	-70.92	379.19	0.20	-70.72
C[N@H+](CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCSC1	REAL300028599522	0	53	0.0	-77.92	407.37	1.26	-76.66
CC[NH+](CC)CCC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028599568	0	54	0.0	-72.28	405.26	0.94	-71.34
CC(C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)N1CCC(O)CC1	REAL300028599645	0	56	0.0	-72.63	419.10	-1.97	-74.60
CC(C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC(O)CC1	REAL300028599645	1	56	0.0	-72.63	419.10	-1.97	-74.60
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2COCC[N@@H+]2C1	REAL300028599650	0	54	0.0	-71.69	406.67	-0.44	-72.13
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2COCC[N@H+]2C1	REAL300028599650	1	54	0.0	-71.69	406.67	-0.44	-72.13
CC(C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)N1CCC1	REAL300028599662	0	49	0.0	-71.25	378.43	0.09	-71.16
CC(C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC1	REAL300028599662	1	49	0.0	-71.25	378.43	0.09	-71.16
CCC(CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300028599667	0	57	0.0	-76.07	422.98	1.74	-74.33
C[NH+](C)CC(C)(C)C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028599675	0	54	0.0	-69.52	394.77	0.71	-68.81
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028599731	0	52	0.0	-73.68	390.48	0.68	-73.00
CC1CN2CC[N@@H+]1CC2C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028599745	0	55	0.0	-81.12	400.76	-1.96	-83.08
C[NH+](C)CC(O)CC(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028599766	0	52	0.0	-76.95	400.74	-1.96	-78.91
C[NH+]1C2CCC1CC(C(=O)NCC1(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300028599768	0	56	0.0	-71.48	390.25	1.61	-69.87
C=CCC(C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028599799	0	52	0.0	-68.13	391.44	0.55	-67.58
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2CCCC[N@@H+]2C1	REAL300028599807	0	56	0.0	-72.86	415.37	1.75	-71.11
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2CCCC[N@H+]2C1	REAL300028599807	1	56	0.0	-72.86	415.37	1.75	-71.11
C[NH+]1CCC(C)(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028599818	0	55	0.0	-68.27	405.29	1.12	-67.15
C[NH+]1CCC(O)(CC(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028599820	0	56	0.0	-73.78	418.90	-0.41	-74.19
CC1=C2C=C(C(=O)N3CCC(O)(CNC(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300028599892	1	50	0.0	-74.09	407.94	3.25	-70.84
C[NH+](C)CCSCC(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028599901	0	52	0.0	-74.58	418.05	1.28	-73.30
O=C(NCC1(O)CCN(C(=O)C2CC3COCC[N@@H+]3C2)CC1)C1=CC(=O)[N-]O1	REAL300028599908	0	54	0.0	-69.00	408.78	-0.36	-69.36
O=C(NCC1(O)CCN(C(=O)C2CC3COCC[N@H+]3C2)CC1)C1=CC(=O)[N-]O1	REAL300028599908	1	54	0.0	-69.01	405.88	-0.49	-69.50
CC1CC(NC(=O)C2CCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028600066	0	48	0.0	-67.68	362.96	2.99	-64.69
CC1CC(NC(=O)C2CCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028600066	1	48	0.0	-68.79	356.86	2.36	-66.43
CC1CC(NC(=O)C2C[N@H+](C)CCO2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028600090	1	49	0.0	-78.32	362.77	2.51	-75.81
CC1CC(NC(=O)C2C[N@@H+](C)CCO2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028600090	1	49	0.0	-70.69	367.16	2.22	-68.47
CC(C)C1=[NH+]C=CN1CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028600274	1	55	0.0	-66.25	423.75	5.05	-61.20
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+]1CCCCCC1	REAL300028600281	0	57	0.0	-67.31	407.57	4.33	-62.98
CC(C)[N@@H+]1CCCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028600283	0	57	0.0	-65.55	403.54	4.51	-61.04
CC(C)[N@H+]1CCCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028600283	1	57	0.0	-66.15	403.50	4.54	-61.61
CC(C)[N@@H+]1CCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028600317	0	54	0.0	-65.86	395.21	3.97	-61.89
CC(C)[N@H+]1CCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028600317	1	54	0.0	-65.94	395.21	3.97	-61.97
CC1CC(NC(=O)C2CC3CCCC[N@@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028600343	0	55	0.0	-67.78	399.74	4.95	-62.83
CC1CC(NC(=O)C2CC3CCCC[N@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028600343	1	55	0.0	-69.53	400.03	4.90	-64.63
CC(C)C1=[NH+]C=CN1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028600376	1	52	0.0	-66.25	402.40	4.56	-61.69
CC1=[NH+]C=CN1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028600430	1	46	0.0	-67.83	366.07	3.44	-64.39
CC(C[NH+]1CCOCC1)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028600432	0	55	0.0	-72.82	409.33	2.51	-70.31
CC1CC(NC(=O)CCC[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028600454	0	57	0.0	-71.84	422.38	5.18	-66.66
CC1CC(NC(=O)C(C)(C)[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028600481	0	57	0.0	-70.25	405.99	4.79	-65.46
CC1CC(NC(=O)C2C[NH+]3CCC2CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028600500	0	52	0.0	-78.35	379.58	3.70	-74.65
CC1CC(NC(=O)C2CCCC3CCC[N@@H+]32)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028600558	0	55	0.0	-64.37	402.89	4.77	-59.60
CC1CC(NC(=O)C2CCCC3CCC[N@H+]32)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028600558	1	55	0.0	-64.42	402.97	4.74	-59.68
CC1CC(NC(=O)C2=CN(CC[NH+](C)C)N=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028600560	0	54	0.0	-78.25	422.34	3.27	-74.98
CC1CC(NC(=O)C2=NN(CC[NH+](C)C)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028600575	0	54	0.0	-81.79	421.53	3.45	-78.34
C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC[N@@H+]1C	REAL300028600582	0	51	0.0	-70.00	369.00	3.32	-66.68
C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC[N@H+]1C	REAL300028600582	1	51	0.0	-71.53	379.37	3.12	-68.41
CCC1=[NH+]C=CN1C(C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028600585	1	55	0.0	-66.18	424.30	5.12	-61.06
CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC[N@@H+]1C	REAL300028600588	0	54	0.0	-71.20	388.61	3.93	-67.27
CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC[N@H+]1C	REAL300028600588	1	54	0.0	-72.61	399.77	3.82	-68.79
CC[N@@H+]1CCOC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300028600614	1	52	0.0	-76.34	386.06	2.73	-73.61
CC[N@H+]1CCOC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300028600614	1	52	0.0	-76.61	387.72	3.42	-73.19
CC[NH+](CC)CC(F)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028600674	0	53	0.0	-72.84	397.30	3.52	-69.32
CC1CC(NC(=O)C2=C(C[NH+](C)C)C=CS2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028600675	0	51	0.0	-61.69	402.26	4.46	-57.23
CC1CCC(C)[NH+]1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028600780	0	54	0.0	-68.04	395.18	3.82	-64.22
CC1CC(NC(=O)CCC[NH+]2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028600787	0	54	0.0	-71.33	407.85	4.31	-67.02
CC1CC(NC(=O)C2=CC=CC(C[NH+](C)C)=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028600788	0	54	0.0	-73.12	416.18	5.26	-67.86
C#CC[NH+]1CCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC1	REAL300028600795	0	53	0.0	-75.98	406.40	4.67	-71.31
CC1CC(NC(=O)CC[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028600796	0	54	0.0	-72.03	402.35	4.33	-67.70
CC1CC(NC(=O)C2=CC=CC=C2C[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028600800	0	54	0.0	-63.87	407.49	5.55	-58.32
CC[N@@H+]1CCCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028600809	0	54	0.0	-68.16	391.96	4.46	-63.70
CC[N@H+]1CCCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028600809	1	54	0.0	-66.79	387.10	3.88	-62.91
CC(C)C(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+]1CCCCC1	REAL300028600810	0	60	0.0	-68.21	425.17	5.23	-62.98
CC1CC(NC(=O)C(C2=CC=CC=C2)[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028600813	1	54	0.0	-67.76	413.07	5.40	-62.36
CC(C)C[N@@H+]1CCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300028600839	0	57	0.0	-70.26	422.92	4.78	-65.48
CC(C)C[N@H+]1CCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300028600839	1	57	0.0	-70.84	417.19	5.15	-65.69
CC1CC(NC(=O)C2([NH+](C)C)CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028600843	0	51	0.0	-66.00	370.24	3.45	-62.55
CC1CC(NC(=O)C(CN2C=CC=N2)[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028600845	1	54	0.0	-67.78	411.23	3.15	-64.63
CC(C)[N@@H+]1CCCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028600850	0	57	0.0	-65.59	408.03	3.98	-61.61
CC(C)[N@H+]1CCCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028600850	1	57	0.0	-69.74	406.45	4.17	-65.57
CC1CC(NC(=O)C2CCC[N@@H+]2C2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028600851	0	58	0.0	-70.99	408.94	5.69	-65.30
CC1CC(NC(=O)C2CCC[N@H+]2C2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028600851	1	58	0.0	-71.84	413.87	5.75	-66.09
CC(C)[C@@H](C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300028600872	0	53	0.0	-69.44	383.02	3.54	-65.90
CC1CC(NC(=O)C[N@H+](C)C2CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028600934	0	51	0.0	-68.97	382.76	3.81	-65.16
CC1CC(NC(=O)C[N@@H+](C)C2CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028600934	1	51	0.0	-69.13	382.86	3.80	-65.33
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+]1C(C)CCC1C	REAL300028601020	0	57	0.0	-64.78	406.43	4.30	-60.48
CC1CC(NC(=O)CCN(C)C2=CC=[NH+]C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601099	0	53	0.0	-69.98	412.50	3.43	-66.55
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028601111	1	50	0.0	-69.82	383.42	3.72	-66.10
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028601111	1	50	0.0	-68.10	385.11	4.61	-63.49
CC1CC(NC(=O)CCC2CCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601121	0	54	0.0	-70.24	397.89	3.79	-66.45
CC1CC(NC(=O)CCC2CCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601121	1	54	0.0	-74.60	404.31	4.44	-70.16
CC1CC(NC(=O)C23CCC[NH+](CCC2)C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601134	0	55	0.0	-71.67	395.74	4.11	-67.56
CC1CC(NC(=O)C2CCC3CCCC[N@@H+]32)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601142	0	55	0.0	-66.05	404.73	4.89	-61.16
CC1CC(NC(=O)C2CCC3CCCC[N@H+]32)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601142	1	55	0.0	-66.35	399.99	5.10	-61.25
CC1CC(NC(=O)C(C)(C)C[NH+]2CCOCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601150	0	58	0.0	-71.03	417.17	3.02	-68.01
CC1CC(NC(=O)CCCC[NH+]2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601170	0	57	0.0	-72.10	429.67	5.22	-66.88
CC1CC(NC(=O)C[N@H+](C)CC2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601173	1	54	0.0	-75.25	413.35	5.41	-69.84
CC1CC(NC(=O)C[N@@H+](C)CC2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601173	1	54	0.0	-75.52	413.29	5.41	-70.11
CC1CC(NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601190	0	51	0.0	-75.57	381.22	3.48	-72.09
CC1CC(NC(=O)C2=NOC(C[NH+](C)C)=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601250	1	50	0.0	-79.06	395.76	2.85	-76.21
CC1=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C=CC2=C[NH+]=CN21	REAL300028601252	0	49	0.0	-75.12	390.31	5.78	-69.34
CC1CC(NC(=O)C2CCCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601295	0	51	0.0	-66.37	378.97	3.42	-62.95
CC1CC(NC(=O)C2CCCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601295	1	51	0.0	-68.43	369.51	3.37	-65.06
CC(C)C[N@@H+]1CCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028601326	0	57	0.0	-67.95	423.25	5.12	-62.83
CC(C)C[N@H+]1CCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028601326	1	57	0.0	-67.99	421.77	5.08	-62.91
CC1CC(NC(=O)C2=CN3C=[NH+]C=C3C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601483	0	46	0.0	-71.83	368.19	5.31	-66.52
CC1=[NH+]C=CN1CCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028601496	1	52	0.0	-68.09	408.99	4.69	-63.40
CC1CC(NC(=O)CCCC[NH+]2CCOCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601500	1	58	0.0	-74.91	434.90	3.40	-71.51
CC1CC(NC(=O)C2=CC=C(C[NH+](C)C)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601506	0	54	0.0	-78.85	410.47	5.71	-73.14
CC1CC(NC(=O)CC[NH+]2CCOCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601507	1	52	0.0	-74.78	391.92	1.82	-72.96
CCC[NH+](CCC)CCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028601532	0	62	0.0	-71.84	454.72	5.75	-66.09
CC1=C[NH+]=CN1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028601552	1	46	0.0	-69.22	366.41	4.16	-65.06
CC1CC(NC(=O)CN2C=[NH+]C3=C2CCCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601563	1	53	0.0	-68.24	408.23	5.89	-62.35
CC1CC(NC(=O)C2(C[NH+](C)C)CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601607	0	60	0.0	-77.88	411.23	6.61	-71.27
CC1CC(NC(=O)CC[N@H+](C)C2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601613	0	60	0.0	-73.31	436.75	5.49	-67.82
CC1CC(NC(=O)CC[N@@H+](C)C2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601613	1	60	0.0	-73.62	436.75	5.49	-68.13
CC1CC(NC(=O)C23CCC[NH+]2CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601618	0	52	0.0	-72.52	381.30	3.82	-68.70
CC1CC(NC(=O)C2CCCC([NH+](C)C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601657	0	57	0.0	-65.89	410.63	4.58	-61.31
CC1CC(NC(=O)CC2CC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601662	0	51	0.0	-74.03	382.96	3.41	-70.62
CC1CC(NC(=O)CC2CC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601662	1	51	0.0	-73.13	383.64	3.40	-69.73
CC1CC(NC(=O)C2=C[NH+]=CC=C2N(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601676	0	50	0.0	-77.50	387.36	2.63	-74.87
CCC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300028601682	0	50	0.0	-67.32	366.72	2.88	-64.44
CC1CC(NC(=O)CC2([NH+](C)C)CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601702	0	57	0.0	-73.64	400.47	4.24	-69.40
CC1CC(NC(=O)C2=CC3=C[NH+]=CN3C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601767	1	46	0.0	-75.89	368.46	5.30	-70.59
CC1CC(NC(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601810	1	49	0.0	-81.44	398.04	3.36	-78.08
CC1CC(NC(=O)CCCC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601844	0	53	0.0	-73.12	402.01	3.96	-69.16
CC(C)C(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300028601866	0	53	0.0	-67.70	384.88	4.03	-63.67
CCC[N@H+](C)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028601868	0	53	0.0	-73.41	399.94	3.86	-69.55
CCC[N@@H+](C)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028601868	1	53	0.0	-73.34	399.94	3.86	-69.48
CCC[N@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028601874	0	50	0.0	-71.01	375.85	3.24	-67.77
CCC[N@@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028601874	1	50	0.0	-71.07	375.87	3.24	-67.83
CC1CC(NC(=O)C23CC[N@H+](C2)CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601904	0	52	0.0	-71.41	373.87	3.40	-68.01
CC1CC(NC(=O)C23CC[N@@H+](C2)CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601904	1	52	0.0	-72.69	378.88	3.15	-69.54
CC1CC(NC(=O)[C@H]2CCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601968	0	48	0.0	-68.78	357.34	3.28	-65.50
CC1CC(NC(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601968	1	48	0.0	-68.74	356.92	2.37	-66.37
CC1CC2CCC(C(=O)NC3CCN(C(=O)C4=CC(=O)[N-]O4)C(C)C3)C[N@@H+]2C1	REAL300028601995	0	58	0.0	-69.37	425.04	5.25	-64.12
CC1CC2CCC(C(=O)NC3CCN(C(=O)C4=CC(=O)[N-]O4)C(C)C3)C[N@H+]2C1	REAL300028601995	1	58	0.0	-68.63	420.40	5.57	-63.06
CCCCCC[N@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028602046	0	59	0.0	-72.21	440.34	5.58	-66.63
CCCCCC[N@@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028602046	1	59	0.0	-72.20	440.37	5.58	-66.62
CC[NH+](CC)C(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)C(C)C	REAL300028602055	0	59	0.0	-65.33	418.21	5.29	-60.04
CC[NH+](CC)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028602065	0	50	0.0	-69.32	372.07	3.18	-66.14
CCC[N@@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300028602099	0	57	0.0	-65.89	414.21	5.08	-60.81
CCC[N@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300028602099	1	57	0.0	-66.06	414.32	5.17	-60.89
CC(C)[N@@H+]1CCOC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300028602122	1	55	0.0	-75.39	409.98	3.41	-71.98
CC(C)[N@H+]1CCOC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300028602122	1	55	0.0	-76.11	408.84	3.57	-72.54
CC1CC[NH+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC1	REAL300028602162	0	54	0.0	-71.93	400.92	4.40	-67.53
CC1CC(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028602193	1	49	0.0	-78.12	396.17	3.39	-74.73
CC1CC(NC(=O)COC2CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028602202	0	55	0.0	-76.64	417.97	3.87	-72.77
CC1CC(NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028602219	0	51	0.0	-69.87	387.90	3.66	-66.21
CC1=[NH+]C=C2CCC(C(=O)NC3CCN(C(=O)C4=CC(=O)[N-]O4)C(C)C3)CN21	REAL300028602220	1	53	0.0	-65.07	400.18	5.06	-60.01
CC(C)[NH+]1CCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC1	REAL300028602321	0	57	0.0	-72.87	411.89	4.43	-68.44
CC1CC(NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028602351	0	51	0.0	-75.57	381.22	3.48	-72.09
CC(C)[C@H](C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300028602374	0	53	0.0	-67.61	385.07	3.66	-63.95
CCC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](CC)CC	REAL300028602411	0	56	0.0	-65.26	402.03	4.28	-60.98
CC[N@H+](C)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028602506	0	50	0.0	-72.70	378.44	3.11	-69.59
CC[N@@H+](C)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028602506	1	50	0.0	-72.62	378.44	3.11	-69.51
CC1CCC[N@@H+]1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028602582	0	51	0.0	-67.73	376.69	3.16	-64.57
CC1CCC[N@H+]1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028602582	1	51	0.0	-67.90	375.57	3.31	-64.59
CC1CC[N@H+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300028602584	0	51	0.0	-70.29	381.97	3.58	-66.71
CC1CC[N@@H+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300028602584	1	51	0.0	-70.67	383.71	3.60	-67.07
CC1CC(NC(=O)C2(F)CC[N@@H+](C(C)(C)C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028602585	0	57	0.0	-67.76	419.08	4.22	-63.54
CC1CC(NC(=O)C2(F)CC[N@H+](C(C)(C)C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028602585	1	57	0.0	-68.82	414.35	4.49	-64.33
CC1=[NH+]C=C2CC(C(=O)NC3CCN(C(=O)C4=CC(=O)[N-]O4)C(C)C3)CCN21	REAL300028602587	1	53	0.0	-69.73	400.85	4.94	-64.79
CC1CC(NC(=O)C[N@@H+]2CCC(C)(C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028602590	0	54	0.0	-70.57	401.88	4.19	-66.38
CC1CC(NC(=O)C[N@H+]2CCC(C)(C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028602590	1	54	0.0	-71.24	397.71	4.43	-66.81
CC1CC(NC(=O)C[N@H+](C)CC(C)(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028602591	0	56	0.0	-70.45	406.90	4.39	-66.06
CC1CC(NC(=O)C[N@@H+](C)CC(C)(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028602591	1	56	0.0	-71.96	399.57	4.61	-67.35
CC[C@@H](C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300028602602	0	50	0.0	-67.28	367.12	2.85	-64.43
CC(COCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+]1CCCC1	REAL300028602610	0	58	0.0	-69.81	435.22	4.58	-65.23
CC1CC(NC(=O)C2CC[NH+](CC3CC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028602698	0	58	0.0	-75.48	430.41	5.68	-69.80
CC1CC(NC(=O)CC2(O)CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028602848	0	55	0.0	-73.83	409.02	2.28	-71.55
COCC[N@@H+]1CCCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028602855	0	58	0.0	-64.18	428.98	3.80	-60.38
COCC[N@H+]1CCCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028602855	1	58	0.0	-69.76	434.97	3.27	-66.49
CC1CC(NC(=O)C[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028602863	0	44	0.0	-71.45	336.64	1.82	-69.63
CC1CC(NC(=O)C[NH+]2CCC(CO)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028602868	0	55	0.0	-73.19	411.76	1.08	-72.11
CC1CC(NC(=O)C[NH+]2CCCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028602872	0	54	0.0	-70.59	389.31	3.95	-66.64
CC1CC(NC(=O)C[N+]2=CN(C)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028602877	0	46	0.0	-69.07	367.87	5.33	-63.74
CC1CC(NC(=O)C2CCC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028602888	0	51	0.0	-71.76	381.19	3.44	-68.32
CC1CC(NC(=O)C2CCC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028602888	1	51	0.0	-71.45	381.46	3.57	-67.88
CC1CC(NC(=O)C2CCC[N@@H+]2C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028602894	0	52	0.0	-67.90	382.70	4.13	-63.77
CC1CC(NC(=O)C2CCC[N@H+]2C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028602894	1	52	0.0	-66.17	389.34	4.31	-61.86
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+]1CCC1	REAL300028602931	1	48	0.0	-69.24	366.54	3.00	-66.24
CCC(CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)C[NH+](C)C	REAL300028602940	0	56	0.0	-73.99	407.84	4.44	-69.55
CC1CC(NC(=O)C(C)(C)C[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028602949	0	53	0.0	-65.40	383.80	3.64	-61.76
CC1CC(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028602972	0	53	0.0	-71.38	387.85	5.36	-66.02
CC1CC(NC(=O)C23CC(C2)C[N@H+]3C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028602972	1	53	0.0	-67.98	382.72	4.99	-62.99
CC1CC(NC(=O)C[NH+]2CCC(O)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028602995	1	52	0.0	-75.49	391.17	0.43	-75.06
CC1CC(NC(=O)C[N@H+](C)C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028602997	0	48	0.0	-69.31	367.75	3.32	-65.99
CC1CC(NC(=O)C[N@@H+](C)C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028602997	1	48	0.0	-68.08	367.29	3.19	-64.89
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)N1CC[NH+](C)CC1	REAL300028602998	1	56	0.0	-71.13	411.74	1.74	-69.39
CC1CC(NC(=O)CC2C[NH+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603027	0	48	0.0	-70.90	368.08	2.64	-68.26
CC1CC(NC(=O)C2CC[N@@H+]2C2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603031	0	55	0.0	-71.63	404.76	5.18	-66.45
CC1CC(NC(=O)C2CC[N@H+]2C2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603031	1	55	0.0	-71.38	411.15	4.83	-66.55
CC1CC(NC(=O)C2CC[N@@H+]2C(C)(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603039	0	54	0.0	-67.23	398.40	3.66	-63.57
CC1CC(NC(=O)C2CC[N@H+]2C(C)(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603039	1	54	0.0	-67.31	394.02	3.95	-63.36
CC1CC(NC(=O)C2CCN(C3=CC=[NH+]C=C3)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603050	0	54	0.0	-72.50	413.07	2.38	-70.12
C[C@@H](C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300028603053	0	47	0.0	-70.45	356.32	2.30	-68.15
CCC1CCC[N@H+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300028603105	0	57	0.0	-71.60	417.82	5.06	-66.54
CCC1CCC[N@@H+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300028603105	1	57	0.0	-71.52	417.82	5.06	-66.46
CC1CC(NC(=O)C2=CC=C(C[NH+](C)C)N2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603114	0	52	0.0	-79.90	403.22	3.25	-76.65
CC1CC(NC(=O)CC2CC3CCC(C2)[NH+]3C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603129	0	58	0.0	-70.10	403.78	4.25	-65.85
CC1CC(NC(=O)CN2C=CSC2=[NH2+])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603175	0	44	0.0	-67.52	363.71	2.00	-65.52
CC1CC(NC(=O)CC[N@H+](C)CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603188	0	51	0.0	-72.14	388.80	-0.11	-72.25
CC1CC(NC(=O)CC[N@@H+](C)CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603188	1	51	0.0	-71.84	387.35	-0.09	-71.93
C[C@@H](C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300028603189	0	47	0.0	-70.45	356.32	2.30	-68.15
CC1CC(NC(=O)[C@H]2CCCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603193	0	51	0.0	-68.74	379.81	3.40	-65.34
CC1CC(NC(=O)[C@H]2CCCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603193	1	51	0.0	-69.50	369.30	3.25	-66.25
CC1CC(NC(=O)C2C[N@@H+]3CCN2CC3C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603203	0	54	0.0	-72.58	389.23	0.99	-71.59
CC1CC(NC(=O)C2C[N@H+]3CCN2CC3C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603203	1	54	0.0	-72.14	389.36	0.83	-71.31
COC1C[N@@H+]2CCCC2(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300028603252	0	56	0.0	-72.48	409.86	3.23	-69.25
COC1C[N@H+]2CCCC2(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300028603252	1	56	0.0	-73.26	414.74	2.80	-70.46
CC1CC(NC(=O)CC2=CC3=C[NH+]=CN3C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603268	0	49	0.0	-70.16	391.04	6.00	-64.16
CC1CC(NC(=O)C[N@H+](C)C2CCSC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603301	0	52	0.0	-76.38	395.98	4.04	-72.34
CC1CC(NC(=O)C[N@@H+](C)C2CCSC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603301	1	52	0.0	-76.57	395.99	4.07	-72.50
CC1CC(NC(=O)C[NH+]2CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603302	1	45	0.0	-71.70	348.64	2.39	-69.31
CC1CC(NC(=O)C2=CC=NC(C[NH+](C)C)=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603340	1	53	0.0	-70.97	412.48	3.94	-67.03
CC1CC(NC(=O)C=C2CC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603342	0	49	0.0	-73.74	371.14	3.74	-70.00
CC1CC(NC(=O)C=C2CC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603342	1	49	0.0	-73.25	371.44	3.86	-69.39
CC1CC(NC(=O)C2C[NH+](C3CCCCC3)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603369	0	58	0.0	-73.49	430.31	5.26	-68.23
CC1CC(NC(=O)COCC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603387	0	51	0.0	-71.67	392.65	3.00	-68.67
CCCCC[N@H+](C)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028603394	0	59	0.0	-74.31	442.93	5.42	-68.89
CCCCC[N@@H+](C)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028603394	1	59	0.0	-74.20	442.94	5.42	-68.78
CC1CC(NC(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603404	0	55	0.0	-72.23	415.81	3.88	-68.35
C=CCC(C)(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300028603416	0	54	0.0	-65.27	391.80	4.00	-61.27
CC1CC(NC(=O)C(O)CC[S+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603421	0	50	0.0	-72.37	402.87	1.45	-70.92
CC1CC(NC(=O)C2(C)CC(O)C[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603456	0	52	0.0	-76.16	385.84	-0.04	-76.20
CC1CC(NC(=O)C2CN(C)CC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603471	0	56	0.0	-69.43	406.63	2.01	-67.42
CC1CC(NC(=O)C2CN(C)CC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603471	1	56	0.0	-69.43	406.63	2.01	-67.42
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[N@@H+]1CCCC(O)C1	REAL300028603472	0	55	0.0	-69.49	400.49	1.36	-68.13
CC1CC(NC(=O)CC2(O)CCC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603497	0	55	0.0	-66.02	397.74	2.12	-63.90
CC1CC(NC(=O)CC2(O)CCC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603497	1	55	0.0	-66.02	397.74	2.12	-63.90
CC1CN(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300028603501	0	48	0.0	-71.55	369.61	3.01	-68.54
CC1C[NH+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300028603501	1	48	0.0	-71.55	369.61	3.01	-68.54
CC1CC(NC(=O)CN(C)CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603531	0	48	0.0	-71.17	364.73	-0.75	-71.92
CC1CC(NC(=O)C[N@H+](C)CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603531	1	48	0.0	-70.91	364.69	-0.73	-71.64
CC1CC(NC(=O)C[N@@H+](C)CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603531	1	48	0.0	-70.91	364.69	-0.73	-71.64
CC1CC(NC(=O)C=C2CC3CCC(C2)[NH+]3C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603554	0	56	0.0	-71.15	411.66	4.86	-66.29
CC1CC(NC(=O)C2C[N@@H+]3CCN2CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603559	0	54	0.0	-78.64	384.95	1.26	-77.38
CC1CC(NC(=O)C2C[N@H+]3CCN2CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603559	1	54	0.0	-78.64	384.95	1.26	-77.38
CC[N@@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300028603568	0	54	0.0	-69.80	399.13	4.23	-65.57
CC[N@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300028603568	1	54	0.0	-69.80	399.13	4.23	-65.57
CC(CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)C[NH+](C)C	REAL300028603570	0	53	0.0	-74.35	393.76	3.94	-70.41
CC[N@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028603586	0	47	0.0	-70.68	354.37	2.49	-68.19
CC1CC(NC(=O)C23CCC[N@@H+]2CCCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603615	0	55	0.0	-65.65	382.40	4.66	-60.99
CC1CC(NC(=O)C23CCC[N@H+]2CCCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603615	1	55	0.0	-65.65	382.40	4.66	-60.99
CC1CC(NC(=O)C23CCC[N@@H+]2CC=CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603625	0	53	0.0	-69.07	382.47	4.73	-64.34
CC1CC(NC(=O)C23CCC[N@H+]2CC=CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603625	1	53	0.0	-69.07	382.47	4.73	-64.34
CC[N@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)C1CC1	REAL300028603653	0	51	0.0	-68.58	384.65	3.94	-64.64
CC[NH+](CC)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028603678	0	53	0.0	-71.25	394.24	3.73	-67.52
CC1CC(NC(=O)CN2CC(C)(C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603712	0	51	0.0	-71.43	387.41	3.57	-67.86
CC1CC(NC(=O)C[NH+]2CC(C)(C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603712	1	51	0.0	-71.43	387.41	3.57	-67.86
CC1CC(NC(=O)CCCC[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603718	0	60	0.0	-72.18	445.34	5.92	-66.26
CC1CC(NC(=O)C[N@@H+]2CCC(C)(O)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603753	0	52	0.0	-70.35	392.55	0.24	-70.11
CC1CC(NC(=O)C=CC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603766	0	48	0.0	-75.35	373.98	3.01	-72.34
CC(OCC[NH+](C)C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028603793	0	54	0.0	-71.01	412.89	3.57	-67.44
CC1CC(NC(=O)CCOCC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603804	0	54	0.0	-70.46	413.47	2.60	-67.86
COCCN(C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028603805	0	51	0.0	-70.57	386.95	1.67	-68.90
COCC[N@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028603805	1	51	0.0	-71.40	386.98	1.66	-69.74
COCC[N@@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028603805	1	51	0.0	-71.40	386.98	1.66	-69.74
COCCCC[N@H+](C)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028603837	0	60	0.0	-77.14	455.11	3.71	-73.43
COCCCC[N@@H+](C)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028603837	1	60	0.0	-77.14	455.11	3.71	-73.43
CC1CC(NC(=O)C2([NH+](C)C)CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603863	0	54	0.0	-72.55	387.99	4.02	-68.53
CC(CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300028603866	0	53	0.0	-70.67	393.58	3.53	-67.14
CC[N@@H+]1CCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028603876	1	48	0.0	-70.61	364.11	3.19	-67.42
CC[N@H+]1CCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028603876	1	48	0.0	-70.31	369.97	2.93	-67.38
CC(C)[N@@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300028603889	0	57	0.0	-65.35	404.99	5.21	-60.14
CC(C)[N@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300028603889	1	57	0.0	-69.13	415.75	4.74	-64.39
CC1CC(NC(=O)C[N@@H+]2CCCC2CO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603904	0	52	0.0	-70.78	386.42	0.70	-70.08
CC1CC(NC(=O)C[N@H+]2CCCC2CO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603904	1	52	0.0	-70.52	382.20	0.39	-70.13
CC1CC(NC(=O)C2CC3CCCC[N@@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603931	0	55	0.0	-67.78	399.74	4.95	-62.83
CC1CC(NC(=O)C2CC3CCCC[N@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603931	1	55	0.0	-69.53	400.03	4.90	-64.63
CC1CC(NC(=O)C2(C)CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603940	0	54	0.0	-67.25	395.59	3.99	-63.26
CC1CC(NC(=O)C2=CC(C[NH+](C)C)=CN2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603946	0	52	0.0	-74.99	404.72	3.18	-71.81
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+]1CCC(O)CC1	REAL300028603967	0	55	0.0	-71.09	400.24	0.78	-70.31
C=CCC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300028603983	0	51	0.0	-67.73	381.38	3.31	-64.42
CC1CC(NC(=O)C2CC(C)(C)C[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604001	0	54	0.0	-71.60	398.50	3.38	-68.22
CC1CC(NC(=O)C2CC(C)(C)C[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604001	1	54	0.0	-67.49	398.15	4.37	-63.12
CC1CC(NC(=O)CCCCC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604006	0	56	0.0	-72.52	423.50	4.74	-67.78
CC1CC(NC(=O)C[NH+]2CC3CC3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604017	0	49	0.0	-71.06	371.97	3.70	-67.36
CC1CC(NC(=O)C2C[N@@H+]3CCN2C(C)C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604054	0	54	0.0	-71.13	377.16	1.90	-69.23
CC1CC(NC(=O)C2C[N@H+]3CCN2C(C)C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604054	1	54	0.0	-80.31	385.14	1.27	-79.04
CCCC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300028604055	0	53	0.0	-68.12	389.42	3.56	-64.56
CC1CC(NC(=O)C(C)(C)[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604060	0	50	0.0	-74.80	364.34	3.12	-71.68
CC[NH+](CC)CCSCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028604101	0	57	0.0	-74.14	439.01	5.23	-68.91
CC1CC(NC(=O)C2CCCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604113	0	51	0.0	-66.37	378.97	3.42	-62.95
CC1CC(NC(=O)C2CCCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604113	1	51	0.0	-68.43	369.51	3.37	-65.06
CC1CC(NC(=O)CC2=CC[N@H+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604165	0	52	0.0	-70.05	397.21	4.10	-65.95
CC1CC(NC(=O)CC2=CC[N@@H+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604165	1	52	0.0	-68.62	396.07	4.27	-64.35
CC1CC(NC(=O)CC2([NH+]3CCCC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604175	0	55	0.0	-67.88	401.65	4.57	-63.31
CC1CC(NC(=O)C(C)(C)C2CCC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604234	0	60	0.0	-72.88	414.96	5.01	-67.87
CC1CC(NC(=O)C(C)(C)C2CCC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604234	1	60	0.0	-72.88	414.96	5.01	-67.87
CC1CC(NC(=O)C2=CC=C(CN(C)C)O2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604239	0	51	0.0	-77.18	402.87	3.73	-73.45
CC1CC(NC(=O)C2=CC=C(C[NH+](C)C)O2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604239	1	51	0.0	-77.18	402.87	3.73	-73.45
CC1CC(NC(=O)C=CC[NH+]2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604263	0	52	0.0	-74.45	400.64	4.34	-70.11
CC1CC(NC(=O)C2CC[NH+](C3CC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604290	0	55	0.0	-72.87	410.53	4.89	-67.98
CC1CC(NC(=O)CC[NH+]2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604319	0	51	0.0	-72.12	386.68	3.63	-68.49
CC1CC(NC(=O)C23CC(C2)C[N@@H+]3C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604377	0	49	0.0	-74.15	367.66	3.10	-71.05
CC1CC(NC(=O)C[N@@H+]2CC3CCC2C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604393	0	52	0.0	-68.15	376.62	4.23	-63.92
CC1CC(NC(=O)C[N@H+]2CC3CCC2C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604393	1	52	0.0	-68.15	376.62	4.23	-63.92
CC(C)[NH+]1CCC(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC1	REAL300028604405	0	60	0.0	-69.50	432.19	5.23	-64.27
CC1CC(NC(=O)C=C2C[NH+]3CCC2CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604456	0	53	0.0	-67.75	394.83	4.33	-63.42
CC1CC(NC(=O)CN2CC3C=CC2C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604468	0	50	0.0	-68.52	371.92	4.09	-64.43
CC1CC(NC(=O)C[N@@H+]2CC3C=CC2C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604468	1	50	0.0	-69.43	371.83	4.32	-65.11
CC1CC(NC(=O)C[N@H+]2CC3C=CC2C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604468	1	50	0.0	-69.43	371.83	4.32	-65.11
CC(C[NH+](C)C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028604533	0	50	0.0	-68.14	376.19	3.16	-64.98
CC1CC(NC(=O)CC2CCCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604635	0	54	0.0	-66.54	384.20	4.30	-62.24
CC1CC(NC(=O)CC2CCCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604635	1	54	0.0	-66.54	384.20	4.30	-62.24
CC1=C2C=C(C(=O)NC3CCN(C(=O)C4=CC(=O)[N-]O4)C(C)C3)C=CN2C=N1	REAL300028604658	0	49	0.0	-73.93	390.37	5.86	-68.07
CC1=C2C=C(C(=O)NC3CCN(C(=O)C4=CC(=O)[N-]O4)C(C)C3)C=CN2C=[NH+]1	REAL300028604658	1	49	0.0	-73.93	390.37	5.86	-68.07
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)N1CC(C)C1	REAL300028604659	0	51	0.0	-68.13	384.61	3.57	-64.56
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+]1CC(C)C1	REAL300028604659	1	51	0.0	-68.13	384.61	3.57	-64.56
CC1CCN1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028604663	0	48	0.0	-69.24	364.16	2.73	-66.51
CC1CC[N@@H+]1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028604663	1	48	0.0	-69.71	368.19	3.02	-66.69
CC1CC[N@H+]1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028604663	1	48	0.0	-69.71	368.19	3.02	-66.69
CC1CC(NC(=O)CC(O)C[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604668	0	51	0.0	-76.07	389.60	0.93	-75.14
CC1CN(C)CC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)O1	REAL300028604706	0	52	0.0	-78.94	388.71	3.12	-75.82
CC1C[N@H+](C)CC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)O1	REAL300028604706	1	52	0.0	-80.41	395.42	3.13	-77.28
CC1C[N@@H+](C)CC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)O1	REAL300028604706	1	52	0.0	-80.41	395.42	3.13	-77.28
CC1CC(NC(=O)CC[NH+]2CCC(O)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604718	0	55	0.0	-75.52	411.51	1.00	-74.52
CCC[N@@H+]1CCCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028604721	0	57	0.0	-68.54	408.41	4.77	-63.77
CCC[N@H+]1CCCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028604721	1	57	0.0	-68.54	408.41	4.77	-63.77
CC[NH+]1CCN(CCC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC1	REAL300028604726	0	59	0.0	-73.54	436.95	2.56	-70.98
CCN1CC[NH+](CCC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC1	REAL300028604726	1	59	0.0	-73.54	436.95	2.56	-70.98
CC1CC(NC(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604729	0	58	0.0	-65.91	411.60	5.43	-60.48
CC1CC(NC(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604729	1	58	0.0	-65.91	411.60	5.43	-60.48
CC(C)C[NH+]1CCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC1	REAL300028604777	0	60	0.0	-74.64	437.68	5.58	-69.06
CC1CC(NC(=O)CN2CCC([NH+](C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604803	0	59	0.0	-70.50	429.98	2.52	-67.98
CC1CC(NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604825	0	51	0.0	-69.51	381.83	3.91	-65.60
CC(CC[NH+](C)C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028604833	0	53	0.0	-71.74	398.06	3.67	-68.07
CC1CC(NC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604867	0	55	0.0	-69.31	407.10	1.19	-68.12
CC1CC(NC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604867	1	55	0.0	-69.43	403.37	1.43	-68.00
C#CC[N@H+]1CCCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028604876	1	53	0.0	-67.84	395.79	4.41	-63.43
C#CC[N@@H+]1CCCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028604876	1	53	0.0	-69.07	394.43	4.45	-64.62
CC1CC(NC(=O)CN2CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604882	1	53	0.0	-70.28	395.66	1.33	-68.95
CC[NH+]1CCN(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC1	REAL300028604891	0	56	0.0	-69.25	413.40	2.01	-67.24
CC1CC(NC(=O)CSC(N)=[NH2+])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604923	0	42	0.0	-73.05	344.80	-1.11	-74.16
CC[N@@H+]1CCOCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028604971	0	55	0.0	-74.11	404.37	2.30	-71.81
CC1CC(NC(=O)C2(CC[NH+](C)C)CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604990	0	60	0.0	-78.27	438.57	5.46	-72.81
CC1CC(NC(=O)CC[NH+]2C(C)CCCC2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604992	0	60	0.0	-67.93	430.07	4.93	-63.00
CC1CC(NC(=O)C2CCC([NH+](C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604995	0	57	0.0	-70.73	408.94	4.51	-66.22
CC1CC(NC(=O)C2(CC[NH+](C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604996	0	54	0.0	-70.36	414.59	4.53	-65.83
CC1CC(NC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028605000	0	57	0.0	-70.65	404.89	5.02	-65.63
CC1CC(NC(=O)CC2CC=CC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028605001	0	52	0.0	-74.75	388.16	3.99	-70.76
CC1CC(NC(=O)CC2CC=CC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028605001	1	52	0.0	-74.75	388.16	3.99	-70.76
C[C@@H](OCC[NH+](C)C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300028605031	0	54	0.0	-67.94	413.98	3.65	-64.29
CC1CC(NC(=O)C2CC3CCC(C2)[NH+]3C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028605065	0	55	0.0	-71.57	378.92	4.29	-67.28
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+]1CCSCC1	REAL300028605218	1	52	0.0	-72.66	393.64	3.79	-68.87
CCC1C[NH+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300028605221	1	51	0.0	-72.03	389.10	3.62	-68.41
CC1CC(NC(=O)C2C[NH+](C3CCOCC3)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028605223	0	56	0.0	-75.70	421.54	2.85	-72.85
CC1CC(NC(=O)C2([NH+]3CCCC3)CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028605225	0	55	0.0	-69.99	398.61	4.58	-65.41
CC1CC(NC(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028605236	1	48	0.0	-68.50	358.54	3.26	-65.24
CC1CC(NC(=O)CC[N@H+]2CCC(F)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028605246	1	51	0.0	-76.78	391.12	3.76	-73.02
COC1C[N@@H+](C)C(C)(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300028605255	1	55	0.0	-74.98	408.49	2.25	-72.73
CC1CC(NC(=O)CC[NH+]2CCCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028605268	0	57	0.0	-74.12	412.37	4.53	-69.59
CC1CC(NC(=O)C[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028605270	0	51	0.0	-71.09	380.06	3.78	-67.31
CC1C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC[N@@H+]1C	REAL300028605280	0	51	0.0	-72.52	374.66	3.79	-68.73
CC1C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC[N@H+]1C	REAL300028605280	1	51	0.0	-68.83	382.70	3.53	-65.30
CC1CC(NC(=O)CCC2CCCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028605283	0	57	0.0	-75.02	406.27	4.91	-70.11
CC1CC(NC(=O)CCC2CCCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028605283	1	57	0.0	-74.35	406.54	5.05	-69.30
CC1CC(NC(=O)C2CC[N@@H+]3CCOCC23)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028605319	0	53	0.0	-74.46	391.93	2.51	-71.95
CC1CC(NC(=O)C2CC[N@H+]3CCOCC23)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028605319	1	53	0.0	-75.68	397.31	2.20	-73.48
CC1=[NH+]C=C2C=CC(C(=O)NC3CCN(C(=O)C4=CC(=O)[N-]O4)C(C)C3)=CN21	REAL300028605327	0	49	0.0	-68.57	389.91	5.20	-63.37
CC1CC(NC(=O)CC2COCCN2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028605347	0	52	0.0	-69.44	379.76	1.49	-67.95
CC1CC(NC(=O)CC2COCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028605347	1	52	0.0	-66.49	375.57	1.89	-64.60
CC1CC(NC(=O)CC2COCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028605347	1	52	0.0	-69.44	379.76	1.49	-67.95
CC1=C(C)[NH+]=C(CCC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)N1	REAL300028605358	1	52	0.0	-66.38	408.26	3.06	-63.32
CC1CC(NC(=O)C2CCN2CC2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028605373	0	55	0.0	-69.90	421.52	5.68	-64.22
CC1CC(NC(=O)C2CC[N@@H+]2CC2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028605373	1	55	0.0	-70.77	422.60	5.53	-65.24
CC1CC(NC(=O)C2CC[N@H+]2CC2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028605373	1	55	0.0	-69.90	421.52	5.68	-64.22
CC(C)C[N@@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300028605377	0	60	0.0	-65.02	431.77	5.86	-59.16
CC(C)C[N@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300028605377	1	60	0.0	-65.07	431.79	5.86	-59.21
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@@H+]1C	REAL300028605544	0	48	0.0	-63.05	357.20	3.31	-59.74
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@H+]1C	REAL300028605544	1	48	0.0	-66.51	358.61	2.64	-63.87
CC1=[NH+]C=CN1CCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028605738	1	52	0.0	-66.09	410.86	5.04	-61.05
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCC[NH+]1CCOCC1	REAL300028605742	1	58	0.0	-73.18	439.54	3.67	-69.51
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300028605746	0	54	0.0	-74.36	417.21	5.26	-69.10
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCOCC1	REAL300028605747	1	52	0.0	-70.37	390.80	2.56	-67.81
CCC[NH+](CCC)CCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028605766	0	62	0.0	-67.68	457.52	6.75	-60.93
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300028605794	1	46	0.0	-71.74	366.85	5.24	-66.50
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCCC([NH+](C)C)C1	REAL300028605859	0	57	0.0	-64.53	407.44	4.51	-60.02
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC[N@H+](C)C1	REAL300028605864	0	51	0.0	-70.93	386.25	3.75	-67.18
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC[N@@H+](C)C1	REAL300028605864	1	51	0.0	-70.95	386.36	3.75	-67.20
CCC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300028605881	0	50	0.0	-66.40	369.63	3.12	-63.28
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300028605890	1	49	0.0	-75.43	396.30	3.82	-71.61
CC1CC2CCC(C(=O)N3CCC(NC(=O)C4=CC(=O)[N-]O4)CC3C)C[N@@H+]2C1	REAL300028605933	0	58	0.0	-68.92	428.36	5.31	-63.61
CC1CC2CCC(C(=O)N3CCC(NC(=O)C4=CC(=O)[N-]O4)CC3C)C[N@H+]2C1	REAL300028605933	1	58	0.0	-62.16	417.32	5.33	-56.83
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCC[NH+](C)C	REAL300028605962	0	53	0.0	-68.84	400.90	4.68	-64.16
CCC[N@H+](C)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028605983	0	53	0.0	-68.45	397.13	4.50	-63.95
CCC[N@@H+](C)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028605983	1	53	0.0	-70.58	401.49	4.10	-66.48
CCC[N@H+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028605987	0	50	0.0	-68.48	379.13	3.49	-64.99
CCC[N@@H+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028605987	1	50	0.0	-68.54	379.13	3.49	-65.05
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C12CC[N@H+](C1)CCC2	REAL300028606010	0	52	0.0	-69.80	375.24	2.92	-66.88
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300028606010	1	52	0.0	-74.67	371.72	2.79	-71.88
CCCCCC[N@H+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028606049	0	59	0.0	-69.74	443.62	5.85	-63.89
CCCCCC[N@@H+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028606049	1	59	0.0	-69.81	443.59	5.84	-63.97
CC1CC[NH+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300028606095	0	54	0.0	-69.10	403.84	4.52	-64.58
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300028606120	1	49	0.0	-74.80	395.22	3.18	-71.62
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)COC1CC[NH+](C)CC1	REAL300028606127	0	55	0.0	-73.47	419.84	4.10	-69.37
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCCC[N@@H+]2C1	REAL300028606185	0	55	0.0	-66.79	405.01	4.67	-62.12
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCCC[N@H+]2C1	REAL300028606185	1	55	0.0	-67.98	404.56	4.55	-63.43
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1(C[NH+](C)C)CC1	REAL300028606197	0	51	0.0	-64.78	371.45	3.81	-60.97
CC1=[NH+]C=C2CCC(C(=O)N3CCC(NC(=O)C4=CC(=O)[N-]O4)CC3C)CN21	REAL300028606198	1	53	0.0	-62.63	407.27	4.66	-57.97
CC(C)[NH+]1CCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300028606208	0	57	0.0	-68.77	415.52	4.77	-64.00
CC[N@H+](C)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028606242	0	50	0.0	-69.94	379.92	3.37	-66.57
CC[N@@H+](C)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028606242	1	50	0.0	-67.89	375.63	3.76	-64.13
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[NH+]2CCC1CC2	REAL300028606287	0	52	0.0	-66.85	373.44	4.04	-62.81
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[NH+](C)CC1	REAL300028606369	0	51	0.0	-71.90	381.00	3.54	-68.36
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[NH+](CC2CC2)CC1	REAL300028606456	0	58	0.0	-71.54	430.38	5.79	-65.75
CC[NH+](CC)CC(F)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028606499	0	53	0.0	-67.78	401.52	4.09	-63.69
CC(C)C[N@@H+]1CCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300028606533	0	57	0.0	-67.81	420.15	4.96	-62.85
CC(C)C[N@H+]1CCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300028606533	1	57	0.0	-68.78	421.73	4.87	-63.91
CCC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](CC)CC	REAL300028606562	0	56	0.0	-61.67	400.93	4.24	-57.43
CC1CCC[N@@H+]1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028606587	0	51	0.0	-63.40	374.24	3.82	-59.58
CC1CCC[N@H+]1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028606587	1	51	0.0	-65.55	384.96	3.88	-61.67
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028606664	1	55	0.0	-62.67	425.31	5.28	-57.39
CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1CCCCCC1	REAL300028606668	0	57	0.0	-64.09	403.01	4.37	-59.72
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028606699	0	54	0.0	-62.50	398.34	3.96	-58.54
CC(C)[N@H+]1CCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028606699	1	54	0.0	-64.09	381.09	4.62	-59.47
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028606708	0	57	0.0	-62.23	409.51	4.66	-57.57
CC(C)[N@H+]1CCCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028606708	1	57	0.0	-66.58	421.84	4.81	-61.77
CC1CC[N@H+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300028606754	0	51	0.0	-66.12	381.67	4.21	-61.91
CC1CC[N@@H+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300028606754	1	51	0.0	-65.47	381.05	4.21	-61.26
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1(F)CC[N@@H+](C(C)(C)C)C1	REAL300028606755	0	57	0.0	-65.26	419.34	4.24	-61.02
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1(F)CC[N@H+](C(C)(C)C)C1	REAL300028606755	1	57	0.0	-65.03	418.28	4.23	-60.80
CC1=[NH+]C=C2CC(C(=O)N3CCC(NC(=O)C4=CC(=O)[N-]O4)CC3C)CCN21	REAL300028606756	1	53	0.0	-64.87	406.25	4.64	-60.23
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300028606759	0	54	0.0	-67.72	405.40	4.35	-63.37
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1	REAL300028606759	1	54	0.0	-67.69	405.46	4.33	-63.36
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)CC(C)(C)C	REAL300028606760	0	56	0.0	-68.11	409.97	4.67	-63.44
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C	REAL300028606760	1	56	0.0	-68.01	409.92	4.58	-63.43
CC[C@@H](C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300028606769	0	50	0.0	-62.58	361.14	3.34	-59.24
CC(COCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1CCCC1	REAL300028606776	0	58	0.0	-65.31	434.12	5.14	-60.17
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCN(C)C1=CC=[NH+]C=C1	REAL300028606921	0	53	0.0	-62.53	410.01	4.19	-58.34
CC1=[NH+]C=CN1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028607029	1	46	0.0	-64.80	369.30	3.68	-61.12
CC(C[NH+]1CCOCC1)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028607031	1	55	0.0	-70.69	408.87	2.61	-68.08
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC[NH+]1CCCCC1	REAL300028607049	0	57	0.0	-67.40	421.03	5.77	-61.63
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300028607064	1	50	0.0	-75.62	391.69	3.82	-71.80
CC1=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C=CC2=C[NH+]=CN21	REAL300028607066	0	49	0.0	-67.58	392.93	5.78	-61.80
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028607112	1	52	0.0	-63.34	405.64	4.81	-58.53
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300028607159	0	55	0.0	-59.72	397.80	5.08	-54.64
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCCC2CCC[N@H+]21	REAL300028607159	1	55	0.0	-63.86	393.34	4.28	-59.58
CC[N@@H+]1CCOC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300028607190	1	52	0.0	-63.35	378.97	3.01	-60.34
CC[N@H+]1CCOC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300028607190	1	52	0.0	-73.20	390.45	2.83	-70.37
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300028607252	0	46	0.0	-69.15	366.59	5.21	-63.94
CC1=C[NH+]=CN1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028607257	1	46	0.0	-67.76	368.60	4.38	-63.38
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300028607262	0	54	0.0	-74.98	420.23	3.24	-71.74
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300028607275	0	54	0.0	-77.39	423.00	3.87	-73.52
C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)CC[N@@H+]1C	REAL300028607282	0	51	0.0	-71.57	375.81	3.24	-68.33
C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)CC[N@H+]1C	REAL300028607282	1	51	0.0	-70.31	382.57	3.31	-67.00
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028607284	1	55	0.0	-63.68	427.23	5.32	-58.36
CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)CC[N@@H+]1C	REAL300028607287	0	54	0.0	-69.66	392.78	3.64	-66.02
CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)CC[N@H+]1C	REAL300028607287	1	54	0.0	-67.38	391.51	4.44	-62.94
CC1CCC(C)[NH+]1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028607303	0	54	0.0	-61.72	392.62	4.36	-57.36
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC[NH+]1CCCC1	REAL300028607310	0	54	0.0	-69.75	411.10	4.62	-65.13
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300028607311	0	54	0.0	-70.95	415.60	5.22	-65.73
C#CC[NH+]1CCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300028607317	0	53	0.0	-73.75	406.19	4.75	-69.00
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCCCC1	REAL300028607318	0	54	0.0	-69.27	403.90	4.58	-64.69
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1C=[NH+]C2=C1CCCC2	REAL300028607336	1	53	0.0	-66.69	411.49	6.14	-60.55
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1(C[NH+](C)C)CCCCC1	REAL300028607369	0	60	0.0	-68.43	407.81	4.89	-63.54
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@H+](C)C1CCCCC1	REAL300028607373	0	60	0.0	-70.48	438.24	5.77	-64.71
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@@H+](C)C1CCCCC1	REAL300028607373	1	60	0.0	-68.18	433.95	6.13	-62.05
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1([NH+](C)C)CCCC1	REAL300028607376	0	57	0.0	-70.16	403.69	4.58	-65.58
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)C1CCC1	REAL300028607573	0	51	0.0	-66.60	386.10	4.09	-62.51
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)C1CCC1	REAL300028607573	1	51	0.0	-66.22	385.99	4.07	-62.15
CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1C(C)CCC1C	REAL300028607598	0	57	0.0	-62.02	413.22	4.46	-57.56
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCC[NH+]1CCCC1	REAL300028607617	0	57	0.0	-67.48	426.86	5.85	-61.63
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300028607620	1	54	0.0	-72.55	416.56	5.68	-66.87
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300028607620	1	54	0.0	-72.41	416.56	5.68	-66.73
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[NH+](C)CC1	REAL300028607635	0	51	0.0	-71.90	381.00	3.54	-68.36
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CCC[N@@H+]1C	REAL300028607687	0	48	0.0	-65.19	359.56	2.83	-62.36
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CCC[N@H+]1C	REAL300028607687	1	48	0.0	-67.20	358.83	2.60	-64.60
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1CCC[N@@H+]1C	REAL300028607718	0	54	0.0	-67.92	401.74	4.19	-63.73
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1CCC[N@H+]1C	REAL300028607718	1	54	0.0	-68.15	403.03	5.01	-63.14
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300028607734	0	55	0.0	-64.37	400.91	4.51	-59.86
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC2CCCC[N@H+]21	REAL300028607734	1	55	0.0	-62.54	404.13	4.85	-57.69
CCC[N@@H+]1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300028607811	0	57	0.0	-68.09	420.29	4.91	-63.18
CCC[N@H+]1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300028607811	1	57	0.0	-62.79	413.71	5.11	-57.68
CC(C)[N@@H+]1CCOC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300028607827	1	55	0.0	-67.20	396.20	3.55	-63.65
CC(C)[N@H+]1CCOC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300028607827	1	55	0.0	-67.73	400.07	3.13	-64.60
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCC(CO)CC1	REAL300028607901	0	55	0.0	-71.69	414.69	1.21	-70.48
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=C1CC2CCC(C1)[NH+]2C	REAL300028607938	0	56	0.0	-68.24	412.07	5.06	-63.18
CC1C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)CC[N@@H+]1C	REAL300028607956	0	51	0.0	-68.72	382.81	3.36	-65.36
CC1C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)CC[N@H+]1C	REAL300028607956	1	51	0.0	-69.55	377.68	3.01	-66.54
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1CCCC[N@@H+]1C	REAL300028607960	0	57	0.0	-69.59	409.45	5.27	-64.32
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1CCCC[N@H+]1C	REAL300028607960	1	57	0.0	-71.89	415.22	4.81	-67.08
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=C(CCC2)[NH+]=C1N	REAL300028607993	1	51	0.0	-58.51	391.74	3.24	-55.27
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300028608059	0	54	0.0	-64.22	373.06	3.50	-60.72
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@H+]1C(C)(C)C	REAL300028608059	1	54	0.0	-64.79	382.00	3.30	-61.49
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300028608077	0	54	0.0	-67.71	413.64	2.54	-65.17
C[C@@H](C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300028608082	0	47	0.0	-66.40	355.40	2.44	-63.96
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=NC(C[NH+](C)C)=C1	REAL300028608102	1	53	0.0	-68.19	407.05	3.77	-64.42
C=CCC(C)(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300028608108	0	54	0.0	-62.00	386.71	3.52	-58.48
CC[NH+](CC)CCSCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028608141	0	57	0.0	-69.30	433.76	5.60	-63.70
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C(N)C2=CC=CC=C2[NH+]=C1	REAL300028608142	1	50	0.0	-62.78	395.97	2.24	-60.54
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCCC1	REAL300028608147	0	51	0.0	-69.66	386.63	3.77	-65.89
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)CCO	REAL300028608156	1	48	0.0	-69.05	367.98	-0.48	-69.53
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)CCO	REAL300028608156	1	48	0.0	-68.27	367.92	-0.46	-68.73
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@@H+]2CCN1CCC2	REAL300028608194	0	54	0.0	-73.18	382.14	1.49	-71.69
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@H+]2CCN1CCC2	REAL300028608194	1	54	0.0	-71.56	386.29	1.33	-70.23
CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1CCSCC1	REAL300028608221	1	52	0.0	-68.79	398.72	4.01	-64.78
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC[N@H+](C)CC1	REAL300028608265	0	52	0.0	-68.88	400.40	4.41	-64.47
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC[N@@H+](C)CC1	REAL300028608265	1	52	0.0	-65.99	394.68	4.83	-61.16
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(O)CC[S+](C)C	REAL300028608280	0	50	0.0	-69.29	400.03	1.38	-67.91
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CN(C)CC[N@H+](C)C1	REAL300028608319	0	56	0.0	-65.67	401.43	2.43	-63.24
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CN(C)CC[N@@H+](C)C1	REAL300028608319	1	56	0.0	-69.05	406.41	1.34	-67.71
CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[N@@H+]1CCCC(O)C1	REAL300028608320	0	55	0.0	-64.74	405.29	1.39	-63.35
CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[N@H+]1CCCC(O)C1	REAL300028608320	1	55	0.0	-66.95	408.36	0.95	-66.00
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1(O)CCC[N@H+](C)C1	REAL300028608359	0	55	0.0	-67.82	397.64	2.23	-65.59
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1(O)CCC[N@@H+](C)C1	REAL300028608359	1	55	0.0	-62.88	396.16	2.48	-60.40
CC1C[NH+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300028608365	1	48	0.0	-68.45	371.11	3.21	-65.24
CC[N@@H+]1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300028608371	0	54	0.0	-62.74	390.73	4.29	-58.45
CC[N@H+]1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300028608371	1	54	0.0	-62.66	391.27	4.35	-58.31
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC=C[NH+]=C1N	REAL300028608382	0	47	0.0	-64.86	374.11	1.94	-62.92
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@@H+]1C1CC1	REAL300028608395	0	52	0.0	-65.04	386.92	3.88	-61.16
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@H+]1C1CC1	REAL300028608395	1	52	0.0	-62.89	388.10	4.28	-58.61
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=CC[NH+]1CCCC1	REAL300028608445	0	52	0.0	-70.81	401.07	4.51	-66.30
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300028608470	0	55	0.0	-68.55	410.51	4.98	-63.57
CC[N@H+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028608515	0	47	0.0	-68.14	357.63	2.76	-65.38
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1CC2C=CC1C2	REAL300028608580	0	50	0.0	-64.72	378.88	3.97	-60.75
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CC2C=CC1C2	REAL300028608580	1	50	0.0	-64.62	379.13	3.97	-60.65
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+]1CC2C=CC1C2	REAL300028608580	1	50	0.0	-64.62	379.13	3.97	-60.65
CC1=CC=C(NCCC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)N=C1	REAL300028608603	0	53	0.0	-64.35	418.75	3.53	-60.82
CC1=CC=C(NCCC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)[NH+]=C1	REAL300028608603	1	53	0.0	-64.35	418.75	3.53	-60.82
CC(OCC[NH+](C)C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028608739	0	54	0.0	-67.17	410.97	3.49	-63.68
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCOCC[NH+](C)C	REAL300028608751	0	54	0.0	-68.50	418.09	2.88	-65.62
COCCN(C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028608753	0	51	0.0	-68.01	390.17	1.94	-66.07
COCC[N@H+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028608753	1	51	0.0	-69.15	390.20	1.93	-67.22
COCC[N@@H+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028608753	1	51	0.0	-69.15	390.20	1.93	-67.22
CC(CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300028608760	0	53	0.0	-72.04	394.91	3.81	-68.23
CC[N@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C)C1CC1	REAL300028608795	0	51	0.0	-63.54	381.35	4.48	-59.06
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@@H+]2CCN1C(C)C2	REAL300028608806	0	54	0.0	-67.10	385.22	1.18	-65.92
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028608848	1	51	0.0	-67.67	405.14	2.73	-64.94
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CC2CCC1C2	REAL300028608856	0	52	0.0	-65.46	384.02	4.01	-61.45
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+]1CC2CCC1C2	REAL300028608856	1	52	0.0	-65.73	384.17	4.02	-61.71
CC(C)[NH+]1CCC(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300028608870	0	60	0.0	-63.40	433.03	6.09	-57.31
CC(C[NH+](C)C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028608884	0	50	0.0	-66.15	377.64	3.23	-62.92
C[C@H](C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300028608924	0	47	0.0	-66.69	356.21	2.43	-64.26
CC[N@@H+]1CCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028608936	0	48	0.0	-63.84	358.42	3.12	-60.72
CC[N@H+]1CCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028608936	1	48	0.0	-65.40	366.03	3.38	-62.02
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300028608949	0	57	0.0	-66.25	416.12	4.69	-61.56
CC(C)[N@H+]1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300028608949	1	57	0.0	-61.72	407.76	4.84	-56.88
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028608967	0	56	0.0	-66.11	404.54	2.74	-63.37
C#CC[N@H+]1CCCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028609017	1	53	0.0	-64.06	405.96	4.75	-59.31
C#CC[N@@H+]1CCCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028609017	1	53	0.0	-60.73	400.42	5.16	-55.57
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028609020	1	50	0.0	-61.63	394.33	2.69	-58.94
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C[NH+]=CC=C1N	REAL300028609021	0	44	0.0	-68.34	353.24	0.03	-68.31
CCCC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300028609033	0	53	0.0	-66.31	389.77	3.83	-62.48
CC(CC[NH+](C)C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028609061	0	53	0.0	-70.02	397.59	3.75	-66.27
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300028609119	0	58	0.0	-67.85	406.03	4.61	-63.24
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300028609119	1	58	0.0	-62.22	414.33	5.37	-56.85
COCCCC[N@H+](C)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028609196	0	60	0.0	-74.30	456.66	3.94	-70.36
COCCCC[N@@H+](C)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028609196	1	60	0.0	-72.31	452.30	4.36	-67.95
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300028609206	0	54	0.0	-66.60	400.08	3.64	-62.96
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC(C)(C)C[N@H+]1C	REAL300028609206	1	54	0.0	-65.81	397.24	3.78	-62.03
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCCC[NH+](C)C	REAL300028609212	0	56	0.0	-68.55	422.40	5.45	-63.10
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCC(O)CC1	REAL300028609217	0	55	0.0	-73.05	414.52	1.18	-71.87
CCC[N@@H+]1CCCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028609222	0	57	0.0	-64.59	408.15	4.61	-59.98
CCC[N@H+]1CCCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028609222	1	57	0.0	-63.67	419.98	4.94	-58.73
CC[NH+]1CCN(CCC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300028609231	0	59	0.0	-68.48	438.50	2.80	-65.68
CCN1CC[NH+](CCC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300028609231	1	59	0.0	-68.55	434.14	3.21	-65.34
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1CC[NH+](C)CC1	REAL300028609235	1	53	0.0	-68.47	398.78	1.58	-66.89
CC(C)C[NH+]1CCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300028609359	0	60	0.0	-71.34	437.51	5.65	-65.69
CC1C[N@H+](C)CC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)O1	REAL300028609362	1	52	0.0	-74.47	383.76	3.33	-71.14
CC1C[N@@H+](C)CC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)O1	REAL300028609362	1	52	0.0	-75.53	393.33	2.91	-72.62
CCC1CCC[N@H+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300028609398	0	57	0.0	-65.64	408.98	5.14	-60.50
CCC1CCC[N@@H+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300028609398	1	57	0.0	-66.74	416.55	5.58	-61.16
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C[NH+](C)C)N1	REAL300028609408	0	52	0.0	-74.45	401.64	3.69	-70.76
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CC2CC2C1	REAL300028609430	0	49	0.0	-68.31	374.62	3.91	-64.40
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1([NH+]2CCCC2)CC1	REAL300028609448	0	55	0.0	-64.98	404.95	4.90	-60.08
CC([NH2+]C1(CO)CCCC1)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028609465	0	58	0.0	-68.18	423.25	0.26	-67.92
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCCC[N@@H+]1C	REAL300028609494	0	51	0.0	-65.59	368.96	3.15	-62.44
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCCC[N@H+]1C	REAL300028609494	1	51	0.0	-67.81	373.62	3.27	-64.54
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300028609500	1	55	0.0	-71.40	431.82	5.96	-65.44
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@H+]1CC1=CC=CC=C1	REAL300028609500	1	55	0.0	-67.06	423.73	5.77	-61.29
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300028609507	0	60	0.0	-66.18	433.88	5.86	-60.32
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300028609507	1	60	0.0	-62.95	431.13	5.82	-57.13
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1CCC([NH+](C)C)CC1	REAL300028609562	0	59	0.0	-69.37	434.56	2.74	-66.63
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=C1CC[N@H+](C)C1	REAL300028609627	0	49	0.0	-72.69	377.99	3.65	-69.04
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=C1CC[N@@H+](C)C1	REAL300028609627	1	49	0.0	-71.80	376.54	3.66	-68.14
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CNC1=CC=[NH+]C=C1	REAL300028609634	0	47	0.0	-67.43	375.60	1.36	-66.07
CC[NH+]1CCN(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300028609696	0	56	0.0	-68.10	417.98	2.22	-65.88
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=C1C[NH+]2CCC1CC2	REAL300028609697	0	53	0.0	-65.49	391.05	4.89	-60.60
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300028609756	0	55	0.0	-65.07	405.81	1.72	-63.35
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O	REAL300028609756	1	55	0.0	-66.50	412.23	1.26	-65.24
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[NH+](C2CCOCC2)C1	REAL300028609765	0	56	0.0	-73.00	423.73	3.00	-70.00
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@@H]1CCC[N@@H+]1C	REAL300028609780	0	48	0.0	-66.36	358.45	2.61	-63.75
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@@H]1CCC[N@H+]1C	REAL300028609780	1	48	0.0	-64.52	361.36	2.85	-61.67
CCN1CCOCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028609818	0	55	0.0	-69.93	403.64	2.46	-67.47
CC[N@@H+]1CCOCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028609818	1	55	0.0	-71.46	407.77	2.61	-68.85
CC[N@H+]1CCOCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028609818	1	55	0.0	-71.46	407.77	2.61	-68.85
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[NH+](C2CCCCC2)C1	REAL300028609844	0	58	0.0	-70.90	430.56	5.39	-65.51
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1=CC=C(N)[NH+]=C1	REAL300028609872	0	50	0.0	-66.66	398.84	2.66	-64.00
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC2=C[NH+]=CN2C=C1	REAL300028609879	0	49	0.0	-67.97	394.30	6.30	-61.67
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C2NC(N)=[NH+]C2=C1	REAL300028609920	1	48	0.0	-67.22	381.52	2.98	-64.24
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300028609965	0	51	0.0	-70.21	390.50	3.78	-66.43
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1C(C)CCCC1C	REAL300028609977	0	60	0.0	-65.41	432.97	5.25	-60.16
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC([NH+](C)C)CC1	REAL300028609980	0	57	0.0	-65.86	408.02	4.49	-61.37
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300028609984	0	57	0.0	-66.05	409.85	4.51	-61.54
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC=CC[N@@H+]1C	REAL300028609985	0	52	0.0	-70.72	390.90	4.18	-66.54
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC=CC[N@H+]1C	REAL300028609985	1	52	0.0	-70.72	390.90	4.18	-66.54
CC1=CC(C=CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)=CN=C1N	REAL300028610047	0	51	0.0	-68.71	403.94	3.07	-65.64
CC1=CC(C=CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)=C[NH+]=C1N	REAL300028610047	1	51	0.0	-68.71	403.94	3.07	-65.64
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)COCC[NH+](C)C	REAL300028610062	0	51	0.0	-67.34	391.37	3.44	-63.90
CCCCC[N@H+](C)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028610069	0	59	0.0	-69.54	440.12	6.07	-63.47
CCCCC[N@@H+](C)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028610069	1	59	0.0	-69.54	440.12	6.07	-63.47
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300028610081	0	55	0.0	-69.60	414.53	4.06	-65.54
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1C=CSC1=[NH2+]	REAL300028610107	0	44	0.0	-63.99	366.97	2.25	-61.74
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028610186	0	54	0.0	-66.30	410.74	3.50	-62.80
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCCCCC1	REAL300028610244	0	57	0.0	-68.69	409.56	5.17	-63.52
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCCCC1	REAL300028610248	0	51	0.0	-65.52	377.26	4.34	-61.18
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@H+](C)C1	REAL300028610250	0	51	0.0	-70.26	385.45	3.59	-66.67
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@@H+](C)C1	REAL300028610250	1	51	0.0	-63.15	374.53	3.72	-59.43
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCC(CO)CC1	REAL300028610252	0	55	0.0	-71.69	414.69	1.21	-70.48
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCCCCC1	REAL300028610258	0	54	0.0	-67.99	392.39	4.07	-63.92
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N+]1=CN(C)C=C1	REAL300028610265	0	46	0.0	-65.72	371.13	5.59	-60.13
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300028610283	1	51	0.0	-72.18	401.65	3.68	-68.50
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C[NH+](C)C)N=C1	REAL300028610291	0	53	0.0	-72.30	411.31	3.65	-68.65
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCC(O)CC1	REAL300028610305	0	52	0.0	-72.38	394.08	0.56	-71.82
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)C1CC1	REAL300028610312	1	48	0.0	-66.05	370.54	3.44	-62.61
CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C)N1CC[NH+](C)CC1	REAL300028610314	1	56	0.0	-69.08	414.30	1.98	-67.10
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@H+]1CCC(F)C1	REAL300028610319	1	51	0.0	-74.83	395.44	3.90	-70.93
CC(CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C)C[NH+](C)C	REAL300028610354	0	53	0.0	-68.06	392.72	4.53	-63.53
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@@H+]2CCOCC12	REAL300028610374	0	53	0.0	-70.31	390.67	2.60	-67.71
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@H+]2CCOCC12	REAL300028610374	1	53	0.0	-68.11	392.03	2.02	-66.09
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(NC(=O)C4=CC(=O)[N-]O4)CC3C)=CN21	REAL300028610382	0	49	0.0	-64.94	388.96	5.00	-59.94
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1COCCN1C	REAL300028610403	0	52	0.0	-72.65	385.73	2.34	-70.31
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1COCC[N@@H+]1C	REAL300028610403	1	52	0.0	-65.58	383.02	1.81	-63.77
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1COCC[N@H+]1C	REAL300028610403	1	52	0.0	-72.65	385.73	2.34	-70.31
CC[NH+]1CCN(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300028610414	0	56	0.0	-68.10	417.98	2.22	-65.88
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028610468	1	47	0.0	-66.95	371.61	1.32	-65.63
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1=CC=C(N)[NH+]=C1	REAL300028610471	0	50	0.0	-66.66	398.84	2.66	-64.00
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+]1CCC(C)(O)C1	REAL300028610525	1	52	0.0	-67.76	395.83	0.52	-67.24
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=NN1CC[NH+](C)C	REAL300028610535	0	54	0.0	-68.34	412.39	3.70	-64.64
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1C[NH+](C)C1	REAL300028610566	0	48	0.0	-70.04	372.71	2.90	-67.14
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@@H+]1C1CCCC1	REAL300028610572	0	55	0.0	-67.29	410.77	5.00	-62.29
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@H+]1C1CCCC1	REAL300028610572	1	55	0.0	-68.17	411.02	4.79	-63.38
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+](C)C	REAL300028610582	0	44	0.0	-69.56	341.27	2.04	-67.52
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@H+](C)CCO	REAL300028610623	0	51	0.0	-68.11	385.98	0.55	-67.56
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@@H+](C)CCO	REAL300028610623	1	51	0.0	-69.39	390.14	0.16	-69.23
C[C@@H](C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300028610624	0	47	0.0	-66.40	355.40	2.44	-63.96
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CCCC[N@@H+]1C	REAL300028610644	0	54	0.0	-62.57	391.65	4.18	-58.39
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CCCC[N@H+]1C	REAL300028610644	1	54	0.0	-70.15	398.97	4.32	-65.83
CC1=C2C=C(C(=O)N3CCC(NC(=O)C4=CC(=O)[N-]O4)CC3C)C=CN2C=[NH+]1	REAL300028610670	1	49	0.0	-70.03	389.73	5.81	-64.22
CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1CC(C)C1	REAL300028610671	0	51	0.0	-65.30	379.22	3.28	-62.02
CC1CC[N@H+]1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028610676	1	48	0.0	-65.11	366.80	3.57	-61.54
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=CC[NH+](C)C	REAL300028610691	0	48	0.0	-73.03	377.39	3.30	-69.73
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CC(C)(C)C1	REAL300028610705	1	51	0.0	-68.23	390.26	3.66	-64.57
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCC[NH+]1CCCCC1	REAL300028610719	0	60	0.0	-70.07	447.82	6.07	-64.00
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)N1	REAL300028610732	1	52	0.0	-63.61	410.12	3.42	-60.19
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1(C2CC[NH+](C)CC2)CC1	REAL300028610742	0	58	0.0	-73.67	422.51	5.57	-68.10
CC1=C2C=C(C(=O)N3CCC(NC(=O)C4=CC(=O)[N-]O4)CC3C)C=CN2C=[NH+]1	REAL300028610751	1	49	0.0	-70.03	389.73	5.81	-64.22
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CSCC[NH+](C)C	REAL300028610761	0	51	0.0	-71.24	402.43	4.49	-66.75
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=C(CCCC2)[NH+]=C1N	REAL300028610783	1	54	0.0	-60.36	415.65	3.43	-56.93
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+]1CCCC1CO	REAL300028610791	1	52	0.0	-65.15	390.42	1.02	-64.13
CC[NH+](CC)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028610794	0	50	0.0	-64.39	367.08	3.55	-60.84
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)C1CCSC1	REAL300028610807	1	52	0.0	-73.70	399.22	4.34	-69.36
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCC1	REAL300028610809	1	45	0.0	-68.48	350.19	2.58	-65.90
CC[NH+](CC)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028610854	0	53	0.0	-69.56	399.22	4.02	-65.54
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCC(C(N)=O)CC1	REAL300028610876	0	55	0.0	-78.52	413.19	1.01	-77.51
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(C[NH+](C)C)=CN1	REAL300028610922	0	52	0.0	-71.02	403.09	3.61	-67.41
CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1CCC(O)CC1	REAL300028610942	0	55	0.0	-68.24	403.93	0.65	-67.59
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2COCC[N@@H+]2C1	REAL300028610948	0	53	0.0	-65.74	390.07	2.68	-63.06
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2COCC[N@H+]2C1	REAL300028610948	1	53	0.0	-67.99	395.15	2.34	-65.65
CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1CCC1	REAL300028610964	0	48	0.0	-66.23	370.29	2.99	-63.24
CCC(CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C)C[NH+](C)C	REAL300028610974	0	56	0.0	-69.48	410.31	5.13	-64.35
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=CC1=CC=C(N)[NH+]=C1	REAL300028610981	0	48	0.0	-67.93	381.91	2.71	-65.22
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CCCC[N@@H+]1C	REAL300028611046	0	51	0.0	-64.13	380.32	3.69	-60.44
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CCCC[N@H+]1C	REAL300028611046	1	51	0.0	-65.65	369.19	3.21	-62.44
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@@H+]2CCN1CC2C	REAL300028611060	0	54	0.0	-72.40	390.67	0.66	-71.74
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@H+]2CCN1CC2C	REAL300028611060	1	54	0.0	-72.87	389.24	0.58	-72.29
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC(O)C[NH+](C)C	REAL300028611085	0	51	0.0	-71.36	388.20	1.41	-69.95
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCC(C1)[NH+]2C	REAL300028611088	0	55	0.0	-73.54	398.11	4.06	-69.48
C=CCC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300028611134	0	51	0.0	-65.82	381.61	3.57	-62.25
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCCC[N@@H+]2C1	REAL300028611144	0	55	0.0	-66.79	405.01	4.67	-62.12
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCCC[N@H+]2C1	REAL300028611144	1	55	0.0	-67.98	404.56	4.55	-63.43
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1(O)CC[NH+](C)CC1	REAL300028611160	0	55	0.0	-71.26	411.72	2.39	-68.87
COCC[N@@H+]1CCCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028611175	0	58	0.0	-66.71	424.84	3.84	-62.87
COCC[N@H+]1CCCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300028611175	1	58	0.0	-62.73	433.30	3.69	-59.04
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC2CCC(C1)[NH+]2C	REAL300028611184	0	58	0.0	-70.17	406.96	4.54	-65.63
CC1CC(NC(=O)C2=CC=NN2CC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028611222	0	54	0.0	-67.45	418.21	3.38	-64.07
CC1CC(NC(=O)C2(C3CC[NH+](C)CC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028611269	0	58	0.0	-73.49	423.50	5.37	-68.12
CC1=C2C=C(C(=O)NC3CCN(C(=O)C4=CC(=O)[N-]O4)C(C)C3)C=CN2C=[NH+]1	REAL300028611281	1	49	0.0	-73.93	390.37	5.86	-68.07
CC1CC(NC(=O)CSCC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028611292	0	51	0.0	-76.52	403.77	3.87	-72.65
CC1CC(NC(=O)C2CC3COCC[N@@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028611304	0	53	0.0	-72.90	395.64	2.27	-70.63
CC1CC(NC(=O)C2CC3COCC[N@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028611304	1	53	0.0	-73.16	391.00	2.57	-70.59
C[C@@H](CCNC(=O)C1CCC[N@@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL300028611425	0	44	0.0	-70.82	349.74	0.68	-70.14
C[C@@H](CCNC(=O)C1CCC[N@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL300028611425	1	44	0.0	-72.47	349.75	0.68	-71.79
C[C@@H](CCNC(=O)C1C[N@H+](C)CCO1)NC(=O)C1=CC(=O)[N-]O1	REAL300028611446	1	45	0.0	-86.97	367.12	0.58	-86.39
C[C@@H](CCNC(=O)C1C[N@@H+](C)CCO1)NC(=O)C1=CC(=O)[N-]O1	REAL300028611446	1	45	0.0	-78.39	360.00	0.43	-77.96
CC(C)C1=[NH+]C=CN1CCC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028611632	1	51	0.0	-68.19	415.15	3.30	-64.89
CC(C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300028611640	0	53	0.0	-68.47	399.81	2.54	-65.93
CC(C)[N@H+]1CCCCC1C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028611643	0	53	0.0	-66.74	396.68	2.72	-64.02
CC(C)[N@@H+]1CCCCC1C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028611643	1	53	0.0	-66.00	402.85	2.63	-63.37
CC(C)[N@H+]1CCCC1C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028611679	0	50	0.0	-67.91	388.54	2.25	-65.66
CC(C)[N@@H+]1CCCC1C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028611679	1	50	0.0	-71.36	382.61	2.40	-68.96
C[C@@H](CCNC(=O)C1CC2CCCC[N@@H+]2C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028611709	0	51	0.0	-75.59	397.28	2.89	-72.70
C[C@@H](CCNC(=O)C1CC2CCCC[N@H+]2C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028611709	1	51	0.0	-73.87	397.24	2.90	-70.97
CC(C)C1=[NH+]C=CN1CC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028611749	1	48	0.0	-67.85	395.47	2.86	-64.99
CC1=[NH+]C=CN1CC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028611811	1	42	0.0	-69.18	359.17	1.75	-67.43
CC(C[NH+]1CCOCC1)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028611813	0	51	0.0	-75.14	401.04	0.87	-74.27
C[C@@H](CCNC(=O)CCC[NH+]1CCCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028611836	0	53	0.0	-74.43	414.79	3.34	-71.09
C[C@@H](CCNC(=O)C(C)(C)[NH+]1CCCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028611877	0	53	0.0	-73.65	399.09	3.11	-70.54
C[C@@H](CCNC(=O)C1CC[N@@H+](C2CCCCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028611880	0	57	0.0	-73.61	435.60	4.10	-69.51
C[C@@H](CCNC(=O)C1CC[N@H+](C2CCCCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028611880	1	57	0.0	-75.09	435.08	4.01	-71.08
C[C@@H](CCNC(=O)C1C[NH+]2CCC1CC2)NC(=O)C1=CC(=O)[N-]O1	REAL300028611898	0	48	0.0	-81.39	371.00	1.93	-79.46
C[C@@H](CCNC(=O)C1CCCC2CCC[N@@H+]21)NC(=O)C1=CC(=O)[N-]O1	REAL300028611965	0	51	0.0	-65.63	394.32	2.97	-62.66
C[C@@H](CCNC(=O)C1CCCC2CCC[N@H+]21)NC(=O)C1=CC(=O)[N-]O1	REAL300028611965	1	51	0.0	-68.62	385.88	2.67	-65.95
C[C@@H](CCNC(=O)C1=CN(CC[NH+](C)C)N=C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028611968	0	50	0.0	-82.40	414.05	1.62	-80.78
C[C@@H](CCNC(=O)C1=NN(CC[NH+](C)C)C=C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028611985	0	50	0.0	-88.87	414.42	1.63	-87.24
C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL300028611993	0	47	0.0	-77.08	366.28	1.10	-75.98
C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL300028611993	1	47	0.0	-73.54	371.81	1.63	-71.91
CCC1=[NH+]C=CN1C(C)CC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028611997	1	51	0.0	-68.37	415.69	3.34	-65.03
CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028612000	0	50	0.0	-74.35	386.75	1.81	-72.54
CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028612000	1	50	0.0	-71.55	390.75	2.34	-69.21
CC[N@@H+]1CCOC(C(=O)NCC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028612030	1	48	0.0	-74.20	377.78	1.08	-73.12
CC[N@H+]1CCOC(C(=O)NCC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028612030	1	48	0.0	-77.49	377.81	1.07	-76.42
CC[NH+](CC)CC(F)C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028612105	0	49	0.0	-72.98	389.01	1.87	-71.11
C[C@@H](CCNC(=O)C1=C(C[NH+](C)C)C=CS1)NC(=O)C1=CC(=O)[N-]O1	REAL300028612106	0	47	0.0	-60.19	394.87	2.75	-57.44
C[C@@H](CCNC(=O)C[NH+]1C(C)CCC1C)NC(=O)C1=CC(=O)[N-]O1	REAL300028612235	0	50	0.0	-68.95	386.88	2.16	-66.79
C[C@@H](CCNC(=O)CCC[NH+]1CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028612246	0	50	0.0	-74.14	399.57	2.68	-71.46
C[C@@H](CCNC(=O)C1=CC=CC(C[NH+](C)C)=C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028612247	0	50	0.0	-77.11	407.94	3.62	-73.49
C#CC[NH+]1CCC(C(=O)NCC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028612257	0	49	0.0	-81.81	399.49	3.00	-78.81
C[C@@H](CCNC(=O)CC[NH+]1CCCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028612259	0	50	0.0	-73.85	393.29	2.53	-71.32
C[C@@H](CCNC(=O)C1=CC=CC=C1C[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL300028612263	0	50	0.0	-61.29	400.57	3.86	-57.43
CC[N@@H+]1CCCCC1C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028612275	0	50	0.0	-69.09	380.10	2.22	-66.87
CC[N@H+]1CCCCC1C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028612275	1	50	0.0	-68.34	380.09	2.22	-66.12
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C[C@@H](CCNC(=O)CCCC[NH+]1CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028612704	0	53	0.0	-75.21	421.07	3.45	-71.76
C[C@@H](CCNC(=O)C[N@H+](C)CC1=CC=CC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028612707	1	50	0.0	-76.73	406.45	3.72	-73.01
C[C@@H](CCNC(=O)C[N@@H+](C)CC1=CC=CC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028612707	1	50	0.0	-76.88	406.39	3.72	-73.16
C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028612725	0	47	0.0	-79.26	374.33	1.81	-77.45
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C[C@@H](CCNC(=O)C1CCCC[N@@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL300028612859	0	47	0.0	-69.53	371.70	1.72	-67.81
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C[C@@H](CCNC(=O)C1=CC=C(CC[NH+](C)C)C=C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028614335	0	53	0.0	-86.09	430.38	4.47	-81.62
C[C@@H](CCNC(=O)C[N@@H+]1CCC(C)(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028614337	0	50	0.0	-71.76	395.31	2.39	-69.37
C[C@@H](CCNC(=O)C[N@H+]1CCC(C)(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028614337	1	50	0.0	-71.27	394.78	2.38	-68.89
C[C@@H](CCNC(=O)C[N@H+](C)CC(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL300028614338	0	52	0.0	-71.80	399.52	2.68	-69.12
C[C@@H](CCNC(=O)C[N@@H+](C)CC(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL300028614338	1	52	0.0	-72.23	397.57	2.54	-69.69
C[C@@H](CCNC(=O)C[N@H+](C)CCC1=CC=CC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028614339	0	53	0.0	-75.45	428.88	4.57	-70.88
C[C@@H](CCNC(=O)C[N@@H+](C)CCC1=CC=CC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028614339	1	53	0.0	-75.52	428.88	4.58	-70.94
CC[C@@H](C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028614351	0	46	0.0	-68.22	359.98	1.16	-67.06
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C[C@@H](CCNC(=O)C1CC[NH+](CC2CC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028614476	0	54	0.0	-79.00	423.51	4.01	-74.99
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C[C@@H](CCNC(=O)CC1(O)CC[NH+](C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028614647	0	51	0.0	-71.54	397.37	0.53	-71.01
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C[C@@H](CCNC(=O)C[NH+]1CCC(CO)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028614666	0	51	0.0	-73.57	403.53	-0.69	-74.26
C[C@@H](CCNC(=O)C[NH+]1CCCCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028614670	0	50	0.0	-71.50	380.82	2.20	-69.30
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C[C@@H](CCNC(=O)C1CCC[N@@H+]1C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028614693	0	48	0.0	-67.70	387.24	2.64	-65.06
C[C@@H](CCNC(=O)C1CCC[N@H+]1C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028614693	1	48	0.0	-71.70	380.15	2.00	-69.70
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C[C@@H](CCNC(=O)C(C)(C)C[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL300028614755	0	49	0.0	-69.06	377.27	1.83	-67.23
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C[C@@H](CCNC(=O)C12CC(C1)C[N@H+]2C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028614779	1	49	0.0	-75.34	387.78	3.45	-71.89
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C[C@@H](CCNC(=O)C[N@H+](C)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028614809	0	44	0.0	-69.63	359.14	1.54	-68.09
C[C@@H](CCNC(=O)C[N@@H+](C)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028614809	1	44	0.0	-69.80	359.15	1.54	-68.26
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C[C@@H](CCNC(=O)CC1C[NH+](C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028614846	0	44	0.0	-73.46	361.19	0.97	-72.49
C[C@@H](CCNC(=O)C1CC[N@@H+]1C1CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028614850	0	51	0.0	-71.72	395.74	2.63	-69.09
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C[C@@H](CCNC(=O)C=C1CC[N@H+](C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028615188	0	45	0.0	-77.15	368.59	1.68	-75.47
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C[C@@H](CCNC(=O)C1C[NH+](C2CCCCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028615218	0	54	0.0	-76.66	421.71	3.48	-73.18
C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL300028615239	0	47	0.0	-73.69	385.60	1.20	-72.49
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C[C@@H](CCNC(=O)C1(C2(O)CC[NH+](C)CC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028617250	0	55	0.0	-67.10	420.28	1.05	-66.05
C[C@@H](CCNC(=O)C1(CC[NH+]2CCCCC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028617278	0	57	0.0	-77.30	447.14	4.55	-72.75
CC(C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300028617304	1	48	0.0	-72.65	385.12	1.98	-70.67
CCC1C[NH+](CC(=O)NCC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028617307	1	47	0.0	-73.41	382.37	2.00	-71.41
C[C@@H](CCNC(=O)C1C[NH+](C2CCOCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028617309	0	52	0.0	-78.82	412.93	1.09	-77.73
C[C@@H](CCNC(=O)C1([NH+]2CCCC2)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028617311	0	51	0.0	-75.47	390.01	2.80	-72.67
C[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL300028617322	1	44	0.0	-68.26	355.44	1.11	-67.15
C[C@@H](CCNC(=O)CC[N@H+]1CCC(F)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028617332	1	47	0.0	-77.24	383.93	1.95	-75.29
COC1C[N@@H+](C)C(C)(C(=O)NCC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028617343	1	51	0.0	-77.87	400.14	0.60	-77.27
C[C@@H](CCNC(=O)CC[NH+]1CCCCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028617357	0	53	0.0	-75.70	403.76	2.77	-72.93
C[C@@H](CCNC(=O)C[NH+]1CCCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028617361	0	47	0.0	-71.94	371.46	2.00	-69.94
C[C@@H](CCNC(=O)C1CC[N@H+](C)C1C)NC(=O)C1=CC(=O)[N-]O1	REAL300028617371	0	47	0.0	-71.43	370.90	1.37	-70.06
C[C@@H](CCNC(=O)C1CC[N@@H+](C)C1C)NC(=O)C1=CC(=O)[N-]O1	REAL300028617371	1	47	0.0	-72.57	370.94	1.33	-71.24
C[C@@H](CCNC(=O)CCC1CCCC[N@@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL300028617374	0	53	0.0	-72.56	410.77	3.05	-69.51
C[C@@H](CCNC(=O)CCC1CCCC[N@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL300028617374	1	53	0.0	-72.02	410.81	3.05	-68.97
C[C@@H](CCNC(=O)C1CC[N@@H+]2CCOCC12)NC(=O)C1=CC(=O)[N-]O1	REAL300028617415	0	49	0.0	-78.38	388.67	0.40	-77.98
C[C@@H](CCNC(=O)C1CC[N@H+]2CCOCC12)NC(=O)C1=CC(=O)[N-]O1	REAL300028617415	1	49	0.0	-69.09	384.97	0.47	-68.62
CC1=[NH+]C=C2C=CC(C(=O)NCC[C@H](C)NC(=O)C3=CC(=O)[N-]O3)=CN21	REAL300028617424	0	45	0.0	-71.60	381.33	3.42	-68.18
C[C@@H](CCNC(=O)CC1COCCN1C)NC(=O)C1=CC(=O)[N-]O1	REAL300028617446	0	48	0.0	-66.62	372.87	-0.19	-66.81
C[C@@H](CCNC(=O)CC1COCC[N@@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL300028617446	1	48	0.0	-68.83	372.87	-0.19	-69.02
C[C@@H](CCNC(=O)CC1COCC[N@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL300028617446	1	48	0.0	-66.62	372.87	-0.19	-66.81
CC1=C(C)[NH+]=C(CCC(=O)NCC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)N1	REAL300028617460	1	48	0.0	-68.85	399.97	1.43	-67.42
C[C@@H](CCNC(=O)C1=CC=CC(CC[NH+](C)C)=C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028617473	0	53	0.0	-78.34	430.38	4.45	-73.89
C[C@@H](CCNC(=O)C1CCN1CC1=CC=CC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028617478	0	51	0.0	-71.21	413.47	4.01	-67.20
C[C@@H](CCNC(=O)C1CC[N@@H+]1CC1=CC=CC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028617478	1	51	0.0	-70.80	414.19	3.81	-66.99
C[C@@H](CCNC(=O)C1CC[N@H+]1CC1=CC=CC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028617478	1	51	0.0	-71.21	413.47	4.01	-67.20
CC(C)C[N@@H+]1CCCC(C(=O)NCC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028617482	0	56	0.0	-66.36	424.66	4.03	-62.33
CC(C)C[N@H+]1CCCC(C(=O)NCC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028617482	1	56	0.0	-73.24	431.19	3.85	-69.39
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC[N@H+]1C	REAL300028617616	1	44	0.0	-64.54	349.74	0.67	-63.87
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CN(C)CCO1	REAL300028617638	0	45	0.0	-78.34	367.12	0.57	-77.77
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C[N@H+](C)CCO1	REAL300028617638	1	45	0.0	-73.21	359.98	0.42	-72.79
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C[N@@H+](C)CCO1	REAL300028617638	1	45	0.0	-78.34	367.12	0.57	-77.77
CC1=[NH+]C=CN1CCCC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028617794	1	48	0.0	-65.91	400.71	3.01	-62.90
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCC[NH+]1CCOCC1	REAL300028617798	1	54	0.0	-72.80	428.01	1.72	-71.08
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300028617804	0	50	0.0	-75.43	407.88	3.61	-71.82
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC[NH+]1CCOCC1	REAL300028617805	1	48	0.0	-71.51	385.01	0.12	-71.39
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C1=CC=CC=C1)[NH+](C)C	REAL300028617827	0	53	0.0	-72.39	403.85	3.61	-68.78
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C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C12CCC[NH+]1CCC2	REAL300028617857	0	48	0.0	-65.46	374.40	2.12	-63.34
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300028617877	1	42	0.0	-72.91	360.18	3.65	-69.26
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCC([NH+](C)C)C1	REAL300028617967	0	53	0.0	-63.71	402.03	2.79	-60.92
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C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC[N@@H+](C)C1	REAL300028617974	1	47	0.0	-69.32	376.54	1.69	-67.63
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C[NH+]=CC=C1N(C)C	REAL300028617988	0	46	0.0	-73.33	380.46	0.93	-72.40
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C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300028618004	1	45	0.0	-78.00	389.44	1.56	-76.44
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C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCC[NH+](C)C	REAL300028618102	0	49	0.0	-70.88	395.10	2.26	-68.62
CC(C)C(C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028618129	0	49	0.0	-65.90	373.96	1.68	-64.22
CCC[N@H+](C)CCC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028618131	0	49	0.0	-69.49	391.34	2.08	-67.41
CCC[N@@H+](C)CCC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028618131	1	49	0.0	-69.44	391.34	2.08	-67.36
CCC[N@H+](C)CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028618138	0	46	0.0	-66.98	368.97	1.54	-65.44
CCC[N@@H+](C)CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028618138	1	46	0.0	-67.07	368.97	1.54	-65.53
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C12CC[N@H+](C1)CCC2	REAL300028618171	0	48	0.0	-68.01	371.46	1.35	-66.66
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300028618171	1	48	0.0	-69.32	371.38	1.32	-68.00
CCCCCC[N@H+](C)CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028618227	0	55	0.0	-68.12	433.46	3.88	-64.24
CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028618227	1	55	0.0	-68.31	433.46	3.88	-64.43
CC[NH+](CC)C(C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300028618240	0	55	0.0	-61.49	404.56	3.39	-58.10
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+]1CCC(C)CC1	REAL300028618289	0	50	0.0	-67.25	392.70	2.62	-64.63
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300028618323	1	45	0.0	-76.66	389.04	1.55	-75.11
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)COC1CC[NH+](C)CC1	REAL300028618333	0	51	0.0	-74.57	409.69	2.21	-72.36
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300028618409	0	51	0.0	-65.84	397.41	2.79	-63.05
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC2CCCC[N@H+]2C1	REAL300028618409	1	51	0.0	-64.25	396.94	2.84	-61.41
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C[NH+](C)C)CC1	REAL300028618430	0	47	0.0	-70.97	381.43	1.87	-69.10
CC1=[NH+]C=C2CCC(C(=O)N[C@@H](C)CCNC(=O)C3=CC(=O)[N-]O3)CN21	REAL300028618431	1	49	0.0	-62.99	397.37	2.86	-60.13
CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028618444	0	53	0.0	-67.57	404.97	2.74	-64.83
CC[N@H+](C)CCC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028618484	0	46	0.0	-68.84	369.84	1.34	-67.50
CC[N@@H+](C)CCC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028618484	1	46	0.0	-68.69	369.84	1.33	-67.36
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)[NH+]1CCCCC1	REAL300028618528	0	53	0.0	-66.54	399.17	3.10	-63.44
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300028618531	0	57	0.0	-65.60	435.21	4.04	-61.56
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300028618531	1	57	0.0	-67.74	436.31	4.03	-63.71
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C[NH+]2CCC1CC2	REAL300028618549	0	48	0.0	-68.55	371.09	1.93	-66.62
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC[NH+](C)CC1	REAL300028618652	0	47	0.0	-70.23	374.30	1.79	-68.44
CC(C)[C@H](C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028618673	0	49	0.0	-64.05	379.37	2.18	-61.87
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC[NH+](CC2CC2)CC1	REAL300028618781	0	54	0.0	-70.63	423.51	4.00	-66.63
CC[NH+](CC)CC(F)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028618834	0	49	0.0	-70.31	393.06	2.14	-68.17
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C(C[NH+](C)C)C=CS1	REAL300028618835	0	47	0.0	-62.49	394.85	2.74	-59.75
CC(C)C[N@@H+]1CCC(C(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028618885	0	53	0.0	-68.29	415.67	3.10	-65.19
CC(C)C[N@H+]1CCC(C(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028618885	1	53	0.0	-67.70	414.49	3.04	-64.66
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1([NH+](C)C)CCC1	REAL300028618889	0	47	0.0	-68.93	359.92	1.64	-67.29
CCC(C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300028618930	0	52	0.0	-60.85	395.90	2.43	-58.42
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@@H+]1CCCC1C	REAL300028618963	0	47	0.0	-64.45	375.09	1.92	-62.53
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@H+]1CCCC1C	REAL300028618963	1	47	0.0	-63.92	368.38	1.49	-62.43
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028619075	1	51	0.0	-62.82	415.15	3.26	-59.56
CC(C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300028619083	0	53	0.0	-63.73	398.76	2.58	-61.15
CC(C)[N@H+]1CCCCC1C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028619086	0	53	0.0	-62.37	396.70	2.69	-59.68
CC(C)[N@@H+]1CCCCC1C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028619086	1	53	0.0	-62.28	402.86	2.64	-59.64
CC(C)[N@H+]1CCCC1C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028619122	0	50	0.0	-65.50	377.43	2.08	-63.42
CC(C)[N@@H+]1CCCC1C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028619122	1	50	0.0	-63.00	378.97	2.27	-60.73
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC[N@@H+]1C1CCOCC1	REAL300028619131	0	55	0.0	-66.04	420.75	1.58	-64.46
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC[N@H+]1C1CCOCC1	REAL300028619131	1	55	0.0	-67.51	409.91	1.59	-65.92
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(CN1C=CC=N1)[NH+](C)C	REAL300028619133	1	50	0.0	-64.30	402.73	1.37	-62.93
CC(C)[N@H+]1CCCC1CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028619140	0	53	0.0	-59.89	400.26	2.22	-57.67
CC(C)[N@@H+]1CCCC1CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028619140	1	53	0.0	-65.76	408.08	2.76	-63.00
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300028619141	0	54	0.0	-66.55	401.00	3.15	-63.40
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC[N@H+]1C1CCCC1	REAL300028619141	1	54	0.0	-64.61	415.69	3.52	-61.09
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CC(C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300028621274	1	48	0.0	-68.19	385.12	1.97	-66.22
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=CC[N@H+](C)CC1	REAL300028621335	0	48	0.0	-68.45	388.88	2.45	-66.00
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=CC[N@@H+](C)CC1	REAL300028621335	1	48	0.0	-66.99	388.89	2.45	-64.54
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(=O)N(C2C[NH+](C)C2)C1	REAL300028621349	1	52	0.0	-70.97	418.35	0.83	-70.14
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(O)CC[S+](C)C	REAL300028621357	0	46	0.0	-68.00	394.59	-0.21	-68.21
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC(O)C[N@@H+]1C	REAL300028621390	0	48	0.0	-70.72	376.18	-1.72	-72.44
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC(O)C[N@H+]1C	REAL300028621390	1	48	0.0	-73.24	374.07	-1.19	-74.43
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CN(C)CC[N@H+](C)C1	REAL300028621408	0	52	0.0	-69.03	402.12	0.29	-68.74
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CN(C)CC[N@@H+](C)C1	REAL300028621408	1	52	0.0	-65.04	400.98	-0.11	-65.15
CC(C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300028621409	0	51	0.0	-64.21	398.72	-0.76	-64.97
CC(C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1)[N@H+]1CCCC(O)C1	REAL300028621409	1	51	0.0	-66.20	398.72	-0.77	-66.97
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C(N)[NH+]=CC2=C1CCC2	REAL300028621447	0	47	0.0	-66.92	390.31	0.93	-65.99
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1(O)CCC[N@H+](C)C1	REAL300028621457	0	51	0.0	-62.58	400.05	0.47	-62.11
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1(O)CCC[N@@H+](C)C1	REAL300028621457	1	51	0.0	-63.05	390.35	0.28	-62.77
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+]1CC(C)C1	REAL300028621464	1	44	0.0	-67.66	359.82	1.29	-66.37
CC[N@@H+]1CCCC(C(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028621472	0	50	0.0	-66.33	391.97	2.40	-63.93
CC[N@H+]1CCCC(C(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028621472	1	50	0.0	-62.26	385.72	2.61	-59.65
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=CC=C[NH+]=C1N	REAL300028621488	0	43	0.0	-63.74	363.99	-0.08	-63.82
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC[N@@H+]1C1CC1	REAL300028621504	0	48	0.0	-68.01	380.40	2.14	-65.87
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC[N@H+]1C1CC1	REAL300028621504	1	48	0.0	-63.15	380.20	1.98	-61.17
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC1[N@@H+]1CCOC(C)C1	REAL300028621541	0	55	0.0	-66.52	433.56	1.99	-64.53
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC1[N@H+]1CCOC(C)C1	REAL300028621541	1	55	0.0	-67.87	426.73	1.95	-65.92
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C(C[NH+]2CCCC2)O1	REAL300028621562	0	51	0.0	-72.18	419.65	3.07	-69.11
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC[NH+]1CCCC1	REAL300028621569	0	48	0.0	-71.28	392.04	2.53	-68.75
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC[NH+](C2CC2)CC1	REAL300028621603	0	51	0.0	-67.75	399.15	2.99	-64.76
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1CC2C=CC1C2	REAL300028621746	0	46	0.0	-65.00	369.72	2.12	-62.88
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@@H+]1CC2C=CC1C2	REAL300028621746	1	46	0.0	-65.00	368.81	2.09	-62.91
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@H+]1CC2C=CC1C2	REAL300028621746	1	46	0.0	-65.00	368.81	2.09	-62.91
CC1=CC=C(NCCC(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)N=C1	REAL300028621773	0	49	0.0	-64.61	408.61	1.51	-63.10
CC1=CC=C(NCCC(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)[NH+]=C1	REAL300028621773	1	49	0.0	-64.61	408.61	1.51	-63.10
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C[NH+]2CCCC2)CCCC1	REAL300028621830	0	57	0.0	-60.00	423.98	4.25	-55.75
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C[NH+]2CCN1CC2	REAL300028621861	0	47	0.0	-69.68	366.08	-1.41	-71.09
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C12CCC[N@@H+]1CCCC2	REAL300028621933	0	51	0.0	-61.73	383.58	2.70	-59.03
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C12CCC[N@H+]1CCCC2	REAL300028621933	1	51	0.0	-62.15	382.30	2.67	-59.48
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C12CCC[N@@H+]1CC=CC2	REAL300028621945	0	49	0.0	-65.62	377.11	2.87	-62.75
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C12CCC[N@H+]1CC=CC2	REAL300028621945	1	49	0.0	-61.69	377.55	2.44	-59.25
CC(OCC[NH+](C)C)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028621961	0	50	0.0	-65.71	405.40	1.86	-63.85
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCOCC[NH+](C)C	REAL300028621975	0	50	0.0	-69.57	406.56	0.92	-68.65
COCC[N@H+](C)CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028621977	1	47	0.0	-66.61	379.86	-0.06	-66.67
COCC[N@@H+](C)CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028621977	1	47	0.0	-68.19	380.08	-0.03	-68.22
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C[NH+](C2CCOC2)C1	REAL300028621980	0	49	0.0	-71.19	396.37	0.51	-70.68
CC(CCC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028621986	0	49	0.0	-71.63	383.39	1.85	-69.78
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=C1CC[NH+](C)CC1	REAL300028622017	0	48	0.0	-68.99	383.28	2.40	-66.59
CC[N@H+](CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028622032	0	47	0.0	-63.47	378.93	2.18	-61.29
CC[N@@H+](CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028622032	1	47	0.0	-64.19	376.10	2.10	-62.09
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1([NH+](C)C)CCCSC1	REAL300028622037	0	51	0.0	-71.04	391.79	2.54	-68.50
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C[N@@H+]2CCN1C(C)C2	REAL300028622052	0	50	0.0	-67.05	370.75	-0.85	-67.90
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C[N@H+]2CCN1C(C)C2	REAL300028622052	1	50	0.0	-70.05	382.59	-0.85	-70.90
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C12CC(C1)C[N@@H+]2C	REAL300028622093	0	45	0.0	-69.10	360.56	1.22	-67.88
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C12CC(C1)C[N@H+]2C	REAL300028622093	1	45	0.0	-66.98	361.78	1.31	-65.67
CC1=[NH+]C(N)=CC=C1C=CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028622107	1	47	0.0	-67.58	394.72	0.78	-66.80
CC1=C(C(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)C=NN1CC[NH+](C)C	REAL300028622114	0	53	0.0	-77.07	429.88	2.12	-74.95
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@@H+]1CC2CCC1C2	REAL300028622117	0	48	0.0	-64.02	373.63	2.03	-61.99
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@H+]1CC2CCC1C2	REAL300028622117	1	48	0.0	-64.92	373.99	2.04	-62.88
CC(C)[NH+]1CCC(CC(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028622138	0	56	0.0	-66.95	423.60	3.45	-63.50
CC(C[NH+](C)C)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028622155	0	46	0.0	-64.63	367.41	1.52	-63.11
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300028622173	0	47	0.0	-74.97	383.45	1.75	-73.22
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300028622173	1	47	0.0	-72.61	393.69	1.86	-70.75
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1([NH+](C)C)CC1	REAL300028622177	0	44	0.0	-67.47	348.16	1.56	-65.91
CC[N@@H+]1CCC1C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028622222	1	44	0.0	-66.31	361.38	1.09	-65.22
CC[N@H+]1CCC1C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028622222	1	44	0.0	-66.08	361.41	1.15	-64.93
CC(C)[N@@H+]1CCCC(C(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028622243	0	53	0.0	-60.06	402.39	3.13	-56.93
CC(C)[N@H+]1CCCC(C(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028622243	1	53	0.0	-61.67	402.38	3.13	-58.54
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCN(C2=[NH+]C=CN2C)C1	REAL300028622245	1	51	0.0	-62.62	411.31	2.62	-60.00
CCC(C)(C)[NH2+]C(C)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028622274	0	52	0.0	-66.13	393.16	0.60	-65.53
C#CC[N@H+]1CCCCC1C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028622338	1	49	0.0	-62.62	397.02	2.93	-59.69
C#CC[N@@H+]1CCCCC1C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028622338	1	49	0.0	-63.64	387.59	2.75	-60.89
CNC1=[NH+]C(C)=CC=C1C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028622342	1	46	0.0	-61.26	379.04	1.20	-60.06
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C[NH+]=CC=C1N	REAL300028622344	0	40	0.0	-67.82	337.86	-1.38	-69.20
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(CC1=CC=CC=C1)[NH+](C)C	REAL300028622350	0	53	0.0	-66.78	421.86	4.69	-62.09
CCCC(C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028622361	0	49	0.0	-65.14	383.85	2.04	-63.10
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)[NH+](C)C	REAL300028622371	0	46	0.0	-67.29	355.45	1.22	-66.07
CC(CC[NH+](C)C)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028622399	0	49	0.0	-69.77	389.78	2.02	-67.75
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300028622472	0	54	0.0	-68.50	400.16	2.89	-65.61
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300028622472	1	54	0.0	-59.82	404.47	3.60	-56.22
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300028622513	0	49	0.0	-64.01	384.34	2.73	-61.28
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300028622513	1	49	0.0	-64.76	381.42	3.08	-61.68
COCCCC[N@H+](C)CCC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028622570	0	56	0.0	-73.21	446.51	1.93	-71.28
COCCCC[N@@H+](C)CCC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028622570	1	56	0.0	-73.10	446.51	1.94	-71.16
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C12CCC([NH+](C)C)(CC1)CC2	REAL300028622576	0	57	0.0	-72.93	419.39	3.33	-69.60
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(C)(C)C[N@@H+]1C	REAL300028622585	0	50	0.0	-67.28	390.14	1.74	-65.54
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(C)(C)C[N@H+]1C	REAL300028622585	1	50	0.0	-64.74	395.71	2.25	-62.49
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCCC[NH+](C)C	REAL300028622591	0	52	0.0	-70.87	416.60	3.04	-67.83
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC[NH+]1CCC(O)CC1	REAL300028622597	0	51	0.0	-71.54	404.37	-0.82	-72.36
CCC[N@@H+]1CCCCC1C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028622603	0	53	0.0	-63.43	401.59	2.93	-60.50
CCC[N@H+]1CCCCC1C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028622603	1	53	0.0	-64.70	401.58	2.93	-61.77
CC[NH+]1CCN(CCC(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028622613	0	55	0.0	-69.19	427.85	0.75	-68.44
CCN1CC[NH+](CCC(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028622613	1	55	0.0	-69.62	428.35	0.78	-68.84
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1CC[NH+](C)CC1	REAL300028622616	1	49	0.0	-70.06	389.15	-0.36	-70.42
CC(C)C[NH+]1CCC(C(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028622769	0	56	0.0	-69.95	430.77	3.88	-66.07
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C[N@H+](C)CC(C)O1	REAL300028622773	1	48	0.0	-75.17	388.34	1.31	-73.86
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C[N@@H+](C)CC(C)O1	REAL300028622773	1	48	0.0	-77.99	381.59	1.28	-76.71
CCC1CCC[N@H+](CC(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028622817	0	53	0.0	-66.70	403.27	2.80	-63.90
CCC1CCC[N@@H+](CC(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028622817	1	53	0.0	-66.91	410.72	3.25	-63.66
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C(C[NH+](C)C)N1	REAL300028622829	0	48	0.0	-75.46	396.58	1.30	-74.16
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+]1CC2CC2C1	REAL300028622855	0	45	0.0	-66.77	365.07	2.01	-64.76
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1([NH+]2CCCC2)CC1	REAL300028622880	0	51	0.0	-64.33	394.84	2.86	-61.47
CC([NH2+]C1(CO)CCCC1)C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028622905	0	54	0.0	-68.52	399.15	-2.10	-70.62
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CC(CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300028624135	0	49	0.0	-72.87	386.86	2.12	-70.75
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C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@@H+]1CCCC1CO	REAL300028624704	0	48	0.0	-65.93	383.87	-1.40	-67.33
CC[NH+](CC)CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028624707	0	46	0.0	-65.57	361.33	1.21	-64.36
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@H+](C)C1CCSC1	REAL300028624724	0	48	0.0	-71.15	389.23	2.36	-68.79
CC[NH+](CC)CCC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028624792	0	49	0.0	-68.04	383.34	1.76	-66.28
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(C[NH+](C)C)=CN1	REAL300028624878	0	48	0.0	-72.22	396.13	1.46	-70.76
CC(C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300028624904	0	51	0.0	-67.15	395.36	-1.11	-68.26
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC2COCC[N@@H+]2C1	REAL300028624913	0	49	0.0	-67.49	388.23	0.48	-67.01
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC2COCC[N@H+]2C1	REAL300028624913	1	49	0.0	-66.21	388.14	0.47	-65.74
CC(C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300028624935	1	44	0.0	-64.48	359.74	1.06	-63.42
CCC(CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300028624949	0	52	0.0	-63.31	404.98	2.75	-60.56
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC1=CC=C(N)[NH+]=C1	REAL300028624958	0	44	0.0	-70.62	377.11	0.33	-70.29
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)C[NH+](C)C	REAL300028624959	0	49	0.0	-62.06	377.28	1.82	-60.24
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(C1=CC=CC=C1)[NH+](C)C	REAL300028625006	0	53	0.0	-71.23	419.66	4.12	-67.11
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCCC[N@@H+]1C	REAL300028625046	0	47	0.0	-62.70	371.70	1.73	-60.97
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCCC[N@H+]1C	REAL300028625046	1	47	0.0	-64.29	362.38	1.55	-62.74
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C[N@@H+]2CCN1CC2C	REAL300028625062	0	50	0.0	-66.76	382.60	-0.88	-67.64
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C[N@H+]2CCN1CC2C	REAL300028625062	1	50	0.0	-73.05	382.51	-0.89	-73.94
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(O)C[NH+](C)C	REAL300028625097	0	47	0.0	-72.55	382.34	-0.85	-73.40
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC2CCC(C1)[NH+]2C	REAL300028625100	0	51	0.0	-66.82	367.89	2.39	-64.43
C#CC1(O)CC[NH+](C(C)C(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028625140	0	53	0.0	-66.71	423.47	-0.01	-66.72
C=CCC(C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028625155	0	47	0.0	-64.78	376.37	1.80	-62.98
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300028625171	0	51	0.0	-65.84	397.41	2.79	-63.05
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC2CCCC[N@H+]2C1	REAL300028625171	1	51	0.0	-64.25	396.94	2.84	-61.41
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC[NH+](C)CC1	REAL300028625189	0	50	0.0	-63.17	386.99	2.20	-60.97
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1(O)CC[NH+](C)CC1	REAL300028625195	0	51	0.0	-68.94	400.28	0.44	-68.50
COCC[N@@H+]1CCCC1CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028625211	0	54	0.0	-68.10	419.03	1.44	-66.66
COCC[N@H+]1CCCC1CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028625211	1	54	0.0	-62.37	423.28	1.68	-60.69
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC2CCC(C1)[NH+]2C	REAL300028625227	0	54	0.0	-66.29	395.43	2.57	-63.72
C[C@@H](CCNC(=O)C1=CC=NN1CC[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL300028625272	0	50	0.0	-67.28	409.45	1.59	-65.69
C[C@@H](CCNC(=O)C1=CC2=C(C[N@H+](C)CC2)S1)NC(=O)C1=CC(=O)[N-]O1	REAL300028625312	1	48	0.0	-84.41	403.83	3.20	-81.21
C[C@@H](CCNC(=O)C1=CC2=C(C[N@@H+](C)CC2)S1)NC(=O)C1=CC(=O)[N-]O1	REAL300028625312	1	48	0.0	-84.58	403.83	3.19	-81.39
C[C@@H](CCNC(=O)C1(C2CC[NH+](C)CC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028625324	0	54	0.0	-65.48	418.02	3.79	-61.69
CC1=C2C=C(C(=O)NCC[C@H](C)NC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300028625337	1	45	0.0	-79.00	382.09	4.21	-74.79
C[C@@H](CCNC(=O)CSCC[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL300028625352	0	47	0.0	-80.44	396.63	2.07	-78.37
C[C@@H](CCNC(=O)C1CC2COCC[N@@H+]2C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028625364	0	49	0.0	-71.50	388.15	0.51	-70.99
C[C@@H](CCNC(=O)C1CC2COCC[N@H+]2C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028625364	1	49	0.0	-75.10	388.47	0.46	-74.64
CN(C(=O)C1CCC[N@@H+]1C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028625529	0	51	0.0	-72.95	373.03	4.95	-68.00
CN(C(=O)C1CCC[N@H+]1C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028625529	1	51	0.0	-63.66	372.23	5.06	-58.60
CN(C(=O)C1C[N@H+](C)CCO1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028625553	1	52	0.0	-87.22	382.43	4.40	-82.82
CN(C(=O)C1C[N@@H+](C)CCO1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028625553	1	52	0.0	-72.73	384.50	4.52	-68.21
CC(C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCCCC1	REAL300028625714	0	60	0.0	-71.71	418.81	6.95	-64.76
CC(C)[N@@H+]1CCCCC1C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028625716	0	60	0.0	-60.90	414.24	6.45	-54.45
CC(C)[N@H+]1CCCCC1C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028625716	1	60	0.0	-61.14	419.69	6.60	-54.54
CC(C)[N@@H+]1CCCC1C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028625737	0	57	0.0	-63.14	398.43	6.30	-56.84
CC(C)[N@H+]1CCCC1C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028625737	1	57	0.0	-60.96	399.34	6.47	-54.49
CN(C(=O)C1CC2CCCC[N@@H+]2C1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028625753	0	58	0.0	-75.19	416.23	6.86	-68.33
CN(C(=O)C1CC2CCCC[N@H+]2C1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028625753	1	58	0.0	-79.19	419.14	6.87	-72.32
CC(C)C1=[NH+]C=CN1CC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028625774	1	55	0.0	-70.12	416.77	6.97	-63.15
CC1=[NH+]C=CN1CC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028625804	1	49	0.0	-71.45	380.53	5.83	-65.62
CC(C[NH+]1CCOCC1)C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028625805	0	58	0.0	-56.99	419.88	4.71	-52.28
CN(C(=O)CCC[NH+]1CCCCC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028625821	0	60	0.0	-77.65	436.16	7.46	-70.19
CN(C(=O)C(C)(C)[NH+]1CCCCC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028625839	0	60	0.0	-76.88	413.52	6.77	-70.11
CN(C(=O)C1C[NH+]2CCC1CC2)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028625847	0	55	0.0	-72.79	387.31	5.74	-67.05
CN(C(=O)C1CCCC2CCC[N@@H+]21)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028625888	0	58	0.0	-67.85	410.62	6.80	-61.05
CN(C(=O)C1CCCC2CCC[N@H+]21)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028625888	1	58	0.0	-58.40	414.90	6.87	-51.53
C[C@@H]1[C@H](C(=O)N(C)C2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300028625902	0	54	0.0	-68.15	387.75	5.28	-62.87
C[C@@H]1[C@H](C(=O)N(C)C2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300028625902	1	54	0.0	-77.16	389.51	5.97	-71.19
CC[C@@H]1[C@@H](C(=O)N(C)C2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300028625906	0	57	0.0	-78.03	409.77	5.93	-72.10
CC[C@@H]1[C@@H](C(=O)N(C)C2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300028625906	1	57	0.0	-75.61	407.99	6.23	-69.38
CC[N@@H+]1CCOC(C(=O)N(C)C2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028625916	1	55	0.0	-80.85	391.30	4.80	-76.05
CC[N@H+]1CCOC(C(=O)N(C)C2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028625916	1	55	0.0	-82.03	394.14	4.94	-77.09
CC[NH+](CC)CC(F)C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028625957	0	56	0.0	-75.69	410.64	6.02	-69.67
CC1CCC(C)[NH+]1CC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626020	0	57	0.0	-71.36	408.93	6.30	-65.06
CN(C(=O)CCC[NH+]1CCCC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626026	0	57	0.0	-77.10	419.33	6.69	-70.41
C#CC[NH+]1CCC(C(=O)N(C)C2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028626031	0	56	0.0	-82.16	419.22	6.86	-75.30
CN(C(=O)CC[NH+]1CCCCC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626032	0	57	0.0	-76.80	415.11	6.70	-70.10
CC[N@@H+]1CCCCC1C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626038	0	57	0.0	-62.63	397.59	5.99	-56.64
CC[N@H+]1CCCCC1C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626038	1	57	0.0	-71.53	411.15	6.49	-65.04
CC(C)C[N@@H+]1CCC(C(=O)N(C)C2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028626052	0	60	0.0	-76.71	434.17	7.12	-69.59
CC(C)C[N@H+]1CCC(C(=O)N(C)C2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028626052	1	60	0.0	-79.08	435.39	7.12	-71.96
CN(C(=O)C1([NH+](C)C)CCC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626056	0	54	0.0	-63.72	379.95	5.15	-58.57
CC(C)[N@@H+]1CCCC1CC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626058	0	60	0.0	-62.28	421.01	6.35	-55.93
CC(C)[N@H+]1CCCC1CC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626058	1	60	0.0	-69.09	420.43	6.35	-62.74
CC(C)[C@@H](C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028626071	0	56	0.0	-72.00	396.36	5.78	-66.22
CN(C(=O)C[N@H+](C)C1CCC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626112	0	54	0.0	-72.17	397.23	6.19	-65.98
CN(C(=O)C[N@@H+](C)C1CCC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626112	1	54	0.0	-72.06	397.33	6.20	-65.86
CC(C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1C(C)CCC1C	REAL300028626171	0	60	0.0	-75.03	421.21	6.72	-68.31
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626230	1	53	0.0	-63.63	396.04	5.93	-57.70
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626230	1	53	0.0	-64.40	402.09	6.32	-58.08
CN(C(=O)CCC1CCC[N@@H+]1C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626236	0	57	0.0	-75.46	413.11	6.32	-69.14
CN(C(=O)CCC1CCC[N@H+]1C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626236	1	57	0.0	-68.26	412.96	6.29	-61.97
CN(C(=O)C12CCC[NH+](CCC1)C2)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626245	0	58	0.0	-59.54	395.12	5.72	-53.82
CN(C(=O)C1CCC2CCCC[N@@H+]21)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626248	0	58	0.0	-71.35	411.43	6.72	-64.63
CN(C(=O)C1CCC2CCCC[N@H+]21)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626248	1	58	0.0	-60.93	415.94	7.02	-53.91
CN(C(=O)CCCC[NH+]1CCCC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626264	0	60	0.0	-79.56	440.82	7.47	-72.09
CN(C(=O)C1CC[NH+](C)CC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626275	0	54	0.0	-57.51	391.61	5.58	-51.93
CN(C(=O)C1=NOC(C[NH+](C)C)=C1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626310	1	53	0.0	-84.74	407.54	5.52	-79.22
CC1=C(C(=O)N(C)C2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C=CC2=C[NH+]=CN21	REAL300028626311	0	52	0.0	-80.65	404.97	7.90	-72.75
CN(C(=O)C1CCCC[N@@H+]1C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626342	0	54	0.0	-64.01	384.98	5.55	-58.46
CN(C(=O)C1CCCC[N@H+]1C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626342	1	54	0.0	-76.72	384.11	5.46	-71.26
CC(C)C[N@@H+]1CCCC1C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626364	0	60	0.0	-63.44	427.94	6.83	-56.61
CC(C)C[N@H+]1CCCC1C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626364	1	60	0.0	-74.31	418.93	7.32	-66.99
CN(C(=O)C1=CN2C=[NH+]C=C2C=C1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626464	0	49	0.0	-83.43	386.33	7.63	-75.80
CC1=[NH+]C=CN1CCCC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626472	1	55	0.0	-75.00	422.08	7.18	-67.82
CN(C(=O)CC[NH+]1CCOCC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626477	1	55	0.0	-80.15	406.37	4.28	-75.87
CC1=C[NH+]=CN1CC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626507	1	49	0.0	-73.84	379.81	6.54	-67.30
CN(C(=O)C12CCC[NH+]1CCC2)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626546	0	55	0.0	-62.13	389.09	5.62	-56.51
CN(C(=O)C1CCCC([NH+](C)C)C1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626570	0	60	0.0	-64.68	419.51	6.66	-58.02
CN(C(=O)CC1CC[N@H+](C)C1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626573	0	54	0.0	-79.61	396.96	5.86	-73.75
CN(C(=O)CC1CC[N@@H+](C)C1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626573	1	54	0.0	-70.63	399.16	5.90	-64.73
CN(C)C1=CC=[NH+]C=C1C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626585	0	53	0.0	-87.99	403.53	4.23	-83.76
CCC(C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028626590	0	53	0.0	-74.76	383.79	5.39	-69.37
CN(C(=O)CC1([NH+](C)C)CCCC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626602	0	60	0.0	-81.37	414.94	6.71	-74.66
CN(C(=O)C1=CC2=C[NH+]=CN2C=C1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626643	1	49	0.0	-84.62	386.47	7.64	-76.98
CN(C(=O)CCCC[NH+](C)C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626697	0	56	0.0	-80.63	416.47	6.40	-74.23
CC(C)C(C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028626717	0	56	0.0	-73.33	395.25	5.87	-67.46
CCC[N@H+](C)CCC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626719	0	56	0.0	-78.52	412.71	6.22	-72.30
CCC[N@@H+](C)CCC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626719	1	56	0.0	-78.55	412.70	6.23	-72.32
CCC[N@H+](C)CC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626724	0	53	0.0	-74.38	390.34	5.64	-68.74
CCC[N@@H+](C)CC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626724	1	53	0.0	-74.29	390.34	5.65	-68.64
CN(C(=O)C12CC[N@H+](C1)CCC2)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626747	0	55	0.0	-79.25	383.80	5.11	-74.14
CN(C(=O)C12CC[N@@H+](C1)CCC2)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626747	1	55	0.0	-58.46	382.07	4.95	-53.51
CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626783	0	51	0.0	-63.67	375.25	5.13	-58.54
CN(C(=O)[C@H]1CCC[N@H+]1C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626783	1	51	0.0	-66.45	371.54	4.78	-61.67
CCCCCC[N@H+](C)CC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626840	0	62	0.0	-75.57	454.83	7.99	-67.58
CCCCCC[N@@H+](C)CC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626840	1	62	0.0	-75.59	455.15	7.99	-67.60
CC[NH+](CC)C(C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(C)C	REAL300028626844	0	62	0.0	-70.42	426.80	6.93	-63.49
CC[NH+](CC)CC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626853	0	53	0.0	-72.88	383.58	5.36	-67.52
CCC[N@@H+]1CCCC(C(=O)N(C)C2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028626885	0	60	0.0	-67.91	423.71	7.15	-60.76
CCC[N@H+]1CCCC(C(=O)N(C)C2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028626885	1	60	0.0	-55.81	430.61	6.97	-48.84
CC(C)[N@@H+]1CCOC(C(=O)N(C)C2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028626900	1	58	0.0	-78.15	404.80	5.21	-72.94
CC(C)[N@H+]1CCOC(C(=O)N(C)C2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028626900	1	58	0.0	-79.70	410.91	5.46	-74.24
CC1CC[NH+](CC(=O)N(C)C2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028626929	0	57	0.0	-75.27	413.68	6.72	-68.55
CN(C(=O)COC1CC[NH+](C)CC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626955	0	58	0.0	-86.39	431.06	6.39	-80.00
CN(C(=O)C1(C[NH+](C)C)CC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028626966	0	54	0.0	-69.77	396.48	5.74	-64.03
CC(C)[NH+]1CCC(C(=O)N(C)C2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028627039	0	60	0.0	-79.76	428.86	6.90	-72.86
CN(C(=O)C1CC[NH+](C)CC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627057	0	54	0.0	-57.51	391.61	5.58	-51.93
CC(C)[C@H](C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028627075	0	56	0.0	-75.05	396.11	6.06	-68.99
CCC(C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](CC)CC	REAL300028627106	0	59	0.0	-68.69	413.12	6.22	-62.47
CC[N@H+](C)CCC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627162	0	53	0.0	-77.81	391.20	5.49	-72.32
CC[N@@H+](C)CCC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627162	1	53	0.0	-77.79	391.20	5.49	-72.30
CC1CCC[N@@H+]1CC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627218	0	54	0.0	-63.96	396.11	6.02	-57.94
CC1CCC[N@H+]1CC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627218	1	54	0.0	-71.82	396.47	5.94	-65.88
CC1CC[N@H+](CC(=O)N(C)C2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028627220	0	54	0.0	-74.16	396.88	6.00	-68.16
CC1CC[N@@H+](CC(=O)N(C)C2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028627220	1	54	0.0	-65.58	397.74	5.92	-59.66
CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627224	0	57	0.0	-73.65	416.40	6.48	-67.17
CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627224	1	57	0.0	-74.18	416.96	6.49	-67.69
CN(C(=O)C[N@H+](C)CC(C)(C)C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627225	0	59	0.0	-74.36	422.04	6.81	-67.55
CN(C(=O)C[N@@H+](C)CC(C)(C)C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627225	1	59	0.0	-74.46	422.93	6.83	-67.63
CC[C@@H](C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028627233	0	53	0.0	-70.53	379.14	5.11	-65.42
CN(C(=O)CC1(O)CC[NH+](C)CC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627390	0	58	0.0	-79.27	421.80	4.57	-74.70
CN(C(=O)C[NH+](C)C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627402	0	47	0.0	-74.75	351.11	4.23	-70.52
CN(C(=O)C[NH+]1CCC(CO)CC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627406	0	58	0.0	-75.99	426.45	3.47	-72.52
CN(C(=O)C[NH+]1CCCCCC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627407	0	57	0.0	-73.55	402.18	6.29	-67.26
CN(C(=O)C[N+]1=CN(C)C=C1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627411	0	49	0.0	-63.40	381.48	7.71	-55.69
CN(C(=O)C1CCC[N@H+](C)C1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627418	0	54	0.0	-66.42	384.95	5.77	-60.65
CN(C(=O)C1CCC[N@@H+](C)C1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627418	1	54	0.0	-68.10	390.94	5.60	-62.50
CN(C(=O)C1CCC[N@@H+]1C1CC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627423	0	55	0.0	-70.97	405.49	6.57	-64.40
CN(C(=O)C1CCC[N@H+]1C1CC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627423	1	55	0.0	-73.08	400.49	6.11	-66.97
CC(C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC1	REAL300028627450	1	51	0.0	-72.51	375.71	5.09	-67.42
CCC(CC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300028627455	0	59	0.0	-67.46	427.12	6.91	-60.55
CN(C(=O)C(C)(C)C[NH+](C)C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627462	0	56	0.0	-58.08	386.13	5.23	-52.85
CN(C(=O)C12CC(C1)C[N@@H+]2C1CC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627479	0	56	0.0	-77.85	412.23	6.75	-71.10
CN(C(=O)C12CC(C1)C[N@H+]2C1CC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627479	1	56	0.0	-79.92	400.54	7.24	-72.68
CN(C(=O)C[NH+]1CCC(O)CC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627487	1	55	0.0	-80.29	405.84	2.83	-77.46
CN(C(=O)C[N@H+](C)C1CC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627488	0	51	0.0	-71.85	380.51	5.64	-66.21
CN(C(=O)C[N@@H+](C)C1CC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627488	1	51	0.0	-71.24	380.38	5.64	-65.60
CC(C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)N1CC[NH+](C)CC1	REAL300028627489	1	59	0.0	-75.85	425.27	4.07	-71.78
CN(C(=O)CC1C[NH+](C)C1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627507	0	51	0.0	-76.53	382.55	5.08	-71.45
CN(C(=O)C1CC[N@@H+]1C1CCCC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627511	0	58	0.0	-76.55	424.93	7.22	-69.33
CN(C(=O)C1CC[N@H+]1C1CCCC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627511	1	58	0.0	-63.93	415.10	6.61	-57.32
CN(C(=O)C1CC[N@@H+]1C(C)(C)C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627519	0	57	0.0	-61.83	412.12	5.91	-55.92
CN(C(=O)C1CC[N@H+]1C(C)(C)C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627519	1	57	0.0	-62.48	390.74	5.24	-57.24
C[C@@H](C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028627530	0	50	0.0	-72.72	366.76	4.60	-68.12
CCC1CCC[N@H+](CC(=O)N(C)C2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028627569	0	60	0.0	-66.35	425.41	7.32	-59.03
CCC1CCC[N@@H+](CC(=O)N(C)C2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028627569	1	60	0.0	-75.53	426.49	7.39	-68.14
CN(C(=O)C1=CC=C(C[NH+](C)C)N1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627576	0	55	0.0	-95.35	412.23	5.92	-89.43
CN(C(=O)CN1C=CSC1=[NH2+])C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627617	0	47	0.0	-71.17	378.17	4.41	-66.76
CN(C(=O)CC[N@H+](C)CCO)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627627	0	54	0.0	-77.59	401.56	2.27	-75.32
CN(C(=O)CC[N@@H+](C)CCO)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627627	1	54	0.0	-76.78	401.60	2.25	-74.53
C[C@@H](C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028627628	0	50	0.0	-72.72	366.76	4.60	-68.12
CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627632	0	54	0.0	-71.24	390.89	5.80	-65.44
CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627632	1	54	0.0	-66.77	383.88	5.52	-61.25
CC1CN2CC[N@@H+]1CC2C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627640	0	57	0.0	-81.47	401.84	2.89	-78.58
CC1CN2CC[N@H+]1CC2C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627640	1	57	0.0	-66.02	399.23	2.81	-63.21
CN(C(=O)CC1=CC2=C[NH+]=CN2C=C1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627682	0	52	0.0	-73.92	405.51	8.45	-65.47
CN(C(=O)C[N@H+](C)C1CCSC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627705	0	55	0.0	-78.93	410.39	6.48	-72.45
CN(C(=O)C[N@@H+](C)C1CCSC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627705	1	55	0.0	-79.61	410.60	6.45	-73.16
CN(C(=O)C[NH+]1CCC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627706	1	48	0.0	-75.16	361.21	4.65	-70.51
CN(C(=O)C=C1CC[N@H+](C)C1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627736	0	52	0.0	-80.70	389.54	5.81	-74.89
CN(C(=O)C=C1CC[N@@H+](C)C1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627736	1	52	0.0	-80.35	389.15	5.79	-74.56
CN(C(=O)COCC[NH+](C)C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627769	0	54	0.0	-76.72	407.03	5.33	-71.39
CCCCC[N@H+](C)CCC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627775	0	62	0.0	-79.36	455.70	7.78	-71.58
CCCCC[N@@H+](C)CCC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627775	1	62	0.0	-79.43	455.70	7.79	-71.64
CN(C(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627784	0	58	0.0	-78.54	428.52	6.13	-72.41
C=CCC(C)(C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028627791	0	57	0.0	-67.05	398.03	5.78	-61.27
CN(C(=O)C(O)CC[S+](C)C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627796	0	53	0.0	-83.24	413.84	3.79	-79.45
CN(C(=O)C1(C)CC(O)C[N@@H+]1C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627821	0	55	0.0	-64.15	388.16	1.26	-62.89
CN(C(=O)C1CN(C)CC[N@H+](C)C1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627831	0	59	0.0	-66.54	421.09	4.12	-62.42
CN(C(=O)C1CN(C)CC[N@@H+](C)C1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627831	1	59	0.0	-66.54	421.09	4.12	-62.42
CC(C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[N@@H+]1CCCC(O)C1	REAL300028627832	0	58	0.0	-73.17	416.88	3.31	-69.86
CN(C(=O)CC1(O)CCC[N@H+](C)C1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627850	0	58	0.0	-76.41	410.28	4.60	-71.81
CN(C(=O)CC1(O)CCC[N@@H+](C)C1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627850	1	58	0.0	-66.10	412.05	4.41	-61.69
CC1C[NH+](CC(=O)N(C)C2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028627853	1	51	0.0	-74.73	382.07	5.31	-69.42
CN(C(=O)C[N@H+](C)CCO)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627879	1	51	0.0	-75.39	379.51	1.68	-73.71
CN(C(=O)C[N@@H+](C)CCO)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627879	1	51	0.0	-75.61	379.00	1.65	-73.96
CN(C(=O)C1C[N@@H+]2CCN1CCC2)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627901	0	57	0.0	-83.96	397.84	3.48	-80.48
CN(C(=O)C1C[N@H+]2CCN1CCC2)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627901	1	57	0.0	-83.96	397.82	3.89	-80.07
CC[N@@H+]1CCCC(C(=O)N(C)C2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028627907	0	57	0.0	-67.46	402.23	6.42	-61.04
CC[N@H+]1CCCC(C(=O)N(C)C2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028627907	1	57	0.0	-75.49	407.26	6.15	-69.34
CC(CC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300028627909	0	56	0.0	-78.67	409.94	6.33	-72.34
CC[N@H+](C)CC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627920	0	50	0.0	-74.21	368.84	4.89	-69.32
CC[N@@H+](C)CC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627920	1	50	0.0	-74.27	369.16	4.91	-69.36
CN(C(=O)C12CCC[N@@H+]1CCCC2)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627944	0	58	0.0	-61.85	399.79	6.01	-55.84
CN(C(=O)C12CCC[N@H+]1CCCC2)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627944	1	58	0.0	-70.62	399.28	5.91	-64.71
CN(C(=O)C12CCC[N@@H+]1CC=CC2)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627949	0	56	0.0	-60.77	391.25	5.89	-54.88
CN(C(=O)C12CCC[N@H+]1CC=CC2)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627949	1	56	0.0	-60.27	392.81	5.78	-54.49
CC[N@H+](CC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300028627969	0	54	0.0	-70.88	399.70	6.27	-64.61
CC[N@@H+](CC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300028627969	1	54	0.0	-71.01	402.01	6.32	-64.69
CC[NH+](CC)CCC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627985	0	56	0.0	-77.42	404.82	5.91	-71.51
CN(C(=O)C=C1CC[NH+](C)CC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028627996	0	55	0.0	-76.01	404.77	6.56	-69.45
CN(C(=O)C[NH+]1CC(C)(C)C1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628008	1	54	0.0	-74.93	401.68	5.85	-69.08
CN(C(=O)C[N@@H+]1CCC(C)(O)C1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628033	0	55	0.0	-65.99	407.73	2.66	-63.33
CN(C(=O)C[N@H+]1CCC(C)(O)C1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628033	1	55	0.0	-72.70	407.38	2.65	-70.05
CN(C(=O)C=CC[NH+](C)C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628040	0	51	0.0	-81.98	387.51	5.49	-76.49
CC(OCC[NH+](C)C)C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628061	0	57	0.0	-78.04	421.05	5.76	-72.28
CN(C(=O)CCOCC[NH+](C)C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628069	0	57	0.0	-78.34	427.98	5.06	-73.28
COCC[N@H+](C)CC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628070	1	54	0.0	-75.41	401.27	4.07	-71.34
COCC[N@@H+](C)CC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628070	1	54	0.0	-75.60	401.76	4.08	-71.52
CN(C(=O)C1([NH+](C)C)CCCC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628103	0	57	0.0	-62.29	390.35	5.99	-56.30
CC(CCC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028628106	0	56	0.0	-76.52	409.42	6.06	-70.46
CC[N@@H+]1CCC1C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628113	1	51	0.0	-75.28	381.26	5.12	-70.16
CC[N@H+]1CCC1C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628113	1	51	0.0	-64.63	374.97	4.88	-59.75
CC(C)[N@@H+]1CCCC(C(=O)N(C)C2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028628123	0	60	0.0	-68.68	417.26	6.89	-61.79
CC(C)[N@H+]1CCCC(C(=O)N(C)C2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028628123	1	60	0.0	-60.23	418.59	6.93	-53.30
CN(C(=O)C[N@@H+]1CCCC1CO)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628136	0	55	0.0	-64.56	404.67	2.88	-61.68
CN(C(=O)C[N@H+]1CCCC1CO)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628136	1	55	0.0	-71.07	398.34	2.84	-68.23
CN(C(=O)C1CC2CCCC[N@@H+]2C1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628158	0	58	0.0	-75.19	416.23	6.86	-68.33
CN(C(=O)C1CC2CCCC[N@H+]2C1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628158	1	58	0.0	-79.19	419.14	6.87	-72.32
CN(C(=O)C1(C)CC[NH+](C)CC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628164	0	57	0.0	-77.90	395.23	5.52	-72.38
CN(C(=O)C1=CC(C[NH+](C)C)=CN1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628170	0	55	0.0	-84.40	413.06	5.86	-78.54
CC(C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC(O)CC1	REAL300028628184	0	58	0.0	-76.76	413.35	2.89	-73.87
C=CCC(C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028628192	0	54	0.0	-75.15	395.52	5.81	-69.34
CN(C(=O)C1CC(C)(C)C[N@@H+]1C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628202	0	57	0.0	-72.21	412.68	6.24	-65.97
CN(C(=O)C1CC(C)(C)C[N@H+]1C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628202	1	57	0.0	-53.77	415.94	6.25	-47.52
CN(C(=O)CCCCC[NH+](C)C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628206	0	59	0.0	-80.08	437.97	7.18	-72.90
CN(C(=O)C[NH+]1CC2CC2C1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628214	0	52	0.0	-75.02	386.76	6.11	-68.91
CC1C[N@@H+]2CCN1C(C(=O)N(C)C1CCCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300028628240	0	57	0.0	-74.78	390.74	5.14	-69.64
CC1C[N@H+]2CCN1C(C(=O)N(C)C1CCCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300028628240	1	57	0.0	-68.04	399.25	2.85	-65.19
CCCC(C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028628241	0	56	0.0	-74.69	404.01	6.09	-68.60
CN(C(=O)C(C)(C)[NH+](C)C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628245	0	53	0.0	-78.70	372.73	4.67	-74.03
CN(C(=O)C1CCCC[N@@H+]1C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628283	0	54	0.0	-64.01	384.98	5.55	-58.46
CN(C(=O)C1CCCC[N@H+]1C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628283	1	54	0.0	-76.72	384.11	5.46	-71.26
CN(C(=O)CC1=CC[N@H+](C)CC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628316	0	55	0.0	-73.55	410.25	6.59	-66.96
CN(C(=O)CC1=CC[N@@H+](C)CC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628316	1	55	0.0	-70.70	410.24	6.57	-64.13
CN(C(=O)CC1([NH+]2CCCC2)CC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628325	0	58	0.0	-73.22	416.20	7.01	-66.21
CN(C(=O)C1=CC=C(C[NH+](C)C)O1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628369	1	54	0.0	-91.00	413.70	6.18	-84.82
CN(C(=O)C=CC[NH+]1CCCC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628385	0	55	0.0	-80.65	410.85	6.52	-74.13
CN(C(=O)C1CC[NH+](C2CC2)CC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628406	0	58	0.0	-54.86	420.87	7.00	-47.86
CN(C(=O)C1([NH+](C)C)CC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628425	0	51	0.0	-63.20	372.97	5.19	-58.01
CN(C(=O)CC[NH+]1CCCC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628427	0	54	0.0	-78.03	397.85	5.90	-72.13
CN(C(=O)C1C[NH+]2CCN1CC2)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628461	0	54	0.0	-73.98	382.74	2.30	-71.68
CN(C(=O)C12CC(C1)C[N@@H+]2C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628471	0	52	0.0	-62.92	378.17	5.18	-57.74
CN(C(=O)C12CC(C1)C[N@H+]2C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628471	1	52	0.0	-79.06	379.96	5.33	-73.73
CN(C(=O)C[N@@H+]1CC2CCC1C2)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628483	0	55	0.0	-71.75	396.37	6.18	-65.57
CN(C(=O)C[N@H+]1CC2CCC1C2)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628483	1	55	0.0	-72.65	397.99	6.35	-66.30
CN(C(=O)C=C1C[NH+]2CCC1CC2)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628524	0	56	0.0	-68.72	406.73	6.65	-62.07
CN(C(=O)C[N@@H+]1CC2C=CC1C2)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628534	1	53	0.0	-70.58	389.97	6.11	-64.47
CN(C(=O)C[N@H+]1CC2C=CC1C2)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628534	1	53	0.0	-73.05	390.76	6.23	-66.82
CC[NH+]1CCN(CC(=O)N(C)C2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028628565	0	59	0.0	-73.63	429.27	4.46	-69.17
CC(C[NH+](C)C)C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628582	0	53	0.0	-55.57	391.73	5.47	-50.10
CN(C(=O)CC1CCCC[N@@H+]1C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628652	0	57	0.0	-69.51	410.31	6.48	-63.03
CN(C(=O)CC1CCCC[N@H+]1C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628652	1	57	0.0	-80.43	410.12	6.47	-73.96
CC1=C2C=C(C(=O)N(C)C3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300028628668	1	52	0.0	-81.94	408.38	8.20	-73.74
CC(C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CC(C)C1	REAL300028628669	0	54	0.0	-72.40	393.72	5.64	-66.76
CC1CC[N@@H+]1CC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628672	1	51	0.0	-73.92	382.44	5.30	-68.62
CC1CC[N@H+]1CC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628672	1	51	0.0	-72.52	376.88	5.04	-67.48
CN(C(=O)CC(O)C[NH+](C)C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628676	0	54	0.0	-82.68	403.72	3.29	-79.39
CC1C[N@H+](C)CC(C(=O)N(C)C2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028628703	1	55	0.0	-83.73	397.54	5.03	-78.70
CC1C[N@@H+](C)CC(C(=O)N(C)C2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028628703	1	55	0.0	-63.17	397.29	5.03	-58.14
CN(C(=O)CC[NH+]1CCC(O)CC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628712	0	58	0.0	-80.22	426.21	3.35	-76.87
CCC[N@@H+]1CCCCC1C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628714	0	60	0.0	-71.20	431.88	7.22	-63.98
CCC[N@H+]1CCCCC1C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628714	1	60	0.0	-65.78	423.46	6.91	-58.87
CN(C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628784	0	54	0.0	-77.17	399.63	5.93	-71.24
CC(CC[NH+](C)C)C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628792	0	56	0.0	-77.99	406.24	5.86	-72.13
CN(C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628812	0	58	0.0	-72.03	421.76	3.62	-68.41
CN(C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628812	1	58	0.0	-70.73	423.52	3.51	-67.22
C#CC[N@H+]1CCCCC1C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628818	1	56	0.0	-74.02	411.06	6.78	-67.24
C#CC[N@@H+]1CCCCC1C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628818	1	56	0.0	-62.88	405.16	6.52	-56.36
CN(C(=O)CN1CC[NH+](C)CC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628821	1	56	0.0	-75.57	411.53	3.78	-71.79
CC[NH+]1CCN(CC(=O)N(C)C2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028628830	0	59	0.0	-73.63	429.27	4.46	-69.17
CN(C(=O)CSC(N)=[NH2+])C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628854	0	45	0.0	-79.82	359.03	1.25	-78.57
CC[N@@H+]1CCOCC1CC(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628889	0	58	0.0	-81.39	419.44	4.72	-76.67
CN(C(=O)C1CCC([NH+](C)C)CC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628904	0	60	0.0	-82.11	429.01	6.85	-75.26
CN(C(=O)C1(CC[NH+](C)C)CC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628905	0	57	0.0	-64.14	422.15	6.58	-57.56
CN(C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628907	0	60	0.0	-62.87	419.13	6.65	-56.22
CN(C(=O)CC1CC=CC[N@@H+]1C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628908	0	55	0.0	-69.97	402.06	6.33	-63.64
CN(C(=O)CC1CC=CC[N@H+]1C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628908	1	55	0.0	-69.97	402.06	6.33	-63.64
C[C@@H](OCC[NH+](C)C)C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628929	0	57	0.0	-74.75	422.08	5.81	-68.94
CN(C(=O)C1CC2CCC(C1)[NH+]2C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028628955	0	58	0.0	-79.29	381.64	5.80	-73.49
CC(C(=O)N(C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCSCC1	REAL300028629061	1	55	0.0	-78.21	400.14	5.95	-72.26
CCC1C[NH+](CC(=O)N(C)C2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028629063	0	54	0.0	-75.86	403.76	6.06	-69.80
CN(C(=O)C1([NH+]2CCCC2)CCC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028629065	0	58	0.0	-60.99	404.66	6.56	-54.43
CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028629074	0	51	0.0	-65.96	370.32	4.77	-61.19
CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028629074	1	51	0.0	-53.49	374.70	5.04	-48.45
CN(C(=O)CC[N@H+]1CCC(F)C1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028629081	1	54	0.0	-71.45	404.22	6.04	-65.41
COC1C[N@@H+](C)C(C)(C(=O)N(C)C2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028629089	1	58	0.0	-61.53	414.73	4.12	-57.41
CN(C(=O)CC[NH+]1CCCCCC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028629097	0	60	0.0	-78.95	426.71	7.00	-71.95
CN(C(=O)C[NH+]1CCCCC1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028629099	0	54	0.0	-74.42	392.83	6.10	-68.32
CC1C(C(=O)N(C)C2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300028629109	0	54	0.0	-78.36	389.18	5.46	-72.90
CC1C(C(=O)N(C)C2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300028629109	1	54	0.0	-76.15	389.15	5.30	-70.85
CN(C(=O)CCC1CCCC[N@@H+]1C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028629111	0	60	0.0	-67.72	431.93	7.19	-60.53
CN(C(=O)CCC1CCCC[N@H+]1C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028629111	1	60	0.0	-74.95	432.35	7.19	-67.76
CN(C(=O)C1CC[N@@H+]2CCOCC12)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028629139	0	56	0.0	-64.08	402.03	4.42	-59.66
CN(C(=O)C1CC[N@H+]2CCOCC12)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028629139	1	56	0.0	-65.95	401.68	4.19	-61.76
CC1=[NH+]C=C2C=CC(C(=O)N(C)C3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3)=CN21	REAL300028629144	0	52	0.0	-78.83	407.75	7.39	-71.44
CN(C(=O)CC1COCCN1C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028629158	0	55	0.0	-84.10	401.52	4.12	-79.98
CN(C(=O)CC1COCC[N@@H+]1C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028629158	1	55	0.0	-65.84	393.96	3.92	-61.92
CN(C(=O)CC1COCC[N@H+]1C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028629158	1	55	0.0	-84.10	401.52	4.12	-79.98
CC1=C(C)[NH+]=C(CCC(=O)N(C)C2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300028629166	1	55	0.0	-71.88	421.34	5.56	-66.32
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2CCC[N@@H+]2C)CC1	REAL300028629336	0	51	0.0	-71.03	375.17	5.14	-65.89
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2CCC[N@H+]2C)CC1	REAL300028629336	1	51	0.0	-72.78	371.18	4.83	-67.95
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2CN(C)CCO2)CC1	REAL300028629362	0	52	0.0	-83.36	384.16	4.49	-78.87
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2C[N@H+](C)CCO2)CC1	REAL300028629362	1	52	0.0	-79.54	376.78	4.38	-75.16
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2C[N@@H+](C)CCO2)CC1	REAL300028629362	1	52	0.0	-83.36	384.16	4.49	-78.87
CC1=[NH+]C=CN1CCCC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028629522	1	55	0.0	-70.99	422.41	7.23	-63.76
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CC[NH+]2CCOCC2)CC1	REAL300028629527	1	55	0.0	-77.70	406.71	4.34	-73.36
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1	REAL300028629552	0	55	0.0	-60.81	387.54	5.53	-55.28
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC1	REAL300028629561	1	49	0.0	-73.19	388.54	7.73	-65.46
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2CCCC([NH+](C)C)C2)CC1	REAL300028629615	0	60	0.0	-65.87	429.13	6.91	-58.96
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CC2CC[N@H+](C)C2)CC1	REAL300028629618	0	54	0.0	-75.43	397.90	5.91	-69.52
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CC2CC[N@@H+](C)C2)CC1	REAL300028629618	1	54	0.0	-76.24	399.11	5.94	-70.30
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028629630	0	53	0.0	-75.39	406.43	4.16	-71.23
CCC(C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028629635	0	53	0.0	-68.50	381.00	5.33	-63.17
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CCCC[NH+](C)C)CC1	REAL300028629697	0	56	0.0	-77.23	416.80	6.46	-70.77
CC(C)C(C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028629719	0	56	0.0	-75.88	391.59	5.44	-70.44
CCC[N@H+](C)CCC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028629721	0	56	0.0	-75.59	413.03	6.30	-69.29
CCC[N@@H+](C)CCC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028629721	1	56	0.0	-75.46	413.03	6.28	-69.18
CCC[N@H+](C)CC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028629726	0	53	0.0	-71.58	390.67	5.69	-65.89
CCC[N@@H+](C)CC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028629726	1	53	0.0	-71.62	391.52	5.71	-65.91
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C23CC[N@H+](C2)CCC3)CC1	REAL300028629749	0	55	0.0	-80.27	385.68	5.16	-75.11
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1	REAL300028629749	1	55	0.0	-68.58	385.96	5.17	-63.41
CCCCCC[N@H+](C)CC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028629781	0	62	0.0	-72.78	455.16	8.03	-64.75
CCCCCC[N@@H+](C)CC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028629781	1	62	0.0	-72.93	456.02	8.06	-64.87
CC[NH+](CC)C(C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)C(C)C	REAL300028629785	0	62	0.0	-59.98	417.02	6.14	-53.84
CC1CC[NH+](CC(=O)N2CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028629817	0	57	0.0	-72.00	414.02	6.76	-65.24
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)COC2CC[NH+](C)CC2)CC1	REAL300028629843	0	58	0.0	-81.49	431.36	6.43	-75.06
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC1	REAL300028629885	0	58	0.0	-72.39	415.15	6.81	-65.58
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2CC3CCCC[N@H+]3C2)CC1	REAL300028629885	1	58	0.0	-70.08	418.66	7.00	-63.08
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1	REAL300028629896	0	54	0.0	-78.54	392.89	5.59	-72.95
CC(C)[NH+]1CCC(C(=O)N2CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028629907	0	60	0.0	-76.12	425.51	6.84	-69.28
CC[N@H+](C)CCC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028629928	0	53	0.0	-74.84	391.53	5.56	-69.28
CC[N@@H+](C)CCC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028629928	1	53	0.0	-74.72	391.53	5.54	-69.18
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1	REAL300028629954	0	60	0.0	-70.65	402.02	6.44	-64.21
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2C[NH+]3CCC2CC3)CC1	REAL300028629962	0	55	0.0	-80.70	389.66	5.78	-74.92
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2CC[NH+](C)CC2)CC1	REAL300028630037	0	54	0.0	-72.75	394.72	5.77	-66.98
CC(C)[C@H](C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028630055	0	56	0.0	-67.15	395.43	5.74	-61.41
CC[NH+](CC)CC(F)C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028630141	0	56	0.0	-71.37	409.58	5.96	-65.41
CC(C)C[N@@H+]1CCC(C(=O)N2CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028630173	0	60	0.0	-74.68	433.97	7.09	-67.59
CC(C)C[N@H+]1CCC(C(=O)N2CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028630173	1	60	0.0	-75.45	433.41	7.04	-68.41
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2([NH+](C)C)CCC2)CC1	REAL300028630177	0	54	0.0	-68.49	374.34	5.21	-63.28
CCC(C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](CC)CC	REAL300028630208	0	59	0.0	-61.42	414.57	6.53	-54.89
CC1CCC[N@@H+]1CC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028630228	0	54	0.0	-71.18	391.06	5.67	-65.51
CC1CCC[N@H+]1CC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028630228	1	54	0.0	-68.49	390.62	5.69	-62.80
CC(C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCCCC1	REAL300028630283	0	60	0.0	-62.01	419.43	6.72	-55.29
CC(C)[N@@H+]1CCCCC1C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028630285	0	60	0.0	-67.41	420.42	6.66	-60.75
CC(C)[N@H+]1CCCCC1C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028630285	1	60	0.0	-59.62	416.90	6.54	-53.08
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028630306	0	57	0.0	-71.11	403.77	6.66	-64.45
CC(C)[N@H+]1CCCC1C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028630306	1	57	0.0	-69.35	407.59	6.19	-63.16
CC(C)[N@@H+]1CCCC1CC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028630312	0	60	0.0	-62.41	417.41	6.34	-56.07
CC(C)[N@H+]1CCCC1CC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028630312	1	60	0.0	-70.65	421.42	6.53	-64.12
CC(C)[C@@H](C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028630325	0	56	0.0	-75.87	391.59	5.44	-70.43
CC1CC[N@H+](CC(=O)N2CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028630345	0	54	0.0	-70.80	398.11	6.03	-64.77
CC1CC[N@@H+](CC(=O)N2CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028630345	1	54	0.0	-70.25	397.68	5.94	-64.31
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1	REAL300028630349	0	57	0.0	-70.93	417.21	6.53	-64.40
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1	REAL300028630349	1	57	0.0	-74.61	418.79	6.53	-68.08
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1	REAL300028630350	0	59	0.0	-71.73	421.89	6.85	-64.88
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1	REAL300028630350	1	59	0.0	-71.38	419.58	6.70	-64.68
CC[C@@H](C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028630358	0	53	0.0	-61.89	383.88	5.40	-56.49
CC1=[NH+]C=CN1CC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028630548	1	49	0.0	-67.39	380.86	5.89	-61.50
CC(C[NH+]1CCOCC1)C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028630549	0	58	0.0	-69.95	421.91	4.86	-65.09
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CCC[NH+]2CCCCC2)CC1	REAL300028630565	0	60	0.0	-74.53	436.94	7.57	-66.96
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=NOC(C[NH+](C)C)=C2)CC1	REAL300028630580	1	53	0.0	-78.82	406.77	5.72	-73.10
CC1=C(C(=O)N2CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C=CC2=C[NH+]=CN21	REAL300028630581	0	52	0.0	-79.73	402.10	7.78	-71.95
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028630615	1	55	0.0	-67.22	417.19	7.03	-60.19
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2CCCC3CCC[N@@H+]32)CC1	REAL300028630646	0	58	0.0	-58.33	415.65	6.95	-51.38
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2CCCC3CCC[N@H+]32)CC1	REAL300028630646	1	58	0.0	-60.91	407.01	6.50	-54.41
CC[N@@H+]1CCOC(C(=O)N2CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028630663	1	55	0.0	-74.52	393.69	4.95	-69.57
CC[N@H+]1CCOC(C(=O)N2CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028630663	1	55	0.0	-87.71	404.33	5.25	-82.46
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC1	REAL300028630714	0	49	0.0	-80.48	385.10	7.57	-72.91
CC1=C[NH+]=CN1CC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028630719	1	49	0.0	-73.00	381.20	6.62	-66.38
C[C@@H]1[C@H](C(=O)N2CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300028630733	0	54	0.0	-76.61	387.84	5.51	-71.10
C[C@@H]1[C@H](C(=O)N2CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300028630733	1	54	0.0	-79.01	394.56	5.58	-73.43
CC[C@@H]1[C@@H](C(=O)N2CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300028630737	0	57	0.0	-75.91	405.44	5.85	-70.06
CC[C@@H]1[C@@H](C(=O)N2CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300028630737	1	57	0.0	-75.67	411.89	6.15	-69.52
CC1CCC(C)[NH+]1CC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028630748	0	57	0.0	-68.42	408.82	6.30	-62.12
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CCC[NH+]2CCCC2)CC1	REAL300028630754	0	57	0.0	-74.27	421.27	6.86	-67.41
C#CC[NH+]1CCC(C(=O)N2CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028630760	0	56	0.0	-72.10	419.89	6.96	-65.14
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CC[NH+]2CCCCC2)CC1	REAL300028630761	0	57	0.0	-73.98	415.44	6.76	-67.22
CC[N@@H+]1CCCCC1C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028630768	0	57	0.0	-65.66	409.26	6.48	-59.18
CC[N@H+]1CCCCC1C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028630768	1	57	0.0	-64.49	410.47	6.49	-58.00
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CC2([NH+](C)C)CCCC2)CC1	REAL300028630808	0	60	0.0	-76.87	415.27	6.77	-70.10
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C[N@H+](C)C2CCC2)CC1	REAL300028630949	0	54	0.0	-70.17	397.56	6.26	-63.91
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C[N@@H+](C)C2CCC2)CC1	REAL300028630949	1	54	0.0	-68.90	397.65	6.28	-62.62
CC(C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1C(C)CCC1C	REAL300028630971	0	60	0.0	-64.68	416.75	6.62	-58.06
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CCCC[NH+]2CCCC2)CC1	REAL300028630983	0	60	0.0	-75.73	442.77	7.65	-68.08
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2CC[NH+](C)CC2)CC1	REAL300028630994	0	54	0.0	-72.75	394.72	5.77	-66.98
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	REAL300028631035	0	51	0.0	-71.01	375.15	5.13	-65.88
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	REAL300028631035	1	51	0.0	-67.06	370.79	4.80	-62.26
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028631058	1	53	0.0	-71.30	398.42	6.08	-65.22
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028631058	1	53	0.0	-63.47	403.06	6.47	-57.00
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CCC2CCC[N@@H+]2C)CC1	REAL300028631064	0	57	0.0	-73.41	413.53	6.34	-67.07
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CCC2CCC[N@H+]2C)CC1	REAL300028631064	1	57	0.0	-78.18	417.16	6.74	-71.44
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1	REAL300028631073	0	58	0.0	-74.18	399.04	5.91	-68.27
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2CCC3CCCC[N@@H+]32)CC1	REAL300028631076	0	58	0.0	-67.48	413.10	6.79	-60.69
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2CCC3CCCC[N@H+]32)CC1	REAL300028631076	1	58	0.0	-57.87	419.90	7.13	-50.74
CCC[N@@H+]1CCCC(C(=O)N2CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028631145	0	60	0.0	-73.92	432.57	7.06	-66.86
CCC[N@H+]1CCCC(C(=O)N2CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028631145	1	60	0.0	-62.09	426.89	7.31	-54.78
CC(C)[N@@H+]1CCOC(C(=O)N2CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028631160	1	58	0.0	-74.83	413.12	5.51	-69.32
CC(C)[N@H+]1CCOC(C(=O)N2CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028631160	1	58	0.0	-78.53	413.14	5.59	-72.94
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2CCCC[N@@H+]2C)CC1	REAL300028631183	0	54	0.0	-70.37	390.79	5.78	-64.59
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2CCCC[N@H+]2C)CC1	REAL300028631183	1	54	0.0	-66.42	392.31	5.86	-60.56
CC(C)C[N@@H+]1CCCC1C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028631206	0	60	0.0	-60.11	437.24	7.37	-52.74
CC(C)C[N@H+]1CCCC1C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028631206	1	60	0.0	-67.68	425.14	6.64	-61.04
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C[NH+]2CCC(CO)CC2)CC1	REAL300028631221	0	58	0.0	-72.82	424.86	3.44	-69.38
CC1C(C(=O)N2CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300028631264	0	54	0.0	-70.58	388.90	5.49	-65.09
CC1C(C(=O)N2CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300028631264	1	54	0.0	-75.84	391.29	5.84	-70.00
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CCC2CCCC[N@@H+]2C)CC1	REAL300028631266	0	60	0.0	-72.81	434.63	7.28	-65.53
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CCC2CCCC[N@H+]2C)CC1	REAL300028631266	1	60	0.0	-78.08	427.52	7.12	-70.96
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=CC3=C(CCC3)[NH+]=C2N)CC1	REAL300028631297	1	54	0.0	-63.22	409.80	5.07	-58.15
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2CC[N@@H+]2C(C)(C)C)CC1	REAL300028631355	0	57	0.0	-68.78	408.53	5.83	-62.95
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2CC[N@H+]2C(C)(C)C)CC1	REAL300028631355	1	57	0.0	-71.13	412.53	5.89	-65.24
C[C@@H](C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028631373	0	50	0.0	-62.37	368.52	4.69	-57.68
C=CCC(C)(C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028631390	0	57	0.0	-65.53	392.82	5.71	-59.82
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CC[NH+]2CCCC2)CC1	REAL300028631412	0	54	0.0	-74.37	399.77	6.05	-68.32
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C[N@H+](C)CCO)CC1	REAL300028631422	1	51	0.0	-73.44	380.38	1.74	-71.70
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C[N@@H+](C)CCO)CC1	REAL300028631422	1	51	0.0	-71.44	379.17	1.73	-69.71
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2C[N@@H+]3CCN2CCC3)CC1	REAL300028631458	0	57	0.0	-87.12	394.32	3.56	-83.56
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2C[N@H+]3CCN2CCC3)CC1	REAL300028631458	1	57	0.0	-83.63	395.09	3.61	-80.02
CC(C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCSCC1	REAL300028631479	1	55	0.0	-64.88	409.49	6.26	-58.62
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CC2=CC[N@H+](C)CC2)CC1	REAL300028631511	0	55	0.0	-72.08	411.50	6.65	-65.43
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CC2=CC[N@@H+](C)CC2)CC1	REAL300028631511	1	55	0.0	-70.39	411.51	6.65	-63.74
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C(O)CC[S+](C)C)CC1	REAL300028631526	0	53	0.0	-78.29	414.61	3.78	-74.51
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2(C)CC(O)C[N@@H+]2C)CC1	REAL300028631544	0	55	0.0	-82.63	383.47	2.07	-80.56
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2(C)CC(O)C[N@H+]2C)CC1	REAL300028631544	1	55	0.0	-70.13	390.29	1.58	-68.55
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2CN(C)CC[N@H+](C)C2)CC1	REAL300028631554	0	59	0.0	-66.74	419.40	4.24	-62.50
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC1	REAL300028631554	1	59	0.0	-67.05	419.67	3.74	-63.31
CC(C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)[N@@H+]1CCCC(O)C1	REAL300028631555	0	58	0.0	-63.41	422.11	3.20	-60.21
CC(C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)[N@H+]1CCCC(O)C1	REAL300028631555	1	58	0.0	-64.75	422.78	3.15	-61.60
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=C(N)[NH+]=CC3=C2CCC3)CC1	REAL300028631582	0	54	0.0	-66.87	409.30	4.90	-61.97
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CC2(O)CCC[N@H+](C)C2)CC1	REAL300028631588	0	58	0.0	-73.64	410.03	4.56	-69.08
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CC2(O)CCC[N@@H+](C)C2)CC1	REAL300028631588	1	58	0.0	-69.08	412.78	4.41	-64.67
CC1C[NH+](CC(=O)N2CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028631593	1	51	0.0	-73.10	381.55	5.44	-67.66
CC[N@@H+]1CCCC(C(=O)N2CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028631600	0	57	0.0	-67.25	405.05	6.62	-60.63
CC[N@H+]1CCCC(C(=O)N2CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028631600	1	57	0.0	-67.05	404.95	6.62	-60.43
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CC2=CC=C[NH+]=C2N)CC1	REAL300028631606	0	50	0.0	-66.09	385.69	4.14	-61.95
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1	REAL300028631618	0	55	0.0	-68.99	406.32	6.59	-62.40
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2CCC[N@H+]2C2CC2)CC1	REAL300028631618	1	55	0.0	-58.87	406.15	6.52	-52.35
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C=CC[NH+]2CCCC2)CC1	REAL300028631660	0	55	0.0	-78.37	414.96	6.79	-71.58
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1	REAL300028631681	0	58	0.0	-69.90	419.54	6.96	-62.94
CC[N@H+](C)CC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028631724	0	50	0.0	-71.44	369.16	4.95	-66.49
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CN2CC3C=CC2C3)CC1	REAL300028631775	0	53	0.0	-73.13	392.97	6.30	-66.83
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C[N@@H+]2CC3C=CC2C3)CC1	REAL300028631775	1	53	0.0	-73.51	392.95	6.31	-67.20
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C[N@H+]2CC3C=CC2C3)CC1	REAL300028631775	1	53	0.0	-73.51	392.95	6.31	-67.20
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2C[NH+]3CCN2CC3)CC1	REAL300028631854	0	54	0.0	-70.29	388.28	2.47	-67.82
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C23CCC[N@@H+]2CCCC3)CC1	REAL300028631894	0	58	0.0	-68.42	398.35	6.04	-62.38
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C23CCC[N@H+]2CCCC3)CC1	REAL300028631894	1	58	0.0	-68.29	396.15	5.86	-62.43
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C23CCC[N@@H+]2CC=CC3)CC1	REAL300028631901	0	56	0.0	-67.11	391.46	5.69	-61.42
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C23CCC[N@H+]2CC=CC3)CC1	REAL300028631901	1	56	0.0	-68.72	387.56	5.74	-62.98
CC(OCC[NH+](C)C)C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028631911	0	57	0.0	-68.65	425.13	5.91	-62.74
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CCOCC[NH+](C)C)CC1	REAL300028631920	0	57	0.0	-76.28	428.26	5.12	-71.16
COCC[N@H+](C)CC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028631922	1	54	0.0	-70.79	401.41	4.12	-66.67
COCC[N@@H+](C)CC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028631922	1	54	0.0	-73.71	402.63	4.14	-69.57
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2C[NH+](C3CCOC3)C2)CC1	REAL300028631923	0	56	0.0	-77.04	413.53	4.44	-72.60
CC(CCC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028631927	0	56	0.0	-80.28	404.65	6.05	-74.23
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C=C2CC[NH+](C)CC2)CC1	REAL300028631944	0	55	0.0	-73.43	406.61	6.71	-66.72
CC[N@H+](CC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300028631952	0	54	0.0	-67.72	400.03	6.31	-61.41
CC[N@@H+](CC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300028631952	1	54	0.0	-68.83	397.58	6.24	-62.59
CC1C[N@@H+]2CCN1C(C(=O)N1CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300028631967	0	57	0.0	-79.06	398.34	2.84	-76.22
CC1C[N@H+]2CCN1C(C(=O)N1CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300028631967	1	57	0.0	-79.19	398.44	2.87	-76.32
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C23CC(C2)C[N@@H+]3C)CC1	REAL300028631990	0	52	0.0	-72.91	370.63	5.39	-67.52
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C23CC(C2)C[N@H+]3C)CC1	REAL300028631990	1	52	0.0	-72.85	369.89	5.46	-67.39
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028631999	1	54	0.0	-74.96	417.63	5.03	-69.93
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C[N@@H+]2CC3CCC2C3)CC1	REAL300028632005	0	55	0.0	-72.65	400.47	6.42	-66.23
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C[N@H+]2CC3CCC2C3)CC1	REAL300028632005	1	55	0.0	-69.32	398.31	6.41	-62.91
CC(C[NH+](C)C)C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028632025	0	53	0.0	-67.54	388.65	5.45	-62.09
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2([NH+](C)C)CC2)CC1	REAL300028632041	0	51	0.0	-77.60	372.46	4.69	-72.91
C[C@H](C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028632066	0	50	0.0	-66.21	368.98	4.64	-61.57
CC[N@@H+]1CCC1C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028632073	1	51	0.0	-70.01	376.36	4.95	-65.06
CC[N@H+]1CCC1C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028632073	1	51	0.0	-73.58	384.15	5.28	-68.30
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028632085	0	60	0.0	-61.58	429.80	6.94	-54.64
CC(C)[N@H+]1CCCC(C(=O)N2CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028632085	1	60	0.0	-59.47	422.26	7.13	-52.34
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028632100	0	59	0.0	-64.85	415.63	4.74	-60.11
C#CC[N@H+]1CCCCC1C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028632141	1	56	0.0	-59.18	418.85	7.12	-52.06
C#CC[N@@H+]1CCCCC1C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028632141	1	56	0.0	-59.40	417.82	7.07	-52.33
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028632142	1	53	0.0	-65.88	405.72	4.90	-60.98
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=C[NH+]=CC=C2N)CC1	REAL300028632143	0	47	0.0	-75.16	364.65	2.24	-72.92
CCCC(C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028632152	0	56	0.0	-68.83	402.50	6.09	-62.74
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C(C)(C)[NH+](C)C)CC1	REAL300028632159	0	53	0.0	-73.03	362.89	4.74	-68.29
CC(CC[NH+](C)C)C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028632177	0	56	0.0	-70.88	410.67	6.04	-64.84
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC1	REAL300028632244	0	56	0.0	-72.18	411.98	6.74	-65.44
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CC1	REAL300028632244	1	56	0.0	-71.76	410.17	6.77	-64.99
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2CC(C)(C)C[N@@H+]2C)CC1	REAL300028632278	0	57	0.0	-59.34	417.42	6.40	-52.94
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2CC(C)(C)C[N@H+]2C)CC1	REAL300028632278	1	57	0.0	-60.40	419.43	6.41	-53.99
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CCCCC[NH+](C)C)CC1	REAL300028632283	0	59	0.0	-76.84	438.30	7.25	-69.59
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CC[NH+]2CCC(O)CC2)CC1	REAL300028632287	0	58	0.0	-76.93	426.54	3.42	-73.51
CCC[N@@H+]1CCCCC1C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028632291	0	60	0.0	-69.71	431.34	7.19	-62.52
CCC[N@H+]1CCCCC1C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028632291	1	60	0.0	-71.01	418.06	6.65	-64.36
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CN2CC[NH+](C)CC2)CC1	REAL300028632300	1	56	0.0	-75.05	410.46	3.78	-71.27
CC1C[N@H+](C)CC(C(=O)N2CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028632393	1	55	0.0	-89.16	406.89	5.29	-83.87
CC1C[N@@H+](C)CC(C(=O)N2CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028632393	1	55	0.0	-86.65	399.45	4.85	-81.80
CCC1CCC[N@H+](CC(=O)N2CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028632425	0	60	0.0	-74.92	433.79	7.40	-67.52
CCC1CCC[N@@H+](CC(=O)N2CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028632425	1	60	0.0	-75.48	427.49	7.37	-68.11
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=CC=C(C[NH+](C)C)N2)CC1	REAL300028632433	0	55	0.0	-86.34	412.17	6.00	-80.34
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C[NH+]2CC3CC3C2)CC1	REAL300028632448	0	52	0.0	-71.62	386.77	6.16	-65.46
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CC2([NH+]3CCCC3)CC2)CC1	REAL300028632461	0	58	0.0	-70.09	416.45	7.09	-63.00
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2CCCC[N@@H+]2C)CC1	REAL300028632498	0	54	0.0	-70.37	390.79	5.78	-64.59
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2CCCC[N@H+]2C)CC1	REAL300028632498	1	54	0.0	-66.42	392.31	5.86	-60.56
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C=C2CC[N@H+](C)C2)CC1	REAL300028632613	0	52	0.0	-74.80	390.08	5.91	-68.89
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C=C2CC[N@@H+](C)C2)CC1	REAL300028632613	1	52	0.0	-77.40	390.56	5.94	-71.46
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CNC2=CC=[NH+]C=C2)CC1	REAL300028632618	0	50	0.0	-74.83	387.16	3.55	-71.28
CC[NH+]1CCN(CC(=O)N2CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028632672	0	59	0.0	-73.74	427.69	4.42	-69.32
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C=C2C[NH+]3CCC2CC3)CC1	REAL300028632675	0	56	0.0	-68.17	409.04	6.79	-61.38
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2([NH+](C)C)CCCC2)CC1	REAL300028632710	0	57	0.0	-82.64	386.23	5.88	-76.76
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CC1	REAL300028632721	0	58	0.0	-69.79	422.55	3.70	-66.09
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CC1	REAL300028632721	1	58	0.0	-68.23	422.84	3.50	-64.73
CCC1C[NH+](CC(=O)N2CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028632725	0	54	0.0	-73.02	404.07	6.14	-66.88
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2([NH+]3CCCC3)CCC2)CC1	REAL300028632729	0	58	0.0	-76.66	405.38	6.81	-69.85
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	REAL300028632743	0	51	0.0	-75.10	372.73	4.87	-70.23
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	REAL300028632743	1	51	0.0	-61.66	379.31	5.30	-56.36
CC[N@@H+]1CCOCC1CC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028632771	0	58	0.0	-78.13	419.98	4.82	-73.31
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=CC=C3NC(N)=[NH+]C3=C2)CC1	REAL300028632852	1	51	0.0	-71.92	395.98	5.24	-66.68
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)CC1	REAL300028632886	0	54	0.0	-77.58	399.91	5.97	-71.61
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2CCC([NH+](C)C)CC2)CC1	REAL300028632900	0	60	0.0	-73.44	429.13	6.91	-66.53
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2(CC[NH+](C)C)CC2)CC1	REAL300028632901	0	57	0.0	-66.59	418.35	6.52	-60.07
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)CC1	REAL300028632903	0	60	0.0	-68.57	417.38	6.65	-61.92
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CC2CC=CC[N@@H+]2C)CC1	REAL300028632904	0	55	0.0	-67.74	398.10	6.35	-61.39
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CC2CC=CC[N@H+]2C)CC1	REAL300028632904	1	55	0.0	-77.91	404.76	6.41	-71.50
CC1=CC(C=CC(=O)N2CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)=C[NH+]=C1N	REAL300028632952	1	54	0.0	-78.89	417.83	5.33	-73.56
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)COCC[NH+](C)C)CC1	REAL300028632964	0	54	0.0	-71.83	407.31	5.39	-66.44
CCCCC[N@H+](C)CCC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028632970	0	62	0.0	-76.43	456.02	7.86	-68.57
CCCCC[N@@H+](C)CCC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028632970	1	62	0.0	-76.24	456.02	7.85	-68.39
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)CC1	REAL300028632981	0	58	0.0	-74.18	428.36	6.10	-68.08
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CN2C=CSC2=[NH2+])CC1	REAL300028633005	0	47	0.0	-65.70	378.51	4.47	-61.23
C[C@@H](OCC[NH+](C)C)C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028633074	0	57	0.0	-71.31	425.56	5.92	-65.39
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CC[NH+]2CCCCCC2)CC1	REAL300028633112	0	60	0.0	-77.00	425.44	6.96	-70.04
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2CCC[N@H+](C)C2)CC1	REAL300028633118	0	54	0.0	-70.04	395.62	5.80	-64.24
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2CCC[N@@H+](C)C2)CC1	REAL300028633118	1	54	0.0	-70.04	395.62	5.80	-64.24
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C[NH+]2CCCCCC2)CC1	REAL300028633120	0	57	0.0	-69.83	403.26	6.37	-63.46
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C[N+]2=CN(C)C=C2)CC1	REAL300028633125	0	49	0.0	-68.24	382.67	7.79	-60.45
CN(C)CC1=CC=C(C(=O)N2CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028633141	0	54	0.0	-83.16	412.06	6.18	-76.98
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=CC=C(C[NH+](C)C)O2)CC1	REAL300028633141	1	54	0.0	-83.16	412.06	6.18	-76.98
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CN2CCC(O)CC2)CC1	REAL300028633157	0	55	0.0	-75.86	404.26	2.79	-73.07
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C[NH+]2CCC(O)CC2)CC1	REAL300028633157	1	55	0.0	-75.86	404.26	2.79	-73.07
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C[N@H+](C)C2CC2)CC1	REAL300028633162	0	51	0.0	-68.22	380.72	5.70	-62.52
CC(C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)N1CCN(C)CC1	REAL300028633164	0	59	0.0	-64.34	427.79	4.22	-60.12
CC(C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)N1CC[NH+](C)CC1	REAL300028633164	1	59	0.0	-64.34	427.79	4.22	-60.12
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CC[N@@H+]2CCC(F)C2)CC1	REAL300028633166	0	54	0.0	-79.52	406.39	6.14	-73.38
COC1C[N@H+](C)C(C)(C(=O)N2CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028633176	0	58	0.0	-67.07	406.71	3.49	-63.58
CC(CC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300028633193	0	56	0.0	-76.57	408.62	6.33	-70.24
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2CC[N@@H+]3CCOCC23)CC1	REAL300028633208	0	56	0.0	-71.15	403.92	4.52	-66.63
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2CC[N@H+]3CCOCC23)CC1	REAL300028633208	1	56	0.0	-71.15	403.92	4.52	-66.63
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CC2COCCN2C)CC1	REAL300028633227	0	55	0.0	-71.10	396.71	4.04	-67.06
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CC2COCC[N@@H+]2C)CC1	REAL300028633227	1	55	0.0	-79.40	403.20	4.18	-75.22
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CC2COCC[N@H+]2C)CC1	REAL300028633227	1	55	0.0	-79.40	403.20	4.18	-75.22
CC1=CC(N)=NC=C1C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028633287	0	50	0.0	-76.74	384.59	3.62	-73.12
CC1=CC(N)=[NH+]C=C1C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028633287	1	50	0.0	-76.74	384.59	3.62	-73.12
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C[N@@H+]2CCC(C)(O)C2)CC1	REAL300028633329	0	55	0.0	-73.54	408.83	2.70	-70.84
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CC2C[NH+](C)C2)CC1	REAL300028633363	0	51	0.0	-75.59	382.87	5.14	-70.45
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2CC[N@@H+]2C2CCCC2)CC1	REAL300028633368	0	58	0.0	-72.92	417.93	6.88	-66.04
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2CC[N@H+]2C2CCCC2)CC1	REAL300028633368	1	58	0.0	-72.92	417.93	6.88	-66.04
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CC[N@H+](C)CCO)CC1	REAL300028633404	0	54	0.0	-74.50	401.70	2.33	-72.17
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CC[N@@H+](C)CCO)CC1	REAL300028633404	1	54	0.0	-74.50	401.70	2.33	-72.17
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CC2CCCC[N@@H+]2C)CC1	REAL300028633425	0	57	0.0	-75.34	410.51	6.51	-68.83
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CC2CCCC[N@H+]2C)CC1	REAL300028633425	1	57	0.0	-75.34	410.51	6.51	-68.83
CC1=C2C=C(C(=O)N3CCCC(N(C)C(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=N1	REAL300028633445	0	52	0.0	-70.11	410.45	8.29	-61.82
CC1=C2C=C(C(=O)N3CCCC(N(C)C(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300028633445	1	52	0.0	-70.11	410.45	8.29	-61.82
CC1CCN1CC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028633450	0	51	0.0	-71.55	383.25	5.39	-66.16
CC1CC[N@@H+]1CC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028633450	1	51	0.0	-73.48	383.70	5.36	-68.12
CC1CC[N@H+]1CC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028633450	1	51	0.0	-73.48	383.70	5.36	-68.12
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C=CC[NH+](C)C)CC1	REAL300028633463	0	51	0.0	-79.89	389.89	5.62	-74.27
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CN2CC(C)(C)C2)CC1	REAL300028633476	0	54	0.0	-72.40	402.05	5.90	-66.50
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C[NH+]2CC(C)(C)C2)CC1	REAL300028633476	1	54	0.0	-72.40	402.05	5.90	-66.50
CC1=C(C)NC(CCC(=O)N2CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300028633494	0	55	0.0	-68.51	421.67	5.61	-62.90
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300028633494	1	55	0.0	-68.51	421.67	5.61	-62.90
CC1=C2C=C(C(=O)N3CCCC(N(C)C(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=N1	REAL300028633505	0	52	0.0	-70.11	410.45	8.29	-61.82
CC1=C2C=C(C(=O)N3CCCC(N(C)C(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300028633505	1	52	0.0	-70.11	410.45	8.29	-61.82
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CSCC[NH+](C)C)CC1	REAL300028633514	0	54	0.0	-80.98	418.33	6.28	-74.70
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C[N@@H+]2CCCC2CO)CC1	REAL300028633539	0	55	0.0	-71.05	406.91	2.92	-68.13
CC[NH+](CC)CC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028633543	0	53	0.0	-70.46	382.54	5.35	-65.11
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C[N@H+](C)C2CCSC2)CC1	REAL300028633553	0	55	0.0	-74.81	410.93	6.52	-68.29
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CN2CCC2)CC1	REAL300028633555	0	48	0.0	-71.93	361.54	4.70	-67.23
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C[NH+]2CCC2)CC1	REAL300028633555	1	48	0.0	-71.93	361.54	4.70	-67.23
CC[NH+](CC)CCC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028633601	0	56	0.0	-73.89	404.97	5.96	-67.93
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2CC3COCC[N@@H+]3C2)CC1	REAL300028633686	0	56	0.0	-71.89	409.77	4.61	-67.28
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2CC3COCC[N@H+]3C2)CC1	REAL300028633686	1	56	0.0	-71.89	409.77	4.61	-67.28
CC(C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)N1CCC1	REAL300028633700	0	51	0.0	-65.67	379.51	5.21	-60.46
CC(C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC1	REAL300028633700	1	51	0.0	-65.67	379.51	5.21	-60.46
CCC(CC(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300028633706	0	59	0.0	-82.70	426.27	6.95	-75.75
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C(C)(C)C[NH+](C)C)CC1	REAL300028633714	0	56	0.0	-66.67	390.71	5.40	-61.27
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1	REAL300028633772	0	54	0.0	-68.45	382.61	5.32	-63.13
CC1CN2CC[N@@H+]1CC2C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028633786	0	57	0.0	-82.92	401.89	2.90	-80.02
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CC(O)C[NH+](C)C)CC1	REAL300028633807	0	54	0.0	-78.66	404.14	3.31	-75.35
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2CC3CCC(C2)[NH+]3C)CC1	REAL300028633810	0	58	0.0	-64.46	397.50	6.02	-58.44
C=CCC(C(=O)N1CCCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028633842	0	54	0.0	-68.93	394.97	5.80	-63.13
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC1	REAL300028633850	0	58	0.0	-72.39	415.15	6.81	-65.58
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2CC3CCCC[N@H+]3C2)CC1	REAL300028633850	1	58	0.0	-70.08	418.66	7.00	-63.08
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2(C)CC[NH+](C)CC2)CC1	REAL300028633861	0	57	0.0	-73.70	401.08	5.77	-67.93
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CC2(O)CC[NH+](C)CC2)CC1	REAL300028633863	0	58	0.0	-73.46	421.90	4.58	-68.88
CC1=C2C=C(C(=O)N(C)C3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300028633939	1	52	0.0	-81.94	408.38	8.20	-73.74
CN(C(=O)CSCC[NH+](C)C)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028633948	0	54	0.0	-84.92	418.00	6.23	-78.69
CN(C(=O)C1CC2COCC[N@@H+]2C1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028633956	0	56	0.0	-65.36	405.70	4.45	-60.91
CN(C(=O)C1CC2COCC[N@H+]2C1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028633956	1	56	0.0	-78.93	406.14	4.44	-74.49
C[N@@H+]1CCCC1C(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028634113	0	52	0.0	-48.86	399.95	5.58	-43.28
C[N@H+]1CCCC1C(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028634113	1	52	0.0	-57.00	396.04	6.03	-50.97
CC1=[NH+]C=CN1CC(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028634264	1	50	0.0	-50.43	405.43	6.06	-44.37
C[C@@H]1[C@H](C(=O)NCC2C3=CC=CC=C3CCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028634282	0	55	0.0	-57.18	413.28	5.83	-51.35
C[C@@H]1[C@H](C(=O)NCC2C3=CC=CC=C3CCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028634282	1	55	0.0	-56.54	418.10	5.91	-50.63
C[NH+](C)C1(C(=O)NCC2C3=CC=CC=C3CCN2C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300028634299	0	55	0.0	-58.50	402.67	6.98	-51.52
C[N@H+](CC(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300028634309	0	55	0.0	-54.71	414.87	6.88	-47.83
C[N@@H+](CC(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300028634309	1	55	0.0	-50.10	422.23	6.44	-43.66
C[NH+]1CCC(C(=O)NCC2C3=CC=CC=C3CCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028634330	0	55	0.0	-61.75	413.27	6.51	-55.24
C[N@@H+]1CCCCC1C(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028634336	0	55	0.0	-51.76	418.16	6.02	-45.74
C[N@H+]1CCCCC1C(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028634336	1	55	0.0	-50.72	407.32	5.96	-44.76
CC1=C[NH+]=CN1CC(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028634353	1	50	0.0	-61.18	397.44	7.16	-54.02
C[N@@H+]1CCC(CC(=O)NCC2C3=CC=CC=C3CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028634362	0	55	0.0	-56.74	421.21	6.21	-50.53
C[N@H+]1CCC(CC(=O)NCC2C3=CC=CC=C3CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028634362	1	55	0.0	-56.01	420.73	6.21	-49.80
CCC(C(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028634365	0	54	0.0	-57.05	398.78	5.93	-51.12
CCC[N@H+](C)CC(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028634381	0	54	0.0	-57.06	407.95	6.28	-50.78
CCC[N@@H+](C)CC(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028634381	1	54	0.0	-57.21	407.96	6.28	-50.93
C[N@@H+]1CCC[C@@H]1C(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028634395	0	52	0.0	-48.47	396.07	4.98	-43.49
C[N@H+]1CCC[C@@H]1C(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028634395	1	52	0.0	-54.96	395.21	5.97	-48.99
CC[NH+](CC)CC(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028634407	0	54	0.0	-49.45	411.72	5.78	-43.67
C[NH+](C)CC1(C(=O)NCC2C3=CC=CC=C3CCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028634459	0	55	0.0	-68.35	421.10	6.64	-61.71
C[NH+]1CCC(C(=O)NCC2C3=CC=CC=C3CCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028634480	0	55	0.0	-61.75	413.27	6.51	-55.24
CC[N@H+](C)CCC(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028634517	0	54	0.0	-60.73	408.82	6.06	-54.67
CC[N@@H+](C)CCC(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028634517	1	54	0.0	-60.46	408.82	6.07	-54.39
CC1CCC[N@@H+]1CC(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028634525	0	55	0.0	-54.91	407.55	6.28	-48.63
CC1CCC[N@H+]1CC(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028634525	1	55	0.0	-55.06	413.12	6.62	-48.44
CC1CC[N@H+](CC(=O)NCC2C3=CC=CC=C3CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028634526	0	55	0.0	-56.65	414.80	6.62	-50.03
CC1CC[N@@H+](CC(=O)NCC2C3=CC=CC=C3CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028634526	1	55	0.0	-47.85	419.70	6.39	-41.46
CC[C@@H](C(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028634528	0	54	0.0	-58.14	398.17	5.99	-52.15
C[NH+](C)CC(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028634559	0	48	0.0	-52.55	376.00	4.44	-48.11
CN1C=C[N+](CC(=O)NCC2C3=CC=CC=C3CCN2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300028634560	0	50	0.0	-55.10	400.00	8.39	-46.71
C[N@@H+]1CCCC(C(=O)NCC2C3=CC=CC=C3CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028634563	0	55	0.0	-62.68	414.29	6.56	-56.12
C[N@H+]1CCCC(C(=O)NCC2C3=CC=CC=C3CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028634563	1	55	0.0	-52.76	412.59	6.47	-46.29
CC(C(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300028634570	1	52	0.0	-54.28	398.78	5.93	-48.35
C[N@H+](CC(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028634578	0	52	0.0	-54.41	397.99	6.28	-48.13
C[N@@H+](CC(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028634578	1	52	0.0	-55.40	398.00	6.27	-49.13
C[NH+]1CC(CC(=O)NCC2C3=CC=CC=C3CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028634588	0	52	0.0	-59.82	400.15	5.69	-54.13
C[C@@H](C(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028634599	0	51	0.0	-58.97	387.15	5.36	-53.61
C[C@@H](C(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028634637	0	51	0.0	-58.97	387.15	5.36	-53.61
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028634640	0	55	0.0	-48.94	406.77	6.06	-42.88
C[N@H+]1CCCC[C@@H]1C(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028634640	1	55	0.0	-48.41	418.11	6.01	-42.40
O=C(C[NH+]1CCC1)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028634665	1	49	0.0	-57.32	378.83	5.28	-52.04
C[N@@H+]1CCC(=CC(=O)NCC2C3=CC=CC=C3CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028634672	0	53	0.0	-66.74	406.64	6.45	-60.29
C[N@H+]1CCC(=CC(=O)NCC2C3=CC=CC=C3CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028634672	1	53	0.0	-65.80	407.68	6.45	-59.35
C[C@H](C(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028634689	0	51	0.0	-56.37	388.21	5.30	-51.07
CC1C[NH+](CC(=O)NCC2C3=CC=CC=C3CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028634703	1	52	0.0	-58.26	398.82	6.04	-52.22
C[N@H+](CCO)CC(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028634716	1	52	0.0	-52.60	404.08	1.88	-50.72
C[N@@H+](CCO)CC(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028634716	1	52	0.0	-56.89	396.95	2.34	-54.55
CC[N@H+](C)CC(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028634728	0	51	0.0	-57.03	386.50	5.57	-51.46
CC[N@@H+](C)CC(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028634728	1	51	0.0	-51.17	393.72	5.12	-46.05
CC[N@H+](CC(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028634738	0	55	0.0	-53.97	417.82	6.99	-46.98
CC[N@@H+](CC(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028634738	1	55	0.0	-55.15	414.55	6.85	-48.30
CC1(C)C[NH+](CC(=O)NCC2C3=CC=CC=C3CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028634750	1	55	0.0	-59.11	420.10	6.53	-52.58
C[NH+](C)CC=CC(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028634757	0	52	0.0	-61.67	413.22	5.69	-55.98
CC[N@@H+]1CCC1C(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028634774	1	52	0.0	-54.27	393.46	5.59	-48.68
CC[N@H+]1CCC1C(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028634774	1	52	0.0	-48.60	405.96	5.65	-42.95
C=CCC(C(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028634793	0	55	0.0	-57.43	411.70	6.33	-51.10
O=C(C[NH+]1CC2CC2C1)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028634800	0	53	0.0	-56.92	404.12	6.75	-50.17
C[NH+](C)C(C)(C)C(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028634805	0	54	0.0	-56.59	395.60	6.17	-50.42
C[N@@H+]1CCCCC1C(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028634815	0	55	0.0	-51.76	418.16	6.02	-45.74
C[N@H+]1CCCCC1C(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028634815	1	55	0.0	-50.72	407.32	5.96	-44.76
C[NH+](C)C1(C(=O)NCC2C3=CC=CC=C3CCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028634847	0	52	0.0	-51.91	385.11	6.13	-45.78
O=C(CC[NH+]1CCCC1)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028634848	0	55	0.0	-60.26	417.09	6.60	-53.66
C[N@@H+]1CC2CC1(C(=O)NCC1C3=CC=CC=C3CCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300028634858	0	53	0.0	-38.45	406.33	5.82	-32.63
C[N@H+]1CC2CC1(C(=O)NCC1C3=CC=CC=C3CCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300028634858	1	53	0.0	-62.77	399.95	5.95	-56.82
CC(C[NH+](C)C)C(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028634892	0	54	0.0	-51.58	407.12	6.21	-45.37
CC(C(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300028634911	1	55	0.0	-56.30	417.47	6.52	-49.78
CC1CC[N@@H+]1CC(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028634912	1	52	0.0	-47.85	400.07	5.44	-42.41
CC1CC[N@H+]1CC(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028634912	1	52	0.0	-57.43	400.03	5.95	-51.48
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2C3=CC=CC=C3CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028634940	0	55	0.0	-53.41	423.78	6.34	-47.07
NC(=[NH2+])SCC(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028634957	0	46	0.0	-52.81	383.92	1.40	-51.41
CCC1C[NH+](CC(=O)NCC2C3=CC=CC=C3CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028635006	1	55	0.0	-57.96	421.29	6.74	-51.22
C[N@@H+]1CCC[C@H]1C(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028635010	0	52	0.0	-48.87	399.97	5.57	-43.30
C[N@H+]1CCC[C@H]1C(=O)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028635010	1	52	0.0	-52.50	396.17	4.97	-47.53
O=C(C[NH+]1CCCCC1)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028635016	0	55	0.0	-56.46	410.45	6.73	-49.73
CC1C(C(=O)NCC2C3=CC=CC=C3CCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028635020	0	55	0.0	-54.45	415.54	5.82	-48.63
CC1C(C(=O)NCC2C3=CC=CC=C3CCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028635020	1	55	0.0	-55.77	421.43	6.01	-49.76
C[N@@H+]1CCCC1C(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028635187	0	52	0.0	-66.76	398.44	5.16	-61.60
C[N@H+]1CCCC1C(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028635187	1	52	0.0	-59.44	395.01	5.21	-54.23
C[N@@H+]1CCC(CC(=O)N2CCC3=CC=CC=C3C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028635354	0	55	0.0	-71.22	418.74	6.81	-64.41
C[N@H+]1CCC(CC(=O)N2CCC3=CC=CC=C3C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028635354	1	55	0.0	-65.18	426.45	6.29	-58.89
CCC(C(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028635357	0	54	0.0	-58.86	409.84	5.57	-53.29
CCC[N@H+](C)CC(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028635369	0	54	0.0	-65.84	411.42	6.55	-59.29
CCC[N@@H+](C)CC(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028635369	1	54	0.0	-66.24	411.43	6.57	-59.67
C[NH+](C)CC1(C(=O)N2CCC3=CC=CC=C3C2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028635405	0	55	0.0	-56.09	427.75	6.25	-49.84
CC[N@H+](C)CCC(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028635410	0	54	0.0	-67.61	412.30	6.40	-61.21
CC[N@@H+](C)CCC(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028635410	1	54	0.0	-67.68	412.30	6.41	-61.27
C[NH+]1CCC(C(=O)N2CCC3=CC=CC=C3C2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028635432	0	55	0.0	-75.84	412.35	6.56	-69.28
C[NH+](C)C1(C(=O)N2CCC3=CC=CC=C3C2CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300028635464	0	55	0.0	-61.91	405.23	5.53	-56.38
CC1CCC[N@@H+]1CC(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028635486	0	55	0.0	-64.35	417.15	6.84	-57.51
CC1CCC[N@H+]1CC(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028635486	1	55	0.0	-61.28	425.61	6.42	-54.86
CC1CC[N@H+](CC(=O)N2CCC3=CC=CC=C3C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028635503	0	55	0.0	-63.37	426.36	6.36	-57.01
CC1CC[N@@H+](CC(=O)N2CCC3=CC=CC=C3C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028635503	1	55	0.0	-65.20	418.25	6.88	-58.32
CC[C@@H](C(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028635505	0	54	0.0	-64.94	400.35	6.00	-58.94
CC1=[NH+]C=CN1CC(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028635540	1	50	0.0	-59.06	397.12	6.54	-52.52
CC1=C[NH+]=CN1CC(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028635558	1	50	0.0	-66.95	397.46	7.26	-59.69
C[C@@H]1[C@H](C(=O)N2CCC3=CC=CC=C3C2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028635559	0	55	0.0	-74.10	407.38	6.12	-67.98
C[C@@H]1[C@H](C(=O)N2CCC3=CC=CC=C3C2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028635559	1	55	0.0	-72.81	411.57	6.96	-65.85
C[N@H+](CC(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300028635586	0	55	0.0	-62.60	418.29	7.12	-55.48
C[N@@H+](CC(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300028635586	1	55	0.0	-65.18	418.44	7.14	-58.04
C[NH+]1CCC(C(=O)N2CCC3=CC=CC=C3C2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028635591	0	55	0.0	-75.84	412.35	6.56	-69.28
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028635603	0	52	0.0	-66.77	398.47	5.18	-61.59
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028635603	1	52	0.0	-62.67	401.73	5.39	-57.28
C[N@@H+]1CCCCC1C(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028635643	0	55	0.0	-69.56	412.45	5.86	-63.70
C[N@H+]1CCCCC1C(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028635643	1	55	0.0	-65.76	412.69	6.73	-59.03
CC1C(C(=O)N2CCC3=CC=CC=C3C2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028635671	0	55	0.0	-67.13	402.94	6.73	-60.40
CC1C(C(=O)N2CCC3=CC=CC=C3C2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028635671	1	55	0.0	-70.46	412.44	6.67	-63.79
C[C@@H](C(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028635708	0	51	0.0	-66.49	387.67	5.38	-61.11
O=C(CC[NH+]1CCCC1)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028635725	0	55	0.0	-67.44	427.03	6.28	-61.16
C[N@H+](CCO)CC(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028635730	1	52	0.0	-68.69	400.29	2.59	-66.10
C[N@@H+](CCO)CC(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028635730	1	52	0.0	-65.27	400.10	2.56	-62.71
CC1C[NH+](CC(=O)N2CCC3=CC=CC=C3C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028635768	1	52	0.0	-64.50	411.52	5.72	-58.78
CC[N@H+](C)CC(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028635797	0	51	0.0	-65.68	389.94	5.83	-59.85
CC[N@@H+](C)CC(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028635797	1	51	0.0	-65.78	389.92	5.82	-59.96
CC[N@H+](CC(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028635850	0	55	0.0	-61.16	428.89	6.65	-54.51
CC[N@@H+](CC(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028635850	1	55	0.0	-66.35	417.79	7.05	-59.30
C[N@@H+]1CC2CC1(C(=O)N1CCC3=CC=CC=C3C1CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028635862	0	53	0.0	-70.40	405.02	5.76	-64.64
C[N@H+]1CC2CC1(C(=O)N1CCC3=CC=CC=C3C1CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028635862	1	53	0.0	-62.79	407.23	5.50	-57.29
CC(C[NH+](C)C)C(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028635871	0	54	0.0	-66.40	419.30	5.76	-60.64
C[NH+](C)C1(C(=O)N2CCC3=CC=CC=C3C2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028635877	0	52	0.0	-62.49	398.94	5.00	-57.49
C[C@H](C(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028635886	0	51	0.0	-67.07	389.24	5.53	-61.54
CC[N@@H+]1CCC1C(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028635889	1	52	0.0	-65.91	403.57	6.13	-59.78
CC[N@H+]1CCC1C(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028635889	1	52	0.0	-66.27	402.40	6.09	-60.18
NC1=CC=[NH+]C=C1C(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028635899	0	48	0.0	-67.79	388.69	2.50	-65.29
C[NH+](C)C(C)(C)C(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028635905	0	54	0.0	-60.99	396.23	5.06	-55.93
O=C(C[NH+]1CC2CC2C1)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028635966	0	53	0.0	-68.26	407.68	7.00	-61.26
C[N@@H+]1CCCCC1C(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028635972	0	55	0.0	-69.56	412.45	5.86	-63.70
C[N@H+]1CCCCC1C(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028635972	1	55	0.0	-65.76	412.69	6.73	-59.03
C[N@@H+]1CCC(=CC(=O)N2CCC3=CC=CC=C3C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028635993	0	53	0.0	-63.48	416.80	6.14	-57.34
C[N@H+]1CCC(=CC(=O)N2CCC3=CC=CC=C3C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028635993	1	53	0.0	-69.45	408.97	6.73	-62.72
CCC1C[NH+](CC(=O)N2CCC3=CC=CC=C3C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028636014	0	55	0.0	-65.36	432.71	6.43	-58.93
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028636019	0	52	0.0	-64.50	392.69	5.97	-58.53
C[N@H+]1CCC[C@H]1C(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028636019	1	52	0.0	-59.33	395.10	5.23	-54.10
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3=CC=CC=C3C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028636052	0	55	0.0	-69.77	428.61	6.29	-63.48
O=C(C[NH+]1CCCCC1)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028636090	0	55	0.0	-64.28	422.35	6.48	-57.80
C[N@@H+]1CCCC(C(=O)N2CCC3=CC=CC=C3C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028636091	0	55	0.0	-59.05	411.71	6.15	-52.90
C[N@H+]1CCCC(C(=O)N2CCC3=CC=CC=C3C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028636091	1	55	0.0	-58.48	407.79	6.74	-51.74
CN1C=C[N+](CC(=O)N2CCC3=CC=CC=C3C2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300028636092	0	50	0.0	-58.72	403.44	8.66	-50.06
C[N@H+](CC(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028636102	0	52	0.0	-61.63	409.56	6.03	-55.60
C[N@@H+](CC(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028636102	1	52	0.0	-63.37	401.48	6.54	-56.83
C[NH+]1CC(CC(=O)N2CCC3=CC=CC=C3C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028636151	0	52	0.0	-62.62	411.72	5.51	-57.11
C[NH+](C)CC(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028636157	0	48	0.0	-64.55	380.31	4.60	-59.95
C[C@@H](C(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028636165	0	51	0.0	-66.49	387.67	5.38	-61.11
CC(C(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300028636179	0	55	0.0	-72.02	409.34	6.26	-65.76
CC1CC[N@@H+]1CC(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028636180	1	52	0.0	-62.32	406.03	5.44	-56.88
CC1CC[N@H+]1CC(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028636180	1	52	0.0	-66.43	403.00	6.20	-60.23
C[NH+](C)CC=CC(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028636182	0	52	0.0	-71.96	408.22	6.39	-65.57
CC1(C)C[NH+](CC(=O)N2CCC3=CC=CC=C3C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028636186	1	55	0.0	-66.80	422.88	6.79	-60.01
CC[NH+](CC)CC(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028636198	0	54	0.0	-63.57	416.33	5.95	-57.62
O=C(C[NH+]1CCC1)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028636203	1	49	0.0	-66.78	381.93	5.58	-61.20
CC(C(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300028636242	1	52	0.0	-66.67	398.34	6.01	-60.66
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028636263	0	55	0.0	-66.98	401.74	6.23	-60.75
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028636263	1	55	0.0	-64.12	419.85	6.16	-57.96
C=CCC(C(=O)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028636282	0	55	0.0	-56.95	418.39	5.92	-51.03
C[N@@H+]1CCCC1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028636478	0	53	0.0	-69.40	384.16	3.38	-66.02
C[N@H+]1CCCC1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028636478	1	53	0.0	-68.70	382.09	3.20	-65.50
C[N@@H+]1CCOC(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028636502	1	54	0.0	-79.06	400.38	3.16	-75.90
C[N@H+]1CCOC(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028636502	1	54	0.0	-74.70	391.48	2.94	-71.76
CC1=[NH+]C=CN1CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028636642	1	51	0.0	-71.33	395.28	4.49	-66.84
C[C@@H]1[C@H](C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@@H+]1C	REAL300028636662	0	56	0.0	-79.36	396.95	3.59	-75.77
C[C@@H]1[C@H](C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@H+]1C	REAL300028636662	1	56	0.0	-78.42	402.54	3.93	-74.49
C[NH+](C)C1(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CCC1	REAL300028636683	0	56	0.0	-70.87	387.16	3.57	-67.30
CC(C)[C@@H](C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028636685	0	58	0.0	-72.38	402.76	4.17	-68.21
C[N@H+](CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CCC1	REAL300028636696	0	56	0.0	-73.19	412.09	4.87	-68.32
C[N@@H+](CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CCC1	REAL300028636696	1	56	0.0	-73.47	411.95	4.87	-68.60
C[NH+]1CCC(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300028636723	0	56	0.0	-80.16	406.82	4.17	-75.99
C[N@@H+]1CCCCC1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028636730	0	56	0.0	-68.80	394.61	3.85	-64.95
C[N@H+]1CCCCC1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028636730	1	56	0.0	-67.25	406.69	4.43	-62.82
CC1=C[NH+]=CN1CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028636748	1	51	0.0	-71.43	395.64	5.23	-66.20
C[N@@H+]1CCC(CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028636758	0	56	0.0	-77.14	412.97	4.49	-72.65
C[N@H+]1CCC(CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028636758	1	56	0.0	-78.11	412.33	4.55	-73.56
CCC(C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028636761	0	55	0.0	-71.11	395.74	3.80	-67.31
C[NH+](C)CCCCC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028636776	0	58	0.0	-74.36	430.94	4.95	-69.41
CC(C)C(C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028636781	0	58	0.0	-67.45	406.82	4.28	-63.17
CCC[N@H+](C)CCC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028636782	0	58	0.0	-74.27	427.18	4.78	-69.49
CCC[N@@H+](C)CCC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028636782	1	58	0.0	-74.48	427.17	4.79	-69.69
CCC[N@H+](C)CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028636783	0	55	0.0	-75.62	405.06	4.29	-71.33
CCC[N@@H+](C)CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028636783	1	55	0.0	-75.59	405.10	4.30	-71.29
C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028636798	0	53	0.0	-68.48	382.76	3.23	-65.25
C[N@H+]1CCC[C@@H]1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028636798	1	53	0.0	-68.33	387.27	3.64	-64.69
CC[NH+](CC)CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028636810	0	55	0.0	-70.24	397.08	3.92	-66.32
C[NH+](C)CC1(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300028636865	0	56	0.0	-75.60	413.61	4.32	-71.28
C[NH+]1CCC(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300028636891	0	56	0.0	-80.16	406.82	4.17	-75.99
CC(C)[C@H](C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028636906	0	58	0.0	-67.32	409.28	4.26	-63.06
CC[N@H+](C)CCC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028636941	0	55	0.0	-73.62	405.67	4.04	-69.58
CC[N@@H+](C)CCC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028636941	1	55	0.0	-73.62	405.68	4.04	-69.58
CC1CCC[N@@H+]1CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028636952	0	56	0.0	-72.22	411.91	4.55	-67.67
CC1CCC[N@H+]1CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028636952	1	56	0.0	-68.22	404.56	4.25	-63.97
CC1CC[N@H+](CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028636953	0	56	0.0	-74.78	411.90	4.61	-70.17
CC1CC[N@@H+](CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028636953	1	56	0.0	-74.79	411.91	4.62	-70.17
CC[C@@H](C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028636956	0	55	0.0	-68.29	392.61	3.67	-64.62
C[NH+](C)CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028636995	0	49	0.0	-72.14	365.58	2.76	-69.38
CN1C=C[N+](CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)=C1	REAL300028636996	0	51	0.0	-72.36	397.07	6.39	-65.97
C[N@@H+]1CCCC(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028636999	0	56	0.0	-72.51	406.85	4.13	-68.38
C[N@H+]1CCCC(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028636999	1	56	0.0	-68.27	400.72	4.45	-63.82
CC(C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+]1CCC1	REAL300028637007	1	53	0.0	-64.95	390.94	3.56	-61.39
C[NH+](C)CC(C)(C)C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028637010	0	58	0.0	-72.27	406.67	3.95	-68.32
C[N@H+](CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300028637017	0	53	0.0	-68.53	395.12	4.28	-64.25
C[N@@H+](CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300028637017	1	53	0.0	-68.36	394.84	4.16	-64.20
C[NH+]1CC(CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028637028	0	53	0.0	-71.76	396.87	3.64	-68.12
C[C@@H](C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028637041	0	52	0.0	-73.22	382.02	3.18	-70.04
C[N@H+](CCO)CCC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028637081	0	56	0.0	-73.81	416.03	0.81	-73.00
C[N@@H+](CCO)CCC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028637081	1	56	0.0	-72.46	415.77	0.83	-71.63
C[C@@H](C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028637082	0	52	0.0	-73.22	382.02	3.18	-70.04
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028637085	0	56	0.0	-73.38	397.85	4.07	-69.31
C[N@H+]1CCCC[C@@H]1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028637085	1	56	0.0	-66.06	406.94	4.45	-61.61
O=C(C[NH+]1CCC1)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028637112	1	50	0.0	-72.18	376.05	3.39	-68.79
C[N@@H+]1CCC(=CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028637122	0	54	0.0	-70.23	402.16	4.34	-65.89
C[N@H+]1CCC(=CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028637122	1	54	0.0	-70.18	402.41	4.36	-65.82
C[NH+](C)CCOCC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028637132	0	56	0.0	-72.30	421.35	3.90	-68.40
C[C@H](C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028637143	0	52	0.0	-68.44	381.04	3.08	-65.36
CC1C[NH+](CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028637160	1	53	0.0	-72.14	397.10	3.95	-68.19
C[N@H+](CCO)CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028637173	1	53	0.0	-76.09	393.91	0.30	-75.79
C[N@@H+](CCO)CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028637173	1	53	0.0	-75.76	393.59	0.33	-75.43
CC(CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C[NH+](C)C	REAL300028637185	0	58	0.0	-74.06	423.05	4.94	-69.12
CC[N@H+](C)CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028637187	0	52	0.0	-75.24	383.61	3.56	-71.68
CC[N@@H+](C)CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028637187	1	52	0.0	-75.20	383.56	3.53	-71.67
CC[N@H+](CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300028637197	0	56	0.0	-70.52	407.26	4.75	-65.77
CC[N@@H+](CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300028637197	1	56	0.0	-69.11	411.49	4.74	-64.37
CC[NH+](CC)CCC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028637203	0	58	0.0	-72.80	423.87	4.87	-67.93
CC1(C)C[NH+](CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028637211	1	56	0.0	-72.11	416.26	4.47	-67.64
C[NH+](C)CC=CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028637219	0	53	0.0	-74.45	400.75	4.08	-70.37
COCC[N@H+](C)CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028637228	1	56	0.0	-75.61	415.84	2.74	-72.87
COCC[N@@H+](C)CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028637228	1	56	0.0	-76.48	416.16	2.70	-73.78
CC(CCC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028637238	0	58	0.0	-71.08	422.86	4.53	-66.55
CC[N@@H+]1CCC1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028637243	1	53	0.0	-70.65	387.72	3.40	-67.25
CC[N@H+]1CCC1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028637243	1	53	0.0	-72.52	389.49	3.55	-68.97
C=CCC(C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028637268	0	56	0.0	-66.48	405.52	4.21	-62.27
O=C(C[NH+]1CC2CC2C1)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028637276	0	54	0.0	-75.74	401.30	4.76	-70.98
CCCC(C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028637285	0	58	0.0	-72.34	417.26	4.56	-67.78
C[NH+](C)C(C)(C)C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028637287	0	55	0.0	-75.31	386.56	3.40	-71.91
C[N@@H+]1CCCCC1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028637298	0	56	0.0	-68.80	394.61	3.85	-64.95
C[N@H+]1CCCCC1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028637298	1	56	0.0	-67.25	406.69	4.43	-62.82
C[NH+](C)C1(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300028637336	0	53	0.0	-75.83	387.77	3.34	-72.49
O=C(CC[NH+]1CCCC1)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028637337	0	56	0.0	-72.93	413.91	4.54	-68.39
C[N@@H+]1CC2CC1(C(=O)N1CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C1)C2	REAL300028637348	0	54	0.0	-71.17	392.36	3.96	-67.21
C[N@H+]1CC2CC1(C(=O)N1CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C1)C2	REAL300028637348	1	54	0.0	-75.82	392.14	3.85	-71.97
CC(C[NH+](C)C)C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028637384	0	55	0.0	-68.01	402.82	3.94	-64.07
CC(C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+]1CC(C)C1	REAL300028637407	1	56	0.0	-68.97	413.09	4.32	-64.65
CC1CC[N@@H+]1CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028637408	1	53	0.0	-74.29	397.19	3.97	-70.32
CC1CC[N@H+]1CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028637408	1	53	0.0	-72.93	392.24	3.76	-69.17
C[NH+](C)CC(O)CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028637410	0	56	0.0	-76.77	418.21	1.86	-74.91
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028637440	0	56	0.0	-70.35	414.68	4.61	-65.74
CC(CC[NH+](C)C)C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028637441	0	58	0.0	-67.60	424.48	4.55	-63.05
NC(=[NH2+])SCC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028637462	0	47	0.0	-74.65	373.50	-0.20	-74.85
CCC1C[NH+](CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028637524	1	56	0.0	-76.55	418.31	4.68	-71.87
C[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028637528	0	53	0.0	-71.87	387.80	3.74	-68.13
C[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028637528	1	53	0.0	-73.31	383.97	3.39	-69.92
O=C(C[NH+]1CCCCC1)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028637535	0	56	0.0	-71.55	407.33	4.64	-66.91
CC1C(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@@H+]1C	REAL300028637539	0	56	0.0	-77.53	401.23	4.39	-73.14
CC1C(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@H+]1C	REAL300028637539	1	56	0.0	-77.96	399.67	4.09	-73.87
C[N@@H+]1CCCC1C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028637719	0	53	0.0	-69.99	390.64	3.78	-66.21
C[N@H+]1CCCC1C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028637719	1	53	0.0	-64.59	384.09	3.35	-61.24
C[N@@H+]1CCOC(C(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028637745	1	54	0.0	-75.15	390.42	2.81	-72.34
C[N@H+]1CCOC(C(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028637745	1	54	0.0	-69.19	391.44	2.85	-66.34
C[N@@H+]1CCC(CC(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028637896	0	56	0.0	-68.92	412.78	4.53	-64.39
C[N@H+]1CCC(CC(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028637896	1	56	0.0	-77.60	412.34	4.56	-73.04
CCC(C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300028637899	0	55	0.0	-71.26	394.28	3.79	-67.47
C[NH+](C)CCCCC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028637910	0	58	0.0	-76.93	430.92	4.96	-71.97
CC(C)C(C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300028637916	0	58	0.0	-71.90	404.23	4.21	-67.69
CCC[N@H+](C)CCC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028637917	0	58	0.0	-76.78	427.12	4.80	-71.98
CCC[N@@H+](C)CCC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028637917	1	58	0.0	-76.75	427.13	4.80	-71.95
CCC[N@H+](C)CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028637918	0	55	0.0	-73.54	404.76	4.19	-69.35
CCC[N@@H+](C)CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028637918	1	55	0.0	-65.58	404.79	4.20	-61.38
C[NH+](C)CC1(C(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC1	REAL300028637957	0	56	0.0	-73.04	414.42	4.39	-68.65
CC[N@H+](C)CCC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028637964	0	55	0.0	-76.05	405.63	4.04	-72.01
CC[N@@H+](C)CCC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028637964	1	55	0.0	-76.00	405.65	4.05	-71.95
C[NH+]1CCC(C(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC1	REAL300028637990	0	56	0.0	-78.89	409.32	4.43	-74.46
CC(C)[C@H](C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300028638005	0	58	0.0	-72.30	404.21	4.49	-67.81
C[NH+](C)C1(C(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CCC1	REAL300028638033	0	56	0.0	-75.40	391.54	3.34	-72.06
CC1CCC[N@@H+]1CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638058	0	56	0.0	-70.60	410.78	4.58	-66.02
CC1CCC[N@H+]1CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638058	1	56	0.0	-62.58	404.50	4.28	-58.30
CC(C)[C@@H](C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300028638072	0	58	0.0	-71.86	404.24	4.21	-67.65
CC1CC[N@H+](CC(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028638080	0	56	0.0	-72.43	411.15	4.59	-67.84
CC1CC[N@@H+](CC(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028638080	1	56	0.0	-72.70	411.59	4.51	-68.19
CC[C@@H](C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300028638083	0	55	0.0	-69.24	391.67	3.68	-65.56
CC1=[NH+]C=CN1CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638125	1	51	0.0	-69.60	394.97	4.39	-65.21
CC1=C[NH+]=CN1CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638144	1	51	0.0	-72.67	395.29	5.12	-67.55
C[C@@H]1[C@H](C(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC[N@@H+]1C	REAL300028638145	0	56	0.0	-65.98	400.68	4.07	-61.91
C[C@@H]1[C@H](C(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC[N@H+]1C	REAL300028638145	1	56	0.0	-77.49	406.93	4.05	-73.44
C[N@H+](CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1CCC1	REAL300028638178	0	56	0.0	-70.88	411.78	4.78	-66.10
C[N@@H+](CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1CCC1	REAL300028638178	1	56	0.0	-71.50	411.66	4.74	-66.76
C[NH+]1CCC(C(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC1	REAL300028638185	0	56	0.0	-78.89	409.32	4.43	-74.46
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638198	0	53	0.0	-72.34	384.37	3.32	-69.02
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638198	1	53	0.0	-63.42	387.53	3.71	-59.71
C[N@@H+]1CCCCC1C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638242	0	56	0.0	-65.74	397.86	4.11	-61.63
C[N@H+]1CCCCC1C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638242	1	56	0.0	-61.35	405.71	4.36	-56.99
CC1C(C(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC[N@@H+]1C	REAL300028638271	0	56	0.0	-73.29	408.33	4.23	-69.06
CC1C(C(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC[N@H+]1C	REAL300028638271	1	56	0.0	-68.31	399.65	4.09	-64.22
C[C@@H](C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300028638313	0	52	0.0	-71.19	382.97	3.25	-67.94
O=C(CC[NH+]1CCCC1)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638331	0	56	0.0	-75.43	413.86	4.56	-70.87
C[N@H+](CCO)CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638336	1	53	0.0	-65.88	393.64	0.21	-65.67
C[N@@H+](CCO)CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638336	1	53	0.0	-73.89	393.62	0.24	-73.65
CC1C[NH+](CC(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028638387	1	53	0.0	-73.76	397.14	4.01	-69.75
CC[N@H+](C)CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638422	0	52	0.0	-73.22	383.26	3.44	-69.78
CC[N@@H+](C)CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638422	1	52	0.0	-65.18	383.29	3.45	-61.73
COCC[N@H+](C)CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638475	1	56	0.0	-73.56	415.87	2.64	-70.92
COCC[N@@H+](C)CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638475	1	56	0.0	-65.85	415.89	2.61	-63.24
CC(CCC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300028638477	0	58	0.0	-78.84	418.47	4.59	-74.25
CC[N@H+](CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1CC1	REAL300028638482	0	56	0.0	-69.70	414.60	4.84	-64.86
CC[N@@H+](CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1CC1	REAL300028638482	1	56	0.0	-71.85	406.96	4.70	-67.15
C[N@@H+]1CC2CC1(C(=O)N1CCC3(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO3)C2	REAL300028638495	0	54	0.0	-65.29	392.88	4.04	-61.25
C[N@H+]1CC2CC1(C(=O)N1CCC3(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO3)C2	REAL300028638495	1	54	0.0	-75.38	392.07	3.86	-71.52
CC(C[NH+](C)C)C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638504	0	55	0.0	-75.66	401.07	3.82	-71.84
C[NH+](C)C1(C(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC1	REAL300028638510	0	53	0.0	-75.91	387.90	3.48	-72.43
C[C@H](C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300028638521	0	52	0.0	-71.23	379.53	3.08	-68.15
CC[N@@H+]1CCC1C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638524	0	53	0.0	-63.75	387.63	3.37	-60.38
CC[N@H+]1CCC1C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638524	1	53	0.0	-64.14	396.07	3.75	-60.39
NC1=CC=[NH+]C=C1C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638540	0	49	0.0	-74.38	376.26	0.70	-73.68
CCCC(C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300028638544	0	58	0.0	-71.97	417.41	4.62	-67.35
C[NH+](C)C(C)(C)C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638547	0	55	0.0	-74.97	386.96	3.34	-71.63
CC(CC[NH+](C)C)C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638556	0	58	0.0	-75.53	422.73	4.44	-71.09
O=C(C[NH+]1CC2CC2C1)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638619	0	54	0.0	-73.59	400.42	4.60	-68.99
C[N@@H+]1CCCCC1C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638630	0	56	0.0	-65.74	397.86	4.11	-61.63
C[N@H+]1CCCCC1C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638630	1	56	0.0	-61.35	405.71	4.36	-56.99
C[N@@H+]1CCC(=CC(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028638658	0	54	0.0	-70.53	402.25	4.40	-66.13
C[N@H+]1CCC(=CC(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028638658	1	54	0.0	-70.21	402.24	4.41	-65.80
CCC1C[NH+](CC(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028638682	0	56	0.0	-74.57	418.53	4.77	-69.80
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638687	0	53	0.0	-66.24	387.47	3.65	-62.59
C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638687	1	53	0.0	-71.76	384.11	3.35	-68.41
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028638731	0	56	0.0	-74.68	414.62	4.53	-70.15
C[NH+](C)CCOCC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638749	0	56	0.0	-73.40	421.43	3.90	-69.50
O=C(C[NH+]1CCCCC1)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638784	0	56	0.0	-73.07	407.29	4.64	-68.43
C[N@@H+]1CCCC(C(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028638785	0	56	0.0	-63.21	401.56	4.34	-58.87
C[N@H+]1CCCC(C(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028638785	1	56	0.0	-75.77	409.25	4.40	-71.37
CN1C=C[N+](CC(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)=C1	REAL300028638786	0	51	0.0	-71.06	396.79	6.28	-64.78
C[N@H+](CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1CC1	REAL300028638796	0	53	0.0	-70.08	394.82	4.18	-65.90
C[N@@H+](CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1CC1	REAL300028638796	1	53	0.0	-70.97	394.96	4.19	-66.78
CC(CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C[NH+](C)C	REAL300028638804	0	58	0.0	-76.43	422.75	4.84	-71.59
C[NH+]1CC(CC(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028638855	0	53	0.0	-75.47	396.82	3.65	-71.82
C[NH+](C)CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638862	0	49	0.0	-74.00	365.54	2.78	-71.22
C[N@H+](CCO)CCC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638872	0	56	0.0	-75.58	415.98	0.83	-74.75
C[N@@H+](CCO)CCC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638872	1	56	0.0	-75.13	415.85	0.85	-74.28
C[C@@H](C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300028638873	0	52	0.0	-71.19	382.97	3.25	-67.94
CC(C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+]1CC(C)C1	REAL300028638887	0	56	0.0	-71.01	414.73	4.43	-66.58
CC1CC[N@@H+]1CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638888	0	53	0.0	-63.31	391.27	3.59	-59.72
CC1CC[N@H+]1CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638888	1	53	0.0	-71.25	391.65	3.73	-67.52
C[NH+](C)CC=CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638890	0	53	0.0	-69.73	400.39	4.00	-65.73
CC1(C)C[NH+](CC(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028638894	1	56	0.0	-73.70	416.41	4.53	-69.17
CC[NH+](CC)CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638911	0	55	0.0	-71.48	401.12	4.13	-67.35
O=C(C[NH+]1CCC1)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638916	1	50	0.0	-73.83	375.84	3.38	-70.45
CC[NH+](CC)CCC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638936	0	58	0.0	-75.39	419.26	4.47	-70.92
CC(C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+]1CCC1	REAL300028638967	0	53	0.0	-63.26	392.43	3.75	-59.51
C[NH+](C)CC(C)(C)C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638971	0	58	0.0	-74.76	407.46	4.00	-70.76
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638992	0	56	0.0	-65.76	397.84	4.11	-61.65
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638992	1	56	0.0	-63.14	406.80	4.45	-58.69
C[NH+](C)CC(O)CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639002	0	56	0.0	-79.75	418.12	1.85	-77.90
C=CCC(C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300028639014	0	56	0.0	-71.73	410.51	4.38	-67.35
C[N@@H+]1CCCC1C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639216	0	53	0.0	-69.99	390.64	3.78	-66.21
C[N@H+]1CCCC1C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639216	1	53	0.0	-64.59	384.09	3.35	-61.24
C[N@@H+]1CCOC(C(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028639240	1	54	0.0	-75.15	390.42	2.81	-72.34
C[N@H+]1CCOC(C(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028639240	1	54	0.0	-69.19	391.44	2.85	-66.34
CC1=[NH+]C=CN1CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639380	1	51	0.0	-69.60	394.97	4.39	-65.21
C[C@@H]1[C@H](C(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC[N@@H+]1C	REAL300028639400	0	56	0.0	-65.98	400.68	4.07	-61.91
C[C@@H]1[C@H](C(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC[N@H+]1C	REAL300028639400	1	56	0.0	-77.49	406.93	4.05	-73.44
C[NH+](C)C1(C(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CCC1	REAL300028639421	0	56	0.0	-75.40	391.54	3.34	-72.06
CC(C)[C@@H](C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300028639423	0	58	0.0	-71.86	404.24	4.21	-67.65
C[N@H+](CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1CCC1	REAL300028639434	0	56	0.0	-70.88	411.78	4.78	-66.10
C[N@@H+](CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1CCC1	REAL300028639434	1	56	0.0	-71.50	411.66	4.74	-66.76
C[NH+]1CCC(C(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC1	REAL300028639461	0	56	0.0	-78.89	409.32	4.43	-74.46
C[N@@H+]1CCCCC1C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639468	0	56	0.0	-65.74	397.86	4.11	-61.63
C[N@H+]1CCCCC1C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639468	1	56	0.0	-61.35	405.71	4.36	-56.99
CC1=C[NH+]=CN1CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639486	1	51	0.0	-72.67	395.29	5.12	-67.55
C[N@@H+]1CCC(CC(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028639496	0	56	0.0	-68.92	412.78	4.53	-64.39
C[N@H+]1CCC(CC(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028639496	1	56	0.0	-77.60	412.34	4.56	-73.04
CCC(C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300028639499	0	55	0.0	-71.26	394.28	3.79	-67.47
C[NH+](C)CCCCC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639514	0	58	0.0	-76.93	430.92	4.96	-71.97
CC(C)C(C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300028639519	0	58	0.0	-71.90	404.23	4.21	-67.69
CCC[N@H+](C)CCC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639520	0	58	0.0	-76.78	427.12	4.80	-71.98
CCC[N@@H+](C)CCC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639520	1	58	0.0	-76.75	427.13	4.80	-71.95
CCC[N@H+](C)CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639521	0	55	0.0	-73.54	404.76	4.19	-69.35
CCC[N@@H+](C)CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639521	1	55	0.0	-65.58	404.79	4.20	-61.38
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639536	0	53	0.0	-72.34	384.37	3.32	-69.02
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639536	1	53	0.0	-63.42	387.53	3.71	-59.71
CC[NH+](CC)CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639548	0	55	0.0	-71.48	401.12	4.13	-67.35
C[NH+](C)CC1(C(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC1	REAL300028639603	0	56	0.0	-73.04	414.42	4.39	-68.65
C[NH+]1CCC(C(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC1	REAL300028639629	0	56	0.0	-78.89	409.32	4.43	-74.46
CC(C)[C@H](C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300028639644	0	58	0.0	-72.30	404.21	4.49	-67.81
CC[N@H+](C)CCC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639679	0	55	0.0	-76.05	405.63	4.04	-72.01
CC[N@@H+](C)CCC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639679	1	55	0.0	-76.00	405.65	4.05	-71.95
CC1CCC[N@@H+]1CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639690	0	56	0.0	-70.60	410.78	4.58	-66.02
CC1CCC[N@H+]1CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639690	1	56	0.0	-62.58	404.50	4.28	-58.30
CC1CC[N@H+](CC(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028639691	0	56	0.0	-72.43	411.15	4.59	-67.84
CC1CC[N@@H+](CC(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028639691	1	56	0.0	-72.70	411.59	4.51	-68.19
CC[C@@H](C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300028639694	0	55	0.0	-69.24	391.67	3.68	-65.56
C[NH+](C)CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639733	0	49	0.0	-74.00	365.54	2.78	-71.22
CN1C=C[N+](CC(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)=C1	REAL300028639734	0	51	0.0	-71.06	396.79	6.28	-64.78
C[N@@H+]1CCCC(C(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028639737	0	56	0.0	-63.21	401.56	4.34	-58.87
C[N@H+]1CCCC(C(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028639737	1	56	0.0	-75.77	409.25	4.40	-71.37
CC(C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+]1CCC1	REAL300028639745	0	53	0.0	-63.26	392.43	3.75	-59.51
C[NH+](C)CC(C)(C)C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639748	0	58	0.0	-74.76	407.46	4.00	-70.76
C[N@H+](CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1CC1	REAL300028639755	0	53	0.0	-70.08	394.82	4.18	-65.90
C[N@@H+](CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1CC1	REAL300028639755	1	53	0.0	-70.97	394.96	4.19	-66.78
C[NH+]1CC(CC(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028639766	0	53	0.0	-75.47	396.82	3.65	-71.82
C[C@@H](C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300028639779	0	52	0.0	-71.19	382.97	3.25	-67.94
C[N@H+](CCO)CCC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639819	0	56	0.0	-75.58	415.98	0.83	-74.75
C[N@@H+](CCO)CCC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639819	1	56	0.0	-75.13	415.85	0.85	-74.28
C[C@@H](C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300028639820	0	52	0.0	-71.19	382.97	3.25	-67.94
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639823	0	56	0.0	-65.76	397.84	4.11	-61.65
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639823	1	56	0.0	-63.14	406.80	4.45	-58.69
O=C(C[NH+]1CCC1)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639850	1	50	0.0	-73.83	375.84	3.38	-70.45
C[N@@H+]1CCC(=CC(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028639860	0	54	0.0	-70.53	402.25	4.40	-66.13
C[N@H+]1CCC(=CC(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028639860	1	54	0.0	-70.21	402.24	4.41	-65.80
C[NH+](C)CCOCC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639870	0	56	0.0	-73.40	421.43	3.90	-69.50
C[C@H](C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300028639881	0	52	0.0	-71.23	379.53	3.08	-68.15
CC1C[NH+](CC(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028639898	1	53	0.0	-73.76	397.14	4.01	-69.75
C[N@H+](CCO)CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639911	1	53	0.0	-65.88	393.64	0.21	-65.67
C[N@@H+](CCO)CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639911	1	53	0.0	-73.89	393.62	0.24	-73.65
CC(CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C[NH+](C)C	REAL300028639923	0	58	0.0	-76.43	422.75	4.84	-71.59
CC[N@H+](C)CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639925	0	52	0.0	-73.22	383.26	3.44	-69.78
CC[N@@H+](C)CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639925	1	52	0.0	-65.18	383.29	3.45	-61.73
CC[N@H+](CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1CC1	REAL300028639935	0	56	0.0	-69.70	414.60	4.84	-64.86
CC[N@@H+](CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1CC1	REAL300028639935	1	56	0.0	-71.85	406.96	4.70	-67.15
CC[NH+](CC)CCC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639941	0	58	0.0	-75.39	419.26	4.47	-70.92
CC1(C)C[NH+](CC(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028639949	1	56	0.0	-73.70	416.41	4.53	-69.17
C[NH+](C)CC=CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639957	0	53	0.0	-69.73	400.39	4.00	-65.73
COCC[N@H+](C)CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639966	1	56	0.0	-73.56	415.87	2.64	-70.92
COCC[N@@H+](C)CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639966	1	56	0.0	-65.85	415.89	2.61	-63.24
CC(CCC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300028639976	0	58	0.0	-78.84	418.47	4.59	-74.25
CC[N@@H+]1CCC1C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639981	0	53	0.0	-63.75	387.63	3.37	-60.38
CC[N@H+]1CCC1C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639981	1	53	0.0	-64.14	396.07	3.75	-60.39
C=CCC(C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300028640006	0	56	0.0	-71.73	410.51	4.38	-67.35
O=C(C[NH+]1CC2CC2C1)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028640014	0	54	0.0	-73.59	400.42	4.60	-68.99
CCCC(C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300028640023	0	58	0.0	-71.97	417.41	4.62	-67.35
C[NH+](C)C(C)(C)C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028640025	0	55	0.0	-74.97	386.96	3.34	-71.63
C[N@@H+]1CCCCC1C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028640036	0	56	0.0	-65.74	397.86	4.11	-61.63
C[N@H+]1CCCCC1C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028640036	1	56	0.0	-61.35	405.71	4.36	-56.99
C[NH+](C)C1(C(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC1	REAL300028640074	0	53	0.0	-75.91	387.90	3.48	-72.43
O=C(CC[NH+]1CCCC1)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028640075	0	56	0.0	-75.43	413.86	4.56	-70.87
C[N@@H+]1CC2CC1(C(=O)N1CCC3(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO3)C2	REAL300028640086	0	54	0.0	-65.29	392.88	4.04	-61.25
C[N@H+]1CC2CC1(C(=O)N1CCC3(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO3)C2	REAL300028640086	1	54	0.0	-75.38	392.07	3.86	-71.52
CC(C[NH+](C)C)C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028640122	0	55	0.0	-75.66	401.07	3.82	-71.84
CC(C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+]1CC(C)C1	REAL300028640145	0	56	0.0	-71.01	414.73	4.43	-66.58
CC1CC[N@@H+]1CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028640146	0	53	0.0	-63.31	391.27	3.59	-59.72
CC1CC[N@H+]1CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028640146	1	53	0.0	-71.25	391.65	3.73	-67.52
C[NH+](C)CC(O)CC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028640148	0	56	0.0	-79.75	418.12	1.85	-77.90
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028640178	0	56	0.0	-74.68	414.62	4.53	-70.15
CC(CC[NH+](C)C)C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028640179	0	58	0.0	-75.53	422.73	4.44	-71.09
NC(=[NH2+])SCC(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028640200	0	47	0.0	-76.65	373.46	-0.18	-76.83
CCC1C[NH+](CC(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028640262	0	56	0.0	-74.57	418.53	4.77	-69.80
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028640266	0	53	0.0	-66.24	387.47	3.65	-62.59
C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028640266	1	53	0.0	-71.76	384.11	3.35	-68.41
O=C(C[NH+]1CCCCC1)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028640273	0	56	0.0	-73.07	407.29	4.64	-68.43
CC1C(C(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC[N@@H+]1C	REAL300028640277	0	56	0.0	-73.29	408.33	4.23	-69.06
CC1C(C(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC[N@H+]1C	REAL300028640277	1	56	0.0	-68.31	399.65	4.09	-64.22
C[N@@H+]1CCCC1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028640457	0	53	0.0	-69.40	384.16	3.38	-66.02
C[N@H+]1CCCC1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028640457	1	53	0.0	-68.70	382.09	3.20	-65.50
C[N@@H+]1CCOC(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028640483	1	54	0.0	-79.06	400.38	3.16	-75.90
C[N@H+]1CCOC(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028640483	1	54	0.0	-74.70	391.48	2.94	-71.76
C[N@@H+]1CCC(CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028640634	0	56	0.0	-77.14	412.97	4.49	-72.65
C[N@H+]1CCC(CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028640634	1	56	0.0	-78.11	412.33	4.55	-73.56
CCC(C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028640637	0	55	0.0	-71.11	395.74	3.80	-67.31
C[NH+](C)CCCCC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028640648	0	58	0.0	-74.36	430.94	4.95	-69.41
CC(C)C(C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028640654	0	58	0.0	-67.45	406.82	4.28	-63.17
CCC[N@H+](C)CCC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028640655	0	58	0.0	-74.27	427.18	4.78	-69.49
CCC[N@@H+](C)CCC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028640655	1	58	0.0	-74.48	427.17	4.79	-69.69
CCC[N@H+](C)CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028640656	0	55	0.0	-75.62	405.06	4.29	-71.33
CCC[N@@H+](C)CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028640656	1	55	0.0	-75.59	405.10	4.30	-71.29
C[NH+](C)CC1(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300028640695	0	56	0.0	-75.60	413.61	4.32	-71.28
CC[N@H+](C)CCC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028640702	0	55	0.0	-73.62	405.67	4.04	-69.58
CC[N@@H+](C)CCC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028640702	1	55	0.0	-73.62	405.68	4.04	-69.58
C[NH+]1CCC(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300028640728	0	56	0.0	-80.16	406.82	4.17	-75.99
CC(C)[C@H](C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028640743	0	58	0.0	-67.32	409.28	4.26	-63.06
C[NH+](C)C1(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CCC1	REAL300028640771	0	56	0.0	-70.87	387.16	3.57	-67.30
CC1CCC[N@@H+]1CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028640796	0	56	0.0	-72.22	411.91	4.55	-67.67
CC1CCC[N@H+]1CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028640796	1	56	0.0	-68.22	404.56	4.25	-63.97
CC(C)[C@@H](C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028640810	0	58	0.0	-72.38	402.76	4.17	-68.21
CC1CC[N@H+](CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028640818	0	56	0.0	-74.78	411.90	4.61	-70.17
CC1CC[N@@H+](CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028640818	1	56	0.0	-74.79	411.91	4.62	-70.17
CC[C@@H](C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028640821	0	55	0.0	-68.29	392.61	3.67	-64.62
CC1=[NH+]C=CN1CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028640863	1	51	0.0	-71.33	395.28	4.49	-66.84
CC1=C[NH+]=CN1CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028640882	1	51	0.0	-71.43	395.64	5.23	-66.20
C[C@@H]1[C@H](C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@@H+]1C	REAL300028640883	0	56	0.0	-79.36	396.95	3.59	-75.77
C[C@@H]1[C@H](C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@H+]1C	REAL300028640883	1	56	0.0	-78.42	402.54	3.93	-74.49
C[N@H+](CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CCC1	REAL300028640916	0	56	0.0	-73.19	412.09	4.87	-68.32
C[N@@H+](CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CCC1	REAL300028640916	1	56	0.0	-73.47	411.95	4.87	-68.60
C[NH+]1CCC(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300028640923	0	56	0.0	-80.16	406.82	4.17	-75.99
C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028640936	0	53	0.0	-68.48	382.76	3.23	-65.25
C[N@H+]1CCC[C@@H]1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028640936	1	53	0.0	-68.33	387.27	3.64	-64.69
C[N@@H+]1CCCCC1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028640980	0	56	0.0	-68.80	394.61	3.85	-64.95
C[N@H+]1CCCCC1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028640980	1	56	0.0	-67.25	406.69	4.43	-62.82
CC1C(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@@H+]1C	REAL300028641009	0	56	0.0	-77.53	401.23	4.39	-73.14
CC1C(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@H+]1C	REAL300028641009	1	56	0.0	-77.96	399.67	4.09	-73.87
C[C@@H](C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028641051	0	52	0.0	-73.22	382.02	3.18	-70.04
O=C(CC[NH+]1CCCC1)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641069	0	56	0.0	-72.93	413.91	4.54	-68.39
C[N@H+](CCO)CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641074	1	53	0.0	-76.09	393.91	0.30	-75.79
C[N@@H+](CCO)CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641074	1	53	0.0	-75.76	393.59	0.33	-75.43
CC1C[NH+](CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028641125	1	53	0.0	-72.14	397.10	3.95	-68.19
CC[N@H+](C)CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641160	0	52	0.0	-75.24	383.61	3.56	-71.68
CC[N@@H+](C)CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641160	1	52	0.0	-75.20	383.56	3.53	-71.67
COCC[N@H+](C)CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641213	1	56	0.0	-75.61	415.84	2.74	-72.87
COCC[N@@H+](C)CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641213	1	56	0.0	-76.48	416.16	2.70	-73.78
CC(CCC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028641215	0	58	0.0	-71.08	422.86	4.53	-66.55
CC[N@H+](CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300028641220	0	56	0.0	-70.52	407.26	4.75	-65.77
CC[N@@H+](CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300028641220	1	56	0.0	-69.11	411.49	4.74	-64.37
C[N@@H+]1CC2CC1(C(=O)N1CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C1)C2	REAL300028641233	0	54	0.0	-71.17	392.36	3.96	-67.21
C[N@H+]1CC2CC1(C(=O)N1CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C1)C2	REAL300028641233	1	54	0.0	-75.82	392.14	3.85	-71.97
CC(C[NH+](C)C)C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641242	0	55	0.0	-68.01	402.82	3.94	-64.07
C[NH+](C)C1(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300028641248	0	53	0.0	-75.83	387.77	3.34	-72.49
C[C@H](C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028641259	0	52	0.0	-68.44	381.04	3.08	-65.36
CC[N@@H+]1CCC1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641262	1	53	0.0	-70.65	387.72	3.40	-67.25
CC[N@H+]1CCC1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641262	1	53	0.0	-72.52	389.49	3.55	-68.97
NC1=CC=[NH+]C=C1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641278	0	49	0.0	-73.34	376.21	0.65	-72.69
CCCC(C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028641282	0	58	0.0	-72.34	417.26	4.56	-67.78
C[NH+](C)C(C)(C)C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641285	0	55	0.0	-75.31	386.56	3.40	-71.91
CC(CC[NH+](C)C)C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641294	0	58	0.0	-67.60	424.48	4.55	-63.05
O=C(C[NH+]1CC2CC2C1)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641357	0	54	0.0	-75.74	401.30	4.76	-70.98
C[N@@H+]1CCCCC1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641368	0	56	0.0	-68.80	394.61	3.85	-64.95
C[N@H+]1CCCCC1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641368	1	56	0.0	-67.25	406.69	4.43	-62.82
C[N@@H+]1CCC(=CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028641396	0	54	0.0	-70.23	402.16	4.34	-65.89
C[N@H+]1CCC(=CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028641396	1	54	0.0	-70.18	402.41	4.36	-65.82
CCC1C[NH+](CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028641420	1	56	0.0	-76.55	418.31	4.68	-71.87
C[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641425	0	53	0.0	-71.87	387.80	3.74	-68.13
C[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641425	1	53	0.0	-73.31	383.97	3.39	-69.92
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028641469	0	56	0.0	-70.35	414.68	4.61	-65.74
C[NH+](C)CCOCC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641487	0	56	0.0	-72.30	421.35	3.90	-68.40
O=C(C[NH+]1CCCCC1)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641522	0	56	0.0	-71.55	407.33	4.64	-66.91
C[N@@H+]1CCCC(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028641523	0	56	0.0	-72.51	406.85	4.13	-68.38
C[N@H+]1CCCC(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028641523	1	56	0.0	-68.27	400.72	4.45	-63.82
CN1C=C[N+](CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)=C1	REAL300028641524	0	51	0.0	-72.36	397.07	6.39	-65.97
C[N@H+](CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300028641534	0	53	0.0	-68.53	395.12	4.28	-64.25
C[N@@H+](CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300028641534	1	53	0.0	-68.36	394.84	4.16	-64.20
CC(CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C[NH+](C)C	REAL300028641542	0	58	0.0	-74.06	423.05	4.94	-69.12
C[NH+]1CC(CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028641593	0	53	0.0	-71.76	396.87	3.64	-68.12
C[NH+](C)CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641600	0	49	0.0	-72.14	365.58	2.76	-69.38
C[N@H+](CCO)CCC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641610	0	56	0.0	-73.81	416.03	0.81	-73.00
C[N@@H+](CCO)CCC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641610	1	56	0.0	-72.46	415.77	0.83	-71.63
C[C@@H](C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028641611	0	52	0.0	-73.22	382.02	3.18	-70.04
CC(C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+]1CC(C)C1	REAL300028641625	1	56	0.0	-68.97	413.09	4.32	-64.65
CC1CC[N@@H+]1CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641626	1	53	0.0	-74.29	397.19	3.97	-70.32
CC1CC[N@H+]1CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641626	1	53	0.0	-72.93	392.24	3.76	-69.17
C[NH+](C)CC=CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641628	0	53	0.0	-74.45	400.75	4.08	-70.37
CC1(C)C[NH+](CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028641632	1	56	0.0	-72.11	416.26	4.47	-67.64
CC[NH+](CC)CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641649	0	55	0.0	-70.24	397.08	3.92	-66.32
O=C(C[NH+]1CCC1)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641654	1	50	0.0	-72.18	376.05	3.39	-68.79
CC[NH+](CC)CCC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641674	0	58	0.0	-72.80	423.87	4.87	-67.93
CC(C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+]1CCC1	REAL300028641705	1	53	0.0	-64.95	390.94	3.56	-61.39
C[NH+](C)CC(C)(C)C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641709	0	58	0.0	-72.27	406.67	3.95	-68.32
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641730	0	56	0.0	-73.38	397.85	4.07	-69.31
C[N@H+]1CCCC[C@@H]1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641730	1	56	0.0	-66.06	406.94	4.45	-61.61
C[NH+](C)CC(O)CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641740	0	56	0.0	-76.77	418.21	1.86	-74.91
C=CCC(C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028641752	0	56	0.0	-66.48	405.52	4.21	-62.27
CCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641799	0	50	0.0	-75.37	388.26	3.44	-71.93
COCCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641800	0	54	0.0	-75.35	421.93	2.52	-72.83
CC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641801	0	47	0.0	-75.60	367.66	2.64	-72.96
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300028641802	0	51	0.0	-75.28	399.22	4.24	-71.04
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300028641803	0	54	0.0	-75.05	415.10	4.62	-70.43
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCCC1	REAL300028641804	0	57	0.0	-75.14	432.16	5.23	-69.91
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCOCC1	REAL300028641805	0	58	0.0	-77.02	440.68	3.49	-73.53
O=C(CC1CC1)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641806	0	54	0.0	-75.37	419.32	4.89	-70.48
CC(C)(F)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641807	0	53	0.0	-73.74	415.07	4.10	-69.64
CC(F)(F)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641808	0	50	0.0	-73.09	400.11	3.64	-69.45
COCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641809	0	51	0.0	-78.69	400.98	2.81	-75.88
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CC=N1	REAL300028641810	0	53	0.0	-75.28	420.98	3.95	-71.33
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=NC=C1	REAL300028641811	0	53	0.0	-77.96	418.96	3.89	-74.07
CCCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641812	0	53	0.0	-75.22	409.75	4.21	-71.01
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CN=C1	REAL300028641813	0	53	0.0	-76.65	418.76	3.88	-72.77
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CO1	REAL300028641814	0	51	0.0	-75.81	408.00	3.65	-72.16
CC(=O)NCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641815	0	54	0.0	-77.80	426.63	1.13	-76.67
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CC=C1	REAL300028641816	0	54	0.0	-76.75	423.78	5.65	-71.10
CC(C)CC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641817	0	56	0.0	-74.57	426.48	4.80	-69.77
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCCCC1	REAL300028641818	0	60	0.0	-74.87	449.57	5.90	-68.97
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN=CC=N1	REAL300028641819	0	52	0.0	-76.32	415.77	2.06	-74.26
O=C(CC1CCCC1)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641820	0	60	0.0	-74.67	451.59	5.96	-68.71
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CS1	REAL300028641821	0	51	0.0	-75.58	415.92	4.65	-70.93
CC1CC1C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641822	0	54	0.0	-75.05	420.28	4.79	-70.26
CCOCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641823	0	54	0.0	-78.54	422.83	3.77	-74.77
CC(C)=CC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641824	0	54	0.0	-74.20	417.64	4.75	-69.45
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=COCCO1	REAL300028641825	0	54	0.0	-80.91	421.94	3.28	-77.63
CC(=O)NC(C)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641826	0	57	0.0	-78.21	446.19	1.97	-76.24
CC1=CC=C(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028641827	0	54	0.0	-75.28	429.91	4.48	-70.80
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCCO1	REAL300028641828	0	55	0.0	-79.01	424.40	3.91	-75.10
CSCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641829	0	51	0.0	-77.80	411.32	3.87	-73.93
CC1=CC(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=NO1	REAL300028641830	0	53	0.0	-74.98	424.41	3.72	-71.26
CSCCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641831	0	54	0.0	-74.82	432.99	4.68	-70.14
CC(C)CCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641832	0	59	0.0	-75.05	448.82	5.50	-69.55
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CSC=C1	REAL300028641833	0	51	0.0	-76.76	415.43	4.68	-72.08
CC1=C(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C=CO1	REAL300028641834	0	54	0.0	-76.29	425.76	4.55	-71.74
O=C(CC1C=CCC1)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641835	0	58	0.0	-74.95	443.74	5.87	-69.08
O=C(CN1C=NN=N1)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641836	0	52	0.0	-91.09	417.51	3.02	-88.07
CN1C=C(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C=N1	REAL300028641837	0	54	0.0	-78.13	428.81	3.39	-74.74
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC=CCC1	REAL300028641838	0	58	0.0	-74.89	441.82	5.81	-69.08
CC1=NOC(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300028641839	0	53	0.0	-74.84	424.44	3.67	-71.17
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CN1	REAL300028641840	0	52	0.0	-78.79	411.21	3.57	-75.22
CC(=O)CCCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641841	0	58	0.0	-83.23	454.34	4.90	-78.33
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=COC=C1	REAL300028641842	0	51	0.0	-79.51	407.16	3.63	-75.88
O=C(CN1C=CC=N1)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641843	0	54	0.0	-83.29	428.61	3.77	-79.52
CC1=C(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)OC=C1	REAL300028641844	0	54	0.0	-75.37	425.89	4.35	-71.02
CCCCCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641845	0	59	0.0	-75.08	452.75	5.77	-69.31
CC(C)(C)CC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641846	0	59	0.0	-73.66	441.45	5.32	-68.34
CN1C=CC=C1C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641847	0	55	0.0	-76.10	429.28	5.21	-70.89
CCCCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641848	0	56	0.0	-75.18	431.25	4.99	-70.19
CC(C)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641849	0	53	0.0	-75.14	407.80	4.12	-71.02
CCC(C)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641850	0	56	0.0	-75.10	425.93	4.76	-70.34
CC(C)SCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641851	0	57	0.0	-77.35	451.06	5.39	-71.96
CC(=O)N(C)CC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641852	0	57	0.0	-85.30	444.62	3.43	-81.87
CCC(CC)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641853	0	59	0.0	-74.60	446.12	5.28	-69.32
CC(C)OCCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641854	0	60	0.0	-75.06	464.06	4.23	-70.83
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1COCCO1	REAL300028641855	0	56	0.0	-78.95	433.67	2.84	-76.11
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=NN1	REAL300028641856	0	51	0.0	-77.33	405.91	2.25	-75.08
CSC(C)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641857	0	54	0.0	-77.81	429.77	4.42	-73.39
CCOC(C)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641858	0	57	0.0	-78.56	442.62	4.47	-74.09
CCOCCCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641859	0	60	0.0	-77.69	465.28	4.25	-73.44
O=C(COCC1CC1)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641860	0	58	0.0	-78.71	454.63	5.24	-73.47
O=C(CC1CCCO1)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641861	0	58	0.0	-77.91	444.48	4.36	-73.55
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CNN=C1	REAL300028641862	0	51	0.0	-77.59	405.88	2.09	-75.50
COCCCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641863	0	57	0.0	-77.71	443.43	3.28	-74.43
CCSCCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641864	0	57	0.0	-74.68	454.46	5.57	-69.11
CCOC1CC1C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641865	0	58	0.0	-74.58	454.47	4.01	-70.57
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NSN=C1	REAL300028641866	0	49	0.0	-73.86	404.73	1.61	-72.25
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN=NS1	REAL300028641867	0	49	0.0	-77.70	406.05	2.25	-75.45
COC(=O)NCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641868	0	55	0.0	-77.67	437.76	0.53	-77.14
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NOC=C1	REAL300028641869	0	50	0.0	-75.84	402.48	2.91	-72.93
CCCSCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641870	0	57	0.0	-77.27	454.28	5.56	-71.71
CC(=CC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300028641871	0	58	0.0	-73.68	446.00	6.10	-67.58
CC1=NNC(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300028641872	0	54	0.0	-77.48	427.85	2.82	-74.66
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN=CS1	REAL300028641873	0	50	0.0	-77.41	410.93	2.80	-74.61
CCC=C(C)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641874	0	57	0.0	-75.48	436.90	5.49	-69.99
CC1=C(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)N=CO1	REAL300028641875	0	53	0.0	-75.31	420.78	1.08	-74.23
CCOC(CC)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641876	0	60	0.0	-77.40	461.63	5.20	-72.20
O=C(CC(F)(F)F)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641877	0	50	0.0	-79.01	405.67	3.86	-75.15
COC(C)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641878	0	54	0.0	-78.62	419.96	3.57	-75.05
CC(C)OCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641879	0	57	0.0	-78.45	443.11	4.49	-73.96
CCCOCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641880	0	57	0.0	-78.32	444.33	4.57	-73.75
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCOC1	REAL300028641881	0	55	0.0	-77.02	422.41	2.66	-74.36
CN1N=CC=C1C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641882	0	54	0.0	-77.45	424.04	3.39	-74.06
CCC(OC)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641883	0	57	0.0	-77.62	441.78	4.36	-73.26
COCCCCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641884	0	60	0.0	-76.04	464.93	4.06	-71.98
CCCC(C)CC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641885	0	62	0.0	-74.35	466.21	6.22	-68.13
COC(C)CC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641886	0	57	0.0	-76.10	441.07	4.04	-72.06
C=CCCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641887	0	54	0.0	-75.22	422.57	4.77	-70.45
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=COCCC1	REAL300028641888	0	56	0.0	-75.89	429.96	3.96	-71.93
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCCOC1	REAL300028641889	0	58	0.0	-75.17	440.60	3.51	-71.66
CCOCCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641890	0	57	0.0	-75.15	443.78	3.48	-71.67
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CSC=N1	REAL300028641891	0	50	0.0	-75.26	411.02	2.66	-72.60
COCC(C)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641892	0	57	0.0	-75.15	440.64	3.23	-71.92
C=CCOCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641893	0	55	0.0	-78.86	435.74	4.34	-74.52
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=COC=N1	REAL300028641894	0	50	0.0	-75.91	402.78	0.25	-75.66
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@H]1CCC(=O)N1	REAL300028641895	0	55	0.0	-84.44	430.72	1.23	-83.21
CC1=NC=C(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300028641896	0	54	0.0	-80.15	427.69	3.03	-77.12
CSCC(C)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641897	0	57	0.0	-74.62	450.41	5.26	-69.36
C[N@@H+]1CCCC1C(=O)NCCCCCN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641898	1	59	0.0	-70.51	441.66	2.52	-67.99
C[N@H+]1CCCC1C(=O)NCCCCCN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641898	1	59	0.0	-69.76	441.71	2.54	-67.22
CCC(=O)NCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641899	0	57	0.0	-77.46	447.23	1.94	-75.52
CC(C)(C)C=CC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641900	0	60	0.0	-74.89	459.76	5.85	-69.04
COCCOCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641901	0	58	0.0	-80.83	456.46	3.01	-77.82
CCCC(C)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641902	0	59	0.0	-75.06	447.43	5.52	-69.54
O=C(CCC1CC1)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641903	0	57	0.0	-75.18	441.50	5.68	-69.50
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CC1=C(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)OC=N1	REAL300028641910	0	53	0.0	-76.91	420.75	0.97	-75.94
CC(C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300028641911	0	57	0.0	-75.42	437.55	5.59	-69.83
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CC=C(C)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641914	0	54	0.0	-75.61	416.57	4.72	-70.89
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O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCCCO1	REAL300028641922	0	58	0.0	-78.52	442.33	4.73	-73.79
CCC(SC)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641923	0	57	0.0	-76.23	450.15	5.43	-70.80
CC1(C)CC1C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641924	0	57	0.0	-74.22	435.82	5.46	-68.76
CCC(C)OCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641925	0	60	0.0	-78.15	463.87	5.30	-72.85
CC1(C)C[C@@H]1C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641926	0	57	0.0	-74.32	435.51	5.34	-68.98
CSC(C)CC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641927	0	57	0.0	-76.16	448.81	5.24	-70.92
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CCCO1	REAL300028641928	0	55	0.0	-79.37	424.61	3.88	-75.49
C#CCCCCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641929	0	58	0.0	-76.15	458.53	6.29	-69.86
CCNC(=O)CC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641930	0	57	0.0	-85.73	445.83	3.34	-82.39
COC(C)CCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641931	0	60	0.0	-75.59	462.97	4.05	-71.54
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN=CN=C1	REAL300028641932	0	52	0.0	-77.63	413.70	3.70	-73.93
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O=C(CC1=COC=C1)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641934	0	54	0.0	-78.18	429.13	4.29	-73.89
CC1=NC(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CO1	REAL300028641935	0	53	0.0	-75.33	424.77	0.99	-74.34
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CC1=CC(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CO1	REAL300028641937	0	54	0.0	-79.37	429.07	4.46	-74.91
CCC(C)CC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641938	0	59	0.0	-74.49	444.71	5.46	-69.03
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CC(C)(O)CC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641940	0	57	0.0	-77.58	435.24	2.54	-75.04
COC(C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300028641941	0	58	0.0	-77.09	451.20	5.13	-71.96
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CCCCC(C)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641943	0	62	0.0	-74.94	468.93	6.30	-68.64
CC1(C)CC(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641944	0	60	0.0	-74.81	455.40	5.72	-69.09
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CC(C)C#CC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641950	0	55	0.0	-76.08	437.65	5.47	-70.61
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CC1=CNN=C1C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641952	0	54	0.0	-76.63	425.04	2.79	-73.84
CC(C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)=C1CCC1	REAL300028641953	0	58	0.0	-75.26	445.26	6.10	-69.16
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CC(C)(C)C#CC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641955	0	58	0.0	-75.79	457.78	6.00	-69.79
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-]	REAL300028641956	0	53	0.0	-79.14	427.85	4.48	-74.66
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CC1CCC(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641958	0	60	0.0	-75.00	452.05	5.84	-69.16
C#CCOCCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641959	0	56	0.0	-76.54	449.57	4.03	-72.51
C#CCOC(C)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641960	0	56	0.0	-81.14	448.40	5.01	-76.13
C=CCC(C)(C)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641961	0	60	0.0	-75.14	455.85	5.77	-69.37
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC12CCC2	REAL300028641962	0	58	0.0	-74.49	446.21	6.05	-68.44
CN(C)C(=O)CC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641963	0	57	0.0	-86.38	442.12	4.43	-81.95
CN1C=CC(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300028641964	0	54	0.0	-77.81	429.72	3.56	-74.25
COCCC(C)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641965	0	60	0.0	-77.48	459.61	3.81	-73.67
O=C(CN1N=CN=N1)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641966	0	52	0.0	-84.10	419.03	2.62	-81.48
CCCC[C@@H](C)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641967	0	62	0.0	-74.85	469.05	6.20	-68.65
CCC(C)(C)CC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641968	0	62	0.0	-73.46	455.68	5.81	-67.65
CC(C)C(C)(C)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641969	0	62	0.0	-74.45	453.44	5.62	-68.83
C=CC(C)(C)CC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641970	0	60	0.0	-73.48	450.11	5.72	-67.76
O=C(CN1N=CC=N1)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641971	0	53	0.0	-82.39	424.00	2.11	-80.28
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1C[C@H]1C1CC1	REAL300028641972	0	58	0.0	-75.02	452.47	6.36	-68.66
CCC(C)(CC)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641973	0	62	0.0	-75.11	456.85	5.65	-69.46
C=C(C)CCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641974	0	57	0.0	-74.91	444.18	5.43	-69.48
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=NS1	REAL300028641975	0	50	0.0	-75.92	410.99	3.30	-72.62
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@]12C[C@H]1COC2	REAL300028641976	0	56	0.0	-77.19	434.80	3.34	-73.85
CC1(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028641977	0	54	0.0	-75.21	416.65	4.72	-70.49
CNC(=O)NCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641978	0	56	0.0	-78.79	441.78	-0.23	-79.02
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@H]1CCCO1	REAL300028641979	0	55	0.0	-79.26	424.64	3.87	-75.39
CC(CC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300028641980	0	60	0.0	-74.42	456.59	6.28	-68.14
CC(C)(C(N)=O)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641981	0	57	0.0	-86.01	438.27	2.28	-83.73
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(C2CC2)CC1	REAL300028641982	0	58	0.0	-74.85	440.57	6.33	-68.52
COC1CC(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641983	0	58	0.0	-74.88	448.49	3.61	-71.27
C=CCCOCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641984	0	58	0.0	-78.32	457.14	5.13	-73.19
C=CCOC(C)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641985	0	58	0.0	-78.81	455.52	5.04	-73.77
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NSC=C1	REAL300028641986	0	50	0.0	-74.41	410.26	3.12	-71.29
CC(C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300028641987	0	60	0.0	-74.83	454.59	5.97	-68.86
CC1CC(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CO1	REAL300028641988	0	58	0.0	-75.92	443.59	3.57	-72.35
NC(=O)CCCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641989	0	57	0.0	-85.68	447.43	1.06	-84.62
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(F)CCCC1	REAL300028641990	0	57	0.0	-73.22	438.74	5.26	-67.96
CN1C=NC=C1C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641991	0	54	0.0	-77.89	424.24	4.90	-72.99
CC(C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(C)(C)C	REAL300028641992	0	62	0.0	-73.50	453.73	5.71	-67.79
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NNN=C1	REAL300028641993	0	50	0.0	-75.03	401.30	0.68	-74.35
CC1=C(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)NC=N1	REAL300028641994	0	54	0.0	-80.26	423.69	3.81	-76.45
COCC1(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028641995	0	58	0.0	-78.31	455.18	3.77	-74.54
COCC(C)(C)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641996	0	60	0.0	-75.28	458.29	3.88	-71.40
CN1N=CC(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300028641997	0	53	0.0	-76.32	424.35	1.79	-74.53
O=C(CCC(F)F)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028641998	0	53	0.0	-77.94	422.42	4.48	-73.46
CC1(CC(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028641999	0	57	0.0	-74.70	440.02	5.47	-69.23
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(CCF)CC1	REAL300028642000	0	57	0.0	-75.32	449.04	5.61	-69.71
CCC(C(=O)NCCCCCN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028642001	1	61	0.0	-67.32	448.96	2.87	-64.45
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CSN=N1	REAL300028642002	0	49	0.0	-74.73	405.76	2.02	-72.71
CC1(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCCC1	REAL300028642003	0	60	0.0	-75.12	449.71	5.75	-69.37
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN=CO1	REAL300028642004	0	50	0.0	-77.24	402.79	0.35	-76.89
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CCC(=O)N1	REAL300028642005	0	55	0.0	-84.84	430.70	1.23	-83.61
CCC[N@H+](C)CC(=O)NCCCCCN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642006	1	61	0.0	-71.26	460.84	3.25	-68.01
CCC[N@@H+](C)CC(=O)NCCCCCN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642006	1	61	0.0	-71.21	460.84	3.27	-67.94
CC1=NNC=C1C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642007	0	54	0.0	-80.84	423.98	2.69	-78.15
CC1=C(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)NN=N1	REAL300028642008	0	53	0.0	-78.64	418.66	1.35	-77.29
CCCC(OC)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642009	0	60	0.0	-77.65	463.28	5.14	-72.51
C=C(C)C(C)(C)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642010	0	60	0.0	-75.24	451.80	5.58	-69.66
CC(CC(N)=O)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642011	0	57	0.0	-76.86	441.27	0.88	-75.98
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCNC1=O	REAL300028642012	0	55	0.0	-75.44	428.93	0.94	-74.50
C=CC(C)(C)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642013	0	57	0.0	-75.67	435.45	5.08	-70.59
C[N@@H+]1CCC[C@@H]1C(=O)NCCCCCN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642014	1	59	0.0	-70.61	441.65	2.49	-68.12
C[N@H+]1CCC[C@@H]1C(=O)NCCCCCN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642014	1	59	0.0	-68.38	447.95	2.92	-65.46
C[C@@H]1C[C@H]1C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642015	0	54	0.0	-75.03	420.28	4.79	-70.24
CC1(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300028642016	0	57	0.0	-75.07	432.78	5.18	-69.89
CC1COC(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028642017	0	58	0.0	-79.02	444.94	4.50	-74.52
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@]12C[C@H]1CCC2	REAL300028642018	0	58	0.0	-75.36	443.48	5.94	-69.42
CC[NH+](CC)CC(=O)NCCCCCN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642019	1	61	0.0	-68.79	456.98	3.16	-65.63
CCC(F)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642020	0	53	0.0	-76.81	416.03	4.24	-72.57
O=C(CCCF)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642021	0	53	0.0	-78.00	416.34	4.35	-73.65
CC1=COC=C1C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642022	0	54	0.0	-78.85	426.02	4.30	-74.55
C[C@H]1C[C@@H]1C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642023	0	54	0.0	-75.05	420.28	4.78	-70.27
CC1(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C=CCC1	REAL300028642024	0	58	0.0	-74.99	442.66	5.65	-69.34
CN1N=NC(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300028642025	0	52	0.0	-78.14	419.24	1.35	-76.79
CC(C)C(F)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642026	0	56	0.0	-76.60	434.47	4.75	-71.85
C=CC(C)C(C)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642027	0	60	0.0	-74.09	456.32	5.89	-68.20
CCC1(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300028642028	0	60	0.0	-75.02	453.83	5.76	-69.26
CC#CCCCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642029	0	58	0.0	-78.59	458.86	6.47	-72.12
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@H]1[C@@H]2COC[C@@H]21	REAL300028642030	0	56	0.0	-76.57	434.77	3.44	-73.13
O=C(CCCC1CC1)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642031	0	60	0.0	-75.32	462.99	6.46	-68.86
CC1(C)CCC1C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642032	0	60	0.0	-74.13	450.99	5.85	-68.28
CC1=COC(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300028642033	0	54	0.0	-75.58	429.90	4.35	-71.23
C=CC(CC)CC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642034	0	60	0.0	-74.77	458.88	5.97	-68.80
CC(C)(C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300028642035	0	60	0.0	-75.64	449.97	5.82	-69.82
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@H]1C[C@H]2C[C@H]2C1	REAL300028642036	0	58	0.0	-75.15	442.82	5.96	-69.19
O=C(CC1=CON=C1)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642037	0	53	0.0	-80.57	423.38	3.73	-76.84
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(F)CCOC1	REAL300028642038	0	55	0.0	-74.68	428.57	2.64	-72.04
CC(C)(C)CCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642039	0	62	0.0	-75.09	464.99	5.90	-69.19
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=NC=N1	REAL300028642040	0	52	0.0	-74.86	416.03	3.74	-71.12
O=C(CC1=CC=CO1)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642041	0	54	0.0	-79.34	429.15	4.46	-74.88
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NC=CC=N1	REAL300028642042	0	52	0.0	-79.73	416.60	3.13	-76.60
CCC(C)CCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642043	0	62	0.0	-75.06	467.05	6.15	-68.91
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CN=N1	REAL300028642044	0	52	0.0	-76.06	416.04	2.80	-73.26
CC1OCCC1C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642045	0	58	0.0	-77.64	439.23	3.54	-74.10
CC1(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCOC1	REAL300028642046	0	58	0.0	-75.63	441.14	3.15	-72.48
CCC(CC)CC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642047	0	62	0.0	-74.52	459.05	5.99	-68.53
CCC(C)C(C)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642048	0	62	0.0	-74.18	460.00	5.95	-68.23
CCCC(CC)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642049	0	62	0.0	-74.79	464.43	5.91	-68.88
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC(F)C1	REAL300028642050	0	57	0.0	-77.58	438.77	5.28	-72.30
C=CCCCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642051	0	57	0.0	-75.60	444.06	5.55	-70.05
CCC(C)(C)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642052	0	59	0.0	-75.30	440.91	5.18	-70.12
CCCC(C)(C)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642053	0	62	0.0	-75.23	462.41	5.94	-69.29
NC(=O)C1(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028642054	0	55	0.0	-75.90	437.98	0.73	-75.17
NC(=O)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642055	0	48	0.0	-74.71	383.60	-1.23	-75.94
CC1=NOC=C1C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642056	0	53	0.0	-80.18	421.21	3.70	-76.48
CCC1(C)CC1C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642057	0	60	0.0	-73.99	452.57	5.93	-68.06
COCC(C)CC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642058	0	60	0.0	-76.86	459.42	3.91	-72.95
CC1(CCC(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028642059	0	60	0.0	-75.24	457.84	6.04	-69.20
CC1=C(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)ON=C1	REAL300028642060	0	53	0.0	-74.37	421.00	3.78	-70.59
CC1(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC=CC1	REAL300028642061	0	58	0.0	-75.69	442.20	5.68	-70.01
COC(C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(C)C	REAL300028642062	0	60	0.0	-77.12	458.56	4.98	-72.14
CC1CC1CC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642063	0	57	0.0	-75.36	440.70	5.56	-69.80
C=CC(C)(CC)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642064	0	60	0.0	-75.44	446.35	6.15	-69.29
O=C(C[C@H]1CCOC1)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642065	0	58	0.0	-77.31	442.47	3.49	-73.82
CCC1(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028642066	0	57	0.0	-75.19	441.92	5.45	-69.74
CC(F)(F)CC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642067	0	53	0.0	-80.74	420.16	4.41	-76.33
CCCC1(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028642068	0	60	0.0	-75.23	462.97	6.20	-69.03
COCC(OC)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642069	0	58	0.0	-78.50	451.15	2.98	-75.52
CCC[C@@H]1C[C@H]1C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642070	0	60	0.0	-74.85	463.18	6.33	-68.52
CC(C)C1(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028642071	0	60	0.0	-74.88	455.69	6.20	-68.68
C=C1CC(C)(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028642072	0	58	0.0	-74.98	446.37	5.68	-69.30
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(CF)CC1	REAL300028642073	0	54	0.0	-75.23	421.37	4.81	-70.42
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2(CC2)C1	REAL300028642074	0	58	0.0	-74.99	447.80	6.13	-68.86
CC(C)(C)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642075	0	56	0.0	-75.20	426.69	4.68	-70.52
CCCCCCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642076	0	62	0.0	-75.12	474.25	6.55	-68.57
CC[N@H+](C)CCC(=O)NCCCCCN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642077	1	61	0.0	-73.19	461.71	3.06	-70.13
CC[N@@H+](C)CCC(=O)NCCCCCN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642077	1	61	0.0	-72.61	460.93	3.04	-69.57
CC1=CON=C1C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642078	0	53	0.0	-75.51	421.63	3.69	-71.82
NC(=O)[C@@H]1C[C@@H]1C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642079	0	55	0.0	-83.78	432.97	1.25	-82.53
CC[C@@H](C(=O)NCCCCCN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028642080	1	61	0.0	-69.27	456.14	3.55	-65.72
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(CF)CCC1	REAL300028642081	0	57	0.0	-75.38	435.67	5.21	-70.17
O=C(CN1C=NC=N1)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642082	0	53	0.0	-85.83	423.36	5.19	-80.64
O=C(CC1=NNC=N1)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642083	0	53	0.0	-82.63	423.00	3.19	-79.44
CC(C)C(C)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642084	0	59	0.0	-74.35	441.83	5.32	-69.03
CC[C@@H]1C[C@H]1C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642085	0	57	0.0	-75.23	441.68	5.55	-69.68
CC(C)CCCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642086	0	62	0.0	-74.98	470.32	6.28	-68.70
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC12CC2	REAL300028642087	0	55	0.0	-75.34	431.35	5.59	-69.75
O=C(CC1=CNC=N1)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642088	0	54	0.0	-82.34	426.91	4.01	-78.33
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CC(=O)N1	REAL300028642089	0	52	0.0	-83.96	413.34	0.04	-83.92
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CCCCC1	REAL300028642090	0	58	0.0	-75.31	440.11	6.00	-69.31
CC(=CC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(C)C	REAL300028642091	0	60	0.0	-73.69	456.22	5.99	-67.70
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@H]1CC(=O)N1	REAL300028642092	0	52	0.0	-84.64	412.73	-0.21	-84.85
O=C(CN1C=NC=N1)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642093	0	53	0.0	-85.83	423.36	5.19	-80.64
COC1(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028642094	0	55	0.0	-78.58	427.19	4.00	-74.58
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CSC1	REAL300028642095	0	52	0.0	-76.45	414.99	4.27	-72.18
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(O)CCCC1	REAL300028642096	0	58	0.0	-76.58	439.67	2.19	-74.39
C=CCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642097	0	51	0.0	-75.62	401.17	3.99	-71.63
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[N-]=[N+]=NCCCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642100	0	55	0.0	-78.10	439.89	0.86	-77.24
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CC1CCC(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028642113	0	58	0.0	-79.22	445.72	4.73	-74.49
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CC(O)CCCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642152	0	60	0.0	-77.94	463.06	2.48	-75.46
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CC(C)(C)C(O)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642160	0	60	0.0	-75.11	449.37	2.46	-72.65
C#CCCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642161	0	52	0.0	-75.41	415.54	4.73	-70.68
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CC(C)C(O)CC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642163	0	60	0.0	-77.87	454.86	3.32	-74.55
CCCC(C)(O)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642164	0	60	0.0	-74.00	456.85	2.31	-71.69
CCOC(C)(C)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642165	0	60	0.0	-78.96	454.56	4.92	-74.04
C#C[C@H]1C[C@H]1C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642166	0	53	0.0	-77.70	421.77	5.29	-72.41
[N-]=[N+]=NC1(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028642167	0	53	0.0	-72.05	422.12	1.20	-70.85
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CC1=CC(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CN1	REAL300028642202	0	55	0.0	-81.03	433.25	4.20	-76.83
COCC(C)(O)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642203	0	58	0.0	-74.82	451.23	0.45	-74.37
CC1=C(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300028642204	0	58	0.0	-74.43	441.95	5.92	-68.51
C=C1CC(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028642205	0	55	0.0	-76.15	428.22	5.11	-71.04
CC(O)(C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300028642206	0	58	0.0	-74.09	444.16	2.08	-72.01
CC1=NC=C(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028642207	0	53	0.0	-76.59	424.77	1.10	-75.49
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1F	REAL300028642208	0	54	0.0	-78.45	419.14	4.72	-73.73
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN=CN1	REAL300028642209	0	51	0.0	-80.72	405.71	3.18	-77.54
CC1=NOC(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300028642210	0	52	0.0	-77.39	419.32	1.12	-76.27
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2CC2C1	REAL300028642211	0	58	0.0	-75.17	442.63	5.95	-69.22
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CCSC1	REAL300028642212	0	53	0.0	-75.93	424.00	4.92	-71.01
CCCC(O)CC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642213	0	60	0.0	-78.07	461.92	3.37	-74.70
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(Cl)CC1	REAL300028642214	0	51	0.0	-73.11	414.37	4.66	-68.45
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CCCO1	REAL300028642215	0	53	0.0	-74.17	416.48	3.24	-70.93
C[NH+](C)CC=CC(=O)NCCCCCN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642216	1	59	0.0	-76.08	458.06	3.07	-73.01
CCC[C@H](O)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642217	0	57	0.0	-76.29	441.18	2.82	-73.47
CCC(C)(OC)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642218	0	60	0.0	-78.83	451.24	4.65	-74.18
CC(C)[C@H](O)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642219	0	57	0.0	-75.98	435.47	2.74	-73.24
CC(C)C(CO)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642220	0	60	0.0	-74.24	450.17	2.45	-71.79
CCOC=CC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642221	0	55	0.0	-74.65	434.90	3.68	-70.97
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCCC1O	REAL300028642223	0	58	0.0	-76.84	440.21	3.62	-73.22
C[C@@H](O)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642224	0	51	0.0	-76.48	399.18	1.22	-75.26
NC(=O)C(O)CC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642225	0	55	0.0	-83.94	435.32	-1.10	-85.04
CCC(C)=C(C)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642226	0	60	0.0	-74.15	450.93	6.07	-68.08
COC1(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300028642227	0	58	0.0	-73.45	441.97	3.89	-69.56
CC(C)(O)CCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642228	0	60	0.0	-75.28	458.15	2.24	-73.04
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CSN=C1	REAL300028642229	0	50	0.0	-78.33	409.67	3.29	-75.04
CC1CC(C)(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028642230	0	60	0.0	-75.22	447.99	5.72	-69.50
CNC(=O)CCC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642231	0	57	0.0	-77.51	447.87	1.76	-75.75
O=C(CCCCF)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642232	0	56	0.0	-76.01	437.84	5.13	-70.88
O=C(C=CCO)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642233	0	52	0.0	-78.74	412.93	0.69	-78.05
O=C(CC1=CN=CO1)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642234	0	53	0.0	-81.80	423.82	1.17	-80.63
COC(C)(C)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642235	0	57	0.0	-79.05	432.71	4.00	-75.05
C[NH+](C)C(C)(C)C(=O)NCCCCCN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642236	1	61	0.0	-72.73	447.36	3.06	-69.67
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(F)(F)CO	REAL300028642237	0	51	0.0	-75.75	409.63	1.68	-74.07
O=C(CCCCO)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642238	0	57	0.0	-76.56	442.67	1.65	-74.91
CC1=C(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C=NO1	REAL300028642239	0	53	0.0	-76.46	420.72	3.88	-72.58
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CNC(=O)C1	REAL300028642240	0	55	0.0	-83.05	429.24	1.04	-82.01
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CNC(=O)N1	REAL300028642241	0	54	0.0	-86.48	424.58	-1.21	-87.69
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN=CS1	REAL300028642242	0	50	0.0	-77.41	410.93	2.80	-74.61
CC1=CC=C(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300028642243	0	55	0.0	-78.10	433.12	4.13	-73.97
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(CO)CC1	REAL300028642244	0	55	0.0	-79.07	431.76	1.40	-77.67
COC1(CC(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028642245	0	58	0.0	-78.03	449.11	5.11	-72.92
CC[C@H](C)[C@H](O)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642246	0	60	0.0	-76.08	452.76	3.97	-72.11
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@]12C[C@H]1[C@H](O)C2	REAL300028642247	0	56	0.0	-79.71	438.63	2.02	-77.69
O=C(CCCCCF)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642248	0	59	0.0	-77.26	459.34	5.91	-71.35
COC(F)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642249	0	51	0.0	-79.37	406.88	2.28	-77.09
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CC1CC2	REAL300028642250	0	55	0.0	-75.53	427.36	5.32	-70.21
CCCC(C)=CC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642251	0	60	0.0	-73.65	460.89	6.27	-67.38
C=C[C@H](C)CC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642252	0	57	0.0	-74.44	439.39	5.24	-69.20
O=C(C=CC1CC1)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642253	0	55	0.0	-75.00	433.94	5.53	-69.47
CC=C(CC)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642254	0	57	0.0	-75.13	437.60	5.43	-69.70
O=C(CC12CC(C1)C2)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642255	0	58	0.0	-75.30	441.98	6.07	-69.23
CCC(C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(C)O	REAL300028642256	0	60	0.0	-74.38	448.70	2.70	-71.68
C=CC(C)(O)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642257	0	55	0.0	-74.45	428.92	1.62	-72.83
CCC(C)(CO)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642258	0	60	0.0	-78.96	450.83	1.91	-77.05
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CC(C1)CO2	REAL300028642260	0	56	0.0	-73.99	431.98	3.32	-70.67
C[C@@H](C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(C)(C)O	REAL300028642261	0	60	0.0	-77.25	448.51	3.27	-73.98
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CC(C1)OC2	REAL300028642262	0	56	0.0	-76.28	432.76	3.11	-73.17
CC(O)C1CC1C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642263	0	58	0.0	-74.95	444.89	3.71	-71.24
C[C@@H]1C[C@@]2(C(=O)NCCCCC[NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C[C@@H]12	REAL300028642264	0	58	0.0	-75.41	448.33	5.96	-69.45
O=C(CN1C=NC=N1)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642265	0	53	0.0	-85.83	423.36	5.19	-80.64
CC1(C#CC(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028642266	0	56	0.0	-76.05	448.72	6.17	-69.88
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CCC1	REAL300028642267	0	52	0.0	-76.05	409.38	4.69	-71.36
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=C(F)O1	REAL300028642268	0	51	0.0	-73.36	414.42	3.76	-69.60
CON=CC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642269	0	51	0.0	-78.99	410.72	2.02	-76.97
C#CCC(C)(C)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642270	0	58	0.0	-75.26	450.15	5.75	-69.51
CN(CC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(N)=O	REAL300028642271	0	56	0.0	-82.30	438.32	0.94	-81.36
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(F)CC1	REAL300028642273	0	51	0.0	-73.43	405.10	4.17	-69.26
O=C(COCCO)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642274	0	55	0.0	-81.54	434.20	0.64	-80.90
CC(C)(CF)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642275	0	56	0.0	-74.90	431.69	4.76	-70.14
CC(C)[C@@H](O)CC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642276	0	60	0.0	-78.22	457.55	3.12	-75.10
CSC1(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028642277	0	55	0.0	-73.60	442.85	5.30	-68.30
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NOCC1	REAL300028642278	0	52	0.0	-74.35	412.42	2.20	-72.15
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(CCO)CC1	REAL300028642279	0	58	0.0	-75.96	453.88	2.12	-73.84
CC(C)C(C)(O)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642280	0	60	0.0	-73.54	450.07	2.29	-71.25
CC(C[NH+](C)C)C(=O)NCCCCCN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642281	1	61	0.0	-72.43	459.24	3.10	-69.33
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NN=CS1	REAL300028642282	0	49	0.0	-75.56	406.95	1.70	-73.86
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(F)C1CCC1	REAL300028642283	0	57	0.0	-76.10	438.27	5.39	-70.71
CC1(C)CC(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028642284	0	58	0.0	-79.85	448.85	4.27	-75.58
CC1CC(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=NO1	REAL300028642285	0	55	0.0	-74.07	433.51	2.94	-71.13
CC1(F)CC(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028642286	0	57	0.0	-74.86	442.61	5.32	-69.54
COCC(O)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642287	0	55	0.0	-77.99	432.40	0.62	-77.37
C#CC(C)(C)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642288	0	55	0.0	-78.44	432.51	5.12	-73.32
COC(C)C(O)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642289	0	58	0.0	-78.20	450.68	1.49	-76.71
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@H]1CNC(=O)N1	REAL300028642290	0	54	0.0	-86.29	424.63	-1.22	-87.51
CCSC(C)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642291	0	57	0.0	-77.62	451.23	5.32	-72.30
O=C(COC1CC1)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642293	0	55	0.0	-79.31	433.32	4.46	-74.85
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NC=CN1	REAL300028642294	0	51	0.0	-75.65	406.83	2.38	-73.27
O=C(C=CC1CCC1)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642295	0	58	0.0	-74.84	450.38	6.06	-68.78
CCCC=CC(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642296	0	57	0.0	-74.98	444.42	5.59	-69.39
CC=C(F)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642297	0	51	0.0	-73.09	406.80	4.12	-68.97
CCC(C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(C)C	REAL300028642298	0	62	0.0	-74.24	459.63	5.72	-68.52
CSC(C)(C)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642299	0	57	0.0	-78.29	443.61	5.03	-73.26
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(F)=C1CCC1	REAL300028642300	0	55	0.0	-73.09	433.17	5.43	-67.66
CCC(CO)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642301	0	57	0.0	-74.86	434.29	1.86	-73.00
CC(CO)C(=O)NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028642302	0	54	0.0	-75.53	418.39	0.83	-74.70
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CON=C1	REAL300028642303	0	50	0.0	-77.21	402.43	3.19	-74.02
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1C[C@H]1CF	REAL300028642304	0	54	0.0	-77.82	426.87	4.92	-72.90
C#CC1(C(=O)NCCCCC[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028642305	0	53	0.0	-74.43	424.59	5.19	-69.24
O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=COCC1	REAL300028642306	0	53	0.0	-76.04	415.08	3.19	-72.85
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O=C(NCCCCC[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=NO1	REAL300028643011	0	50	0.0	-74.83	402.48	3.07	-71.76
CCN(C(=O)C1CCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028643148	0	45	0.0	-70.15	348.79	3.21	-66.94
CCN(C(=O)C1CCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028643148	1	45	0.0	-65.85	349.72	3.20	-62.65
CCN(C(=O)CCN1C=C[NH+]=C1C(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028643374	1	52	0.0	-68.05	408.22	5.35	-62.70
CCN(C(=O)C(C)[NH+]1CCCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028643382	0	54	0.0	-74.78	390.85	5.42	-69.36
CCN(C(=O)C1CCCC[N@@H+]1C(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028643385	0	54	0.0	-61.18	380.53	5.13	-56.05
CCN(C(=O)C1CCCC[N@H+]1C(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028643385	1	54	0.0	-62.57	387.01	4.38	-58.19
CCN(C(=O)C1CCC[N@@H+]1C(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028643421	0	51	0.0	-70.67	373.01	4.47	-66.20
CCN(C(=O)C1CCC[N@H+]1C(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028643421	1	51	0.0	-63.70	385.43	4.31	-59.39
CCN(C(=O)C1CC2CCCC[N@@H+]2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028643451	0	52	0.0	-65.60	382.49	5.73	-59.87
CCN(C(=O)C1CC2CCCC[N@H+]2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028643451	1	52	0.0	-70.29	387.46	4.98	-65.31
CCN(C(=O)CN1C=C[NH+]=C1C(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028643491	1	49	0.0	-59.47	383.96	6.25	-53.22
CCN(C(=O)CN1C=C[NH+]=C1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028643553	1	43	0.0	-60.54	350.56	5.15	-55.39
CCN(C(=O)C(C)C[NH+]1CCOCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028643555	1	52	0.0	-82.62	391.55	3.64	-78.98
CCN(C(=O)CCC[NH+]1CCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028643578	0	54	0.0	-74.61	407.50	5.49	-69.12
CCN(C(=O)C(C)(C)[NH+]1CCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028643619	0	54	0.0	-68.58	375.56	4.87	-63.71
CCN(C(=O)C1CC[N@@H+](C2CCCCC2)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028643622	0	58	0.0	-74.36	426.99	6.16	-68.20
CCN(C(=O)C1CC[N@H+](C2CCCCC2)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028643622	1	58	0.0	-69.88	428.87	6.18	-63.70
CCN(C(=O)C1C[NH+]2CCC1CC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028643640	0	49	0.0	-72.98	362.74	3.83	-69.15
CCN(C(=O)C1CCCC2CCC[N@@H+]21)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028643707	0	52	0.0	-62.51	387.45	4.96	-57.55
CCN(C(=O)C1CCCC2CCC[N@H+]21)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028643707	1	52	0.0	-66.03	382.97	4.89	-61.14
CCN(C(=O)C1=CN(CC[NH+](C)C)N=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028643710	0	51	0.0	-81.38	397.86	4.59	-76.79
CCN(C(=O)C1=NN(CC[NH+](C)C)C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028643727	0	51	0.0	-87.79	404.53	4.43	-83.36
CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028643735	0	48	0.0	-78.00	358.54	3.29	-74.71
CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028643735	1	48	0.0	-76.79	364.84	3.55	-73.24
CCC1=[NH+]C=CN1C(C)CC(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028643739	1	52	0.0	-68.37	408.38	5.51	-62.86
CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028643742	0	51	0.0	-81.30	377.96	4.76	-76.54
CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028643742	1	51	0.0	-80.97	386.30	5.02	-75.95
CCN(C(=O)C1C[N@H+](CC)CCO1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028643772	1	49	0.0	-75.77	366.63	3.06	-72.71
CCN(C(=O)C1C[N@@H+](CC)CCO1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028643772	1	49	0.0	-74.20	374.91	3.07	-71.13
CCN(C(=O)C(F)C[NH+](CC)CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028643848	0	50	0.0	-74.83	378.94	5.23	-69.60
CCN(C(=O)C1=C(C[NH+](C)C)C=CS1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028643849	0	48	0.0	-62.30	375.59	5.42	-56.88
CCN(C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028643903	1	52	0.0	-79.65	406.94	4.04	-75.61
CCN(C(=O)C1=NNC(C2CCC[N@H+]2C)=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028643903	1	52	0.0	-80.09	406.56	4.06	-76.03
CCN(C(=O)C[NH+]1C(C)CCC1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028643978	0	51	0.0	-70.14	379.50	4.20	-65.94
CCN(C(=O)CCC[NH+]1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028643989	0	51	0.0	-74.29	392.28	4.82	-69.47
CCN(C(=O)C1=CC=CC(C[NH+](C)C)=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028643990	0	51	0.0	-76.70	394.28	6.64	-70.06
C#CC[NH+]1CCC(C(=O)N(CC)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028644000	0	50	0.0	-73.36	391.12	4.97	-68.39
CCN(C(=O)CC[NH+]1CCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644002	0	51	0.0	-74.83	385.97	4.70	-70.13
CCN(C(=O)C1=CC=CC=C1C[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644006	0	51	0.0	-54.22	380.65	6.46	-47.76
CCN(C(=O)C1CCCC[N@@H+]1CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644018	0	51	0.0	-64.31	383.06	4.56	-59.75
CCN(C(=O)C1CCCC[N@H+]1CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644018	1	51	0.0	-66.64	374.95	4.27	-62.37
CCN(C(=O)C(C(C)C)[NH+]1CCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644019	0	57	0.0	-71.46	401.46	5.21	-66.25
CCN(C(=O)C(C1=CC=CC=C1)[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644023	1	51	0.0	-68.90	393.24	5.36	-63.54
CCN(C(=O)C1CC[N@H+](CC(C)C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644050	0	54	0.0	-81.56	405.11	5.93	-75.63
CCN(C(=O)C1CC[N@@H+](CC(C)C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644050	1	54	0.0	-67.64	405.52	5.97	-61.67
CCN(C(=O)C1([NH+](C)C)CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644054	0	48	0.0	-64.17	342.51	4.27	-59.90
CCN(C(=O)C1CCC[N@@H+]1C1CCOCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644057	0	56	0.0	-74.43	407.12	4.10	-70.33
CCN(C(=O)C1CCC[N@H+]1C1CCOCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644057	1	56	0.0	-72.72	401.73	3.46	-69.26
CCN(C(=O)C(CN1C=CC=N1)[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644059	1	51	0.0	-67.50	391.96	3.32	-64.18
CCN(C(=O)CC1CCC[N@@H+]1C(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644066	0	54	0.0	-70.26	390.11	5.77	-64.49
CCN(C(=O)CC1CCC[N@H+]1C(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644066	1	54	0.0	-57.87	382.57	5.92	-51.95
CCN(C(=O)C1CCC[N@@H+]1C1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644067	0	55	0.0	-69.87	401.03	5.60	-64.27
CCN(C(=O)C1CCC[N@H+]1C1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644067	1	55	0.0	-64.95	409.05	5.74	-59.21
CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644097	0	50	0.0	-65.49	362.61	4.89	-60.60
CCN(C(=O)C[N@H+](C)C1CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644170	0	48	0.0	-71.37	368.68	4.24	-67.13
CCN(C(=O)C[N@@H+](C)C1CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644170	1	48	0.0	-71.55	368.91	4.14	-67.41
CCN(C(=O)C(C)[NH+]1C(C)CCC1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644275	0	54	0.0	-69.22	392.30	4.54	-64.68
CCN(C(=O)CCN(C)C1=CC=[NH+]C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644360	0	50	0.0	-71.07	394.58	3.94	-67.13
C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644374	1	47	0.0	-62.91	367.14	4.79	-58.12
C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644374	1	47	0.0	-66.62	375.49	4.37	-62.25
CCN(C(=O)CCC1CCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644386	0	51	0.0	-73.25	381.75	4.28	-68.97
CCN(C(=O)CCC1CCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644386	1	51	0.0	-77.43	389.80	4.80	-72.63
CCN(C(=O)C12CCC[NH+](CCC1)C2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644403	0	52	0.0	-78.40	371.49	4.69	-73.71
CCN(C(=O)C1CCC2CCCC[N@@H+]21)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644411	0	52	0.0	-67.83	385.99	5.06	-62.77
CCN(C(=O)C1CCC2CCCC[N@H+]21)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644411	1	52	0.0	-60.92	382.52	5.98	-54.94
CCN(C(=O)C(C)(C)C[NH+]1CCOCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644423	0	55	0.0	-76.02	393.47	3.76	-72.26
CCN(C(=O)C1=CC=C(C[NH+](CC)CC)O1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644440	0	54	0.0	-80.29	415.68	5.51	-74.78
CCN(C(=O)CCCC[NH+]1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644445	0	54	0.0	-72.05	412.37	6.90	-65.15
CCN(C(=O)C[N@H+](C)CC1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644448	1	51	0.0	-78.25	399.17	5.85	-72.40
CCN(C(=O)C[N@@H+](C)CC1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644448	1	51	0.0	-78.48	399.47	5.75	-72.73
CCN(C(=O)C1CC[NH+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644466	0	48	0.0	-70.90	366.74	3.71	-67.19
CCN(C(=O)C1=NOC(C[NH+](C)C)=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644539	1	47	0.0	-79.31	376.42	5.07	-74.24
CCN(C(=O)C1=C(C)N2C=[NH+]C=C2C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644541	0	46	0.0	-75.47	373.86	6.04	-69.43
CCN(C(=O)C1CCCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644600	0	48	0.0	-65.19	349.76	4.14	-61.05
CCN(C(=O)C1CCCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644600	1	48	0.0	-64.96	364.48	3.88	-61.08
CCN(C(=O)C1CCC[N@@H+]1CC(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644637	0	54	0.0	-69.91	405.63	5.32	-64.59
CCN(C(=O)C1CCC[N@H+]1CC(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644637	1	54	0.0	-70.71	395.68	4.58	-66.13
CCN(C(=O)C1=CN2C=[NH+]C=C2C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644826	0	43	0.0	-81.50	355.63	6.83	-74.67
CCN(C(=O)CCCN1C=C[NH+]=C1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644842	1	49	0.0	-66.94	392.02	6.49	-60.45
CCN(C(=O)CCCC[NH+]1CCOCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644846	1	55	0.0	-74.60	419.32	5.17	-69.43
CCN(C(=O)C1=CC=C(C[NH+](C)C)C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644852	0	51	0.0	-89.57	396.52	6.67	-82.90
CCN(C(=O)CC[NH+]1CCOCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644853	1	49	0.0	-78.34	377.71	2.32	-76.02
CCN(C(=O)C(C)(C1=CC=CC=C1)[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644875	0	54	0.0	-73.74	385.95	4.91	-68.83
CCC[NH+](CCC)CCCC(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644883	0	59	0.0	-69.00	443.60	7.79	-61.21
CCN(C(=O)C(C1=CC=CC=C1)[N@H+](C)CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644884	0	54	0.0	-69.58	404.37	6.13	-63.45
CCN(C(=O)C(C1=CC=CC=C1)[N@@H+](C)CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644884	1	54	0.0	-63.51	402.93	6.91	-56.60
CCN(C(=O)CN1C=[NH+]C=C1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644911	1	43	0.0	-72.74	352.22	4.59	-68.15
CCN(C(=O)CN1C=[NH+]C2=C1CCCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644925	1	50	0.0	-71.09	394.41	6.23	-64.86
CCN(C(=O)C1(C[NH+](C)C)CCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644973	0	57	0.0	-78.06	391.56	5.26	-72.80
CCN(C(=O)C1=CC=CC=C1CC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644974	0	54	0.0	-73.40	416.98	7.45	-65.95
CCN(C(=O)CC[N@H+](C)C1CCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644981	0	57	0.0	-72.86	419.46	7.18	-65.68
CCN(C(=O)CC[N@@H+](C)C1CCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644981	1	57	0.0	-76.41	421.22	5.80	-70.61
CCN(C(=O)C12CCC[NH+]1CCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644987	0	49	0.0	-68.18	358.50	3.69	-64.49
CCN(C(=O)C1CCCC([NH+](C)C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645031	0	54	0.0	-65.52	393.40	4.69	-60.83
CCN(C(=O)CC1CC[N@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645038	0	48	0.0	-75.51	368.61	3.90	-71.61
CCN(C(=O)CC1CC[N@@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645038	1	48	0.0	-72.49	368.53	5.20	-67.29
CCN(C(=O)C1=C[NH+]=CC=C1N(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645052	0	47	0.0	-83.19	366.72	3.60	-79.59
CCC(C(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028645058	0	47	0.0	-75.32	349.98	4.09	-71.23
CCN(C(=O)CC1([NH+](C)C)CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645083	0	54	0.0	-69.08	382.59	5.68	-63.40
CCN(C(=O)C1=CC2=C[NH+]=CN2C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645162	1	43	0.0	-81.50	355.75	6.91	-74.59
CCN(C(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645211	1	46	0.0	-85.69	379.53	4.38	-81.31
CCN(C(=O)CCCC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645247	0	50	0.0	-74.22	386.41	5.72	-68.50
CCN(C(=O)C(C(C)C)[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645272	0	50	0.0	-64.89	361.54	4.59	-60.30
CCC[N@H+](C)CCC(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645274	0	50	0.0	-76.21	384.02	4.24	-71.97
CCC[N@@H+](C)CCC(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645274	1	50	0.0	-76.18	384.02	4.25	-71.93
CCC[N@H+](C)CC(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645281	0	47	0.0	-73.73	361.66	3.67	-70.06
CCC[N@@H+](C)CC(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645281	1	47	0.0	-73.67	361.69	3.68	-69.99
CCN(C(=O)C12CC[N@H+](C1)CCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645314	0	49	0.0	-74.89	350.67	3.06	-71.83
CCN(C(=O)C12CC[N@@H+](C1)CCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645314	1	49	0.0	-80.37	350.09	2.92	-77.45
CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645390	0	45	0.0	-70.13	344.31	3.11	-67.02
CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645390	1	45	0.0	-70.54	341.58	2.76	-67.78
CCN(C(=O)C1CCC2CC(C)C[N@@H+]2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645421	0	55	0.0	-62.57	403.58	5.64	-56.93
CCN(C(=O)C1CCC2CC(C)C[N@H+]2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645421	1	55	0.0	-71.09	400.16	6.47	-64.62
CCCCCC[N@H+](C)CC(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645481	0	56	0.0	-74.93	426.12	6.00	-68.93
CCCCCC[N@@H+](C)CC(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645481	1	56	0.0	-74.93	426.18	6.02	-68.91
CCN(C(=O)C(C(C)C)[NH+](CC)CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645493	0	56	0.0	-62.89	391.65	6.08	-56.81
CCN(C(=O)C[NH+](CC)CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645506	0	47	0.0	-65.30	357.25	4.92	-60.38
CCC[N@@H+]1CCCC(C(=O)N(CC)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028645539	0	54	0.0	-68.82	406.67	5.18	-63.64
CCC[N@H+]1CCCC(C(=O)N(CC)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028645539	1	54	0.0	-68.55	405.08	5.10	-63.45
CCN(C(=O)C1CCCC[N@@H+]1C1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645552	0	58	0.0	-74.30	410.62	6.71	-67.59
CCN(C(=O)C1CCCC[N@H+]1C1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645552	1	58	0.0	-60.64	409.37	6.73	-53.91
CCN(C(=O)C1C[N@@H+](C(C)C)CCO1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645565	1	52	0.0	-63.72	382.16	4.33	-59.39
CCN(C(=O)C1C[N@H+](C(C)C)CCO1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645565	1	52	0.0	-64.79	380.74	4.53	-60.26
CCN(C(=O)C[NH+]1CCC(C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645609	0	51	0.0	-74.23	385.22	4.64	-69.59
CCN(C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645643	1	46	0.0	-79.03	372.85	4.54	-74.49
CCN(C(=O)COC1CC[NH+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645653	0	52	0.0	-82.40	401.00	5.45	-76.95
CCN(C(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645673	0	48	0.0	-69.80	367.31	3.63	-66.17
CCN(C(=O)C1CCC2=C[NH+]=C(C)N2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645674	1	50	0.0	-62.69	389.65	4.81	-57.88
CCN(C(=O)C1CC[NH+](C(C)C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645786	0	54	0.0	-68.31	397.41	4.67	-63.64
CCN(C(=O)C1CC[NH+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645818	0	48	0.0	-70.90	366.74	3.71	-67.19
CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645841	0	50	0.0	-64.32	360.76	4.53	-59.79
CCC(C(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300028645881	0	53	0.0	-71.37	385.12	5.40	-65.97
CCN(C(=O)CC[N@H+](C)CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645985	0	47	0.0	-75.45	362.52	3.51	-71.94
CCN(C(=O)CC[N@@H+](C)CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645985	1	47	0.0	-75.62	362.91	3.43	-72.19
CCN(C(=O)C[N@@H+]1CCCC1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646074	0	48	0.0	-63.12	359.73	4.92	-58.20
CCN(C(=O)C[N@H+]1CCCC1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646074	1	48	0.0	-69.54	359.91	3.64	-65.90
CCN(C(=O)C[N@@H+]1CCC(C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646077	0	48	0.0	-66.85	367.24	5.37	-61.48
CCN(C(=O)C[N@H+]1CCC(C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646077	1	48	0.0	-72.90	368.62	4.00	-68.90
CCN(C(=O)C1(F)CC[N@@H+](C(C)(C)C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646078	0	54	0.0	-64.39	391.87	5.29	-59.10
CCN(C(=O)C1(F)CC[N@H+](C(C)(C)C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646078	1	54	0.0	-69.25	392.26	4.27	-64.98
CCN(C(=O)C1CCN2C(=C[NH+]=C2C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646080	1	50	0.0	-65.18	392.34	4.93	-60.25
CCN(C(=O)C1=CC=C(CC[NH+](C)C)C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646082	0	54	0.0	-91.49	419.02	7.51	-83.98
CCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646084	0	51	0.0	-73.05	387.89	4.49	-68.56
CCN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646084	1	51	0.0	-72.89	387.70	4.49	-68.40
CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646085	0	53	0.0	-73.47	392.04	4.70	-68.77
CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646085	1	53	0.0	-67.01	388.97	5.94	-61.07
CCN(C(=O)C[N@H+](C)CCC1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646086	0	54	0.0	-77.75	421.95	6.60	-71.15
CCN(C(=O)C[N@@H+](C)CCC1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646086	1	54	0.0	-77.63	421.59	6.68	-70.95
CC[C@@H](C(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028646098	0	47	0.0	-78.03	354.85	4.26	-73.77
CCN(C(=O)COCC(C)[NH+]1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646106	0	55	0.0	-71.06	418.69	5.06	-66.00
CCN(C(=O)C1CC[NH+](CC2CC2)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646223	0	55	0.0	-71.17	415.93	5.92	-65.25
CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1C1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646286	0	55	0.0	-79.40	425.93	6.49	-72.91
CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646286	1	55	0.0	-84.62	426.00	6.53	-78.09
CCN(C(=O)CC1(O)CC[NH+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646397	0	52	0.0	-76.14	392.55	2.50	-73.64
CCN(C(=O)CC1CCC[N@@H+]1CCOC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646406	0	55	0.0	-72.07	420.77	3.62	-68.45
CCN(C(=O)CC1CCC[N@H+]1CCOC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646406	1	55	0.0	-75.03	412.63	3.66	-71.37
CCN(C(=O)C[NH+]1CCC(CO)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646419	0	52	0.0	-75.27	396.05	1.33	-73.94
CCN(C(=O)C[NH+]1CCCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646423	0	51	0.0	-73.20	373.89	4.22	-68.98
CCN(C(=O)C[N+]1=CN(C)C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646428	0	43	0.0	-70.32	353.66	5.76	-64.56
CCN(C(=O)C1CCC[N@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646441	0	48	0.0	-64.24	360.09	3.94	-60.30
CCN(C(=O)C1CCC[N@@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646441	1	48	0.0	-74.72	365.38	3.77	-70.95
CCN(C(=O)C1CCC[N@@H+]1C1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646446	0	49	0.0	-62.70	375.01	5.01	-57.69
CCN(C(=O)C1CCC[N@H+]1C1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646446	1	49	0.0	-61.95	366.91	5.40	-56.55
CCN(C(=O)C(C)[NH+]1CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646487	0	45	0.0	-63.07	338.04	3.68	-59.39
CCC(CC(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300028646499	0	53	0.0	-57.35	396.53	6.22	-51.13
CCN(C(=O)C(C)(C)C[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646508	0	50	0.0	-73.48	359.51	4.37	-69.11
CCN(C(=O)C12CC(C1)C[N@@H+]2C1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646532	0	50	0.0	-71.89	376.61	4.51	-67.38
CCN(C(=O)C12CC(C1)C[N@H+]2C1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646532	1	50	0.0	-75.88	367.28	5.87	-70.01
CCN(C(=O)C[NH+]1CCC(O)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646560	0	49	0.0	-77.46	375.62	0.68	-76.78
CCN(C(=O)C[N@H+](C)C1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646562	0	45	0.0	-71.17	352.22	3.57	-67.60
CCN(C(=O)C[N@@H+](C)C1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646562	1	45	0.0	-62.59	350.32	4.96	-57.63
CCN(C(=O)C(C)N1CC[NH+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646563	1	53	0.0	-70.21	399.31	2.08	-68.13
CCN(C(=O)CC1C[NH+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646599	0	45	0.0	-67.26	352.49	4.39	-62.87
CCN(C(=O)C1CC[N@@H+]1C1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646603	0	52	0.0	-73.81	392.78	5.16	-68.65
CCN(C(=O)C1CC[N@H+]1C1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646603	1	52	0.0	-74.15	391.56	4.85	-69.30
CCN(C(=O)C1CC[N@@H+]1C(C)(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646612	0	51	0.0	-68.72	362.00	3.04	-65.68
CCN(C(=O)C1CC[N@H+]1C(C)(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646612	1	51	0.0	-70.46	382.12	3.80	-66.66
CCN(C(=O)C1CCN(C2=CC=[NH+]C=C2)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646625	0	51	0.0	-70.21	399.42	2.64	-67.57
CCN(C(=O)[C@H](C)[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646629	0	44	0.0	-77.42	340.37	3.47	-73.95
CCC1CCC[N@H+](CC(=O)N(CC)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028646688	0	54	0.0	-74.20	404.61	5.41	-68.79
CCC1CCC[N@@H+](CC(=O)N(CC)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028646688	1	54	0.0	-73.91	396.42	5.34	-68.57
CCN(C(=O)C1=CC=C(C[NH+](C)C)N1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646698	0	49	0.0	-94.88	378.78	5.52	-89.36
CCN(C(=O)CC1CC2CCC(C1)[NH+]2C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646715	0	55	0.0	-76.37	386.73	6.05	-70.32
CCN(C(=O)CC(C1=CC=CC=C1)[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646722	0	54	0.0	-78.45	405.94	7.48	-70.97
CCN(C(=O)CN1C=CSC1=[NH2+])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646770	0	41	0.0	-61.12	348.60	3.79	-57.33
CCN(C(=O)CC[N@H+](C)CCO)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646783	0	48	0.0	-74.94	372.87	0.29	-74.65
CCN(C(=O)CC[N@@H+](C)CCO)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646783	1	48	0.0	-74.89	372.88	0.28	-74.61
CCN(C(=O)[C@H](C)[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646784	0	44	0.0	-77.42	340.37	3.47	-73.95
CCN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646789	0	48	0.0	-65.77	365.29	3.91	-61.86
CCN(C(=O)[C@H]1CCCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646789	1	48	0.0	-71.73	350.56	3.25	-68.48
CCN(C(=O)C1C[N@@H+]2CCN1CC2C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646800	0	51	0.0	-79.56	370.26	0.82	-78.74
CCN(C(=O)C1C[N@H+]2CCN1CC2C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646800	1	51	0.0	-75.43	367.89	0.62	-74.81
CCN(C(=O)C12CCC[N@@H+]1CC(OC)C2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646854	0	53	0.0	-67.38	390.98	2.46	-64.92
CCN(C(=O)C12CCC[N@H+]1CC(OC)C2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646854	1	53	0.0	-67.41	390.54	2.61	-64.80
CCN(C(=O)CC1=CC2=C[NH+]=CN2C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646872	0	46	0.0	-61.58	375.54	7.76	-53.82
CCN(C(=O)C[N@H+](C)C1CCSC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646909	0	49	0.0	-78.21	382.08	4.41	-73.80
CCN(C(=O)C[N@@H+](C)C1CCSC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646909	1	49	0.0	-70.68	380.62	5.77	-64.91
CCN(C(=O)C[NH+]1CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646910	1	42	0.0	-74.08	332.90	2.58	-71.50
CCN(C(=O)C1=CC=NC(C[NH+](C)C)=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646954	1	50	0.0	-73.01	389.63	5.19	-67.82
CCN(C(=O)C=C1CC[N@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646956	0	46	0.0	-76.66	361.26	3.90	-72.76
CCN(C(=O)C=C1CC[N@@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646956	1	46	0.0	-76.96	361.65	3.93	-73.03
CCN(C(=O)C1C[NH+](C2CCCCC2)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646987	0	55	0.0	-78.01	413.19	5.46	-72.55
CCN(C(=O)COCC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647008	0	48	0.0	-67.08	376.91	4.41	-62.67
CCCCC[N@H+](C)CCC(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647016	0	56	0.0	-77.41	427.40	5.73	-71.68
CCCCC[N@@H+](C)CCC(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647016	1	56	0.0	-71.26	425.65	7.11	-64.15
CCN(C(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647028	0	52	0.0	-69.69	400.62	4.16	-65.53
C=CCC(C)(C(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028647040	0	51	0.0	-59.27	352.76	4.59	-54.68
CCN(C(=O)C(O)CC[S+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647045	0	47	0.0	-82.30	382.23	2.81	-79.49
CCN(C(=O)C1(C)CC(O)C[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647088	0	49	0.0	-73.10	360.50	0.27	-72.83
CCN(C(=O)C1CN(C)CC[N@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647103	0	53	0.0	-67.46	394.51	2.19	-65.27
CCN(C(=O)C1CN(C)CC[N@@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647103	1	53	0.0	-67.46	394.51	2.19	-65.27
CCN(C(=O)C(C)[N@@H+]1CCCC(O)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647104	0	52	0.0	-77.67	391.36	2.16	-75.51
CCN(C(=O)CC1(O)CCC[N@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647133	0	52	0.0	-72.65	389.89	2.73	-69.92
CCN(C(=O)CC1(O)CCC[N@@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647133	1	52	0.0	-72.65	389.89	2.73	-69.92
CCN(C(=O)CN1CC(C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647137	0	45	0.0	-66.88	352.40	4.63	-62.25
CCN(C(=O)C[NH+]1CC(C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647137	1	45	0.0	-66.88	352.40	4.63	-62.25
CCN(C(=O)CN(C)CCO)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647169	0	45	0.0	-74.46	350.54	-0.31	-74.77
CCN(C(=O)C[N@H+](C)CCO)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647169	1	45	0.0	-73.55	350.59	-0.28	-73.83
CCN(C(=O)C[N@@H+](C)CCO)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647169	1	45	0.0	-73.55	350.59	-0.28	-73.83
CCN(C(=O)C=C1CC2CCC(C1)[NH+]2C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647202	0	53	0.0	-64.76	395.10	6.57	-58.19
CCN(C(=O)C1C[N@@H+]2CCN1CCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647207	0	51	0.0	-70.03	366.38	2.27	-67.76
CCN(C(=O)C1C[N@H+]2CCN1CCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647207	1	51	0.0	-70.03	366.38	2.27	-67.76
CCN(C(=O)C1CCC[N@H+](CC)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647218	0	51	0.0	-78.98	382.17	5.30	-73.68
CCN(C(=O)C1CCC[N@@H+](CC)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647218	1	51	0.0	-78.98	382.17	5.30	-73.68
CCN(C(=O)CC(C)C[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647220	0	50	0.0	-70.56	378.23	5.59	-64.97
CCN(C(=O)C[N@H+](C)CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647238	0	44	0.0	-73.32	340.13	2.92	-70.40
CCN(C(=O)C12CCC[N@@H+]1CCCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647270	0	52	0.0	-61.04	360.74	4.55	-56.49
CCN(C(=O)C12CCC[N@H+]1CCCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647270	1	52	0.0	-61.04	360.74	4.55	-56.49
CCN(C(=O)C12CCC[N@@H+]1CC=CC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647280	0	50	0.0	-67.71	359.18	3.75	-63.96
CCN(C(=O)C12CCC[N@H+]1CC=CC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647280	1	50	0.0	-67.71	359.18	3.75	-63.96
CCN(C(=O)C[N@H+](CC)C1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647313	0	48	0.0	-69.94	371.39	4.20	-65.74
CCN(C(=O)CC[NH+](CC)CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647338	0	50	0.0	-69.96	374.65	5.24	-64.72
CCN(C(=O)CN1CC(C)(C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647379	0	48	0.0	-68.27	371.74	5.15	-63.12
CCN(C(=O)C[NH+]1CC(C)(C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647379	1	48	0.0	-68.27	371.74	5.15	-63.12
CCN(C(=O)CCCC[NH+]1CCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647385	0	57	0.0	-74.64	429.00	6.29	-68.35
CCN(C(=O)C[N@@H+]1CCC(C)(O)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647423	0	49	0.0	-72.45	378.46	0.67	-71.78
CCN(C(=O)C=CC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647436	0	45	0.0	-73.92	358.00	4.86	-69.06
CCN(C(=O)C(C)OCC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647467	0	51	0.0	-67.66	390.44	4.82	-62.84
CCN(C(=O)CCOCC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647480	0	51	0.0	-73.50	397.85	4.39	-69.11
CCN(C(=O)CN(C)CCOC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647481	0	48	0.0	-74.75	372.79	2.10	-72.65
CCN(C(=O)C[N@H+](C)CCOC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647481	1	48	0.0	-73.20	372.77	2.08	-71.12
CCN(C(=O)C[N@@H+](C)CCOC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647481	1	48	0.0	-73.20	372.77	2.08	-71.12
CCN(C(=O)CC[N@H+](C)CCCCOC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647519	0	57	0.0	-80.32	439.58	4.02	-76.30
CCN(C(=O)CC[N@@H+](C)CCCCOC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647519	1	57	0.0	-80.32	439.58	4.02	-76.30
CCN(C(=O)C1([NH+](C)C)CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647547	0	51	0.0	-63.64	354.91	4.96	-58.68
CCN(C(=O)CCC(C)[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647550	0	50	0.0	-67.45	378.33	5.32	-62.13
CCN(C(=O)C1CCN1CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647561	0	45	0.0	-72.73	352.02	3.19	-69.54
CCN(C(=O)C1CC[N@@H+]1CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647561	1	45	0.0	-72.27	350.58	3.10	-69.17
CCN(C(=O)C1CC[N@H+]1CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647561	1	45	0.0	-72.27	350.58	3.10	-69.17
CCN(C(=O)C1CCC[N@@H+](C(C)C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647577	0	54	0.0	-71.57	391.58	5.86	-65.71
CCN(C(=O)C1CCC[N@H+](C(C)C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647577	1	54	0.0	-71.57	391.58	5.86	-65.71
CCN(C(=O)C1CCN(C2=NC=CN2C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647578	0	52	0.0	-66.47	405.01	4.74	-61.73
CCN(C(=O)C1CCN(C2=[NH+]C=CN2C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647578	1	52	0.0	-66.47	405.01	4.74	-61.73
CCN(C(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647585	0	54	0.0	-80.87	416.43	7.01	-73.86
CCN(C(=O)C[N@@H+]1CCCC1CO)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647594	0	49	0.0	-72.18	377.24	0.80	-71.38
CCN(C(=O)C1CC2CCCC[N@@H+]2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647627	0	52	0.0	-70.29	387.46	4.98	-65.31
CCN(C(=O)C1CC2CCCC[N@H+]2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647627	1	52	0.0	-70.29	387.46	4.98	-65.31
CCN(C(=O)C1(C)CC[NH+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647638	0	51	0.0	-70.08	371.96	3.73	-66.35
C=CCC(C(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028647688	0	48	0.0	-64.69	359.87	4.68	-60.01
CCN(C(=O)C12CCC([NH+](C)C)(CC1)CC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647701	0	58	0.0	-85.70	403.71	5.73	-79.97
CCN(C(=O)C1CC(C)(C)C[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647709	0	51	0.0	-64.98	381.17	4.73	-60.25
CCN(C(=O)C1CC(C)(C)C[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647709	1	51	0.0	-64.98	381.17	4.73	-60.25
CCN(C(=O)CCCCC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647714	0	53	0.0	-74.47	407.91	6.51	-67.96
CCN(C(=O)C[NH+]1CC2CC2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647726	0	46	0.0	-73.60	357.79	4.14	-69.46
CCN(C(=O)C1CCC1[N@@H+]1CCOC(C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647747	0	56	0.0	-71.18	420.20	4.38	-66.80
CCN(C(=O)C1C[N@@H+]2CCN1C(C)C2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647775	0	51	0.0	-80.47	371.10	0.92	-79.55
CCCC(C(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028647777	0	50	0.0	-65.60	368.13	4.96	-60.64
CCN(C(=O)C(C)(C)[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647783	0	47	0.0	-61.79	329.49	3.72	-58.07
CCN(C(=O)CSCC[NH+](CC)CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647832	0	54	0.0	-77.85	423.64	6.92	-70.93
CCN(C(=O)C1CCCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647844	0	48	0.0	-64.96	364.48	3.88	-61.08
CCN(C(=O)CC1=CC[N@H+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647906	0	49	0.0	-62.74	380.52	5.98	-56.76
CCN(C(=O)CC1=CC[N@@H+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647906	1	49	0.0	-70.09	380.40	4.64	-65.45
CCN(C(=O)CC1([NH+]2CCCC2)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647919	0	52	0.0	-71.06	387.58	4.97	-66.09
CCN(C(=O)C1(C[NH+]2CCCC2)CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647946	0	58	0.0	-74.71	408.16	5.52	-69.19
CCN(C(=O)C(C)(C)C1CCC[N@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647986	0	57	0.0	-71.28	396.71	4.38	-66.90
CCN(C(=O)C(C)(C)C1CCC[N@@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647986	1	57	0.0	-71.28	396.71	4.38	-66.90
CCN(C(=O)C1=CC=C(CN(C)C)O1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647991	0	48	0.0	-82.40	383.39	4.32	-78.08
CCN(C(=O)C1=CC=C(C[NH+](C)C)O1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647991	1	48	0.0	-82.40	383.39	4.32	-78.08
CCN(C(=O)C=CC[NH+]1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648018	0	49	0.0	-72.98	384.34	6.06	-66.92
CCN(C(=O)C1CC[NH+](C2CC2)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648050	0	52	0.0	-68.31	395.64	5.19	-63.12
CCN(C(=O)C1C[N@H+](C)CC1C(F)(F)F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648075	0	48	0.0	-78.20	386.54	3.91	-74.29
CCN(C(=O)C1C[N@@H+](C)CC1C(F)(F)F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648075	1	48	0.0	-78.20	386.54	3.91	-74.29
CCN(C(=O)CC[NH+]1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648081	0	48	0.0	-75.07	371.14	3.92	-71.15
CCN(C(=O)C1CC(=O)N(C2CN(C)C2)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648092	0	53	0.0	-76.49	410.20	3.03	-73.46
CCN(C(=O)C1CC(=O)N(C2C[NH+](C)C2)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648092	1	53	0.0	-76.49	410.20	3.03	-73.46
CCN(C(=O)C12CC(C1)C[N@@H+]2C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648154	0	46	0.0	-72.86	341.57	3.35	-69.51
CCN(C(=O)C1=C(C)N(CC[NH+](C)C)N=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648170	0	54	0.0	-80.64	413.67	5.07	-75.57
CCN(C(=O)C[N@@H+]1CC2CCC1C2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648173	0	49	0.0	-71.85	368.46	4.34	-67.51
CCN(C(=O)C[N@H+]1CC2CCC1C2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648173	1	49	0.0	-71.85	368.46	4.34	-67.51
CCN(C(=O)CC1CC[NH+](C(C)C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648190	0	57	0.0	-70.68	416.68	5.53	-65.15
CCN(C(=O)C=C1C[NH+]2CCC1CC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648245	0	50	0.0	-54.87	378.17	6.03	-48.84
CCN(C(=O)CN1CC2C=CC1C2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648258	0	47	0.0	-71.77	362.04	4.14	-67.63
CCN(C(=O)C[N@@H+]1CC2C=CC1C2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648258	1	47	0.0	-69.87	361.42	4.12	-65.75
CCN(C(=O)C[N@H+]1CC2C=CC1C2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648258	1	47	0.0	-69.87	361.42	4.12	-65.75
CCN(C(=O)C(C[NH+](C)C)C1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648301	0	54	0.0	-76.26	411.62	5.82	-70.44
CCN(C(=O)C(C)C[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648335	0	47	0.0	-75.14	353.90	3.24	-71.90
CCN(C(=O)CC1CCCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648447	0	51	0.0	-67.44	374.18	4.36	-63.08
CCN(C(=O)CC1CCCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648447	1	51	0.0	-67.44	374.18	4.36	-63.08
CCN(C(=O)C1=CC2=C(C)N=CN2C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648470	0	46	0.0	-77.61	371.83	6.27	-71.34
CCN(C(=O)C1=CC2=C(C)[NH+]=CN2C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648470	1	46	0.0	-77.61	371.83	6.27	-71.34
CCN(C(=O)CN1CCC1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648475	0	45	0.0	-72.24	354.14	3.23	-69.01
CCN(C(=O)C[N@@H+]1CCC1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648475	1	45	0.0	-72.08	353.83	3.34	-68.74
CCN(C(=O)C[N@H+]1CCC1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648475	1	45	0.0	-72.08	353.83	3.34	-68.74
CCN(C(=O)CC(O)C[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648480	0	48	0.0	-74.71	373.63	2.42	-72.29
CCN(C(=O)C1CN(C)CC(C)O1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648521	0	49	0.0	-71.52	376.32	4.13	-67.39
CCN(C(=O)C1C[N@H+](C)CC(C)O1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648521	1	49	0.0	-72.14	372.44	3.33	-68.81
CCN(C(=O)C1C[N@@H+](C)CC(C)O1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648521	1	49	0.0	-72.14	372.44	3.33	-68.81
CCN(C(=O)CC[NH+]1CCC(O)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648535	0	52	0.0	-71.18	396.14	2.67	-68.51
CCC[N@@H+]1CCCCC1C(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648538	0	54	0.0	-64.65	404.67	5.33	-59.32
CCC[N@H+]1CCCCC1C(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648538	1	54	0.0	-64.65	404.67	5.33	-59.32
CCN(C(=O)CCN1CC[NH+](CC)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648542	0	56	0.0	-76.14	418.75	2.94	-73.20
CCN(C(=O)CC[NH+]1CCN(CC)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648542	1	56	0.0	-76.14	418.75	2.94	-73.20
CCN(C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648545	0	55	0.0	-62.28	397.35	5.51	-56.77
CCN(C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648545	1	55	0.0	-62.28	397.35	5.51	-56.77
CCN(C(=O)C1CC[NH+](CC(C)C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648599	0	57	0.0	-71.01	422.54	5.84	-65.17
CCN(C(=O)CN1CCC([NH+](C)C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648632	0	56	0.0	-72.66	416.16	2.86	-69.80
CCN(C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648657	0	48	0.0	-70.36	373.78	4.08	-66.28
CCN(C(=O)C(C)CC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648667	0	50	0.0	-74.82	380.52	3.98	-70.84
CCN(C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648705	0	52	0.0	-68.50	392.90	1.65	-66.85
C#CCN1CCCCC1C(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648715	0	50	0.0	-76.72	375.73	5.42	-71.30
C#CC[N@H+]1CCCCC1C(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648715	1	50	0.0	-67.08	382.46	4.81	-62.27
C#CC[N@@H+]1CCCCC1C(=O)N(CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648715	1	50	0.0	-67.08	382.46	4.81	-62.27
CCN(C(=O)CN1CCN(C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648723	0	50	0.0	-73.00	381.83	1.66	-71.34
CCN(C(=O)CN1CC[NH+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648723	1	50	0.0	-73.00	381.83	1.66	-71.34
CCN(C(=O)CSC(N)=[NH2+])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648769	0	39	0.0	-73.45	329.58	0.50	-72.95
CCN(C(=O)CC1COCCN1CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648823	0	52	0.0	-71.67	386.16	3.89	-67.78
CCN(C(=O)CC1COCC[N@@H+]1CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648823	1	52	0.0	-77.34	390.26	4.02	-73.32
CCN(C(=O)CC1COCC[N@H+]1CC)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648823	1	52	0.0	-71.67	386.16	3.89	-67.78
CCN(C(=O)C1(CC[NH+](C)C)CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648845	0	57	0.0	-75.87	403.60	4.99	-70.88
CCN(C(=O)CC[NH+]1C(C)CCCC1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648847	0	57	0.0	-67.99	411.63	6.70	-61.29
CCN(C(=O)C1CCC([NH+](C)C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648850	0	54	0.0	-64.04	393.39	4.69	-59.35
CCN(C(=O)C1(CC[NH+](C)C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648851	0	51	0.0	-66.77	383.11	5.33	-61.44
CCN(C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648855	0	54	0.0	-67.09	392.47	4.76	-62.33
CCN(C(=O)CC1CC=CC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648856	0	49	0.0	-77.45	373.55	4.35	-73.10
CCN(C(=O)CC1CC=CC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648856	1	49	0.0	-77.08	370.90	4.32	-72.76
CCN(C(=O)[C@@H](C)OCC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648893	0	51	0.0	-67.66	390.44	4.82	-62.84
CCN(C(=O)C1CC2CCC(C1)[NH+]2C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648937	0	52	0.0	-68.41	367.64	4.80	-63.61
CCN(C(=O)C1(C2(O)CC[NH+](C)CC2)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028649065	0	56	0.0	-67.19	413.25	2.67	-64.52
CCN(C(=O)C1(CC[NH+]2CCCCC2)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028649094	0	58	0.0	-75.35	429.94	6.23	-69.12
CCN(C(=O)C(C)N1CCSCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028649120	0	49	0.0	-73.43	380.00	4.10	-69.33
CCN(C(=O)C(C)[NH+]1CCSCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028649120	1	49	0.0	-73.43	380.00	4.10	-69.33
CCN(C(=O)C1C[NH+](C2CCOCC2)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028649125	0	53	0.0	-80.44	404.40	3.08	-77.36
CCN(C(=O)C1([NH+]2CCCC2)CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028649127	0	52	0.0	-69.66	370.89	4.37	-65.29
CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028649139	0	45	0.0	-65.28	349.77	3.25	-62.03
CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028649139	1	45	0.0	-65.28	349.77	3.25	-62.03
CCN(C(=O)CC[N@@H+]1CCC(F)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028649149	0	48	0.0	-79.95	376.49	4.05	-75.90
CCN(C(=O)C1(C)CC(OC)C[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028649160	0	52	0.0	-69.52	379.33	1.58	-67.94
CCN(C(=O)CC[NH+]1CCCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028649174	0	54	0.0	-76.89	396.83	4.83	-72.06
CCN(C(=O)C1CC[N@H+](C)C1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028649188	0	48	0.0	-73.59	361.95	3.44	-70.15
CCN(C(=O)C1CC[N@@H+](C)C1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028649188	1	48	0.0	-73.59	361.95	3.44	-70.15
CCN(C(=O)CCC1CCCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028649191	0	54	0.0	-72.26	403.71	5.12	-67.14
CCN(C(=O)CCC1CCCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028649191	1	54	0.0	-72.26	403.71	5.12	-67.14
CCN(C(=O)C1CC[N@@H+]2CCOCC12)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028649236	0	50	0.0	-70.11	374.56	2.68	-67.43
CCN(C(=O)C1CC[N@H+]2CCOCC12)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028649236	1	50	0.0	-70.11	374.56	2.68	-67.43
CCN(C(=O)CC1COCCN1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028649268	0	49	0.0	-68.92	365.55	1.95	-66.97
CCN(C(=O)CC1COCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028649268	1	49	0.0	-80.14	370.31	2.09	-78.05
CCN(C(=O)CC1COCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028649268	1	49	0.0	-80.14	370.31	2.09	-78.05
CCN(C(=O)CCC1=NC(C)=C(C)N1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028649282	0	49	0.0	-64.93	391.28	4.87	-60.06
CCN(C(=O)CCC1=[NH+]C(C)=C(C)N1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028649282	1	49	0.0	-64.93	391.28	4.87	-60.06
CCN(C(=O)C1=CC=CC(CC[NH+](C)C)=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028649295	0	54	0.0	-79.02	416.77	7.48	-71.54
CCN(C(=O)C1CCN1CC1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028649300	0	52	0.0	-76.68	412.05	6.18	-70.50
CCN(C(=O)C1CC[N@@H+]1CC1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028649300	1	52	0.0	-77.78	408.97	6.06	-71.72
CCN(C(=O)C1CC[N@H+]1CC1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028649300	1	52	0.0	-77.78	408.97	6.06	-71.72
CCN(C(=O)C1CCC[N@H+](CC(C)C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028649304	0	57	0.0	-64.10	414.63	6.00	-58.10
CCN(C(=O)C1CCC[N@@H+](CC(C)C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028649304	1	57	0.0	-64.10	414.63	6.00	-58.10
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@@H+]2C)C1	REAL300028649463	0	45	0.0	-51.21	332.64	3.97	-47.24
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@H+]2C)C1	REAL300028649463	1	45	0.0	-51.21	332.64	3.97	-47.24
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CN(C)CCO2)C1	REAL300028649488	0	46	0.0	-77.78	348.68	2.67	-75.11
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@H+](C)CCO2)C1	REAL300028649488	1	46	0.0	-81.22	353.44	3.90	-77.32
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@@H+](C)CCO2)C1	REAL300028649488	1	46	0.0	-81.22	353.44	3.90	-77.32
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCCN2C=CN=C2C)C1	REAL300028649661	0	49	0.0	-62.99	389.23	6.46	-56.53
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCCN2C=C[NH+]=C2C)C1	REAL300028649661	1	49	0.0	-62.99	389.23	6.46	-56.53
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCCCN2CCOCC2)C1	REAL300028649665	0	55	0.0	-75.76	421.14	4.14	-71.62
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300028649665	1	55	0.0	-75.76	421.14	4.14	-71.62
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(C[NH+](C)C)C=C2)C1	REAL300028649671	0	51	0.0	-85.30	394.06	6.58	-78.72
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCN2CCOCC2)C1	REAL300028649672	0	49	0.0	-65.62	373.53	3.57	-62.05
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[NH+]2CCOCC2)C1	REAL300028649672	1	49	0.0	-65.62	373.53	3.57	-62.05
CCC[NH+](CCC)CCCC(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028649702	0	59	0.0	-71.44	444.65	6.73	-64.71
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C2=CC=CC=C2)[N@H+](C)CC)C1	REAL300028649703	0	54	0.0	-63.56	393.67	7.21	-56.35
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300028649724	0	49	0.0	-73.25	346.56	5.18	-68.07
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC3=CN=CN3C=C2)C1	REAL300028649744	0	43	0.0	-76.11	348.53	5.62	-70.49
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300028649744	1	43	0.0	-76.11	348.53	5.62	-70.49
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC([NH+](C)C)C2)C1	REAL300028649834	0	54	0.0	-65.76	389.65	6.58	-59.18
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CC[N@H+](C)C2)C1	REAL300028649841	0	48	0.0	-72.21	369.72	4.11	-68.10
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CC[N@@H+](C)C2)C1	REAL300028649841	1	48	0.0	-72.21	369.72	4.11	-68.10
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C[NH+]=CC=C2N(C)C)C1	REAL300028649855	0	47	0.0	-73.70	370.89	2.67	-71.03
CCC(C(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028649861	0	47	0.0	-68.96	355.49	3.56	-65.40
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)C1	REAL300028649871	1	46	0.0	-85.32	376.88	5.01	-80.31
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC3CC(C)C[N@@H+]3C2)C1	REAL300028649928	0	55	0.0	-61.91	401.67	5.73	-56.18
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC3CC(C)C[N@H+]3C2)C1	REAL300028649928	1	55	0.0	-59.93	400.43	7.25	-52.68
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCCC[NH+](C)C)C1	REAL300028649968	0	50	0.0	-70.63	383.63	5.68	-64.95
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C(C)C)[NH+](C)C)C1	REAL300028649995	0	50	0.0	-63.30	360.13	5.27	-58.03
CCC[N@H+](C)CCC(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028649997	0	50	0.0	-71.63	383.50	4.42	-67.21
CCC[N@@H+](C)CCC(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028649997	1	50	0.0	-71.54	384.47	4.51	-67.03
CCC[N@H+](C)CC(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028650004	0	47	0.0	-58.32	357.49	4.95	-53.37
CCC[N@@H+](C)CC(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028650004	1	47	0.0	-58.61	357.49	4.96	-53.65
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300028650037	0	49	0.0	-73.11	357.76	5.00	-68.11
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300028650037	1	49	0.0	-73.15	358.39	3.47	-69.68
CCCCCC[N@H+](C)CC(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028650093	0	56	0.0	-59.09	421.99	7.31	-51.78
CCCCCC[N@@H+](C)CC(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028650093	1	56	0.0	-69.06	425.86	6.29	-62.77
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C(C)C)[NH+](CC)CC)C1	REAL300028650105	0	56	0.0	-62.53	385.94	6.30	-56.23
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CCC(C)CC2)C1	REAL300028650153	0	51	0.0	-67.91	385.46	5.03	-62.88
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300028650187	1	46	0.0	-79.16	377.29	3.65	-75.51
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)COC2CC[NH+](C)CC2)C1	REAL300028650197	0	52	0.0	-77.18	402.74	4.69	-72.49
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300028650273	0	52	0.0	-67.45	388.92	5.13	-62.32
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300028650273	1	52	0.0	-63.26	385.95	6.31	-56.95
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C[NH+](C)C)CC2)C1	REAL300028650294	0	48	0.0	-63.91	373.69	4.24	-59.67
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC3=C[NH+]=C(C)N3C2)C1	REAL300028650295	1	50	0.0	-67.12	389.54	5.08	-62.04
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[NH+](C(C)C)CC2)C1	REAL300028650308	0	54	0.0	-70.23	399.21	5.16	-65.07
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[N@H+](C)CC)C1	REAL300028650348	0	47	0.0	-63.09	358.36	4.76	-58.33
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[N@@H+](C)CC)C1	REAL300028650348	1	47	0.0	-71.15	362.97	3.78	-67.37
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C1	REAL300028650391	0	54	0.0	-65.16	377.86	6.54	-58.62
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1	REAL300028650394	0	58	0.0	-65.46	424.12	7.43	-58.03
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1	REAL300028650394	1	58	0.0	-68.59	425.30	6.25	-62.34
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300028650412	0	49	0.0	-69.09	361.93	4.21	-64.88
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[NH+](C)CC2)C1	REAL300028650517	0	48	0.0	-72.94	364.90	3.97	-68.97
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1	REAL300028650540	0	50	0.0	-55.65	362.00	5.46	-50.19
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C1	REAL300028650648	0	55	0.0	-73.13	414.05	6.18	-66.95
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(F)C[NH+](CC)CC)C1	REAL300028650702	0	50	0.0	-56.50	378.64	5.39	-51.11
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(C[NH+](C)C)C=CS2)C1	REAL300028650703	0	48	0.0	-63.90	384.07	4.89	-59.01
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@H+](CC(C)C)C2)C1	REAL300028650753	0	54	0.0	-64.61	398.75	6.44	-58.17
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@@H+](CC(C)C)C2)C1	REAL300028650753	1	54	0.0	-67.42	404.59	6.98	-60.44
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2([NH+](C)C)CCC2)C1	REAL300028650757	0	48	0.0	-65.20	353.54	3.66	-61.54
CCC(C(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300028650799	0	53	0.0	-53.87	377.22	5.69	-48.18
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+]2CCCC2C)C1	REAL300028650832	0	48	0.0	-64.93	360.54	3.83	-61.10
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+]2CCCC2C)C1	REAL300028650832	1	48	0.0	-57.13	357.20	4.90	-52.23
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCN2C=C[NH+]=C2C(C)C)C1	REAL300028650945	1	52	0.0	-60.25	403.72	6.72	-53.53
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)[NH+]2CCCCCC2)C1	REAL300028650953	0	54	0.0	-64.13	392.79	4.96	-59.17
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC[N@@H+]2C(C)C)C1	REAL300028650956	0	54	0.0	-64.26	387.35	4.86	-59.40
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC[N@H+]2C(C)C)C1	REAL300028650956	1	54	0.0	-61.64	394.81	4.96	-56.68
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@@H+]2C(C)C)C1	REAL300028650992	0	51	0.0	-67.42	374.17	5.07	-62.35
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@H+]2C(C)C)C1	REAL300028650992	1	51	0.0	-64.67	380.99	4.63	-60.04
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@@H+]2C2CCOCC2)C1	REAL300028651001	0	56	0.0	-66.19	406.82	4.51	-61.68
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@H+]2C2CCOCC2)C1	REAL300028651001	1	56	0.0	-66.32	407.04	4.54	-61.78
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(CN2C=CC=N2)[NH+](C)C)C1	REAL300028651003	1	51	0.0	-55.41	384.56	4.78	-50.63
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CCC[N@@H+]2C(C)C)C1	REAL300028651010	0	54	0.0	-60.97	388.93	5.76	-55.21
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CCC[N@H+]2C(C)C)C1	REAL300028651010	1	54	0.0	-65.05	394.59	4.72	-60.33
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1	REAL300028651011	0	55	0.0	-64.81	403.19	5.98	-58.83
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@H+]2C2CCCC2)C1	REAL300028651011	1	55	0.0	-61.73	400.84	6.78	-54.95
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1	REAL300028651041	0	50	0.0	-70.74	368.17	4.24	-66.50
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+]2CCC(C)C2)C1	REAL300028651079	0	48	0.0	-67.12	367.23	4.13	-62.99
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+]2CCC(C)C2)C1	REAL300028651079	1	48	0.0	-58.52	364.63	5.28	-53.24
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(F)CC[N@@H+](C(C)(C)C)C2)C1	REAL300028651080	0	54	0.0	-63.18	402.78	4.74	-58.44
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(F)CC[N@H+](C(C)(C)C)C2)C1	REAL300028651080	1	54	0.0	-63.07	403.51	4.77	-58.30
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCN3C(=C[NH+]=C3C)C2)C1	REAL300028651082	1	50	0.0	-66.20	388.96	5.10	-61.10
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(CC[NH+](C)C)C=C2)C1	REAL300028651084	0	54	0.0	-87.62	416.56	7.42	-80.20
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1	REAL300028651086	0	51	0.0	-66.96	387.43	4.70	-62.26
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1	REAL300028651086	1	51	0.0	-66.83	386.74	4.68	-62.15
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+](C)CC(C)(C)C)C1	REAL300028651087	0	53	0.0	-58.87	387.97	6.10	-52.77
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C1	REAL300028651087	1	53	0.0	-67.44	389.91	4.96	-62.48
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+](C)CCC2=CC=CC=C2)C1	REAL300028651088	0	54	0.0	-61.87	417.40	7.98	-53.89
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+](C)CCC2=CC=CC=C2)C1	REAL300028651088	1	54	0.0	-71.66	421.28	6.97	-64.69
CC[C@@H](C(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028651100	0	47	0.0	-66.13	349.51	3.42	-62.71
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)COCC(C)[NH+]2CCCC2)C1	REAL300028651108	0	55	0.0	-62.11	416.84	6.36	-55.75
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C2=CC=CC=C2)C1	REAL300028651122	0	55	0.0	-68.81	423.60	6.71	-62.10
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C2=CC=CC=C2)C1	REAL300028651122	1	55	0.0	-80.32	421.14	7.71	-72.61
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCN(C)C2=CC=[NH+]C=C2)C1	REAL300028651295	0	50	0.0	-58.34	392.99	5.23	-53.11
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2C=C[NH+]=C2C)C1	REAL300028651437	1	43	0.0	-56.75	346.67	5.13	-51.62
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)C[NH+]2CCOCC2)C1	REAL300028651439	0	52	0.0	-64.26	387.26	4.05	-60.21
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC[NH+]2CCCCC2)C1	REAL300028651462	0	54	0.0	-65.22	403.77	6.80	-58.42
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NOC(C[NH+](C)C)=C2)C1	REAL300028651488	1	47	0.0	-78.80	378.86	3.55	-75.25
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(C)N3C=[NH+]C=C3C=C2)C1	REAL300028651490	0	46	0.0	-77.11	375.42	6.19	-70.92
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2C=C[NH+]=C2C(C)C)C1	REAL300028651554	1	49	0.0	-63.98	387.80	5.26	-58.72
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300028651619	0	52	0.0	-61.21	389.52	5.30	-55.91
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300028651619	1	52	0.0	-64.32	374.16	4.72	-59.60
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@H+](CC)CCO2)C1	REAL300028651668	1	49	0.0	-79.67	372.16	4.60	-75.07
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@@H+](CC)CCO2)C1	REAL300028651668	1	49	0.0	-62.51	367.84	3.33	-59.18
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300028651762	0	43	0.0	-72.25	348.28	5.60	-66.65
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2C=[NH+]C=C2C)C1	REAL300028651767	1	43	0.0	-64.31	346.70	5.89	-58.42
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN(CC[NH+](C)C)N=C2)C1	REAL300028651773	0	51	0.0	-79.35	402.29	3.71	-75.64
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NN(CC[NH+](C)C)C=C2)C1	REAL300028651790	0	51	0.0	-83.02	401.86	5.06	-77.96
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	REAL300028651798	0	48	0.0	-62.29	349.37	4.62	-57.67
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	REAL300028651798	1	48	0.0	-72.97	364.55	4.16	-68.81
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028651802	1	52	0.0	-59.32	404.21	6.77	-52.55
CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028651805	0	51	0.0	-69.95	377.86	4.10	-65.85
CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028651805	1	51	0.0	-72.71	381.58	4.47	-68.24
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2C(C)CCC2C)C1	REAL300028651837	0	51	0.0	-64.53	379.97	4.51	-60.02
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC[NH+]2CCCC2)C1	REAL300028651848	0	51	0.0	-65.29	388.09	6.10	-59.19
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC(C[NH+](C)C)=C2)C1	REAL300028651849	0	51	0.0	-76.82	396.47	5.56	-71.26
C#CC[NH+]1CCC(C(=O)N2CC(N(CC)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028651860	0	50	0.0	-67.67	379.20	6.26	-61.41
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[NH+]2CCCCC2)C1	REAL300028651862	0	51	0.0	-62.29	382.26	6.00	-56.29
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC=C2C[NH+](C)C)C1	REAL300028651867	0	51	0.0	-67.21	392.28	5.64	-61.57
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC[N@@H+]2CC)C1	REAL300028651879	0	51	0.0	-58.16	368.19	5.73	-52.43
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC[N@H+]2CC)C1	REAL300028651879	1	51	0.0	-66.30	370.33	4.28	-62.02
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C(C)C)[NH+]2CCCCC2)C1	REAL300028651880	0	57	0.0	-54.05	403.27	7.42	-46.63
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C2=CC=CC=C2)[NH+](C)C)C1	REAL300028651884	1	51	0.0	-64.93	376.15	6.57	-58.36
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2C=[NH+]C3=C2CCCC3)C1	REAL300028651894	1	50	0.0	-68.91	393.76	6.60	-62.31
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C1	REAL300028651943	0	57	0.0	-63.38	401.33	5.69	-57.69
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC=C2CC[NH+](C)C)C1	REAL300028651944	0	54	0.0	-66.22	410.97	6.38	-59.84
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[N@H+](C)C2CCCCC2)C1	REAL300028651951	0	57	0.0	-62.55	416.68	7.16	-55.39
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C1	REAL300028651951	1	57	0.0	-71.22	420.32	6.05	-65.17
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2([NH+](C)C)CCCC2)C1	REAL300028651955	0	54	0.0	-72.54	386.68	4.98	-67.56
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)C1	REAL300028651972	1	52	0.0	-80.16	397.74	4.30	-75.86
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NNC(C3CCC[N@H+]3C)=C2)C1	REAL300028651972	1	52	0.0	-77.29	399.69	3.14	-74.15
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+](C)C2CCC2)C1	REAL300028652247	0	48	0.0	-58.08	364.41	5.54	-52.54
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1	REAL300028652247	1	48	0.0	-65.35	368.24	4.52	-60.83
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)[NH+]2C(C)CCC2C)C1	REAL300028652289	0	54	0.0	-54.25	387.72	5.85	-48.40
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(C[NH+](CC)CC)O2)C1	REAL300028652306	0	54	0.0	-72.19	419.96	5.62	-66.57
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300028652311	0	54	0.0	-68.74	408.86	6.82	-61.92
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+](C)CC2=CC=CC=C2)C1	REAL300028652314	1	51	0.0	-61.62	394.91	7.14	-54.48
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)C1	REAL300028652314	1	51	0.0	-63.09	395.22	7.16	-55.93
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[NH+](C)CC2)C1	REAL300028652332	0	48	0.0	-72.94	364.90	3.97	-68.97
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1	REAL300028652418	0	45	0.0	-57.90	344.05	4.54	-53.36
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1	REAL300028652418	1	45	0.0	-64.84	341.01	2.97	-61.87
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028652441	1	47	0.0	-66.93	368.53	4.28	-62.65
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028652441	1	47	0.0	-66.83	374.66	4.82	-62.01
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC2CCC[N@@H+]2C)C1	REAL300028652453	0	51	0.0	-71.09	383.95	4.56	-66.53
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC2CCC[N@H+]2C)C1	REAL300028652453	1	51	0.0	-74.01	390.30	5.05	-68.96
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300028652470	0	52	0.0	-71.08	372.29	4.30	-66.78
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300028652478	0	52	0.0	-61.04	376.00	5.93	-55.11
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300028652478	1	52	0.0	-53.21	374.99	5.95	-47.26
CCC[N@@H+]1CCCC(C(=O)N2CC(N(CC)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028652596	0	54	0.0	-61.84	396.84	5.30	-56.54
CCC[N@H+]1CCCC(C(=O)N2CC(N(CC)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028652596	1	54	0.0	-69.27	401.05	5.26	-64.01
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300028652609	0	58	0.0	-64.94	411.10	7.82	-57.12
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300028652609	1	58	0.0	-64.16	412.63	6.13	-58.03
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@@H+](C(C)C)CCO2)C1	REAL300028652622	0	52	0.0	-71.95	391.62	3.97	-67.98
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@H+](C(C)C)CCO2)C1	REAL300028652622	1	52	0.0	-73.75	382.46	3.80	-69.95
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1	REAL300028652646	0	55	0.0	-66.74	390.79	4.77	-61.97
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300028652669	0	48	0.0	-57.73	348.35	4.73	-53.00
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC[N@H+]2C)C1	REAL300028652669	1	48	0.0	-65.87	351.60	3.72	-62.15
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@@H+]2CC(C)C)C1	REAL300028652707	0	54	0.0	-63.52	400.60	5.06	-58.46
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@H+]2CC(C)C)C1	REAL300028652707	1	54	0.0	-65.30	406.45	5.67	-59.63
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300028652730	0	52	0.0	-70.21	396.29	1.72	-68.49
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=C2CC3CCC(C2)[NH+]3C)C1	REAL300028652779	0	53	0.0	-66.72	392.54	6.52	-60.20
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@H+](C)C2C)C1	REAL300028652801	0	48	0.0	-71.43	363.98	3.87	-67.56
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@@H+](C)C2C)C1	REAL300028652801	1	48	0.0	-69.13	359.84	3.91	-65.22
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC2CCCC[N@@H+]2C)C1	REAL300028652805	0	54	0.0	-74.27	396.12	5.28	-68.99
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC2CCCC[N@H+]2C)C1	REAL300028652805	1	54	0.0	-70.53	396.84	5.29	-65.24
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC3=C(CCC3)[NH+]=C2N)C1	REAL300028652852	1	48	0.0	-61.99	374.66	3.29	-58.70
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@@H+]2C(C)(C)C)C1	REAL300028652950	0	51	0.0	-64.43	383.39	4.16	-60.27
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@H+]2C(C)(C)C)C1	REAL300028652950	1	51	0.0	-60.64	358.56	5.33	-55.31
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCN(C3=CC=[NH+]C=C3)C2)C1	REAL300028652972	0	51	0.0	-74.05	390.94	4.01	-70.04
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300028652978	0	44	0.0	-67.91	341.01	3.02	-64.89
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=NC(C[NH+](C)C)=C2)C1	REAL300028653001	1	50	0.0	-74.80	390.00	6.18	-68.62
C=CCC(C)(C(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028653007	0	51	0.0	-56.73	360.90	5.22	-51.51
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CSCC[NH+](CC)CC)C1	REAL300028653046	0	54	0.0	-74.30	424.68	5.81	-68.49
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(N)C3=CC=CC=C3[NH+]=C2)C1	REAL300028653047	1	47	0.0	-61.48	372.09	2.72	-58.76
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[NH+]2CCCC2)C1	REAL300028653052	0	48	0.0	-62.47	366.12	5.29	-57.18
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+](C)CCO)C1	REAL300028653062	1	45	0.0	-69.43	350.23	-0.03	-69.46
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+](C)CCO)C1	REAL300028653062	1	45	0.0	-58.25	346.12	0.98	-57.27
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300028653113	0	51	0.0	-79.51	369.86	1.72	-77.79
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300028653113	1	51	0.0	-79.64	370.79	1.87	-77.77
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)[NH+]2CCSCC2)C1	REAL300028653161	1	49	0.0	-69.03	374.60	4.21	-64.82
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2=CC[N@H+](C)CC2)C1	REAL300028653222	0	49	0.0	-68.00	377.71	5.88	-62.12
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2=CC[N@@H+](C)CC2)C1	REAL300028653222	1	49	0.0	-69.47	381.00	4.79	-64.68
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC(=O)N(C3C[NH+](C)C3)C2)C1	REAL300028653236	1	53	0.0	-72.91	407.21	2.98	-69.93
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(O)CC[S+](C)C)C1	REAL300028653244	0	47	0.0	-81.12	381.07	3.08	-78.04
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C)CC(O)C[N@@H+]2C)C1	REAL300028653278	0	49	0.0	-76.69	364.37	0.50	-76.19
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C)CC(O)C[N@H+]2C)C1	REAL300028653278	1	49	0.0	-77.44	363.39	0.31	-77.13
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CN(C)CC[N@H+](C)C2)C1	REAL300028653297	0	53	0.0	-63.74	386.98	3.49	-60.25
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)C1	REAL300028653297	1	53	0.0	-59.09	386.72	3.03	-56.06
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)[N@@H+]2CCCC(O)C2)C1	REAL300028653298	0	52	0.0	-64.05	393.08	1.33	-62.72
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)[N@H+]2CCCC(O)C2)C1	REAL300028653298	1	52	0.0	-67.57	392.84	1.46	-66.11
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(N)[NH+]=CC3=C2CCC3)C1	REAL300028653336	0	48	0.0	-61.86	377.25	5.36	-56.50
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2(O)CCC[N@H+](C)C2)C1	REAL300028653346	0	52	0.0	-64.05	389.78	3.93	-60.12
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2(O)CCC[N@@H+](C)C2)C1	REAL300028653346	1	52	0.0	-69.37	390.36	3.02	-66.35
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CC(C)C2)C1	REAL300028653353	1	45	0.0	-68.47	354.12	3.63	-64.84
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@H+](CC)C2)C1	REAL300028653362	0	51	0.0	-62.86	375.54	4.58	-58.28
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@@H+](CC)C2)C1	REAL300028653362	1	51	0.0	-68.60	385.81	4.73	-63.87
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2=CC=C[NH+]=C2N)C1	REAL300028653379	0	44	0.0	-56.41	349.72	3.49	-52.92
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300028653395	0	49	0.0	-64.00	367.26	5.27	-58.73
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300028653395	1	49	0.0	-63.22	371.61	4.33	-58.89
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC2[N@@H+]2CCOC(C)C2)C1	REAL300028653432	0	56	0.0	-60.25	418.58	4.43	-55.82
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC2[N@H+]2CCOC(C)C2)C1	REAL300028653432	1	56	0.0	-68.34	410.81	5.55	-62.79
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(C[NH+]3CCCC3)O2)C1	REAL300028653455	0	52	0.0	-74.41	410.65	5.42	-68.99
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300028653462	0	49	0.0	-69.87	379.64	5.85	-64.02
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300028653497	0	52	0.0	-69.96	389.71	5.18	-64.78
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+](C)CC)C1	REAL300028653560	0	44	0.0	-67.66	339.87	3.20	-64.46
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2CC3C=CC2C3)C1	REAL300028653645	0	47	0.0	-65.72	361.44	4.43	-61.29
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300028653645	1	47	0.0	-63.90	360.86	4.31	-59.59
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300028653645	1	47	0.0	-63.90	360.86	4.31	-59.59
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCNC2=CC=C(C)C=N2)C1	REAL300028653672	0	50	0.0	-66.83	401.74	3.96	-62.87
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCNC2=CC=C(C)C=[NH+]2)C1	REAL300028653672	1	50	0.0	-66.83	401.74	3.96	-62.87
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C[NH+]3CCCC3)CCCC2)C1	REAL300028653732	0	58	0.0	-73.32	406.84	7.58	-65.74
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300028653835	0	52	0.0	-64.54	373.71	4.67	-59.87
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CCC[N@H+]2CCCC3)C1	REAL300028653835	1	52	0.0	-64.54	373.71	4.67	-59.87
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300028653847	0	50	0.0	-63.35	366.47	4.36	-58.99
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300028653847	1	50	0.0	-62.83	366.36	4.47	-58.36
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)OCC[NH+](C)C)C1	REAL300028653863	0	51	0.0	-76.92	391.33	4.51	-72.41
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCOCC[NH+](C)C)C1	REAL300028653877	0	51	0.0	-71.59	395.09	4.35	-67.24
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+](C)CCOC)C1	REAL300028653879	1	48	0.0	-61.64	368.60	3.38	-58.26
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+](C)CCOC)C1	REAL300028653879	1	48	0.0	-57.43	369.17	3.39	-54.04
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[NH+](C3CCOC3)C2)C1	REAL300028653882	0	50	0.0	-71.84	385.04	4.45	-67.39
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC(C)[NH+](C)C)C1	REAL300028653888	0	50	0.0	-66.86	375.45	5.24	-61.62
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=C2CC[NH+](C)CC2)C1	REAL300028653919	0	49	0.0	-72.54	376.09	4.81	-67.73
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+](CC)C2CC2)C1	REAL300028653934	0	48	0.0	-56.00	364.51	5.57	-50.43
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+](CC)C2CC2)C1	REAL300028653934	1	48	0.0	-64.14	371.91	4.56	-59.58
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2([NH+](C)C)CCCSC2)C1	REAL300028653939	0	52	0.0	-70.95	380.53	4.87	-66.08
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@@H+]3CCN2C(C)C3)C1	REAL300028653955	0	51	0.0	-57.44	367.84	2.17	-55.27
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@H+]3CCN2C(C)C3)C1	REAL300028653955	1	51	0.0	-56.83	369.25	2.23	-54.60
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CC(C2)C[N@@H+]3C)C1	REAL300028653998	0	46	0.0	-65.45	352.05	3.48	-61.97
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CC(C2)C[N@H+]3C)C1	REAL300028653998	1	46	0.0	-66.38	350.38	3.74	-62.64
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=CC2=CC=C(N)[NH+]=C2C)C1	REAL300028654012	1	48	0.0	-70.70	387.59	3.21	-67.49
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(C)N(CC[NH+](C)C)N=C2)C1	REAL300028654019	0	54	0.0	-77.39	415.43	5.21	-72.18
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300028654022	0	49	0.0	-56.17	365.38	5.64	-50.53
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300028654022	1	49	0.0	-58.99	362.17	5.45	-53.54
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CC[NH+](C(C)C)CC2)C1	REAL300028654043	0	57	0.0	-66.50	415.79	7.12	-59.38
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)C[NH+](C)C)C1	REAL300028654060	0	47	0.0	-64.53	348.93	4.70	-59.83
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@H+](C)CC2C(F)(F)F)C1	REAL300028654079	0	48	0.0	-82.46	374.51	4.80	-77.66
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@@H+](C)CC2C(F)(F)F)C1	REAL300028654079	1	48	0.0	-66.50	368.74	5.18	-61.32
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2([NH+](C)C)CC2)C1	REAL300028654083	0	45	0.0	-67.01	348.52	3.23	-63.78
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H](C)[NH+](C)C)C1	REAL300028654117	0	44	0.0	-56.21	335.01	3.94	-52.27
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@@H+]2CC)C1	REAL300028654131	1	45	0.0	-60.77	350.60	4.54	-56.23
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@H+]2CC)C1	REAL300028654131	1	45	0.0	-59.20	339.91	4.18	-55.02
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@@H+](C(C)C)C2)C1	REAL300028654152	0	54	0.0	-68.43	398.49	5.04	-63.39
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@H+](C(C)C)C2)C1	REAL300028654152	1	54	0.0	-68.35	399.22	5.10	-63.25
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCN(C3=[NH+]C=CN3C)C2)C1	REAL300028654154	1	52	0.0	-64.21	398.90	6.00	-58.21
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)[NH2+]C(C)(C)CC)C1	REAL300028654183	0	53	0.0	-62.81	381.83	4.53	-58.28
C#CC[N@H+]1CCCCC1C(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028654248	1	50	0.0	-66.71	378.21	4.93	-61.78
C#CC[N@@H+]1CCCCC1C(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028654248	1	50	0.0	-61.23	388.95	5.21	-56.02
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(C)[NH+]=C2NC)C1	REAL300028654252	1	47	0.0	-63.24	370.60	3.16	-60.08
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C[NH+]=CC=C2N)C1	REAL300028654254	0	41	0.0	-68.19	329.09	0.53	-67.66
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(CC2=CC=CC=C2)[NH+](C)C)C1	REAL300028654260	0	54	0.0	-69.00	410.92	6.41	-62.59
CCCC(C(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028654271	0	50	0.0	-65.47	374.97	4.28	-61.19
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)[NH+](C)C)C1	REAL300028654281	0	47	0.0	-72.52	345.83	3.19	-69.33
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)CC[NH+](C)C)C1	REAL300028654312	0	50	0.0	-67.02	376.00	5.22	-61.80
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1	REAL300028654385	0	55	0.0	-71.85	390.70	5.07	-66.78
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1	REAL300028654385	1	55	0.0	-61.71	396.70	5.75	-55.96
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300028654426	0	50	0.0	-64.99	376.38	4.62	-60.37
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300028654426	1	50	0.0	-66.44	368.93	5.42	-61.02
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[N@H+](C)CCCCOC)C1	REAL300028654483	0	57	0.0	-75.60	438.68	4.28	-71.32
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[N@@H+](C)CCCCOC)C1	REAL300028654483	1	57	0.0	-67.22	435.03	5.38	-61.84
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CCC([NH+](C)C)(CC2)CC3)C1	REAL300028654489	0	58	0.0	-77.90	405.40	5.32	-72.58
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC(C)(C)C[N@@H+]2C)C1	REAL300028654498	0	51	0.0	-56.03	383.08	5.72	-50.31
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC(C)(C)C[N@H+]2C)C1	REAL300028654498	1	51	0.0	-57.04	383.98	5.65	-51.39
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCCCC[NH+](C)C)C1	REAL300028654504	0	53	0.0	-72.43	405.12	6.46	-65.97
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[NH+]2CCC(O)CC2)C1	REAL300028654510	0	52	0.0	-64.25	392.89	2.61	-61.64
CCC[N@@H+]1CCCCC1C(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028654516	0	54	0.0	-65.34	403.80	5.58	-59.76
CCC[N@H+]1CCCCC1C(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028654516	1	54	0.0	-64.64	391.17	5.11	-59.53
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCN2CC[NH+](CC)CC2)C1	REAL300028654526	0	56	0.0	-71.48	420.25	3.16	-68.32
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[NH+]2CCN(CC)CC2)C1	REAL300028654526	1	56	0.0	-63.64	416.87	4.22	-59.42
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2CC[NH+](C)CC2)C1	REAL300028654530	1	50	0.0	-72.97	381.84	2.03	-70.94
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[NH+](CC(C)C)CC2)C1	REAL300028654688	0	57	0.0	-72.58	421.71	6.10	-66.48
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@H+](C)CC(C)O2)C1	REAL300028654692	1	49	0.0	-73.81	371.61	3.60	-70.21
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@@H+](C)CC(C)O2)C1	REAL300028654692	1	49	0.0	-78.15	369.08	3.34	-74.81
CCC1CCC[N@H+](CC(=O)N2CC(N(CC)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028654738	0	54	0.0	-57.95	392.49	6.60	-51.35
CCC1CCC[N@@H+](CC(=O)N2CC(N(CC)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028654738	1	54	0.0	-67.69	395.85	5.52	-62.17
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(C[NH+](C)C)N2)C1	REAL300028654750	0	49	0.0	-77.08	385.36	3.69	-73.39
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300028654776	0	46	0.0	-67.38	357.87	4.41	-62.97
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2([NH+]3CCCC3)CC2)C1	REAL300028654801	0	52	0.0	-66.69	388.04	5.29	-61.40
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)[NH2+]C2(CO)CCCC2)C1	REAL300028654827	0	55	0.0	-66.66	406.27	0.66	-66.00
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300028654868	0	48	0.0	-57.73	348.35	4.73	-53.00
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC[N@H+]2C)C1	REAL300028654868	1	48	0.0	-65.87	351.60	3.72	-62.15
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@@H+]2CC2=CC=CC=C2)C1	REAL300028654877	1	52	0.0	-56.33	399.55	7.21	-49.12
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@H+]2CC2=CC=CC=C2)C1	REAL300028654877	1	52	0.0	-70.95	413.44	6.44	-64.51
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@H+](CC(C)C)C2)C1	REAL300028654884	0	57	0.0	-64.24	416.25	6.08	-58.16
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@@H+](CC(C)C)C2)C1	REAL300028654884	1	57	0.0	-63.54	408.72	7.63	-55.91
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2CCC([NH+](C)C)CC2)C1	REAL300028654970	0	56	0.0	-72.61	411.55	4.22	-68.39
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=C2CC[N@H+](C)C2)C1	REAL300028655063	0	46	0.0	-74.70	361.52	4.07	-70.63
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=C2CC[N@@H+](C)C2)C1	REAL300028655063	1	46	0.0	-75.46	361.54	4.07	-71.39
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300028655071	0	44	0.0	-66.77	353.98	2.82	-63.95
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2CC[NH+](CC)CC2)C1	REAL300028655149	0	53	0.0	-63.72	395.41	3.69	-60.03
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=C2C[NH+]3CCC2CC3)C1	REAL300028655154	0	50	0.0	-68.50	379.02	4.94	-63.56
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2([NH+](C)C)CCCC2)C1	REAL300028655214	0	51	0.0	-75.89	364.87	4.27	-71.62
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)C1	REAL300028655231	0	52	0.0	-57.11	389.52	2.75	-54.36
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)C1	REAL300028655231	1	52	0.0	-64.06	392.79	1.85	-62.21
CCC1C[NH+](CC(=O)N2CC(N(CC)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028655239	0	48	0.0	-69.19	375.48	4.40	-64.79
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[NH+](C3CCOCC3)C2)C1	REAL300028655243	0	53	0.0	-76.03	405.19	3.41	-72.62
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300028655246	0	52	0.0	-67.01	379.23	4.81	-62.20
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1	REAL300028655264	0	45	0.0	-65.84	337.29	3.99	-61.85
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1	REAL300028655264	1	45	0.0	-65.96	347.72	3.47	-62.49
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2COCC[N@@H+]2CC)C1	REAL300028655309	0	52	0.0	-68.80	381.91	3.89	-64.91
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(=O)NC3=C2CCC[NH2+]3)C1	REAL300028655318	0	49	0.0	-81.47	375.74	2.78	-78.69
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[NH+](C3CCCCC3)C2)C1	REAL300028655343	0	55	0.0	-57.08	404.41	6.88	-50.20
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CCC[N@@H+]2CC(OC)C3)C1	REAL300028655365	0	53	0.0	-69.85	391.46	2.99	-66.86
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CCC[N@H+]2CC(OC)C3)C1	REAL300028655365	1	53	0.0	-69.85	391.46	2.99	-66.86
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C3NC(N)=NC3=C2)C1	REAL300028655449	0	45	0.0	-75.91	360.00	4.42	-71.49
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C3NC(N)=[NH+]C3=C2)C1	REAL300028655449	1	45	0.0	-75.91	360.00	4.42	-71.49
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C1	REAL300028655512	0	48	0.0	-56.67	364.79	5.60	-51.07
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(CC[NH+](C)C)CCCC2)C1	REAL300028655528	0	57	0.0	-65.14	418.03	5.74	-59.40
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[NH+]2C(C)CCCC2C)C1	REAL300028655530	0	57	0.0	-60.00	408.53	6.56	-53.44
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC([NH+](C)C)CC2)C1	REAL300028655533	0	54	0.0	-62.65	392.58	4.98	-57.67
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(CC[NH+](C)C)CC2)C1	REAL300028655534	0	51	0.0	-85.18	387.01	6.36	-78.82
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C1	REAL300028655539	0	54	0.0	-62.53	391.92	5.00	-57.53
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CC=CC[N@@H+]2C)C1	REAL300028655540	0	49	0.0	-71.70	372.82	4.48	-67.22
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CC=CC[N@H+]2C)C1	REAL300028655540	1	49	0.0	-59.84	364.77	5.52	-54.32
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=CC2=C[NH+]=C(N)C(C)=C2)C1	REAL300028655620	1	48	0.0	-69.49	384.22	4.52	-64.97
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)COCC[NH+](C)C)C1	REAL300028655637	0	48	0.0	-69.60	378.59	3.65	-65.95
CCCCC[N@H+](C)CCC(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028655645	0	56	0.0	-64.53	422.86	7.09	-57.44
CCCCC[N@@H+](C)CCC(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028655645	1	56	0.0	-72.77	426.50	5.98	-66.79
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)C1	REAL300028655662	0	52	0.0	-70.45	396.79	5.51	-64.94
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2C=CSC2=[NH2+])C1	REAL300028655699	0	41	0.0	-65.85	349.21	2.71	-63.14
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H](C)OCC[NH+](C)C)C1	REAL300028655821	0	51	0.0	-67.14	393.89	4.15	-62.99
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C3(O)CC[NH+](C)CC3)CC2)C1	REAL300028655826	0	56	0.0	-90.00	405.51	4.18	-85.82
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[NH+]2CCCCCC2)C1	REAL300028655919	0	54	0.0	-65.55	392.26	6.19	-59.36
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CCCCC2)C1	REAL300028655925	0	48	0.0	-58.21	359.99	5.42	-52.79
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@H+](C)C2)C1	REAL300028655927	0	48	0.0	-70.53	361.92	3.85	-66.68
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@@H+](C)C2)C1	REAL300028655927	1	48	0.0	-63.38	358.59	4.13	-59.25
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300028655929	0	52	0.0	-70.21	396.29	1.72	-68.49
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CCCCCC2)C1	REAL300028655935	0	51	0.0	-55.98	369.34	5.61	-50.37
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N+]2=CN(C)C=C2)C1	REAL300028655942	0	43	0.0	-67.57	353.38	6.05	-61.52
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)C2CCC[N@H+](C)C2)C1	REAL300028655965	0	57	0.0	-74.67	405.70	5.22	-69.45
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)C2CCC[N@@H+](C)C2)C1	REAL300028655965	1	57	0.0	-72.34	390.14	5.82	-66.52
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(C[NH+](C)C)O2)C1	REAL300028655971	1	48	0.0	-75.20	384.21	4.20	-71.00
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(C[NH+](C)C)N=C2)C1	REAL300028655981	0	50	0.0	-78.01	392.25	4.11	-73.90
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300028656005	1	49	0.0	-72.01	375.70	1.07	-70.94
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+](C)C2CC2)C1	REAL300028656013	0	45	0.0	-65.60	351.33	3.88	-61.72
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+](C)C2CC2)C1	REAL300028656013	1	45	0.0	-56.12	347.54	4.95	-51.17
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)N2CC[NH+](C)CC2)C1	REAL300028656015	1	53	0.0	-71.35	392.64	2.23	-69.12
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[N@@H+]2CCC(F)C2)C1	REAL300028656023	0	48	0.0	-65.26	372.58	5.35	-59.91
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[N@H+]2CCC(F)C2)C1	REAL300028656023	1	48	0.0	-74.85	376.27	4.26	-70.59
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C)CC(OC)C[N@@H+]2C)C1	REAL300028656042	0	52	0.0	-75.80	385.94	2.83	-72.97
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C)CC(OC)C[N@H+]2C)C1	REAL300028656042	1	52	0.0	-63.37	387.69	2.36	-61.01
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC(CC[NH+](C)C)=C2)C1	REAL300028656065	0	54	0.0	-78.11	419.01	6.41	-71.70
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC(C)C[NH+](C)C)C1	REAL300028656072	0	50	0.0	-68.72	375.45	5.57	-63.15
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300028656099	0	50	0.0	-63.39	364.29	3.73	-59.66
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@H+]3CCOCC23)C1	REAL300028656099	1	50	0.0	-63.26	372.59	3.72	-59.54
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN3C(=C[NH+]=C3C)C=C2)C1	REAL300028656109	0	46	0.0	-68.23	370.10	5.32	-62.91
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2COCC[N@@H+]2C)C1	REAL300028656135	1	49	0.0	-74.74	372.34	2.26	-72.48
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2COCC[N@H+]2C)C1	REAL300028656135	1	49	0.0	-63.51	361.71	3.21	-60.30
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C[NH+](C)C)C2=CC=CC=C2)C1	REAL300028656147	0	54	0.0	-58.78	417.47	7.46	-51.32
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2CC[NH+](CC)CC2)C1	REAL300028656153	0	53	0.0	-63.72	395.41	3.69	-60.03
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C[NH+]=C(N)C=C2C)C1	REAL300028656236	1	44	0.0	-67.84	350.26	1.76	-66.08
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC2=CC=C(N)[NH+]=C2)C1	REAL300028656239	0	47	0.0	-63.57	377.28	4.05	-59.52
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(CC[NH+]3CCCCC3)CC2)C1	REAL300028656272	0	58	0.0	-82.33	429.10	8.24	-74.09
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+]2CCC(C)(O)C2)C1	REAL300028656314	0	49	0.0	-67.61	377.75	0.85	-66.76
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+]2CCC(C)(O)C2)C1	REAL300028656314	1	49	0.0	-59.27	374.55	1.94	-57.33
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=NN2CC[NH+](C)C)C1	REAL300028656325	0	51	0.0	-68.64	392.85	4.70	-63.94
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2C[NH+](C)C2)C1	REAL300028656368	0	45	0.0	-72.78	353.43	3.37	-69.41
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300028656374	0	52	0.0	-66.18	388.41	5.01	-61.17
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300028656374	1	52	0.0	-68.93	392.50	5.22	-63.71
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[N@H+](C)CCO)C1	REAL300028656434	0	48	0.0	-71.69	372.36	0.47	-71.22
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[N@@H+](C)CCO)C1	REAL300028656434	1	48	0.0	-71.11	373.09	0.56	-70.55
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300028656435	0	44	0.0	-67.91	341.01	3.02	-64.89
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CCCC[N@@H+]2C)C1	REAL300028656463	0	51	0.0	-48.48	368.88	5.59	-42.89
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CCCC[N@H+]2C)C1	REAL300028656463	1	51	0.0	-64.85	374.66	4.62	-60.23
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC3=C(C)[NH+]=CN3C=C2)C1	REAL300028656498	1	46	0.0	-73.74	370.08	6.11	-67.63
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)[NH+]2CC(C)C2)C1	REAL300028656499	0	48	0.0	-62.36	363.62	4.96	-57.40
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+]2CCC2C)C1	REAL300028656505	1	45	0.0	-59.62	349.89	4.64	-54.98
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+]2CCC2C)C1	REAL300028656505	1	45	0.0	-65.98	348.66	3.36	-62.62
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=CC[NH+](C)C)C1	REAL300028656526	0	45	0.0	-71.72	355.03	4.76	-66.96
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CC(C)(C)C2)C1	REAL300028656544	1	48	0.0	-59.25	368.84	5.17	-54.08
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCCC[NH+]2CCCCC2)C1	REAL300028656559	0	57	0.0	-68.45	424.80	7.55	-60.90
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC2=[NH+]C(C)=C(C)N2)C1	REAL300028656576	1	49	0.0	-59.02	388.50	4.85	-54.17
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC3=C(C[N@H+](C)CC3)S2)C1	REAL300028656577	1	49	0.0	-79.24	391.78	5.28	-73.96
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC3=C(C[N@@H+](C)CC3)S2)C1	REAL300028656577	1	49	0.0	-78.78	392.73	5.33	-73.45
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C3CC[NH+](C)CC3)CC2)C1	REAL300028656591	0	55	0.0	-63.18	411.08	5.89	-57.29
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC3=C(C)[NH+]=CN3C=C2)C1	REAL300028656602	1	46	0.0	-73.74	370.08	6.11	-67.63
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CSCC[NH+](C)C)C1	REAL300028656618	0	48	0.0	-76.51	389.77	4.50	-72.01
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C1	REAL300028656640	0	54	0.0	-64.85	418.16	6.58	-58.27
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C1	REAL300028656640	1	54	0.0	-56.71	410.67	7.51	-49.20
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC3=C(CCCC3)[NH+]=C2N)C1	REAL300028656644	1	51	0.0	-61.74	391.77	3.87	-57.87
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+]2CCCC2CO)C1	REAL300028656653	0	49	0.0	-65.62	368.37	1.01	-64.61
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+]2CCCC2CO)C1	REAL300028656653	1	49	0.0	-58.58	372.23	2.01	-56.57
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+](CC)CC)C1	REAL300028656656	0	47	0.0	-58.19	346.61	4.60	-53.59
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+](C)C2CCSC2)C1	REAL300028656673	0	49	0.0	-73.09	381.43	4.77	-68.32
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+](C)C2CCSC2)C1	REAL300028656673	1	49	0.0	-60.22	379.00	5.77	-54.45
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CCC2)C1	REAL300028656675	1	42	0.0	-60.33	328.86	4.05	-56.28
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[NH+](CC)CC)C1	REAL300028656743	0	50	0.0	-70.21	380.10	4.43	-65.78
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CCC(C(N)=O)CC2)C1	REAL300028656769	0	52	0.0	-78.40	400.52	1.09	-77.31
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(C[NH+](C)C)=CN2)C1	REAL300028656833	0	49	0.0	-76.16	381.33	4.77	-71.39
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)[NH+]2CCC(O)CC2)C1	REAL300028656859	0	52	0.0	-58.72	379.31	2.13	-56.59
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300028656868	0	50	0.0	-67.98	378.93	4.28	-63.70
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC3COCC[N@H+]3C2)C1	REAL300028656868	1	50	0.0	-65.59	376.95	3.84	-61.75
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)[NH+]2CCC2)C1	REAL300028656890	1	45	0.0	-63.72	344.59	3.18	-60.54
CCC(CC(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300028656904	0	53	0.0	-70.02	390.46	6.20	-63.82
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=CC2=CC=C(N)[NH+]=C2)C1	REAL300028656913	0	45	0.0	-70.50	366.49	3.79	-66.71
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)C[NH+](C)C)C1	REAL300028656914	0	50	0.0	-71.43	363.72	3.71	-67.72
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC(C2=CC=CC=C2)[NH+](C)C)C1	REAL300028656961	0	54	0.0	-72.89	412.54	6.59	-66.30
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1	REAL300028657004	0	48	0.0	-63.84	354.67	5.19	-58.65
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1	REAL300028657004	1	48	0.0	-65.87	351.60	3.72	-62.15
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@@H+]3CCN2CC3C)C1	REAL300028657022	0	51	0.0	-76.96	369.07	2.37	-74.59
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@H+]3CCN2CC3C)C1	REAL300028657022	1	51	0.0	-67.39	373.20	1.29	-66.10
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC(O)C[NH+](C)C)C1	REAL300028657058	0	48	0.0	-75.97	375.49	1.62	-74.35
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC3CCC(C2)[NH+]3C)C1	REAL300028657061	0	52	0.0	-72.41	357.55	5.76	-66.65
C#CC1(O)CC[NH+](C(C)C(=O)N2CC(N(CC)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028657103	0	54	0.0	-67.79	415.69	2.29	-65.50
C=CCC(C(=O)N1CC(N(CC)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028657118	0	48	0.0	-65.23	368.19	4.14	-61.09
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300028657134	0	52	0.0	-67.45	388.92	5.13	-62.32
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300028657134	1	52	0.0	-63.26	385.95	6.31	-56.95
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C)CC[NH+](C)CC2)C1	REAL300028657152	0	51	0.0	-77.57	369.38	5.73	-71.84
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2(O)CC[NH+](C)CC2)C1	REAL300028657158	0	52	0.0	-64.95	388.35	3.83	-61.12
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CCC[N@@H+]2CCOC)C1	REAL300028657177	0	55	0.0	-59.42	410.44	5.12	-54.30
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CCC[N@H+]2CCOC)C1	REAL300028657177	1	55	0.0	-70.49	411.45	3.84	-66.65
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CC3CCC(C2)[NH+]3C)C1	REAL300028657193	0	55	0.0	-76.70	383.78	6.00	-70.70
CCN(C(=O)C1=CC=NN1CC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028657238	0	51	0.0	-54.76	389.73	4.57	-50.19
CCN(C(=O)C1=CC2=C(C[N@H+](C)CC2)S1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028657280	1	49	0.0	-83.09	390.24	5.05	-78.04
CCN(C(=O)C1=CC2=C(C[N@@H+](C)CC2)S1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028657280	1	49	0.0	-91.39	387.25	6.03	-85.36
CCN(C(=O)C1(C2CC[NH+](C)CC2)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028657292	0	55	0.0	-79.60	405.43	6.07	-73.53
CCN(C(=O)C1=CC2=C(C)[NH+]=CN2C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028657305	1	46	0.0	-77.61	371.83	6.27	-71.34
CCN(C(=O)CSCC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028657320	0	48	0.0	-80.30	387.95	5.54	-74.76
CCN(C(=O)C1CC2COCC[N@@H+]2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028657332	0	50	0.0	-68.23	382.40	2.67	-65.56
CCN(C(=O)C1CC2COCC[N@H+]2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028657332	1	50	0.0	-76.07	377.15	2.45	-73.62
C[N@@H+]1CCCC1C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028657498	0	55	0.0	-73.09	385.32	4.74	-68.35
C[N@H+]1CCCC1C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028657498	1	55	0.0	-73.13	385.13	4.65	-68.48
C[N@@H+]1CCOC(C(=O)N2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028657522	1	56	0.0	-83.16	400.10	4.35	-78.81
C[N@H+]1CCOC(C(=O)N2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028657522	1	56	0.0	-85.61	401.01	4.48	-81.13
CC1=[NH+]C=CN1CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028657662	1	53	0.0	-69.66	395.46	5.80	-63.86
C[C@@H]1[C@H](C(=O)N2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC[N@@H+]1C	REAL300028657687	0	58	0.0	-76.87	399.50	5.32	-71.55
C[C@@H]1[C@H](C(=O)N2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC[N@H+]1C	REAL300028657687	1	58	0.0	-76.07	405.30	5.64	-70.43
C[NH+](C)C1(C(=O)N2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCC1	REAL300028657716	0	58	0.0	-75.73	391.85	4.98	-70.75
CC(C)[C@@H](C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300028657718	0	60	0.0	-72.50	409.63	5.78	-66.72
C[N@H+](CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CCC1	REAL300028657732	0	58	0.0	-71.36	413.24	6.20	-65.16
C[N@@H+](CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CCC1	REAL300028657732	1	58	0.0	-71.60	413.20	6.19	-65.41
C[NH+]1CCC(C(=O)N2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300028657765	0	58	0.0	-78.59	410.83	5.67	-72.92
C[N@@H+]1CCCCC1C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028657776	0	58	0.0	-71.12	396.40	5.32	-65.80
C[N@H+]1CCCCC1C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028657776	1	58	0.0	-68.87	407.65	5.80	-63.07
CC1=C[NH+]=CN1CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028657802	1	53	0.0	-73.09	396.82	6.57	-66.52
C[N@@H+]1CCC(CC(=O)N2CCC3(CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028657812	0	58	0.0	-76.82	413.62	5.88	-70.94
C[N@H+]1CCC(CC(=O)N2CCC3(CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028657812	1	58	0.0	-75.19	413.50	5.89	-69.30
CCC(C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300028657815	0	57	0.0	-72.11	396.39	5.07	-67.04
C[NH+](C)CCCCC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028657834	0	60	0.0	-76.03	432.53	6.42	-69.61
CC(C)C(C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300028657839	0	60	0.0	-71.18	407.83	5.50	-65.68
CCC[N@H+](C)CCC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028657840	0	60	0.0	-75.83	428.67	6.24	-69.59
CCC[N@@H+](C)CCC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028657840	1	60	0.0	-75.72	428.67	6.23	-69.49
CCC[N@H+](C)CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028657841	0	57	0.0	-73.48	406.30	5.64	-67.84
CCC[N@@H+](C)CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028657841	1	57	0.0	-73.48	406.30	5.64	-67.84
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028657859	0	55	0.0	-73.28	385.60	4.63	-68.65
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028657859	1	55	0.0	-71.01	388.27	4.87	-66.14
CC[NH+](CC)CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028657874	0	57	0.0	-71.83	397.62	5.18	-66.65
C[NH+](C)CC1(C(=O)N2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300028657932	0	58	0.0	-73.13	416.26	5.82	-67.31
C[NH+]1CCC(C(=O)N2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300028657959	0	58	0.0	-78.59	410.83	5.67	-72.92
CC(C)[C@H](C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300028657974	0	60	0.0	-72.74	412.36	5.87	-66.87
CC[N@H+](C)CCC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028658013	0	57	0.0	-75.07	407.17	5.49	-69.58
CC[N@@H+](C)CCC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028658013	1	57	0.0	-74.94	407.16	5.49	-69.45
CC1CCC[N@@H+]1CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028658026	0	58	0.0	-70.42	412.04	5.90	-64.52
CC1CCC[N@H+]1CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028658026	1	58	0.0	-71.31	405.75	5.62	-65.69
CC1CC[N@H+](CC(=O)N2CCC3(CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028658027	0	58	0.0	-74.13	412.43	5.99	-68.14
CC1CC[N@@H+](CC(=O)N2CCC3(CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028658027	1	58	0.0	-74.10	412.82	5.96	-68.14
CC[C@@H](C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300028658030	0	57	0.0	-71.91	395.30	5.23	-66.68
C[NH+](C)CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028658072	0	51	0.0	-75.01	367.12	4.23	-70.78
CN1C=C[N+](CC(=O)N2CCC3(CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)=C1	REAL300028658073	0	53	0.0	-70.69	398.31	7.73	-62.96
C[N@@H+]1CCCC(C(=O)N2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028658076	0	58	0.0	-67.12	401.47	5.73	-61.39
C[N@H+]1CCCC(C(=O)N2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028658076	1	58	0.0	-66.48	401.45	5.66	-60.82
CC(C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+]1CCC1	REAL300028658086	0	55	0.0	-71.44	391.95	5.06	-66.38
C[NH+](C)CC(C)(C)C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028658090	0	60	0.0	-74.58	404.54	5.19	-69.39
C[N@H+](CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300028658097	0	55	0.0	-70.89	396.49	5.62	-65.27
C[N@@H+](CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300028658097	1	55	0.0	-72.05	396.54	5.64	-66.41
C[NH+]1CC(CC(=O)N2CCC3(CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028658109	0	55	0.0	-75.16	398.55	5.10	-70.06
C[C@@H](C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300028658122	0	54	0.0	-72.42	384.53	4.58	-67.84
C[N@H+](CCO)CCC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028658164	0	58	0.0	-74.46	417.52	2.28	-72.18
C[N@@H+](CCO)CCC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028658164	1	58	0.0	-74.62	417.50	2.24	-72.38
C[C@@H](C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300028658165	0	54	0.0	-72.42	384.53	4.58	-67.84
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028658168	0	58	0.0	-74.39	399.10	5.42	-68.97
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028658168	1	58	0.0	-69.62	406.99	5.68	-63.94
O=C(C[NH+]1CCC1)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028658196	1	52	0.0	-73.40	377.22	4.65	-68.75
C[N@@H+]1CCC(=CC(=O)N2CCC3(CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028658206	0	56	0.0	-76.35	404.59	5.66	-70.69
C[N@H+]1CCC(=CC(=O)N2CCC3(CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028658206	1	56	0.0	-76.54	403.71	5.71	-70.83
C[NH+](C)CCOCC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028658217	0	58	0.0	-72.67	422.94	5.35	-67.32
C[C@H](C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300028658228	0	54	0.0	-71.65	383.52	4.51	-67.14
CC1C[NH+](CC(=O)N2CCC3(CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028658246	1	55	0.0	-73.53	398.37	5.33	-68.20
C[N@H+](CCO)CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028658259	1	55	0.0	-74.32	395.16	1.66	-72.66
C[N@@H+](CCO)CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028658259	1	55	0.0	-73.86	394.82	1.54	-72.32
CC(CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C[NH+](C)C	REAL300028658271	0	60	0.0	-79.17	423.57	6.18	-72.99
CC[N@H+](C)CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028658273	0	54	0.0	-73.07	384.80	4.90	-68.17
CC[N@@H+](C)CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028658273	1	54	0.0	-73.12	384.80	4.88	-68.24
CC[N@H+](CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300028658286	0	58	0.0	-69.47	415.99	6.24	-63.23
CC[N@@H+](CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300028658286	1	58	0.0	-70.56	412.59	6.13	-64.43
CC[NH+](CC)CCC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028658293	0	60	0.0	-75.15	425.05	6.19	-68.96
CC1(C)C[NH+](CC(=O)N2CCC3(CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028658301	1	58	0.0	-73.63	417.73	5.84	-67.79
C[NH+](C)CC=CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028658309	0	55	0.0	-77.91	401.64	5.32	-72.59
COCC[N@H+](C)CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028658318	1	58	0.0	-73.67	416.89	3.92	-69.75
COCC[N@@H+](C)CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028658318	1	58	0.0	-74.46	417.40	4.05	-70.41
CC(CCC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300028658330	0	60	0.0	-74.00	424.64	6.02	-67.98
CC[N@@H+]1CCC1C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028658336	0	55	0.0	-71.03	390.91	4.91	-66.12
CC[N@H+]1CCC1C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028658336	1	55	0.0	-71.98	390.26	4.84	-67.14
C=CCC(C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300028658364	0	58	0.0	-70.17	409.08	5.55	-64.62
O=C(C[NH+]1CC2CC2C1)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028658372	0	56	0.0	-73.06	402.06	6.06	-67.00
CCCC(C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300028658381	0	60	0.0	-71.40	418.62	5.99	-65.41
C[NH+](C)C(C)(C)C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028658383	0	57	0.0	-74.29	388.23	4.52	-69.77
C[N@@H+]1CCCCC1C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028658395	0	58	0.0	-71.12	396.40	5.32	-65.80
C[N@H+]1CCCCC1C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028658395	1	58	0.0	-68.87	407.65	5.80	-63.07
C[NH+](C)C1(C(=O)N2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300028658437	0	55	0.0	-75.94	386.17	4.66	-71.28
O=C(CC[NH+]1CCCC1)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028658438	0	58	0.0	-74.40	415.39	6.00	-68.40
C[N@@H+]1CC2CC1(C(=O)N1CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC1)C2	REAL300028658451	0	56	0.0	-75.22	394.08	5.34	-69.88
C[N@H+]1CC2CC1(C(=O)N1CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC1)C2	REAL300028658451	1	56	0.0	-74.59	394.22	5.33	-69.26
CC(C[NH+](C)C)C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028658489	0	57	0.0	-70.61	401.31	5.22	-65.39
CC(C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+]1CC(C)C1	REAL300028658514	0	58	0.0	-72.14	405.67	5.52	-66.62
CC1CC[N@@H+]1CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028658515	0	55	0.0	-71.40	392.82	5.04	-66.36
CC1CC[N@H+]1CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028658515	1	55	0.0	-71.76	398.07	5.15	-66.61
C[NH+](C)CC(O)CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028658517	0	58	0.0	-78.36	419.56	3.25	-75.11
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028658552	0	58	0.0	-75.55	416.09	5.86	-69.69
CC(CC[NH+](C)C)C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028658554	0	60	0.0	-81.72	426.54	5.98	-75.74
NC(=[NH2+])SCC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028658578	0	49	0.0	-75.08	375.59	1.19	-73.89
CCC1C[NH+](CC(=O)N2CCC3(CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028658646	0	58	0.0	-74.67	419.52	6.03	-68.64
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028658650	0	55	0.0	-71.27	388.64	4.86	-66.41
C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028658650	1	55	0.0	-73.86	385.50	4.61	-69.25
O=C(C[NH+]1CCCCC1)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028658659	0	58	0.0	-74.11	408.84	6.10	-68.01
CC1C(C(=O)N2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC[N@@H+]1C	REAL300028658663	0	58	0.0	-74.47	406.73	5.39	-69.08
CC1C(C(=O)N2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC[N@H+]1C	REAL300028658663	1	58	0.0	-73.56	408.89	5.45	-68.11
C[N@@H+]1CCCC1C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028658845	0	55	0.0	-73.09	385.32	4.74	-68.35
C[N@H+]1CCCC1C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028658845	1	55	0.0	-73.13	385.13	4.65	-68.48
C[N@@H+]1CCOC(C(=O)N2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028658871	1	56	0.0	-83.16	400.10	4.35	-78.81
C[N@H+]1CCOC(C(=O)N2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028658871	1	56	0.0	-85.61	401.01	4.48	-81.13
C[N@@H+]1CCC(CC(=O)N2CCC3(CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028659023	0	58	0.0	-76.82	413.62	5.88	-70.94
C[N@H+]1CCC(CC(=O)N2CCC3(CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028659023	1	58	0.0	-75.19	413.50	5.89	-69.30
CCC(C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300028659026	0	57	0.0	-72.11	396.39	5.07	-67.04
C[NH+](C)CCCCC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028659041	0	60	0.0	-76.03	432.53	6.42	-69.61
CC(C)C(C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300028659047	0	60	0.0	-71.18	407.83	5.50	-65.68
CCC[N@H+](C)CCC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028659048	0	60	0.0	-75.83	428.67	6.24	-69.59
CCC[N@@H+](C)CCC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028659048	1	60	0.0	-75.72	428.67	6.23	-69.49
CCC[N@H+](C)CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028659049	0	57	0.0	-73.48	406.30	5.64	-67.84
CCC[N@@H+](C)CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028659049	1	57	0.0	-73.48	406.30	5.64	-67.84
C[NH+](C)CC1(C(=O)N2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300028659094	0	58	0.0	-73.13	416.26	5.82	-67.31
CC[N@H+](C)CCC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028659102	0	57	0.0	-75.07	407.17	5.49	-69.58
CC[N@@H+](C)CCC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028659102	1	57	0.0	-74.94	407.16	5.49	-69.45
C[NH+]1CCC(C(=O)N2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300028659131	0	58	0.0	-78.59	410.83	5.67	-72.92
CC(C)[C@H](C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300028659146	0	60	0.0	-72.74	412.36	5.87	-66.87
C[NH+](C)C1(C(=O)N2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCC1	REAL300028659183	0	58	0.0	-75.73	391.85	4.98	-70.75
CC1CCC[N@@H+]1CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028659209	0	58	0.0	-70.42	412.04	5.90	-64.52
CC1CCC[N@H+]1CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028659209	1	58	0.0	-71.31	405.75	5.62	-65.69
CC(C)[C@@H](C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300028659223	0	60	0.0	-72.50	409.63	5.78	-66.72
CC1CC[N@H+](CC(=O)N2CCC3(CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028659231	0	58	0.0	-74.13	412.43	5.99	-68.14
CC1CC[N@@H+](CC(=O)N2CCC3(CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028659231	1	58	0.0	-74.10	412.82	5.96	-68.14
CC[C@@H](C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300028659234	0	57	0.0	-71.91	395.30	5.23	-66.68
CC1=[NH+]C=CN1CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028659278	1	53	0.0	-69.66	395.46	5.80	-63.86
CC1=C[NH+]=CN1CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028659306	1	53	0.0	-73.09	396.82	6.57	-66.52
C[C@@H]1[C@H](C(=O)N2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC[N@@H+]1C	REAL300028659308	0	58	0.0	-76.87	399.50	5.32	-71.55
C[C@@H]1[C@H](C(=O)N2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC[N@H+]1C	REAL300028659308	1	58	0.0	-76.07	405.30	5.64	-70.43
C[N@H+](CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CCC1	REAL300028659350	0	58	0.0	-71.36	413.24	6.20	-65.16
C[N@@H+](CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CCC1	REAL300028659350	1	58	0.0	-71.60	413.20	6.19	-65.41
C[NH+]1CCC(C(=O)N2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300028659359	0	58	0.0	-78.59	410.83	5.67	-72.92
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028659373	0	55	0.0	-73.28	385.60	4.63	-68.65
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028659373	1	55	0.0	-71.01	388.27	4.87	-66.14
C[N@@H+]1CCCCC1C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028659422	0	58	0.0	-71.12	396.40	5.32	-65.80
C[N@H+]1CCCCC1C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028659422	1	58	0.0	-68.87	407.65	5.80	-63.07
CC1C(C(=O)N2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC[N@@H+]1C	REAL300028659458	0	58	0.0	-74.47	406.73	5.39	-69.08
CC1C(C(=O)N2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC[N@H+]1C	REAL300028659458	1	58	0.0	-73.56	408.89	5.45	-68.11
C[C@@H](C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300028659503	0	54	0.0	-72.42	384.53	4.58	-67.84
O=C(CC[NH+]1CCCC1)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028659522	0	58	0.0	-74.40	415.39	6.00	-68.40
C[N@H+](CCO)CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028659527	1	55	0.0	-74.32	395.16	1.66	-72.66
C[N@@H+](CCO)CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028659527	1	55	0.0	-73.86	394.82	1.54	-72.32
CC1C[NH+](CC(=O)N2CCC3(CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028659585	1	55	0.0	-73.53	398.37	5.33	-68.20
NC1=[NH+]C=CC=C1CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028659591	0	54	0.0	-69.06	401.30	4.07	-64.99
CC[N@H+](C)CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028659627	0	54	0.0	-73.07	384.80	4.90	-68.17
CC[N@@H+](C)CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028659627	1	54	0.0	-73.12	384.80	4.88	-68.24
COCC[N@H+](C)CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028659688	1	58	0.0	-73.67	416.89	3.92	-69.75
COCC[N@@H+](C)CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028659688	1	58	0.0	-74.46	417.40	4.05	-70.41
CC(CCC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300028659690	0	60	0.0	-74.00	424.64	6.02	-67.98
CC[N@H+](CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300028659696	0	58	0.0	-69.47	415.99	6.24	-63.23
CC[N@@H+](CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300028659696	1	58	0.0	-70.56	412.59	6.13	-64.43
C[N@@H+]1CC2CC1(C(=O)N1CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC1)C2	REAL300028659711	0	56	0.0	-75.22	394.08	5.34	-69.88
C[N@H+]1CC2CC1(C(=O)N1CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC1)C2	REAL300028659711	1	56	0.0	-74.59	394.22	5.33	-69.26
CC(C[NH+](C)C)C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028659722	0	57	0.0	-70.61	401.31	5.22	-65.39
C[NH+](C)C1(C(=O)N2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300028659728	0	55	0.0	-75.94	386.17	4.66	-71.28
C[C@H](C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300028659741	0	54	0.0	-71.65	383.52	4.51	-67.14
CC[N@@H+]1CCC1C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028659744	0	55	0.0	-71.03	390.91	4.91	-66.12
CC[N@H+]1CCC1C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028659744	1	55	0.0	-71.98	390.26	4.84	-67.14
NC1=CC=[NH+]C=C1C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028659766	0	51	0.0	-73.03	376.02	2.21	-70.82
CCCC(C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300028659771	0	60	0.0	-71.40	418.62	5.99	-65.41
C[NH+](C)C(C)(C)C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028659774	0	57	0.0	-74.29	388.23	4.52	-69.77
CC(CC[NH+](C)C)C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028659785	0	60	0.0	-81.72	426.54	5.98	-75.74
O=C(C[NH+]1CC2CC2C1)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028659860	0	56	0.0	-73.06	402.06	6.06	-67.00
C[N@@H+]1CCCCC1C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028659872	0	58	0.0	-71.12	396.40	5.32	-65.80
C[N@H+]1CCCCC1C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028659872	1	58	0.0	-68.87	407.65	5.80	-63.07
C[N@@H+]1CCC(=CC(=O)N2CCC3(CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028659903	0	56	0.0	-76.35	404.59	5.66	-70.69
C[N@H+]1CCC(=CC(=O)N2CCC3(CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028659903	1	56	0.0	-76.54	403.71	5.71	-70.83
O=C(CNC1=CC=[NH+]C=C1)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028659904	0	54	0.0	-73.99	402.83	3.50	-70.49
CCC1C[NH+](CC(=O)N2CCC3(CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028659933	0	58	0.0	-74.67	419.52	6.03	-68.64
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028659938	0	55	0.0	-71.27	388.64	4.86	-66.41
C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028659938	1	55	0.0	-73.86	385.50	4.61	-69.25
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028659988	0	58	0.0	-75.55	416.09	5.86	-69.69
C[NH+](C)CCOCC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028660008	0	58	0.0	-72.67	422.94	5.35	-67.32
O=C(C[NH+]1CCCCC1)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028660052	0	58	0.0	-74.11	408.84	6.10	-68.01
C[N@@H+]1CCCC(C(=O)N2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028660053	0	58	0.0	-67.12	401.47	5.73	-61.39
C[N@H+]1CCCC(C(=O)N2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028660053	1	58	0.0	-66.48	401.45	5.66	-60.82
CN1C=C[N+](CC(=O)N2CCC3(CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)=C1	REAL300028660054	0	53	0.0	-70.69	398.31	7.73	-62.96
C[N@H+](CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300028660065	0	55	0.0	-70.89	396.49	5.62	-65.27
C[N@@H+](CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300028660065	1	55	0.0	-72.05	396.54	5.64	-66.41
CC(CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C[NH+](C)C	REAL300028660076	0	60	0.0	-79.17	423.57	6.18	-72.99
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028660109	1	54	0.0	-72.72	396.61	3.47	-69.25
C[NH+]1CC(CC(=O)N2CCC3(CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028660136	0	55	0.0	-75.16	398.55	5.10	-70.06
C[NH+](C)CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028660143	0	51	0.0	-75.01	367.12	4.23	-70.78
C[N@H+](CCO)CCC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028660153	0	58	0.0	-74.46	417.52	2.28	-72.18
C[N@@H+](CCO)CCC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028660153	1	58	0.0	-74.62	417.50	2.24	-72.38
C[C@@H](C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300028660154	0	54	0.0	-72.42	384.53	4.58	-67.84
CC(C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+]1CC(C)C1	REAL300028660168	0	58	0.0	-72.14	405.67	5.52	-66.62
CC1CC[N@@H+]1CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028660169	0	55	0.0	-71.40	392.82	5.04	-66.36
CC1CC[N@H+]1CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028660169	1	55	0.0	-71.76	398.07	5.15	-66.61
C[NH+](C)CC=CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028660172	0	55	0.0	-77.91	401.64	5.32	-72.59
CC1(C)C[NH+](CC(=O)N2CCC3(CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028660176	1	58	0.0	-73.63	417.73	5.84	-67.79
CC[NH+](CC)CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028660194	0	57	0.0	-71.83	397.62	5.18	-66.65
O=C(C[NH+]1CCC1)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028660200	1	52	0.0	-73.40	377.22	4.65	-68.75
CC[NH+](CC)CCC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028660221	0	60	0.0	-75.15	425.05	6.19	-68.96
CC(C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+]1CCC1	REAL300028660256	0	55	0.0	-71.44	391.95	5.06	-66.38
C[NH+](C)CC(C)(C)C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028660261	0	60	0.0	-74.58	404.54	5.19	-69.39
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028660282	0	58	0.0	-74.39	399.10	5.42	-68.97
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028660282	1	58	0.0	-69.62	406.99	5.68	-63.94
C[NH+](C)CC(O)CC(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028660293	0	58	0.0	-78.36	419.56	3.25	-75.11
C=CCC(C(=O)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300028660307	0	58	0.0	-70.17	409.08	5.55	-64.62
CCN(CC1CCN(C(=O)C2CCC[N@@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028660512	0	54	0.0	-68.76	402.17	5.88	-62.88
CCN(CC1CCN(C(=O)C2CCC[N@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028660512	1	54	0.0	-61.20	393.86	5.31	-55.89
CCN(CC1CCN(C(=O)C2C[N@H+](C)CCO2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028660536	1	55	0.0	-83.42	409.52	5.08	-78.34
CCN(CC1CCN(C(=O)C2C[N@@H+](C)CCO2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028660536	1	55	0.0	-80.59	407.81	5.04	-75.55
CCN(CC1CCN(C(=O)C2CCC[N@@H+]2C(C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028660686	0	60	0.0	-69.80	424.10	7.20	-62.60
CCN(CC1CCN(C(=O)C2CCC[N@H+]2C(C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028660686	1	60	0.0	-58.68	422.81	7.00	-51.68
CCN(CC1CCN(C(=O)CN2C=C[NH+]=C2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028660716	1	52	0.0	-61.56	405.07	6.41	-55.15
CCN(CC1CCN(C(=O)C2C[NH+]3CCC2CC3)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028660738	0	58	0.0	-64.06	410.49	6.30	-57.76
CCN(CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028660771	0	57	0.0	-76.36	411.27	6.18	-70.18
CCN(CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028660771	1	57	0.0	-63.70	411.77	6.37	-57.33
CC[C@@H]1[C@@H](C(=O)N2CCC(CN(CC)C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300028660773	0	60	0.0	-73.34	429.47	6.43	-66.91
CC[C@@H]1[C@@H](C(=O)N2CCC(CN(CC)C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300028660773	1	60	0.0	-62.72	429.60	6.78	-55.94
CCN(CC1CCN(C(=O)C2C[N@H+](CC)CCO2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028660779	1	58	0.0	-70.55	424.99	5.70	-64.85
CCN(CC1CCN(C(=O)C2C[N@@H+](CC)CCO2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028660779	1	58	0.0	-77.37	419.55	5.52	-71.85
CCN(CC1CCN(C(=O)C(F)C[NH+](CC)CC)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028660805	0	59	0.0	-64.94	433.88	6.53	-58.41
CCN(CC1CCN(C(=O)C[NH+]2C(C)CCC2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028660838	0	60	0.0	-59.92	432.79	6.81	-53.11
CCN(CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028660841	0	60	0.0	-66.24	445.50	7.39	-58.85
CCN(CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028660844	0	60	0.0	-64.86	439.67	7.29	-57.57
CCN(CC1CCN(C(=O)C2CCCC[N@@H+]2CC)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028660847	0	60	0.0	-66.45	435.76	7.13	-59.32
CCN(CC1CCN(C(=O)C2CCCC[N@H+]2CC)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028660847	1	60	0.0	-59.82	434.37	7.01	-52.81
CCN(CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028660857	0	57	0.0	-78.80	398.97	5.69	-73.11
CCN(CC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028660863	0	59	0.0	-68.98	414.55	6.37	-62.61
CCN(CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028660887	0	57	0.0	-61.98	421.91	6.79	-55.19
CCN(CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028660887	1	57	0.0	-70.63	422.29	6.86	-63.77
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CN(CC)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028660952	1	56	0.0	-67.43	421.27	6.64	-60.79
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CN(CC)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028660952	1	56	0.0	-60.86	427.47	6.98	-53.88
CCN(CC1CCN(C(=O)CCC2CCC[N@@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028660957	0	60	0.0	-66.39	437.14	6.86	-59.53
CCN(CC1CCN(C(=O)CCC2CCC[N@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028660957	1	60	0.0	-66.40	443.06	7.35	-59.05
CCN(CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028660973	0	57	0.0	-77.25	419.28	6.41	-70.84
CCN(CC1CCN(C(=O)C2CCCC[N@@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661007	0	57	0.0	-63.37	407.99	6.04	-57.33
CCN(CC1CCN(C(=O)C2CCCC[N@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661007	1	57	0.0	-61.29	415.18	6.34	-54.95
CCN(CC1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661068	0	52	0.0	-67.74	410.28	8.16	-59.58
CCN(CC1CCN(C(=O)CC[NH+]2CCOCC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661074	1	58	0.0	-67.95	430.94	4.86	-63.09
CCN(CC1CCN(C(=O)CN2C=[NH+]C=C2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661087	1	52	0.0	-71.80	404.75	7.14	-64.66
CCN(CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661106	0	58	0.0	-59.54	412.17	6.08	-53.46
CCN(CC1CCN(C(=O)CC2CC[N@H+](C)C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661115	0	57	0.0	-67.79	420.98	6.50	-61.29
CCN(CC1CCN(C(=O)CC2CC[N@@H+](C)C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661115	1	57	0.0	-80.69	421.11	6.43	-74.26
CCC(C(=O)N1CCC(CN(CC)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028661122	0	56	0.0	-62.29	403.84	5.71	-56.58
CCN(CC1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661149	1	52	0.0	-68.30	410.39	8.19	-60.11
CCN(CC1CCN(C(=O)CCCC[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661177	0	59	0.0	-68.68	441.03	6.99	-61.69
CCN(CC1CCN(C(=O)C(C(C)C)[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661189	0	59	0.0	-61.20	419.14	6.33	-54.87
CCC[N@H+](C)CCC(=O)N1CCC(CN(CC)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028661190	0	59	0.0	-66.27	437.27	6.81	-59.46
CCC[N@@H+](C)CCC(=O)N1CCC(CN(CC)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028661190	1	59	0.0	-66.00	437.27	6.81	-59.19
CCC[N@H+](C)CC(=O)N1CCC(CN(CC)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028661193	0	56	0.0	-63.56	414.90	6.22	-57.34
CCC[N@@H+](C)CC(=O)N1CCC(CN(CC)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028661193	1	56	0.0	-72.85	415.41	6.30	-66.55
CCN(CC1CCN(C(=O)C23CC[N@H+](C2)CCC3)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661207	0	58	0.0	-65.24	409.96	5.67	-59.57
CCN(CC1CCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661207	1	58	0.0	-66.28	406.07	5.51	-60.77
CCN(CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661233	0	54	0.0	-61.09	397.14	5.58	-55.51
CCN(CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661233	1	54	0.0	-61.47	392.25	5.32	-56.15
CCN(CC1CCN(C(=O)C[NH+](CC)CC)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661266	0	56	0.0	-61.99	407.12	5.89	-56.10
CCN(CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661326	0	60	0.0	-63.04	438.25	7.29	-55.75
CCN(CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661346	0	57	0.0	-77.91	423.54	6.37	-71.54
CCN(CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661398	0	57	0.0	-77.25	419.28	6.41	-70.84
CCN(CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661414	0	59	0.0	-61.17	419.47	6.33	-54.84
CCC(C(=O)N1CCC(CN(CC)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](CC)CC	REAL300028661442	0	62	0.0	-57.70	438.91	7.00	-50.70
CCN(CC1CCN(C(=O)CC[N@H+](C)CC)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661475	0	56	0.0	-65.52	415.77	6.07	-59.45
CCN(CC1CCN(C(=O)CC[N@@H+](C)CC)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661475	1	56	0.0	-65.67	415.77	6.06	-59.61
CCN(CC1CCN(C(=O)C[N@@H+]2CCCC2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661501	0	57	0.0	-60.78	419.46	6.59	-54.19
CCN(CC1CCN(C(=O)C[N@H+]2CCCC2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661501	1	57	0.0	-60.89	416.12	6.48	-54.41
CCN(CC1CCN(C(=O)C[N@@H+]2CCC(C)C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661502	0	57	0.0	-62.53	421.38	6.55	-55.98
CCN(CC1CCN(C(=O)C[N@H+]2CCC(C)C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661502	1	57	0.0	-62.56	419.70	6.51	-56.05
CCN(CC1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661506	0	60	0.0	-62.72	437.14	6.95	-55.77
CCN(CC1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661506	1	60	0.0	-73.50	440.19	7.04	-66.46
CCN(CC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661507	0	62	0.0	-71.33	447.42	7.61	-63.72
CCN(CC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661507	1	62	0.0	-72.83	443.85	7.25	-65.58
CC[C@@H](C(=O)N1CCC(CN(CC)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028661515	0	56	0.0	-61.78	400.40	5.60	-56.18
CCN(CC1CCN(C(=O)C[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661611	0	50	0.0	-64.45	375.67	4.80	-59.65
CCN(CC1CCN(C(=O)C[NH+]2CCCCCC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661614	0	60	0.0	-62.28	426.75	6.85	-55.43
CCN(CC1CCN(C(=O)C[N+]2=CN(C)C=C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661617	0	52	0.0	-63.02	406.90	8.32	-54.70
CCN(CC1CCN(C(=O)C2CCC[N@H+](C)C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661621	0	57	0.0	-73.60	410.81	6.44	-67.16
CCN(CC1CCN(C(=O)C2CCC[N@@H+](C)C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661621	1	57	0.0	-74.33	411.74	6.47	-67.86
CCN(CC1CCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661626	0	58	0.0	-72.78	428.31	6.85	-65.93
CCN(CC1CCN(C(=O)C2CCC[N@H+]2C2CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661626	1	58	0.0	-59.25	423.88	6.95	-52.30
CCN(CC1CCN(C(=O)C(C)[NH+]2CCC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661641	0	54	0.0	-72.66	400.52	5.67	-66.99
CCC(CC(=O)N1CCC(CN(CC)C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300028661645	0	62	0.0	-68.54	446.82	7.34	-61.20
CCN(CC1CCN(C(=O)C(C)(C)C[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661650	0	59	0.0	-65.36	416.58	6.15	-59.21
CCN(CC1CCN(C(=O)C[NH+]2CCC(O)CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661663	0	58	0.0	-66.32	428.48	3.33	-62.99
CCN(CC1CCN(C(=O)C[N@H+](C)C2CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661664	0	54	0.0	-61.62	405.09	6.21	-55.41
CCN(CC1CCN(C(=O)C[N@@H+](C)C2CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661664	1	54	0.0	-61.05	404.95	6.21	-54.84
CCN(CC1CCN(C(=O)CC2C[NH+](C)C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661679	0	54	0.0	-67.25	406.96	5.67	-61.58
CCN(CC1CCN(C(=O)C2CC[N@@H+]2C(C)(C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661690	0	60	0.0	-68.29	436.68	6.47	-61.82
CCN(CC1CCN(C(=O)C2CC[N@H+]2C(C)(C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661690	1	60	0.0	-59.57	431.68	6.27	-53.30
CCN(CC1CCN(C(=O)[C@H](C)[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661701	0	53	0.0	-62.56	391.24	5.13	-57.43
CCN(CC1CCN(C(=O)CN2C=CSC2=[NH2+])CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661758	0	50	0.0	-68.46	402.05	4.98	-63.48
CCN(CC1CCN(C(=O)CC[N@H+](C)CCO)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661764	0	57	0.0	-75.10	425.44	2.85	-72.25
CCN(CC1CCN(C(=O)CC[N@@H+](C)CCO)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661764	1	57	0.0	-65.89	426.25	2.86	-63.03
CCN(CC1CCN(C(=O)[C@H](C)[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661765	0	53	0.0	-62.56	391.24	5.13	-57.43
CCN(CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661769	0	57	0.0	-69.56	415.61	6.39	-63.17
CCN(CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661769	1	57	0.0	-61.51	400.98	5.80	-55.71
CCN(CC1CCN(C(=O)C[NH+]2CCC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661819	1	51	0.0	-73.29	386.22	5.27	-68.02
CCN(CC1CCN(C(=O)C=C2CC[N@H+](C)C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661836	0	55	0.0	-71.03	408.17	6.25	-64.78
CCN(CC1CCN(C(=O)C=C2CC[N@@H+](C)C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661836	1	55	0.0	-82.60	409.34	6.26	-76.34
CCN(CC1CCN(C(=O)COCC[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661857	0	57	0.0	-66.37	431.85	5.93	-60.44
C=CCC(C)(C(=O)N1CCC(CN(CC)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028661870	0	60	0.0	-59.43	418.44	6.19	-53.24
CCN(CC1CCN(C(=O)C2(C)CC(O)C[N@@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661891	0	58	0.0	-64.09	414.95	2.32	-61.77
CCN(CC1CCN(C(=O)CN2CC(C)C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661909	0	54	0.0	-63.68	406.96	5.89	-57.79
CCN(CC1CCN(C(=O)C[NH+]2CC(C)C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661909	1	54	0.0	-63.68	406.96	5.89	-57.79
CCN(CC1CCN(C(=O)CN(C)CCO)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661927	0	54	0.0	-72.95	404.27	2.31	-70.64
CCN(CC1CCN(C(=O)C[N@H+](C)CCO)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661927	1	54	0.0	-73.55	403.12	2.24	-71.31
CCN(CC1CCN(C(=O)C[N@@H+](C)CCO)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661927	1	54	0.0	-73.55	403.12	2.24	-71.31
CCN(CC1CCN(C(=O)C2CCC[N@H+](CC)C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661947	0	60	0.0	-77.24	437.77	7.01	-70.23
CCN(CC1CCN(C(=O)C2CCC[N@@H+](CC)C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661947	1	60	0.0	-77.24	437.77	7.01	-70.23
CCN(CC1CCN(C(=O)CC(C)C[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661949	0	59	0.0	-77.18	432.17	6.86	-70.32
CCN(CC1CCN(C(=O)C[N@H+](C)CC)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661954	0	53	0.0	-72.80	392.72	5.46	-67.34
CCN(CC1CCN(C(=O)C[N@H+](CC)C2CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661986	0	57	0.0	-60.18	424.52	6.83	-53.35
CCN(CC1CCN(C(=O)CC[NH+](CC)CC)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661996	0	59	0.0	-64.60	433.68	6.75	-57.85
CCN(CC1CCN(C(=O)CN2CC(C)(C)C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662013	0	57	0.0	-63.62	424.86	6.44	-57.18
CCN(CC1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662013	1	57	0.0	-63.62	424.86	6.44	-57.18
CCN(CC1CCN(C(=O)C[N@@H+]2CCC(C)(O)C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662031	0	58	0.0	-63.17	430.27	3.25	-59.92
CCN(CC1CCN(C(=O)C=CC[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662034	0	54	0.0	-83.97	411.78	6.07	-77.90
CCN(CC1CCN(C(=O)C(C)OCC[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662043	0	60	0.0	-79.44	447.68	6.37	-73.07
CCN(CC1CCN(C(=O)CCOCC[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662049	0	60	0.0	-66.97	452.80	5.64	-61.33
CCN(CC1CCN(C(=O)CN(C)CCOC)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662050	0	57	0.0	-73.15	426.52	4.71	-68.44
CCN(CC1CCN(C(=O)C[N@H+](C)CCOC)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662050	1	57	0.0	-73.41	425.36	4.64	-68.77
CCN(CC1CCN(C(=O)C[N@@H+](C)CCOC)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662050	1	57	0.0	-73.41	425.36	4.64	-68.77
CCN(CC1CCN(C(=O)C2([NH+](C)C)CCCC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662070	0	60	0.0	-75.73	411.06	6.31	-69.42
CCN(CC1CCN(C(=O)CCC(C)[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662072	0	59	0.0	-66.08	433.17	6.60	-59.48
CCN(CC1CCN(C(=O)C2CC[N@@H+]2CC)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662078	0	54	0.0	-72.21	406.78	5.75	-66.46
CCN(CC1CCN(C(=O)C[N@@H+]2CCCC2CO)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662090	0	58	0.0	-59.62	421.68	3.35	-56.27
CCN(CC1CCN(C(=O)C2(C)CC[NH+](C)CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662111	0	60	0.0	-70.11	424.20	6.38	-63.73
C=CCC(C(=O)N1CCC(CN(CC)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028662129	0	57	0.0	-61.46	420.51	6.33	-55.13
CCN(CC1CCN(C(=O)C2CC(C)(C)C[N@@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662136	0	60	0.0	-72.55	441.59	6.87	-65.68
CCN(CC1CCN(C(=O)C2CC(C)(C)C[N@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662136	1	60	0.0	-72.55	441.59	6.87	-65.68
CCN(CC1CCN(C(=O)CCCCC[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662138	0	62	0.0	-69.20	462.53	7.76	-61.44
CCN(CC1CCN(C(=O)C[NH+]2CC3CC3C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662143	0	55	0.0	-62.80	411.14	6.69	-56.11
CCCC(C(=O)N1CCC(CN(CC)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028662158	0	59	0.0	-63.39	425.33	6.47	-56.92
CCN(CC1CCN(C(=O)C(C)(C)[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662161	0	56	0.0	-61.99	396.77	5.28	-56.71
CCN(CC1CCN(C(=O)C2CCCC[N@@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662186	0	57	0.0	-61.29	415.18	6.34	-54.95
CCN(CC1CCN(C(=O)CC2=CC[N@H+](C)CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662209	0	58	0.0	-67.00	434.84	7.17	-59.83
CCN(CC1CCN(C(=O)CC2=CC[N@@H+](C)CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662209	1	58	0.0	-67.00	434.84	7.17	-59.83
CCN(CC1CCN(C(=O)C=CC[NH+]2CCCC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662243	0	58	0.0	-68.16	436.87	7.22	-60.94
CCN(CC1CCN(C(=O)CC[NH+]2CCCC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662275	0	57	0.0	-65.05	424.00	6.58	-58.47
CCN(CC1CCN(C(=O)C23CC(C2)C[N@@H+]3C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662302	0	55	0.0	-81.06	397.99	5.75	-75.31
CCN(CC1CCN(C(=O)C[N@@H+]2CC3CCC2C3)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662309	0	58	0.0	-61.14	421.36	6.94	-54.20
CCN(CC1CCN(C(=O)C[N@H+]2CC3CCC2C3)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662309	1	58	0.0	-61.14	421.36	6.94	-54.20
CCN(CC1CCN(C(=O)CN2CC3C=CC2C3)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662347	0	56	0.0	-60.29	414.48	6.68	-53.61
CCN(CC1CCN(C(=O)C[N@@H+]2CC3C=CC2C3)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662347	1	56	0.0	-71.10	414.05	6.78	-64.32
CCN(CC1CCN(C(=O)C[N@H+]2CC3C=CC2C3)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662347	1	56	0.0	-71.10	414.05	6.78	-64.32
CCN(CC1CCN(C(=O)C(C)C[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662379	0	56	0.0	-66.31	411.89	5.87	-60.44
CCN(CC1CCN(C(=O)CC2CCCC[N@@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662423	0	60	0.0	-75.76	434.18	7.04	-68.72
CCN(CC1CCN(C(=O)CC2CCCC[N@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662423	1	60	0.0	-75.76	434.18	7.04	-68.72
CCN(CC1CCN(C(=O)C[N@@H+]2CCC2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662435	0	54	0.0	-63.00	405.63	5.89	-57.11
CCN(CC1CCN(C(=O)CC(O)C[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662438	0	57	0.0	-80.33	427.48	3.86	-76.47
CCN(CC1CCN(C(=O)C2CN(C)CC(C)O2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662458	0	58	0.0	-69.00	422.76	5.60	-63.40
CCN(CC1CCN(C(=O)C2C[N@H+](C)CC(C)O2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662458	1	58	0.0	-71.07	422.94	5.76	-65.31
CCN(CC1CCN(C(=O)C2C[N@@H+](C)CC(C)O2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662458	1	58	0.0	-71.07	422.94	5.76	-65.31
CCN(CC1CCN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662500	0	57	0.0	-78.84	420.39	6.44	-72.40
CCN(CC1CCN(C(=O)C(C)CC[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662505	0	59	0.0	-80.32	433.15	6.47	-73.85
CCN(CC1CCN(C(=O)CN2CCN(C)CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662522	0	59	0.0	-73.18	435.15	4.35	-68.83
CCN(CC1CCN(C(=O)CN2CC[NH+](C)CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662522	1	59	0.0	-73.18	435.15	4.35	-68.83
CCN(CC1CCN(C(=O)CSC(N)=[NH2+])CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662544	0	48	0.0	-64.83	384.20	1.77	-63.06
CCN(CC1CCN(C(=O)C2(CC[NH+](C)C)CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662572	0	60	0.0	-81.45	446.14	7.16	-74.29
CCN(CC1CCN(C(=O)CC2CC=CC[N@@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662573	0	58	0.0	-76.26	427.04	6.92	-69.34
CCN(CC1CCN(C(=O)CC2CC=CC[N@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662573	1	58	0.0	-76.26	427.04	6.92	-69.34
CCN(CC1CCN(C(=O)[C@@H](C)OCC[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662585	0	60	0.0	-64.92	446.88	6.35	-58.57
CCC1C[NH+](CC(=O)N2CCC(CN(CC)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028662663	0	57	0.0	-64.26	428.12	6.61	-57.65
CCN(CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662668	0	54	0.0	-70.50	393.96	5.34	-65.16
CCN(CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662668	1	54	0.0	-69.17	399.96	5.68	-63.49
CCN(CC1CCN(C(=O)CC[N@H+]2CCC(F)C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662674	1	57	0.0	-81.14	426.02	6.57	-74.57
CCN(CC1CCN(C(=O)C[NH+]2CCCCC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662687	0	57	0.0	-62.48	417.41	6.68	-55.80
CCN(CC1CCN(C(=O)C2CC[N@H+](C)C2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662693	0	57	0.0	-75.21	420.47	6.18	-69.03
CCN(CC1CCN(C(=O)C2CC[N@@H+](C)C2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662693	1	57	0.0	-73.96	412.22	5.87	-68.09
CCN(CC1CCN(C(=O)CC2COCCN2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662722	0	58	0.0	-79.32	425.56	4.66	-74.66
CCN(CC1CCN(C(=O)CC2COCC[N@@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662722	1	58	0.0	-63.65	417.44	4.53	-59.12
CCN(CC1CCN(C(=O)CC2COCC[N@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662722	1	58	0.0	-79.32	425.56	4.66	-74.66
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CCC[N@@H+]1C	REAL300028662892	0	54	0.0	-72.35	390.19	5.09	-67.26
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CCC[N@H+]1C	REAL300028662892	1	54	0.0	-72.57	391.44	5.12	-67.45
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1C[N@H+](C)CCO1	REAL300028662918	1	55	0.0	-72.19	395.85	4.57	-67.62
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1C[N@@H+](C)CCO1	REAL300028662918	1	55	0.0	-77.18	410.62	5.08	-72.10
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC[NH+]1CCOCC1	REAL300028663069	1	58	0.0	-75.15	430.92	4.74	-70.41
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C12CCC[NH+]1CCC2	REAL300028663079	0	58	0.0	-69.49	402.14	6.17	-63.32
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300028663085	1	52	0.0	-78.38	401.16	7.75	-70.63
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC1CC[N@H+](C)C1	REAL300028663111	0	57	0.0	-76.36	424.00	6.44	-69.92
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC1CC[N@@H+](C)C1	REAL300028663111	1	57	0.0	-71.50	422.75	6.42	-65.08
CCC(C(=O)N(CC)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028663118	0	56	0.0	-66.41	402.40	5.63	-60.78
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CCCC[NH+](C)C	REAL300028663153	0	59	0.0	-73.83	441.02	6.87	-66.96
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C(C(C)C)[NH+](C)C	REAL300028663167	0	59	0.0	-66.52	416.44	6.25	-60.27
CCC[N@H+](C)CCC(=O)N(CC)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028663168	0	59	0.0	-72.94	437.25	6.70	-66.24
CCC[N@@H+](C)CCC(=O)N(CC)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028663168	1	59	0.0	-75.73	437.35	6.81	-68.92
CCC[N@H+](C)CC(=O)N(CC)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028663171	0	56	0.0	-72.99	414.87	6.08	-66.91
CCC[N@@H+](C)CC(=O)N(CC)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028663171	1	56	0.0	-73.08	414.98	6.20	-66.88
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C12CC[N@H+](C1)CCC2	REAL300028663185	0	58	0.0	-83.25	404.79	5.40	-77.85
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C12CC[N@@H+](C1)CCC2	REAL300028663185	1	58	0.0	-72.47	406.61	5.47	-67.00
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[NH+]1CCC(C)CC1	REAL300028663218	0	60	0.0	-74.17	438.32	7.16	-67.01
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1(C[NH+](C)C)CC1	REAL300028663257	0	57	0.0	-70.03	419.18	6.22	-63.81
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC[N@H+](C)CC	REAL300028663276	0	56	0.0	-74.94	415.85	6.08	-68.86
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC[N@@H+](C)CC	REAL300028663276	1	56	0.0	-74.98	415.84	6.08	-68.90
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1C[NH+]2CCC1CC2	REAL300028663289	0	58	0.0	-80.02	408.54	6.04	-73.98
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CC[NH+](C)CC1	REAL300028663336	0	57	0.0	-78.59	412.01	6.01	-72.58
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)[C@@H](C(C)C)[NH+](C)C	REAL300028663352	0	59	0.0	-66.26	413.44	5.95	-60.31
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C(F)C[NH+](CC)CC	REAL300028663405	0	59	0.0	-69.79	439.53	6.73	-63.06
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1([NH+](C)C)CCC1	REAL300028663423	0	57	0.0	-64.83	392.62	5.41	-59.42
CCC(C(=O)N(CC)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](CC)CC	REAL300028663451	0	62	0.0	-63.23	437.08	6.95	-56.28
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@@H+]1CCCC1C	REAL300028663461	0	57	0.0	-69.58	414.52	6.18	-63.40
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@H+]1CCCC1C	REAL300028663461	1	57	0.0	-70.54	420.87	6.46	-64.08
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CCC[N@@H+]1C(C)C	REAL300028663499	0	60	0.0	-64.68	432.66	6.59	-58.09
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CCC[N@H+]1C(C)C	REAL300028663499	1	60	0.0	-66.15	422.84	6.61	-59.54
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)[C@H](C(C)C)[NH+](C)C	REAL300028663506	0	59	0.0	-74.23	413.97	5.87	-68.36
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@@H+]1CCC(C)C1	REAL300028663519	0	57	0.0	-72.21	421.15	6.48	-65.73
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@H+]1CCC(C)C1	REAL300028663519	1	57	0.0	-69.16	416.55	6.31	-62.85
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300028663523	0	60	0.0	-69.04	442.55	7.14	-61.90
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@H+]1CCC(C)(C)C1	REAL300028663523	1	60	0.0	-72.15	440.73	7.05	-65.10
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@H+](C)CC(C)(C)C	REAL300028663524	0	62	0.0	-72.69	445.78	7.25	-65.44
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@@H+](C)CC(C)(C)C	REAL300028663524	1	62	0.0	-73.12	444.26	7.25	-65.87
CC[C@@H](C(=O)N(CC)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028663532	0	56	0.0	-65.68	401.45	5.48	-60.20
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CN1C=C[NH+]=C1C	REAL300028663637	1	52	0.0	-68.84	400.56	6.16	-62.68
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1C[N@H+](CC)CCO1	REAL300028663692	1	58	0.0	-80.92	428.47	5.67	-75.25
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1C[N@@H+](CC)CCO1	REAL300028663692	1	58	0.0	-73.41	418.55	5.47	-67.94
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300028663721	0	52	0.0	-78.04	411.60	8.08	-69.96
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CN1C=[NH+]C=C1C	REAL300028663724	1	52	0.0	-71.69	404.47	7.10	-64.59
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300028663730	0	57	0.0	-70.34	411.84	6.03	-64.31
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300028663730	1	57	0.0	-74.85	414.07	5.81	-69.04
CC[C@@H]1[C@@H](C(=O)N(CC)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300028663732	0	60	0.0	-74.71	430.23	6.34	-68.37
CC[C@@H]1[C@@H](C(=O)N(CC)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300028663732	1	60	0.0	-75.08	434.06	6.52	-68.56
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[NH+]1C(C)CCC1C	REAL300028663739	0	60	0.0	-68.93	428.58	6.60	-62.33
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CCC[NH+]1CCCC1	REAL300028663742	0	60	0.0	-73.68	445.59	7.38	-66.30
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC[NH+]1CCCCC1	REAL300028663746	0	60	0.0	-74.39	439.29	7.25	-67.14
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CCCC[N@@H+]1CC	REAL300028663749	0	60	0.0	-69.19	424.08	6.43	-62.76
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CCCC[N@H+]1CC	REAL300028663749	1	60	0.0	-70.02	431.08	6.87	-63.15
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@H+](C)C1CCC1	REAL300028663840	0	57	0.0	-71.06	421.75	6.63	-64.43
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@@H+](C)C1CCC1	REAL300028663840	1	57	0.0	-70.71	417.35	6.54	-64.17
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CC[NH+](C)CC1	REAL300028663868	0	57	0.0	-78.59	412.01	6.01	-72.58
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300028663896	0	54	0.0	-58.45	393.52	5.45	-53.00
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)[C@H]1CCC[N@H+]1C	REAL300028663896	1	54	0.0	-68.69	395.36	5.28	-63.41
C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028663913	1	56	0.0	-66.12	416.14	6.43	-59.69
C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028663913	1	56	0.0	-72.85	424.54	6.91	-65.94
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CCC1CCC[N@@H+]1C	REAL300028663918	0	60	0.0	-72.10	437.73	6.87	-65.23
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CCC1CCC[N@H+]1C	REAL300028663918	1	60	0.0	-77.49	439.34	7.20	-70.29
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CCCC[N@@H+]1C	REAL300028663987	0	57	0.0	-71.44	404.17	5.79	-65.65
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CCCC[N@H+]1C	REAL300028663987	1	57	0.0	-71.08	408.55	5.89	-65.19
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CC[N@H+](C)C1C	REAL300028664042	0	57	0.0	-75.78	408.37	5.78	-70.00
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CC[N@@H+](C)C1C	REAL300028664042	1	57	0.0	-72.01	416.33	5.97	-66.04
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300028664096	0	60	0.0	-68.27	413.14	5.64	-62.63
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CC[N@H+]1C(C)(C)C	REAL300028664096	1	60	0.0	-70.55	432.03	6.16	-64.39
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)[C@H](C)[NH+](C)C	REAL300028664110	0	53	0.0	-72.70	385.79	4.81	-67.89
C=CCC(C)(C(=O)N(CC)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028664124	0	60	0.0	-69.39	414.38	6.21	-63.18
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC[NH+]1CCCC1	REAL300028664139	0	57	0.0	-74.38	424.08	6.57	-67.81
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@H+](C)CCO	REAL300028664148	1	54	0.0	-73.57	399.22	1.99	-71.58
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@@H+](C)CCO	REAL300028664148	1	54	0.0	-73.35	403.71	2.11	-71.24
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC1=CC[N@H+](C)CC1	REAL300028664201	0	58	0.0	-66.74	434.89	7.17	-59.57
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC1=CC[N@@H+](C)CC1	REAL300028664201	1	58	0.0	-68.71	434.92	7.17	-61.54
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1(C)CC(O)C[N@@H+]1C	REAL300028664222	0	58	0.0	-71.61	411.67	1.82	-69.79
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1(C)CC(O)C[N@H+]1C	REAL300028664222	1	58	0.0	-71.11	412.72	2.14	-68.97
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[NH+]1CC(C)C1	REAL300028664250	1	54	0.0	-69.85	406.93	5.79	-64.06
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CCC[N@H+](CC)C1	REAL300028664256	0	60	0.0	-66.12	424.36	6.74	-59.38
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CCC[N@@H+](CC)C1	REAL300028664256	1	60	0.0	-69.35	440.07	7.04	-62.31
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC1=CC=C[NH+]=C1N	REAL300028664260	0	53	0.0	-68.30	409.98	4.65	-63.65
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CCC[N@@H+]1C1CC1	REAL300028664267	0	58	0.0	-71.63	425.05	6.62	-65.01
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CCC[N@H+]1C1CC1	REAL300028664267	1	58	0.0	-70.60	410.70	6.27	-64.33
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C=CC[NH+]1CCCC1	REAL300028664293	0	58	0.0	-76.38	437.32	7.15	-69.23
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@H+](C)CC	REAL300028664336	0	53	0.0	-72.74	393.49	5.45	-67.29
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CN1CC2C=CC1C2	REAL300028664369	0	56	0.0	-68.53	414.74	6.67	-61.86
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@@H+]1CC2C=CC1C2	REAL300028664369	1	56	0.0	-69.16	414.71	6.66	-62.50
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@H+]1CC2C=CC1C2	REAL300028664369	1	56	0.0	-69.16	414.71	6.66	-62.50
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C(C)OCC[NH+](C)C	REAL300028664449	0	60	0.0	-68.32	447.95	6.55	-61.77
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CCOCC[NH+](C)C	REAL300028664456	0	60	0.0	-73.09	452.48	5.52	-67.57
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CN(C)CCOC	REAL300028664458	0	57	0.0	-73.84	421.47	4.39	-69.45
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@H+](C)CCOC	REAL300028664458	1	57	0.0	-73.15	425.96	4.51	-68.64
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@@H+](C)CCOC	REAL300028664458	1	57	0.0	-73.15	425.96	4.51	-68.64
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CCC(C)[NH+](C)C	REAL300028664461	0	59	0.0	-70.28	433.09	6.48	-63.80
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@H+](CC)C1CC1	REAL300028664476	0	57	0.0	-71.63	412.79	6.25	-65.38
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C12CC(C1)C[N@@H+]2C	REAL300028664502	0	55	0.0	-75.42	390.12	5.82	-69.60
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@@H+]1CC2CCC1C2	REAL300028664511	0	58	0.0	-70.01	419.72	6.60	-63.41
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@H+]1CC2CCC1C2	REAL300028664511	1	58	0.0	-70.01	419.72	6.60	-63.41
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C(C)C[NH+](C)C	REAL300028664525	0	56	0.0	-70.60	407.14	5.73	-64.87
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CCN1CC	REAL300028664560	0	54	0.0	-68.00	401.14	5.46	-62.54
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CC[N@@H+]1CC	REAL300028664560	1	54	0.0	-66.78	401.73	5.51	-61.27
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CC[N@H+]1CC	REAL300028664560	1	54	0.0	-66.78	401.73	5.51	-61.27
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C(C)[NH2+]C(C)(C)CC	REAL300028664569	0	62	0.0	-66.41	437.84	5.06	-61.35
CCCC(C(=O)N(CC)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028664603	0	59	0.0	-67.29	423.89	6.40	-60.89
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C(C)(C)[NH+](C)C	REAL300028664607	0	56	0.0	-68.68	390.85	5.24	-63.44
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C(C)CC[NH+](C)C	REAL300028664620	0	59	0.0	-70.77	428.77	6.34	-64.43
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300028664674	0	60	0.0	-71.32	438.76	6.78	-64.54
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CC(C)(C)C[N@H+]1C	REAL300028664674	1	60	0.0	-71.32	438.76	6.78	-64.54
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CCCCC[NH+](C)C	REAL300028664676	0	62	0.0	-73.14	462.51	7.65	-65.49
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CN1CCN(C)CC1	REAL300028664683	0	59	0.0	-72.05	434.37	4.14	-67.91
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CN1CC[NH+](C)CC1	REAL300028664683	1	59	0.0	-72.05	434.37	4.14	-67.91
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CN(C)CC(C)O1	REAL300028664733	0	58	0.0	-85.59	425.39	5.27	-80.32
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1C[N@H+](C)CC(C)O1	REAL300028664733	1	58	0.0	-85.86	431.69	5.70	-80.16
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1C[N@@H+](C)CC(C)O1	REAL300028664733	1	58	0.0	-85.86	431.69	5.70	-80.16
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CCCC[N@@H+]1C	REAL300028664786	0	57	0.0	-71.08	408.55	5.89	-65.19
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C=C1CC[N@H+](C)C1	REAL300028664853	0	55	0.0	-76.03	414.67	6.47	-69.56
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C=C1CC[N@@H+](C)C1	REAL300028664853	1	55	0.0	-76.03	414.68	6.45	-69.58
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CNC1=CC=[NH+]C=C1	REAL300028664856	0	53	0.0	-73.55	411.47	4.07	-69.48
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1([NH+](C)C)CCCC1	REAL300028664910	0	60	0.0	-70.25	409.70	6.23	-64.02
CCC1C[NH+](CC(=O)N(CC)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028664919	0	57	0.0	-74.04	428.41	6.64	-67.40
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300028664929	0	54	0.0	-67.40	386.81	5.00	-62.40
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300028664929	1	54	0.0	-65.99	398.75	5.49	-60.50
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300028665019	0	57	0.0	-69.63	424.13	6.40	-63.23
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1(CC[NH+](C)C)CC1	REAL300028665028	0	60	0.0	-69.88	441.68	6.90	-62.98
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC1CC=CC[N@@H+]1C	REAL300028665029	0	58	0.0	-77.04	426.73	6.88	-70.16
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC1CC=CC[N@H+]1C	REAL300028665029	1	58	0.0	-77.51	427.20	6.89	-70.62
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)COCC[NH+](C)C	REAL300028665062	0	57	0.0	-68.13	431.54	5.77	-62.36
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CN1C=CSC1=[NH2+]	REAL300028665088	0	50	0.0	-68.75	398.20	4.74	-64.01
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)[C@@H](C)OCC[NH+](C)C	REAL300028665124	0	60	0.0	-64.13	444.51	6.08	-58.05
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CCC[N@H+](C)C1	REAL300028665152	0	57	0.0	-74.40	418.02	6.26	-68.14
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CCC[N@@H+](C)C1	REAL300028665152	1	57	0.0	-74.40	418.02	6.26	-68.14
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[NH+]1CCCCCC1	REAL300028665153	0	60	0.0	-72.51	422.21	6.62	-65.89
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N+]1=CN(C)C=C1	REAL300028665156	0	52	0.0	-69.98	406.99	8.31	-61.67
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CN1CCC(O)CC1	REAL300028665176	0	58	0.0	-77.98	428.57	3.31	-74.67
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[NH+]1CCC(O)CC1	REAL300028665176	1	58	0.0	-77.98	428.57	3.31	-74.67
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@H+](C)C1CC1	REAL300028665177	0	54	0.0	-69.92	405.02	6.21	-63.71
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC[N@@H+]1CCC(F)C1	REAL300028665180	0	57	0.0	-72.52	429.86	6.54	-65.98
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC(C)C[NH+](C)C	REAL300028665200	0	59	0.0	-75.42	432.77	6.76	-68.66
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC1COCCN1C	REAL300028665219	0	58	0.0	-69.10	418.89	4.51	-64.59
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC1COCC[N@@H+]1C	REAL300028665219	1	58	0.0	-79.21	426.21	4.66	-74.55
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC1COCC[N@H+]1C	REAL300028665219	1	58	0.0	-79.21	426.21	4.66	-74.55
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CN=C(N)C=C1C	REAL300028665258	0	53	0.0	-74.10	409.60	3.93	-70.17
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=C[NH+]=C(N)C=C1C	REAL300028665258	1	53	0.0	-74.10	409.60	3.93	-70.17
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300028665287	0	58	0.0	-71.99	433.41	3.19	-68.80
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC1C[NH+](C)C1	REAL300028665313	0	54	0.0	-71.63	407.10	5.54	-66.09
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC[N@H+](C)CCO	REAL300028665338	0	57	0.0	-71.18	426.06	2.72	-68.46
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC[N@@H+](C)CCO	REAL300028665338	1	57	0.0	-71.18	426.06	2.72	-68.46
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC1CCCC[N@@H+]1C	REAL300028665354	0	60	0.0	-76.53	434.76	7.04	-69.49
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC1CCCC[N@H+]1C	REAL300028665354	1	60	0.0	-76.53	434.76	7.04	-69.49
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CN1CCC1C	REAL300028665367	0	54	0.0	-68.38	407.03	5.74	-62.64
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@@H+]1CCC1C	REAL300028665367	1	54	0.0	-71.67	407.25	5.87	-65.80
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@H+]1CCC1C	REAL300028665367	1	54	0.0	-71.67	407.25	5.87	-65.80
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C=CC[NH+](C)C	REAL300028665373	0	54	0.0	-75.99	412.56	5.96	-70.03
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CN1CC(C)(C)C1	REAL300028665379	0	57	0.0	-73.44	426.58	6.47	-66.97
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[NH+]1CC(C)(C)C1	REAL300028665379	1	57	0.0	-73.44	426.58	6.47	-66.97
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CSCC[NH+](C)C	REAL300028665398	0	57	0.0	-78.13	442.54	6.70	-71.43
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@@H+]1CCCC1CO	REAL300028665415	0	58	0.0	-66.90	421.25	3.18	-63.72
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[NH+](CC)CC	REAL300028665419	0	56	0.0	-68.00	411.40	6.03	-61.97
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CN1CCC1	REAL300028665428	0	51	0.0	-69.97	385.49	5.07	-64.90
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[NH+]1CCC1	REAL300028665428	1	51	0.0	-69.97	385.49	5.07	-64.90
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC[NH+](CC)CC	REAL300028665458	0	59	0.0	-71.20	433.01	6.65	-64.55
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C(C)N1CCC1	REAL300028665514	0	54	0.0	-67.85	402.78	5.59	-62.26
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C(C)[NH+]1CCC1	REAL300028665514	1	54	0.0	-67.85	402.78	5.59	-62.26
CCC(CC(=O)N(CC)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300028665519	0	62	0.0	-71.50	446.54	7.23	-64.27
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C(C)(C)C[NH+](C)C	REAL300028665525	0	59	0.0	-69.97	415.32	5.93	-64.04
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)[C@H]1CCCC[N@@H+]1C	REAL300028665559	0	57	0.0	-72.90	406.77	5.82	-67.08
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC(O)C[NH+](C)C	REAL300028665581	0	57	0.0	-75.96	428.26	3.71	-72.25
C=CCC(C(=O)N(CC)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028665602	0	57	0.0	-65.93	415.29	6.10	-59.83
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1(C)CC[NH+](C)CC1	REAL300028665614	0	60	0.0	-72.53	414.94	5.98	-66.55
CCN(CC1CCN(C(=O)CSCC[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028665674	0	57	0.0	-70.93	442.57	6.83	-64.10
C[N@@H+]1CCCC1C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028665832	0	48	0.0	-61.94	359.81	3.90	-58.04
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028666034	1	55	0.0	-66.77	423.95	5.32	-61.45
CC(C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300028666038	0	57	0.0	-61.55	403.29	5.40	-56.15
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028666069	0	54	0.0	-64.17	384.24	5.05	-59.12
CC(C)[N@H+]1CCCC1C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028666069	1	54	0.0	-63.53	382.80	5.41	-58.12
O=C(NC[C@@H]1CCCCN1C(=O)C1CC2CCCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300028666091	0	55	0.0	-74.25	401.45	4.60	-69.65
O=C(NC[C@@H]1CCCCN1C(=O)C1CC2CCCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300028666091	1	55	0.0	-63.26	401.42	5.68	-57.58
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028666119	1	52	0.0	-65.55	403.72	4.83	-60.72
CC1=[NH+]C=CN1CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028666163	1	46	0.0	-59.97	366.83	4.68	-55.29
CC(C[NH+]1CCOCC1)C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028666165	1	55	0.0	-66.66	406.24	3.59	-63.07
O=C(CCC[NH+]1CCCCC1)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028666183	0	57	0.0	-66.38	422.90	6.35	-60.03
O=C(NC[C@@H]1CCCCN1C(=O)C1C[NH+]2CCC1CC2)C1=CC(=O)[N-]O1	REAL300028666224	0	52	0.0	-72.00	375.18	4.59	-67.41
O=C(NC[C@@H]1CCCCN1C(=O)C1CCCC2CCC[N@@H+]21)C1=CC(=O)[N-]O1	REAL300028666277	0	55	0.0	-62.63	390.15	5.12	-57.51
O=C(NC[C@@H]1CCCCN1C(=O)C1CCCC2CCC[N@H+]21)C1=CC(=O)[N-]O1	REAL300028666277	1	55	0.0	-57.27	399.78	5.70	-51.57
C[NH+](C)CCN1C=C(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C=N1	REAL300028666279	0	54	0.0	-76.35	419.32	4.24	-72.11
C[NH+](C)CCN1C=CC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300028666292	0	54	0.0	-86.12	418.79	4.89	-81.23
C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028666299	0	51	0.0	-65.45	368.95	4.65	-60.80
C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028666299	1	51	0.0	-64.38	373.69	4.88	-59.50
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028666301	1	55	0.0	-63.39	423.43	6.33	-57.06
CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028666304	0	54	0.0	-74.31	392.18	3.70	-70.61
CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028666304	1	54	0.0	-73.94	395.67	3.92	-70.02
CC[N@@H+]1CCOC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028666326	1	52	0.0	-78.99	388.34	3.81	-75.18
CC[N@H+]1CCOC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028666326	1	52	0.0	-71.51	381.02	3.57	-67.94
CC[NH+](CC)CC(F)C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028666374	0	53	0.0	-63.68	398.73	5.07	-58.61
CC1CCC(C)[NH+]1CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028666459	0	54	0.0	-66.65	383.87	4.63	-62.02
O=C(CCC[NH+]1CCCC1)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028666466	0	54	0.0	-65.89	407.22	5.64	-60.25
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300028666467	0	54	0.0	-71.72	414.28	6.18	-65.54
C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028666472	0	53	0.0	-72.35	402.95	5.67	-66.68
O=C(CC[NH+]1CCCCC1)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028666473	0	54	0.0	-72.94	402.50	4.62	-68.32
CC(C)C[N@@H+]1CCC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028666507	0	57	0.0	-64.34	417.11	5.90	-58.44
CC(C)C[N@H+]1CCC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028666507	1	57	0.0	-63.60	417.92	5.84	-57.76
CC(C)[N@@H+]1CCCC1CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028666516	0	57	0.0	-64.73	415.04	5.71	-59.02
CC(C)[N@H+]1CCCC1CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028666516	1	57	0.0	-51.92	396.40	5.40	-46.52
C[N@H+](CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300028666585	0	51	0.0	-63.06	383.62	5.05	-58.01
C[N@@H+](CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300028666585	1	51	0.0	-69.42	384.89	4.12	-65.30
CC(C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300028666652	0	57	0.0	-62.34	389.27	4.61	-57.73
CN(CCC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1=CC=[NH+]C=C1	REAL300028666720	0	53	0.0	-61.52	411.69	4.75	-56.77
C[N@@H+]1CCCC1CCC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028666740	0	54	0.0	-70.36	400.04	4.20	-66.16
C[N@H+]1CCCC1CCC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028666740	1	54	0.0	-70.67	399.90	4.19	-66.48
O=C(NC[C@@H]1CCCCN1C(=O)C1CCC2CCCC[N@@H+]21)C1=CC(=O)[N-]O1	REAL300028666756	0	55	0.0	-68.14	397.58	4.59	-63.55
O=C(NC[C@@H]1CCCCN1C(=O)C1CCC2CCCC[N@H+]21)C1=CC(=O)[N-]O1	REAL300028666756	1	55	0.0	-64.15	396.42	5.52	-58.63
O=C(CCCC[NH+]1CCCC1)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028666781	0	57	0.0	-67.27	428.73	6.42	-60.85
C[N@H+](CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300028666784	1	54	0.0	-71.13	414.13	6.65	-64.48
C[N@@H+](CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300028666784	1	54	0.0	-70.65	414.18	6.66	-63.99
C[NH+]1CCC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028666799	0	51	0.0	-70.75	380.73	4.43	-66.32
C[NH+](C)CC1=CC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=NO1	REAL300028666839	1	50	0.0	-72.71	392.12	4.34	-68.37
CC1=C(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300028666841	0	49	0.0	-70.37	389.90	6.64	-63.73
O=C(NC[C@@H]1CCCCN1C(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC(=O)[N-]O1	REAL300028667029	0	46	0.0	-68.09	365.97	6.22	-61.87
CC1=[NH+]C=CN1CCCC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028667042	1	52	0.0	-69.54	409.62	5.08	-64.46
O=C(CCCC[NH+]1CCOCC1)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028667046	1	58	0.0	-70.13	435.66	4.69	-65.44
C[NH+](C)CC1=CC=C(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028667050	0	54	0.0	-79.56	414.24	6.19	-73.37
O=C(CC[NH+]1CCOCC1)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028667051	1	52	0.0	-76.47	393.77	2.21	-74.26
CCC[NH+](CCC)CCCC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028667070	0	62	0.0	-63.71	459.17	7.26	-56.45
CC1=C[NH+]=CN1CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028667088	1	46	0.0	-60.66	367.16	5.41	-55.25
O=C(CN1C=[NH+]C2=C1CCCC2)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028667099	1	53	0.0	-69.63	409.59	6.16	-63.47
C[NH+](C)CC1(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL300028667131	0	60	0.0	-76.49	409.55	5.69	-70.80
C[N@H+](CCC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300028667135	0	60	0.0	-67.68	435.63	6.70	-60.98
C[N@@H+](CCC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300028667135	1	60	0.0	-68.94	435.62	6.70	-62.24
C[NH+](C)C1CCCC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028667176	0	57	0.0	-63.49	413.41	5.71	-57.78
C[N@@H+]1CCC(CC(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028667181	0	51	0.0	-75.43	384.63	3.76	-71.67
C[N@H+]1CCC(CC(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028667181	1	51	0.0	-75.38	384.95	3.79	-71.59
CCC(C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028667198	0	50	0.0	-61.51	364.77	3.90	-57.61
C[NH+](C)C1(CC(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300028667216	0	57	0.0	-71.75	395.87	5.24	-66.51
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC(=O)[N-]O1	REAL300028667269	1	46	0.0	-73.77	366.20	6.24	-67.53
O=C(NC[C@@H]1CCCCN1C(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1)C1=CC(=O)[N-]O1	REAL300028667306	1	49	0.0	-82.69	393.80	4.82	-77.87
C[NH+](C)CCCCC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028667333	0	53	0.0	-74.96	403.98	4.32	-70.64
CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028667352	0	53	0.0	-66.89	398.81	5.05	-61.84
CCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028667352	1	53	0.0	-66.92	398.81	5.08	-61.84
CCC[N@H+](C)CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028667356	0	50	0.0	-71.53	377.78	3.53	-68.00
CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028667356	1	50	0.0	-65.05	376.70	4.48	-60.57
O=C(NC[C@@H]1CCCCN1C(=O)C12CC[N@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300028667379	0	52	0.0	-73.73	370.13	3.91	-69.82
O=C(NC[C@@H]1CCCCN1C(=O)C12CC[N@@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300028667379	1	52	0.0	-66.08	371.36	3.93	-62.15
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028667432	0	48	0.0	-66.64	355.67	3.59	-63.05
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028667432	1	48	0.0	-67.97	360.56	2.95	-65.02
CC1CC2CCC(C(=O)N3CCCC[C@H]3CNC(=O)C3=CC(=O)[N-]O3)C[N@@H+]2C1	REAL300028667456	0	58	0.0	-64.56	422.17	6.18	-58.38
CC1CC2CCC(C(=O)N3CCCC[C@H]3CNC(=O)C3=CC(=O)[N-]O3)C[N@H+]2C1	REAL300028667456	1	58	0.0	-61.95	422.20	6.23	-55.72
CCCCCC[N@H+](C)CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028667498	0	59	0.0	-66.40	441.19	6.82	-59.58
CCCCCC[N@@H+](C)CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028667498	1	59	0.0	-66.20	441.20	6.83	-59.37
CC[NH+](CC)CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028667514	0	50	0.0	-61.30	372.14	4.37	-56.93
CCC[N@@H+]1CCCC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028667541	0	57	0.0	-65.84	419.44	5.97	-59.87
CCC[N@H+]1CCCC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028667541	1	57	0.0	-63.41	418.05	5.89	-57.52
CC(C)[N@@H+]1CCOC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028667557	1	55	0.0	-73.31	398.23	3.15	-70.16
CC(C)[N@H+]1CCOC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028667557	1	55	0.0	-76.34	404.57	4.24	-72.10
CC1CC[NH+](CC(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028667594	0	54	0.0	-67.15	399.80	5.52	-61.63
O=C(NC[C@@H]1CCCCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C1=CC(=O)[N-]O1	REAL300028667619	1	49	0.0	-74.09	394.61	4.19	-69.90
C[NH+]1CCC(OCC(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028667626	0	55	0.0	-79.60	418.48	4.13	-75.47
C[NH+](C)CC1(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028667641	0	51	0.0	-64.11	385.37	4.63	-59.48
CC1=[NH+]C=C2CCC(C(=O)N3CCCC[C@H]3CNC(=O)C3=CC(=O)[N-]O3)CN21	REAL300028667642	1	53	0.0	-61.67	404.54	5.69	-55.98
CC(C)[NH+]1CCC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028667727	0	57	0.0	-69.78	408.72	5.46	-64.32
C[NH+]1CCC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028667752	0	51	0.0	-70.75	380.73	4.43	-66.32
CCC(C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300028667788	0	56	0.0	-57.81	400.13	5.20	-52.61
CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028667874	0	50	0.0	-66.05	377.31	4.31	-61.74
CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028667874	1	50	0.0	-66.02	377.31	4.33	-61.69
CC1CCC[N@@H+]1CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028667934	0	51	0.0	-61.70	376.10	4.44	-57.26
CC1CCC[N@H+]1CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028667934	1	51	0.0	-63.18	382.60	4.85	-58.33
CC1CC[N@H+](CC(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028667936	0	51	0.0	-62.39	383.50	4.69	-57.70
CC1CC[N@@H+](CC(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028667936	1	51	0.0	-70.57	383.79	3.86	-66.71
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028667937	0	57	0.0	-67.34	415.64	4.29	-63.05
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028667937	1	57	0.0	-63.04	414.40	5.15	-57.89
CC1=[NH+]C=C2CC(C(=O)N3CCCC[C@H]3CNC(=O)C3=CC(=O)[N-]O3)CCN21	REAL300028667938	1	53	0.0	-66.81	404.29	5.66	-61.15
CC1(C)CC[N@H+](CC(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028667941	0	54	0.0	-65.55	402.67	5.30	-60.25
CC1(C)CC[N@@H+](CC(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028667941	1	54	0.0	-70.87	403.63	4.36	-66.51
C[N@H+](CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300028667942	0	56	0.0	-63.86	404.15	5.45	-58.41
C[N@@H+](CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300028667942	1	56	0.0	-62.41	406.84	5.50	-56.91
CC[C@@H](C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028667951	0	50	0.0	-57.54	363.46	3.80	-53.74
CC(COCC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCC1	REAL300028667958	0	58	0.0	-69.43	437.53	4.75	-64.68
O=C(NC[C@@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1)C1=CC(=O)[N-]O1	REAL300028668035	0	58	0.0	-70.92	427.92	6.76	-64.16
C[NH+]1CCC(O)(CC(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028668160	0	55	0.0	-64.24	405.03	3.28	-60.96
COCC[N@@H+]1CCCC1CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028668166	0	58	0.0	-64.72	426.03	4.35	-60.37
COCC[N@H+]1CCCC1CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028668166	1	58	0.0	-68.12	427.51	4.02	-64.10
C[NH+](C)CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028668173	0	44	0.0	-71.78	338.50	2.12	-69.66
O=C(C[NH+]1CCC(CO)CC1)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028668177	0	55	0.0	-71.87	410.64	2.21	-69.66
O=C(C[NH+]1CCCCCC1)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028668181	0	54	0.0	-71.83	390.99	4.48	-67.35
CN1C=C[N+](CC(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300028668186	0	46	0.0	-67.61	369.32	5.61	-62.00
C[N@@H+]1CCCC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028668196	0	51	0.0	-54.62	372.02	4.73	-49.89
C[N@H+]1CCCC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028668196	1	51	0.0	-54.34	372.09	4.69	-49.65
O=C(NC[C@@H]1CCCCN1C(=O)C1CCC[N@@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300028668201	0	52	0.0	-66.76	393.14	4.47	-62.29
O=C(NC[C@@H]1CCCCN1C(=O)C1CCC[N@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300028668201	1	52	0.0	-66.67	386.40	4.28	-62.39
CC(C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300028668231	1	48	0.0	-62.77	363.30	3.89	-58.88
CCC(CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300028668240	0	56	0.0	-79.93	413.07	4.78	-75.15
O=C(C[NH+]1CCC(O)CC1)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028668285	1	52	0.0	-72.63	390.06	1.56	-71.07
C[N@H+](CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028668287	0	48	0.0	-60.89	366.46	4.45	-56.44
C[N@@H+](CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028668287	1	48	0.0	-68.55	367.49	3.51	-65.04
CC(C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300028668288	1	56	0.0	-57.04	404.59	2.61	-54.43
C[NH+]1CC(CC(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028668311	0	48	0.0	-62.60	368.64	3.92	-58.68
O=C(NC[C@@H]1CCCCN1C(=O)C1CC[N@@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300028668315	0	55	0.0	-66.74	408.56	5.96	-60.78
O=C(NC[C@@H]1CCCCN1C(=O)C1CC[N@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300028668315	1	55	0.0	-70.10	408.87	5.79	-64.31
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028668322	0	54	0.0	-68.68	398.74	3.76	-64.92
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028668322	1	54	0.0	-66.69	375.79	3.92	-62.77
O=C(NC[C@@H]1CCCCN1C(=O)C1CCN(C2=CC=[NH+]C=C2)C1)C1=CC(=O)[N-]O1	REAL300028668332	0	54	0.0	-61.63	412.84	3.59	-58.04
C[C@@H](C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028668335	0	47	0.0	-60.80	351.67	3.41	-57.39
CCC1CCC[N@H+](CC(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028668379	0	57	0.0	-66.72	418.43	6.18	-60.54
CCC1CCC[N@@H+](CC(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028668379	1	57	0.0	-71.72	419.09	5.23	-66.49
C[NH+](C)CC1=CC=C(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)N1	REAL300028668387	0	52	0.0	-79.47	401.53	4.64	-74.83
C[NH+]1C2CCC1CC(CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028668399	0	58	0.0	-74.53	404.21	4.62	-69.91
[NH2+]=C1SC=CN1CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028668438	0	44	0.0	-60.68	364.53	3.25	-57.43
C[N@H+](CCO)CCC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028668448	0	51	0.0	-66.58	387.66	1.12	-65.46
C[N@@H+](CCO)CCC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028668448	1	51	0.0	-64.04	387.21	1.15	-62.89
C[C@@H](C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028668449	0	47	0.0	-60.80	351.67	3.41	-57.39
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028668453	0	51	0.0	-62.93	365.03	4.20	-58.73
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028668453	1	51	0.0	-61.84	377.64	4.62	-57.22
CC1CN2CC[N@@H+]1CC2C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028668460	0	54	0.0	-77.69	387.89	0.69	-77.00
CC1CN2CC[N@H+]1CC2C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028668460	1	54	0.0	-74.94	386.54	1.63	-73.31
O=C(CC1=CC2=C[NH+]=CN2C=C1)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028668517	0	49	0.0	-60.44	391.81	7.29	-53.15
C[N@H+](CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300028668545	0	52	0.0	-70.98	396.68	5.28	-65.70
C[N@@H+](CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300028668545	1	52	0.0	-75.33	397.39	4.37	-70.96
O=C(C[NH+]1CCC1)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028668546	1	45	0.0	-71.87	348.86	2.60	-69.27
C[NH+](C)CC1=CC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=CC=N1	REAL300028668578	1	53	0.0	-68.87	410.08	4.73	-64.14
C[N@@H+]1CCC(=CC(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028668579	0	49	0.0	-65.30	374.87	4.64	-60.66
C[N@H+]1CCC(=CC(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028668579	1	49	0.0	-66.57	374.78	4.64	-61.93
O=C(NC[C@@H]1CCCCN1C(=O)C1C[NH+](C2CCCCC2)C1)C1=CC(=O)[N-]O1	REAL300028668603	0	58	0.0	-70.67	429.49	6.39	-64.28
C[NH+](C)CCOCC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028668616	0	51	0.0	-70.48	394.34	3.10	-67.38
CCCCC[N@H+](C)CCC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028668623	0	59	0.0	-75.19	442.71	5.70	-69.49
CCCCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028668623	1	59	0.0	-67.70	441.81	6.64	-61.06
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300028668632	0	55	0.0	-72.40	413.33	3.75	-68.65
C=CCC(C)(C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028668644	0	54	0.0	-55.56	383.79	4.57	-50.99
C[S+](C)CCC(O)C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028668649	0	50	0.0	-76.77	398.15	2.30	-74.47
CN1CC[N@H+](C)CC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028668692	0	56	0.0	-59.61	405.49	2.97	-56.64
CN1CC[N@@H+](C)CC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028668692	1	56	0.0	-59.61	405.49	2.97	-56.64
CC(C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300028668693	0	55	0.0	-64.31	406.68	1.81	-62.50
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028668717	0	55	0.0	-65.30	394.81	3.17	-62.13
C[N@H+]1CCCC(O)(CC(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028668717	1	55	0.0	-65.30	394.81	3.17	-62.13
CC1CN(CC(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028668721	0	48	0.0	-71.71	369.76	3.23	-68.48
CC1C[NH+](CC(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028668721	1	48	0.0	-71.71	369.76	3.23	-68.48
CN(CCO)CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028668749	0	48	0.0	-65.42	365.55	0.50	-64.92
C[N@H+](CCO)CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028668749	1	48	0.0	-65.84	365.44	0.43	-65.41
C[N@@H+](CCO)CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028668749	1	48	0.0	-65.84	365.44	0.43	-65.41
C[NH+]1C2CCC1CC(=CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028668768	0	56	0.0	-60.91	409.43	5.92	-54.99
O=C(NC[C@@H]1CCCCN1C(=O)C1C[N@@H+]2CCN1CCC2)C1=CC(=O)[N-]O1	REAL300028668772	0	54	0.0	-82.47	381.60	1.42	-81.05
O=C(NC[C@@H]1CCCCN1C(=O)C1C[N@H+]2CCN1CCC2)C1=CC(=O)[N-]O1	REAL300028668772	1	54	0.0	-82.47	381.60	1.42	-81.05
CC[N@@H+]1CCCC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028668779	0	54	0.0	-56.23	389.88	5.37	-50.86
CC[N@H+]1CCCC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028668779	1	54	0.0	-56.23	389.88	5.37	-50.86
CC(CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300028668781	0	53	0.0	-73.83	395.28	4.18	-69.65
CC[N@H+](C)CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028668796	0	47	0.0	-63.58	354.99	3.71	-59.87
CC[N@H+](CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028668851	0	51	0.0	-62.24	386.03	5.10	-57.14
CC[N@@H+](CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028668851	1	51	0.0	-62.16	383.39	5.00	-57.16
CC[NH+](CC)CCC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028668870	0	53	0.0	-66.84	390.84	4.68	-62.16
C[NH+]1CCC(=CC(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028668888	0	52	0.0	-64.83	390.10	5.39	-59.44
CC1(C)C[NH+](CC(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028668901	1	51	0.0	-72.08	389.08	3.74	-68.34
O=C(CCCC[NH+]1CCCCC1)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028668907	0	60	0.0	-73.45	445.50	6.20	-67.25
CC1(O)CC[N@H+](CC(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028668935	0	52	0.0	-63.17	393.34	1.47	-61.70
CC1(O)CC[N@@H+](CC(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028668935	1	52	0.0	-66.21	393.97	1.48	-64.73
C[NH+](C)CC=CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028668945	0	48	0.0	-67.32	373.17	4.33	-62.99
CC(OCC[NH+](C)C)C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028668965	0	54	0.0	-62.39	408.10	4.28	-58.11
C[NH+](C)CCOCCC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028668976	0	54	0.0	-72.67	414.90	2.94	-69.73
COCC[N@H+](C)CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028668977	1	51	0.0	-65.80	387.65	2.81	-62.99
COCC[N@@H+](C)CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028668977	1	51	0.0	-66.07	387.81	2.90	-63.17
COCCCC[N@H+](C)CCC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669004	0	60	0.0	-78.21	454.88	3.99	-74.22
COCCCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669004	1	60	0.0	-70.93	453.98	4.93	-66.00
CC(CCC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028669027	0	53	0.0	-62.40	393.66	4.82	-57.58
CC[N@@H+]1CCC1C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669037	1	48	0.0	-70.93	369.13	3.02	-67.91
CC[N@H+]1CCC1C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669037	1	48	0.0	-63.93	357.11	3.48	-60.45
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028669049	0	57	0.0	-58.08	405.50	5.81	-52.27
CC(C)[N@H+]1CCCC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028669049	1	57	0.0	-64.24	412.71	5.66	-58.58
O=C(C[N@H+]1CCCC1CO)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669063	0	52	0.0	-69.89	387.70	0.17	-69.72
O=C(C[N@@H+]1CCCC1CO)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669063	1	52	0.0	-67.72	384.41	0.68	-67.04
O=C(NC[C@@H]1CCCCN1C(=O)C1CC2CCCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300028669085	0	55	0.0	-74.25	401.45	4.60	-69.65
O=C(NC[C@@H]1CCCCN1C(=O)C1CC2CCCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300028669085	1	55	0.0	-63.26	401.42	5.68	-57.58
C[NH+](C)CC1=CNC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300028669094	0	52	0.0	-69.39	401.47	4.48	-64.91
CC(C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300028669110	0	55	0.0	-70.19	403.81	1.90	-68.29
C=CCC(C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028669124	0	51	0.0	-70.59	384.40	3.71	-66.88
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669136	0	54	0.0	-57.76	401.47	5.08	-52.68
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669136	1	54	0.0	-60.06	395.29	4.81	-55.25
C[NH+](C)CCCCCC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669141	0	56	0.0	-73.96	425.48	5.10	-68.86
O=C(C[NH+]1CC2CC2C1)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669152	0	49	0.0	-72.00	374.16	3.99	-68.01
CC1C[N@@H+]2CCN1C(C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028669185	0	54	0.0	-81.65	388.01	0.88	-80.77
CC1C[N@H+]2CCN1C(C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028669185	1	54	0.0	-62.75	373.40	3.52	-59.23
CCCC(C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028669186	0	53	0.0	-62.54	385.97	4.66	-57.88
CC[NH+](CC)CCSCC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669227	0	57	0.0	-76.19	440.36	5.49	-70.70
C[N@@H+]1CCCCC1C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669236	0	51	0.0	-62.93	364.97	4.21	-58.72
C[N@H+]1CCCCC1C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669236	1	51	0.0	-61.64	377.24	4.67	-56.97
C[N@H+]1CC=C(CC(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028669282	0	52	0.0	-68.89	397.76	4.50	-64.39
C[N@@H+]1CC=C(CC(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028669282	1	52	0.0	-66.18	397.76	4.50	-61.68
O=C(CC1([NH+]2CCCC2)CC1)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669290	0	55	0.0	-62.37	400.38	5.71	-56.66
CN(C)CC1=CC=C(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300028669344	0	51	0.0	-79.73	397.60	4.79	-74.94
C[NH+](C)CC1=CC=C(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300028669344	1	51	0.0	-79.73	397.60	4.79	-74.94
O=C(C=CC[NH+]1CCCC1)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669364	0	52	0.0	-66.95	398.25	5.50	-61.45
O=C(NC[C@@H]1CCCCN1C(=O)C1CC[NH+](C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300028669387	0	55	0.0	-68.37	410.06	5.83	-62.54
O=C(CC[NH+]1CCCC1)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669409	0	51	0.0	-67.29	384.77	4.77	-62.52
O=C(C[N@@H+]1CC2CCC1C2)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669471	0	52	0.0	-62.43	383.88	5.16	-57.27
O=C(C[N@H+]1CC2CCC1C2)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669471	1	52	0.0	-62.43	383.88	5.16	-57.27
CC(C)[NH+]1CCC(CC(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028669482	0	60	0.0	-69.08	432.42	5.50	-63.58
O=C(C=C1C[NH+]2CCC1CC2)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669527	0	53	0.0	-52.71	392.20	5.45	-47.26
O=C(CN1CC2C=CC1C2)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669537	0	50	0.0	-61.92	376.67	4.94	-56.98
O=C(C[N@@H+]1CC2C=CC1C2)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669537	1	50	0.0	-69.96	378.04	4.12	-65.84
O=C(C[N@H+]1CC2C=CC1C2)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669537	1	50	0.0	-69.96	378.04	4.12	-65.84
CC(C[NH+](C)C)C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669587	0	50	0.0	-65.14	372.97	4.12	-61.02
C[N@@H+]1CCCCC1CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669675	0	54	0.0	-68.23	395.30	5.26	-62.97
C[N@H+]1CCCCC1CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669675	1	54	0.0	-68.23	395.30	5.26	-62.97
CC1=C2C=C(C(=O)N3CCCC[C@H]3CNC(=O)C3=CC(=O)[N-]O3)C=CN2C=N1	REAL300028669693	0	49	0.0	-72.35	388.13	6.80	-65.55
CC1=C2C=C(C(=O)N3CCCC[C@H]3CNC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300028669693	1	49	0.0	-72.35	388.13	6.80	-65.55
CC1CCN1CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669698	0	48	0.0	-68.65	363.79	2.91	-65.74
CC1CC[N@@H+]1CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669698	1	48	0.0	-69.04	364.22	2.93	-66.11
CC1CC[N@H+]1CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669698	1	48	0.0	-69.04	364.22	2.93	-66.11
C[NH+](C)CC(O)CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669702	0	51	0.0	-77.33	390.74	1.06	-76.27
CC1CN(C)CC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300028669734	0	52	0.0	-74.07	384.46	3.66	-70.41
CC1C[N@H+](C)CC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300028669734	1	52	0.0	-83.06	392.15	3.85	-79.21
CC1C[N@@H+](C)CC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300028669734	1	52	0.0	-83.06	392.15	3.85	-79.21
O=C(CC[NH+]1CCC(O)CC1)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669745	0	55	0.0	-76.72	413.26	1.23	-75.49
CCC[N@@H+]1CCCCC1C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669748	0	57	0.0	-63.40	408.00	5.62	-57.78
CCC[N@H+]1CCCCC1C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669748	1	57	0.0	-63.40	408.00	5.62	-57.78
CC[NH+]1CCN(CCC(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028669753	0	59	0.0	-74.41	437.11	2.86	-71.55
CCN1CC[NH+](CCC(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028669753	1	59	0.0	-74.41	437.11	2.86	-71.55
O=C(NC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1=CC(=O)[N-]O1	REAL300028669756	0	58	0.0	-58.76	408.74	6.36	-52.40
O=C(NC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1=CC(=O)[N-]O1	REAL300028669756	1	58	0.0	-58.76	408.74	6.36	-52.40
CC(C)C[NH+]1CCC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028669799	0	60	0.0	-71.91	434.88	6.61	-65.30
C[NH+](C)C1CCN(CC(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028669818	0	59	0.0	-61.46	430.79	3.76	-57.70
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028669839	0	51	0.0	-72.73	387.37	3.83	-68.90
CC(CC[NH+](C)C)C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669847	0	53	0.0	-65.79	395.00	4.76	-61.03
C[N@H+](CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300028669876	0	55	0.0	-67.66	409.52	1.33	-66.33
C[N@@H+](CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300028669876	1	55	0.0	-69.49	409.49	1.33	-68.16
C#CC[N@H+]1CCCCC1C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669883	1	53	0.0	-64.33	393.66	5.50	-58.83
C#CC[N@@H+]1CCCCC1C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669883	1	53	0.0	-60.21	400.33	5.76	-54.45
C[NH+]1CCN(CC(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028669888	1	53	0.0	-71.01	397.52	1.62	-69.39
CC[NH+]1CCN(CC(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028669897	0	56	0.0	-63.62	414.22	3.24	-60.38
NC(=[NH2+])SCC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669923	0	42	0.0	-74.70	346.05	-0.85	-75.55
CCN1CCOCC1CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669966	0	55	0.0	-64.66	400.54	3.37	-61.29
CC[N@@H+]1CCOCC1CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669966	1	55	0.0	-73.18	401.58	2.46	-70.72
CC[N@H+]1CCOCC1CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669966	1	55	0.0	-73.18	401.58	2.46	-70.72
CC1CCCC(C)[NH+]1CCC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669982	0	60	0.0	-70.70	428.72	5.28	-65.42
C[NH+](C)C1CCC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028669985	0	57	0.0	-75.04	412.34	5.67	-69.37
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028669989	0	57	0.0	-61.74	405.76	5.56	-56.18
C[N@@H+]1CC=CCC1CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669990	0	52	0.0	-68.73	387.76	5.18	-63.55
C[N@H+]1CC=CCC1CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669990	1	52	0.0	-68.73	387.76	5.18	-63.55
C[C@@H](OCC[NH+](C)C)C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028670015	0	54	0.0	-63.15	408.36	4.38	-58.77
C[NH+]1C2CCC1CC(C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028670043	0	55	0.0	-64.89	393.92	5.08	-59.81
CC(C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300028670172	1	52	0.0	-64.17	393.04	4.96	-59.21
O=C(NC[C@@H]1CCCCN1C(=O)C1C[NH+](C2CCOCC2)C1)C1=CC(=O)[N-]O1	REAL300028670176	0	56	0.0	-76.20	420.49	3.07	-73.13
C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028670186	1	48	0.0	-60.65	351.14	3.64	-57.01
O=C(CC[N@@H+]1CCC(F)C1)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028670195	1	51	0.0	-78.66	393.26	3.99	-74.67
O=C(CC[NH+]1CCCCCC1)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028670215	0	57	0.0	-68.50	411.49	5.74	-62.76
O=C(C[NH+]1CCCCC1)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028670217	0	51	0.0	-71.15	379.84	3.97	-67.18
CC1C(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028670225	0	51	0.0	-75.00	373.90	3.65	-71.35
CC1C(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028670225	1	51	0.0	-73.58	374.49	3.14	-70.44
C[N@@H+]1CCCCC1CCC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028670228	0	57	0.0	-73.39	411.36	5.83	-67.56
C[N@H+]1CCCCC1CCC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028670228	1	57	0.0	-69.14	411.22	5.83	-63.31
O=C(NC[C@@H]1CCCCN1C(=O)C1CC[N@@H+]2CCOCC12)C1=CC(=O)[N-]O1	REAL300028670258	0	53	0.0	-77.43	393.92	2.27	-75.16
O=C(NC[C@@H]1CCCCN1C(=O)C1CC[N@H+]2CCOCC12)C1=CC(=O)[N-]O1	REAL300028670258	1	53	0.0	-77.80	394.64	2.27	-75.53
CC1=[NH+]C=C2C=CC(C(=O)N3CCCC[C@H]3CNC(=O)C3=CC(=O)[N-]O3)=CN21	REAL300028670265	0	49	0.0	-65.18	387.46	5.98	-59.20
CN1CCOCC1CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028670285	0	52	0.0	-74.22	387.62	2.86	-71.36
C[N@@H+]1CCOCC1CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028670285	1	52	0.0	-53.59	380.32	2.77	-50.82
C[N@H+]1CCOCC1CC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028670285	1	52	0.0	-74.22	387.62	2.86	-71.36
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)N1	REAL300028670296	1	52	0.0	-61.60	407.63	4.38	-57.22
O=C(NC[C@@H]1CCCCN1C(=O)C1CCN1CC1=CC=CC=C1)C1=CC(=O)[N-]O1	REAL300028670307	0	55	0.0	-70.91	420.14	5.69	-65.22
O=C(NC[C@@H]1CCCCN1C(=O)C1CC[N@@H+]1CC1=CC=CC=C1)C1=CC(=O)[N-]O1	REAL300028670307	1	55	0.0	-76.01	429.66	6.11	-69.90
O=C(NC[C@@H]1CCCCN1C(=O)C1CC[N@H+]1CC1=CC=CC=C1)C1=CC(=O)[N-]O1	REAL300028670307	1	55	0.0	-70.91	420.14	5.69	-65.22
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028670311	0	60	0.0	-60.15	418.98	6.44	-53.71
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028670311	1	60	0.0	-62.09	435.44	6.52	-55.57
C[N@H+]1CCCC1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028670475	1	48	0.0	-54.77	360.47	3.95	-50.82
CN1CCOC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028670501	0	49	0.0	-75.56	371.47	3.20	-72.36
C[N@@H+]1CCOC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028670501	1	49	0.0	-65.86	371.52	3.20	-62.66
C[N@H+]1CCOC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028670501	1	49	0.0	-75.56	371.47	3.20	-72.36
CC1=[NH+]C=CN1CCCC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028670672	1	52	0.0	-59.36	404.89	5.81	-53.55
O=C(CCCC[NH+]1CCOCC1)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028670676	1	58	0.0	-66.86	432.39	4.50	-62.36
C[NH+](C)CC1=CC=C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028670682	0	54	0.0	-69.85	412.03	6.40	-63.45
O=C(CC[NH+]1CCOCC1)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028670683	1	52	0.0	-61.65	388.87	2.88	-58.77
CCC[NH+](CCC)CCCC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028670708	0	62	0.0	-62.32	456.53	7.06	-55.26
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+]1CCC2	REAL300028670725	0	52	0.0	-51.30	378.19	4.93	-46.37
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC2=C[NH+]=CN2C=C1	REAL300028670743	1	46	0.0	-67.22	364.51	6.42	-60.80
C[NH+](C)C1CCCC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028670817	0	57	0.0	-60.67	406.45	5.58	-55.09
C[N@@H+]1CCC(CC(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028670822	0	51	0.0	-65.84	380.51	4.47	-61.37
C[N@H+]1CCC(CC(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028670822	1	51	0.0	-62.11	380.40	4.50	-57.61
CN(C)C1=CC=[NH+]C=C1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028670836	0	50	0.0	-62.99	384.63	3.71	-59.28
CCC(C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028670842	0	50	0.0	-56.64	363.98	3.89	-52.75
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300028670851	1	49	0.0	-74.96	393.77	4.34	-70.62
CC1CC2CCC(C(=O)NC[C@@H]3CCCCN3C(=O)C3=CC(=O)[N-]O3)C[N@@H+]2C1	REAL300028670901	0	58	0.0	-51.61	414.77	6.47	-45.14
CC1CC2CCC(C(=O)NC[C@@H]3CCCCN3C(=O)C3=CC(=O)[N-]O3)C[N@H+]2C1	REAL300028670901	1	58	0.0	-54.26	416.28	6.47	-47.79
C[NH+](C)CCCCC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028670934	0	53	0.0	-65.71	399.26	5.05	-60.66
CC(C)C(C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028670958	0	53	0.0	-72.55	386.46	3.87	-68.68
CCC[N@H+](C)CCC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028670960	0	53	0.0	-60.74	395.72	4.85	-55.89
CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028670960	1	53	0.0	-60.14	395.50	4.86	-55.28
CCC[N@H+](C)CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028670966	0	50	0.0	-56.42	373.35	4.33	-52.09
CCC[N@@H+](C)CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028670966	1	50	0.0	-56.32	373.12	4.35	-51.97
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C12CC[N@H+](C1)CCC2	REAL300028670996	0	52	0.0	-71.65	376.37	4.06	-67.59
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C12CC[N@@H+](C1)CCC2	REAL300028670996	1	52	0.0	-64.20	376.50	4.15	-60.05
CCCCCC[N@H+](C)CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028671045	0	59	0.0	-57.28	437.85	6.66	-50.62
CCCCCC[N@@H+](C)CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028671045	1	59	0.0	-57.19	437.62	6.69	-50.50
CC[NH+](CC)C(C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300028671054	0	59	0.0	-53.68	416.06	5.96	-47.72
CC1CC[NH+](CC(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028671096	0	54	0.0	-55.84	396.69	5.40	-50.44
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300028671127	1	49	0.0	-73.48	393.47	4.34	-69.14
C[NH+]1CCC(OCC(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028671136	0	55	0.0	-69.09	413.84	5.03	-64.06
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@@H+]2C1	REAL300028671206	0	55	0.0	-57.57	400.60	5.56	-52.01
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@H+]2C1	REAL300028671206	1	55	0.0	-58.51	401.81	5.60	-52.91
C[NH+](C)CC1(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028671220	0	51	0.0	-69.72	386.27	4.54	-65.18
CC1=[NH+]C=C2CCC(C(=O)NC[C@@H]3CCCCN3C(=O)C3=CC(=O)[N-]O3)CN21	REAL300028671221	1	53	0.0	-56.41	401.78	5.65	-50.76
CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028671233	0	57	0.0	-58.36	409.38	5.53	-52.83
CC[N@H+](C)CCC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028671272	0	50	0.0	-60.02	373.98	4.12	-55.90
CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028671272	1	50	0.0	-60.02	374.22	4.14	-55.88
CC(C)(C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300028671305	0	57	0.0	-75.01	405.20	4.92	-70.09
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCC1CC2	REAL300028671324	0	52	0.0	-69.19	375.27	4.68	-64.51
C[NH+]1CCC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028671419	0	51	0.0	-66.91	378.71	4.58	-62.33
CC(C)[C@H](C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028671442	0	53	0.0	-51.56	384.03	4.91	-46.65
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CC[NH+](CC2CC2)CC1	REAL300028671536	0	58	0.0	-62.75	425.31	6.34	-56.41
CC[NH+](CC)CC(F)C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028671583	0	53	0.0	-53.82	395.80	4.77	-49.05
C[NH+](C)CC1=C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)SC=C1	REAL300028671584	0	51	0.0	-53.65	399.76	5.50	-48.15
CC(C)C[N@@H+]1CCC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028671630	0	57	0.0	-56.60	418.57	5.91	-50.69
CC(C)C[N@H+]1CCC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028671630	1	57	0.0	-60.54	418.58	5.88	-54.66
C[NH+](C)C1(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300028671634	0	51	0.0	-80.10	369.53	4.02	-76.08
CCC(C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300028671671	0	56	0.0	-52.86	395.79	5.03	-47.83
CC1CCC[N@@H+]1CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028671702	0	51	0.0	-54.32	372.83	4.28	-50.04
CC1CCC[N@H+]1CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028671702	1	51	0.0	-53.44	372.73	4.27	-49.17
CC(C)C1=[NH+]C=CN1CCC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028671790	1	55	0.0	-55.87	419.53	6.05	-49.82
CC(C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300028671797	0	57	0.0	-54.65	403.38	5.36	-49.29
CC(C)[N@@H+]1CCCCC1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028671799	0	57	0.0	-54.51	407.05	5.44	-49.07
CC(C)[N@H+]1CCCCC1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028671799	1	57	0.0	-56.24	397.24	5.26	-50.98
CC(C)[N@@H+]1CCCC1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028671833	0	54	0.0	-61.32	384.65	5.42	-55.90
CC(C)[N@H+]1CCCC1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028671833	1	54	0.0	-53.10	392.73	5.06	-48.04
C[NH+](C)C(CN1C=CC=N1)C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028671839	1	54	0.0	-58.45	410.22	4.81	-53.64
CC(C)[N@@H+]1CCCC1CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028671844	0	57	0.0	-57.18	404.95	5.07	-52.11
CC(C)[N@H+]1CCCC1CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028671844	1	57	0.0	-58.70	412.51	5.45	-53.25
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@@H+]1C1CCCC1	REAL300028671845	0	58	0.0	-58.51	411.48	6.10	-52.41
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@H+]1C1CCCC1	REAL300028671845	1	58	0.0	-58.77	420.41	6.17	-52.60
CC(C)[C@@H](C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028671866	0	53	0.0	-72.72	386.49	3.90	-68.82
CC1CC[N@H+](CC(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028671900	0	51	0.0	-55.85	380.12	4.57	-51.28
CC1CC[N@@H+](CC(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028671900	1	51	0.0	-55.30	380.29	4.67	-50.63
CC(C)(C)[N@@H+]1CCC(F)(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028671901	0	57	0.0	-51.56	414.31	5.12	-46.44
CC(C)(C)[N@H+]1CCC(F)(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028671901	1	57	0.0	-52.06	414.35	5.24	-46.82
CC1=[NH+]C=C2CC(C(=O)NC[C@@H]3CCCCN3C(=O)C3=CC(=O)[N-]O3)CCN21	REAL300028671903	1	53	0.0	-61.03	402.63	5.65	-55.38
CC1(C)CC[N@H+](CC(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028671906	0	54	0.0	-55.39	399.12	5.17	-50.22
CC1(C)CC[N@@H+](CC(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028671906	1	54	0.0	-57.56	399.64	5.04	-52.52
C[N@H+](CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300028671907	0	56	0.0	-55.25	401.30	5.37	-49.88
C[N@@H+](CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300028671907	1	56	0.0	-57.78	409.06	5.68	-52.10
CC[C@@H](C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028671918	0	50	0.0	-55.74	362.57	4.05	-51.69
CC(COCC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCC1	REAL300028671926	0	58	0.0	-58.66	432.04	5.69	-52.97
CN(CCC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=[NH+]C=C1	REAL300028672088	0	53	0.0	-64.03	408.86	4.59	-59.44
CC1=[NH+]C=CN1CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028672214	1	46	0.0	-56.40	363.53	4.36	-52.04
CC(C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028672216	0	55	0.0	-60.79	405.47	3.62	-57.17
O=C(CCC[NH+]1CCCCC1)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028672238	0	57	0.0	-61.85	419.63	6.15	-55.70
C[NH+](C)CC1=CC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)=NO1	REAL300028672259	1	50	0.0	-71.99	392.18	3.89	-68.10
CC1=C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300028672261	0	49	0.0	-63.41	377.79	6.71	-56.70
CC(C)C1=[NH+]C=CN1CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028672310	1	52	0.0	-56.15	399.77	5.49	-50.66
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CCCC2CCC[N@@H+]21	REAL300028672365	0	55	0.0	-50.97	398.42	5.78	-45.19
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CCCC2CCC[N@H+]21	REAL300028672365	1	55	0.0	-55.99	390.98	5.37	-50.62
CC[N@@H+]1CCOC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028672402	1	52	0.0	-58.51	389.31	4.00	-54.51
CC[N@H+]1CCOC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028672402	1	52	0.0	-77.54	383.19	2.85	-74.69
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CN2C=[NH+]C=C2C=C1	REAL300028672480	0	46	0.0	-64.07	364.27	6.42	-57.65
CC1=C[NH+]=CN1CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028672485	1	46	0.0	-62.76	363.89	5.10	-57.66
C[NH+](C)CCN1C=C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C=N1	REAL300028672490	0	54	0.0	-72.57	418.49	4.39	-68.18
C[NH+](C)CCN1C=CC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)=N1	REAL300028672505	0	54	0.0	-71.16	418.86	4.41	-66.75
C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028672512	0	51	0.0	-64.07	371.49	4.11	-59.96
C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028672512	1	51	0.0	-66.48	375.96	4.33	-62.15
CCC1=[NH+]C=CN1C(C)CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028672515	1	55	0.0	-55.94	419.86	6.15	-49.79
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028672518	0	54	0.0	-64.25	391.24	4.60	-59.65
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028672518	1	54	0.0	-65.78	396.25	4.86	-60.92
CC1CCC(C)[NH+]1CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028672539	0	54	0.0	-54.04	393.25	4.88	-49.16
O=C(CCC[NH+]1CCCC1)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028672546	0	54	0.0	-62.08	402.93	5.39	-56.69
C[NH+](C)CC1=CC=CC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300028672547	0	54	0.0	-70.19	412.23	6.39	-63.80
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028672555	0	53	0.0	-64.03	403.88	5.78	-58.25
O=C(CC[NH+]1CCCCC1)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028672556	0	54	0.0	-58.97	397.91	5.33	-53.64
C[NH+](C)CC1=CC=CC=C1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028672561	0	54	0.0	-52.49	405.01	6.62	-45.87
CC[N@@H+]1CCCCC1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028672570	0	54	0.0	-56.50	393.47	5.14	-51.36
CC[N@H+]1CCCCC1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028672570	1	54	0.0	-49.78	393.43	5.12	-44.66
CC(C)C(C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300028672571	0	60	0.0	-70.85	427.78	5.80	-65.05
C[NH+](C)C(C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300028672574	1	54	0.0	-60.09	408.80	6.39	-53.70
O=C(CN1C=[NH+]C2=C1CCCC2)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028672582	1	53	0.0	-60.02	405.54	6.96	-53.06
C[NH+](C)CC1(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL300028672627	0	60	0.0	-77.73	420.37	5.50	-72.23
C[N@H+](CCC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300028672633	0	60	0.0	-60.41	432.31	6.50	-53.91
C[N@@H+](CCC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300028672633	1	60	0.0	-59.50	432.53	6.51	-52.99
C[NH+](C)C1(CC(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300028672636	0	57	0.0	-61.23	397.72	5.36	-55.87
C[N@H+](CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300028672873	0	51	0.0	-53.89	379.99	4.92	-48.97
C[N@@H+](CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300028672873	1	51	0.0	-55.43	380.27	4.91	-50.52
CC(C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300028672906	0	57	0.0	-53.73	404.54	5.22	-48.51
O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028672925	0	57	0.0	-64.15	424.99	6.21	-57.94
C[N@H+](CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300028672928	1	54	0.0	-58.89	410.78	6.52	-52.37
C[N@@H+](CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300028672928	1	54	0.0	-59.39	410.77	6.51	-52.88
C[NH+]1CCC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028672945	0	51	0.0	-66.91	378.71	4.58	-62.33
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028673016	0	48	0.0	-51.82	352.51	3.44	-48.38
C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028673016	1	48	0.0	-56.63	360.46	3.80	-52.83
C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028673041	1	50	0.0	-57.03	380.39	4.64	-52.39
C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028673041	1	50	0.0	-55.49	386.55	5.21	-50.28
C[N@@H+]1CCCC1CCC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028673051	0	54	0.0	-61.25	395.54	4.97	-56.28
C[N@H+]1CCCC1CCC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028673051	1	54	0.0	-61.44	397.83	5.17	-56.27
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+](CCC1)C2	REAL300028673064	0	55	0.0	-63.79	391.45	5.10	-58.69
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC2CCCC[N@@H+]21	REAL300028673072	0	55	0.0	-51.72	401.97	5.85	-45.87
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC2CCCC[N@H+]21	REAL300028673072	1	55	0.0	-53.07	396.02	5.28	-47.79
CCC[N@@H+]1CCCC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028673169	0	57	0.0	-61.09	417.85	5.79	-55.30
CCC[N@H+]1CCCC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028673169	1	57	0.0	-60.76	417.84	5.94	-54.82
CC(C)[N@@H+]1CCOC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028673192	0	55	0.0	-64.94	398.97	4.37	-60.57
CC(C)[N@H+]1CCOC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028673192	1	55	0.0	-76.27	399.92	3.47	-72.80
CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028673211	0	58	0.0	-52.78	414.87	3.99	-48.79
C[N@@H+]1CCCCC1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028673231	0	51	0.0	-57.31	374.93	4.50	-52.81
C[N@H+]1CCCCC1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028673231	1	51	0.0	-58.32	365.15	4.29	-54.03
CC(C)C[N@@H+]1CCCC1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028673263	0	57	0.0	-51.73	412.85	5.58	-46.15
CC(C)C[N@H+]1CCCC1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028673263	1	57	0.0	-57.66	412.67	5.51	-52.15
O=C(C[NH+]1CCC(CO)CC1)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028673284	1	55	0.0	-56.83	407.56	2.06	-54.77
C[NH+]1C2CCC1CC(=CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300028673322	0	56	0.0	-62.94	406.56	5.51	-57.43
CC1C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028673343	0	51	0.0	-56.36	371.51	4.25	-52.11
CC1C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028673343	1	51	0.0	-55.66	375.32	4.15	-51.51
C[N@@H+]1CCCCC1CCC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028673347	0	57	0.0	-62.62	415.08	5.84	-56.78
C[N@H+]1CCCCC1CCC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028673347	1	57	0.0	-60.40	414.64	5.86	-54.54
NC1=[NH+]C2=C(C=C1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300028673388	1	51	0.0	-51.81	388.37	4.07	-47.74
CC(C)(C)[N@@H+]1CCC1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028673473	0	54	0.0	-56.19	379.87	3.91	-52.28
CC(C)(C)[N@H+]1CCC1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028673473	1	54	0.0	-56.14	380.65	3.68	-52.46
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300028673493	0	54	0.0	-71.40	410.17	3.34	-68.06
C[C@@H](C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028673498	0	47	0.0	-59.70	351.50	3.19	-56.51
C[NH+](C)CC1=CC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)=CC=N1	REAL300028673519	1	53	0.0	-62.98	408.10	4.57	-58.41
C=CCC(C)(C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028673525	0	54	0.0	-80.05	387.69	4.74	-75.31
CC[NH+](CC)CCSCC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028673558	0	57	0.0	-66.70	436.20	6.13	-60.57
NC1=C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C=[NH+]C2=CC=CC=C21	REAL300028673559	1	50	0.0	-53.82	385.65	3.51	-50.31
O=C(CC[NH+]1CCCC1)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028673564	0	51	0.0	-59.23	381.21	4.56	-54.67
C[N@H+](CCO)CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028673574	1	48	0.0	-58.73	362.21	0.35	-58.38
C[N@@H+](CCO)CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028673574	1	48	0.0	-55.89	362.03	0.36	-55.53
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1C[N@@H+]2CCN1CCC2	REAL300028673619	0	54	0.0	-58.44	380.93	2.06	-56.38
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1C[N@H+]2CCN1CCC2	REAL300028673619	1	54	0.0	-71.28	383.61	2.69	-68.59
CC(C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300028673651	1	52	0.0	-55.45	393.00	4.91	-50.54
C[N@H+]1CC=C(CC(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028673703	0	52	0.0	-64.60	393.32	5.24	-59.36
C[N@@H+]1CC=C(CC(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028673703	1	52	0.0	-63.11	393.31	5.23	-57.88
C[S+](C)CCC(O)C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028673721	0	50	0.0	-69.70	400.01	2.61	-67.09
C[N@@H+]1CC(O)CC1(C)C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028673747	0	52	0.0	-64.90	379.56	1.26	-63.64
C[N@H+]1CC(O)CC1(C)C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028673747	1	52	0.0	-77.01	383.60	0.50	-76.51
CN1CC[N@H+](C)CC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028673763	0	56	0.0	-62.01	404.67	2.97	-59.04
CN1CC[N@@H+](C)CC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028673763	1	56	0.0	-58.55	405.17	2.57	-55.98
CC(C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300028673764	0	55	0.0	-56.13	404.81	1.81	-54.32
CC(C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)[N@H+]1CCCC(O)C1	REAL300028673764	1	55	0.0	-56.79	404.85	1.80	-54.99
NC1=[NH+]C=C2CCCC2=C1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028673800	0	51	0.0	-51.85	392.98	3.81	-48.04
C[N@@H+]1CCCC(O)(CC(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028673807	0	55	0.0	-62.37	401.57	3.19	-59.18
C[N@H+]1CCCC(O)(CC(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028673807	1	55	0.0	-52.97	404.04	3.23	-49.74
CC1C[NH+](CC(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028673814	1	48	0.0	-57.73	364.01	4.01	-53.72
CC[N@@H+]1CCCC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028673822	0	54	0.0	-52.32	387.86	5.40	-46.92
CC[N@H+]1CCCC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028673822	1	54	0.0	-55.92	389.84	5.41	-50.51
NC1=[NH+]C=CC=C1CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028673834	0	47	0.0	-56.44	368.37	2.56	-53.88
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@@H+]1C1CC1	REAL300028673850	0	52	0.0	-52.78	390.10	5.40	-47.38
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@H+]1C1CC1	REAL300028673850	1	52	0.0	-50.66	385.93	4.78	-45.88
O=C(C=CC[NH+]1CCCC1)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028673907	0	52	0.0	-65.11	396.48	5.33	-59.78
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CC[NH+](C2CC2)CC1	REAL300028673936	0	55	0.0	-58.03	403.32	5.76	-52.27
CC[N@H+](C)CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028673992	0	47	0.0	-56.40	351.85	3.58	-52.82
O=C(CN1CC2C=CC1C2)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028674066	0	50	0.0	-53.93	373.27	4.91	-49.02
O=C(C[N@@H+]1CC2C=CC1C2)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028674066	1	50	0.0	-56.01	373.14	4.77	-51.24
O=C(C[N@H+]1CC2C=CC1C2)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028674066	1	50	0.0	-56.01	373.14	4.77	-51.24
CC1=CC=C(NCCC(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)N=C1	REAL300028674091	0	53	0.0	-58.38	412.99	4.32	-54.06
CC1=CC=C(NCCC(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)[NH+]=C1	REAL300028674091	1	53	0.0	-58.38	412.99	4.32	-54.06
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCN1CC2	REAL300028674172	0	51	0.0	-57.83	367.80	1.21	-56.62
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C12CCC[N@@H+]1CCCC2	REAL300028674227	0	55	0.0	-63.36	384.52	5.42	-57.94
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C12CCC[N@H+]1CCCC2	REAL300028674227	1	55	0.0	-63.36	384.52	5.42	-57.94
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C12CCC[N@@H+]1CC=CC2	REAL300028674239	0	53	0.0	-67.79	383.09	4.23	-63.56
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C12CCC[N@H+]1CC=CC2	REAL300028674239	1	53	0.0	-67.79	383.09	4.23	-63.56
CC(OCC[NH+](C)C)C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028674252	0	54	0.0	-63.07	408.78	4.71	-58.36
C[NH+](C)CCOCCC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028674264	0	54	0.0	-65.39	410.95	3.70	-61.69
COCCN(C)CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028674266	0	51	0.0	-55.27	384.29	2.76	-52.51
COCC[N@H+](C)CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028674266	1	51	0.0	-58.52	384.46	2.75	-55.77
COCC[N@@H+](C)CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028674266	1	51	0.0	-58.52	384.46	2.75	-55.77
CC(CCC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028674273	0	53	0.0	-65.40	386.64	4.58	-60.82
CC[N@H+](CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028674312	0	51	0.0	-57.91	375.61	4.61	-53.30
CC1C[N@@H+]2CCN1C(C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300028674332	0	54	0.0	-71.04	378.38	2.02	-69.02
C[N@@H+]1CC2CC1(C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300028674370	0	49	0.0	-62.70	365.79	4.00	-58.70
CC1=NC(N)=CC=C1C=CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028674381	0	51	0.0	-62.59	399.16	3.58	-59.01
CC1=[NH+]C(N)=CC=C1C=CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028674381	1	51	0.0	-62.59	399.16	3.58	-59.01
O=C(C[N@@H+]1CC2CCC1C2)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028674390	0	52	0.0	-55.07	380.74	5.00	-50.07
O=C(C[N@H+]1CC2CCC1C2)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028674390	1	52	0.0	-55.07	380.74	5.00	-50.07
CC(C)[NH+]1CCC(CC(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028674406	0	60	0.0	-62.03	431.63	6.47	-55.56
CC(C[NH+](C)C)C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028674422	0	50	0.0	-60.48	372.35	4.11	-56.37
CCN1CCC1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028674486	0	48	0.0	-58.76	359.16	3.47	-55.29
CC[N@@H+]1CCC1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028674486	1	48	0.0	-56.56	365.78	3.93	-52.63
CC[N@H+]1CCC1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028674486	1	48	0.0	-56.56	365.78	3.93	-52.63
CC(C)[N@@H+]1CCCC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028674502	0	57	0.0	-55.76	406.77	5.91	-49.85
CC(C)[N@H+]1CCCC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028674502	1	57	0.0	-55.76	406.77	5.91	-49.85
CCC(C)(C)[NH2+]C(C)C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028674527	0	56	0.0	-54.42	395.60	3.35	-51.07
C#CCN1CCCCC1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028674582	0	53	0.0	-58.84	388.16	5.32	-53.52
C#CC[N@H+]1CCCCC1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028674582	1	53	0.0	-56.51	401.20	5.68	-50.83
C#CC[N@@H+]1CCCCC1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028674582	1	53	0.0	-56.51	401.20	5.68	-50.83
CNC1=NC(C)=CC=C1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028674586	0	50	0.0	-53.37	382.96	3.87	-49.50
CNC1=[NH+]C(C)=CC=C1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028674586	1	50	0.0	-53.37	382.96	3.87	-49.50
CCCC(C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028674599	0	53	0.0	-52.38	385.57	4.57	-47.81
C[NH+](C)C(C)(C)C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028674607	0	50	0.0	-61.18	361.70	3.97	-57.21
CC(CC[NH+](C)C)C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028674633	0	53	0.0	-64.88	394.20	4.78	-60.10
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300028674701	0	58	0.0	-50.77	407.20	6.38	-44.39
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300028674701	1	58	0.0	-50.77	407.20	6.38	-44.39
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C12CC(C1)C[N@@H+]2C1CC1	REAL300028674741	0	53	0.0	-77.13	391.27	5.39	-71.74
COCCCC[N@H+](C)CCC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028674792	0	60	0.0	-63.63	450.67	4.71	-58.92
COCCCC[N@@H+](C)CCC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028674792	1	60	0.0	-63.63	450.67	4.71	-58.92
C[N@@H+]1CC(C)(C)CC1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028674804	0	54	0.0	-63.55	394.65	4.32	-59.23
C[NH+](C)CCCCCC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028674810	0	56	0.0	-67.10	420.76	5.82	-61.28
O=C(CC[NH+]1CCC(O)CC1)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028674815	0	55	0.0	-62.31	409.00	1.98	-60.33
CCC[N@@H+]1CCCCC1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028674821	0	57	0.0	-58.64	402.17	5.51	-53.13
CCC[N@H+]1CCCCC1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028674821	1	57	0.0	-58.64	402.17	5.51	-53.13
CC[NH+]1CCN(CCC(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028674831	0	59	0.0	-60.37	431.57	3.43	-56.94
CCN1CC[NH+](CCC(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028674831	1	59	0.0	-60.37	431.57	3.43	-56.94
CN1CCN(CC(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028674835	0	53	0.0	-65.67	392.91	2.45	-63.22
C[NH+]1CCN(CC(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028674835	1	53	0.0	-65.67	392.91	2.45	-63.22
CC(C)C[NH+]1CCC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028674974	0	60	0.0	-64.29	435.28	6.50	-57.79
CC1C[N@H+](C)CC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300028674977	1	52	0.0	-47.06	383.22	4.00	-43.06
CC1C[N@@H+](C)CC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300028674977	1	52	0.0	-64.67	392.80	3.99	-60.68
CCC1CCC[N@H+](CC(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028675016	0	57	0.0	-55.45	414.89	6.02	-49.43
CCC1CCC[N@@H+](CC(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028675016	1	57	0.0	-55.90	408.11	6.00	-49.90
C[NH+](C)CC1=CC=C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)N1	REAL300028675027	0	52	0.0	-65.43	400.78	4.09	-61.34
O=C(C[NH+]1CC2CC2C1)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028675052	0	49	0.0	-55.36	369.38	4.82	-50.54
O=C(CC1([NH+]2CCCC2)CC1)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028675072	0	55	0.0	-57.09	398.95	5.59	-51.50
CC([NH2+]C1(CO)CCCC1)C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028675092	0	58	0.0	-58.08	402.96	0.84	-57.24
C[N@@H+]1CCCCC1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028675127	0	51	0.0	-57.31	374.93	4.50	-52.81
C[N@H+]1CCCCC1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028675127	1	51	0.0	-58.32	365.15	4.29	-54.03
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300028675135	1	55	0.0	-56.27	418.30	6.63	-49.64
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@H+]1CC1=CC=CC=C1	REAL300028675135	1	55	0.0	-62.42	425.65	6.74	-55.68
CC(C)C[N@@H+]1CCCC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028675142	0	60	0.0	-58.67	435.31	6.60	-52.07
CC(C)C[N@H+]1CCCC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028675142	1	60	0.0	-57.86	429.12	6.72	-51.14
C[NH+](C)C1CCN(CC(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028675212	0	59	0.0	-67.37	427.22	3.64	-63.73
C[N@@H+]1CCC(=CC(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028675292	0	49	0.0	-66.84	372.04	4.48	-62.36
C[N@H+]1CCC(=CC(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028675292	1	49	0.0	-65.86	372.97	4.46	-61.40
O=C(CNC1=CC=[NH+]C=C1)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028675299	0	47	0.0	-61.02	369.61	2.21	-58.81
CC[NH+]1CCN(CC(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028675371	0	56	0.0	-65.96	410.38	2.90	-63.06
O=C(C=C1C[NH+]2CCC1CC2)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028675374	0	53	0.0	-61.71	390.35	5.31	-56.40
C[NH+](C)C1(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300028675428	0	54	0.0	-78.10	387.68	4.40	-73.70
C[N@H+](CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300028675445	0	55	0.0	-53.87	404.55	2.29	-51.58
C[N@@H+](CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300028675445	1	55	0.0	-53.87	404.99	2.31	-51.56
CCC1C[NH+](CC(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028675453	1	51	0.0	-57.10	386.32	4.71	-52.39
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1C[NH+](C2CCOCC2)C1	REAL300028675457	0	56	0.0	-58.17	416.79	3.87	-54.30
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1([NH+]2CCCC2)CCC1	REAL300028675459	0	55	0.0	-76.71	396.76	4.52	-72.19
C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028675476	0	48	0.0	-55.66	359.23	3.89	-51.77
C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028675476	1	48	0.0	-60.31	353.79	3.44	-56.87
CC[N@@H+]1CCOCC1CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028675518	0	55	0.0	-58.13	397.28	3.28	-54.85
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1C[NH+](C2CCCCC2)C1	REAL300028675546	0	58	0.0	-56.81	425.65	6.26	-50.55
COC1C[N@@H+]2CCCC2(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028675567	0	56	0.0	-49.87	408.68	3.77	-46.10
COC1C[N@H+]2CCCC2(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028675567	1	56	0.0	-49.87	408.68	3.77	-46.10
NC1=NC2=CC(C(=O)NC[C@@H]3CCCCN3C(=O)C3=CC(=O)[N-]O3)=CC=C2N1	REAL300028675643	0	48	0.0	-62.78	378.23	4.18	-58.60
NC1=[NH+]C2=CC(C(=O)NC[C@@H]3CCCCN3C(=O)C3=CC(=O)[N-]O3)=CC=C2N1	REAL300028675643	1	48	0.0	-62.78	378.23	4.18	-58.60
C[NH+](C)[C@H]1C[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028675696	0	51	0.0	-66.29	383.86	4.64	-61.65
C[NH+](C)CCC1(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300028675709	0	60	0.0	-64.10	428.62	6.80	-57.30
CC1CCCC(C)[NH+]1CCC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028675711	0	60	0.0	-56.29	427.26	6.00	-50.29
C[NH+](C)C1CCC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028675714	0	57	0.0	-64.64	412.97	5.75	-58.89
C[NH+](C)CCC1(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028675715	0	54	0.0	-69.90	405.67	5.47	-64.43
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028675720	0	57	0.0	-49.60	402.43	5.44	-44.16
C[N@@H+]1CC=CCC1CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028675721	0	52	0.0	-59.21	384.71	5.01	-54.20
C[N@H+]1CC=CCC1CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028675721	1	52	0.0	-48.66	380.07	4.90	-43.76
CC1=CC(C=CC(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)=C[NH+]=C1N	REAL300028675790	1	51	0.0	-62.26	399.12	3.91	-58.35
C[NH+](C)CCOCC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028675806	0	51	0.0	-60.85	389.75	4.00	-56.85
CCCCC[N@H+](C)CCC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028675813	0	59	0.0	-61.51	438.71	6.42	-55.09
CCCCC[N@@H+](C)CCC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028675813	1	59	0.0	-60.98	438.50	6.42	-54.56
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300028675827	0	55	0.0	-64.99	413.03	4.85	-60.14
[NH2+]=C1SC=CN1CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028675861	0	44	0.0	-58.07	361.18	2.94	-55.13
C[C@@H](OCC[NH+](C)C)C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028675960	0	54	0.0	-58.12	409.74	4.67	-53.45
O=C(CC[NH+]1CCCCCC1)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028676033	0	57	0.0	-61.37	407.91	5.52	-55.85
C[N@@H+]1CCCC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028676039	0	51	0.0	-57.13	372.44	4.74	-52.39
C[N@H+]1CCCC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028676039	1	51	0.0	-57.13	372.44	4.74	-52.39
O=C(CN1CCC(CO)CC1)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028676041	0	55	0.0	-56.83	407.56	2.06	-54.77
O=C(C[NH+]1CCC(CO)CC1)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028676041	1	55	0.0	-56.83	407.56	2.06	-54.77
O=C(C[NH+]1CCCCCC1)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028676047	0	54	0.0	-54.20	385.00	4.98	-49.22
CN1C=C[N+](CC(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300028676054	0	46	0.0	-57.85	365.13	6.45	-51.40
C[N@@H+]1CCCC(C(C)(C)C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028676073	0	60	0.0	-67.08	416.23	5.62	-61.46
C[N@H+]1CCCC(C(C)(C)C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028676073	1	60	0.0	-67.08	416.23	5.62	-61.46
CN(C)CC1=CC=C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300028676079	0	51	0.0	-64.47	398.72	4.72	-59.75
C[NH+](C)CC1=CC=C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300028676079	1	51	0.0	-64.47	398.72	4.72	-59.75
O=C(CN1CCC(O)CC1)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028676107	0	52	0.0	-59.47	386.94	1.45	-58.02
O=C(C[NH+]1CCC(O)CC1)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028676107	1	52	0.0	-59.47	386.94	1.45	-58.02
C[N@H+](CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028676114	0	48	0.0	-54.74	363.32	4.30	-50.44
CC(C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)N1CCN(C)CC1	REAL300028676116	0	56	0.0	-65.79	405.01	2.73	-63.06
CC(C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300028676116	1	56	0.0	-65.79	405.01	2.73	-63.06
O=C(CC[N@H+]1CCC(F)C1)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028676121	0	51	0.0	-63.74	388.44	4.72	-59.02
COC1C[N@H+](C)C(C)(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028676137	0	55	0.0	-49.51	405.11	3.41	-46.10
CC(CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300028676164	0	53	0.0	-64.87	391.31	4.93	-59.94
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@@H+]2CCOCC12	REAL300028676186	0	53	0.0	-61.71	389.07	3.04	-58.67
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@H+]2CCOCC12	REAL300028676186	1	53	0.0	-61.71	389.07	3.04	-58.67
CN1CCOCC1CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028676216	0	52	0.0	-59.17	377.01	2.60	-56.57
C[N@@H+]1CCOCC1CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028676216	1	52	0.0	-51.01	377.28	2.58	-48.43
C[N@H+]1CCOCC1CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028676216	1	52	0.0	-51.01	377.28	2.58	-48.43
CC1=CC(N)=NC=C1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028676298	0	47	0.0	-61.79	363.35	2.48	-59.31
CC1=CC(N)=[NH+]C=C1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028676298	1	47	0.0	-61.79	363.35	2.48	-59.31
CC1(O)CC[N@H+](CC(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028676364	0	52	0.0	-55.34	390.18	1.33	-54.01
C[NH+](C)CCN1N=CC=C1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028676374	0	54	0.0	-60.47	413.83	4.29	-56.18
C[NH+]1CC(CC(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028676411	0	48	0.0	-63.88	365.41	3.73	-60.15
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@@H+]1C1CCCC1	REAL300028676417	0	55	0.0	-57.19	397.50	5.37	-51.82
C[N@H+](CCO)CCC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028676472	0	51	0.0	-61.12	384.56	0.88	-60.24
C[N@@H+](CCO)CCC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028676472	1	51	0.0	-61.12	384.56	0.88	-60.24
C[N@@H+]1CCCCC1CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028676499	0	54	0.0	-48.50	385.64	4.96	-43.54
C[N@H+]1CCCCC1CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028676499	1	54	0.0	-48.50	385.64	4.96	-43.54
CC1=C2C=C(C(=O)NC[C@@H]3CCCCN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=N1	REAL300028676532	0	49	0.0	-64.93	386.42	6.98	-57.95
CC1=C2C=C(C(=O)NC[C@@H]3CCCCN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300028676532	1	49	0.0	-64.93	386.42	6.98	-57.95
CC(C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)N1CC(C)C1	REAL300028676533	0	51	0.0	-53.90	381.65	4.61	-49.29
CC(C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300028676533	1	51	0.0	-53.90	381.65	4.61	-49.29
CC1CCN1CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028676539	0	48	0.0	-54.44	365.20	4.00	-50.44
CC1CC[N@@H+]1CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028676539	1	48	0.0	-58.86	365.53	3.89	-54.97
CC1CC[N@H+]1CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028676539	1	48	0.0	-58.86	365.53	3.89	-54.97
C[NH+](C)CC=CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028676559	0	48	0.0	-67.22	371.40	4.17	-63.05
O=C(CCCC[NH+]1CCCCC1)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028676588	0	60	0.0	-64.22	441.12	6.92	-57.30
CC1=C(C)NC(CCC(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)=N1	REAL300028676603	0	52	0.0	-55.43	404.14	4.19	-51.24
CC1=C(C)[NH+]=C(CCC(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)N1	REAL300028676603	1	52	0.0	-55.43	404.14	4.19	-51.24
C[NH+]1CCC(C2(C(=O)NC[C@@H]3CCCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028676616	0	58	0.0	-64.51	422.66	6.56	-57.95
CC1=C2C=C(C(=O)NC[C@@H]3CCCCN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=N1	REAL300028676626	0	49	0.0	-64.93	386.42	6.98	-57.95
CC1=C2C=C(C(=O)NC[C@@H]3CCCCN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300028676626	1	49	0.0	-64.93	386.42	6.98	-57.95
C[NH+](C)CCSCC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028676638	0	51	0.0	-68.19	400.79	4.86	-63.33
NC1=NC2=C(C=C1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)CCCC2	REAL300028676662	0	54	0.0	-52.06	405.24	4.62	-47.44
NC1=[NH+]C2=C(C=C1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)CCCC2	REAL300028676662	1	54	0.0	-52.06	405.24	4.62	-47.44
O=C(C[N@H+]1CCCC1CO)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028676670	0	52	0.0	-55.13	383.76	0.99	-54.14
CC[NH+](CC)CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028676673	0	50	0.0	-55.52	365.63	4.00	-51.52
C[N@H+](CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300028676686	0	52	0.0	-61.70	393.27	5.13	-56.57
O=C(CN1CCC1)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028676688	0	45	0.0	-57.27	344.19	3.42	-53.85
O=C(C[NH+]1CCC1)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028676688	1	45	0.0	-57.27	344.19	3.42	-53.85
CC[NH+](CC)CCC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028676749	0	53	0.0	-59.28	387.21	4.41	-54.87
CC(C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300028676857	1	55	0.0	-54.97	404.51	1.84	-53.13
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CC2COCC[N@@H+]2C1	REAL300028676865	0	53	0.0	-60.47	391.76	3.20	-57.27
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CC2COCC[N@H+]2C1	REAL300028676865	1	53	0.0	-61.07	392.81	3.28	-57.79
CC(C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300028676884	1	48	0.0	-56.31	361.50	3.91	-52.40
CCC(CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300028676895	0	56	0.0	-59.67	408.80	5.45	-54.22
NC1=CC=C(C=CC(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C=[NH+]1	REAL300028676904	0	48	0.0	-63.95	381.55	3.12	-60.83
C[NH+](C)CC(C)(C)C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028676905	0	53	0.0	-61.08	380.81	4.62	-56.46
C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028676984	0	51	0.0	-56.23	366.61	4.16	-52.07
C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028676984	1	51	0.0	-53.21	376.15	4.43	-48.78
CC1CN2CC[N@@H+]1CC2C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028677001	0	54	0.0	-56.92	384.70	1.59	-55.33
CC1CN2CC[N@H+]1CC2C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028677001	1	54	0.0	-72.25	385.11	1.63	-70.62
C[NH+](C)CC(O)CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028677031	0	51	0.0	-65.32	386.59	1.94	-63.38
C[NH+]1C2CCC1CC(C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300028677034	0	55	0.0	-75.50	377.55	4.36	-71.14
C=CCC(C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028677085	0	51	0.0	-53.30	380.37	4.57	-48.73
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@@H+]2C1	REAL300028677098	0	55	0.0	-57.57	400.60	5.56	-52.01
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@H+]2C1	REAL300028677098	1	55	0.0	-58.51	401.81	5.60	-52.91
C[NH+]1CCC(C)(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028677114	0	54	0.0	-51.28	389.94	4.99	-46.29
C[NH+]1CCC(O)(CC(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028677119	0	55	0.0	-58.41	401.75	3.31	-55.10
COCC[N@@H+]1CCCC1CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028677135	0	58	0.0	-47.87	424.86	4.81	-43.06
COCC[N@H+]1CCCC1CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028677135	1	58	0.0	-59.50	425.63	3.96	-55.54
C[NH+]1C2CCC1CC(CC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300028677150	0	58	0.0	-70.74	399.42	5.17	-65.57
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028677185	0	54	0.0	-60.90	414.18	4.16	-56.74
C[NH+]1CCC(C2(C(=O)N3CCCC[C@H]3CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028677224	0	58	0.0	-68.86	424.30	6.39	-62.47
CC1=C2C=C(C(=O)N3CCCC[C@H]3CNC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300028677235	1	49	0.0	-72.35	388.13	6.80	-65.55
C[NH+](C)CCSCC(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028677244	0	51	0.0	-78.78	405.45	4.14	-74.64
O=C(NC[C@@H]1CCCCN1C(=O)C1CC2COCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300028677254	0	53	0.0	-70.94	392.52	2.30	-68.64
O=C(NC[C@@H]1CCCCN1C(=O)C1CC2COCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300028677254	1	53	0.0	-74.44	394.40	2.32	-72.12
C[N@@H+]1CCCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028677411	0	46	0.0	-55.20	357.96	3.75	-51.45
C[N@H+]1CCCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028677411	1	46	0.0	-56.59	359.08	3.74	-52.85
C[N@@H+]1CCOC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028677435	1	47	0.0	-60.32	368.69	3.16	-57.16
C[N@H+]1CCOC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028677435	1	47	0.0	-67.09	361.79	3.16	-63.93
CC(C)C1=[NH+]C=CN1CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028677625	1	53	0.0	-57.95	418.96	5.74	-52.21
CC(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300028677632	0	55	0.0	-54.34	401.03	5.28	-49.06
CC(C)[N@@H+]1CCCCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028677635	0	55	0.0	-56.44	406.22	5.16	-51.28
CC(C)[N@H+]1CCCCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028677635	1	55	0.0	-55.10	395.49	5.26	-49.84
CC(C)[N@@H+]1CCCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028677670	0	52	0.0	-54.36	390.42	4.78	-49.58
CC(C)[N@H+]1CCCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028677670	1	52	0.0	-54.66	391.35	4.84	-49.82
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@@H+]2C1	REAL300028677697	0	53	0.0	-51.92	396.33	5.46	-46.46
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@H+]2C1	REAL300028677697	1	53	0.0	-54.39	399.98	5.36	-49.03
CC(C)C1=[NH+]C=CN1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028677733	1	50	0.0	-55.58	397.65	5.55	-50.03
CC1=[NH+]C=CN1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028677789	1	44	0.0	-57.80	361.44	4.44	-53.36
CC(C[NH+]1CCOCC1)C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028677791	0	53	0.0	-64.01	404.64	3.34	-60.67
O=C(CCC[NH+]1CCCCC1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028677813	0	55	0.0	-61.80	416.43	6.05	-55.75
CC(C)(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300028677842	0	55	0.0	-54.45	395.70	5.18	-49.27
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCC1CC2	REAL300028677861	0	50	0.0	-70.41	374.58	4.39	-66.02
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CCCC2CCC[N@@H+]21	REAL300028677924	0	53	0.0	-53.02	394.44	5.64	-47.38
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CCCC2CCC[N@H+]21	REAL300028677924	1	53	0.0	-55.63	389.66	5.26	-50.37
C[NH+](C)CCN1C=C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C=N1	REAL300028677926	0	52	0.0	-75.31	415.69	4.36	-70.95
C[NH+](C)CCN1C=CC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)=N1	REAL300028677942	0	52	0.0	-72.83	416.07	4.37	-68.46
C[C@@H]1[C@H](C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028677949	0	49	0.0	-58.19	365.55	3.83	-54.36
C[C@@H]1[C@H](C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028677949	1	49	0.0	-57.67	372.00	4.06	-53.61
CCC1=[NH+]C=CN1C(C)CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028677952	1	53	0.0	-58.30	419.50	5.79	-52.51
CC[C@@H]1[C@@H](C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028677955	0	52	0.0	-65.63	389.63	4.36	-61.27
CC[C@@H]1[C@@H](C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028677955	1	52	0.0	-65.01	394.84	4.74	-60.27
CC[N@@H+]1CCOC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028677981	1	50	0.0	-48.43	376.78	3.73	-44.70
CC[N@H+]1CCOC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028677981	1	50	0.0	-68.04	387.63	3.82	-64.22
CC[NH+](CC)CC(F)C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028678050	0	51	0.0	-56.99	390.68	4.21	-52.78
C[NH+](C)CC1=C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)SC=C1	REAL300028678051	0	49	0.0	-57.05	396.44	5.53	-51.52
CC1CCC(C)[NH+]1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028678167	0	52	0.0	-53.41	389.32	4.94	-48.47
O=C(CCC[NH+]1CCCC1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028678174	0	52	0.0	-64.07	403.38	5.12	-58.95
C[NH+](C)CC1=CC=CC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)=C1	REAL300028678175	0	52	0.0	-71.14	409.52	6.35	-64.79
C#CC[NH+]1CCC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028678182	0	51	0.0	-65.85	402.78	5.40	-60.45
O=C(CC[NH+]1CCCCC1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028678183	0	52	0.0	-61.49	397.55	5.01	-56.48
C[NH+](C)CC1=CC=CC=C1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028678187	0	52	0.0	-54.96	401.92	6.63	-48.33
CC[N@@H+]1CCCCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028678197	0	52	0.0	-54.87	383.28	4.75	-50.12
CC[N@H+]1CCCCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028678197	1	52	0.0	-53.72	382.08	4.90	-48.82
CC(C)C(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300028678198	0	58	0.0	-55.65	419.63	6.14	-49.51
C[NH+](C)C(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300028678201	1	52	0.0	-54.30	408.28	6.08	-48.22
CC(C)C[N@@H+]1CCC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028678227	0	55	0.0	-59.05	417.62	5.58	-53.47
CC(C)C[N@H+]1CCC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028678227	1	55	0.0	-57.18	413.88	5.78	-51.40
C[NH+](C)C1(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300028678231	0	49	0.0	-57.48	362.44	4.44	-53.04
C[NH+](C)C(CN1C=CC=N1)C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028678233	1	52	0.0	-58.71	406.53	3.83	-54.88
CC(C)[N@@H+]1CCCC1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028678239	0	55	0.0	-57.81	413.59	5.52	-52.29
CC(C)[N@H+]1CCCC1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028678239	1	55	0.0	-52.30	401.77	4.73	-47.57
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CCC[N@@H+]1C1CCCC1	REAL300028678240	0	56	0.0	-59.32	403.82	6.63	-52.69
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CCC[N@H+]1C1CCCC1	REAL300028678240	1	56	0.0	-56.92	408.93	6.29	-50.63
CC(C)[C@@H](C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028678267	0	51	0.0	-52.18	375.71	4.38	-47.80
C[N@H+](CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300028678333	0	49	0.0	-55.46	378.74	4.73	-50.73
C[N@@H+](CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300028678333	1	49	0.0	-54.42	377.50	4.84	-49.58
CC(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300028678428	0	55	0.0	-55.24	404.23	4.93	-50.31
CN(CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC=[NH+]C=C1	REAL300028678510	0	51	0.0	-56.87	406.12	4.53	-52.34
C#CC[N@H+]1CCC[C@H]1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028678523	1	48	0.0	-58.25	379.53	4.43	-53.82
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028678523	1	48	0.0	-58.16	385.96	4.86	-53.30
C[N@@H+]1CCCC1CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028678533	0	52	0.0	-64.95	400.30	5.17	-59.78
C[N@H+]1CCCC1CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028678533	1	52	0.0	-61.92	393.83	4.85	-57.07
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+](CCC1)C2	REAL300028678547	0	53	0.0	-65.24	389.50	4.92	-60.32
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CCC2CCCC[N@@H+]21	REAL300028678555	0	53	0.0	-56.24	393.14	5.20	-51.04
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CCC2CCCC[N@H+]21	REAL300028678555	1	53	0.0	-54.88	392.27	5.34	-49.54
CC(C)(C[NH+]1CCOCC1)C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028678564	0	56	0.0	-56.38	414.36	3.68	-52.70
O=C(CCCC[NH+]1CCCC1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028678584	0	55	0.0	-66.15	424.87	5.90	-60.25
C[N@H+](CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300028678587	1	52	0.0	-59.82	409.17	6.34	-53.48
C[N@@H+](CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300028678587	1	52	0.0	-61.87	410.26	6.18	-55.69
C[NH+]1CCC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028678605	0	49	0.0	-63.20	378.11	4.25	-58.95
C[NH+](C)CC1=CC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)=NO1	REAL300028678672	1	48	0.0	-75.93	389.46	3.84	-72.09
CC1=C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300028678674	0	47	0.0	-67.58	383.64	6.63	-60.95
C[N@@H+]1CCCCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028678723	0	49	0.0	-59.87	374.88	4.25	-55.62
C[N@H+]1CCCCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028678723	1	49	0.0	-59.33	361.34	4.14	-55.19
CC(C)C[N@@H+]1CCCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028678757	0	55	0.0	-56.07	417.46	5.92	-50.15
CC(C)C[N@H+]1CCCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028678757	1	55	0.0	-56.96	409.15	5.57	-51.39
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CN2C=[NH+]C=C2C=C1	REAL300028678923	0	44	0.0	-64.23	361.68	6.37	-57.86
CC1=[NH+]C=CN1CCCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028678938	1	50	0.0	-61.62	404.52	5.50	-56.12
O=C(CCCC[NH+]1CCOCC1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028678942	1	56	0.0	-69.13	431.82	4.18	-64.95
C[NH+](C)CC1=CC=C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028678948	0	52	0.0	-72.44	410.15	6.32	-66.12
O=C(CC[NH+]1CCOCC1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028678949	1	50	0.0	-64.54	388.82	2.59	-61.95
C[NH+](C)C(C)(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300028678969	0	55	0.0	-61.60	408.49	6.17	-55.43
CCC[NH+](CCC)CCCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028678977	0	60	0.0	-65.21	451.63	6.51	-58.70
CC[N@H+](C)C(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300028678978	0	55	0.0	-57.92	425.18	6.91	-51.01
CC[N@@H+](C)C(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300028678978	1	55	0.0	-50.25	424.94	6.96	-43.29
CC1=C[NH+]=CN1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028679001	1	44	0.0	-61.73	362.28	5.09	-56.64
O=C(CN1C=[NH+]C2=C1CCCC2)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028679014	1	51	0.0	-62.23	405.14	6.66	-55.57
C[NH+](C)CC1(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL300028679062	0	58	0.0	-70.95	410.26	7.04	-63.91
C[NH+](C)CCC1=CC=CC=C1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028679063	0	55	0.0	-62.21	420.99	7.11	-55.10
C[N@H+](CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300028679069	0	58	0.0	-62.80	431.96	6.17	-56.63
C[N@@H+](CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300028679069	1	58	0.0	-61.82	431.96	6.18	-55.64
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+]1CCC2	REAL300028679074	0	50	0.0	-57.78	371.72	4.79	-52.99
C[NH+](C)C1CCCC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028679114	0	55	0.0	-62.18	403.54	5.54	-56.64
C[N@@H+]1CCC(CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028679121	0	49	0.0	-67.05	379.36	4.27	-62.78
C[N@H+]1CCC(CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028679121	1	49	0.0	-65.86	378.18	4.40	-61.46
CN(C)C1=CC=[NH+]C=C1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028679135	0	48	0.0	-59.86	382.27	3.68	-56.18
CCC(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028679141	0	48	0.0	-55.53	363.95	3.57	-51.96
C[NH+](C)C1(CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300028679165	0	55	0.0	-62.15	396.34	5.17	-56.98
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC2=C[NH+]=CN2C=C1	REAL300028679237	1	44	0.0	-66.48	362.45	6.34	-60.14
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300028679282	1	47	0.0	-72.36	391.08	4.31	-68.05
C[NH+](C)CCCCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028679317	0	51	0.0	-67.70	398.91	4.72	-62.98
CC(C)C(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028679339	0	51	0.0	-63.57	377.03	4.37	-59.20
CCC[N@H+](C)CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028679341	0	51	0.0	-62.97	395.14	4.53	-58.44
CCC[N@@H+](C)CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028679341	1	51	0.0	-60.42	392.97	4.82	-55.60
CCC[N@H+](C)CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028679348	0	48	0.0	-57.63	371.74	4.15	-53.48
CCC[N@@H+](C)CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028679348	1	48	0.0	-59.16	372.78	3.99	-55.17
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C12CC[N@H+](C1)CCC2	REAL300028679379	0	50	0.0	-59.26	371.61	4.04	-55.22
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C12CC[N@@H+](C1)CCC2	REAL300028679379	1	50	0.0	-66.63	371.80	4.01	-62.62
C[N@@H+]1CCC[C@@H]1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028679448	0	46	0.0	-53.97	352.92	3.21	-50.76
C[N@H+]1CCC[C@@H]1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028679448	1	46	0.0	-56.48	358.02	3.73	-52.75
CC1CC2CCC(C(=O)NCC34CC(C3)CN4C(=O)C3=CC(=O)[N-]O3)C[N@@H+]2C1	REAL300028679476	0	56	0.0	-58.27	416.51	6.21	-52.06
CC1CC2CCC(C(=O)NCC34CC(C3)CN4C(=O)C3=CC(=O)[N-]O3)C[N@H+]2C1	REAL300028679476	1	56	0.0	-57.56	419.84	6.15	-51.41
CCCCCC[N@H+](C)CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028679533	0	57	0.0	-58.53	436.24	6.49	-52.04
CCCCCC[N@@H+](C)CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028679533	1	57	0.0	-59.99	437.27	6.34	-53.65
CC[NH+](CC)C(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300028679544	0	57	0.0	-60.07	410.81	5.31	-54.76
CC[NH+](CC)CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028679555	0	48	0.0	-58.16	365.14	3.67	-54.49
CCC[N@@H+]1CCCC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028679589	0	55	0.0	-60.82	416.66	5.69	-55.13
CCC[N@H+]1CCCC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028679589	1	55	0.0	-62.46	416.66	5.68	-56.78
CC(C)[N@@H+]1CCOC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028679613	0	53	0.0	-65.97	397.76	4.10	-61.87
CC(C)[N@H+]1CCOC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028679613	1	53	0.0	-57.61	393.80	3.70	-53.91
CC1CC[NH+](CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028679655	0	52	0.0	-55.62	394.34	5.36	-50.26
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300028679687	1	47	0.0	-74.63	391.82	4.19	-70.44
C[NH+]1CCC(OCC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028679697	0	53	0.0	-70.76	413.50	4.68	-66.08
C[NH+](C)CC1(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028679716	0	49	0.0	-66.75	378.59	4.49	-62.26
CC1=[NH+]C=C2CCC(C(=O)NCC34CC(C3)CN4C(=O)C3=CC(=O)[N-]O3)CN21	REAL300028679717	1	51	0.0	-56.05	395.86	5.60	-50.45
CC(C)[NH+]1CCC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028679824	0	55	0.0	-60.55	408.77	5.21	-55.34
C[NH+]1CCC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028679855	0	49	0.0	-63.20	378.11	4.25	-58.95
CC(C)[C@H](C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028679878	0	51	0.0	-64.00	379.20	4.25	-59.75
CCC(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300028679917	0	54	0.0	-52.01	394.28	4.88	-47.13
CC[N@H+](C)CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028680016	0	48	0.0	-62.48	373.64	3.79	-58.69
CC[N@@H+](C)CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028680016	1	48	0.0	-59.98	371.48	4.08	-55.90
CC1CCC[N@@H+]1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028680098	0	49	0.0	-54.88	377.37	4.39	-50.49
CC1CCC[N@H+]1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028680098	1	49	0.0	-54.55	377.38	4.53	-50.02
CC1CC[N@H+](CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028680101	0	49	0.0	-56.65	377.66	4.46	-52.19
CC1CC[N@@H+](CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028680101	1	49	0.0	-57.01	378.26	4.35	-52.66
CC(C)(C)[N@@H+]1CCC(F)(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028680102	0	55	0.0	-53.23	413.04	5.01	-48.22
CC(C)(C)[N@H+]1CCC(F)(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028680102	1	55	0.0	-54.76	412.22	4.94	-49.82
CC1=[NH+]C=C2CC(C(=O)NCC34CC(C3)CN4C(=O)C3=CC(=O)[N-]O3)CCN21	REAL300028680104	1	51	0.0	-54.91	397.62	5.59	-49.32
C[NH+](C)CCC1=CC=C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028680106	0	55	0.0	-74.73	432.65	7.17	-67.56
CC1(C)CC[N@H+](CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028680108	0	52	0.0	-55.75	397.06	5.04	-50.71
CC1(C)CC[N@@H+](CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028680108	1	52	0.0	-56.20	397.98	4.98	-51.22
C[N@H+](CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300028680109	0	54	0.0	-56.41	402.14	5.25	-51.16
C[N@@H+](CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300028680109	1	54	0.0	-58.66	403.69	5.15	-53.51
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028680110	0	55	0.0	-60.10	430.51	7.30	-52.80
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028680110	1	55	0.0	-62.73	432.69	7.03	-55.70
CC[C@@H](C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028680122	0	48	0.0	-53.89	362.03	3.85	-50.04
CC(COCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCC1	REAL300028680130	0	56	0.0	-61.12	432.13	5.35	-55.77
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CC[NH+](CC2CC2)CC1	REAL300028680232	0	56	0.0	-63.69	427.32	6.46	-57.23
C[NH+]1CCC(O)(CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028680389	0	53	0.0	-63.86	403.06	3.06	-60.80
COCC[N@@H+]1CCCC1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028680396	0	56	0.0	-62.15	421.60	4.01	-58.14
COCC[N@H+]1CCCC1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028680396	1	56	0.0	-58.61	430.39	4.22	-54.39
C[NH+](C)CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028680404	0	42	0.0	-60.20	333.55	2.58	-57.62
O=C(C[NH+]1CCC(CO)CC1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028680409	1	53	0.0	-59.15	404.78	2.03	-57.12
O=C(C[NH+]1CCCCCC1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028680413	0	52	0.0	-57.38	383.08	4.89	-52.49
CN1C=C[N+](CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)=C1	REAL300028680418	0	44	0.0	-57.42	364.78	6.10	-51.32
C[N@@H+]1CCCC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028680429	0	49	0.0	-63.23	375.63	4.40	-58.83
C[N@H+]1CCCC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028680429	1	49	0.0	-55.06	366.41	4.61	-50.45
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CCC[N@@H+]1C1CC1	REAL300028680435	0	50	0.0	-54.16	385.17	5.31	-48.85
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CCC[N@H+]1C1CC1	REAL300028680435	1	50	0.0	-61.16	377.10	5.38	-55.78
CC(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300028680475	1	46	0.0	-54.91	359.53	3.93	-50.98
CCC(CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300028680485	0	54	0.0	-59.10	408.79	5.19	-53.91
C[NH+](C)CC(C)(C)C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028680494	0	51	0.0	-63.45	383.39	4.32	-59.13
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C12CC(C1)C[N@@H+]2C1CC1	REAL300028680518	0	51	0.0	-52.59	372.92	4.53	-48.06
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C12CC(C1)C[N@H+]2C1CC1	REAL300028680518	1	51	0.0	-53.32	388.78	4.93	-48.39
O=C(C[NH+]1CCC(O)CC1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028680542	1	50	0.0	-59.28	384.60	1.40	-57.88
C[N@H+](CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028680544	0	46	0.0	-56.55	362.82	3.99	-52.56
C[N@@H+](CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028680544	1	46	0.0	-54.31	360.79	4.26	-50.05
CC(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300028680545	1	54	0.0	-67.11	403.17	2.57	-64.54
C[NH+]1CC(CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028680575	0	46	0.0	-65.99	364.99	3.41	-62.58
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CC[N@@H+]1C1CCCC1	REAL300028680579	0	53	0.0	-57.06	399.09	5.17	-51.89
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CC[N@H+]1C1CCCC1	REAL300028680579	1	53	0.0	-57.86	398.24	5.15	-52.71
CC(C)(C)[N@@H+]1CCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028680588	0	52	0.0	-52.05	373.10	4.33	-47.72
CC(C)(C)[N@H+]1CCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028680588	1	52	0.0	-57.14	394.31	4.42	-52.72
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300028680599	0	52	0.0	-68.33	410.00	3.56	-64.77
C[C@@H](C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028680602	0	45	0.0	-54.30	349.48	3.26	-51.04
CCC1CCC[N@H+](CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028680656	0	55	0.0	-57.60	413.90	5.79	-51.81
CCC1CCC[N@@H+](CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028680656	1	55	0.0	-57.46	413.89	5.78	-51.68
C[NH+](C)CC1=CC=C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)N1	REAL300028680665	0	50	0.0	-66.99	398.23	4.05	-62.94
C[NH+]1C2CCC1CC(CC(=O)NCC13CC(C1)CN3C(=O)C1=CC(=O)[N-]O1)C2	REAL300028680680	0	56	0.0	-70.24	399.22	5.03	-65.21
C[NH+](C)C(CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300028680687	0	55	0.0	-66.34	423.77	6.60	-59.74
[NH2+]=C1SC=CN1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028680729	0	42	0.0	-56.56	359.08	3.00	-53.56
C[N@H+](CCO)CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028680743	0	49	0.0	-61.29	381.83	0.86	-60.43
C[N@@H+](CCO)CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028680743	1	49	0.0	-63.18	383.98	0.56	-62.62
C[C@@H](C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028680744	0	45	0.0	-54.30	349.48	3.26	-51.04
C[N@@H+]1CCCC[C@@H]1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028680749	0	49	0.0	-58.58	359.18	4.21	-54.37
C[N@H+]1CCCC[C@@H]1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028680749	1	49	0.0	-53.67	374.86	4.26	-49.41
CC1CN2CC[N@@H+]1CC2C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028680759	0	52	0.0	-54.90	382.09	1.63	-53.27
CC1CN2CC[N@H+]1CC2C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028680759	1	52	0.0	-53.93	382.04	1.62	-52.31
COC1C[N@@H+]2CCCC2(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028680812	0	54	0.0	-54.78	406.42	3.50	-51.28
COC1C[N@H+]2CCCC2(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028680812	1	54	0.0	-50.50	405.25	3.61	-46.89
O=C(CC1=CC2=C[NH+]=CN2C=C1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028680828	0	47	0.0	-66.06	386.41	7.01	-59.05
C[N@H+](CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300028680862	0	50	0.0	-63.70	391.50	5.05	-58.65
C[N@@H+](CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300028680862	1	50	0.0	-59.71	390.77	5.11	-54.60
C[NH+](C)CC1=CC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)=CC=N1	REAL300028680902	1	51	0.0	-66.97	405.65	4.92	-62.05
C[N@@H+]1CCC(=CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028680904	0	47	0.0	-68.75	371.77	4.21	-64.54
C[N@H+]1CCC(=CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028680904	1	47	0.0	-68.63	370.80	4.24	-64.39
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1C[NH+](C2CCCCC2)C1	REAL300028680932	0	56	0.0	-59.37	425.87	5.96	-53.41
C[NH+](C)CCOCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028680951	0	49	0.0	-63.27	389.42	3.64	-59.63
CCCCC[N@H+](C)CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028680958	0	57	0.0	-63.74	438.14	6.09	-57.65
CCCCC[N@@H+](C)CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028680958	1	57	0.0	-61.16	435.97	6.39	-54.77
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)O1	REAL300028680968	0	53	0.0	-65.74	409.75	4.74	-61.00
C=CCC(C)(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028680980	0	52	0.0	-54.95	388.94	4.60	-50.35
C[S+](C)CCC(O)C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028680985	0	48	0.0	-70.39	398.40	2.26	-68.13
C[N@@H+]1CC(O)CC1(C)C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028681023	0	50	0.0	-69.07	377.43	1.25	-67.82
CN1CC[N@H+](C)CC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028681038	0	54	0.0	-58.96	403.65	2.44	-56.52
CN1CC[N@@H+](C)CC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028681038	1	54	0.0	-58.96	403.65	2.44	-56.52
CC(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)N1CCCC(O)C1	REAL300028681039	0	53	0.0	-56.73	401.03	1.74	-54.99
CC(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300028681039	1	53	0.0	-57.04	402.75	1.69	-55.35
CC(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[N@H+]1CCCC(O)C1	REAL300028681039	1	53	0.0	-57.04	402.75	1.69	-55.35
O=C(CN1CCC(CO)CC1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028681055	0	53	0.0	-59.15	404.78	2.03	-57.12
O=C(C[NH+]1CCC(CO)CC1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028681055	1	53	0.0	-59.15	404.78	2.03	-57.12
C[N@@H+]1CCCC(O)(CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028681066	0	53	0.0	-62.29	402.19	3.17	-59.12
C[N@H+]1CCCC(O)(CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028681066	1	53	0.0	-62.29	402.19	3.17	-59.12
CC1CN(CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028681070	0	46	0.0	-59.90	363.63	3.74	-56.16
CC1C[NH+](CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028681070	1	46	0.0	-59.90	363.63	3.74	-56.16
NC(=O)C1CCN(CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028681075	0	53	0.0	-70.22	411.57	1.14	-69.08
NC(=O)C1CC[NH+](CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028681075	1	53	0.0	-70.22	411.57	1.14	-69.08
CN(CCO)CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028681101	0	46	0.0	-60.97	361.63	0.02	-60.95
C[N@H+](CCO)CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028681101	1	46	0.0	-57.24	360.38	0.16	-57.08
C[N@@H+](CCO)CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028681101	1	46	0.0	-57.24	360.38	0.16	-57.08
C[NH+]1C2CCC1CC(=CC(=O)NCC13CC(C1)CN3C(=O)C1=CC(=O)[N-]O1)C2	REAL300028681127	0	54	0.0	-65.43	404.42	5.83	-59.60
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1C[N@@H+]2CCN1CCC2	REAL300028681132	0	52	0.0	-57.53	377.18	1.80	-55.73
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1C[N@H+]2CCN1CCC2	REAL300028681132	1	52	0.0	-57.53	377.18	1.80	-55.73
CC[N@@H+]1CCCC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028681141	0	52	0.0	-54.39	383.77	5.26	-49.13
CC[N@H+]1CCCC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028681141	1	52	0.0	-54.39	383.77	5.26	-49.13
CC(CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300028681143	0	51	0.0	-66.89	390.74	4.59	-62.30
CC[N@H+](C)CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028681160	0	45	0.0	-58.88	351.28	3.25	-55.63
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C12CCC[N@@H+]1CCCC2	REAL300028681191	0	53	0.0	-61.13	378.14	5.33	-55.80
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C12CCC[N@H+]1CCCC2	REAL300028681191	1	53	0.0	-61.13	378.14	5.33	-55.80
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C12CCC[N@@H+]1CC=CC2	REAL300028681201	0	51	0.0	-61.42	376.35	5.20	-56.22
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C12CCC[N@H+]1CC=CC2	REAL300028681201	1	51	0.0	-61.42	376.35	5.20	-56.22
CC[N@H+](CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028681230	0	49	0.0	-56.73	379.60	4.60	-52.13
CC[NH+](CC)CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028681255	0	51	0.0	-61.54	391.50	4.50	-57.04
O=C(CCCC[NH+]1CCCCC1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028681295	0	58	0.0	-64.14	437.93	6.85	-57.29
CC1(O)CC[N@H+](CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028681330	0	50	0.0	-59.41	389.47	1.09	-58.32
C[NH+](C)CC=CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028681343	0	46	0.0	-68.89	369.51	3.81	-65.08
CC(OCC[NH+](C)C)C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028681373	0	52	0.0	-60.87	409.21	4.33	-56.54
C[NH+](C)CCOCCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028681385	0	52	0.0	-66.98	410.37	3.39	-63.59
COCCN(C)CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028681386	0	49	0.0	-56.74	382.64	2.57	-54.17
COCC[N@H+](C)CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028681386	1	49	0.0	-60.83	383.88	2.42	-58.41
COCC[N@@H+](C)CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028681386	1	49	0.0	-60.83	383.88	2.42	-58.41
COCCCC[N@H+](C)CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028681419	0	58	0.0	-63.75	448.15	4.68	-59.07
COCCCC[N@@H+](C)CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028681419	1	58	0.0	-63.75	448.15	4.68	-59.07
C[NH+](C)C1(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300028681445	0	52	0.0	-62.21	380.37	4.98	-57.23
CC(CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028681448	0	51	0.0	-60.97	386.89	4.32	-56.65
CCN1CCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028681459	0	46	0.0	-59.38	356.80	3.56	-55.82
CC[N@@H+]1CCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028681459	1	46	0.0	-58.86	356.06	3.19	-55.67
CC[N@H+]1CCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028681459	1	46	0.0	-58.86	356.06	3.19	-55.67
CC(C)[N@@H+]1CCCC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028681474	0	55	0.0	-58.42	410.77	5.61	-52.81
CC(C)[N@H+]1CCCC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028681474	1	55	0.0	-58.42	410.77	5.61	-52.81
CC(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[N@H+](C)CC1=CC=CC=C1	REAL300028681481	0	55	0.0	-60.73	428.43	6.59	-54.14
O=C(C[N@H+]1CCCC1CO)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028681490	0	50	0.0	-56.49	387.79	1.20	-55.29
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@@H+]2C1	REAL300028681520	0	53	0.0	-54.39	399.98	5.36	-49.03
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@H+]2C1	REAL300028681520	1	53	0.0	-54.39	399.98	5.36	-49.03
C[NH+]1CCC(C)(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028681530	0	52	0.0	-53.17	383.98	4.90	-48.27
CC(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)N1CCC(O)CC1	REAL300028681558	0	53	0.0	-61.51	404.43	1.48	-60.03
CC(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300028681558	1	53	0.0	-61.51	404.43	1.48	-60.03
C=CCC(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028681576	0	49	0.0	-55.93	380.17	4.26	-51.67
C[N@@H+]1CC(C)(C)CC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028681596	0	52	0.0	-54.89	393.85	4.73	-50.16
C[NH+](C)CCCCCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028681601	0	54	0.0	-68.82	420.41	5.50	-63.32
CC1C[N@@H+]2CCN1C(C(=O)NCC13CC(C1)CN3C(=O)C1=CC(=O)[N-]O1)C2	REAL300028681653	0	52	0.0	-71.00	385.99	1.69	-69.31
CCCC(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028681654	0	51	0.0	-55.28	385.58	4.34	-50.94
C[NH+](C)C(C)(C)C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028681659	0	48	0.0	-54.50	355.31	3.45	-51.05
CC[NH+](CC)CCSCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028681702	0	55	0.0	-67.84	431.69	5.61	-62.23
C[N@@H+]1CCCCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028681714	0	49	0.0	-59.33	361.34	4.14	-55.19
C[N@H+]1CC=C(CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028681770	0	50	0.0	-65.37	392.07	4.99	-60.38
C[N@@H+]1CC=C(CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028681770	1	50	0.0	-65.37	392.07	4.99	-60.38
O=C(CC1([NH+]2CCCC2)CC1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028681782	0	53	0.0	-57.69	397.62	5.47	-52.22
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028681841	0	58	0.0	-66.04	420.67	5.88	-60.16
C[N@H+]1CCCC(C(C)(C)C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028681841	1	58	0.0	-68.84	414.96	5.37	-63.47
C[NH+](C)CC1=CC=C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)O1	REAL300028681846	1	49	0.0	-63.75	396.01	4.45	-59.30
C[NH+](C)CC1=CC=C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C=N1	REAL300028681852	0	51	0.0	-70.12	405.30	4.49	-65.63
O=C(C=CC[NH+]1CCCC1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028681870	0	50	0.0	-67.09	395.85	5.01	-62.08
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CC[NH+](C2CC2)CC1	REAL300028681899	0	53	0.0	-58.99	401.12	5.61	-53.38
C[NH+](C)C1(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028681924	0	46	0.0	-66.27	360.50	3.85	-62.42
O=C(CC[NH+]1CCCC1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028681928	0	49	0.0	-61.90	381.88	4.32	-57.58
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCN1CC2	REAL300028681983	0	49	0.0	-68.73	368.07	1.31	-67.42
C[N@@H+]1CC2CC1(C(=O)NCC13CC(C1)CN3C(=O)C1=CC(=O)[N-]O1)C2	REAL300028681994	0	47	0.0	-53.44	359.58	3.78	-49.66
C[N@H+]1CC2CC1(C(=O)NCC13CC(C1)CN3C(=O)C1=CC(=O)[N-]O1)C2	REAL300028681994	1	47	0.0	-55.30	358.47	3.96	-51.34
O=C(C[N@@H+]1CC2CCC1C2)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028682010	0	50	0.0	-56.31	375.81	4.70	-51.61
O=C(C[N@H+]1CC2CCC1C2)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028682010	1	50	0.0	-56.97	376.47	4.62	-52.35
CC(C)[NH+]1CCC(CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028682024	0	58	0.0	-65.10	427.41	5.91	-59.19
O=C(C=C1C[NH+]2CCC1CC2)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028682076	0	51	0.0	-63.78	388.15	5.22	-58.56
O=C(C[N@@H+]1CC2C=CC1C2)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028682090	1	48	0.0	-55.34	371.77	4.71	-50.63
O=C(C[N@H+]1CC2C=CC1C2)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028682090	1	48	0.0	-56.04	372.53	4.66	-51.38
C[NH+](C)CC(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300028682131	0	55	0.0	-63.64	429.41	6.91	-56.73
CC[NH+]1CCN(CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028682134	0	54	0.0	-65.36	408.77	2.88	-62.48
CC(C[NH+](C)C)C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028682160	0	48	0.0	-62.67	371.96	3.86	-58.81
C[N@@H+]1CCCCC1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028682265	0	52	0.0	-58.50	384.66	4.73	-53.77
C[N@H+]1CCCCC1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028682265	1	52	0.0	-52.19	385.33	4.64	-47.55
CC1=C2C=C(C(=O)NCC34CC(C3)CN4C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300028682288	1	47	0.0	-63.25	383.86	6.95	-56.30
CC(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300028682289	1	49	0.0	-55.77	377.30	4.56	-51.21
CC1CC[N@@H+]1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028682293	1	46	0.0	-56.25	358.23	3.54	-52.71
CC1CC[N@H+]1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028682293	1	46	0.0	-57.71	363.88	3.80	-53.91
C[NH+](C)CC(O)CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028682298	0	49	0.0	-67.65	386.25	1.59	-66.06
CC1C[N@H+](C)CC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)O1	REAL300028682337	1	50	0.0	-71.41	391.52	3.85	-67.56
CC1C[N@@H+](C)CC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)O1	REAL300028682337	1	50	0.0	-70.27	384.39	3.69	-66.58
O=C(CC[NH+]1CCC(O)CC1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028682350	0	53	0.0	-62.78	406.02	1.92	-60.86
CCC[N@@H+]1CCCCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028682353	0	55	0.0	-56.86	399.51	5.56	-51.30
CCC[N@H+]1CCCCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028682353	1	55	0.0	-54.09	403.85	5.65	-48.44
CC[NH+]1CCN(CCC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028682358	0	57	0.0	-65.19	431.65	3.21	-61.98
CCN1CC[NH+](CCC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028682358	1	57	0.0	-62.74	432.16	3.24	-59.50
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300028682361	0	56	0.0	-64.07	403.09	5.43	-58.64
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300028682361	1	56	0.0	-52.88	404.07	6.19	-46.69
CC(C)C[NH+]1CCC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028682411	0	58	0.0	-63.04	434.58	6.34	-56.70
C[NH+](C)C1CCN(CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028682439	0	57	0.0	-68.67	425.85	3.45	-65.22
C[NH+](C)[C@H]1C[C@H](C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028682462	0	49	0.0	-65.79	380.79	4.61	-61.18
CC(CC[NH+](C)C)C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028682470	0	51	0.0	-65.66	393.59	4.48	-61.18
C[N@H+](CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300028682504	0	53	0.0	-56.74	403.45	1.94	-54.80
C[N@@H+](CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300028682504	1	53	0.0	-55.51	402.67	1.99	-53.52
C[NH+](C)C(CC1=CC=CC=C1)C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028682519	0	55	0.0	-65.02	416.86	6.47	-58.55
C[NH+]1CCN(CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028682521	1	51	0.0	-66.97	391.53	2.24	-64.73
CC[NH+]1CCN(CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028682533	0	54	0.0	-65.36	408.77	2.88	-62.48
NC(=[NH2+])SCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028682567	0	40	0.0	-61.36	342.08	-0.54	-61.90
CC[N@@H+]1CCOCC1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028682615	0	53	0.0	-63.64	400.72	3.15	-60.49
C[NH+](C)CCC1(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300028682634	0	58	0.0	-74.02	429.40	6.40	-67.62
CC1CCCC(C)[NH+]1CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028682636	0	58	0.0	-58.32	424.13	5.69	-52.63
C[NH+](C)C1CCC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028682639	0	55	0.0	-54.06	404.24	5.26	-48.80
C[NH+](C)CCC1(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028682640	0	52	0.0	-71.98	400.44	5.94	-66.04
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028682644	0	55	0.0	-53.69	401.24	5.40	-48.29
C[N@@H+]1CC=CCC1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028682645	0	50	0.0	-51.93	378.91	4.67	-47.26
C[N@H+]1CC=CCC1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028682645	1	50	0.0	-51.93	378.91	4.67	-47.26
C[C@@H](OCC[NH+](C)C)C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028682677	0	52	0.0	-64.78	403.88	4.60	-60.18
C[NH+]1C2CCC1CC(C(=O)NCC13CC(C1)CN3C(=O)C1=CC(=O)[N-]O1)C2	REAL300028682712	0	53	0.0	-62.89	376.49	5.14	-57.75
CC(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300028682875	1	50	0.0	-57.89	392.72	4.58	-53.31
CCC1C[NH+](CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028682878	1	49	0.0	-59.88	386.19	4.44	-55.44
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1C[NH+](C2CCOCC2)C1	REAL300028682880	0	54	0.0	-60.94	416.81	3.54	-57.40
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1([NH+]2CCCC2)CCC1	REAL300028682882	0	53	0.0	-53.40	392.01	4.86	-48.54
C[N@@H+]1CCC[C@H]1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028682893	0	46	0.0	-59.00	358.66	3.61	-55.39
C[N@H+]1CCC[C@H]1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028682893	1	46	0.0	-52.31	351.52	3.43	-48.88
O=C(CC[N@H+]1CCC(F)C1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028682903	0	49	0.0	-64.31	386.49	4.55	-59.76
O=C(CC[N@@H+]1CCC(F)C1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028682903	1	49	0.0	-63.34	386.34	4.65	-58.69
COC1C[N@H+](C)C(C)(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028682912	0	53	0.0	-66.91	398.79	3.64	-63.27
COC1C[N@@H+](C)C(C)(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028682912	1	53	0.0	-61.72	398.50	3.69	-58.03
O=C(CC[NH+]1CCCCCC1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028682925	0	55	0.0	-59.25	405.56	5.52	-53.73
O=C(C[NH+]1CCCCC1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028682928	0	49	0.0	-56.09	373.72	4.69	-51.40
CC1C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028682938	0	49	0.0	-63.77	374.13	3.85	-59.92
CC1C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028682938	1	49	0.0	-56.46	373.73	4.33	-52.13
C[N@@H+]1CCCCC1CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028682941	0	55	0.0	-62.96	405.35	5.59	-57.37
C[N@H+]1CCCCC1CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028682941	1	55	0.0	-62.28	414.23	5.59	-56.69
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CC[N@@H+]2CCOCC12	REAL300028682979	0	51	0.0	-60.31	386.74	3.10	-57.21
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CC[N@H+]2CCOCC12	REAL300028682979	1	51	0.0	-61.97	388.00	2.98	-58.99
CC1=[NH+]C=C2C=CC(C(=O)NCC34CC(C3)CN4C(=O)C3=CC(=O)[N-]O3)=CN21	REAL300028682987	0	47	0.0	-59.87	383.09	6.15	-53.72
C[N@@H+]1CCOCC1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028683010	1	50	0.0	-63.76	383.18	2.56	-61.20
C[N@H+]1CCOCC1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028683010	1	50	0.0	-63.25	382.69	2.58	-60.67
CC1=C(C)[NH+]=C(CCC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)N1	REAL300028683022	1	50	0.0	-57.83	403.79	3.87	-53.96
C[NH+](C)CCC1=CC=CC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)=C1	REAL300028683034	0	55	0.0	-73.65	432.03	7.19	-66.46
CC(C)C[N@@H+]1CCCC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028683042	0	58	0.0	-57.62	426.65	6.72	-50.90
CC(C)C[N@H+]1CCCC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028683042	1	58	0.0	-59.30	433.03	6.54	-52.76
C[N@@H+]1CCCC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028683210	0	46	0.0	-61.27	357.22	3.56	-57.71
C[N@H+]1CCCC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028683210	1	46	0.0	-67.54	352.60	3.42	-64.12
CC1=[NH+]C=CN1CCCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028683406	1	50	0.0	-62.52	404.19	5.90	-56.62
O=C(CCCC[NH+]1CCOCC1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028683410	1	56	0.0	-71.62	431.87	4.54	-67.08
C[NH+](C)CC1=CC=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C=C1	REAL300028683414	0	52	0.0	-83.42	406.23	5.94	-77.48
O=C(CC[NH+]1CCOCC1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028683415	1	50	0.0	-70.55	388.49	3.02	-67.53
CCC[NH+](CCC)CCCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028683435	0	60	0.0	-67.49	451.31	6.91	-60.58
O=C(NCC12CC(C1)CN2C(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC(=O)[N-]O1	REAL300028683463	1	44	0.0	-78.17	358.93	5.95	-72.22
C[NH+](C)C1CCCC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028683533	0	55	0.0	-53.74	401.94	5.32	-48.42
C[N@@H+]1CCC(CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028683540	0	49	0.0	-69.25	381.23	4.37	-64.88
C[N@H+]1CCC(CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028683540	1	49	0.0	-67.43	380.78	4.42	-63.01
CCC(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028683557	0	48	0.0	-66.03	364.97	4.06	-61.97
O=C(NCC12CC(C1)CN2C(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1)C1=CC(=O)[N-]O1	REAL300028683567	1	47	0.0	-86.63	390.92	4.49	-82.14
CC1CC2CCC(C(=O)N3CC4CC3(CNC(=O)C3=CC(=O)[N-]O3)C4)C[N@@H+]2C1	REAL300028683612	0	56	0.0	-65.34	421.69	6.19	-59.15
CC1CC2CCC(C(=O)N3CC4CC3(CNC(=O)C3=CC(=O)[N-]O3)C4)C[N@H+]2C1	REAL300028683612	1	56	0.0	-68.25	422.51	6.15	-62.10
C[NH+](C)CCCCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028683645	0	51	0.0	-70.08	398.58	5.13	-64.95
CCC[N@H+](C)CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028683666	0	51	0.0	-68.46	394.82	4.97	-63.49
CCC[N@@H+](C)CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028683666	1	51	0.0	-68.67	395.80	4.83	-63.84
CCC[N@H+](C)CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028683671	0	48	0.0	-64.83	372.44	4.39	-60.44
CCC[N@@H+](C)CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028683671	1	48	0.0	-65.15	373.50	4.26	-60.89
O=C(NCC12CC(C1)CN2C(=O)C12CC[N@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300028683695	0	50	0.0	-79.26	366.00	3.82	-75.44
O=C(NCC12CC(C1)CN2C(=O)C12CC[N@@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300028683695	1	50	0.0	-68.58	367.92	3.73	-64.85
CCCCCC[N@H+](C)CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028683737	0	57	0.0	-65.98	436.94	6.74	-59.24
CCCCCC[N@@H+](C)CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028683737	1	57	0.0	-65.96	437.88	6.68	-59.28
CC1CC[NH+](CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028683786	0	52	0.0	-67.58	396.74	5.39	-62.19
O=C(NCC12CC(C1)CN2C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C1=CC(=O)[N-]O1	REAL300028683812	1	47	0.0	-74.15	387.29	4.05	-70.10
C[NH+]1CCC(OCC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028683820	0	53	0.0	-76.02	413.17	4.97	-71.05
O=C(NCC12CC(C1)CN2C(=O)C1CC2CCCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300028683880	0	53	0.0	-65.43	398.46	5.50	-59.93
O=C(NCC12CC(C1)CN2C(=O)C1CC2CCCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300028683880	1	53	0.0	-74.41	399.78	5.22	-69.19
C[NH+](C)CC1(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028683894	0	49	0.0	-78.68	375.61	4.66	-74.02
CC1=[NH+]C=C2CCC(C(=O)N3CC4CC3(CNC(=O)C3=CC(=O)[N-]O3)C4)CN21	REAL300028683895	1	51	0.0	-65.08	402.50	5.49	-59.59
CC(C)[NH+]1CCC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028683905	0	55	0.0	-71.06	413.20	5.70	-65.36
CC[N@H+](C)CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028683940	0	48	0.0	-67.79	374.30	4.10	-63.69
CC[N@@H+](C)CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028683940	1	48	0.0	-67.56	373.32	4.22	-63.34
O=C(NCC12CC(C1)CN2C(=O)C1C[NH+]2CCC1CC2)C1=CC(=O)[N-]O1	REAL300028683987	0	50	0.0	-74.98	372.35	4.38	-70.60
C[NH+]1CCC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028684076	0	49	0.0	-70.94	379.35	4.34	-66.60
O=C(NCC12CC(C1)CN2C(=O)C1CC[NH+](CC2CC2)CC1)C1=CC(=O)[N-]O1	REAL300028684169	0	56	0.0	-71.64	428.54	6.54	-65.10
CC[NH+](CC)CC(F)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028684213	0	51	0.0	-65.51	391.07	4.67	-60.84
CC(C)C[N@@H+]1CCC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028684248	0	55	0.0	-66.88	416.49	5.63	-61.25
CC(C)C[N@H+]1CCC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028684248	1	55	0.0	-66.88	417.35	5.82	-61.06
CCC(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](CC)CC	REAL300028684278	0	54	0.0	-66.22	393.64	5.31	-60.91
CC1CCC[N@@H+]1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028684303	0	49	0.0	-63.34	380.05	4.57	-58.77
CC1CCC[N@H+]1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028684303	1	49	0.0	-61.31	372.30	4.30	-57.01
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028684391	1	53	0.0	-62.32	418.63	6.15	-56.17
CC(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCCC1	REAL300028684395	0	55	0.0	-62.82	402.38	5.29	-57.53
CC(C)[N@@H+]1CCCC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028684428	0	52	0.0	-61.87	388.89	4.95	-56.92
CC(C)[N@H+]1CCCC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028684428	1	52	0.0	-61.01	389.38	4.66	-56.35
CC(C)[N@@H+]1CCCC1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028684438	0	55	0.0	-66.20	406.18	4.25	-61.95
CC(C)[N@H+]1CCCC1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028684438	1	55	0.0	-65.67	414.19	5.27	-60.40
CC1CC[N@H+](CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028684492	0	49	0.0	-64.98	378.53	4.67	-60.31
CC1CC[N@@H+](CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028684492	1	49	0.0	-65.16	380.13	4.46	-60.70
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028684493	0	55	0.0	-63.26	413.50	5.15	-58.11
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028684493	1	55	0.0	-62.56	412.46	5.13	-57.43
CC1=[NH+]C=C2CC(C(=O)N3CC4CC3(CNC(=O)C3=CC(=O)[N-]O3)C4)CCN21	REAL300028684494	1	51	0.0	-69.07	398.56	5.35	-63.72
C[NH+](C)CCC1=CC=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C=C1	REAL300028684496	0	55	0.0	-85.10	428.74	6.78	-78.32
CC1(C)CC[N@H+](CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028684498	0	52	0.0	-64.55	399.76	5.05	-59.50
CC1(C)CC[N@@H+](CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028684498	1	52	0.0	-65.29	399.20	5.11	-60.18
C[N@H+](CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300028684499	0	54	0.0	-65.53	402.12	5.25	-60.28
C[N@@H+](CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300028684499	1	54	0.0	-66.13	403.35	5.55	-60.58
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028684500	0	55	0.0	-67.03	432.35	7.42	-59.61
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028684500	1	55	0.0	-67.14	433.41	7.30	-59.84
CC[C@@H](C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028684509	0	48	0.0	-63.74	366.17	3.96	-59.78
CC(COCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCC1	REAL300028684516	0	56	0.0	-62.24	432.20	5.59	-56.65
CN(CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)C1=CC=[NH+]C=C1	REAL300028684672	0	51	0.0	-68.96	408.08	4.59	-64.37
CC1=[NH+]C=CN1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028684784	1	44	0.0	-58.46	362.65	4.59	-53.87
CC(C[NH+]1CCOCC1)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028684786	1	53	0.0	-68.79	405.55	3.56	-65.23
O=C(CCC[NH+]1CCCCC1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028684804	0	55	0.0	-66.97	418.64	6.14	-60.83
C[NH+](C)CC1=CC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=NO1	REAL300028684821	1	48	0.0	-72.96	389.43	4.01	-68.95
CC1=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C=CC2=C[NH+]=CN21	REAL300028684823	0	47	0.0	-72.28	385.91	6.69	-65.59
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028684874	1	50	0.0	-59.77	384.78	5.77	-54.00
O=C(NCC12CC(C1)CN2C(=O)C1CCCC2CCC[N@@H+]21)C1=CC(=O)[N-]O1	REAL300028684921	0	53	0.0	-60.33	400.07	5.68	-54.65
O=C(NCC12CC(C1)CN2C(=O)C1CCCC2CCC[N@H+]21)C1=CC(=O)[N-]O1	REAL300028684921	1	53	0.0	-58.68	393.80	5.43	-53.25
CC[N@@H+]1CCOC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028684953	1	50	0.0	-75.11	376.89	3.52	-71.59
CC[N@H+]1CCOC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028684953	1	50	0.0	-80.44	384.92	3.59	-76.85
O=C(NCC12CC(C1)CN2C(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC(=O)[N-]O1	REAL300028685021	0	44	0.0	-69.97	357.95	6.01	-63.96
CC1=C[NH+]=CN1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028685026	1	44	0.0	-63.94	362.98	5.32	-58.62
C[NH+](C)CCN1C=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C=N1	REAL300028685032	0	52	0.0	-75.20	412.31	4.10	-71.10
C[NH+](C)CCN1C=CC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300028685045	0	52	0.0	-88.80	415.91	4.56	-84.24
C[C@@H]1[C@H](C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300028685052	0	49	0.0	-71.67	370.99	3.77	-67.90
C[C@@H]1[C@H](C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300028685052	1	49	0.0	-69.21	374.95	4.42	-64.79
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028685054	1	53	0.0	-62.47	420.11	6.14	-56.33
CC[C@@H]1[C@@H](C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300028685057	0	52	0.0	-71.67	386.73	4.41	-67.26
CC[C@@H]1[C@@H](C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300028685057	1	52	0.0	-67.63	393.30	4.67	-62.96
CC1CCC(C)[NH+]1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028685076	0	52	0.0	-62.89	389.19	4.83	-58.06
O=C(CCC[NH+]1CCCC1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028685083	0	52	0.0	-66.05	403.44	5.47	-60.58
C[NH+](C)CC1=CC=CC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028685084	0	52	0.0	-69.72	406.20	5.93	-63.79
C#CC[NH+]1CCC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028685090	0	51	0.0	-73.32	404.52	5.52	-67.80
O=C(CC[NH+]1CCCCC1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028685091	0	52	0.0	-66.77	397.22	5.43	-61.34
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028685110	1	51	0.0	-66.89	405.87	6.92	-59.97
C[NH+](C)CC1(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CCCCC1	REAL300028685145	0	58	0.0	-71.52	408.92	5.84	-65.68
C[N@H+](CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)C1CCCCC1	REAL300028685149	0	58	0.0	-70.42	431.63	6.60	-63.82
C[N@@H+](CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)C1CCCCC1	REAL300028685149	1	58	0.0	-70.39	432.62	6.47	-63.92
C[NH+](C)C1(CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300028685152	0	55	0.0	-74.59	397.13	5.40	-69.19
C[N@H+](CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300028685371	0	49	0.0	-62.23	380.37	4.84	-57.39
C[N@@H+](CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300028685371	1	49	0.0	-63.21	379.36	4.97	-58.24
CC(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1C(C)CCC1C	REAL300028685400	0	55	0.0	-63.46	391.27	4.69	-58.77
O=C(CCCC[NH+]1CCCC1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028685420	0	55	0.0	-68.44	424.55	6.31	-62.13
C[N@H+](CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300028685423	1	52	0.0	-70.48	410.93	6.45	-64.03
C[N@@H+](CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300028685423	1	52	0.0	-70.99	409.93	6.58	-64.41
C[NH+]1CCC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028685439	0	49	0.0	-70.94	379.35	4.34	-66.60
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028685494	0	46	0.0	-63.18	351.02	3.45	-59.73
C[N@H+]1CCC[C@@H]1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028685494	1	46	0.0	-61.47	354.86	3.76	-57.71
C[N@@H+]1CCCC1CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028685525	0	52	0.0	-63.95	395.49	4.96	-58.99
C[N@H+]1CCCC1CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028685525	1	52	0.0	-63.89	396.13	4.89	-59.00
O=C(NCC12CC(C1)CN2C(=O)C1CCC2CCCC[N@@H+]21)C1=CC(=O)[N-]O1	REAL300028685541	0	53	0.0	-62.56	400.20	5.50	-57.06
O=C(NCC12CC(C1)CN2C(=O)C1CCC2CCCC[N@H+]21)C1=CC(=O)[N-]O1	REAL300028685541	1	53	0.0	-64.68	392.75	5.42	-59.26
CCC[N@@H+]1CCCC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028685626	0	55	0.0	-69.75	407.06	5.67	-64.08
CCC[N@H+]1CCCC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028685626	1	55	0.0	-67.08	418.14	5.80	-61.28
CC(C)[N@@H+]1CCOC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028685643	1	53	0.0	-66.33	394.68	3.92	-62.41
CC(C)[N@H+]1CCOC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028685643	1	53	0.0	-72.70	394.87	3.88	-68.82
O=C(C[NH+]1CCC(CO)CC1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028685722	0	53	0.0	-72.06	407.57	2.08	-69.98
C[NH+]1C2CCC1CC(=CC(=O)N1CC3CC1(CNC(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300028685763	0	54	0.0	-62.73	407.29	5.69	-57.04
CC1C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300028685782	0	49	0.0	-63.86	372.82	3.83	-60.03
CC1C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300028685782	1	49	0.0	-67.19	369.66	4.27	-62.92
C[N@@H+]1CCCCC1CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028685786	0	55	0.0	-71.38	407.70	5.68	-65.70
C[N@H+]1CCCCC1CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028685786	1	55	0.0	-71.47	408.19	5.60	-65.87
NC1=[NH+]C2=C(C=C1C(=O)N1CC3CC1(CNC(=O)C1=CC(=O)[N-]O1)C3)CCC2	REAL300028685822	1	49	0.0	-57.00	386.07	3.57	-53.43
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028685895	0	52	0.0	-65.73	395.68	4.54	-61.19
CC(C)(C)[N@H+]1CCC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028685895	1	52	0.0	-63.16	395.85	4.56	-58.60
O=C(NCC12CC(C1)CN2C(=O)C1CCN(C2=CC=[NH+]C=C2)C1)C1=CC(=O)[N-]O1	REAL300028685913	0	52	0.0	-70.71	406.53	3.09	-67.62
C[C@@H](C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028685918	0	45	0.0	-63.20	348.19	3.25	-59.95
C[NH+](C)CC1=CC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=CC=N1	REAL300028685939	1	51	0.0	-63.67	402.73	4.05	-59.62
C=CCC(C)(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028685945	0	52	0.0	-73.97	377.63	4.91	-69.06
CC[NH+](CC)CCSCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028685979	0	55	0.0	-73.02	436.21	6.25	-66.77
NC1=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C=[NH+]C2=CC=CC=C21	REAL300028685980	1	48	0.0	-65.57	384.98	2.98	-62.59
O=C(CC[NH+]1CCCC1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028685985	0	49	0.0	-67.42	380.34	4.57	-62.85
C[N@H+](CCO)CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028685994	1	46	0.0	-67.01	362.36	0.29	-66.72
C[N@@H+](CCO)CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028685994	1	46	0.0	-65.47	361.08	0.42	-65.05
O=C(NCC12CC(C1)CN2C(=O)C1C[N@@H+]2CCN1CCC2)C1=CC(=O)[N-]O1	REAL300028686032	0	52	0.0	-79.54	382.64	2.08	-77.46
O=C(NCC12CC(C1)CN2C(=O)C1C[N@H+]2CCN1CCC2)C1=CC(=O)[N-]O1	REAL300028686032	1	52	0.0	-84.96	377.70	2.24	-82.72
CC(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCSCC1	REAL300028686062	1	50	0.0	-67.27	392.48	4.85	-62.42
C[N@H+]1CC=C(CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028686108	0	50	0.0	-60.50	392.33	5.34	-55.16
C[N@@H+]1CC=C(CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028686108	1	50	0.0	-57.96	393.96	5.14	-52.82
C[S+](C)CCC(O)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028686125	0	48	0.0	-81.31	393.43	2.27	-79.04
CN1CC[N@H+](C)CC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028686167	0	54	0.0	-63.40	402.00	2.73	-60.67
CN1CC[N@@H+](C)CC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028686167	1	54	0.0	-63.25	398.85	2.19	-61.06
CC(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[N@@H+]1CCCC(O)C1	REAL300028686168	0	53	0.0	-66.23	405.08	1.70	-64.53
CC(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[N@H+]1CCCC(O)C1	REAL300028686168	1	53	0.0	-61.70	404.08	1.76	-59.94
C[N@@H+]1CCCC(O)(CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028686209	0	53	0.0	-66.37	401.21	3.29	-63.08
C[N@H+]1CCCC(O)(CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028686209	1	53	0.0	-67.30	391.95	2.99	-64.31
CC1C[NH+](CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028686215	1	46	0.0	-66.02	366.07	3.87	-62.15
CC[N@@H+]1CCCC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028686221	0	52	0.0	-69.29	388.39	5.21	-64.08
CC[N@H+]1CCCC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028686221	1	52	0.0	-73.44	386.39	4.95	-68.49
NC1=[NH+]C=CC=C1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028686234	0	45	0.0	-55.44	367.85	2.74	-52.70
O=C(NCC12CC(C1)CN2C(=O)C1CCC[N@@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300028686247	0	50	0.0	-67.38	384.34	4.81	-62.57
O=C(NCC12CC(C1)CN2C(=O)C1CCC[N@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300028686247	1	50	0.0	-67.31	377.65	4.53	-62.78
O=C(C=CC[NH+]1CCCC1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028686301	0	50	0.0	-70.55	394.95	5.38	-65.17
O=C(NCC12CC(C1)CN2C(=O)C1CC[NH+](C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300028686329	0	53	0.0	-70.05	407.54	5.90	-64.15
CC[N@H+](C)CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028686375	0	45	0.0	-64.92	352.00	3.52	-61.40
O=C(CN1CC2C=CC1C2)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028686444	0	48	0.0	-60.27	373.35	4.71	-55.56
O=C(C[N@@H+]1CC2C=CC1C2)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028686444	1	48	0.0	-64.99	373.00	4.90	-60.09
O=C(C[N@H+]1CC2C=CC1C2)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028686444	1	48	0.0	-64.99	373.00	4.90	-60.09
CC1=CC=C(NCCC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)N=C1	REAL300028686467	0	51	0.0	-64.21	412.08	4.40	-59.81
CC1=CC=C(NCCC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)[NH+]=C1	REAL300028686467	1	51	0.0	-64.21	412.08	4.40	-59.81
CC(OCC[NH+](C)C)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028686611	0	52	0.0	-56.99	404.04	4.38	-52.61
C[NH+](C)CCOCCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028686624	0	52	0.0	-70.17	410.03	3.81	-66.36
COCCN(C)CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028686626	0	49	0.0	-64.86	383.33	2.82	-62.04
COCC[N@H+](C)CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028686626	1	49	0.0	-67.79	384.61	2.68	-65.11
COCC[N@@H+](C)CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028686626	1	49	0.0	-67.79	384.61	2.68	-65.11
CC(CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028686633	0	51	0.0	-64.35	390.96	4.69	-59.66
CC[N@H+](CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300028686672	0	49	0.0	-64.17	374.66	4.90	-59.27
CC1C[N@@H+]2CCN1C(C(=O)N1CC3CC1(CNC(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300028686683	0	52	0.0	-75.53	383.33	1.70	-73.83
CC1=NC(N)=CC=C1C=CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028686727	0	49	0.0	-69.21	398.59	3.52	-65.69
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028686727	1	49	0.0	-69.21	398.59	3.52	-65.69
O=C(C[N@@H+]1CC2CCC1C2)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028686735	0	50	0.0	-63.26	378.09	4.80	-58.46
O=C(C[N@H+]1CC2CCC1C2)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028686735	1	50	0.0	-63.26	378.09	4.80	-58.46
CC(C)[NH+]1CCC(CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028686751	0	58	0.0	-62.68	431.65	6.50	-56.18
CC(C[NH+](C)C)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028686765	0	48	0.0	-69.41	372.68	4.07	-65.34
CCN1CCC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028686820	0	46	0.0	-65.40	354.20	3.49	-61.91
CC[N@@H+]1CCC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028686820	1	46	0.0	-63.81	358.50	3.40	-60.41
CC[N@H+]1CCC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028686820	1	46	0.0	-63.81	358.50	3.40	-60.41
CC(C)[N@@H+]1CCCC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028686835	0	55	0.0	-65.12	405.83	5.60	-59.52
CC(C)[N@H+]1CCCC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028686835	1	55	0.0	-65.12	405.83	5.60	-59.52
CCC(C)(C)[NH2+]C(C)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028686856	0	54	0.0	-61.42	397.94	3.40	-58.02
C#CC[N@H+]1CCCCC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028686908	1	51	0.0	-61.63	399.21	5.63	-56.00
C#CC[N@@H+]1CCCCC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028686908	1	51	0.0	-65.50	388.42	5.13	-60.37
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028686911	1	48	0.0	-60.59	381.73	3.43	-57.16
NC1=CC=[NH+]C=C1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028686912	0	42	0.0	-70.32	341.77	0.86	-69.46
C[NH+](C)C(CC1=CC=CC=C1)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028686918	0	55	0.0	-68.72	420.25	6.72	-62.00
CCCC(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028686925	0	51	0.0	-66.80	386.23	4.83	-61.97
CC(CC[NH+](C)C)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028686954	0	51	0.0	-65.65	394.64	4.68	-60.97
O=C(NCC12CC(C1)CN2C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1=CC(=O)[N-]O1	REAL300028687013	0	56	0.0	-79.36	405.96	5.56	-73.80
O=C(NCC12CC(C1)CN2C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1=CC(=O)[N-]O1	REAL300028687013	1	56	0.0	-55.17	405.46	6.04	-49.13
COCCCC[N@H+](C)CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028687092	0	58	0.0	-72.47	449.99	4.82	-67.65
COCCCC[N@@H+](C)CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028687092	1	58	0.0	-72.67	450.97	4.68	-67.99
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028687102	0	52	0.0	-62.47	391.80	4.53	-57.94
C[N@H+]1CC(C)(C)CC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028687102	1	52	0.0	-62.40	397.34	4.76	-57.64
C[NH+](C)CCCCCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028687108	0	54	0.0	-69.64	420.08	5.92	-63.72
O=C(CC[NH+]1CCC(O)CC1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028687114	0	53	0.0	-68.96	408.72	2.02	-66.94
CCC[N@@H+]1CCCCC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028687119	0	55	0.0	-63.51	414.17	5.85	-57.66
CCC[N@H+]1CCCCC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028687119	1	55	0.0	-64.41	401.32	5.44	-58.97
CC[NH+]1CCN(CCC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028687129	0	57	0.0	-70.65	432.88	3.53	-67.12
CCN1CC[NH+](CCC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028687129	1	57	0.0	-68.37	432.22	3.60	-64.77
C[NH+]1CCN(CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028687133	1	51	0.0	-65.77	392.62	2.43	-63.34
CC(C)C[NH+]1CCC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028687261	0	58	0.0	-71.07	435.95	6.39	-64.68
CC1C[N@H+](C)CC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300028687264	1	50	0.0	-84.16	380.61	3.36	-80.80
CC1C[N@@H+](C)CC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300028687264	1	50	0.0	-77.70	380.31	3.62	-74.08
CCC1CCC[N@H+](CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028687302	0	55	0.0	-67.72	408.76	5.85	-61.87
CCC1CCC[N@@H+](CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028687302	1	55	0.0	-66.07	414.94	5.99	-60.08
C[NH+](C)CC1=CC=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300028687312	0	50	0.0	-88.17	397.02	3.97	-84.20
O=C(C[NH+]1CC2CC2C1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028687334	0	47	0.0	-66.00	369.61	4.72	-61.28
O=C(CC1([NH+]2CCCC2)CC1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028687354	0	53	0.0	-63.56	399.26	5.67	-57.89
CC([NH2+]C1(CO)CCCC1)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028687373	0	56	0.0	-64.16	416.01	0.73	-63.43
C[N@@H+]1CCCCC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028687404	0	49	0.0	-61.97	362.16	4.10	-57.87
C[N@H+]1CCCCC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028687404	1	49	0.0	-60.84	374.83	4.52	-56.32
O=C(NCC12CC(C1)CN2C(=O)C1CC[N@@H+]1CC1=CC=CC=C1)C1=CC(=O)[N-]O1	REAL300028687410	1	53	0.0	-65.23	417.65	6.64	-58.59
O=C(NCC12CC(C1)CN2C(=O)C1CC[N@H+]1CC1=CC=CC=C1)C1=CC(=O)[N-]O1	REAL300028687410	1	53	0.0	-65.86	413.21	6.58	-59.28
CC(C)C[N@@H+]1CCCC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028687417	0	58	0.0	-68.26	435.65	6.49	-61.77
CC(C)C[N@H+]1CCCC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028687417	1	58	0.0	-65.26	429.62	6.43	-58.83
C[NH+](C)C1CCN(CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028687475	0	57	0.0	-65.07	426.56	3.68	-61.39
C[N@@H+]1CCC(=CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028687541	0	47	0.0	-68.57	372.49	4.38	-64.19
C[N@H+]1CCC(=CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028687541	1	47	0.0	-68.80	371.09	4.49	-64.31
O=C(CNC1=CC=[NH+]C=C1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028687549	0	45	0.0	-68.86	368.93	2.25	-66.61
CC[NH+]1CCN(CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028687612	0	54	0.0	-64.82	409.87	3.07	-61.75
O=C(C=C1C[NH+]2CCC1CC2)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028687613	0	51	0.0	-55.73	389.95	5.31	-50.42
C[N@H+](CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300028687674	0	53	0.0	-60.30	404.18	2.21	-58.09
C[N@@H+](CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300028687674	1	53	0.0	-62.97	405.10	2.07	-60.90
O=C(NCC12CC(C1)CN2C(=O)C1C[NH+](C2CCOCC2)C1)C1=CC(=O)[N-]O1	REAL300028687683	0	54	0.0	-73.30	417.67	3.87	-69.43
C[N@@H+]1CCC[C@H]1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028687699	0	46	0.0	-62.42	356.67	3.83	-58.59
C[N@H+]1CCC[C@H]1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028687699	1	46	0.0	-63.43	353.00	3.30	-60.13
CCN1CCOCC1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028687737	0	53	0.0	-67.36	399.79	3.03	-64.33
CC[N@@H+]1CCOCC1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028687737	1	53	0.0	-71.85	403.83	3.18	-68.67
CC[N@H+]1CCOCC1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028687737	1	53	0.0	-71.85	403.83	3.18	-68.67
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)NC2=C1CCC[NH2+]2)C1=CC(=O)[N-]O1	REAL300028687744	0	50	0.0	-83.22	401.26	2.35	-80.87
O=C(NCC12CC(C1)CN2C(=O)C1C[NH+](C2CCCCC2)C1)C1=CC(=O)[N-]O1	REAL300028687764	0	56	0.0	-71.58	426.47	6.23	-65.35
NC1=NC2=CC(C(=O)N3CC4CC3(CNC(=O)C3=CC(=O)[N-]O3)C4)=CC=C2N1	REAL300028687842	0	46	0.0	-77.06	372.25	3.70	-73.36
NC1=[NH+]C2=CC(C(=O)N3CC4CC3(CNC(=O)C3=CC(=O)[N-]O3)C4)=CC=C2N1	REAL300028687842	1	46	0.0	-77.06	372.25	3.70	-73.36
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028687889	0	49	0.0	-65.13	383.30	4.67	-60.46
CC1CCCC(C)[NH+]1CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028687901	0	58	0.0	-63.39	427.23	6.13	-57.26
C[NH+](C)C1CCC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028687904	0	55	0.0	-49.32	397.95	5.51	-43.81
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028687908	0	55	0.0	-52.54	401.45	5.37	-47.17
C[N@@H+]1CC=CCC1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028687909	0	50	0.0	-74.34	386.01	4.86	-69.48
C[N@H+]1CC=CCC1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028687909	1	50	0.0	-53.89	379.94	4.94	-48.95
CC1=CC(C=CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=C[NH+]=C1N	REAL300028687973	1	49	0.0	-74.17	398.75	3.86	-70.31
C[NH+](C)CCOCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028687989	0	49	0.0	-61.62	389.09	3.92	-57.70
CCCCC[N@H+](C)CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028687996	0	57	0.0	-69.23	437.81	6.53	-62.70
CCCCC[N@@H+](C)CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028687996	1	57	0.0	-69.44	438.79	6.39	-63.05
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300028688009	0	53	0.0	-66.26	410.55	4.60	-61.66
[NH2+]=C1SC=CN1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028688035	0	42	0.0	-58.39	360.29	3.17	-55.22
C[C@@H](OCC[NH+](C)C)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028688118	0	52	0.0	-65.06	405.63	4.21	-60.85
O=C(CC[NH+]1CCCCCC1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028688183	0	55	0.0	-68.66	408.23	5.51	-63.15
C[N@@H+]1CCCC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028688190	0	49	0.0	-73.70	368.64	4.33	-69.37
C[N@H+]1CCCC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028688190	1	49	0.0	-73.70	368.64	4.33	-69.37
O=C(C[NH+]1CCCCCC1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028688198	0	52	0.0	-63.53	384.58	4.98	-58.55
CN1C=C[N+](CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028688205	0	44	0.0	-59.26	364.84	6.45	-52.81
CN(C)CC1=CC=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300028688225	0	49	0.0	-81.96	395.11	4.61	-77.35
C[NH+](C)CC1=CC=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300028688225	1	49	0.0	-81.96	395.11	4.61	-77.35
C[N@H+](CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300028688255	0	46	0.0	-62.39	363.61	4.27	-58.12
CC(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)N1CCN(C)CC1	REAL300028688257	0	54	0.0	-63.60	400.54	2.42	-61.18
CC(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)N1CC[NH+](C)CC1	REAL300028688257	1	54	0.0	-63.60	400.54	2.42	-61.18
O=C(CC[N@H+]1CCC(F)C1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028688263	0	49	0.0	-73.05	388.36	4.75	-68.30
C[NH+](C)CCC1=CC=CC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028688294	0	55	0.0	-71.35	428.74	6.77	-64.58
CC(CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300028688300	0	51	0.0	-66.89	390.24	5.02	-61.87
O=C(NCC12CC(C1)CN2C(=O)C1CC[N@@H+]2CCOCC12)C1=CC(=O)[N-]O1	REAL300028688321	0	51	0.0	-75.73	389.90	3.10	-72.63
O=C(NCC12CC(C1)CN2C(=O)C1CC[N@H+]2CCOCC12)C1=CC(=O)[N-]O1	REAL300028688321	1	51	0.0	-75.73	389.90	3.10	-72.63
CN1CCOCC1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028688352	0	50	0.0	-56.00	377.92	2.46	-53.54
C[N@@H+]1CCOCC1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028688352	1	50	0.0	-77.62	384.37	2.76	-74.86
C[N@H+]1CCOCC1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028688352	1	50	0.0	-77.62	384.37	2.76	-74.86
C[NH+](C)CC(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300028688360	0	55	0.0	-81.59	429.06	6.87	-74.72
CC1=CC(N)=NC=C1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028688423	0	45	0.0	-71.49	362.57	2.14	-69.35
CC1=CC(N)=[NH+]C=C1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028688423	1	45	0.0	-71.49	362.57	2.14	-69.35
CC1(O)CC[N@H+](CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028688482	0	50	0.0	-67.13	389.71	1.41	-65.72
C[NH+](C)CCN1N=CC=C1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028688492	0	52	0.0	-44.54	404.56	4.37	-40.17
C[NH+]1CC(CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028688526	0	46	0.0	-67.12	364.66	3.82	-63.30
O=C(NCC12CC(C1)CN2C(=O)C1CC[N@@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300028688532	0	53	0.0	-67.52	403.84	5.76	-61.76
O=C(NCC12CC(C1)CN2C(=O)C1CC[N@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300028688532	1	53	0.0	-67.52	403.84	5.76	-61.76
C[N@H+](CCO)CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028688585	0	49	0.0	-66.62	383.65	0.98	-65.64
C[N@@H+](CCO)CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028688585	1	49	0.0	-66.62	383.65	0.98	-65.64
C[N@@H+]1CCCCC1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028688608	0	52	0.0	-73.30	392.98	5.13	-68.17
C[N@H+]1CCCCC1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028688608	1	52	0.0	-73.30	392.98	5.13	-68.17
CC1=C2C=C(C(=O)N3CC4CC3(CNC(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=N1	REAL300028688635	0	47	0.0	-76.89	380.17	6.59	-70.30
CC1=C2C=C(C(=O)N3CC4CC3(CNC(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300028688635	1	47	0.0	-76.89	380.17	6.59	-70.30
CC1CCN1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028688641	0	46	0.0	-62.87	359.41	3.74	-59.13
CC1CC[N@@H+]1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028688641	1	46	0.0	-64.26	366.56	3.76	-60.50
CC1CC[N@H+]1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028688641	1	46	0.0	-64.26	366.56	3.76	-60.50
C[NH+](C)CC=CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028688657	0	46	0.0	-71.99	368.61	4.17	-67.82
CC1(C)CN(CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028688672	0	49	0.0	-67.04	383.62	4.56	-62.48
CC1(C)C[NH+](CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028688672	1	49	0.0	-67.04	383.62	4.56	-62.48
O=C(CCCC[NH+]1CCCCC1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028688686	0	58	0.0	-68.15	440.61	6.95	-61.20
CC1=C(C)NC(CCC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300028688699	0	50	0.0	-61.78	404.39	4.21	-57.57
CC1=C(C)[NH+]=C(CCC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300028688699	1	50	0.0	-61.78	404.39	4.21	-57.57
C[NH+]1CCC(C2(C(=O)N3CC4CC3(CNC(=O)C3=CC(=O)[N-]O3)C4)CC2)CC1	REAL300028688710	0	56	0.0	-73.60	421.80	5.88	-67.72
CC1=C2C=C(C(=O)N3CC4CC3(CNC(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=N1	REAL300028688719	0	47	0.0	-76.89	380.17	6.59	-70.30
CC1=C2C=C(C(=O)N3CC4CC3(CNC(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300028688719	1	47	0.0	-76.89	380.17	6.59	-70.30
C[NH+](C)CCSCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028688730	0	49	0.0	-75.40	400.11	4.94	-70.46
CC(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[N@H+](C)CC1=CC=CC=C1	REAL300028688749	0	55	0.0	-69.47	427.47	6.89	-62.58
NC1=NC2=C(C=C1C(=O)N1CC3CC1(CNC(=O)C1=CC(=O)[N-]O1)C3)CCCC2	REAL300028688753	0	52	0.0	-58.09	403.77	4.30	-53.79
NC1=[NH+]C2=C(C=C1C(=O)N1CC3CC1(CNC(=O)C1=CC(=O)[N-]O1)C3)CCCC2	REAL300028688753	1	52	0.0	-58.09	403.77	4.30	-53.79
O=C(C[N@H+]1CCCC1CO)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028688761	0	50	0.0	-66.84	387.67	1.35	-65.49
CC[NH+](CC)CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028688764	0	48	0.0	-64.06	365.20	4.01	-60.05
C[N@H+](CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300028688777	0	50	0.0	-67.18	393.44	5.10	-62.08
O=C(CN1CCC1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028688779	0	43	0.0	-65.42	343.60	3.44	-61.98
O=C(C[NH+]1CCC1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028688779	1	43	0.0	-65.42	343.60	3.44	-61.98
CC[NH+](CC)CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028688827	0	51	0.0	-67.21	391.55	4.86	-62.35
NC(=O)C1CC[NH+](CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028688849	0	53	0.0	-84.20	410.87	1.52	-82.68
C[NH+](C)CC1=CNC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028688896	0	50	0.0	-73.94	395.94	4.20	-69.74
CC(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC(O)CC1	REAL300028688917	0	53	0.0	-68.57	397.86	1.46	-67.11
O=C(NCC12CC(C1)CN2C(=O)C1CC2COCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300028688923	0	51	0.0	-69.19	389.39	3.07	-66.12
O=C(NCC12CC(C1)CN2C(=O)C1CC2COCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300028688923	1	51	0.0	-68.47	389.27	3.11	-65.36
CC(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300028688941	0	46	0.0	-64.81	362.98	3.84	-60.97
CCC(CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300028688952	0	54	0.0	-78.19	408.44	5.56	-72.63
NC1=CC=C(C=CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C=[NH+]1	REAL300028688959	0	46	0.0	-75.18	380.99	3.07	-72.11
C[NH+](C)C(CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300028688996	0	55	0.0	-75.49	424.94	6.71	-68.78
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028689027	0	49	0.0	-64.65	363.21	3.91	-60.74
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028689027	1	49	0.0	-63.98	375.88	4.39	-59.59
CC1CN2CC[N@@H+]1CC2C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028689041	0	52	0.0	-78.94	384.14	1.50	-77.44
CC1CN2CC[N@H+]1CC2C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028689041	1	52	0.0	-79.75	381.12	1.60	-78.15
C[NH+](C)CC(O)CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028689069	0	49	0.0	-71.85	385.69	1.93	-69.92
C[NH+]1C2CCC1CC(C(=O)N1CC3CC1(CNC(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300028689072	0	53	0.0	-71.61	366.41	4.67	-66.94
C=CCC(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028689121	0	49	0.0	-62.24	375.18	4.38	-57.86
O=C(NCC12CC(C1)CN2C(=O)C1CC2CCCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300028689133	0	53	0.0	-65.43	398.46	5.50	-59.93
O=C(NCC12CC(C1)CN2C(=O)C1CC2CCCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300028689133	1	53	0.0	-74.41	399.78	5.22	-69.19
C[NH+]1CCC(O)(CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028689151	0	53	0.0	-58.71	401.26	3.22	-55.49
COCC[N@@H+]1CCCC1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028689166	0	56	0.0	-67.23	425.01	4.00	-63.23
COCC[N@H+]1CCCC1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028689166	1	56	0.0	-69.67	426.11	3.89	-65.78
C[NH+]1C2CCC1CC(CC(=O)N1CC3CC1(CNC(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300028689175	0	56	0.0	-73.08	399.28	5.40	-67.68
C[NH+](C)CCN1N=CC=C1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028689217	0	52	0.0	-62.84	413.49	4.03	-58.81
C[NH+]1CCC(C2(C(=O)NCC34CC(C3)CN4C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028689266	0	56	0.0	-66.38	415.32	6.41	-59.97
CC1=C2C=C(C(=O)NCC34CC(C3)CN4C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300028689278	1	47	0.0	-63.25	383.86	6.95	-56.30
C[NH+](C)CCSCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028689290	0	49	0.0	-70.05	400.45	4.51	-65.54
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CC2COCC[N@@H+]2C1	REAL300028689302	0	51	0.0	-57.09	388.05	3.17	-53.92
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CC2COCC[N@H+]2C1	REAL300028689302	1	51	0.0	-58.39	390.83	3.02	-55.37
C[N@@H+]1CCCC1C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028689468	0	49	0.0	-69.01	375.44	4.40	-64.61
C[N@H+]1CCCC1C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028689468	1	49	0.0	-69.35	375.39	4.35	-65.00
C[N@@H+]1CCOC(C(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028689492	1	50	0.0	-76.73	385.90	4.12	-72.61
C[N@H+]1CCOC(C(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028689492	1	50	0.0	-61.37	385.93	4.11	-57.26
CC(C)[N@@H+]1CCCC1C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028689635	0	55	0.0	-63.10	414.56	5.93	-57.17
CC(C)[N@H+]1CCCC1C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028689635	1	55	0.0	-62.24	413.95	5.75	-56.49
CC1=[NH+]C=CN1CC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028689657	1	47	0.0	-63.33	385.09	5.44	-57.89
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+]2CCC1CC2	REAL300028689675	0	53	0.0	-76.35	396.25	5.44	-70.91
C[C@@H]1[C@H](C(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028689701	0	52	0.0	-72.77	391.62	4.62	-68.15
C[C@@H]1[C@H](C(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028689701	1	52	0.0	-65.42	397.31	5.06	-60.36
CC[C@@H]1[C@@H](C(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028689703	0	55	0.0	-67.28	413.25	5.54	-61.74
CC[C@@H]1[C@@H](C(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028689703	1	55	0.0	-66.50	417.86	5.90	-60.60
CC1CCC(C)[NH+]1CC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028689750	0	55	0.0	-64.34	412.82	5.85	-58.49
O=C(CCC[NH+]1CCCC1)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028689752	0	55	0.0	-68.68	424.84	6.15	-62.53
O=C(CC[NH+]1CCCCC1)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028689754	0	55	0.0	-68.50	419.67	6.25	-62.25
CC[N@@H+]1CCCCC1C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028689757	0	55	0.0	-60.73	415.39	6.04	-54.69
CC[N@H+]1CCCCC1C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028689757	1	55	0.0	-60.20	414.52	5.90	-54.30
C[NH+](C)C1(C(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300028689766	0	52	0.0	-62.55	389.27	5.45	-57.10
CC(C)[C@@H](C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028689772	0	54	0.0	-62.37	403.88	5.88	-56.49
C[N@H+](CC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300028689790	0	52	0.0	-65.44	401.10	5.62	-59.82
C[N@@H+](CC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300028689790	1	52	0.0	-66.13	401.89	5.82	-60.31
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028689840	1	51	0.0	-66.55	401.63	5.41	-61.14
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028689840	1	51	0.0	-65.14	408.12	6.04	-59.10
C[N@@H+]1CCCC1CCC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028689845	0	55	0.0	-68.25	423.08	6.32	-61.93
C[N@H+]1CCCC1CCC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028689845	1	55	0.0	-67.75	417.09	5.82	-61.93
C[NH+]1CCC(C(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028689861	0	52	0.0	-73.17	400.22	5.49	-67.68
C[N@@H+]1CCCCC1C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028689884	0	52	0.0	-63.73	387.47	5.00	-58.73
C[N@H+]1CCCCC1C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028689884	1	52	0.0	-66.84	397.87	5.38	-61.46
CC1=C[NH+]=CN1CC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028689942	1	47	0.0	-65.19	383.72	5.94	-59.25
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[NH+]1CCC2	REAL300028689958	0	53	0.0	-68.40	399.60	5.63	-62.77
C[N@@H+]1CCC(CC(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028689963	0	52	0.0	-71.18	402.62	5.42	-65.76
C[N@H+]1CCC(CC(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028689963	1	52	0.0	-69.20	401.32	5.24	-63.96
CCC(C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028689969	0	51	0.0	-65.01	384.88	4.64	-60.37
C[NH+](C)CCCCC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690010	0	54	0.0	-70.78	420.38	5.77	-65.01
CC(C)C(C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028690020	0	54	0.0	-62.01	398.93	5.12	-56.89
CCC[N@H+](C)CCC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690021	0	54	0.0	-69.88	417.26	5.78	-64.10
CCC[N@@H+](C)CCC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690021	1	54	0.0	-69.68	417.26	5.79	-63.89
CCC[N@H+](C)CC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690024	0	51	0.0	-67.62	394.88	5.24	-62.38
CCC[N@@H+](C)CC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690024	1	51	0.0	-67.08	394.23	5.05	-62.03
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@H+](C1)CCC2	REAL300028690033	0	53	0.0	-67.52	396.97	4.85	-62.67
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@@H+](C1)CCC2	REAL300028690033	1	53	0.0	-69.75	397.18	5.05	-64.70
C[N@@H+]1CCC[C@@H]1C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690054	0	49	0.0	-63.29	375.47	4.40	-58.89
C[N@H+]1CCC[C@@H]1C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690054	1	49	0.0	-63.75	380.74	4.89	-58.86
CC[NH+](CC)CC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690081	0	51	0.0	-65.57	386.41	4.89	-60.68
CC1CC[NH+](CC(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028690134	0	55	0.0	-67.80	418.25	6.32	-61.48
C[NH+](C)CC1(C(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028690152	0	52	0.0	-76.29	397.88	5.27	-71.02
C[NH+]1CCC(C(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028690198	0	52	0.0	-73.17	400.22	5.49	-67.68
CC(C)[C@H](C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028690213	0	54	0.0	-62.82	404.30	5.83	-56.99
CC[N@H+](C)CCC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690269	0	51	0.0	-69.20	395.76	5.04	-64.16
CC[N@@H+](C)CCC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690269	1	51	0.0	-69.10	395.76	5.05	-64.05
CC1CCC[N@@H+]1CC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690291	0	52	0.0	-63.99	400.37	5.45	-58.54
CC1CCC[N@H+]1CC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690291	1	52	0.0	-64.06	394.28	5.20	-58.86
CC1CC[N@H+](CC(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028690292	0	52	0.0	-66.29	401.07	5.40	-60.89
CC1CC[N@@H+](CC(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028690292	1	52	0.0	-66.83	401.50	5.59	-61.24
CC1(C)CC[N@H+](CC(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028690293	0	55	0.0	-66.60	420.43	5.86	-60.74
CC1(C)CC[N@@H+](CC(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028690293	1	55	0.0	-66.69	420.61	6.08	-60.61
CC[C@@H](C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028690300	0	51	0.0	-65.67	385.41	4.71	-60.96
C[NH+](C)CC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690370	0	45	0.0	-67.68	355.02	3.64	-64.04
O=C(C[NH+]1CCCCCC1)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690373	0	55	0.0	-67.25	405.96	5.68	-61.57
CN1C=C[N+](CC(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300028690375	0	47	0.0	-66.64	386.87	7.34	-59.30
C[N@@H+]1CCCC(C(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028690378	0	52	0.0	-64.31	393.96	5.67	-58.64
C[N@H+]1CCCC(C(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028690378	1	52	0.0	-67.64	399.59	5.27	-62.37
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@@H+]1C1CC1	REAL300028690383	0	53	0.0	-62.51	408.23	5.83	-56.68
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@H+]1C1CC1	REAL300028690383	1	53	0.0	-62.69	408.05	6.23	-56.46
CC(C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300028690393	1	49	0.0	-65.68	383.42	4.89	-60.79
C[NH+](C)CC(C)(C)C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690401	0	54	0.0	-68.57	403.10	5.50	-63.07
C[N@H+](CC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028690412	0	49	0.0	-64.55	384.28	5.04	-59.51
C[N@@H+](CC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028690412	1	49	0.0	-65.57	385.07	5.24	-60.33
C[NH+]1CC(CC(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028690426	0	49	0.0	-67.28	386.46	4.45	-62.83
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690436	0	55	0.0	-63.13	400.33	4.95	-58.18
CC(C)(C)[N@H+]1CCC1C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690436	1	55	0.0	-64.32	416.87	5.37	-58.95
C[C@@H](C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028690445	0	48	0.0	-64.32	373.23	4.28	-60.04
[NH2+]=C1SC=CN1CC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690493	0	45	0.0	-61.93	382.72	4.00	-57.93
C[N@H+](CCO)CCC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690498	0	52	0.0	-68.34	406.11	1.82	-66.52
C[N@@H+](CCO)CCC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690498	1	52	0.0	-67.75	405.32	1.64	-66.11
C[C@@H](C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028690499	0	48	0.0	-64.32	373.23	4.28	-60.04
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690502	0	52	0.0	-67.13	387.67	5.09	-62.04
C[N@H+]1CCCC[C@@H]1C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690502	1	52	0.0	-61.03	396.74	5.20	-55.83
O=C(C[NH+]1CCC1)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690546	1	46	0.0	-67.60	365.31	4.12	-63.48
C[N@@H+]1CCC(=CC(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028690558	0	50	0.0	-72.26	393.48	5.38	-66.88
C[N@H+]1CCC(=CC(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028690558	1	50	0.0	-72.21	393.53	5.41	-66.80
C[NH+](C)CCOCC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690576	0	52	0.0	-69.50	410.82	4.71	-64.79
C=CCC(C)(C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028690587	0	55	0.0	-61.43	410.16	5.85	-55.58
CC1CN(CC(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028690618	0	49	0.0	-67.30	386.28	4.73	-62.57
CC1C[NH+](CC(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028690618	1	49	0.0	-67.30	386.28	4.73	-62.57
CN(CCO)CC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690634	0	49	0.0	-66.94	383.09	1.07	-65.87
C[N@H+](CCO)CC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690634	1	49	0.0	-68.01	383.08	1.05	-66.96
C[N@@H+](CCO)CC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690634	1	49	0.0	-68.01	383.08	1.05	-66.96
CC[N@@H+]1CCCC(C(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028690651	0	55	0.0	-67.44	417.90	6.09	-61.35
CC[N@H+]1CCCC(C(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028690651	1	55	0.0	-67.44	417.90	6.09	-61.35
CC(CC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300028690653	0	54	0.0	-74.31	412.50	5.80	-68.51
CC[N@H+](C)CC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690656	0	48	0.0	-67.26	373.37	4.50	-62.76
CC[N@H+](CC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028690679	0	52	0.0	-64.97	401.73	5.77	-59.20
CC[NH+](CC)CCC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690687	0	54	0.0	-68.75	408.86	5.45	-63.30
C[NH+](C)CC=CC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690715	0	49	0.0	-70.70	392.24	4.89	-65.81
COCCN(C)CC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690728	0	52	0.0	-68.18	405.33	3.45	-64.73
COCC[N@H+](C)CC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690728	1	52	0.0	-69.28	405.99	3.66	-65.62
COCC[N@@H+](C)CC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690728	1	52	0.0	-69.28	405.99	3.66	-65.62
C[NH+](C)C1(C(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300028690744	0	55	0.0	-64.60	406.75	5.77	-58.83
CC(CCC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028690746	0	54	0.0	-68.24	412.09	5.54	-62.70
CCN1CCC1C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690752	0	49	0.0	-66.10	386.66	4.61	-61.49
CC[N@@H+]1CCC1C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690752	1	49	0.0	-66.15	386.64	4.62	-61.53
CC[N@H+]1CCC1C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690752	1	49	0.0	-66.15	386.64	4.62	-61.53
C[NH+]1CCC(C)(C(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028690776	0	55	0.0	-72.21	412.89	5.89	-66.32
C=CCC(C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028690792	0	52	0.0	-66.02	398.68	5.38	-60.64
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690799	0	55	0.0	-62.72	420.82	5.85	-56.87
CCCC(C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028690816	0	54	0.0	-63.54	406.60	5.58	-57.96
C[NH+](C)C(C)(C)C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690819	0	51	0.0	-70.21	382.48	4.78	-65.43
C[N@@H+]1CCCCC1C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690839	0	52	0.0	-66.84	397.87	5.38	-61.46
C[N@H+]1CC=C(CC(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028690858	0	53	0.0	-68.29	414.15	5.96	-62.33
C[N@@H+]1CC=C(CC(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028690858	1	53	0.0	-66.49	414.14	5.96	-60.53
O=C(C=CC[NH+]1CCCC1)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690887	0	53	0.0	-71.80	417.97	6.25	-65.55
C[NH+](C)C1(C(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028690911	0	49	0.0	-65.52	381.53	4.25	-61.27
O=C(CC[NH+]1CCCC1)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690912	0	52	0.0	-68.76	403.99	5.55	-63.21
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+]2CCN1CC2	REAL300028690932	0	52	0.0	-67.08	391.24	2.14	-64.94
C[N@@H+]1CC2CC1(C(=O)NC1CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028690936	0	50	0.0	-69.61	385.65	4.87	-64.74
C[N@H+]1CC2CC1(C(=O)NC1CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028690936	1	50	0.0	-63.75	385.83	4.79	-58.96
O=C(C[N@@H+]1CC2CCC1C2)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690941	0	53	0.0	-63.66	399.25	5.48	-58.18
O=C(C[N@H+]1CC2CCC1C2)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690941	1	53	0.0	-65.60	402.13	5.92	-59.68
O=C(C[N@@H+]1CC2C=CC1C2)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690975	1	51	0.0	-65.02	394.26	5.64	-59.38
O=C(C[N@H+]1CC2C=CC1C2)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690975	1	51	0.0	-65.28	394.14	5.59	-59.69
CC(C[NH+](C)C)C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028691002	0	51	0.0	-69.60	394.07	5.10	-64.50
C[N@@H+]1CCCCC1CC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028691038	0	55	0.0	-58.61	407.39	5.88	-52.73
C[N@H+]1CCCCC1CC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028691038	1	55	0.0	-64.60	407.39	5.89	-58.71
CC(C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300028691047	1	52	0.0	-64.27	403.61	5.58	-58.69
CC1CC[N@@H+]1CC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028691049	1	49	0.0	-65.06	381.43	4.66	-60.40
CC1CC[N@H+]1CC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028691049	1	49	0.0	-65.19	386.35	4.73	-60.46
C[NH+](C)CC(O)CC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028691051	0	52	0.0	-72.46	407.63	2.67	-69.79
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028691103	0	52	0.0	-71.64	404.57	5.37	-66.27
CC(CC[NH+](C)C)C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028691107	0	54	0.0	-70.37	415.70	5.72	-64.65
C[NH+]1CCN(CC(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028691122	1	54	0.0	-70.42	414.68	3.34	-67.08
NC(=[NH2+])SCC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028691142	0	43	0.0	-68.81	362.94	0.58	-68.23
C[NH+](C)CCC1(C(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028691162	0	55	0.0	-62.25	431.14	6.30	-55.95
C[N@@H+]1CC=CCC1CC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028691163	0	53	0.0	-69.23	405.78	5.73	-63.50
C[N@H+]1CC=CCC1CC(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028691163	1	53	0.0	-58.43	401.19	5.63	-52.80
CCC1CN(CC(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028691241	0	52	0.0	-68.08	407.67	5.49	-62.59
CCC1C[NH+](CC(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028691241	1	52	0.0	-68.08	407.67	5.49	-62.59
C[N@@H+]1CCC[C@H]1C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028691246	0	49	0.0	-69.53	375.18	4.17	-65.36
CC1C(C(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028691263	0	52	0.0	-68.92	401.48	5.42	-63.50
CC1C(C(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028691263	1	52	0.0	-68.92	401.48	5.42	-63.50
C[N@@H+]1CCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2=CC=CC=C21	REAL300028691455	0	49	0.0	-66.83	377.23	4.43	-62.40
C[N@@H+]1CCC(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3=CC=CC=C32)C1	REAL300028691652	0	52	0.0	-71.56	404.18	5.55	-66.01
C[N@H+]1CCC(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3=CC=CC=C32)C1	REAL300028691652	1	52	0.0	-71.56	404.18	5.55	-66.01
C[NH+](C)CCCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2=CC=CC=C21	REAL300028691685	0	54	0.0	-71.72	423.86	6.08	-65.64
CCC[N@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2=CC=CC=C21	REAL300028691697	0	54	0.0	-72.83	420.07	5.92	-66.91
CCC[N@@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2=CC=CC=C21	REAL300028691697	1	54	0.0	-72.83	420.07	5.92	-66.91
CCC[N@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2=CC=CC=C21	REAL300028691699	0	51	0.0	-71.34	397.55	5.21	-66.13
O=C(NC1CC2=CC=CC=C2N(C(=O)C23CC[N@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300028691706	0	53	0.0	-70.77	392.04	4.69	-66.08
O=C(NC1CC2=CC=CC=C2N(C(=O)C23CC[N@@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300028691706	1	53	0.0	-70.77	392.04	4.69	-66.08
C[NH+](C)CC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3=CC=CC=C32)CC1	REAL300028691756	0	52	0.0	-63.61	405.63	5.31	-58.30
CC[N@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2=CC=CC=C21	REAL300028691770	0	51	0.0	-72.14	398.57	5.19	-66.95
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CC1CC[N@@H+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2=CC=CC=C21	REAL300028693212	1	49	0.0	-69.38	389.76	4.98	-64.40
CC1CC[N@H+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2=CC=CC=C21	REAL300028693212	1	49	0.0	-69.38	389.76	4.98	-64.40
C[NH+](C)CC=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2=CC=CC=C21	REAL300028693216	0	49	0.0	-73.10	394.82	5.19	-67.91
CC[NH+](CC)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2=CC=CC=C21	REAL300028693281	0	54	0.0	-71.62	412.18	5.62	-66.00
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2=CC=CC=C21)N1CCC1	REAL300028693319	0	49	0.0	-70.06	376.55	4.51	-65.55
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2=CC=CC=C21)[NH+]1CCC1	REAL300028693319	1	49	0.0	-70.06	376.55	4.51	-65.55
CN1CCCC[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2=CC=CC=C21	REAL300028693346	0	52	0.0	-70.12	390.58	5.08	-65.04
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2=CC=CC=C21	REAL300028693346	1	52	0.0	-67.50	397.80	5.43	-62.07
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2=CC=CC=C21	REAL300028693346	1	52	0.0	-67.50	397.80	5.43	-62.07
C[NH+](C)CC(O)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2=CC=CC=C21	REAL300028693360	0	52	0.0	-75.02	411.10	2.97	-72.05
C[N@@H+]1CCCC1C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028693590	0	46	0.0	-73.29	343.58	3.21	-70.08
CN1CCOC(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028693614	0	47	0.0	-73.32	361.03	3.27	-70.05
C[N@@H+]1CCOC(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028693614	1	47	0.0	-73.47	362.49	2.22	-71.25
C[N@H+]1CCOC(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028693614	1	47	0.0	-73.47	362.49	2.22	-71.25
CC(C)C1=NC=CN1CCC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028693804	0	53	0.0	-69.28	411.07	6.16	-63.12
CC(C)C1=[NH+]C=CN1CCC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028693804	1	53	0.0	-69.28	411.07	6.16	-63.12
CC(C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+]1CCCCCC1	REAL300028693811	0	55	0.0	-68.94	393.55	5.94	-63.00
CC(C)[N@@H+]1CCCCC1C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028693814	0	55	0.0	-66.06	395.17	5.47	-60.59
CC(C)[N@H+]1CCCCC1C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028693814	1	55	0.0	-66.06	395.17	5.47	-60.59
CC(C)[N@@H+]1CCCC1C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028693849	0	52	0.0	-73.91	376.94	5.33	-68.58
CC(C)[N@H+]1CCCC1C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028693849	1	52	0.0	-67.87	368.11	5.21	-62.66
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CC2CCCC[N@@H+]2C1	REAL300028693876	0	53	0.0	-62.55	400.88	4.69	-57.86
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CC2CCCC[N@H+]2C1	REAL300028693876	1	53	0.0	-66.65	391.07	5.50	-61.15
CC(C)C1=[NH+]C=CN1CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028693912	1	50	0.0	-66.60	391.29	5.74	-60.86
CC1=[NH+]C=CN1CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028693968	1	44	0.0	-68.20	355.09	4.63	-63.57
CC(C[NH+]1CCOCC1)C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028693970	0	53	0.0	-75.57	392.99	3.60	-71.97
O=C(CCC[NH+]1CCCCC1)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028693992	0	55	0.0	-66.58	418.48	5.24	-61.34
CC(C)(C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+]1CCCCC1	REAL300028694021	0	55	0.0	-62.64	402.31	4.96	-57.68
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1C[NH+]2CCC1CC2	REAL300028694040	0	50	0.0	-68.84	364.89	4.61	-64.23
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CCCC2CCC[N@@H+]21	REAL300028694103	0	53	0.0	-61.40	385.87	5.56	-55.84
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CCCC2CCC[N@H+]21	REAL300028694103	1	53	0.0	-66.84	380.02	5.20	-61.64
C[NH+](C)CCN1C=C(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C=N1	REAL300028694105	0	52	0.0	-83.01	408.58	4.52	-78.49
C[NH+](C)CCN1C=CC(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)=N1	REAL300028694121	0	52	0.0	-94.60	410.54	4.53	-90.07
C[C@@H]1[C@H](C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC[N@@H+]1C	REAL300028694128	0	49	0.0	-63.71	369.95	2.97	-60.74
C[C@@H]1[C@H](C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC[N@H+]1C	REAL300028694128	1	49	0.0	-61.63	374.25	3.79	-57.84
CCC1=[NH+]C=CN1C(C)CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028694131	1	53	0.0	-70.77	411.62	6.23	-64.54
CC[C@@H]1[C@@H](C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC[N@@H+]1C	REAL300028694134	0	52	0.0	-69.08	389.80	3.69	-65.39
CC[C@@H]1[C@@H](C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC[N@H+]1C	REAL300028694134	1	52	0.0	-77.77	386.94	5.02	-72.75
CC[N@@H+]1CCOC(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028694160	1	50	0.0	-67.30	370.21	3.58	-63.72
CC[N@H+]1CCOC(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028694160	1	50	0.0	-75.56	376.64	3.81	-71.75
CC[NH+](CC)CC(F)C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028694229	0	51	0.0	-70.48	390.39	3.61	-66.87
C[NH+](C)CC1=C(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)SC=C1	REAL300028694230	0	49	0.0	-58.48	390.93	5.65	-52.83
CC1CCC(C)[NH+]1CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028694346	0	52	0.0	-71.71	373.10	4.62	-67.09
O=C(CCC[NH+]1CCCC1)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028694353	0	52	0.0	-74.47	395.49	5.55	-68.92
C[NH+](C)CC1=CC=CC(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)=C1	REAL300028694354	0	52	0.0	-78.08	404.01	6.52	-71.56
C#CC[NH+]1CCC(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028694361	0	51	0.0	-70.73	402.21	4.81	-65.92
O=C(CC[NH+]1CCCCC1)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028694362	0	52	0.0	-74.30	389.21	5.42	-68.88
C[NH+](C)CC1=CC=CC=C1C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028694366	0	52	0.0	-57.43	396.44	6.74	-50.69
CC[N@@H+]1CCCCC1C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028694376	0	52	0.0	-66.76	384.96	5.23	-61.53
CC[N@H+]1CCCCC1C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028694376	1	52	0.0	-65.95	374.41	4.94	-61.01
CC(C)C(C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+]1CCCCC1	REAL300028694377	0	58	0.0	-66.53	414.42	7.09	-59.44
C[NH+](C)C(C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CC=CC=C1	REAL300028694380	1	52	0.0	-71.80	396.66	6.36	-65.44
CC(C)C[N@@H+]1CCC(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028694406	0	55	0.0	-63.20	416.97	4.93	-58.27
CC(C)C[N@H+]1CCC(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028694406	1	55	0.0	-65.23	417.60	4.97	-60.26
C[NH+](C)C1(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)CCC1	REAL300028694410	0	49	0.0	-58.91	366.65	3.62	-55.29
C[NH+](C)C(CN1C=CC=N1)C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028694412	1	52	0.0	-63.16	394.41	4.15	-59.01
CC(C)[N@@H+]1CCCC1CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028694418	0	55	0.0	-65.96	395.36	5.56	-60.40
CC(C)[N@H+]1CCCC1CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028694418	1	55	0.0	-72.86	404.27	5.58	-67.28
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CCC[N@@H+]1C1CCCC1	REAL300028694419	0	56	0.0	-61.62	409.61	5.33	-56.29
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CCC[N@H+]1C1CCCC1	REAL300028694419	1	56	0.0	-61.62	418.45	5.39	-56.23
CC(C)[C@@H](C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300028694446	0	51	0.0	-68.64	372.59	5.31	-63.33
C[N@H+](CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CCC1	REAL300028694512	0	49	0.0	-69.01	371.48	5.02	-63.99
C[N@@H+](CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CCC1	REAL300028694512	1	49	0.0	-60.88	379.08	3.97	-56.91
CC(C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+]1C(C)CCC1C	REAL300028694607	0	55	0.0	-68.08	393.46	5.31	-62.77
CN(CCC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CC=[NH+]C=C1	REAL300028694689	0	51	0.0	-71.97	400.40	4.69	-67.28
C#CC[N@H+]1CCC[C@H]1C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028694702	1	48	0.0	-64.00	370.78	4.65	-59.35
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028694702	1	48	0.0	-58.93	385.52	4.32	-54.61
C[N@@H+]1CCCC1CCC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028694712	0	52	0.0	-69.04	400.63	4.49	-64.55
C[N@H+]1CCCC1CCC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028694712	1	52	0.0	-66.82	395.30	4.03	-62.79
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C12CCC[NH+](CCC1)C2	REAL300028694726	0	53	0.0	-70.23	380.29	5.05	-65.18
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CCC2CCCC[N@@H+]21	REAL300028694734	0	53	0.0	-62.90	391.55	5.78	-57.12
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CCC2CCCC[N@H+]21	REAL300028694734	1	53	0.0	-62.77	391.90	5.82	-56.95
CC(C)(C[NH+]1CCOCC1)C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028694743	0	56	0.0	-72.30	402.97	3.96	-68.34
O=C(CCCC[NH+]1CCCC1)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028694763	0	55	0.0	-77.24	415.38	6.22	-71.02
C[N@H+](CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)CC1=CC=CC=C1	REAL300028694766	1	52	0.0	-76.93	401.90	6.63	-70.30
C[N@@H+](CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)CC1=CC=CC=C1	REAL300028694766	1	52	0.0	-76.88	402.35	6.61	-70.27
C[NH+]1CCC(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028694784	0	49	0.0	-81.02	365.81	4.55	-76.47
C[NH+](C)CC1=CC(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)=NO1	REAL300028694851	1	48	0.0	-76.90	391.98	3.08	-73.82
CC1=C(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C=CC2=C[NH+]=CN21	REAL300028694853	0	47	0.0	-71.77	375.32	6.43	-65.34
C[N@@H+]1CCCCC1C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028694902	0	49	0.0	-67.41	356.12	4.29	-63.12
C[N@H+]1CCCCC1C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028694902	1	49	0.0	-70.34	364.00	4.52	-65.82
CC(C)C[N@@H+]1CCCC1C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028694936	0	55	0.0	-59.32	418.15	5.19	-54.13
CC(C)C[N@H+]1CCCC1C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028694936	1	55	0.0	-63.21	389.38	6.14	-57.07
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CN2C=[NH+]C=C2C=C1	REAL300028695102	0	44	0.0	-76.40	355.56	6.52	-69.88
CC1=[NH+]C=CN1CCCC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028695117	1	50	0.0	-72.46	396.63	5.93	-66.53
O=C(CCCC[NH+]1CCOCC1)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028695121	1	56	0.0	-79.16	423.92	4.61	-74.55
C[NH+](C)CC1=CC=C(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C=C1	REAL300028695127	0	52	0.0	-90.36	403.86	6.51	-83.85
O=C(CC[NH+]1CCOCC1)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028695128	1	50	0.0	-77.01	380.93	3.02	-73.99
C[NH+](C)C(C)(C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CC=CC=C1	REAL300028695148	0	55	0.0	-87.71	398.33	6.48	-81.23
CCC[NH+](CCC)CCCC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028695156	0	60	0.0	-74.42	443.19	6.93	-67.49
CC[N@H+](C)C(C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CC=CC=C1	REAL300028695157	0	55	0.0	-70.63	414.84	7.02	-63.61
CC[N@@H+](C)C(C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CC=CC=C1	REAL300028695157	1	55	0.0	-65.70	417.70	7.12	-58.58
CC1=C[NH+]=CN1CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028695180	1	44	0.0	-68.46	355.42	5.36	-63.10
O=C(CN1C=[NH+]C2=C1CCCC2)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028695193	1	51	0.0	-60.04	404.54	6.07	-53.97
C[NH+](C)CC1(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)CCCCC1	REAL300028695241	0	58	0.0	-77.47	417.51	5.63	-71.84
C[NH+](C)CCC1=CC=CC=C1C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028695242	0	55	0.0	-51.90	417.03	7.28	-44.62
C[N@H+](CCC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CCCCC1	REAL300028695248	0	58	0.0	-76.45	424.07	6.61	-69.84
C[N@@H+](CCC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CCCCC1	REAL300028695248	1	58	0.0	-76.59	423.67	6.63	-69.96
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C12CCC[NH+]1CCC2	REAL300028695253	0	50	0.0	-63.32	363.34	4.67	-58.65
C[NH+](C)C1CCCC(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028695293	0	55	0.0	-64.30	397.88	5.70	-58.60
C[N@@H+]1CCC(CC(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028695300	0	49	0.0	-76.30	371.98	4.57	-71.73
C[N@H+]1CCC(CC(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028695300	1	49	0.0	-69.80	379.59	3.61	-66.19
CN(C)C1=CC=[NH+]C=C1C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028695314	0	48	0.0	-87.85	376.00	3.86	-83.99
CCC(C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300028695320	0	48	0.0	-62.04	362.02	3.06	-58.98
C[NH+](C)C1(CC(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)CCCC1	REAL300028695344	0	55	0.0	-80.97	389.68	5.44	-75.53
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CC2=C[NH+]=CN2C=C1	REAL300028695416	1	44	0.0	-84.51	356.29	6.53	-77.98
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300028695461	1	47	0.0	-90.77	384.07	4.42	-86.35
C[NH+](C)CCCCC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028695496	0	51	0.0	-78.22	391.02	5.15	-73.07
CC(C)C(C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300028695518	0	51	0.0	-66.62	381.73	4.21	-62.41
CCC[N@H+](C)CCC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028695520	0	51	0.0	-75.95	387.25	4.96	-70.99
CCC[N@@H+](C)CCC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028695520	1	51	0.0	-75.90	387.25	4.97	-70.93
CCC[N@H+](C)CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028695527	0	48	0.0	-71.73	364.90	4.43	-67.30
CCC[N@@H+](C)CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028695527	1	48	0.0	-72.01	364.48	4.46	-67.55
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C12CC[N@H+](C1)CCC2	REAL300028695558	0	50	0.0	-77.15	364.12	4.09	-73.06
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C12CC[N@@H+](C1)CCC2	REAL300028695558	1	50	0.0	-70.60	365.20	4.02	-66.58
C[N@@H+]1CCC[C@@H]1C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028695627	0	46	0.0	-66.15	352.57	2.59	-63.56
C[N@H+]1CCC[C@@H]1C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028695627	1	46	0.0	-60.12	359.25	3.04	-57.08
CC1CC2CCC(C(=O)NC3C4CCCN(C(=O)C5=CC(=O)[N-]O5)C43)C[N@@H+]2C1	REAL300028695655	0	56	0.0	-63.92	421.45	5.29	-58.63
CC1CC2CCC(C(=O)NC3C4CCCN(C(=O)C5=CC(=O)[N-]O5)C43)C[N@H+]2C1	REAL300028695655	1	56	0.0	-71.16	413.87	6.30	-64.86
CCCCCC[N@H+](C)CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028695712	0	57	0.0	-73.00	429.37	6.77	-66.23
CCCCCC[N@@H+](C)CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028695712	1	57	0.0	-73.21	428.98	6.79	-66.42
CC[NH+](CC)C(C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C(C)C	REAL300028695723	0	57	0.0	-55.83	413.54	5.17	-50.66
CC[NH+](CC)CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028695734	0	48	0.0	-70.25	361.02	4.35	-65.90
CCC[N@@H+]1CCCC(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028695768	0	55	0.0	-73.82	405.92	5.90	-67.92
CCC[N@H+]1CCCC(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028695768	1	55	0.0	-68.72	407.37	5.83	-62.89
CC(C)[N@@H+]1CCOC(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028695792	1	53	0.0	-52.20	391.42	4.02	-48.18
CC(C)[N@H+]1CCOC(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028695792	1	53	0.0	-78.79	390.50	4.47	-74.32
CC1CC[NH+](CC(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028695834	0	52	0.0	-73.49	388.13	5.47	-68.02
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300028695866	1	47	0.0	-81.71	385.16	4.45	-77.26
C[NH+]1CCC(OCC(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028695876	0	53	0.0	-84.51	405.61	5.12	-79.39
C[NH+](C)CC1(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028695895	0	49	0.0	-63.30	374.91	4.60	-58.70
CC1=[NH+]C=C2CCC(C(=O)NC3C4CCCN(C(=O)C5=CC(=O)[N-]O5)C43)CN21	REAL300028695896	1	51	0.0	-69.44	393.24	5.76	-63.68
CC(C)[NH+]1CCC(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028696003	0	55	0.0	-79.84	400.91	5.64	-74.20
C[NH+]1CCC(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028696034	0	49	0.0	-81.02	365.81	4.55	-76.47
CC(C)[C@H](C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300028696057	0	51	0.0	-67.94	371.06	4.55	-63.39
CCC(C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+](CC)CC	REAL300028696096	0	54	0.0	-59.03	398.47	4.31	-54.72
CC[N@H+](C)CCC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028696195	0	48	0.0	-75.25	365.76	4.23	-71.02
CC[N@@H+](C)CCC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028696195	1	48	0.0	-75.09	365.76	4.23	-70.86
CC1CCC[N@@H+]1CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028696277	0	49	0.0	-69.06	370.27	4.74	-64.32
CC1CCC[N@H+]1CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028696277	1	49	0.0	-68.45	364.24	4.41	-64.04
CC1CC[N@H+](CC(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028696280	0	49	0.0	-67.99	369.71	4.55	-63.44
CC1CC[N@@H+](CC(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028696280	1	49	0.0	-62.49	378.13	3.73	-58.76
CC(C)(C)[N@@H+]1CCC(F)(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028696281	0	55	0.0	-66.95	407.09	5.28	-61.67
CC(C)(C)[N@H+]1CCC(F)(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028696281	1	55	0.0	-62.07	406.20	5.18	-56.89
CC1=[NH+]C=C2CC(C(=O)NC3C4CCCN(C(=O)C5=CC(=O)[N-]O5)C43)CCN21	REAL300028696283	1	51	0.0	-76.53	394.12	5.75	-70.78
C[NH+](C)CCC1=CC=C(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C=C1	REAL300028696285	0	55	0.0	-91.69	426.30	7.36	-84.33
CC1(C)CC[N@H+](CC(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028696287	0	52	0.0	-62.15	398.04	4.22	-57.93
CC1(C)CC[N@@H+](CC(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028696287	1	52	0.0	-71.42	390.02	5.23	-66.19
C[N@H+](CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)CC(C)(C)C	REAL300028696288	0	54	0.0	-72.09	393.83	5.46	-66.63
C[N@@H+](CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)CC(C)(C)C	REAL300028696288	1	54	0.0	-72.55	395.30	5.58	-66.97
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028696289	0	55	0.0	-74.51	424.39	7.48	-67.03
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028696289	1	55	0.0	-74.19	424.80	7.46	-66.73
CC[C@@H](C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300028696301	0	48	0.0	-66.79	354.48	4.08	-62.71
CC(COCC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+]1CCCC1	REAL300028696309	0	56	0.0	-73.16	424.24	5.79	-67.37
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CC[NH+](CC2CC2)CC1	REAL300028696411	0	56	0.0	-81.04	415.00	6.75	-74.29
C[NH+]1CCC(O)(CC(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028696568	0	53	0.0	-77.11	395.99	3.34	-73.77
COCC[N@@H+]1CCCC1CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028696575	0	56	0.0	-58.42	423.43	3.90	-54.52
COCC[N@H+]1CCCC1CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028696575	1	56	0.0	-72.86	423.36	4.46	-68.40
C[NH+](C)CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028696583	0	42	0.0	-71.99	325.66	3.02	-68.97
O=C(C[NH+]1CCC(CO)CC1)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028696588	1	53	0.0	-73.64	398.97	2.17	-71.47
O=C(C[NH+]1CCCCCC1)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028696592	0	52	0.0	-72.01	376.73	5.07	-66.94
CN1C=C[N+](CC(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)=C1	REAL300028696597	0	44	0.0	-69.83	356.89	6.54	-63.29
C[N@@H+]1CCCC(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028696608	0	49	0.0	-60.97	371.61	3.82	-57.15
C[N@H+]1CCCC(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028696608	1	49	0.0	-70.00	368.19	4.42	-65.58
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CCC[N@@H+]1C1CC1	REAL300028696614	0	50	0.0	-57.63	385.48	4.00	-53.63
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CCC[N@H+]1C1CC1	REAL300028696614	1	50	0.0	-63.05	374.46	5.17	-57.88
CC(C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+]1CCC1	REAL300028696654	1	46	0.0	-69.20	352.11	4.09	-65.11
CCC(CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C[NH+](C)C	REAL300028696664	0	54	0.0	-78.29	396.94	5.49	-72.80
C[NH+](C)CC(C)(C)C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028696673	0	51	0.0	-74.79	366.25	4.43	-70.36
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C12CC(C1)C[N@@H+]2C1CC1	REAL300028696697	0	51	0.0	-77.59	374.45	5.32	-72.27
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C12CC(C1)C[N@H+]2C1CC1	REAL300028696697	1	51	0.0	-79.79	382.41	6.45	-73.34
O=C(C[NH+]1CCC(O)CC1)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028696721	1	50	0.0	-78.31	378.47	1.55	-76.76
C[N@H+](CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CC1	REAL300028696723	0	46	0.0	-68.59	354.92	4.43	-64.16
C[N@@H+](CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CC1	REAL300028696723	1	46	0.0	-68.95	355.06	4.43	-64.52
CC(C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)N1CC[NH+](C)CC1	REAL300028696724	1	54	0.0	-69.37	392.14	2.75	-66.62
C[NH+]1CC(CC(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028696754	0	46	0.0	-68.29	364.42	2.82	-65.47
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CC[N@@H+]1C1CCCC1	REAL300028696758	0	53	0.0	-72.80	391.86	5.22	-67.58
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CC[N@H+]1C1CCCC1	REAL300028696758	1	53	0.0	-71.93	392.49	5.62	-66.31
CC(C)(C)[N@@H+]1CCC1C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028696767	0	52	0.0	-71.48	387.19	4.78	-66.70
CC(C)(C)[N@H+]1CCC1C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028696767	1	52	0.0	-65.16	385.08	4.57	-60.59
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300028696778	0	52	0.0	-74.38	403.76	3.68	-70.70
C[C@@H](C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300028696781	0	45	0.0	-69.85	342.25	3.42	-66.43
CCC1CCC[N@H+](CC(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028696835	0	55	0.0	-62.95	413.93	5.10	-57.85
CCC1CCC[N@@H+](CC(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028696835	1	55	0.0	-62.20	414.25	5.12	-57.08
C[NH+](C)CC1=CC=C(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)N1	REAL300028696844	0	50	0.0	-93.50	392.16	4.24	-89.26
C[NH+]1C2CCC1CC(CC(=O)NC1C3CCCN(C(=O)C4=CC(=O)[N-]O4)C31)C2	REAL300028696859	0	56	0.0	-74.70	389.15	5.38	-69.32
C[NH+](C)C(CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CC=CC=C1	REAL300028696866	0	55	0.0	-87.29	415.84	7.04	-80.25
[NH2+]=C1SC=CN1CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028696908	0	42	0.0	-68.09	352.73	3.20	-64.89
C[N@H+](CCO)CCC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028696922	0	49	0.0	-75.29	376.11	1.01	-74.28
C[N@@H+](CCO)CCC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028696922	1	49	0.0	-73.59	375.96	1.01	-72.58
C[C@@H](C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300028696923	0	45	0.0	-69.85	342.25	3.42	-66.43
C[N@@H+]1CCCC[C@@H]1C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028696928	0	49	0.0	-67.00	356.11	4.27	-62.73
C[N@H+]1CCCC[C@@H]1C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028696928	1	49	0.0	-66.07	367.11	4.66	-61.41
CC1CN2CC[N@@H+]1CC2C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028696938	0	52	0.0	-85.91	378.36	2.03	-83.88
CC1CN2CC[N@H+]1CC2C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028696938	1	52	0.0	-66.80	376.78	1.85	-64.95
COC1C[N@@H+]2CCCC2(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028696991	0	54	0.0	-64.84	399.74	3.62	-61.22
COC1C[N@H+]2CCCC2(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028696991	1	54	0.0	-71.38	397.37	3.76	-67.62
O=C(CC1=CC2=C[NH+]=CN2C=C1)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697007	0	47	0.0	-70.34	380.07	7.20	-63.14
C[N@H+](CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CCSC1	REAL300028697041	0	50	0.0	-77.83	385.15	5.26	-72.57
C[N@@H+](CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CCSC1	REAL300028697041	1	50	0.0	-74.16	384.93	5.27	-68.89
O=C(C[NH+]1CCC1)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697042	1	43	0.0	-73.02	334.62	3.44	-69.58
C[NH+](C)CC1=CC(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)=CC=N1	REAL300028697081	1	51	0.0	-74.24	399.99	4.66	-69.58
C[N@@H+]1CCC(=CC(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028697083	0	47	0.0	-72.62	361.52	4.37	-68.25
C[N@H+]1CCC(=CC(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028697083	1	47	0.0	-77.91	364.47	4.56	-73.35
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1C[NH+](C2CCCCC2)C1	REAL300028697111	0	56	0.0	-75.19	417.07	6.37	-68.82
C[NH+](C)CCOCC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697130	0	49	0.0	-73.92	381.53	4.08	-69.84
CCCCC[N@H+](C)CCC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697137	0	57	0.0	-76.75	430.25	6.52	-70.23
CCCCC[N@@H+](C)CCC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697137	1	57	0.0	-76.65	430.25	6.53	-70.12
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)O1	REAL300028697147	0	53	0.0	-75.06	400.91	4.86	-70.20
C=CCC(C)(C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300028697159	0	52	0.0	-63.33	376.15	4.87	-58.46
C[S+](C)CCC(O)C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697164	0	48	0.0	-60.41	397.80	1.64	-58.77
C[N@@H+]1CC(O)CC1(C)C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697202	0	50	0.0	-58.09	380.20	0.40	-57.69
CN1CC[N@H+](C)CC(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028697217	0	54	0.0	-69.75	395.57	3.17	-66.58
CN1CC[N@@H+](C)CC(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028697217	1	54	0.0	-69.75	395.57	3.17	-66.58
CC(C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)[N@@H+]1CCCC(O)C1	REAL300028697218	0	53	0.0	-72.15	394.23	2.15	-70.00
O=C(CN1CCC(CO)CC1)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697234	0	53	0.0	-73.64	398.97	2.17	-71.47
O=C(C[NH+]1CCC(CO)CC1)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697234	1	53	0.0	-73.64	398.97	2.17	-71.47
C[N@@H+]1CCCC(O)(CC(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028697245	0	53	0.0	-63.71	394.60	3.23	-60.48
C[N@H+]1CCCC(O)(CC(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028697245	1	53	0.0	-63.71	394.60	3.23	-60.48
CC1CN(CC(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028697249	0	46	0.0	-73.10	355.37	4.22	-68.88
CC1C[NH+](CC(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028697249	1	46	0.0	-73.10	355.37	4.22	-68.88
CN(CCO)CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697280	0	46	0.0	-73.95	353.34	0.48	-73.47
C[N@H+](CCO)CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697280	1	46	0.0	-73.61	353.58	0.42	-73.19
C[N@@H+](CCO)CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697280	1	46	0.0	-73.61	353.58	0.42	-73.19
C[NH+]1C2CCC1CC(=CC(=O)NC1C3CCCN(C(=O)C4=CC(=O)[N-]O4)C31)C2	REAL300028697306	0	54	0.0	-68.01	406.53	4.96	-63.05
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1C[N@@H+]2CCN1CCC2	REAL300028697311	0	52	0.0	-63.26	380.12	1.79	-61.47
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1C[N@H+]2CCN1CCC2	REAL300028697311	1	52	0.0	-63.26	380.12	1.79	-61.47
CC[N@@H+]1CCCC(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028697320	0	52	0.0	-63.13	394.90	4.25	-58.88
CC[N@H+]1CCCC(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028697320	1	52	0.0	-63.13	394.90	4.25	-58.88
CC(CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C[NH+](C)C	REAL300028697322	0	51	0.0	-77.07	382.33	4.99	-72.08
CC[N@H+](C)CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697339	0	45	0.0	-71.63	343.39	3.70	-67.93
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C12CCC[N@@H+]1CCCC2	REAL300028697370	0	53	0.0	-64.13	379.15	5.36	-58.77
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C12CCC[N@H+]1CCCC2	REAL300028697370	1	53	0.0	-64.13	379.15	5.36	-58.77
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C12CCC[N@@H+]1CC=CC2	REAL300028697380	0	51	0.0	-62.02	372.00	5.23	-56.79
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C12CCC[N@H+]1CC=CC2	REAL300028697380	1	51	0.0	-62.02	372.00	5.23	-56.79
CC[N@H+](CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CC1	REAL300028697409	0	49	0.0	-68.15	370.37	4.74	-63.41
CC[NH+](CC)CCC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697434	0	51	0.0	-74.21	383.41	4.92	-69.29
O=C(CCCC[NH+]1CCCCC1)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697474	0	58	0.0	-76.39	432.21	7.01	-69.38
CC1(O)CC[N@H+](CC(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028697509	0	50	0.0	-61.24	389.66	0.41	-60.83
C[NH+](C)CC=CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697522	0	46	0.0	-78.44	361.62	4.24	-74.20
CC(OCC[NH+](C)C)C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697552	0	52	0.0	-74.71	400.52	4.81	-69.90
C[NH+](C)CCOCCC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697564	0	52	0.0	-75.60	402.48	3.81	-71.79
COCCN(C)CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697565	0	49	0.0	-73.57	375.83	2.83	-70.74
COCC[N@H+](C)CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697565	1	49	0.0	-74.47	375.59	2.88	-71.59
COCC[N@@H+](C)CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697565	1	49	0.0	-74.47	375.59	2.88	-71.59
COCCCC[N@H+](C)CCC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697598	0	58	0.0	-79.88	442.43	4.82	-75.06
COCCCC[N@@H+](C)CCC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697598	1	58	0.0	-79.88	442.43	4.82	-75.06
C[NH+](C)C1(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)CCCC1	REAL300028697624	0	52	0.0	-59.10	385.06	4.09	-55.01
CC(CCC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300028697627	0	51	0.0	-73.18	381.81	4.71	-68.47
CCN1CCC1C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697638	0	46	0.0	-72.82	357.36	3.97	-68.85
CC[N@@H+]1CCC1C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697638	1	46	0.0	-67.44	345.19	3.33	-64.11
CC[N@H+]1CCC1C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697638	1	46	0.0	-67.44	345.19	3.33	-64.11
CC(C)[N@@H+]1CCCC(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028697653	0	55	0.0	-62.64	391.89	5.69	-56.95
CC(C)[N@H+]1CCCC(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028697653	1	55	0.0	-62.64	391.89	5.69	-56.95
CC(C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)[N@H+](C)CC1=CC=CC=C1	REAL300028697660	0	55	0.0	-75.58	418.21	6.91	-68.67
O=C(C[N@H+]1CCCC1CO)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697669	0	50	0.0	-69.53	370.86	1.53	-68.00
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CC2CCCC[N@@H+]2C1	REAL300028697699	0	53	0.0	-66.65	391.07	5.50	-61.15
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CC2CCCC[N@H+]2C1	REAL300028697699	1	53	0.0	-66.65	391.07	5.50	-61.15
C[NH+]1CCC(C)(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028697709	0	52	0.0	-67.26	375.68	4.78	-62.48
CC(C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)N1CCC(O)CC1	REAL300028697737	0	53	0.0	-73.12	396.09	1.93	-71.19
CC(C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+]1CCC(O)CC1	REAL300028697737	1	53	0.0	-73.12	396.09	1.93	-71.19
C=CCC(C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300028697755	0	49	0.0	-64.19	376.22	3.54	-60.65
C[N@@H+]1CC(C)(C)CC1C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697775	0	52	0.0	-73.83	388.68	5.05	-68.78
C[NH+](C)CCCCCC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697780	0	54	0.0	-77.74	412.52	5.93	-71.81
CC1C[N@@H+]2CCN1C(C(=O)NC1C3CCCN(C(=O)C4=CC(=O)[N-]O4)C31)C2	REAL300028697832	0	52	0.0	-64.77	376.75	1.50	-63.27
CCCC(C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300028697833	0	51	0.0	-65.16	384.32	3.79	-61.37
C[NH+](C)C(C)(C)C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697838	0	48	0.0	-82.16	349.68	4.03	-78.13
CC[NH+](CC)CCSCC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697881	0	55	0.0	-80.06	428.05	6.29	-73.77
C[N@@H+]1CCCCC1C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697893	0	49	0.0	-67.41	356.12	4.29	-63.12
C[N@H+]1CCCCC1C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697893	1	49	0.0	-70.34	364.00	4.52	-65.82
C[N@H+]1CC=C(CC(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028697949	0	50	0.0	-69.69	384.79	5.34	-64.35
C[N@@H+]1CC=C(CC(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028697949	1	50	0.0	-66.21	384.83	5.33	-60.88
O=C(CC1([NH+]2CCCC2)CC1)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697961	0	53	0.0	-71.41	389.28	5.72	-65.69
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028698020	0	58	0.0	-69.81	423.29	5.12	-64.69
C[N@H+]1CCCC(C(C)(C)C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028698020	1	58	0.0	-69.81	423.29	5.12	-64.69
CN(C)CC1=CC=C(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)O1	REAL300028698025	0	49	0.0	-87.62	388.77	4.77	-82.85
C[NH+](C)CC1=CC=C(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)O1	REAL300028698025	1	49	0.0	-87.62	388.77	4.77	-82.85
O=C(C=CC[NH+]1CCCC1)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028698049	0	50	0.0	-77.73	387.97	5.44	-72.29
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CC[NH+](C2CC2)CC1	REAL300028698078	0	53	0.0	-78.37	395.51	5.94	-72.43
O=C(CC[NH+]1CCCC1)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028698107	0	49	0.0	-74.23	373.99	4.75	-69.48
C[N@@H+]1CC2CC1(C(=O)NC1C3CCCN(C(=O)C4=CC(=O)[N-]O4)C31)C2	REAL300028698173	0	47	0.0	-68.91	349.03	3.64	-65.27
O=C(C[N@@H+]1CC2CCC1C2)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028698189	0	50	0.0	-59.47	377.11	3.96	-55.51
CC(C)[NH+]1CCC(CC(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028698203	0	58	0.0	-72.33	419.52	6.35	-65.98
O=C(C=C1C[NH+]2CCC1CC2)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028698255	0	51	0.0	-64.66	381.39	5.43	-59.23
O=C(CN1CC2C=CC1C2)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028698269	0	48	0.0	-66.64	363.24	4.80	-61.84
O=C(C[N@@H+]1CC2C=CC1C2)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028698269	1	48	0.0	-66.36	362.69	4.77	-61.59
O=C(C[N@H+]1CC2C=CC1C2)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028698269	1	48	0.0	-66.36	362.69	4.77	-61.59
C[NH+](C)CC(C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CC=CC=C1	REAL300028698310	0	55	0.0	-66.04	421.73	6.96	-59.08
CC(C[NH+](C)C)C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028698339	0	48	0.0	-74.75	364.06	4.28	-70.47
C[N@@H+]1CCCCC1CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028698444	0	52	0.0	-67.93	392.07	4.18	-63.75
C[N@H+]1CCCCC1CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028698444	1	52	0.0	-67.93	392.07	4.18	-63.75
CC1=C2C=C(C(=O)NC3C4CCCN(C(=O)C5=CC(=O)[N-]O5)C43)C=CN2C=N1	REAL300028698467	0	47	0.0	-83.22	378.20	7.10	-76.12
CC1=C2C=C(C(=O)NC3C4CCCN(C(=O)C5=CC(=O)[N-]O5)C43)C=CN2C=[NH+]1	REAL300028698467	1	47	0.0	-83.22	378.20	7.10	-76.12
CC(C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)N1CC(C)C1	REAL300028698468	0	49	0.0	-69.49	373.32	4.71	-64.78
CC(C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+]1CC(C)C1	REAL300028698468	1	49	0.0	-69.49	373.32	4.71	-64.78
CC1CCN1CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028698472	0	46	0.0	-61.12	358.62	2.79	-58.33
CC1CC[N@@H+]1CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028698472	1	46	0.0	-66.70	355.85	3.98	-62.72
CC1CC[N@H+]1CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028698472	1	46	0.0	-66.70	355.85	3.98	-62.72
C[NH+](C)CC(O)CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028698477	0	49	0.0	-79.88	378.27	2.06	-77.82
CC1CN(C)CC(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)O1	REAL300028698516	0	50	0.0	-89.29	373.98	4.02	-85.27
CC1C[N@H+](C)CC(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)O1	REAL300028698516	1	50	0.0	-68.11	391.83	3.18	-64.93
CC1C[N@@H+](C)CC(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)O1	REAL300028698516	1	50	0.0	-68.11	391.83	3.18	-64.93
O=C(CC[NH+]1CCC(O)CC1)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028698529	0	53	0.0	-77.29	400.75	2.09	-75.20
CCC[N@@H+]1CCCCC1C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028698532	0	55	0.0	-68.77	397.02	5.90	-62.87
CCC[N@H+]1CCCCC1C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028698532	1	55	0.0	-68.77	397.02	5.90	-62.87
CC[NH+]1CCN(CCC(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028698537	0	57	0.0	-74.93	424.27	3.67	-71.26
CCN1CC[NH+](CCC(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028698537	1	57	0.0	-74.93	424.27	3.67	-71.26
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300028698540	0	56	0.0	-55.76	407.61	5.47	-50.29
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300028698540	1	56	0.0	-55.76	407.61	5.47	-50.29
CC(C)C[NH+]1CCC(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028698590	0	58	0.0	-81.67	426.02	6.77	-74.90
C[NH+](C)C1CCN(CC(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028698618	0	57	0.0	-72.62	417.71	3.69	-68.93
C[NH+](C)[C@H]1C[C@H](C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028698641	0	49	0.0	-61.29	382.83	3.72	-57.57
CC(CC[NH+](C)C)C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028698649	0	51	0.0	-74.42	385.70	4.91	-69.51
C[N@H+](CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)[C@@H]1CCC[C@H]1O	REAL300028698683	0	53	0.0	-66.70	395.18	2.30	-64.40
C#CCN1CCCCC1C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028698693	0	51	0.0	-62.61	391.50	5.62	-56.99
C#CC[N@H+]1CCCCC1C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028698693	1	51	0.0	-71.67	387.94	5.69	-65.98
C#CC[N@@H+]1CCCCC1C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028698693	1	51	0.0	-71.67	387.94	5.69	-65.98
CN1CCN(CC(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028698700	0	51	0.0	-71.30	383.39	2.49	-68.81
C[NH+]1CCN(CC(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028698700	1	51	0.0	-71.30	383.39	2.49	-68.81
NC(=[NH2+])SCC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028698746	0	40	0.0	-77.46	333.58	-0.03	-77.49
CC[N@H+]1CCOCC1CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028698794	1	53	0.0	-79.91	392.47	3.53	-76.38
C[NH+](C)CCC1(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)CCCC1	REAL300028698813	0	58	0.0	-79.77	434.17	5.60	-74.17
CC1CCCC(C)[NH+]1CCC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028698815	0	58	0.0	-62.25	422.81	5.08	-57.17
C[NH+](C)C1CCC(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028698818	0	55	0.0	-84.12	404.49	5.84	-78.28
C[NH+](C)CCC1(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028698819	0	52	0.0	-64.59	398.15	5.39	-59.20
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028698823	0	55	0.0	-62.70	395.97	5.50	-57.20
C[N@@H+]1CC=CCC1CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028698824	0	50	0.0	-71.96	375.58	4.94	-67.02
C[N@H+]1CC=CCC1CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028698824	1	50	0.0	-61.21	378.76	3.95	-57.26
C[C@@H](OCC[NH+](C)C)C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028698856	0	52	0.0	-71.90	396.81	4.66	-67.24
C[NH+]1C2CCC1CC(C(=O)NC1C3CCCN(C(=O)C4=CC(=O)[N-]O4)C31)C2	REAL300028698891	0	53	0.0	-76.95	367.94	5.49	-71.46
CC(C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)N1CCSCC1	REAL300028699054	0	50	0.0	-72.06	380.85	4.86	-67.20
CC(C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+]1CCSCC1	REAL300028699054	1	50	0.0	-72.06	380.85	4.86	-67.20
CCC1CN(CC(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028699057	0	49	0.0	-73.75	377.92	4.88	-68.87
CCC1C[NH+](CC(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028699057	1	49	0.0	-73.75	377.92	4.88	-68.87
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1C[NH+](C2CCOCC2)C1	REAL300028699059	0	54	0.0	-80.08	408.85	3.97	-76.11
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1([NH+]2CCCC2)CCC1	REAL300028699061	0	53	0.0	-63.56	386.53	5.42	-58.14
C[N@@H+]1CCC[C@H]1C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028699072	0	46	0.0	-57.51	352.55	2.51	-55.00
O=C(CC[N@H+]1CCC(F)C1)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028699082	0	49	0.0	-79.03	379.57	4.78	-74.25
COC1C[N@H+](C)C(C)(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028699091	0	53	0.0	-80.39	391.42	3.48	-76.91
O=C(CC[NH+]1CCCCCC1)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028699104	0	55	0.0	-76.03	399.68	5.64	-70.39
CC1C(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC[N@@H+]1C	REAL300028699117	0	49	0.0	-73.52	366.04	3.94	-69.58
CC1C(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC[N@H+]1C	REAL300028699117	1	49	0.0	-73.52	366.04	3.94	-69.58
C[N@@H+]1CCCCC1CCC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028699120	0	55	0.0	-63.70	414.53	4.92	-58.78
C[N@H+]1CCCCC1CCC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028699120	1	55	0.0	-63.70	414.53	4.92	-58.78
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CC[N@@H+]2CCOCC12	REAL300028699158	0	51	0.0	-68.34	373.17	2.92	-65.42
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CC[N@H+]2CCOCC12	REAL300028699158	1	51	0.0	-68.34	373.17	2.92	-65.42
CN1CCOCC1CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028699189	0	50	0.0	-68.21	383.20	1.83	-66.38
C[N@@H+]1CCOCC1CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028699189	1	50	0.0	-68.90	368.78	2.69	-66.21
C[N@H+]1CCOCC1CC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028699189	1	50	0.0	-68.90	368.78	2.69	-66.21
CC1=C(C)NC(CCC(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)=N1	REAL300028699201	0	50	0.0	-60.53	403.19	3.29	-57.24
CC1=C(C)[NH+]=C(CCC(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)N1	REAL300028699201	1	50	0.0	-60.53	403.19	3.29	-57.24
C[NH+](C)CCC1=CC=CC(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)=C1	REAL300028699213	0	55	0.0	-74.22	433.23	6.29	-67.93
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CCN1CC1=CC=CC=C1	REAL300028699217	0	53	0.0	-63.12	417.70	5.65	-57.47
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300028699217	1	53	0.0	-66.65	408.71	6.56	-60.09
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CC[N@H+]1CC1=CC=CC=C1	REAL300028699217	1	53	0.0	-66.65	408.71	6.56	-60.09
CC(C)C[N@@H+]1CCCC(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028699221	0	58	0.0	-72.02	426.85	6.72	-65.30
CC(C)C[N@H+]1CCCC(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028699221	1	58	0.0	-72.02	426.85	6.72	-65.30
C[N@@H+]1CCCC1C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028699389	0	46	0.0	-67.08	354.15	2.61	-64.47
CC1=NC=CN1CCCC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028699585	0	50	0.0	-69.30	407.11	5.04	-64.26
CC1=[NH+]C=CN1CCCC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028699585	1	50	0.0	-69.30	407.11	5.04	-64.26
O=C(CCCCN1CCOCC1)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028699589	0	56	0.0	-76.90	434.40	3.73	-73.17
O=C(CCCC[NH+]1CCOCC1)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028699589	1	56	0.0	-76.90	434.40	3.73	-73.17
C[NH+](C)CC1=CC=C(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C=C1	REAL300028699593	0	52	0.0	-84.25	403.37	6.18	-78.07
O=C(CCN1CCOCC1)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028699594	0	50	0.0	-70.35	382.51	3.03	-67.32
O=C(CC[NH+]1CCOCC1)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028699594	1	50	0.0	-70.35	382.51	3.03	-67.32
CCC[NH+](CCC)CCCC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028699614	0	60	0.0	-67.60	449.83	7.20	-60.40
O=C(NC1C2CCCN(C(=O)C3=CC4=CN=CN4C=C3)C21)C1=CC(=O)[N-]O1	REAL300028699642	0	44	0.0	-78.16	355.45	6.19	-71.97
O=C(NC1C2CCCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)C21)C1=CC(=O)[N-]O1	REAL300028699642	1	44	0.0	-78.16	355.45	6.19	-71.97
C[NH+](C)C1CCCC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028699712	0	55	0.0	-65.39	404.76	4.51	-60.88
C[N@@H+]1CCC(CC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028699719	0	49	0.0	-65.55	374.68	4.76	-60.79
C[N@H+]1CCC(CC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028699719	1	49	0.0	-65.55	374.68	4.76	-60.79
CCC(C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300028699736	0	48	0.0	-63.53	354.54	3.96	-59.57
O=C(NC1C2CCCN(C(=O)C3=NN(C4=CC=NC=C4)C=C3)C21)C1=CC(=O)[N-]O1	REAL300028699746	0	47	0.0	-68.43	391.87	3.84	-64.59
O=C(NC1C2CCCN(C(=O)C3=NN(C4=CC=[NH+]C=C4)C=C3)C21)C1=CC(=O)[N-]O1	REAL300028699746	1	47	0.0	-68.43	391.87	3.84	-64.59
CC1CC2CCC(C(=O)N3CCCC4C(NC(=O)C5=CC(=O)[N-]O5)C43)C[N@@H+]2C1	REAL300028699791	0	56	0.0	-58.98	405.20	6.21	-52.77
CC1CC2CCC(C(=O)N3CCCC4C(NC(=O)C5=CC(=O)[N-]O5)C43)C[N@H+]2C1	REAL300028699791	1	56	0.0	-58.98	405.20	6.21	-52.77
C[NH+](C)CCCCC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028699824	0	51	0.0	-68.55	392.61	5.15	-63.40
CCC[N@H+](C)CCC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028699845	0	51	0.0	-74.46	397.79	4.08	-70.38
CCC[N@@H+](C)CCC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028699845	1	51	0.0	-74.46	397.79	4.08	-70.38
CCC[N@H+](C)CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028699850	0	48	0.0	-71.36	375.38	3.50	-67.86
CCC[N@@H+](C)CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028699850	1	48	0.0	-71.26	375.38	3.50	-67.76
O=C(NC1C2CCCN(C(=O)C34CC[N@H+](C3)CCC4)C21)C1=CC(=O)[N-]O1	REAL300028699874	0	50	0.0	-68.91	369.54	2.88	-66.03
O=C(NC1C2CCCN(C(=O)C34CC[N@@H+](C3)CCC4)C21)C1=CC(=O)[N-]O1	REAL300028699874	1	50	0.0	-67.73	362.10	3.95	-63.78
CCCCCC[N@H+](C)CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028699916	0	57	0.0	-72.62	439.88	5.84	-66.78
CCCCCC[N@@H+](C)CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028699916	1	57	0.0	-67.82	430.96	6.73	-61.09
CC1CC[NH+](CC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028699965	0	52	0.0	-66.50	390.18	5.45	-61.05
O=C(NC1C2CCCN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)C21)C1=CC(=O)[N-]O1	REAL300028699991	1	47	0.0	-79.62	383.41	4.14	-75.48
C[NH+]1CCC(OCC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028699999	0	53	0.0	-71.96	407.20	5.14	-66.82
O=C(NC1C2CCCN(C(=O)C3CC4CCCC[N@@H+]4C3)C21)C1=CC(=O)[N-]O1	REAL300028700059	0	53	0.0	-70.62	401.02	4.63	-65.99
O=C(NC1C2CCCN(C(=O)C3CC4CCCC[N@H+]4C3)C21)C1=CC(=O)[N-]O1	REAL300028700059	1	53	0.0	-63.00	391.11	5.50	-57.50
C[NH+](C)CC1(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028700073	0	49	0.0	-67.01	376.09	4.57	-62.44
CC1=[NH+]C=C2CCC(C(=O)N3CCCC4C(NC(=O)C5=CC(=O)[N-]O5)C43)CN21	REAL300028700074	1	51	0.0	-64.32	394.46	5.59	-58.73
CC(C)[NH+]1CCC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028700084	0	55	0.0	-64.13	414.02	4.84	-59.29
CC[N@H+](C)CCC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028700119	0	48	0.0	-73.59	376.29	3.34	-70.25
CC[N@@H+](C)CCC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028700119	1	48	0.0	-73.60	376.23	3.34	-70.26
O=C(NC1C2CCCN(C(=O)C3C[NH+]4CCC3CC4)C21)C1=CC(=O)[N-]O1	REAL300028700166	0	50	0.0	-64.98	364.92	4.47	-60.51
C[NH+]1CCC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028700255	0	49	0.0	-66.32	380.38	3.69	-62.63
O=C(NC1C2CCCN(C(=O)C3CC[NH+](CC4CC4)CC3)C21)C1=CC(=O)[N-]O1	REAL300028700348	0	56	0.0	-67.04	429.60	5.89	-61.15
CC[NH+](CC)CC(F)C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028700392	0	51	0.0	-71.25	386.93	4.81	-66.44
CC(C)C[N@@H+]1CCC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028700427	0	55	0.0	-57.62	409.47	5.96	-51.66
CC(C)C[N@H+]1CCC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028700427	1	55	0.0	-75.63	410.75	5.85	-69.78
CCC(C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+](CC)CC	REAL300028700457	0	54	0.0	-60.36	388.77	5.13	-55.23
CC1CCC[N@@H+]1CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028700482	0	49	0.0	-67.34	374.14	3.46	-63.88
CC1CCC[N@H+]1CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028700482	1	49	0.0	-55.51	366.13	4.51	-51.00
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028700570	1	53	0.0	-60.45	412.63	6.15	-54.30
CC(C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+]1CCCCCC1	REAL300028700574	0	55	0.0	-66.25	402.91	4.52	-61.73
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028700607	0	52	0.0	-61.36	382.74	4.88	-56.48
CC(C)[N@H+]1CCCC1C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028700607	1	52	0.0	-59.25	374.00	5.32	-53.93
CC(C)[N@@H+]1CCCC1CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028700617	0	55	0.0	-58.34	397.70	5.12	-53.22
CC(C)[N@H+]1CCCC1CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028700617	1	55	0.0	-61.38	396.20	5.56	-55.82
CC1CC[N@H+](CC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028700671	0	49	0.0	-57.67	373.82	4.78	-52.89
CC1CC[N@@H+](CC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028700671	1	49	0.0	-70.62	381.44	3.84	-66.78
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028700672	0	55	0.0	-50.05	405.26	5.26	-44.79
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028700672	1	55	0.0	-63.51	405.65	5.25	-58.26
CC1=[NH+]C=C2CC(C(=O)N3CCCC4C(NC(=O)C5=CC(=O)[N-]O5)C43)CCN21	REAL300028700673	1	51	0.0	-63.26	396.55	5.74	-57.52
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C=C1	REAL300028700675	0	55	0.0	-85.44	425.87	7.01	-78.43
CC1(C)CC[N@H+](CC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028700677	0	52	0.0	-57.07	393.52	5.36	-51.71
CC1(C)CC[N@@H+](CC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028700677	1	52	0.0	-70.65	401.75	4.34	-66.31
C[N@H+](CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)CC(C)(C)C	REAL300028700678	0	54	0.0	-71.35	403.99	4.49	-66.86
C[N@@H+](CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)CC(C)(C)C	REAL300028700678	1	54	0.0	-70.65	406.29	4.65	-66.00
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028700679	0	55	0.0	-74.88	435.29	6.52	-68.36
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028700679	1	55	0.0	-74.92	435.29	6.52	-68.40
CC[C@@H](C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300028700688	0	48	0.0	-65.80	362.08	2.98	-62.82
CC(COCC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+]1CCCC1	REAL300028700695	0	56	0.0	-65.41	425.82	5.80	-59.61
CN(CCC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)C1=CC=[NH+]C=C1	REAL300028700851	0	51	0.0	-71.16	410.87	3.80	-67.36
CC1=[NH+]C=CN1CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028700963	1	44	0.0	-55.42	357.88	4.73	-50.69
CC(C[NH+]1CCOCC1)C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028700965	1	53	0.0	-69.58	396.35	3.46	-66.12
O=C(CCC[NH+]1CCCCC1)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028700983	0	55	0.0	-73.22	421.18	5.33	-67.89
C[NH+](C)CC1=CC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=NO1	REAL300028701000	1	48	0.0	-70.48	390.96	3.43	-67.05
CC1=C(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C=CC2=C[NH+]=CN21	REAL300028701002	0	47	0.0	-73.86	380.07	6.94	-66.92
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028701053	1	50	0.0	-61.64	392.88	5.70	-55.94
O=C(NC1C2CCCN(C(=O)C3CCCC4CCC[N@@H+]43)C21)C1=CC(=O)[N-]O1	REAL300028701100	0	53	0.0	-56.27	391.26	5.73	-50.54
O=C(NC1C2CCCN(C(=O)C3CCCC4CCC[N@H+]43)C21)C1=CC(=O)[N-]O1	REAL300028701100	1	53	0.0	-64.45	400.79	4.80	-59.65
CC[N@@H+]1CCOC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028701132	1	50	0.0	-67.60	377.78	3.87	-63.73
CC[N@H+]1CCOC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028701132	1	50	0.0	-80.10	386.67	2.98	-77.12
O=C(NC1C2CCCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)C21)C1=CC(=O)[N-]O1	REAL300028701200	0	44	0.0	-73.34	355.20	6.18	-67.16
CC1=C[NH+]=CN1CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028701205	1	44	0.0	-62.09	357.17	5.47	-56.62
C[NH+](C)CCN1C=C(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C=N1	REAL300028701211	0	52	0.0	-82.02	408.42	4.20	-77.82
C[NH+](C)CCN1C=CC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=N1	REAL300028701224	0	52	0.0	-64.37	412.24	3.93	-60.44
C[C@@H]1[C@H](C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC[N@@H+]1C	REAL300028701231	0	49	0.0	-75.85	372.01	3.06	-72.79
C[C@@H]1[C@H](C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC[N@H+]1C	REAL300028701231	1	49	0.0	-74.42	374.67	3.61	-70.81
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028701233	1	53	0.0	-66.83	422.08	5.36	-61.47
CC[C@@H]1[C@@H](C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC[N@@H+]1C	REAL300028701236	0	52	0.0	-74.73	393.49	3.73	-71.00
CC[C@@H]1[C@@H](C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC[N@H+]1C	REAL300028701236	1	52	0.0	-58.95	390.65	5.22	-53.73
CC1CCC(C)[NH+]1CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028701255	0	52	0.0	-67.43	393.30	4.10	-63.33
O=C(CCC[NH+]1CCCC1)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028701262	0	52	0.0	-67.16	397.07	5.54	-61.62
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=C1	REAL300028701263	0	52	0.0	-78.67	403.38	6.18	-72.49
C#CC[NH+]1CCC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028701269	0	51	0.0	-69.44	404.38	4.80	-64.64
O=C(CC[NH+]1CCCCC1)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028701270	0	52	0.0	-67.22	391.24	5.44	-61.78
O=C(CN1C=[NH+]C2=C1CCCC2)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028701289	1	51	0.0	-68.08	407.07	6.13	-61.95
C[NH+](C)CC1(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CCCCC1	REAL300028701324	0	58	0.0	-70.47	414.59	4.82	-65.65
C[N@H+](CCC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)C1CCCCC1	REAL300028701328	0	58	0.0	-74.95	434.54	5.72	-69.23
C[N@@H+](CCC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)C1CCCCC1	REAL300028701328	1	58	0.0	-68.64	425.64	6.61	-62.03
C[NH+](C)C1(CC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CCCC1	REAL300028701331	0	55	0.0	-75.80	399.28	4.55	-71.25
C[N@H+](CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)C1CCC1	REAL300028701550	0	49	0.0	-69.05	381.57	4.04	-65.01
C[N@@H+](CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)C1CCC1	REAL300028701550	1	49	0.0	-56.89	373.64	5.12	-51.77
CC(C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+]1C(C)CCC1C	REAL300028701579	0	55	0.0	-61.60	396.82	5.28	-56.32
O=C(CCCC[NH+]1CCCC1)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028701599	0	55	0.0	-67.07	418.57	6.32	-60.75
C[N@H+](CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)CC1=CC=CC=C1	REAL300028701602	1	52	0.0	-70.67	403.89	6.56	-64.11
C[N@@H+](CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)CC1=CC=CC=C1	REAL300028701602	1	52	0.0	-75.83	412.86	5.68	-70.15
C[NH+]1CCC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028701618	0	49	0.0	-66.32	380.38	3.69	-62.63
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028701673	0	46	0.0	-68.31	354.59	2.64	-65.67
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028701673	1	46	0.0	-62.05	351.70	3.79	-58.26
C[N@@H+]1CCCC1CCC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028701704	0	52	0.0	-66.27	394.59	5.51	-60.76
C[N@H+]1CCCC1CCC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028701704	1	52	0.0	-65.68	388.86	5.07	-60.61
O=C(NC1C2CCCN(C(=O)C3CCC4CCCC[N@@H+]43)C21)C1=CC(=O)[N-]O1	REAL300028701720	0	53	0.0	-60.41	391.57	5.72	-54.69
O=C(NC1C2CCCN(C(=O)C3CCC4CCCC[N@H+]43)C21)C1=CC(=O)[N-]O1	REAL300028701720	1	53	0.0	-59.03	393.70	5.72	-53.31
CCC[N@@H+]1CCCC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028701805	0	55	0.0	-53.53	401.73	6.03	-47.50
CCC[N@H+]1CCCC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028701805	1	55	0.0	-60.64	400.43	5.90	-54.74
CC(C)[N@@H+]1CCOC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028701822	1	53	0.0	-68.05	389.80	4.39	-63.66
CC(C)[N@H+]1CCOC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028701822	1	53	0.0	-66.40	394.55	4.37	-62.03
O=C(C[NH+]1CCC(CO)CC1)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028701901	0	53	0.0	-74.25	409.54	1.26	-72.99
C[NH+]1C2CCC1CC(=CC(=O)N1CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C31)C2	REAL300028701942	0	54	0.0	-62.53	399.85	5.80	-56.73
CC1C(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC[N@@H+]1C	REAL300028701961	0	49	0.0	-73.10	372.13	3.34	-69.76
CC1C(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC[N@H+]1C	REAL300028701961	1	49	0.0	-65.00	366.81	4.06	-60.94
C[N@@H+]1CCCCC1CCC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028701965	0	55	0.0	-70.46	416.74	5.07	-65.39
C[N@H+]1CCCCC1CCC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028701965	1	55	0.0	-66.65	408.67	5.95	-60.70
NC1=[NH+]C2=C(C=C1C(=O)N1CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C31)CCC2	REAL300028702001	1	49	0.0	-55.22	385.59	3.90	-51.32
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028702074	0	52	0.0	-67.63	397.15	3.76	-63.87
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028702074	1	52	0.0	-58.10	388.62	4.75	-53.35
O=C(NC1C2CCCN(C(=O)C3CCN(C4=CC=[NH+]C=C4)C3)C21)C1=CC(=O)[N-]O1	REAL300028702092	0	52	0.0	-67.79	397.34	3.33	-64.46
C[C@@H](C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300028702097	0	45	0.0	-61.02	344.57	3.41	-57.61
C[NH+](C)CC1=CC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=CC=N1	REAL300028702118	1	51	0.0	-74.02	399.25	4.34	-69.68
C=CCC(C)(C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300028702124	0	52	0.0	-58.36	372.15	4.41	-53.95
CC[NH+](CC)CCSCC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028702158	0	55	0.0	-68.92	425.33	6.04	-62.88
NC1=C(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C=[NH+]C2=CC=CC=C21	REAL300028702159	1	48	0.0	-49.69	383.19	3.24	-46.45
O=C(CC[NH+]1CCCC1)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028702164	0	49	0.0	-67.26	375.55	4.74	-62.52
C[N@H+](CCO)CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028702173	1	46	0.0	-71.57	364.24	-0.49	-72.06
C[N@@H+](CCO)CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028702173	1	46	0.0	-72.12	364.02	-0.49	-72.61
O=C(NC1C2CCCN(C(=O)C3C[N@@H+]4CCN3CCC4)C21)C1=CC(=O)[N-]O1	REAL300028702211	0	52	0.0	-55.20	374.89	2.35	-52.85
O=C(NC1C2CCCN(C(=O)C3C[N@H+]4CCN3CCC4)C21)C1=CC(=O)[N-]O1	REAL300028702211	1	52	0.0	-74.33	370.16	2.30	-72.03
CC(C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+]1CCSCC1	REAL300028702241	1	50	0.0	-66.18	383.85	4.92	-61.26
C[N@H+]1CC=C(CC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028702287	0	50	0.0	-64.78	387.62	5.49	-59.29
C[N@@H+]1CC=C(CC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028702287	1	50	0.0	-68.20	394.80	4.48	-63.72
C[S+](C)CCC(O)C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028702304	0	48	0.0	-59.04	395.86	1.65	-57.39
CN1CC[N@H+](C)CC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028702346	0	54	0.0	-64.37	395.44	2.75	-61.62
CN1CC[N@@H+](C)CC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028702346	1	54	0.0	-60.72	394.76	2.99	-57.73
CC(C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[N@@H+]1CCCC(O)C1	REAL300028702347	0	53	0.0	-54.35	396.55	2.19	-52.16
CC(C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[N@H+]1CCCC(O)C1	REAL300028702347	1	53	0.0	-57.19	398.00	1.99	-55.20
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028702388	0	53	0.0	-71.25	403.62	2.56	-68.69
C[N@H+]1CCCC(O)(CC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028702388	1	53	0.0	-71.99	393.86	2.39	-69.60
CC1C[NH+](CC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028702394	1	46	0.0	-59.43	358.52	4.27	-55.16
CC[N@@H+]1CCCC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028702400	0	52	0.0	-53.45	380.23	5.29	-48.16
CC[N@H+]1CCCC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028702400	1	52	0.0	-73.56	385.48	4.94	-68.62
NC1=[NH+]C=CC=C1CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028702413	0	45	0.0	-55.40	362.69	2.97	-52.43
O=C(NC1C2CCCN(C(=O)C3CCC[N@@H+]3C3CC3)C21)C1=CC(=O)[N-]O1	REAL300028702426	0	50	0.0	-66.53	390.22	4.41	-62.12
O=C(NC1C2CCCN(C(=O)C3CCC[N@H+]3C3CC3)C21)C1=CC(=O)[N-]O1	REAL300028702426	1	50	0.0	-48.97	367.23	4.75	-44.22
O=C(C=CC[NH+]1CCCC1)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028702480	0	50	0.0	-77.68	388.72	5.38	-72.30
O=C(NC1C2CCCN(C(=O)C3CC[NH+](C4CC4)CC3)C21)C1=CC(=O)[N-]O1	REAL300028702508	0	53	0.0	-58.86	394.73	5.76	-53.10
CC[N@H+](C)CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028702554	0	45	0.0	-66.34	344.96	3.64	-62.70
O=C(CN1CC2C=CC1C2)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028702623	0	48	0.0	-53.83	367.93	4.97	-48.86
O=C(C[N@@H+]1CC2C=CC1C2)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028702623	1	48	0.0	-69.14	375.30	4.09	-65.05
O=C(C[N@H+]1CC2C=CC1C2)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028702623	1	48	0.0	-69.14	375.30	4.09	-65.05
CC1=CC=C(NCCC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)N=C1	REAL300028702646	0	51	0.0	-62.52	406.11	4.40	-58.12
CC1=CC=C(NCCC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)[NH+]=C1	REAL300028702646	1	51	0.0	-62.52	406.11	4.40	-58.12
CC(OCC[NH+](C)C)C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028702790	0	52	0.0	-66.52	398.38	4.53	-61.99
C[NH+](C)CCOCCC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028702803	0	52	0.0	-65.03	404.07	3.80	-61.23
COCCN(C)CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028702805	0	49	0.0	-72.08	386.28	1.91	-70.17
COCC[N@H+](C)CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028702805	1	49	0.0	-71.81	386.49	1.92	-69.89
COCC[N@@H+](C)CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028702805	1	49	0.0	-71.81	386.49	1.92	-69.89
CC(CCC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300028702812	0	51	0.0	-70.06	380.53	4.74	-65.32
CC[N@H+](CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)C1CC1	REAL300028702851	0	49	0.0	-62.87	375.82	4.99	-57.88
CC[N@@H+](CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)C1CC1	REAL300028702851	1	49	0.0	-63.75	373.57	4.93	-58.82
CC1C[N@@H+]2CCN1C(C(=O)N1CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C31)C2	REAL300028702862	0	52	0.0	-55.51	378.18	1.79	-53.72
CC1C[N@H+]2CCN1C(C(=O)N1CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C31)C2	REAL300028702862	1	52	0.0	-65.66	376.67	1.66	-64.00
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028702906	1	49	0.0	-62.08	400.13	2.78	-59.30
O=C(C[N@@H+]1CC2CCC1C2)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028702914	0	50	0.0	-53.99	371.54	5.01	-48.98
O=C(C[N@H+]1CC2CCC1C2)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028702914	1	50	0.0	-54.01	371.74	5.04	-48.97
CC(C)[NH+]1CCC(CC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028702930	0	58	0.0	-68.66	430.05	5.46	-63.20
CC(C[NH+](C)C)C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028702944	0	48	0.0	-71.82	365.44	4.09	-67.73
C[C@H](C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300028702986	0	45	0.0	-70.33	350.88	2.34	-67.99
CC[N@@H+]1CCC1C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028702999	1	46	0.0	-64.98	358.45	3.89	-61.09
CC[N@H+]1CCC1C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028702999	1	46	0.0	-58.58	358.81	4.04	-54.54
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028703014	0	55	0.0	-52.21	396.90	5.80	-46.41
CC(C)[N@H+]1CCCC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028703014	1	55	0.0	-63.67	404.79	4.92	-58.75
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028703035	0	54	0.0	-64.92	391.96	3.57	-61.35
C#CC[N@H+]1CCCCC1C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028703087	1	51	0.0	-61.98	385.10	5.45	-56.53
C#CC[N@@H+]1CCCCC1C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028703087	1	51	0.0	-66.19	401.82	4.85	-61.34
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028703090	1	48	0.0	-56.99	380.16	3.70	-53.29
NC1=CC=[NH+]C=C1C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028703091	0	42	0.0	-58.44	339.04	0.99	-57.45
C[NH+](C)C(CC1=CC=CC=C1)C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028703097	0	55	0.0	-71.16	411.78	6.82	-64.34
CCCC(C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300028703104	0	51	0.0	-62.51	376.55	4.61	-57.90
CC(CC[NH+](C)C)C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028703133	0	51	0.0	-73.05	387.08	4.72	-68.33
O=C(NC1C2CCCN(C(=O)[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C21)C1=CC(=O)[N-]O1	REAL300028703192	0	56	0.0	-75.59	393.17	5.41	-70.18
O=C(NC1C2CCCN(C(=O)[C@@H]3CCC[N@H+]4CCCC[C@H]34)C21)C1=CC(=O)[N-]O1	REAL300028703192	1	56	0.0	-58.64	399.38	6.37	-52.27
COCCCC[N@H+](C)CCC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028703271	0	58	0.0	-78.46	452.91	3.96	-74.50
COCCCC[N@@H+](C)CCC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028703271	1	58	0.0	-78.49	452.96	3.93	-74.56
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028703281	0	52	0.0	-61.45	386.00	4.54	-56.91
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028703281	1	52	0.0	-64.42	389.31	4.97	-59.45
C[NH+](C)CCCCCC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028703287	0	54	0.0	-68.16	414.10	5.93	-62.23
O=C(CC[NH+]1CCC(O)CC1)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028703293	0	53	0.0	-76.46	410.78	1.18	-75.28
CCC[N@@H+]1CCCCC1C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028703298	0	55	0.0	-68.74	407.79	4.76	-63.98
CCC[N@H+]1CCCCC1C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028703298	1	55	0.0	-51.33	400.29	5.72	-45.61
CC[NH+]1CCN(CCC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028703308	0	57	0.0	-74.29	433.57	2.73	-71.56
CCN1CC[NH+](CCC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028703308	1	57	0.0	-74.51	434.74	2.79	-71.72
C[NH+]1CCN(CC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028703312	1	51	0.0	-70.98	394.81	1.58	-69.40
CC(C)C[NH+]1CCC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028703440	0	58	0.0	-78.52	424.37	6.42	-72.10
CC1C[N@H+](C)CC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)O1	REAL300028703443	1	50	0.0	-76.34	375.75	4.15	-72.19
CC1C[N@@H+](C)CC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)O1	REAL300028703443	1	50	0.0	-63.09	381.89	4.13	-58.96
CCC1CCC[N@H+](CC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028703481	0	55	0.0	-71.59	410.10	5.17	-66.42
CCC1CCC[N@@H+](CC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028703481	1	55	0.0	-57.42	409.42	6.23	-51.19
C[NH+](C)CC1=CC=C(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)N1	REAL300028703491	0	50	0.0	-83.17	389.60	4.67	-78.50
O=C(C[NH+]1CC2CC2C1)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028703513	0	47	0.0	-57.37	363.77	5.00	-52.37
O=C(CC1([NH+]2CCCC2)CC1)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028703533	0	53	0.0	-69.76	400.15	4.79	-64.97
CC([NH2+]C1(CO)CCCC1)C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028703552	0	56	0.0	-63.92	408.50	0.89	-63.03
C[N@@H+]1CCCCC1C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028703583	0	49	0.0	-64.50	356.26	4.03	-60.47
C[N@H+]1CCCCC1C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028703583	1	49	0.0	-65.17	356.15	4.07	-61.10
O=C(NC1C2CCCN(C(=O)C3CC[N@@H+]3CC3=CC=CC=C3)C21)C1=CC(=O)[N-]O1	REAL300028703589	1	53	0.0	-68.46	419.25	5.73	-62.73
O=C(NC1C2CCCN(C(=O)C3CC[N@H+]3CC3=CC=CC=C3)C21)C1=CC(=O)[N-]O1	REAL300028703589	1	53	0.0	-68.17	417.41	6.87	-61.30
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028703596	0	58	0.0	-53.89	419.17	6.71	-47.18
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028703596	1	58	0.0	-62.94	425.23	6.59	-56.35
C[NH+](C)C1CCN(CC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028703654	0	57	0.0	-71.07	428.79	2.77	-68.30
C[N@@H+]1CCC(=CC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028703720	0	47	0.0	-76.85	363.71	4.52	-72.33
C[N@H+]1CCC(=CC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028703720	1	47	0.0	-76.83	363.92	4.53	-72.30
O=C(CNC1=CC=[NH+]C=C1)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028703728	0	45	0.0	-72.55	371.86	1.35	-71.20
CC[NH+]1CCN(CC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028703791	0	54	0.0	-69.16	412.55	2.26	-66.90
O=C(C=C1C[NH+]2CCC1CC2)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028703792	0	51	0.0	-63.88	391.41	4.50	-59.38
C[N@H+](CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[C@@H]1CCC[C@H]1O	REAL300028703853	0	53	0.0	-54.47	398.16	2.52	-51.95
C[N@@H+](CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[C@@H]1CCC[C@H]1O	REAL300028703853	1	53	0.0	-64.64	398.01	2.34	-62.30
O=C(NC1C2CCCN(C(=O)C3C[NH+](C4CCOCC4)C3)C21)C1=CC(=O)[N-]O1	REAL300028703862	0	54	0.0	-78.65	418.59	3.04	-75.61
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028703878	0	46	0.0	-63.35	349.49	3.80	-59.55
C[N@H+]1CCC[C@H]1C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028703878	1	46	0.0	-67.10	354.80	2.64	-64.46
CCN1CCOCC1CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028703916	0	53	0.0	-69.15	391.06	3.36	-65.79
CC[N@@H+]1CCOCC1CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028703916	1	53	0.0	-68.71	390.61	3.27	-65.44
CC[N@H+]1CCOCC1CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028703916	1	53	0.0	-68.71	390.61	3.27	-65.44
O=C(NC1C2CCCN(C(=O)C3=CC(=O)NC4=C3CCC[NH2+]4)C21)C1=CC(=O)[N-]O1	REAL300028703923	0	50	0.0	-92.59	403.40	1.49	-91.10
O=C(NC1C2CCCN(C(=O)C3C[NH+](C4CCCCC4)C3)C21)C1=CC(=O)[N-]O1	REAL300028703943	0	56	0.0	-69.85	418.45	6.28	-63.57
NC1=NC2=CC(C(=O)N3CCCC4C(NC(=O)C5=CC(=O)[N-]O5)C43)=CC=C2N1	REAL300028704021	0	46	0.0	-72.26	369.40	3.93	-68.33
NC1=[NH+]C2=CC(C(=O)N3CCCC4C(NC(=O)C5=CC(=O)[N-]O5)C43)=CC=C2N1	REAL300028704021	1	46	0.0	-72.26	369.40	3.93	-68.33
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028704068	0	49	0.0	-57.22	377.88	4.83	-52.39
CC1CCCC(C)[NH+]1CCC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028704080	0	58	0.0	-64.58	417.94	6.12	-58.46
C[NH+](C)C1CCC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028704083	0	55	0.0	-66.72	414.11	4.80	-61.92
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028704087	0	55	0.0	-58.57	404.56	4.46	-54.11
C[N@@H+]1CC=CCC1CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028704088	0	50	0.0	-48.87	373.56	5.17	-43.70
C[N@H+]1CC=CCC1CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028704088	1	50	0.0	-49.05	374.79	5.14	-43.91
CC1=CC(C=CC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=C[NH+]=C1N	REAL300028704152	1	49	0.0	-62.37	400.43	3.09	-59.28
C[NH+](C)CCOCC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028704168	0	49	0.0	-67.28	383.07	4.10	-63.18
CCCCC[N@H+](C)CCC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028704175	0	57	0.0	-75.45	440.73	5.67	-69.78
CCCCC[N@@H+](C)CCC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028704175	1	57	0.0	-75.42	440.79	5.64	-69.78
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)O1	REAL300028704188	0	53	0.0	-72.27	411.17	3.95	-68.32
[NH2+]=C1SC=CN1CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028704214	0	42	0.0	-51.84	355.52	3.30	-48.54
C[C@@H](OCC[NH+](C)C)C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028704297	0	52	0.0	-70.66	406.56	3.62	-67.04
O=C(CC[NH+]1CCCCCC1)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028704362	0	55	0.0	-68.58	401.26	5.64	-62.94
O=C(C[NH+]1CCCCC1)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028704367	0	49	0.0	-70.93	377.86	3.95	-66.98
C[N@@H+]1CCCC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028704369	0	49	0.0	-74.06	380.11	3.63	-70.43
C[N@H+]1CCCC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028704369	1	49	0.0	-74.73	379.40	3.56	-71.17
O=C(C[NH+]1CCC(CO)CC1)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028704371	0	53	0.0	-74.25	409.54	1.26	-72.99
O=C(C[NH+]1CCCCCC1)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028704377	0	52	0.0	-70.82	387.27	4.14	-66.68
CN1C=C[N+](CC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=C1	REAL300028704384	0	44	0.0	-55.67	359.68	6.63	-49.04
C[NH+](C)CC1=CC=C(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)O1	REAL300028704404	1	49	0.0	-81.69	389.78	5.07	-76.62
C[NH+](C)CC1=CC=C(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C=N1	REAL300028704412	0	51	0.0	-67.59	409.04	3.63	-63.96
O=C(C[NH+]1CCC(O)CC1)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028704427	1	50	0.0	-76.23	388.96	0.61	-75.62
C[N@H+](CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)C1CC1	REAL300028704434	0	46	0.0	-67.73	365.40	3.50	-64.23
C[N@@H+](CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)C1CC1	REAL300028704434	1	46	0.0	-68.84	365.53	3.50	-65.34
CC(C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)N1CC[NH+](C)CC1	REAL300028704436	1	54	0.0	-70.73	403.28	2.96	-67.77
O=C(CC[N@H+]1CCC(F)C1)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028704442	0	49	0.0	-61.89	383.05	4.98	-56.91
O=C(CC[N@@H+]1CCC(F)C1)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028704442	1	49	0.0	-71.92	380.70	4.79	-67.13
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=C1	REAL300028704473	0	55	0.0	-80.30	425.87	7.01	-73.29
CC(CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)C[NH+](C)C	REAL300028704479	0	51	0.0	-67.96	384.43	5.02	-62.94
O=C(NC1C2CCCN(C(=O)C3CC[N@@H+]4CCOCC34)C21)C1=CC(=O)[N-]O1	REAL300028704500	0	51	0.0	-70.32	383.10	3.13	-67.19
O=C(NC1C2CCCN(C(=O)C3CC[N@H+]4CCOCC34)C21)C1=CC(=O)[N-]O1	REAL300028704500	1	51	0.0	-61.13	378.92	3.27	-57.86
CC1=[NH+]C=C2C=CC(C(=O)N3CCCC4C(NC(=O)C5=CC(=O)[N-]O5)C43)=CN21	REAL300028704508	0	47	0.0	-68.55	392.40	5.23	-63.32
C[N@@H+]1CCOCC1CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028704531	1	50	0.0	-61.29	371.74	2.82	-58.47
C[N@H+]1CCOCC1CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028704531	1	50	0.0	-60.82	370.50	2.86	-57.96
C[NH+](C)CC(C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)C1=CC=CC=C1	REAL300028704539	0	55	0.0	-65.78	418.44	6.71	-59.07
CC[NH+]1CCN(CC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028704544	0	54	0.0	-69.16	412.55	2.26	-66.90
CC1=CC(N)=[NH+]C=C1C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028704602	1	45	0.0	-56.47	359.60	2.38	-54.09
NC1=CC=C(CCC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C=[NH+]1	REAL300028704605	0	48	0.0	-65.57	386.24	3.51	-62.06
CC1(O)CC[N@H+](CC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028704661	0	50	0.0	-72.04	392.32	0.49	-71.55
CC1(O)CC[N@@H+](CC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028704661	1	50	0.0	-59.48	384.85	1.51	-57.97
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028704671	0	52	0.0	-63.43	405.02	4.27	-59.16
C[NH+]1CC(CC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028704705	0	46	0.0	-66.80	358.68	3.83	-62.97
O=C(NC1C2CCCN(C(=O)C3CC[N@@H+]3C3CCCC3)C21)C1=CC(=O)[N-]O1	REAL300028704711	0	53	0.0	-60.26	399.90	6.02	-54.24
O=C(NC1C2CCCN(C(=O)C3CC[N@H+]3C3CCCC3)C21)C1=CC(=O)[N-]O1	REAL300028704711	1	53	0.0	-65.72	396.68	5.68	-60.04
C[NH+](C)CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028704721	0	42	0.0	-67.27	327.24	2.96	-64.31
C[N@H+](CCO)CCC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028704764	0	49	0.0	-72.91	386.58	0.12	-72.79
C[N@@H+](CCO)CCC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028704764	1	49	0.0	-73.23	386.56	0.12	-73.11
C[C@@H](C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300028704765	0	45	0.0	-61.02	344.57	3.41	-57.61
C[N@@H+]1CCCCC1CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028704787	0	52	0.0	-48.65	379.11	5.24	-43.41
C[N@H+]1CCCCC1CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028704787	1	52	0.0	-59.07	378.95	5.05	-54.02
CC1=C2C=C(C(=O)N3CCCC4C(NC(=O)C5=CC(=O)[N-]O5)C43)C=CN2C=[NH+]1	REAL300028704814	1	47	0.0	-75.88	377.35	6.75	-69.13
CC(C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+]1CC(C)C1	REAL300028704815	0	49	0.0	-67.26	384.72	3.58	-63.68
CC1CC[N@@H+]1CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028704820	1	46	0.0	-69.11	361.45	2.93	-66.18
CC1CC[N@H+]1CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028704820	1	46	0.0	-58.54	359.75	4.19	-54.35
C[NH+](C)CC=CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028704836	0	46	0.0	-79.00	363.64	4.21	-74.79
CC1(C)C[NH+](CC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028704851	1	49	0.0	-71.73	386.56	3.65	-68.08
O=C(CCCC[NH+]1CCCCC1)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028704865	0	58	0.0	-67.24	434.24	7.02	-60.22
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)N1	REAL300028704878	1	50	0.0	-61.58	397.48	4.29	-57.29
C[NH+]1CCC(C2(C(=O)N3CCCC4C(NC(=O)C5=CC(=O)[N-]O5)C43)CC2)CC1	REAL300028704889	0	56	0.0	-60.83	411.51	6.00	-54.83
CC1=C2C=C(C(=O)N3CCCC4C(NC(=O)C5=CC(=O)[N-]O5)C43)C=CN2C=[NH+]1	REAL300028704898	1	47	0.0	-75.88	377.35	6.75	-69.13
C[NH+](C)CCSCC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028704909	0	49	0.0	-70.83	394.14	4.97	-65.86
CC(C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[N@H+](C)CC1=CC=CC=C1	REAL300028704928	0	55	0.0	-52.89	420.35	7.03	-45.86
CC(C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[N@@H+](C)CC1=CC=CC=C1	REAL300028704928	1	55	0.0	-73.34	429.16	6.02	-67.32
NC1=[NH+]C2=C(C=C1C(=O)N1CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C31)CCCC2	REAL300028704932	1	52	0.0	-57.00	402.18	4.43	-52.57
O=C(C[N@H+]1CCCC1CO)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028704940	0	50	0.0	-61.63	372.71	1.47	-60.16
O=C(C[N@@H+]1CCCC1CO)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028704940	1	50	0.0	-70.48	389.18	0.63	-69.85
CC[NH+](CC)CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028704943	0	48	0.0	-64.94	362.92	4.28	-60.66
C[N@H+](CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)C1CCSC1	REAL300028704956	0	50	0.0	-73.16	386.53	5.23	-67.93
C[N@@H+](CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)C1CCSC1	REAL300028704956	1	50	0.0	-64.61	387.71	5.36	-59.25
O=C(C[NH+]1CCC1)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028704958	1	43	0.0	-71.42	346.25	2.50	-68.92
CC[NH+](CC)CCC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028705006	0	51	0.0	-66.79	385.24	4.91	-61.88
NC(=O)C1CC[NH+](CC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028705028	0	53	0.0	-78.81	405.25	1.51	-77.30
C[NH+](C)CC1=CNC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=C1	REAL300028705075	0	50	0.0	-76.28	390.86	4.58	-71.70
CC(C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+]1CCC(O)CC1	REAL300028705096	0	53	0.0	-72.14	405.77	0.99	-71.15
O=C(NC1C2CCCN(C(=O)C3CC4COCC[N@@H+]4C3)C21)C1=CC(=O)[N-]O1	REAL300028705102	0	51	0.0	-64.97	382.05	3.18	-61.79
O=C(NC1C2CCCN(C(=O)C3CC4COCC[N@H+]4C3)C21)C1=CC(=O)[N-]O1	REAL300028705102	1	51	0.0	-62.95	383.77	3.25	-59.70
CC(C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+]1CCC1	REAL300028705120	1	46	0.0	-63.25	355.76	2.57	-60.68
CCC(CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)C[NH+](C)C	REAL300028705131	0	54	0.0	-68.68	402.18	5.65	-63.03
NC1=CC=C(C=CC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C=[NH+]1	REAL300028705138	0	46	0.0	-77.25	373.77	3.20	-74.05
C[NH+](C)C(CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)C1=CC=CC=C1	REAL300028705175	0	55	0.0	-71.69	417.10	6.98	-64.71
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028705206	0	49	0.0	-70.47	365.36	3.14	-67.33
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028705206	1	49	0.0	-67.90	376.68	3.69	-64.21
CC1CN2CC[N@@H+]1CC2C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028705220	0	52	0.0	-79.51	384.14	0.62	-78.89
CC1CN2CC[N@H+]1CC2C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028705220	1	52	0.0	-79.49	384.16	0.61	-78.88
C[NH+](C)CC(O)CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028705248	0	49	0.0	-70.97	379.74	2.03	-68.94
C[NH+]1C2CCC1CC(C(=O)N1CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C31)C2	REAL300028705251	0	53	0.0	-66.44	381.01	3.80	-62.64
C=CCC(C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300028705300	0	49	0.0	-64.91	368.05	4.40	-60.51
O=C(NC1C2CCCN(C(=O)C3CC4CCCC[N@@H+]4C3)C21)C1=CC(=O)[N-]O1	REAL300028705312	0	53	0.0	-70.62	401.02	4.63	-65.99
O=C(NC1C2CCCN(C(=O)C3CC4CCCC[N@H+]4C3)C21)C1=CC(=O)[N-]O1	REAL300028705312	1	53	0.0	-63.00	391.11	5.50	-57.50
C[NH+]1CCC(O)(CC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028705330	0	53	0.0	-74.96	405.82	2.40	-72.56
COCC[N@@H+]1CCCC1CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028705345	0	56	0.0	-65.47	416.22	4.32	-61.15
COCC[N@H+]1CCCC1CC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028705345	1	56	0.0	-64.97	425.67	4.42	-60.55
C[NH+]1C2CCC1CC(CC(=O)N1CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C31)C2	REAL300028705354	0	56	0.0	-63.44	392.92	5.47	-57.97
C[NH+](C)CCN1N=CC=C1C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028705396	0	52	0.0	-97.51	381.10	4.44	-93.07
C[NH+]1CCC(C2(C(=O)NC3C4CCCN(C(=O)C5=CC(=O)[N-]O5)C43)CC2)CC1	REAL300028705445	0	56	0.0	-67.50	411.01	6.46	-61.04
CC1=C2C=C(C(=O)NC3C4CCCN(C(=O)C5=CC(=O)[N-]O5)C43)C=CN2C=[NH+]1	REAL300028705457	1	47	0.0	-83.22	378.20	7.10	-76.12
C[NH+](C)CCSCC(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028705469	0	49	0.0	-82.84	392.56	4.94	-77.90
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CC2COCC[N@@H+]2C1	REAL300028705481	0	51	0.0	-75.50	384.27	3.35	-72.15
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CC2COCC[N@H+]2C1	REAL300028705481	1	51	0.0	-61.30	391.65	2.36	-58.94
C[N@@H+]1CCCC1C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028705641	0	48	0.0	-73.75	357.90	2.74	-71.01
C[N@H+]1CCCC1C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028705641	1	48	0.0	-71.29	355.65	2.89	-68.40
C[N@@H+]1CCOC(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028705665	1	49	0.0	-79.56	368.21	2.49	-77.07
C[N@H+]1CCOC(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028705665	1	49	0.0	-69.36	366.08	2.65	-66.71
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028705849	1	55	0.0	-65.72	421.26	5.52	-60.20
CC(C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300028705856	0	57	0.0	-66.86	405.27	4.81	-62.05
CC(C)[N@@H+]1CCCCC1C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028705858	0	57	0.0	-65.17	404.17	4.99	-60.18
CC(C)[N@H+]1CCCCC1C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028705858	1	57	0.0	-68.75	404.86	4.77	-63.98
CC(C)[N@@H+]1CCCC1C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028705892	0	54	0.0	-67.00	384.99	4.38	-62.62
CC(C)[N@H+]1CCCC1C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028705892	1	54	0.0	-73.28	390.30	4.43	-68.85
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@@H+]2C1	REAL300028705918	0	55	0.0	-68.97	404.88	5.11	-63.86
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@H+]2C1	REAL300028705918	1	55	0.0	-70.43	404.65	5.11	-65.32
CC(C)C1=[NH+]C=CN1CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028705951	1	52	0.0	-65.85	402.87	5.17	-60.68
CC1=[NH+]C=CN1CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028706005	1	46	0.0	-66.78	366.65	4.05	-62.73
CC(C[NH+]1CCOCC1)C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028706007	0	55	0.0	-72.71	408.50	3.14	-69.57
O=C(CCC[NH+]1CCCCC1)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028706029	0	57	0.0	-71.60	421.30	5.59	-66.01
CC(C)(C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300028706056	0	57	0.0	-77.08	407.24	5.17	-71.91
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+]2CCC1CC2	REAL300028706075	0	52	0.0	-84.21	379.15	3.97	-80.24
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC2CCC[N@@H+]21	REAL300028706133	0	55	0.0	-70.33	394.53	4.89	-65.44
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC2CCC[N@H+]21	REAL300028706133	1	55	0.0	-70.02	394.55	4.91	-65.11
C[NH+](C)CCN1C=C(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300028706135	0	54	0.0	-84.75	422.17	3.68	-81.07
C[NH+](C)CCN1C=CC(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300028706150	0	54	0.0	-93.27	422.56	3.70	-89.57
C[C@@H]1[C@H](C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028706157	0	51	0.0	-73.31	374.65	3.62	-69.69
C[C@@H]1[C@H](C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028706157	1	51	0.0	-73.64	379.85	3.66	-69.98
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028706160	1	55	0.0	-65.71	423.08	5.63	-60.08
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028706163	0	54	0.0	-72.70	394.45	4.10	-68.60
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028706163	1	54	0.0	-72.44	398.03	4.42	-68.02
CC[N@@H+]1CCOC(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028706189	1	52	0.0	-88.92	393.08	3.29	-85.63
CC[N@H+]1CCOC(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028706189	1	52	0.0	-68.73	385.22	3.34	-65.39
CC[NH+](CC)CC(F)C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028706249	0	53	0.0	-78.00	395.41	3.93	-74.07
C[NH+](C)CC1=C(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)SC=C1	REAL300028706250	0	51	0.0	-60.64	403.43	4.99	-55.65
CC1CCC(C)[NH+]1CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028706355	0	54	0.0	-66.89	392.85	4.26	-62.63
O=C(CCC[NH+]1CCCC1)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028706362	0	54	0.0	-71.37	405.63	4.90	-66.47
C[NH+](C)CC1=CC=CC(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300028706363	0	54	0.0	-73.24	415.30	5.91	-67.33
C#CC[NH+]1CCC(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028706370	0	53	0.0	-82.08	407.13	5.00	-77.08
O=C(CC[NH+]1CCCCC1)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028706371	0	54	0.0	-71.55	399.80	4.79	-66.76
C[NH+](C)CC1=CC=CC=C1C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028706375	0	54	0.0	-61.98	408.06	6.14	-55.84
CC[N@@H+]1CCCCC1C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028706384	0	54	0.0	-70.07	388.45	4.47	-65.60
CC[N@H+]1CCCCC1C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028706384	1	54	0.0	-68.26	386.34	4.45	-63.81
CC(C)C(C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300028706385	0	60	0.0	-68.72	426.74	6.28	-62.44
C[NH+](C)C(C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300028706388	1	54	0.0	-71.19	412.66	5.69	-65.50
CC(C)C[N@@H+]1CCC(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028706414	0	57	0.0	-69.51	420.21	5.37	-64.14
CC(C)C[N@H+]1CCC(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028706414	1	57	0.0	-74.55	422.20	5.20	-69.35
C[NH+](C)C1(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300028706418	0	51	0.0	-67.08	370.93	4.03	-63.05
C[NH+](C)C(CN1C=CC=N1)C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028706420	1	54	0.0	-67.28	410.39	3.77	-63.51
CC(C)[N@@H+]1CCCC1CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028706425	0	57	0.0	-65.53	407.46	4.52	-61.01
CC(C)[N@H+]1CCCC1CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028706425	1	57	0.0	-74.49	407.15	4.41	-70.08
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@@H+]1C1CCCC1	REAL300028706426	0	58	0.0	-67.34	418.76	5.91	-61.43
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@H+]1C1CCCC1	REAL300028706426	1	58	0.0	-68.67	407.38	5.19	-63.48
CC(C)[C@@H](C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028706447	0	53	0.0	-70.86	384.54	4.43	-66.43
C[N@H+](CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300028706509	0	51	0.0	-68.73	383.24	4.41	-64.32
C[N@@H+](CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300028706509	1	51	0.0	-71.52	384.68	4.36	-67.16
CC(C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300028706595	0	57	0.0	-68.47	409.15	4.72	-63.75
CN(CCC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300028706674	0	53	0.0	-74.83	412.35	3.85	-70.98
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028706686	1	50	0.0	-72.38	384.49	3.97	-68.41
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028706686	1	50	0.0	-69.25	389.98	4.74	-64.51
C[N@@H+]1CCCC1CCC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028706696	0	54	0.0	-74.50	399.86	4.23	-70.27
C[N@H+]1CCCC1CCC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028706696	1	54	0.0	-70.67	399.00	4.45	-66.22
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[NH+](CCC1)C2	REAL300028706709	0	55	0.0	-75.45	395.85	4.58	-70.87
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC2CCCC[N@@H+]21	REAL300028706717	0	55	0.0	-71.66	399.11	4.85	-66.81
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC2CCCC[N@H+]21	REAL300028706717	1	55	0.0	-69.49	405.64	5.14	-64.35
CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028706725	0	58	0.0	-68.11	417.81	3.48	-64.63
O=C(CCCC[NH+]1CCCC1)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028706745	0	57	0.0	-71.74	426.10	5.61	-66.13
C[N@H+](CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300028706748	1	54	0.0	-78.54	415.10	5.95	-72.59
C[N@@H+](CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300028706748	1	54	0.0	-75.51	413.84	6.00	-69.51
C[NH+]1CCC(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028706765	0	51	0.0	-82.27	382.48	3.85	-78.42
C[NH+](C)CC1=CC(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300028706825	1	50	0.0	-82.58	395.94	3.17	-79.41
CC1=C(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300028706827	0	49	0.0	-70.53	380.13	6.24	-64.29
C[N@@H+]1CCCCC1C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028706870	0	51	0.0	-68.21	368.21	3.80	-64.41
C[N@H+]1CCCCC1C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028706870	1	51	0.0	-70.40	380.40	3.95	-66.45
CC(C)C[N@@H+]1CCCC1C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028706901	0	57	0.0	-71.13	421.57	5.36	-65.77
CC(C)C[N@H+]1CCCC1C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028706901	1	57	0.0	-67.40	420.45	5.56	-61.84
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN2C=[NH+]C=C2C=C1	REAL300028707058	0	46	0.0	-77.37	368.02	5.71	-71.66
CC1=[NH+]C=CN1CCCC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028707071	1	52	0.0	-68.06	408.13	5.32	-62.74
O=C(CCCC[NH+]1CCOCC1)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028707075	1	58	0.0	-75.00	434.06	3.95	-71.05
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300028707081	0	54	0.0	-77.89	415.37	5.91	-71.98
O=C(CC[NH+]1CCOCC1)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028707082	1	52	0.0	-74.99	391.07	2.36	-72.63
CCC[NH+](CCC)CCCC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028707107	0	62	0.0	-71.72	458.35	6.59	-65.13
CC1=C[NH+]=CN1CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028707127	1	46	0.0	-70.68	366.98	4.78	-65.90
O=C(CN1C=[NH+]C2=C1CCCC2)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028707138	1	53	0.0	-69.98	408.72	6.50	-63.48
C[NH+](C)CC1(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CCCCC1	REAL300028707182	0	60	0.0	-79.74	423.02	5.99	-73.75
C[N@H+](CCC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300028707188	0	60	0.0	-73.18	434.21	5.94	-67.24
C[N@@H+](CCC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300028707188	1	60	0.0	-72.79	434.21	5.94	-66.85
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[NH+]1CCC2	REAL300028707193	0	52	0.0	-80.81	382.55	4.17	-76.64
C[NH+](C)C1CCCC(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028707232	0	57	0.0	-71.17	414.64	5.21	-65.96
C[N@@H+]1CCC(CC(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028707237	0	51	0.0	-73.97	383.70	4.02	-69.95
C[N@H+]1CCC(CC(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028707237	1	51	0.0	-77.83	384.82	3.80	-74.03
CN(C)C1=CC=[NH+]C=C1C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028707251	0	50	0.0	-87.15	389.16	3.17	-83.98
CCC(C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028707257	0	50	0.0	-68.95	365.93	3.51	-65.44
C[NH+](C)C1(CC(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300028707277	0	57	0.0	-73.53	401.02	4.85	-68.68
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC2=C[NH+]=CN2C=C1	REAL300028707342	1	46	0.0	-84.44	368.30	5.70	-78.74
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300028707385	1	49	0.0	-90.87	397.55	3.64	-87.23
C[NH+](C)CCCCC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028707419	0	53	0.0	-73.05	401.16	4.50	-68.55
CC(C)C(C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028707441	0	53	0.0	-71.29	385.87	4.74	-66.55
CCC[N@H+](C)CCC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028707443	0	53	0.0	-72.91	397.40	4.32	-68.59
CCC[N@@H+](C)CCC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028707443	1	53	0.0	-77.54	399.47	4.15	-73.39
CCC[N@H+](C)CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028707449	0	50	0.0	-73.61	377.67	3.78	-69.83
CCC[N@@H+](C)CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028707449	1	50	0.0	-71.17	376.36	3.81	-67.36
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@H+](C1)CCC2	REAL300028707479	0	52	0.0	-88.25	379.12	3.56	-84.69
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@@H+](C1)CCC2	REAL300028707479	1	52	0.0	-88.07	378.75	3.56	-84.51
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028707543	0	48	0.0	-73.56	358.33	2.89	-70.67
C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028707543	1	48	0.0	-70.69	363.00	3.27	-67.42
CC1CC2CCC(C(=O)N[C@H]3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300028707570	0	58	0.0	-73.26	426.07	5.51	-67.75
CC1CC2CCC(C(=O)N[C@H]3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300028707570	1	58	0.0	-69.01	425.35	5.75	-63.26
CCCCCC[N@H+](C)CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028707621	0	59	0.0	-74.81	442.17	6.12	-68.69
CCCCCC[N@@H+](C)CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028707621	1	59	0.0	-72.42	440.86	6.16	-66.26
CC[NH+](CC)C(C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300028707630	0	59	0.0	-66.15	417.83	5.70	-60.45
CC[NH+](CC)CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028707640	0	50	0.0	-69.61	367.44	3.45	-66.16
CCC[N@@H+]1CCCC(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028707674	0	57	0.0	-66.27	415.36	5.43	-60.84
CCC[N@H+]1CCCC(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028707674	1	57	0.0	-66.13	414.57	5.65	-60.48
CC(C)[N@@H+]1CCOC(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028707697	1	55	0.0	-76.73	402.73	3.65	-73.08
CC(C)[N@H+]1CCOC(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028707697	1	55	0.0	-67.43	400.63	3.81	-63.62
CC1CC[NH+](CC(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028707737	0	54	0.0	-71.46	398.40	4.85	-66.61
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300028707768	1	49	0.0	-77.90	395.10	3.80	-74.10
C[NH+]1CCC(OCC(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028707777	0	55	0.0	-76.29	417.17	4.53	-71.76
C[NH+](C)CC1(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028707794	0	51	0.0	-75.66	386.47	4.38	-71.28
CC1=[NH+]C=C2CCC(C(=O)N[C@H]3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300028707795	1	53	0.0	-70.90	406.24	4.95	-65.95
CC(C)[NH+]1CCC(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028707896	0	57	0.0	-79.64	416.81	5.04	-74.60
C[NH+]1CCC(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028707926	0	51	0.0	-82.27	382.48	3.85	-78.42
CC(C)[C@H](C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028707949	0	53	0.0	-72.59	387.78	4.42	-68.17
CCC(C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300028707986	0	56	0.0	-64.58	400.29	4.79	-59.79
CC[N@H+](C)CCC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028708081	0	50	0.0	-72.22	375.89	3.57	-68.65
CC[N@@H+](C)CCC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028708081	1	50	0.0	-72.12	375.89	3.56	-68.56
CC1CCC[N@@H+]1CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028708157	0	51	0.0	-67.82	383.24	4.08	-63.74
CC1CCC[N@H+]1CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028708157	1	51	0.0	-71.14	383.61	4.16	-66.98
CC1CC[N@H+](CC(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028708159	0	51	0.0	-70.14	382.06	4.01	-66.13
CC1CC[N@@H+](CC(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028708159	1	51	0.0	-70.11	382.53	4.12	-65.99
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028708160	0	57	0.0	-69.90	419.77	4.50	-65.40
CC(C)(C)[N@H+]1CCC(F)(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028708160	1	57	0.0	-70.77	420.46	4.64	-66.13
CC1=[NH+]C=C2CC(C(=O)N[C@H]3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300028708162	1	53	0.0	-76.58	406.38	4.92	-71.66
CC1(C)CC[N@H+](CC(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028708165	0	54	0.0	-70.15	402.24	4.67	-65.48
CC1(C)CC[N@@H+](CC(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028708165	1	54	0.0	-73.45	403.09	4.44	-69.01
C[N@H+](CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300028708166	0	56	0.0	-70.96	404.61	4.82	-66.14
C[N@@H+](CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300028708166	1	56	0.0	-70.89	405.84	4.89	-66.00
CC[C@@H](C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028708177	0	50	0.0	-71.52	371.10	3.82	-67.70
CC(COCC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300028708185	0	58	0.0	-68.21	435.59	5.18	-63.03
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[NH+](CC2CC2)CC1	REAL300028708273	0	58	0.0	-80.94	429.50	5.94	-75.00
C[NH+]1CCC(O)(CC(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028708423	0	55	0.0	-71.70	406.33	2.67	-69.03
COCC[N@@H+]1CCCC1CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028708430	0	58	0.0	-76.01	433.05	3.83	-72.18
COCC[N@H+]1CCCC1CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028708430	1	58	0.0	-71.56	427.55	3.41	-68.15
C[NH+](C)CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028708438	0	44	0.0	-74.02	338.44	2.37	-71.65
O=C(C[NH+]1CCC(CO)CC1)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028708443	1	55	0.0	-73.95	409.23	1.54	-72.41
O=C(C[NH+]1CCCCCC1)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028708447	0	54	0.0	-72.72	388.86	4.24	-68.48
CN1C=C[N+](CC(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300028708452	0	46	0.0	-67.79	368.45	5.94	-61.85
C[N@@H+]1CCCC(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028708463	0	51	0.0	-65.62	376.20	4.02	-61.60
C[N@H+]1CCCC(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028708463	1	51	0.0	-65.87	376.78	4.21	-61.66
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@@H+]1C1CC1	REAL300028708469	0	52	0.0	-68.82	394.63	4.60	-64.22
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@H+]1C1CC1	REAL300028708469	1	52	0.0	-67.41	381.83	4.00	-63.41
CC(C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300028708506	1	48	0.0	-71.34	365.66	3.23	-68.11
CCC(CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300028708515	0	56	0.0	-83.58	412.91	4.94	-78.64
C[NH+](C)CC(C)(C)C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028708524	0	53	0.0	-71.23	381.72	4.00	-67.23
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC(C1)C[N@@H+]2C1CC1	REAL300028708547	0	53	0.0	-66.94	395.33	5.12	-61.82
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC(C1)C[N@H+]2C1CC1	REAL300028708547	1	53	0.0	-68.84	389.78	5.39	-63.45
O=C(C[NH+]1CCC(O)CC1)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028708570	1	52	0.0	-74.97	388.64	0.89	-74.08
C[N@H+](CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028708572	0	48	0.0	-67.97	366.48	3.84	-64.13
C[N@@H+](CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028708572	1	48	0.0	-68.85	366.63	3.84	-65.01
CC(C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300028708573	1	56	0.0	-74.78	411.42	2.28	-72.50
C[NH+]1CC(CC(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028708602	0	48	0.0	-76.21	369.74	3.19	-73.02
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+]1C1CCCC1	REAL300028708606	0	55	0.0	-69.63	401.13	4.68	-64.95
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+]1C1CCCC1	REAL300028708606	1	55	0.0	-70.26	407.70	5.19	-65.07
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028708614	0	54	0.0	-68.89	380.95	3.54	-65.35
CC(C)(C)[N@H+]1CCC1C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028708614	1	54	0.0	-73.74	376.84	3.71	-70.03
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300028708625	0	54	0.0	-80.72	415.21	2.98	-77.74
C[C@@H](C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028708628	0	47	0.0	-72.71	356.18	2.63	-70.08
CCC1CCC[N@H+](CC(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028708680	0	57	0.0	-74.32	418.86	5.31	-69.01
CCC1CCC[N@@H+](CC(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028708680	1	57	0.0	-71.19	411.35	4.87	-66.32
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300028708689	0	52	0.0	-80.44	403.76	3.85	-76.59
C[NH+]1C2CCC1CC(CC(=O)N[C@H]1CCCCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028708704	0	58	0.0	-70.49	414.63	5.30	-65.19
[NH2+]=C1SC=CN1CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028708750	0	44	0.0	-65.89	364.28	2.61	-63.28
C[N@H+](CCO)CCC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028708763	0	51	0.0	-71.67	386.25	0.35	-71.32
C[N@@H+](CCO)CCC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028708763	1	51	0.0	-71.96	386.20	0.34	-71.62
C[C@@H](C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028708764	0	47	0.0	-72.71	356.18	2.63	-70.08
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028708768	0	51	0.0	-68.25	368.19	3.80	-64.45
C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028708768	1	51	0.0	-70.35	380.35	3.98	-66.37
CC1CN2CC[N@@H+]1CC2C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028708778	0	54	0.0	-81.67	391.33	1.33	-80.34
CC1CN2CC[N@H+]1CC2C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028708778	1	54	0.0	-77.13	386.97	1.23	-75.90
COC1C[N@@H+]2CCCC2(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028708827	0	56	0.0	-74.21	416.65	3.09	-71.12
COC1C[N@H+]2CCCC2(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028708827	1	56	0.0	-80.53	414.61	3.27	-77.26
O=C(CC1=CC2=C[NH+]=CN2C=C1)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028708843	0	49	0.0	-69.81	391.62	6.61	-63.20
C[N@H+](CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300028708876	0	52	0.0	-75.48	396.61	4.65	-70.83
C[N@@H+](CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300028708876	1	52	0.0	-77.39	396.47	4.66	-72.73
O=C(C[NH+]1CCC1)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028708877	1	45	0.0	-74.49	347.97	2.61	-71.88
C[NH+](C)CC1=CC(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC=N1	REAL300028708915	1	53	0.0	-70.62	411.30	4.44	-66.18
C[N@@H+]1CCC(=CC(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028708917	0	49	0.0	-79.39	376.75	3.74	-75.65
C[N@H+]1CCC(=CC(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028708917	1	49	0.0	-74.46	375.11	3.99	-70.47
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+](C2CCCCC2)C1	REAL300028708944	0	58	0.0	-72.72	429.11	5.76	-66.96
C[NH+](C)CCOCC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028708962	0	51	0.0	-69.97	393.00	3.47	-66.50
CCCCC[N@H+](C)CCC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028708969	0	59	0.0	-73.89	440.39	5.88	-68.01
CCCCC[N@@H+](C)CCC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028708969	1	59	0.0	-73.81	440.39	5.88	-67.93
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028708979	0	55	0.0	-71.83	416.14	4.36	-67.47
C=CCC(C)(C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028708991	0	54	0.0	-71.47	387.89	4.06	-67.41
C[S+](C)CCC(O)C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028708996	0	50	0.0	-76.37	402.98	2.11	-74.26
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028709031	0	52	0.0	-81.32	386.61	0.80	-80.52
CN1CC[N@H+](C)CC(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028709046	0	56	0.0	-68.05	408.26	2.18	-65.87
CN1CC[N@@H+](C)CC(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028709046	1	56	0.0	-68.05	408.26	2.18	-65.87
CC(C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300028709047	0	55	0.0	-73.70	409.43	1.28	-72.42
O=C(CN1CCC(CO)CC1)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028709062	0	55	0.0	-73.95	409.23	1.54	-72.41
O=C(C[NH+]1CCC(CO)CC1)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028709062	1	55	0.0	-73.95	409.23	1.54	-72.41
C[N@@H+]1CCCC(O)(CC(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028709072	0	55	0.0	-68.54	408.93	2.81	-65.73
C[N@H+]1CCCC(O)(CC(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028709072	1	55	0.0	-68.54	408.93	2.81	-65.73
CC1CN(CC(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028709076	0	48	0.0	-71.03	368.46	3.52	-67.51
CC1C[NH+](CC(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028709076	1	48	0.0	-71.03	368.46	3.52	-67.51
CN(CCO)CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028709106	0	48	0.0	-74.78	366.52	-0.21	-74.99
C[N@H+](CCO)CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028709106	1	48	0.0	-70.92	365.08	-0.18	-71.10
C[N@@H+](CCO)CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028709106	1	48	0.0	-70.92	365.08	-0.18	-71.10
C[NH+]1C2CCC1CC(=CC(=O)N[C@H]1CCCCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028709129	0	56	0.0	-70.87	409.04	5.33	-65.54
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[N@@H+]2CCN1CCC2	REAL300028709134	0	54	0.0	-77.97	385.25	1.72	-76.25
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[N@H+]2CCN1CCC2	REAL300028709134	1	54	0.0	-77.97	385.25	1.72	-76.25
CC[N@@H+]1CCCC(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028709143	0	54	0.0	-65.97	393.86	4.67	-61.30
CC[N@H+]1CCCC(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028709143	1	54	0.0	-65.97	393.86	4.67	-61.30
CC(CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300028709145	0	53	0.0	-76.06	393.82	4.42	-71.64
CC[N@H+](C)CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028709161	0	47	0.0	-73.42	356.17	3.03	-70.39
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@@H+]1CCCC2	REAL300028709190	0	55	0.0	-65.55	389.55	5.08	-60.47
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@H+]1CCCC2	REAL300028709190	1	55	0.0	-65.55	389.55	5.08	-60.47
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@@H+]1CC=CC2	REAL300028709200	0	53	0.0	-74.80	385.01	4.89	-69.91
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@H+]1CC=CC2	REAL300028709200	1	53	0.0	-74.80	385.01	4.89	-69.91
CC[N@H+](CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028709228	0	51	0.0	-73.11	379.38	4.14	-68.97
CC[NH+](CC)CCC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028709253	0	53	0.0	-71.45	389.50	3.99	-67.46
CC1(C)CN(CC(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028709287	0	51	0.0	-70.89	387.57	3.98	-66.91
CC1(C)C[NH+](CC(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028709287	1	51	0.0	-70.89	387.57	3.98	-66.91
O=C(CCCC[NH+]1CCCCC1)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028709293	0	60	0.0	-77.93	444.88	6.21	-71.72
CC1(O)CC[N@H+](CC(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028709328	0	52	0.0	-72.09	393.83	0.62	-71.47
C[NH+](C)CC=CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028709341	0	48	0.0	-80.98	375.08	3.46	-77.52
CC(OCC[NH+](C)C)C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028709368	0	54	0.0	-70.98	410.72	4.17	-66.81
C[NH+](C)CCOCCC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028709379	0	54	0.0	-71.44	412.68	3.15	-68.29
COCCN(C)CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028709380	0	51	0.0	-70.61	387.60	2.24	-68.37
COCC[N@H+](C)CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028709380	1	51	0.0	-72.22	387.47	2.24	-69.98
COCC[N@@H+](C)CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028709380	1	51	0.0	-72.22	387.47	2.24	-69.98
COCCCC[N@H+](C)CCC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028709412	0	60	0.0	-76.66	452.56	4.17	-72.49
COCCCC[N@@H+](C)CCC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028709412	1	60	0.0	-76.66	452.56	4.17	-72.49
C[NH+](C)C1(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300028709438	0	54	0.0	-80.70	389.63	4.83	-75.87
CC(CCC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028709441	0	53	0.0	-75.43	395.37	4.12	-71.31
CCN1CCC1C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028709451	0	48	0.0	-68.97	360.49	3.02	-65.95
CC[N@@H+]1CCC1C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028709451	1	48	0.0	-69.33	361.81	3.08	-66.25
CC[N@H+]1CCC1C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028709451	1	48	0.0	-69.33	361.81	3.08	-66.25
CC(C)[N@@H+]1CCCC(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028709464	0	57	0.0	-68.75	416.04	5.20	-63.55
CC(C)[N@H+]1CCCC(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028709464	1	57	0.0	-68.75	416.04	5.20	-63.55
O=C(C[N@H+]1CCCC1CO)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028709479	0	52	0.0	-69.93	384.24	0.94	-68.99
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@@H+]2C1	REAL300028709506	0	55	0.0	-70.43	404.65	5.11	-65.32
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@H+]2C1	REAL300028709506	1	55	0.0	-70.43	404.65	5.11	-65.32
C[NH+]1CCC(C)(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028709515	0	54	0.0	-73.77	395.10	4.25	-69.52
C=CCC(C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028709558	0	51	0.0	-67.67	380.53	3.94	-63.73
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028709576	0	54	0.0	-67.23	402.82	4.64	-62.59
C[NH+](C)CCCCCC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028709581	0	56	0.0	-72.43	422.66	5.29	-67.14
CC1C[N@@H+]2CCN1C(C(=O)N[C@H]1CCCCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028709629	0	54	0.0	-73.81	388.68	1.41	-72.40
CCCC(C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028709630	0	53	0.0	-71.16	389.88	4.11	-67.05
C[NH+](C)C(C)(C)C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028709635	0	50	0.0	-72.93	363.17	3.49	-69.44
CC[NH+](CC)CCSCC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028709676	0	57	0.0	-81.21	440.43	5.65	-75.56
C[N@@H+]1CCCCC1C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028709688	0	51	0.0	-70.40	380.40	3.95	-66.45
C[N@H+]1CC=C(CC(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028709740	0	52	0.0	-68.79	396.27	4.73	-64.06
C[N@@H+]1CC=C(CC(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028709740	1	52	0.0	-68.79	396.27	4.73	-64.06
O=C(CC1([NH+]2CCCC2)CC1)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028709750	0	55	0.0	-67.92	403.30	5.17	-62.75
C[N@@H+]1CCCC(C(C)(C)C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028709809	0	60	0.0	-72.89	427.19	5.53	-67.36
C[N@H+]1CCCC(C(C)(C)C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028709809	1	60	0.0	-78.53	427.85	5.33	-73.20
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028709814	1	51	0.0	-87.52	402.45	4.01	-83.51
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300028709820	0	53	0.0	-75.51	411.08	4.43	-71.08
O=C(C=CC[NH+]1CCCC1)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028709838	0	52	0.0	-73.80	398.46	4.76	-69.04
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[NH+](C2CC2)CC1	REAL300028709865	0	55	0.0	-79.55	411.75	5.25	-74.30
C[NH+](C)C1(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028709890	0	48	0.0	-81.41	362.43	3.27	-78.14
O=C(CC[NH+]1CCCC1)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028709894	0	51	0.0	-71.68	384.13	4.09	-67.59
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+]2CCN1CC2	REAL300028709941	0	51	0.0	-85.09	374.78	0.84	-84.25
C[N@@H+]1CC2CC1(C(=O)N[C@H]1CCCCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028709952	0	49	0.0	-81.40	369.90	3.39	-78.01
C[N@H+]1CC2CC1(C(=O)N[C@H]1CCCCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028709952	1	49	0.0	-81.17	368.78	3.27	-77.90
O=C(C[N@@H+]1CC2CCC1C2)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028709968	0	52	0.0	-68.79	382.54	4.45	-64.34
O=C(C[N@H+]1CC2CCC1C2)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028709968	1	52	0.0	-69.03	383.85	4.53	-64.50
CC(C)[NH+]1CCC(CC(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028709980	0	60	0.0	-68.42	433.32	5.92	-62.50
O=C(C=C1C[NH+]2CCC1CC2)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028710031	0	53	0.0	-67.50	394.34	4.61	-62.89
O=C(C[N@@H+]1CC2C=CC1C2)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028710043	1	50	0.0	-72.30	377.75	4.36	-67.94
O=C(C[N@H+]1CC2C=CC1C2)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028710043	1	50	0.0	-67.86	376.29	4.29	-63.57
CC[NH+]1CCN(CC(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028710082	0	56	0.0	-70.73	413.45	2.58	-68.15
CC(C[NH+](C)C)C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028710108	0	50	0.0	-76.63	376.14	3.47	-73.16
C[N@@H+]1CCCCC1CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028710210	0	54	0.0	-65.66	389.65	4.29	-61.37
C[N@H+]1CCCCC1CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028710210	1	54	0.0	-73.42	395.15	4.56	-68.86
CC1=C2C=C(C(=O)N[C@H]3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300028710233	1	49	0.0	-82.91	390.21	6.27	-76.64
CC(C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300028710234	1	51	0.0	-68.95	383.81	4.10	-64.85
CC1CC[N@@H+]1CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028710238	1	48	0.0	-68.60	361.53	3.17	-65.43
CC1CC[N@H+]1CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028710238	1	48	0.0	-70.05	367.13	3.46	-66.59
C[NH+](C)CC(O)CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028710243	0	51	0.0	-75.59	389.59	1.43	-74.16
CC1C[N@H+](C)CC(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028710281	1	52	0.0	-80.14	389.92	3.40	-76.74
CC1C[N@@H+](C)CC(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028710281	1	52	0.0	-77.25	388.56	3.43	-73.82
O=C(CC[NH+]1CCC(O)CC1)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028710293	0	55	0.0	-78.70	412.97	1.28	-77.42
CCC[N@@H+]1CCCCC1C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028710296	0	57	0.0	-67.73	416.96	5.34	-62.39
CCC[N@H+]1CCCCC1C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028710296	1	57	0.0	-68.69	407.58	5.18	-63.51
CC[NH+]1CCN(CCC(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028710301	0	59	0.0	-80.25	435.32	2.71	-77.54
CCN1CC[NH+](CCC(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028710301	1	59	0.0	-73.04	433.24	2.89	-70.15
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300028710304	0	58	0.0	-77.54	408.27	4.95	-72.59
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300028710304	1	58	0.0	-65.96	412.64	5.68	-60.28
CC(C)C[NH+]1CCC(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028710352	0	60	0.0	-81.18	439.52	6.07	-75.11
C[NH+](C)C1CCN(CC(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028710378	0	59	0.0	-71.57	429.14	3.07	-68.50
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028710400	0	51	0.0	-76.60	387.43	3.94	-72.66
CC(CC[NH+](C)C)C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028710408	0	53	0.0	-71.78	397.24	4.28	-67.50
C[N@H+](CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300028710442	0	55	0.0	-66.92	407.76	1.79	-65.13
C[N@@H+](CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300028710442	1	55	0.0	-68.84	408.02	1.80	-67.04
C#CC[N@H+]1CCCCC1C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028710451	1	53	0.0	-69.22	393.60	4.99	-64.23
C#CC[N@@H+]1CCCCC1C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028710451	1	53	0.0	-68.42	404.47	5.20	-63.22
C[NH+]1CCN(CC(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028710457	1	53	0.0	-71.84	394.83	1.88	-69.96
CC[NH+]1CCN(CC(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028710466	0	56	0.0	-70.73	413.45	2.58	-68.15
NC(=[NH2+])SCC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028710498	0	42	0.0	-78.60	345.80	-0.85	-79.45
CC[N@@H+]1CCOCC1CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028710546	0	55	0.0	-80.76	406.68	2.81	-77.95
C[NH+](C)CCC1(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300028710565	0	60	0.0	-82.27	440.55	5.99	-76.28
CC1CCCC(C)[NH+]1CCC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028710567	0	60	0.0	-67.82	429.22	5.44	-62.38
C[NH+](C)C1CCC(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028710570	0	57	0.0	-69.73	410.74	5.06	-64.67
C[NH+](C)CCC1(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028710571	0	54	0.0	-67.55	412.51	4.91	-62.64
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028710575	0	57	0.0	-63.85	409.51	5.11	-58.74
C[N@@H+]1CC=CCC1CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028710576	0	52	0.0	-65.54	384.11	4.20	-61.34
C[N@H+]1CC=CCC1CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028710576	1	52	0.0	-65.54	384.11	4.20	-61.34
C[C@@H](OCC[NH+](C)C)C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028710606	0	54	0.0	-72.00	413.52	3.96	-68.04
C[NH+]1C2CCC1CC(C(=O)N[C@H]1CCCCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028710640	0	55	0.0	-70.94	378.39	4.82	-66.12
CC(C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300028710793	1	52	0.0	-71.01	394.51	4.38	-66.63
CCC1C[NH+](CC(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028710796	1	51	0.0	-74.79	390.51	4.06	-70.73
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+](C2CCOCC2)C1	REAL300028710798	0	56	0.0	-81.05	421.28	3.17	-77.88
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1([NH+]2CCCC2)CCC1	REAL300028710800	0	55	0.0	-77.58	397.12	4.58	-73.00
C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028710811	1	48	0.0	-74.23	358.38	2.87	-71.36
O=C(CC[N@@H+]1CCC(F)C1)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028710821	1	51	0.0	-80.87	392.51	4.01	-76.86
COC1C[N@@H+](C)C(C)(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028710830	1	55	0.0	-71.62	405.48	3.06	-68.56
O=C(CC[NH+]1CCCCCC1)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028710843	0	57	0.0	-73.65	409.82	4.99	-68.66
O=C(C[NH+]1CCCCC1)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028710845	0	51	0.0	-70.60	377.55	4.24	-66.36
CC1C(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028710855	0	51	0.0	-77.65	375.30	3.34	-74.31
CC1C(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028710855	1	51	0.0	-70.81	381.39	3.97	-66.84
C[N@@H+]1CCCCC1CCC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028710858	0	57	0.0	-73.82	418.91	5.12	-68.70
C[N@H+]1CCCCC1CCC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028710858	1	57	0.0	-74.40	411.13	5.14	-69.26
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+]2CCOCC12	REAL300028710894	0	53	0.0	-74.26	396.73	2.72	-71.54
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+]2CCOCC12	REAL300028710894	1	53	0.0	-71.38	393.55	2.75	-68.63
CC1=[NH+]C=C2C=CC(C(=O)N[C@H]3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300028710902	0	49	0.0	-67.95	388.72	5.71	-62.24
C[N@@H+]1CCOCC1CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028710922	1	52	0.0	-83.37	388.11	2.06	-81.31
C[N@H+]1CCOCC1CC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028710922	1	52	0.0	-66.25	380.26	2.08	-64.17
CC1=C(C)[NH+]=C(CCC(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300028710933	1	52	0.0	-66.33	406.03	3.65	-62.68
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300028710948	1	55	0.0	-78.78	429.40	6.21	-72.57
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+]1CC1=CC=CC=C1	REAL300028710948	1	55	0.0	-74.05	428.75	6.41	-67.64
CC(C)C[N@@H+]1CCCC(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028710952	0	60	0.0	-69.58	436.95	6.07	-63.51
CC(C)C[N@H+]1CCCC(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028710952	1	60	0.0	-74.02	439.06	5.89	-68.13
C[N@@H+]1CCCC1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028711119	0	48	0.0	-71.41	359.02	3.04	-68.37
C[N@H+]1CCCC1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028711119	1	48	0.0	-70.88	358.95	3.02	-67.86
C[N@@H+]1CCOC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028711145	1	49	0.0	-71.44	365.89	2.53	-68.91
C[N@H+]1CCOC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028711145	1	49	0.0	-76.05	373.17	2.72	-73.33
CC1=[NH+]C=CN1CCCC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028711316	1	52	0.0	-70.53	409.83	5.43	-65.10
O=C(CCCC[NH+]1CCOCC1)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028711320	1	58	0.0	-77.71	437.09	4.13	-73.58
C[NH+](C)CC1=CC=C(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300028711326	0	54	0.0	-66.74	418.98	5.71	-61.03
O=C(CC[NH+]1CCOCC1)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028711327	1	52	0.0	-77.40	394.12	2.55	-74.85
CCC[NH+](CCC)CCCC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028711352	0	62	0.0	-74.28	456.91	6.46	-67.82
O=C(N[C@H]1CCCCN(C(=O)C23CCC[NH+]2CCC3)C1)C1=CC(=O)[N-]O1	REAL300028711369	0	52	0.0	-69.07	375.77	3.72	-65.35
O=C(N[C@H]1CCCCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1)C1=CC(=O)[N-]O1	REAL300028711387	1	46	0.0	-76.94	374.30	5.87	-71.07
C[NH+](C)C1CCCC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028711461	0	57	0.0	-68.83	418.35	5.20	-63.63
C[N@@H+]1CCC(CC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028711466	0	51	0.0	-78.52	387.46	4.11	-74.41
C[N@H+]1CCC(CC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028711466	1	51	0.0	-75.91	385.10	4.12	-71.79
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028711480	0	50	0.0	-77.50	392.50	2.24	-75.26
CCC(C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028711486	0	50	0.0	-70.39	366.73	3.30	-67.09
O=C(N[C@H]1CCCCN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)C1)C1=CC(=O)[N-]O1	REAL300028711495	1	49	0.0	-84.53	396.68	4.36	-80.17
CC1CC2CCC(C(=O)N3CCCC[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300028711545	0	58	0.0	-71.50	426.85	5.60	-65.90
CC1CC2CCC(C(=O)N3CCCC[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300028711545	1	58	0.0	-73.42	425.33	5.58	-67.84
C[NH+](C)CCCCC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028711578	0	53	0.0	-75.76	404.19	4.68	-71.08
CC(C)C(C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028711602	0	53	0.0	-72.76	381.13	3.76	-69.00
CCC[N@H+](C)CCC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028711604	0	53	0.0	-75.55	400.45	4.48	-71.07
CCC[N@@H+](C)CCC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028711604	1	53	0.0	-75.37	400.41	4.50	-70.87
CCC[N@H+](C)CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028711610	0	50	0.0	-71.93	380.12	3.86	-68.07
CCC[N@@H+](C)CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028711610	1	50	0.0	-71.86	378.05	3.91	-67.95
O=C(N[C@H]1CCCCN(C(=O)C23CC[N@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300028711640	0	52	0.0	-75.86	373.49	3.33	-72.53
O=C(N[C@H]1CCCCN(C(=O)C23CC[N@@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300028711640	1	52	0.0	-68.93	374.45	3.38	-65.55
CCCCCC[N@H+](C)CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028711689	0	59	0.0	-73.24	444.62	6.20	-67.04
CCCCCC[N@@H+](C)CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028711689	1	59	0.0	-73.20	442.55	6.25	-66.95
CC[NH+](CC)C(C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300028711698	0	59	0.0	-73.21	410.48	5.50	-67.71
CC1CC[NH+](CC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028711740	0	54	0.0	-72.44	401.45	4.97	-67.47
O=C(N[C@H]1CCCCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1)C1=CC(=O)[N-]O1	REAL300028711771	1	49	0.0	-78.02	392.32	3.47	-74.55
C[NH+]1CCC(OCC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028711780	0	55	0.0	-83.54	420.84	4.60	-78.94
O=C(N[C@H]1CCCCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300028711850	0	55	0.0	-72.83	400.76	4.89	-67.94
O=C(N[C@H]1CCCCN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300028711850	1	55	0.0	-68.45	406.68	5.21	-63.24
C[NH+](C)CC1(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028711864	0	51	0.0	-70.66	387.62	3.99	-66.67
CC1=[NH+]C=C2CCC(C(=O)N3CCCC[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300028711865	1	53	0.0	-69.44	404.73	4.97	-64.47
CC(C)[NH+]1CCC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028711877	0	57	0.0	-76.11	416.32	5.11	-71.00
CC[N@H+](C)CCC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028711916	0	50	0.0	-74.78	378.92	3.76	-71.02
CC[N@@H+](C)CCC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028711916	1	50	0.0	-74.63	378.92	3.76	-70.87
CC(C)(C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300028711949	0	57	0.0	-51.41	387.52	4.76	-46.65
O=C(N[C@H]1CCCCN(C(=O)C2C[NH+]3CCC2CC3)C1)C1=CC(=O)[N-]O1	REAL300028711968	0	52	0.0	-70.01	376.86	4.01	-66.00
C[NH+]1CCC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028712063	0	51	0.0	-78.37	382.01	3.92	-74.45
CC(C)[C@H](C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028712086	0	53	0.0	-72.76	382.17	3.79	-68.97
O=C(N[C@H]1CCCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1)C1=CC(=O)[N-]O1	REAL300028712180	0	58	0.0	-78.76	431.01	6.14	-72.62
CC[NH+](CC)CC(F)C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028712227	0	53	0.0	-71.28	401.37	4.45	-66.83
C[NH+](C)CC1=C(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)SC=C1	REAL300028712228	0	51	0.0	-64.64	409.02	4.98	-59.66
CC(C)C[N@@H+]1CCC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028712274	0	57	0.0	-67.64	421.43	5.36	-62.28
CC(C)C[N@H+]1CCC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028712274	1	57	0.0	-67.72	423.53	5.41	-62.31
C[NH+](C)C1(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300028712278	0	51	0.0	-78.54	364.26	3.33	-75.21
CCC(C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300028712315	0	56	0.0	-65.82	403.03	4.68	-61.14
CC1CCC[N@@H+]1CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028712346	0	51	0.0	-69.45	386.41	4.26	-65.19
CC1CCC[N@H+]1CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028712346	1	51	0.0	-69.54	385.58	4.24	-65.30
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028712434	1	55	0.0	-67.40	424.28	5.69	-61.71
CC(C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300028712441	0	57	0.0	-68.73	407.48	4.79	-63.94
CC(C)[N@@H+]1CCCCC1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028712443	0	57	0.0	-62.23	403.33	4.68	-57.55
CC(C)[N@H+]1CCCCC1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028712443	1	57	0.0	-66.08	410.43	4.91	-61.17
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028712477	0	54	0.0	-69.40	377.70	3.77	-65.63
CC(C)[N@H+]1CCCC1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028712477	1	54	0.0	-68.52	378.85	3.79	-64.73
C[NH+](C)C(CN1C=CC=N1)C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028712483	1	54	0.0	-65.44	409.20	3.54	-61.90
CC(C)[N@@H+]1CCCC1CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028712488	0	57	0.0	-72.95	420.32	5.18	-67.77
CC(C)[N@H+]1CCCC1CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028712488	1	57	0.0	-64.49	409.86	4.66	-59.83
O=C(N[C@H]1CCCCN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300028712489	0	58	0.0	-70.93	419.86	5.79	-65.14
O=C(N[C@H]1CCCCN(C(=O)C2CCC[N@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300028712489	1	58	0.0	-70.39	422.69	5.68	-64.71
CC(C)[C@@H](C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028712510	0	53	0.0	-74.96	381.02	3.79	-71.17
CC1CC[N@H+](CC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028712544	0	51	0.0	-71.69	386.18	4.21	-67.48
CC1CC[N@@H+](CC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028712544	1	51	0.0	-71.09	384.79	4.19	-66.90
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028712545	0	57	0.0	-67.64	411.61	4.53	-63.11
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028712545	1	57	0.0	-68.11	414.39	4.49	-63.62
CC1=[NH+]C=C2CC(C(=O)N3CCCC[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300028712547	1	53	0.0	-72.18	407.59	5.05	-67.13
CC1(C)CC[N@H+](CC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028712550	0	54	0.0	-70.81	403.75	4.74	-66.07
CC1(C)CC[N@@H+](CC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028712550	1	54	0.0	-71.62	406.42	4.71	-66.91
C[N@H+](CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300028712551	0	56	0.0	-71.39	408.96	5.06	-66.33
C[N@@H+](CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300028712551	1	56	0.0	-71.96	410.64	5.00	-66.96
CC[C@@H](C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028712562	0	50	0.0	-70.78	370.37	3.56	-67.22
CC(COCC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300028712570	0	58	0.0	-72.57	439.61	5.30	-67.27
CN(CCC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300028712732	0	53	0.0	-73.46	415.69	4.19	-69.27
CC1=[NH+]C=CN1CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028712858	1	46	0.0	-68.20	370.38	4.06	-64.14
CC(C[NH+]1CCOCC1)C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028712860	0	55	0.0	-76.37	406.19	2.90	-73.47
O=C(CCC[NH+]1CCCCC1)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028712882	0	57	0.0	-75.41	426.43	5.74	-69.67
C[NH+](C)CC1=CC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300028712903	1	50	0.0	-78.91	393.82	3.90	-75.01
CC1=C(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300028712905	0	49	0.0	-73.50	391.39	6.24	-67.26
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028712954	1	52	0.0	-67.46	406.70	5.19	-62.27
O=C(N[C@H]1CCCCN(C(=O)C2CCCC3CCC[N@@H+]32)C1)C1=CC(=O)[N-]O1	REAL300028713009	0	55	0.0	-73.93	394.28	4.86	-69.07
O=C(N[C@H]1CCCCN(C(=O)C2CCCC3CCC[N@H+]32)C1)C1=CC(=O)[N-]O1	REAL300028713009	1	55	0.0	-61.87	402.99	5.13	-56.74
CC[N@@H+]1CCOC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028713046	1	52	0.0	-81.23	390.86	3.39	-77.84
CC[N@H+]1CCOC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028713046	1	52	0.0	-74.29	390.97	3.36	-70.93
O=C(N[C@H]1CCCCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300028713124	0	46	0.0	-73.97	374.13	5.82	-68.15
CC1=C[NH+]=CN1CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028713129	1	46	0.0	-71.32	370.71	4.79	-66.53
C[NH+](C)CCN1C=C(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300028713134	0	54	0.0	-79.75	417.33	3.53	-76.22
C[NH+](C)CCN1C=CC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300028713149	0	54	0.0	-86.76	421.67	4.42	-82.34
C[C@@H]1[C@H](C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028713156	0	51	0.0	-73.60	369.05	3.28	-70.32
C[C@@H]1[C@H](C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028713156	1	51	0.0	-75.18	372.97	3.44	-71.74
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028713159	1	55	0.0	-67.69	424.77	5.74	-61.95
CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028713162	0	54	0.0	-77.24	393.16	3.99	-73.25
CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028713162	1	54	0.0	-68.98	401.75	4.44	-64.54
CC1CCC(C)[NH+]1CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028713183	0	54	0.0	-69.81	386.35	4.07	-65.74
O=C(CCC[NH+]1CCCC1)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028713190	0	54	0.0	-75.04	409.74	4.98	-70.06
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300028713191	0	54	0.0	-75.29	411.87	5.54	-69.75
C#CC[NH+]1CCC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028713199	0	53	0.0	-71.87	408.49	5.18	-66.69
O=C(CC[NH+]1CCCCC1)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028713200	0	54	0.0	-73.78	402.83	4.97	-68.81
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028713205	0	54	0.0	-67.98	405.73	5.76	-62.22
CC[N@@H+]1CCCCC1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028713214	0	54	0.0	-68.87	387.13	4.18	-64.69
CC[N@H+]1CCCCC1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028713214	1	54	0.0	-66.76	397.59	4.63	-62.13
CC(C)C(C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300028713215	0	60	0.0	-69.60	419.76	5.50	-64.10
C[NH+](C)C(C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300028713218	1	54	0.0	-68.21	409.82	5.70	-62.51
O=C(CN1C=[NH+]C2=C1CCCC2)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028713226	1	53	0.0	-71.27	412.52	6.52	-64.75
C[NH+](C)CC1(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CCCCC1	REAL300028713271	0	60	0.0	-85.10	416.25	5.21	-79.89
C[N@H+](CCC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300028713277	0	60	0.0	-75.76	437.23	6.14	-69.62
C[N@@H+](CCC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300028713277	1	60	0.0	-75.56	437.24	6.13	-69.43
C[NH+](C)C1(CC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300028713280	0	57	0.0	-78.63	404.33	4.93	-73.70
C[N@H+](CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300028713517	0	51	0.0	-69.39	387.11	4.44	-64.95
C[N@@H+](CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300028713517	1	51	0.0	-69.77	387.01	4.42	-65.35
CC(C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300028713550	0	57	0.0	-66.99	390.58	4.00	-62.99
O=C(CCCC[NH+]1CCCC1)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028713569	0	57	0.0	-74.36	429.68	5.84	-68.52
C[N@H+](CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300028713572	1	54	0.0	-76.92	417.55	6.05	-70.87
C[N@@H+](CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300028713572	1	54	0.0	-76.69	415.53	6.08	-70.61
C[NH+]1CCC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028713589	0	51	0.0	-78.37	382.01	3.92	-74.45
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028713660	0	48	0.0	-71.52	359.04	3.03	-68.49
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028713660	1	48	0.0	-65.39	365.13	3.41	-61.98
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028713685	1	50	0.0	-68.93	385.57	4.25	-64.68
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028713685	1	50	0.0	-71.67	392.02	4.62	-67.05
C[N@@H+]1CCCC1CCC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028713695	0	54	0.0	-72.09	400.67	4.55	-67.54
C[N@H+]1CCCC1CCC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028713695	1	54	0.0	-80.21	404.41	4.85	-75.36
O=C(N[C@H]1CCCCN(C(=O)C23CCC[NH+](CCC2)C3)C1)C1=CC(=O)[N-]O1	REAL300028713708	0	55	0.0	-74.21	386.95	4.06	-70.15
O=C(N[C@H]1CCCCN(C(=O)C2CCC3CCCC[N@@H+]32)C1)C1=CC(=O)[N-]O1	REAL300028713716	0	55	0.0	-68.17	405.16	5.23	-62.94
O=C(N[C@H]1CCCCN(C(=O)C2CCC3CCCC[N@H+]32)C1)C1=CC(=O)[N-]O1	REAL300028713716	1	55	0.0	-69.77	407.16	5.20	-64.57
CCC[N@@H+]1CCCC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028713813	0	57	0.0	-67.57	422.26	5.35	-62.22
CCC[N@H+]1CCCC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028713813	1	57	0.0	-68.10	420.86	5.32	-62.78
CC(C)[N@@H+]1CCOC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028713836	1	55	0.0	-81.30	409.13	3.88	-77.42
CC(C)[N@H+]1CCOC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028713836	1	55	0.0	-69.16	394.11	3.46	-65.70
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028713855	0	58	0.0	-67.47	409.45	2.94	-64.53
C[N@@H+]1CCCCC1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028713875	0	51	0.0	-70.11	378.10	3.94	-66.17
C[N@H+]1CCCCC1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028713875	1	51	0.0	-69.75	369.02	3.48	-66.27
CC(C)C[N@@H+]1CCCC1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028713907	0	57	0.0	-72.38	412.22	4.72	-67.66
CC(C)C[N@H+]1CCCC1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028713907	1	57	0.0	-64.58	423.48	5.53	-59.05
O=C(C[NH+]1CCC(CO)CC1)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028713928	0	55	0.0	-75.15	412.22	1.65	-73.50
C[NH+]1C2CCC1CC(=CC(=O)N1CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028713966	0	56	0.0	-71.56	413.22	5.48	-66.08
CC1C(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028713987	0	51	0.0	-81.03	376.40	3.68	-77.35
CC1C(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028713987	1	51	0.0	-72.14	377.96	3.73	-68.41
C[N@@H+]1CCCCC1CCC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028713991	0	57	0.0	-76.89	412.74	5.26	-71.63
C[N@H+]1CCCCC1CCC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028713991	1	57	0.0	-78.10	412.76	5.28	-72.82
NC1=[NH+]C2=C(C=C1C(=O)N1CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C1)CCC2	REAL300028714032	1	51	0.0	-63.79	397.06	3.32	-60.47
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028714117	0	54	0.0	-70.32	400.42	4.08	-66.24
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028714117	1	54	0.0	-69.50	381.10	3.42	-66.08
O=C(N[C@H]1CCCCN(C(=O)C2CCN(C3=CC=[NH+]C=C3)C2)C1)C1=CC(=O)[N-]O1	REAL300028714137	0	54	0.0	-73.69	412.94	2.86	-70.83
C[C@@H](C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028714142	0	47	0.0	-71.73	353.74	2.73	-69.00
C[NH+](C)CC1=CC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC=N1	REAL300028714163	1	53	0.0	-72.40	407.82	4.06	-68.34
C=CCC(C)(C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028714169	0	54	0.0	-65.76	378.93	3.88	-61.88
CC[NH+](CC)CCSCC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028714202	0	57	0.0	-80.01	443.47	5.84	-74.17
NC1=C(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]C2=CC=CC=C21	REAL300028714203	1	50	0.0	-65.31	394.69	2.70	-62.61
O=C(CC[NH+]1CCCC1)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028714208	0	51	0.0	-74.33	386.13	4.20	-70.13
C[N@H+](CCO)CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028714218	1	48	0.0	-72.81	366.93	-0.09	-72.90
C[N@@H+](CCO)CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028714218	1	48	0.0	-72.81	368.73	-0.13	-72.94
O=C(N[C@H]1CCCCN(C(=O)C2C[N@@H+]3CCN2CCC3)C1)C1=CC(=O)[N-]O1	REAL300028714263	0	54	0.0	-79.11	384.11	1.55	-77.56
O=C(N[C@H]1CCCCN(C(=O)C2C[N@H+]3CCN2CCC3)C1)C1=CC(=O)[N-]O1	REAL300028714263	1	54	0.0	-78.16	379.07	1.43	-76.73
CC(C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300028714295	1	52	0.0	-73.14	396.12	4.38	-68.76
C[N@H+]1CC=C(CC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028714347	0	52	0.0	-71.13	400.05	4.82	-66.31
C[N@@H+]1CC=C(CC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028714347	1	52	0.0	-68.79	397.93	4.83	-63.96
C[S+](C)CCC(O)C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028714365	0	50	0.0	-65.62	399.42	1.92	-63.70
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028714391	0	52	0.0	-74.11	379.97	-0.12	-74.23
C[N@H+]1CC(O)CC1(C)C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028714391	1	52	0.0	-71.75	380.06	-0.12	-71.87
CN1CC[N@H+](C)CC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028714407	0	56	0.0	-77.32	411.75	2.50	-74.82
CN1CC[N@@H+](C)CC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028714407	1	56	0.0	-72.43	410.10	2.32	-70.11
CC(C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300028714408	0	55	0.0	-68.56	407.59	1.28	-67.28
CC(C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300028714408	1	55	0.0	-71.47	407.33	1.31	-70.16
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028714444	0	51	0.0	-58.64	401.13	3.30	-55.34
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028714451	0	55	0.0	-66.94	401.33	2.64	-64.30
C[N@H+]1CCCC(O)(CC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028714451	1	55	0.0	-74.51	398.72	2.78	-71.73
CC1C[NH+](CC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028714458	1	48	0.0	-72.42	372.25	3.56	-68.86
CC[N@@H+]1CCCC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028714466	0	54	0.0	-62.58	392.76	4.88	-57.70
CC[N@H+]1CCCC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028714466	1	54	0.0	-62.71	392.32	4.77	-57.94
NC1=[NH+]C=CC=C1CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028714478	0	47	0.0	-67.34	375.21	2.33	-65.01
O=C(N[C@H]1CCCCN(C(=O)C2CCC[N@@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300028714494	0	52	0.0	-62.85	396.23	4.86	-57.99
O=C(N[C@H]1CCCCN(C(=O)C2CCC[N@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300028714494	1	52	0.0	-63.17	392.41	4.64	-58.53
O=C(C=CC[NH+]1CCCC1)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028714551	0	52	0.0	-76.93	402.35	4.98	-71.95
O=C(N[C@H]1CCCCN(C(=O)C2CC[NH+](C3CC3)CC2)C1)C1=CC(=O)[N-]O1	REAL300028714580	0	55	0.0	-75.79	411.35	5.34	-70.45
CC[N@H+](C)CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028714636	0	47	0.0	-71.67	356.55	3.15	-68.52
O=C(CN1CC2C=CC1C2)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028714710	0	50	0.0	-67.78	379.88	4.31	-63.47
O=C(C[N@@H+]1CC2C=CC1C2)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028714710	1	50	0.0	-69.80	378.07	4.46	-65.34
O=C(C[N@H+]1CC2C=CC1C2)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028714710	1	50	0.0	-69.80	378.07	4.46	-65.34
CC1=CC=C(NCCC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)N=C1	REAL300028714735	0	53	0.0	-71.11	419.84	3.92	-67.19
CC1=CC=C(NCCC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)[NH+]=C1	REAL300028714735	1	53	0.0	-71.11	419.84	3.92	-67.19
O=C(N[C@H]1CCCCN(C(=O)C23CCC[N@@H+]2CCCC3)C1)C1=CC(=O)[N-]O1	REAL300028714871	0	55	0.0	-68.37	386.60	4.23	-64.14
O=C(N[C@H]1CCCCN(C(=O)C23CCC[N@H+]2CCCC3)C1)C1=CC(=O)[N-]O1	REAL300028714871	1	55	0.0	-66.70	383.91	4.17	-62.53
O=C(N[C@H]1CCCCN(C(=O)C23CCC[N@@H+]2CC=CC3)C1)C1=CC(=O)[N-]O1	REAL300028714883	0	53	0.0	-66.63	378.17	3.91	-62.72
O=C(N[C@H]1CCCCN(C(=O)C23CCC[N@H+]2CC=CC3)C1)C1=CC(=O)[N-]O1	REAL300028714883	1	53	0.0	-66.23	377.06	3.99	-62.24
CC(OCC[NH+](C)C)C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028714896	0	54	0.0	-63.80	412.40	4.11	-59.69
C[NH+](C)CCOCCC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028714908	0	54	0.0	-76.13	417.80	3.32	-72.81
COCC[N@H+](C)CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028714910	1	51	0.0	-72.53	390.98	2.28	-70.25
COCC[N@@H+](C)CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028714910	1	51	0.0	-73.09	389.18	2.31	-70.78
O=C(N[C@H]1CCCCN(C(=O)C2C[NH+](C3CCOC3)C2)C1)C1=CC(=O)[N-]O1	REAL300028714912	0	53	0.0	-81.50	406.04	2.76	-78.74
CC(CCC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028714917	0	53	0.0	-80.19	394.42	4.25	-75.94
C[NH+]1CCC(=CC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028714945	0	52	0.0	-72.94	393.63	4.86	-68.08
CC[N@H+](CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028714956	0	51	0.0	-68.26	389.56	4.50	-63.76
CC[N@@H+](CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028714956	1	51	0.0	-69.54	386.97	4.47	-65.07
C[NH+](C)C1(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CCCSC1	REAL300028714961	0	55	0.0	-77.47	387.74	4.31	-73.16
CC1C[N@@H+]2CCN1C(C(=O)N1CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028714976	0	54	0.0	-84.47	389.74	1.14	-83.33
CC1C[N@H+]2CCN1C(C(=O)N1CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028714976	1	54	0.0	-78.26	386.02	0.99	-77.27
C[N@@H+]1CC2CC1(C(=O)N1CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028715014	0	49	0.0	-73.15	356.93	3.58	-69.57
C[N@H+]1CC2CC1(C(=O)N1CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028715014	1	49	0.0	-77.69	366.62	3.48	-74.21
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028715025	1	51	0.0	-76.19	405.21	3.16	-73.03
O=C(C[N@@H+]1CC2CCC1C2)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028715034	0	52	0.0	-68.72	384.93	4.35	-64.37
O=C(C[N@H+]1CC2CCC1C2)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028715034	1	52	0.0	-68.53	383.00	4.40	-64.13
CC(C)[NH+]1CCC(CC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028715050	0	60	0.0	-71.73	434.80	5.83	-65.90
CC(C[NH+](C)C)C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028715066	0	50	0.0	-65.28	376.97	3.62	-61.66
C[NH+](C)C1(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028715086	0	48	0.0	-77.61	359.14	2.85	-74.76
C[C@H](C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028715118	0	47	0.0	-66.50	355.56	2.80	-63.70
CC[N@@H+]1CCC1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028715130	1	48	0.0	-73.28	370.64	3.36	-69.92
CC[N@H+]1CCC1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028715130	1	48	0.0	-71.17	363.72	3.08	-68.09
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028715146	0	57	0.0	-65.17	409.51	5.35	-59.82
CC(C)[N@H+]1CCCC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028715146	1	57	0.0	-73.05	416.11	5.06	-67.99
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028715171	0	56	0.0	-65.46	403.29	2.97	-62.49
C#CC[N@H+]1CCCCC1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028715226	1	53	0.0	-71.54	392.85	4.63	-66.91
C#CC[N@@H+]1CCCCC1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028715226	1	53	0.0	-70.38	403.73	5.12	-65.26
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028715230	1	50	0.0	-65.34	392.96	3.17	-62.17
NC1=CC=[NH+]C=C1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028715231	0	44	0.0	-72.66	351.79	0.44	-72.22
CCCC(C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028715243	0	53	0.0	-71.36	388.48	4.08	-67.28
C[NH+](C)C(C)(C)C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028715251	0	50	0.0	-78.56	359.65	3.25	-75.31
CC(CC[NH+](C)C)C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028715277	0	53	0.0	-75.71	395.01	4.06	-71.65
O=C(N[C@H]1CCCCN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1)C1=CC(=O)[N-]O1	REAL300028715345	0	58	0.0	-76.78	407.84	5.04	-71.74
O=C(N[C@H]1CCCCN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1)C1=CC(=O)[N-]O1	REAL300028715345	1	58	0.0	-61.75	414.39	5.89	-55.86
O=C(N[C@H]1CCCCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1)C1=CC(=O)[N-]O1	REAL300028715385	0	53	0.0	-69.41	389.27	4.84	-64.57
O=C(N[C@H]1CCCCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1)C1=CC(=O)[N-]O1	REAL300028715385	1	53	0.0	-73.43	390.14	4.39	-69.04
COCCCC[N@H+](C)CCC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028715436	0	60	0.0	-79.46	455.59	4.37	-75.09
COCCCC[N@@H+](C)CCC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028715436	1	60	0.0	-79.35	455.59	4.37	-74.98
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028715448	0	54	0.0	-70.14	405.37	4.47	-65.67
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028715448	1	54	0.0	-72.90	399.82	4.06	-68.84
C[NH+](C)CCCCCC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028715454	0	56	0.0	-74.61	425.68	5.46	-69.15
O=C(CC[NH+]1CCC(O)CC1)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028715459	0	55	0.0	-77.31	413.92	1.63	-75.68
CCC[N@@H+]1CCCCC1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028715465	0	57	0.0	-69.68	417.80	5.32	-64.36
CCC[N@H+]1CCCCC1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028715465	1	57	0.0	-71.07	406.78	4.83	-66.24
CC[NH+]1CCN(CCC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028715475	0	59	0.0	-74.21	437.43	3.20	-71.01
CCN1CC[NH+](CCC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028715475	1	59	0.0	-75.35	436.30	3.06	-72.29
C[NH+]1CCN(CC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028715479	1	53	0.0	-73.64	399.90	1.94	-71.70
CC(C)C[NH+]1CCC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028715618	0	60	0.0	-78.96	435.97	5.95	-73.01
CC1C[N@H+](C)CC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028715621	1	52	0.0	-75.74	388.20	3.50	-72.24
CC1C[N@@H+](C)CC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028715621	1	52	0.0	-72.27	386.35	3.43	-68.84
CCC1CCC[N@H+](CC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028715660	0	57	0.0	-72.21	412.79	5.56	-66.65
CCC1CCC[N@@H+](CC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028715660	1	57	0.0	-69.46	412.24	5.12	-64.34
C[NH+](C)CC1=CC=C(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300028715671	0	52	0.0	-86.41	399.49	4.21	-82.20
O=C(C[NH+]1CC2CC2C1)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028715696	0	49	0.0	-72.60	375.54	4.31	-68.29
O=C(CC1([NH+]2CCCC2)CC1)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028715716	0	55	0.0	-71.38	406.66	5.27	-66.11
CC([NH2+]C1(CO)CCCC1)C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028715736	0	58	0.0	-74.13	406.17	-0.12	-74.25
C[N@@H+]1CCCCC1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028715771	0	51	0.0	-70.11	378.10	3.94	-66.17
C[N@H+]1CCCCC1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028715771	1	51	0.0	-69.75	369.02	3.48	-66.27
O=C(N[C@H]1CCCCN(C(=O)C2CC[N@@H+]2CC2=CC=CC=C2)C1)C1=CC(=O)[N-]O1	REAL300028715779	1	55	0.0	-76.59	424.86	6.21	-70.38
O=C(N[C@H]1CCCCN(C(=O)C2CC[N@H+]2CC2=CC=CC=C2)C1)C1=CC(=O)[N-]O1	REAL300028715779	1	55	0.0	-71.17	422.12	6.15	-65.02
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028715786	0	60	0.0	-65.62	426.42	6.04	-59.58
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028715786	1	60	0.0	-63.11	431.23	6.19	-56.92
C[NH+](C)C1CCN(CC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028715856	0	59	0.0	-73.75	434.22	3.14	-70.61
C[N@@H+]1CCC(=CC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028715936	0	49	0.0	-76.64	378.88	4.11	-72.53
C[N@H+]1CCC(=CC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028715936	1	49	0.0	-76.52	377.95	4.14	-72.38
O=C(CNC1=CC=[NH+]C=C1)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028715943	0	47	0.0	-75.62	376.61	1.72	-73.90
CC[NH+]1CCN(CC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028716015	0	56	0.0	-72.71	417.14	2.58	-70.13
O=C(C=C1C[NH+]2CCC1CC2)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028716018	0	53	0.0	-60.48	393.38	4.87	-55.61
C[NH+](C)C1(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300028716072	0	54	0.0	-69.41	375.21	3.88	-65.53
C[N@H+](CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300028716089	0	55	0.0	-66.45	409.24	1.85	-64.60
C[N@@H+](CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300028716089	1	55	0.0	-69.86	409.76	1.69	-68.17
CCC1C[NH+](CC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028716097	1	51	0.0	-73.06	393.58	4.31	-68.75
O=C(N[C@H]1CCCCN(C(=O)C2C[NH+](C3CCOCC3)C2)C1)C1=CC(=O)[N-]O1	REAL300028716101	0	56	0.0	-79.51	422.88	3.42	-76.09
O=C(N[C@H]1CCCCN(C(=O)C2([NH+]3CCCC3)CCC2)C1)C1=CC(=O)[N-]O1	REAL300028716103	0	55	0.0	-75.71	390.88	4.55	-71.16
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028716120	0	48	0.0	-70.53	364.73	3.30	-67.23
C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028716120	1	48	0.0	-70.80	359.00	3.04	-67.76
CC[N@@H+]1CCOCC1CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028716162	0	55	0.0	-75.58	404.61	2.82	-72.76
O=C(N[C@H]1CCCCN(C(=O)C2C[NH+](C3CCCCC3)C2)C1)C1=CC(=O)[N-]O1	REAL300028716190	0	58	0.0	-77.66	431.56	5.77	-71.89
COC1C[N@@H+]2CCCC2(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028716211	0	56	0.0	-73.00	407.15	2.70	-70.30
COC1C[N@H+]2CCCC2(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028716211	1	56	0.0	-73.00	407.15	2.70	-70.30
NC1=NC2=CC(C(=O)N3CCCC[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)=CC=C2N1	REAL300028716287	0	48	0.0	-76.00	377.91	3.30	-72.70
NC1=[NH+]C2=CC(C(=O)N3CCCC[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)=CC=C2N1	REAL300028716287	1	48	0.0	-76.00	377.91	3.30	-72.70
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028716340	0	51	0.0	-73.68	386.83	4.14	-69.54
C[NH+](C)CCC1(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300028716353	0	60	0.0	-74.89	430.91	5.42	-69.47
CC1CCCC(C)[NH+]1CCC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028716355	0	60	0.0	-71.31	429.40	5.64	-65.67
C[NH+](C)C1CCC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028716358	0	57	0.0	-79.82	416.23	5.08	-74.74
C[NH+](C)CCC1(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028716359	0	54	0.0	-75.23	401.56	4.60	-70.63
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028716364	0	57	0.0	-64.23	406.83	4.92	-59.31
C[N@@H+]1CC=CCC1CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028716365	0	52	0.0	-64.64	387.20	4.52	-60.12
C[N@H+]1CC=CCC1CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028716365	1	52	0.0	-79.09	392.05	4.58	-74.51
CC1=CC(C=CC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C[NH+]=C1N	REAL300028716434	1	51	0.0	-76.67	405.17	3.53	-73.14
C[NH+](C)CCOCC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028716450	0	51	0.0	-73.36	396.76	3.57	-69.79
CCCCC[N@H+](C)CCC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028716457	0	59	0.0	-76.45	443.41	6.08	-70.37
CCCCC[N@@H+](C)CCC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028716457	1	59	0.0	-76.35	443.41	6.07	-70.28
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028716471	0	55	0.0	-68.26	415.99	4.31	-63.95
[NH2+]=C1SC=CN1CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028716505	0	44	0.0	-67.98	368.04	2.65	-65.33
C[C@@H](OCC[NH+](C)C)C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028716604	0	54	0.0	-64.11	412.20	4.08	-60.03
O=C(CC[NH+]1CCCCCC1)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028716677	0	57	0.0	-76.20	412.83	5.17	-71.03
O=C(C[NH+]1CCCCC1)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028716681	0	51	0.0	-71.48	380.49	4.32	-67.16
C[N@@H+]1CCCC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028716683	0	51	0.0	-63.18	372.68	4.09	-59.09
C[N@H+]1CCCC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028716683	1	51	0.0	-66.74	374.35	3.97	-62.77
O=C(C[NH+]1CCC(CO)CC1)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028716685	0	55	0.0	-75.15	412.22	1.65	-73.50
O=C(C[NH+]1CCCCCC1)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028716691	0	54	0.0	-70.85	391.95	4.51	-66.34
CN1C=C[N+](CC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300028716698	0	46	0.0	-68.84	370.05	6.00	-62.84
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028716717	0	60	0.0	-77.77	413.09	4.54	-73.23
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028716717	1	60	0.0	-69.74	410.69	4.57	-65.17
C[NH+](C)CC1=CC=C(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028716723	1	51	0.0	-87.48	401.95	4.26	-83.22
C[NH+](C)CC1=CC=C(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300028716732	0	53	0.0	-84.77	413.99	4.16	-80.61
O=C(C[NH+]1CCC(O)CC1)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028716751	1	52	0.0	-75.86	391.64	1.00	-74.86
C[N@H+](CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028716758	0	48	0.0	-68.56	370.25	3.89	-64.67
C[N@@H+](CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028716758	1	48	0.0	-69.37	370.37	3.89	-65.48
CC(C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300028716760	1	56	0.0	-69.04	412.95	2.31	-66.73
O=C(CC[N@H+]1CCC(F)C1)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028716765	0	51	0.0	-80.10	392.89	4.28	-75.82
O=C(CC[N@@H+]1CCC(F)C1)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028716765	1	51	0.0	-79.68	394.94	4.27	-75.41
COC1C[N@H+](C)C(C)(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028716781	0	55	0.0	-77.79	397.49	2.17	-75.62
COC1C[N@@H+](C)C(C)(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028716781	1	55	0.0	-74.64	392.59	2.59	-72.05
CC(CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300028716808	0	53	0.0	-81.27	398.03	4.50	-76.77
O=C(N[C@H]1CCCCN(C(=O)C2CC[N@@H+]3CCOCC23)C1)C1=CC(=O)[N-]O1	REAL300028716830	0	53	0.0	-79.82	394.95	2.59	-77.23
O=C(N[C@H]1CCCCN(C(=O)C2CC[N@H+]3CCOCC23)C1)C1=CC(=O)[N-]O1	REAL300028716830	1	53	0.0	-71.11	398.06	2.75	-68.36
CC1=[NH+]C=C2C=CC(C(=O)N3CCCC[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300028716839	0	49	0.0	-70.43	393.87	5.53	-64.90
C[N@@H+]1CCOCC1CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028716860	1	52	0.0	-68.92	381.89	2.18	-66.74
C[N@H+]1CCOCC1CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028716860	1	52	0.0	-82.45	391.42	2.33	-80.12
CC[NH+]1CCN(CC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028716873	0	56	0.0	-72.71	417.14	2.58	-70.13
CC1=CC(N)=[NH+]C=C1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028716942	1	47	0.0	-77.32	371.91	1.73	-75.59
NC1=CC=C(CCC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300028716945	0	50	0.0	-72.76	397.84	3.03	-69.73
CC1(O)CC[N@H+](CC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028717008	0	52	0.0	-70.36	394.77	0.88	-69.48
CC1(O)CC[N@@H+](CC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028717008	1	52	0.0	-70.17	394.74	0.90	-69.27
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028717018	0	54	0.0	-64.17	412.63	3.58	-60.59
C[NH+]1CC(CC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028717055	0	48	0.0	-75.03	372.14	3.27	-71.76
O=C(N[C@H]1CCCCN(C(=O)C2CC[N@@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300028717061	0	55	0.0	-71.85	405.07	4.91	-66.94
O=C(N[C@H]1CCCCN(C(=O)C2CC[N@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300028717061	1	55	0.0	-74.29	409.62	5.15	-69.14
C[NH+](C)CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028717071	0	44	0.0	-72.30	340.96	2.48	-69.82
C[N@H+](CCO)CCC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028717116	0	51	0.0	-74.02	389.27	0.54	-73.48
C[N@@H+](CCO)CCC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028717116	1	51	0.0	-74.00	389.22	0.54	-73.46
C[C@@H](C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028717117	0	47	0.0	-71.73	353.74	2.73	-69.00
C[N@@H+]1CCCCC1CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028717143	0	54	0.0	-65.69	390.55	4.58	-61.11
C[N@H+]1CCCCC1CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028717143	1	54	0.0	-76.32	398.27	4.71	-71.61
CC1=C2C=C(C(=O)N3CCCC[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300028717176	1	49	0.0	-61.27	397.93	6.51	-54.76
CC(C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300028717177	0	51	0.0	-65.88	385.69	4.03	-61.85
CC1CC[N@@H+]1CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028717183	1	48	0.0	-69.98	366.72	3.28	-66.70
CC1CC[N@H+]1CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028717183	1	48	0.0	-71.25	372.22	3.54	-67.71
C[NH+](C)CC=CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028717203	0	48	0.0	-78.20	377.27	3.84	-74.36
CC1(C)C[NH+](CC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028717218	1	51	0.0	-72.77	391.55	4.08	-68.69
O=C(CCCC[NH+]1CCCCC1)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028717232	0	60	0.0	-74.39	445.82	6.55	-67.84
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300028717247	1	52	0.0	-69.46	411.13	3.78	-65.68
C[NH+]1CCC(C2(C(=O)N3CCCC[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300028717260	0	58	0.0	-81.11	422.27	5.51	-75.60
CC1=C2C=C(C(=O)N3CCCC[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300028717270	1	49	0.0	-61.27	397.93	6.51	-54.76
C[NH+](C)CCSCC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028717282	0	51	0.0	-82.29	407.78	4.47	-77.82
NC1=[NH+]C2=C(C=C1C(=O)N1CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C1)CCCC2	REAL300028717306	1	54	0.0	-64.30	414.59	3.85	-60.45
O=C(C[N@H+]1CCCC1CO)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028717314	0	52	0.0	-71.74	395.76	1.01	-70.73
O=C(C[N@@H+]1CCCC1CO)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028717314	1	52	0.0	-67.75	384.69	1.05	-66.70
CC[NH+](CC)CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028717317	0	50	0.0	-69.82	375.20	3.85	-65.97
C[N@H+](CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300028717330	0	52	0.0	-76.59	400.46	4.68	-71.91
C[N@@H+](CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300028717330	1	52	0.0	-75.78	401.80	4.71	-71.07
O=C(C[NH+]1CCC1)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028717332	1	45	0.0	-72.79	351.03	2.88	-69.91
CC[NH+](CC)CCC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028717393	0	53	0.0	-73.71	396.93	4.47	-69.24
NC(=O)C1CC[NH+](CC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028717419	0	55	0.0	-86.62	416.52	1.03	-85.59
C[NH+](C)CC1=CNC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300028717476	0	52	0.0	-55.64	389.19	4.65	-50.99
CC(C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300028717501	0	55	0.0	-72.67	407.31	1.30	-71.37
O=C(N[C@H]1CCCCN(C(=O)C2CC3COCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300028717509	0	53	0.0	-76.55	392.05	2.50	-74.05
O=C(N[C@H]1CCCCN(C(=O)C2CC3COCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300028717509	1	53	0.0	-72.82	398.96	2.78	-70.04
CC(C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300028717528	1	48	0.0	-70.18	363.58	3.17	-67.01
CCC(CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300028717539	0	56	0.0	-64.82	416.10	5.12	-59.70
NC1=CC=C(C=CC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300028717548	0	48	0.0	-75.33	387.48	2.80	-72.53
C[NH+](C)CC(C)(C)C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028717549	0	53	0.0	-68.20	380.43	3.59	-64.61
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028717628	0	51	0.0	-69.97	369.33	3.53	-66.44
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028717628	1	51	0.0	-64.32	379.43	4.00	-60.32
CC1CN2CC[N@@H+]1CC2C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028717645	0	54	0.0	-77.06	386.96	0.98	-76.08
CC1CN2CC[N@H+]1CC2C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028717645	1	54	0.0	-74.27	385.94	0.92	-73.35
C[NH+](C)CC(O)CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028717675	0	51	0.0	-80.52	393.37	1.52	-79.00
C[NH+]1C2CCC1CC(C(=O)N1CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028717678	0	55	0.0	-65.74	385.33	4.19	-61.55
C=CCC(C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028717729	0	51	0.0	-70.74	386.39	4.10	-66.64
O=C(N[C@H]1CCCCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300028717742	0	55	0.0	-72.83	400.76	4.89	-67.94
O=C(N[C@H]1CCCCN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300028717742	1	55	0.0	-68.45	406.68	5.21	-63.24
C[NH+]1CCC(C)(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028717758	0	54	0.0	-66.23	384.53	3.86	-62.37
C[NH+]1CCC(O)(CC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028717763	0	55	0.0	-76.22	411.27	2.80	-73.42
COCC[N@@H+]1CCCC1CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028717779	0	58	0.0	-75.67	429.74	3.84	-71.83
COCC[N@H+]1CCCC1CC(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028717779	1	58	0.0	-72.50	438.32	3.92	-68.58
C[NH+]1C2CCC1CC(CC(=O)N1CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028717794	0	58	0.0	-77.85	406.59	4.96	-72.89
C[NH+](C)CCN1N=CC=C1C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028717835	0	54	0.0	-67.57	416.94	3.89	-63.68
C[NH+]1CCC(C2(C(=O)N[C@H]3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300028717882	0	58	0.0	-65.43	425.95	5.93	-59.50
CC1=C2C=C(C(=O)N[C@H]3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300028717894	1	49	0.0	-82.91	390.21	6.27	-76.64
C[NH+](C)CCSCC(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028717905	0	51	0.0	-75.93	404.02	4.34	-71.59
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2COCC[N@@H+]2C1	REAL300028717917	0	53	0.0	-72.34	395.94	2.75	-69.59
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2COCC[N@H+]2C1	REAL300028717917	1	53	0.0	-69.32	395.74	2.78	-66.54
C[N@@H+]1CCCC1C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028718081	0	49	0.0	-76.13	362.37	3.13	-73.00
C[N@H+]1CCCC1C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028718081	1	49	0.0	-58.20	365.15	3.32	-54.88
C[N@@H+]1CCOC(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028718105	1	50	0.0	-62.89	382.42	3.26	-59.63
C[N@H+]1CCOC(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028718105	1	50	0.0	-83.62	372.65	2.87	-80.75
CC(C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCCC1	REAL300028718276	0	58	0.0	-56.23	415.21	5.20	-51.03
CC(C)[N@@H+]1CCCCC1C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028718278	0	58	0.0	-68.89	409.25	5.15	-63.74
CC(C)[N@H+]1CCCCC1C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028718278	1	58	0.0	-67.78	415.67	5.08	-62.70
CC(C)[N@@H+]1CCCC1C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028718299	0	55	0.0	-55.59	397.81	5.02	-50.57
CC(C)[N@H+]1CCCC1C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028718299	1	55	0.0	-71.48	394.98	4.82	-66.66
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@@H+]2C1	REAL300028718316	0	56	0.0	-56.86	412.80	5.52	-51.34
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@H+]2C1	REAL300028718316	1	56	0.0	-80.01	410.17	5.26	-74.75
CC(C)C1=[NH+]C=CN1CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028718338	1	53	0.0	-56.11	411.14	5.54	-50.57
CC1=[NH+]C=CN1CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028718372	1	47	0.0	-57.54	374.82	4.41	-53.13
CC(C[NH+]1CCOCC1)C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028718374	0	56	0.0	-59.56	415.85	3.64	-55.92
O=C(CCC[NH+]1CCCCC1)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028718391	0	58	0.0	-62.16	430.19	5.97	-56.19
CC(C)(C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCC1	REAL300028718410	0	58	0.0	-52.96	413.34	5.71	-47.25
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1C[NH+]2CCC1CC2	REAL300028718420	0	53	0.0	-78.89	383.59	4.36	-74.53
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCC2CCC[N@@H+]21	REAL300028718466	0	56	0.0	-56.10	401.54	5.35	-50.75
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCC2CCC[N@H+]21	REAL300028718466	1	56	0.0	-71.72	399.09	5.14	-66.58
C[C@@H]1[C@H](C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300028718482	0	52	0.0	-80.62	376.88	3.47	-77.15
C[C@@H]1[C@H](C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300028718482	1	52	0.0	-77.59	382.29	3.99	-73.60
CC[C@@H]1[C@@H](C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300028718487	0	55	0.0	-75.63	399.64	4.26	-71.37
CC[C@@H]1[C@@H](C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300028718487	1	55	0.0	-59.57	405.98	5.01	-54.56
CC[N@@H+]1CCOC(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028718502	1	53	0.0	-83.46	397.67	3.67	-79.79
CC[N@H+]1CCOC(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028718502	1	53	0.0	-58.52	393.07	3.69	-54.83
CC[NH+](CC)CC(F)C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028718548	0	54	0.0	-60.35	402.51	4.41	-55.94
CC1CCC(C)[NH+]1CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028718621	0	55	0.0	-70.99	399.84	4.49	-66.50
O=C(CCC[NH+]1CCCC1)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028718627	0	55	0.0	-75.65	412.58	5.13	-70.52
C[NH+](C)CC1=CC=CC(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028718628	0	55	0.0	-69.05	423.41	6.26	-62.79
C#CC[NH+]1CCC(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028718633	0	54	0.0	-62.16	415.02	5.62	-56.54
O=C(CC[NH+]1CCCCC1)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028718634	0	55	0.0	-60.37	409.15	5.19	-55.18
C[NH+](C)CC1=CC=CC=C1C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028718637	0	55	0.0	-61.10	415.93	6.52	-54.58
CC[N@@H+]1CCCCC1C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028718641	0	55	0.0	-56.51	395.25	4.86	-51.65
CC[N@H+]1CCCCC1C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028718641	1	55	0.0	-56.51	395.37	4.84	-51.67
C[NH+](C)C(C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300028718644	1	55	0.0	-58.47	419.87	6.26	-52.21
CC(C)C[N@@H+]1CCC(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028718661	0	58	0.0	-60.19	429.92	5.73	-54.46
CC(C)C[N@H+]1CCC(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028718661	1	58	0.0	-75.44	428.33	5.53	-69.91
C[NH+](C)C1(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)CCC1	REAL300028718665	0	52	0.0	-54.51	380.90	4.47	-50.04
CC(C)[N@@H+]1CCCC1CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028718667	0	58	0.0	-74.22	414.98	4.87	-69.35
CC(C)[N@H+]1CCCC1CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028718667	1	58	0.0	-55.18	414.35	5.30	-49.88
CC(C)[C@@H](C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028718682	0	54	0.0	-58.92	393.37	4.90	-54.02
C[N@H+](CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300028718731	0	52	0.0	-57.60	391.61	4.78	-52.82
C[N@@H+](CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300028718731	1	52	0.0	-57.72	391.51	4.77	-52.95
CC(C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1C(C)CCC1C	REAL300028718795	0	58	0.0	-53.34	413.63	4.87	-48.47
CN(CCC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=[NH+]C=C1	REAL300028718851	0	54	0.0	-74.04	417.23	4.25	-69.79
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028718859	1	51	0.0	-55.88	391.70	4.56	-51.32
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028718859	1	51	0.0	-72.09	394.93	4.84	-67.25
C[N@@H+]1CCCC1CCC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028718865	0	55	0.0	-59.99	412.50	5.27	-54.72
C[N@H+]1CCCC1CCC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028718865	1	55	0.0	-74.08	404.20	4.59	-69.49
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[NH+](CCC1)C2	REAL300028718876	0	56	0.0	-64.43	402.80	5.03	-59.40
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC2CCCC[N@@H+]21	REAL300028718883	0	56	0.0	-69.82	410.22	5.54	-64.28
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC2CCCC[N@H+]21	REAL300028718883	1	56	0.0	-69.94	410.36	5.49	-64.45
O=C(CCCC[NH+]1CCCC1)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028718903	0	58	0.0	-63.18	436.47	6.09	-57.09
C[N@H+](CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300028718905	1	55	0.0	-80.13	419.16	6.16	-73.97
C[N@@H+](CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300028718905	1	55	0.0	-61.85	422.10	6.39	-55.46
C[NH+]1CCC(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028718916	0	52	0.0	-62.18	389.95	4.45	-57.73
C[NH+](C)CC1=CC(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)=NO1	REAL300028718957	1	51	0.0	-74.09	403.47	3.77	-70.32
CC1=C(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C=CC2=C[NH+]=CN21	REAL300028718958	0	50	0.0	-75.55	394.88	6.34	-69.21
C[N@@H+]1CCCCC1C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028718990	0	52	0.0	-56.91	386.82	4.41	-52.50
C[N@H+]1CCCCC1C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028718990	1	52	0.0	-73.34	375.00	4.00	-69.34
CC(C)C[N@@H+]1CCCC1C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028719013	0	58	0.0	-74.15	421.48	5.19	-68.96
CC(C)C[N@H+]1CCCC1C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028719013	1	58	0.0	-56.08	429.69	5.98	-50.10
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN2C=[NH+]C=C2C=C1	REAL300028719118	0	47	0.0	-63.98	375.32	6.29	-57.69
CC1=[NH+]C=CN1CCCC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028719127	1	53	0.0	-59.94	416.35	5.69	-54.25
C[NH+](C)CC1=CC=C(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C=C1	REAL300028719132	0	55	0.0	-67.32	423.35	6.25	-61.07
O=C(CC[NH+]1CCOCC1)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028719133	1	53	0.0	-79.61	398.02	2.60	-77.01
CC1=C[NH+]=CN1CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028719164	1	47	0.0	-60.10	373.96	5.08	-55.02
O=C(CN1C=[NH+]C2=C1CCCC2)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028719170	1	54	0.0	-58.65	416.99	6.87	-51.78
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[NH+]1CCC2	REAL300028719206	0	53	0.0	-71.53	385.37	4.40	-67.13
C[NH+](C)C1CCCC(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028719235	0	58	0.0	-62.14	417.37	5.43	-56.71
C[N@@H+]1CCC(CC(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028719238	0	52	0.0	-76.66	389.35	4.14	-72.52
C[N@H+]1CCC(CC(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028719238	1	52	0.0	-63.55	391.92	4.36	-59.19
CN(C)C1=CC=[NH+]C=C1C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028719250	0	51	0.0	-83.49	393.28	3.40	-80.09
CCC(C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028719255	0	51	0.0	-57.98	375.79	3.78	-54.20
C[NH+](C)C1(CC(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300028719269	0	58	0.0	-61.29	408.99	5.19	-56.10
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC2=C[NH+]=CN2C=C1	REAL300028719313	1	47	0.0	-64.10	375.82	6.31	-57.79
C[NH+](C)CCCCC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028719371	0	54	0.0	-64.53	410.51	4.90	-59.63
CC(C)C(C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028719391	0	54	0.0	-58.88	394.95	4.87	-54.01
CCC[N@H+](C)CCC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028719393	0	54	0.0	-77.64	404.35	4.54	-73.10
CCC[N@@H+](C)CCC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028719393	1	54	0.0	-77.49	404.34	4.55	-72.94
CCC[N@H+](C)CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028719399	0	51	0.0	-59.41	384.48	4.18	-55.23
CCC[N@@H+](C)CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028719399	1	51	0.0	-59.29	384.62	4.21	-55.08
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C12CC[N@H+](C1)CCC2	REAL300028719423	0	53	0.0	-62.42	387.30	4.01	-58.41
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C12CC[N@@H+](C1)CCC2	REAL300028719423	1	53	0.0	-62.21	387.02	4.00	-58.21
C[N@@H+]1CCC[C@@H]1C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028719463	0	49	0.0	-58.08	364.79	3.36	-54.72
C[N@H+]1CCC[C@@H]1C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028719463	1	49	0.0	-71.31	367.53	3.65	-67.66
CCCCCC[N@H+](C)CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028719523	0	60	0.0	-60.36	449.12	6.55	-53.81
CCCCCC[N@@H+](C)CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028719523	1	60	0.0	-60.31	449.12	6.55	-53.76
CC[NH+](CC)C(C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C(C)C	REAL300028719528	0	60	0.0	-55.70	414.06	4.86	-50.84
CC[NH+](CC)CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028719537	0	51	0.0	-72.98	378.85	3.99	-68.99
CCC[N@@H+]1CCCC(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028719569	0	58	0.0	-57.77	422.49	5.98	-51.79
CCC[N@H+]1CCCC(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028719569	1	58	0.0	-69.20	419.82	5.81	-63.39
CC(C)[N@@H+]1CCOC(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028719586	1	56	0.0	-80.22	407.18	4.02	-76.20
CC(C)[N@H+]1CCOC(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028719586	1	56	0.0	-59.42	416.95	4.39	-55.03
CC1CC[NH+](CC(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028719618	0	55	0.0	-75.82	405.33	5.09	-70.73
C[NH+]1CCC(OCC(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028719646	0	56	0.0	-67.39	425.33	4.88	-62.51
C[NH+](C)CC1(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028719660	0	52	0.0	-75.11	391.79	4.58	-70.53
CC1=[NH+]C=C2CCC(C(=O)NC3CC4CCC3N(C(=O)C3=CC(=O)[N-]O3)C4)CN21	REAL300028719661	1	54	0.0	-69.60	410.50	5.34	-64.26
CC(C)[NH+]1CCC(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028719736	0	58	0.0	-59.19	424.15	5.60	-53.59
C[NH+]1CCC(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028719757	0	52	0.0	-62.18	389.95	4.45	-57.73
CC(C)[C@H](C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028719775	0	54	0.0	-58.27	391.71	4.62	-53.65
CCC(C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](CC)CC	REAL300028719806	0	57	0.0	-54.87	408.42	5.21	-49.66
CC[N@H+](C)CCC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028719868	0	51	0.0	-76.81	382.85	3.80	-73.01
CC[N@@H+](C)CCC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028719868	1	51	0.0	-76.71	382.85	3.81	-72.90
CC1CCC[N@@H+]1CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028719924	0	52	0.0	-72.22	387.86	4.38	-67.84
CC1CCC[N@H+]1CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028719924	1	52	0.0	-71.55	381.06	3.96	-67.59
CC1CC[N@H+](CC(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028719926	0	52	0.0	-58.07	390.29	4.54	-53.53
CC1CC[N@@H+](CC(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028719926	1	52	0.0	-58.25	390.49	4.46	-53.79
CC1=[NH+]C=C2CC(C(=O)NC3CC4CCC3N(C(=O)C3=CC(=O)[N-]O3)C4)CCN21	REAL300028719928	1	54	0.0	-55.65	414.32	5.51	-50.14
CC1(C)CC[N@H+](CC(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028719931	0	55	0.0	-58.02	410.36	5.08	-52.94
CC1(C)CC[N@@H+](CC(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028719931	1	55	0.0	-74.34	407.37	4.84	-69.50
C[N@H+](CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300028719932	0	57	0.0	-75.13	412.40	5.06	-70.07
C[N@@H+](CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300028719932	1	57	0.0	-58.42	415.05	5.31	-53.11
CC[C@@H](C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028719941	0	51	0.0	-58.31	379.01	3.98	-54.33
C[NH+]1CCC(O)(CC(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028720120	0	56	0.0	-64.76	415.71	3.08	-61.68
C[NH+](C)CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720132	0	45	0.0	-60.22	345.15	2.78	-57.44
O=C(C[NH+]1CCC(CO)CC1)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720136	1	56	0.0	-76.78	416.17	1.77	-75.01
O=C(C[NH+]1CCCCCC1)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720138	0	55	0.0	-58.47	398.49	5.16	-53.31
CN1C=C[N+](CC(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028720142	0	47	0.0	-58.14	376.39	6.29	-51.85
C[N@@H+]1CCCC(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028720149	0	52	0.0	-58.50	383.39	4.61	-53.89
C[N@H+]1CCCC(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028720149	1	52	0.0	-69.16	380.68	4.42	-64.74
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@@H+]1C1CC1	REAL300028720154	0	53	0.0	-75.93	387.21	5.13	-70.80
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@H+]1C1CC1	REAL300028720154	1	53	0.0	-55.10	397.42	5.14	-49.96
CC(C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300028720183	1	49	0.0	-57.67	373.14	3.83	-53.84
CCC(CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300028720189	0	57	0.0	-63.22	417.97	5.59	-57.63
C[NH+](C)CC(C)(C)C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720196	0	54	0.0	-61.98	392.35	4.44	-57.54
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C12CC(C1)C[N@@H+]2C1CC1	REAL300028720214	0	54	0.0	-53.07	399.41	5.20	-47.87
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C12CC(C1)C[N@H+]2C1CC1	REAL300028720214	1	54	0.0	-76.01	396.09	5.57	-70.44
O=C(C[NH+]1CCC(O)CC1)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720225	1	53	0.0	-61.74	397.96	1.30	-60.44
C[N@H+](CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300028720226	0	49	0.0	-57.13	374.65	4.19	-52.94
C[N@@H+](CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300028720226	1	49	0.0	-72.87	372.15	4.01	-68.86
CC(C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)N1CC[NH+](C)CC1	REAL300028720227	1	57	0.0	-64.20	416.01	2.61	-61.59
C[NH+]1CC(CC(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028720246	0	49	0.0	-76.75	374.20	3.42	-73.33
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@@H+]1C1CCCC1	REAL300028720250	0	56	0.0	-75.24	414.36	5.51	-69.73
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@H+]1C1CCCC1	REAL300028720250	1	56	0.0	-57.56	410.34	5.21	-52.35
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720258	0	55	0.0	-71.31	403.91	4.30	-67.01
CC(C)(C)[N@H+]1CCC1C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720258	1	55	0.0	-73.25	388.14	3.69	-69.56
C[C@@H](C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028720269	0	48	0.0	-58.41	363.27	3.18	-55.23
CCC1CCC[N@H+](CC(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028720311	0	58	0.0	-58.32	425.91	5.92	-52.40
CCC1CCC[N@@H+](CC(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028720311	1	58	0.0	-58.50	426.30	5.87	-52.63
C[NH+](C)CC1=CC=C(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300028720319	0	53	0.0	-61.21	411.91	3.97	-57.24
[NH2+]=C1SC=CN1CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720364	0	45	0.0	-56.15	372.46	2.98	-53.17
C[N@H+](CCO)CCC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720374	0	52	0.0	-76.05	393.20	0.58	-75.47
C[N@@H+](CCO)CCC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720374	1	52	0.0	-76.21	393.15	0.61	-75.60
C[C@@H](C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028720375	0	48	0.0	-58.41	363.27	3.18	-55.23
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720379	0	52	0.0	-73.39	375.16	3.99	-69.40
C[N@H+]1CCCC[C@@H]1C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720379	1	52	0.0	-70.12	384.43	4.18	-65.94
CC1CN2CC[N@@H+]1CC2C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720388	0	55	0.0	-83.44	395.10	1.55	-81.89
CC1CN2CC[N@H+]1CC2C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720388	1	55	0.0	-59.64	395.84	1.66	-57.98
O=C(CC1=CC2=C[NH+]=CN2C=C1)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720434	0	50	0.0	-73.46	397.18	6.75	-66.71
C[N@H+](CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300028720459	0	53	0.0	-64.08	404.88	5.03	-59.05
C[N@@H+](CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300028720459	1	53	0.0	-64.57	404.66	5.05	-59.52
C[NH+](C)CC1=CC(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)=CC=N1	REAL300028720490	1	54	0.0	-73.64	416.94	4.25	-69.39
C[N@@H+]1CCC(=CC(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028720492	0	50	0.0	-66.56	384.13	4.30	-62.26
C[N@H+]1CCC(=CC(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028720492	1	50	0.0	-78.36	381.55	4.10	-74.26
C[NH+](C)CCOCC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720526	0	52	0.0	-73.66	398.62	3.67	-69.99
CCCCC[N@H+](C)CCC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720532	0	60	0.0	-78.55	447.34	6.10	-72.45
CCCCC[N@@H+](C)CCC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720532	1	60	0.0	-78.38	447.34	6.11	-72.27
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300028720541	0	56	0.0	-75.91	421.18	4.52	-71.39
C=CCC(C)(C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028720548	0	55	0.0	-52.09	397.13	4.60	-47.49
C[S+](C)CCC(O)C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720553	0	51	0.0	-57.86	410.23	2.44	-55.42
C[N@@H+]1CC(O)CC1(C)C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720580	0	53	0.0	-84.21	389.63	0.83	-83.38
CN1CC[N@H+](C)CC(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028720592	0	57	0.0	-72.26	412.85	2.74	-69.52
CN1CC[N@@H+](C)CC(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028720592	1	57	0.0	-72.26	412.85	2.74	-69.52
CC(C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)[N@@H+]1CCCC(O)C1	REAL300028720593	0	56	0.0	-55.67	414.03	1.89	-53.78
O=C(CN1CCC(CO)CC1)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720603	0	56	0.0	-76.78	416.17	1.77	-75.01
O=C(C[NH+]1CCC(CO)CC1)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720603	1	56	0.0	-76.78	416.17	1.77	-75.01
C[N@@H+]1CCCC(O)(CC(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028720612	0	56	0.0	-74.93	400.19	2.80	-72.13
C[N@H+]1CCCC(O)(CC(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028720612	1	56	0.0	-74.93	400.19	2.80	-72.13
CC1CN(CC(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028720615	0	49	0.0	-75.19	373.83	3.69	-71.50
CC1C[NH+](CC(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028720615	1	49	0.0	-75.19	373.83	3.69	-71.50
CN(CCO)CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720642	0	49	0.0	-59.80	373.48	0.23	-59.57
C[N@H+](CCO)CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720642	1	49	0.0	-59.20	373.26	0.22	-58.98
C[N@@H+](CCO)CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720642	1	49	0.0	-59.20	373.26	0.22	-58.98
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1C[N@@H+]2CCN1CCC2	REAL300028720665	0	55	0.0	-62.65	393.19	2.09	-60.56
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1C[N@H+]2CCN1CCC2	REAL300028720665	1	55	0.0	-62.65	393.19	2.09	-60.56
CC[N@@H+]1CCCC(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028720671	0	55	0.0	-73.66	404.62	4.84	-68.82
CC[N@H+]1CCCC(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028720671	1	55	0.0	-73.66	404.62	4.84	-68.82
CC(CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300028720673	0	54	0.0	-62.90	402.26	4.76	-58.14
CC[N@H+](C)CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720686	0	48	0.0	-58.98	363.12	3.46	-55.52
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[N@@H+]1CCCC2	REAL300028720714	0	56	0.0	-70.39	395.67	5.00	-65.39
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[N@H+]1CCCC2	REAL300028720714	1	56	0.0	-70.39	395.67	5.00	-65.39
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[N@@H+]1CC=CC2	REAL300028720721	0	54	0.0	-68.43	389.91	4.85	-63.58
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[N@H+]1CC=CC2	REAL300028720721	1	54	0.0	-68.43	389.91	4.85	-63.58
CC[N@H+](CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300028720742	0	52	0.0	-56.17	390.03	4.54	-51.63
CC[NH+](CC)CCC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720760	0	54	0.0	-60.02	403.09	4.70	-55.32
CC1(O)CC[N@H+](CC(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028720813	0	53	0.0	-74.17	398.83	1.03	-73.14
C[NH+](C)CC=CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720820	0	49	0.0	-65.45	382.61	4.05	-61.40
CC(OCC[NH+](C)C)C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720842	0	55	0.0	-63.09	420.23	4.59	-58.50
C[NH+](C)CCOCCC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720851	0	55	0.0	-62.58	421.97	3.56	-59.02
COCC[N@H+](C)CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720852	1	52	0.0	-59.04	395.51	2.63	-56.41
COCC[N@@H+](C)CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720852	1	52	0.0	-59.62	395.73	2.63	-56.99
C[NH+](C)C1(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300028720888	0	55	0.0	-59.98	393.62	5.13	-54.85
CC(CCC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028720891	0	54	0.0	-62.29	402.50	4.52	-57.77
CC[N@@H+]1CCC1C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720900	1	49	0.0	-73.10	367.37	3.30	-69.80
CC[N@H+]1CCC1C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720900	1	49	0.0	-57.78	376.66	3.78	-54.00
CC(C)[N@@H+]1CCCC(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028720910	0	58	0.0	-56.55	417.70	5.76	-50.79
CC(C)[N@H+]1CCCC(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028720910	1	58	0.0	-72.81	421.34	5.37	-67.44
O=C(C[N@H+]1CCCC1CO)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720923	0	53	0.0	-73.99	396.99	1.08	-72.91
O=C(C[N@@H+]1CCCC1CO)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720923	1	53	0.0	-58.09	394.74	0.88	-57.21
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@@H+]2C1	REAL300028720945	0	56	0.0	-56.86	412.80	5.52	-51.34
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@H+]2C1	REAL300028720945	1	56	0.0	-80.01	410.17	5.26	-74.75
C[NH+]1CCC(C)(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028720951	0	55	0.0	-70.56	399.71	4.66	-65.90
C[NH+](C)CC1=CNC(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028720957	0	53	0.0	-64.79	411.52	4.09	-60.70
CC(C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC(O)CC1	REAL300028720973	1	56	0.0	-59.12	408.51	1.60	-57.52
C=CCC(C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028720981	0	52	0.0	-56.94	389.05	4.28	-52.66
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720994	0	55	0.0	-71.45	402.09	4.29	-67.16
C[N@H+]1CC(C)(C)CC1C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720994	1	55	0.0	-57.49	410.56	5.05	-52.44
C[NH+](C)CCCCCC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720998	0	57	0.0	-65.43	432.01	5.69	-59.74
O=C(C[NH+]1CC2CC2C1)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721006	0	50	0.0	-58.40	380.73	4.68	-53.72
CC1C[N@@H+]2CCN1C(C(=O)NC1CC3CCC1N(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300028721033	0	55	0.0	-61.50	398.31	1.81	-59.69
CC1C[N@H+]2CCN1C(C(=O)NC1CC3CCC1N(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300028721033	1	55	0.0	-80.63	395.39	1.62	-79.01
CCCC(C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028721034	0	54	0.0	-58.95	397.29	4.58	-54.37
C[NH+](C)C(C)(C)C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721038	0	51	0.0	-54.90	373.07	3.78	-51.12
C[N@@H+]1CCCCC1C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721080	0	52	0.0	-56.91	386.82	4.41	-52.50
C[N@H+]1CCCCC1C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721080	1	52	0.0	-73.34	375.00	4.00	-69.34
C[N@H+]1CC=C(CC(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028721120	0	53	0.0	-73.41	401.90	4.93	-68.48
C[N@@H+]1CC=C(CC(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028721120	1	53	0.0	-71.32	401.88	4.93	-66.39
O=C(CC1([NH+]2CCCC2)CC1)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721129	0	56	0.0	-57.50	410.33	5.50	-52.00
C[NH+](C)CC1=CC=C(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300028721178	1	52	0.0	-61.63	408.88	4.52	-57.11
C[NH+](C)CC1=CC=C(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C=N1	REAL300028721183	0	54	0.0	-66.73	419.08	4.78	-61.95
O=C(C=CC[NH+]1CCCC1)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721195	0	53	0.0	-63.88	407.69	5.22	-58.66
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[NH+](C2CC2)CC1	REAL300028721219	0	56	0.0	-78.33	416.67	5.63	-72.70
C[NH+](C)C1(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028721240	0	49	0.0	-55.74	368.95	3.79	-51.95
O=C(CC[NH+]1CCCC1)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721242	0	52	0.0	-60.74	391.88	4.38	-56.36
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1C[NH+]2CCN1CC2	REAL300028721280	0	52	0.0	-61.05	381.69	1.29	-59.76
C[N@@H+]1CC2CC1(C(=O)NC1CC3CCC1N(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300028721290	0	50	0.0	-80.04	374.61	3.75	-76.29
C[N@H+]1CC2CC1(C(=O)NC1CC3CCC1N(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300028721290	1	50	0.0	-53.90	375.05	4.14	-49.76
O=C(C[N@@H+]1CC2CCC1C2)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721304	0	53	0.0	-71.88	386.36	4.49	-67.39
O=C(C[N@H+]1CC2CCC1C2)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721304	1	53	0.0	-73.04	389.34	4.68	-68.36
O=C(C=C1C[NH+]2CCC1CC2)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721345	0	54	0.0	-64.45	401.64	5.19	-59.26
O=C(C[N@@H+]1CC2C=CC1C2)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721355	1	51	0.0	-56.81	383.96	4.69	-52.12
O=C(C[N@H+]1CC2C=CC1C2)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721355	1	51	0.0	-56.66	384.49	4.77	-51.89
CC[NH+]1CCN(CC(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028721387	0	57	0.0	-63.08	421.65	2.94	-60.14
CC(C[NH+](C)C)C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721407	0	51	0.0	-76.02	381.17	3.88	-72.14
C[N@@H+]1CCCCC1CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721485	0	55	0.0	-56.30	396.91	4.84	-51.46
C[N@H+]1CCCCC1CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721485	1	55	0.0	-69.48	394.09	4.63	-64.85
CC1=C2C=C(C(=O)NC3CC4CCC3N(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300028721501	1	50	0.0	-61.35	397.73	6.87	-54.48
CC(C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CC(C)C1	REAL300028721502	1	52	0.0	-57.17	392.68	4.48	-52.69
CC1CC[N@@H+]1CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721505	1	49	0.0	-73.62	373.71	3.67	-69.95
CC1CC[N@H+]1CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721505	1	49	0.0	-74.37	373.69	3.66	-70.71
C[NH+](C)CC(O)CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721510	0	52	0.0	-65.53	397.63	1.80	-63.73
CC1C[N@H+](C)CC(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300028721538	1	53	0.0	-84.29	393.83	3.60	-80.69
CC1C[N@@H+](C)CC(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300028721538	1	53	0.0	-84.36	393.81	3.59	-80.77
O=C(CC[NH+]1CCC(O)CC1)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721547	0	56	0.0	-64.49	419.79	1.82	-62.67
CCC[N@@H+]1CCCCC1C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721549	0	58	0.0	-56.85	416.99	5.59	-51.26
CCC[N@H+]1CCCCC1C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721549	1	58	0.0	-56.84	416.88	5.58	-51.26
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028721628	0	52	0.0	-74.18	392.03	4.32	-69.86
CC(CC[NH+](C)C)C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721636	0	54	0.0	-75.72	402.79	4.49	-71.23
C[N@H+](CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300028721657	0	56	0.0	-57.19	415.54	2.17	-55.02
C[N@@H+](CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300028721657	1	56	0.0	-57.44	415.87	2.16	-55.28
C[NH+]1CCN(CC(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028721669	1	54	0.0	-64.27	404.18	2.28	-61.99
CC[NH+]1CCN(CC(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028721678	0	57	0.0	-63.08	421.65	2.94	-60.14
NC(=[NH2+])SCC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721704	0	43	0.0	-59.71	353.07	-0.28	-59.99
CC[N@@H+]1CCOCC1CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721741	0	56	0.0	-75.72	405.71	2.93	-72.79
C[NH+](C)C1CCC(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028721757	0	58	0.0	-61.61	417.55	5.44	-56.17
C[NH+](C)CCC1(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028721758	0	55	0.0	-80.73	417.66	5.06	-75.67
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028721760	0	58	0.0	-61.60	417.40	5.51	-56.09
C[N@@H+]1CC=CCC1CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721761	0	53	0.0	-78.42	393.70	4.65	-73.77
C[N@H+]1CC=CCC1CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721761	1	53	0.0	-78.42	393.70	4.65	-73.77
C[C@@H](OCC[NH+](C)C)C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721784	0	55	0.0	-70.90	418.41	4.35	-66.55
C[NH+]1C2CCC1CC(C(=O)NC1CC3CCC1N(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300028721812	0	56	0.0	-72.13	385.34	5.04	-67.09
CC(C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCSCC1	REAL300028721922	1	53	0.0	-74.98	401.93	4.61	-70.37
CCC1C[NH+](CC(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028721924	1	52	0.0	-59.92	397.56	4.62	-55.30
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1([NH+]2CCCC2)CCC1	REAL300028721926	0	56	0.0	-52.24	405.32	5.51	-46.73
C[N@@H+]1CCC[C@H]1C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721935	0	49	0.0	-56.90	370.76	3.76	-53.14
C[N@H+]1CCC[C@H]1C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721935	1	49	0.0	-76.09	362.42	3.13	-72.96
O=C(CC[N@H+]1CCC(F)C1)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721942	0	52	0.0	-63.51	399.61	4.57	-58.94
O=C(CC[N@@H+]1CCC(F)C1)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721942	1	52	0.0	-81.49	396.99	4.35	-77.14
COC1C[N@H+](C)C(C)(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028721950	0	56	0.0	-56.48	410.64	3.32	-53.16
COC1C[N@@H+](C)C(C)(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028721950	1	56	0.0	-56.17	412.19	3.63	-52.54
O=C(CC[NH+]1CCCCCC1)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721959	0	58	0.0	-78.39	416.77	5.22	-73.17
O=C(C[NH+]1CCCCC1)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721961	0	52	0.0	-58.08	386.99	4.64	-53.44
CC1C(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300028721971	0	52	0.0	-59.95	391.27	4.31	-55.64
CC1C(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300028721971	1	52	0.0	-59.82	386.23	3.98	-55.84
C[N@@H+]1CCCCC1CCC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721973	0	58	0.0	-61.95	426.01	5.70	-56.25
C[N@H+]1CCCCC1CCC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721973	1	58	0.0	-74.13	423.79	5.52	-68.61
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@@H+]2CCOCC12	REAL300028722003	0	54	0.0	-61.95	404.20	3.02	-58.93
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@H+]2CCOCC12	REAL300028722003	1	54	0.0	-73.65	395.43	2.82	-70.83
CC1=[NH+]C=C2C=CC(C(=O)NC3CC4CCC3N(C(=O)C3=CC(=O)[N-]O3)C4)=CN21	REAL300028722008	0	50	0.0	-59.32	396.73	6.06	-53.26
C[N@@H+]1CCOCC1CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028722025	1	53	0.0	-58.95	388.28	2.44	-56.51
C[N@H+]1CCOCC1CC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028722025	1	53	0.0	-81.73	393.04	2.38	-79.35
CC1=C(C)[NH+]=C(CCC(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300028722033	1	53	0.0	-56.27	415.61	4.07	-52.20
C[N@@H+]1CCCC1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028722205	0	49	0.0	-61.70	369.40	3.66	-58.04
C[N@H+]1CCCC1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028722205	1	49	0.0	-69.40	367.60	3.57	-65.83
CC1=[NH+]C=CN1CCCC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028722393	1	53	0.0	-70.11	417.02	5.67	-64.44
C[NH+](C)CC1=CC=C(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C=C1	REAL300028722398	0	55	0.0	-83.28	417.46	5.61	-77.67
O=C(CC[NH+]1CCOCC1)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028722399	1	53	0.0	-71.08	403.88	2.96	-68.12
O=C(NC1CC2CCC1N(C(=O)C13CCC[NH+]1CCC3)C2)C1=CC(=O)[N-]O1	REAL300028722424	0	53	0.0	-60.81	383.99	4.27	-56.54
O=C(NC1CC2CCC1N(C(=O)C1=CC3=C[NH+]=CN3C=C1)C2)C1=CC(=O)[N-]O1	REAL300028722434	1	47	0.0	-71.67	382.58	6.31	-65.36
C[NH+](C)C1CCCC(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028722494	0	58	0.0	-59.23	415.73	5.37	-53.86
C[N@@H+]1CCC(CC(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028722497	0	52	0.0	-76.41	392.45	4.35	-72.06
C[N@H+]1CCC(CC(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028722497	1	52	0.0	-71.11	394.81	4.56	-66.55
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028722509	0	51	0.0	-71.80	399.07	2.70	-69.10
CCC(C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028722514	0	51	0.0	-61.21	377.03	3.93	-57.28
C[NH+](C)CCCCC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028722581	0	54	0.0	-69.45	413.91	5.11	-64.34
CC(C)C(C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028722603	0	54	0.0	-60.50	391.32	4.42	-56.08
CCC[N@H+](C)CCC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028722605	0	54	0.0	-68.71	410.22	4.92	-63.79
CCC[N@@H+](C)CCC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028722605	1	54	0.0	-68.53	410.21	4.93	-63.60
CCC[N@H+](C)CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028722611	0	51	0.0	-72.17	385.15	4.15	-68.02
CCC[N@@H+](C)CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028722611	1	51	0.0	-65.54	387.77	4.34	-61.20
O=C(NC1CC2CCC1N(C(=O)C13CC[N@H+](C1)CCC3)C2)C1=CC(=O)[N-]O1	REAL300028722635	0	53	0.0	-62.90	374.86	3.80	-59.10
O=C(NC1CC2CCC1N(C(=O)C13CC[N@@H+](C1)CCC3)C2)C1=CC(=O)[N-]O1	REAL300028722635	1	53	0.0	-65.98	374.29	4.27	-61.71
CCCCCC[N@H+](C)CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028722671	0	60	0.0	-73.48	449.64	6.49	-66.99
CCCCCC[N@@H+](C)CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028722671	1	60	0.0	-73.49	449.56	6.48	-67.01
CC[NH+](CC)C(C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)C(C)C	REAL300028722676	0	60	0.0	-63.45	408.42	4.80	-58.65
CC1CC[NH+](CC(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028722709	0	55	0.0	-66.22	411.12	5.43	-60.79
C[NH+]1CCC(OCC(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028722737	0	56	0.0	-79.38	426.00	4.89	-74.49
O=C(NC1CC2CCC1N(C(=O)C1CC3CCCC[N@@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300028722782	0	56	0.0	-72.93	408.85	5.24	-67.69
O=C(NC1CC2CCC1N(C(=O)C1CC3CCCC[N@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300028722782	1	56	0.0	-71.62	409.02	5.24	-66.38
C[NH+](C)CC1(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028722793	0	52	0.0	-72.16	391.73	4.25	-67.91
CC1=[NH+]C=C2CCC(C(=O)N3CC4CCC3C(NC(=O)C3=CC(=O)[N-]O3)C4)CN21	REAL300028722794	1	54	0.0	-68.36	412.94	5.29	-63.07
CC(C)[NH+]1CCC(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028722805	0	58	0.0	-68.79	422.64	5.41	-63.38
CC[N@H+](C)CCC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028722830	0	51	0.0	-68.01	388.72	4.18	-63.83
CC[N@@H+](C)CCC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028722830	1	51	0.0	-67.89	388.71	4.19	-63.70
CC(C)(C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCC1	REAL300028722856	0	58	0.0	-64.91	401.50	5.50	-59.41
O=C(NC1CC2CCC1N(C(=O)C1C[NH+]3CCC1CC3)C2)C1=CC(=O)[N-]O1	REAL300028722866	0	53	0.0	-77.65	382.36	4.22	-73.43
C[NH+]1CCC(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028722946	0	52	0.0	-71.14	391.97	4.46	-66.68
CC(C)[C@H](C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028722964	0	54	0.0	-60.07	387.71	4.27	-55.80
CC[NH+](CC)CC(F)C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028723059	0	54	0.0	-63.95	404.08	4.48	-59.47
CC(C)C[N@@H+]1CCC(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028723094	0	58	0.0	-73.72	425.94	5.51	-68.21
CC(C)C[N@H+]1CCC(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028723094	1	58	0.0	-66.75	427.74	5.67	-61.08
C[NH+](C)C1(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)CCC1	REAL300028723098	0	52	0.0	-72.29	371.85	3.50	-68.79
CCC(C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](CC)CC	REAL300028723129	0	57	0.0	-57.92	408.27	5.01	-52.91
CC1CCC[N@@H+]1CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028723149	0	52	0.0	-62.69	394.52	4.61	-58.08
CC1CCC[N@H+]1CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028723149	1	52	0.0	-62.78	394.45	4.61	-58.17
CC(C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCCC1	REAL300028723219	0	58	0.0	-63.31	415.42	5.24	-58.07
CC(C)[N@@H+]1CCCCC1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028723221	0	58	0.0	-59.12	419.12	5.35	-53.77
CC(C)[N@H+]1CCCCC1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028723221	1	58	0.0	-61.57	419.40	5.37	-56.20
CC(C)[N@@H+]1CCCC1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028723242	0	55	0.0	-68.40	394.29	4.91	-63.49
CC(C)[N@H+]1CCCC1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028723242	1	55	0.0	-67.53	400.22	4.63	-62.90
CC(C)[N@@H+]1CCCC1CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028723248	0	58	0.0	-62.32	419.76	5.06	-57.26
CC(C)[N@H+]1CCCC1CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028723248	1	58	0.0	-71.14	425.15	5.40	-65.74
CC(C)[C@@H](C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028723263	0	54	0.0	-62.20	392.23	4.70	-57.50
CC1CC[N@H+](CC(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028723284	0	52	0.0	-64.48	393.66	4.63	-59.85
CC1CC[N@@H+](CC(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028723284	1	52	0.0	-65.59	394.79	4.63	-60.96
CC1=[NH+]C=C2CC(C(=O)N3CC4CCC3C(NC(=O)C3=CC(=O)[N-]O3)C4)CCN21	REAL300028723286	1	54	0.0	-69.86	414.68	5.38	-64.48
CC1(C)CC[N@H+](CC(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028723289	0	55	0.0	-71.31	410.85	4.98	-66.33
CC1(C)CC[N@@H+](CC(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028723289	1	55	0.0	-65.25	414.00	5.20	-60.05
C[N@H+](CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300028723290	0	57	0.0	-71.77	415.54	5.22	-66.55
C[N@@H+](CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300028723290	1	57	0.0	-71.83	415.60	5.26	-66.57
CC[C@@H](C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028723299	0	51	0.0	-67.01	377.06	3.96	-63.05
CN(CCC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)C1=CC=[NH+]C=C1	REAL300028723426	0	54	0.0	-59.91	423.29	4.64	-55.27
CC1=[NH+]C=CN1CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028723510	1	47	0.0	-68.80	375.26	4.34	-64.46
CC(C[NH+]1CCOCC1)C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028723512	1	56	0.0	-67.07	419.66	3.50	-63.57
O=C(CCC[NH+]1CCCCC1)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028723529	0	58	0.0	-73.70	431.10	5.97	-67.73
C[NH+](C)CC1=CC(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)=NO1	REAL300028723547	1	51	0.0	-74.56	403.09	4.11	-70.45
CC1=C(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C=CC2=C[NH+]=CN21	REAL300028723548	0	50	0.0	-74.43	399.33	6.73	-67.70
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028723583	1	53	0.0	-60.87	414.19	5.67	-55.20
O=C(NC1CC2CCC1N(C(=O)C1CCCC3CCC[N@@H+]31)C2)C1=CC(=O)[N-]O1	REAL300028723619	0	56	0.0	-64.27	409.21	5.36	-58.91
O=C(NC1CC2CCC1N(C(=O)C1CCCC3CCC[N@H+]31)C2)C1=CC(=O)[N-]O1	REAL300028723619	1	56	0.0	-60.64	397.62	5.25	-55.39
CC[N@@H+]1CCOC(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028723641	1	53	0.0	-80.50	395.92	3.61	-76.89
CC[N@H+]1CCOC(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028723641	1	53	0.0	-61.12	386.84	3.30	-57.82
O=C(NC1CC2CCC1N(C(=O)C1=CN3C=[NH+]C=C3C=C1)C2)C1=CC(=O)[N-]O1	REAL300028723694	0	47	0.0	-73.58	379.95	6.07	-67.51
CC1=C[NH+]=CN1CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028723699	1	47	0.0	-70.39	375.72	5.08	-65.31
C[C@@H]1[C@H](C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300028723715	0	52	0.0	-73.60	383.65	3.85	-69.75
C[C@@H]1[C@H](C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300028723715	1	52	0.0	-74.83	385.76	4.26	-70.57
CC[C@@H]1[C@@H](C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300028723720	0	55	0.0	-75.50	397.36	4.21	-71.29
CC[C@@H]1[C@@H](C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300028723720	1	55	0.0	-74.97	404.12	4.56	-70.41
CC1CCC(C)[NH+]1CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028723733	0	55	0.0	-62.00	405.07	4.81	-57.19
O=C(CCC[NH+]1CCCC1)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028723739	0	55	0.0	-66.86	418.44	5.49	-61.37
C[NH+](C)CC1=CC=CC(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028723740	0	55	0.0	-75.24	418.03	5.64	-69.60
C#CC[NH+]1CCC(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028723746	0	54	0.0	-74.17	416.64	5.60	-68.57
O=C(CC[NH+]1CCCCC1)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028723747	0	55	0.0	-67.40	412.62	5.39	-62.01
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028723751	0	55	0.0	-59.94	419.22	6.31	-53.63
CC[N@@H+]1CCCCC1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028723755	0	55	0.0	-68.89	398.66	4.83	-64.06
CC[N@H+]1CCCCC1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028723755	1	55	0.0	-71.72	395.74	4.62	-67.10
C[NH+](C)C(C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300028723758	1	55	0.0	-68.10	415.10	6.07	-62.03
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028723763	1	54	0.0	-71.42	417.51	6.80	-64.62
C[NH+](C)C1(CC(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300028723799	0	58	0.0	-70.02	412.37	5.39	-64.63
C[N@H+](CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300028723964	0	52	0.0	-69.59	392.02	4.72	-64.87
C[N@@H+](CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300028723964	1	52	0.0	-69.92	392.07	4.71	-65.21
CC(C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1C(C)CCC1C	REAL300028723989	0	58	0.0	-61.83	404.60	4.63	-57.20
O=C(CCCC[NH+]1CCCC1)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028724002	0	58	0.0	-67.79	439.87	6.29	-61.50
C[N@H+](CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300028724004	1	55	0.0	-76.81	422.58	6.33	-70.48
C[N@@H+](CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300028724004	1	55	0.0	-69.82	425.25	6.52	-63.30
C[NH+]1CCC(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028724015	0	52	0.0	-71.14	391.97	4.46	-66.68
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028724060	0	49	0.0	-72.33	364.31	3.19	-69.14
C[N@H+]1CCC[C@@H]1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028724060	1	49	0.0	-60.52	373.06	3.78	-56.74
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028724084	1	51	0.0	-68.24	390.89	4.41	-63.83
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028724084	1	51	0.0	-69.74	393.44	4.79	-64.95
C[N@@H+]1CCCC1CCC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028724090	0	55	0.0	-67.92	416.24	5.42	-62.50
C[N@H+]1CCCC1CCC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028724090	1	55	0.0	-64.93	410.41	4.98	-59.95
O=C(NC1CC2CCC1N(C(=O)C13CCC[NH+](CCC1)C3)C2)C1=CC(=O)[N-]O1	REAL300028724101	0	56	0.0	-67.87	394.28	4.53	-63.34
O=C(NC1CC2CCC1N(C(=O)C1CCC3CCCC[N@@H+]31)C2)C1=CC(=O)[N-]O1	REAL300028724108	0	56	0.0	-66.65	409.21	5.48	-61.17
O=C(NC1CC2CCC1N(C(=O)C1CCC3CCCC[N@H+]31)C2)C1=CC(=O)[N-]O1	REAL300028724108	1	56	0.0	-67.25	409.60	5.47	-61.78
CCC[N@@H+]1CCCC(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028724181	0	58	0.0	-56.58	412.12	6.37	-50.21
CCC[N@H+]1CCCC(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028724181	1	58	0.0	-71.36	422.36	5.83	-65.53
CC(C)[N@@H+]1CCOC(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028724198	1	56	0.0	-79.39	412.64	4.11	-75.28
CC(C)[N@H+]1CCOC(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028724198	1	56	0.0	-73.94	414.07	4.22	-69.72
C[N@@H+]1CCCCC1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028724229	0	52	0.0	-60.54	377.38	4.25	-56.29
C[N@H+]1CCCCC1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028724229	1	52	0.0	-70.09	378.42	4.01	-66.08
CC(C)C[N@@H+]1CCCC1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028724253	0	58	0.0	-62.73	419.38	5.54	-57.19
CC(C)C[N@H+]1CCCC1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028724253	1	58	0.0	-68.27	424.77	5.59	-62.68
O=C(C[NH+]1CCC(CO)CC1)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028724268	0	56	0.0	-67.67	421.96	2.08	-65.59
CC1C(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300028724314	0	52	0.0	-68.31	389.31	4.23	-64.08
CC1C(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300028724314	1	52	0.0	-74.11	387.68	3.97	-70.14
C[N@@H+]1CCCCC1CCC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028724316	0	58	0.0	-71.21	427.06	5.65	-65.56
C[N@H+]1CCCCC1CCC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028724316	1	58	0.0	-66.26	429.96	5.91	-60.35
NC1=[NH+]C2=C(C=C1C(=O)N1CC3CCC1C(NC(=O)C1=CC(=O)[N-]O1)C3)CCC2	REAL300028724348	1	52	0.0	-60.34	402.61	3.65	-56.69
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028724412	0	55	0.0	-69.76	406.79	4.37	-65.39
CC(C)(C)[N@H+]1CCC1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028724412	1	55	0.0	-61.88	389.33	3.85	-58.03
C[C@@H](C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028724431	0	48	0.0	-62.65	364.32	3.26	-59.39
C[NH+](C)CC1=CC(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)=CC=N1	REAL300028724445	1	54	0.0	-73.31	413.89	3.84	-69.47
C=CCC(C)(C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028724449	0	55	0.0	-68.45	387.62	4.54	-63.91
O=C(CC[NH+]1CCCC1)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028724474	0	52	0.0	-74.28	392.78	4.39	-69.89
C[N@H+](CCO)CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028724484	1	49	0.0	-72.57	373.91	0.15	-72.42
C[N@@H+](CCO)CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028724484	1	49	0.0	-72.38	373.79	0.16	-72.22
O=C(NC1CC2CCC1N(C(=O)C1C[N@@H+]3CCN1CCC3)C2)C1=CC(=O)[N-]O1	REAL300028724522	0	55	0.0	-85.25	387.90	2.10	-83.15
O=C(NC1CC2CCC1N(C(=O)C1C[N@H+]3CCN1CCC3)C2)C1=CC(=O)[N-]O1	REAL300028724522	1	55	0.0	-66.17	393.81	2.09	-64.08
CC(C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCSCC1	REAL300028724544	1	53	0.0	-66.68	405.32	4.84	-61.84
C[N@H+]1CC=C(CC(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028724584	0	53	0.0	-64.56	407.78	5.32	-59.24
C[N@@H+]1CC=C(CC(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028724584	1	53	0.0	-68.88	405.30	5.08	-63.80
C[S+](C)CCC(O)C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028724599	0	51	0.0	-77.96	408.03	2.32	-75.64
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028724618	0	53	0.0	-73.62	382.58	0.51	-73.11
C[N@H+]1CC(O)CC1(C)C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028724618	1	53	0.0	-66.42	376.92	0.91	-65.51
CN1CC[N@H+](C)CC(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028724631	0	57	0.0	-57.45	418.06	2.80	-54.65
CN1CC[N@@H+](C)CC(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028724631	1	57	0.0	-76.22	416.30	2.28	-73.94
CC(C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)[N@@H+]1CCCC(O)C1	REAL300028724632	0	56	0.0	-69.06	414.04	1.51	-67.55
CC(C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)[N@H+]1CCCC(O)C1	REAL300028724632	1	56	0.0	-64.71	417.22	1.79	-62.92
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028724659	0	52	0.0	-68.37	409.07	3.76	-64.61
C[N@@H+]1CCCC(O)(CC(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028724665	0	56	0.0	-68.91	405.98	2.87	-66.04
C[N@H+]1CCCC(O)(CC(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028724665	1	56	0.0	-64.50	418.18	3.29	-61.21
CC1C[NH+](CC(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028724670	1	49	0.0	-65.77	380.09	4.07	-61.70
CC[N@@H+]1CCCC(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028724677	0	55	0.0	-60.39	396.59	4.91	-55.48
CC[N@H+]1CCCC(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028724677	1	55	0.0	-63.05	409.64	5.09	-57.96
NC1=[NH+]C=CC=C1CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028724683	0	48	0.0	-63.32	382.80	2.76	-60.56
O=C(NC1CC2CCC1N(C(=O)C1CCC[N@@H+]1C1CC1)C2)C1=CC(=O)[N-]O1	REAL300028724696	0	53	0.0	-66.73	397.62	4.75	-61.98
O=C(NC1CC2CCC1N(C(=O)C1CCC[N@H+]1C1CC1)C2)C1=CC(=O)[N-]O1	REAL300028724696	1	53	0.0	-60.71	395.59	5.05	-55.66
O=C(C=CC[NH+]1CCCC1)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028724739	0	53	0.0	-70.72	409.95	5.32	-65.40
O=C(NC1CC2CCC1N(C(=O)C1CC[NH+](C3CC3)CC1)C2)C1=CC(=O)[N-]O1	REAL300028724762	0	56	0.0	-66.37	421.21	5.87	-60.50
CC[N@H+](C)CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028724809	0	48	0.0	-71.93	363.56	3.39	-68.54
O=C(C[N@@H+]1CC2C=CC1C2)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028724869	1	51	0.0	-70.27	385.24	4.67	-65.60
O=C(C[N@H+]1CC2C=CC1C2)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028724869	1	51	0.0	-70.37	385.13	4.69	-65.68
CC1=CC=C(NCCC(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)[NH+]=C1	REAL300028724891	1	54	0.0	-63.33	427.48	4.35	-58.98
O=C(NC1CC2CCC1N(C(=O)C1C[NH+]3CCN1CC3)C2)C1=CC(=O)[N-]O1	REAL300028724952	0	52	0.0	-79.21	380.08	1.02	-78.19
O=C(NC1CC2CCC1N(C(=O)C13CCC[N@@H+]1CCCC3)C2)C1=CC(=O)[N-]O1	REAL300028724997	0	56	0.0	-61.08	388.18	4.67	-56.41
O=C(NC1CC2CCC1N(C(=O)C13CCC[N@H+]1CCCC3)C2)C1=CC(=O)[N-]O1	REAL300028724997	1	56	0.0	-61.03	388.38	4.59	-56.44
O=C(NC1CC2CCC1N(C(=O)C13CCC[N@@H+]1CC=CC3)C2)C1=CC(=O)[N-]O1	REAL300028725006	0	54	0.0	-64.77	384.31	4.21	-60.56
O=C(NC1CC2CCC1N(C(=O)C13CCC[N@H+]1CC=CC3)C2)C1=CC(=O)[N-]O1	REAL300028725006	1	54	0.0	-66.30	384.80	4.25	-62.05
CC(OCC[NH+](C)C)C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725017	0	55	0.0	-66.86	419.15	4.46	-62.40
C[NH+](C)CCOCCC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725027	0	55	0.0	-65.80	425.37	3.77	-62.03
COCC[N@H+](C)CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725029	1	52	0.0	-72.00	396.04	2.56	-69.44
COCC[N@@H+](C)CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725029	1	52	0.0	-72.85	396.17	2.56	-70.29
O=C(NC1CC2CCC1N(C(=O)C1C[NH+](C3CCOC3)C1)C2)C1=CC(=O)[N-]O1	REAL300028725030	0	54	0.0	-81.33	411.70	3.06	-78.27
CC(CCC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028725035	0	54	0.0	-66.97	405.90	4.72	-62.25
C[NH+]1CCC(=CC(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028725054	0	53	0.0	-68.78	401.09	5.20	-63.58
CC[N@H+](CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300028725062	0	52	0.0	-61.76	397.34	4.95	-56.81
CC[N@@H+](CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300028725062	1	52	0.0	-61.92	392.87	4.68	-57.24
CC1C[N@@H+]2CCN1C(C(=O)N1CC3CCC1C(NC(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300028725078	0	55	0.0	-78.13	394.20	1.42	-76.71
CC1C[N@H+]2CCN1C(C(=O)N1CC3CCC1C(NC(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300028725078	1	55	0.0	-82.33	394.19	1.40	-80.93
C[N@@H+]1CC2CC1(C(=O)N1CC3CCC1C(NC(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300028725103	0	50	0.0	-72.86	371.31	3.52	-69.34
C[N@H+]1CC2CC1(C(=O)N1CC3CCC1C(NC(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300028725103	1	50	0.0	-75.70	368.51	3.88	-71.82
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725113	1	52	0.0	-67.09	412.61	3.57	-63.52
O=C(C[N@@H+]1CC2CCC1C2)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725120	0	53	0.0	-64.43	392.61	4.85	-59.58
O=C(C[N@H+]1CC2CCC1C2)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725120	1	53	0.0	-69.38	390.07	4.64	-64.74
CC(C[NH+](C)C)C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725142	0	51	0.0	-65.57	386.75	4.04	-61.53
C[NH+](C)C1(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028725159	0	49	0.0	-63.25	362.81	3.40	-59.85
C[C@H](C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028725185	0	48	0.0	-66.83	363.54	3.18	-63.65
CC[N@@H+]1CCC1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725194	1	49	0.0	-71.89	376.88	3.66	-68.23
CC[N@H+]1CCC1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725194	1	49	0.0	-71.69	376.32	3.65	-68.04
CC(C)[N@@H+]1CCCC(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028725207	0	58	0.0	-60.73	412.23	5.36	-55.37
CC(C)[N@H+]1CCCC(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028725207	1	58	0.0	-66.34	414.73	5.40	-60.94
CCC(C)(C)[NH2+]C(C)C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725222	0	57	0.0	-64.97	399.96	3.31	-61.66
C#CC[N@H+]1CCCCC1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725266	1	54	0.0	-59.33	412.14	5.58	-53.75
C#CC[N@@H+]1CCCCC1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725266	1	54	0.0	-59.18	412.12	5.60	-53.58
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725267	1	51	0.0	-61.76	398.36	3.49	-58.27
NC1=CC=[NH+]C=C1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725268	0	45	0.0	-66.94	357.23	0.84	-66.10
CCCC(C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028725277	0	54	0.0	-72.37	395.27	4.48	-67.89
C[NH+](C)C(C)(C)C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725284	0	51	0.0	-72.09	367.64	3.39	-68.70
CC(CC[NH+](C)C)C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725303	0	54	0.0	-64.36	408.41	4.66	-59.70
O=C(NC1CC2CCC1N(C(=O)C13CC(C1)C[N@@H+]3C1CC1)C2)C1=CC(=O)[N-]O1	REAL300028725374	0	54	0.0	-68.38	403.05	5.45	-62.93
O=C(NC1CC2CCC1N(C(=O)C13CC(C1)C[N@H+]3C1CC1)C2)C1=CC(=O)[N-]O1	REAL300028725374	1	54	0.0	-67.00	394.92	5.77	-61.23
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725413	0	55	0.0	-59.59	406.59	4.54	-55.05
C[N@H+]1CC(C)(C)CC1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725413	1	55	0.0	-63.50	401.70	4.44	-59.06
C[NH+](C)CCCCCC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725418	0	57	0.0	-69.12	435.41	5.89	-63.23
O=C(CC[NH+]1CCC(O)CC1)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725422	0	56	0.0	-77.05	421.14	1.85	-75.20
CCC[N@@H+]1CCCCC1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725426	0	58	0.0	-69.43	417.35	5.36	-64.07
CCC[N@H+]1CCCCC1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725426	1	58	0.0	-70.41	417.25	5.38	-65.03
C[NH+]1CCN(CC(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028725436	1	54	0.0	-67.96	407.89	2.44	-65.52
CC1C[N@H+](C)CC(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300028725538	1	53	0.0	-74.88	399.42	3.64	-71.24
CC1C[N@@H+](C)CC(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300028725538	1	53	0.0	-72.30	391.39	3.48	-68.82
CCC1CCC[N@H+](CC(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028725571	0	58	0.0	-69.78	419.49	5.33	-64.45
CCC1CCC[N@@H+](CC(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028725571	1	58	0.0	-72.34	426.93	5.83	-66.51
C[NH+](C)CC1=CC=C(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300028725580	0	53	0.0	-82.98	409.54	4.55	-78.43
O=C(C[NH+]1CC2CC2C1)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725595	0	50	0.0	-65.67	383.11	4.78	-60.89
O=C(CC1([NH+]2CCCC2)CC1)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725608	0	56	0.0	-63.31	413.98	5.70	-57.61
C[N@@H+]1CCCCC1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725647	0	52	0.0	-60.54	377.38	4.25	-56.29
C[N@H+]1CCCCC1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725647	1	52	0.0	-70.09	378.42	4.01	-66.08
C[N@@H+]1CCC(=CC(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028725770	0	50	0.0	-69.61	385.24	4.50	-65.11
C[N@H+]1CCC(=CC(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028725770	1	50	0.0	-75.95	383.70	4.25	-71.70
O=C(CNC1=CC=[NH+]C=C1)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725775	0	48	0.0	-67.47	384.33	2.19	-65.28
CC[NH+]1CCN(CC(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028725832	0	57	0.0	-66.75	425.13	3.09	-63.66
O=C(C=C1C[NH+]2CCC1CC2)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725835	0	54	0.0	-61.22	403.91	5.34	-55.88
C[NH+](C)C1(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300028725873	0	55	0.0	-58.12	381.83	4.07	-54.05
C[N@H+](CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300028725884	0	56	0.0	-68.85	416.99	1.93	-66.92
C[N@@H+](CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300028725884	1	56	0.0	-63.14	419.18	2.31	-60.83
CCC1C[NH+](CC(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028725890	1	52	0.0	-67.00	401.54	4.80	-62.20
O=C(NC1CC2CCC1N(C(=O)C1([NH+]3CCCC3)CCC1)C2)C1=CC(=O)[N-]O1	REAL300028725894	0	56	0.0	-67.42	397.45	4.64	-62.78
C[N@@H+]1CCC[C@H]1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725908	0	49	0.0	-68.65	366.62	3.45	-65.20
C[N@H+]1CCC[C@H]1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725908	1	49	0.0	-72.36	364.09	3.21	-69.15
CCN1CCOCC1CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725939	0	56	0.0	-75.29	409.10	3.05	-72.24
CC[N@@H+]1CCOCC1CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725939	1	56	0.0	-71.71	416.16	3.44	-68.27
CC[N@H+]1CCOCC1CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725939	1	56	0.0	-71.71	416.16	3.44	-68.27
NC1=NC2=CC(C(=O)N3CC4CCC3C(NC(=O)C3=CC(=O)[N-]O3)C4)=CC=C2N1	REAL300028726029	0	49	0.0	-72.52	386.19	3.60	-68.92
NC1=[NH+]C2=CC(C(=O)N3CC4CCC3C(NC(=O)C3=CC(=O)[N-]O3)C4)=CC=C2N1	REAL300028726029	1	49	0.0	-72.52	386.19	3.60	-68.92
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028726067	0	52	0.0	-62.27	396.91	4.63	-57.64
C[NH+](C)C1CCC(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028726082	0	58	0.0	-58.33	417.36	5.61	-52.72
C[NH+](C)CCC1(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028726083	0	55	0.0	-69.50	415.07	4.97	-64.53
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028726085	0	58	0.0	-67.89	414.42	5.23	-62.66
C[N@@H+]1CC=CCC1CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028726086	0	53	0.0	-62.33	394.76	4.95	-57.38
C[N@H+]1CC=CCC1CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028726086	1	53	0.0	-62.33	394.76	4.95	-57.38
CC1=CC(C=CC(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)=CN=C1N	REAL300028726136	0	52	0.0	-70.80	412.80	3.88	-66.92
CC1=CC(C=CC(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)=C[NH+]=C1N	REAL300028726136	1	52	0.0	-70.80	412.80	3.88	-66.92
C[NH+](C)CCOCC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028726149	0	52	0.0	-68.04	404.42	4.05	-63.99
CCCCC[N@H+](C)CCC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028726155	0	60	0.0	-69.42	453.21	6.49	-62.93
CCCCC[N@@H+](C)CCC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028726155	1	60	0.0	-69.42	453.21	6.49	-62.93
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300028726167	0	56	0.0	-66.75	422.82	4.75	-62.00
[NH2+]=C1SC=CN1CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028726192	0	45	0.0	-68.51	372.90	2.90	-65.61
C[C@@H](OCC[NH+](C)C)C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028726266	0	55	0.0	-69.33	419.22	4.43	-64.90
O=C(CC[NH+]1CCCCCC1)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028726310	0	58	0.0	-70.60	422.64	5.58	-65.02
O=C(C[NH+]1CCCCC1)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028726314	0	52	0.0	-65.55	390.18	4.80	-60.75
C[N@@H+]1CCCC(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028726316	0	52	0.0	-62.05	377.79	4.19	-57.86
C[N@H+]1CCCC(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028726316	1	52	0.0	-73.93	380.54	4.23	-69.70
O=C(C[NH+]1CCC(CO)CC1)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028726317	0	56	0.0	-67.67	421.96	2.08	-65.59
O=C(C[NH+]1CCCCCC1)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028726320	0	55	0.0	-64.22	399.87	4.99	-59.23
CN1C=C[N+](CC(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028726325	0	47	0.0	-61.43	379.84	6.43	-55.00
C[NH+](C)CC1=CC=C(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300028726343	1	52	0.0	-78.54	409.54	4.77	-73.77
C[NH+](C)CC1=CC=C(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C=N1	REAL300028726349	0	54	0.0	-80.94	413.72	4.19	-76.75
O=C(C[NH+]1CCC(O)CC1)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028726363	1	53	0.0	-70.92	401.26	1.45	-69.47
C[N@@H+](CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300028726368	1	49	0.0	-69.75	375.44	4.15	-65.60
CC(C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)N1CC[NH+](C)CC1	REAL300028726370	1	57	0.0	-62.01	423.39	2.79	-59.22
O=C(CC[N@@H+]1CCC(F)C1)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028726373	1	52	0.0	-79.16	400.39	4.56	-74.60
COC1C[N@@H+](C)C(C)(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028726384	1	56	0.0	-65.45	404.31	2.86	-62.59
CC(CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300028726404	0	54	0.0	-67.38	405.79	4.95	-62.43
O=C(NC1CC2CCC1N(C(=O)C1CC[N@@H+]3CCOCC13)C2)C1=CC(=O)[N-]O1	REAL300028726420	0	54	0.0	-70.09	397.78	2.90	-67.19
O=C(NC1CC2CCC1N(C(=O)C1CC[N@H+]3CCOCC13)C2)C1=CC(=O)[N-]O1	REAL300028726420	1	54	0.0	-68.75	403.38	3.05	-65.70
CC1=[NH+]C=C2C=CC(C(=O)N3CC4CCC3C(NC(=O)C3=CC(=O)[N-]O3)C4)=CN21	REAL300028726425	0	50	0.0	-69.36	401.38	5.86	-63.50
CN1CCOCC1CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028726442	0	53	0.0	-79.83	396.11	2.56	-77.27
C[N@@H+]1CCOCC1CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028726442	1	53	0.0	-79.90	396.08	2.55	-77.35
C[N@H+]1CCOCC1CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028726442	1	53	0.0	-79.83	396.11	2.56	-77.27
CC[NH+]1CCN(CC(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028726450	0	57	0.0	-66.75	425.13	3.09	-63.66
CC1=CC(N)=[NH+]C=C1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028726505	1	48	0.0	-71.66	378.18	2.18	-69.48
NC1=CC=C(CCC(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C=[NH+]1	REAL300028726508	0	51	0.0	-64.68	407.56	3.46	-61.22
CC1(O)CC[N@@H+](CC(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028726549	1	53	0.0	-65.35	404.73	1.32	-64.03
C[NH+]1CC(CC(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028726584	0	49	0.0	-68.92	380.05	3.77	-65.15
O=C(NC1CC2CCC1N(C(=O)C1CC[N@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300028726589	1	56	0.0	-68.84	421.06	5.72	-63.12
C[NH+](C)CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028726597	0	45	0.0	-66.15	348.55	2.94	-63.21
C[N@H+](CCO)CCC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028726626	0	52	0.0	-66.69	399.07	0.96	-65.73
C[N@@H+](CCO)CCC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028726626	1	52	0.0	-66.28	398.95	0.96	-65.32
C[C@@H](C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028726627	0	48	0.0	-62.65	364.32	3.26	-59.39
C[N@@H+]1CCCCC1CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028726649	0	55	0.0	-76.12	404.77	4.94	-71.18
C[N@H+]1CCCCC1CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028726649	1	55	0.0	-68.41	407.37	5.16	-63.25
CC1=C2C=C(C(=O)N3CC4CCC3C(NC(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300028726671	1	50	0.0	-74.25	402.01	6.68	-67.57
CC(C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CC(C)C1	REAL300028726672	0	52	0.0	-59.71	383.64	4.22	-55.49
CC1CCN1CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028726676	0	49	0.0	-63.95	380.08	4.00	-59.95
CC1CC[N@@H+]1CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028726676	1	49	0.0	-65.23	379.93	4.07	-61.16
CC1CC[N@H+]1CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028726676	1	49	0.0	-63.95	380.08	4.00	-59.95
C[NH+](C)CC=CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028726690	0	49	0.0	-72.36	384.87	4.15	-68.21
CC1(C)C[NH+](CC(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028726703	1	52	0.0	-66.17	399.48	4.57	-61.60
CC1=C(C)[NH+]=C(CCC(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300028726722	1	53	0.0	-61.54	418.78	4.26	-57.28
CC1=C2C=C(C(=O)N3CC4CCC3C(NC(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300028726733	1	50	0.0	-74.25	402.01	6.68	-67.57
C[NH+](C)CCSCC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028726743	0	52	0.0	-73.02	415.44	4.92	-68.10
O=C(C[N@@H+]1CCCC1CO)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028726769	1	53	0.0	-64.73	401.76	1.54	-63.19
CC[NH+](CC)CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028726773	0	51	0.0	-64.42	379.59	4.00	-60.42
C[N@@H+](CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300028726784	1	53	0.0	-78.83	405.39	4.96	-73.87
O=C(C[NH+]1CCC1)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028726786	1	46	0.0	-72.25	356.40	3.17	-69.08
CC[NH+](CC)CCC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028726837	0	54	0.0	-66.74	406.50	4.90	-61.84
C[NH+](C)CC1=CNC(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028726904	0	53	0.0	-69.40	409.33	4.47	-64.93
CC(C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC(O)CC1	REAL300028726923	0	56	0.0	-69.69	416.28	1.73	-67.96
O=C(NC1CC2CCC1N(C(=O)C1CC3COCC[N@@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300028726929	0	54	0.0	-68.86	402.73	3.06	-65.80
O=C(NC1CC2CCC1N(C(=O)C1CC3COCC[N@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300028726929	1	54	0.0	-71.31	399.73	2.85	-68.46
CC(C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300028726944	1	49	0.0	-68.14	367.40	3.55	-64.59
CCC(CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300028726951	0	57	0.0	-69.44	423.38	5.59	-63.85
NC1=CC=C(C=CC(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C=[NH+]1	REAL300028726958	0	49	0.0	-71.71	395.00	3.12	-68.59
C[NH+](C)CC(C)(C)C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028726959	0	54	0.0	-62.26	381.13	4.65	-57.61
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028727023	0	52	0.0	-70.18	378.12	3.96	-66.22
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028727023	1	52	0.0	-69.59	384.25	4.19	-65.40
CC1CN2CC[N@@H+]1CC2C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028727038	0	55	0.0	-64.75	397.05	1.56	-63.19
CC1CN2CC[N@H+]1CC2C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028727038	1	55	0.0	-79.90	394.36	1.33	-78.57
C[NH+](C)CC(O)CC(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028727059	0	52	0.0	-70.99	401.31	1.94	-69.05
C[NH+]1C2CCC1CC(C(=O)N1CC3CCC1C(NC(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300028727062	0	56	0.0	-70.16	379.16	4.49	-65.67
C=CCC(C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028727095	0	52	0.0	-68.45	385.28	4.03	-64.42
O=C(NC1CC2CCC1N(C(=O)C1CC3CCCC[N@@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300028727105	0	56	0.0	-72.93	408.85	5.24	-67.69
O=C(NC1CC2CCC1N(C(=O)C1CC3CCCC[N@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300028727105	1	56	0.0	-71.62	409.02	5.24	-66.38
C[NH+]1CCC(C)(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028727116	0	55	0.0	-71.06	389.59	4.79	-66.27
C[NH+]1CCC(O)(CC(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028727118	0	56	0.0	-60.18	416.52	3.37	-56.81
CC1=C2C=C(C(=O)NC3CC4CCC3N(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300028727200	1	50	0.0	-61.35	397.73	6.87	-54.48
C[NH+](C)CCSCC(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028727209	0	52	0.0	-80.77	409.65	4.52	-76.25
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2COCC[N@@H+]2C1	REAL300028727217	0	54	0.0	-61.02	404.10	3.08	-57.94
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2COCC[N@H+]2C1	REAL300028727217	1	54	0.0	-77.58	401.28	2.88	-74.70
C[N@@H+]1CCCC1C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028727376	0	46	0.0	-63.40	355.86	-0.11	-63.51
C[N@H+]1CCCC1C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028727376	1	46	0.0	-63.51	360.92	0.43	-63.08
C[N@@H+]1CCOC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028727400	1	47	0.0	-64.88	366.99	-0.56	-65.44
C[N@H+]1CCOC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028727400	1	47	0.0	-62.02	366.20	-0.37	-62.39
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028727581	1	53	0.0	-58.82	422.20	2.29	-56.53
CC(C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300028727588	0	55	0.0	-63.28	406.02	1.75	-61.53
CC(C)[N@@H+]1CCCCC1C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028727590	0	55	0.0	-61.19	402.87	1.91	-59.28
CC(C)[N@H+]1CCCCC1C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028727590	1	55	0.0	-62.35	402.91	1.92	-60.43
CC(C)[N@@H+]1CCCC1C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028727620	0	52	0.0	-59.14	395.67	1.25	-57.89
CC(C)[N@H+]1CCCC1C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028727620	1	52	0.0	-59.14	395.52	1.26	-57.88
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1CC2CCCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300028727644	0	53	0.0	-61.16	404.01	1.89	-59.27
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1CC2CCCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300028727644	1	53	0.0	-61.19	404.08	1.88	-59.31
CC(C)C1=[NH+]C=CN1CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028727675	1	50	0.0	-62.26	401.68	2.07	-60.19
CC1=[NH+]C=CN1CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028727725	1	44	0.0	-62.88	365.34	0.94	-61.94
CC(C[NH+]1CCOCC1)C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028727727	0	53	0.0	-68.74	407.23	0.06	-68.68
O=C(CCC[NH+]1CCCCC1)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028727749	0	55	0.0	-67.51	421.43	2.57	-64.94
CC(C)(C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300028727774	0	55	0.0	-63.59	403.06	2.35	-61.24
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1C[NH+]2CCC1CC2)C1=CC(=O)[N-]O1	REAL300028727792	0	50	0.0	-64.99	377.92	0.93	-64.06
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1CCCC2CCC[N@@H+]21)C1=CC(=O)[N-]O1	REAL300028727846	0	53	0.0	-57.75	401.36	1.96	-55.79
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1CCCC2CCC[N@H+]21)C1=CC(=O)[N-]O1	REAL300028727846	1	53	0.0	-59.48	392.87	1.69	-57.79
C[NH+](C)CCN1C=C(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C=N1	REAL300028727848	0	52	0.0	-73.72	421.04	0.63	-73.09
C[NH+](C)CCN1C=CC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=N1	REAL300028727862	0	52	0.0	-68.13	421.44	0.67	-67.46
C[C@@H]1[C@H](C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028727868	0	49	0.0	-64.44	374.31	0.35	-64.09
C[C@@H]1[C@H](C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028727868	1	49	0.0	-69.00	375.75	0.72	-68.28
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028727871	1	53	0.0	-58.94	422.68	2.34	-56.60
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028727874	0	52	0.0	-64.44	393.45	0.84	-63.60
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028727874	1	52	0.0	-62.75	397.61	1.37	-61.38
CC[N@@H+]1CCOC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028727898	1	50	0.0	-73.60	383.96	0.27	-73.33
CC[N@H+]1CCOC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028727898	1	50	0.0	-61.96	383.97	0.27	-61.69
CC[NH+](CC)CC(F)C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028727955	0	51	0.0	-63.37	396.00	0.87	-62.50
C[NH+](C)CC1=C(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)SC=C1	REAL300028727956	0	49	0.0	-62.28	402.57	1.74	-60.54
CC1CCC(C)[NH+]1CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028728054	0	52	0.0	-61.56	384.38	0.76	-60.80
O=C(CCC[NH+]1CCCC1)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028728061	0	52	0.0	-67.21	405.76	1.86	-65.35
C[NH+](C)CC1=CC=CC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300028728062	0	52	0.0	-69.47	414.90	2.62	-66.85
C#CC[NH+]1CCC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028728069	0	51	0.0	-70.52	405.68	2.19	-68.33
O=C(CC[NH+]1CCCCC1)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028728070	0	52	0.0	-67.61	399.94	1.76	-65.85
C[NH+](C)CC1=CC=CC=C1C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028728074	0	52	0.0	-61.66	406.52	3.12	-58.54
CC[N@@H+]1CCCCC1C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028728083	0	52	0.0	-62.69	386.28	1.42	-61.27
CC[N@H+]1CCCCC1C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028728083	1	52	0.0	-60.70	395.71	1.58	-59.12
CC(C)C(C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300028728084	0	58	0.0	-59.23	424.87	3.45	-55.78
C[NH+](C)C(C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300028728087	1	52	0.0	-62.33	410.66	2.83	-59.50
CC(C)C[N@@H+]1CCC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028728110	0	55	0.0	-63.62	421.58	2.08	-61.54
CC(C)C[N@H+]1CCC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028728110	1	55	0.0	-66.89	421.61	2.25	-64.64
C[NH+](C)C1(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300028728114	0	49	0.0	-60.85	369.34	0.68	-60.17
C[NH+](C)C(CN1C=CC=N1)C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028728116	1	52	0.0	-69.65	412.31	1.04	-68.61
CC(C)[N@@H+]1CCCC1CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028728121	0	55	0.0	-59.17	408.28	1.30	-57.87
CC(C)[N@H+]1CCCC1CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028728121	1	55	0.0	-58.49	406.74	1.44	-57.05
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1CCC[N@@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300028728122	0	56	0.0	-59.33	423.88	2.75	-56.58
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1CCC[N@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300028728122	1	56	0.0	-60.72	415.08	2.54	-58.18
CC(C)[C@@H](C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028728143	0	51	0.0	-66.46	378.59	1.71	-64.75
C[N@H+](CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300028728204	0	49	0.0	-61.98	382.86	1.13	-60.85
C[N@@H+](CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300028728204	1	49	0.0	-62.16	382.84	1.12	-61.04
CC(C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300028728284	0	55	0.0	-58.00	409.47	1.48	-56.52
CN(CCC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1=CC=[NH+]C=C1	REAL300028728352	0	51	0.0	-66.53	410.65	1.00	-65.53
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028728364	1	48	0.0	-66.09	382.53	1.12	-64.97
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028728364	1	48	0.0	-65.84	387.30	1.62	-64.22
C[N@@H+]1CCCC1CCC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028728373	0	52	0.0	-64.68	398.62	1.17	-63.51
C[N@H+]1CCCC1CCC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028728373	1	52	0.0	-64.62	398.66	1.16	-63.46
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2)C1=CC(=O)[N-]O1	REAL300028728385	0	53	0.0	-67.18	393.31	1.55	-65.63
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1CCC2CCCC[N@@H+]21)C1=CC(=O)[N-]O1	REAL300028728393	0	53	0.0	-64.51	396.72	1.82	-62.69
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1CCC2CCCC[N@H+]21)C1=CC(=O)[N-]O1	REAL300028728393	1	53	0.0	-59.27	397.47	1.63	-57.64
CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028728401	0	56	0.0	-63.55	417.56	0.23	-63.32
O=C(CCCC[NH+]1CCCC1)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028728421	0	55	0.0	-65.34	428.07	2.45	-62.89
C[N@H+](CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300028728423	1	52	0.0	-67.11	413.40	2.74	-64.37
C[N@@H+](CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300028728423	1	52	0.0	-71.74	412.57	2.93	-68.81
C[NH+]1CCC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028728438	0	49	0.0	-68.03	380.54	1.01	-67.02
C[NH+](C)CC1=CC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=NO1	REAL300028728495	1	48	0.0	-72.63	395.06	0.38	-72.25
CC1=C(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300028728497	0	47	0.0	-64.47	381.05	3.02	-61.45
C[N@@H+]1CCCCC1C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028728536	0	49	0.0	-65.82	377.89	0.94	-64.88
C[N@H+]1CCCCC1C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028728536	1	49	0.0	-62.28	369.37	0.57	-61.71
CC(C)C[N@@H+]1CCCC1C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028728566	0	55	0.0	-63.23	414.92	2.00	-61.23
CC(C)C[N@H+]1CCCC1C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028728566	1	55	0.0	-61.21	410.05	1.45	-59.76
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC(=O)[N-]O1	REAL300028728712	0	44	0.0	-65.61	366.89	2.64	-62.97
CC1=[NH+]C=CN1CCCC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028728724	1	50	0.0	-62.40	407.75	2.04	-60.36
O=C(CCCC[NH+]1CCOCC1)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028728728	1	56	0.0	-70.59	434.19	0.92	-69.67
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028728734	0	52	0.0	-71.68	414.05	2.84	-68.84
O=C(CC[NH+]1CCOCC1)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028728735	1	50	0.0	-71.19	391.20	-0.67	-71.86
CCC[NH+](CCC)CCCC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028728758	0	60	0.0	-67.69	458.47	3.54	-64.15
CC1=C[NH+]=CN1CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028728778	1	44	0.0	-67.66	365.70	1.68	-65.98
O=C(CN1C=[NH+]C2=C1CCCC2)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028728787	1	51	0.0	-62.49	408.32	3.22	-59.27
C[NH+](C)CC1(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL300028728829	0	58	0.0	-64.29	421.38	2.78	-61.51
C[N@H+](CCC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300028728835	0	58	0.0	-69.14	434.33	2.94	-66.20
C[N@@H+](CCC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300028728835	1	58	0.0	-68.50	434.33	2.94	-65.56
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C12CCC[NH+]1CCC2)C1=CC(=O)[N-]O1	REAL300028728838	0	50	0.0	-57.80	381.33	1.12	-56.68
C[NH+](C)C1CCCC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028728877	0	55	0.0	-63.45	409.04	1.82	-61.63
C[N@@H+]1CCC(CC(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028728881	0	49	0.0	-70.25	382.46	0.94	-69.31
C[N@H+]1CCC(CC(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028728881	1	49	0.0	-66.37	383.05	0.75	-65.62
CN(C)C1=CC=[NH+]C=C1C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028728894	0	48	0.0	-63.88	387.47	-0.04	-63.92
CCC(C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028728900	0	48	0.0	-62.97	366.42	0.32	-62.65
C[NH+](C)C1(CC(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300028728920	0	55	0.0	-58.82	402.53	2.03	-56.79
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC(=O)[N-]O1	REAL300028728981	1	44	0.0	-66.55	367.18	2.65	-63.90
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1)C1=CC(=O)[N-]O1	REAL300028729022	1	47	0.0	-69.39	396.43	0.58	-68.81
C[NH+](C)CCCCC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028729053	0	51	0.0	-68.96	401.28	1.46	-67.50
CC(C)C(C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028729074	0	51	0.0	-67.44	380.27	0.86	-66.58
CCC[N@H+](C)CCC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028729076	0	51	0.0	-69.04	397.51	1.29	-67.75
CCC[N@@H+](C)CCC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028729076	1	51	0.0	-68.76	397.51	1.29	-67.47
CCC[N@H+](C)CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028729082	0	48	0.0	-64.05	375.97	0.56	-63.49
CCC[N@@H+](C)CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028729082	1	48	0.0	-67.63	375.15	0.76	-66.87
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C12CC[N@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300028729111	0	50	0.0	-66.37	377.88	0.54	-65.83
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C12CC[N@@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300028729111	1	50	0.0	-68.34	377.50	0.55	-67.79
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028729169	0	46	0.0	-63.39	355.95	-0.10	-63.49
C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028729169	1	46	0.0	-61.28	362.99	0.22	-61.06
CC1CC2CCC(C(=O)N[C@H]3CCOC[C@H]3NC(=O)C3=CC(=O)[N-]O3)C[N@@H+]2C1	REAL300028729194	0	56	0.0	-59.22	418.03	2.91	-56.31
CC1CC2CCC(C(=O)N[C@H]3CCOC[C@H]3NC(=O)C3=CC(=O)[N-]O3)C[N@H+]2C1	REAL300028729194	1	56	0.0	-65.26	424.22	2.66	-62.60
CCCCCC[N@H+](C)CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028729239	0	57	0.0	-68.62	439.64	3.10	-65.52
CCCCCC[N@@H+](C)CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028729239	1	57	0.0	-65.07	440.47	2.91	-62.16
CC[NH+](CC)C(C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300028729247	0	57	0.0	-66.54	411.47	2.32	-64.22
CC[NH+](CC)CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028729256	0	48	0.0	-62.21	368.32	0.23	-61.98
CCC[N@@H+]1CCCC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028729289	0	55	0.0	-63.62	420.45	2.15	-61.47
CCC[N@H+]1CCCC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028729289	1	55	0.0	-60.40	414.20	2.37	-58.03
CC(C)[N@@H+]1CCOC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028729311	1	53	0.0	-71.33	399.82	0.76	-70.57
CC(C)[N@H+]1CCOC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028729311	1	53	0.0	-61.95	401.57	0.59	-61.36
CC1CC[NH+](CC(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028729349	0	52	0.0	-67.69	398.49	1.83	-65.86
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300028729377	1	47	0.0	-74.00	395.21	0.77	-73.23
C[NH+]1CCC(OCC(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028729386	0	53	0.0	-71.68	415.90	1.44	-70.24
C[NH+](C)CC1(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028729402	0	49	0.0	-73.61	381.01	1.60	-72.01
CC1=[NH+]C=C2CCC(C(=O)N[C@H]3CCOC[C@H]3NC(=O)C3=CC(=O)[N-]O3)CN21	REAL300028729403	1	51	0.0	-61.50	404.30	2.10	-59.40
CC(C)[NH+]1CCC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028729499	0	55	0.0	-68.80	414.83	2.18	-66.62
C[NH+]1CCC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028729527	0	49	0.0	-68.03	380.54	1.01	-67.02
CC(C)[C@H](C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028729548	0	51	0.0	-62.53	381.03	0.89	-61.64
CCC(C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300028729583	0	54	0.0	-60.37	402.56	1.62	-58.75
CC[N@H+](C)CCC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028729666	0	48	0.0	-68.22	376.02	0.55	-67.67
CC[N@@H+](C)CCC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028729666	1	48	0.0	-68.11	376.02	0.54	-67.57
CC1CCC[N@@H+]1CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028729735	0	49	0.0	-64.55	380.87	1.01	-63.54
CC1CCC[N@H+]1CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028729735	1	49	0.0	-64.67	380.85	1.02	-63.65
CC1CC[N@H+](CC(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028729737	0	49	0.0	-66.77	382.19	0.99	-65.78
CC1CC[N@@H+](CC(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028729737	1	49	0.0	-62.94	382.86	0.91	-62.03
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028729738	0	55	0.0	-60.49	415.73	1.55	-58.94
CC(C)(C)[N@H+]1CCC(F)(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028729738	1	55	0.0	-61.55	418.55	1.47	-60.08
CC1=[NH+]C=C2CC(C(=O)N[C@H]3CCOC[C@H]3NC(=O)C3=CC(=O)[N-]O3)CCN21	REAL300028729740	1	51	0.0	-65.08	404.42	2.07	-63.01
CC1(C)CC[N@H+](CC(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028729743	0	52	0.0	-66.61	400.96	1.59	-65.02
CC1(C)CC[N@@H+](CC(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028729743	1	52	0.0	-62.81	402.31	1.40	-61.41
C[N@H+](CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300028729744	0	54	0.0	-66.69	405.55	1.82	-64.87
C[N@@H+](CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300028729744	1	54	0.0	-67.36	406.06	1.91	-65.45
CC[C@@H](C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028729755	0	48	0.0	-65.65	366.17	0.35	-65.30
CC(COCC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCC1	REAL300028729763	0	56	0.0	-63.71	434.53	2.10	-61.61
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1CC[NH+](CC2CC2)CC1)C1=CC(=O)[N-]O1	REAL300028729848	0	56	0.0	-67.46	427.07	2.95	-64.51
C[NH+]1CCC(O)(CC(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028729989	0	53	0.0	-66.91	407.31	-0.56	-67.47
COCC[N@@H+]1CCCC1CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028729996	0	56	0.0	-57.87	427.25	1.05	-56.82
COCC[N@H+]1CCCC1CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028729996	1	56	0.0	-65.68	433.66	0.73	-64.95
C[NH+](C)CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730004	0	42	0.0	-64.62	336.73	-0.86	-65.48
O=C(C[NH+]1CCC(CO)CC1)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730009	1	53	0.0	-69.33	409.73	-1.48	-70.81
O=C(C[NH+]1CCCCCC1)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730013	0	52	0.0	-63.19	387.72	1.19	-62.00
CN1C=C[N+](CC(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300028730018	0	44	0.0	-62.05	367.98	2.66	-59.39
C[N@@H+]1CCCC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028730029	0	49	0.0	-64.77	381.33	0.74	-64.03
C[N@H+]1CCCC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028730029	1	49	0.0	-61.04	375.07	0.97	-60.07
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1CCC[N@@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300028730034	0	50	0.0	-58.40	392.61	1.63	-56.77
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1CCC[N@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300028730034	1	50	0.0	-58.88	389.22	1.51	-57.37
CC(C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300028730069	1	46	0.0	-61.58	367.04	0.10	-61.48
CCC(CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300028730078	0	54	0.0	-66.65	408.25	1.62	-65.03
C[NH+](C)CC(C)(C)C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730086	0	51	0.0	-62.63	383.92	1.06	-61.57
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1=CC(=O)[N-]O1	REAL300028730106	0	51	0.0	-65.88	392.68	1.58	-64.30
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1=CC(=O)[N-]O1	REAL300028730106	1	51	0.0	-62.33	388.38	2.49	-59.84
O=C(C[NH+]1CCC(O)CC1)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730126	1	50	0.0	-71.88	389.14	-2.13	-74.01
C[N@H+](CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028730127	0	46	0.0	-61.48	366.01	0.55	-60.93
C[N@@H+](CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028730127	1	46	0.0	-65.38	365.33	0.75	-64.63
CC(C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300028730128	1	54	0.0	-66.17	409.98	-1.02	-67.19
C[NH+]1CC(CC(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028730153	0	46	0.0	-65.67	368.01	-0.03	-65.70
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1CC[N@@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300028730157	0	53	0.0	-65.44	400.82	1.80	-63.64
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1CC[N@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300028730157	1	53	0.0	-61.83	401.98	1.59	-60.24
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730165	0	52	0.0	-62.60	397.26	1.05	-61.55
CC(C)(C)[N@H+]1CCC1C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730165	1	52	0.0	-60.53	382.56	0.27	-60.26
C[C@@H](C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028730178	0	45	0.0	-66.85	354.02	-0.25	-67.10
CCC1CCC[N@H+](CC(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028730227	0	55	0.0	-67.26	409.89	2.42	-64.84
CCC1CCC[N@@H+](CC(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028730227	1	55	0.0	-67.49	416.90	2.46	-65.03
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)N1	REAL300028730236	0	50	0.0	-75.05	402.49	0.78	-74.27
C[NH+]1C2CCC1CC(CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028730250	0	56	0.0	-64.50	402.79	1.58	-62.92
[NH2+]=C1SC=CN1CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730294	0	42	0.0	-64.27	362.99	-0.48	-64.75
C[N@H+](CCO)CCC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730307	0	49	0.0	-67.40	386.37	-2.68	-70.08
C[N@@H+](CCO)CCC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730307	1	49	0.0	-64.77	387.14	-2.86	-67.63
C[C@@H](C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028730308	0	45	0.0	-66.85	354.02	-0.25	-67.10
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730312	0	49	0.0	-62.15	369.39	0.56	-61.59
C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730312	1	49	0.0	-60.92	378.70	0.75	-60.17
CC1CN2CC[N@@H+]1CC2C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730322	0	52	0.0	-73.04	388.75	-1.67	-74.71
CC1CN2CC[N@H+]1CC2C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730322	1	52	0.0	-63.66	389.59	-1.90	-65.56
COC1C[N@@H+]2CCCC2(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028730366	0	54	0.0	-58.93	416.06	0.11	-58.82
COC1C[N@H+]2CCCC2(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028730366	1	54	0.0	-62.57	410.80	0.53	-62.04
O=C(CC1=CC2=C[NH+]=CN2C=C1)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730381	0	47	0.0	-66.47	390.34	3.52	-62.95
C[N@H+](CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300028730409	0	50	0.0	-69.05	396.23	1.39	-67.66
C[N@@H+](CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300028730409	1	50	0.0	-69.17	396.00	1.38	-67.79
C[NH+](C)CC1=CC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=CC=N1	REAL300028730447	1	51	0.0	-66.40	410.93	0.79	-65.61
C[N@@H+]1CCC(=CC(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028730449	0	47	0.0	-70.03	373.80	0.93	-69.10
C[N@H+]1CCC(=CC(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028730449	1	47	0.0	-68.46	375.60	0.68	-67.78
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1C[NH+](C2CCCCC2)C1)C1=CC(=O)[N-]O1	REAL300028730475	0	56	0.0	-68.23	428.20	2.70	-65.53
C[NH+](C)CCOCC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730491	0	49	0.0	-65.11	392.61	0.21	-64.90
CCCCC[N@H+](C)CCC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730498	0	57	0.0	-66.46	441.34	2.67	-63.79
CCCCC[N@@H+](C)CCC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730498	1	57	0.0	-69.71	440.51	2.84	-66.87
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)O1	REAL300028730508	0	53	0.0	-66.52	413.94	1.35	-65.17
C=CCC(C)(C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028730518	0	52	0.0	-67.26	386.35	1.10	-66.16
C[S+](C)CCC(O)C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730523	0	48	0.0	-61.86	401.58	-1.20	-63.06
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730556	0	50	0.0	-72.22	379.31	-2.57	-74.79
CN1CC[N@H+](C)CC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028730571	0	54	0.0	-63.14	407.99	-1.10	-64.24
CN1CC[N@@H+](C)CC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028730571	1	54	0.0	-63.14	407.99	-1.10	-64.24
CC(C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300028730572	0	53	0.0	-62.58	404.91	-1.55	-64.13
O=C(CN1CCC(CO)CC1)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730587	0	53	0.0	-69.33	409.73	-1.48	-70.81
O=C(C[NH+]1CCC(CO)CC1)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730587	1	53	0.0	-69.33	409.73	-1.48	-70.81
C[N@@H+]1CCCC(O)(CC(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028730597	0	53	0.0	-66.26	393.68	-0.41	-66.67
C[N@H+]1CCCC(O)(CC(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028730597	1	53	0.0	-66.26	393.68	-0.41	-66.67
CC1CN(CC(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028730601	0	46	0.0	-63.66	367.99	0.24	-63.42
CC1C[NH+](CC(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028730601	1	46	0.0	-63.66	367.99	0.24	-63.42
NC(=O)C1CCN(CC(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028730606	0	53	0.0	-75.80	413.55	-2.12	-77.92
NC(=O)C1CC[NH+](CC(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028730606	1	53	0.0	-75.80	413.55	-2.12	-77.92
CN(CCO)CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730631	0	46	0.0	-68.72	364.00	-3.24	-71.96
C[N@H+](CCO)CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730631	1	46	0.0	-66.86	363.78	-3.25	-70.11
C[N@@H+](CCO)CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730631	1	46	0.0	-66.86	363.78	-3.25	-70.11
C[NH+]1C2CCC1CC(=CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028730654	0	54	0.0	-66.20	409.78	2.08	-64.12
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1C[N@@H+]2CCN1CCC2)C1=CC(=O)[N-]O1	REAL300028730659	0	52	0.0	-66.38	384.87	-1.56	-67.94
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1C[N@H+]2CCN1CCC2)C1=CC(=O)[N-]O1	REAL300028730659	1	52	0.0	-66.38	384.87	-1.56	-67.94
CC[N@@H+]1CCCC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028730667	0	52	0.0	-62.53	391.91	1.83	-60.70
CC[N@H+]1CCCC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028730667	1	52	0.0	-62.53	391.91	1.83	-60.70
CC(CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300028730669	0	51	0.0	-72.56	393.06	1.32	-71.24
CC[N@H+](C)CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730685	0	45	0.0	-67.17	353.65	0.02	-67.15
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C12CCC[N@@H+]1CCCC2)C1=CC(=O)[N-]O1	REAL300028730713	0	53	0.0	-59.46	392.08	1.61	-57.85
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C12CCC[N@H+]1CCCC2)C1=CC(=O)[N-]O1	REAL300028730713	1	53	0.0	-59.46	392.08	1.61	-57.85
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C12CCC[N@@H+]1CC=CC2)C1=CC(=O)[N-]O1	REAL300028730722	0	51	0.0	-59.25	383.41	1.65	-57.60
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C12CCC[N@H+]1CC=CC2)C1=CC(=O)[N-]O1	REAL300028730722	1	51	0.0	-59.25	383.41	1.65	-57.60
CC[N@H+](CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028730747	0	49	0.0	-61.19	383.09	1.12	-60.07
CC[NH+](CC)CCC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730772	0	51	0.0	-67.31	393.88	1.26	-66.05
O=C(CCCC[NH+]1CCCCC1)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730810	0	58	0.0	-67.71	442.47	3.32	-64.39
CC1(O)CC[N@H+](CC(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028730843	0	50	0.0	-68.45	392.12	-2.25	-70.70
C[NH+](C)CC=CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730855	0	46	0.0	-67.91	373.96	0.41	-67.50
CC(OCC[NH+](C)C)C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730879	0	52	0.0	-66.49	410.78	1.13	-65.36
C[NH+](C)CCOCCC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730890	0	52	0.0	-67.83	412.76	0.13	-67.70
COCC[N@H+](C)CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730891	1	49	0.0	-63.62	386.86	-1.04	-64.66
COCC[N@@H+](C)CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730891	1	49	0.0	-64.22	387.08	-1.02	-65.24
COCCCC[N@H+](C)CCC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730919	0	58	0.0	-72.69	452.68	1.14	-71.55
COCCCC[N@@H+](C)CCC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730919	1	58	0.0	-72.50	452.69	1.13	-71.37
C[NH+](C)C1(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300028730944	0	52	0.0	-61.44	384.12	1.65	-59.79
CC(CCC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028730947	0	51	0.0	-67.31	389.26	1.06	-66.25
CC[N@@H+]1CCC1C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730957	1	46	0.0	-61.64	361.58	-0.14	-61.78
CC[N@H+]1CCC1C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730957	1	46	0.0	-61.63	361.28	-0.22	-61.85
CC(C)[N@@H+]1CCCC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028730968	0	55	0.0	-61.73	415.64	1.92	-59.81
CC(C)[N@H+]1CCCC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028730968	1	55	0.0	-61.80	415.60	1.92	-59.88
O=C(C[N@H+]1CCCC1CO)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730982	0	50	0.0	-62.89	386.36	-2.79	-65.68
O=C(C[N@@H+]1CCCC1CO)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730982	1	50	0.0	-62.28	389.80	-2.30	-64.58
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1CC2CCCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300028731008	0	53	0.0	-61.16	404.01	1.89	-59.27
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1CC2CCCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300028731008	1	53	0.0	-61.19	404.08	1.88	-59.31
C[NH+]1CCC(C)(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028731015	0	52	0.0	-63.62	393.98	1.20	-62.42
C[NH+](C)CC1=CNC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300028731021	0	50	0.0	-66.92	403.13	0.41	-66.51
CC(C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300028731040	1	53	0.0	-63.85	407.62	-1.93	-65.78
C=CCC(C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028731055	0	49	0.0	-64.93	379.34	0.81	-64.12
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028731073	0	52	0.0	-66.18	397.52	1.37	-64.81
C[N@H+]1CC(C)(C)CC1C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028731073	1	52	0.0	-61.90	397.12	0.74	-61.16
C[NH+](C)CCCCCC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028731078	0	54	0.0	-68.56	422.78	2.24	-66.32
O=C(C[NH+]1CC2CC2C1)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028731088	0	47	0.0	-63.29	372.06	1.03	-62.26
CC1C[N@@H+]2CCN1C(C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028731123	0	52	0.0	-65.75	389.72	-1.82	-67.57
CC1C[N@H+]2CCN1C(C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028731123	1	52	0.0	-66.24	389.80	-1.85	-68.09
CCCC(C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028731124	0	51	0.0	-64.36	390.08	1.25	-63.11
C[NH+](C)C(C)(C)C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028731129	0	48	0.0	-68.96	360.82	0.40	-68.56
C[N@@H+]1CCCCC1C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028731179	0	49	0.0	-65.82	377.89	0.94	-64.88
C[N@H+]1CCCCC1C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028731179	1	49	0.0	-62.28	369.37	0.57	-61.71
C[N@H+]1CC=C(CC(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028731229	0	50	0.0	-66.79	395.09	1.66	-65.13
C[N@@H+]1CC=C(CC(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028731229	1	50	0.0	-65.30	395.88	1.47	-63.83
O=C(CC1([NH+]2CCCC2)CC1)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028731239	0	53	0.0	-61.03	402.85	1.89	-59.14
C[N@@H+]1CCCC(C(C)(C)C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028731295	0	58	0.0	-66.58	426.73	2.26	-64.32
C[N@H+]1CCCC(C(C)(C)C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028731295	1	58	0.0	-66.58	426.73	2.26	-64.32
CN(C)CC1=CC=C(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)O1	REAL300028731300	0	49	0.0	-65.47	401.26	0.94	-64.53
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)O1	REAL300028731300	1	49	0.0	-65.47	401.26	0.94	-64.53
O=C(C=CC[NH+]1CCCC1)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028731322	0	50	0.0	-66.21	397.65	1.48	-64.73
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1CC[NH+](C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300028731349	0	53	0.0	-63.18	406.13	2.00	-61.18
O=C(CC[NH+]1CCCC1)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028731374	0	49	0.0	-67.93	382.68	0.95	-66.98
C[N@@H+]1CC2CC1(C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028731430	0	47	0.0	-68.39	366.61	0.45	-67.94
O=C(C[N@@H+]1CC2CCC1C2)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028731445	0	50	0.0	-65.68	382.43	1.43	-64.25
CC(C)[NH+]1CCC(CC(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028731457	0	58	0.0	-65.89	429.78	2.65	-63.24
O=C(C=C1C[NH+]2CCC1CC2)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028731507	0	51	0.0	-65.36	392.99	1.53	-63.83
O=C(CN1CC2C=CC1C2)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028731519	0	48	0.0	-63.19	375.03	1.23	-61.96
O=C(C[N@@H+]1CC2C=CC1C2)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028731519	1	48	0.0	-64.89	375.08	1.21	-63.68
O=C(C[N@H+]1CC2C=CC1C2)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028731519	1	48	0.0	-64.89	375.08	1.21	-63.68
CC(C[NH+](C)C)C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028731582	0	48	0.0	-67.28	374.32	0.61	-66.67
C[N@@H+]1CCCCC1CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028731678	0	52	0.0	-69.50	395.17	1.54	-67.96
C[N@H+]1CCCCC1CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028731678	1	52	0.0	-69.50	395.17	1.54	-67.96
CC1=C2C=C(C(=O)N[C@H]3CCOC[C@H]3NC(=O)C3=CC(=O)[N-]O3)C=CN2C=N1	REAL300028731700	0	47	0.0	-63.95	389.10	3.22	-60.73
CC1=C2C=C(C(=O)N[C@H]3CCOC[C@H]3NC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300028731700	1	47	0.0	-63.95	389.10	3.22	-60.73
CC(C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)N1CC(C)C1	REAL300028731701	0	49	0.0	-61.13	384.25	0.86	-60.27
CC(C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300028731701	1	49	0.0	-61.13	384.25	0.86	-60.27
CC1CCN1CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028731705	0	46	0.0	-62.41	368.05	0.24	-62.17
CC1CC[N@@H+]1CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028731705	1	46	0.0	-66.52	367.25	0.43	-66.09
CC1CC[N@H+]1CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028731705	1	46	0.0	-66.52	367.25	0.43	-66.09
C[NH+](C)CC(O)CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028731710	0	49	0.0	-68.53	389.23	-1.84	-70.37
CC1CN(C)CC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)O1	REAL300028731746	0	50	0.0	-62.06	387.41	0.37	-61.69
CC1C[N@H+](C)CC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)O1	REAL300028731746	1	50	0.0	-68.13	395.36	0.32	-67.81
CC1C[N@@H+](C)CC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)O1	REAL300028731746	1	50	0.0	-68.13	395.36	0.32	-67.81
O=C(CC[NH+]1CCC(O)CC1)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028731758	0	53	0.0	-71.78	410.56	-1.62	-73.40
CCC[N@@H+]1CCCCC1C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028731761	0	55	0.0	-60.92	408.58	1.97	-58.95
CCC[N@H+]1CCCCC1C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028731761	1	55	0.0	-60.92	408.58	1.97	-58.95
CC[NH+]1CCN(CCC(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028731766	0	57	0.0	-69.34	434.54	-0.02	-69.36
CCN1CC[NH+](CCC(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028731766	1	57	0.0	-69.34	434.54	-0.02	-69.36
O=C(N[C@@H]1COCC[C@@H]1NC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1=CC(=O)[N-]O1	REAL300028731769	0	56	0.0	-59.61	411.43	2.62	-56.99
O=C(N[C@@H]1COCC[C@@H]1NC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1=CC(=O)[N-]O1	REAL300028731769	1	56	0.0	-59.61	411.43	2.62	-56.99
CC(C)C[NH+]1CCC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028731814	0	58	0.0	-68.22	436.99	3.09	-65.13
C[NH+](C)C1CCN(CC(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028731839	0	57	0.0	-68.19	429.26	0.03	-68.16
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028731860	0	49	0.0	-63.94	385.47	1.06	-62.88
CC(CC[NH+](C)C)C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028731868	0	51	0.0	-66.17	396.77	1.02	-65.15
C[N@H+](CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300028731901	0	53	0.0	-61.06	407.35	-1.45	-62.51
C[N@@H+](CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300028731901	1	53	0.0	-62.04	407.63	-1.48	-63.52
C[NH+]1CCN(CC(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028731916	1	51	0.0	-68.44	394.96	-1.15	-69.59
CC[NH+]1CCN(CC(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028731925	0	54	0.0	-67.37	412.58	-0.50	-67.87
NC(=[NH2+])SCC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028731956	0	40	0.0	-67.84	344.48	-3.80	-71.64
CC[N@@H+]1CCOCC1CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028732002	0	53	0.0	-65.08	400.47	-0.54	-65.62
C[NH+](C)CCC1(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300028732021	0	58	0.0	-64.04	438.66	2.75	-61.29
CC1CCCC(C)[NH+]1CCC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028732023	0	58	0.0	-65.07	426.15	2.40	-62.67
C[NH+](C)C1CCC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028732026	0	55	0.0	-63.31	409.09	1.81	-61.50
C[NH+](C)CCC1(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028732027	0	52	0.0	-76.57	405.37	1.92	-74.65
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028732031	0	55	0.0	-63.26	409.05	1.82	-61.44
C[N@@H+]1CC=CCC1CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028732032	0	50	0.0	-70.43	387.11	1.39	-69.04
C[N@H+]1CC=CCC1CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028732032	1	50	0.0	-70.43	387.11	1.39	-69.04
C[C@@H](OCC[NH+](C)C)C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028732061	0	52	0.0	-64.22	412.39	0.89	-63.33
C[NH+]1C2CCC1CC(C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028732095	0	53	0.0	-63.12	373.38	2.06	-61.06
CC(C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300028732236	1	50	0.0	-67.15	395.09	1.34	-65.81
CCC1C[NH+](CC(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028732238	1	49	0.0	-68.26	388.33	1.18	-67.08
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1C[NH+](C2CCOCC2)C1)C1=CC(=O)[N-]O1	REAL300028732240	0	54	0.0	-70.25	419.48	0.33	-69.92
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1([NH+]2CCCC2)CCC1)C1=CC(=O)[N-]O1	REAL300028732242	0	53	0.0	-59.12	398.95	1.87	-57.25
C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028732253	1	46	0.0	-68.27	355.88	-0.10	-68.37
O=C(CC[N@@H+]1CCC(F)C1)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028732262	1	49	0.0	-70.24	390.35	1.12	-69.12
COC1C[N@@H+](C)C(C)(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028732271	1	53	0.0	-61.20	406.29	-0.20	-61.40
O=C(CC[NH+]1CCCCCC1)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028732284	0	55	0.0	-69.97	410.08	1.99	-67.98
O=C(C[NH+]1CCCCC1)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028732286	0	49	0.0	-66.78	377.64	1.21	-65.57
CC1C(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028732296	0	49	0.0	-64.56	376.26	0.81	-63.75
CC1C(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028732296	1	49	0.0	-62.94	377.99	0.35	-62.59
C[N@@H+]1CCCCC1CCC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028732298	0	55	0.0	-64.42	417.81	2.05	-62.37
C[N@H+]1CCCCC1CCC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028732298	1	55	0.0	-64.30	418.04	2.07	-62.23
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1CC[N@@H+]2CCOCC12)C1=CC(=O)[N-]O1	REAL300028732332	0	51	0.0	-62.90	391.81	-0.54	-63.44
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1CC[N@H+]2CCOCC12)C1=CC(=O)[N-]O1	REAL300028732332	1	51	0.0	-71.42	394.82	-0.37	-71.79
CC1=[NH+]C=C2C=CC(C(=O)N[C@H]3CCOC[C@H]3NC(=O)C3=CC(=O)[N-]O3)=CN21	REAL300028732340	0	47	0.0	-61.21	388.34	2.42	-58.79
CN1CCOCC1CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028732359	0	50	0.0	-62.45	379.87	-1.18	-63.63
C[N@@H+]1CCOCC1CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028732359	1	50	0.0	-66.99	379.04	-1.00	-67.99
C[N@H+]1CCOCC1CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028732359	1	50	0.0	-62.45	379.87	-1.18	-63.63
CC1=C(C)[NH+]=C(CCC(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)N1	REAL300028732369	1	50	0.0	-59.53	406.98	0.42	-59.11
CC(C)C[N@@H+]1CCCC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028732384	0	58	0.0	-60.74	430.85	3.24	-57.50
CC(C)C[N@H+]1CCCC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028732384	1	58	0.0	-63.60	438.15	2.84	-60.76
C[N@H+]1CCCC1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028732551	1	46	0.0	-60.41	356.74	-0.31	-60.72
CN1CCOC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028732577	0	47	0.0	-63.67	366.20	-0.35	-64.02
C[N@@H+]1CCOC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028732577	1	47	0.0	-73.52	374.14	-0.40	-73.92
C[N@H+]1CCOC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028732577	1	47	0.0	-63.67	366.20	-0.35	-64.02
CC1=[NH+]C=CN1CCCC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028732746	1	50	0.0	-61.25	406.94	2.23	-59.02
O=C(CCCC[NH+]1CCOCC1)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028732750	1	56	0.0	-67.26	434.18	0.93	-66.33
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028732756	0	52	0.0	-67.98	414.07	2.85	-65.13
O=C(CC[NH+]1CCOCC1)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028732757	1	50	0.0	-66.17	391.20	-0.65	-66.82
CCC[NH+](CCC)CCCC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028732780	0	60	0.0	-64.38	454.01	3.27	-61.11
O=C(N[C@H]1CCOC[C@H]1NC(=O)C12CCC[NH+]1CCC2)C1=CC(=O)[N-]O1	REAL300028732796	0	50	0.0	-57.02	380.53	1.32	-55.70
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC(=O)[N-]O1	REAL300028732814	1	44	0.0	-68.60	367.18	2.64	-65.96
C[NH+](C)C1CCCC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028732886	0	55	0.0	-64.07	414.73	2.19	-61.88
C[N@@H+]1CCC(CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028732890	0	49	0.0	-65.20	382.25	0.94	-64.26
C[N@H+]1CCC(CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028732890	1	49	0.0	-67.35	383.19	0.74	-66.61
CN(C)C1=CC=[NH+]C=C1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028732903	0	48	0.0	-63.18	386.64	0.15	-63.03
CCC(C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028732909	0	48	0.0	-60.15	366.96	0.16	-59.99
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1)C1=CC(=O)[N-]O1	REAL300028732918	1	47	0.0	-73.86	396.44	0.57	-73.29
CC1CC2CCC(C(=O)N[C@@H]3COCC[C@@H]3NC(=O)C3=CC(=O)[N-]O3)C[N@@H+]2C1	REAL300028732965	0	56	0.0	-62.20	424.98	2.43	-59.77
CC1CC2CCC(C(=O)N[C@@H]3COCC[C@@H]3NC(=O)C3=CC(=O)[N-]O3)C[N@H+]2C1	REAL300028732965	1	56	0.0	-60.27	423.98	2.67	-57.60
C[NH+](C)CCCCC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028732995	0	51	0.0	-65.56	401.30	1.48	-64.08
CC(C)C(C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028733018	0	51	0.0	-60.92	385.37	1.55	-59.37
CCC[N@H+](C)CCC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028733020	0	51	0.0	-64.33	397.51	1.29	-63.04
CCC[N@@H+](C)CCC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028733020	1	51	0.0	-64.28	397.51	1.28	-63.00
CCC[N@H+](C)CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028733026	0	48	0.0	-62.55	375.17	0.77	-61.78
CCC[N@@H+](C)CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028733026	1	48	0.0	-62.49	375.17	0.78	-61.71
O=C(N[C@H]1CCOC[C@H]1NC(=O)C12CC[N@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300028733055	0	50	0.0	-65.00	379.15	0.39	-64.61
O=C(N[C@H]1CCOC[C@H]1NC(=O)C12CC[N@@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300028733055	1	50	0.0	-63.84	378.13	0.59	-63.25
CCCCCC[N@H+](C)CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028733099	0	57	0.0	-63.63	439.66	3.11	-60.52
CCCCCC[N@@H+](C)CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028733099	1	57	0.0	-63.67	439.66	3.12	-60.55
CC[NH+](CC)C(C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300028733107	0	57	0.0	-56.89	415.66	2.68	-54.21
CC1CC[NH+](CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028733146	0	52	0.0	-62.23	398.88	1.85	-60.38
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300028733174	1	47	0.0	-72.75	396.06	0.57	-72.18
C[NH+]1CCC(OCC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028733183	0	53	0.0	-70.86	416.70	1.23	-69.63
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1CC2CCCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300028733249	0	53	0.0	-60.19	403.42	2.11	-58.08
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1CC2CCCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300028733249	1	53	0.0	-60.96	403.42	2.03	-58.93
C[NH+](C)CC1(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028733262	0	49	0.0	-66.20	387.99	0.84	-65.36
CC1=[NH+]C=C2CCC(C(=O)N[C@@H]3COCC[C@@H]3NC(=O)C3=CC(=O)[N-]O3)CN21	REAL300028733263	1	51	0.0	-57.25	404.29	2.10	-55.15
CC(C)[NH+]1CCC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028733275	0	55	0.0	-65.56	411.96	1.75	-63.81
CC[N@H+](C)CCC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028733308	0	48	0.0	-64.90	376.84	0.34	-64.56
CC[N@@H+](C)CCC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028733308	1	48	0.0	-63.67	376.02	0.53	-63.14
CC(C)(C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300028733339	0	55	0.0	-57.03	405.31	2.30	-54.73
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1C[NH+]2CCC1CC2)C1=CC(=O)[N-]O1	REAL300028733357	0	50	0.0	-64.15	376.97	1.12	-63.03
C[NH+]1CCC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028733448	0	49	0.0	-64.62	380.52	1.00	-63.62
CC(C)[C@H](C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028733469	0	51	0.0	-60.90	385.16	1.51	-59.39
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1)C1=CC(=O)[N-]O1	REAL300028733554	0	56	0.0	-64.71	429.67	3.19	-61.52
CC[NH+](CC)CC(F)C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028733599	0	51	0.0	-62.43	399.24	1.37	-61.06
C[NH+](C)CC1=C(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)SC=C1	REAL300028733600	0	49	0.0	-59.58	401.56	1.94	-57.64
CC(C)C[N@@H+]1CCC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028733642	0	55	0.0	-62.29	420.76	2.34	-59.95
CC(C)C[N@H+]1CCC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028733642	1	55	0.0	-64.58	421.45	2.04	-62.54
C[NH+](C)C1(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300028733646	0	49	0.0	-60.02	375.32	1.01	-59.01
CCC(C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300028733681	0	54	0.0	-57.67	399.35	1.14	-56.53
CC1CCC[N@@H+]1CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028733709	0	49	0.0	-60.61	382.76	0.79	-59.82
CC1CCC[N@H+]1CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028733709	1	49	0.0	-60.78	381.66	0.81	-59.97
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028733793	1	53	0.0	-58.71	422.16	2.27	-56.44
CC(C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300028733800	0	55	0.0	-58.71	405.97	1.76	-56.95
CC(C)[N@@H+]1CCCCC1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028733802	0	55	0.0	-57.23	402.89	1.91	-55.32
CC(C)[N@H+]1CCCCC1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028733802	1	55	0.0	-58.14	403.72	1.69	-56.45
CC(C)[N@@H+]1CCCC1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028733832	0	52	0.0	-58.87	395.77	1.25	-57.62
CC(C)[N@H+]1CCCC1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028733832	1	52	0.0	-58.58	388.31	1.55	-57.03
C[NH+](C)C(CN1C=CC=N1)C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028733838	1	52	0.0	-71.07	409.74	0.90	-70.17
CC(C)[N@@H+]1CCCC1CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028733843	0	55	0.0	-55.77	408.31	1.25	-54.52
CC(C)[N@H+]1CCCC1CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028733843	1	55	0.0	-62.06	406.04	1.34	-60.72
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1CCC[N@@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300028733844	0	56	0.0	-58.39	418.75	2.90	-55.49
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1CCC[N@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300028733844	1	56	0.0	-58.07	413.02	3.22	-54.85
CC(C)[C@@H](C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028733865	0	51	0.0	-60.44	383.25	1.58	-58.86
CC1CC[N@H+](CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028733894	0	49	0.0	-62.56	382.11	0.81	-61.75
CC1CC[N@@H+](CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028733894	1	49	0.0	-63.04	382.60	0.89	-62.15
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028733895	0	55	0.0	-62.48	418.49	1.41	-61.07
CC(C)(C)[N@H+]1CCC(F)(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028733895	1	55	0.0	-62.25	418.91	1.43	-60.82
CC1=[NH+]C=C2CC(C(=O)N[C@@H]3COCC[C@@H]3NC(=O)C3=CC(=O)[N-]O3)CCN21	REAL300028733897	1	51	0.0	-58.38	405.15	2.09	-56.29
CC1(C)CC[N@H+](CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028733900	0	52	0.0	-61.44	401.16	1.59	-59.85
CC1(C)CC[N@@H+](CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028733900	1	52	0.0	-61.42	401.35	1.60	-59.82
C[N@H+](CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300028733901	0	54	0.0	-63.58	404.58	1.54	-62.04
C[N@@H+](CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300028733901	1	54	0.0	-61.82	405.72	1.91	-59.91
CC[C@@H](C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028733912	0	48	0.0	-60.08	366.82	0.16	-59.92
CC(COCC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCC1	REAL300028733920	0	56	0.0	-61.62	435.28	1.89	-59.73
CN(CCC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)C1=CC=[NH+]C=C1	REAL300028734073	0	51	0.0	-60.61	410.65	1.00	-59.61
CC1=[NH+]C=CN1CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028734188	1	44	0.0	-59.83	365.35	0.96	-58.87
CC(C[NH+]1CCOCC1)C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028734190	0	53	0.0	-65.74	408.09	-0.13	-65.87
O=C(CCC[NH+]1CCCCC1)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028734212	0	55	0.0	-63.79	421.43	2.58	-61.21
C[NH+](C)CC1=CC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)=NO1	REAL300028734233	1	48	0.0	-72.67	395.06	0.38	-72.29
CC1=C(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300028734235	0	47	0.0	-61.45	388.92	2.90	-58.55
CC(C)C1=[NH+]C=CN1CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028734280	1	50	0.0	-58.29	401.74	2.09	-56.20
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1CCCC2CCC[N@@H+]21)C1=CC(=O)[N-]O1	REAL300028734330	0	53	0.0	-57.42	401.12	1.98	-55.44
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1CCCC2CCC[N@H+]21)C1=CC(=O)[N-]O1	REAL300028734330	1	53	0.0	-60.04	393.00	1.66	-58.38
CC[N@@H+]1CCOC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028734363	1	50	0.0	-65.49	391.13	0.45	-65.04
CC[N@H+]1CCOC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028734363	1	50	0.0	-65.58	391.07	0.44	-65.14
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC(=O)[N-]O1	REAL300028734432	0	44	0.0	-65.50	366.90	2.65	-62.85
CC1=C[NH+]=CN1CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028734437	1	44	0.0	-62.24	365.67	1.69	-60.55
C[NH+](C)CCN1C=C(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C=N1	REAL300028734441	0	52	0.0	-73.81	421.07	0.62	-73.19
C[NH+](C)CCN1C=CC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)=N1	REAL300028734455	0	52	0.0	-75.22	421.44	0.65	-74.57
C[C@@H]1[C@H](C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028734461	0	49	0.0	-63.35	373.51	0.54	-62.81
C[C@@H]1[C@H](C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028734461	1	49	0.0	-63.15	378.76	0.61	-62.54
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028734464	1	53	0.0	-59.34	422.70	2.34	-57.00
CC[C@@H]1[C@@H](C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028734467	0	52	0.0	-63.38	394.01	0.81	-62.57
CC[C@@H]1[C@@H](C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028734467	1	52	0.0	-62.74	398.25	1.44	-61.30
CC1CCC(C)[NH+]1CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028734487	0	52	0.0	-58.10	392.75	1.26	-56.84
O=C(CCC[NH+]1CCCC1)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028734494	0	52	0.0	-63.70	405.76	1.88	-61.82
C[NH+](C)CC1=CC=CC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300028734495	0	52	0.0	-68.86	414.85	2.62	-66.24
C#CC[NH+]1CCC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028734503	0	51	0.0	-65.97	405.66	2.18	-63.79
O=C(CC[NH+]1CCCCC1)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028734504	0	52	0.0	-63.11	399.94	1.77	-61.34
C[NH+](C)CC1=CC=CC=C1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028734509	0	52	0.0	-59.19	407.58	2.86	-56.33
CC[N@@H+]1CCCCC1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028734518	0	52	0.0	-61.15	387.07	1.21	-59.94
CC[N@H+]1CCCCC1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028734518	1	52	0.0	-59.65	387.08	1.21	-58.44
CC(C)C(C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300028734519	0	58	0.0	-56.54	424.90	2.78	-53.76
C[NH+](C)C(C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300028734522	1	52	0.0	-60.66	410.60	2.85	-57.81
O=C(CN1C=[NH+]C2=C1CCCC2)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028734528	1	51	0.0	-61.12	407.50	3.42	-57.70
C[NH+](C)CC1(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL300028734571	0	58	0.0	-70.10	412.00	2.66	-67.44
C[N@H+](CCC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300028734577	0	58	0.0	-63.95	434.32	2.92	-61.03
C[N@@H+](CCC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300028734577	1	58	0.0	-65.81	435.15	2.72	-63.09
C[NH+](C)C1(CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300028734579	0	55	0.0	-65.95	400.60	1.58	-64.37
C[N@H+](CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300028734802	0	49	0.0	-60.54	382.16	1.34	-59.20
C[N@@H+](CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300028734802	1	49	0.0	-61.59	382.97	1.13	-60.46
CC(C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300028734833	0	55	0.0	-58.95	397.19	1.05	-57.90
O=C(CCCC[NH+]1CCCC1)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028734850	0	55	0.0	-64.18	426.21	2.59	-61.59
C[N@H+](CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300028734852	1	52	0.0	-67.63	413.40	2.73	-64.90
C[N@@H+](CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300028734852	1	52	0.0	-65.93	412.65	2.95	-62.98
C[NH+]1CCC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028734867	0	49	0.0	-64.62	380.52	1.00	-63.62
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028734932	0	46	0.0	-64.12	356.70	-0.32	-64.44
C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028734932	1	46	0.0	-61.26	363.01	0.21	-61.05
C[N@@H+]1CCCC1CCC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028734965	0	52	0.0	-64.10	400.38	1.50	-62.60
C[N@H+]1CCCC1CCC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028734965	1	52	0.0	-63.00	399.46	1.70	-61.30
O=C(N[C@H]1CCOC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2)C1=CC(=O)[N-]O1	REAL300028734977	0	53	0.0	-64.38	393.30	1.55	-62.83
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1CCC2CCCC[N@@H+]21)C1=CC(=O)[N-]O1	REAL300028734985	0	53	0.0	-58.49	397.59	1.60	-56.89
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1CCC2CCCC[N@H+]21)C1=CC(=O)[N-]O1	REAL300028734985	1	53	0.0	-56.51	403.77	2.31	-54.20
CCC[N@@H+]1CCCC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028735077	0	55	0.0	-58.43	413.42	2.57	-55.86
CCC[N@H+]1CCCC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028735077	1	55	0.0	-57.72	414.20	2.36	-55.36
CC(C)[N@@H+]1CCOC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028735099	1	53	0.0	-69.54	408.68	0.74	-68.80
CC(C)[N@H+]1CCOC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028735099	1	53	0.0	-60.80	400.73	0.79	-60.01
CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028735118	0	56	0.0	-63.09	419.51	0.58	-62.51
C[N@@H+]1CCCCC1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028735138	0	49	0.0	-59.24	377.90	0.95	-58.29
C[N@H+]1CCCCC1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028735138	1	49	0.0	-60.34	368.59	0.78	-59.56
CC(C)C[N@@H+]1CCCC1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028735169	0	55	0.0	-58.63	420.87	2.53	-56.10
CC(C)C[N@H+]1CCCC1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028735169	1	55	0.0	-60.45	401.32	2.14	-58.31
O=C(C[NH+]1CCC(CO)CC1)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028735190	1	53	0.0	-64.82	409.34	-1.48	-66.30
C[NH+]1C2CCC1CC(=CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028735227	0	54	0.0	-64.44	409.00	2.28	-62.16
CC1C(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028735246	0	49	0.0	-62.54	372.27	0.36	-62.18
CC1C(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028735246	1	49	0.0	-60.62	382.35	0.73	-59.89
C[N@@H+]1CCCCC1CCC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028735249	0	55	0.0	-67.29	410.67	1.85	-65.44
C[N@H+]1CCCCC1CCC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028735249	1	55	0.0	-62.90	417.24	2.28	-60.62
NC1=[NH+]C2=C(C=C1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300028735287	1	49	0.0	-56.16	390.86	0.33	-55.83
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028735369	0	52	0.0	-59.03	379.90	0.88	-58.15
CC(C)(C)[N@H+]1CCC1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028735369	1	52	0.0	-59.00	381.33	0.48	-58.52
C[C@@H](C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028735393	0	45	0.0	-60.83	353.83	-0.24	-61.07
C[NH+](C)CC1=CC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)=CC=N1	REAL300028735413	1	51	0.0	-66.16	410.90	0.79	-65.37
C=CCC(C)(C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028735419	0	52	0.0	-57.36	387.47	1.04	-56.32
NC1=C(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C=[NH+]C2=CC=CC=C21	REAL300028735450	1	48	0.0	-58.49	387.65	-0.16	-58.65
O=C(CC[NH+]1CCCC1)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028735454	0	49	0.0	-63.20	383.24	1.00	-62.20
C[N@H+](CCO)CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028735464	1	46	0.0	-62.93	364.02	-3.21	-66.14
C[N@@H+](CCO)CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028735464	1	46	0.0	-62.44	363.80	-3.21	-65.65
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1C[N@@H+]2CCN1CCC2)C1=CC(=O)[N-]O1	REAL300028735509	0	52	0.0	-70.88	384.92	-1.54	-72.42
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1C[N@H+]2CCN1CCC2)C1=CC(=O)[N-]O1	REAL300028735509	1	52	0.0	-63.86	384.88	-1.55	-65.41
C[N@H+]1CC=C(CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028735588	0	50	0.0	-64.55	395.07	1.67	-62.88
C[N@@H+]1CC=C(CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028735588	1	50	0.0	-63.30	395.88	1.45	-61.85
C[S+](C)CCC(O)C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028735605	0	48	0.0	-61.39	400.78	-1.01	-62.40
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028735629	1	50	0.0	-62.48	383.44	-2.30	-64.78
C[N@H+]1CC(O)CC1(C)C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028735629	1	50	0.0	-61.39	384.10	-2.56	-63.95
CN1CC[N@H+](C)CC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028735645	0	54	0.0	-61.57	408.49	-0.48	-62.05
CN1CC[N@@H+](C)CC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028735645	1	54	0.0	-63.14	406.77	-0.73	-63.87
CC(C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300028735646	1	53	0.0	-62.79	407.60	-1.96	-64.75
CC(C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)[N@H+]1CCCC(O)C1	REAL300028735646	1	53	0.0	-59.44	404.90	-1.55	-60.99
NC1=[NH+]C=C2CCCC2=C1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028735680	0	49	0.0	-59.16	396.50	0.16	-59.00
C[N@@H+]1CCCC(O)(CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028735687	0	53	0.0	-61.08	396.54	-0.50	-61.58
C[N@H+]1CCCC(O)(CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028735687	1	53	0.0	-63.05	393.66	-0.42	-63.47
CC1C[NH+](CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028735694	1	46	0.0	-63.65	366.81	0.29	-63.36
CC[N@@H+]1CCCC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028735702	0	52	0.0	-63.20	398.97	1.41	-61.79
CC[N@H+]1CCCC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028735702	1	52	0.0	-62.65	398.97	1.41	-61.24
NC1=[NH+]C=CC=C1CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028735712	0	45	0.0	-60.66	370.15	-0.85	-61.51
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1CCC[N@@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300028735727	0	50	0.0	-58.81	394.24	1.65	-57.16
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1CCC[N@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300028735727	1	50	0.0	-58.65	389.13	1.54	-57.11
O=C(C=CC[NH+]1CCCC1)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028735780	0	50	0.0	-66.14	399.05	1.57	-64.57
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1CC[NH+](C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300028735809	0	53	0.0	-61.97	409.81	2.40	-59.57
CC[N@H+](C)CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028735862	0	45	0.0	-63.42	354.48	-0.20	-63.62
CC[N@@H+](C)CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028735862	1	45	0.0	-63.40	354.47	-0.19	-63.59
CC1=CC=C(NCCC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)[NH+]=C1	REAL300028735954	1	51	0.0	-59.35	414.78	0.74	-58.61
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1C[NH+]2CCN1CC2)C1=CC(=O)[N-]O1	REAL300028736032	0	49	0.0	-63.92	373.09	-2.39	-66.31
O=C(N[C@H]1CCOC[C@H]1NC(=O)C12CCC[N@@H+]1CCCC2)C1=CC(=O)[N-]O1	REAL300028736087	0	53	0.0	-58.43	388.54	1.79	-56.64
O=C(N[C@H]1CCOC[C@H]1NC(=O)C12CCC[N@H+]1CCCC2)C1=CC(=O)[N-]O1	REAL300028736087	1	53	0.0	-59.70	391.91	1.74	-57.96
O=C(N[C@H]1CCOC[C@H]1NC(=O)C12CCC[N@@H+]1CC=CC2)C1=CC(=O)[N-]O1	REAL300028736098	0	51	0.0	-57.59	382.41	1.95	-55.64
O=C(N[C@H]1CCOC[C@H]1NC(=O)C12CCC[N@H+]1CC=CC2)C1=CC(=O)[N-]O1	REAL300028736098	1	51	0.0	-56.92	383.48	1.66	-55.26
CC(OCC[NH+](C)C)C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028736110	0	52	0.0	-63.85	410.79	1.14	-62.71
C[NH+](C)CCOCCC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028736122	0	52	0.0	-63.41	412.76	0.15	-63.26
COCC[N@H+](C)CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028736124	1	49	0.0	-62.33	386.06	-0.81	-63.14
COCC[N@@H+](C)CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028736124	1	49	0.0	-62.93	386.27	-0.81	-63.74
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1C[NH+](C2CCOC2)C1)C1=CC(=O)[N-]O1	REAL300028736126	0	51	0.0	-66.45	402.44	-0.29	-66.74
CC(CCC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028736131	0	51	0.0	-64.04	389.28	1.08	-62.96
C[NH+]1CCC(=CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028736156	0	50	0.0	-66.00	389.47	1.63	-64.37
CC[N@H+](CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028736167	0	49	0.0	-59.09	385.12	1.41	-57.68
CC[N@@H+](CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028736167	1	49	0.0	-58.94	385.32	1.42	-57.52
C[NH+](C)C1(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CCCSC1	REAL300028736172	0	53	0.0	-66.79	397.74	1.71	-65.08
CC1C[N@@H+]2CCN1C(C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028736187	0	52	0.0	-63.92	389.62	-1.80	-65.72
CC1C[N@H+]2CCN1C(C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028736187	1	52	0.0	-64.87	373.15	-1.44	-66.31
C[N@@H+]1CC2CC1(C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028736222	1	47	0.0	-64.68	367.36	0.36	-64.32
C[N@H+]1CC2CC1(C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028736222	1	47	0.0	-62.49	366.38	0.51	-61.98
CC1=[NH+]C(N)=CC=C1C=CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028736232	1	49	0.0	-63.56	401.73	-0.19	-63.75
O=C(C[N@@H+]1CC2CCC1C2)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028736241	0	50	0.0	-60.02	382.66	1.46	-58.56
O=C(C[N@H+]1CC2CCC1C2)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028736241	1	50	0.0	-60.50	381.20	1.03	-59.47
CC(C)[NH+]1CCC(CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028736257	0	58	0.0	-61.16	433.45	2.91	-58.25
CC(C[NH+](C)C)C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028736271	0	48	0.0	-63.62	374.31	0.62	-63.00
C[NH+](C)C1(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028736291	0	46	0.0	-60.89	362.63	0.00	-60.89
C[C@H](C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028736321	0	45	0.0	-60.93	354.06	-0.23	-61.16
CC[N@@H+]1CCC1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028736332	1	46	0.0	-62.43	368.41	0.15	-62.28
CC[N@H+]1CCC1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028736332	1	46	0.0	-61.16	361.52	-0.14	-61.30
CC(C)[N@@H+]1CCCC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028736346	0	55	0.0	-60.50	414.81	2.14	-58.36
CC(C)[N@H+]1CCCC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028736346	1	55	0.0	-61.57	415.63	1.91	-59.66
CCC(C)(C)[NH2+]C(C)C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028736368	0	54	0.0	-60.62	400.33	-0.16	-60.78
CNC1=[NH+]C(C)=CC=C1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028736426	1	48	0.0	-57.25	386.03	0.21	-57.04
NC1=CC=[NH+]C=C1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028736427	0	42	0.0	-63.29	344.87	-2.36	-65.65
CCCC(C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028736439	0	51	0.0	-61.23	387.95	1.11	-60.12
C[NH+](C)C(C)(C)C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028736447	0	48	0.0	-65.50	364.41	0.21	-65.29
CC(CC[NH+](C)C)C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028736473	0	51	0.0	-64.85	395.95	1.23	-63.62
O=C(N[C@H]1CCOC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1=CC(=O)[N-]O1	REAL300028736533	0	56	0.0	-63.36	407.11	1.89	-61.47
O=C(N[C@H]1CCOC[C@H]1NC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1=CC(=O)[N-]O1	REAL300028736533	1	56	0.0	-57.68	410.65	2.82	-54.86
O=C(N[C@H]1CCOC[C@H]1NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1=CC(=O)[N-]O1	REAL300028736570	1	51	0.0	-56.49	386.18	2.11	-54.38
O=C(N[C@H]1CCOC[C@H]1NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1=CC(=O)[N-]O1	REAL300028736570	1	51	0.0	-61.78	388.54	2.47	-59.31
COCCCC[N@H+](C)CCC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028736615	0	58	0.0	-67.85	452.68	1.15	-66.70
COCCCC[N@@H+](C)CCC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028736615	1	58	0.0	-67.84	452.68	1.13	-66.71
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028736627	0	52	0.0	-60.66	395.78	1.06	-59.60
C[N@H+]1CC(C)(C)CC1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028736627	1	52	0.0	-61.00	389.95	0.99	-60.01
C[NH+](C)CCCCCC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028736633	0	54	0.0	-65.72	422.77	2.28	-63.44
O=C(CC[NH+]1CCC(O)CC1)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028736638	0	53	0.0	-66.75	411.03	-1.58	-68.33
CCC[N@@H+]1CCCCC1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028736644	0	55	0.0	-59.38	407.77	2.17	-57.21
CCC[N@H+]1CCCCC1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028736644	1	55	0.0	-60.12	408.56	1.94	-58.18
CC[NH+]1CCN(CCC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028736654	0	57	0.0	-63.90	434.52	0.00	-63.90
CCN1CC[NH+](CCC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028736654	1	57	0.0	-64.23	433.36	-0.13	-64.36
C[NH+]1CCN(CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028736658	1	51	0.0	-64.12	395.75	-1.37	-65.49
CC(C)C[NH+]1CCC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028736792	0	58	0.0	-63.59	437.29	3.10	-60.49
CC1C[N@H+](C)CC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)O1	REAL300028736795	1	50	0.0	-74.38	388.11	-0.11	-74.49
CC1C[N@@H+](C)CC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)O1	REAL300028736795	1	50	0.0	-73.05	388.62	0.30	-72.75
CCC1CCC[N@H+](CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028736831	0	55	0.0	-61.86	409.86	2.44	-59.42
CCC1CCC[N@@H+](CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028736831	1	55	0.0	-63.34	410.71	2.22	-61.12
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)N1	REAL300028736842	0	50	0.0	-64.37	402.44	0.78	-63.59
O=C(C[NH+]1CC2CC2C1)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028736865	0	47	0.0	-63.56	372.09	1.01	-62.55
O=C(CC1([NH+]2CCCC2)CC1)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028736884	0	53	0.0	-59.94	399.84	2.02	-57.92
CC([NH2+]C1(CO)CCCC1)C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028736902	0	56	0.0	-61.98	411.86	-2.96	-64.94
C[N@@H+]1CCCCC1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028736935	0	49	0.0	-59.24	377.90	0.95	-58.29
C[N@H+]1CCCCC1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028736935	1	49	0.0	-60.34	368.59	0.78	-59.56
CC(C)C[N@@H+]1CCCC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028736948	0	58	0.0	-59.91	431.68	3.05	-56.86
CC(C)C[N@H+]1CCCC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028736948	1	58	0.0	-62.77	437.92	2.83	-59.94
C[NH+](C)C1CCN(CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028737014	0	57	0.0	-65.17	430.07	-0.16	-65.33
C[N@@H+]1CCC(=CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028737088	0	47	0.0	-67.11	374.79	0.88	-66.23
C[N@H+]1CCC(=CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028737088	1	47	0.0	-67.12	374.78	0.89	-66.23
O=C(CNC1=CC=[NH+]C=C1)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028737094	0	45	0.0	-63.79	372.45	-1.59	-65.38
CC[NH+]1CCN(CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028737164	0	54	0.0	-62.28	413.88	-0.66	-62.94
O=C(C=C1C[NH+]2CCC1CC2)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028737167	0	51	0.0	-62.62	393.22	1.56	-61.06
C[NH+](C)C1(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300028737219	0	52	0.0	-65.64	385.76	1.45	-64.19
C[N@H+](CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300028737236	0	53	0.0	-61.54	407.74	-1.65	-63.19
C[N@@H+](CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300028737236	1	53	0.0	-62.81	407.71	-1.66	-64.47
CCC1C[NH+](CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028737244	1	49	0.0	-64.54	389.16	0.93	-63.61
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1C[NH+](C2CCOCC2)C1)C1=CC(=O)[N-]O1	REAL300028737248	0	54	0.0	-68.20	419.36	0.08	-68.12
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1([NH+]2CCCC2)CCC1)C1=CC(=O)[N-]O1	REAL300028737250	0	53	0.0	-57.00	395.87	2.02	-54.98
C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028737266	0	46	0.0	-59.12	361.60	0.29	-58.83
C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028737266	1	46	0.0	-60.35	356.69	-0.31	-60.66
CC[N@@H+]1CCOCC1CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028737306	0	53	0.0	-64.83	403.72	-0.17	-65.00
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1C[NH+](C2CCCCC2)C1)C1=CC(=O)[N-]O1	REAL300028737334	0	56	0.0	-64.63	429.10	2.46	-62.17
COC1C[N@@H+]2CCCC2(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028737351	0	54	0.0	-65.67	415.70	0.08	-65.59
COC1C[N@H+]2CCCC2(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028737351	1	54	0.0	-65.67	415.70	0.08	-65.59
NC1=NC2=CC(C(=O)N[C@@H]3COCC[C@@H]3NC(=O)C3=CC(=O)[N-]O3)=CC=C2N1	REAL300028737423	0	46	0.0	-64.01	380.89	0.41	-63.60
NC1=[NH+]C2=CC(C(=O)N[C@@H]3COCC[C@@H]3NC(=O)C3=CC(=O)[N-]O3)=CC=C2N1	REAL300028737423	1	46	0.0	-64.01	380.89	0.41	-63.60
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028737472	0	49	0.0	-63.52	385.66	1.07	-62.45
C[NH+](C)CCC1(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300028737485	0	58	0.0	-63.60	437.00	2.93	-60.67
CC1CCCC(C)[NH+]1CCC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028737487	0	58	0.0	-61.83	426.93	2.20	-59.63
C[NH+](C)C1CCC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028737490	0	55	0.0	-64.83	414.74	2.18	-62.65
C[NH+](C)CCC1(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028737491	0	52	0.0	-63.84	412.02	1.88	-61.96
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028737496	0	55	0.0	-61.43	408.21	2.05	-59.38
C[N@@H+]1CC=CCC1CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028737497	0	50	0.0	-56.88	382.96	1.11	-55.77
C[N@H+]1CC=CCC1CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028737497	1	50	0.0	-65.65	387.93	1.20	-64.45
CC1=CC(C=CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)=C[NH+]=C1N	REAL300028737560	1	49	0.0	-65.19	401.93	0.11	-65.08
C[NH+](C)CCOCC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028737575	0	49	0.0	-65.53	392.63	0.19	-65.34
CCCCC[N@H+](C)CCC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028737582	0	57	0.0	-65.22	440.51	2.86	-62.36
CCCCC[N@@H+](C)CCC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028737582	1	57	0.0	-65.19	440.51	2.84	-62.35
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)O1	REAL300028737596	0	53	0.0	-65.21	415.43	1.10	-64.11
[NH2+]=C1SC=CN1CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028737627	0	42	0.0	-58.85	362.98	-0.47	-59.32
C[C@@H](OCC[NH+](C)C)C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028737721	0	52	0.0	-64.88	412.39	0.87	-64.01
O=C(CC[NH+]1CCCCCC1)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028737790	0	55	0.0	-64.45	409.95	1.97	-62.48
O=C(C[NH+]1CCCCC1)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028737794	0	49	0.0	-63.07	378.84	1.02	-62.05
C[N@@H+]1CCCC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028737796	0	49	0.0	-64.90	381.34	0.74	-64.16
C[N@H+]1CCCC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028737796	1	49	0.0	-63.25	380.54	0.95	-62.30
O=C(C[NH+]1CCC(CO)CC1)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028737798	1	53	0.0	-64.82	409.34	-1.48	-66.30
O=C(C[NH+]1CCCCCC1)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028737804	0	52	0.0	-61.78	387.00	1.40	-60.38
CN1C=C[N+](CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300028737811	0	44	0.0	-60.72	367.14	2.86	-57.86
C[N@@H+]1CCCC(C(C)(C)C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028737830	0	58	0.0	-66.19	418.29	2.03	-64.16
C[N@H+]1CCCC(C(C)(C)C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028737830	1	58	0.0	-65.28	425.92	2.47	-62.81
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)O1	REAL300028737836	1	49	0.0	-70.31	400.24	0.84	-69.47
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C=N1	REAL300028737844	0	51	0.0	-70.45	410.68	1.13	-69.32
O=C(C[NH+]1CCC(O)CC1)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028737863	1	50	0.0	-66.58	389.60	-2.35	-68.93
C[N@H+](CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028737869	0	46	0.0	-61.16	366.01	0.54	-60.62
C[N@@H+](CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028737869	1	46	0.0	-61.25	366.14	0.54	-60.71
CC(C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300028737871	1	54	0.0	-63.31	407.69	-1.05	-64.36
O=C(CC[N@H+]1CCC(F)C1)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028737875	0	49	0.0	-66.19	390.44	1.15	-65.04
O=C(CC[N@@H+]1CCC(F)C1)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028737875	1	49	0.0	-68.86	391.33	0.94	-67.92
COC1C[N@H+](C)C(C)(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028737891	0	53	0.0	-61.76	402.73	-0.20	-61.96
COC1C[N@@H+](C)C(C)(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028737891	1	53	0.0	-59.60	406.13	-0.20	-59.80
CC(CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300028737914	0	51	0.0	-66.56	393.92	1.14	-65.42
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1CC[N@@H+]2CCOCC12)C1=CC(=O)[N-]O1	REAL300028737936	0	51	0.0	-64.46	394.85	-0.38	-64.84
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1CC[N@H+]2CCOCC12)C1=CC(=O)[N-]O1	REAL300028737936	1	51	0.0	-62.46	392.58	-0.51	-62.97
CC1=[NH+]C=C2C=CC(C(=O)N[C@@H]3COCC[C@@H]3NC(=O)C3=CC(=O)[N-]O3)=CN21	REAL300028737945	0	47	0.0	-59.64	387.50	2.62	-57.02
C[N@@H+]1CCOCC1CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028737965	1	50	0.0	-67.12	386.56	-0.84	-67.96
C[N@H+]1CCOCC1CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028737965	1	50	0.0	-68.54	387.42	-1.06	-69.60
CC[NH+]1CCN(CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028737978	0	54	0.0	-62.28	413.88	-0.66	-62.94
CC1=CC(N)=[NH+]C=C1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028738047	1	45	0.0	-58.40	365.15	-0.94	-59.34
NC1=CC=C(CCC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C=[NH+]1	REAL300028738050	0	48	0.0	-61.44	394.95	-0.16	-61.60
CC1(O)CC[N@H+](CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028738108	1	50	0.0	-62.42	392.48	-2.24	-64.66
CC1(O)CC[N@@H+](CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028738108	1	50	0.0	-62.43	392.48	-2.22	-64.65
C[NH+](C)CCN1N=CC=C1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028738116	0	52	0.0	-62.91	416.62	0.62	-62.29
C[NH+]1CC(CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028738152	0	46	0.0	-64.25	367.36	0.16	-64.09
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1CC[N@@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300028738158	0	53	0.0	-62.74	402.73	1.62	-61.12
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1CC[N@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300028738158	1	53	0.0	-61.76	402.24	1.57	-60.19
C[NH+](C)CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028738168	0	42	0.0	-63.12	335.93	-0.65	-63.77
C[N@H+](CCO)CCC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028738213	0	49	0.0	-63.82	386.37	-2.68	-66.50
C[N@@H+](CCO)CCC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028738213	1	49	0.0	-63.51	386.35	-2.68	-66.19
C[C@@H](C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028738214	0	45	0.0	-60.83	353.83	-0.24	-61.07
C[N@@H+]1CCCCC1CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028738239	0	52	0.0	-66.15	396.00	1.32	-64.83
C[N@H+]1CCCCC1CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028738239	1	52	0.0	-57.75	387.67	1.42	-56.33
CC1=C2C=C(C(=O)N[C@@H]3COCC[C@@H]3NC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300028738271	1	47	0.0	-62.95	388.29	3.43	-59.52
CC(C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300028738272	1	49	0.0	-60.76	384.61	0.87	-59.89
CC1CC[N@@H+]1CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028738278	1	46	0.0	-61.09	367.21	0.42	-60.67
CC1CC[N@H+]1CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028738278	1	46	0.0	-60.96	367.24	0.44	-60.52
C[NH+](C)CC=CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028738298	0	46	0.0	-66.99	372.71	0.37	-66.62
O=C(CCCC[NH+]1CCCCC1)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028738327	0	58	0.0	-64.33	442.46	3.33	-61.00
CC1=C(C)[NH+]=C(CCC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)N1	REAL300028738341	1	50	0.0	-58.28	406.17	0.63	-57.65
C[NH+]1CCC(C2(C(=O)N[C@@H]3COCC[C@@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028738354	0	56	0.0	-62.05	424.22	3.00	-59.05
CC1=C2C=C(C(=O)N[C@@H]3COCC[C@@H]3NC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300028738364	1	47	0.0	-62.95	388.29	3.43	-59.52
C[NH+](C)CCSCC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028738376	0	49	0.0	-69.60	403.64	1.08	-68.52
O=C(C[N@H+]1CCCC1CO)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028738405	0	50	0.0	-60.48	390.05	-2.17	-62.65
O=C(C[N@@H+]1CCCC1CO)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028738405	1	50	0.0	-60.77	390.66	-1.99	-62.76
CC[NH+](CC)CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028738408	0	48	0.0	-62.32	372.88	0.49	-61.83
C[N@H+](CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300028738419	0	50	0.0	-67.06	396.72	1.58	-65.48
C[N@@H+](CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300028738419	1	50	0.0	-67.38	395.25	1.56	-65.82
CC[NH+](CC)CCC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028738481	0	51	0.0	-62.91	389.51	0.98	-61.93
NC(=O)C1CC[NH+](CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028738506	1	53	0.0	-71.94	414.43	-2.33	-74.27
C[NH+](C)CC1=CNC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300028738560	0	50	0.0	-69.14	403.13	0.41	-68.73
CC(C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300028738582	1	53	0.0	-61.99	406.80	-1.75	-63.74
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1CC2COCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300028738590	0	51	0.0	-63.45	394.82	-0.33	-63.78
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1CC2COCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300028738590	1	51	0.0	-65.54	395.42	-0.51	-66.05
CC(C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300028738609	1	46	0.0	-60.04	363.66	0.40	-59.64
CCC(CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300028738620	0	54	0.0	-66.15	412.06	1.76	-64.39
NC1=CC=C(C=CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C=[NH+]1	REAL300028738628	0	46	0.0	-66.14	384.19	-0.63	-66.77
C[NH+](C)CC(C)(C)C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028738629	0	51	0.0	-63.20	383.12	1.01	-62.19
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028738703	0	49	0.0	-60.78	368.57	0.76	-60.02
C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028738703	1	49	0.0	-61.88	378.68	0.74	-61.14
CC1CN2CC[N@@H+]1CC2C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028738720	0	52	0.0	-61.15	389.59	-1.89	-63.04
CC1CN2CC[N@H+]1CC2C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028738720	1	52	0.0	-62.78	388.04	-1.96	-64.74
C[NH+](C)CC(O)CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028738750	0	49	0.0	-67.37	388.54	-1.62	-68.99
C[NH+]1C2CCC1CC(C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028738753	0	53	0.0	-65.67	396.73	1.37	-64.30
C=CCC(C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028738802	0	49	0.0	-59.14	380.42	0.64	-58.50
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1CC2CCCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300028738814	0	53	0.0	-60.19	403.42	2.11	-58.08
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1CC2CCCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300028738814	1	53	0.0	-60.96	403.42	2.03	-58.93
C[NH+]1CCC(C)(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028738828	0	52	0.0	-65.80	393.99	1.20	-64.60
C[NH+]1CCC(O)(CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028738833	0	53	0.0	-67.49	407.28	-0.56	-68.05
COCC[N@@H+]1CCCC1CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028738849	0	56	0.0	-61.43	432.64	1.03	-60.40
COCC[N@H+]1CCCC1CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028738849	1	56	0.0	-61.62	434.33	0.80	-60.82
C[NH+]1C2CCC1CC(CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028738863	0	56	0.0	-67.23	402.84	1.55	-65.68
C[NH+](C)CCN1N=CC=C1C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028738903	0	52	0.0	-63.23	415.76	0.83	-62.40
C[NH+]1CCC(C2(C(=O)N[C@H]3CCOC[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028738950	0	56	0.0	-64.21	425.03	2.79	-61.42
CC1=C2C=C(C(=O)N[C@H]3CCOC[C@H]3NC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300028738962	1	47	0.0	-63.95	389.10	3.22	-60.73
C[NH+](C)CCSCC(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028738973	0	49	0.0	-68.84	403.63	1.08	-67.76
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1CC2COCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300028738985	0	51	0.0	-63.52	395.10	-0.52	-64.04
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1CC2COCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300028738985	1	51	0.0	-65.30	394.25	-0.35	-65.65
C[N@@H+]1CCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028739132	0	45	0.0	-63.41	356.73	1.56	-61.85
C[N@H+]1CCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028739132	1	45	0.0	-63.36	357.63	1.61	-61.75
C[N@@H+]1CCOC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028739156	1	46	0.0	-79.09	368.41	1.04	-78.05
C[N@H+]1CCOC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028739156	1	46	0.0	-71.21	362.54	0.74	-70.47
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028739358	1	52	0.0	-60.55	416.73	3.70	-56.85
CC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300028739366	0	54	0.0	-63.89	401.07	3.01	-60.88
CC(C)[N@@H+]1CCCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028739369	0	54	0.0	-60.42	404.27	3.11	-57.31
CC(C)[N@H+]1CCCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028739369	1	54	0.0	-61.55	398.00	3.16	-58.39
CC(C)[N@@H+]1CCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028739405	0	51	0.0	-62.64	389.92	2.72	-59.92
CC(C)[N@H+]1CCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028739405	1	51	0.0	-58.89	384.59	2.65	-56.24
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CC2CCCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300028739435	0	52	0.0	-66.74	399.77	3.23	-63.51
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CC2CCCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300028739435	1	52	0.0	-65.43	398.40	3.33	-62.10
CC(C)C1=[NH+]C=CN1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028739475	1	49	0.0	-59.97	398.04	3.19	-56.78
CC1=[NH+]C=CN1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028739537	1	43	0.0	-61.77	361.67	2.08	-59.69
CC(C[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028739539	0	52	0.0	-69.72	402.34	1.33	-68.39
O=C(CCC[NH+]1CCCCC1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028739562	0	54	0.0	-68.71	416.54	3.83	-64.88
CC(C)(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300028739603	0	54	0.0	-65.87	400.46	3.56	-62.31
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C1=CC(=O)[N-]O1	REAL300028739606	0	58	0.0	-65.24	437.73	4.40	-60.84
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CC[N@H+](C2CCCCC2)C1)C1=CC(=O)[N-]O1	REAL300028739606	1	58	0.0	-62.35	437.76	4.40	-57.95
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1C[NH+]2CCC1CC2)C1=CC(=O)[N-]O1	REAL300028739624	0	49	0.0	-75.05	372.24	2.38	-72.67
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CCCC2CCC[N@@H+]21)C1=CC(=O)[N-]O1	REAL300028739691	0	52	0.0	-59.64	388.34	3.03	-56.61
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CCCC2CCC[N@H+]21)C1=CC(=O)[N-]O1	REAL300028739691	1	52	0.0	-63.90	387.28	3.13	-60.77
C[NH+](C)CCN1C=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C=N1	REAL300028739694	0	51	0.0	-76.98	415.34	2.11	-74.87
C[NH+](C)CCN1C=CC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=N1	REAL300028739711	0	51	0.0	-80.02	415.72	2.09	-77.93
C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028739719	0	48	0.0	-64.75	368.80	1.45	-63.30
C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028739719	1	48	0.0	-66.60	373.11	2.10	-64.50
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028739723	1	52	0.0	-60.12	418.19	3.67	-56.45
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028739726	0	51	0.0	-64.04	389.61	2.16	-61.88
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028739726	1	51	0.0	-62.68	392.30	2.75	-59.93
CC[N@@H+]1CCOC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028739756	1	49	0.0	-73.29	387.41	1.55	-71.74
CC[N@H+]1CCOC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028739756	1	49	0.0	-69.60	386.46	1.64	-67.96
CC[NH+](CC)CC(F)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028739832	0	50	0.0	-62.04	391.51	2.20	-59.84
C[NH+](C)CC1=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)SC=C1	REAL300028739833	0	48	0.0	-57.33	396.40	3.17	-54.16
CC1CCC(C)[NH+]1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028739962	0	51	0.0	-60.64	390.13	2.53	-58.11
O=C(CCC[NH+]1CCCC1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028739973	0	51	0.0	-68.26	399.84	3.07	-65.19
C[NH+](C)CC1=CC=CC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300028739974	0	51	0.0	-70.98	409.45	4.03	-66.95
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028739984	0	50	0.0	-72.71	400.29	3.41	-69.30
O=C(CC[NH+]1CCCCC1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028739986	0	51	0.0	-68.39	395.04	3.03	-65.36
C[NH+](C)CC1=CC=CC=C1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028739990	0	51	0.0	-57.35	401.63	4.37	-52.98
CC[N@@H+]1CCCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028740002	0	51	0.0	-61.55	390.82	2.84	-58.71
CC[N@H+]1CCCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028740002	1	51	0.0	-60.23	382.57	2.55	-57.68
CC(C)C(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300028740003	0	57	0.0	-61.48	422.41	4.54	-56.94
C[NH+](C)C(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300028740007	1	51	0.0	-60.26	406.89	3.96	-56.30
CC(C)C[N@@H+]1CCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028740034	0	54	0.0	-65.21	417.08	3.43	-61.78
CC(C)C[N@H+]1CCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028740034	1	54	0.0	-63.48	417.12	3.42	-60.06
C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300028740038	0	48	0.0	-69.54	361.91	2.03	-67.51
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CCC[N@@H+]1C1CCOCC1)C1=CC(=O)[N-]O1	REAL300028740041	0	56	0.0	-68.90	416.35	2.29	-66.61
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CCC[N@H+]1C1CCOCC1)C1=CC(=O)[N-]O1	REAL300028740041	1	56	0.0	-68.86	406.02	1.76	-67.10
C[NH+](C)C(CN1C=CC=N1)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028740043	1	51	0.0	-68.23	407.49	2.52	-65.71
CC(C)[N@@H+]1CCCC1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028740050	0	54	0.0	-56.54	403.81	2.59	-53.95
CC(C)[N@H+]1CCCC1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028740050	1	54	0.0	-62.56	411.58	3.09	-59.47
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CCC[N@@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300028740051	0	55	0.0	-63.98	413.88	4.13	-59.85
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CCC[N@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300028740051	1	55	0.0	-61.29	412.14	3.70	-57.59
CC(C)[C@@H](C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028740081	0	50	0.0	-64.12	377.25	3.07	-61.05
C[N@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300028740154	0	48	0.0	-62.56	378.48	2.46	-60.10
C[N@@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300028740154	1	48	0.0	-61.91	378.36	2.44	-59.47
CC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300028740259	0	54	0.0	-61.99	402.97	2.95	-59.04
CN(CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1=CC=[NH+]C=C1	REAL300028740344	0	50	0.0	-63.63	405.51	2.25	-61.38
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028740358	1	47	0.0	-59.83	378.85	2.23	-57.60
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028740358	1	47	0.0	-60.58	384.73	2.70	-57.88
C[N@@H+]1CCCC1CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028740370	0	51	0.0	-65.01	399.84	2.97	-62.04
C[N@H+]1CCCC1CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028740370	1	51	0.0	-64.24	394.18	2.50	-61.74
O=C(N[C@@H]1CCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2)C1=CC(=O)[N-]O1	REAL300028740387	0	52	0.0	-66.24	389.63	2.67	-63.57
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CCC2CCCC[N@@H+]21)C1=CC(=O)[N-]O1	REAL300028740395	0	52	0.0	-60.60	399.20	3.50	-57.10
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CCC2CCCC[N@H+]21)C1=CC(=O)[N-]O1	REAL300028740395	1	52	0.0	-64.81	391.83	3.07	-61.74
CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028740407	0	55	0.0	-65.19	413.04	1.54	-63.65
CC[NH+](CC)CC1=CC=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)O1	REAL300028740424	0	54	0.0	-72.25	431.41	3.77	-68.48
O=C(CCCC[NH+]1CCCC1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028740429	0	54	0.0	-69.21	421.34	3.85	-65.36
C[N@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300028740432	1	51	0.0	-71.74	407.71	4.19	-67.55
C[N@@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300028740432	1	51	0.0	-71.45	407.74	4.19	-67.26
C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028740450	0	48	0.0	-70.65	375.63	2.26	-68.39
C[NH+](C)CC1=CC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=NO1	REAL300028740523	1	47	0.0	-76.87	389.12	1.57	-75.30
CC1=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300028740525	0	46	0.0	-67.97	375.35	4.48	-63.49
C[N@@H+]1CCCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028740584	0	48	0.0	-63.90	364.87	1.88	-62.02
C[N@H+]1CCCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028740584	1	48	0.0	-62.75	374.18	2.06	-60.69
CC(C)C[N@@H+]1CCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028740621	0	54	0.0	-61.46	416.20	3.71	-57.75
CC(C)C[N@H+]1CCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028740621	1	54	0.0	-63.85	409.99	3.25	-60.60
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC(=O)[N-]O1	REAL300028740810	0	43	0.0	-69.06	361.21	4.11	-64.95
CC1=[NH+]C=CN1CCCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028740826	1	49	0.0	-66.38	402.04	3.48	-62.90
O=C(CCCC[NH+]1CCOCC1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028740830	1	55	0.0	-72.39	429.31	2.19	-70.20
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028740836	0	51	0.0	-73.43	410.35	3.95	-69.48
O=C(CC[NH+]1CCOCC1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028740837	1	49	0.0	-68.28	387.48	0.48	-67.80
C[NH+](C)C(C)(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300028740859	0	54	0.0	-69.55	406.55	4.24	-65.31
CCC[NH+](CCC)CCCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028740867	0	59	0.0	-69.02	449.12	4.52	-64.50
CC[N@H+](C)C(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300028740868	0	54	0.0	-64.53	424.44	4.66	-59.87
CC[N@@H+](C)C(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300028740868	1	54	0.0	-58.23	424.69	4.62	-53.61
CC1=C[NH+]=CN1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028740895	1	43	0.0	-62.51	360.95	2.76	-59.75
O=C(CN1C=[NH+]C2=C1CCCC2)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028740909	1	50	0.0	-64.63	402.65	4.67	-59.96
C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL300028740957	0	57	0.0	-63.26	415.54	4.26	-59.00
C[NH+](C)CCC1=CC=CC=C1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028740958	0	54	0.0	-63.66	420.49	4.81	-58.85
C[N@H+](CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300028740965	0	57	0.0	-65.69	430.63	4.08	-61.61
C[N@@H+](CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300028740965	1	57	0.0	-66.39	430.65	4.07	-62.32
O=C(N[C@@H]1CCC[C@H]1NC(=O)C12CCC[NH+]1CCC2)C1=CC(=O)[N-]O1	REAL300028740971	0	49	0.0	-69.12	375.75	2.56	-66.56
C[NH+](C)C1CCCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028741015	0	54	0.0	-63.07	403.59	3.22	-59.85
C[N@@H+]1CCC(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028741022	0	48	0.0	-70.54	377.84	2.17	-68.37
C[N@H+]1CCC(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028741022	1	48	0.0	-67.84	378.34	2.06	-65.78
CN(C)C1=CC=[NH+]C=C1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028741036	0	47	0.0	-70.59	382.02	1.34	-69.25
CCC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028741042	0	47	0.0	-65.78	361.44	1.60	-64.18
C[NH+](C)C1(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300028741067	0	54	0.0	-66.47	396.04	2.90	-63.57
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC(=O)[N-]O1	REAL300028741146	1	43	0.0	-73.14	361.49	4.11	-69.03
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1)C1=CC(=O)[N-]O1	REAL300028741195	1	46	0.0	-78.77	390.73	2.04	-76.73
C[NH+](C)CCCCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028741231	0	50	0.0	-70.76	396.40	2.74	-68.02
CC(C)C(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028741256	0	50	0.0	-61.28	379.55	2.70	-58.58
CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028741258	0	50	0.0	-67.25	392.91	2.52	-64.73
CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028741258	1	50	0.0	-67.49	392.91	2.50	-64.99
CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028741265	0	47	0.0	-65.28	370.54	1.98	-63.30
CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028741265	1	47	0.0	-64.05	371.46	1.88	-62.17
O=C(N[C@@H]1CCC[C@H]1NC(=O)C12CC[N@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300028741298	0	49	0.0	-67.87	372.85	1.77	-66.10
O=C(N[C@@H]1CCC[C@H]1NC(=O)C12CC[N@@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300028741298	1	49	0.0	-67.62	373.07	1.81	-65.81
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028741374	0	45	0.0	-68.31	351.04	1.14	-67.17
C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028741374	1	45	0.0	-62.48	358.52	1.53	-60.95
CC1CC2CCC(C(=O)N[C@@H]3CCC[C@H]3NC(=O)C3=CC(=O)[N-]O3)C[N@@H+]2C1	REAL300028741405	0	55	0.0	-59.46	414.55	3.99	-55.47
CC1CC2CCC(C(=O)N[C@@H]3CCC[C@H]3NC(=O)C3=CC(=O)[N-]O3)C[N@H+]2C1	REAL300028741405	1	55	0.0	-61.81	420.33	3.84	-57.97
CCCCCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028741465	0	56	0.0	-65.34	435.96	4.20	-61.14
CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028741465	1	56	0.0	-65.11	435.96	4.21	-60.90
CC[NH+](CC)C(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300028741477	0	56	0.0	-60.58	412.51	3.69	-56.89
CC[NH+](CC)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028741490	0	47	0.0	-62.20	363.80	1.55	-60.65
CCC[N@@H+]1CCCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028741523	0	54	0.0	-61.49	408.78	3.77	-57.72
CCC[N@H+]1CCCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028741523	1	54	0.0	-59.37	408.76	3.77	-55.60
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CCCC[N@@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300028741536	0	58	0.0	-59.96	424.90	4.41	-55.55
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CCCC[N@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300028741536	1	58	0.0	-61.66	428.59	4.42	-57.24
CC(C)[N@@H+]1CCOC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028741549	1	52	0.0	-71.34	404.21	2.06	-69.28
CC(C)[N@H+]1CCOC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028741549	1	52	0.0	-71.20	395.93	2.04	-69.16
CC1CC[NH+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028741593	0	51	0.0	-67.59	393.63	3.07	-64.52
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300028741627	1	46	0.0	-75.73	390.34	2.05	-73.68
C[NH+]1CCC(OCC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028741637	0	52	0.0	-74.91	410.98	2.69	-72.22
C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028741657	0	48	0.0	-71.34	382.78	2.34	-69.00
CC1=[NH+]C=C2CCC(C(=O)N[C@@H]3CCC[C@H]3NC(=O)C3=CC(=O)[N-]O3)CN21	REAL300028741658	1	50	0.0	-59.75	400.57	3.22	-56.53
CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028741770	0	54	0.0	-69.90	409.93	3.44	-66.46
C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028741802	0	48	0.0	-70.65	375.63	2.26	-68.39
CC(C)[C@H](C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028741825	0	50	0.0	-66.90	374.64	2.04	-64.86
CCC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300028741865	0	53	0.0	-60.80	394.51	3.07	-57.73
CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028741969	0	47	0.0	-65.46	372.31	1.70	-63.76
CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028741969	1	47	0.0	-66.76	371.41	1.77	-64.99
CC1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028742058	0	48	0.0	-64.16	377.03	2.26	-61.90
CC1CCC[N@H+]1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028742058	1	48	0.0	-64.45	376.38	2.38	-62.07
CC1CC[N@H+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028742061	0	48	0.0	-66.16	376.36	2.28	-63.88
CC1CC[N@@H+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028742061	1	48	0.0	-63.33	377.66	2.15	-61.18
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028742062	0	54	0.0	-66.90	411.88	2.82	-64.08
CC(C)(C)[N@H+]1CCC(F)(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028742062	1	54	0.0	-61.04	412.83	2.91	-58.13
CC1=[NH+]C=C2CC(C(=O)N[C@@H]3CCC[C@H]3NC(=O)C3=CC(=O)[N-]O3)CCN21	REAL300028742064	1	50	0.0	-62.97	401.47	3.21	-59.76
C[NH+](C)CCC1=CC=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028742066	0	54	0.0	-77.93	431.67	4.94	-72.99
CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028742068	0	51	0.0	-62.97	397.09	2.70	-60.27
CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028742068	1	51	0.0	-66.56	396.05	2.85	-63.71
C[N@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300028742069	0	53	0.0	-63.94	400.07	2.87	-61.07
C[N@@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300028742069	1	53	0.0	-63.24	402.02	3.02	-60.22
C[N@H+](CCC1=CC=CC=C1)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028742070	0	54	0.0	-68.02	431.37	4.89	-63.13
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028742070	1	54	0.0	-68.26	431.38	4.90	-63.36
CC[C@@H](C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028742082	0	47	0.0	-63.25	361.46	1.60	-61.65
CC(COCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCC1	REAL300028742090	0	55	0.0	-64.52	430.82	3.22	-61.30
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1)C1=CC(=O)[N-]O1	REAL300028742207	0	55	0.0	-72.75	422.16	4.21	-68.54
C[N@@H+]1C[C@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)[C@@H](C2=CC=CC=C2)C1	REAL300028742270	0	55	0.0	-69.04	436.41	4.76	-64.28
C[N@H+]1C[C@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)[C@@H](C2=CC=CC=C2)C1	REAL300028742270	1	55	0.0	-63.98	435.46	4.84	-59.14
C[NH+]1CCC(O)(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028742381	0	52	0.0	-71.06	401.58	0.88	-70.18
COCC[N@@H+]1CCCC1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028742390	0	55	0.0	-63.37	421.07	1.80	-61.57
COCC[N@H+]1CCCC1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028742390	1	55	0.0	-66.09	428.78	1.99	-64.10
O=C(C[NH+]1CCC(CO)CC1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028742403	1	52	0.0	-68.79	404.46	-0.24	-69.03
O=C(C[NH+]1CCCCCC1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028742407	0	51	0.0	-62.70	383.56	2.51	-60.19
CN1C=C[N+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300028742412	0	43	0.0	-62.21	362.55	4.07	-58.14
C[N@@H+]1CCCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028742425	0	48	0.0	-68.92	375.62	2.23	-66.69
C[N@H+]1CCCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028742425	1	48	0.0	-58.79	370.52	2.30	-56.49
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CCC[N@@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300028742430	0	49	0.0	-60.26	384.23	2.73	-57.53
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CCC[N@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300028742430	1	49	0.0	-64.36	379.26	2.32	-62.04
CC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300028742471	1	45	0.0	-64.21	359.23	1.66	-62.55
CCC(CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300028742483	0	53	0.0	-68.64	403.85	3.41	-65.23
C[NH+](C)CC(C)(C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028742492	0	50	0.0	-65.94	381.11	2.28	-63.66
O=C(N[C@@H]1CCC[C@H]1NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1=CC(=O)[N-]O1	REAL300028742516	0	50	0.0	-62.38	390.55	3.12	-59.26
O=C(N[C@@H]1CCC[C@H]1NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1=CC(=O)[N-]O1	REAL300028742516	1	50	0.0	-62.04	384.95	3.33	-58.71
O=C(C[NH+]1CCC(O)CC1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028742544	1	49	0.0	-70.44	383.87	-0.89	-71.33
C[N@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028742546	0	45	0.0	-62.08	361.50	1.88	-60.20
C[N@@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028742546	1	45	0.0	-62.01	361.65	1.88	-60.13
CC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300028742547	1	53	0.0	-64.22	403.15	0.28	-63.94
C[NH+]1CC(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028742583	0	45	0.0	-64.75	363.52	1.29	-63.46
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CC[N@@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300028742587	0	52	0.0	-66.11	397.03	3.08	-63.03
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CC[N@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300028742587	1	52	0.0	-65.64	395.52	3.01	-62.63
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028742596	0	51	0.0	-64.34	392.39	2.31	-62.03
CC(C)(C)[N@H+]1CCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028742596	1	51	0.0	-62.46	377.54	1.62	-60.84
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CCN(C2=CC=[NH+]C=C2)C1)C1=CC(=O)[N-]O1	REAL300028742609	0	51	0.0	-70.82	407.91	1.21	-69.61
C[C@@H](C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028742613	0	44	0.0	-64.49	349.14	1.00	-63.49
CCC1CCC[N@H+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028742672	0	54	0.0	-67.28	412.02	3.71	-63.57
CCC1CCC[N@@H+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028742672	1	54	0.0	-63.81	413.23	3.58	-60.23
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)N1	REAL300028742682	0	49	0.0	-78.55	397.61	2.02	-76.53
C[NH+]1C2CCC1CC(CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028742699	0	55	0.0	-68.87	398.27	2.92	-65.95
C[NH+](C)C(CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300028742706	0	54	0.0	-70.19	422.16	4.46	-65.73
[NH2+]=C1SC=CN1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028742754	0	41	0.0	-62.33	358.38	0.74	-61.59
C[N@H+](CCO)CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028742767	0	48	0.0	-67.27	381.77	-1.46	-68.73
C[N@@H+](CCO)CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028742767	1	48	0.0	-65.92	381.75	-1.48	-67.40
C[C@@H](C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028742768	0	44	0.0	-64.49	349.14	1.00	-63.49
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028742773	0	48	0.0	-66.45	363.69	2.02	-64.43
C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028742773	1	48	0.0	-62.81	374.15	2.07	-60.74
CC1CN2CC[N@@H+]1CC2C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028742784	0	51	0.0	-71.16	385.11	-0.57	-71.73
CC1CN2CC[N@H+]1CC2C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028742784	1	51	0.0	-68.83	382.33	-0.49	-69.32
COC1C[N@@H+]2CCCC2(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028742838	0	53	0.0	-70.58	408.32	1.61	-68.97
COC1C[N@H+]2CCCC2(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028742838	1	53	0.0	-66.21	410.37	1.45	-64.76
O=C(CC1=CC2=C[NH+]=CN2C=C1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028742856	0	46	0.0	-65.77	386.64	4.65	-61.12
C[N@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300028742893	0	49	0.0	-69.60	391.56	2.72	-66.88
C[N@@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300028742893	1	49	0.0	-68.76	391.55	2.71	-66.05
C[NH+](C)CC1=CC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=CC=N1	REAL300028742938	1	50	0.0	-69.27	405.19	2.64	-66.63
C[N@@H+]1CCC(=CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028742940	0	46	0.0	-69.20	370.14	2.03	-67.17
C[N@H+]1CCC(=CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028742940	1	46	0.0	-69.13	370.13	2.05	-67.08
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1C[NH+](C2CCCCC2)C1)C1=CC(=O)[N-]O1	REAL300028742971	0	55	0.0	-71.17	423.36	3.95	-67.22
C[NH+](C)CCOCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028742992	0	48	0.0	-66.48	388.10	1.51	-64.97
CCCCC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028743000	0	56	0.0	-68.16	435.91	4.08	-64.08
CCCCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028743000	1	56	0.0	-68.40	435.91	4.06	-64.34
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)O1	REAL300028743012	0	52	0.0	-69.04	409.75	2.55	-66.49
C=CCC(C)(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028743024	0	51	0.0	-58.75	387.61	2.49	-56.26
C[S+](C)CCC(O)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028743029	0	47	0.0	-62.82	397.07	0.11	-62.71
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028743072	0	49	0.0	-69.40	377.72	-1.29	-70.69
CN1CC[N@H+](C)CC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028743087	0	53	0.0	-67.11	401.09	0.02	-67.09
CN1CC[N@@H+](C)CC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028743087	1	53	0.0	-67.11	401.09	0.02	-67.09
CC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300028743088	0	52	0.0	-65.24	401.92	-0.49	-65.73
O=C(CN1CCC(CO)CC1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028743106	0	52	0.0	-68.79	404.46	-0.24	-69.03
O=C(C[NH+]1CCC(CO)CC1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028743106	1	52	0.0	-68.79	404.46	-0.24	-69.03
C[N@@H+]1CCCC(O)(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028743117	0	52	0.0	-63.74	402.68	0.79	-62.95
C[N@H+]1CCCC(O)(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028743117	1	52	0.0	-63.74	402.68	0.79	-62.95
CC1CN(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028743121	0	45	0.0	-64.03	363.27	1.56	-62.47
CC1C[NH+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028743121	1	45	0.0	-64.03	363.27	1.56	-62.47
NC(=O)C1CCN(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028743127	0	52	0.0	-80.36	408.70	-0.87	-81.23
NC(=O)C1CC[NH+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028743127	1	52	0.0	-80.36	408.70	-0.87	-81.23
CN(CCO)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028743153	0	45	0.0	-63.98	360.32	-2.11	-66.09
C[N@H+](CCO)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028743153	1	45	0.0	-64.53	360.07	-2.10	-66.63
C[N@@H+](CCO)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028743153	1	45	0.0	-64.53	360.07	-2.10	-66.63
C[NH+]1C2CCC1CC(=CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028743186	0	53	0.0	-67.43	404.10	3.53	-63.90
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1C[N@@H+]2CCN1CCC2)C1=CC(=O)[N-]O1	REAL300028743191	0	51	0.0	-74.01	379.06	0.26	-73.75
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1C[N@H+]2CCN1CCC2)C1=CC(=O)[N-]O1	REAL300028743191	1	51	0.0	-74.01	379.06	0.26	-73.75
CC[N@@H+]1CCCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028743202	0	51	0.0	-60.86	387.03	3.07	-57.79
CC[N@H+]1CCCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028743202	1	51	0.0	-60.86	387.03	3.07	-57.79
CC(CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300028743204	0	50	0.0	-68.42	388.30	2.56	-65.86
CC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028743222	0	44	0.0	-63.68	349.96	1.14	-62.54
O=C(N[C@@H]1CCC[C@H]1NC(=O)C12CCC[N@@H+]1CCCC2)C1=CC(=O)[N-]O1	REAL300028743254	0	52	0.0	-63.22	385.05	3.06	-60.16
O=C(N[C@@H]1CCC[C@H]1NC(=O)C12CCC[N@H+]1CCCC2)C1=CC(=O)[N-]O1	REAL300028743254	1	52	0.0	-63.22	385.05	3.06	-60.16
O=C(N[C@@H]1CCC[C@H]1NC(=O)C12CCC[N@@H+]1CC=CC2)C1=CC(=O)[N-]O1	REAL300028743264	0	50	0.0	-62.07	378.82	2.92	-59.15
O=C(N[C@@H]1CCC[C@H]1NC(=O)C12CCC[N@H+]1CC=CC2)C1=CC(=O)[N-]O1	REAL300028743264	1	50	0.0	-62.07	378.82	2.92	-59.15
CC[N@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028743297	0	48	0.0	-62.78	377.34	2.56	-60.22
CC[NH+](CC)CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028743322	0	50	0.0	-68.05	388.99	2.53	-65.52
O=C(CCCC[NH+]1CCCCC1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028743369	0	57	0.0	-69.11	438.03	4.61	-64.50
CC1(O)CC[N@H+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028743407	0	49	0.0	-67.00	387.44	-1.00	-68.00
C[NH+](C)CC=CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028743420	0	45	0.0	-71.08	367.01	1.80	-69.28
CC(OCC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028743451	0	51	0.0	-66.30	407.89	2.21	-64.09
C[NH+](C)CCOCCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028743464	0	51	0.0	-65.65	408.14	1.35	-64.30
COCCN(C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028743465	0	48	0.0	-64.69	382.32	0.32	-64.37
COCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028743465	1	48	0.0	-64.06	382.57	0.30	-63.76
COCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028743465	1	48	0.0	-64.06	382.57	0.30	-63.76
COCCCC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028743503	0	57	0.0	-71.18	448.08	2.35	-68.83
COCCCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028743503	1	57	0.0	-71.18	448.08	2.35	-68.83
C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300028743531	0	51	0.0	-69.06	382.45	2.75	-66.31
CC(CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028743534	0	50	0.0	-69.79	384.67	2.29	-67.50
CCN1CCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028743545	0	45	0.0	-62.61	356.78	1.10	-61.51
CC[N@@H+]1CCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028743545	1	45	0.0	-63.24	363.86	1.49	-61.75
CC[N@H+]1CCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028743545	1	45	0.0	-63.24	363.86	1.49	-61.75
CC(C)[N@@H+]1CCCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028743561	0	54	0.0	-65.42	409.93	3.40	-62.02
CC(C)[N@H+]1CCCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028743561	1	54	0.0	-65.42	409.93	3.40	-62.02
CN1C=CN=C1N1CCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028743562	0	52	0.0	-64.62	418.34	2.91	-61.71
CN1C=C[NH+]=C1N1CCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028743562	1	52	0.0	-64.62	418.34	2.91	-61.71
CC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[N@H+](C)CC1=CC=CC=C1	REAL300028743569	0	54	0.0	-66.21	425.79	4.59	-61.62
O=C(C[N@H+]1CCCC1CO)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028743578	0	49	0.0	-65.75	384.18	-0.79	-66.54
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CC2CCCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300028743611	0	52	0.0	-65.43	398.40	3.33	-62.10
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CC2CCCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300028743611	1	52	0.0	-65.43	398.40	3.33	-62.10
C[NH+]1CCC(C)(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028743622	0	51	0.0	-62.57	388.28	2.68	-59.89
CC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)N1CCC(O)CC1	REAL300028743651	0	52	0.0	-68.96	401.89	-0.49	-69.45
CC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300028743651	1	52	0.0	-68.96	401.89	-0.49	-69.45
C#CC1(O)CCN(C(C)C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028743660	0	54	0.0	-64.25	425.91	0.34	-63.91
C#CC1(O)CC[NH+](C(C)C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028743660	1	54	0.0	-64.25	425.91	0.34	-63.91
C=CCC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028743672	0	48	0.0	-66.19	374.61	2.13	-64.06
C[NH+](C)C12CCC(C(=O)N[C@@H]3CCC[C@H]3NC(=O)C3=CC(=O)[N-]O3)(CC1)CC2	REAL300028743685	0	58	0.0	-73.49	420.69	3.82	-69.67
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028743693	0	51	0.0	-63.25	393.64	2.47	-60.78
C[NH+](C)CCCCCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028743698	0	53	0.0	-70.27	417.90	3.52	-66.75
CC1C[N@@H+](C2CCC2C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CCO1	REAL300028743731	0	56	0.0	-62.39	429.26	2.29	-60.10
CC1C[N@@H+]2CCN1C(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028743759	0	51	0.0	-65.32	385.22	-0.52	-65.84
CCCC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028743761	0	50	0.0	-68.31	386.07	2.55	-65.76
C[NH+](C)C(C)(C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028743767	0	47	0.0	-66.79	359.34	1.47	-65.32
CC[NH+](CC)CCSCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028743816	0	54	0.0	-68.09	434.83	3.75	-64.34
C[N@@H+]1CCCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028743828	0	48	0.0	-62.75	374.18	2.06	-60.69
C[N@H+]1CC=C(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028743890	0	49	0.0	-65.39	391.39	2.79	-62.60
C[N@@H+]1CC=C(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028743890	1	49	0.0	-64.16	391.39	2.80	-61.36
O=C(CC1([NH+]2CCCC2)CC1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028743903	0	52	0.0	-63.17	397.41	3.30	-59.87
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1(C[NH+]2CCCC2)CCCC1)C1=CC(=O)[N-]O1	REAL300028743930	0	58	0.0	-58.67	426.08	4.81	-53.86
C[N@@H+]1CCCC(C(C)(C)C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028743970	0	57	0.0	-68.11	414.59	3.14	-64.97
C[N@H+]1CCCC(C(C)(C)C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028743970	1	57	0.0	-68.11	414.59	3.14	-64.97
CN(C)CC1=CC=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)O1	REAL300028743975	0	48	0.0	-75.35	395.59	2.39	-72.96
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)O1	REAL300028743975	1	48	0.0	-75.35	395.59	2.39	-72.96
O=C(C=CC[NH+]1CCCC1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028744002	0	49	0.0	-66.45	393.21	2.80	-63.65
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CC[NH+](C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300028744034	0	52	0.0	-67.65	405.18	3.62	-64.03
C[N@@H+]1CC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C(C(F)(F)F)C1	REAL300028744059	0	48	0.0	-78.29	388.40	2.10	-76.19
C[N@H+]1CC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C(C(F)(F)F)C1	REAL300028744059	1	48	0.0	-78.29	388.40	2.10	-76.19
O=C(CC[NH+]1CCCC1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028744065	0	48	0.0	-68.70	378.35	2.26	-66.44
CN1CC(N2CC(C(=O)N[C@@H]3CCC[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2=O)C1	REAL300028744076	0	53	0.0	-69.34	419.32	1.29	-68.05
C[NH+]1CC(N2CC(C(=O)N[C@@H]3CCC[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2=O)C1	REAL300028744076	1	53	0.0	-69.34	419.32	1.29	-68.05
C[N@@H+]1CC2CC1(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028744138	0	46	0.0	-68.01	361.04	1.96	-66.05
CC1=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C=NN1CC[NH+](C)C	REAL300028744154	0	54	0.0	-75.67	432.35	2.46	-73.21
O=C(C[N@@H+]1CC2CCC1C2)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028744157	0	49	0.0	-63.95	375.41	2.51	-61.44
CC(C)[NH+]1CCC(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028744174	0	57	0.0	-64.00	428.56	4.14	-59.86
O=C(C=C1C[NH+]2CCC1CC2)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028744229	0	50	0.0	-63.35	388.60	2.88	-60.47
O=C(CN1CC2C=CC1C2)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028744242	0	47	0.0	-64.52	369.86	2.47	-62.05
O=C(C[N@@H+]1CC2C=CC1C2)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028744242	1	47	0.0	-63.18	370.13	2.47	-60.71
O=C(C[N@H+]1CC2C=CC1C2)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028744242	1	47	0.0	-63.18	370.13	2.47	-60.71
C[NH+](C)CC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300028744285	0	54	0.0	-73.49	427.64	4.63	-68.86
CC(C[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028744319	0	47	0.0	-68.33	369.44	1.87	-66.46
C[N@@H+]1CCCCC1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028744431	0	51	0.0	-60.65	383.97	2.52	-58.13
C[N@H+]1CCCCC1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028744431	1	51	0.0	-60.65	383.97	2.52	-58.13
CC1=C2C=C(C(=O)N[C@@H]3CCC[C@H]3NC(=O)C3=CC(=O)[N-]O3)C=CN2C=N1	REAL300028744454	0	46	0.0	-71.12	383.40	4.67	-66.45
CC1=C2C=C(C(=O)N[C@@H]3CCC[C@H]3NC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300028744454	1	46	0.0	-71.12	383.40	4.67	-66.45
CC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)N1CC(C)C1	REAL300028744455	0	48	0.0	-61.17	380.10	2.19	-58.98
CC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300028744455	1	48	0.0	-61.17	380.10	2.19	-58.98
CC1CCN1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028744459	0	45	0.0	-64.67	362.60	1.64	-63.03
CC1CC[N@@H+]1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028744459	1	45	0.0	-65.50	362.38	1.72	-63.78
CC1CC[N@H+]1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028744459	1	45	0.0	-65.50	362.38	1.72	-63.78
C[NH+](C)CC(O)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028744464	0	48	0.0	-69.18	384.85	-0.51	-69.69
CC1CN(C)CC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)O1	REAL300028744505	0	49	0.0	-74.20	382.87	1.76	-72.44
CC1C[N@H+](C)CC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)O1	REAL300028744505	1	49	0.0	-76.24	382.40	1.34	-74.90
CC1C[N@@H+](C)CC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)O1	REAL300028744505	1	49	0.0	-76.24	382.40	1.34	-74.90
O=C(CC[NH+]1CCC(O)CC1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028744519	0	52	0.0	-71.81	405.67	-0.35	-72.16
CCC[N@@H+]1CCCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028744522	0	54	0.0	-63.59	402.88	3.42	-60.17
CCC[N@H+]1CCCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028744522	1	54	0.0	-63.59	402.88	3.42	-60.17
CC[NH+]1CCN(CCC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028744526	0	56	0.0	-65.97	430.85	1.13	-64.84
CCN1CC[NH+](CCC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028744526	1	56	0.0	-65.97	430.85	1.13	-64.84
O=C(N[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1=CC(=O)[N-]O1	REAL300028744529	0	55	0.0	-60.61	406.95	3.95	-56.66
O=C(N[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1=CC(=O)[N-]O1	REAL300028744529	1	55	0.0	-60.61	406.95	3.95	-56.66
CC(C)C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028744583	0	57	0.0	-71.63	432.09	4.35	-67.28
C[NH+](C)C1CCN(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028744616	0	56	0.0	-65.86	426.01	1.18	-64.68
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028744641	0	48	0.0	-66.26	380.58	2.33	-63.93
CC(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028744651	0	50	0.0	-69.64	391.07	2.49	-67.15
C[N@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300028744689	0	52	0.0	-62.78	403.45	-0.26	-63.04
CN1CCN(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028744707	0	50	0.0	-64.94	391.25	-0.03	-64.97
C[NH+]1CCN(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028744707	1	50	0.0	-64.94	391.25	-0.03	-64.97
NC(=[NH2+])SCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028744753	0	39	0.0	-65.86	340.77	-2.67	-68.53
CC[N@H+]1CCOCC1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028744807	1	52	0.0	-66.58	400.04	0.96	-65.62
C[NH+](C)CCC1(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300028744829	0	57	0.0	-65.90	427.09	4.33	-61.57
CC1CCCC(C)[NH+]1CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028744831	0	57	0.0	-65.66	421.26	3.68	-61.98
C[NH+](C)C1CCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028744834	0	54	0.0	-68.69	403.33	3.28	-65.41
C[NH+](C)CCC1(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028744835	0	51	0.0	-72.97	405.27	3.01	-69.96
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028744839	0	54	0.0	-68.72	403.33	3.29	-65.43
C[N@@H+]1CC=CCC1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028744840	0	49	0.0	-68.17	383.46	2.53	-65.64
C[N@H+]1CC=CCC1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028744840	1	49	0.0	-69.86	382.24	2.65	-67.21
C[C@@H](OCC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028744877	0	51	0.0	-66.14	408.02	2.21	-63.93
C[NH+]1C2CCC1CC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028744921	0	52	0.0	-69.83	391.05	2.83	-67.00
C[NH+]1CCC(O)(C2(C(=O)N[C@@H]3CCC[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028745049	0	56	0.0	-64.88	421.85	1.48	-63.40
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1(CC[NH+]2CCCCC2)CC1)C1=CC(=O)[N-]O1	REAL300028745078	0	58	0.0	-70.67	448.64	4.90	-65.77
CC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)N1CCSCC1	REAL300028745104	0	49	0.0	-68.37	390.21	2.60	-65.77
CC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300028745104	1	49	0.0	-68.37	390.21	2.60	-65.77
CCC1CN(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028745107	0	48	0.0	-68.44	383.46	2.41	-66.03
CCC1C[NH+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028745107	1	48	0.0	-68.44	383.46	2.41	-66.03
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1C[NH+](C2CCOCC2)C1)C1=CC(=O)[N-]O1	REAL300028745109	0	53	0.0	-72.67	413.65	1.55	-71.12
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1([NH+]2CCCC2)CCC1)C1=CC(=O)[N-]O1	REAL300028745111	0	52	0.0	-65.47	391.57	3.21	-62.26
C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028745123	0	45	0.0	-61.20	352.33	0.99	-60.21
O=C(CC[N@H+]1CCC(F)C1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028745133	0	48	0.0	-71.48	386.36	2.24	-69.24
COC1C[N@H+](C)C(C)(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028745144	0	52	0.0	-70.22	402.33	1.10	-69.12
O=C(CC[NH+]1CCCCCC1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028745158	0	54	0.0	-69.88	405.04	3.23	-66.65
CC1C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028745172	0	48	0.0	-65.44	373.42	1.67	-63.77
CC1C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028745172	1	48	0.0	-65.44	373.42	1.67	-63.77
C[N@@H+]1CCCCC1CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028745175	0	54	0.0	-67.65	412.35	3.52	-64.13
C[N@H+]1CCCCC1CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028745175	1	54	0.0	-67.65	412.35	3.52	-64.13
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CC[N@@H+]2CCOCC12)C1=CC(=O)[N-]O1	REAL300028745220	0	50	0.0	-62.04	387.41	0.75	-61.29
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CC[N@H+]2CCOCC12)C1=CC(=O)[N-]O1	REAL300028745220	1	50	0.0	-62.04	387.41	0.75	-61.29
CN1CCOCC1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028745252	0	49	0.0	-62.07	374.16	0.28	-61.79
C[N@@H+]1CCOCC1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028745252	1	49	0.0	-66.29	374.17	0.27	-66.02
C[N@H+]1CCOCC1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028745252	1	49	0.0	-66.29	374.17	0.27	-66.02
CC1=C(C)NC(CCC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=N1	REAL300028745266	0	49	0.0	-63.33	401.28	1.88	-61.45
CC1=C(C)[NH+]=C(CCC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)N1	REAL300028745266	1	49	0.0	-63.33	401.28	1.88	-61.45
C[NH+](C)CCC1=CC=CC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300028745279	0	54	0.0	-72.35	431.94	4.87	-67.48
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CCN1CC1=CC=CC=C1)C1=CC(=O)[N-]O1	REAL300028745284	0	52	0.0	-70.66	422.56	4.59	-66.07
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CC[N@@H+]1CC1=CC=CC=C1)C1=CC(=O)[N-]O1	REAL300028745284	1	52	0.0	-66.71	423.75	4.46	-62.25
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CC[N@H+]1CC1=CC=CC=C1)C1=CC(=O)[N-]O1	REAL300028745284	1	52	0.0	-66.71	423.75	4.46	-62.25
CC(C)C[N@@H+]1CCCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028745288	0	57	0.0	-64.67	433.81	4.18	-60.49
CC(C)C[N@H+]1CCCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028745288	1	57	0.0	-64.67	433.81	4.18	-60.49
C[N@@H+]1CCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028745447	0	45	0.0	-63.36	357.63	1.61	-61.75
CN1CCOC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028745472	0	46	0.0	-79.09	368.41	1.04	-78.05
C[N@@H+]1CCOC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028745472	1	46	0.0	-71.21	362.54	0.74	-70.47
C[N@H+]1CCOC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028745472	1	46	0.0	-71.21	362.54	0.74	-70.47
CC1=NC=CN1CCCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028745645	0	49	0.0	-66.38	402.04	3.48	-62.90
CC1=[NH+]C=CN1CCCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028745645	1	49	0.0	-66.38	402.04	3.48	-62.90
O=C(CCCCN1CCOCC1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028745649	0	55	0.0	-72.39	429.31	2.19	-70.20
O=C(CCCC[NH+]1CCOCC1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028745649	1	55	0.0	-72.39	429.31	2.19	-70.20
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028745655	0	51	0.0	-73.43	410.35	3.95	-69.48
O=C(CCN1CCOCC1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028745656	0	49	0.0	-68.28	387.48	0.48	-67.80
O=C(CC[NH+]1CCOCC1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028745656	1	49	0.0	-68.28	387.48	0.48	-67.80
CCC[NH+](CCC)CCCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028745686	0	59	0.0	-69.02	449.12	4.52	-64.50
CC[N@H+](C)C(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300028745687	0	54	0.0	-58.23	424.69	4.62	-53.61
O=C(N[C@@H]1CCC[C@H]1NC(=O)C12CCC[NH+]1CCC2)C1=CC(=O)[N-]O1	REAL300028745708	0	49	0.0	-69.12	375.75	2.56	-66.56
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC2=CN=CN2C=C1)C1=CC(=O)[N-]O1	REAL300028745728	0	43	0.0	-73.14	361.49	4.11	-69.03
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC(=O)[N-]O1	REAL300028745728	1	43	0.0	-73.14	361.49	4.11	-69.03
C[NH+](C)C1CCCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028745818	0	54	0.0	-63.07	403.59	3.22	-59.85
C[N@@H+]1CCC(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028745825	0	48	0.0	-67.84	378.34	2.06	-65.78
C[N@H+]1CCC(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028745825	1	48	0.0	-67.84	378.34	2.06	-65.78
CCC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028745845	0	47	0.0	-65.78	361.44	1.60	-64.18
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1)C1=CC(=O)[N-]O1	REAL300028745855	1	46	0.0	-78.77	390.73	2.04	-76.73
CC1CC2CCC(C(=O)N[C@@H]3CCC[C@H]3NC(=O)C3=CC(=O)[N-]O3)C[N@@H+]2C1	REAL300028745912	0	55	0.0	-59.46	414.55	3.99	-55.47
CC1CC2CCC(C(=O)N[C@@H]3CCC[C@H]3NC(=O)C3=CC(=O)[N-]O3)C[N@H+]2C1	REAL300028745912	1	55	0.0	-61.81	420.33	3.84	-57.97
C[NH+](C)CCCCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028745952	0	50	0.0	-70.76	396.40	2.74	-68.02
CC(C)C(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028745979	0	50	0.0	-61.28	379.55	2.70	-58.58
CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028745981	0	50	0.0	-67.25	392.91	2.52	-64.73
CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028745981	1	50	0.0	-67.49	392.91	2.50	-64.99
CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028745988	0	47	0.0	-65.28	370.54	1.98	-63.30
CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028745988	1	47	0.0	-64.05	371.46	1.88	-62.17
O=C(N[C@@H]1CCC[C@H]1NC(=O)C12CC[N@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300028746021	0	49	0.0	-67.87	372.85	1.77	-66.10
O=C(N[C@@H]1CCC[C@H]1NC(=O)C12CC[N@@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300028746021	1	49	0.0	-67.62	373.07	1.81	-65.81
CCCCCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028746077	0	56	0.0	-65.34	435.96	4.20	-61.14
CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028746077	1	56	0.0	-65.11	435.96	4.21	-60.90
CC[NH+](CC)C(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300028746089	0	56	0.0	-60.58	412.51	3.69	-56.89
CC1CC[NH+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028746137	0	51	0.0	-67.59	393.63	3.07	-64.52
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300028746171	1	46	0.0	-75.73	390.34	2.05	-73.68
C[NH+]1CCC(OCC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028746181	0	52	0.0	-74.91	410.98	2.69	-72.22
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CC2CCCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300028746257	0	52	0.0	-66.74	399.77	3.23	-63.51
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CC2CCCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300028746257	1	52	0.0	-65.43	398.40	3.33	-62.10
C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028746278	0	48	0.0	-71.34	382.78	2.34	-69.00
CC1=[NH+]C=C2CCC(C(=O)N[C@@H]3CCC[C@H]3NC(=O)C3=CC(=O)[N-]O3)CN21	REAL300028746279	1	50	0.0	-59.75	400.57	3.22	-56.53
CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028746292	0	54	0.0	-69.90	409.93	3.44	-66.46
CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028746332	0	47	0.0	-65.46	372.31	1.70	-63.76
CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028746332	1	47	0.0	-66.76	371.41	1.77	-64.99
CC(C)(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300028746375	0	54	0.0	-65.87	400.46	3.56	-62.31
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C1=CC(=O)[N-]O1	REAL300028746378	0	58	0.0	-65.24	437.73	4.40	-60.84
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CC[N@H+](C2CCCCC2)C1)C1=CC(=O)[N-]O1	REAL300028746378	1	58	0.0	-62.35	437.76	4.40	-57.95
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1C[NH+]2CCC1CC2)C1=CC(=O)[N-]O1	REAL300028746396	0	49	0.0	-75.05	372.24	2.38	-72.67
C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028746501	0	48	0.0	-70.65	375.63	2.26	-68.39
CC(C)[C@H](C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028746524	0	50	0.0	-66.90	374.64	2.04	-64.86
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1)C1=CC(=O)[N-]O1	REAL300028746632	0	55	0.0	-72.75	422.16	4.21	-68.54
CC[NH+](CC)CC(F)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028746686	0	50	0.0	-62.04	391.51	2.20	-59.84
C[NH+](C)CC1=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)SC=C1	REAL300028746687	0	48	0.0	-57.33	396.40	3.17	-54.16
CC(C)C[N@@H+]1CCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028746737	0	54	0.0	-65.21	417.08	3.43	-61.78
CC(C)C[N@H+]1CCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028746737	1	54	0.0	-63.48	417.12	3.42	-60.06
C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300028746741	0	48	0.0	-69.54	361.91	2.03	-67.51
CCC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300028746783	0	53	0.0	-60.80	394.51	3.07	-57.73
CC1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028746816	0	48	0.0	-64.16	377.03	2.26	-61.90
CC1CCC[N@H+]1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028746816	1	48	0.0	-64.45	376.38	2.38	-62.07
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028746929	1	52	0.0	-60.55	416.73	3.70	-56.85
CC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300028746937	0	54	0.0	-63.89	401.07	3.01	-60.88
CC(C)[N@@H+]1CCCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028746940	0	54	0.0	-60.42	404.27	3.11	-57.31
CC(C)[N@H+]1CCCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028746940	1	54	0.0	-61.55	398.00	3.16	-58.39
CC(C)[N@@H+]1CCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028746976	0	51	0.0	-62.64	389.92	2.72	-59.92
CC(C)[N@H+]1CCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028746976	1	51	0.0	-58.89	384.59	2.65	-56.24
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CCC[N@@H+]1C1CCOCC1)C1=CC(=O)[N-]O1	REAL300028746985	0	56	0.0	-68.90	416.35	2.29	-66.61
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CCC[N@H+]1C1CCOCC1)C1=CC(=O)[N-]O1	REAL300028746985	1	56	0.0	-68.86	406.02	1.76	-67.10
C[NH+](C)C(CN1C=CC=N1)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028746987	1	51	0.0	-68.23	407.49	2.52	-65.71
CC(C)[N@@H+]1CCCC1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028746994	0	54	0.0	-56.54	403.81	2.59	-53.95
CC(C)[N@H+]1CCCC1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028746994	1	54	0.0	-62.56	411.58	3.09	-59.47
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CCC[N@@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300028746995	0	55	0.0	-63.98	413.88	4.13	-59.85
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CCC[N@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300028746995	1	55	0.0	-61.29	412.14	3.70	-57.59
CC(C)[C@@H](C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028747025	0	50	0.0	-64.12	377.25	3.07	-61.05
CC1CC[N@H+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028747063	0	48	0.0	-66.16	376.36	2.28	-63.88
CC1CC[N@@H+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028747063	1	48	0.0	-63.33	377.66	2.15	-61.18
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028747064	0	54	0.0	-66.90	411.88	2.82	-64.08
CC(C)(C)[N@H+]1CCC(F)(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028747064	1	54	0.0	-61.04	412.83	2.91	-58.13
CC1=[NH+]C=C2CC(C(=O)N[C@@H]3CCC[C@H]3NC(=O)C3=CC(=O)[N-]O3)CCN21	REAL300028747066	1	50	0.0	-62.97	401.47	3.21	-59.76
C[NH+](C)CCC1=CC=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028747068	0	54	0.0	-77.93	431.67	4.94	-72.99
CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028747070	0	51	0.0	-62.97	397.09	2.70	-60.27
CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028747070	1	51	0.0	-66.56	396.05	2.85	-63.71
C[N@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300028747071	0	53	0.0	-63.94	400.07	2.87	-61.07
C[N@@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300028747071	1	53	0.0	-63.24	402.02	3.02	-60.22
C[N@H+](CCC1=CC=CC=C1)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028747072	0	54	0.0	-68.02	431.37	4.89	-63.13
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028747072	1	54	0.0	-68.26	431.38	4.90	-63.36
CC[C@@H](C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028747084	0	47	0.0	-63.25	361.46	1.60	-61.65
CC(COCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCC1	REAL300028747092	0	55	0.0	-64.52	430.82	3.22	-61.30
C[N@@H+]1C[C@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)[C@@H](C2=CC=CC=C2)C1	REAL300028747106	0	55	0.0	-69.04	436.41	4.76	-64.28
C[N@H+]1C[C@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)[C@@H](C2=CC=CC=C2)C1	REAL300028747106	1	55	0.0	-63.98	435.46	4.84	-59.14
CN(CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1=CC=[NH+]C=C1	REAL300028747279	0	50	0.0	-63.63	405.51	2.25	-61.38
CC1=[NH+]C=CN1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028747421	1	43	0.0	-61.77	361.67	2.08	-59.69
CC(C[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028747423	0	52	0.0	-69.72	402.34	1.33	-68.39
O=C(CCC[NH+]1CCCCC1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028747446	0	54	0.0	-68.71	416.54	3.83	-64.88
C[NH+](C)CC1=CC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=NO1	REAL300028747472	1	47	0.0	-76.87	389.12	1.57	-75.30
CC1=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300028747474	0	46	0.0	-67.97	375.35	4.48	-63.49
CC(C)C1=[NH+]C=CN1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028747538	1	49	0.0	-59.97	398.04	3.19	-56.78
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CCCC2CCC[N@@H+]21)C1=CC(=O)[N-]O1	REAL300028747603	0	52	0.0	-59.64	388.34	3.03	-56.61
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CCCC2CCC[N@H+]21)C1=CC(=O)[N-]O1	REAL300028747603	1	52	0.0	-63.90	387.28	3.13	-60.77
CC[N@@H+]1CCOC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028747652	1	49	0.0	-73.29	387.41	1.55	-71.74
CC[N@H+]1CCOC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028747652	1	49	0.0	-69.60	386.46	1.64	-67.96
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC(=O)[N-]O1	REAL300028747746	0	43	0.0	-69.06	361.21	4.11	-64.95
CC1=C[NH+]=CN1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028747751	1	43	0.0	-62.51	360.95	2.76	-59.75
C[NH+](C)CCN1C=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C=N1	REAL300028747757	0	51	0.0	-76.98	415.34	2.11	-74.87
C[NH+](C)CCN1C=CC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=N1	REAL300028747774	0	51	0.0	-80.02	415.72	2.09	-77.93
C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028747782	0	48	0.0	-64.75	368.80	1.45	-63.30
C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028747782	1	48	0.0	-66.60	373.11	2.10	-64.50
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028747786	1	52	0.0	-60.12	418.19	3.67	-56.45
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028747789	0	51	0.0	-64.04	389.61	2.16	-61.88
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028747789	1	51	0.0	-62.68	392.30	2.75	-59.93
CC1CCC(C)[NH+]1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028747821	0	51	0.0	-60.64	390.13	2.53	-58.11
O=C(CCC[NH+]1CCCC1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028747832	0	51	0.0	-68.26	399.84	3.07	-65.19
C[NH+](C)CC1=CC=CC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300028747833	0	51	0.0	-70.98	409.45	4.03	-66.95
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028747844	0	50	0.0	-72.71	400.29	3.41	-69.30
O=C(CC[NH+]1CCCCC1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028747846	0	51	0.0	-68.39	395.04	3.03	-65.36
C[NH+](C)CC1=CC=CC=C1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028747851	0	51	0.0	-57.35	401.63	4.37	-52.98
CC[N@@H+]1CCCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028747863	0	51	0.0	-61.55	390.82	2.84	-58.71
CC[N@H+]1CCCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028747863	1	51	0.0	-60.23	382.57	2.55	-57.68
CC(C)C(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300028747864	0	57	0.0	-61.48	422.41	4.54	-56.94
C[NH+](C)C(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300028747868	1	51	0.0	-60.26	406.89	3.96	-56.30
O=C(CN1C=[NH+]C2=C1CCCC2)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028747878	1	50	0.0	-64.63	402.65	4.67	-59.96
C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL300028747927	0	57	0.0	-63.26	415.54	4.26	-59.00
C[NH+](C)CCC1=CC=CC=C1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028747928	0	54	0.0	-63.66	420.49	4.81	-58.85
C[N@H+](CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300028747935	0	57	0.0	-65.69	430.63	4.08	-61.61
C[N@@H+](CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300028747935	1	57	0.0	-66.39	430.65	4.07	-62.32
C[NH+](C)C1(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300028747939	0	54	0.0	-66.47	396.04	2.90	-63.57
C[N@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300028748231	0	48	0.0	-62.56	378.48	2.46	-60.10
C[N@@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300028748231	1	48	0.0	-61.91	378.36	2.44	-59.47
CC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300028748273	0	54	0.0	-61.99	402.97	2.95	-59.04
CC[NH+](CC)CC1=CC=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)O1	REAL300028748290	0	54	0.0	-72.25	431.41	3.77	-68.48
O=C(CCCC[NH+]1CCCC1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028748295	0	54	0.0	-69.21	421.34	3.85	-65.36
C[N@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300028748298	1	51	0.0	-71.74	407.71	4.19	-67.55
C[N@@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300028748298	1	51	0.0	-71.45	407.74	4.19	-67.26
C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028748316	0	48	0.0	-70.65	375.63	2.26	-68.39
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028748402	0	45	0.0	-68.31	351.04	1.14	-67.17
C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028748402	1	45	0.0	-62.48	358.52	1.53	-60.95
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028748425	1	47	0.0	-59.83	378.85	2.23	-57.60
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028748425	1	47	0.0	-60.58	384.73	2.70	-57.88
C[N@@H+]1CCCC1CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028748437	0	51	0.0	-65.01	399.84	2.97	-62.04
C[N@H+]1CCCC1CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028748437	1	51	0.0	-64.24	394.18	2.50	-61.74
O=C(N[C@@H]1CCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2)C1=CC(=O)[N-]O1	REAL300028748454	0	52	0.0	-66.24	389.63	2.67	-63.57
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CCC2CCCC[N@@H+]21)C1=CC(=O)[N-]O1	REAL300028748462	0	52	0.0	-60.60	399.20	3.50	-57.10
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CCC2CCCC[N@H+]21)C1=CC(=O)[N-]O1	REAL300028748462	1	52	0.0	-64.81	391.83	3.07	-61.74
CCC[N@@H+]1CCCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028748580	0	54	0.0	-61.49	408.78	3.77	-57.72
CCC[N@H+]1CCCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028748580	1	54	0.0	-59.37	408.76	3.77	-55.60
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CCCC[N@@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300028748593	0	58	0.0	-59.96	424.90	4.41	-55.55
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CCCC[N@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300028748593	1	58	0.0	-61.66	428.59	4.42	-57.24
CC(C)[N@@H+]1CCOC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028748606	1	52	0.0	-71.34	404.21	2.06	-69.28
CC(C)[N@H+]1CCOC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028748606	1	52	0.0	-71.20	395.93	2.04	-69.16
CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028748630	0	55	0.0	-65.19	413.04	1.54	-63.65
C[N@@H+]1CCCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028748653	0	48	0.0	-63.90	364.87	1.88	-62.02
C[N@H+]1CCCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028748653	1	48	0.0	-62.75	374.18	2.06	-60.69
CC(C)C[N@@H+]1CCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028748691	0	54	0.0	-61.46	416.20	3.71	-57.75
CC(C)C[N@H+]1CCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028748691	1	54	0.0	-63.85	409.99	3.25	-60.60
O=C(C[NH+]1CCC(CO)CC1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028748714	1	52	0.0	-68.79	404.46	-0.24	-69.03
C[NH+]1C2CCC1CC(=CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028748763	0	53	0.0	-67.43	404.10	3.53	-63.90
CC1C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028748785	0	48	0.0	-67.56	375.04	1.72	-65.84
CC1C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028748785	1	48	0.0	-65.44	373.42	1.67	-63.77
C[N@@H+]1CCCCC1CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028748789	0	54	0.0	-71.85	405.00	3.33	-68.52
C[N@H+]1CCCCC1CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028748789	1	54	0.0	-67.65	412.35	3.52	-64.13
NC1=[NH+]C2=C(C=C1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300028748836	1	48	0.0	-59.70	385.11	1.79	-57.91
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028748934	0	51	0.0	-64.34	392.39	2.31	-62.03
CC(C)(C)[N@H+]1CCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028748934	1	51	0.0	-62.46	377.54	1.62	-60.84
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CCN(C2=CC=[NH+]C=C2)C1)C1=CC(=O)[N-]O1	REAL300028748956	0	51	0.0	-70.82	407.91	1.21	-69.61
C[C@@H](C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028748962	0	44	0.0	-64.49	349.14	1.00	-63.49
C[NH+](C)CC1=CC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=CC=N1	REAL300028748985	1	50	0.0	-69.27	405.19	2.64	-66.63
C=CCC(C)(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028748991	0	51	0.0	-58.75	387.61	2.49	-56.26
CC[NH+](CC)CCSCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028749030	0	54	0.0	-68.09	434.83	3.75	-64.34
NC1=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C=[NH+]C2=CC=CC=C21	REAL300028749031	1	47	0.0	-60.36	382.23	1.23	-59.13
O=C(CC[NH+]1CCCC1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028749036	0	48	0.0	-68.70	378.35	2.26	-66.44
C[N@H+](CCO)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028749046	1	45	0.0	-63.98	360.32	-2.11	-66.09
C[N@@H+](CCO)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028749046	1	45	0.0	-64.53	360.07	-2.10	-66.63
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1C[N@@H+]2CCN1CCC2)C1=CC(=O)[N-]O1	REAL300028749097	0	51	0.0	-76.35	380.64	0.39	-75.96
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1C[N@H+]2CCN1CCC2)C1=CC(=O)[N-]O1	REAL300028749097	1	51	0.0	-74.01	379.06	0.26	-73.75
CC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300028749145	1	49	0.0	-68.37	390.21	2.60	-65.77
C[N@H+]1CC=C(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028749206	0	49	0.0	-65.39	391.39	2.79	-62.60
C[N@@H+]1CC=C(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028749206	1	49	0.0	-64.16	391.39	2.80	-61.36
C[NH+]1CC(N2CC(C(=O)N[C@@H]3CCC[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2=O)C1	REAL300028749220	1	53	0.0	-69.34	419.32	1.29	-68.05
C[S+](C)CCC(O)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028749228	0	47	0.0	-62.82	397.07	0.11	-62.71
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028749262	0	49	0.0	-72.46	380.31	-1.29	-73.75
C[N@H+]1CC(O)CC1(C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028749262	1	49	0.0	-69.40	377.72	-1.29	-70.69
CN1CC[N@H+](C)CC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028749281	0	53	0.0	-65.12	403.29	0.76	-64.36
CN1CC[N@@H+](C)CC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028749281	1	53	0.0	-67.11	401.09	0.02	-67.09
CC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300028749282	0	52	0.0	-63.31	403.11	-0.63	-63.94
CC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[N@H+]1CCCC(O)C1	REAL300028749282	1	52	0.0	-65.24	401.92	-0.49	-65.73
NC1=[NH+]C=C2CCCC2=C1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028749320	0	48	0.0	-63.08	391.60	1.41	-61.67
C[N@@H+]1CCCC(O)(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028749330	0	52	0.0	-63.83	392.87	0.63	-63.20
C[N@H+]1CCCC(O)(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028749330	1	52	0.0	-63.74	402.68	0.79	-62.95
CC1C[NH+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028749337	1	45	0.0	-64.03	363.27	1.56	-62.47
CC[N@@H+]1CCCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028749346	0	51	0.0	-64.47	394.48	2.74	-61.73
CC[N@H+]1CCCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028749346	1	51	0.0	-60.86	387.03	3.07	-57.79
NC1=[NH+]C=CC=C1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028749363	0	44	0.0	-62.66	366.47	0.26	-62.40
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CCC[N@@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300028749379	0	49	0.0	-60.26	384.23	2.73	-57.53
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CCC[N@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300028749379	1	49	0.0	-64.36	379.26	2.32	-62.04
CC1C[N@@H+](C2CCC2C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CCO1	REAL300028749416	0	56	0.0	-65.28	429.40	2.30	-62.98
CC1C[N@H+](C2CCC2C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CCO1	REAL300028749416	1	56	0.0	-62.39	429.26	2.29	-60.10
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1=CC=C(C[NH+]2CCCC2)O1	REAL300028749439	0	52	0.0	-73.60	420.96	3.51	-70.09
O=C(C=CC[NH+]1CCCC1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028749446	0	49	0.0	-66.45	393.21	2.80	-63.65
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CC[NH+](C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300028749481	0	52	0.0	-67.65	405.18	3.62	-64.03
CC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028749544	0	44	0.0	-63.68	349.96	1.14	-62.54
O=C(CN1CC2C=CC1C2)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028749629	0	47	0.0	-64.52	369.86	2.47	-62.05
O=C(C[N@@H+]1CC2C=CC1C2)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028749629	1	47	0.0	-63.18	370.13	2.47	-60.71
O=C(C[N@H+]1CC2C=CC1C2)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028749629	1	47	0.0	-63.18	370.13	2.47	-60.71
CC1=CC=C(NCCC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)N=C1	REAL300028749656	0	50	0.0	-64.23	409.90	2.00	-62.23
CC1=CC=C(NCCC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)[NH+]=C1	REAL300028749656	1	50	0.0	-64.23	409.90	2.00	-62.23
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1(C[NH+]2CCCC2)CCCC1)C1=CC(=O)[N-]O1	REAL300028749716	0	58	0.0	-58.67	426.08	4.81	-53.86
O=C(N[C@@H]1CCC[C@H]1NC(=O)C12CCC[N@@H+]1CCCC2)C1=CC(=O)[N-]O1	REAL300028749819	0	52	0.0	-63.22	385.05	3.06	-60.16
O=C(N[C@@H]1CCC[C@H]1NC(=O)C12CCC[N@H+]1CCCC2)C1=CC(=O)[N-]O1	REAL300028749819	1	52	0.0	-63.22	385.05	3.06	-60.16
O=C(N[C@@H]1CCC[C@H]1NC(=O)C12CCC[N@@H+]1CC=CC2)C1=CC(=O)[N-]O1	REAL300028749831	0	50	0.0	-62.07	378.82	2.92	-59.15
O=C(N[C@@H]1CCC[C@H]1NC(=O)C12CCC[N@H+]1CC=CC2)C1=CC(=O)[N-]O1	REAL300028749831	1	50	0.0	-62.07	378.82	2.92	-59.15
CC(OCC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028749847	0	51	0.0	-66.30	407.89	2.21	-64.09
C[NH+](C)CCOCCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028749861	0	51	0.0	-65.65	408.14	1.35	-64.30
COCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028749863	1	48	0.0	-64.69	382.32	0.32	-64.37
COCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028749863	1	48	0.0	-64.06	382.57	0.30	-63.76
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1C[NH+](C2CCOC2)C1)C1=CC(=O)[N-]O1	REAL300028749866	0	50	0.0	-68.97	398.66	0.64	-68.33
CC(CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028749872	0	50	0.0	-69.79	384.67	2.29	-67.50
C[NH+]1CCC(=CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028749903	0	49	0.0	-69.18	384.83	2.84	-66.34
CC[N@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028749918	0	48	0.0	-61.06	380.81	2.49	-58.57
CC[N@@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028749918	1	48	0.0	-62.78	377.34	2.56	-60.22
C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CCCSC1	REAL300028749923	0	52	0.0	-72.93	393.41	3.17	-69.76
CC1C[N@@H+]2CCN1C(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028749939	0	51	0.0	-63.90	377.13	0.22	-63.68
CC1C[N@H+]2CCN1C(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028749939	1	51	0.0	-65.32	385.22	-0.52	-65.84
C[N@@H+]1CC2CC1(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028749982	0	46	0.0	-69.90	363.29	1.76	-68.14
C[N@H+]1CC2CC1(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028749982	1	46	0.0	-68.01	361.04	1.96	-66.05
CC1=[NH+]C(N)=CC=C1C=CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028749996	1	48	0.0	-64.50	397.22	1.14	-63.36
CC1=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C=NN1CC[NH+](C)C	REAL300028750003	0	54	0.0	-75.67	432.35	2.46	-73.21
O=C(C[N@@H+]1CC2CCC1C2)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028750006	0	49	0.0	-65.03	375.66	2.51	-62.52
O=C(C[N@H+]1CC2CCC1C2)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028750006	1	49	0.0	-63.95	375.41	2.51	-61.44
CC(C)[NH+]1CCC(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028750027	0	57	0.0	-64.00	428.56	4.14	-59.86
CC(C[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028750044	0	47	0.0	-68.33	369.44	1.87	-66.46
C[N@@H+]1CC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C(C(F)(F)F)C1	REAL300028750063	0	48	0.0	-71.09	378.76	2.64	-68.45
C[N@H+]1CC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C(C(F)(F)F)C1	REAL300028750063	1	48	0.0	-78.29	388.40	2.10	-76.19
C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028750067	0	45	0.0	-68.50	355.09	1.48	-67.02
C[C@H](C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028750101	0	44	0.0	-66.74	349.17	1.01	-65.73
CC[N@@H+]1CCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028750115	1	45	0.0	-62.61	356.78	1.10	-61.51
CC[N@H+]1CCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028750115	1	45	0.0	-63.24	363.86	1.49	-61.75
CC(C)[N@@H+]1CCCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028750136	0	54	0.0	-59.86	404.88	3.46	-56.40
CC(C)[N@H+]1CCCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028750136	1	54	0.0	-65.42	409.93	3.40	-62.02
CN1C=C[NH+]=C1N1CCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028750138	1	52	0.0	-64.62	418.34	2.91	-61.71
CCC(C)(C)[NH2+]C(C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028750167	0	53	0.0	-66.44	392.71	1.07	-65.37
CNC1=[NH+]C(C)=CC=C1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028750236	1	47	0.0	-57.70	381.52	1.54	-56.16
NC1=CC=[NH+]C=C1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028750238	0	41	0.0	-64.68	340.35	-1.05	-65.73
C[NH+](C)C(CC1=CC=CC=C1)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028750244	0	54	0.0	-73.89	418.83	4.53	-69.36
CCCC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028750255	0	50	0.0	-68.31	386.07	2.55	-65.76
C[NH+](C)C(C)(C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028750265	0	47	0.0	-66.79	359.34	1.47	-65.32
CC(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028750296	0	50	0.0	-69.64	391.07	2.49	-67.15
O=C(N[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1=CC(=O)[N-]O1	REAL300028750369	0	55	0.0	-64.10	402.56	3.23	-60.87
O=C(N[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1=CC(=O)[N-]O1	REAL300028750369	1	55	0.0	-60.61	406.95	3.95	-56.66
O=C(N[C@@H]1CCC[C@H]1NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1=CC(=O)[N-]O1	REAL300028750410	0	50	0.0	-62.38	390.55	3.12	-59.26
O=C(N[C@@H]1CCC[C@H]1NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1=CC(=O)[N-]O1	REAL300028750410	1	50	0.0	-62.04	384.95	3.33	-58.71
COCCCC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028750467	0	57	0.0	-70.99	448.08	2.37	-68.62
COCCCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028750467	1	57	0.0	-71.18	448.08	2.35	-68.83
C[NH+](C)C12CCC(C(=O)N[C@@H]3CCC[C@H]3NC(=O)C3=CC(=O)[N-]O3)(CC1)CC2	REAL300028750473	0	58	0.0	-73.49	420.69	3.82	-69.67
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028750482	0	51	0.0	-67.81	390.92	2.30	-65.51
C[N@H+]1CC(C)(C)CC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028750482	1	51	0.0	-63.25	393.64	2.47	-60.78
C[NH+](C)CCCCCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028750488	0	53	0.0	-70.27	417.90	3.52	-66.75
O=C(CC[NH+]1CCC(O)CC1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028750494	0	52	0.0	-71.81	405.67	-0.35	-72.16
CCC[N@@H+]1CCCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028750500	0	54	0.0	-65.33	402.89	3.41	-61.92
CCC[N@H+]1CCCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028750500	1	54	0.0	-63.59	402.88	3.42	-60.17
CC[NH+]1CCN(CCC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028750510	0	56	0.0	-67.36	430.85	1.13	-66.23
CCN1CC[NH+](CCC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028750510	1	56	0.0	-65.97	430.85	1.13	-64.84
C[NH+]1CCN(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028750514	1	50	0.0	-64.94	391.25	-0.03	-64.97
CC(C)C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028750672	0	57	0.0	-71.63	432.09	4.35	-67.28
CC1C[N@H+](C)CC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)O1	REAL300028750676	1	49	0.0	-74.20	382.87	1.76	-72.44
CC1C[N@@H+](C)CC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)O1	REAL300028750676	1	49	0.0	-76.24	382.40	1.34	-74.90
CCC1CCC[N@H+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028750722	0	54	0.0	-67.28	412.02	3.71	-63.57
CCC1CCC[N@@H+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028750722	1	54	0.0	-63.81	413.23	3.58	-60.23
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)N1	REAL300028750734	0	49	0.0	-78.55	397.61	2.02	-76.53
O=C(C[NH+]1CC2CC2C1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028750760	0	46	0.0	-64.17	367.81	2.36	-61.81
O=C(CC1([NH+]2CCCC2)CC1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028750785	0	52	0.0	-63.17	397.41	3.30	-59.87
CC([NH2+]C1(CO)CCCC1)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028750811	0	55	0.0	-66.25	413.53	-1.22	-67.47
C[N@@H+]1CCCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028750852	0	48	0.0	-63.90	364.87	1.88	-62.02
C[N@H+]1CCCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028750852	1	48	0.0	-62.75	374.18	2.06	-60.69
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CC[N@@H+]1CC1=CC=CC=C1)C1=CC(=O)[N-]O1	REAL300028750861	1	52	0.0	-70.66	422.56	4.59	-66.07
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CC[N@H+]1CC1=CC=CC=C1)C1=CC(=O)[N-]O1	REAL300028750861	1	52	0.0	-66.71	423.75	4.46	-62.25
CC(C)C[N@@H+]1CCCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028750868	0	57	0.0	-63.63	423.22	4.47	-59.16
CC(C)C[N@H+]1CCCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028750868	1	57	0.0	-64.67	433.81	4.18	-60.49
C[NH+](C)C1CCN(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028750954	0	56	0.0	-65.86	426.01	1.18	-64.68
C[N@@H+]1CCC(=CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028751047	0	46	0.0	-69.20	370.14	2.03	-67.17
C[N@H+]1CCC(=CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028751047	1	46	0.0	-69.13	370.13	2.05	-67.08
O=C(CNC1=CC=[NH+]C=C1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028751055	0	44	0.0	-67.80	366.75	-0.13	-67.93
CC[NH+]1CCN(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028751133	0	53	0.0	-65.86	409.39	0.66	-65.20
O=C(C=C1C[NH+]2CCC1CC2)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028751138	0	50	0.0	-63.35	388.60	2.88	-60.47
C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300028751198	0	51	0.0	-69.06	382.45	2.75	-66.31
C[N@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300028751215	0	52	0.0	-62.00	403.22	-0.33	-62.33
C[N@@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300028751215	1	52	0.0	-62.78	403.45	-0.26	-63.04
CCC1C[NH+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028751223	1	48	0.0	-68.44	383.46	2.41	-66.03
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1C[NH+](C2CCOCC2)C1)C1=CC(=O)[N-]O1	REAL300028751227	0	53	0.0	-72.67	413.65	1.55	-71.12
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1([NH+]2CCCC2)CCC1)C1=CC(=O)[N-]O1	REAL300028751230	0	52	0.0	-65.47	391.57	3.21	-62.26
C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028751248	0	45	0.0	-60.86	358.54	1.54	-59.32
C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028751248	1	45	0.0	-61.20	352.33	0.99	-60.21
CC[N@@H+]1CCOCC1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028751293	0	52	0.0	-66.58	400.04	0.96	-65.62
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)NC2=C1CCC[NH2+]2)C1=CC(=O)[N-]O1	REAL300028751302	0	49	0.0	-82.61	391.05	0.30	-82.31
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1C[NH+](C2CCCCC2)C1)C1=CC(=O)[N-]O1	REAL300028751327	0	55	0.0	-71.17	423.36	3.95	-67.22
COC1C[N@@H+]2CCCC2(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028751349	0	53	0.0	-66.21	410.37	1.45	-64.76
COC1C[N@H+]2CCCC2(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028751349	1	53	0.0	-66.21	410.37	1.45	-64.76
NC1=NC2=CC(C(=O)N[C@@H]3CCC[C@H]3NC(=O)C3=CC(=O)[N-]O3)=CC=C2N1	REAL300028751433	0	45	0.0	-64.72	376.37	1.73	-62.99
NC1=[NH+]C2=CC(C(=O)N[C@@H]3CCC[C@H]3NC(=O)C3=CC(=O)[N-]O3)=CC=C2N1	REAL300028751433	1	45	0.0	-64.72	376.37	1.73	-62.99
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028751496	0	48	0.0	-66.26	380.58	2.33	-63.93
C[NH+](C)CCC1(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300028751512	0	57	0.0	-65.90	427.09	4.33	-61.57
CC1CCCC(C)[NH+]1CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028751514	0	57	0.0	-65.66	421.26	3.68	-61.98
C[NH+](C)C1CCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028751517	0	54	0.0	-68.69	403.33	3.28	-65.41
C[NH+](C)CCC1(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028751518	0	51	0.0	-72.97	405.27	3.01	-69.96
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028751523	0	54	0.0	-68.72	403.33	3.29	-65.43
C[N@@H+]1CC=CCC1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028751524	0	49	0.0	-68.17	383.46	2.53	-65.64
C[N@H+]1CC=CCC1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028751524	1	49	0.0	-69.86	382.24	2.65	-67.21
CC1=CC(C=CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=C[NH+]=C1N	REAL300028751604	1	48	0.0	-69.81	396.22	1.55	-68.26
C[NH+](C)CCOCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028751621	0	48	0.0	-66.48	388.10	1.51	-64.97
CCCCC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028751629	0	56	0.0	-68.16	435.91	4.08	-64.08
CCCCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028751629	1	56	0.0	-68.40	435.91	4.06	-64.34
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)O1	REAL300028751646	0	52	0.0	-69.04	409.75	2.55	-66.49
[NH2+]=C1SC=CN1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028751683	0	41	0.0	-62.33	358.38	0.74	-61.59
C[C@@H](OCC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028751805	0	51	0.0	-66.14	408.02	2.21	-63.93
C[NH+]1CCC(O)(C2(C(=O)N[C@@H]3CCC[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028751810	0	56	0.0	-64.88	421.85	1.48	-63.40
O=C(CC[NH+]1CCCCCC1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028751903	0	54	0.0	-69.88	405.04	3.23	-66.65
O=C(C[NH+]1CCCCC1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028751909	0	48	0.0	-67.03	372.77	2.47	-64.56
C[N@@H+]1CCCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028751911	0	48	0.0	-68.92	375.62	2.23	-66.69
C[N@H+]1CCCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028751911	1	48	0.0	-58.79	370.52	2.30	-56.49
O=C(C[NH+]1CCC(CO)CC1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028751913	1	52	0.0	-68.79	404.46	-0.24	-69.03
O=C(C[NH+]1CCCCCC1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028751919	0	51	0.0	-62.70	383.56	2.51	-60.19
CN1C=C[N+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300028751926	0	43	0.0	-62.21	362.55	4.07	-58.14
C[N@@H+]1CCCC(C(C)(C)C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028751949	0	57	0.0	-69.72	421.02	3.73	-65.99
C[N@H+]1CCCC(C(C)(C)C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028751949	1	57	0.0	-68.11	414.59	3.14	-64.97
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)O1	REAL300028751955	1	48	0.0	-75.35	395.59	2.39	-72.96
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C=N1	REAL300028751965	0	50	0.0	-71.43	406.17	2.48	-68.95
O=C(C[NH+]1CCC(O)CC1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028751989	1	49	0.0	-70.44	383.87	-0.89	-71.33
C[N@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028751997	0	45	0.0	-62.08	361.50	1.88	-60.20
C[N@@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028751997	1	45	0.0	-62.01	361.65	1.88	-60.13
CC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300028751999	1	53	0.0	-64.22	403.15	0.28	-63.94
O=C(CC[N@H+]1CCC(F)C1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028752007	0	48	0.0	-73.25	385.15	2.37	-70.88
O=C(CC[N@@H+]1CCC(F)C1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028752007	1	48	0.0	-71.48	386.36	2.24	-69.24
COC1C[N@H+](C)C(C)(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028752026	0	52	0.0	-59.04	402.17	1.22	-57.82
COC1C[N@@H+](C)C(C)(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028752026	1	52	0.0	-70.22	402.33	1.10	-69.12
C[NH+](C)CCC1=CC=CC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300028752049	0	54	0.0	-72.35	431.94	4.87	-67.48
CC(CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300028752056	0	50	0.0	-68.42	388.30	2.56	-65.86
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CC[N@@H+]2CCOCC12)C1=CC(=O)[N-]O1	REAL300028752083	0	50	0.0	-70.29	390.26	0.81	-69.48
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CC[N@H+]2CCOCC12)C1=CC(=O)[N-]O1	REAL300028752083	1	50	0.0	-62.04	387.41	0.75	-61.29
CC1=[NH+]C=C2C=CC(C(=O)N[C@@H]3CCC[C@H]3NC(=O)C3=CC(=O)[N-]O3)=CN21	REAL300028752093	0	46	0.0	-65.40	382.64	3.88	-61.52
C[N@@H+]1CCOCC1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028752119	1	49	0.0	-62.07	374.16	0.28	-61.79
C[N@H+]1CCOCC1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028752119	1	49	0.0	-66.29	374.17	0.27	-66.02
C[NH+](C)CC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300028752131	0	54	0.0	-73.49	427.64	4.63	-68.86
CC[NH+]1CCN(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028752137	0	53	0.0	-65.86	409.39	0.66	-65.20
CC1=CC(N)=[NH+]C=C1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028752220	1	44	0.0	-64.48	361.39	0.18	-64.30
NC1=CC=C(CCC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C=[NH+]1	REAL300028752223	0	47	0.0	-64.68	391.25	0.96	-63.72
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1(CC[NH+]2CCCCC2)CC1)C1=CC(=O)[N-]O1	REAL300028752256	0	58	0.0	-70.67	448.64	4.90	-65.77
CC1(O)CC[N@H+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028752298	0	49	0.0	-66.26	387.50	-1.06	-67.32
CC1(O)CC[N@@H+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028752298	1	49	0.0	-67.00	387.44	-1.00	-68.00
C[NH+](C)CCN1N=CC=C1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028752309	0	51	0.0	-66.55	410.97	2.02	-64.53
C[NH+]1CC(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028752352	0	45	0.0	-64.75	363.52	1.29	-63.46
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CC[N@@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300028752358	0	52	0.0	-66.11	397.03	3.08	-63.03
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CC[N@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300028752358	1	52	0.0	-65.64	395.52	3.01	-62.63
C[N@H+](CCO)CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028752418	0	48	0.0	-67.27	381.77	-1.46	-68.73
C[N@@H+](CCO)CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028752418	1	48	0.0	-65.92	381.75	-1.48	-67.40
C[C@@H](C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028752419	0	44	0.0	-64.49	349.14	1.00	-63.49
C[N@@H+]1CCCCC1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028752447	0	51	0.0	-56.43	383.96	2.54	-53.89
C[N@H+]1CCCCC1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028752447	1	51	0.0	-60.65	383.97	2.52	-58.13
CC1=C2C=C(C(=O)N[C@@H]3CCC[C@H]3NC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300028752482	1	46	0.0	-71.12	383.40	4.67	-66.45
CC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300028752483	1	48	0.0	-61.17	380.10	2.19	-58.98
CC1CC[N@@H+]1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028752489	1	45	0.0	-64.67	362.60	1.64	-63.03
CC1CC[N@H+]1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028752489	1	45	0.0	-65.50	362.38	1.72	-63.78
C[NH+](C)CC=CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028752510	0	45	0.0	-71.08	367.01	1.80	-69.28
O=C(CCCC[NH+]1CCCCC1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028752543	0	57	0.0	-69.11	438.03	4.61	-64.50
CC1=C(C)[NH+]=C(CCC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)N1	REAL300028752560	1	49	0.0	-63.33	401.28	1.88	-61.45
C[N@@H+]1CCC2=C(C1)SC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)=C2	REAL300028752561	1	49	0.0	-72.67	406.31	3.54	-69.13
C[N@H+]1CCC2=C(C1)SC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)=C2	REAL300028752561	1	49	0.0	-72.84	406.33	3.52	-69.32
C[NH+]1CCC(C2(C(=O)N[C@@H]3CCC[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028752575	0	55	0.0	-60.64	420.50	4.14	-56.50
CC1=C2C=C(C(=O)N[C@@H]3CCC[C@H]3NC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300028752586	1	46	0.0	-71.12	383.40	4.67	-66.45
C[NH+](C)CCSCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028752602	0	48	0.0	-70.34	399.13	2.40	-67.94
CC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[N@H+](C)CC1=CC=CC=C1	REAL300028752624	0	54	0.0	-65.63	427.19	4.47	-61.16
CC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[N@@H+](C)CC1=CC=CC=C1	REAL300028752624	1	54	0.0	-66.21	425.79	4.59	-61.62
NC1=[NH+]C2=C(C=C1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)CCCC2	REAL300028752628	1	51	0.0	-56.37	402.82	2.28	-54.09
O=C(C[N@H+]1CCCC1CO)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028752637	0	49	0.0	-64.51	380.93	-1.39	-65.90
O=C(C[N@@H+]1CCCC1CO)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028752637	1	49	0.0	-65.75	384.18	-0.79	-66.54
CC[NH+](CC)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028752640	0	47	0.0	-62.20	363.80	1.55	-60.65
C[N@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300028752657	0	49	0.0	-69.60	391.56	2.72	-66.88
C[N@@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300028752657	1	49	0.0	-68.76	391.55	2.71	-66.05
CC[NH+](CC)CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028752727	0	50	0.0	-68.05	388.99	2.53	-65.52
NC(=O)C1CC[NH+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028752753	1	52	0.0	-80.36	408.70	-0.87	-81.23
C[NH+](C)CC1=CNC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300028752817	0	49	0.0	-71.92	397.42	1.86	-70.06
CC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300028752843	1	52	0.0	-68.96	401.89	-0.49	-69.45
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CC2COCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300028752852	0	50	0.0	-69.54	389.72	0.94	-68.60
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CC2COCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300028752852	1	50	0.0	-67.79	389.50	0.96	-66.83
CC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300028752874	1	45	0.0	-64.21	359.23	1.66	-62.55
CCC(CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300028752888	0	53	0.0	-68.64	403.85	3.41	-65.23
NC1=CC=C(C=CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C=[NH+]1	REAL300028752897	0	45	0.0	-67.26	379.61	0.68	-66.58
C[NH+](C)CC(C)(C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028752898	0	50	0.0	-65.94	381.11	2.28	-63.66
C[NH+](C)C(CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300028752945	0	54	0.0	-70.19	422.16	4.46	-65.73
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028752988	0	48	0.0	-66.45	363.69	2.02	-64.43
C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028752988	1	48	0.0	-62.81	374.15	2.07	-60.74
CC1CN2CC[N@@H+]1CC2C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028753006	0	51	0.0	-71.16	385.11	-0.57	-71.73
CC1CN2CC[N@H+]1CC2C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028753006	1	51	0.0	-68.83	382.33	-0.49	-69.32
C[NH+](C)CC(O)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028753042	0	48	0.0	-69.18	384.85	-0.51	-69.69
C[NH+]1C2CCC1CC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028753045	0	52	0.0	-69.83	391.05	2.83	-67.00
C#CC1(O)CC[NH+](C(C)C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028753087	1	54	0.0	-64.25	425.91	0.34	-63.91
C=CCC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028753102	0	48	0.0	-66.19	374.61	2.13	-64.06
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CC2CCCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300028753118	0	52	0.0	-66.74	399.77	3.23	-63.51
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CC2CCCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300028753118	1	52	0.0	-65.43	398.40	3.33	-62.10
C[NH+]1CCC(C)(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028753136	0	51	0.0	-62.57	388.28	2.68	-59.89
C[NH+]1CCC(O)(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028753142	0	52	0.0	-71.06	401.58	0.88	-70.18
COCC[N@@H+]1CCCC1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028753161	0	55	0.0	-63.37	421.07	1.80	-61.57
COCC[N@H+]1CCCC1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028753161	1	55	0.0	-66.09	428.78	1.99	-64.10
C[NH+]1C2CCC1CC(CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028753177	0	55	0.0	-68.87	398.27	2.92	-65.95
C[NH+](C)CCN1N=CC=C1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028753222	0	51	0.0	-66.55	410.97	2.02	-64.53
C[N@@H+]1CCC2=C(C1)SC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)=C2	REAL300028753264	1	49	0.0	-72.67	406.31	3.54	-69.13
C[N@H+]1CCC2=C(C1)SC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)=C2	REAL300028753264	1	49	0.0	-72.84	406.33	3.52	-69.32
C[NH+]1CCC(C2(C(=O)N[C@@H]3CCC[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028753276	0	55	0.0	-60.64	420.50	4.14	-56.50
CC1=C2C=C(C(=O)N[C@@H]3CCC[C@H]3NC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300028753289	1	46	0.0	-71.12	383.40	4.67	-66.45
C[NH+](C)CCSCC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028753304	0	48	0.0	-70.34	399.13	2.40	-67.94
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CC2COCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300028753316	0	50	0.0	-69.54	389.72	0.94	-68.60
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CC2COCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300028753316	1	50	0.0	-67.79	389.50	0.96	-66.83
C[N@@H+]1CCCC1C(=O)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028753480	0	49	0.0	-68.89	364.82	2.93	-65.96
C[N@H+]1CCCC1C(=O)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028753480	1	49	0.0	-66.75	365.08	2.80	-63.95
CC(C(=O)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+]1CCCCCC1	REAL300028753669	0	58	0.0	-64.95	415.27	4.85	-60.10
CC(C)[N@@H+]1CCCC1C(=O)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028753688	0	55	0.0	-67.01	391.70	4.34	-62.67
CC(C)[N@H+]1CCCC1C(=O)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028753688	1	55	0.0	-64.44	404.86	4.49	-59.95
O=C(N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC2CCCC[N@@H+]2C1	REAL300028753702	0	56	0.0	-65.52	412.78	4.97	-60.55
O=C(N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC2CCCC[N@H+]2C1	REAL300028753702	1	56	0.0	-66.29	412.84	5.13	-61.16
CC(C)C1=[NH+]C=CN1CC(=O)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028753722	1	53	0.0	-64.36	411.13	4.99	-59.37
CC1=[NH+]C=CN1CC(=O)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028753752	1	47	0.0	-66.22	374.73	3.88	-62.34
CC(C[NH+]1CCOCC1)C(=O)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028753754	1	56	0.0	-70.76	416.83	3.13	-67.63
O=C(CCC[NH+]1CCCCC1)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028753768	0	58	0.0	-69.39	431.43	5.46	-63.93
O=C(N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2)C1C[NH+]2CCC1CC2	REAL300028753794	0	53	0.0	-74.16	386.46	4.18	-69.98
O=C(N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2)C1CCCC2CCC[N@@H+]21	REAL300028753835	0	56	0.0	-67.89	401.02	4.68	-63.21
O=C(N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2)C1CCCC2CCC[N@H+]21	REAL300028753835	1	56	0.0	-67.68	400.41	4.63	-63.05
C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2N(C(=O)C2=CC(=O)[N-]O2)CC3)CC[N@@H+]1C	REAL300028753849	0	52	0.0	-67.96	383.06	3.60	-64.36
C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2N(C(=O)C2=CC(=O)[N-]O2)CC3)CC[N@H+]1C	REAL300028753849	1	52	0.0	-72.26	386.33	3.31	-68.95
CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2N(C(=O)C2=CC(=O)[N-]O2)CC3)CC[N@@H+]1C	REAL300028753853	0	55	0.0	-68.20	402.33	4.07	-64.13
CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2N(C(=O)C2=CC(=O)[N-]O2)CC3)CC[N@H+]1C	REAL300028753853	1	55	0.0	-66.34	406.29	4.51	-61.83
CC[N@@H+]1CCOC(C(=O)N[C@]23CCC[C@H]2N(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028753865	1	53	0.0	-75.91	400.60	3.29	-72.62
CC[N@H+]1CCOC(C(=O)N[C@]23CCC[C@H]2N(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028753865	1	53	0.0	-73.34	393.56	3.10	-70.24
CC[NH+](CC)CC(F)C(=O)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028753901	0	54	0.0	-69.89	404.32	3.99	-65.90
CC1CCC(C)[NH+]1CC(=O)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028753962	0	55	0.0	-65.96	404.97	4.44	-61.52
O=C(CCC[NH+]1CCCC1)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028753968	0	55	0.0	-68.62	414.32	4.87	-63.75
C[NH+](C)CC1=CC=CC(C(=O)N[C@]23CCC[C@H]2N(C(=O)C2=CC(=O)[N-]O2)CC3)=C1	REAL300028753969	0	55	0.0	-70.76	424.01	5.70	-65.06
C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2N(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300028753973	0	54	0.0	-72.94	415.33	5.10	-67.84
O=C(CC[NH+]1CCCCC1)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028753974	0	55	0.0	-72.20	408.49	4.55	-67.65
CC(C)C[N@@H+]1CCC(C(=O)N[C@]23CCC[C@H]2N(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028753996	0	58	0.0	-71.00	429.23	5.12	-65.88
CC(C)C[N@H+]1CCC(C(=O)N[C@]23CCC[C@H]2N(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028753996	1	58	0.0	-67.04	430.06	5.38	-61.66
CC(C)[N@@H+]1CCCC1CC(=O)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028754001	0	58	0.0	-69.32	416.78	4.43	-64.89
CC(C)[N@H+]1CCCC1CC(=O)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028754001	1	58	0.0	-69.77	413.61	4.33	-65.44
C[N@H+](CC(=O)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2)C1CCC1	REAL300028754053	0	52	0.0	-67.95	391.72	4.24	-63.71
C[N@@H+](CC(=O)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2)C1CCC1	REAL300028754053	1	52	0.0	-70.46	390.26	4.06	-66.40
CC(C(=O)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+]1C(C)CCC1C	REAL300028754102	0	58	0.0	-62.84	414.89	4.87	-57.97
CN(CCC(=O)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2)C1=CC=[NH+]C=C1	REAL300028754151	0	54	0.0	-63.85	419.98	4.05	-59.80
C[N@@H+]1CCCC1CCC(=O)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028754164	0	55	0.0	-69.27	412.74	4.77	-64.50
C[N@H+]1CCCC1CCC(=O)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028754164	1	55	0.0	-67.90	408.04	4.31	-63.59
O=C(N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2)C1CCC2CCCC[N@@H+]21	REAL300028754178	0	56	0.0	-66.44	411.94	5.03	-61.41
O=C(N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2)C1CCC2CCCC[N@H+]21	REAL300028754178	1	56	0.0	-63.26	413.43	5.15	-58.11
O=C(CCCC[NH+]1CCCC1)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028754196	0	58	0.0	-68.78	435.82	5.65	-63.13
C[N@H+](CC(=O)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2)CC1=CC=CC=C1	REAL300028754198	1	55	0.0	-74.07	422.16	5.85	-68.22
C[N@@H+](CC(=O)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2)CC1=CC=CC=C1	REAL300028754198	1	55	0.0	-73.85	422.08	5.86	-67.99
C[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2N(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300028754209	0	52	0.0	-72.33	390.64	3.94	-68.39
C[NH+](C)CC1=CC(C(=O)N[C@]23CCC[C@H]2N(C(=O)C2=CC(=O)[N-]O2)CC3)=NO1	REAL300028754238	1	51	0.0	-76.62	403.59	3.38	-73.24
CC1=C(C(=O)N[C@]23CCC[C@H]2N(C(=O)C2=CC(=O)[N-]O2)CC3)C=CC2=C[NH+]=CN21	REAL300028754239	0	50	0.0	-70.92	396.38	5.83	-65.09
O=C(N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2)C1=CN2C=[NH+]C=C2C=C1	REAL300028754371	0	47	0.0	-69.16	375.63	5.77	-63.39
CC1=[NH+]C=CN1CCCC(=O)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028754380	1	53	0.0	-66.35	416.50	5.15	-61.20
C[NH+](C)CC1=CC=C(C(=O)N[C@]23CCC[C@H]2N(C(=O)C2=CC(=O)[N-]O2)CC3)C=C1	REAL300028754385	0	55	0.0	-74.93	423.61	5.73	-69.20
O=C(CC[NH+]1CCOCC1)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028754386	1	53	0.0	-72.74	400.63	2.28	-70.46
CC1=C[NH+]=CN1CC(=O)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028754411	1	47	0.0	-67.54	375.10	4.62	-62.92
O=C(CN1C=[NH+]C2=C1CCCC2)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028754417	1	54	0.0	-66.52	416.94	6.35	-60.17
C[NH+](C)C1CCCC(C(=O)N[C@]23CCC[C@H]2N(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028754470	0	58	0.0	-65.05	417.77	4.93	-60.12
C[N@@H+]1CCC(CC(=O)N[C@]23CCC[C@H]2N(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028754473	0	52	0.0	-70.14	391.99	3.85	-66.29
C[N@H+]1CCC(CC(=O)N[C@]23CCC[C@H]2N(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028754473	1	52	0.0	-71.09	392.00	3.99	-67.10
CCC(C(=O)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300028754488	0	51	0.0	-68.17	376.17	3.21	-64.96
C[NH+](C)C1(CC(=O)N[C@]23CCC[C@H]2N(C(=O)C2=CC(=O)[N-]O2)CC3)CCCC1	REAL300028754501	0	58	0.0	-70.40	409.60	4.85	-65.55
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C[N@H+]1CCCCC1CCC(=O)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028756792	1	58	0.0	-69.44	419.41	4.99	-64.45
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O=C(N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC[N@H+]2CCOCC12	REAL300028756816	1	54	0.0	-71.27	405.26	2.57	-68.70
CC1=[NH+]C=C2C=CC(C(=O)N[C@]34CCC[C@H]3N(C(=O)C3=CC(=O)[N-]O3)CC4)=CN21	REAL300028756821	0	50	0.0	-65.32	397.05	5.53	-59.79
CN1CCOCC1CC(=O)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028756838	0	53	0.0	-73.26	396.28	2.21	-71.05
C[N@@H+]1CCOCC1CC(=O)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028756838	1	53	0.0	-77.29	394.69	1.91	-75.38
C[N@H+]1CCOCC1CC(=O)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028756838	1	53	0.0	-73.26	396.28	2.21	-71.05
CC1=C(C)[NH+]=C(CCC(=O)N[C@]23CCC[C@H]2N(C(=O)C2=CC(=O)[N-]O2)CC3)N1	REAL300028756846	1	53	0.0	-64.21	415.73	3.55	-60.66
C[N@@H+]1CCCC1C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028757014	0	49	0.0	-67.74	367.18	3.02	-64.72
C[N@H+]1CCCC1C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028757014	1	49	0.0	-67.23	369.01	3.10	-64.13
CC1=[NH+]C=CN1CCCC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028757200	1	53	0.0	-65.96	419.38	5.31	-60.65
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)C=C1	REAL300028757205	0	55	0.0	-77.63	420.91	5.31	-72.32
O=C(CC[NH+]1CCOCC1)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028757206	1	53	0.0	-74.67	402.50	2.28	-72.39
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C[NH+](C)C1CCCC(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)C1	REAL300028757284	0	58	0.0	-65.63	415.78	4.72	-60.91
C[N@@H+]1CCC(CC(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)C1	REAL300028757287	0	52	0.0	-70.24	395.38	3.98	-66.26
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CCC(C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12)[NH+](C)C	REAL300028757302	0	51	0.0	-64.54	379.50	3.62	-60.92
C[NH+](C)CCCCC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028757361	0	54	0.0	-70.02	413.74	4.54	-65.48
CCC[N@H+](C)CCC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028757381	0	54	0.0	-69.43	409.94	4.54	-64.89
CCC[N@@H+](C)CCC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028757381	1	54	0.0	-69.60	409.93	4.54	-65.06
CCC[N@H+](C)CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028757385	0	51	0.0	-67.46	387.60	3.97	-63.49
CCC[N@@H+](C)CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028757385	1	51	0.0	-70.56	386.13	3.64	-66.92
O=C(N[C@]12CCC[C@H]1N(C(=O)C13CC[N@H+](C1)CCC3)CC2)C1=CC(=O)[N-]O1	REAL300028757403	0	53	0.0	-69.39	380.85	3.36	-66.03
O=C(N[C@]12CCC[C@H]1N(C(=O)C13CC[N@@H+](C1)CCC3)CC2)C1=CC(=O)[N-]O1	REAL300028757403	1	53	0.0	-68.43	382.19	3.39	-65.04
CCCCCC[N@H+](C)CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028757432	0	60	0.0	-71.83	450.62	5.99	-65.84
CCCCCC[N@@H+](C)CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028757432	1	60	0.0	-68.51	452.10	6.32	-62.19
CC1CC[NH+](CC(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)CC1	REAL300028757467	0	55	0.0	-67.85	410.94	4.85	-63.00
C[NH+]1CCC(OCC(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)CC1	REAL300028757489	0	56	0.0	-73.47	428.30	4.70	-68.77
O=C(N[C@]12CCC[C@H]1N(C(=O)C1CC3CCCC[N@@H+]3C1)CC2)C1=CC(=O)[N-]O1	REAL300028757527	0	56	0.0	-69.10	412.26	4.95	-64.15
O=C(N[C@]12CCC[C@H]1N(C(=O)C1CC3CCCC[N@H+]3C1)CC2)C1=CC(=O)[N-]O1	REAL300028757527	1	56	0.0	-73.04	412.02	4.78	-68.26
C[NH+](C)CC1(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)CC1	REAL300028757537	0	52	0.0	-70.23	397.67	3.96	-66.27
CC1=[NH+]C=C2CCC(C(=O)N3CC[C@@]4(NC(=O)C5=CC(=O)[N-]O5)CCC[C@@H]34)CN21	REAL300028757538	1	54	0.0	-64.92	415.59	4.84	-60.08
CC(C)[NH+]1CCC(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)CC1	REAL300028757548	0	58	0.0	-68.43	427.18	5.25	-63.18
CC[N@H+](C)CCC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028757570	0	51	0.0	-68.73	388.44	3.79	-64.94
CC[N@@H+](C)CCC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028757570	1	51	0.0	-68.90	388.44	3.80	-65.10
O=C(N[C@]12CCC[C@H]1N(C(=O)C1C[NH+]3CCC1CC3)CC2)C1=CC(=O)[N-]O1	REAL300028757600	0	53	0.0	-74.58	385.43	4.00	-70.58
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CC[NH+](CC)CC(F)C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028757756	0	54	0.0	-69.06	404.94	3.92	-65.14
CC(C)C[N@@H+]1CCC(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)C1	REAL300028757783	0	58	0.0	-70.18	428.01	5.06	-65.12
CC(C)C[N@H+]1CCC(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)C1	REAL300028757783	1	58	0.0	-70.32	427.09	5.03	-65.29
CCC(C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12)[NH+](CC)CC	REAL300028757808	0	57	0.0	-61.00	409.58	4.56	-56.44
CC1CCC[N@@H+]1CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028757824	0	52	0.0	-67.61	392.13	3.99	-63.62
CC1CCC[N@H+]1CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028757824	1	52	0.0	-64.13	386.96	3.76	-60.37
CC(C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12)[NH+]1CCCCCC1	REAL300028757885	0	58	0.0	-66.47	415.17	4.53	-61.94
CC(C)[N@@H+]1CCCC1C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028757904	0	55	0.0	-62.39	403.19	4.33	-58.06
CC(C)[N@H+]1CCCC1C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028757904	1	55	0.0	-65.48	401.69	4.17	-61.31
CC(C)[N@@H+]1CCCC1CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028757909	0	58	0.0	-62.80	415.73	4.35	-58.45
CC(C)[N@H+]1CCCC1CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028757909	1	58	0.0	-68.83	429.23	4.92	-63.91
CC1CC[N@H+](CC(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)C1	REAL300028757939	0	52	0.0	-66.38	394.69	4.19	-62.19
CC1CC[N@@H+](CC(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)C1	REAL300028757939	1	52	0.0	-66.70	393.73	4.27	-62.43
CC1=[NH+]C=C2CC(C(=O)N3CC[C@@]4(NC(=O)C5=CC(=O)[N-]O5)CCC[C@@H]34)CCN21	REAL300028757940	1	54	0.0	-68.20	411.68	4.72	-63.48
CC1(C)CC[N@H+](CC(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)C1	REAL300028757943	0	55	0.0	-69.84	412.47	4.48	-65.36
CC1(C)CC[N@@H+](CC(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)C1	REAL300028757943	1	55	0.0	-66.63	413.56	4.61	-62.02
C[N@H+](CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12)CC(C)(C)C	REAL300028757944	0	57	0.0	-70.40	414.74	4.63	-65.77
C[N@@H+](CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12)CC(C)(C)C	REAL300028757944	1	57	0.0	-66.79	418.10	4.94	-61.85
CC[C@@H](C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12)[NH+](C)C	REAL300028757951	0	51	0.0	-66.54	374.35	3.08	-63.46
CN(CCC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12)C1=CC=[NH+]C=C1	REAL300028758066	0	54	0.0	-63.40	423.22	4.23	-59.17
CC1=[NH+]C=CN1CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028758144	1	47	0.0	-64.67	377.79	3.97	-60.70
CC(C[NH+]1CCOCC1)C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028758146	1	56	0.0	-70.04	415.38	2.80	-67.24
O=C(CCC[NH+]1CCCCC1)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028758160	0	58	0.0	-71.16	432.74	5.50	-65.66
C[NH+](C)CC1=CC(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)=NO1	REAL300028758173	1	51	0.0	-77.05	402.50	3.43	-73.62
CC1=C(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)C=CC2=C[NH+]=CN21	REAL300028758174	0	50	0.0	-67.05	401.54	6.18	-60.87
CC(C)C1=[NH+]C=CN1CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028758207	1	53	0.0	-62.56	414.29	5.25	-57.31
O=C(N[C@]12CCC[C@H]1N(C(=O)C1CCCC3CCC[N@@H+]31)CC2)C1=CC(=O)[N-]O1	REAL300028758240	0	56	0.0	-60.62	408.61	4.89	-55.73
O=C(N[C@]12CCC[C@H]1N(C(=O)C1CCCC3CCC[N@H+]31)CC2)C1=CC(=O)[N-]O1	REAL300028758240	1	56	0.0	-65.45	411.78	4.97	-60.48
CC[N@@H+]1CCOC(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)C1	REAL300028758259	1	53	0.0	-75.29	399.42	3.48	-71.81
CC[N@H+]1CCOC(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)C1	REAL300028758259	1	53	0.0	-74.05	390.30	2.92	-71.13
O=C(N[C@]12CCC[C@H]1N(C(=O)C1=CN3C=[NH+]C=C3C=C1)CC2)C1=CC(=O)[N-]O1	REAL300028758299	0	47	0.0	-73.04	381.87	5.65	-67.39
CC1=C[NH+]=CN1CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028758304	1	47	0.0	-66.00	378.16	4.71	-61.29
C[C@@H]1[C@H](C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)CC[N@@H+]1C	REAL300028758318	0	52	0.0	-69.41	383.59	3.44	-65.97
C[C@@H]1[C@H](C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)CC[N@H+]1C	REAL300028758318	1	52	0.0	-70.23	388.53	3.80	-66.43
CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)CC[N@@H+]1C	REAL300028758322	0	55	0.0	-70.88	405.03	3.88	-67.00
CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)CC[N@H+]1C	REAL300028758322	1	55	0.0	-68.21	408.24	4.34	-63.87
CC1CCC(C)[NH+]1CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028758332	0	55	0.0	-62.96	403.62	4.36	-58.60
O=C(CCC[NH+]1CCCC1)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028758338	0	55	0.0	-68.45	417.19	4.88	-63.57
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O=C(CN1C=[NH+]C2=C1CCCC2)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028758356	1	54	0.0	-67.80	418.77	6.30	-61.50
C[NH+](C)C1(CC(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)CCCC1	REAL300028758383	0	58	0.0	-70.06	412.24	4.84	-65.22
C[N@H+](CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12)C1CCC1	REAL300028758517	0	52	0.0	-65.40	394.47	4.54	-60.86
C[N@@H+](CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12)C1CCC1	REAL300028758517	1	52	0.0	-68.05	393.13	4.20	-63.85
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C[N@H+](CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12)CC1=CC=CC=C1	REAL300028758550	1	55	0.0	-74.94	423.83	5.82	-69.12
C[N@@H+](CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12)CC1=CC=CC=C1	REAL300028758550	1	55	0.0	-74.75	423.85	5.82	-68.93
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C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028758596	0	49	0.0	-67.35	366.16	2.98	-64.37
C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028758596	1	49	0.0	-64.99	370.40	3.17	-61.82
C[N@@H+]1CCCC1CCC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028758622	0	55	0.0	-68.69	415.90	4.87	-63.82
C[N@H+]1CCCC1CCC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028758622	1	55	0.0	-70.99	415.91	5.06	-65.93
O=C(N[C@]12CCC[C@H]1N(C(=O)C1CCC3CCCC[N@@H+]31)CC2)C1=CC(=O)[N-]O1	REAL300028758636	0	56	0.0	-61.74	408.77	4.98	-56.76
O=C(N[C@]12CCC[C@H]1N(C(=O)C1CCC3CCCC[N@H+]31)CC2)C1=CC(=O)[N-]O1	REAL300028758636	1	56	0.0	-66.46	407.97	4.68	-61.78
CCC[N@@H+]1CCCC(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)C1	REAL300028758696	0	58	0.0	-70.68	429.87	5.12	-65.56
CCC[N@H+]1CCCC(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)C1	REAL300028758696	1	58	0.0	-68.87	421.50	5.29	-63.58
CC(C)[N@@H+]1CCOC(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)C1	REAL300028758709	1	56	0.0	-74.27	416.60	3.95	-70.32
CC(C)[N@H+]1CCOC(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)C1	REAL300028758709	1	56	0.0	-70.54	415.35	3.94	-66.60
O=C(C[NH+]1CCC(CO)CC1)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028758766	0	56	0.0	-69.00	422.47	1.57	-67.43
CC1C(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)CC[N@@H+]1C	REAL300028758809	0	52	0.0	-69.35	387.48	3.94	-65.41
CC1C(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)CC[N@H+]1C	REAL300028758809	1	52	0.0	-67.93	385.42	3.41	-64.52
C[N@@H+]1CCCCC1CCC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028758811	0	58	0.0	-68.94	428.26	5.17	-63.77
C[N@H+]1CCCCC1CCC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028758811	1	58	0.0	-67.31	430.06	5.46	-61.85
NC1=[NH+]C2=C(C=C1C(=O)N1CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]13)CCC2	REAL300028758837	1	52	0.0	-61.73	400.90	2.99	-58.74
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028758886	0	55	0.0	-66.91	408.16	3.91	-63.00
CC(C)(C)[N@H+]1CCC1C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028758886	1	55	0.0	-66.08	407.72	3.91	-62.17
C[C@@H](C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12)[NH+](C)C	REAL300028758904	0	48	0.0	-65.26	365.34	2.70	-62.56
C[NH+](C)CC1=CC(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)=CC=N1	REAL300028758918	1	54	0.0	-69.55	418.13	4.13	-65.42
C=CCC(C)(C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12)[NH+](C)C	REAL300028758922	0	55	0.0	-62.54	393.46	3.79	-58.75
O=C(CC[NH+]1CCCC1)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028758947	0	52	0.0	-68.27	396.68	4.29	-63.98
C[N@H+](CCO)CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028758956	1	49	0.0	-67.34	376.46	-0.01	-67.35
C[N@@H+](CCO)CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028758956	1	49	0.0	-70.88	374.77	-0.34	-71.22
O=C(N[C@]12CCC[C@H]1N(C(=O)C1C[N@@H+]3CCN1CCC3)CC2)C1=CC(=O)[N-]O1	REAL300028758989	0	55	0.0	-77.52	395.57	1.96	-75.56
O=C(N[C@]12CCC[C@H]1N(C(=O)C1C[N@H+]3CCN1CCC3)CC2)C1=CC(=O)[N-]O1	REAL300028758989	1	55	0.0	-69.34	395.20	1.61	-67.73
CC(C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12)[NH+]1CCSCC1	REAL300028759008	1	53	0.0	-67.40	406.48	4.30	-63.10
C[N@H+]1CC=C(CC(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)CC1	REAL300028759041	0	53	0.0	-67.70	407.53	4.71	-62.99
C[N@@H+]1CC=C(CC(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)CC1	REAL300028759041	1	53	0.0	-66.32	407.70	4.89	-61.43
C[S+](C)CCC(O)C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028759053	0	51	0.0	-72.26	408.54	1.68	-70.58
CN1CC[N@H+](C)CC(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)C1	REAL300028759082	0	57	0.0	-65.06	421.10	2.34	-62.72
CN1CC[N@@H+](C)CC(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)C1	REAL300028759082	1	57	0.0	-66.20	419.83	2.40	-63.80
CC(C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12)[N@@H+]1CCCC(O)C1	REAL300028759083	0	56	0.0	-63.62	417.75	1.21	-62.41
CC(C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12)[N@H+]1CCCC(O)C1	REAL300028759083	1	56	0.0	-67.48	414.66	1.31	-66.17
C[N@@H+]1CCCC(O)(CC(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)C1	REAL300028759114	0	56	0.0	-65.95	408.51	2.55	-63.40
C[N@H+]1CCCC(O)(CC(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)C1	REAL300028759114	1	56	0.0	-66.85	417.95	2.62	-64.23
CC1C[NH+](CC(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)C1	REAL300028759118	1	49	0.0	-67.34	379.52	3.47	-63.87
CC[N@@H+]1CCCC(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)C1	REAL300028759123	0	55	0.0	-63.41	400.31	4.38	-59.03
CC[N@H+]1CCCC(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)C1	REAL300028759123	1	55	0.0	-61.38	399.81	4.70	-56.68
NC1=[NH+]C=CC=C1CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028759129	0	48	0.0	-66.89	381.49	2.07	-64.82
O=C(N[C@]12CCC[C@H]1N(C(=O)C1CCC[N@@H+]1C1CC1)CC2)C1=CC(=O)[N-]O1	REAL300028759140	0	53	0.0	-66.97	398.22	4.16	-62.81
O=C(N[C@]12CCC[C@H]1N(C(=O)C1CCC[N@H+]1C1CC1)CC2)C1=CC(=O)[N-]O1	REAL300028759140	1	53	0.0	-66.15	388.84	4.03	-62.12
O=C(C=CC[NH+]1CCCC1)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028759179	0	53	0.0	-69.72	409.80	4.94	-64.78
O=C(N[C@]12CCC[C@H]1N(C(=O)C1CC[NH+](C3CC3)CC1)CC2)C1=CC(=O)[N-]O1	REAL300028759200	0	56	0.0	-68.38	422.11	5.48	-62.90
CC[N@H+](C)CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028759236	0	48	0.0	-67.00	366.08	3.21	-63.79
O=C(CN1CC2C=CC1C2)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028759288	0	51	0.0	-64.49	387.10	4.24	-60.25
O=C(C[N@@H+]1CC2C=CC1C2)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028759288	1	51	0.0	-66.42	385.93	4.09	-62.33
O=C(C[N@H+]1CC2C=CC1C2)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028759288	1	51	0.0	-66.42	385.93	4.09	-62.33
CC1=CC=C(NCCC(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)N=C1	REAL300028759308	0	54	0.0	-63.82	427.38	3.97	-59.85
CC1=CC=C(NCCC(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)[NH+]=C1	REAL300028759308	1	54	0.0	-63.82	427.38	3.97	-59.85
CC(OCC[NH+](C)C)C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028759414	0	55	0.0	-68.41	420.37	3.98	-64.43
C[NH+](C)CCOCCC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028759424	0	55	0.0	-66.96	425.21	3.19	-63.77
COCCN(C)CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028759426	0	52	0.0	-70.74	396.99	2.07	-68.67
COCC[N@H+](C)CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028759426	1	52	0.0	-67.44	398.71	2.39	-65.05
COCC[N@@H+](C)CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028759426	1	52	0.0	-67.44	398.71	2.39	-65.05
CC(CCC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12)[NH+](C)C	REAL300028759432	0	54	0.0	-69.88	402.04	4.12	-65.76
CC[N@H+](CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12)C1CC1	REAL300028759456	0	52	0.0	-67.60	393.92	4.26	-63.34
CC1C[N@@H+]2CCN1C(C(=O)N1CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]13)C2	REAL300028759466	0	55	0.0	-70.97	382.37	2.18	-68.79
CC1=NC(N)=CC=C1C=CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028759495	0	52	0.0	-66.50	412.47	3.21	-63.29
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028759495	1	52	0.0	-66.50	412.47	3.21	-63.29
O=C(C[N@@H+]1CC2CCC1C2)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028759501	0	53	0.0	-65.15	395.08	4.61	-60.54
O=C(C[N@H+]1CC2CCC1C2)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028759501	1	53	0.0	-65.15	395.08	4.61	-60.54
CC(C[NH+](C)C)C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028759520	0	51	0.0	-75.07	383.95	3.38	-71.69
CCN1CCC1C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028759563	0	49	0.0	-64.68	368.91	3.08	-61.60
CC[N@@H+]1CCC1C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028759563	1	49	0.0	-64.44	372.07	3.12	-61.32
CC[N@H+]1CCC1C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028759563	1	49	0.0	-64.44	372.07	3.12	-61.32
CC(C)[N@@H+]1CCCC(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)C1	REAL300028759573	0	58	0.0	-67.04	416.87	5.10	-61.94
CC(C)[N@H+]1CCCC(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)C1	REAL300028759573	1	58	0.0	-67.04	416.87	5.10	-61.94
CCC(C)(C)[NH2+]C(C)C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028759584	0	57	0.0	-66.20	407.54	2.78	-63.42
C#CCN1CCCCC1C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028759625	0	54	0.0	-66.90	400.67	4.51	-62.39
C#CC[N@H+]1CCCCC1C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028759625	1	54	0.0	-65.38	402.19	4.81	-60.57
C#CC[N@@H+]1CCCCC1C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028759625	1	54	0.0	-65.38	402.19	4.81	-60.57
CNC1=NC(C)=CC=C1C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028759626	0	51	0.0	-63.52	396.67	2.85	-60.67
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028759626	1	51	0.0	-63.52	396.67	2.85	-60.67
CCCC(C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12)[NH+](C)C	REAL300028759636	0	54	0.0	-69.81	397.43	4.02	-65.79
CC(CC[NH+](C)C)C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028759658	0	54	0.0	-75.09	405.63	4.00	-71.09
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028759754	0	55	0.0	-63.44	407.52	3.94	-59.50
C[N@H+]1CC(C)(C)CC1C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028759754	1	55	0.0	-63.44	407.52	3.94	-59.50
C[NH+](C)CCCCCC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028759759	0	57	0.0	-69.53	435.24	5.33	-64.20
O=C(CC[NH+]1CCC(O)CC1)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028759763	0	56	0.0	-72.15	423.01	1.46	-70.69
CCC[N@@H+]1CCCCC1C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028759766	0	58	0.0	-64.08	420.09	5.05	-59.03
CCC[N@H+]1CCCCC1C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028759766	1	58	0.0	-64.08	420.09	5.05	-59.03
CN1CCN(CC(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)CC1	REAL300028759775	0	54	0.0	-69.59	407.49	2.03	-67.56
C[NH+]1CCN(CC(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)CC1	REAL300028759775	1	54	0.0	-69.59	407.49	2.03	-67.56
CC1C[N@H+](C)CC(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)O1	REAL300028759866	1	53	0.0	-74.45	402.38	3.35	-71.10
CC1C[N@@H+](C)CC(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)O1	REAL300028759866	1	53	0.0	-64.85	394.86	3.34	-61.51
CCC1CCC[N@H+](CC(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)C1	REAL300028759896	0	58	0.0	-67.24	422.32	5.61	-61.63
CCC1CCC[N@@H+](CC(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)C1	REAL300028759896	1	58	0.0	-67.13	429.34	5.64	-61.49
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)N1	REAL300028759904	0	53	0.0	-79.74	409.29	3.83	-75.91
O=C(C[NH+]1CC2CC2C1)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028759918	0	50	0.0	-67.33	383.15	4.20	-63.13
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C[N@@H+]1CCCCC1C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028759963	0	52	0.0	-66.15	377.04	3.47	-62.68
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C[N@H+](CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12)[C@@H]1CCC[C@H]1O	REAL300028760157	0	56	0.0	-67.71	417.94	1.44	-66.27
C[N@@H+](CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12)[C@@H]1CCC[C@H]1O	REAL300028760157	1	56	0.0	-68.35	417.16	1.49	-66.86
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028760174	0	49	0.0	-64.20	369.55	3.21	-60.99
C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028760174	1	49	0.0	-64.46	367.05	2.86	-61.60
CCN1CCOCC1CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028760202	0	56	0.0	-74.12	414.70	2.72	-71.40
CC[N@@H+]1CCOCC1CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028760202	1	56	0.0	-70.58	416.54	2.99	-67.59
CC[N@H+]1CCOCC1CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028760202	1	56	0.0	-70.58	416.54	2.99	-67.59
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C[NH+](C)C1CCC(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)CC1	REAL300028760325	0	58	0.0	-74.63	421.34	4.78	-69.85
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C[N@@H+]1CC=CCC1CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028760328	0	53	0.0	-69.68	399.18	4.61	-65.07
C[N@H+]1CC=CCC1CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028760328	1	53	0.0	-69.68	399.18	4.61	-65.07
CC1=CC(C=CC(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)=CN=C1N	REAL300028760375	0	52	0.0	-71.93	411.19	3.18	-68.75
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C[NH+](C)CCOCC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028760387	0	52	0.0	-68.24	404.21	3.65	-64.59
CCCCC[N@H+](C)CCC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028760393	0	60	0.0	-73.62	451.82	5.80	-67.82
CCCCC[N@@H+](C)CCC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028760393	1	60	0.0	-73.62	451.82	5.80	-67.82
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[NH2+]=C1SC=CN1CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028760421	0	45	0.0	-62.58	375.46	2.55	-60.03
C[C@@H](OCC[NH+](C)C)C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028760483	0	55	0.0	-67.39	419.44	3.95	-63.44
O=C(CC[NH+]1CCCCCC1)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028760517	0	58	0.0	-73.09	421.23	4.88	-68.21
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C[N@@H+]1CCCC(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)C1	REAL300028760523	0	52	0.0	-68.85	388.58	3.71	-65.14
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C[N@@H+]1CCOCC1CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028760634	1	53	0.0	-73.73	399.42	2.40	-71.33
C[N@H+]1CCOCC1CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028760634	1	53	0.0	-68.03	390.37	1.94	-66.09
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C[N@@H+](CCO)CCC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028760793	1	52	0.0	-71.14	397.63	0.26	-70.88
C[C@@H](C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12)[NH+](C)C	REAL300028760794	0	48	0.0	-65.26	365.34	2.70	-62.56
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CC1=C2C=C(C(=O)N3CC[C@@]4(NC(=O)C5=CC(=O)[N-]O5)CCC[C@@H]34)C=CN2C=[NH+]1	REAL300028760831	1	50	0.0	-71.37	403.88	6.23	-65.14
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CC1CCN1CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028760835	0	49	0.0	-69.03	378.30	3.30	-65.73
CC1CC[N@@H+]1CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028760835	1	49	0.0	-66.70	379.69	3.46	-63.24
CC1CC[N@H+]1CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028760835	1	49	0.0	-69.03	378.30	3.30	-65.73
C[NH+](C)CC=CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028760846	0	49	0.0	-70.83	383.46	3.73	-67.10
CC1(C)C[NH+](CC(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)C1	REAL300028760858	1	52	0.0	-70.56	397.38	3.80	-66.76
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C[NH+](C)CCSCC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028760895	0	52	0.0	-72.39	415.24	4.51	-67.88
O=C(C[N@H+]1CCCC1CO)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028760919	0	53	0.0	-69.39	396.53	0.28	-69.11
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CC[NH+](CC)CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028760923	0	51	0.0	-68.71	383.53	3.59	-65.12
C[N@H+](CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12)C1CCSC1	REAL300028760934	0	53	0.0	-75.91	406.49	4.47	-71.44
C[N@@H+](CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12)C1CCSC1	REAL300028760934	1	53	0.0	-75.02	406.43	4.46	-70.56
O=C(C[NH+]1CCC1)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028760936	1	46	0.0	-67.86	358.35	2.80	-65.06
CC[NH+](CC)CCC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028760975	0	54	0.0	-68.67	401.98	4.05	-64.62
C[NH+](C)CC1=CNC(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)=C1	REAL300028761030	0	53	0.0	-73.44	408.51	3.75	-69.69
CC(C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12)[NH+]1CCC(O)CC1	REAL300028761045	0	56	0.0	-68.78	417.79	1.39	-67.39
O=C(N[C@]12CCC[C@H]1N(C(=O)C1CC3COCC[N@@H+]3C1)CC2)C1=CC(=O)[N-]O1	REAL300028761050	0	54	0.0	-66.34	404.80	2.73	-63.61
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CC(C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12)[NH+]1CCC1	REAL300028761063	1	49	0.0	-65.06	369.25	2.93	-62.13
CCC(CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12)C[NH+](C)C	REAL300028761070	0	57	0.0	-66.57	422.16	4.88	-61.69
NC1=CC=C(C=CC(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)C=[NH+]1	REAL300028761075	0	49	0.0	-69.19	394.93	2.77	-66.42
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028761127	0	52	0.0	-70.63	378.96	3.48	-67.15
C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028761127	1	52	0.0	-64.92	388.89	4.06	-60.86
CC1CN2CC[N@@H+]1CC2C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028761140	0	55	0.0	-75.94	396.62	0.89	-75.05
CC1CN2CC[N@H+]1CC2C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028761140	1	55	0.0	-68.04	396.11	1.09	-66.95
C[NH+](C)CC(O)CC(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028761160	0	52	0.0	-75.09	399.39	1.27	-73.82
C[NH+]1C2CCC1CC(C(=O)N1CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]13)C2	REAL300028761163	0	56	0.0	-61.64	383.85	4.29	-57.35
C=CCC(C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12)[NH+](C)C	REAL300028761195	0	52	0.0	-66.82	392.48	3.94	-62.88
O=C(N[C@]12CCC[C@H]1N(C(=O)C1CC3CCCC[N@@H+]3C1)CC2)C1=CC(=O)[N-]O1	REAL300028761202	0	56	0.0	-69.10	412.26	4.95	-64.15
O=C(N[C@]12CCC[C@H]1N(C(=O)C1CC3CCCC[N@H+]3C1)CC2)C1=CC(=O)[N-]O1	REAL300028761202	1	56	0.0	-73.04	412.02	4.78	-68.26
C[NH+]1CCC(O)(CC(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)CC1	REAL300028761211	0	56	0.0	-70.91	418.74	2.88	-68.03
CC1=C2C=C(C(=O)N[C@]34CCC[C@H]3N(C(=O)C3=CC(=O)[N-]O3)CC4)C=CN2C=[NH+]1	REAL300028761284	1	50	0.0	-69.78	397.84	6.33	-63.45
C[NH+](C)CCSCC(=O)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028761292	0	52	0.0	-72.86	412.27	4.21	-68.65
O=C(N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC2COCC[N@@H+]2C1	REAL300028761299	0	54	0.0	-67.72	403.90	2.61	-65.11
O=C(N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC2COCC[N@H+]2C1	REAL300028761299	1	54	0.0	-71.32	402.73	2.46	-68.86
C[N@@H+]1CCCC1C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028761460	0	52	0.0	-74.49	373.70	3.28	-71.21
C[N@H+]1CCCC1C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028761460	1	52	0.0	-74.66	374.28	3.32	-71.34
C[N@@H+]1CCOC(C(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)C1	REAL300028761484	1	53	0.0	-82.74	384.55	3.04	-79.70
C[N@H+]1CCOC(C(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)C1	REAL300028761484	1	53	0.0	-89.05	391.93	3.38	-85.67
CC(C)[N@@H+]1CCCC1C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028761640	0	58	0.0	-53.31	408.22	5.19	-48.12
CC(C)[N@H+]1CCCC1C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028761640	1	58	0.0	-68.49	412.75	4.98	-63.51
CC1=[NH+]C=CN1CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028761673	1	50	0.0	-55.75	384.59	4.48	-51.27
O=C(NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2)C1C[NH+]2CCC1CC2	REAL300028761701	0	56	0.0	-78.75	394.66	4.46	-74.29
C[C@@H]1[C@H](C(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)CC[N@@H+]1C	REAL300028761735	0	55	0.0	-76.76	390.65	3.86	-72.90
C[C@@H]1[C@H](C(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)CC[N@H+]1C	REAL300028761735	1	55	0.0	-58.73	397.26	4.62	-54.11
CC[C@@H]1[C@@H](C(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)CC[N@@H+]1C	REAL300028761737	0	58	0.0	-60.18	412.74	4.56	-55.62
CC[C@@H]1[C@@H](C(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)CC[N@H+]1C	REAL300028761737	1	58	0.0	-57.39	416.34	5.25	-52.14
CC[N@@H+]1CCOC(C(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)C1	REAL300028761744	1	56	0.0	-56.87	403.20	3.78	-53.09
CC[N@H+]1CCOC(C(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)C1	REAL300028761744	1	56	0.0	-72.34	402.12	3.83	-68.51
CC[NH+](CC)CC(F)C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028761772	0	57	0.0	-58.53	412.79	4.46	-54.07
CC1CCC(C)[NH+]1CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028761808	0	58	0.0	-69.32	410.95	4.62	-64.70
O=C(CCC[NH+]1CCCC1)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028761811	0	58	0.0	-74.70	423.56	5.26	-69.44
O=C(CC[NH+]1CCCCC1)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028761814	0	58	0.0	-58.82	419.50	5.32	-53.50
CC[N@@H+]1CCCCC1C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028761817	0	58	0.0	-69.75	413.18	5.00	-64.75
CC[N@H+]1CCCCC1C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028761817	1	58	0.0	-53.28	414.84	5.09	-48.19
C[NH+](C)C1(C(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)CCC1	REAL300028761828	0	55	0.0	-79.92	386.10	4.08	-75.84
CC(C)[C@@H](C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2)[NH+](C)C	REAL300028761835	0	57	0.0	-55.95	401.23	4.97	-50.98
C[N@H+](CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2)C1CCC1	REAL300028761860	0	55	0.0	-71.14	399.83	4.72	-66.42
C[N@@H+](CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2)C1CCC1	REAL300028761860	1	55	0.0	-55.57	401.39	4.85	-50.72
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028761936	1	54	0.0	-53.38	402.48	4.77	-48.61
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028761936	1	54	0.0	-70.27	406.09	5.01	-65.26
C[N@@H+]1CCCC1CCC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028761941	0	58	0.0	-78.97	421.76	5.25	-73.72
C[N@H+]1CCCC1CCC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028761941	1	58	0.0	-73.70	415.52	4.77	-68.93
C[NH+]1CCC(C(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)CC1	REAL300028761961	0	55	0.0	-78.53	399.22	4.56	-73.97
C[N@@H+]1CCCCC1C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028762000	0	55	0.0	-70.11	386.92	4.19	-65.92
C[N@H+]1CCCCC1C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028762000	1	55	0.0	-71.82	386.73	4.24	-67.58
O=C(NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2)C1=CN2C=[NH+]C=C2C=C1	REAL300028762070	0	50	0.0	-62.82	385.65	6.38	-56.44
O=C(CC[NH+]1CCOCC1)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028762077	1	56	0.0	-60.72	410.79	2.99	-57.73
CC1=C[NH+]=CN1CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028762090	1	50	0.0	-73.73	383.33	5.19	-68.54
O=C(NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2)C12CCC[NH+]1CCC2	REAL300028762111	0	56	0.0	-75.15	396.27	4.53	-70.62
C[N@@H+]1CCC(CC(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)C1	REAL300028762122	0	55	0.0	-61.72	402.53	4.58	-57.14
C[N@H+]1CCC(CC(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)C1	REAL300028762122	1	55	0.0	-76.32	401.41	4.49	-71.83
CN(C)C1=CC=[NH+]C=C1C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028762128	0	54	0.0	-57.15	406.20	3.68	-53.47
CCC(C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2)[NH+](C)C	REAL300028762130	0	54	0.0	-55.95	383.96	3.95	-52.00
O=C(NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2)C1=CC2=C[NH+]=CN2C=C1	REAL300028762157	1	50	0.0	-63.10	385.92	6.37	-56.73
C[NH+](C)CCCCC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028762189	0	57	0.0	-63.09	420.88	5.11	-57.98
CC(C)C(C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2)[NH+](C)C	REAL300028762203	0	57	0.0	-56.74	404.06	5.09	-51.65
CCC[N@H+](C)CCC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028762204	0	57	0.0	-59.87	417.08	4.83	-55.04
CCC[N@@H+](C)CCC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028762204	1	57	0.0	-76.18	415.32	4.69	-71.49
CCC[N@H+](C)CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028762208	0	54	0.0	-73.39	393.87	4.29	-69.10
CCC[N@@H+](C)CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028762208	1	54	0.0	-73.54	393.86	4.30	-69.24
O=C(NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2)C12CC[N@H+](C1)CCC2	REAL300028762223	0	56	0.0	-74.95	396.34	4.12	-70.83
O=C(NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2)C12CC[N@@H+](C1)CCC2	REAL300028762223	1	56	0.0	-76.28	396.21	4.13	-72.15
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028762249	0	52	0.0	-74.19	374.01	3.41	-70.78
C[N@H+]1CCC[C@@H]1C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028762249	1	52	0.0	-70.48	378.87	3.81	-66.67
CC[NH+](CC)CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028762284	0	54	0.0	-55.03	391.37	4.35	-50.68
CC1CC[NH+](CC(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)CC1	REAL300028762345	0	58	0.0	-73.87	416.82	5.26	-68.61
C[NH+](C)CC1(C(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)CC1	REAL300028762367	0	55	0.0	-55.74	400.22	4.61	-51.13
C[NH+]1CCC(C(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)CC1	REAL300028762420	0	55	0.0	-78.53	399.22	4.56	-73.97
CC(C)[C@H](C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2)[NH+](C)C	REAL300028762436	0	57	0.0	-56.59	404.29	5.11	-51.48
CCC(C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2)[NH+](CC)CC	REAL300028762464	0	60	0.0	-52.85	419.52	5.26	-47.59
CC[N@H+](C)CCC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028762505	0	54	0.0	-59.41	395.59	4.09	-55.32
CC[N@@H+](C)CCC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028762505	1	54	0.0	-75.44	393.83	3.95	-71.49
CC1CCC[N@@H+]1CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028762535	0	55	0.0	-70.83	399.53	4.55	-66.28
CC1CCC[N@H+]1CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028762535	1	55	0.0	-54.07	394.24	4.42	-49.65
CC1CC[N@H+](CC(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)C1	REAL300028762537	0	55	0.0	-72.60	400.19	4.51	-68.09
CC1CC[N@@H+](CC(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)C1	REAL300028762537	1	55	0.0	-72.96	400.10	4.66	-68.30
CC1(C)CC[N@H+](CC(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)C1	REAL300028762541	0	58	0.0	-72.55	419.54	5.17	-67.38
CC1(C)CC[N@@H+](CC(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)C1	REAL300028762541	1	58	0.0	-72.44	419.11	5.12	-67.32
C[N@H+](CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2)CC(C)(C)C	REAL300028762542	0	60	0.0	-73.29	422.74	5.29	-68.00
C[N@@H+](CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2)CC(C)(C)C	REAL300028762542	1	60	0.0	-56.27	425.30	5.42	-50.85
CC[C@@H](C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2)[NH+](C)C	REAL300028762550	0	54	0.0	-56.70	389.11	4.11	-52.59
C[NH+](C)CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028762654	0	48	0.0	-57.62	355.51	2.99	-54.63
O=C(C[NH+]1CCCCCC1)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028762658	0	58	0.0	-72.01	405.56	4.92	-67.09
CN1C=C[N+](CC(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)=C1	REAL300028762661	0	50	0.0	-55.78	386.74	6.50	-49.28
C[N@@H+]1CCCC(C(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)C1	REAL300028762666	0	55	0.0	-60.10	400.41	4.65	-55.45
C[N@H+]1CCCC(C(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)C1	REAL300028762666	1	55	0.0	-56.42	393.86	4.79	-51.63
O=C(NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2)C1CCC[N@@H+]1C1CC1	REAL300028762671	0	56	0.0	-68.40	412.08	5.41	-62.99
O=C(NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2)C1CCC[N@H+]1C1CC1	REAL300028762671	1	56	0.0	-53.23	407.60	5.26	-47.97
CC(C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2)[NH+]1CCC1	REAL300028762687	1	52	0.0	-55.67	383.24	3.90	-51.77
CCC(CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2)C[NH+](C)C	REAL300028762691	0	60	0.0	-62.49	426.46	5.49	-57.00
C[NH+](C)CC(C)(C)C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028762696	0	57	0.0	-73.81	404.19	4.49	-69.32
O=C(C[NH+]1CCC(O)CC1)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028762711	1	56	0.0	-59.96	408.31	1.41	-58.55
C[N@H+](CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2)C1CC1	REAL300028762712	0	52	0.0	-70.31	383.00	4.14	-66.17
C[N@@H+](CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2)C1CC1	REAL300028762712	1	52	0.0	-70.59	383.13	4.15	-66.44
C[NH+]1CC(CC(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)C1	REAL300028762728	0	52	0.0	-60.63	386.96	3.80	-56.83
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028762739	0	58	0.0	-52.82	416.81	4.69	-48.13
CC(C)(C)[N@H+]1CCC1C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028762739	1	58	0.0	-70.95	416.03	4.61	-66.34
C[C@@H](C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2)[NH+](C)C	REAL300028762750	0	51	0.0	-56.64	372.59	3.31	-53.33
[NH2+]=C1SC=CN1CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028762809	0	48	0.0	-68.41	381.69	3.06	-65.35
C[N@H+](CCO)CCC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028762816	0	55	0.0	-75.60	404.18	0.73	-74.87
C[N@@H+](CCO)CCC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028762816	1	55	0.0	-59.72	405.82	0.87	-58.85
C[C@@H](C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2)[NH+](C)C	REAL300028762817	0	51	0.0	-56.64	372.59	3.31	-53.33
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028762821	0	55	0.0	-71.79	386.57	4.30	-67.49
C[N@H+]1CCCC[C@@H]1C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028762821	1	55	0.0	-54.63	397.85	4.61	-50.02
C[N@@H+]1CCC(=CC(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)C1	REAL300028762890	0	53	0.0	-77.90	393.54	4.43	-73.47
C[N@H+]1CCC(=CC(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)C1	REAL300028762890	1	53	0.0	-77.54	392.40	4.47	-73.07
C[NH+](C)CCOCC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028762913	0	55	0.0	-60.96	411.28	4.05	-56.91
C=CCC(C)(C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2)[NH+](C)C	REAL300028762927	0	58	0.0	-73.61	405.42	4.60	-69.01
C[S+](C)CCC(O)C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028762931	0	54	0.0	-77.88	419.47	2.54	-75.34
C[N@@H+]1CC(O)CC1(C)C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028762950	0	56	0.0	-83.36	397.21	1.03	-82.33
CC1CN(CC(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)C1	REAL300028762969	0	52	0.0	-57.16	386.45	3.97	-53.19
CC1C[NH+](CC(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)C1	REAL300028762969	1	52	0.0	-57.16	386.45	3.97	-53.19
CN(CCO)CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028762987	0	52	0.0	-74.72	382.71	0.32	-74.40
C[N@H+](CCO)CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028762987	1	52	0.0	-73.57	382.72	0.32	-73.25
C[N@@H+](CCO)CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028762987	1	52	0.0	-73.57	382.72	0.32	-73.25
CC[N@@H+]1CCCC(C(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)C1	REAL300028763007	0	58	0.0	-72.54	416.01	5.04	-67.50
CC[N@H+]1CCCC(C(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)C1	REAL300028763007	1	58	0.0	-72.54	416.01	5.04	-67.50
CC(CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2)C[NH+](C)C	REAL300028763009	0	57	0.0	-60.74	412.45	4.97	-55.77
CC[N@H+](C)CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763014	0	51	0.0	-73.20	372.36	3.56	-69.64
CC[N@H+](CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2)C1CC1	REAL300028763047	0	55	0.0	-70.60	399.72	4.69	-65.91
CC[NH+](CC)CCC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763057	0	57	0.0	-57.72	413.02	4.90	-52.82
CC1(O)CC[N@H+](CC(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)C1	REAL300028763093	0	56	0.0	-73.19	410.33	1.18	-72.01
C[NH+](C)CC=CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763097	0	52	0.0	-77.72	389.69	3.95	-73.77
CC(OCC[NH+](C)C)C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763106	0	58	0.0	-62.06	429.95	4.64	-57.42
C[NH+](C)CCOCCC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763112	0	58	0.0	-60.96	432.34	3.77	-57.19
COCCN(C)CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763113	0	55	0.0	-72.97	404.93	2.75	-70.22
COCC[N@H+](C)CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763113	1	55	0.0	-74.93	404.96	2.73	-72.20
COCC[N@@H+](C)CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763113	1	55	0.0	-74.93	404.96	2.73	-72.20
C[NH+](C)C1(C(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)CCCC1	REAL300028763133	0	58	0.0	-67.43	402.28	5.09	-62.34
CC(CCC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2)[NH+](C)C	REAL300028763135	0	57	0.0	-59.18	409.10	4.71	-54.47
CCN1CCC1C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763141	0	52	0.0	-71.36	378.45	3.41	-67.95
CC[N@@H+]1CCC1C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763141	1	52	0.0	-54.75	380.25	3.65	-51.10
CC[N@H+]1CCC1C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763141	1	52	0.0	-54.75	380.25	3.65	-51.10
O=C(C[N@H+]1CCCC1CO)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763154	0	56	0.0	-70.46	400.48	1.43	-69.03
C[NH+]1CCC(C)(C(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)CC1	REAL300028763176	0	58	0.0	-59.47	412.42	4.94	-54.53
C=CCC(C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2)[NH+](C)C	REAL300028763195	0	55	0.0	-55.59	402.66	4.56	-51.03
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763202	0	58	0.0	-74.12	414.61	4.38	-69.74
C[NH+](C)CCCCCC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763204	0	60	0.0	-64.15	442.37	5.90	-58.25
CCCC(C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2)[NH+](C)C	REAL300028763225	0	57	0.0	-56.84	409.69	4.80	-52.04
C[NH+](C)C(C)(C)C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763228	0	54	0.0	-75.14	381.41	3.72	-71.42
C[N@@H+]1CCCCC1C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763254	0	55	0.0	-71.82	386.73	4.24	-67.58
C[N@H+]1CC=C(CC(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)CC1	REAL300028763278	0	56	0.0	-70.31	412.91	5.05	-65.26
C[N@@H+]1CC=C(CC(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)CC1	REAL300028763278	1	56	0.0	-70.31	412.91	5.05	-65.26
O=C(C=CC[NH+]1CCCC1)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763318	0	56	0.0	-77.98	416.45	5.30	-72.68
O=C(CC[NH+]1CCCC1)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763351	0	55	0.0	-58.99	403.83	4.62	-54.37
C[N@@H+]1CC2CC1(C(=O)NC1CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C1C3)C2	REAL300028763380	0	53	0.0	-78.34	385.98	4.02	-74.32
O=C(C[N@@H+]1CC2CCC1C2)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763387	0	56	0.0	-71.38	401.11	4.96	-66.42
O=C(CN1CC2C=CC1C2)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763427	0	54	0.0	-71.35	394.09	4.77	-66.58
O=C(C[N@@H+]1CC2C=CC1C2)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763427	1	54	0.0	-53.84	394.83	4.95	-48.89
O=C(C[N@H+]1CC2C=CC1C2)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763427	1	54	0.0	-53.84	394.83	4.95	-48.89
CC(C[NH+](C)C)C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763459	0	54	0.0	-75.02	392.50	4.04	-70.98
C[N@@H+]1CCCCC1CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763509	0	58	0.0	-59.47	414.52	5.05	-54.42
C[N@H+]1CCCCC1CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763509	1	58	0.0	-59.47	414.52	5.05	-54.42
CC(C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2)N1CC(C)C1	REAL300028763519	0	55	0.0	-55.51	403.47	4.61	-50.90
CC(C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2)[NH+]1CC(C)C1	REAL300028763519	1	55	0.0	-55.51	403.47	4.61	-50.90
CC1CCN1CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763521	0	52	0.0	-55.24	386.86	4.08	-51.16
CC1CC[N@@H+]1CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763521	1	52	0.0	-56.18	386.46	3.96	-52.22
CC1CC[N@H+]1CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763521	1	52	0.0	-56.18	386.46	3.96	-52.22
C[NH+](C)CC(O)CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763524	0	55	0.0	-63.69	408.15	2.00	-61.69
CC1CN(C)CC(C(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)O1	REAL300028763544	0	56	0.0	-61.92	406.57	3.63	-58.29
CC1C[N@H+](C)CC(C(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)O1	REAL300028763544	1	56	0.0	-85.34	413.06	4.06	-81.28
CC1C[N@@H+](C)CC(C(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)O1	REAL300028763544	1	56	0.0	-85.34	413.06	4.06	-81.28
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)C1	REAL300028763591	0	55	0.0	-76.72	403.50	4.47	-72.25
CC(CC[NH+](C)C)C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763597	0	57	0.0	-74.90	413.77	4.60	-70.30
CN1CCN(CC(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)CC1	REAL300028763616	0	57	0.0	-63.22	414.51	2.37	-60.85
C[NH+]1CCN(CC(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)CC1	REAL300028763616	1	57	0.0	-63.22	414.51	2.37	-60.85
NC(=[NH2+])SCC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763640	0	46	0.0	-57.52	364.04	-0.15	-57.67
C[NH+](C)CCC1(C(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)CC1	REAL300028763669	0	58	0.0	-70.50	429.42	5.36	-65.14
C[N@@H+]1CC=CCC1CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763670	0	56	0.0	-68.26	400.31	4.85	-63.41
C[N@H+]1CC=CCC1CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763670	1	56	0.0	-68.26	400.31	4.85	-63.41
C[C@@H](OCC[NH+](C)C)C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763683	0	58	0.0	-60.42	431.47	4.74	-55.68
CCC1C[NH+](CC(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)C1	REAL300028763769	1	55	0.0	-74.62	406.89	4.65	-69.97
C[N@H+]1CCC[C@H]1C(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763774	1	52	0.0	-70.59	374.06	3.40	-67.19
O=C(CC[N@@H+]1CCC(F)C1)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763780	1	55	0.0	-78.13	408.69	4.69	-73.44
O=C(C[NH+]1CCCCC1)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763793	0	55	0.0	-72.98	395.45	4.61	-68.37
CC1C(C(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)CC[N@@H+]1C	REAL300028763799	0	55	0.0	-73.89	396.16	4.44	-69.45
CC1C(C(=O)NC2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)C2C3)CC[N@H+]1C	REAL300028763799	1	55	0.0	-77.70	390.35	4.04	-73.66
CN1CCOCC1CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763828	0	56	0.0	-81.12	404.51	2.57	-78.55
C[N@@H+]1CCOCC1CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763828	1	56	0.0	-71.30	397.77	2.56	-68.74
C[N@H+]1CCOCC1CC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763828	1	56	0.0	-81.12	404.51	2.57	-78.55
C[N@@H+]1CCCC1C(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763999	0	52	0.0	-62.05	373.90	3.69	-58.36
C[N@H+]1CCCC1C(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028763999	1	52	0.0	-61.72	373.72	3.68	-58.04
O=C(CC[NH+]1CCOCC1)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028764178	1	56	0.0	-77.92	411.97	3.02	-74.90
O=C(NC1CCC2CCN(C(=O)C34CCC[NH+]3CCC4)C1C2)C1=CC(=O)[N-]O1	REAL300028764190	0	56	0.0	-67.52	394.73	4.35	-63.17
O=C(NC1CCC2CCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)C1C2)C1=CC(=O)[N-]O1	REAL300028764196	1	50	0.0	-77.42	392.01	6.36	-71.06
C[N@@H+]1CCC(CC(=O)N2CCC3CCC(NC(=O)C4=CC(=O)[N-]O4)C2C3)C1	REAL300028764227	0	55	0.0	-71.80	404.96	4.73	-67.07
C[N@H+]1CCC(CC(=O)N2CCC3CCC(NC(=O)C4=CC(=O)[N-]O4)C2C3)C1	REAL300028764227	1	55	0.0	-75.48	402.89	4.61	-70.87
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028764233	0	54	0.0	-79.44	408.62	2.86	-76.58
CCC(C(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2)[NH+](C)C	REAL300028764235	0	54	0.0	-69.38	382.57	3.76	-65.62
C[NH+](C)CCCCC(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028764273	0	57	0.0	-69.88	423.48	5.26	-64.62
CC(C)C(C(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2)[NH+](C)C	REAL300028764289	0	57	0.0	-73.41	398.63	4.46	-68.95
CCC[N@H+](C)CCC(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028764290	0	57	0.0	-69.31	419.79	5.13	-64.18
CCC[N@@H+](C)CCC(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028764290	1	57	0.0	-69.13	419.80	5.13	-64.00
CCC[N@H+](C)CC(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028764294	0	54	0.0	-66.66	397.30	4.52	-62.14
CCC[N@@H+](C)CC(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028764294	1	54	0.0	-66.79	397.35	4.49	-62.30
O=C(NC1CCC2CCN(C(=O)C34CC[N@H+](C3)CCC4)C1C2)C1=CC(=O)[N-]O1	REAL300028764309	0	56	0.0	-71.21	391.52	3.95	-67.26
O=C(NC1CCC2CCN(C(=O)C34CC[N@@H+](C3)CCC4)C1C2)C1=CC(=O)[N-]O1	REAL300028764309	1	56	0.0	-63.13	385.32	3.57	-59.56
CC1CC[NH+](CC(=O)N2CCC3CCC(NC(=O)C4=CC(=O)[N-]O4)C2C3)CC1	REAL300028764342	0	58	0.0	-73.67	419.29	5.42	-68.25
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CC1C[N@@H+](C)CC(C(=O)N2CCC3CCC(NC(=O)C4=CC(=O)[N-]O4)C2C3)O1	REAL300028765987	1	56	0.0	-60.29	402.40	4.03	-56.26
O=C(C[NH+]1CC2CC2C1)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028766018	0	53	0.0	-73.31	391.94	4.81	-68.50
C[N@@H+]1CCCCC1C(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028766045	0	55	0.0	-70.56	390.08	4.24	-66.32
C[N@H+]1CCCCC1C(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028766045	1	55	0.0	-63.29	389.18	4.30	-58.99
C[N@@H+]1CCC(=CC(=O)N2CCC3CCC(NC(=O)C4=CC(=O)[N-]O4)C2C3)C1	REAL300028766119	0	53	0.0	-76.61	394.81	4.50	-72.11
C[N@H+]1CCC(=CC(=O)N2CCC3CCC(NC(=O)C4=CC(=O)[N-]O4)C2C3)C1	REAL300028766119	1	53	0.0	-76.98	394.69	4.49	-72.49
O=C(CNC1=CC=[NH+]C=C1)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028766122	0	51	0.0	-73.83	392.42	2.22	-71.61
C[NH+](C)C1(C(=O)N2CCC3CCC(NC(=O)C4=CC(=O)[N-]O4)C2C3)CCCC1	REAL300028766185	0	58	0.0	-79.65	394.61	4.61	-75.04
CCC1C[NH+](CC(=O)N2CCC3CCC(NC(=O)C4=CC(=O)[N-]O4)C2C3)C1	REAL300028766194	1	55	0.0	-74.07	409.96	4.82	-69.25
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028766204	0	52	0.0	-69.06	381.67	3.81	-65.25
C[N@H+]1CCC[C@H]1C(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028766204	1	52	0.0	-68.71	377.09	3.59	-65.12
NC1=CC=C(CCC(=O)N2CCC3CCC(NC(=O)C4=CC(=O)[N-]O4)C2C3)C=[NH+]1	REAL300028766248	0	54	0.0	-65.22	417.15	3.62	-61.60
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3CCC(NC(=O)C4=CC(=O)[N-]O4)C2C3)C1	REAL300028766299	0	55	0.0	-71.64	407.05	4.80	-66.84
C[NH+](C)CCC1(C(=O)N2CCC3CCC(NC(=O)C4=CC(=O)[N-]O4)C2C3)CC1	REAL300028766308	0	58	0.0	-71.27	428.94	5.37	-65.90
C[N@@H+]1CC=CCC1CC(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028766309	0	56	0.0	-77.08	408.06	5.06	-72.02
C[N@H+]1CC=CCC1CC(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028766309	1	56	0.0	-73.47	409.34	5.17	-68.30
C[NH+](C)CCOCC(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028766345	0	55	0.0	-68.10	413.99	4.20	-63.90
[NH2+]=C1SC=CN1CC(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028766373	0	48	0.0	-63.10	385.24	3.31	-59.79
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028766415	0	58	0.0	-67.47	428.85	4.63	-62.84
C[N@@H+]1CCCC(C(=O)N2CCC3CCC(NC(=O)C4=CC(=O)[N-]O4)C2C3)C1	REAL300028766445	0	55	0.0	-65.34	390.16	4.47	-60.87
C[N@H+]1CCCC(C(=O)N2CCC3CCC(NC(=O)C4=CC(=O)[N-]O4)C2C3)C1	REAL300028766445	1	55	0.0	-65.34	390.16	4.47	-60.87
O=C(C[NH+]1CCCCCC1)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028766446	0	58	0.0	-71.69	408.04	5.00	-66.69
CN1C=C[N+](CC(=O)N2CCC3CCC(NC(=O)C4=CC(=O)[N-]O4)C2C3)=C1	REAL300028766450	0	50	0.0	-61.19	389.36	6.58	-54.61
O=C(CN1CCC(O)CC1)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028766473	0	56	0.0	-78.45	409.67	1.47	-76.98
O=C(C[NH+]1CCC(O)CC1)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028766473	1	56	0.0	-78.45	409.67	1.47	-76.98
C[N@H+](CC(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2)C1CC1	REAL300028766475	0	52	0.0	-70.39	386.11	4.36	-66.03
O=C(CC[N@H+]1CCC(F)C1)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028766478	0	55	0.0	-79.93	411.89	4.83	-75.10
CC(CC(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2)C[NH+](C)C	REAL300028766499	0	57	0.0	-75.89	413.92	5.00	-70.89
CN1CCOCC1CC(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028766518	0	56	0.0	-80.42	407.47	2.81	-77.61
C[N@@H+]1CCOCC1CC(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028766518	1	56	0.0	-75.82	408.53	2.95	-72.87
C[N@H+]1CCOCC1CC(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028766518	1	56	0.0	-75.82	408.53	2.95	-72.87
CC1=CC(N)=NC=C1C(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028766558	0	51	0.0	-72.97	390.12	2.26	-70.71
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028766558	1	51	0.0	-72.97	390.12	2.26	-70.71
CC1(O)CC[N@H+](CC(=O)N2CCC3CCC(NC(=O)C4=CC(=O)[N-]O4)C2C3)C1	REAL300028766588	0	56	0.0	-71.39	412.92	1.35	-70.04
C[NH+]1CC(CC(=O)N2CCC3CCC(NC(=O)C4=CC(=O)[N-]O4)C2C3)C1	REAL300028766616	0	52	0.0	-73.54	388.18	3.81	-69.73
C[N@H+](CCO)CCC(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028766646	0	55	0.0	-74.21	407.13	0.99	-73.22
C[N@@H+](CCO)CCC(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028766646	1	55	0.0	-74.21	407.13	0.99	-73.22
C[N@@H+]1CCCCC1CC(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028766664	0	58	0.0	-62.75	409.86	5.18	-57.57
C[N@H+]1CCCCC1CC(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028766664	1	58	0.0	-62.75	409.86	5.18	-57.57
CC1CCN1CC(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028766679	0	52	0.0	-64.68	384.22	3.92	-60.76
CC1CC[N@@H+]1CC(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028766679	1	52	0.0	-71.57	387.95	4.01	-67.56
CC1CC[N@H+]1CC(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028766679	1	52	0.0	-71.57	387.95	4.01	-67.56
C[NH+](C)CC=CC(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028766687	0	52	0.0	-78.08	393.01	4.22	-73.86
CC1(C)CN(CC(=O)N2CCC3CCC(NC(=O)C4=CC(=O)[N-]O4)C2C3)C1	REAL300028766693	0	55	0.0	-66.91	408.96	4.70	-62.21
CC1(C)C[NH+](CC(=O)N2CCC3CCC(NC(=O)C4=CC(=O)[N-]O4)C2C3)C1	REAL300028766693	1	55	0.0	-66.91	408.96	4.70	-62.21
C[NH+](C)CCSCC(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028766715	0	55	0.0	-73.58	425.01	5.10	-68.48
O=C(C[N@H+]1CCCC1CO)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028766734	0	56	0.0	-71.81	406.71	1.04	-70.77
CC[NH+](CC)CC(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028766738	0	54	0.0	-64.44	389.71	4.15	-60.29
O=C(CN1CCC1)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028766747	0	49	0.0	-73.46	367.60	3.44	-70.02
O=C(C[NH+]1CCC1)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028766747	1	49	0.0	-73.46	367.60	3.44	-70.02
CC[NH+](CC)CCC(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028766778	0	57	0.0	-67.63	416.07	5.06	-62.57
CC(C(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2)N1CCC1	REAL300028766837	0	52	0.0	-64.55	381.13	3.80	-60.75
CC(C(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2)[NH+]1CCC1	REAL300028766837	1	52	0.0	-64.55	381.13	3.80	-60.75
CCC(CC(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2)C[NH+](C)C	REAL300028766842	0	60	0.0	-67.58	429.15	5.60	-61.98
NC1=CC=C(C=CC(=O)N2CCC3CCC(NC(=O)C4=CC(=O)[N-]O4)C2C3)C=[NH+]1	REAL300028766847	0	52	0.0	-71.40	404.68	3.31	-68.09
C[NH+](C)CC(C)(C)C(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028766848	0	57	0.0	-64.76	391.24	3.82	-60.94
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028766885	0	55	0.0	-63.82	383.53	3.87	-59.95
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028766885	1	55	0.0	-67.09	396.65	4.47	-62.62
C[NH+](C)CC(O)CC(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028766909	0	55	0.0	-78.85	409.34	2.01	-76.84
C=CCC(C(=O)N1CCC2CCC(NC(=O)C3=CC(=O)[N-]O3)C1C2)[NH+](C)C	REAL300028766931	0	55	0.0	-59.56	399.42	4.48	-55.08
C[NH+]1CCC(C)(C(=O)N2CCC3CCC(NC(=O)C4=CC(=O)[N-]O4)C2C3)CC1	REAL300028766944	0	58	0.0	-68.95	402.77	4.35	-64.60
C[NH+](C)CCSCC(=O)NC1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)C1C2	REAL300028767007	0	55	0.0	-64.96	422.41	4.92	-60.04
C[N@@H+]1CCCC1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028767166	0	46	0.0	-76.83	352.52	2.55	-74.28
C[N@H+]1CCCC1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028767166	1	46	0.0	-72.74	352.68	2.56	-70.18
C[N@@H+]1CCOC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028767190	1	47	0.0	-74.69	362.86	2.28	-72.41
C[N@H+]1CCOC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028767190	1	47	0.0	-84.80	363.06	2.26	-82.54
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028767380	1	53	0.0	-70.52	418.13	5.16	-65.36
CC(C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCCC1	REAL300028767387	0	55	0.0	-70.99	399.07	4.61	-66.38
CC(C)[N@@H+]1CCCCC1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028767390	0	55	0.0	-68.53	405.67	4.54	-63.99
CC(C)[N@H+]1CCCCC1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028767390	1	55	0.0	-70.49	405.89	4.50	-65.99
CC(C)[N@@H+]1CCCC1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028767425	0	52	0.0	-70.88	391.63	4.10	-66.78
CC(C)[N@H+]1CCCC1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028767425	1	52	0.0	-70.57	394.67	4.18	-66.39
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@@H+]2C1	REAL300028767452	0	53	0.0	-77.37	400.20	4.69	-72.68
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@H+]2C1	REAL300028767452	1	53	0.0	-81.31	399.86	4.69	-76.62
CC(C)C1=[NH+]C=CN1CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028767488	1	50	0.0	-70.98	398.35	4.75	-66.23
CC1=[NH+]C=CN1CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028767544	1	44	0.0	-72.79	361.81	3.62	-69.17
CC(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028767546	0	53	0.0	-77.76	404.04	2.74	-75.02
O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028767568	0	55	0.0	-77.13	418.23	5.27	-71.86
CC(C)(C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCC1	REAL300028767597	0	55	0.0	-77.17	401.37	4.90	-72.27
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1C[NH+]2CCC1CC2	REAL300028767616	0	50	0.0	-79.88	373.76	3.78	-76.10
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCC2CCC[N@@H+]21	REAL300028767679	0	53	0.0	-70.88	388.53	4.56	-66.32
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCC2CCC[N@H+]21	REAL300028767679	1	53	0.0	-72.07	388.57	4.56	-67.51
C[NH+](C)CCN1C=C(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C=N1	REAL300028767681	0	52	0.0	-84.03	417.02	3.50	-80.53
C[NH+](C)CCN1C=CC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300028767697	0	52	0.0	-90.40	417.55	3.49	-86.91
C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300028767704	0	49	0.0	-76.44	370.63	3.14	-73.30
C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300028767704	1	49	0.0	-75.75	374.49	3.52	-72.23
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028767707	1	53	0.0	-71.51	418.36	5.22	-66.29
CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300028767710	0	52	0.0	-76.71	389.08	3.72	-72.99
CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300028767710	1	52	0.0	-73.68	394.05	4.17	-69.51
CC[N@@H+]1CCOC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028767736	1	50	0.0	-74.31	380.74	2.94	-71.37
CC[N@H+]1CCOC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028767736	1	50	0.0	-83.64	380.48	2.93	-80.71
CC[NH+](CC)CC(F)C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028767805	0	51	0.0	-78.15	391.58	3.71	-74.44
C[NH+](C)CC1=C(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)SC=C1	REAL300028767806	0	49	0.0	-62.22	397.83	4.62	-57.60
CC1CCC(C)[NH+]1CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028767922	0	52	0.0	-72.73	391.46	4.08	-68.65
O=C(CCC[NH+]1CCCC1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028767929	0	52	0.0	-76.83	402.81	4.51	-72.32
C[NH+](C)CC1=CC=CC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028767930	0	52	0.0	-79.20	410.85	5.49	-73.71
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028767937	0	51	0.0	-82.33	401.85	4.81	-77.52
O=C(CC[NH+]1CCCCC1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028767938	0	52	0.0	-76.74	396.67	4.42	-72.32
C[NH+](C)CC1=CC=CC=C1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028767942	0	52	0.0	-61.13	403.55	5.78	-55.35
CC[N@@H+]1CCCCC1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028767952	0	52	0.0	-70.23	392.84	4.20	-66.03
CC[N@H+]1CCCCC1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028767952	1	52	0.0	-72.64	392.25	4.25	-68.39
CC(C)C(C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCC1	REAL300028767953	0	58	0.0	-71.34	422.37	5.90	-65.44
C[NH+](C)C(C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300028767956	1	52	0.0	-75.17	407.29	5.49	-69.68
CC(C)C[N@@H+]1CCC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028767982	0	55	0.0	-76.27	417.36	4.98	-71.29
CC(C)C[N@H+]1CCC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028767982	1	55	0.0	-74.56	416.98	5.00	-69.56
C[NH+](C)C1(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CCC1	REAL300028767986	0	49	0.0	-70.58	366.55	3.50	-67.08
C[NH+](C)C(CN1C=CC=N1)C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028767988	1	52	0.0	-69.78	405.59	3.26	-66.52
CC(C)[N@@H+]1CCCC1CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028767994	0	55	0.0	-69.47	401.89	4.53	-64.94
CC(C)[N@H+]1CCCC1CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028767994	1	55	0.0	-74.31	412.28	4.68	-69.63
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@@H+]1C1CCCC1	REAL300028767995	0	56	0.0	-72.19	415.56	5.55	-66.64
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@H+]1C1CCCC1	REAL300028767995	1	56	0.0	-77.02	409.92	5.86	-71.16
CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028768022	0	51	0.0	-72.04	381.60	4.21	-67.83
C[N@H+](CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300028768088	0	49	0.0	-73.50	378.49	3.99	-69.51
C[N@@H+](CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300028768088	1	49	0.0	-73.34	378.51	3.99	-69.35
CC(C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1C(C)CCC1C	REAL300028768183	0	55	0.0	-70.75	395.02	3.76	-66.99
CN(CCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=[NH+]C=C1	REAL300028768265	0	51	0.0	-75.41	407.13	3.66	-71.75
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028768278	1	48	0.0	-71.90	379.06	3.77	-68.13
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028768278	1	48	0.0	-72.67	384.86	4.30	-68.37
C[N@@H+]1CCCC1CCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028768288	0	52	0.0	-78.60	400.31	4.50	-74.10
C[N@H+]1CCCC1CCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028768288	1	52	0.0	-74.95	394.57	4.03	-70.92
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[NH+](CCC1)C2	REAL300028768302	0	53	0.0	-76.11	390.12	4.19	-71.92
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC2CCCC[N@@H+]21	REAL300028768310	0	53	0.0	-71.11	393.54	4.47	-66.64
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC2CCCC[N@H+]21	REAL300028768310	1	53	0.0	-69.92	400.53	4.94	-64.98
CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028768319	0	56	0.0	-75.51	413.22	3.09	-72.42
O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028768339	0	55	0.0	-77.56	423.72	5.33	-72.23
C[N@H+](CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300028768342	1	52	0.0	-80.49	409.15	5.61	-74.88
C[N@@H+](CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300028768342	1	52	0.0	-80.31	409.32	5.60	-74.71
C[NH+]1CCC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028768360	0	49	0.0	-80.84	377.51	3.64	-77.20
C[NH+](C)CC1=CC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)=NO1	REAL300028768427	1	48	0.0	-83.01	390.63	2.99	-80.02
CC1=C(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C=CC2=C[NH+]=CN21	REAL300028768429	0	47	0.0	-77.28	384.71	5.75	-71.53
C[N@@H+]1CCCCC1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028768478	0	49	0.0	-70.40	374.70	3.60	-66.80
C[N@H+]1CCCCC1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028768478	1	49	0.0	-73.63	374.58	3.63	-70.00
CC(C)C[N@@H+]1CCCC1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028768512	0	55	0.0	-72.12	417.58	5.20	-66.92
CC(C)C[N@H+]1CCCC1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028768512	1	55	0.0	-74.01	406.61	5.26	-68.75
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN2C=[NH+]C=C2C=C1	REAL300028768678	0	44	0.0	-77.32	363.19	5.45	-71.87
CC1=[NH+]C=CN1CCCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028768693	1	50	0.0	-74.47	403.99	4.86	-69.61
O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028768697	1	56	0.0	-80.83	430.66	3.60	-77.23
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C=C1	REAL300028768703	0	52	0.0	-85.69	410.74	5.51	-80.18
O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028768704	1	50	0.0	-80.18	387.67	2.01	-78.17
C[NH+](C)C(C)(C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300028768724	0	55	0.0	-80.41	408.37	5.58	-74.83
CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028768732	0	60	0.0	-77.04	450.76	5.93	-71.11
CC[N@H+](C)C(C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300028768733	0	55	0.0	-71.93	419.83	5.95	-65.98
CC[N@@H+](C)C(C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300028768733	1	55	0.0	-74.91	425.76	6.11	-68.80
CC1=C[NH+]=CN1CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028768756	1	44	0.0	-74.02	361.29	4.31	-69.71
O=C(CN1C=[NH+]C2=C1CCCC2)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028768769	1	51	0.0	-73.00	404.19	6.08	-66.92
C[NH+](C)CC1(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CCCCC1	REAL300028768817	0	58	0.0	-85.93	410.60	5.29	-80.64
C[NH+](C)CCC1=CC=CC=C1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028768818	0	55	0.0	-62.69	424.49	6.28	-56.41
C[N@H+](CCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCCC1	REAL300028768824	0	58	0.0	-78.26	431.14	5.59	-72.67
C[N@@H+](CCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCCC1	REAL300028768824	1	58	0.0	-78.66	431.08	5.61	-73.05
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[NH+]1CCC2	REAL300028768829	0	50	0.0	-80.01	377.35	3.97	-76.04
C[NH+](C)C1CCCC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028768869	0	55	0.0	-76.14	411.43	4.84	-71.30
C[N@@H+]1CCC(CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028768876	0	49	0.0	-78.66	379.30	3.58	-75.08
C[N@H+]1CCC(CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028768876	1	49	0.0	-79.93	378.92	3.61	-76.32
CN(C)C1=CC=[NH+]C=C1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028768890	0	48	0.0	-85.28	383.13	2.82	-82.46
CCC(C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028768896	0	48	0.0	-74.25	363.15	2.96	-71.29
C[NH+](C)C1(CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300028768920	0	55	0.0	-80.08	396.73	4.43	-75.65
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC2=C[NH+]=CN2C=C1	REAL300028768992	1	44	0.0	-82.33	363.16	5.50	-76.83
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300028769037	1	47	0.0	-87.53	392.25	3.45	-84.08
C[NH+](C)CCCCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028769072	0	51	0.0	-78.89	398.03	4.15	-74.74
CC(C)C(C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028769094	0	51	0.0	-72.93	380.88	4.12	-68.81
CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028769096	0	51	0.0	-78.15	394.33	3.95	-74.20
CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028769096	1	51	0.0	-78.46	393.98	3.98	-74.48
CCC[N@H+](C)CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028769103	0	48	0.0	-75.71	371.62	3.43	-72.28
CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028769103	1	48	0.0	-75.58	371.62	3.42	-72.16
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C12CC[N@H+](C1)CCC2	REAL300028769134	0	50	0.0	-78.77	374.94	3.16	-75.61
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C12CC[N@@H+](C1)CCC2	REAL300028769134	1	50	0.0	-76.86	374.15	3.23	-73.63
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028769203	0	46	0.0	-76.84	352.68	2.56	-74.28
C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028769203	1	46	0.0	-72.61	358.97	3.08	-69.53
CC1CC2CCC(C(=O)N[C@@H]3C[C@@H]4C[C@H]3N(C(=O)C3=CC(=O)[N-]O3)C4)C[N@@H+]2C1	REAL300028769231	0	56	0.0	-74.52	421.10	5.32	-69.20
CC1CC2CCC(C(=O)N[C@@H]3C[C@@H]4C[C@H]3N(C(=O)C3=CC(=O)[N-]O3)C4)C[N@H+]2C1	REAL300028769231	1	56	0.0	-73.50	420.67	5.34	-68.16
CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028769288	0	57	0.0	-76.94	436.12	5.77	-71.17
CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028769288	1	57	0.0	-76.73	436.35	5.74	-70.99
CC[NH+](CC)C(C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C(C)C	REAL300028769299	0	57	0.0	-70.26	401.77	4.13	-66.13
CC[NH+](CC)CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028769310	0	48	0.0	-73.64	364.18	3.09	-70.55
CCC[N@@H+]1CCCC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028769344	0	55	0.0	-75.92	416.39	5.03	-70.89
CCC[N@H+]1CCCC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028769344	1	55	0.0	-67.72	410.20	5.23	-62.49
CC(C)[N@@H+]1CCOC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028769368	1	53	0.0	-72.69	397.55	3.42	-69.27
CC(C)[N@H+]1CCOC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028769368	1	53	0.0	-81.10	397.54	3.43	-77.67
CC1CC[NH+](CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028769410	0	52	0.0	-76.22	395.46	4.47	-71.75
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300028769442	1	47	0.0	-82.62	391.86	3.46	-79.16
C[NH+]1CCC(OCC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028769452	0	53	0.0	-83.48	412.65	4.10	-79.38
C[NH+](C)CC1(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028769471	0	49	0.0	-78.27	377.30	3.73	-74.54
CC1=[NH+]C=C2CCC(C(=O)N[C@@H]3C[C@@H]4C[C@H]3N(C(=O)C3=CC(=O)[N-]O3)C4)CN21	REAL300028769472	1	51	0.0	-70.91	400.81	4.76	-66.15
CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028769579	0	55	0.0	-80.33	411.79	4.81	-75.52
C[NH+]1CCC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028769610	0	49	0.0	-80.84	377.51	3.64	-77.20
CC(C)[C@H](C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028769633	0	51	0.0	-76.35	381.96	4.06	-72.29
CCC(C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](CC)CC	REAL300028769672	0	54	0.0	-69.19	394.64	4.17	-65.02
CC[N@H+](C)CCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028769771	0	48	0.0	-77.43	372.77	3.23	-74.20
CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028769771	1	48	0.0	-77.54	372.77	3.21	-74.33
CC1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028769853	0	49	0.0	-71.92	371.23	3.40	-68.52
CC1CCC[N@H+]1CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028769853	1	49	0.0	-71.95	371.32	3.38	-68.57
CC1CC[N@H+](CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028769856	0	49	0.0	-74.21	379.27	3.65	-70.56
CC1CC[N@@H+](CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028769856	1	49	0.0	-75.01	378.43	3.75	-71.26
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028769857	0	55	0.0	-69.23	415.22	4.24	-64.99
CC(C)(C)[N@H+]1CCC(F)(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028769857	1	55	0.0	-73.85	414.76	4.30	-69.55
CC1=[NH+]C=C2CC(C(=O)N[C@@H]3C[C@@H]4C[C@H]3N(C(=O)C3=CC(=O)[N-]O3)C4)CCN21	REAL300028769859	1	51	0.0	-76.31	401.69	4.76	-71.55
C[NH+](C)CCC1=CC=C(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C=C1	REAL300028769861	0	55	0.0	-87.36	433.23	6.36	-81.00
CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028769863	0	52	0.0	-75.21	397.73	4.24	-70.97
CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028769863	1	52	0.0	-74.89	398.12	4.23	-70.66
C[N@H+](CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300028769864	0	54	0.0	-75.77	400.26	4.42	-71.35
C[N@@H+](CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300028769864	1	54	0.0	-75.16	402.60	4.60	-70.56
C[N@H+](CCC1=CC=CC=C1)CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028769865	0	55	0.0	-79.20	431.53	6.44	-72.76
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028769865	1	55	0.0	-79.28	431.53	6.45	-72.83
CC[C@@H](C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028769877	0	48	0.0	-72.89	365.09	3.18	-69.71
CC(COCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCC1	REAL300028769885	0	56	0.0	-73.34	431.06	4.76	-68.58
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[NH+](CC2CC2)CC1	REAL300028769987	0	56	0.0	-82.74	426.71	5.83	-76.91
C[NH+]1CCC(O)(CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028770144	0	53	0.0	-79.09	403.20	2.31	-76.78
COCC[N@@H+]1CCCC1CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028770151	0	56	0.0	-76.30	422.18	3.31	-72.99
COCC[N@H+]1CCCC1CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028770151	1	56	0.0	-74.24	430.18	3.40	-70.84
C[NH+](C)CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028770159	0	42	0.0	-75.97	332.39	2.01	-73.96
O=C(C[NH+]1CCC(CO)CC1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028770164	1	53	0.0	-79.45	406.27	1.16	-78.29
O=C(C[NH+]1CCCCCC1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028770168	0	52	0.0	-75.14	383.64	4.05	-71.09
CN1C=C[N+](CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028770173	0	44	0.0	-72.41	363.91	5.52	-66.89
C[N@@H+]1CCCC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028770184	0	49	0.0	-69.64	370.84	3.82	-65.82
C[N@H+]1CCCC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028770184	1	49	0.0	-76.20	377.12	3.64	-72.56
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@@H+]1C1CC1	REAL300028770190	0	50	0.0	-70.87	389.85	4.53	-66.34
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@H+]1C1CC1	REAL300028770190	1	50	0.0	-79.65	380.81	3.92	-75.73
CC(C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300028770230	1	46	0.0	-75.26	362.58	2.93	-72.33
CCC(CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300028770240	0	54	0.0	-77.42	405.22	4.82	-72.60
C[NH+](C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028770249	0	51	0.0	-76.03	382.98	3.79	-72.24
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C12CC(C1)C[N@@H+]2C1CC1	REAL300028770273	0	51	0.0	-76.76	388.32	4.63	-72.13
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C12CC(C1)C[N@H+]2C1CC1	REAL300028770273	1	51	0.0	-77.49	384.08	5.04	-72.45
O=C(C[NH+]1CCC(O)CC1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028770297	1	50	0.0	-80.63	386.08	0.51	-80.12
C[N@H+](CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300028770299	0	46	0.0	-72.62	362.12	3.42	-69.20
C[N@@H+](CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300028770299	1	46	0.0	-72.97	361.81	3.43	-69.54
CC(C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)N1CC[NH+](C)CC1	REAL300028770300	1	54	0.0	-75.53	405.97	1.83	-73.70
C[NH+]1CC(CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028770330	0	46	0.0	-76.02	364.01	2.83	-73.19
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@@H+]1C1CCCC1	REAL300028770334	0	53	0.0	-74.64	398.42	4.51	-70.13
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@H+]1C1CCCC1	REAL300028770334	1	53	0.0	-76.40	403.44	4.83	-71.57
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028770343	0	52	0.0	-73.64	394.42	3.67	-69.97
CC(C)(C)[N@H+]1CCC1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028770343	1	52	0.0	-74.12	377.74	3.15	-70.97
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300028770354	0	52	0.0	-71.98	408.43	2.51	-69.47
C[C@@H](C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028770357	0	45	0.0	-72.77	351.04	2.45	-70.32
CCC1CCC[N@H+](CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028770411	0	55	0.0	-75.77	413.68	5.12	-70.65
CCC1CCC[N@@H+](CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028770411	1	55	0.0	-74.30	406.09	4.68	-69.62
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300028770420	0	50	0.0	-87.88	399.50	3.17	-84.71
C[NH+]1C2CCC1CC(CC(=O)N[C@@H]1C[C@@H]3C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300028770435	0	56	0.0	-73.47	411.06	4.94	-68.53
C[NH+](C)C(CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300028770442	0	55	0.0	-75.44	420.73	5.90	-69.54
[NH2+]=C1SC=CN1CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028770484	0	42	0.0	-72.61	359.48	2.20	-70.41
C[N@H+](CCO)CCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028770498	0	49	0.0	-77.79	382.84	0.01	-77.78
C[N@@H+](CCO)CCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028770498	1	49	0.0	-76.41	383.13	-0.00	-76.41
C[C@@H](C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028770499	0	45	0.0	-72.77	351.04	2.45	-70.32
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028770504	0	49	0.0	-74.16	365.21	3.43	-70.73
C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028770504	1	49	0.0	-73.44	374.66	3.61	-69.83
CC1CN2CC[N@@H+]1CC2C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028770514	0	52	0.0	-85.36	385.29	0.99	-84.37
CC1CN2CC[N@H+]1CC2C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028770514	1	52	0.0	-79.74	385.28	0.98	-78.76
COC1C[N@@H+]2CCCC2(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028770567	0	54	0.0	-80.81	410.57	2.95	-77.86
COC1C[N@H+]2CCCC2(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028770567	1	54	0.0	-81.73	409.34	3.06	-78.67
O=C(CC1=CC2=C[NH+]=CN2C=C1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028770583	0	47	0.0	-74.43	387.35	6.23	-68.20
C[N@H+](CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300028770617	0	50	0.0	-81.52	392.20	4.23	-77.29
C[N@@H+](CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300028770617	1	50	0.0	-79.34	391.98	4.25	-75.09
C[NH+](C)CC1=CC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)=CC=N1	REAL300028770657	1	51	0.0	-76.54	406.86	4.02	-72.52
C[N@@H+]1CCC(=CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028770659	0	47	0.0	-79.56	370.31	3.59	-75.97
C[N@H+]1CCC(=CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028770659	1	47	0.0	-79.53	370.50	3.61	-75.92
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1C[NH+](C2CCCCC2)C1	REAL300028770687	0	56	0.0	-80.61	424.38	5.38	-75.23
C[NH+](C)CCOCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028770706	0	49	0.0	-76.63	388.26	3.09	-73.54
CCCCC[N@H+](C)CCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028770713	0	57	0.0	-79.14	437.27	5.53	-73.61
CCCCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028770713	1	57	0.0	-79.37	436.98	5.54	-73.83
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300028770723	0	53	0.0	-77.37	411.36	3.96	-73.41
C=CCC(C)(C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028770735	0	52	0.0	-68.63	388.09	4.00	-64.63
C[S+](C)CCC(O)C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028770740	0	48	0.0	-80.32	397.25	1.67	-78.65
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028770778	0	50	0.0	-84.02	379.13	0.16	-83.86
CN1CC[N@H+](C)CC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028770793	0	54	0.0	-76.18	401.37	1.58	-74.60
CN1CC[N@@H+](C)CC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028770793	1	54	0.0	-76.18	401.37	1.58	-74.60
CC(C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[N@@H+]1CCCC(O)C1	REAL300028770794	0	53	0.0	-75.07	403.51	0.91	-74.16
O=C(CN1CCC(CO)CC1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028770810	0	53	0.0	-79.45	406.27	1.16	-78.29
O=C(C[NH+]1CCC(CO)CC1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028770810	1	53	0.0	-79.45	406.27	1.16	-78.29
C[N@@H+]1CCCC(O)(CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028770821	0	53	0.0	-75.98	390.48	2.24	-73.74
C[N@H+]1CCCC(O)(CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028770821	1	53	0.0	-75.98	390.48	2.24	-73.74
CC1CN(CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028770825	0	46	0.0	-76.40	364.22	3.10	-73.30
CC1C[NH+](CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028770825	1	46	0.0	-76.40	364.22	3.10	-73.30
NC(=O)C1CCN(CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028770830	0	53	0.0	-90.32	410.91	0.54	-89.78
NC(=O)C1CC[NH+](CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028770830	1	53	0.0	-90.32	410.91	0.54	-89.78
C[N@H+](CCO)CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028770856	1	46	0.0	-75.82	360.70	-0.56	-76.38
C[N@@H+](CCO)CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028770856	1	46	0.0	-76.58	360.30	-0.55	-77.13
C[NH+]1C2CCC1CC(=CC(=O)N[C@@H]1C[C@@H]3C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300028770882	0	54	0.0	-74.96	406.10	4.98	-69.98
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1C[N@@H+]2CCN1CCC2	REAL300028770887	0	52	0.0	-85.83	380.68	1.33	-84.50
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1C[N@H+]2CCN1CCC2	REAL300028770887	1	52	0.0	-79.66	382.30	1.80	-77.86
CC[N@@H+]1CCCC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028770896	0	52	0.0	-69.23	388.66	4.49	-64.74
CC[N@H+]1CCCC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028770896	1	52	0.0	-67.58	388.84	4.46	-63.12
CC(CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300028770898	0	51	0.0	-78.48	389.89	4.00	-74.48
CC[N@H+](C)CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028770915	0	45	0.0	-75.37	350.20	2.69	-72.68
CC[N@@H+](C)CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028770915	1	45	0.0	-75.36	350.16	2.67	-72.69
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[N@@H+]1CCCC2	REAL300028770946	0	53	0.0	-70.37	388.40	4.54	-65.83
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[N@H+]1CCCC2	REAL300028770946	1	53	0.0	-71.28	386.35	4.47	-66.81
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[N@@H+]1CC=CC2	REAL300028770956	0	51	0.0	-69.00	380.74	4.28	-64.72
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[N@H+]1CC=CC2	REAL300028770956	1	51	0.0	-72.57	379.64	4.57	-68.00
CC[N@H+](CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300028770985	0	49	0.0	-74.79	373.52	3.60	-71.19
CC[N@@H+](CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300028770985	1	49	0.0	-74.15	374.40	3.90	-70.25
C[NH+](C)C1(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CCCSC1	REAL300028770988	0	53	0.0	-85.69	394.78	4.58	-81.11
CC[NH+](CC)CCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028771010	0	51	0.0	-77.27	386.00	3.65	-73.62
C[NH+]1CCC(=CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028771029	0	50	0.0	-77.02	386.20	4.28	-72.74
O=C(CCCC[NH+]1CCCCC1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028771050	0	58	0.0	-77.40	439.67	6.02	-71.38
CC1(O)CC[N@H+](CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028771085	0	50	0.0	-73.90	388.77	0.43	-73.47
CC1(O)CC[N@@H+](CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028771085	1	50	0.0	-75.53	388.80	0.42	-75.11
C[NH+](C)CC=CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028771098	0	46	0.0	-79.96	368.59	3.25	-76.71
CC(OCC[NH+](C)C)C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028771128	0	52	0.0	-75.05	408.26	3.75	-71.30
C[NH+](C)CCOCCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028771140	0	52	0.0	-75.99	409.55	2.81	-73.18
COCC[N@H+](C)CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028771141	1	49	0.0	-76.47	382.74	1.84	-74.63
COCC[N@@H+](C)CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028771141	1	49	0.0	-76.17	382.76	1.84	-74.33
COCCCC[N@H+](C)CCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028771174	0	58	0.0	-82.08	449.44	3.82	-78.26
COCCCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028771174	1	58	0.0	-82.34	449.16	3.83	-78.51
C[NH+](C)C1(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300028771200	0	52	0.0	-77.46	384.74	4.52	-72.94
CC(CCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028771203	0	51	0.0	-79.80	386.37	3.74	-76.06
CC[N@@H+]1CCC1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028771214	1	46	0.0	-75.13	364.39	2.97	-72.16
CC[N@H+]1CCC1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028771214	1	46	0.0	-74.78	364.54	3.00	-71.78
CC(C)[N@@H+]1CCCC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028771229	0	55	0.0	-68.99	405.31	4.99	-64.00
CC(C)[N@H+]1CCCC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028771229	1	55	0.0	-73.76	411.49	4.80	-68.96
CC(C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[N@H+](C)CC1=CC=CC=C1	REAL300028771236	0	55	0.0	-77.51	427.89	6.04	-71.47
CC(C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[N@@H+](C)CC1=CC=CC=C1	REAL300028771236	1	55	0.0	-75.22	427.82	6.04	-69.18
O=C(C[N@H+]1CCCC1CO)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028771245	0	50	0.0	-74.60	386.60	0.50	-74.10
O=C(C[N@@H+]1CCCC1CO)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028771245	1	50	0.0	-74.69	385.64	0.63	-74.06
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@@H+]2C1	REAL300028771275	0	53	0.0	-77.37	400.20	4.69	-72.68
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@H+]2C1	REAL300028771275	1	53	0.0	-81.31	399.86	4.69	-76.62
C[NH+]1CCC(C)(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028771285	0	52	0.0	-78.11	389.71	4.09	-74.02
C[NH+](C)CC1=CNC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028771291	0	50	0.0	-80.69	399.05	3.27	-77.42
CC(C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC(O)CC1	REAL300028771313	1	53	0.0	-75.32	403.81	0.94	-74.38
C=CCC(C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028771331	0	49	0.0	-76.06	379.37	3.68	-72.38
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028771351	0	52	0.0	-76.16	392.57	3.70	-72.46
C[N@H+]1CC(C)(C)CC1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028771351	1	52	0.0	-73.56	394.54	3.99	-69.57
C[NH+](C)CCCCCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028771356	0	54	0.0	-78.05	419.53	4.93	-73.12
O=C(C[NH+]1CC2CC2C1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028771367	0	47	0.0	-76.13	367.91	3.79	-72.34
CC1C[N@@H+]2CCN1C(C(=O)N[C@@H]1C[C@@H]3C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300028771408	0	52	0.0	-80.05	385.73	1.01	-79.04
CC1C[N@H+]2CCN1C(C(=O)N[C@@H]1C[C@@H]3C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300028771408	1	52	0.0	-87.30	385.40	1.08	-86.22
CCCC(C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028771409	0	51	0.0	-73.33	386.60	3.93	-69.40
C[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028771414	0	48	0.0	-79.53	359.60	3.16	-76.37
CC[NH+](CC)CCSCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028771457	0	55	0.0	-80.54	430.57	5.03	-75.51
C[N@@H+]1CCCCC1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028771469	0	49	0.0	-70.40	374.70	3.60	-66.80
C[N@H+]1CCCCC1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028771469	1	49	0.0	-73.63	374.58	3.63	-70.00
C[N@H+]1CC=C(CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028771525	0	50	0.0	-74.20	391.67	4.33	-69.87
C[N@@H+]1CC=C(CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028771525	1	50	0.0	-71.99	391.79	4.34	-67.65
O=C(CC1([NH+]2CCCC2)CC1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028771537	0	53	0.0	-72.86	398.03	4.78	-68.08
C[N@@H+]1CCCC(C(C)(C)C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028771596	0	58	0.0	-79.03	414.81	4.68	-74.35
C[N@H+]1CCCC(C(C)(C)C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028771596	1	58	0.0	-79.03	414.81	4.68	-74.35
CN(C)CC1=CC=C(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300028771601	0	49	0.0	-85.07	397.26	3.81	-81.26
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300028771601	1	49	0.0	-85.07	397.26	3.81	-81.26
O=C(C=CC[NH+]1CCCC1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028771625	0	50	0.0	-78.86	394.10	4.32	-74.54
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[NH+](C2CC2)CC1	REAL300028771654	0	53	0.0	-78.17	406.82	5.02	-73.15
O=C(CC[NH+]1CCCC1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028771683	0	49	0.0	-77.17	379.94	3.66	-73.51
C[N@@H+]1CC2CC1(C(=O)N[C@@H]1C[C@@H]3C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300028771749	0	47	0.0	-78.99	363.71	3.09	-75.90
O=C(C[N@@H+]1CC2CCC1C2)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028771765	0	50	0.0	-72.23	376.65	3.93	-68.30
CC(C)[NH+]1CCC(CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028771779	0	58	0.0	-71.62	430.39	5.54	-66.08
O=C(C=C1C[NH+]2CCC1CC2)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028771831	0	51	0.0	-70.17	389.08	4.43	-65.74
O=C(CN1CC2C=CC1C2)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028771845	0	48	0.0	-73.73	372.03	3.97	-69.76
O=C(C[N@@H+]1CC2C=CC1C2)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028771845	1	48	0.0	-70.99	371.73	3.89	-67.10
O=C(C[N@H+]1CC2C=CC1C2)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028771845	1	48	0.0	-70.99	371.73	3.89	-67.10
C[NH+](C)CC(C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300028771886	0	55	0.0	-83.67	428.98	6.02	-77.65
CC[NH+]1CCN(CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028771889	0	54	0.0	-75.34	409.82	2.20	-73.14
CC(C[NH+](C)C)C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028771915	0	48	0.0	-77.74	371.42	3.25	-74.49
C[N@@H+]1CCCCC1CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028772020	0	52	0.0	-79.57	391.91	4.20	-75.37
C[N@H+]1CCCCC1CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028772020	1	52	0.0	-78.54	392.10	4.16	-74.38
CC1=C2C=C(C(=O)N[C@@H]3C[C@@H]4C[C@H]3N(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300028772043	1	47	0.0	-80.43	385.28	6.11	-74.32
CC(C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CC(C)C1	REAL300028772044	1	49	0.0	-72.46	381.65	3.70	-68.76
CC1CC[N@@H+]1CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028772048	1	46	0.0	-74.83	363.94	3.08	-71.75
CC1CC[N@H+]1CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028772048	1	46	0.0	-73.74	364.03	3.11	-70.63
C[NH+](C)CC(O)CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028772053	0	49	0.0	-81.47	384.91	1.03	-80.44
CC1C[N@H+](C)CC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300028772092	1	50	0.0	-91.84	383.98	2.76	-89.08
CC1C[N@@H+](C)CC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300028772092	1	50	0.0	-90.04	384.54	3.17	-86.87
O=C(CC[NH+]1CCC(O)CC1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028772105	0	53	0.0	-80.27	407.82	1.11	-79.16
CCC[N@@H+]1CCCCC1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028772108	0	55	0.0	-73.36	404.48	4.83	-68.53
CCC[N@H+]1CCCCC1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028772108	1	55	0.0	-73.03	413.70	5.00	-68.03
CC[NH+]1CCN(CCC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028772113	0	57	0.0	-79.06	431.15	2.58	-76.48
CCN1CC[NH+](CCC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028772113	1	57	0.0	-78.18	429.84	2.54	-75.64
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300028772116	0	56	0.0	-76.27	403.00	4.78	-71.49
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300028772116	1	56	0.0	-69.92	407.34	5.48	-64.44
CC(C)C[NH+]1CCC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028772166	0	58	0.0	-82.09	434.09	5.70	-76.39
C[NH+](C)C1CCN(CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028772194	0	57	0.0	-75.13	426.00	2.71	-72.42
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028772217	0	49	0.0	-78.78	382.20	3.72	-75.06
CC(CC[NH+](C)C)C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028772225	0	51	0.0	-77.66	393.03	3.88	-73.78
C[N@H+](CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300028772259	0	53	0.0	-70.53	403.31	1.39	-69.14
C[N@@H+](CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300028772259	1	53	0.0	-73.96	403.68	1.20	-72.76
C[NH+](C)C(CC1=CC=CC=C1)C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028772274	0	55	0.0	-78.50	417.26	5.85	-72.65
C[NH+]1CCN(CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028772276	1	51	0.0	-75.07	391.89	1.50	-73.57
CC[NH+]1CCN(CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028772288	0	54	0.0	-75.34	409.82	2.20	-73.14
NC(=[NH2+])SCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028772322	0	40	0.0	-78.45	340.52	-1.03	-79.48
CC[N@@H+]1CCOCC1CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028772370	0	53	0.0	-80.32	400.58	2.48	-77.84
C[NH+](C)CCC1(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300028772389	0	58	0.0	-88.53	434.05	5.59	-82.94
CC1CCCC(C)[NH+]1CCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028772391	0	58	0.0	-73.10	426.16	5.08	-68.02
C[NH+](C)C1CCC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028772394	0	55	0.0	-76.33	405.22	4.65	-71.68
C[NH+](C)CCC1(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028772395	0	52	0.0	-85.20	407.56	4.54	-80.66
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028772399	0	55	0.0	-67.48	404.73	4.69	-62.79
C[N@@H+]1CC=CCC1CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028772400	0	50	0.0	-79.26	384.35	4.01	-75.25
C[N@H+]1CC=CCC1CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028772400	1	50	0.0	-79.26	384.35	4.01	-75.25
C[C@@H](OCC[NH+](C)C)C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028772432	0	52	0.0	-74.95	408.59	3.78	-71.17
C[NH+]1C2CCC1CC(C(=O)N[C@@H]1C[C@@H]3C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300028772467	0	53	0.0	-74.87	375.56	4.50	-70.37
CC(C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCSCC1	REAL300028772630	1	50	0.0	-75.80	387.83	3.86	-71.94
CCC1C[NH+](CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028772633	1	49	0.0	-76.67	385.23	3.87	-72.80
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1C[NH+](C2CCOCC2)C1	REAL300028772635	0	54	0.0	-81.74	415.14	2.99	-78.75
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1([NH+]2CCCC2)CCC1	REAL300028772637	0	53	0.0	-79.19	392.31	4.70	-74.49
C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028772648	1	46	0.0	-72.87	352.39	2.55	-70.32
O=C(CC[N@@H+]1CCC(F)C1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028772658	1	49	0.0	-82.23	387.22	3.82	-78.41
COC1C[N@@H+](C)C(C)(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028772667	1	53	0.0	-82.19	402.81	2.46	-79.73
O=C(CC[NH+]1CCCCCC1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028772680	0	55	0.0	-78.63	406.65	4.62	-74.01
O=C(C[NH+]1CCCCC1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028772683	0	49	0.0	-75.25	374.43	3.88	-71.37
CC1C(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300028772693	0	49	0.0	-77.42	379.17	3.41	-74.01
CC1C(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300028772693	1	49	0.0	-75.76	374.78	3.51	-72.25
C[N@@H+]1CCCCC1CCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028772696	0	55	0.0	-81.41	406.57	4.73	-76.68
C[N@H+]1CCCCC1CCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028772696	1	55	0.0	-75.26	414.00	4.93	-70.33
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@@H+]2CCOCC12	REAL300028772734	0	51	0.0	-81.91	392.14	2.34	-79.57
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@H+]2CCOCC12	REAL300028772734	1	51	0.0	-80.64	392.58	2.29	-78.35
CC1=[NH+]C=C2C=CC(C(=O)N[C@@H]3C[C@@H]4C[C@H]3N(C(=O)C3=CC(=O)[N-]O3)C4)=CN21	REAL300028772742	0	47	0.0	-73.33	384.54	5.33	-68.00
CN1CCOCC1CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028772765	0	50	0.0	-82.83	383.07	1.84	-80.99
C[N@@H+]1CCOCC1CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028772765	1	50	0.0	-68.98	375.80	1.68	-67.30
C[N@H+]1CCOCC1CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028772765	1	50	0.0	-82.83	383.07	1.84	-80.99
CC1=C(C)[NH+]=C(CCC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300028772777	1	50	0.0	-71.57	402.63	3.30	-68.27
C[NH+](C)CCC1=CC=CC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028772789	0	55	0.0	-80.18	433.34	6.31	-73.87
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCN1CC1=CC=CC=C1	REAL300028772793	0	53	0.0	-76.72	414.44	5.50	-71.22
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300028772793	1	53	0.0	-73.38	416.87	5.68	-67.70
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@H+]1CC1=CC=CC=C1	REAL300028772793	1	53	0.0	-76.72	414.44	5.50	-71.22
CC(C)C[N@@H+]1CCCC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028772797	0	58	0.0	-70.06	427.31	5.91	-64.15
CC(C)C[N@H+]1CCCC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028772797	1	58	0.0	-68.52	427.39	5.91	-62.61
C[N@@H+]1CCCC1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028772965	0	46	0.0	-71.98	354.00	2.62	-69.36
C[N@H+]1CCCC1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028772965	1	46	0.0	-68.47	357.35	3.00	-65.47
CC1=[NH+]C=CN1CCCC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028773164	1	50	0.0	-70.68	406.33	5.06	-65.62
O=C(CCCC[NH+]1CCOCC1)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028773168	1	56	0.0	-77.29	433.28	3.74	-73.55
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C=C1	REAL300028773174	0	52	0.0	-84.14	407.80	5.12	-79.02
O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028773175	1	50	0.0	-76.09	390.84	2.21	-73.88
C[NH+](C)C(C)(C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)C1=CC=CC=C1	REAL300028773195	0	55	0.0	-69.46	404.07	5.65	-63.81
CCC[NH+](CCC)CCCC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028773203	0	60	0.0	-73.61	457.43	6.34	-67.27
CC[N@H+](C)C(C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)C1=CC=CC=C1	REAL300028773204	0	55	0.0	-69.38	423.99	6.03	-63.35
CC[N@@H+](C)C(C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)C1=CC=CC=C1	REAL300028773204	1	55	0.0	-65.06	424.38	6.04	-59.02
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C13CCC[NH+]1CCC3)C2)C1=CC(=O)[N-]O1	REAL300028773222	0	50	0.0	-66.51	371.46	3.53	-62.98
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC3=C[NH+]=CN3C=C1)C2)C1=CC(=O)[N-]O1	REAL300028773240	1	44	0.0	-78.08	369.94	5.55	-72.53
C[NH+](C)C1CCCC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028773320	0	55	0.0	-65.88	403.34	4.59	-61.29
C[N@@H+]1CCC(CC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028773327	0	49	0.0	-75.04	381.58	3.74	-71.30
C[N@H+]1CCC(CC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028773327	1	49	0.0	-74.30	382.19	3.76	-70.54
CN(C)C1=CC=[NH+]C=C1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028773341	0	48	0.0	-79.33	384.99	2.02	-77.31
CCC(C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)[NH+](C)C	REAL300028773347	0	48	0.0	-69.31	365.23	3.20	-66.11
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=NN(C3=CC=[NH+]C=C3)C=C1)C2)C1=CC(=O)[N-]O1	REAL300028773357	1	47	0.0	-85.87	392.17	3.70	-82.17
CC1CC2CCC(C(=O)N3C[C@@H]4C[C@@H](NC(=O)C5=CC(=O)[N-]O5)[C@H]3C4)C[N@@H+]2C1	REAL300028773409	0	56	0.0	-71.84	423.00	5.37	-66.47
CC1CC2CCC(C(=O)N3C[C@@H]4C[C@@H](NC(=O)C5=CC(=O)[N-]O5)[C@H]3C4)C[N@H+]2C1	REAL300028773409	1	56	0.0	-64.30	413.21	5.46	-58.84
C[NH+](C)CCCCC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028773447	0	51	0.0	-75.63	400.58	4.27	-71.36
CC(C)C(C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)[NH+](C)C	REAL300028773471	0	51	0.0	-68.73	377.48	3.82	-64.91
CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028773473	0	51	0.0	-74.40	396.66	4.11	-70.29
CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028773473	1	51	0.0	-74.53	396.66	4.12	-70.41
CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028773480	0	48	0.0	-71.13	374.46	3.56	-67.57
CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028773480	1	48	0.0	-71.07	374.46	3.56	-67.51
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C13CC[N@H+](C1)CCC3)C2)C1=CC(=O)[N-]O1	REAL300028773511	0	50	0.0	-75.00	368.41	3.00	-72.00
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C13CC[N@@H+](C1)CCC3)C2)C1=CC(=O)[N-]O1	REAL300028773511	1	50	0.0	-80.41	366.19	2.98	-77.43
CCCCCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028773565	0	57	0.0	-72.38	438.97	5.89	-66.49
CCCCCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028773565	1	57	0.0	-72.31	438.97	5.90	-66.41
CC[NH+](CC)C(C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)C(C)C	REAL300028773576	0	57	0.0	-67.62	412.32	4.70	-62.92
CC1CC[NH+](CC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)CC1	REAL300028773621	0	52	0.0	-71.58	398.38	4.61	-66.97
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CN(C3=CC=[NH+]C=C3)N=C1)C2)C1=CC(=O)[N-]O1	REAL300028773653	1	47	0.0	-79.85	388.63	3.15	-76.70
C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)CC1	REAL300028773663	0	53	0.0	-80.29	415.24	4.27	-76.02
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1CC3CCCC[N@@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300028773736	0	53	0.0	-71.15	399.62	4.71	-66.44
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1CC3CCCC[N@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300028773736	1	53	0.0	-77.24	399.41	4.59	-72.65
C[NH+](C)CC1(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)CC1	REAL300028773752	0	49	0.0	-69.20	381.41	4.00	-65.20
CC1=[NH+]C=C2CCC(C(=O)N3C[C@@H]4C[C@@H](NC(=O)C5=CC(=O)[N-]O5)[C@H]3C4)CN21	REAL300028773753	1	51	0.0	-68.20	403.34	4.72	-63.48
CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)CC1	REAL300028773765	0	55	0.0	-73.95	410.42	4.62	-69.33
CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028773805	0	48	0.0	-73.67	375.16	3.36	-70.31
CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028773805	1	48	0.0	-73.74	375.63	3.36	-70.38
CC(C)(C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)[NH+]1CCCCC1	REAL300028773841	0	55	0.0	-70.76	395.79	4.63	-66.13
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1C[NH+]3CCC1CC3)C2)C1=CC(=O)[N-]O1	REAL300028773860	0	50	0.0	-76.68	372.06	3.69	-72.99
C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)CC1	REAL300028773962	0	49	0.0	-75.92	379.87	3.67	-72.25
CC(C)[C@H](C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)[NH+](C)C	REAL300028773985	0	51	0.0	-72.93	378.03	3.66	-69.27
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1CC[NH+](CC3CC3)CC1)C2)C1=CC(=O)[N-]O1	REAL300028774087	0	56	0.0	-67.90	427.70	5.85	-62.05
CC[NH+](CC)CC(F)C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028774135	0	51	0.0	-71.06	397.59	4.07	-66.99
C[NH+](C)CC1=C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)SC=C1	REAL300028774136	0	49	0.0	-62.86	395.28	4.40	-58.46
CC(C)C[N@@H+]1CCC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028774183	0	55	0.0	-72.79	415.33	4.93	-67.86
CC(C)C[N@H+]1CCC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028774183	1	55	0.0	-71.06	415.50	4.94	-66.12
C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)CCC1	REAL300028774187	0	49	0.0	-76.09	362.45	3.09	-73.00
CCC(C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)[NH+](CC)CC	REAL300028774226	0	54	0.0	-65.31	398.34	4.36	-60.95
CC1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028774258	0	49	0.0	-67.92	381.27	3.77	-64.15
CC1CCC[N@H+]1CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028774258	1	49	0.0	-67.66	373.95	3.48	-64.18
CC(C)C1=[NH+]C=CN1CCC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028774357	1	53	0.0	-66.91	420.68	5.33	-61.58
CC(C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)[NH+]1CCCCCC1	REAL300028774364	0	55	0.0	-67.18	399.92	4.42	-62.76
CC(C)[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028774367	0	55	0.0	-64.71	405.96	4.57	-60.14
CC(C)[N@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028774367	1	55	0.0	-64.89	397.57	4.34	-60.55
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028774402	0	52	0.0	-70.43	385.31	4.33	-66.10
CC(C)[N@H+]1CCCC1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028774402	1	52	0.0	-67.25	390.35	4.06	-63.19
C[NH+](C)C(CN1C=CC=N1)C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028774409	1	52	0.0	-65.22	405.19	3.26	-61.96
CC(C)[N@@H+]1CCCC1CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028774415	0	55	0.0	-65.10	404.51	4.69	-60.41
CC(C)[N@H+]1CCCC1CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028774415	1	55	0.0	-70.59	414.70	4.77	-65.82
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1CCC[N@@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300028774416	0	56	0.0	-68.33	414.57	5.48	-62.85
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1CCC[N@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300028774416	1	56	0.0	-71.29	410.96	5.56	-65.73
CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)[NH+](C)C	REAL300028774443	0	51	0.0	-69.11	379.51	3.89	-65.22
CC1CC[N@H+](CC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028774480	0	49	0.0	-69.95	380.60	3.82	-66.13
CC1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028774480	1	49	0.0	-70.64	381.35	3.85	-66.79
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028774481	0	55	0.0	-69.89	411.85	4.22	-65.67
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028774481	1	55	0.0	-64.89	412.37	4.28	-60.61
CC1=[NH+]C=C2CC(C(=O)N3C[C@@H]4C[C@@H](NC(=O)C5=CC(=O)[N-]O5)[C@H]3C4)CCN21	REAL300028774483	1	51	0.0	-71.26	403.82	4.75	-66.51
C[NH+](C)CCC1=CC=C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C=C1	REAL300028774485	0	55	0.0	-85.00	430.30	5.96	-79.04
CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028774487	0	52	0.0	-70.10	400.26	4.38	-65.72
CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028774487	1	52	0.0	-70.19	399.91	4.38	-65.81
C[N@H+](CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)CC(C)(C)C	REAL300028774488	0	54	0.0	-71.11	403.06	4.55	-66.56
C[N@@H+](CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)CC(C)(C)C	REAL300028774488	1	54	0.0	-70.60	405.01	4.68	-65.92
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028774489	0	55	0.0	-74.61	434.38	6.58	-68.03
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028774489	1	55	0.0	-74.69	434.36	6.59	-68.10
CC[C@@H](C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)[NH+](C)C	REAL300028774501	0	48	0.0	-68.45	365.52	3.20	-65.25
CC(COCC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)[NH+]1CCCC1	REAL300028774509	0	56	0.0	-70.03	434.01	4.94	-65.09
CN(CCC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)C1=CC=[NH+]C=C1	REAL300028774682	0	51	0.0	-72.05	409.79	3.82	-68.23
CC1=[NH+]C=CN1CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028774815	1	44	0.0	-68.38	364.72	3.74	-64.64
CC(C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028774817	1	53	0.0	-73.82	407.44	2.72	-71.10
O=C(CCC[NH+]1CCCCC1)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028774839	0	55	0.0	-73.49	420.73	5.39	-68.10
C[NH+](C)CC1=CC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)=NO1	REAL300028774862	1	48	0.0	-80.49	391.68	3.28	-77.21
CC1=C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C=CC2=C[NH+]=CN21	REAL300028774864	0	47	0.0	-74.51	387.22	5.75	-68.76
CC(C)C1=[NH+]C=CN1CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028774918	1	50	0.0	-66.60	400.71	4.86	-61.74
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1CCCC3CCC[N@@H+]31)C2)C1=CC(=O)[N-]O1	REAL300028774975	0	53	0.0	-66.81	400.68	4.76	-62.05
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1CCCC3CCC[N@H+]31)C2)C1=CC(=O)[N-]O1	REAL300028774975	1	53	0.0	-63.59	400.51	4.84	-58.75
CC[N@@H+]1CCOC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028775013	1	50	0.0	-68.00	384.65	2.91	-65.09
CC[N@H+]1CCOC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028775013	1	50	0.0	-81.66	385.58	3.05	-78.61
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CN3C=[NH+]C=C3C=C1)C2)C1=CC(=O)[N-]O1	REAL300028775098	0	44	0.0	-74.79	369.86	5.50	-69.29
CC1=C[NH+]=CN1CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028775103	1	44	0.0	-69.52	365.07	4.48	-65.04
C[NH+](C)CCN1C=C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C=N1	REAL300028775109	0	52	0.0	-81.46	413.65	3.21	-78.25
C[NH+](C)CCN1C=CC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)=N1	REAL300028775125	0	52	0.0	-88.74	417.23	3.76	-84.98
C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)CC[N@@H+]1C	REAL300028775132	0	49	0.0	-72.92	370.77	3.34	-69.58
C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)CC[N@H+]1C	REAL300028775132	1	49	0.0	-74.58	377.03	3.34	-71.24
CCC1=[NH+]C=CN1C(C)CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028775135	1	53	0.0	-66.94	421.46	5.35	-61.59
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)CC[N@@H+]1C	REAL300028775138	0	52	0.0	-73.30	388.29	3.68	-69.62
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)CC[N@H+]1C	REAL300028775138	1	52	0.0	-72.70	393.09	4.01	-68.69
CC1CCC(C)[NH+]1CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028775163	0	52	0.0	-69.19	383.06	3.73	-65.46
O=C(CCC[NH+]1CCCC1)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028775170	0	52	0.0	-73.23	405.08	4.70	-68.53
C[NH+](C)CC1=CC=CC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)=C1	REAL300028775171	0	52	0.0	-75.04	407.70	5.16	-69.88
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)CC1	REAL300028775179	0	51	0.0	-69.50	403.97	4.77	-64.73
O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028775180	0	52	0.0	-72.95	399.28	4.57	-68.38
C[NH+](C)CC1=CC=CC=C1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028775185	0	52	0.0	-60.69	407.82	5.26	-55.43
CC[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028775195	0	52	0.0	-69.37	381.40	3.82	-65.55
CC[N@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028775195	1	52	0.0	-67.28	381.64	3.87	-63.41
CC(C)C(C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)[NH+]1CCCCC1	REAL300028775196	0	58	0.0	-70.53	420.75	5.50	-65.03
C[NH+](C)C(C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)C1=CC=CC=C1	REAL300028775199	1	52	0.0	-70.61	403.73	5.34	-65.27
O=C(CN1C=[NH+]C2=C1CCCC2)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028775208	1	51	0.0	-68.54	406.92	6.20	-62.34
C[NH+](C)CC1(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)CCCCC1	REAL300028775257	0	58	0.0	-80.79	409.71	5.16	-75.63
C[NH+](C)CCC1=CC=CC=C1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028775258	0	55	0.0	-71.06	428.58	5.95	-65.11
C[N@H+](CCC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)C1CCCCC1	REAL300028775264	0	58	0.0	-74.48	433.48	5.73	-68.75
C[N@@H+](CCC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)C1CCCCC1	REAL300028775264	1	58	0.0	-74.85	433.48	5.75	-69.10
C[NH+](C)C1(CC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)CCCC1	REAL300028775267	0	55	0.0	-75.90	399.19	4.55	-71.35
C[N@H+](CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)C1CCC1	REAL300028775529	0	49	0.0	-69.08	381.78	4.17	-64.91
C[N@@H+](CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)C1CCC1	REAL300028775529	1	49	0.0	-68.67	381.80	4.05	-64.62
CC(C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)[NH+]1C(C)CCC1C	REAL300028775566	0	55	0.0	-66.03	392.35	3.88	-62.15
O=C(CCCC[NH+]1CCCC1)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028775586	0	55	0.0	-74.66	424.73	5.37	-69.29
C[N@H+](CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)CC1=CC=CC=C1	REAL300028775589	1	52	0.0	-75.76	411.89	5.72	-70.04
C[N@@H+](CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)CC1=CC=CC=C1	REAL300028775589	1	52	0.0	-75.48	411.93	5.74	-69.74
C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)CC1	REAL300028775607	0	49	0.0	-75.92	379.87	3.67	-72.25
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028775684	0	46	0.0	-72.15	353.84	2.63	-69.52
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028775684	1	46	0.0	-68.97	357.66	3.00	-65.97
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028775710	1	48	0.0	-67.30	380.79	3.86	-63.44
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028775710	1	48	0.0	-68.72	383.85	4.23	-64.49
C[N@@H+]1CCCC1CCC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028775720	0	52	0.0	-75.34	402.73	4.61	-70.73
C[N@H+]1CCCC1CCC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028775720	1	52	0.0	-71.39	397.14	4.19	-67.20
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C13CCC[NH+](CCC1)C3)C2)C1=CC(=O)[N-]O1	REAL300028775734	0	53	0.0	-73.61	382.16	3.75	-69.86
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1CCC3CCCC[N@@H+]31)C2)C1=CC(=O)[N-]O1	REAL300028775742	0	53	0.0	-66.94	399.78	4.89	-62.05
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1CCC3CCCC[N@H+]31)C2)C1=CC(=O)[N-]O1	REAL300028775742	1	53	0.0	-69.27	395.49	4.55	-64.72
CCC[N@@H+]1CCCC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028775848	0	55	0.0	-59.45	406.23	4.92	-54.53
CCC[N@H+]1CCCC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028775848	1	55	0.0	-72.29	418.40	5.02	-67.27
CC(C)[N@@H+]1CCOC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028775872	1	53	0.0	-67.87	395.44	3.39	-64.48
CC(C)[N@H+]1CCOC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028775872	1	53	0.0	-75.79	395.43	3.39	-72.40
CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028775893	0	56	0.0	-72.80	405.77	2.74	-70.06
C[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028775914	0	49	0.0	-66.89	376.11	3.68	-63.21
C[N@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028775914	1	49	0.0	-68.53	364.01	3.23	-65.30
CC(C)C[N@@H+]1CCCC1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028775949	0	55	0.0	-68.31	415.51	5.08	-63.23
CC(C)C[N@H+]1CCCC1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028775949	1	55	0.0	-68.63	416.38	5.11	-63.52
O=C(C[NH+]1CCC(CO)CC1)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028775970	0	53	0.0	-72.35	409.28	1.34	-71.01
C[NH+]1C2CCC1CC(=CC(=O)N1C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]1C3)C2	REAL300028776012	0	54	0.0	-71.49	407.77	5.08	-66.41
CC1C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)CC[N@@H+]1C	REAL300028776034	0	49	0.0	-72.82	376.18	3.46	-69.36
CC1C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)CC[N@H+]1C	REAL300028776034	1	49	0.0	-74.42	377.10	3.36	-71.06
C[N@@H+]1CCCCC1CCC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028776038	0	55	0.0	-71.01	416.33	5.06	-65.95
C[N@H+]1CCCCC1CCC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028776038	1	55	0.0	-71.84	416.06	5.05	-66.79
NC1=[NH+]C2=C(C=C1C(=O)N1C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]1C3)CCC2	REAL300028776083	1	49	0.0	-64.30	388.11	2.87	-61.43
CC(C)(C)[N@@H+]1CCC1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028776175	0	52	0.0	-68.31	374.48	3.23	-65.08
CC(C)(C)[N@H+]1CCC1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028776175	1	52	0.0	-68.23	396.42	3.81	-64.42
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1CCN(C3=CC=[NH+]C=C3)C1)C2)C1=CC(=O)[N-]O1	REAL300028776195	0	52	0.0	-68.77	407.22	2.48	-66.29
C[C@@H](C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)[NH+](C)C	REAL300028776200	0	45	0.0	-69.19	352.50	2.51	-66.68
C[NH+](C)CC1=CC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)=CC=N1	REAL300028776222	1	51	0.0	-83.30	403.39	3.32	-79.98
C=CCC(C)(C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)[NH+](C)C	REAL300028776228	0	52	0.0	-71.25	377.29	3.69	-67.56
CC[NH+](CC)CCSCC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028776262	0	55	0.0	-76.91	433.35	5.18	-71.73
NC1=C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C=[NH+]C2=CC=CC=C21	REAL300028776263	1	48	0.0	-65.86	385.90	2.29	-63.57
O=C(CC[NH+]1CCCC1)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028776268	0	49	0.0	-72.99	383.63	3.88	-69.11
C[N@H+](CCO)CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028776278	1	46	0.0	-71.50	363.33	-0.42	-71.92
C[N@@H+](CCO)CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028776278	1	46	0.0	-72.14	363.11	-0.43	-72.57
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1C[N@@H+]3CCN1CCC3)C2)C1=CC(=O)[N-]O1	REAL300028776324	0	52	0.0	-82.66	384.00	1.88	-80.78
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1C[N@H+]3CCN1CCC3)C2)C1=CC(=O)[N-]O1	REAL300028776324	1	52	0.0	-76.19	382.32	1.40	-74.79
CC(C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)[NH+]1CCSCC1	REAL300028776361	1	50	0.0	-71.56	393.08	4.07	-67.49
C[N@H+]1CC=C(CC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)CC1	REAL300028776416	0	50	0.0	-70.90	394.33	4.48	-66.42
C[N@@H+]1CC=C(CC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)CC1	REAL300028776416	1	50	0.0	-68.94	394.45	4.48	-64.46
C[S+](C)CCC(O)C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028776436	0	48	0.0	-59.03	391.63	1.26	-57.77
C[N@@H+]1CC(O)CC1(C)C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028776464	0	50	0.0	-66.59	373.23	-0.51	-67.10
C[N@H+]1CC(O)CC1(C)C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028776464	1	50	0.0	-74.21	373.78	-0.28	-74.49
CN1CC[N@H+](C)CC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028776482	0	54	0.0	-66.19	406.66	2.03	-64.16
CN1CC[N@@H+](C)CC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028776482	1	54	0.0	-67.41	404.86	2.02	-65.39
CC(C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)[N@@H+]1CCCC(O)C1	REAL300028776483	0	53	0.0	-68.83	402.37	1.15	-67.68
CC(C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)[N@H+]1CCCC(O)C1	REAL300028776483	1	53	0.0	-70.94	402.33	1.18	-69.76
NC1=[NH+]C=C2CCCC2=C1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028776520	0	49	0.0	-72.47	396.04	2.95	-69.52
C[N@@H+]1CCCC(O)(CC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028776528	0	53	0.0	-71.97	402.53	2.61	-69.36
C[N@H+]1CCCC(O)(CC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028776528	1	53	0.0	-72.63	392.76	2.43	-70.20
CC1C[NH+](CC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028776535	1	46	0.0	-71.89	365.36	3.27	-68.62
CC[N@@H+]1CCCC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028776543	0	52	0.0	-65.94	389.03	4.45	-61.49
CC[N@H+]1CCCC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028776543	1	52	0.0	-66.54	396.22	4.26	-62.28
NC1=[NH+]C=CC=C1CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028776557	0	45	0.0	-68.31	369.56	1.95	-66.36
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1CCC[N@@H+]1C1CC1)C2)C1=CC(=O)[N-]O1	REAL300028776573	0	50	0.0	-66.99	388.67	4.46	-62.53
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1CCC[N@H+]1C1CC1)C2)C1=CC(=O)[N-]O1	REAL300028776573	1	50	0.0	-66.72	383.67	4.33	-62.39
O=C(C=CC[NH+]1CCCC1)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028776636	0	50	0.0	-75.55	396.96	4.54	-71.01
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1CC[NH+](C3CC3)CC1)C2)C1=CC(=O)[N-]O1	REAL300028776668	0	53	0.0	-75.55	408.66	5.06	-70.49
CC[N@H+](C)CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028776726	0	45	0.0	-70.95	353.01	2.82	-68.13
O=C(CN1CC2C=CC1C2)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028776805	0	48	0.0	-67.75	374.20	4.02	-63.73
O=C(C[N@@H+]1CC2C=CC1C2)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028776805	1	48	0.0	-67.04	374.62	3.94	-63.10
O=C(C[N@H+]1CC2C=CC1C2)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028776805	1	48	0.0	-67.04	374.62	3.94	-63.10
CC1=CC=C(NCCC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)N=C1	REAL300028776830	0	51	0.0	-68.72	414.16	3.54	-65.18
CC1=CC=C(NCCC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)[NH+]=C1	REAL300028776830	1	51	0.0	-68.72	414.16	3.54	-65.18
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1C[NH+]3CCN1CC3)C2)C1=CC(=O)[N-]O1	REAL300028776914	0	49	0.0	-82.63	367.91	0.35	-82.28
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C13CCC[N@@H+]1CCCC3)C2)C1=CC(=O)[N-]O1	REAL300028776975	0	53	0.0	-66.60	383.69	4.06	-62.54
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C13CCC[N@H+]1CCCC3)C2)C1=CC(=O)[N-]O1	REAL300028776975	1	53	0.0	-66.70	382.78	3.85	-62.85
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C13CCC[N@@H+]1CC=CC3)C2)C1=CC(=O)[N-]O1	REAL300028776987	0	51	0.0	-65.50	374.73	3.68	-61.82
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C13CCC[N@H+]1CC=CC3)C2)C1=CC(=O)[N-]O1	REAL300028776987	1	51	0.0	-65.49	376.46	3.81	-61.68
CC(OCC[NH+](C)C)C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028777001	0	52	0.0	-72.49	406.54	3.72	-68.77
C[NH+](C)CCOCCC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028777014	0	52	0.0	-72.63	412.08	2.95	-69.68
COCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028777016	1	49	0.0	-72.10	385.35	1.98	-70.12
COCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028777016	1	49	0.0	-71.63	385.56	1.99	-69.64
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1C[NH+](C3CCOC3)C1)C2)C1=CC(=O)[N-]O1	REAL300028777018	0	51	0.0	-80.76	401.81	2.50	-78.26
CC(CCC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)[NH+](C)C	REAL300028777023	0	51	0.0	-77.60	388.92	3.93	-73.67
C[NH+]1CCC(=CC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)CC1	REAL300028777053	0	50	0.0	-74.16	388.15	4.40	-69.76
CC[N@H+](CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)C1CC1	REAL300028777066	0	49	0.0	-67.67	383.63	4.18	-63.49
CC[N@@H+](CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)C1CC1	REAL300028777066	1	49	0.0	-68.52	381.94	4.08	-64.44
C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)CCCSC1	REAL300028777071	0	53	0.0	-79.93	388.30	4.31	-75.62
CC1C[N@@H+]2CCN1C(C(=O)N1C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]1C3)C2	REAL300028777086	0	52	0.0	-77.35	384.01	0.86	-76.49
CC1C[N@H+]2CCN1C(C(=O)N1C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]1C3)C2	REAL300028777086	1	52	0.0	-82.90	384.11	0.84	-82.06
C[N@@H+]1CC2CC1(C(=O)N1C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]1C3)C2	REAL300028777125	0	47	0.0	-76.33	358.35	3.34	-72.99
C[N@H+]1CC2CC1(C(=O)N1C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]1C3)C2	REAL300028777125	1	47	0.0	-74.82	358.64	3.27	-71.55
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028777137	1	49	0.0	-72.90	399.62	2.79	-70.11
O=C(C[N@@H+]1CC2CCC1C2)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028777146	0	50	0.0	-69.33	381.50	4.20	-65.13
O=C(C[N@H+]1CC2CCC1C2)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028777146	1	50	0.0	-67.70	379.54	4.04	-63.66
CC(C)[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)CC1	REAL300028777164	0	58	0.0	-68.14	432.90	5.71	-62.43
CC(C[NH+](C)C)C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028777180	0	48	0.0	-72.81	371.28	3.18	-69.63
C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)CC1	REAL300028777201	0	46	0.0	-71.64	356.45	2.81	-68.83
C[C@H](C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)[NH+](C)C	REAL300028777234	0	45	0.0	-71.02	351.95	2.42	-68.60
CC[N@@H+]1CCC1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028777248	1	46	0.0	-71.30	366.66	3.10	-68.20
CC[N@H+]1CCC1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028777248	1	46	0.0	-70.99	366.85	3.10	-67.89
CC(C)[N@@H+]1CCCC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028777266	0	55	0.0	-58.17	401.28	4.66	-53.51
CC(C)[N@H+]1CCCC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028777266	1	55	0.0	-69.80	414.13	4.83	-64.97
CCC(C)(C)[NH2+]C(C)C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028777294	0	54	0.0	-69.91	398.68	2.74	-67.17
C#CC[N@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028777354	1	51	0.0	-67.68	389.56	4.36	-63.32
C#CC[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028777354	1	51	0.0	-70.17	388.75	4.38	-65.79
CNC1=[NH+]C(C)=CC=C1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028777358	1	48	0.0	-66.81	384.50	2.70	-64.11
NC1=CC=[NH+]C=C1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028777359	0	42	0.0	-73.53	343.25	0.07	-73.46
C[NH+](C)C(CC1=CC=CC=C1)C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028777365	0	55	0.0	-79.62	417.41	5.82	-73.80
CCCC(C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)[NH+](C)C	REAL300028777372	0	51	0.0	-72.24	386.60	3.93	-68.31
C[NH+](C)C(C)(C)C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028777380	0	48	0.0	-74.46	353.36	2.91	-71.55
CC(CC[NH+](C)C)C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028777407	0	51	0.0	-70.37	394.81	3.89	-66.48
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)[C@@H]1CCC[N@@H+]3CCCC[C@H]13)C2)C1=CC(=O)[N-]O1	REAL300028777476	0	56	0.0	-67.23	399.91	4.52	-62.71
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)[C@@H]1CCC[N@H+]3CCCC[C@H]13)C2)C1=CC(=O)[N-]O1	REAL300028777476	1	56	0.0	-59.12	407.52	5.35	-53.77
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C13CC(C1)C[N@@H+]3C1CC1)C2)C1=CC(=O)[N-]O1	REAL300028777517	0	51	0.0	-70.73	394.78	4.44	-66.29
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C13CC(C1)C[N@H+]3C1CC1)C2)C1=CC(=O)[N-]O1	REAL300028777517	1	51	0.0	-73.71	385.01	5.34	-68.37
COCCCC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028777569	0	58	0.0	-78.27	451.83	3.96	-74.31
COCCCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028777569	1	58	0.0	-78.38	451.83	3.97	-74.41
C[N@@H+]1CC(C)(C)CC1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028777581	0	52	0.0	-66.61	397.07	4.08	-62.53
C[N@H+]1CC(C)(C)CC1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028777581	1	52	0.0	-69.50	397.05	4.15	-65.35
C[NH+](C)CCCCCC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028777587	0	54	0.0	-75.00	421.89	5.08	-69.92
O=C(CC[NH+]1CCC(O)CC1)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028777593	0	53	0.0	-76.32	409.67	1.19	-75.13
CCC[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028777599	0	55	0.0	-69.50	403.19	4.52	-64.98
CCC[N@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028777599	1	55	0.0	-67.98	403.06	4.61	-63.37
CC[NH+]1CCN(CCC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)CC1	REAL300028777610	0	57	0.0	-75.19	433.84	2.82	-72.37
CCN1CC[NH+](CCC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)CC1	REAL300028777610	1	57	0.0	-74.19	433.68	2.81	-71.38
C[NH+]1CCN(CC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)CC1	REAL300028777614	1	51	0.0	-71.60	394.08	1.64	-69.96
CC(C)C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)CC1	REAL300028777757	0	58	0.0	-65.72	433.81	5.71	-60.01
CC1C[N@H+](C)CC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)O1	REAL300028777760	1	50	0.0	-88.67	382.24	2.73	-85.94
CC1C[N@@H+](C)CC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)O1	REAL300028777760	1	50	0.0	-85.13	381.68	2.74	-82.39
CCC1CCC[N@H+](CC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028777802	0	55	0.0	-71.66	409.26	5.22	-66.44
CCC1CCC[N@@H+](CC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028777802	1	55	0.0	-69.89	408.80	4.80	-65.09
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)N1	REAL300028777813	0	50	0.0	-85.86	397.10	3.38	-82.48
O=C(C[NH+]1CC2CC2C1)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028777838	0	47	0.0	-71.10	371.24	4.02	-67.08
O=C(CC1([NH+]2CCCC2)CC1)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028777861	0	53	0.0	-69.53	401.61	4.88	-64.65
CC([NH2+]C1(CO)CCCC1)C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028777884	0	56	0.0	-68.81	417.43	0.09	-68.72
C[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028777921	0	49	0.0	-66.89	376.11	3.68	-63.21
C[N@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028777921	1	49	0.0	-68.53	364.01	3.23	-65.30
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1CC[N@@H+]1CC1=CC=CC=C1)C2)C1=CC(=O)[N-]O1	REAL300028777929	1	53	0.0	-75.27	426.82	6.11	-69.16
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1CC[N@H+]1CC1=CC=CC=C1)C2)C1=CC(=O)[N-]O1	REAL300028777929	1	53	0.0	-75.35	426.79	6.12	-69.23
CC(C)C[N@@H+]1CCCC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028777936	0	58	0.0	-72.57	435.97	5.72	-66.85
CC(C)C[N@H+]1CCCC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028777936	1	58	0.0	-70.43	436.69	5.77	-64.66
C[NH+](C)C1CCN(CC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)CC1	REAL300028778011	0	57	0.0	-72.12	428.40	2.83	-69.29
C[N@@H+]1CCC(=CC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028778093	0	47	0.0	-75.97	373.43	3.66	-72.31
C[N@H+]1CCC(=CC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028778093	1	47	0.0	-76.55	373.41	3.67	-72.88
O=C(CNC1=CC=[NH+]C=C1)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028778101	0	45	0.0	-73.00	370.97	1.40	-71.60
CC[NH+]1CCN(CC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)CC1	REAL300028778174	0	54	0.0	-69.89	412.20	2.31	-67.58
O=C(C=C1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028778177	0	51	0.0	-67.35	390.67	4.51	-62.84
C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)CCCC1	REAL300028778233	0	52	0.0	-69.63	369.35	3.28	-66.35
C[N@H+](CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)[C@@H]1CCC[C@H]1O	REAL300028778250	0	53	0.0	-67.84	406.12	1.33	-66.51
C[N@@H+](CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)[C@@H]1CCC[C@H]1O	REAL300028778250	1	53	0.0	-69.03	405.73	1.40	-67.63
CCC1C[NH+](CC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028778258	0	49	0.0	-72.32	388.16	4.00	-68.32
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1C[NH+](C3CCOCC3)C1)C2)C1=CC(=O)[N-]O1	REAL300028778262	0	54	0.0	-78.94	418.60	3.08	-75.86
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1([NH+]3CCCC3)CCC1)C2)C1=CC(=O)[N-]O1	REAL300028778265	0	53	0.0	-69.57	390.36	4.68	-64.89
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028778282	0	46	0.0	-68.04	357.18	2.98	-65.06
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028778282	1	46	0.0	-68.56	353.90	2.63	-65.93
CCN1CCOCC1CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028778324	0	53	0.0	-76.88	403.62	2.57	-74.31
CC[N@@H+]1CCOCC1CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028778324	1	53	0.0	-75.26	398.77	2.46	-72.80
CC[N@H+]1CCOCC1CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028778324	1	53	0.0	-75.26	398.77	2.46	-72.80
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)NC3=C1CCC[NH2+]3)C2)C1=CC(=O)[N-]O1	REAL300028778333	0	50	0.0	-93.40	402.76	1.58	-91.82
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1C[NH+](C3CCCCC3)C1)C2)C1=CC(=O)[N-]O1	REAL300028778353	0	56	0.0	-73.98	426.91	5.52	-68.46
COC1C[N@@H+]2CCCC2(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028778375	0	54	0.0	-66.27	404.16	2.39	-63.88
COC1C[N@H+]2CCCC2(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028778375	1	54	0.0	-66.27	404.16	2.39	-63.88
NC1=NC2=CC(C(=O)N3C[C@@H]4C[C@@H](NC(=O)C5=CC(=O)[N-]O5)[C@H]3C4)=CC=C2N1	REAL300028778452	0	46	0.0	-77.64	373.46	2.90	-74.74
NC1=[NH+]C2=CC(C(=O)N3C[C@@H]4C[C@@H](NC(=O)C5=CC(=O)[N-]O5)[C@H]3C4)=CC=C2N1	REAL300028778452	1	46	0.0	-77.64	373.46	2.90	-74.74
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028778508	0	49	0.0	-75.15	385.11	3.93	-71.22
C[NH+](C)CCC1(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)CCCC1	REAL300028778521	0	58	0.0	-83.94	426.62	5.13	-78.81
CC1CCCC(C)[NH+]1CCC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028778523	0	58	0.0	-70.58	425.82	5.27	-65.31
C[NH+](C)C1CCC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)CC1	REAL300028778526	0	55	0.0	-59.47	401.24	4.32	-55.15
C[NH+](C)CCC1(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)CC1	REAL300028778527	0	52	0.0	-81.09	406.46	4.49	-76.60
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)CC1	REAL300028778532	0	55	0.0	-62.91	403.07	4.59	-58.32
C[N@@H+]1CC=CCC1CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028778533	0	50	0.0	-62.90	381.60	4.14	-58.76
C[N@H+]1CC=CCC1CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028778533	1	50	0.0	-66.23	381.45	4.14	-62.09
CC1=CC(C=CC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)=C[NH+]=C1N	REAL300028778606	1	49	0.0	-76.77	399.94	3.05	-73.72
C[NH+](C)CCOCC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028778623	0	49	0.0	-73.11	391.11	3.25	-69.86
CCCCC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028778630	0	57	0.0	-75.34	439.66	5.67	-69.67
CCCCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028778630	1	57	0.0	-75.44	439.66	5.68	-69.76
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)O1	REAL300028778645	0	53	0.0	-74.66	409.60	4.22	-70.44
[NH2+]=C1SC=CN1CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028778680	0	42	0.0	-67.91	362.40	2.31	-65.60
C[C@@H](OCC[NH+](C)C)C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028778783	0	52	0.0	-72.46	406.82	3.71	-68.75
O=C(CC[NH+]1CCCCCC1)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028778866	0	55	0.0	-74.71	409.32	4.77	-69.94
O=C(C[NH+]1CCCCC1)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028778871	0	49	0.0	-70.87	377.14	4.00	-66.87
C[N@@H+]1CCCC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028778873	0	49	0.0	-75.31	379.81	3.63	-71.68
C[N@H+]1CCCC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028778873	1	49	0.0	-64.48	369.25	3.76	-60.72
O=C(C[NH+]1CCC(CO)CC1)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028778875	0	53	0.0	-72.35	409.28	1.34	-71.01
O=C(C[NH+]1CCCCCC1)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028778881	0	52	0.0	-70.72	386.40	4.19	-66.53
CN1C=C[N+](CC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)=C1	REAL300028778888	0	44	0.0	-69.60	366.27	5.65	-63.95
C[N@@H+]1CCCC(C(C)(C)C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028778909	0	58	0.0	-86.61	409.95	4.15	-82.46
C[N@H+]1CCCC(C(C)(C)C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028778909	1	58	0.0	-76.49	407.26	4.29	-72.20
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)O1	REAL300028778915	1	49	0.0	-83.39	397.01	3.92	-79.47
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C=N1	REAL300028778924	0	51	0.0	-81.83	403.26	3.29	-78.54
O=C(C[NH+]1CCC(O)CC1)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028778945	1	50	0.0	-76.08	388.61	0.66	-75.42
C[N@H+](CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)C1CC1	REAL300028778952	0	46	0.0	-68.15	364.85	3.58	-64.57
C[N@@H+](CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)C1CC1	REAL300028778952	1	46	0.0	-68.45	364.88	3.55	-64.90
CC(C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)N1CC[NH+](C)CC1	REAL300028778954	1	54	0.0	-72.27	411.65	1.99	-70.28
O=C(CC[N@H+]1CCC(F)C1)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028778960	0	49	0.0	-75.12	390.15	3.91	-71.21
O=C(CC[N@@H+]1CCC(F)C1)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028778960	1	49	0.0	-78.57	389.88	3.91	-74.66
COC1C[N@H+](C)C(C)(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028778977	0	53	0.0	-74.66	395.59	2.06	-72.60
COC1C[N@@H+](C)C(C)(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028778977	1	53	0.0	-65.21	395.38	1.86	-63.35
C[NH+](C)CCC1=CC=CC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)=C1	REAL300028778999	0	55	0.0	-77.59	430.19	6.00	-71.59
CC(CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)C[NH+](C)C	REAL300028779005	0	51	0.0	-75.02	392.39	4.15	-70.87
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1CC[N@@H+]3CCOCC13)C2)C1=CC(=O)[N-]O1	REAL300028779028	0	51	0.0	-69.95	386.17	2.26	-67.69
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1CC[N@H+]3CCOCC13)C2)C1=CC(=O)[N-]O1	REAL300028779028	1	51	0.0	-68.13	386.48	2.29	-65.84
CC1=[NH+]C=C2C=CC(C(=O)N3C[C@@H]4C[C@@H](NC(=O)C5=CC(=O)[N-]O5)[C@H]3C4)=CN21	REAL300028779037	0	47	0.0	-69.68	391.10	5.27	-64.41
C[N@@H+]1CCOCC1CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028779061	1	50	0.0	-65.10	378.55	1.84	-63.26
C[N@H+]1CCOCC1CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028779061	1	50	0.0	-78.58	385.99	1.98	-76.60
C[NH+](C)CC(C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)C1=CC=CC=C1	REAL300028779071	0	55	0.0	-80.01	429.52	6.09	-73.92
CC[NH+]1CCN(CC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)CC1	REAL300028779077	0	54	0.0	-69.89	412.20	2.31	-67.58
CC1=CC(N)=[NH+]C=C1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028779151	1	45	0.0	-75.48	364.31	1.37	-74.11
NC1=CC=C(CCC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C=[NH+]1	REAL300028779154	0	48	0.0	-71.66	394.47	2.62	-69.04
CC1(O)CC[N@H+](CC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028779222	0	50	0.0	-71.71	391.87	0.48	-71.23
CC1(O)CC[N@@H+](CC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028779222	1	50	0.0	-70.16	391.32	0.54	-69.62
C[NH+](C)CCN1N=CC=C1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028779233	0	52	0.0	-65.59	409.27	3.29	-62.30
C[NH+]1CC(CC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028779273	0	46	0.0	-72.27	366.94	2.91	-69.36
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1CC[N@@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300028779279	0	53	0.0	-71.74	407.84	5.07	-66.67
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1CC[N@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300028779279	1	53	0.0	-69.78	399.26	4.54	-65.24
C[NH+](C)CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028779289	0	42	0.0	-71.90	335.47	2.07	-69.83
C[N@H+](CCO)CCC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028779336	0	49	0.0	-73.90	385.51	0.15	-73.75
C[N@@H+](CCO)CCC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028779336	1	49	0.0	-72.61	385.45	0.15	-72.46
C[C@@H](C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)[NH+](C)C	REAL300028779337	0	45	0.0	-69.19	352.50	2.51	-66.68
C[N@@H+]1CCCCC1CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028779365	0	52	0.0	-62.20	387.05	4.21	-57.99
C[N@H+]1CCCCC1CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028779365	1	52	0.0	-65.80	386.95	4.23	-61.57
CC1=C2C=C(C(=O)N3C[C@@H]4C[C@@H](NC(=O)C5=CC(=O)[N-]O5)[C@H]3C4)C=CN2C=[NH+]1	REAL300028779399	1	47	0.0	-74.86	391.91	6.11	-68.75
CC(C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)[NH+]1CC(C)C1	REAL300028779400	0	49	0.0	-71.25	376.82	3.42	-67.83
CC1CC[N@@H+]1CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028779406	1	46	0.0	-69.16	360.79	2.94	-66.22
CC1CC[N@H+]1CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028779406	1	46	0.0	-68.94	361.00	2.93	-66.01
C[NH+](C)CC=CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028779427	0	46	0.0	-76.49	370.63	3.33	-73.16
CC1(C)C[NH+](CC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C1	REAL300028779443	1	49	0.0	-71.28	385.88	3.82	-67.46
O=C(CCCC[NH+]1CCCCC1)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028779457	0	58	0.0	-74.12	442.03	6.17	-67.95
CC1=C(C)[NH+]=C(CCC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)N1	REAL300028779472	1	50	0.0	-67.63	405.66	3.42	-64.21
C[NH+]1CCC(C2(C(=O)N3C[C@@H]4C[C@@H](NC(=O)C5=CC(=O)[N-]O5)[C@H]3C4)CC2)CC1	REAL300028779486	0	56	0.0	-78.21	420.53	5.21	-73.00
CC1=C2C=C(C(=O)N3C[C@@H]4C[C@@H](NC(=O)C5=CC(=O)[N-]O5)[C@H]3C4)C=CN2C=[NH+]1	REAL300028779496	1	47	0.0	-74.86	391.91	6.11	-68.75
C[NH+](C)CCSCC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028779509	0	49	0.0	-79.03	402.13	4.12	-74.91
CC(C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)[N@H+](C)CC1=CC=CC=C1	REAL300028779530	0	55	0.0	-72.26	429.32	6.09	-66.17
CC(C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)[N@@H+](C)CC1=CC=CC=C1	REAL300028779530	1	55	0.0	-71.35	427.51	6.04	-65.31
NC1=[NH+]C2=C(C=C1C(=O)N1C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]1C3)CCCC2	REAL300028779534	1	52	0.0	-64.96	405.60	3.41	-61.55
O=C(C[N@H+]1CCCC1CO)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028779542	0	50	0.0	-67.14	380.90	0.68	-66.46
O=C(C[N@@H+]1CCCC1CO)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028779542	1	50	0.0	-68.56	381.00	0.68	-67.88
CC[NH+](CC)CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028779545	0	48	0.0	-69.91	371.48	3.46	-66.45
C[N@H+](CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)C1CCSC1	REAL300028779558	0	50	0.0	-76.34	394.63	4.37	-71.97
C[N@@H+](CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)C1CCSC1	REAL300028779558	1	50	0.0	-74.98	394.85	4.42	-70.56
O=C(C[NH+]1CCC1)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028779560	1	43	0.0	-71.77	345.62	2.52	-69.25
CC[NH+](CC)CCC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028779626	0	51	0.0	-73.39	388.83	3.79	-69.60
NC(=O)C1CC[NH+](CC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)CC1	REAL300028779652	0	53	0.0	-85.70	413.52	0.70	-85.00
C[NH+](C)CC1=CNC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)=C1	REAL300028779711	0	50	0.0	-78.33	396.71	3.51	-74.82
CC(C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)[NH+]1CCC(O)CC1	REAL300028779737	0	53	0.0	-71.70	395.72	0.71	-70.99
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1CC3COCC[N@@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300028779745	0	51	0.0	-74.48	390.45	2.28	-72.20
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1CC3COCC[N@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300028779745	1	51	0.0	-74.56	390.23	2.29	-72.27
CC(C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)[NH+]1CCC1	REAL300028779767	1	46	0.0	-64.19	361.22	2.94	-61.25
CCC(CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)C[NH+](C)C	REAL300028779779	0	54	0.0	-77.52	410.12	4.77	-72.75
NC1=CC=C(C=CC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C=[NH+]1	REAL300028779788	0	46	0.0	-77.43	382.01	2.34	-75.09
C[NH+](C)CC(C)(C)C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028779789	0	51	0.0	-76.94	373.15	3.55	-73.39
C[NH+](C)C(CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)C1=CC=CC=C1	REAL300028779834	0	55	0.0	-63.99	422.52	6.06	-57.93
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028779872	0	49	0.0	-70.11	363.60	3.22	-66.89
C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028779872	1	49	0.0	-69.65	375.60	3.63	-66.02
CC1CN2CC[N@@H+]1CC2C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028779889	0	52	0.0	-80.73	384.33	0.83	-79.90
CC1CN2CC[N@H+]1CC2C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028779889	1	52	0.0	-75.64	384.08	0.80	-74.84
C[NH+](C)CC(O)CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028779922	0	49	0.0	-78.06	387.93	1.18	-76.88
C[NH+]1C2CCC1CC(C(=O)N1C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]1C3)C2	REAL300028779925	0	53	0.0	-73.75	367.79	3.89	-69.86
C=CCC(C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)[NH+](C)C	REAL300028779979	0	49	0.0	-65.90	375.74	3.48	-62.42
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1CC3CCCC[N@@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300028779994	0	53	0.0	-71.15	399.62	4.71	-66.44
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1CC3CCCC[N@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300028779994	1	53	0.0	-77.24	399.41	4.59	-72.65
C[NH+]1CCC(C)(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)CC1	REAL300028780011	0	52	0.0	-74.13	382.19	3.67	-70.46
C[NH+]1CCC(O)(CC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)CC1	REAL300028780017	0	53	0.0	-71.43	402.87	2.58	-68.85
COCC[N@@H+]1CCCC1CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028780033	0	56	0.0	-72.12	424.63	3.48	-68.64
COCC[N@H+]1CCCC1CC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028780033	1	56	0.0	-70.22	433.05	3.53	-66.69
C[NH+]1C2CCC1CC(CC(=O)N1C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]1C3)C2	REAL300028780048	0	56	0.0	-69.75	414.21	5.07	-64.68
C[NH+](C)CCN1N=CC=C1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028780093	0	52	0.0	-70.49	412.09	3.49	-67.00
C[NH+]1CCC(C2(C(=O)N[C@@H]3C[C@@H]4C[C@H]3N(C(=O)C3=CC(=O)[N-]O3)C4)CC2)CC1	REAL300028780142	0	56	0.0	-69.00	420.88	5.72	-63.28
CC1=C2C=C(C(=O)N[C@@H]3C[C@@H]4C[C@H]3N(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300028780154	1	47	0.0	-80.43	385.28	6.11	-74.32
C[NH+](C)CCSCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028780166	0	49	0.0	-82.46	399.35	3.95	-78.51
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2COCC[N@@H+]2C1	REAL300028780178	0	51	0.0	-74.25	390.91	2.37	-71.88
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2COCC[N@H+]2C1	REAL300028780178	1	51	0.0	-77.80	391.33	2.34	-75.46
C[N@@H+]1CCCC1C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028780342	0	49	0.0	-50.37	362.66	5.45	-44.92
C[N@H+]1CCCC1C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028780342	1	49	0.0	-67.00	369.67	3.96	-63.04
C[N@@H+]1CCOC(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028780366	1	50	0.0	-83.46	377.04	3.38	-80.08
C[N@H+]1CCOC(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028780366	1	50	0.0	-73.74	373.36	3.16	-70.58
CC(C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+]1CCCCCC1	REAL300028780537	0	58	0.0	-71.49	406.82	6.76	-64.73
CC(C)[N@@H+]1CCCCC1C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028780539	0	58	0.0	-70.44	420.23	5.61	-64.83
CC(C)[N@H+]1CCCCC1C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028780539	1	58	0.0	-62.13	416.29	5.47	-56.66
CC(C)[N@@H+]1CCCC1C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028780560	0	55	0.0	-75.14	399.74	5.48	-69.66
CC(C)[N@H+]1CCCC1C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028780560	1	55	0.0	-73.34	389.22	6.49	-66.85
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CC2CCCC[N@@H+]2C1	REAL300028780577	0	56	0.0	-73.99	405.67	6.57	-67.42
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CC2CCCC[N@H+]2C1	REAL300028780577	1	56	0.0	-76.09	404.91	7.04	-69.05
CC(C)C1=[NH+]C=CN1CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028780599	1	53	0.0	-70.00	402.50	7.01	-62.99
CC1=[NH+]C=CN1CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028780633	1	47	0.0	-52.98	366.18	6.01	-46.97
CC(C[NH+]1CCOCC1)C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028780635	0	56	0.0	-78.64	418.21	3.81	-74.83
O=C(CCC[NH+]1CCCCC1)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028780652	0	58	0.0	-70.53	428.74	6.15	-64.38
CC(C)(C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+]1CCCCC1	REAL300028780671	0	58	0.0	-48.62	402.44	7.32	-41.30
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1C[NH+]2CCC1CC2	REAL300028780681	0	53	0.0	-79.45	375.11	5.94	-73.51
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CCCC2CCC[N@@H+]21	REAL300028780727	0	56	0.0	-71.91	392.36	6.82	-65.09
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CCCC2CCC[N@H+]21	REAL300028780727	1	56	0.0	-67.96	402.08	6.74	-61.22
C[C@@H]1[C@H](C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC[N@@H+]1C	REAL300028780743	0	52	0.0	-79.52	384.34	4.54	-74.98
C[C@@H]1[C@H](C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC[N@H+]1C	REAL300028780743	1	52	0.0	-80.70	389.68	4.45	-76.25
CC[C@@H]1[C@@H](C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC[N@@H+]1C	REAL300028780748	0	55	0.0	-76.28	395.06	5.74	-70.54
CC[C@@H]1[C@@H](C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC[N@H+]1C	REAL300028780748	1	55	0.0	-77.19	399.15	6.31	-70.88
CC[N@@H+]1CCOC(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028780763	1	53	0.0	-75.55	398.27	3.99	-71.56
CC[N@H+]1CCOC(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028780763	1	53	0.0	-65.08	391.18	3.84	-61.24
CC[NH+](CC)CC(F)C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028780809	0	54	0.0	-48.24	400.17	6.41	-41.83
CC1CCC(C)[NH+]1CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028780882	0	55	0.0	-48.82	394.44	6.43	-42.39
O=C(CCC[NH+]1CCCC1)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028780888	0	55	0.0	-57.81	406.55	7.03	-50.78
C[NH+](C)CC1=CC=CC(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)=C1	REAL300028780889	0	55	0.0	-67.59	414.88	7.87	-59.72
C#CC[NH+]1CCC(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028780894	0	54	0.0	-73.38	412.40	5.71	-67.67
O=C(CC[NH+]1CCCCC1)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028780895	0	55	0.0	-53.84	400.75	6.81	-47.03
C[NH+](C)CC1=CC=CC=C1C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028780898	0	55	0.0	-57.97	407.36	8.15	-49.82
CC[N@@H+]1CCCCC1C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028780902	0	55	0.0	-52.32	381.17	6.72	-45.60
CC[N@H+]1CCCCC1C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028780902	1	55	0.0	-70.87	397.65	5.24	-65.63
C[NH+](C)C(C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CC=CC=C1	REAL300028780905	1	55	0.0	-48.03	411.40	7.88	-40.15
CC(C)C[N@@H+]1CCC(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028780922	0	58	0.0	-68.21	427.69	5.89	-62.32
CC(C)C[N@H+]1CCC(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028780922	1	58	0.0	-76.33	421.29	7.32	-69.01
C[NH+](C)C1(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)CCC1	REAL300028780926	0	52	0.0	-69.15	367.93	5.34	-63.81
CC(C)[N@@H+]1CCCC1CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028780928	0	58	0.0	-64.72	413.03	5.46	-59.26
CC(C)[N@H+]1CCCC1CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028780928	1	58	0.0	-53.54	415.74	7.15	-46.39
CC(C)[C@@H](C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300028780943	0	54	0.0	-73.15	383.19	5.83	-67.32
C[N@H+](CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CCC1	REAL300028780992	0	52	0.0	-50.84	382.96	6.38	-44.46
C[N@@H+](CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CCC1	REAL300028780992	1	52	0.0	-67.54	389.27	4.86	-62.68
CC(C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+]1C(C)CCC1C	REAL300028781056	0	58	0.0	-69.64	417.86	5.51	-64.13
CN(CCC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CC=[NH+]C=C1	REAL300028781112	0	54	0.0	-51.85	411.22	6.04	-45.81
C#CC[N@H+]1CCC[C@H]1C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028781120	1	51	0.0	-73.67	384.87	6.03	-67.64
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028781120	1	51	0.0	-73.78	399.18	5.36	-68.42
C[N@@H+]1CCCC1CCC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028781126	0	55	0.0	-78.32	404.64	6.86	-71.46
C[N@H+]1CCCC1CCC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028781126	1	55	0.0	-57.05	398.48	6.45	-50.60
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C12CCC[NH+](CCC1)C2	REAL300028781137	0	56	0.0	-70.46	400.72	5.10	-65.36
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CCC2CCCC[N@@H+]21	REAL300028781144	0	56	0.0	-70.91	415.14	6.09	-64.82
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CCC2CCCC[N@H+]21	REAL300028781144	1	56	0.0	-63.19	410.87	5.81	-57.38
O=C(CCCC[NH+]1CCCC1)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028781164	0	58	0.0	-59.96	428.08	7.70	-52.26
C[N@H+](CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)CC1=CC=CC=C1	REAL300028781166	1	55	0.0	-73.65	419.81	6.48	-67.17
C[N@@H+](CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)CC1=CC=CC=C1	REAL300028781166	1	55	0.0	-81.37	413.65	7.87	-73.50
C[NH+]1CCC(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028781177	0	52	0.0	-72.74	387.73	4.56	-68.18
C[NH+](C)CC1=CC(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)=NO1	REAL300028781218	1	51	0.0	-72.82	395.62	5.46	-67.36
CC1=C(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C=CC2=C[NH+]=CN21	REAL300028781219	0	50	0.0	-83.08	399.75	6.76	-76.32
C[N@@H+]1CCCCC1C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028781251	0	52	0.0	-67.02	385.04	4.51	-62.51
C[N@H+]1CCCCC1C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028781251	1	52	0.0	-69.83	379.37	5.48	-64.35
CC(C)C[N@@H+]1CCCC1C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028781274	0	58	0.0	-65.70	428.01	6.11	-59.59
CC(C)C[N@H+]1CCCC1C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028781274	1	58	0.0	-73.49	416.55	7.00	-66.49
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CN2C=[NH+]C=C2C=C1	REAL300028781379	0	47	0.0	-75.17	367.05	7.78	-67.39
CC1=[NH+]C=CN1CCCC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028781388	1	53	0.0	-55.94	407.69	7.39	-48.55
C[NH+](C)CC1=CC=C(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C=C1	REAL300028781393	0	55	0.0	-82.10	415.08	7.76	-74.34
O=C(CC[NH+]1CCOCC1)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028781394	1	53	0.0	-56.16	392.01	4.39	-51.77
CC1=C[NH+]=CN1CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028781425	1	47	0.0	-74.91	366.76	6.63	-68.28
O=C(CN1C=[NH+]C2=C1CCCC2)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028781431	1	54	0.0	-49.98	408.33	8.47	-41.51
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C12CCC[NH+]1CCC2	REAL300028781467	0	53	0.0	-81.30	391.33	5.08	-76.22
C[NH+](C)C1CCCC(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028781496	0	58	0.0	-68.28	419.79	5.84	-62.44
C[N@@H+]1CCC(CC(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028781499	0	52	0.0	-60.41	383.22	5.97	-54.44
C[N@H+]1CCC(CC(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028781499	1	52	0.0	-78.21	384.01	5.62	-72.59
CN(C)C1=CC=[NH+]C=C1C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028781511	0	51	0.0	-53.52	387.23	5.23	-48.29
CCC(C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300028781516	0	51	0.0	-52.56	360.99	5.45	-47.11
C[NH+](C)C1(CC(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)CCCC1	REAL300028781530	0	58	0.0	-79.66	401.42	6.75	-72.91
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CC2=C[NH+]=CN2C=C1	REAL300028781574	1	47	0.0	-72.70	373.64	6.42	-66.28
C[NH+](C)CCCCC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028781632	0	54	0.0	-71.78	408.60	5.04	-66.74
CC(C)C(C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300028781652	0	54	0.0	-48.98	385.42	6.53	-42.45
CCC[N@H+](C)CCC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028781654	0	54	0.0	-71.13	404.75	4.85	-66.28
CCC[N@@H+](C)CCC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028781654	1	54	0.0	-71.20	404.75	4.86	-66.34
CCC[N@H+](C)CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028781660	0	51	0.0	-51.63	375.98	5.81	-45.82
CCC[N@@H+](C)CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028781660	1	51	0.0	-69.66	382.38	4.30	-65.36
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C12CC[N@H+](C1)CCC2	REAL300028781684	0	53	0.0	-70.77	385.29	4.09	-66.68
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C12CC[N@@H+](C1)CCC2	REAL300028781684	1	53	0.0	-76.68	377.19	5.45	-71.23
C[N@@H+]1CCC[C@@H]1C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028781724	0	49	0.0	-73.23	356.62	4.81	-68.42
C[N@H+]1CCC[C@@H]1C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028781724	1	49	0.0	-71.76	363.12	5.09	-66.67
CCCCCC[N@H+](C)CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028781784	0	60	0.0	-52.45	440.47	8.16	-44.29
CCCCCC[N@@H+](C)CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028781784	1	60	0.0	-70.75	446.88	6.64	-64.11
CC[NH+](CC)C(C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C(C)C	REAL300028781789	0	60	0.0	-46.73	413.57	7.72	-39.01
CC[NH+](CC)CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028781798	0	51	0.0	-68.46	374.72	3.99	-64.47
CCC[N@@H+]1CCCC(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028781830	0	58	0.0	-70.50	414.89	7.53	-62.97
CCC[N@H+]1CCCC(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028781830	1	58	0.0	-69.66	414.51	7.50	-62.16
CC(C)[N@@H+]1CCOC(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028781847	1	56	0.0	-59.15	408.39	6.03	-53.12
CC(C)[N@H+]1CCOC(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028781847	1	56	0.0	-59.22	408.37	6.03	-53.19
CC1CC[NH+](CC(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028781879	0	55	0.0	-69.58	406.10	5.37	-64.21
C[NH+]1CCC(OCC(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028781907	0	56	0.0	-86.40	426.86	5.16	-81.24
C[NH+](C)CC1(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028781921	0	52	0.0	-77.37	397.62	4.79	-72.58
CC1=[NH+]C=C2CCC(C(=O)NC3C4CCCCN(C(=O)C5=CC(=O)[N-]O5)C43)CN21	REAL300028781922	1	54	0.0	-69.66	403.22	6.99	-62.67
CC(C)[NH+]1CCC(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028781997	0	58	0.0	-70.07	422.05	5.74	-64.33
C[NH+]1CCC(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028782018	0	52	0.0	-72.74	387.73	4.56	-68.18
CC(C)[C@H](C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300028782036	0	54	0.0	-73.27	383.99	5.62	-67.65
CCC(C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+](CC)CC	REAL300028782067	0	57	0.0	-48.86	399.09	6.57	-42.29
CC[N@H+](C)CCC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028782129	0	51	0.0	-70.40	383.25	4.10	-66.30
CC[N@@H+](C)CCC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028782129	1	51	0.0	-70.50	383.25	4.10	-66.40
CC1CCC[N@@H+]1CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028782185	0	52	0.0	-74.10	382.45	6.12	-67.98
CC1CCC[N@H+]1CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028782185	1	52	0.0	-72.46	375.67	5.65	-66.81
CC1CC[N@H+](CC(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028782187	0	52	0.0	-76.27	382.94	6.09	-70.18
CC1CC[N@@H+](CC(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028782187	1	52	0.0	-50.36	381.94	6.14	-44.22
CC1=[NH+]C=C2CC(C(=O)NC3C4CCCCN(C(=O)C5=CC(=O)[N-]O5)C43)CCN21	REAL300028782189	1	54	0.0	-55.13	405.68	7.16	-47.97
CC1(C)CC[N@H+](CC(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028782192	0	55	0.0	-74.49	412.66	5.38	-69.11
CC1(C)CC[N@@H+](CC(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028782192	1	55	0.0	-68.59	408.14	5.14	-63.45
C[N@H+](CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)CC(C)(C)C	REAL300028782193	0	57	0.0	-76.36	405.18	6.69	-69.67
C[N@@H+](CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)CC(C)(C)C	REAL300028782193	1	57	0.0	-68.72	413.49	5.45	-63.27
CC[C@@H](C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300028782202	0	51	0.0	-72.89	368.00	5.32	-67.57
C[NH+]1CCC(O)(CC(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028782381	0	56	0.0	-77.76	408.55	4.57	-73.19
C[NH+](C)CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028782393	0	45	0.0	-70.60	343.23	2.91	-67.69
O=C(C[NH+]1CCC(CO)CC1)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028782397	1	56	0.0	-71.02	416.94	2.06	-68.96
O=C(C[NH+]1CCCCCC1)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028782399	0	55	0.0	-52.26	387.82	6.44	-45.82
CN1C=C[N+](CC(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)=C1	REAL300028782403	0	47	0.0	-72.38	368.12	7.78	-64.60
C[N@@H+]1CCCC(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028782410	0	52	0.0	-50.66	363.00	6.24	-44.42
C[N@H+]1CCCC(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028782410	1	52	0.0	-75.31	382.62	5.54	-69.77
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CCC[N@@H+]1C1CC1	REAL300028782415	0	53	0.0	-74.32	390.19	5.87	-68.45
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CCC[N@H+]1C1CC1	REAL300028782415	1	53	0.0	-64.49	395.66	5.28	-59.21
CC(C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+]1CCC1	REAL300028782444	1	49	0.0	-73.58	377.09	4.18	-69.40
CCC(CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C[NH+](C)C	REAL300028782450	0	57	0.0	-71.41	414.07	5.42	-65.99
C[NH+](C)CC(C)(C)C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028782457	0	54	0.0	-65.27	390.08	4.60	-60.67
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C12CC(C1)C[N@@H+]2C1CC1	REAL300028782475	0	54	0.0	-65.03	400.08	5.43	-59.60
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C12CC(C1)C[N@H+]2C1CC1	REAL300028782475	1	54	0.0	-72.00	393.85	6.91	-65.09
O=C(C[NH+]1CCC(O)CC1)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028782486	1	53	0.0	-72.68	395.96	1.41	-71.27
C[N@H+](CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CC1	REAL300028782487	0	49	0.0	-71.85	376.18	4.48	-67.37
C[N@@H+](CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CC1	REAL300028782487	1	49	0.0	-67.11	372.55	4.30	-62.81
CC(C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)N1CC[NH+](C)CC1	REAL300028782488	1	57	0.0	-73.35	408.53	4.12	-69.23
C[NH+]1CC(CC(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028782507	0	49	0.0	-55.70	368.19	5.21	-50.49
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CC[N@@H+]1C1CCCC1	REAL300028782511	0	56	0.0	-76.34	412.41	7.21	-69.13
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CC[N@H+]1C1CCCC1	REAL300028782511	1	56	0.0	-68.10	409.43	5.36	-62.74
CC(C)(C)[N@@H+]1CCC1C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028782519	0	55	0.0	-71.48	382.00	5.32	-66.16
CC(C)(C)[N@H+]1CCC1C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028782519	1	55	0.0	-65.81	404.80	4.65	-61.16
C[C@@H](C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300028782530	0	48	0.0	-72.82	365.44	3.58	-69.24
CCC1CCC[N@H+](CC(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028782572	0	58	0.0	-75.64	427.70	6.21	-69.43
CCC1CCC[N@@H+](CC(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028782572	1	58	0.0	-77.68	418.39	7.47	-70.21
C[NH+](C)CC1=CC=C(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)N1	REAL300028782580	0	53	0.0	-84.49	404.15	5.74	-78.75
[NH2+]=C1SC=CN1CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028782625	0	45	0.0	-51.53	363.82	4.57	-46.96
C[N@H+](CCO)CCC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028782635	0	52	0.0	-70.82	393.60	0.89	-69.93
C[N@@H+](CCO)CCC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028782635	1	52	0.0	-56.66	387.08	2.49	-54.17
C[C@@H](C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300028782636	0	48	0.0	-72.82	365.44	3.58	-69.24
C[N@@H+]1CCCC[C@@H]1C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028782640	0	52	0.0	-68.62	376.40	4.35	-64.27
C[N@H+]1CCCC[C@@H]1C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028782640	1	52	0.0	-53.74	375.12	6.00	-47.74
CC1CN2CC[N@@H+]1CC2C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028782649	0	55	0.0	-79.08	388.00	3.22	-75.86
CC1CN2CC[N@H+]1CC2C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028782649	1	55	0.0	-76.90	389.63	2.98	-73.92
O=C(CC1=CC2=C[NH+]=CN2C=C1)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028782695	0	50	0.0	-69.65	397.56	7.07	-62.58
C[N@H+](CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CCSC1	REAL300028782720	0	53	0.0	-75.72	402.64	5.12	-70.60
C[N@@H+](CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CCSC1	REAL300028782720	1	53	0.0	-58.38	395.99	6.75	-51.63
O=C(C[NH+]1CCC1)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028782721	1	46	0.0	-76.01	356.83	3.51	-72.50
C[NH+](C)CC1=CC(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)=CC=N1	REAL300028782751	1	54	0.0	-72.42	411.90	5.56	-66.86
C[N@@H+]1CCC(=CC(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028782753	0	50	0.0	-78.21	375.71	5.81	-72.40
C[N@H+]1CCC(=CC(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028782753	1	50	0.0	-73.39	381.06	4.41	-68.98
C[NH+](C)CCOCC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028782787	0	52	0.0	-69.03	399.07	3.96	-65.07
CCCCC[N@H+](C)CCC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028782793	0	60	0.0	-56.62	441.31	8.01	-48.61
CCCCC[N@@H+](C)CCC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028782793	1	60	0.0	-72.17	447.75	6.42	-65.75
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)O1	REAL300028782802	0	56	0.0	-61.27	415.28	6.35	-54.92
C=CCC(C)(C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300028782809	0	55	0.0	-49.79	390.01	6.54	-43.25
C[S+](C)CCC(O)C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028782814	0	51	0.0	-42.44	397.22	4.00	-38.44
C[N@@H+]1CC(O)CC1(C)C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028782841	0	53	0.0	-77.81	380.97	2.07	-75.74
CN1CC[N@H+](C)CC(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028782853	0	57	0.0	-67.59	415.59	3.08	-64.51
CN1CC[N@@H+](C)CC(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028782853	1	57	0.0	-55.71	400.30	4.42	-51.29
CC(C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)[N@@H+]1CCCC(O)C1	REAL300028782854	0	56	0.0	-52.53	402.66	3.59	-48.94
CC(C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)[N@H+]1CCCC(O)C1	REAL300028782854	1	56	0.0	-67.41	412.10	2.04	-65.37
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1C[NH+](C2CCOC2)C1	REAL300028782857	0	54	0.0	-58.64	403.36	4.77	-53.87
O=C(C[NH+]1CCC(CO)CC1)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028782864	1	56	0.0	-71.02	416.94	2.06	-68.96
C[N@@H+]1CCCC(O)(CC(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028782873	0	56	0.0	-74.73	404.65	4.77	-69.96
C[N@H+]1CCCC(O)(CC(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028782873	1	56	0.0	-68.85	406.94	4.60	-64.25
CC1C[NH+](CC(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028782876	1	49	0.0	-77.46	367.66	5.48	-71.98
C[N@H+](CCO)CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028782903	1	49	0.0	-69.62	371.23	0.32	-69.30
C[N@@H+](CCO)CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028782903	1	49	0.0	-52.44	365.31	1.85	-50.59
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1C[N@@H+]2CCN1CCC2	REAL300028782926	0	55	0.0	-75.25	391.27	2.20	-73.05
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1C[N@H+]2CCN1CCC2	REAL300028782926	1	55	0.0	-83.39	380.89	4.00	-79.39
CC[N@@H+]1CCCC(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028782932	0	55	0.0	-56.03	394.09	6.77	-49.26
CC[N@H+]1CCCC(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028782932	1	55	0.0	-74.40	397.95	6.51	-67.89
CC(CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C[NH+](C)C	REAL300028782934	0	54	0.0	-71.38	400.42	4.91	-66.47
CC[N@H+](C)CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028782947	0	48	0.0	-69.32	360.88	3.55	-65.77
CC[N@@H+](C)CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028782947	1	48	0.0	-76.10	354.72	4.95	-71.15
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C12CCC[N@@H+]1CCCC2	REAL300028782975	0	56	0.0	-66.82	380.58	7.86	-58.96
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C12CCC[N@H+]1CCCC2	REAL300028782975	1	56	0.0	-52.37	389.58	7.12	-45.25
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C12CCC[N@@H+]1CC=CC2	REAL300028782982	0	54	0.0	-45.21	367.83	6.96	-38.25
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C12CCC[N@H+]1CC=CC2	REAL300028782982	1	54	0.0	-51.84	381.97	6.91	-44.93
CC[N@H+](CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CC1	REAL300028783003	0	52	0.0	-66.33	392.32	4.95	-61.38
CC[N@@H+](CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CC1	REAL300028783003	1	52	0.0	-49.84	382.91	6.41	-43.43
CC[NH+](CC)CCC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783021	0	54	0.0	-69.94	400.46	4.80	-65.14
C[NH+]1CCC(=CC(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028783033	0	53	0.0	-76.67	400.58	5.38	-71.29
CC1(O)CC[N@H+](CC(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028783074	0	53	0.0	-75.98	392.67	2.76	-73.22
CC1(O)CC[N@@H+](CC(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028783074	1	53	0.0	-49.95	393.13	2.80	-47.15
C[NH+](C)CC=CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783081	0	49	0.0	-73.78	379.20	4.13	-69.65
CC(OCC[NH+](C)C)C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783103	0	55	0.0	-61.33	408.73	6.18	-55.15
C[NH+](C)CCOCCC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783112	0	55	0.0	-70.05	420.06	3.70	-66.35
COCC[N@H+](C)CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783113	1	52	0.0	-53.02	387.56	4.25	-48.77
COCC[N@@H+](C)CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783113	1	52	0.0	-69.71	393.49	2.72	-66.99
C[NH+](C)C1(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)CCCC1	REAL300028783149	0	55	0.0	-86.56	398.85	5.22	-81.34
CC(CCC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300028783152	0	54	0.0	-70.11	400.62	4.64	-65.47
CC[N@@H+]1CCC1C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783161	1	49	0.0	-75.93	378.34	4.05	-71.88
CC[N@H+]1CCC1C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783161	1	49	0.0	-74.33	361.16	4.83	-69.50
CC(C)[N@@H+]1CCCC(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028783171	0	58	0.0	-68.27	410.24	6.88	-61.39
CC(C)[N@H+]1CCCC(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028783171	1	58	0.0	-52.96	409.36	7.51	-45.45
O=C(C[N@H+]1CCCC1CO)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783184	0	53	0.0	-76.56	387.47	2.44	-74.12
O=C(C[N@@H+]1CCCC1CO)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783184	1	53	0.0	-68.59	392.90	0.90	-67.69
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CC2CCCC[N@@H+]2C1	REAL300028783206	0	56	0.0	-73.99	405.67	6.57	-67.42
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CC2CCCC[N@H+]2C1	REAL300028783206	1	56	0.0	-76.09	404.91	7.04	-69.05
C[NH+]1CCC(C)(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028783212	0	55	0.0	-62.49	389.60	6.49	-56.00
C[NH+](C)CC1=CNC(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)=C1	REAL300028783218	0	53	0.0	-79.10	403.96	5.64	-73.46
CC(C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+]1CCC(O)CC1	REAL300028783234	1	56	0.0	-68.87	413.19	1.87	-67.00
C=CCC(C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300028783242	0	52	0.0	-55.49	374.85	5.86	-49.63
C[N@@H+]1CC(C)(C)CC1C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783255	0	55	0.0	-70.46	403.84	6.01	-64.45
C[N@H+]1CC(C)(C)CC1C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783255	1	55	0.0	-67.20	408.85	5.12	-62.08
C[NH+](C)CCCCCC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783259	0	57	0.0	-71.27	430.10	5.84	-65.43
O=C(C[NH+]1CC2CC2C1)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783267	0	50	0.0	-76.31	372.22	6.15	-70.16
CC1C[N@@H+]2CCN1C(C(=O)NC1C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C31)C2	REAL300028783294	0	55	0.0	-74.06	380.74	3.26	-70.80
CC1C[N@H+]2CCN1C(C(=O)NC1C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C31)C2	REAL300028783294	1	55	0.0	-74.55	392.59	2.71	-71.84
CCCC(C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300028783295	0	54	0.0	-55.40	385.82	6.13	-49.27
C[NH+](C)C(C)(C)C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783299	0	51	0.0	-66.98	370.70	4.06	-62.92
C[N@@H+]1CCCCC1C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783341	0	52	0.0	-67.02	385.04	4.51	-62.51
C[N@H+]1CCCCC1C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783341	1	52	0.0	-69.83	379.37	5.48	-64.35
C[N@H+]1CC=C(CC(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028783381	0	53	0.0	-70.20	402.41	5.23	-64.97
C[N@@H+]1CC=C(CC(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028783381	1	53	0.0	-61.57	395.85	6.82	-54.75
O=C(CC1([NH+]2CCCC2)CC1)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783390	0	56	0.0	-73.14	402.60	7.06	-66.08
C[NH+](C)CC1=CC=C(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)O1	REAL300028783439	1	52	0.0	-81.23	402.16	6.12	-75.11
C[NH+](C)CC1=CC=C(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C=N1	REAL300028783444	0	54	0.0	-78.48	411.42	6.04	-72.44
O=C(C=CC[NH+]1CCCC1)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783456	0	53	0.0	-58.05	399.05	6.82	-51.23
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CC[NH+](C2CC2)CC1	REAL300028783480	0	56	0.0	-77.53	410.74	7.34	-70.19
C[NH+](C)C1(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028783501	0	49	0.0	-54.34	359.35	6.11	-48.23
O=C(CC[NH+]1CCCC1)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783503	0	52	0.0	-54.02	385.07	6.12	-47.90
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1C[NH+]2CCN1CC2	REAL300028783541	0	52	0.0	-75.60	379.49	1.41	-74.19
C[N@@H+]1CC2CC1(C(=O)NC1C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C31)C2	REAL300028783551	0	50	0.0	-66.72	374.24	4.05	-62.67
C[N@H+]1CC2CC1(C(=O)NC1C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C31)C2	REAL300028783551	1	50	0.0	-75.69	363.95	5.14	-70.55
O=C(C[N@@H+]1CC2CCC1C2)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783565	0	53	0.0	-74.10	383.41	6.38	-67.72
O=C(C[N@H+]1CC2CCC1C2)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783565	1	53	0.0	-73.71	382.31	6.31	-67.40
O=C(C=C1C[NH+]2CCC1CC2)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783606	0	54	0.0	-60.90	392.88	6.79	-54.11
O=C(C[N@@H+]1CC2C=CC1C2)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783616	1	51	0.0	-48.82	375.80	6.34	-42.48
O=C(C[N@H+]1CC2C=CC1C2)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783616	1	51	0.0	-67.65	382.68	4.89	-62.76
CC[NH+]1CCN(CC(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028783648	0	57	0.0	-73.54	414.34	4.50	-69.04
CC(C[NH+](C)C)C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783668	0	51	0.0	-57.37	370.10	5.78	-51.59
C[N@@H+]1CCCCC1CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783746	0	55	0.0	-68.78	388.95	6.40	-62.38
C[N@H+]1CCCCC1CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783746	1	55	0.0	-70.27	389.19	6.39	-63.88
CC1=C2C=C(C(=O)NC3C4CCCCN(C(=O)C5=CC(=O)[N-]O5)C43)C=CN2C=[NH+]1	REAL300028783762	1	50	0.0	-78.00	389.23	8.35	-69.65
CC(C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+]1CC(C)C1	REAL300028783763	1	52	0.0	-73.32	385.52	5.95	-67.37
CC1CC[N@@H+]1CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783766	1	49	0.0	-73.24	363.80	4.86	-68.38
CC1CC[N@H+]1CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783766	1	49	0.0	-75.05	368.37	5.36	-69.69
C[NH+](C)CC(O)CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783771	0	52	0.0	-74.27	395.84	1.94	-72.33
CC1C[N@H+](C)CC(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)O1	REAL300028783799	1	53	0.0	-73.45	395.23	4.09	-69.36
CC1C[N@@H+](C)CC(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)O1	REAL300028783799	1	53	0.0	-87.70	396.41	4.94	-82.76
O=C(CC[NH+]1CCC(O)CC1)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783808	0	56	0.0	-80.52	422.00	2.16	-78.36
CCC[N@@H+]1CCCCC1C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783810	0	58	0.0	-47.44	417.72	7.56	-39.88
CCC[N@H+]1CCCCC1C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783810	1	58	0.0	-72.35	408.41	6.72	-65.63
C[NH+](C)[C@H]1C[C@H](C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028783889	0	52	0.0	-74.20	387.60	5.60	-68.60
CC(CC[NH+](C)C)C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783897	0	54	0.0	-60.76	391.74	6.40	-54.36
C[N@H+](CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)[C@@H]1CCC[C@H]1O	REAL300028783918	0	56	0.0	-72.17	407.29	3.64	-68.53
C[N@@H+](CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)[C@@H]1CCC[C@H]1O	REAL300028783918	1	56	0.0	-73.21	408.71	3.32	-69.89
C#CC[N@H+]1CCCCC1C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783927	1	54	0.0	-66.50	410.55	5.70	-60.80
C#CC[N@@H+]1CCCCC1C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783927	1	54	0.0	-70.86	414.81	5.94	-64.92
C[NH+]1CCN(CC(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028783930	1	54	0.0	-74.67	396.60	3.83	-70.84
CC[NH+]1CCN(CC(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028783939	0	57	0.0	-73.54	414.34	4.50	-69.04
NC(=[NH2+])SCC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783965	0	43	0.0	-70.32	351.76	-0.22	-70.54
CC[N@@H+]1CCOCC1CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028784002	0	56	0.0	-82.66	415.28	3.53	-79.13
C[NH+](C)C1CCC(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028784018	0	58	0.0	-58.30	410.53	7.31	-50.99
C[NH+](C)CCC1(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028784019	0	55	0.0	-72.76	418.40	5.43	-67.33
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028784021	0	58	0.0	-74.84	419.73	5.84	-69.00
C[N@@H+]1CC=CCC1CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028784022	0	53	0.0	-63.68	389.40	4.90	-58.78
C[N@H+]1CC=CCC1CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028784022	1	53	0.0	-63.68	389.40	4.90	-58.78
C[C@@H](OCC[NH+](C)C)C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028784045	0	55	0.0	-72.65	413.16	6.05	-66.60
C[NH+]1C2CCC1CC(C(=O)NC1C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C31)C2	REAL300028784073	0	56	0.0	-55.78	379.98	6.91	-48.87
CC(C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)[NH+]1CCSCC1	REAL300028784183	1	53	0.0	-50.20	392.15	6.22	-43.98
CCC1C[NH+](CC(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028784185	1	52	0.0	-78.06	389.91	6.16	-71.90
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1([NH+]2CCCC2)CCC1	REAL300028784187	0	56	0.0	-71.87	388.81	6.33	-65.54
C[N@H+]1CCC[C@H]1C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028784196	1	49	0.0	-75.31	356.48	4.78	-70.53
O=C(CC[N@@H+]1CCC(F)C1)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028784203	1	52	0.0	-81.76	401.80	4.95	-76.81
COC1C[N@@H+](C)C(C)(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028784211	1	56	0.0	-76.87	403.75	4.70	-72.17
O=C(CC[NH+]1CCCCCC1)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028784220	0	58	0.0	-54.15	410.76	7.01	-47.14
O=C(C[NH+]1CCCCC1)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028784222	0	52	0.0	-69.33	384.95	4.78	-64.55
CC1C(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC[N@@H+]1C	REAL300028784232	0	52	0.0	-75.32	383.38	5.69	-69.63
CC1C(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)CC[N@H+]1C	REAL300028784232	1	52	0.0	-71.37	385.78	4.14	-67.23
C[N@@H+]1CCCCC1CCC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028784234	0	58	0.0	-68.44	424.60	5.85	-62.59
C[N@H+]1CCCCC1CCC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028784234	1	58	0.0	-79.04	411.37	7.08	-71.96
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CC[N@@H+]2CCOCC12	REAL300028784264	0	54	0.0	-79.85	396.45	4.57	-75.28
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CC[N@H+]2CCOCC12	REAL300028784264	1	54	0.0	-83.39	405.78	3.37	-80.02
CC1=[NH+]C=C2C=CC(C(=O)NC3C4CCCCN(C(=O)C5=CC(=O)[N-]O5)C43)=CN21	REAL300028784269	0	50	0.0	-71.30	388.50	7.56	-63.74
CN1CCOCC1CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028784286	0	53	0.0	-48.25	379.82	4.17	-44.08
C[N@@H+]1CCOCC1CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028784286	1	53	0.0	-72.90	380.01	3.94	-68.96
C[N@H+]1CCOCC1CC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028784286	1	53	0.0	-48.25	379.82	4.17	-44.08
CC1=C(C)[NH+]=C(CCC(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)N1	REAL300028784294	1	53	0.0	-71.47	408.53	5.51	-65.96
C[N@H+]1CCCC1C(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028784466	1	49	0.0	-51.61	364.83	3.99	-47.62
CC1=[NH+]C=CN1CCCC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028784652	1	53	0.0	-65.57	409.77	7.35	-58.22
C[NH+](C)CC1=CC=C(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C=C1	REAL300028784657	0	55	0.0	-76.64	421.16	6.04	-70.60
O=C(CC[NH+]1CCOCC1)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028784658	1	53	0.0	-71.75	392.97	4.39	-67.36
O=C(NC1C2CCCCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)C21)C1=CC(=O)[N-]O1	REAL300028784684	1	47	0.0	-72.68	373.79	7.89	-64.79
C[NH+](C)C1CCCC(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028784736	0	58	0.0	-66.65	402.08	6.31	-60.34
C[N@@H+]1CCC(CC(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028784739	0	52	0.0	-69.77	386.46	6.38	-63.39
C[N@H+]1CCC(CC(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028784739	1	52	0.0	-70.00	386.27	5.65	-64.35
CCC(C(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300028784754	0	51	0.0	-64.79	365.55	5.26	-59.53
C[NH+](C)CCCCC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028784813	0	54	0.0	-69.96	404.10	6.74	-63.22
CCC[N@H+](C)CCC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028784833	0	54	0.0	-73.51	406.39	4.99	-68.52
CCC[N@@H+](C)CCC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028784833	1	54	0.0	-73.40	406.34	4.97	-68.43
CCC[N@H+](C)CC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028784837	0	51	0.0	-70.70	383.98	4.37	-66.33
CCC[N@@H+](C)CC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028784837	1	51	0.0	-70.83	383.98	4.36	-66.47
O=C(NC1C2CCCCN(C(=O)C34CC[N@H+](C3)CCC4)C21)C1=CC(=O)[N-]O1	REAL300028784855	0	53	0.0	-85.38	377.72	3.87	-81.51
O=C(NC1C2CCCCN(C(=O)C34CC[N@@H+](C3)CCC4)C21)C1=CC(=O)[N-]O1	REAL300028784855	1	53	0.0	-68.05	367.74	5.48	-62.57
CCCCCC[N@H+](C)CC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028784884	0	60	0.0	-71.99	448.47	6.71	-65.28
CCCCCC[N@@H+](C)CC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028784884	1	60	0.0	-72.17	448.48	6.70	-65.47
CC1CC[NH+](CC(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028784919	0	55	0.0	-71.08	407.54	5.41	-65.67
C[NH+]1CCC(OCC(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028784941	0	56	0.0	-72.76	419.19	6.59	-66.17
O=C(NC1C2CCCCN(C(=O)C3CC4CCCC[N@@H+]4C3)C21)C1=CC(=O)[N-]O1	REAL300028784979	0	56	0.0	-64.55	403.83	6.66	-57.89
O=C(NC1C2CCCCN(C(=O)C3CC4CCCC[N@H+]4C3)C21)C1=CC(=O)[N-]O1	REAL300028784979	1	56	0.0	-62.17	404.28	7.42	-54.75
C[NH+](C)CC1(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028784989	0	52	0.0	-69.15	392.22	4.65	-64.50
CC1=[NH+]C=C2CCC(C(=O)N3CCCCC4C(NC(=O)C5=CC(=O)[N-]O5)C43)CN21	REAL300028784990	1	54	0.0	-66.34	405.33	6.91	-59.43
CC(C)[NH+]1CCC(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028785000	0	58	0.0	-70.09	421.27	5.50	-64.59
CC[N@H+](C)CCC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028785022	0	51	0.0	-65.96	380.01	6.00	-59.96
CC[N@@H+](C)CCC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028785022	1	51	0.0	-72.63	384.84	4.22	-68.41
O=C(NC1C2CCCCN(C(=O)C3C[NH+]4CCC3CC4)C21)C1=CC(=O)[N-]O1	REAL300028785052	0	53	0.0	-71.75	384.27	4.57	-67.18
C[NH+]1CCC(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028785120	0	52	0.0	-74.31	389.03	4.53	-69.78
CC[NH+](CC)CC(F)C(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028785208	0	54	0.0	-72.38	398.21	6.15	-66.23
CC(C)C[N@@H+]1CCC(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028785235	0	58	0.0	-62.80	415.31	7.34	-55.46
CC(C)C[N@H+]1CCC(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028785235	1	58	0.0	-69.31	416.77	6.62	-62.69
CCC(C(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+](CC)CC	REAL300028785260	0	57	0.0	-63.59	401.37	6.61	-56.98
CC1CCC[N@@H+]1CC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028785276	0	52	0.0	-64.52	385.43	5.88	-58.64
CC1CCC[N@H+]1CC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028785276	1	52	0.0	-61.26	374.94	5.98	-55.28
CC(C(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+]1CCCCCC1	REAL300028785337	0	58	0.0	-65.97	412.40	5.37	-60.60
CC(C)[N@@H+]1CCCC1C(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028785356	0	55	0.0	-49.41	403.39	5.03	-44.38
CC(C)[N@H+]1CCCC1C(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028785356	1	55	0.0	-63.65	379.72	5.44	-58.21
CC(C)[N@@H+]1CCCC1CC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028785361	0	58	0.0	-59.88	409.26	6.51	-53.37
CC(C)[N@H+]1CCCC1CC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028785361	1	58	0.0	-66.22	419.17	6.77	-59.45
CC1CC[N@H+](CC(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028785391	0	52	0.0	-64.73	382.66	6.24	-58.49
CC1CC[N@@H+](CC(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028785391	1	52	0.0	-70.75	395.11	4.96	-65.79
CC1=[NH+]C=C2CC(C(=O)N3CCCCC4C(NC(=O)C5=CC(=O)[N-]O5)C43)CCN21	REAL300028785392	1	54	0.0	-64.57	400.13	6.40	-58.17
CC1(C)CC[N@H+](CC(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028785395	0	55	0.0	-65.40	401.70	6.81	-58.59
CC1(C)CC[N@@H+](CC(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028785395	1	55	0.0	-71.01	415.26	5.49	-65.52
C[N@H+](CC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)CC(C)(C)C	REAL300028785396	0	57	0.0	-67.06	407.56	6.68	-60.38
C[N@@H+](CC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)CC(C)(C)C	REAL300028785396	1	57	0.0	-70.34	414.88	5.55	-64.79
CC[C@@H](C(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300028785403	0	51	0.0	-66.11	371.42	3.87	-62.24
CN(CCC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)C1=CC=[NH+]C=C1	REAL300028785518	0	54	0.0	-63.09	412.19	6.02	-57.07
CC1=[NH+]C=CN1CC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028785596	1	47	0.0	-65.48	374.18	4.56	-60.92
CC(C[NH+]1CCOCC1)C(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028785598	1	56	0.0	-73.68	409.93	4.98	-68.70
O=C(CCC[NH+]1CCCCC1)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028785612	0	58	0.0	-68.78	424.89	7.18	-61.60
C[NH+](C)CC1=CC(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=NO1	REAL300028785625	1	51	0.0	-67.10	395.55	6.00	-61.10
CC1=C(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C=CC2=C[NH+]=CN21	REAL300028785626	0	50	0.0	-73.94	391.82	8.25	-65.69
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028785659	1	53	0.0	-64.39	410.51	5.70	-58.69
O=C(NC1C2CCCCN(C(=O)C3CCCC4CCC[N@@H+]43)C21)C1=CC(=O)[N-]O1	REAL300028785692	0	56	0.0	-63.86	408.35	5.59	-58.27
O=C(NC1C2CCCCN(C(=O)C3CCCC4CCC[N@H+]43)C21)C1=CC(=O)[N-]O1	REAL300028785692	1	56	0.0	-70.05	391.51	6.13	-63.92
CC[N@@H+]1CCOC(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028785711	1	53	0.0	-62.03	384.01	5.15	-56.88
CC[N@H+]1CCOC(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028785711	1	53	0.0	-68.79	383.22	5.08	-63.71
O=C(NC1C2CCCCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)C21)C1=CC(=O)[N-]O1	REAL300028785751	0	47	0.0	-69.80	372.06	6.01	-63.79
CC1=C[NH+]=CN1CC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028785756	1	47	0.0	-69.49	373.46	5.25	-64.24
C[C@@H]1[C@H](C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC[N@@H+]1C	REAL300028785770	0	52	0.0	-74.99	385.74	4.40	-70.59
C[C@@H]1[C@H](C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC[N@H+]1C	REAL300028785770	1	52	0.0	-72.57	385.04	4.11	-68.46
CC[C@@H]1[C@@H](C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC[N@@H+]1C	REAL300028785774	0	55	0.0	-70.93	399.48	4.45	-66.48
CC[C@@H]1[C@@H](C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC[N@H+]1C	REAL300028785774	1	55	0.0	-72.62	392.71	6.12	-66.50
CC1CCC(C)[NH+]1CC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028785784	0	55	0.0	-63.48	397.15	6.12	-57.36
O=C(CCC[NH+]1CCCC1)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028785790	0	55	0.0	-68.84	408.57	7.13	-61.71
C[NH+](C)CC1=CC=CC(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=C1	REAL300028785791	0	55	0.0	-71.23	420.02	6.03	-65.20
C#CC[NH+]1CCC(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028785796	0	54	0.0	-71.76	398.87	7.16	-64.60
O=C(CC[NH+]1CCCCC1)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028785797	0	55	0.0	-68.93	403.39	6.37	-62.56
O=C(CN1C=[NH+]C2=C1CCCC2)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028785808	1	54	0.0	-57.76	402.51	8.98	-48.78
C[NH+](C)C1(CC(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CCCC1	REAL300028785835	0	58	0.0	-72.94	391.64	6.94	-66.00
C[N@H+](CC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)C1CCC1	REAL300028785969	0	52	0.0	-68.15	390.87	4.93	-63.22
C[N@@H+](CC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)C1CCC1	REAL300028785969	1	52	0.0	-65.00	385.21	6.26	-58.74
CC(C(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+]1C(C)CCC1C	REAL300028785987	0	58	0.0	-64.14	404.58	5.17	-58.97
O=C(CCCC[NH+]1CCCC1)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028786000	0	58	0.0	-68.09	429.03	7.68	-60.41
C[N@H+](CC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)CC1=CC=CC=C1	REAL300028786002	1	55	0.0	-75.09	421.41	6.55	-68.54
C[N@@H+](CC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)CC1=CC=CC=C1	REAL300028786002	1	55	0.0	-70.29	416.62	8.32	-61.97
C[NH+]1CCC(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028786013	0	52	0.0	-74.31	389.03	4.53	-69.78
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028786048	0	49	0.0	-71.57	370.05	3.74	-67.83
C[N@H+]1CCC[C@@H]1C(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028786048	1	49	0.0	-66.83	372.43	4.00	-62.83
C[N@@H+]1CCCC1CCC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028786074	0	55	0.0	-73.33	408.30	5.37	-67.96
C[N@H+]1CCCC1CCC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028786074	1	55	0.0	-67.99	400.17	6.45	-61.54
O=C(NC1C2CCCCN(C(=O)C3CCC4CCCC[N@@H+]43)C21)C1=CC(=O)[N-]O1	REAL300028786088	0	56	0.0	-63.87	403.31	7.55	-56.32
O=C(NC1C2CCCCN(C(=O)C3CCC4CCCC[N@H+]43)C21)C1=CC(=O)[N-]O1	REAL300028786088	1	56	0.0	-63.89	398.65	6.39	-57.50
CCC[N@@H+]1CCCC(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028786148	0	58	0.0	-52.80	421.58	5.87	-46.93
CCC[N@H+]1CCCC(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028786148	1	58	0.0	-65.19	414.38	7.12	-58.07
CC(C)[N@@H+]1CCOC(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028786161	1	56	0.0	-76.50	407.68	5.80	-70.70
CC(C)[N@H+]1CCOC(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028786161	1	56	0.0	-75.64	413.12	4.25	-71.39
O=C(C[NH+]1CCC(CO)CC1)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028786218	0	56	0.0	-72.23	418.37	2.12	-70.11
CC1C(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC[N@@H+]1C	REAL300028786261	0	52	0.0	-71.51	381.84	4.19	-67.32
CC1C(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC[N@H+]1C	REAL300028786261	1	52	0.0	-70.89	384.57	4.34	-66.55
C[N@@H+]1CCCCC1CCC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028786263	0	58	0.0	-71.10	430.74	6.16	-64.94
C[N@H+]1CCCCC1CCC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028786263	1	58	0.0	-70.04	426.28	5.94	-64.10
NC1=[NH+]C2=C(C=C1C(=O)N1CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C31)CCC2	REAL300028786289	1	52	0.0	-55.66	390.84	5.66	-50.00
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028786338	0	55	0.0	-65.28	379.31	6.48	-58.80
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028786338	1	55	0.0	-63.29	380.36	5.70	-57.59
C[C@@H](C(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300028786356	0	48	0.0	-68.80	361.56	3.29	-65.51
C[NH+](C)CC1=CC(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=CC=N1	REAL300028786370	1	54	0.0	-70.43	409.47	5.54	-64.89
C=CCC(C)(C(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300028786374	0	55	0.0	-68.59	378.64	5.53	-63.06
O=C(CC[NH+]1CCCC1)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028786399	0	52	0.0	-69.38	387.13	6.17	-63.21
C[N@H+](CCO)CC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028786408	1	49	0.0	-71.59	372.83	0.39	-71.20
C[N@@H+](CCO)CC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028786408	1	49	0.0	-70.66	372.61	0.40	-70.26
O=C(NC1C2CCCCN(C(=O)C3C[N@@H+]4CCN3CCC4)C21)C1=CC(=O)[N-]O1	REAL300028786441	0	55	0.0	-74.30	389.68	2.13	-72.17
O=C(NC1C2CCCCN(C(=O)C3C[N@H+]4CCN3CCC4)C21)C1=CC(=O)[N-]O1	REAL300028786441	1	55	0.0	-60.23	385.60	4.18	-56.05
CC(C(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+]1CCSCC1	REAL300028786460	1	53	0.0	-72.04	391.04	6.21	-65.83
C[N@H+]1CC=C(CC(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028786493	0	53	0.0	-67.63	398.19	6.71	-60.92
C[N@@H+]1CC=C(CC(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028786493	1	53	0.0	-66.35	397.51	6.72	-59.63
C[S+](C)CCC(O)C(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028786505	0	51	0.0	-66.07	398.89	3.80	-62.27
CN1CC[N@H+](C)CC(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028786534	0	57	0.0	-69.77	422.78	3.23	-66.54
CN1CC[N@@H+](C)CC(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028786534	1	57	0.0	-68.71	417.17	2.94	-65.77
CC(C(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[N@@H+]1CCCC(O)C1	REAL300028786535	0	56	0.0	-66.26	405.80	3.02	-63.24
CC(C(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[N@H+]1CCCC(O)C1	REAL300028786535	1	56	0.0	-63.93	407.50	3.40	-60.53
C[N@@H+]1CCCC(O)(CC(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028786566	0	56	0.0	-65.75	399.54	4.52	-61.23
C[N@H+]1CCCC(O)(CC(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028786566	1	56	0.0	-64.79	419.83	3.53	-61.26
CC1C[NH+](CC(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028786570	1	49	0.0	-71.08	374.83	4.12	-66.96
CC[N@@H+]1CCCC(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028786575	0	55	0.0	-52.00	405.23	4.96	-47.04
CC[N@H+]1CCCC(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028786575	1	55	0.0	-64.87	392.86	6.37	-58.50
NC1=[NH+]C=CC=C1CC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028786581	0	48	0.0	-64.93	373.22	4.11	-60.82
O=C(NC1C2CCCCN(C(=O)C3CCC[N@@H+]3C3CC3)C21)C1=CC(=O)[N-]O1	REAL300028786592	0	53	0.0	-72.35	402.03	5.21	-67.14
O=C(NC1C2CCCCN(C(=O)C3CCC[N@H+]3C3CC3)C21)C1=CC(=O)[N-]O1	REAL300028786592	1	53	0.0	-70.93	400.80	5.08	-65.85
O=C(C=CC[NH+]1CCCC1)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028786631	0	53	0.0	-74.87	401.50	6.87	-68.00
O=C(NC1C2CCCCN(C(=O)C3CC[NH+](C4CC4)CC3)C21)C1=CC(=O)[N-]O1	REAL300028786652	0	56	0.0	-71.13	415.42	5.81	-65.32
CC[N@H+](C)CC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028786688	0	48	0.0	-63.25	357.66	5.40	-57.85
O=C(CN1CC2C=CC1C2)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028786740	0	51	0.0	-66.75	388.49	5.07	-61.68
O=C(C[N@@H+]1CC2C=CC1C2)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028786740	1	51	0.0	-63.06	379.27	6.73	-56.33
O=C(C[N@H+]1CC2C=CC1C2)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028786740	1	51	0.0	-63.06	379.27	6.73	-56.33
CC1=CC=C(NCCC(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)N=C1	REAL300028786760	0	54	0.0	-66.82	423.58	4.39	-62.43
CC1=CC=C(NCCC(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)[NH+]=C1	REAL300028786760	1	54	0.0	-66.82	423.58	4.39	-62.43
CC(OCC[NH+](C)C)C(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028786866	0	55	0.0	-70.89	412.39	6.01	-64.88
C[NH+](C)CCOCCC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028786876	0	55	0.0	-67.52	415.56	5.40	-62.12
COCC[N@H+](C)CC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028786878	1	52	0.0	-70.38	394.86	2.80	-67.58
COCC[N@@H+](C)CC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028786878	1	52	0.0	-71.81	395.09	2.79	-69.02
O=C(NC1C2CCCCN(C(=O)C3C[NH+](C4CCOC4)C3)C21)C1=CC(=O)[N-]O1	REAL300028786879	0	54	0.0	-77.22	407.31	3.16	-74.06
CC(CCC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300028786884	0	54	0.0	-67.95	396.09	6.35	-61.60
C[NH+]1CCC(=CC(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028786901	0	53	0.0	-72.20	398.67	5.29	-66.91
CC[N@H+](CC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)C1CC1	REAL300028786908	0	52	0.0	-66.71	394.08	5.01	-61.70
CC[N@@H+](CC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)C1CC1	REAL300028786908	1	52	0.0	-65.90	381.24	5.82	-60.08
CC1C[N@@H+]2CCN1C(C(=O)N1CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C31)C2	REAL300028786918	0	55	0.0	-72.64	395.03	1.65	-70.99
CC1C[N@H+]2CCN1C(C(=O)N1CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C31)C2	REAL300028786918	1	55	0.0	-74.24	393.92	1.62	-72.62
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028786947	1	52	0.0	-69.75	410.16	3.71	-66.04
O=C(C[N@@H+]1CC2CCC1C2)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028786953	0	53	0.0	-67.24	389.15	4.90	-62.34
O=C(C[N@H+]1CC2CCC1C2)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028786953	1	53	0.0	-60.02	384.38	6.57	-53.45
CC(C[NH+](C)C)C(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028786972	0	51	0.0	-66.33	377.72	5.50	-60.83
C[C@H](C(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300028787006	0	48	0.0	-69.46	359.74	3.24	-66.22
CC[N@@H+]1CCC1C(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028787015	1	49	0.0	-64.17	363.74	5.05	-59.12
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C[NH+](C)CCOCC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028787839	0	52	0.0	-66.47	394.46	5.69	-60.78
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CCCCC[N@@H+](C)CCC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028787845	1	60	0.0	-67.57	444.51	8.29	-59.28
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[NH2+]=C1SC=CN1CC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028787873	0	45	0.0	-64.50	371.82	3.15	-61.35
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C[N@@H+]1CCCC(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028787975	0	52	0.0	-63.69	381.46	4.71	-58.98
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CC1=CC(N)=NC=C1C(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028788135	0	48	0.0	-68.79	376.84	2.28	-66.51
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CC1(O)CC[N@H+](CC(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028788172	0	53	0.0	-72.04	406.12	1.60	-70.44
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CC1=C2C=C(C(=O)N3CCCCC4C(NC(=O)C5=CC(=O)[N-]O5)C43)C=CN2C=[NH+]1	REAL300028788283	1	50	0.0	-69.90	403.26	6.99	-62.91
CC1CCN1CC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028788287	0	49	0.0	-68.95	375.48	4.04	-64.91
CC1CC[N@@H+]1CC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028788287	1	49	0.0	-69.14	376.05	4.02	-65.12
CC1CC[N@H+]1CC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028788287	1	49	0.0	-69.14	376.05	4.02	-65.12
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CC1(C)CN(CC(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028788310	0	52	0.0	-66.57	387.73	6.20	-60.37
CC1(C)C[NH+](CC(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300028788310	1	52	0.0	-66.57	387.73	6.20	-60.37
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CC1=C(C)[NH+]=C(CCC(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)N1	REAL300028788328	1	53	0.0	-66.15	414.98	4.29	-61.86
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C[N@H+](CC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)C1CCSC1	REAL300028788386	0	53	0.0	-75.11	404.00	5.21	-69.90
O=C(CN1CCC1)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028788388	0	46	0.0	-71.15	354.85	3.37	-67.78
O=C(C[NH+]1CCC1)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028788388	1	46	0.0	-71.15	354.85	3.37	-67.78
CC[NH+](CC)CCC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028788427	0	54	0.0	-69.02	396.69	6.52	-62.50
O=C(NC1C2CCCCN(C(=O)C3CC4COCC[N@@H+]4C3)C21)C1=CC(=O)[N-]O1	REAL300028788502	0	54	0.0	-54.14	396.85	3.23	-50.91
O=C(NC1C2CCCCN(C(=O)C3CC4COCC[N@H+]4C3)C21)C1=CC(=O)[N-]O1	REAL300028788502	1	54	0.0	-54.14	396.85	3.23	-50.91
CC(C(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)N1CCC1	REAL300028788515	0	49	0.0	-67.13	365.75	3.55	-63.58
CC(C(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+]1CCC1	REAL300028788515	1	49	0.0	-67.13	365.75	3.55	-63.58
CCC(CC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)C[NH+](C)C	REAL300028788522	0	57	0.0	-74.11	413.58	7.22	-66.89
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028788579	0	52	0.0	-56.67	367.52	5.90	-50.77
CC1CN2CC[N@@H+]1CC2C(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028788592	0	55	0.0	-58.93	380.58	3.24	-55.69
C[NH+](C)CC(O)CC(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028788612	0	52	0.0	-72.93	391.34	3.61	-69.32
C[NH+]1C2CCC1CC(C(=O)N1CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C31)C2	REAL300028788615	0	56	0.0	-66.52	383.88	6.28	-60.24
C=CCC(C(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300028788647	0	52	0.0	-64.77	378.93	5.78	-58.99
O=C(NC1C2CCCCN(C(=O)C3CC4CCCC[N@@H+]4C3)C21)C1=CC(=O)[N-]O1	REAL300028788654	0	56	0.0	-62.17	404.28	7.42	-54.75
O=C(NC1C2CCCCN(C(=O)C3CC4CCCC[N@H+]4C3)C21)C1=CC(=O)[N-]O1	REAL300028788654	1	56	0.0	-62.17	404.28	7.42	-54.75
C[NH+]1CCC(O)(CC(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300028788663	0	56	0.0	-72.13	415.38	3.32	-68.81
CC1=C2C=C(C(=O)NC3C4CCCCN(C(=O)C5=CC(=O)[N-]O5)C43)C=CN2C=N1	REAL300028788742	0	50	0.0	-78.00	389.23	8.35	-69.65
CC1=C2C=C(C(=O)NC3C4CCCCN(C(=O)C5=CC(=O)[N-]O5)C43)C=CN2C=[NH+]1	REAL300028788742	1	50	0.0	-78.00	389.23	8.35	-69.65
C[NH+](C)CCSCC(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028788751	0	52	0.0	-74.09	410.13	4.85	-69.24
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CC2COCC[N@@H+]2C1	REAL300028788759	0	54	0.0	-67.95	401.74	3.32	-64.63
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1CC2COCC[N@H+]2C1	REAL300028788759	1	54	0.0	-67.95	401.74	3.32	-64.63
CCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788769	0	48	0.0	-85.61	352.74	3.35	-82.26
COCCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788770	0	52	0.0	-60.39	380.72	2.15	-58.24
CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788771	0	45	0.0	-58.31	333.01	1.87	-56.44
C[N@@H+]1CCC(NC(=O)C2CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788772	0	49	0.0	-54.23	363.88	3.88	-50.35
C[N@@H+]1CCC(NC(=O)C2CCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788773	0	52	0.0	-62.23	356.22	4.68	-57.55
C[N@@H+]1CCC(NC(=O)C2CCCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788774	0	55	0.0	-78.27	387.27	4.88	-73.39
C[N@@H+]1CCC(NC(=O)C2CCOCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788775	0	56	0.0	-81.27	401.83	3.04	-78.23
C[N@@H+]1CCC(NC(=O)CC2CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788776	0	52	0.0	-80.02	380.61	4.44	-75.58
C[N@@H+]1CCC(NC(=O)C(C)(C)F)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788777	0	51	0.0	-83.44	378.42	4.18	-79.26
CN1CCC(NC(=O)C(C)(F)F)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788778	0	48	0.0	-78.85	364.59	3.54	-75.31
C[N@@H+]1CCC(NC(=O)C(C)(F)F)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788778	1	48	0.0	-76.15	354.21	3.25	-72.90
C[N@H+]1CCC(NC(=O)C(C)(F)F)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788778	1	48	0.0	-76.15	354.21	3.25	-72.90
COCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788779	0	49	0.0	-65.12	356.23	2.49	-62.63
C[N@@H+]1CCC(NC(=O)C2=CC=CC=N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788780	0	51	0.0	-76.47	369.98	4.81	-71.66
C[N@@H+]1CCC(NC(=O)C2=CC=NC=C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788781	0	51	0.0	-83.73	378.84	3.43	-80.30
CCCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788782	0	51	0.0	-59.15	368.54	3.84	-55.31
C[N@@H+]1CCC(NC(=O)C2=CC=CN=C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788783	0	51	0.0	-87.45	382.53	3.79	-83.66
C[N@@H+]1CCC(NC(=O)C2=CC=CO2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788784	0	49	0.0	-85.58	371.73	3.54	-82.04
CC(=O)NCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788785	0	52	0.0	-85.23	390.72	0.96	-84.27
C[N@@H+]1CCC(NC(=O)C2=CC=CC=C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788786	0	52	0.0	-82.38	383.39	5.18	-77.20
CC(C)CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788787	0	54	0.0	-61.17	381.74	4.48	-56.69
C[N@@H+]1CCC(NC(=O)C2CCCCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788788	0	58	0.0	-63.75	391.92	5.93	-57.82
C[N@@H+]1CCC(NC(=O)C2=CN=CC=N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788789	0	50	0.0	-85.77	379.53	1.96	-83.81
CC1=CC=CC=C1C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788790	0	55	0.0	-79.49	396.72	6.48	-73.01
C[N@@H+]1CCC(NC(=O)CC2CCCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788791	0	58	0.0	-87.51	416.27	5.89	-81.62
C[N@@H+]1CCC(NC(=O)C2=CC=CS2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788792	0	49	0.0	-56.18	380.96	4.01	-52.17
CC1CC1C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788793	0	52	0.0	-58.93	387.17	4.17	-54.76
CC1=CC=CC(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028788794	0	55	0.0	-90.59	408.96	6.23	-84.36
CCOCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788795	0	52	0.0	-62.30	381.59	3.39	-58.91
CC(C)=CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788796	0	52	0.0	-55.89	382.72	4.03	-51.86
C[N@@H+]1CCC(NC(=O)C2=COCCO2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788797	0	52	0.0	-84.11	364.38	2.95	-81.16
CC(=O)NC(C)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788798	0	55	0.0	-81.50	401.40	1.40	-80.10
CC1=CC=C(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300028788799	0	52	0.0	-79.22	379.34	5.70	-73.52
C[N@@H+]1CCC(NC(=O)C2CCCO2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788800	0	53	0.0	-67.76	367.78	3.63	-64.13
CSCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788801	0	49	0.0	-64.71	366.58	3.56	-61.15
CC1=CC(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=NO1	REAL300028788802	0	51	0.0	-81.24	388.19	3.64	-77.60
CSCCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788803	0	52	0.0	-60.09	391.78	4.32	-55.77
CC(C)CCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788804	0	57	0.0	-86.05	413.30	5.40	-80.65
C[N@@H+]1CCC(NC(=O)C2=CSC=C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788805	0	49	0.0	-79.92	352.25	4.01	-75.91
CC1=C(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C=CO1	REAL300028788806	0	52	0.0	-57.56	390.49	3.79	-53.77
C[N@@H+]1CCC(NC(=O)CC2C=CCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788807	0	56	0.0	-59.37	410.84	5.34	-54.03
C[N@@H+]1CCC(NC(=O)CN2C=NN=N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788808	0	50	0.0	-110.07	381.13	2.77	-107.30
CN1C=C(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C=N1	REAL300028788809	0	52	0.0	-86.67	393.00	3.32	-83.35
C[N@@H+]1CCC(NC(=O)C2CC=CCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788810	0	56	0.0	-84.98	409.30	4.83	-80.15
CC1=NOC(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028788811	0	51	0.0	-82.32	388.22	3.58	-78.74
C[N@@H+]1CCC(NC(=O)C2=CC=CN2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788812	0	50	0.0	-86.05	368.17	3.41	-82.64
CC(=O)CCCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788813	0	56	0.0	-88.12	416.49	5.19	-82.93
C[N@@H+]1CCC(NC(=O)C2=COC=C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788814	0	49	0.0	-93.41	370.95	3.53	-89.88
C[N@@H+]1CCC(NC(=O)CN2C=CC=N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788815	0	52	0.0	-61.67	393.48	3.52	-58.15
CC1=C(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)OC=C1	REAL300028788816	0	52	0.0	-78.03	375.35	5.56	-72.47
CCCCCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788817	0	57	0.0	-59.25	411.54	5.40	-53.85
C[N@@H+]1CCC(NC(=O)CC(C)(C)C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788818	0	57	0.0	-60.53	396.59	5.02	-55.51
CC1=CC=C(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C=N1	REAL300028788819	0	54	0.0	-87.38	404.15	4.40	-82.98
CN1C=CC=C1C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788820	0	53	0.0	-92.77	384.55	4.94	-87.83
CCCCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788821	0	54	0.0	-85.98	395.72	4.89	-81.09
CC1=CC=CC(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300028788822	0	54	0.0	-77.19	390.34	5.23	-71.96
CC(C)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788823	0	51	0.0	-61.34	363.06	3.80	-57.54
CCC(C)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788824	0	54	0.0	-58.94	392.94	4.05	-54.89
CC(C)SCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788825	0	55	0.0	-64.31	406.31	5.08	-59.23
CC(=O)N(C)CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788826	0	55	0.0	-68.10	401.37	3.19	-64.91
CCC(CC)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788827	0	57	0.0	-88.04	403.56	4.82	-83.22
CC(C)OCCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788828	0	58	0.0	-60.09	422.84	3.86	-56.23
C[N@@H+]1CCC(NC(=O)C2COCCO2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788829	0	54	0.0	-91.05	397.38	2.68	-88.37
C[N@@H+]1CCC(NC(=O)C2=CC=NN2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788830	0	49	0.0	-86.22	369.79	2.34	-83.88
CSC(C)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788831	0	52	0.0	-64.90	384.64	4.20	-60.70
CCOC(C)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788832	0	55	0.0	-61.98	400.57	4.13	-57.85
CCOCCCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788833	0	58	0.0	-61.66	424.07	3.88	-57.78
C[N@@H+]1CCC(NC(=O)COCC2CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788834	0	56	0.0	-91.71	418.59	5.16	-86.55
C[N@@H+]1CCC(NC(=O)CC2CCCO2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788835	0	56	0.0	-61.32	411.49	3.79	-57.53
C[N@@H+]1CCC(NC(=O)C2=CNN=C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788836	0	49	0.0	-87.68	369.68	1.99	-85.69
COCCCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788837	0	55	0.0	-61.77	402.21	2.91	-58.86
CCSCCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788838	0	55	0.0	-59.97	413.24	5.20	-54.77
CCOC1CC1C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788839	0	56	0.0	-60.30	418.88	4.75	-55.55
C[N@@H+]1CCC(NC(=O)C2=NSN=C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788840	0	47	0.0	-77.36	353.42	2.27	-75.09
CN1CCC(NC(=O)C2=CN=NS2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788841	0	47	0.0	-88.20	369.74	2.35	-85.85
C[N@@H+]1CCC(NC(=O)C2=CN=NS2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788841	1	47	0.0	-58.92	370.37	2.01	-56.91
C[N@H+]1CCC(NC(=O)C2=CN=NS2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788841	1	47	0.0	-58.92	370.37	2.01	-56.91
COC(=O)NCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788842	0	53	0.0	-65.68	393.01	0.22	-65.46
C[N@@H+]1CCC(NC(=O)C2=NOC=C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788843	0	48	0.0	-77.00	353.40	3.52	-73.48
CCCSCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788844	0	55	0.0	-64.30	409.54	5.25	-59.05
CC(=CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300028788845	0	56	0.0	-53.78	411.24	5.84	-47.94
CC1=NNC(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028788846	0	52	0.0	-63.11	386.06	2.43	-60.68
C[N@@H+]1CCC(NC(=O)C2=CN=CS2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788847	1	48	0.0	-88.64	374.63	2.88	-85.76
C[N@H+]1CCC(NC(=O)C2=CN=CS2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788847	1	48	0.0	-63.38	365.89	2.57	-60.81
CCC=C(C)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788848	0	55	0.0	-60.94	391.43	5.26	-55.68
CCC=C(C)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788848	1	55	0.0	-81.15	396.61	5.08	-76.07
CC1=C(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)N=CO1	REAL300028788849	0	51	0.0	-53.66	385.85	0.44	-53.22
CC1=C(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)N=CO1	REAL300028788849	1	51	0.0	-81.35	384.54	0.96	-80.39
CCOC(CC)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788850	0	58	0.0	-92.62	424.67	5.03	-87.59
CCOC(CC)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788850	1	58	0.0	-60.83	428.90	4.51	-56.32
C[N@@H+]1CCC(NC(=O)CC(F)(F)F)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788851	0	48	0.0	-92.00	370.16	3.77	-88.23
C[N@H+]1CCC(NC(=O)CC(F)(F)F)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788851	1	48	0.0	-84.18	362.14	3.62	-80.56
COC(C)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788852	0	52	0.0	-88.26	385.13	3.63	-84.63
COC(C)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788852	1	52	0.0	-65.88	375.53	3.26	-62.62
CC(C)OCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788853	0	55	0.0	-91.46	407.19	4.30	-87.16
CC(C)OCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788853	1	55	0.0	-64.94	398.36	4.18	-60.76
CCCOCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788854	0	55	0.0	-91.16	408.42	4.38	-86.78
CCCOCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788854	1	55	0.0	-64.89	399.59	4.25	-60.64
C[N@@H+]1CCC(NC(=O)C2CCOC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788855	0	53	0.0	-91.65	381.43	2.56	-89.09
C[N@H+]1CCC(NC(=O)C2CCOC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788855	1	53	0.0	-83.54	387.40	2.91	-80.63
CN1N=CC=C1C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788856	0	52	0.0	-86.46	356.55	3.17	-83.29
CN1N=CC=C1C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788856	1	52	0.0	-87.94	388.06	3.31	-84.63
CCC(OC)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788857	0	55	0.0	-74.21	388.54	3.45	-70.76
CCC(OC)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788857	1	55	0.0	-62.83	406.28	3.71	-59.12
COCCCCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788858	0	58	0.0	-86.90	429.02	3.87	-83.03
COCCCCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788858	1	58	0.0	-60.69	423.71	3.69	-57.00
CCCC(C)CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788859	0	60	0.0	-86.23	430.30	6.03	-80.20
CCCC(C)CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788859	1	60	0.0	-62.19	413.79	6.44	-55.75
COC(C)CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788860	0	55	0.0	-88.49	405.18	3.83	-84.66
COC(C)CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788860	1	55	0.0	-62.74	396.33	3.72	-59.02
C=CCCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788861	0	52	0.0	-59.33	381.35	4.40	-54.93
C=CCCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788861	1	52	0.0	-56.07	387.59	4.44	-51.63
C[N@@H+]1CCC(NC(=O)C2=COCCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788862	0	54	0.0	-80.72	382.88	3.70	-77.02
C[N@H+]1CCC(NC(=O)C2=COCCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788862	1	54	0.0	-83.33	387.29	3.56	-79.77
C[N@@H+]1CCC(NC(=O)C2CCCOC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788863	0	56	0.0	-85.89	400.42	3.46	-82.43
C[N@H+]1CCC(NC(=O)C2CCCOC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788863	1	56	0.0	-84.21	404.82	3.73	-80.48
CCOCCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788864	0	55	0.0	-82.07	405.81	3.77	-78.30
CCOCCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788864	1	55	0.0	-60.22	402.57	3.11	-57.11
C[N@@H+]1CCC(NC(=O)C2=CSC=N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788865	0	48	0.0	-75.58	364.81	3.49	-72.09
C[N@H+]1CCC(NC(=O)C2=CSC=N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788865	1	48	0.0	-75.42	360.27	3.56	-71.86
COCC(C)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788866	0	55	0.0	-76.84	398.60	2.39	-74.45
COCC(C)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788866	1	55	0.0	-79.76	394.79	3.12	-76.64
C=CCOCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788867	0	53	0.0	-62.56	394.49	3.97	-58.59
C=CCOCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788867	1	53	0.0	-91.96	399.82	4.16	-87.80
C[N@@H+]1CCC(NC(=O)C2=COC=N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788868	0	48	0.0	-77.09	356.87	1.39	-75.70
C[N@H+]1CCC(NC(=O)C2=COC=N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788868	1	48	0.0	-76.97	352.00	1.47	-75.50
C[N@@H+]1CCC(NC(=O)[C@H]2CCC(=O)N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788869	0	53	0.0	-98.86	394.90	1.17	-97.69
C[N@H+]1CCC(NC(=O)[C@H]2CCC(=O)N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788869	1	53	0.0	-85.99	383.29	1.47	-84.52
CC1=NC=C(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300028788870	0	52	0.0	-88.95	385.08	2.94	-86.01
CC1=NC=C(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300028788870	1	52	0.0	-64.03	386.22	2.77	-61.26
CSCC(C)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788871	0	55	0.0	-76.38	408.36	4.40	-71.98
CSCC(C)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788871	1	55	0.0	-78.61	404.55	5.15	-73.46
CN1CCCC1C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788872	0	57	0.0	-62.96	389.70	2.79	-60.17
CN1CCCC1C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788872	1	57	0.0	-88.10	412.55	2.93	-85.17
CCC(=O)NCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788873	0	55	0.0	-84.89	411.32	1.76	-83.13
CCC(=O)NCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788873	1	55	0.0	-64.72	402.48	1.63	-63.09
C[N@@H+]1CCC(NC(=O)C=CC(C)(C)C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788874	0	58	0.0	-79.57	419.08	5.63	-73.94
C[N@H+]1CCC(NC(=O)C=CC(C)(C)C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788874	1	58	0.0	-57.27	424.75	5.14	-52.13
COCCOCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788875	0	56	0.0	-93.15	420.55	2.82	-90.33
COCCOCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788875	1	56	0.0	-93.72	420.92	2.92	-90.80
CCCC(C)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788876	0	57	0.0	-80.91	402.45	4.36	-76.55
CCCC(C)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788876	1	57	0.0	-59.02	414.44	4.81	-54.21
C[N@@H+]1CCC(NC(=O)CCC2CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788877	0	55	0.0	-61.95	396.62	5.47	-56.48
C[N@H+]1CCC(NC(=O)CCC2CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788877	1	55	0.0	-62.66	387.06	5.92	-56.74
CCCCOCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788878	0	58	0.0	-61.58	430.54	4.70	-56.88
CCCCOCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788878	1	58	0.0	-64.84	421.09	5.03	-59.81
C[N@@H+]1CCC(NC(=O)CC2=NOC=C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788879	0	51	0.0	-64.75	381.27	3.42	-61.33
C[N@H+]1CCC(NC(=O)CC2=NOC=C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788879	1	51	0.0	-65.29	387.34	3.09	-62.20
C[N@@H+]1CCC(NC(=O)CC2CCOC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788880	0	56	0.0	-61.35	401.26	3.13	-58.22
C[N@H+]1CCC(NC(=O)CC2CCOC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788880	1	56	0.0	-91.41	406.66	3.30	-88.11
C[N@@H+]1CCC(NC(=O)C2CC=CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788881	0	53	0.0	-79.89	380.28	4.81	-75.08
C[N@H+]1CCC(NC(=O)C2CC=CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788881	1	53	0.0	-89.37	386.94	5.06	-84.31
C[N@@H+]1CCC(NC(=O)CC2=NNC=C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788882	0	52	0.0	-91.32	391.81	2.77	-88.55
C[N@H+]1CCC(NC(=O)CC2=NNC=C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788882	1	52	0.0	-95.36	391.42	2.68	-92.68
CC1=CC=NC=C1C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788883	0	54	0.0	-84.04	399.20	4.75	-79.29
CC1=CC=NC=C1C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788883	1	54	0.0	-57.32	399.50	4.06	-53.26
CC1=CN=CC(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028788884	0	54	0.0	-58.37	405.07	3.92	-54.45
CC1=CN=CC(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028788884	1	54	0.0	-79.56	392.26	4.42	-75.14
C[N@@H+]1CCC(NC(=O)CC2CCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788885	0	55	0.0	-59.21	394.81	5.14	-54.07
C[N@H+]1CCC(NC(=O)CC2CCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788885	1	55	0.0	-59.76	394.29	5.29	-54.47
CC1=C(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)OC=N1	REAL300028788886	0	51	0.0	-58.01	385.84	0.34	-57.67
CC1=C(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)OC=N1	REAL300028788886	1	51	0.0	-81.13	370.21	2.19	-78.94
CC(C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300028788887	0	55	0.0	-63.51	388.27	5.80	-57.71
CC(C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300028788887	1	55	0.0	-86.92	396.76	5.41	-81.51
C[N@@H+]1CCC(NC(=O)C2C3CCCC32)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788888	0	56	0.0	-60.73	391.32	5.85	-54.88
C[N@H+]1CCC(NC(=O)C2C3CCCC32)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788888	1	56	0.0	-81.36	405.58	5.13	-76.23
C[N@@H+]1CCC(NC(=O)C2=CC(C#N)=CN2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788889	0	51	0.0	-91.32	389.27	3.81	-87.51
C[N@H+]1CCC(NC(=O)C2=CC(C#N)=CN2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788889	1	51	0.0	-96.07	396.17	4.13	-91.94
C[N@@H+]1CCC(NC(=O)CCC2CCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788890	0	58	0.0	-61.68	413.24	5.98	-55.70
C[N@H+]1CCC(NC(=O)CCC2CCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788890	1	58	0.0	-86.22	422.33	6.17	-80.05
CC1=CC=CN=C1C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788891	0	54	0.0	-75.31	389.94	5.53	-69.78
CC1=CC=CN=C1C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788891	1	54	0.0	-75.14	397.38	4.78	-70.36
CC=C(C)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788892	0	52	0.0	-87.39	380.49	4.55	-82.84
CC=C(C)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788892	1	52	0.0	-81.32	374.49	4.28	-77.04
C[N@@H+]1CCC(NC(=O)C2CC(F)(F)C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788893	0	52	0.0	-88.02	392.67	4.80	-83.22
C[N@H+]1CCC(NC(=O)C2CC(F)(F)C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788893	1	52	0.0	-59.12	393.26	4.56	-54.56
CC1CC(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028788894	0	55	0.0	-80.24	397.40	4.80	-75.44
CC1CC(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028788894	1	55	0.0	-76.06	388.58	5.34	-70.72
C[N@@H+]1CCC(NC(=O)C=C2CCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788895	0	53	0.0	-58.05	394.26	4.66	-53.39
C[N@H+]1CCC(NC(=O)C=C2CCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788895	1	53	0.0	-86.06	391.35	5.24	-80.82
CCC(=CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)CC	REAL300028788896	0	58	0.0	-80.74	422.12	6.35	-74.39
CCC(=CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)CC	REAL300028788896	1	58	0.0	-81.67	421.93	6.31	-75.36
CC(C)=C(F)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788897	0	52	0.0	-87.49	390.53	4.55	-82.94
CC(C)=C(F)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788897	1	52	0.0	-51.95	387.21	4.08	-47.87
C[N@@H+]1CCC(NC(=O)C2=CCCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788898	0	53	0.0	-85.07	389.00	5.41	-79.66
C[N@H+]1CCC(NC(=O)C2=CCCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788898	1	53	0.0	-84.60	389.19	5.44	-79.16
CN1C=CC(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028788899	0	53	0.0	-88.09	397.56	5.13	-82.96
CN1C=CC(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028788899	1	53	0.0	-61.95	391.78	4.90	-57.05
CN1C=NC(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028788900	0	52	0.0	-76.64	378.55	5.53	-71.11
CN1C=NC(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028788900	1	52	0.0	-67.34	364.23	5.95	-61.39
C[N@@H+]1CCC(NC(=O)CC2=CC=CN=C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788901	0	54	0.0	-67.47	398.36	4.33	-63.14
C[N@H+]1CCC(NC(=O)CC2=CC=CN=C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788901	1	54	0.0	-93.33	407.44	4.52	-88.81
C[N@@H+]1CCC(NC(=O)C2CCCCO2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788902	0	56	0.0	-62.86	400.45	4.58	-58.28
C[N@H+]1CCC(NC(=O)C2CCCCO2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788902	1	56	0.0	-90.63	402.59	4.79	-85.84
CCC(SC)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788903	0	55	0.0	-77.55	402.29	5.27	-72.28
CCC(SC)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788903	1	55	0.0	-61.54	416.37	4.62	-56.92
C[N@@H+]1CCC(NC(=O)C2CC2(C)C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788904	0	55	0.0	-58.75	393.58	5.21	-53.54
C[N@H+]1CCC(NC(=O)C2CC2(C)C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788904	1	55	0.0	-74.17	386.45	5.40	-68.77
CCC(C)OCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788905	0	58	0.0	-91.21	427.96	5.11	-86.10
CCC(C)OCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788905	1	58	0.0	-90.31	428.34	5.20	-85.11
C[N@@H+]1CCC(NC(=O)[C@H]2CC2(C)C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788906	0	55	0.0	-74.91	388.37	5.22	-69.69
C[N@H+]1CCC(NC(=O)[C@H]2CC2(C)C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788906	1	55	0.0	-78.90	395.76	4.85	-74.05
CSC(C)CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788907	0	55	0.0	-89.36	412.93	5.05	-84.31
CSC(C)CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788907	1	55	0.0	-62.69	404.07	4.93	-57.76
C[N@@H+]1CCC(NC(=O)[C@@H]2CCCO2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788908	0	53	0.0	-91.15	388.64	4.05	-87.10
C[N@H+]1CCC(NC(=O)[C@@H]2CCCO2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788908	1	53	0.0	-87.50	388.62	3.94	-83.56
C#CCCCCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788909	0	56	0.0	-60.78	417.32	5.92	-54.86
C#CCCCCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788909	1	56	0.0	-87.06	422.62	6.10	-80.96
CCNC(=O)CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788910	0	55	0.0	-101.71	409.92	3.12	-98.59
CCNC(=O)CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788910	1	55	0.0	-72.85	401.09	3.01	-69.84
COC(C)CCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788911	0	58	0.0	-78.35	425.00	4.35	-74.00
COC(C)CCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788911	1	58	0.0	-84.98	427.43	3.96	-81.02
C[N@@H+]1CCC(NC(=O)C2=CN=CN=C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788912	0	50	0.0	-82.81	362.38	3.62	-79.19
C[N@H+]1CCC(NC(=O)C2=CN=CN=C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788912	1	50	0.0	-85.02	378.28	2.94	-82.08
C[N@@H+]1CCC(NC(=O)C2=CCOCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788913	0	54	0.0	-83.39	384.26	3.24	-80.15
C[N@H+]1CCC(NC(=O)C2=CCOCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788913	1	54	0.0	-59.32	395.97	2.86	-56.46
C[N@@H+]1CCC(NC(=O)CC2=COC=C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788914	0	52	0.0	-65.59	384.26	4.08	-61.51
C[N@H+]1CCC(NC(=O)CC2=COC=C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788914	1	52	0.0	-89.93	393.09	4.19	-85.74
CC1=NC(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=CO1	REAL300028788915	0	51	0.0	-59.44	391.66	0.37	-59.07
CC1=NC(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=CO1	REAL300028788915	1	51	0.0	-81.86	388.56	0.87	-80.99
C[C@H](NC(N)=O)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788916	0	54	0.0	-80.87	383.63	-1.42	-82.29
C[C@H](NC(N)=O)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788916	1	54	0.0	-88.28	403.57	-0.74	-89.02
CC1=CC(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=CO1	REAL300028788917	0	52	0.0	-62.69	395.96	3.85	-58.84
CC1=CC(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=CO1	REAL300028788917	1	52	0.0	-93.36	392.85	4.36	-89.00
CCC(C)CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788918	0	57	0.0	-62.22	390.41	5.60	-56.62
CCC(C)CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788918	1	57	0.0	-62.37	392.29	5.68	-56.69
C#CCCCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788919	0	53	0.0	-89.62	401.50	5.41	-84.21
C#CCCCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788919	1	53	0.0	-83.17	399.06	5.80	-77.37
C[N@@H+]1CCC(NC(=O)CC(C)(C)O)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788920	0	55	0.0	-62.90	387.93	2.55	-60.35
C[N@H+]1CCC(NC(=O)CC(C)(C)O)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788920	1	55	0.0	-57.39	400.26	2.20	-55.19
COC(C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300028788921	0	56	0.0	-79.02	401.28	4.14	-74.88
COC(C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300028788921	1	56	0.0	-77.83	404.46	5.11	-72.72
CN1N=NC=C1C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788922	0	51	0.0	-62.21	383.18	1.77	-60.44
CN1N=NC=C1C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788922	1	51	0.0	-88.25	382.71	2.09	-86.16
CCCCC(C)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788923	0	60	0.0	-75.40	426.76	5.42	-69.98
CCCCC(C)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788923	1	60	0.0	-58.95	435.94	5.59	-53.36
C[N@@H+]1CCC(NC(=O)[C@H]2C[C@@H]2C(F)F)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788924	0	52	0.0	-85.06	395.62	5.01	-80.05
C[N@H+]1CCC(NC(=O)[C@H]2C[C@@H]2C(F)F)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788924	1	52	0.0	-66.25	374.60	5.13	-61.12
C[N@@H+]1CCC(NC(=O)C2CC(C)(C)C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788925	0	58	0.0	-88.15	412.73	5.42	-82.73
C[N@H+]1CCC(NC(=O)C2CC(C)(C)C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788925	1	58	0.0	-55.45	420.30	5.50	-49.95
CC(C)[C@@H](O)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788926	0	55	0.0	-60.14	374.83	1.26	-58.88
CC(C)[C@@H](O)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788926	1	55	0.0	-59.19	392.93	1.53	-57.66
CN1C=C(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)N=N1	REAL300028788927	0	51	0.0	-80.48	388.61	1.84	-78.64
CN1C=C(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)N=N1	REAL300028788927	1	51	0.0	-62.84	391.73	1.34	-61.50
CN1C=NC(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300028788928	0	51	0.0	-83.36	373.51	4.64	-78.72
CN1C=NC(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300028788928	1	51	0.0	-69.88	358.50	4.96	-64.92
C[N@@H+]1CCC(NC(=O)C2CC2(F)F)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788929	0	49	0.0	-89.26	376.08	4.19	-85.07
C[N@H+]1CCC(NC(=O)C2CC2(F)F)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788929	1	49	0.0	-85.16	375.70	4.17	-80.99
CCC(C)=CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788930	0	55	0.0	-57.80	406.66	4.81	-52.99
CCC(C)=CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788930	1	55	0.0	-82.47	403.53	5.57	-76.90
CC1=CN=CC=C1C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788931	0	54	0.0	-87.28	399.34	4.75	-82.53
CC1=CN=CC=C1C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788931	1	54	0.0	-89.54	398.74	4.44	-85.10
CC(C)C#CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788932	0	53	0.0	-86.06	401.53	5.25	-80.81
CC(C)C#CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788932	1	53	0.0	-59.91	404.66	4.75	-55.16
C[N@@H+]1CCC(NC(=O)CC2(O)CCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788933	0	56	0.0	-61.51	401.85	3.15	-58.36
C[N@H+]1CCC(NC(=O)CC2(O)CCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788933	1	56	0.0	-78.95	404.25	3.03	-75.92
CC1=CNN=C1C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788934	0	52	0.0	-60.10	391.93	2.19	-57.91
CC1=CNN=C1C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788934	1	52	0.0	-77.54	375.57	3.44	-74.10
CC(C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)=C1CCC1	REAL300028788935	0	56	0.0	-85.30	409.43	6.02	-79.28
CC(C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)=C1CCC1	REAL300028788935	1	56	0.0	-81.95	403.74	5.71	-76.24
C[N@@H+]1CCC(NC(=O)C#CC2CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788936	0	51	0.0	-59.52	394.16	4.86	-54.66
C[N@H+]1CCC(NC(=O)C#CC2CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788936	1	51	0.0	-80.40	374.28	5.50	-74.90
C[N@@H+]1CCC(NC(=O)C#CC(C)(C)C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788937	0	56	0.0	-65.36	395.59	5.88	-59.48
C[N@H+]1CCC(NC(=O)C#CC(C)(C)C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788937	1	56	0.0	-85.97	421.68	5.82	-80.15
C[N@@H+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788938	0	51	0.0	-88.70	384.00	4.60	-84.10
C[N@H+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788938	1	51	0.0	-67.88	382.46	4.32	-63.56
C[N@@H+]1CCC(NC(=O)CCNC(N)=O)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788939	0	54	0.0	-69.78	400.77	-1.40	-71.18
C[N@H+]1CCC(NC(=O)CCNC(N)=O)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788939	1	54	0.0	-71.24	406.82	-1.73	-72.97
CC1CCC(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028788940	0	58	0.0	-88.82	414.80	5.71	-83.11
CC1CCC(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028788940	1	58	0.0	-80.72	408.95	5.72	-75.00
C#CCOCCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788941	0	54	0.0	-61.91	408.35	3.66	-58.25
C#CCOCCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788941	1	54	0.0	-83.38	411.60	4.31	-79.07
C#CCOC(C)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788942	0	54	0.0	-93.08	408.80	5.00	-88.08
C#CCOC(C)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788942	1	54	0.0	-64.78	406.35	4.68	-60.10
C[N@@H+]1CCC(NC(=O)C2CC23CCC3)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788943	0	56	0.0	-85.09	408.29	5.98	-79.11
C[N@H+]1CCC(NC(=O)C2CC23CCC3)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788943	1	56	0.0	-80.27	408.08	5.63	-74.64
CN(C)C(=O)CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788944	0	55	0.0	-102.99	406.21	4.22	-98.77
CN(C)C(=O)CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788944	1	55	0.0	-73.80	396.99	4.10	-69.70
CN1C=CC(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300028788945	0	52	0.0	-79.53	380.03	4.18	-75.35
CN1C=CC(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300028788945	1	52	0.0	-79.78	383.63	3.97	-75.81
COCCC(C)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788946	0	58	0.0	-84.75	420.48	3.31	-81.44
COCCC(C)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788946	1	58	0.0	-89.69	423.92	3.65	-86.04
C[N@@H+]1CCC(NC(=O)CN2N=CN=N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788947	0	50	0.0	-72.85	373.84	2.29	-70.56
C[N@H+]1CCC(NC(=O)CN2N=CN=N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788947	1	50	0.0	-64.20	383.60	2.28	-61.92
CCCC[C@@H](C)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788948	0	60	0.0	-74.15	417.33	5.97	-68.18
CCCC[C@@H](C)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788948	1	60	0.0	-86.06	433.24	6.13	-79.93
CCC(C)(C)CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788949	0	60	0.0	-55.06	420.70	5.48	-49.58
CCC(C)(C)CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788949	1	60	0.0	-84.19	420.14	5.71	-78.48
C=CC(C)(C)CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788950	0	58	0.0	-58.47	408.90	5.35	-53.12
C=CC(C)(C)CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788950	1	58	0.0	-55.50	415.13	5.40	-50.10
C[N@@H+]1CCC(NC(=O)CN2N=CC=N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788951	0	51	0.0	-69.77	379.13	1.91	-67.86
C[N@H+]1CCC(NC(=O)CN2N=CC=N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788951	1	51	0.0	-95.50	387.96	2.03	-93.47
C[N@@H+]1CCC(NC(=O)[C@@H]2C[C@H]2C2CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788952	0	56	0.0	-85.82	416.80	6.37	-79.45
C[N@H+]1CCC(NC(=O)[C@@H]2C[C@H]2C2CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788952	1	56	0.0	-53.44	416.83	6.20	-47.24
C[N@@H+]1CCC(NC(=O)C2C=CC=CC=C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788953	0	55	0.0	-76.49	387.48	5.32	-71.17
C[N@H+]1CCC(NC(=O)C2C=CC=CC=C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788953	1	55	0.0	-53.76	403.84	5.75	-48.01
C=C(C)CCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788954	0	55	0.0	-59.11	403.00	5.08	-54.03
C=C(C)CCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788954	1	55	0.0	-56.12	409.23	5.11	-51.01
C[N@@H+]1CCC(NC(=O)C2=CC=NS2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788955	1	48	0.0	-82.27	366.68	3.06	-79.21
C[N@H+]1CCC(NC(=O)C2=CC=NS2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788955	1	48	0.0	-61.73	369.52	3.00	-58.73
C[N@@H+]1CCC(NC(=O)[C@]23C[C@H]2COC3)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788956	0	54	0.0	-90.36	393.94	3.23	-87.13
C[N@H+]1CCC(NC(=O)[C@]23C[C@H]2COC3)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788956	1	54	0.0	-85.43	398.77	3.55	-81.88
CNC(=O)NCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788957	0	54	0.0	-86.36	405.87	-0.41	-86.77
CNC(=O)NCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788957	1	54	0.0	-66.08	397.04	-0.53	-66.61
C[N@@H+]1CCC(NC(=O)[C@H]2CCCO2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788958	0	53	0.0	-91.01	383.43	3.84	-87.17
C[N@H+]1CCC(NC(=O)[C@H]2CCCO2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788958	1	53	0.0	-76.10	378.03	3.33	-72.77
CC(CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300028788959	0	58	0.0	-58.19	421.16	5.56	-52.63
CC(CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300028788959	1	58	0.0	-58.83	414.93	5.89	-52.94
COC1CC(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028788960	0	56	0.0	-81.57	409.70	3.16	-78.41
COC1CC(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028788960	1	56	0.0	-75.92	402.50	3.27	-72.65
C=CCCOCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788961	0	56	0.0	-64.97	412.40	4.81	-60.16
C=CCCOCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788961	1	56	0.0	-61.55	421.85	4.48	-57.07
C=CCOC(C)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788962	0	56	0.0	-90.06	415.92	5.03	-85.03
C=CCOC(C)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788962	1	56	0.0	-90.17	419.83	4.87	-85.30
CC1=CN=CC=C1C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788963	0	54	0.0	-87.28	399.34	4.75	-82.53
CC1=CN=CC=C1C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788963	1	54	0.0	-89.54	398.74	4.44	-85.10
C[N@@H+]1CCC(NC(=O)C2CCC2(F)F)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788964	0	52	0.0	-87.86	390.95	4.84	-83.02
C[N@H+]1CCC(NC(=O)C2CCC2(F)F)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788964	1	52	0.0	-93.12	390.37	5.03	-88.09
C[N@@H+]1CCC(NC(=O)C2=NSC=C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788965	0	48	0.0	-75.48	363.96	3.72	-71.76
C[N@H+]1CCC(NC(=O)C2=NSC=C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788965	1	48	0.0	-81.64	374.02	3.03	-78.61
CC(C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300028788966	0	58	0.0	-84.05	418.26	6.22	-77.83
CC(C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300028788966	1	58	0.0	-58.75	413.10	5.70	-53.05
CC1CC(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CO1	REAL300028788967	0	56	0.0	-59.71	408.33	2.75	-56.96
CC1CC(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CO1	REAL300028788967	1	56	0.0	-82.44	403.15	2.82	-79.62
C[N@@H+]1CCC(NC(=O)CCCC(N)=O)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788968	0	55	0.0	-99.88	411.92	0.96	-98.92
C[N@H+]1CCC(NC(=O)CCCC(N)=O)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788968	1	55	0.0	-90.50	409.47	1.34	-89.16
C[N@@H+]1CCC(NC(=O)C2(F)CCCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788969	0	55	0.0	-57.50	402.76	4.73	-52.77
C[N@H+]1CCC(NC(=O)C2(F)CCCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788969	1	55	0.0	-75.39	394.94	4.09	-71.30
CN1C=NC=C1C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788970	0	52	0.0	-85.65	388.29	5.00	-80.65
CN1C=NC=C1C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788970	1	52	0.0	-85.83	388.11	4.87	-80.96
C[N@@H+]1CCC(NC(=O)CC2=CC=CN=C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788971	0	54	0.0	-67.47	398.36	4.33	-63.14
C[N@H+]1CCC(NC(=O)CC2=CC=CN=C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788971	1	54	0.0	-93.33	407.44	4.52	-88.81
C[N@@H+]1CCC(NC(=O)C2=NNN=C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788972	0	48	0.0	-60.69	368.19	0.07	-60.62
C[N@H+]1CCC(NC(=O)C2=NNN=C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788972	1	48	0.0	-83.06	365.06	0.57	-82.49
CC1=C(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)NC=N1	REAL300028788973	0	52	0.0	-88.27	381.17	3.71	-84.56
CC1=C(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)NC=N1	REAL300028788973	1	52	0.0	-63.38	388.36	3.31	-60.07
CN1N=CC(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300028788974	0	51	0.0	-80.78	374.93	2.49	-78.29
CN1N=CC(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300028788974	1	51	0.0	-65.75	356.74	2.29	-63.46
C[N@@H+]1CCC(NC(=O)CCC(F)F)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788975	0	51	0.0	-87.55	386.90	4.38	-83.17
C[N@H+]1CCC(NC(=O)CCC(F)F)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788975	1	51	0.0	-88.31	386.51	4.29	-84.02
C[N@@H+]1CCC(NC(=O)CC2(C)CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788976	0	55	0.0	-61.43	394.54	5.18	-56.25
C[N@H+]1CCC(NC(=O)CC2(C)CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788976	1	55	0.0	-79.94	399.37	4.98	-74.96
C[N@@H+]1CCC(NC(=O)C2(CCF)CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788977	0	55	0.0	-61.53	401.75	5.19	-56.34
C[N@H+]1CCC(NC(=O)C2(CCF)CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788977	1	55	0.0	-84.75	408.96	5.42	-79.33
CCC(C(=O)NC1CCN(C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028788978	1	59	0.0	-55.47	410.22	2.58	-52.89
C[N@@H+]1CCC(NC(=O)C2=CSN=N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788979	0	47	0.0	-61.01	372.64	1.40	-59.61
C[N@H+]1CCC(NC(=O)C2=CSN=N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788979	1	47	0.0	-79.42	369.52	1.89	-77.53
C[N@@H+]1CCC(NC(=O)C2=CN=CO2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788980	0	48	0.0	-80.78	357.20	1.56	-79.22
C[N@H+]1CCC(NC(=O)C2=CN=CO2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788980	1	48	0.0	-81.14	352.23	1.56	-79.58
C[N@@H+]1CCC(NC(=O)[C@@H]2CCC(=O)N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788981	0	53	0.0	-73.83	395.76	0.79	-73.04
C[N@H+]1CCC(NC(=O)[C@@H]2CCC(=O)N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788981	1	53	0.0	-63.76	396.03	1.06	-62.70
CCC[N@H+](C)CC(=O)NC1CCN(C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788982	1	59	0.0	-47.54	418.66	3.13	-44.41
CCC[N@@H+](C)CC(=O)NC1CCN(C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788982	1	59	0.0	-48.19	418.45	3.11	-45.08
CC1=NNC=C1C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788983	0	52	0.0	-87.73	380.36	2.41	-85.32
CC1=NNC=C1C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788983	1	52	0.0	-92.17	388.17	2.91	-89.26
CC1=C(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)NN=N1	REAL300028788984	0	51	0.0	-88.78	382.56	1.46	-87.32
CC1=C(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)NN=N1	REAL300028788984	1	51	0.0	-66.03	377.19	1.08	-64.95
CCCC(OC)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788985	0	58	0.0	-90.17	427.19	4.96	-85.21
CCCC(OC)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788985	1	58	0.0	-61.11	430.13	4.36	-56.75
CC(CC(N)=O)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788986	0	55	0.0	-81.91	399.57	0.00	-81.91
CC(CC(N)=O)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788986	1	55	0.0	-63.00	408.29	0.17	-62.83
C[N@@H+]1CCC(NC(=O)C2CCNC2=O)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788987	0	53	0.0	-78.26	387.30	0.94	-77.32
C[N@H+]1CCC(NC(=O)C2CCNC2=O)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788987	1	53	0.0	-91.26	382.61	1.20	-90.06
CN1CCC[C@@H]1C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788988	0	57	0.0	-86.89	413.55	3.09	-83.80
CN1CCC[C@@H]1C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788988	1	57	0.0	-59.46	413.92	2.18	-57.28
C[C@@H]1C[C@H]1C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788989	0	52	0.0	-85.86	384.32	4.76	-81.10
C[C@@H]1C[C@H]1C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788989	1	52	0.0	-78.93	379.84	4.60	-74.33
CC1COC(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028788990	0	56	0.0	-92.38	409.10	4.51	-87.87
CC1COC(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028788990	1	56	0.0	-72.53	390.60	4.15	-68.38
CC[NH+](CC)CC(=O)NC1CCN(C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788991	1	59	0.0	-48.46	407.43	2.57	-45.89
CCC(F)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788992	0	51	0.0	-80.74	365.67	4.27	-76.47
CCC(F)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788992	1	51	0.0	-88.89	380.34	4.08	-84.81
C[N@@H+]1CCC(NC(=O)CCCF)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788993	0	51	0.0	-62.20	375.13	3.98	-58.22
C[N@H+]1CCC(NC(=O)CCCF)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788993	1	51	0.0	-83.09	378.38	4.64	-78.45
CC1=COC=C1C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788994	0	52	0.0	-90.59	389.70	4.41	-86.18
CC1=COC=C1C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788994	1	52	0.0	-61.51	390.69	3.80	-57.71
C[C@H]1C[C@@H]1C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788995	0	52	0.0	-84.19	384.29	4.99	-79.20
C[C@H]1C[C@@H]1C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788995	1	52	0.0	-84.63	384.32	4.96	-79.67
CN1N=NC(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300028788996	0	50	0.0	-82.78	369.90	1.86	-80.92
CN1N=NC(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300028788996	1	50	0.0	-57.13	384.32	0.74	-56.39
CC(C)C(F)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788997	0	54	0.0	-90.60	398.44	4.54	-86.06
CC(C)C(F)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788997	1	54	0.0	-82.24	387.46	4.65	-77.59
C=CC(C)C(C)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788998	0	58	0.0	-82.68	420.71	6.01	-76.67
C=CC(C)C(C)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788998	1	58	0.0	-61.53	411.10	5.64	-55.89
CC#CCCCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788999	0	56	0.0	-84.54	420.89	6.75	-77.79
CC#CCCCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028788999	1	56	0.0	-62.75	417.65	6.10	-56.65
C[N@@H+]1CCC(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789000	0	54	0.0	-84.97	398.18	3.36	-81.61
C[N@H+]1CCC(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789000	1	54	0.0	-63.93	389.91	3.22	-60.71
C[N@@H+]1CCC(NC(=O)CCCC2CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789001	0	58	0.0	-62.15	418.12	6.25	-55.90
C[N@H+]1CCC(NC(=O)CCCC2CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789001	1	58	0.0	-86.59	427.21	6.43	-80.16
C[N@@H+]1CCC(NC(=O)C2CCC2(C)C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789002	0	58	0.0	-84.77	410.53	5.75	-79.02
C[N@H+]1CCC(NC(=O)C2CCC2(C)C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789002	1	58	0.0	-61.22	388.33	5.60	-55.62
CC1=COC(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028789003	0	52	0.0	-65.08	364.05	5.31	-59.77
CC1=COC(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028789003	1	52	0.0	-78.75	379.37	5.56	-73.19
C=CC(CC)CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789004	0	58	0.0	-87.09	423.89	5.85	-81.24
C=CC(CC)CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789004	1	58	0.0	-86.53	423.61	5.82	-80.71
C[N@@H+]1CCC(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789005	0	56	0.0	-60.45	407.79	5.43	-55.02
C[N@H+]1CCC(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789005	1	56	0.0	-59.78	400.79	5.79	-53.99
C[N@@H+]1CCC(NC(=O)CC2=CON=C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789006	0	51	0.0	-69.78	378.51	3.51	-66.27
C[N@H+]1CCC(NC(=O)CC2=CON=C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789006	1	51	0.0	-61.39	388.27	3.49	-57.90
C[N@@H+]1CCC(NC(=O)C2(F)CCOC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789007	0	53	0.0	-62.91	386.60	2.35	-60.56
C[N@H+]1CCC(NC(=O)C2(F)CCOC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789007	1	53	0.0	-83.43	391.93	2.83	-80.60
C[N@@H+]1CCC(NC(=O)CCC(C)(C)C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789008	0	60	0.0	-61.92	420.24	5.59	-56.33
C[N@H+]1CCC(NC(=O)CCC(C)(C)C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789008	1	60	0.0	-55.60	430.01	5.57	-50.03
C[N@@H+]1CCC(NC(=O)C2=CC=NC=N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789009	0	50	0.0	-77.80	369.53	4.59	-73.21
C[N@H+]1CCC(NC(=O)C2=CC=NC=N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789009	1	50	0.0	-77.64	364.99	4.45	-73.19
CC1=CC(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=CC=N1	REAL300028789010	0	54	0.0	-82.72	392.12	4.67	-78.05
CC1=CC(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=CC=N1	REAL300028789010	1	54	0.0	-91.73	404.34	4.40	-87.33
C[N@@H+]1CCC(NC(=O)CC2=CC=CO2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789011	0	52	0.0	-63.65	387.81	4.19	-59.46
C[N@H+]1CCC(NC(=O)CC2=CC=CO2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789011	1	52	0.0	-66.02	374.86	4.71	-61.31
C[N@@H+]1CCC(NC(=O)C2=NC=CC=N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789012	0	50	0.0	-86.86	378.27	2.87	-83.99
C[N@H+]1CCC(NC(=O)C2=NC=CC=N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789012	1	50	0.0	-88.99	380.82	3.12	-85.87
CCC(C)CCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789013	0	60	0.0	-87.11	431.14	5.97	-81.14
CCC(C)CCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789013	1	60	0.0	-59.15	425.84	5.78	-53.37
C[N@@H+]1CCC(NC(=O)C2=CC=CN=N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789014	0	50	0.0	-53.87	381.12	2.16	-51.71
C[N@H+]1CCC(NC(=O)C2=CC=CN=N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789014	1	50	0.0	-80.64	379.80	2.68	-77.96
CC1OCCC1C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789015	0	56	0.0	-56.13	408.39	3.16	-52.97
CC1OCCC1C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789015	1	56	0.0	-78.23	385.02	3.20	-75.03
CCC(CC)CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789016	0	60	0.0	-86.61	423.13	5.80	-80.81
CCC(CC)CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789016	1	60	0.0	-61.33	414.19	5.67	-55.66
CCC(C)C(C)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789017	0	60	0.0	-83.50	424.21	6.07	-77.43
CCC(C)C(C)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789017	1	60	0.0	-58.50	427.02	5.23	-53.27
CCCC(CC)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789018	0	60	0.0	-60.41	407.31	6.04	-54.37
CCCC(CC)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789018	1	60	0.0	-58.19	429.04	5.23	-52.96
C[N@@H+]1CCC(NC(=O)C2CCC(F)C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789019	0	55	0.0	-60.92	403.00	4.78	-56.14
C[N@H+]1CCC(NC(=O)C2CCC(F)C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789019	1	55	0.0	-87.99	401.67	5.20	-82.79
C=CCCCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789020	0	55	0.0	-59.80	402.85	5.19	-54.61
C=CCCCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789020	1	55	0.0	-80.95	406.10	5.85	-75.10
C[N@@H+]1CCC(NC(=O)C(N)=O)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789021	0	46	0.0	-78.59	347.76	-1.14	-79.73
C[N@H+]1CCC(NC(=O)C(N)=O)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789021	1	46	0.0	-60.91	349.11	-1.60	-62.51
CC1=NOC=C1C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789022	0	51	0.0	-93.06	384.91	3.79	-89.27
CC1=NOC=C1C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789022	1	51	0.0	-58.09	385.53	3.47	-54.62
CCC1(C)CC1C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789023	0	58	0.0	-86.06	416.33	5.87	-80.19
CCC1(C)CC1C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789023	1	58	0.0	-62.52	397.93	6.25	-56.27
COCC(C)CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789024	0	58	0.0	-89.83	423.51	3.72	-86.11
COCC(C)CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789024	1	58	0.0	-62.81	407.00	4.13	-58.68
C[N@@H+]1CCC(NC(=O)CCC2(C)CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789025	0	58	0.0	-62.29	412.98	5.82	-56.47
C[N@H+]1CCC(NC(=O)CCC2(C)CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789025	1	58	0.0	-86.71	422.07	6.01	-80.70
CC1=C(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)ON=C1	REAL300028789026	0	51	0.0	-61.43	387.89	3.15	-58.28
CC1=C(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)ON=C1	REAL300028789026	1	51	0.0	-79.40	371.57	4.92	-74.48
CC1CC1CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789027	0	55	0.0	-87.49	404.66	5.46	-82.03
CC1CC1CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789027	1	55	0.0	-59.48	397.31	5.25	-54.23
C[N@@H+]1CCC(NC(=O)C[C@H]2CCOC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789028	0	56	0.0	-61.95	401.26	3.12	-58.83
C[N@H+]1CCC(NC(=O)C[C@H]2CCOC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789028	1	56	0.0	-86.32	403.04	3.02	-83.30
C[N@@H+]1CCC(NC(=O)CC(C)(F)F)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789029	0	51	0.0	-64.13	378.94	4.04	-60.09
C[N@H+]1CCC(NC(=O)CC(C)(F)F)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789029	1	51	0.0	-95.05	384.25	4.23	-90.82
COCC(OC)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789030	0	56	0.0	-92.20	415.04	2.77	-89.43
COCC(OC)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789030	1	56	0.0	-62.93	413.39	2.46	-60.47
CCC[C@@H]1C[C@H]1C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789031	0	58	0.0	-74.76	414.13	6.39	-68.37
CCC[C@@H]1C[C@H]1C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789031	1	58	0.0	-78.87	422.77	6.15	-72.72
C[N@@H+]1CCC(NC(=O)C2CC3(CC3)C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789032	0	56	0.0	-78.64	401.50	5.65	-72.99
C[N@H+]1CCC(NC(=O)C2CC3(CC3)C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789032	1	56	0.0	-80.86	408.83	5.56	-75.30
CC1=CC=C(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C=C1	REAL300028789033	0	55	0.0	-81.36	392.98	6.30	-75.06
CC1=CC=C(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C=C1	REAL300028789033	1	55	0.0	-87.39	409.38	6.53	-80.86
CCCCCCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789034	0	60	0.0	-81.05	436.28	6.84	-74.21
CCCCCCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789034	1	60	0.0	-59.22	433.04	6.19	-53.03
CC[N@H+](C)CCC(=O)NC1CCN(C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789035	1	59	0.0	-59.22	427.15	2.96	-56.26
CC[N@@H+](C)CCC(=O)NC1CCN(C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789035	1	59	0.0	-59.24	427.16	2.96	-56.28
CC1=CON=C1C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789036	0	51	0.0	-53.35	386.39	2.95	-50.40
CC1=CON=C1C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789036	1	51	0.0	-81.41	385.07	3.47	-77.94
C[N@@H+]1CCC(NC(=O)[C@H]2C[C@H]2C(N)=O)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789037	0	53	0.0	-79.65	391.05	0.11	-79.54
C[N@H+]1CCC(NC(=O)[C@H]2C[C@H]2C(N)=O)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789037	1	53	0.0	-63.11	368.07	1.94	-61.17
CC[C@@H](C(=O)NC1CCN(C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028789038	1	59	0.0	-52.29	401.92	2.30	-49.99
C[N@@H+]1CCC(NC(=O)CN2C=NC=N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789039	0	51	0.0	-74.39	378.54	4.97	-69.42
C[N@H+]1CCC(NC(=O)CN2C=NC=N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789039	1	51	0.0	-102.16	387.33	5.10	-97.06
C[N@@H+]1CCC(NC(=O)CC2=NNC=N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789040	0	51	0.0	-68.94	378.14	2.97	-65.97
C[N@H+]1CCC(NC(=O)CC2=NNC=N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789040	1	51	0.0	-93.95	387.22	3.16	-90.79
C[N@@H+]1CCC(NC(=O)CC2=NN=CN2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789040	1	51	0.0	-71.01	380.30	3.46	-67.55
C[N@H+]1CCC(NC(=O)CC2=NN=CN2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789040	1	51	0.0	-73.09	386.34	3.14	-69.95
CC(C)C(C)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789041	0	57	0.0	-83.37	406.20	5.44	-77.93
CC(C)C(C)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789041	1	57	0.0	-75.59	397.65	4.65	-70.94
CC[C@@H]1C[C@H]1C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789042	0	55	0.0	-86.08	405.74	5.53	-80.55
CC[C@@H]1C[C@H]1C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789042	1	55	0.0	-77.35	397.83	5.68	-71.67
CC(C)CCCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789043	0	60	0.0	-80.46	432.35	6.58	-73.88
CC(C)CCCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789043	1	60	0.0	-59.09	429.10	5.91	-53.18
C[N@@H+]1CCC(NC(=O)C2CC23CC3)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789044	0	53	0.0	-82.08	392.81	5.19	-76.89
C[N@H+]1CCC(NC(=O)C2CC23CC3)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789044	1	53	0.0	-62.91	376.33	5.89	-57.02
C[N@@H+]1CCC(NC(=O)CC2=CNC=N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789045	0	52	0.0	-64.29	385.60	3.73	-60.56
C[N@H+]1CCC(NC(=O)CC2=CNC=N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789045	1	52	0.0	-68.98	372.63	4.25	-64.73
C[N@@H+]1CCC(NC(=O)CC2=CN=CN2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789045	1	52	0.0	-70.27	382.90	3.60	-66.67
C[N@H+]1CCC(NC(=O)CC2=CN=CN2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789045	1	52	0.0	-62.58	392.67	3.58	-59.00
C[N@@H+]1CCC(NC(=O)[C@@H]2CC(=O)N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789046	0	50	0.0	-70.72	371.37	-0.58	-71.30
C[N@H+]1CCC(NC(=O)[C@@H]2CC(=O)N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789046	1	50	0.0	-75.13	379.62	-0.19	-75.32
C[N@@H+]1CCC(NC(=O)C2=CCCCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789047	0	56	0.0	-60.67	376.64	5.33	-55.34
C[N@H+]1CCC(NC(=O)C2=CCCCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789047	1	56	0.0	-53.73	405.17	5.61	-48.12
CC(=CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C(C)C	REAL300028789048	0	58	0.0	-55.69	420.72	5.26	-50.43
CC(=CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C(C)C	REAL300028789048	1	58	0.0	-75.49	413.32	6.06	-69.43
C[N@@H+]1CCC(NC(=O)[C@H]2CC(=O)N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789049	0	50	0.0	-70.44	371.50	-0.57	-71.01
C[N@H+]1CCC(NC(=O)[C@H]2CC(=O)N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789049	1	50	0.0	-101.48	376.64	-0.41	-101.89
C[N@@H+]1CCC(NC(=O)CN2C=NC=N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789050	0	51	0.0	-74.39	378.54	4.97	-69.42
C[N@H+]1CCC(NC(=O)CN2C=NC=N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789050	1	51	0.0	-102.16	387.33	5.10	-97.06
C[N@@H+]1CCC(NC(=O)C2CSC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789051	0	50	0.0	-64.38	361.80	4.57	-59.81
C[N@H+]1CCC(NC(=O)C2CSC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789051	1	50	0.0	-63.73	373.00	4.15	-59.58
C=CCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789052	0	49	0.0	-62.40	356.42	3.68	-58.72
C=CCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789052	1	49	0.0	-62.83	346.86	4.12	-58.71
CN(C)CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789053	0	53	0.0	-63.52	367.60	1.90	-61.62
CN(C)CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789053	1	53	0.0	-80.00	381.70	1.28	-78.72
C=CC(O)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789054	0	50	0.0	-60.38	379.28	1.13	-59.25
C=CC(O)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789054	1	50	0.0	-87.48	373.47	1.81	-85.67
C[N@@H+]1CCC(NC(=O)CCCN=[N+]=[N-])C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789055	0	53	0.0	-90.46	404.36	0.76	-89.70
C[N@H+]1CCC(NC(=O)CCCN=[N+]=[N-])C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789055	1	53	0.0	-83.32	401.94	1.15	-82.17
C[N@@H+]1CCC(NC(=O)C2OCC2(C)C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789056	0	56	0.0	-90.34	408.52	3.98	-86.36
C[N@H+]1CCC(NC(=O)C2OCC2(C)C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789056	1	56	0.0	-77.73	375.31	2.67	-75.06
CC(C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)N1CCC1	REAL300028789057	0	57	0.0	-72.05	387.24	1.16	-70.89
CC(C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)N1CCC1	REAL300028789057	1	57	0.0	-75.34	395.73	2.01	-73.33
C[N@@H+]1CCC(NC(=O)[C@H]2CC2(F)F)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789058	0	49	0.0	-86.57	367.96	4.17	-82.40
C[N@H+]1CCC(NC(=O)[C@H]2CC2(F)F)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789058	1	49	0.0	-90.95	374.46	4.30	-86.65
C[N@@H+]1CCC(NC(=O)CC2=CNN=C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789059	0	52	0.0	-93.01	392.58	2.81	-90.20
C[N@H+]1CCC(NC(=O)CC2=CNN=C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789059	1	52	0.0	-93.27	392.46	2.78	-90.49
CC(C)NC(=O)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789060	0	55	0.0	-79.51	410.36	1.47	-78.04
CC(C)NC(=O)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789060	1	55	0.0	-78.42	411.81	2.02	-76.40
C=C(Cl)CCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789061	0	52	0.0	-60.40	398.38	4.93	-55.47
C=C(Cl)CCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789061	1	52	0.0	-58.30	404.42	4.60	-53.70
CC1=C(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CCO1	REAL300028789062	0	54	0.0	-84.14	396.01	4.20	-79.94
CC1=C(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CCO1	REAL300028789062	1	54	0.0	-83.64	396.20	4.24	-79.40
C[N@@H+]1CCC(NC(=O)C=C2CCCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789063	0	56	0.0	-58.15	410.69	5.33	-52.82
C[N@H+]1CCC(NC(=O)C=C2CCCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789063	1	56	0.0	-75.62	397.63	6.22	-69.40
CN(CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300028789064	0	57	0.0	-87.14	411.48	3.05	-84.09
CN(CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300028789064	1	57	0.0	-61.86	406.65	3.03	-58.83
CC(C)=CCCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789065	0	58	0.0	-59.14	420.31	5.83	-53.31
CC(C)=CCCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789065	1	58	0.0	-57.92	425.93	5.49	-52.43
C[N@@H+]1CCC(NC(=O)C2COC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789066	0	50	0.0	-88.12	370.06	1.84	-86.28
C[N@H+]1CCC(NC(=O)C2COC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789066	1	50	0.0	-87.13	369.96	1.83	-85.30
CC1CCC(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300028789067	0	56	0.0	-64.51	385.99	4.63	-59.88
CC1CCC(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300028789067	1	56	0.0	-93.08	409.81	4.67	-88.41
C[N@@H+]1CCC(NC(=O)CC2(CO)CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789068	0	56	0.0	-61.09	404.97	1.96	-59.13
C[N@H+]1CCC(NC(=O)CC2(CO)CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789068	1	56	0.0	-83.13	415.01	2.31	-80.82
CN1CCC(NC(=O)CC2C[NH+](C)C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789069	1	57	0.0	-77.45	421.17	2.42	-75.03
C[N@@H+]1CCC(NC(=O)C2CC(C)(O)C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789070	0	56	0.0	-88.80	410.09	1.98	-86.82
C[N@H+]1CCC(NC(=O)C2CC(C)(O)C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789070	1	56	0.0	-62.57	404.07	1.68	-60.89
CO[C@H](C)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789071	0	52	0.0	-92.56	384.65	3.28	-89.28
CO[C@H](C)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789071	1	52	0.0	-76.25	372.92	2.78	-73.47
CC1=NNC(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300028789072	0	51	0.0	-68.29	356.34	3.62	-64.67
CC1=NNC(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300028789072	1	51	0.0	-80.27	372.61	3.12	-77.15
CC1=NN=C(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300028789072	1	51	0.0	-81.51	377.85	3.38	-78.13
CC1=NN=C(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300028789072	1	51	0.0	-81.30	387.40	2.81	-78.49
C[N@@H+]1CCC(NC(=O)[C@@H]2C[C@@H]2C(F)F)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789073	0	52	0.0	-62.85	390.98	4.64	-58.21
C[N@H+]1CCC(NC(=O)[C@@H]2C[C@@H]2C(F)F)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789073	1	52	0.0	-77.31	386.97	4.27	-73.04
C[N@@H+]1CCC(NC(=O)C2=COC(=O)N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789074	0	49	0.0	-91.64	367.83	0.53	-91.11
C[N@H+]1CCC(NC(=O)C2=COC(=O)N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789074	1	49	0.0	-96.32	375.72	0.95	-95.37
CC=CC(O)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789075	0	53	0.0	-81.22	382.39	2.93	-78.29
CC=CC(O)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789075	1	53	0.0	-60.17	400.99	1.99	-58.18
CCCC[C@H](C)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789076	0	60	0.0	-77.04	419.64	6.33	-70.71
CCCC[C@H](C)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789076	1	60	0.0	-76.38	421.05	6.00	-70.38
C[C@@H](C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)N(C)C	REAL300028789077	1	56	0.0	-75.33	388.79	1.85	-73.48
C[C@@H](C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)N(C)C	REAL300028789077	1	56	0.0	-85.74	400.21	2.22	-83.52
CCC=C(F)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789078	0	52	0.0	-58.14	394.28	4.26	-53.88
CCC=C(F)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789078	1	52	0.0	-79.20	391.26	4.96	-74.24
CCC=CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789079	0	52	0.0	-80.25	386.04	4.34	-75.91
CCC=CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789079	1	52	0.0	-84.63	387.22	4.65	-79.98
C[N@@H+]1CCC(NC(=O)C2CCC(=O)N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789081	0	53	0.0	-96.87	393.68	1.30	-95.57
C[N@H+]1CCC(NC(=O)C2CCC(=O)N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789081	1	53	0.0	-66.92	371.14	1.10	-65.82
CN1C=CN=C1C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789082	0	52	0.0	-77.26	374.46	4.82	-72.44
CN1C=CN=C1C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789082	1	52	0.0	-78.01	379.26	4.87	-73.14
C[N@@H+]1CCC(NC(=O)CC(O)C2CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789083	0	56	0.0	-61.90	410.00	2.94	-58.96
C[N@H+]1CCC(NC(=O)CC(O)C2CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789083	1	56	0.0	-62.03	412.48	2.86	-59.17
CC(C)CC(F)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789084	0	57	0.0	-90.51	416.88	5.28	-85.23
CC(C)CC(F)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789084	1	57	0.0	-60.46	419.82	4.71	-55.75
CC(=CC1CC1)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789085	0	56	0.0	-85.56	411.65	6.35	-79.21
CC(=CC1CC1)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789085	1	56	0.0	-88.03	411.97	6.08	-81.95
C[N@@H+]1CCC(NC(=O)C2CCC=CO2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789086	0	54	0.0	-77.04	386.12	4.28	-72.76
C[N@H+]1CCC(NC(=O)C2CCC=CO2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789086	1	54	0.0	-64.96	372.15	4.82	-60.14
C[N@@H+]1CCC(NC(=O)CC2CSC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789087	0	53	0.0	-89.86	400.07	5.00	-84.86
C[N@H+]1CCC(NC(=O)CC2CSC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789087	1	53	0.0	-92.38	400.05	4.94	-87.44
C[N@@H+]1CCC(NC(=O)CO)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789088	0	46	0.0	-66.44	333.98	0.21	-66.23
C[N@H+]1CCC(NC(=O)CO)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789088	1	46	0.0	-92.45	342.83	0.33	-92.12
C[N@@H+]1CCC(NC(=O)C=CC(N)=O)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789089	0	50	0.0	-84.23	382.37	0.18	-84.05
C[N@H+]1CCC(NC(=O)C=CC(N)=O)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789089	1	50	0.0	-82.43	381.35	-0.38	-82.81
C#CCSCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789090	0	51	0.0	-64.23	397.32	4.92	-59.31
C#CCSCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789090	1	51	0.0	-93.17	402.65	5.09	-88.08
CC(O)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789091	0	49	0.0	-84.37	359.44	1.30	-83.07
CC(O)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789091	1	49	0.0	-84.82	359.02	1.24	-83.58
C[N@@H+]1CCC(NC(=O)C(O)C2CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789092	0	53	0.0	-85.32	392.44	2.80	-82.52
C[N@H+]1CCC(NC(=O)C(O)C2CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789092	1	53	0.0	-59.54	396.03	2.13	-57.41
C[N@@H+]1CCC(NC(=O)CN2C=NN=C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789093	0	51	0.0	-74.37	382.51	5.90	-68.47
C[N@H+]1CCC(NC(=O)CN2C=NN=C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789093	1	51	0.0	-102.73	388.10	6.08	-96.65
C=CCC(C)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789094	0	55	0.0	-75.83	398.39	4.49	-71.34
C=CCC(C)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789094	1	55	0.0	-59.13	406.23	4.59	-54.54
C[N@@H+]1CCC(NC(=O)C2CC2F)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789095	0	49	0.0	-60.20	372.59	3.60	-56.60
C[N@H+]1CCC(NC(=O)C2CC2F)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789095	1	49	0.0	-76.19	354.46	4.26	-71.93
C[C@@H](C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)N(C)C	REAL300028789096	1	56	0.0	-75.33	388.79	1.85	-73.48
C[C@@H](C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)N(C)C	REAL300028789096	1	56	0.0	-85.74	400.21	2.22	-83.52
C[N@@H+]1CCC(NC(=O)CCF)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789097	0	48	0.0	-60.69	353.63	3.22	-57.47
C[N@H+]1CCC(NC(=O)CCF)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789097	1	48	0.0	-58.80	359.68	2.89	-55.91
C[N@@H+]1CCC(NC(=O)CN2C=CN=N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789098	0	51	0.0	-100.44	386.80	2.47	-97.97
C[N@H+]1CCC(NC(=O)CN2C=CN=N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789098	1	51	0.0	-67.18	368.18	2.70	-64.48
CCC(C)C(O)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789099	0	58	0.0	-87.80	416.23	3.24	-84.56
CCC(C)C(O)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789099	1	58	0.0	-59.47	419.04	2.77	-56.70
CC(C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)=C1CC1	REAL300028789100	0	53	0.0	-86.48	395.34	5.51	-80.97
CC(C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)=C1CC1	REAL300028789100	1	53	0.0	-82.50	389.40	5.20	-77.30
CCC1CC1C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789101	0	55	0.0	-76.38	393.29	5.77	-70.61
CCC1CC1C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789101	1	55	0.0	-58.35	403.10	4.95	-53.40
CC(O)CCCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789102	0	58	0.0	-82.88	425.09	2.77	-80.11
CC(O)CCCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789102	1	58	0.0	-61.62	421.85	2.11	-59.51
C[N@@H+]1CCC(NC(=O)CC2(O)CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789103	0	53	0.0	-62.84	388.85	1.10	-61.74
C[N@H+]1CCC(NC(=O)CC2(O)CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789103	1	53	0.0	-82.23	390.73	2.04	-80.19
C[N@@H+]1CCC(NC(=O)C=CCF)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789104	0	49	0.0	-87.39	372.32	4.01	-83.38
C[N@H+]1CCC(NC(=O)C=CCF)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789104	1	49	0.0	-84.30	371.14	3.69	-80.61
C[N@@H+]1CCC(NC(=O)C(F)CC2CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789105	0	55	0.0	-60.97	414.77	5.14	-55.83
C[N@H+]1CCC(NC(=O)C(F)CC2CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789105	1	55	0.0	-72.37	396.20	5.65	-66.72
CCC(CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)OC	REAL300028789106	0	58	0.0	-58.23	421.72	4.07	-54.16
CCC(CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)OC	REAL300028789106	1	58	0.0	-87.74	421.03	4.36	-83.38
C[N@@H+]1CCC(NC(=O)C2=C(Cl)CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789107	0	50	0.0	-89.50	390.48	5.38	-84.12
C[N@H+]1CCC(NC(=O)C2=C(Cl)CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789107	1	50	0.0	-84.72	386.84	4.80	-79.92
C[N@@H+]1CCC(NC(=O)[C@]23C[C@H]2[C@H](F)C3)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789108	0	53	0.0	-86.08	396.75	5.57	-80.51
C[N@H+]1CCC(NC(=O)[C@]23C[C@H]2[C@H](F)C3)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789108	1	53	0.0	-86.56	398.03	5.42	-81.14
C[N@@H+]1CCC(NC(=O)C2=CCCOC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789109	0	54	0.0	-60.30	389.74	3.26	-57.04
C[N@H+]1CCC(NC(=O)C2=CCCOC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789109	1	54	0.0	-83.94	388.54	3.10	-80.84
C[N@@H+]1CCC(NC(=O)C(O)C(C)(C)C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789110	0	58	0.0	-86.09	413.50	3.74	-82.35
C[N@H+]1CCC(NC(=O)C(O)C(C)(C)C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789110	1	58	0.0	-56.23	413.28	3.57	-52.66
C#CCCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789111	0	50	0.0	-60.37	374.32	4.36	-56.01
C#CCCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789111	1	50	0.0	-81.13	377.57	5.01	-76.12
C[N@@H+]1CCC(NC(=O)CN2CCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789112	0	54	0.0	-79.23	385.44	1.34	-77.89
C[N@H+]1CCC(NC(=O)CN2CCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789112	1	54	0.0	-83.68	390.68	0.87	-82.81
CC(C)C(O)CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789113	0	58	0.0	-62.17	421.81	2.44	-59.73
CC(C)C(O)CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789113	1	58	0.0	-64.74	409.73	2.99	-61.75
CC1=CC=C(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)N=C1	REAL300028789114	0	54	0.0	-76.82	395.79	5.43	-71.39
CC1=CC=C(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)N=C1	REAL300028789114	1	54	0.0	-82.96	406.19	4.46	-78.50
C#C[C@H]1C[C@H]1C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789115	0	51	0.0	-64.52	379.89	4.97	-59.55
C#C[C@H]1C[C@H]1C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789115	1	51	0.0	-62.42	365.74	5.46	-56.96
C[N@@H+]1CCC(NC(=O)C2=CNC(=O)O2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789116	0	49	0.0	-81.01	367.00	1.79	-79.22
C[N@H+]1CCC(NC(=O)C2=CNC(=O)O2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789116	1	49	0.0	-81.42	376.45	0.82	-80.60
CC(C)[C@@H]1C[C@H]1C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789117	0	58	0.0	-74.77	411.64	6.15	-68.62
CC(C)[C@@H]1C[C@H]1C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789117	1	58	0.0	-76.10	415.93	6.09	-70.01
C[N@@H+]1CCC(NC(=O)C2C3CCC32)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789118	0	53	0.0	-61.47	384.43	5.14	-56.33
C[N@H+]1CCC(NC(=O)C2C3CCC32)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789118	1	53	0.0	-79.58	378.63	5.27	-74.31
C=C1CCC1C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789119	0	53	0.0	-64.02	371.55	4.93	-59.09
C=C1CCC1C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789119	1	53	0.0	-63.53	367.91	5.04	-58.49
C[C@H]1C(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)[C@H]1C	REAL300028789120	0	55	0.0	-76.38	385.03	5.39	-70.99
C[C@H]1C(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)[C@H]1C	REAL300028789120	1	55	0.0	-58.89	402.15	4.83	-54.06
C[C@H](C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)N(C)C	REAL300028789121	1	56	0.0	-86.94	400.08	2.08	-84.86
C[C@H](C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)N(C)C	REAL300028789121	1	56	0.0	-82.40	395.48	1.71	-80.69
CC=CC=CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789122	0	53	0.0	-80.25	400.12	5.02	-75.23
CC=CC=CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789122	1	53	0.0	-84.08	401.15	5.57	-78.51
CN1N=CN=C1C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789123	0	51	0.0	-80.77	383.61	3.98	-76.79
CN1N=CN=C1C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789123	1	51	0.0	-80.21	383.93	4.10	-76.11
C[N@@H+]1CCC(NC(=O)[C@@H]2CC[C@@H](O)C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789124	0	56	0.0	-65.31	400.57	1.69	-63.62
C[N@H+]1CCC(NC(=O)[C@@H]2CC[C@@H](O)C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789124	1	56	0.0	-78.34	398.96	2.01	-76.33
C[N@@H+]1CCC(NC(=O)C=CS(C)=O)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789125	0	51	0.0	-88.99	398.18	1.89	-87.10
C[N@H+]1CCC(NC(=O)C=CS(C)=O)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789125	1	51	0.0	-66.69	398.71	1.09	-65.60
C[N@@H+]1CCC(NC(=O)[C@@H]2CC=CCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789126	0	56	0.0	-61.05	405.68	5.68	-55.37
C[N@H+]1CCC(NC(=O)[C@@H]2CC=CCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789126	1	56	0.0	-87.37	405.55	5.68	-81.69
COCC=CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789127	0	53	0.0	-84.43	398.31	2.62	-81.81
COCC=CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789127	1	53	0.0	-87.48	399.49	2.93	-84.55
C[N@@H+]1CCC(NC(=O)CCS(C)=O)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789128	0	53	0.0	-68.16	401.30	1.67	-66.49
C[N@H+]1CCC(NC(=O)CCS(C)=O)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789128	1	53	0.0	-65.66	407.54	1.71	-63.95
CC1CN(CC(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028789129	0	57	0.0	-80.41	413.14	1.67	-78.74
CC1CN(CC(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028789129	1	57	0.0	-88.26	416.10	2.03	-86.23
C[N@@H+]1CCC(NC(=O)C2=CCCCO2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789130	0	54	0.0	-82.32	396.47	4.15	-78.17
C[N@H+]1CCC(NC(=O)C2=CCCCO2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789130	1	54	0.0	-53.72	397.45	3.55	-50.17
C[N@@H+]1CCC(NC(=O)C2=CCCS2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789131	0	51	0.0	-80.92	389.17	4.98	-75.94
C[N@H+]1CCC(NC(=O)C2=CCCS2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789131	1	51	0.0	-61.73	389.53	4.78	-56.95
CC1=NOC(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028789132	0	53	0.0	-71.38	398.89	3.52	-67.86
CC1=NOC(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028789132	1	53	0.0	-96.31	394.92	3.55	-92.76
C[N@@H+]1CCC(NC(=O)C(=O)NC2CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789133	0	53	0.0	-78.04	401.44	1.82	-76.22
C[N@H+]1CCC(NC(=O)C(=O)NC2CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789133	1	53	0.0	-78.41	401.48	2.11	-76.30
C[N@@H+]1CCC(NC(=O)C2CCSC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789134	0	53	0.0	-77.63	385.03	4.95	-72.68
C[N@H+]1CCC(NC(=O)C2CCSC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789134	1	53	0.0	-80.04	392.16	4.51	-75.53
C[N@@H+]1CCC(NC(=O)C2CCO2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789135	0	50	0.0	-81.02	356.75	2.48	-78.54
C[N@H+]1CCC(NC(=O)C2CCO2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789135	1	50	0.0	-64.06	347.18	2.86	-61.20
C[N@@H+]1CCC(NC(=O)CCN=[N+]=[N-])C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789136	0	50	0.0	-61.23	377.18	-0.31	-61.54
C[N@H+]1CCC(NC(=O)CCN=[N+]=[N-])C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789136	1	50	0.0	-79.38	380.42	0.35	-79.03
C#CCOCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789137	0	51	0.0	-65.05	387.37	3.93	-61.12
C#CCOCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789137	1	51	0.0	-94.65	392.70	4.10	-90.55
C[N@@H+]1CCC(NC(=O)CC2=NN=CO2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789138	0	50	0.0	-70.38	377.15	-1.70	-72.08
C[N@H+]1CCC(NC(=O)CC2=NN=CO2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789138	1	50	0.0	-95.97	382.73	-1.52	-97.49
CN(CCO)CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789139	0	57	0.0	-88.49	415.10	-0.95	-89.44
CN(CCO)CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789139	1	57	0.0	-89.69	415.35	-0.83	-90.52
C[N@@H+]1CCC(NC(=O)C2CCCS2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789140	0	53	0.0	-59.43	391.08	4.84	-54.59
C[N@H+]1CCC(NC(=O)C2CCCS2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789140	1	53	0.0	-86.58	397.53	5.20	-81.38
C[N@@H+]1CCC(NC(=O)CC2=CC=CC=N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789141	0	54	0.0	-62.70	400.51	4.43	-58.27
C[N@H+]1CCC(NC(=O)CC2=CC=CC=N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789141	1	54	0.0	-66.61	387.55	4.94	-61.67
CC1=CC1C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789142	0	50	0.0	-83.70	377.95	5.00	-78.70
CC1=CC1C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789142	1	50	0.0	-55.36	379.30	4.56	-50.80
CN(C)C(=O)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789143	0	52	0.0	-52.52	386.06	1.54	-50.98
CN(C)C(=O)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789143	1	52	0.0	-77.25	384.99	2.34	-74.91
CSC=CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789144	0	50	0.0	-79.28	387.00	3.90	-75.38
CSC=CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789144	1	50	0.0	-83.00	388.19	4.22	-78.78
CCN(C)CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789145	1	56	0.0	-87.19	403.95	2.39	-84.80
CCN(C)CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789145	1	56	0.0	-62.14	394.99	2.25	-59.89
C[N@@H+]1CCC(NC(=O)CCC(C)(C)F)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789146	0	57	0.0	-86.27	418.28	5.44	-80.83
C[N@H+]1CCC(NC(=O)CCC(C)(C)F)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789146	1	57	0.0	-85.09	415.82	5.82	-79.27
CCC=CC=CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789147	0	56	0.0	-80.28	421.22	5.78	-74.50
CCC=CC=CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789147	1	56	0.0	-84.05	422.25	6.33	-77.72
CC1=CC(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=CN1	REAL300028789149	0	53	0.0	-63.57	397.46	3.52	-60.05
CC1=CC(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=CN1	REAL300028789149	1	53	0.0	-96.04	396.72	4.00	-92.04
CC1=C(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CCC1	REAL300028789150	0	56	0.0	-71.75	385.58	5.34	-66.41
CC1=C(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CCC1	REAL300028789150	1	56	0.0	-83.50	407.46	6.16	-77.34
C=C1CC(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028789151	0	53	0.0	-63.41	375.80	5.45	-57.96
C=C1CC(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028789151	1	53	0.0	-86.80	392.63	5.04	-81.76
CC1=NC=C(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300028789152	0	51	0.0	-61.48	391.67	0.48	-61.00
CC1=NC=C(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300028789152	1	51	0.0	-86.74	388.56	1.00	-85.74
C[N@@H+]1CCC(NC(=O)C2CCC2F)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789153	0	52	0.0	-81.03	386.09	4.73	-76.30
C[N@H+]1CCC(NC(=O)C2CCC2F)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789153	1	52	0.0	-65.16	362.86	4.75	-60.41
C[N@@H+]1CCC(NC(=O)C2=CN=CN2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789154	0	49	0.0	-64.75	372.42	2.38	-62.37
C[N@H+]1CCC(NC(=O)C2=CN=CN2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789154	1	49	0.0	-94.61	369.49	3.09	-91.52
CC1=NOC(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300028789155	0	50	0.0	-86.41	376.95	0.98	-85.43
CC1=NOC(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300028789155	1	50	0.0	-64.92	377.85	0.86	-64.06
C[N@@H+]1CCC(NC(=O)C2CC3CC3C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789156	0	56	0.0	-60.00	398.94	5.76	-54.24
C[N@H+]1CCC(NC(=O)C2CC3CC3C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789156	1	56	0.0	-63.06	385.85	6.18	-56.88
C[N@@H+]1CCC(NC(=O)C2=CCSC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789157	0	51	0.0	-61.31	382.66	4.68	-56.63
C[N@H+]1CCC(NC(=O)C2=CCSC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789157	1	51	0.0	-58.77	388.87	4.31	-54.46
CCCC(O)CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789158	0	58	0.0	-90.82	426.02	3.16	-87.66
CCCC(O)CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789158	1	58	0.0	-61.66	420.68	2.99	-58.67
C[N@@H+]1CCC(NC(=O)C2=CCCO2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789159	0	51	0.0	-53.67	381.56	2.60	-51.07
C[N@H+]1CCC(NC(=O)C2=CCCO2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789159	1	51	0.0	-82.20	380.24	3.11	-79.09
CC(=CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C(F)F	REAL300028789160	0	52	0.0	-77.79	388.97	5.09	-72.70
CC(=CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C(F)F	REAL300028789160	1	52	0.0	-82.32	393.65	4.54	-77.78
CCC[C@H](O)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789162	0	55	0.0	-84.68	401.06	2.87	-81.81
CCC[C@H](O)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789162	1	55	0.0	-85.93	405.35	2.73	-83.20
CC(C)[C@H](O)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789163	0	55	0.0	-55.47	400.85	2.46	-53.01
CC(C)[C@H](O)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789163	1	55	0.0	-72.53	388.81	1.93	-70.60
CC(C)C(CO)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789164	0	58	0.0	-87.28	414.58	2.29	-84.99
CC(C)C(CO)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789164	1	58	0.0	-87.41	415.15	2.35	-85.06
CCOC=CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789165	0	53	0.0	-54.97	399.58	2.98	-51.99
CCOC=CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789165	1	53	0.0	-81.39	399.05	3.79	-77.60
CCN1CCC1C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789166	0	57	0.0	-62.90	397.02	2.34	-60.56
CCN1CCC1C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789166	1	57	0.0	-73.69	402.54	1.96	-71.73
C[N@@H+]1CCC(NC(=O)C2CCCC2O)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789167	0	56	0.0	-82.24	397.22	1.88	-80.36
C[N@H+]1CCC(NC(=O)C2CCCC2O)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789167	1	56	0.0	-76.74	400.19	2.75	-73.99
C[C@@H](O)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789168	0	49	0.0	-87.53	362.94	1.08	-86.45
C[C@@H](O)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789168	1	49	0.0	-76.02	351.12	0.53	-75.49
C[N@@H+]1CCC(NC(=O)CC(O)C(N)=O)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789169	0	53	0.0	-71.48	390.58	-1.43	-72.91
C[N@H+]1CCC(NC(=O)CC(O)C(N)=O)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789169	1	53	0.0	-68.41	400.04	-1.76	-70.17
CCC(C)=C(C)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789170	0	58	0.0	-85.51	416.80	5.96	-79.55
CCC(C)=C(C)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789170	1	58	0.0	-80.01	411.63	5.71	-74.30
C[N@@H+]1CCC(NC(=O)CCC(C)(C)O)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789171	0	58	0.0	-84.44	422.60	2.11	-82.33
C[N@H+]1CCC(NC(=O)CCC(C)(C)O)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789171	1	58	0.0	-79.49	420.16	2.51	-76.98
C[N@@H+]1CCC(NC(=O)C2=CSN=C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789172	0	48	0.0	-63.16	374.75	2.65	-60.51
C[N@H+]1CCC(NC(=O)C2=CSN=C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789172	1	48	0.0	-87.59	373.24	3.20	-84.39
CNC(=O)CCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789173	0	55	0.0	-59.00	412.70	1.06	-57.94
CNC(=O)CCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789173	1	55	0.0	-63.59	406.66	1.39	-62.20
C[N@@H+]1CCC(NC(=O)CCCCF)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789174	0	54	0.0	-60.78	396.63	4.76	-56.02
C[N@H+]1CCC(NC(=O)CCCCF)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789174	1	54	0.0	-80.41	399.88	5.42	-74.99
C[N@@H+]1CCC(NC(=O)C=CCO)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789175	0	50	0.0	-88.75	377.24	0.53	-88.22
C[N@H+]1CCC(NC(=O)C=CCO)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789175	1	50	0.0	-62.05	380.12	0.09	-61.96
C[N@@H+]1CCC(NC(=O)CC2=CN=CO2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789176	0	51	0.0	-69.95	378.95	0.97	-68.98
C[N@H+]1CCC(NC(=O)CC2=CN=CO2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789176	1	51	0.0	-94.67	387.78	1.08	-93.59
C[N@@H+]1CCC(NC(=O)CCCCO)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789177	0	55	0.0	-61.23	401.46	1.28	-59.95
C[N@H+]1CCC(NC(=O)CCCCO)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789177	1	55	0.0	-87.24	406.76	1.46	-85.78
CC1=C(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C=NO1	REAL300028789178	0	51	0.0	-85.15	384.62	4.00	-81.15
CC1=C(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C=NO1	REAL300028789178	1	51	0.0	-58.11	385.04	3.67	-54.44
CC1=CC=NC(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028789179	0	54	0.0	-58.52	409.37	3.98	-54.54
CC1=CC=NC(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028789179	1	54	0.0	-83.48	406.22	4.47	-79.01
C[N@@H+]1CCC(NC(=O)C2CNC(=O)C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789180	0	53	0.0	-95.97	393.08	0.82	-95.15
C[N@H+]1CCC(NC(=O)C2CNC(=O)C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789180	1	53	0.0	-84.41	387.10	-0.15	-84.56
C[N@@H+]1CCC(NC(=O)[C@@H]2CNC(=O)N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789181	0	52	0.0	-87.23	376.76	-1.27	-88.50
C[N@H+]1CCC(NC(=O)[C@@H]2CNC(=O)N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789181	1	52	0.0	-97.85	386.97	-1.07	-98.92
C[N@@H+]1CCC(NC(=O)C2=CN=CS2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789182	1	48	0.0	-88.64	374.63	2.88	-85.76
C[N@H+]1CCC(NC(=O)C2=CN=CS2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789182	1	48	0.0	-63.38	365.89	2.57	-60.81
CC1=CC=C(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300028789183	0	53	0.0	-90.12	396.50	4.11	-86.01
CC1=CC=C(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300028789183	1	53	0.0	-63.87	387.76	3.81	-60.06
COC1(CC(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028789184	0	56	0.0	-82.37	408.16	3.62	-78.75
COC1(CC(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028789184	1	56	0.0	-61.60	408.41	3.36	-58.24
C[N@@H+]1CCC(NC(=O)CC2CC2(F)F)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789185	0	52	0.0	-87.84	395.71	5.03	-82.81
C[N@H+]1CCC(NC(=O)CC2CC2(F)F)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789185	1	52	0.0	-93.01	395.34	4.93	-88.08
CC[C@H](C)[C@H](O)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789186	0	58	0.0	-88.21	404.76	2.87	-85.34
CC[C@H](C)[C@H](O)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789186	1	58	0.0	-82.11	410.72	3.48	-78.63
C[N@@H+]1CCC(NC(=O)[C@]23C[C@H]2[C@H](O)C3)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789187	0	54	0.0	-66.06	402.31	1.49	-64.57
C[N@H+]1CCC(NC(=O)[C@]23C[C@H]2[C@H](O)C3)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789187	1	54	0.0	-65.15	403.45	1.76	-63.39
C[N@@H+]1CCC(NC(=O)CCCCCF)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789188	0	57	0.0	-88.70	423.81	5.81	-82.89
C[N@H+]1CCC(NC(=O)CCCCCF)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789188	1	57	0.0	-81.92	421.37	6.20	-75.72
COC(F)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789189	0	49	0.0	-93.08	370.76	2.06	-91.02
COC(F)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789189	1	49	0.0	-65.26	349.05	3.33	-61.93
C[N@@H+]1CCC(NC(=O)C23CC2CC3)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789190	0	53	0.0	-58.92	385.96	5.07	-53.85
C[N@H+]1CCC(NC(=O)C23CC2CC3)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789190	1	53	0.0	-87.36	391.42	5.30	-82.06
CCCC(C)=CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789191	0	58	0.0	-57.78	428.16	5.59	-52.19
CCCC(C)=CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789191	1	58	0.0	-74.64	415.13	6.22	-68.42
C=C[C@H](C)CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789192	0	55	0.0	-86.37	403.36	5.14	-81.23
C=C[C@H](C)CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789192	1	55	0.0	-78.83	398.88	4.83	-74.00
C[N@@H+]1CCC(NC(=O)C=CC2CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789193	0	53	0.0	-84.88	398.12	5.45	-79.43
C[N@H+]1CCC(NC(=O)C=CC2CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789193	1	53	0.0	-54.33	399.32	5.26	-49.07
CC=C(CC)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789194	0	55	0.0	-84.38	394.05	5.27	-79.11
CC=C(CC)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789194	1	55	0.0	-76.55	380.30	5.21	-71.34
C[N@@H+]1CCC(NC(=O)CC23CC(C2)C3)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789195	0	56	0.0	-59.62	400.78	5.80	-53.82
C[N@H+]1CCC(NC(=O)CC23CC(C2)C3)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789195	1	56	0.0	-82.48	402.87	5.68	-76.80
C#CCC(CC#C)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789196	0	55	0.0	-59.99	410.84	6.26	-53.73
C#CCC(CC#C)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789196	1	55	0.0	-82.38	414.57	6.18	-76.20
CCC(C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C(C)O	REAL300028789197	0	58	0.0	-77.93	402.72	2.49	-75.44
CCC(C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C(C)O	REAL300028789197	1	58	0.0	-59.89	416.69	1.72	-58.17
C[C@@H](C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C(C)(C)O	REAL300028789198	0	58	0.0	-73.89	394.65	1.53	-72.36
C[C@@H](C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C(C)(C)O	REAL300028789198	1	58	0.0	-75.52	399.68	2.73	-72.79
C[N@@H+]1CCC(NC(=O)C23CC(C2)OC3)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789199	0	54	0.0	-63.94	387.25	2.99	-60.95
C[N@H+]1CCC(NC(=O)C23CC(C2)OC3)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789199	1	54	0.0	-59.09	397.41	2.48	-56.61
CC(O)C1CC1C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789200	0	56	0.0	-78.79	398.09	3.97	-74.82
CC(O)C1CC1C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789200	1	56	0.0	-75.67	404.49	2.08	-73.59
C[C@@H]1C[C@@]2(C(=O)NC3CC[N@H+](C)C34CCCN(C(=O)C3=CC(=O)[N-]O3)C4)C[C@@H]12	REAL300028789201	0	56	0.0	-75.99	399.25	5.96	-70.03
C[C@@H]1C[C@@]2(C(=O)NC3CC[N@@H+](C)C34CCCN(C(=O)C3=CC(=O)[N-]O3)C4)C[C@@H]12	REAL300028789201	1	56	0.0	-81.09	410.92	6.12	-74.97
C[N@@H+]1CCC(NC(=O)CN2C=NC=N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789202	0	51	0.0	-74.39	378.54	4.97	-69.42
C[N@H+]1CCC(NC(=O)CN2C=NC=N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789202	1	51	0.0	-102.16	387.33	5.10	-97.06
C[N@@H+]1CCC(NC(=O)C#CC2(C)CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789203	0	54	0.0	-57.08	413.22	5.57	-51.51
C[N@H+]1CCC(NC(=O)C#CC2(C)CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789203	1	54	0.0	-80.27	394.38	5.98	-74.29
C[N@@H+]1CCC(NC(=O)C2=CCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789204	0	50	0.0	-81.20	365.07	4.54	-76.66
C[N@H+]1CCC(NC(=O)C2=CCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789204	1	50	0.0	-57.63	374.16	4.14	-53.49
C[N@@H+]1CCC(NC(=O)C2=CC=C(F)O2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789205	0	49	0.0	-59.91	372.94	3.51	-56.40
C[N@H+]1CCC(NC(=O)C2=CC=C(F)O2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789205	1	49	0.0	-80.34	378.18	3.67	-76.67
CON=CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789206	0	49	0.0	-62.74	375.71	1.31	-61.43
CON=CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789206	1	49	0.0	-85.68	370.05	1.76	-83.92
CN(CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C(N)=O	REAL300028789207	0	54	0.0	-97.46	402.67	0.75	-96.71
CN(CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C(N)=O	REAL300028789207	1	54	0.0	-67.52	393.58	0.63	-66.89
C[N@@H+]1CCC(NC(=O)COCCO)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789209	0	53	0.0	-94.23	398.67	0.53	-93.70
C[N@H+]1CCC(NC(=O)COCCO)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789209	1	53	0.0	-93.51	398.30	0.44	-93.07
CC(C)[C@@H](O)CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789210	0	58	0.0	-90.35	421.45	2.96	-87.39
CC(C)[C@@H](O)CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789210	1	58	0.0	-64.79	410.12	3.00	-61.79
C[N@@H+]1CCC(NC(=O)C2=NOCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789211	0	50	0.0	-78.38	366.70	2.71	-75.67
C[N@H+]1CCC(NC(=O)C2=NOCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789211	1	50	0.0	-53.92	377.29	1.60	-52.32
CC(C[NH+](C)C)C(=O)NC1CCN(C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789212	1	59	0.0	-52.23	417.56	2.97	-49.26
C[N@@H+]1CCC(NC(=O)C2=NN=CS2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789213	1	47	0.0	-71.84	342.87	2.56	-69.28
C[N@H+]1CCC(NC(=O)C2=NN=CS2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789213	1	47	0.0	-77.86	357.71	2.39	-75.47
C[N@@H+]1CCC(NC(=O)C(F)C2CCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789214	0	55	0.0	-59.86	405.52	4.76	-55.10
C[N@H+]1CCC(NC(=O)C(F)C2CCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789214	1	55	0.0	-74.23	389.44	5.51	-68.72
C[N@@H+]1CCC(NC(=O)C2CC(C)(C)O2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789215	0	56	0.0	-84.49	400.80	4.07	-80.42
C[N@H+]1CCC(NC(=O)C2CC(C)(C)O2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789215	1	56	0.0	-67.94	396.85	4.47	-63.47
C#CC1=CC=C(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300028789216	0	51	0.0	-61.06	394.30	4.70	-56.36
C#CC1=CC=C(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300028789216	1	51	0.0	-83.73	399.55	4.86	-78.87
CC1CC(C(=O)NC2CC[N@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=NO1	REAL300028789217	0	53	0.0	-53.58	398.37	2.36	-51.22
CC1CC(C(=O)NC2CC[N@@H+](C)C23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=NO1	REAL300028789217	1	53	0.0	-78.87	387.78	3.46	-75.41
C[N@@H+]1CCC(NC(=O)C2CC(C)(F)C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789218	0	55	0.0	-92.35	405.72	5.27	-87.08
C[N@H+]1CCC(NC(=O)C2CC(C)(F)C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789218	1	55	0.0	-61.35	400.61	5.19	-56.16
COCC(O)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789219	0	53	0.0	-85.06	383.49	0.67	-84.39
COCC(O)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789219	1	53	0.0	-62.98	399.25	-0.18	-63.16
COC(C)C(O)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789220	0	56	0.0	-92.47	414.60	1.24	-91.23
COC(C)C(O)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789220	1	56	0.0	-55.81	410.48	0.90	-54.91
C[N@@H+]1CCC(NC(=O)[C@H]2CNC(=O)N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789221	0	52	0.0	-72.60	383.11	-1.47	-74.07
C[N@H+]1CCC(NC(=O)[C@H]2CNC(=O)N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789221	1	52	0.0	-102.47	387.80	-1.35	-103.82
CCSC(C)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789222	0	55	0.0	-89.12	415.70	5.44	-83.68
CCSC(C)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789222	1	55	0.0	-61.24	409.99	4.95	-56.29
CC1CCN1CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789223	0	57	0.0	-89.77	416.21	2.17	-87.60
CC1CCN1CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789223	1	57	0.0	-86.69	409.65	1.90	-84.79
C[N@@H+]1CCC(NC(=O)COC2CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789224	0	53	0.0	-66.11	388.46	4.23	-61.88
C[N@H+]1CCC(NC(=O)COC2CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789224	1	53	0.0	-63.00	398.03	3.85	-59.15
C[N@@H+]1CCC(NC(=O)C2=NC=CN2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789225	0	49	0.0	-77.65	360.98	3.14	-74.51
C[N@H+]1CCC(NC(=O)C2=NC=CN2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789225	1	49	0.0	-81.20	370.59	2.28	-78.92
C[N@@H+]1CCC(NC(=O)C=CC2CCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789226	0	56	0.0	-79.34	409.56	5.94	-73.40
C[N@H+]1CCC(NC(=O)C=CC2CCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789226	1	56	0.0	-80.30	413.37	5.69	-74.61
CCCC=CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789227	0	55	0.0	-80.44	407.54	5.12	-75.32
CCCC=CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789227	1	55	0.0	-84.07	408.57	5.69	-78.38
CC=C(F)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789228	0	49	0.0	-58.35	374.06	3.43	-54.92
CC=C(F)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789228	1	49	0.0	-77.45	364.86	3.91	-73.54
CCC(C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C(C)C	REAL300028789229	0	60	0.0	-87.29	427.71	5.87	-81.42
CCC(C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C(C)C	REAL300028789229	1	60	0.0	-58.53	422.98	5.67	-52.86
C[N@@H+]1CCC(NC(=O)C(F)=C2CCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789230	0	53	0.0	-57.64	399.89	4.74	-52.90
C[N@H+]1CCC(NC(=O)C(F)=C2CCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789230	1	53	0.0	-80.00	396.97	5.33	-74.67
CCC(CO)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789231	0	55	0.0	-64.54	376.48	1.46	-63.08
CCC(CO)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789231	1	55	0.0	-78.03	385.72	2.64	-75.39
C[N@@H+]1CCC(NC(=O)C(F)C(C)(C)O)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789232	0	55	0.0	-62.21	409.37	1.98	-60.23
C[N@H+]1CCC(NC(=O)C(F)C(C)(C)O)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789232	1	55	0.0	-91.44	406.46	2.63	-88.81
CC(CO)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789233	0	52	0.0	-82.58	379.28	0.33	-82.25
CC(CO)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789233	1	52	0.0	-58.34	383.37	0.12	-58.22
C[N@@H+]1CCC(NC(=O)C2=CON=C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789234	0	48	0.0	-65.41	360.37	2.85	-62.56
C[N@H+]1CCC(NC(=O)C2=CON=C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789234	1	48	0.0	-79.77	354.65	3.01	-76.76
C[N@@H+]1CCC(NC(=O)[C@@H]2C[C@H]2CF)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789235	0	52	0.0	-63.53	384.90	4.57	-58.96
C[N@H+]1CCC(NC(=O)[C@@H]2C[C@H]2CF)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789235	1	52	0.0	-62.97	381.53	4.77	-58.20
C[N@@H+]1CCC(NC(=O)C2=COCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789236	0	51	0.0	-72.70	357.83	2.69	-70.01
C[N@H+]1CCC(NC(=O)C2=COCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789236	1	51	0.0	-84.80	379.30	3.42	-81.38
C[C@H](O)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789237	0	49	0.0	-66.34	353.49	1.11	-65.23
C[C@H](O)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789237	1	49	0.0	-77.16	352.56	0.46	-76.70
C[N@@H+]1CCC(NC(=O)C2=CC(F)=NN2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789238	0	49	0.0	-85.58	370.07	1.78	-83.80
C[N@H+]1CCC(NC(=O)C2=CC(F)=NN2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789238	1	49	0.0	-87.53	376.90	2.15	-85.38
C[N@@H+]1CCC(NC(=O)C2C=CCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789239	0	53	0.0	-85.20	383.55	5.07	-80.13
C[N@H+]1CCC(NC(=O)C2C=CCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789239	1	53	0.0	-62.66	365.81	5.14	-57.52
CC(O)C(C)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789240	0	55	0.0	-87.39	392.93	2.50	-84.89
CC(O)C(C)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789240	1	55	0.0	-75.44	389.48	2.40	-73.04
C=C1CC1C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789241	0	50	0.0	-58.96	379.18	4.00	-54.96
C=C1CC1C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789241	1	50	0.0	-86.65	376.28	4.57	-82.08
C[N@@H+]1CCC(NC(=O)CC2CC=CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789242	0	56	0.0	-59.76	403.06	5.59	-54.17
C[N@H+]1CCC(NC(=O)CC2CC=CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789242	1	56	0.0	-87.24	408.39	5.77	-81.47
CN1CCC(NC(=O)CSC(N)=[NH2+])C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789243	1	51	0.0	-52.38	387.58	-1.69	-54.07
C[N@@H+]1CCC(NC(=O)CCC[N+](=O)[O-])C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789244	0	53	0.0	-67.17	397.64	4.25	-62.92
C[N@H+]1CCC(NC(=O)CCC[N+](=O)[O-])C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789244	1	53	0.0	-87.35	400.88	4.90	-82.45
CC(CF)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789245	0	51	0.0	-81.77	374.68	3.75	-78.02
CC(CF)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789245	1	51	0.0	-60.51	380.80	3.53	-56.98
C[N@@H+]1CCC(NC(=O)C2=CC(C)(C)C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789246	0	56	0.0	-81.49	405.94	5.62	-75.87
C[N@H+]1CCC(NC(=O)C2=CC(C)(C)C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789246	1	56	0.0	-82.70	411.62	5.45	-77.25
C[N@@H+]1CCC(NC(=O)[C@@H]2CC2(F)F)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789247	0	49	0.0	-64.57	369.86	3.93	-60.64
C[N@H+]1CCC(NC(=O)[C@@H]2CC2(F)F)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789247	1	49	0.0	-63.33	369.42	4.09	-59.24
CC(=O)NCCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789248	0	55	0.0	-69.03	407.85	1.38	-67.65
CC(=O)NCCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789248	1	55	0.0	-70.45	413.60	1.07	-69.38
C[N@@H+]1CCC(NC(=O)C2=CNC(=O)N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789249	0	50	0.0	-83.19	373.03	0.37	-82.82
C[N@H+]1CCC(NC(=O)C2=CNC(=O)N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789249	1	50	0.0	-85.35	379.85	0.60	-84.75
CC1CCCC1C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789250	0	58	0.0	-78.44	410.38	5.53	-72.91
CC1CCCC1C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789250	1	58	0.0	-78.16	395.25	4.90	-73.26
C=C(C)CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789251	0	52	0.0	-86.17	387.27	4.55	-81.62
C=C(C)CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789251	1	52	0.0	-62.94	368.49	4.78	-58.16
CCSCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789252	0	52	0.0	-90.46	396.88	4.57	-85.89
CCSCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789252	1	52	0.0	-61.70	391.54	4.40	-57.30
CC(C)=C(C)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789253	0	55	0.0	-83.22	396.22	5.50	-77.72
CC(C)=C(C)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789253	1	55	0.0	-86.73	401.97	5.32	-81.41
CCCC(O)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789254	0	55	0.0	-66.40	374.44	1.71	-64.69
CCCC(O)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789254	1	55	0.0	-88.00	405.36	2.75	-85.25
CCCCC(O)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789255	0	58	0.0	-81.42	413.75	3.76	-77.66
CCCCC(O)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789255	1	58	0.0	-61.00	429.39	2.90	-58.10
COC(C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C(C)O	REAL300028789256	0	56	0.0	-95.38	411.00	1.06	-94.32
COC(C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C(C)O	REAL300028789256	1	56	0.0	-91.11	411.62	1.56	-89.55
C[N@@H+]1CCC(NC(=O)CSC2CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789257	0	53	0.0	-64.33	398.63	5.26	-59.07
C[N@H+]1CCC(NC(=O)CSC2CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789257	1	53	0.0	-60.97	408.20	4.88	-56.09
CCC(O)CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789258	0	55	0.0	-90.90	404.52	2.38	-88.52
CCC(O)CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789258	1	55	0.0	-90.16	404.89	2.48	-87.68
CC(Cl)=CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789259	0	49	0.0	-79.44	373.43	4.34	-75.10
CC(Cl)=CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789259	1	49	0.0	-59.60	378.80	3.84	-55.76
CC=CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789260	0	49	0.0	-57.31	366.82	3.34	-53.97
CC=CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789260	1	49	0.0	-78.94	361.15	3.83	-75.11
C[N@@H+]1CCC(NC(=O)[C@H]2C[C@@H](O)C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789261	0	53	0.0	-93.76	390.27	1.08	-92.68
C[N@H+]1CCC(NC(=O)[C@H]2C[C@@H](O)C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789261	1	53	0.0	-83.26	379.90	0.57	-82.69
C[N@@H+]1CCC(NC(=O)CC2CC2(C)C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789262	0	58	0.0	-86.83	423.68	6.03	-80.80
C[N@H+]1CCC(NC(=O)CC2CC2(C)C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789262	1	58	0.0	-62.62	404.94	6.27	-56.35
CC(NC(N)=O)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789263	0	54	0.0	-84.22	399.69	-0.84	-85.06
CC(NC(N)=O)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789263	1	54	0.0	-85.17	403.72	-0.99	-86.16
C=C(C)CCCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789264	0	58	0.0	-87.01	430.16	6.12	-80.89
C=C(C)CCCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789264	1	58	0.0	-87.39	429.77	6.02	-81.37
C[C@@H]1C[C@H]1C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789265	0	52	0.0	-85.86	384.32	4.76	-81.10
C[C@@H]1C[C@H]1C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789265	1	52	0.0	-78.93	379.84	4.60	-74.33
C[N@@H+]1CCC(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]32)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789266	0	56	0.0	-86.02	401.65	5.78	-80.24
C[N@H+]1CCC(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]32)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789266	1	56	0.0	-62.55	382.60	6.01	-56.54
C[N@@H+]1CCC(NC(=O)COC2COC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789267	0	54	0.0	-67.65	395.89	2.03	-65.62
C[N@H+]1CCC(NC(=O)COC2COC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789267	1	54	0.0	-97.47	404.72	2.55	-94.92
C[C@@H]1C[C@]2(C(=O)NC3CC[N@H+](C)C34CCCN(C(=O)C3=CC(=O)[N-]O3)C4)C[C@H]12	REAL300028789268	0	56	0.0	-81.77	408.20	5.07	-76.70
C[C@@H]1C[C@]2(C(=O)NC3CC[N@@H+](C)C34CCCN(C(=O)C3=CC(=O)[N-]O3)C4)C[C@H]12	REAL300028789268	1	56	0.0	-59.43	405.13	5.83	-53.60
CNC(=O)CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789269	0	52	0.0	-102.06	388.44	2.27	-99.79
CNC(=O)CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789269	1	52	0.0	-100.97	388.81	2.38	-98.59
C=CC=CCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789270	0	53	0.0	-63.15	391.68	5.10	-58.05
C=CC=CCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789270	1	53	0.0	-88.37	400.51	5.22	-83.15
CN1CCC[C@H]1C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789271	0	57	0.0	-81.90	405.63	2.08	-79.82
CN1CCC[C@H]1C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789271	1	57	0.0	-62.04	398.76	1.94	-60.10
C[N@@H+]1CCC(NC(=O)C2CC=CCO2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789272	0	54	0.0	-78.00	386.49	3.91	-74.09
C[N@H+]1CCC(NC(=O)C2CC=CCO2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789272	1	54	0.0	-65.17	374.86	4.53	-60.64
C[N@@H+]1CCC(NC(=O)CCOC2CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789273	0	56	0.0	-60.70	412.91	3.95	-56.75
C[N@H+]1CCC(NC(=O)CCOC2CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789273	1	56	0.0	-85.05	418.50	4.13	-80.92
C[N@@H+]1CCC(NC(=O)CCCCCO)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789274	0	58	0.0	-62.11	422.96	2.06	-60.05
C[N@H+]1CCC(NC(=O)CCCCCO)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789274	1	58	0.0	-84.05	426.20	2.73	-81.32
C[N@@H+]1CCC(NC(=O)C2=CSC=N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789275	0	48	0.0	-75.58	364.81	3.49	-72.09
C[N@H+]1CCC(NC(=O)C2=CSC=N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789275	1	48	0.0	-75.42	360.27	3.56	-71.86
C[N@@H+]1CCC(NC(=O)CCC(N)=O)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789276	0	52	0.0	-63.54	384.72	-0.09	-63.63
C[N@H+]1CCC(NC(=O)CCC(N)=O)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789276	1	52	0.0	-58.96	390.77	-0.42	-59.38
C[N@@H+]1CCC(NC(=O)COC(F)F)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789277	0	49	0.0	-62.84	371.33	2.79	-60.05
C[N@H+]1CCC(NC(=O)COC(F)F)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789277	1	49	0.0	-60.60	377.29	2.51	-58.09
COC(C)(C)CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789278	0	58	0.0	-56.23	415.28	4.34	-51.89
COC(C)(C)CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789278	1	58	0.0	-62.74	405.54	4.36	-58.38
CC(O)CCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789279	0	55	0.0	-79.31	403.59	2.00	-77.31
CC(O)CCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789279	1	55	0.0	-84.33	406.02	1.61	-82.72
CCS(O)=CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789280	0	53	0.0	-63.50	406.52	0.27	-63.23
CCS(O)=CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789280	1	53	0.0	-86.82	403.65	0.72	-86.10
C#CCC(C)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789281	0	53	0.0	-82.33	394.30	4.80	-77.53
C#CCC(C)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789281	1	53	0.0	-58.47	398.39	4.59	-53.88
CC(CCO)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789282	0	55	0.0	-84.66	392.37	0.25	-84.41
CC(CCO)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789282	1	55	0.0	-90.51	401.67	1.23	-89.28
C[N@@H+]1CCC(NC(=O)C(F)=CC2CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789283	0	53	0.0	-79.34	402.65	5.52	-73.82
C[N@H+]1CCC(NC(=O)C(F)=CC2CC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789283	1	53	0.0	-79.03	402.69	5.81	-73.22
C[N@@H+]1CCC(NC(=O)CC2CC(F)C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789284	0	55	0.0	-62.55	401.52	5.22	-57.33
C[N@H+]1CCC(NC(=O)CC2CC(F)C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789284	1	55	0.0	-87.46	407.04	5.47	-81.99
C[N@@H+]1CCC(NC(=O)[C@H](O)CF)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789285	0	49	0.0	-86.37	362.45	1.22	-85.15
C[N@H+]1CCC(NC(=O)[C@H](O)CF)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789285	1	49	0.0	-64.28	372.62	0.76	-63.52
CN1C=NN=C1C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789286	0	51	0.0	-80.89	384.00	4.64	-76.25
CN1C=NN=C1C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789286	1	51	0.0	-81.96	374.45	5.20	-76.76
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1CC1)C2	REAL300028789287	0	52	0.0	-61.56	387.23	4.32	-57.24
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1CC1)C2	REAL300028789287	1	52	0.0	-72.98	386.42	5.27	-67.71
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(C)(C)F)C2	REAL300028789288	0	51	0.0	-58.54	376.82	3.19	-55.35
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(C)(C)F)C2	REAL300028789288	1	51	0.0	-76.27	375.69	4.10	-72.17
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(C)(F)F)C2	REAL300028789289	1	48	0.0	-62.66	358.74	3.38	-59.28
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(C)(F)F)C2	REAL300028789289	1	48	0.0	-61.73	354.89	3.51	-58.22
COCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789290	0	49	0.0	-82.11	356.41	3.57	-78.54
COCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789290	1	49	0.0	-81.90	356.30	3.56	-78.34
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC=CC=N1)C2	REAL300028789291	0	51	0.0	-62.88	379.49	4.30	-58.58
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC=CC=N1)C2	REAL300028789291	1	51	0.0	-72.30	385.61	4.57	-67.73
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC=NC=C1)C2	REAL300028789292	0	51	0.0	-64.71	384.65	3.12	-61.59
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC=NC=C1)C2	REAL300028789292	1	51	0.0	-65.08	377.33	3.65	-61.43
CCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789293	0	51	0.0	-72.59	376.97	4.49	-68.10
CCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789293	1	51	0.0	-64.22	380.49	3.72	-60.50
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC=CN=C1)C2	REAL300028789294	0	51	0.0	-79.23	384.98	3.67	-75.56
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC=CN=C1)C2	REAL300028789294	1	51	0.0	-74.38	383.92	3.62	-70.76
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC=CO1)C2	REAL300028789295	0	49	0.0	-82.13	361.43	4.82	-77.31
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC=CO1)C2	REAL300028789295	1	49	0.0	-83.37	372.15	3.86	-79.51
CC(=O)NCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789296	0	52	0.0	-67.24	384.95	1.04	-66.20
CC(=O)NCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789296	1	52	0.0	-76.60	379.03	2.49	-74.11
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC=CC=C1)C2	REAL300028789297	0	52	0.0	-86.51	369.46	6.42	-80.09
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC=CC=C1)C2	REAL300028789297	1	52	0.0	-65.86	391.80	5.38	-60.48
CC(C)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789298	0	54	0.0	-77.73	374.11	5.89	-71.84
CC(C)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789298	1	54	0.0	-70.93	393.01	4.84	-66.09
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCCCC1)C2	REAL300028789299	0	58	0.0	-82.55	397.08	6.85	-75.70
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCCCC1)C2	REAL300028789299	1	58	0.0	-73.63	416.80	6.14	-67.49
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CN=CC=N1)C2	REAL300028789300	0	50	0.0	-81.63	369.85	3.70	-77.93
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CN=CC=N1)C2	REAL300028789300	1	50	0.0	-68.35	380.30	2.68	-65.67
CC1=CC=CC=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789301	0	55	0.0	-79.35	398.48	7.19	-72.16
CC1=CC=CC=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789301	1	55	0.0	-60.71	410.34	5.44	-55.27
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1CCCC1)C2	REAL300028789302	0	58	0.0	-64.63	409.52	6.03	-58.60
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1CCCC1)C2	REAL300028789302	1	58	0.0	-79.47	399.08	7.17	-72.30
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC=CS1)C2	REAL300028789303	0	49	0.0	-80.40	369.01	5.54	-74.86
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC=CS1)C2	REAL300028789303	1	49	0.0	-81.15	377.30	4.10	-77.05
CC1CC1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789304	0	52	0.0	-66.60	382.34	4.89	-61.71
CC1CC1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789304	1	52	0.0	-79.54	368.38	5.84	-73.70
CC1=CC=CC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)=C1	REAL300028789305	0	55	0.0	-63.23	405.89	5.92	-57.31
CC1=CC=CC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)=C1	REAL300028789305	1	55	0.0	-86.53	389.49	7.16	-79.37
CCOCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789306	0	52	0.0	-70.81	391.11	3.68	-67.13
CCOCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789306	1	52	0.0	-82.31	377.90	4.52	-77.79
CC(C)=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789307	0	52	0.0	-70.47	383.72	4.80	-65.67
CC(C)=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789307	1	52	0.0	-77.00	379.80	4.44	-72.56
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=COCCO1)C2	REAL300028789308	0	52	0.0	-64.15	387.57	2.36	-61.79
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=COCCO1)C2	REAL300028789308	1	52	0.0	-83.54	382.55	3.76	-79.78
CC(=O)NC(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789309	0	55	0.0	-76.07	412.51	1.80	-74.27
CC(=O)NC(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789309	1	55	0.0	-76.16	412.45	1.82	-74.34
CC1=CC=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)O1	REAL300028789310	0	52	0.0	-63.83	396.48	3.98	-59.85
CC1=CC=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)O1	REAL300028789310	1	52	0.0	-61.86	384.83	4.44	-57.42
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCCO1)C2	REAL300028789311	0	53	0.0	-65.84	378.57	3.77	-62.07
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCCO1)C2	REAL300028789311	1	53	0.0	-65.98	379.08	3.76	-62.22
CSCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789312	0	49	0.0	-81.00	361.47	5.18	-75.82
CSCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789312	1	49	0.0	-81.03	361.99	5.19	-75.84
CC1=CC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)=NO1	REAL300028789313	0	51	0.0	-82.71	360.79	5.02	-77.69
CC1=CC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)=NO1	REAL300028789313	1	51	0.0	-74.06	388.24	4.16	-69.90
CSCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789314	0	52	0.0	-73.84	400.21	4.96	-68.88
CSCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789314	1	52	0.0	-72.65	399.51	4.70	-67.95
CC(C)CCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789315	0	57	0.0	-72.61	416.04	5.79	-66.82
CC(C)CCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789315	1	57	0.0	-71.49	415.35	5.53	-65.96
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CSC=C1)C2	REAL300028789316	0	49	0.0	-82.85	381.05	4.05	-78.80
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CSC=C1)C2	REAL300028789316	1	49	0.0	-60.89	371.12	4.37	-56.52
CC1=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)C=CO1	REAL300028789317	0	52	0.0	-75.75	392.73	4.62	-71.13
CC1=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)C=CO1	REAL300028789317	1	52	0.0	-64.25	391.87	3.73	-60.52
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1C=CCC1)C2	REAL300028789318	0	56	0.0	-67.82	405.40	5.91	-61.91
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1C=CCC1)C2	REAL300028789318	1	56	0.0	-63.53	402.09	5.97	-57.56
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CN1C=NN=N1)C2	REAL300028789319	0	50	0.0	-79.46	375.06	2.89	-76.57
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CN1C=NN=N1)C2	REAL300028789319	1	50	0.0	-89.09	384.26	3.21	-85.88
CN1C=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)C=N1	REAL300028789320	0	52	0.0	-75.88	393.90	3.24	-72.64
CN1C=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)C=N1	REAL300028789320	1	52	0.0	-80.52	394.14	2.76	-77.76
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC=CCC1)C2	REAL300028789321	0	56	0.0	-73.34	407.38	6.00	-67.34
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC=CCC1)C2	REAL300028789321	1	56	0.0	-80.48	404.82	5.51	-74.97
CC1=NOC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)=C1	REAL300028789322	0	51	0.0	-82.91	360.83	4.67	-78.24
CC1=NOC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)=C1	REAL300028789322	1	51	0.0	-77.54	388.60	3.73	-73.81
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC=CN1)C2	REAL300028789323	0	50	0.0	-84.27	364.20	4.93	-79.34
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC=CN1)C2	REAL300028789323	1	50	0.0	-61.79	376.67	3.13	-58.66
CC(=O)CCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789324	0	56	0.0	-77.70	420.86	4.93	-72.77
CC(=O)CCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789324	1	56	0.0	-78.85	421.67	5.19	-73.66
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=COC=C1)C2	REAL300028789325	0	49	0.0	-74.69	371.54	3.49	-71.20
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=COC=C1)C2	REAL300028789325	1	49	0.0	-67.55	372.52	3.53	-64.02
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CN1C=CC=N1)C2	REAL300028789326	0	52	0.0	-69.06	386.49	3.79	-65.27
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CN1C=CC=N1)C2	REAL300028789326	1	52	0.0	-78.82	378.11	5.11	-73.71
CC1=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)OC=C1	REAL300028789327	0	52	0.0	-81.71	371.17	5.81	-75.90
CC1=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)OC=C1	REAL300028789327	1	52	0.0	-81.42	373.31	5.62	-75.80
CCCCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789328	0	57	0.0	-72.59	419.97	6.05	-66.54
CCCCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789328	1	57	0.0	-64.21	422.81	5.25	-58.96
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC(C)(C)C)C2	REAL300028789329	0	57	0.0	-79.41	396.80	6.47	-72.94
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC(C)(C)C)C2	REAL300028789329	1	57	0.0	-62.92	399.65	5.35	-57.57
CC1=CC=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)C=N1	REAL300028789330	0	54	0.0	-65.15	401.06	4.10	-61.05
CC1=CC=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)C=N1	REAL300028789330	1	54	0.0	-74.53	405.48	4.23	-70.30
CN1C=CC=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789331	0	53	0.0	-79.43	392.07	4.64	-74.79
CN1C=CC=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789331	1	53	0.0	-60.17	394.29	4.46	-55.71
CCCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789332	0	54	0.0	-72.64	398.47	5.27	-67.37
CCCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789332	1	54	0.0	-71.48	397.77	5.01	-66.47
CC1=CC=CC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)=N1	REAL300028789333	0	54	0.0	-89.31	378.18	6.08	-83.23
CC1=CC=CC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)=N1	REAL300028789333	1	54	0.0	-65.98	408.04	5.00	-60.98
CC(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789334	0	51	0.0	-73.11	374.97	4.24	-68.87
CC(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789334	1	51	0.0	-60.34	375.23	3.28	-57.06
CCC(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789335	0	54	0.0	-71.29	393.49	4.72	-66.57
CCC(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789335	1	54	0.0	-62.25	380.30	4.54	-57.71
CC(C)SCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789336	0	55	0.0	-81.93	401.27	6.70	-75.23
CC(C)SCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789336	1	55	0.0	-65.99	420.94	4.90	-61.09
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CSCC#N)C2	REAL300028789337	0	50	0.0	-87.74	382.80	5.81	-81.93
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CSCC#N)C2	REAL300028789337	1	50	0.0	-87.68	382.30	5.82	-81.86
CC(=O)N(C)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789338	0	55	0.0	-77.90	413.58	3.43	-74.47
CC(=O)N(C)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789338	1	55	0.0	-63.29	404.13	3.44	-59.85
CCC(CC)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789339	0	57	0.0	-73.17	412.91	5.53	-67.64
CCC(CC)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789339	1	57	0.0	-61.47	407.63	4.50	-56.97
CC(C)OCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789340	0	58	0.0	-74.18	431.27	4.51	-69.67
CC(C)OCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789340	1	58	0.0	-73.05	430.58	4.25	-68.80
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1COCCO1)C2	REAL300028789341	0	54	0.0	-67.09	381.84	2.37	-64.72
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1COCCO1)C2	REAL300028789341	1	54	0.0	-78.94	395.83	2.88	-76.06
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC=NN1)C2	REAL300028789342	0	49	0.0	-79.35	369.36	2.56	-76.79
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC=NN1)C2	REAL300028789342	1	49	0.0	-83.38	367.28	2.01	-81.37
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=NNC=C1)C2	REAL300028789342	1	49	0.0	-79.17	361.08	3.64	-75.53
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=NNC=C1)C2	REAL300028789342	1	49	0.0	-61.70	361.16	2.47	-59.23
CSC(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789343	0	52	0.0	-75.63	395.14	4.50	-71.13
CSC(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789343	1	52	0.0	-75.33	393.42	4.34	-70.99
CCOC(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789344	0	55	0.0	-90.79	406.05	4.35	-86.44
CCOC(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789344	1	55	0.0	-75.03	405.40	4.32	-70.71
CCOCCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789345	0	58	0.0	-74.86	432.50	4.53	-70.33
CCOCCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789345	1	58	0.0	-73.71	431.80	4.27	-69.44
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)COCC1CC1)C2	REAL300028789346	0	56	0.0	-81.78	409.63	6.10	-75.68
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)COCC1CC1)C2	REAL300028789346	1	56	0.0	-84.02	409.99	6.10	-77.92
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1CCCO1)C2	REAL300028789347	0	56	0.0	-72.46	410.86	4.45	-68.01
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1CCCO1)C2	REAL300028789347	1	56	0.0	-65.69	402.29	4.37	-61.32
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CNN=C1)C2	REAL300028789348	0	49	0.0	-66.83	365.00	1.71	-65.12
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CNN=C1)C2	REAL300028789348	1	49	0.0	-75.26	370.97	1.94	-73.32
COCCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789349	0	55	0.0	-74.88	410.64	3.56	-71.32
COCCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789349	1	55	0.0	-73.76	409.95	3.30	-70.46
CCSCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789350	0	55	0.0	-73.85	421.67	5.85	-68.00
CCSCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789350	1	55	0.0	-72.57	420.99	5.59	-66.98
CCOC1CC1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789351	0	56	0.0	-78.85	417.98	3.98	-74.87
CCOC1CC1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789351	1	56	0.0	-77.83	403.10	5.14	-72.69
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=NSN=C1)C2	REAL300028789352	0	47	0.0	-85.67	339.62	2.87	-82.80
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=NSN=C1)C2	REAL300028789352	1	47	0.0	-63.35	369.33	2.01	-61.34
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CN=NS1)C2	REAL300028789353	1	47	0.0	-85.86	359.74	3.21	-82.65
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CN=NS1)C2	REAL300028789353	1	47	0.0	-82.25	369.49	2.26	-79.99
COC(=O)NCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789354	0	53	0.0	-81.07	389.66	1.91	-79.16
COC(=O)NCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789354	1	53	0.0	-67.51	395.77	0.46	-67.05
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=NOC=C1)C2	REAL300028789355	0	48	0.0	-83.39	337.52	4.18	-79.21
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=NOC=C1)C2	REAL300028789355	1	48	0.0	-74.29	366.30	3.32	-70.97
CCCSCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789356	0	55	0.0	-81.81	404.45	6.87	-74.94
CCCSCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789356	1	55	0.0	-81.82	404.95	6.87	-74.95
CC(=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C)C1CC1	REAL300028789357	0	56	0.0	-78.72	406.78	6.15	-72.57
CC(=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C)C1CC1	REAL300028789357	1	56	0.0	-78.09	407.94	5.89	-72.20
CC1=NNC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)=C1	REAL300028789358	0	52	0.0	-79.82	391.29	3.13	-76.69
CC1=NNC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)=C1	REAL300028789358	1	52	0.0	-84.04	389.20	2.60	-81.44
CC1=CC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)=NN1	REAL300028789358	1	52	0.0	-62.52	395.39	2.51	-60.01
CC1=CC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)=NN1	REAL300028789358	1	52	0.0	-61.98	383.46	2.98	-59.00
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CN=CS1)C2	REAL300028789359	1	48	0.0	-79.65	375.64	2.86	-76.79
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CN=CS1)C2	REAL300028789359	1	48	0.0	-66.90	367.32	2.45	-64.45
CCC=C(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789360	0	55	0.0	-79.37	398.30	4.75	-74.62
CCC=C(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789360	1	55	0.0	-82.50	390.31	5.64	-76.86
CC1=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)N=CO1	REAL300028789361	0	51	0.0	-73.49	355.17	3.46	-70.03
CC1=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)N=CO1	REAL300028789361	1	51	0.0	-66.21	386.93	2.10	-64.11
CCOC(CC)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789362	0	58	0.0	-75.42	420.44	4.92	-70.50
CCOC(CC)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789362	1	58	0.0	-65.63	426.19	4.41	-61.22
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC(F)(F)F)C2	REAL300028789363	0	48	0.0	-71.86	367.14	3.79	-68.07
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC(F)(F)F)C2	REAL300028789363	1	48	0.0	-76.92	372.90	4.15	-72.77
COC(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789364	0	52	0.0	-75.44	383.42	3.39	-72.05
COC(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789364	1	52	0.0	-75.33	382.86	3.29	-72.04
CC(C)OCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789365	0	55	0.0	-81.99	395.02	5.11	-76.88
CC(C)OCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789365	1	55	0.0	-66.78	412.99	4.01	-62.77
CCCOCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789366	0	55	0.0	-82.87	399.26	5.30	-77.57
CCCOCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789366	1	55	0.0	-82.87	399.40	5.32	-77.55
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCOC1)C2	REAL300028789367	0	53	0.0	-80.03	370.25	3.81	-76.22
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCOC1)C2	REAL300028789367	1	53	0.0	-74.57	385.89	2.86	-71.71
CN1N=CC=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789368	0	52	0.0	-66.97	381.51	3.12	-63.85
CN1N=CC=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789368	1	52	0.0	-69.76	383.49	3.10	-66.66
CCC(OC)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789369	0	55	0.0	-75.40	398.55	3.97	-71.43
CCC(OC)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789369	1	55	0.0	-73.90	404.15	4.11	-69.79
COCCCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789370	0	58	0.0	-73.98	432.14	4.34	-69.64
COCCCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789370	1	58	0.0	-65.50	434.99	3.54	-61.96
CCCC(C)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789371	0	60	0.0	-88.29	410.08	6.70	-81.59
CCCC(C)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789371	1	60	0.0	-84.80	405.70	6.44	-78.36
COC(C)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789372	0	55	0.0	-85.80	385.58	4.70	-81.10
COC(C)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789372	1	55	0.0	-75.47	385.33	5.23	-70.24
C=CCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789373	0	52	0.0	-71.98	389.09	4.79	-67.19
C=CCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789373	1	52	0.0	-73.21	389.78	5.05	-68.16
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=COCCC1)C2	REAL300028789374	0	54	0.0	-83.89	391.98	3.72	-80.17
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=COCCC1)C2	REAL300028789374	1	54	0.0	-69.07	399.17	3.82	-65.25
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCCOC1)C2	REAL300028789375	0	56	0.0	-81.45	390.26	4.32	-77.13
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCCOC1)C2	REAL300028789375	1	56	0.0	-63.08	394.46	3.39	-59.69
CCOCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789376	0	55	0.0	-74.34	411.00	3.76	-70.58
CCOCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789376	1	55	0.0	-73.00	410.31	3.50	-69.50
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CSC=N1)C2	REAL300028789377	0	48	0.0	-88.12	347.20	4.31	-83.81
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CSC=N1)C2	REAL300028789377	1	48	0.0	-76.10	362.51	4.59	-71.51
COCC(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789378	0	55	0.0	-80.71	382.86	4.07	-76.64
COCC(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789378	1	55	0.0	-79.77	386.15	4.09	-75.68
C=CCOCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789379	0	53	0.0	-83.96	391.19	5.10	-78.86
C=CCOCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789379	1	53	0.0	-80.59	391.20	5.10	-75.49
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=COC=N1)C2	REAL300028789380	0	48	0.0	-76.98	357.15	2.47	-74.51
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=COC=N1)C2	REAL300028789380	1	48	0.0	-65.59	367.30	1.26	-64.33
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@H]1CCC(=O)N1)C2	REAL300028789381	0	53	0.0	-82.83	396.53	1.51	-81.32
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@H]1CCC(=O)N1)C2	REAL300028789381	1	53	0.0	-79.84	395.72	1.48	-78.36
CC1=NC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)=CN1	REAL300028789382	0	52	0.0	-63.10	394.92	3.13	-59.97
CC1=NC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)=CN1	REAL300028789382	1	52	0.0	-60.58	383.09	3.64	-56.94
CC1=NC=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)N1	REAL300028789382	1	52	0.0	-82.63	391.32	3.64	-78.99
CC1=NC=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)N1	REAL300028789382	1	52	0.0	-88.57	388.68	3.07	-85.50
CSCC(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789383	0	55	0.0	-78.88	392.70	6.15	-72.73
CSCC(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789383	1	55	0.0	-77.79	395.88	6.16	-71.63
CN1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCC[N@@H+]1C)C2	REAL300028789384	1	57	0.0	-64.44	406.79	2.17	-62.27
CN1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCC[N@H+]1C)C2	REAL300028789384	1	57	0.0	-60.06	410.90	2.86	-57.20
CCC(=O)NCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789385	0	55	0.0	-76.86	399.23	3.30	-73.56
CCC(=O)NCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789385	1	55	0.0	-67.06	405.24	1.86	-65.20
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C=CC(C)(C)C)C2	REAL300028789386	0	58	0.0	-84.48	426.19	5.93	-78.55
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C=CC(C)(C)C)C2	REAL300028789386	1	58	0.0	-80.03	424.71	5.66	-74.37
CC(C#N)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789387	0	49	0.0	-74.61	357.30	3.34	-71.27
CC(C#N)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789387	1	49	0.0	-86.50	355.40	4.52	-81.98
COCCOCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789388	0	56	0.0	-83.02	406.41	4.01	-79.01
COCCOCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789388	1	56	0.0	-82.86	411.44	3.76	-79.10
CCCC(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789389	0	57	0.0	-73.66	413.29	5.57	-68.09
CCCC(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789389	1	57	0.0	-79.89	391.46	6.33	-73.56
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(=O)C(C)(C)C)C2	REAL300028789390	0	56	0.0	-79.33	385.85	5.74	-73.59
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(=O)C(C)(C)C)C2	REAL300028789390	1	56	0.0	-72.49	410.31	4.52	-67.97
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCC1CC1)C2	REAL300028789391	0	55	0.0	-78.80	389.02	6.95	-71.85
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCC1CC1)C2	REAL300028789391	1	55	0.0	-79.47	387.97	6.87	-72.60
CCCCOCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789392	0	58	0.0	-83.18	420.76	6.08	-77.10
CCCCOCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789392	1	58	0.0	-83.19	420.90	6.10	-77.09
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1=NOC=C1)C2	REAL300028789393	0	51	0.0	-67.73	380.53	3.77	-63.96
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1=NOC=C1)C2	REAL300028789393	1	51	0.0	-75.73	371.43	5.03	-70.70
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1CCOC1)C2	REAL300028789394	0	56	0.0	-65.02	410.09	3.31	-61.71
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1CCOC1)C2	REAL300028789394	1	56	0.0	-72.69	409.48	3.80	-68.89
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC=CC1)C2	REAL300028789395	0	53	0.0	-72.59	387.22	5.08	-67.51
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC=CC1)C2	REAL300028789395	1	53	0.0	-79.79	366.50	6.11	-73.68
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1=NNC=C1)C2	REAL300028789396	0	52	0.0	-67.30	385.36	2.84	-64.46
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1=NNC=C1)C2	REAL300028789396	1	52	0.0	-80.08	394.57	3.15	-76.93
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1=CC=NN1)C2	REAL300028789396	1	52	0.0	-71.69	398.01	2.37	-69.32
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1=CC=NN1)C2	REAL300028789396	1	52	0.0	-74.66	396.45	2.65	-72.01
CC1=CC=NC=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789397	0	54	0.0	-75.37	403.37	4.47	-70.90
CC1=CC=NC=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789397	1	54	0.0	-63.16	405.57	3.61	-59.55
CC1=CN=CC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)=C1	REAL300028789398	0	54	0.0	-90.63	406.37	4.29	-86.34
CC1=CN=CC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)=C1	REAL300028789398	1	54	0.0	-83.13	405.89	4.24	-78.89
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1CCC1)C2	REAL300028789399	0	55	0.0	-79.03	382.77	6.84	-72.19
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1CCC1)C2	REAL300028789399	1	55	0.0	-79.43	384.42	6.75	-72.68
CC1=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)OC=N1	REAL300028789400	0	51	0.0	-79.44	356.26	2.26	-77.18
CC1=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)OC=N1	REAL300028789400	1	51	0.0	-66.75	385.17	1.18	-65.57
CC(C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C)C1CC1	REAL300028789401	0	55	0.0	-80.71	402.74	5.24	-75.47
CC(C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C)C1CC1	REAL300028789401	1	55	0.0	-80.85	395.39	5.02	-75.83
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1C3CCCC31)C2	REAL300028789402	0	56	0.0	-73.37	410.25	6.37	-67.00
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1C3CCCC31)C2	REAL300028789402	1	56	0.0	-73.20	410.43	6.38	-66.82
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC(C#N)=CN1)C2	REAL300028789403	0	51	0.0	-68.79	399.16	3.63	-65.16
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC(C#N)=CN1)C2	REAL300028789403	1	51	0.0	-72.66	390.70	4.13	-68.53
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCC1CCC1)C2	REAL300028789404	0	58	0.0	-64.64	416.01	6.27	-58.37
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCC1CCC1)C2	REAL300028789404	1	58	0.0	-72.56	425.21	6.57	-65.99
CC1=CC=CN=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789405	0	54	0.0	-62.06	403.53	4.11	-57.95
CC1=CC=CN=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789405	1	54	0.0	-84.00	398.05	5.59	-78.41
CC1=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)C=CN1	REAL300028789406	0	53	0.0	-72.85	395.12	3.98	-68.87
CC1=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)C=CN1	REAL300028789406	1	53	0.0	-82.29	369.13	3.78	-78.51
CC=C(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789407	0	52	0.0	-80.99	383.84	4.26	-76.73
CC=C(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789407	1	52	0.0	-87.68	359.22	4.42	-83.26
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC(F)(F)C1)C2	REAL300028789408	0	52	0.0	-74.25	394.31	4.88	-69.37
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC(F)(F)C1)C2	REAL300028789408	1	52	0.0	-82.98	373.23	5.90	-77.08
CC1CC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)C1	REAL300028789409	0	55	0.0	-63.22	393.12	5.33	-57.89
CC1CC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)C1	REAL300028789409	1	55	0.0	-79.68	384.72	6.61	-73.07
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C=C1CCC1)C2	REAL300028789410	0	53	0.0	-76.86	370.76	6.78	-70.08
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C=C1CCC1)C2	REAL300028789410	1	53	0.0	-79.35	392.34	5.25	-74.10
CCC(=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C)CC	REAL300028789411	0	58	0.0	-87.54	385.97	6.52	-81.02
CCC(=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C)CC	REAL300028789411	1	58	0.0	-76.51	410.51	6.07	-70.44
CC(C)=C(F)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789412	0	52	0.0	-78.23	394.54	4.68	-73.55
CC(C)=C(F)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789412	1	52	0.0	-84.97	392.89	4.37	-80.60
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CCCC1)C2	REAL300028789413	0	53	0.0	-73.78	386.46	5.24	-68.54
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CCCC1)C2	REAL300028789413	1	53	0.0	-60.74	377.15	5.01	-55.73
CN1C=CC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)=C1	REAL300028789414	0	53	0.0	-73.79	398.61	5.20	-68.59
CN1C=CC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)=C1	REAL300028789414	1	53	0.0	-62.57	391.09	4.97	-57.60
CN1C=NC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)=C1	REAL300028789415	0	52	0.0	-76.43	382.27	6.81	-69.62
CN1C=NC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)=C1	REAL300028789415	1	52	0.0	-63.34	387.17	5.35	-57.99
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1=CC=CN=C1)C2	REAL300028789416	0	54	0.0	-71.95	401.12	4.62	-67.33
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1=CC=CN=C1)C2	REAL300028789416	1	54	0.0	-80.40	382.12	5.81	-74.59
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCCCO1)C2	REAL300028789417	0	56	0.0	-63.08	404.21	3.74	-59.34
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCCCO1)C2	REAL300028789417	1	56	0.0	-86.35	400.03	4.35	-82.00
CCC(SC)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789418	0	55	0.0	-73.05	410.41	4.96	-68.09
CCC(SC)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789418	1	55	0.0	-73.18	415.40	5.13	-68.05
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC1(C)C)C2	REAL300028789419	0	55	0.0	-77.80	375.28	6.41	-71.39
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC1(C)C)C2	REAL300028789419	1	55	0.0	-78.62	386.54	6.68	-71.94
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC=C(C#N)N1)C2	REAL300028789420	0	51	0.0	-86.03	395.99	4.31	-81.72
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC=C(C#N)N1)C2	REAL300028789420	1	51	0.0	-72.89	389.06	3.75	-69.14
CCC(C)OCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789421	0	58	0.0	-82.84	416.23	5.91	-76.93
CCC(C)OCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789421	1	58	0.0	-100.12	408.05	6.36	-93.76
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@H]1CC1(C)C)C2	REAL300028789422	0	55	0.0	-77.42	376.93	6.29	-71.13
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@H]1CC1(C)C)C2	REAL300028789422	1	55	0.0	-79.00	397.35	5.25	-73.75
CSC(C)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789423	0	55	0.0	-85.20	392.59	5.76	-79.44
CSC(C)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789423	1	55	0.0	-74.82	396.61	6.37	-68.45
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@@H]1CCCO1)C2	REAL300028789424	0	53	0.0	-81.96	359.90	5.70	-76.26
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@@H]1CCCO1)C2	REAL300028789424	1	53	0.0	-71.85	389.90	3.59	-68.26
C#CCCCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789425	0	56	0.0	-65.68	428.59	5.77	-59.91
C#CCCCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789425	1	56	0.0	-73.88	425.75	6.57	-67.31
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)COC(C)(C)C)C2	REAL300028789426	0	58	0.0	-83.46	412.49	5.65	-77.81
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)COC(C)(C)C)C2	REAL300028789426	1	58	0.0	-83.36	412.06	5.63	-77.73
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CNC(C#N)=C1)C2	REAL300028789427	0	51	0.0	-68.08	398.84	3.11	-64.97
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CNC(C#N)=C1)C2	REAL300028789427	1	51	0.0	-68.53	387.27	3.55	-64.98
CCNC(=O)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789428	0	55	0.0	-89.30	395.13	4.50	-84.80
CCNC(=O)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789428	1	55	0.0	-73.75	403.85	3.22	-70.53
COC(C)CCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789429	0	58	0.0	-72.09	430.18	4.34	-67.75
COC(C)CCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789429	1	58	0.0	-74.06	429.49	4.08	-69.98
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CN=CN=C1)C2	REAL300028789430	0	50	0.0	-64.01	382.01	2.90	-61.11
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CN=CN=C1)C2	REAL300028789430	1	50	0.0	-86.18	380.93	3.67	-82.51
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CCOCC1)C2	REAL300028789431	0	54	0.0	-73.79	402.41	3.49	-70.30
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CCOCC1)C2	REAL300028789431	1	54	0.0	-79.03	397.55	3.08	-75.95
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1=COC=C1)C2	REAL300028789432	0	52	0.0	-67.79	387.03	4.37	-63.42
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1=COC=C1)C2	REAL300028789432	1	52	0.0	-80.87	370.75	5.65	-75.22
CC1=NC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)=CO1	REAL300028789433	0	51	0.0	-62.33	382.17	1.87	-60.46
CC1=NC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)=CO1	REAL300028789433	1	51	0.0	-72.39	388.44	2.09	-70.30
C[C@H](NC(N)=O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789434	0	54	0.0	-78.17	385.16	-0.09	-78.26
C[C@H](NC(N)=O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789434	1	54	0.0	-79.54	399.34	-1.10	-80.64
CC1=CC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)=CO1	REAL300028789435	0	52	0.0	-92.76	395.14	3.77	-88.99
CC1=CC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)=CO1	REAL300028789435	1	52	0.0	-87.13	378.06	5.66	-81.47
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C=CC1=CC=CN1)C2	REAL300028789436	0	54	0.0	-73.31	409.61	4.95	-68.36
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C=CC1=CC=CN1)C2	REAL300028789436	1	54	0.0	-69.07	409.77	4.87	-64.20
CCC(C)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789437	0	57	0.0	-63.25	402.87	5.49	-57.76
CCC(C)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789437	1	57	0.0	-77.72	392.68	6.57	-71.15
C#CCCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789438	0	53	0.0	-73.72	403.56	5.53	-68.19
C#CCCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789438	1	53	0.0	-74.78	404.25	5.79	-68.99
C=CC(C)(O)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789439	0	56	0.0	-80.20	400.72	3.39	-76.81
C=CC(C)(O)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789439	1	56	0.0	-69.58	413.42	3.16	-66.42
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC(C)(C)O)C2	REAL300028789440	0	55	0.0	-72.23	401.77	2.54	-69.69
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC(C)(C)O)C2	REAL300028789440	1	55	0.0	-70.35	403.28	2.46	-67.89
COC(C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C)C1CC1	REAL300028789441	0	56	0.0	-74.67	411.79	4.94	-69.73
COC(C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C)C1CC1	REAL300028789441	1	56	0.0	-70.30	403.37	4.65	-65.65
CC1=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)NC=C1	REAL300028789442	0	53	0.0	-72.75	394.43	4.35	-68.40
CC1=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)NC=C1	REAL300028789442	1	53	0.0	-84.11	389.19	4.12	-79.99
CN1N=NC=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789443	0	51	0.0	-83.87	382.03	1.50	-82.37
CN1N=NC=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789443	1	51	0.0	-79.63	382.24	1.78	-77.85
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1COC(=O)N1)C2	REAL300028789444	0	51	0.0	-83.65	386.04	-0.03	-83.68
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1COC(=O)N1)C2	REAL300028789444	1	51	0.0	-82.11	387.95	-0.17	-82.28
CCCCC(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789445	0	60	0.0	-73.52	434.79	6.35	-67.17
CCCCC(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789445	1	60	0.0	-80.47	411.53	7.08	-73.39
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@H]1C[C@@H]1C(F)F)C2	REAL300028789446	0	52	0.0	-79.45	394.52	4.98	-74.47
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@H]1C[C@@H]1C(F)F)C2	REAL300028789446	1	52	0.0	-66.51	400.85	4.64	-61.87
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC(C)(C)C1)C2	REAL300028789447	0	58	0.0	-64.10	424.42	5.22	-58.88
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC(C)(C)C1)C2	REAL300028789447	1	58	0.0	-80.26	395.76	6.45	-73.81
CC(C)[C@@H](O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789448	0	55	0.0	-90.98	385.27	2.76	-88.22
CC(C)[C@@H](O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789448	1	55	0.0	-81.65	390.00	2.52	-79.13
CN1C=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)N=N1	REAL300028789449	0	51	0.0	-74.01	375.04	3.63	-70.38
CN1C=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)N=N1	REAL300028789449	1	51	0.0	-74.59	378.23	3.43	-71.16
CN1C=NC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)=N1	REAL300028789450	0	51	0.0	-87.01	387.29	4.47	-82.54
CN1C=NC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)=N1	REAL300028789450	1	51	0.0	-96.14	363.50	5.37	-90.77
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC1(F)F)C2	REAL300028789451	0	49	0.0	-61.96	370.44	4.14	-57.82
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC1(F)F)C2	REAL300028789451	1	49	0.0	-74.34	376.80	4.47	-69.87
CCC(C)=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789452	0	55	0.0	-77.41	401.55	5.21	-72.20
CCC(C)=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789452	1	55	0.0	-78.07	400.32	5.47	-72.60
CC1=CN=CC=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789453	0	54	0.0	-81.66	393.87	5.42	-76.24
CC1=CN=CC=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789453	1	54	0.0	-63.43	405.05	3.68	-59.75
CC(C)C#CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789454	0	53	0.0	-67.20	406.27	5.47	-61.73
CC(C)C#CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789454	1	53	0.0	-63.29	399.29	5.33	-57.96
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1(O)CCC1)C2	REAL300028789455	0	56	0.0	-68.08	410.03	3.56	-64.52
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1(O)CCC1)C2	REAL300028789455	1	56	0.0	-72.66	410.29	3.81	-68.85
CC1=CNN=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789456	0	52	0.0	-63.54	382.93	2.97	-60.57
CC1=CNN=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789456	1	52	0.0	-61.29	379.58	3.16	-58.13
CC(C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C)=C1CCC1	REAL300028789457	0	56	0.0	-80.18	388.36	6.80	-73.38
CC(C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C)=C1CCC1	REAL300028789457	1	56	0.0	-79.64	403.94	7.07	-72.57
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C#CC1CC1)C2	REAL300028789458	0	51	0.0	-83.94	383.08	6.86	-77.08
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C#CC1CC1)C2	REAL300028789458	1	51	0.0	-83.51	392.11	5.57	-77.94
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C#CC(C)(C)C)C2	REAL300028789459	0	56	0.0	-84.34	413.53	7.22	-77.12
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C#CC(C)(C)C)C2	REAL300028789459	1	56	0.0	-84.22	413.50	7.20	-77.02
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2	REAL300028789460	0	51	0.0	-80.45	393.49	4.53	-75.92
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2	REAL300028789460	1	51	0.0	-65.56	395.19	4.05	-61.51
CCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789461	0	48	0.0	-72.56	355.48	3.73	-68.83
CCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789461	1	48	0.0	-72.66	355.29	3.72	-68.94
COCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789462	0	52	0.0	-74.38	389.14	2.80	-71.58
COCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789462	1	52	0.0	-73.08	388.45	2.54	-70.54
CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789463	0	45	0.0	-64.98	327.57	2.45	-62.53
CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789463	1	45	0.0	-77.90	332.36	2.41	-75.49
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC1)C2	REAL300028789464	0	49	0.0	-78.82	351.17	5.46	-73.36
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC1)C2	REAL300028789464	1	49	0.0	-66.38	365.95	4.18	-62.20
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCC1)C2	REAL300028789465	0	52	0.0	-72.92	380.79	4.92	-68.00
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCC1)C2	REAL300028789465	1	52	0.0	-67.81	382.24	4.62	-63.19
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCCC1)C2	REAL300028789466	0	55	0.0	-81.18	379.13	6.32	-74.86
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCCC1)C2	REAL300028789466	1	55	0.0	-73.09	394.60	5.41	-67.68
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCOCC1)C2	REAL300028789467	0	56	0.0	-64.22	408.49	2.95	-61.27
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCOCC1)C2	REAL300028789467	1	56	0.0	-75.65	407.55	3.73	-71.92
CN1N=CC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)=N1	REAL300028789468	0	51	0.0	-67.14	388.99	2.13	-65.01
CN1N=CC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)=N1	REAL300028789468	1	51	0.0	-63.73	391.36	1.67	-62.06
CCC(C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CCN2C)[NH+](C)C	REAL300028789469	1	59	0.0	-65.70	401.75	2.61	-63.09
CC1COC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)C1	REAL300028789470	0	56	0.0	-76.66	408.87	4.73	-71.93
CC1COC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)C1	REAL300028789470	1	56	0.0	-86.20	389.44	4.89	-81.31
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@]13C[C@H]1CCC3)C2	REAL300028789471	0	56	0.0	-83.20	405.46	5.81	-77.39
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@]13C[C@H]1CCC3)C2	REAL300028789471	1	56	0.0	-67.92	407.35	5.05	-62.87
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@@H]1CCC(=O)N1)C2	REAL300028789472	0	53	0.0	-79.87	395.31	1.49	-78.38
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@@H]1CCC(=O)N1)C2	REAL300028789472	1	53	0.0	-75.77	381.82	1.05	-74.72
CCC[N@H+](C)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CCN2C	REAL300028789473	1	59	0.0	-59.68	427.77	3.36	-56.32
CCC[N@@H+](C)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CCN2C	REAL300028789473	1	59	0.0	-72.22	419.27	3.25	-68.97
CC1=NC=CC=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789474	0	54	0.0	-80.19	403.05	4.53	-75.66
CC1=NC=CC=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789474	1	54	0.0	-63.26	404.06	3.68	-59.58
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCC(C)(C)C)C2	REAL300028789475	0	60	0.0	-64.66	434.82	5.53	-59.13
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCC(C)(C)C)C2	REAL300028789475	1	60	0.0	-63.71	423.14	5.94	-57.77
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC=NC=N1)C2	REAL300028789476	0	50	0.0	-62.65	382.85	3.78	-58.87
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC=NC=N1)C2	REAL300028789476	1	50	0.0	-77.04	363.72	5.66	-71.38
CC1=CC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)=CC=N1	REAL300028789477	0	54	0.0	-74.51	403.76	4.19	-70.32
CC1=CC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)=CC=N1	REAL300028789477	1	54	0.0	-77.64	407.69	4.37	-73.27
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1=CC=CO1)C2	REAL300028789478	0	52	0.0	-69.31	399.70	4.10	-65.21
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1=CC=CO1)C2	REAL300028789478	1	52	0.0	-78.06	396.24	4.84	-73.22
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=NC=CC=N1)C2	REAL300028789479	0	50	0.0	-76.99	382.23	3.26	-73.73
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=NC=CC=N1)C2	REAL300028789479	1	50	0.0	-80.32	382.43	3.61	-76.71
CCC(C)CCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789480	0	60	0.0	-72.50	434.27	6.44	-66.06
CCC(C)CCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789480	1	60	0.0	-71.38	433.58	6.17	-65.21
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC=CN=N1)C2	REAL300028789481	0	50	0.0	-63.89	373.41	2.95	-60.94
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC=CN=N1)C2	REAL300028789481	1	50	0.0	-66.17	380.52	3.12	-63.05
CC1OCCC1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789482	0	56	0.0	-76.83	392.14	3.46	-73.37
CC1OCCC1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789482	1	56	0.0	-62.18	397.63	3.05	-59.13
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(C)CCOC1)C2	REAL300028789483	0	56	0.0	-84.93	394.21	2.85	-82.08
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(C)CCOC1)C2	REAL300028789483	1	56	0.0	-77.11	400.03	3.12	-73.99
CCC(CC)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789484	0	60	0.0	-72.17	426.06	6.27	-65.90
CCC(CC)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789484	1	60	0.0	-63.90	420.54	6.02	-57.88
CCC(C)C(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789485	0	60	0.0	-85.85	428.11	5.86	-79.99
CCC(C)C(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789485	1	60	0.0	-72.97	427.45	5.96	-67.01
CCCC(CC)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789486	0	60	0.0	-71.21	427.87	5.88	-65.33
CCCC(CC)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789486	1	60	0.0	-98.80	394.60	7.09	-91.71
CCC1(C)CC1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789487	0	58	0.0	-62.24	410.04	6.01	-56.23
CCC1(C)CC1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789487	1	58	0.0	-63.36	412.89	5.91	-57.45
COCC(C)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789488	0	58	0.0	-82.10	407.11	5.00	-77.10
COCC(C)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789488	1	58	0.0	-88.04	400.29	4.05	-83.99
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(C(F)F)CC1)C2	REAL300028789489	0	52	0.0	-89.13	391.94	4.69	-84.44
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(C(F)F)CC1)C2	REAL300028789489	1	52	0.0	-82.44	387.66	4.28	-78.16
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCC(F)C1)C2	REAL300028789490	0	55	0.0	-68.83	394.90	5.05	-63.78
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCC(F)C1)C2	REAL300028789490	1	55	0.0	-91.83	404.26	5.43	-86.40
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCC1(C)CC1)C2	REAL300028789491	0	58	0.0	-65.15	415.74	6.13	-59.02
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCC1(C)CC1)C2	REAL300028789491	1	58	0.0	-80.81	404.49	7.25	-73.56
CC1=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)ON=C1	REAL300028789492	0	51	0.0	-77.99	356.34	5.03	-72.96
CC1=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)ON=C1	REAL300028789492	1	51	0.0	-79.12	373.82	5.07	-74.05
CC[N@H+](C)CCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CCN2C	REAL300028789493	1	59	0.0	-63.24	429.46	3.32	-59.92
CC[N@@H+](C)CCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CCN2C	REAL300028789493	1	59	0.0	-63.53	429.46	3.31	-60.22
CC1=CON=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789494	0	51	0.0	-72.42	356.00	5.25	-67.17
CC1=CON=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789494	1	51	0.0	-76.43	373.00	5.44	-70.99
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CN1N=CN=N1)C2	REAL300028789495	0	50	0.0	-73.06	389.31	2.05	-71.01
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CN1N=CN=N1)C2	REAL300028789495	1	50	0.0	-83.61	363.09	3.92	-79.69
CCCC[C@@H](C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789496	0	60	0.0	-81.03	431.36	5.82	-75.21
CCCC[C@@H](C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789496	1	60	0.0	-81.78	426.69	6.00	-75.78
CCC(C)(C)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789497	0	60	0.0	-83.62	407.82	6.74	-76.88
CCC(C)(C)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789497	1	60	0.0	-63.59	425.57	5.29	-58.30
CC(C)C(C)(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789498	0	60	0.0	-73.68	414.63	5.29	-68.39
CC(C)C(C)(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789498	1	60	0.0	-67.16	406.84	4.99	-62.17
C=CC(C)(C)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789499	0	58	0.0	-71.01	416.64	5.75	-65.26
C=CC(C)(C)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789499	1	58	0.0	-82.38	402.18	6.63	-75.75
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CN1N=CC=N1)C2	REAL300028789500	0	51	0.0	-83.38	368.26	3.97	-79.41
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CN1N=CC=N1)C2	REAL300028789500	1	51	0.0	-73.98	391.60	2.15	-71.83
CC1=NC=CC=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789501	0	54	0.0	-80.19	403.05	4.53	-75.66
CC1=NC=CC=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789501	1	54	0.0	-63.26	404.06	3.68	-59.58
C=CCCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789502	0	55	0.0	-71.73	410.58	5.57	-66.16
C=CCCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789502	1	55	0.0	-72.78	411.28	5.83	-66.95
CCC(C)(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789503	0	57	0.0	-73.89	399.75	4.89	-69.00
CCC(C)(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789503	1	57	0.0	-64.71	401.75	4.11	-60.60
CCCC(C)(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789504	0	60	0.0	-73.97	421.26	5.66	-68.31
CCCC(C)(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789504	1	60	0.0	-60.11	421.10	4.80	-55.31
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(C(N)=O)CC1)C2	REAL300028789505	0	53	0.0	-76.03	397.66	0.50	-75.53
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(C(N)=O)CC1)C2	REAL300028789505	1	53	0.0	-77.81	399.42	0.41	-77.40
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(N)=O)C2	REAL300028789506	0	46	0.0	-73.59	343.80	-1.52	-75.11
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(N)=O)C2	REAL300028789506	1	46	0.0	-74.60	347.20	-1.67	-76.27
CC1=NOC=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789507	0	51	0.0	-81.96	372.73	4.76	-77.20
CC1=NOC=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789507	1	51	0.0	-68.41	382.93	3.58	-64.83
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(C)CC=CC1)C2	REAL300028789508	0	56	0.0	-72.73	399.27	5.31	-67.42
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(C)CC=CC1)C2	REAL300028789508	1	56	0.0	-83.00	397.89	5.03	-77.97
COC(C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C)C(C)C	REAL300028789509	0	58	0.0	-82.10	405.40	5.17	-76.93
COC(C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C)C(C)C	REAL300028789509	1	58	0.0	-98.83	390.23	5.52	-93.31
CC1CC1CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789510	0	55	0.0	-80.39	389.26	6.77	-73.62
CC1CC1CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789510	1	55	0.0	-80.74	387.74	6.73	-74.01
C=CC(C)(CC)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789511	0	58	0.0	-69.94	401.58	5.20	-64.74
C=CC(C)(CC)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789511	1	58	0.0	-80.86	383.67	6.35	-74.51
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C[C@H]1CCOC1)C2	REAL300028789512	0	56	0.0	-64.71	410.59	3.06	-61.65
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C[C@H]1CCOC1)C2	REAL300028789512	1	56	0.0	-65.94	413.29	3.44	-62.50
CCC1(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)CC1	REAL300028789513	0	55	0.0	-81.06	404.10	5.01	-76.05
CCC1(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)CC1	REAL300028789513	1	55	0.0	-72.54	401.42	5.42	-67.12
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(C)(C)C)C2	REAL300028789514	0	54	0.0	-81.48	382.23	3.87	-77.61
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(C)(C)C)C2	REAL300028789514	1	54	0.0	-67.12	385.68	4.03	-63.09
CC1=CC=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)C=C1	REAL300028789515	0	55	0.0	-87.21	390.85	7.09	-80.12
CC1=CC=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)C=C1	REAL300028789515	1	55	0.0	-77.33	411.06	6.32	-71.01
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1=NN=CN1)C2	REAL300028789516	0	51	0.0	-74.03	379.53	3.81	-70.22
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1=NN=CN1)C2	REAL300028789516	1	51	0.0	-79.06	370.50	4.58	-74.48
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1C=CC=CC=C1)C2	REAL300028789517	0	55	0.0	-80.54	389.88	6.92	-73.62
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1C=CC=CC=C1)C2	REAL300028789517	1	55	0.0	-79.85	399.83	5.77	-74.08
C=C(C)CCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789518	0	55	0.0	-72.14	410.45	5.45	-66.69
C=C(C)CCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789518	1	55	0.0	-67.14	412.19	5.33	-61.81
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC=NS1)C2	REAL300028789519	1	48	0.0	-77.76	375.30	3.36	-74.40
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC=NS1)C2	REAL300028789519	1	48	0.0	-66.84	367.45	2.95	-63.89
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC(C)(F)F)C2	REAL300028789520	0	51	0.0	-69.56	390.89	3.91	-65.65
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC(C)(F)F)C2	REAL300028789520	1	51	0.0	-77.00	387.38	4.69	-72.31
CCCC1(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)CC1	REAL300028789521	0	58	0.0	-66.61	426.44	5.93	-60.68
CCCC1(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)CC1	REAL300028789521	1	58	0.0	-71.59	425.09	5.96	-65.63
COCC(OC)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789522	0	56	0.0	-88.26	418.54	2.68	-85.58
COCC(OC)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789522	1	56	0.0	-68.47	405.74	2.43	-66.04
CCC[C@@H]1C[C@H]1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789523	0	58	0.0	-60.60	430.44	5.90	-54.70
CCC[C@@H]1C[C@H]1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789523	1	58	0.0	-71.86	429.41	6.49	-65.37
CC(C)C1(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)CC1	REAL300028789524	0	58	0.0	-73.82	416.16	5.95	-67.87
CC(C)C1(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)CC1	REAL300028789524	1	58	0.0	-82.27	409.72	5.64	-76.63
C=C1CC(C)(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)C1	REAL300028789525	0	56	0.0	-63.76	410.92	4.87	-58.89
C=C1CC(C)(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)C1	REAL300028789525	1	56	0.0	-82.50	406.41	5.15	-77.35
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(CF)CC1)C2	REAL300028789526	0	52	0.0	-83.82	383.20	4.48	-79.34
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(CF)CC1)C2	REAL300028789526	1	52	0.0	-83.28	388.91	4.47	-78.81
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC3(CC3)C1)C2	REAL300028789527	0	56	0.0	-61.53	414.72	5.56	-55.97
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC3(CC3)C1)C2	REAL300028789527	1	56	0.0	-67.99	415.03	5.98	-62.01
CCCCCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789528	0	60	0.0	-63.52	432.40	6.58	-56.94
CCCCCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789528	1	60	0.0	-64.27	444.31	6.03	-58.24
CC(C)C(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789529	0	57	0.0	-70.80	411.46	5.21	-65.59
CC(C)C(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789529	1	57	0.0	-86.18	409.02	5.09	-81.09
CC1CCC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)C1	REAL300028789530	0	58	0.0	-86.55	418.93	6.00	-80.55
CC1CCC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)C1	REAL300028789530	1	58	0.0	-64.61	409.31	5.60	-59.01
C#CCOCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789531	0	54	0.0	-74.61	416.10	4.05	-70.56
C#CCOCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789531	1	54	0.0	-75.85	416.78	4.31	-71.54
C#CCOC(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789532	0	54	0.0	-67.68	399.88	4.69	-62.99
C#CCOC(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789532	1	54	0.0	-79.48	411.87	5.06	-74.42
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(C)(C)C(N)=O)C2	REAL300028789533	0	55	0.0	-56.35	394.22	0.16	-56.19
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(C)(C)C(N)=O)C2	REAL300028789533	1	55	0.0	-82.17	397.07	1.97	-80.20
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(C3CC3)CC1)C2	REAL300028789534	0	56	0.0	-65.09	392.29	5.62	-59.47
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(C3CC3)CC1)C2	REAL300028789534	1	56	0.0	-73.32	399.16	6.09	-67.23
COC1CC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)C1	REAL300028789535	0	56	0.0	-64.35	402.23	3.54	-60.81
COC1CC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)C1	REAL300028789535	1	56	0.0	-76.32	414.74	3.90	-72.42
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@H]1C[C@H]1C(N)=O)C2	REAL300028789536	0	53	0.0	-75.06	396.82	0.79	-74.27
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@H]1C[C@H]1C(N)=O)C2	REAL300028789536	1	53	0.0	-95.75	396.44	1.01	-94.74
CC[C@@H](C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CCN2C)[NH+](C)C	REAL300028789537	1	59	0.0	-59.82	409.28	2.50	-57.32
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(CF)CCC1)C2	REAL300028789538	0	55	0.0	-83.72	376.38	5.90	-77.82
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(CF)CCC1)C2	REAL300028789538	1	55	0.0	-63.65	385.44	4.75	-58.90
CC[C@@H]1C[C@H]1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789539	0	55	0.0	-60.68	408.94	5.12	-55.56
CC[C@@H]1C[C@H]1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789539	1	55	0.0	-75.25	382.36	6.78	-68.47
CC(C)CCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789540	0	60	0.0	-72.45	437.53	6.56	-65.89
CC(C)CCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789540	1	60	0.0	-64.26	440.38	5.76	-58.50
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CN1C=NC=N1)C2	REAL300028789541	0	51	0.0	-72.73	381.27	5.22	-67.51
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CN1C=NC=N1)C2	REAL300028789541	1	51	0.0	-84.11	390.47	5.52	-78.59
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCNC(N)=O)C2	REAL300028789542	0	54	0.0	-81.10	408.51	-1.02	-82.12
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCNC(N)=O)C2	REAL300028789542	1	54	0.0	-79.48	410.27	-1.13	-80.61
CC1=CN=CC=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789543	0	54	0.0	-81.66	393.87	5.42	-76.24
CC1=CN=CC=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789543	1	54	0.0	-63.43	405.05	3.68	-59.75
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCC1(F)F)C2	REAL300028789544	0	52	0.0	-68.04	386.63	4.72	-63.32
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCC1(F)F)C2	REAL300028789544	1	52	0.0	-78.99	392.87	5.17	-73.82
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=NSC=C1)C2	REAL300028789545	0	48	0.0	-75.85	363.68	4.59	-71.26
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=NSC=C1)C2	REAL300028789545	1	48	0.0	-77.48	358.74	4.85	-72.63
CC(C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C)C1CCC1	REAL300028789546	0	58	0.0	-68.75	421.33	5.94	-62.81
CC(C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C)C1CCC1	REAL300028789546	1	58	0.0	-73.43	421.16	6.20	-67.23
CC1CC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)CO1	REAL300028789547	0	56	0.0	-84.29	402.94	3.26	-81.03
CC1CC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)CO1	REAL300028789547	1	56	0.0	-64.04	397.55	3.16	-60.88
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC13CC3)C2	REAL300028789548	0	53	0.0	-72.46	397.00	5.64	-66.82
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC13CC3)C2	REAL300028789548	1	53	0.0	-72.51	397.57	5.74	-66.77
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1=CN=CN1)C2	REAL300028789549	0	52	0.0	-75.96	394.18	3.93	-72.03
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1=CN=CN1)C2	REAL300028789549	1	52	0.0	-81.43	394.86	4.19	-77.24
C=CCC(C)(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789550	0	58	0.0	-63.45	407.51	5.07	-58.38
C=CCC(C)(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789550	1	58	0.0	-74.44	414.35	5.49	-68.95
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC13CCC3)C2	REAL300028789551	0	56	0.0	-80.10	407.19	5.93	-74.17
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC13CCC3)C2	REAL300028789551	1	56	0.0	-72.66	412.53	6.41	-66.25
CC1=CNC=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789552	0	53	0.0	-78.08	397.85	4.30	-73.78
CC1=CNC=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789552	1	53	0.0	-83.92	390.09	3.66	-80.26
CN1C=CC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)=N1	REAL300028789553	0	52	0.0	-61.53	383.97	3.81	-57.72
CN1C=CC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)=N1	REAL300028789553	1	52	0.0	-81.07	383.92	4.99	-76.08
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(F)CCCC1)C2	REAL300028789554	0	55	0.0	-62.28	393.38	5.04	-57.24
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(F)CCCC1)C2	REAL300028789554	1	55	0.0	-70.21	399.09	5.24	-64.97
CN1C=NC=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789555	0	52	0.0	-63.79	388.85	3.90	-59.89
CN1C=NC=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789555	1	52	0.0	-78.39	387.66	4.78	-73.61
CN(C)C(=O)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789556	0	55	0.0	-79.27	410.41	4.31	-74.96
CN(C)C(=O)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789556	1	55	0.0	-74.11	399.73	4.31	-69.80
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@@H]1C[C@H]1C1CC1)C2	REAL300028789557	0	56	0.0	-66.21	413.10	6.38	-59.83
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@@H]1C[C@H]1C1CC1)C2	REAL300028789557	1	56	0.0	-64.33	412.77	6.29	-58.04
COCCC(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789558	0	58	0.0	-91.56	424.97	3.88	-87.68
COCCC(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789558	1	58	0.0	-83.60	405.04	4.69	-78.91
CCC(C)(CC)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789559	0	60	0.0	-73.33	414.87	5.38	-67.95
CCC(C)(CC)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789559	1	60	0.0	-72.51	409.24	5.32	-67.19
COCC1(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)CC1	REAL300028789560	0	56	0.0	-83.51	416.02	3.38	-80.13
COCC1(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)CC1	REAL300028789560	1	56	0.0	-72.61	416.55	3.57	-69.04
COCC(C)(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789561	0	58	0.0	-75.45	416.88	3.58	-71.87
COCC(C)(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789561	1	58	0.0	-64.30	409.82	3.10	-61.20
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@H]1CCCO1)C2	REAL300028789562	0	53	0.0	-87.85	383.43	3.63	-84.22
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@H]1CCCO1)C2	REAL300028789562	1	53	0.0	-65.61	389.30	3.20	-62.41
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCC(F)F)C2	REAL300028789563	0	51	0.0	-67.24	389.89	4.31	-62.93
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCC(F)F)C2	REAL300028789563	1	51	0.0	-77.13	389.63	4.76	-72.37
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC(F)=CN1)C2	REAL300028789564	0	50	0.0	-82.42	381.15	4.09	-78.33
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC(F)=CN1)C2	REAL300028789564	1	50	0.0	-64.38	383.13	3.20	-61.18
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1(C)CC1)C2	REAL300028789565	0	55	0.0	-60.85	406.09	4.93	-55.92
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1(C)CC1)C2	REAL300028789565	1	55	0.0	-72.20	406.39	5.76	-66.44
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(CCF)CC1)C2	REAL300028789566	0	55	0.0	-71.41	411.70	5.36	-66.05
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(CCF)CC1)C2	REAL300028789566	1	55	0.0	-80.03	409.31	5.15	-74.88
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@]13C[C@H]1COC3)C2	REAL300028789567	0	54	0.0	-74.27	397.19	3.44	-70.83
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@]13C[C@H]1COC3)C2	REAL300028789567	1	54	0.0	-72.90	402.68	2.80	-70.10
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(C)CC1)C2	REAL300028789568	0	52	0.0	-85.86	379.46	4.40	-81.46
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(C)CC1)C2	REAL300028789568	1	52	0.0	-81.00	382.36	4.34	-76.66
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CNC=C1)C2	REAL300028789569	0	50	0.0	-79.50	376.05	3.02	-76.48
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CNC=C1)C2	REAL300028789569	1	50	0.0	-62.46	366.79	3.30	-59.16
CC(CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C)C1CC1	REAL300028789570	0	58	0.0	-72.05	423.55	6.55	-65.50
CC(CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C)C1CC1	REAL300028789570	1	58	0.0	-64.59	414.35	6.23	-58.36
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CSN=N1)C2	REAL300028789571	0	47	0.0	-77.34	340.76	3.36	-73.98
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CSN=N1)C2	REAL300028789571	1	47	0.0	-73.91	355.54	3.71	-70.20
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(C)CCCC1)C2	REAL300028789572	0	58	0.0	-67.56	398.62	5.16	-62.40
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(C)CCCC1)C2	REAL300028789572	1	58	0.0	-82.07	406.16	5.20	-76.87
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CN=CO1)C2	REAL300028789573	0	48	0.0	-85.63	356.20	1.57	-84.06
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CN=CO1)C2	REAL300028789573	1	48	0.0	-68.94	367.42	0.39	-68.55
CNC(=O)NCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789574	0	54	0.0	-77.29	393.69	1.17	-76.12
CNC(=O)NCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789574	1	54	0.0	-68.11	399.80	-0.31	-68.42
C=CCCOCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789575	0	56	0.0	-83.69	411.77	5.86	-77.83
C=CCCOCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789575	1	56	0.0	-70.46	425.42	5.05	-65.41
C=CCOC(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789576	0	56	0.0	-65.31	406.99	4.73	-60.58
C=CCOC(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789576	1	56	0.0	-76.60	418.12	5.05	-71.55
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCCC(N)=O)C2	REAL300028789577	0	55	0.0	-72.06	414.90	0.89	-71.17
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCCC(N)=O)C2	REAL300028789577	1	55	0.0	-80.83	414.65	1.34	-79.49
CC1=NNC=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789578	0	52	0.0	-68.93	386.53	2.35	-66.58
CC1=NNC=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789578	1	52	0.0	-67.72	390.95	1.88	-65.84
CC1=NNN=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789579	0	51	0.0	-63.10	386.64	1.12	-61.98
CC1=NNN=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789579	1	51	0.0	-74.20	383.57	1.70	-72.50
CCCC(OC)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789580	0	58	0.0	-74.90	421.74	4.78	-70.12
CCCC(OC)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789580	1	58	0.0	-82.19	402.61	5.60	-76.59
C=C(C)C(C)(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789581	0	58	0.0	-68.12	408.88	5.28	-62.84
C=C(C)C(C)(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789581	1	58	0.0	-68.01	409.29	4.88	-63.13
CC(CC(N)=O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789582	0	55	0.0	-75.24	407.48	0.79	-74.45
CC(CC(N)=O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789582	1	55	0.0	-81.19	406.39	0.92	-80.27
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCNC1=O)C2	REAL300028789583	0	53	0.0	-69.08	398.11	0.42	-68.66
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCNC1=O)C2	REAL300028789583	1	53	0.0	-71.79	389.87	1.21	-70.58
C=CC(C)(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789584	0	55	0.0	-69.36	390.54	4.38	-64.98
C=CC(C)(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789584	1	55	0.0	-74.75	393.70	4.76	-69.99
CN1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@H]1CCC[N@@H+]1C)C2	REAL300028789585	1	57	0.0	-57.52	410.50	2.89	-54.63
CN1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@H]1CCC[N@H+]1C)C2	REAL300028789585	1	57	0.0	-51.12	405.17	2.57	-48.55
C[C@@H]1C[C@H]1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789586	0	52	0.0	-80.17	383.31	4.77	-75.40
C[C@@H]1C[C@H]1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789586	1	52	0.0	-73.07	386.66	5.12	-67.95
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(C)CCC1)C2	REAL300028789587	0	55	0.0	-71.63	394.44	4.85	-66.78
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(C)CCC1)C2	REAL300028789587	1	55	0.0	-71.84	394.63	4.95	-66.89
CCC(F)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789588	0	51	0.0	-84.29	380.51	4.05	-80.24
CCC(F)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789588	1	51	0.0	-80.03	360.30	5.13	-74.90
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCCF)C2	REAL300028789589	0	51	0.0	-73.59	382.87	4.37	-69.22
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCCF)C2	REAL300028789589	1	51	0.0	-74.70	383.56	4.63	-70.07
CC1=COC=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789590	0	52	0.0	-64.70	389.09	4.13	-60.57
CC1=COC=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789590	1	52	0.0	-82.71	386.10	3.89	-78.82
C[C@H]1C[C@@H]1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789591	0	52	0.0	-65.81	380.84	4.76	-61.05
C[C@H]1C[C@@H]1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789591	1	52	0.0	-66.11	381.17	4.80	-61.31
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(C)C=CCC1)C2	REAL300028789592	0	56	0.0	-81.44	380.06	6.22	-75.22
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(C)C=CCC1)C2	REAL300028789592	1	56	0.0	-81.66	381.47	6.36	-75.30
CN1N=NC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)=N1	REAL300028789593	0	50	0.0	-68.41	384.11	1.66	-66.75
CN1N=NC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)=N1	REAL300028789593	1	50	0.0	-82.77	373.67	2.89	-79.88
CC1=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)NC=N1	REAL300028789594	0	52	0.0	-76.81	394.57	3.83	-72.98
CC1=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)NC=N1	REAL300028789594	1	52	0.0	-68.58	396.15	3.04	-65.54
CC(C)C(F)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789595	0	54	0.0	-75.87	387.35	5.94	-69.93
CC(C)C(F)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789595	1	54	0.0	-77.48	374.94	5.93	-71.55
C=CC(C)C(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789596	0	58	0.0	-72.62	423.55	5.67	-66.95
C=CC(C)C(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789596	1	58	0.0	-70.69	424.23	5.75	-64.94
CCC1(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)CCC1	REAL300028789597	0	58	0.0	-70.71	406.37	5.34	-65.37
CCC1(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)CCC1	REAL300028789597	1	58	0.0	-81.46	390.95	6.40	-75.06
CC#CCCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789598	0	56	0.0	-75.69	426.08	6.75	-68.94
CC#CCCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789598	1	56	0.0	-74.49	425.38	6.49	-68.00
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@H]1[C@@H]3COC[C@@H]31)C2	REAL300028789599	0	54	0.0	-75.41	400.58	3.85	-71.56
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@H]1[C@@H]3COC[C@@H]31)C2	REAL300028789599	1	54	0.0	-73.56	400.99	3.59	-69.97
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCCC1CC1)C2	REAL300028789600	0	58	0.0	-64.82	420.89	6.54	-58.28
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCCC1CC1)C2	REAL300028789600	1	58	0.0	-72.80	430.09	6.84	-65.96
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCC1(C)C)C2	REAL300028789601	0	58	0.0	-79.93	386.47	7.12	-72.81
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCC1(C)C)C2	REAL300028789601	1	58	0.0	-68.20	416.76	5.61	-62.59
CC1=COC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)=C1	REAL300028789602	0	52	0.0	-93.56	366.06	5.54	-88.02
CC1=COC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)=C1	REAL300028789602	1	52	0.0	-63.72	384.85	4.37	-59.35
C=CC(CC)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789603	0	58	0.0	-76.73	403.44	7.50	-69.23
C=CC(CC)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789603	1	58	0.0	-85.22	399.95	6.24	-78.98
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(C)(C)C1CC1)C2	REAL300028789604	0	58	0.0	-81.19	387.82	6.23	-74.96
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(C)(C)C1CC1)C2	REAL300028789604	1	58	0.0	-67.04	408.49	5.16	-61.88
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@H]1C[C@H]3C[C@H]3C1)C2	REAL300028789605	0	56	0.0	-82.12	400.85	5.72	-76.40
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@H]1C[C@H]3C[C@H]3C1)C2	REAL300028789605	1	56	0.0	-87.98	407.68	6.24	-81.74
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1=CON=C1)C2	REAL300028789606	0	51	0.0	-71.02	384.25	3.69	-67.33
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1=CON=C1)C2	REAL300028789606	1	51	0.0	-88.59	366.09	4.94	-83.65
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(F)CCOC1)C2	REAL300028789607	0	53	0.0	-76.88	389.88	2.59	-74.29
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(F)CCOC1)C2	REAL300028789607	1	53	0.0	-66.07	375.96	2.44	-63.63
CC(C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C)C(C)(C)C	REAL300028789608	0	60	0.0	-65.77	418.60	5.47	-60.30
CC(C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C)C(C)(C)C	REAL300028789608	1	60	0.0	-79.92	412.55	5.27	-74.65
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1=CC=CN=C1)C2	REAL300028789609	0	54	0.0	-71.95	401.12	4.62	-67.33
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1=CC=CN=C1)C2	REAL300028789609	1	54	0.0	-80.40	382.12	5.81	-74.59
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=NNN=C1)C2	REAL300028789610	0	48	0.0	-64.12	359.26	0.87	-63.25
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=NNN=C1)C2	REAL300028789610	1	48	0.0	-74.06	365.10	1.12	-72.94
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CO)C2	REAL300028789611	0	46	0.0	-81.53	334.04	1.28	-80.25
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CO)C2	REAL300028789611	1	46	0.0	-81.46	333.93	1.26	-80.20
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C=CC(N)=O)C2	REAL300028789612	0	50	0.0	-71.60	385.56	-0.03	-71.63
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C=CC(N)=O)C2	REAL300028789612	1	50	0.0	-66.12	375.18	0.09	-66.03
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=NC(N)=NN1)C2	REAL300028789613	0	50	0.0	-82.65	354.58	3.75	-78.90
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=NC(N)=NN1)C2	REAL300028789613	1	50	0.0	-75.96	381.31	2.99	-72.97
COC(=O)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789614	0	51	0.0	-86.29	369.52	5.43	-80.86
COC(=O)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789614	1	51	0.0	-71.63	378.22	4.30	-67.33
C#CCSCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789615	0	51	0.0	-83.43	389.23	6.59	-76.84
C#CCSCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789615	1	51	0.0	-83.32	388.72	6.60	-76.72
CSC=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789616	0	50	0.0	-77.34	388.83	4.15	-73.19
CSC=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789616	1	50	0.0	-71.75	390.21	4.45	-67.30
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(CO)CCC1)C2	REAL300028789617	0	56	0.0	-84.98	383.34	2.53	-82.45
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(CO)CCC1)C2	REAL300028789617	1	56	0.0	-86.00	404.05	1.26	-84.74
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCC(N)=O)C2	REAL300028789618	0	52	0.0	-76.36	392.47	0.30	-76.06
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCC(N)=O)C2	REAL300028789618	1	52	0.0	-69.16	394.22	0.18	-68.98
C=CCC1(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)CC1	REAL300028789619	0	56	0.0	-71.77	417.04	5.79	-65.98
C=CCC1(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)CC1	REAL300028789619	1	56	0.0	-81.96	416.12	5.60	-76.36
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)COC(F)F)C2	REAL300028789620	0	49	0.0	-79.03	367.89	3.91	-75.12
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)COC(F)F)C2	REAL300028789620	1	49	0.0	-79.20	368.02	3.92	-75.28
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CCCS1)C2	REAL300028789621	0	51	0.0	-64.61	384.76	4.58	-60.03
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CCCS1)C2	REAL300028789621	1	51	0.0	-79.04	389.68	4.51	-74.53
CC1=NOC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)C1	REAL300028789622	0	53	0.0	-97.54	386.30	4.73	-92.81
CC1=NOC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)C1	REAL300028789622	1	53	0.0	-86.20	397.84	4.25	-81.95
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(=O)NC1CC1)C2	REAL300028789623	0	53	0.0	-74.31	391.01	3.06	-71.25
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(=O)NC1CC1)C2	REAL300028789623	1	53	0.0	-73.27	401.22	2.06	-71.21
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC(N)=NN1)C2	REAL300028789624	0	51	0.0	-84.34	374.24	2.11	-82.23
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC(N)=NN1)C2	REAL300028789624	1	51	0.0	-79.11	385.57	1.10	-78.01
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCSC1)C2	REAL300028789625	0	53	0.0	-82.30	375.29	5.54	-76.76
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCSC1)C2	REAL300028789625	1	53	0.0	-82.09	392.85	4.60	-77.49
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCO1)C2	REAL300028789626	0	50	0.0	-87.41	359.74	3.76	-83.65
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCO1)C2	REAL300028789626	1	50	0.0	-76.95	371.98	3.18	-73.77
CCCC(O)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789627	0	58	0.0	-79.21	406.72	5.47	-73.74
CCCC(O)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789627	1	58	0.0	-79.37	407.07	5.55	-73.82
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(C)(C)CC#N)C2	REAL300028789628	0	55	0.0	-69.09	395.26	4.20	-64.89
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(C)(C)CC#N)C2	REAL300028789628	1	55	0.0	-77.77	402.34	4.60	-73.17
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(Cl)CC1)C2	REAL300028789629	1	49	0.0	-77.03	375.51	4.48	-72.55
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(Cl)CC1)C2	REAL300028789629	1	49	0.0	-79.72	379.98	4.38	-75.34
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CCCO1)C2	REAL300028789630	0	51	0.0	-78.87	369.78	4.51	-74.36
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CCCO1)C2	REAL300028789630	1	51	0.0	-60.84	371.31	3.34	-57.50
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(CO)COC1)C2	REAL300028789631	0	54	0.0	-83.98	378.08	-0.02	-84.00
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(CO)COC1)C2	REAL300028789631	1	54	0.0	-88.81	391.66	-1.23	-90.04
CC(C)=CCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789632	0	58	0.0	-62.13	429.44	6.05	-56.08
CC(C)=CCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789632	1	58	0.0	-72.85	429.01	6.49	-66.36
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1COC1)C2	REAL300028789633	0	50	0.0	-73.84	371.70	1.93	-71.91
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1COC1)C2	REAL300028789633	1	50	0.0	-74.98	372.38	2.19	-72.79
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=C(C#N)CCC1)C2	REAL300028789634	0	54	0.0	-92.27	399.29	5.41	-86.86
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=C(C#N)CCC1)C2	REAL300028789634	1	54	0.0	-68.42	395.68	5.33	-63.09
CC1CCC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)O1	REAL300028789635	0	56	0.0	-86.47	406.33	4.46	-82.01
CC1CCC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)O1	REAL300028789635	1	56	0.0	-71.61	400.49	4.37	-67.24
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=NNC=C1N)C2	REAL300028789636	0	51	0.0	-85.06	351.80	1.98	-83.08
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=NNC=C1N)C2	REAL300028789636	1	51	0.0	-64.64	383.18	0.55	-64.09
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C=CCO)C2	REAL300028789637	0	50	0.0	-88.87	379.38	0.76	-88.11
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C=CCO)C2	REAL300028789637	1	50	0.0	-85.25	377.88	0.49	-84.76
CC1=NC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)=NN1	REAL300028789638	0	51	0.0	-97.13	361.88	3.72	-93.41
CC1=NC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)=NN1	REAL300028789638	1	51	0.0	-86.02	377.57	4.16	-81.86
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@@H]1C[C@@H]1C(F)F)C2	REAL300028789639	0	52	0.0	-65.81	382.14	4.96	-60.85
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@@H]1C[C@@H]1C(F)F)C2	REAL300028789639	1	52	0.0	-76.42	392.04	5.46	-70.96
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=COC(=O)N1)C2	REAL300028789640	0	49	0.0	-70.55	384.18	0.17	-70.38
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=COC(=O)N1)C2	REAL300028789640	1	49	0.0	-85.41	377.13	0.75	-84.66
CC=CC(O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789641	0	53	0.0	-72.62	395.44	2.56	-70.06
CC=CC(O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789641	1	53	0.0	-78.99	361.20	4.36	-74.63
CCCC[C@H](C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789642	0	60	0.0	-80.61	434.59	5.95	-74.66
CCCC[C@H](C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789642	1	60	0.0	-81.65	429.36	6.03	-75.62
C[C@@H](C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C)N(C)C	REAL300028789643	1	56	0.0	-80.14	393.03	1.49	-78.65
C[C@@H](C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C)N(C)C	REAL300028789643	1	56	0.0	-72.66	397.03	1.89	-70.77
CCC=C(F)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789644	0	52	0.0	-75.42	390.66	4.52	-70.90
CCC=C(F)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789644	1	52	0.0	-71.19	390.69	4.73	-66.46
CCC=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789645	0	52	0.0	-79.23	387.88	4.60	-74.63
CCC=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789645	1	52	0.0	-84.23	389.36	4.88	-79.35
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CNC(=O)C1)C2	REAL300028789646	0	53	0.0	-71.66	389.86	0.67	-70.99
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CNC(=O)C1)C2	REAL300028789646	1	53	0.0	-81.48	389.77	0.79	-80.69
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=NON=C1N)C2	REAL300028789647	1	49	0.0	-63.00	377.90	1.24	-61.76
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=NON=C1N)C2	REAL300028789647	1	49	0.0	-75.06	374.74	1.81	-73.25
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@@H]1CNC(=O)N1)C2	REAL300028789648	0	52	0.0	-94.96	386.28	-1.38	-96.34
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@@H]1CNC(=O)N1)C2	REAL300028789648	1	52	0.0	-74.17	391.51	-1.66	-75.83
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CN=CS1)C2	REAL300028789649	1	48	0.0	-79.65	375.64	2.86	-76.79
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CN=CS1)C2	REAL300028789649	1	48	0.0	-66.90	367.32	2.45	-64.45
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCN=[N+]=[N-])C2	REAL300028789650	0	50	0.0	-73.44	384.94	0.08	-73.36
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCN=[N+]=[N-])C2	REAL300028789650	1	50	0.0	-74.60	385.63	0.34	-74.26
C#CCOCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789651	0	51	0.0	-83.84	384.08	5.06	-78.78
C#CCOCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789651	1	51	0.0	-83.95	384.05	5.07	-78.88
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1=NN=CO1)C2	REAL300028789652	0	50	0.0	-72.45	388.23	-1.77	-74.22
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1=NN=CO1)C2	REAL300028789652	1	50	0.0	-80.48	385.61	-1.11	-81.59
CN(CCO)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789653	0	57	0.0	-78.56	401.25	1.71	-76.85
CN(CCO)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789653	1	57	0.0	-77.78	379.68	2.02	-75.76
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCCS1)C2	REAL300028789654	0	53	0.0	-75.37	379.17	6.23	-69.14
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCCS1)C2	REAL300028789654	1	53	0.0	-85.41	393.46	5.18	-80.23
COC(C)(C)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789655	0	58	0.0	-67.01	418.73	4.61	-62.40
COC(C)(C)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789655	1	58	0.0	-73.37	417.28	4.69	-68.68
CC(O)CCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789656	0	55	0.0	-73.20	408.78	1.99	-71.21
CC(O)CCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789656	1	55	0.0	-62.85	409.03	1.54	-61.31
CCS(O)=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789657	0	53	0.0	-71.35	404.27	0.72	-70.63
CCS(O)=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789657	1	53	0.0	-78.24	405.64	1.03	-77.21
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CN1C=CC=C1)C2	REAL300028789658	0	53	0.0	-71.23	392.44	5.70	-65.53
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CN1C=CC=C1)C2	REAL300028789658	1	53	0.0	-70.27	392.59	5.75	-64.52
C#CCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789659	0	50	0.0	-72.72	382.07	4.75	-67.97
C#CCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789659	1	50	0.0	-73.90	382.75	5.01	-68.89
CC(=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C)C(C)C	REAL300028789660	0	58	0.0	-77.50	418.36	5.68	-71.82
CC(=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C)C(C)C	REAL300028789660	1	58	0.0	-78.67	417.14	5.95	-72.72
COC1(CC(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)CC1	REAL300028789661	0	56	0.0	-75.23	416.86	4.00	-71.23
COC1(CC(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)CC1	REAL300028789661	1	56	0.0	-64.80	418.72	3.90	-60.90
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1CC1(F)F)C2	REAL300028789662	0	52	0.0	-68.43	390.22	5.14	-63.29
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1CC1(F)F)C2	REAL300028789662	1	52	0.0	-82.75	381.54	6.49	-76.26
CC[C@H](C)[C@H](O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789663	0	58	0.0	-80.07	385.42	3.46	-76.61
CC[C@H](C)[C@H](O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789663	1	58	0.0	-79.89	405.82	2.80	-77.09
CC=CC=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789664	0	53	0.0	-60.98	393.95	5.50	-55.48
CC=CC=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789664	1	53	0.0	-67.04	404.33	5.37	-61.67
CN1N=CN=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789665	0	51	0.0	-75.27	383.53	4.79	-70.48
CN1N=CN=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789665	1	51	0.0	-64.18	377.73	4.56	-59.62
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@@H]1CC[C@@H](O)C1)C2	REAL300028789666	0	56	0.0	-73.75	409.49	1.99	-71.76
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@@H]1CC[C@@H](O)C1)C2	REAL300028789666	1	56	0.0	-70.91	401.05	1.76	-69.15
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C=CS(C)=O)C2	REAL300028789667	0	51	0.0	-81.74	401.37	1.72	-80.02
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C=CS(C)=O)C2	REAL300028789667	1	51	0.0	-92.50	398.98	1.58	-90.92
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@@H]1CC=CCC1)C2	REAL300028789668	0	56	0.0	-74.20	408.65	6.03	-68.17
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@@H]1CC=CCC1)C2	REAL300028789668	1	56	0.0	-80.16	383.35	6.66	-73.50
COCC=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789669	0	53	0.0	-84.16	400.14	2.89	-81.27
COCC=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789669	1	53	0.0	-87.39	401.63	3.16	-84.23
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC3CC3C1)C2	REAL300028789670	0	56	0.0	-64.80	397.85	5.66	-59.14
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC3CC3C1)C2	REAL300028789670	1	56	0.0	-64.56	397.35	5.88	-58.68
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCS(C)=O)C2	REAL300028789671	0	53	0.0	-76.47	409.05	2.06	-74.41
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCS(C)=O)C2	REAL300028789671	1	53	0.0	-76.87	409.73	2.32	-74.55
CC1CN(CC(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)C1	REAL300028789672	0	57	0.0	-70.08	419.92	2.30	-67.78
CC1CN(CC(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)C1	REAL300028789672	1	57	0.0	-67.17	418.98	2.40	-64.77
CCC(C)(O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789673	0	55	0.0	-61.37	385.33	1.57	-59.80
CCC(C)(O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789673	1	55	0.0	-73.11	397.32	1.87	-71.24
C#CCC(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789674	0	53	0.0	-63.29	390.53	5.16	-58.13
C#CCC(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789674	1	53	0.0	-80.86	378.77	6.19	-74.67
C=CC(O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789675	0	50	0.0	-79.17	355.49	2.99	-76.18
C=CC(O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789675	1	50	0.0	-67.67	374.18	1.67	-66.00
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCCN=[N+]=[N-])C2	REAL300028789676	0	53	0.0	-73.09	406.40	0.88	-72.21
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCCN=[N+]=[N-])C2	REAL300028789676	1	53	0.0	-73.96	407.11	1.14	-72.82
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1OCC1(C)C)C2	REAL300028789677	0	56	0.0	-65.73	404.79	3.47	-62.26
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1OCC1(C)C)C2	REAL300028789677	1	56	0.0	-76.04	401.03	3.99	-72.05
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C13CC1CC3)C2	REAL300028789678	0	53	0.0	-82.56	387.53	5.14	-77.42
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C13CC1CC3)C2	REAL300028789678	1	53	0.0	-81.80	388.45	5.17	-76.63
CCCC(C)=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789679	0	58	0.0	-64.32	427.16	6.29	-58.03
CCCC(C)=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789679	1	58	0.0	-78.07	421.82	6.25	-71.82
C=C[C@H](C)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789680	0	55	0.0	-72.84	406.48	5.62	-67.22
C=C[C@H](C)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789680	1	55	0.0	-63.52	397.28	5.30	-58.22
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C=CC1CC1)C2	REAL300028789681	0	53	0.0	-78.17	389.07	6.72	-71.45
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C=CC1CC1)C2	REAL300028789681	1	53	0.0	-65.46	400.24	5.64	-59.82
CC1=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)C=NO1	REAL300028789682	0	51	0.0	-81.78	377.37	4.75	-77.03
CC1=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)C=NO1	REAL300028789682	1	51	0.0	-67.19	382.54	3.68	-63.51
CC(C)CC(=O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789683	0	56	0.0	-74.31	396.89	5.63	-68.68
CC(C)CC(=O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789683	1	56	0.0	-75.07	407.57	4.67	-70.40
CC1CC1(C#N)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789684	0	53	0.0	-70.50	400.35	4.88	-65.62
CC1CC1(C#N)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789684	1	53	0.0	-85.79	384.51	6.13	-79.66
CCC(C#N)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789685	0	52	0.0	-81.49	392.31	4.16	-77.33
CCC(C#N)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789685	1	52	0.0	-83.76	374.51	5.25	-78.51
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@@H]1CNC(=O)O1)C2	REAL300028789686	0	51	0.0	-101.69	372.82	1.05	-100.64
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@@H]1CNC(=O)O1)C2	REAL300028789686	1	51	0.0	-91.76	345.15	2.98	-88.78
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1C3CCC31)C2	REAL300028789687	0	53	0.0	-66.61	387.84	5.46	-61.15
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1C3CCC31)C2	REAL300028789687	1	53	0.0	-73.89	392.63	5.83	-68.06
C=C1CCC1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789688	0	53	0.0	-79.74	363.01	6.14	-73.60
C=C1CCC1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789688	1	53	0.0	-80.51	366.80	5.98	-74.53
C[C@H]1C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)[C@H]1C	REAL300028789689	0	55	0.0	-66.22	397.08	5.14	-61.08
C[C@H]1C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)[C@H]1C	REAL300028789689	1	55	0.0	-63.54	383.23	5.01	-58.53
CCN(C)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789690	1	56	0.0	-85.82	383.24	3.79	-82.03
CCN(C)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789690	1	56	0.0	-78.77	380.90	3.03	-75.74
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC3(C1)N=N3)C2	REAL300028789691	0	52	0.0	-74.08	393.86	-0.32	-74.40
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC3(C1)N=N3)C2	REAL300028789691	1	52	0.0	-67.04	385.50	-0.32	-67.36
CC(O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789692	0	49	0.0	-66.38	347.52	0.87	-65.51
CC(O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789692	1	49	0.0	-82.62	350.31	1.77	-80.85
CC(=O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789693	0	47	0.0	-74.95	348.03	2.49	-72.46
CC(=O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789693	1	47	0.0	-73.58	342.44	3.40	-70.18
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CNN=C1N)C2	REAL300028789694	0	51	0.0	-81.13	386.46	1.10	-80.03
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CNN=C1N)C2	REAL300028789694	1	51	0.0	-91.46	386.62	1.09	-90.37
CC(NC(N)=O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789695	0	54	0.0	-76.94	405.42	-0.98	-77.92
CC(NC(N)=O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789695	1	54	0.0	-82.02	405.40	-0.81	-82.83
CCOC(=O)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789696	0	54	0.0	-86.98	391.39	6.34	-80.64
CCOC(=O)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789696	1	54	0.0	-71.26	400.09	5.23	-66.03
CC1=CC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)=CN1	REAL300028789698	0	53	0.0	-83.19	398.08	4.04	-79.15
CC1=CC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)=CN1	REAL300028789698	1	53	0.0	-77.97	398.01	3.94	-74.03
COCC(C)(O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789699	0	56	0.0	-77.10	392.64	1.29	-75.81
COCC(C)(O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789699	1	56	0.0	-76.35	392.02	1.44	-74.91
CC1=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)CCC1	REAL300028789700	0	56	0.0	-79.96	398.31	5.74	-74.22
CC1=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)CCC1	REAL300028789700	1	56	0.0	-92.05	382.54	6.19	-85.86
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCCC#N)C2	REAL300028789701	0	52	0.0	-78.06	397.13	4.75	-73.31
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCCC#N)C2	REAL300028789701	1	52	0.0	-78.82	397.83	5.01	-73.81
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(C#N)CC1)C2	REAL300028789702	0	50	0.0	-76.84	379.05	4.17	-72.67
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(C#N)CC1)C2	REAL300028789702	1	50	0.0	-77.37	378.95	4.25	-73.12
C=C1CC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)C1	REAL300028789703	0	53	0.0	-82.01	382.68	6.31	-75.70
C=C1CC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)C1	REAL300028789703	1	53	0.0	-79.48	373.37	6.23	-73.25
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@]13C[C@H]1[C@H](O)C3)C2	REAL300028789704	0	54	0.0	-75.92	403.19	1.96	-73.96
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@]13C[C@H]1[C@H](O)C3)C2	REAL300028789704	1	54	0.0	-87.72	386.91	2.85	-84.87
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCCCCF)C2	REAL300028789705	0	57	0.0	-66.87	429.41	5.39	-61.48
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCCCCF)C2	REAL300028789705	1	57	0.0	-66.22	417.50	5.94	-60.28
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C13CC(C1)CO3)C2	REAL300028789706	0	54	0.0	-81.74	381.99	4.70	-77.04
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C13CC(C1)CO3)C2	REAL300028789706	1	54	0.0	-70.14	396.98	3.77	-66.37
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCC(C)(C)F)C2	REAL300028789707	0	57	0.0	-74.56	420.30	5.56	-69.00
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCC(C)(C)F)C2	REAL300028789707	1	57	0.0	-71.59	421.01	5.82	-65.77
CCC=CC=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789708	0	56	0.0	-61.04	415.05	6.25	-54.79
CCC=CC=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789708	1	56	0.0	-66.99	425.43	6.13	-60.86
CN(CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C)C(N)=O	REAL300028789709	0	54	0.0	-79.01	406.05	0.87	-78.14
CN(CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C)C(N)=O	REAL300028789709	1	54	0.0	-75.37	396.33	0.86	-74.51
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(F)CC1)C2	REAL300028789711	0	49	0.0	-75.75	366.40	3.98	-71.77
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(F)CC1)C2	REAL300028789711	1	49	0.0	-78.98	369.21	3.99	-74.99
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(C)(O)C1CC1)C2	REAL300028789712	0	56	0.0	-78.47	398.71	1.71	-76.76
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(C)(O)C1CC1)C2	REAL300028789712	1	56	0.0	-76.89	404.80	2.42	-74.47
CC1=NC=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)O1	REAL300028789713	0	51	0.0	-94.14	361.04	2.22	-91.92
CC1=NC=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)O1	REAL300028789713	1	51	0.0	-76.62	388.57	1.23	-75.39
COC(C)(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789714	0	55	0.0	-58.84	385.23	3.12	-55.72
COC(C)(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789714	1	55	0.0	-67.74	391.48	2.97	-64.77
CC(CC#N)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789715	0	52	0.0	-68.81	384.10	4.33	-64.48
CC(CC#N)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789715	1	52	0.0	-77.98	394.16	4.60	-73.38
CCC1CC1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789716	0	55	0.0	-78.16	397.60	5.46	-72.70
CCC1CC1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789716	1	55	0.0	-76.80	368.96	6.18	-70.62
C[C@@H](C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C)C(C)(C)O	REAL300028789717	0	58	0.0	-80.92	405.95	2.40	-78.52
C[C@@H](C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C)C(C)(C)O	REAL300028789717	1	58	0.0	-74.33	414.54	1.78	-72.55
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1COC(=O)O1)C2	REAL300028789718	0	50	0.0	-85.71	380.07	3.75	-81.96
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1COC(=O)O1)C2	REAL300028789718	1	50	0.0	-101.40	376.51	3.57	-97.83
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C13CC(C1)OC3)C2	REAL300028789719	0	54	0.0	-85.77	379.71	3.99	-81.78
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C13CC(C1)OC3)C2	REAL300028789719	1	54	0.0	-84.73	393.01	2.82	-81.91
CC(O)C1CC1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789720	0	56	0.0	-62.71	406.56	2.53	-60.18
CC(O)C1CC1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789720	1	56	0.0	-77.64	400.92	3.90	-73.74
C[C@@H]1C[C@@]2(C(=O)N3CCCC4(C3)C(NC(=O)C3=CC(=O)[N-]O3)CC[N@@H+]4C)C[C@@H]12	REAL300028789721	0	56	0.0	-64.05	406.90	5.76	-58.29
C[C@@H]1C[C@@]2(C(=O)N3CCCC4(C3)C(NC(=O)C3=CC(=O)[N-]O3)CC[N@H+]4C)C[C@@H]12	REAL300028789721	1	56	0.0	-67.37	406.06	5.84	-61.53
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CN1C=NC=N1)C2	REAL300028789722	0	51	0.0	-72.73	381.27	5.22	-67.51
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CN1C=NC=N1)C2	REAL300028789722	1	51	0.0	-84.11	390.47	5.52	-78.59
CC(C[NH+](C)C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CCN2C	REAL300028789723	1	59	0.0	-68.98	427.04	3.14	-65.84
C=CC(C)(O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789724	0	53	0.0	-81.47	382.04	1.37	-80.10
C=CC(C)(O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789724	1	53	0.0	-76.29	389.34	1.45	-74.84
CCC(C)(CO)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789725	0	58	0.0	-74.23	408.51	1.44	-72.79
CCC(C)(CO)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789725	1	58	0.0	-74.23	408.79	1.41	-72.82
CN(C)C1(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)CC1	REAL300028789726	0	57	0.0	-81.44	409.84	2.02	-79.42
CN(C)C1(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)CC1	REAL300028789726	1	57	0.0	-81.75	405.75	2.44	-79.31
CCCC=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789727	0	55	0.0	-61.30	401.37	5.60	-55.70
CCCC=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789727	1	55	0.0	-84.16	410.86	5.66	-78.50
CC=C(F)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789728	0	49	0.0	-64.36	371.64	4.04	-60.32
CC=C(F)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789728	1	49	0.0	-72.13	371.02	4.28	-67.85
CCC(C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C)C(C)C	REAL300028789729	0	60	0.0	-70.63	423.46	5.65	-64.98
CCC(C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C)C(C)C	REAL300028789729	1	60	0.0	-81.40	390.71	5.97	-75.43
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=COC(C#N)=C1)C2	REAL300028789730	0	50	0.0	-89.20	383.83	3.27	-85.93
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=COC(C#N)=C1)C2	REAL300028789730	1	50	0.0	-92.06	377.28	5.34	-86.72
C[C@H](C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C)N(C)C	REAL300028789731	1	56	0.0	-79.47	391.53	1.43	-78.04
C[C@H](C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C)N(C)C	REAL300028789731	1	56	0.0	-81.05	394.94	1.86	-79.19
CC(C)C(CO)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789732	0	58	0.0	-80.68	417.38	2.10	-78.58
CC(C)C(CO)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789732	1	58	0.0	-63.00	420.06	1.50	-61.50
CCOC=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789733	0	53	0.0	-60.77	391.83	3.69	-57.08
CCOC=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789733	1	53	0.0	-79.71	401.30	3.74	-75.97
CCN1CCC1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789734	0	57	0.0	-81.20	398.82	3.14	-78.06
CCN1CCC1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789734	1	57	0.0	-81.45	382.53	5.13	-76.32
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC(O)C(N)=O)C2	REAL300028789735	0	53	0.0	-92.82	372.29	-0.03	-92.85
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC(O)C(N)=O)C2	REAL300028789735	1	53	0.0	-81.40	383.00	-0.28	-81.68
CCC(C)=C(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789736	0	58	0.0	-61.70	417.29	5.78	-55.92
CCC(C)=C(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789736	1	58	0.0	-80.89	419.63	6.09	-74.80
COC1(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)CCC1	REAL300028789737	0	56	0.0	-65.15	385.92	3.30	-61.85
COC1(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)CCC1	REAL300028789737	1	56	0.0	-78.06	386.08	4.72	-73.34
C=CCCC(=O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789738	0	54	0.0	-75.22	403.64	4.64	-70.58
C=CCCC(=O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789738	1	54	0.0	-65.51	410.59	4.70	-60.81
CC(O)CCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789739	0	58	0.0	-74.54	430.27	2.76	-71.78
CC(O)CCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789739	1	58	0.0	-73.45	429.58	2.50	-70.95
CC(=O)OCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789740	0	51	0.0	-79.47	379.70	5.17	-74.30
CC(=O)OCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789740	1	51	0.0	-66.50	382.47	4.39	-62.11
CC(=O)NCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789741	0	55	0.0	-80.36	415.57	1.78	-78.58
CC(=O)NCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789741	1	55	0.0	-81.29	416.26	2.04	-79.25
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CNC(=O)N1)C2	REAL300028789742	0	50	0.0	-88.48	380.93	0.34	-88.14
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CNC(=O)N1)C2	REAL300028789742	1	50	0.0	-82.40	375.63	0.55	-81.85
CN1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(C)(C)[NH+](C)C)C2	REAL300028789743	1	59	0.0	-57.38	409.09	2.42	-54.96
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(F)(F)CO)C2	REAL300028789744	1	49	0.0	-63.26	364.80	0.63	-62.63
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(F)(F)CO)C2	REAL300028789744	1	49	0.0	-67.50	376.49	0.77	-66.73
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C#CC1(C)CC1)C2	REAL300028789745	0	54	0.0	-84.63	404.02	7.37	-77.26
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C#CC1(C)CC1)C2	REAL300028789745	1	54	0.0	-84.09	413.05	6.08	-78.01
CC(=O)C=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789746	0	51	0.0	-69.73	392.44	3.84	-65.89
CC(=O)C=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789746	1	51	0.0	-78.00	390.05	3.71	-74.29
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)COC1CC1)C2	REAL300028789747	0	53	0.0	-67.66	391.22	4.49	-63.17
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)COC1CC1)C2	REAL300028789747	1	53	0.0	-84.17	384.74	5.18	-78.99
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=NC=CN1)C2	REAL300028789748	0	49	0.0	-74.34	361.33	4.19	-70.15
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=NC=CN1)C2	REAL300028789748	1	49	0.0	-61.08	361.39	3.01	-58.07
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C=CC1CCC1)C2	REAL300028789749	0	56	0.0	-81.21	410.20	6.10	-75.11
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C=CC1CCC1)C2	REAL300028789749	1	56	0.0	-66.65	416.75	6.16	-60.49
CSC(C)(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789750	0	55	0.0	-62.80	391.56	4.38	-58.42
CSC(C)(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789750	1	55	0.0	-68.44	398.70	4.30	-64.14
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=NN=CS1)C2	REAL300028789751	1	47	0.0	-77.14	342.30	3.01	-74.13
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=NN=CS1)C2	REAL300028789751	1	47	0.0	-75.19	370.76	2.13	-73.06
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC(=O)CO1)C2	REAL300028789752	0	52	0.0	-85.09	379.33	3.65	-81.44
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC(=O)CO1)C2	REAL300028789752	1	52	0.0	-70.03	376.47	2.70	-67.33
CC(C)NC(=O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789753	0	55	0.0	-61.39	402.82	1.82	-59.57
CC(C)NC(=O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789753	1	55	0.0	-71.19	412.37	1.84	-69.35
C=C(Cl)CCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789754	0	52	0.0	-70.63	406.12	5.32	-65.31
C=C(Cl)CCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789754	1	52	0.0	-68.91	407.86	5.21	-63.70
CC1=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)CCO1	REAL300028789755	0	54	0.0	-80.04	386.48	3.91	-76.13
CC1=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)CCO1	REAL300028789755	1	54	0.0	-78.82	377.17	4.99	-73.83
CN1C=CN=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789756	0	52	0.0	-74.74	378.26	5.94	-68.80
CN1C=CN=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789756	1	52	0.0	-63.05	383.18	4.56	-58.49
CC(CO)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789757	0	52	0.0	-63.42	375.42	0.67	-62.75
CC(CO)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789757	1	52	0.0	-75.30	385.56	0.95	-74.35
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CON=C1)C2	REAL300028789758	0	48	0.0	-66.35	368.49	2.50	-63.85
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CON=C1)C2	REAL300028789758	1	48	0.0	-65.54	356.96	3.03	-62.51
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCCCO)C2	REAL300028789759	0	55	0.0	-65.98	412.74	1.13	-64.85
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCCCO)C2	REAL300028789759	1	55	0.0	-74.71	409.89	1.94	-72.77
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(=O)C1CC1)C2	REAL300028789760	0	51	0.0	-89.04	378.72	5.27	-83.77
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(=O)C1CC1)C2	REAL300028789760	1	51	0.0	-74.92	371.21	5.28	-69.64
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@@H]1COC(=O)N1)C2	REAL300028789761	0	51	0.0	-83.81	386.86	0.05	-83.76
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@@H]1COC(=O)N1)C2	REAL300028789761	1	51	0.0	-76.19	387.64	-0.56	-76.75
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1(O)CC1)C2	REAL300028789762	0	53	0.0	-65.54	399.53	1.54	-64.00
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1(O)CC1)C2	REAL300028789762	1	53	0.0	-75.53	397.35	1.75	-73.78
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCC1F)C2	REAL300028789763	0	52	0.0	-76.67	374.20	5.84	-70.83
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCC1F)C2	REAL300028789763	1	52	0.0	-72.25	387.00	5.01	-67.24
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(F)C1CCC1)C2	REAL300028789764	0	55	0.0	-86.77	391.88	6.42	-80.35
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(F)C1CCC1)C2	REAL300028789764	1	55	0.0	-77.29	380.51	6.57	-70.72
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC(C)(C)O1)C2	REAL300028789765	0	56	0.0	-88.63	399.92	5.04	-83.59
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC(C)(C)O1)C2	REAL300028789765	1	56	0.0	-88.50	401.86	5.08	-83.42
C#CC1=CC=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)O1	REAL300028789766	0	51	0.0	-83.52	390.33	6.21	-77.31
C#CC1=CC=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)O1	REAL300028789766	1	51	0.0	-77.32	400.01	5.37	-71.95
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@@H]1C[C@H]1CF)C2	REAL300028789767	0	52	0.0	-81.26	364.00	6.21	-75.05
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@@H]1C[C@H]1CF)C2	REAL300028789767	1	52	0.0	-69.63	387.73	4.91	-64.72
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(F)=C1CCC1)C2	REAL300028789768	0	53	0.0	-74.47	375.13	6.78	-67.69
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(F)=C1CCC1)C2	REAL300028789768	1	53	0.0	-76.13	396.52	5.18	-70.95
CCC(CO)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789769	0	55	0.0	-69.06	404.42	1.43	-67.63
CCC(CO)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789769	1	55	0.0	-68.10	403.87	0.78	-67.32
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(F)C(C)(C)O)C2	REAL300028789770	0	55	0.0	-81.74	375.85	4.33	-77.41
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(F)C(C)(C)O)C2	REAL300028789770	1	55	0.0	-73.34	404.15	1.66	-71.68
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC(O)C1CC1)C2	REAL300028789771	0	56	0.0	-67.48	405.66	3.50	-63.98
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC(O)C1CC1)C2	REAL300028789771	1	56	0.0	-79.95	392.43	5.68	-74.27
CC(C)CC(F)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789772	0	57	0.0	-76.21	418.67	5.56	-70.65
CC(C)CC(F)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789772	1	57	0.0	-63.66	412.55	5.30	-58.36
CC(=CC1CC1)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789773	0	56	0.0	-72.48	419.22	6.17	-66.31
CC(=CC1CC1)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789773	1	56	0.0	-79.67	417.99	5.89	-73.78
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@@H]1C[C@@H]1C#N)C2	REAL300028789774	0	50	0.0	-74.14	375.99	4.32	-69.82
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@@H]1C[C@@H]1C#N)C2	REAL300028789774	1	50	0.0	-74.27	376.22	4.33	-69.94
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1=CN=CO1)C2	REAL300028789775	0	51	0.0	-71.36	381.70	1.26	-70.10
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1=CN=CO1)C2	REAL300028789775	1	51	0.0	-71.33	381.85	1.31	-70.02
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=COCC1)C2	REAL300028789776	0	51	0.0	-80.66	369.37	3.11	-77.55
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=COCC1)C2	REAL300028789776	1	51	0.0	-68.53	376.69	3.01	-65.52
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCC(C)(C)O)C2	REAL300028789777	0	58	0.0	-72.04	424.68	2.27	-69.77
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCC(C)(C)O)C2	REAL300028789777	1	58	0.0	-73.82	425.35	2.50	-71.32
CC1=CC=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)N1	REAL300028789778	0	53	0.0	-79.18	396.63	4.58	-74.60
CC1=CC=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)N1	REAL300028789778	1	53	0.0	-85.28	394.48	4.03	-81.25
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(O)CC1)C2	REAL300028789779	0	50	0.0	-84.85	355.99	1.13	-83.72
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(O)CC1)C2	REAL300028789779	1	50	0.0	-75.43	372.45	1.45	-73.98
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CCC1)C2	REAL300028789780	0	50	0.0	-72.24	372.04	4.68	-67.56
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CCC1)C2	REAL300028789780	1	50	0.0	-80.93	370.14	4.34	-76.59
CC1CC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)=NO1	REAL300028789781	0	53	0.0	-66.40	397.93	3.30	-63.10
CC1CC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)=NO1	REAL300028789781	1	53	0.0	-75.29	397.75	3.34	-71.95
CC(CF)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789782	0	51	0.0	-72.79	379.58	4.12	-68.67
CC(CF)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789782	1	51	0.0	-80.60	357.38	4.99	-75.61
CC(Cl)=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789783	0	49	0.0	-86.63	380.61	4.63	-82.00
CC(Cl)=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789783	1	49	0.0	-68.10	380.32	4.54	-63.56
CC=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789784	0	49	0.0	-78.61	366.79	3.84	-74.77
CC=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789784	1	49	0.0	-84.14	368.27	4.13	-80.01
CCC(F)(F)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789785	1	51	0.0	-75.87	384.91	4.48	-71.39
CCC(F)(F)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789785	1	51	0.0	-61.37	385.94	3.65	-57.72
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(C)CC1F)C2	REAL300028789786	0	52	0.0	-77.72	388.95	4.89	-72.83
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(C)CC1F)C2	REAL300028789786	1	52	0.0	-71.59	388.75	4.59	-67.00
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@@H]1CCC(=O)O1)C2	REAL300028789787	0	52	0.0	-75.31	391.03	4.03	-71.28
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@@H]1CCC(=O)O1)C2	REAL300028789787	1	52	0.0	-94.77	392.20	4.15	-90.62
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C=CCF)C2	REAL300028789788	0	49	0.0	-74.29	373.98	4.41	-69.88
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C=CCF)C2	REAL300028789788	1	49	0.0	-83.57	372.97	3.97	-79.60
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(F)CC1CC1)C2	REAL300028789789	0	55	0.0	-84.07	387.39	6.81	-77.26
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(F)CC1CC1)C2	REAL300028789789	1	55	0.0	-66.66	414.81	5.73	-60.93
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@H]1COC(=O)N1)C2	REAL300028789790	0	51	0.0	-84.30	386.88	0.22	-84.08
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@H]1COC(=O)N1)C2	REAL300028789790	1	51	0.0	-98.06	382.59	-0.22	-98.28
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCCCC#N)C2	REAL300028789791	0	55	0.0	-70.57	422.17	4.99	-65.58
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCCCC#N)C2	REAL300028789791	1	55	0.0	-70.40	410.26	5.54	-64.86
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(CO)CC1)C2	REAL300028789792	0	53	0.0	-73.82	394.30	1.17	-72.65
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(CO)CC1)C2	REAL300028789792	1	53	0.0	-84.73	393.77	0.98	-83.75
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC=NO1)C2	REAL300028789793	0	48	0.0	-82.59	337.69	3.99	-78.60
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC=NO1)C2	REAL300028789793	1	48	0.0	-77.78	366.64	3.14	-74.64
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCC(=O)N1)C2	REAL300028789795	0	53	0.0	-75.04	390.29	1.11	-73.93
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCC(=O)N1)C2	REAL300028789795	1	53	0.0	-75.67	383.27	1.11	-74.56
C[C@H](O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789796	0	49	0.0	-71.72	363.19	1.12	-70.60
C[C@H](O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789796	1	49	0.0	-78.48	351.47	0.10	-78.38
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC=C(F)O1)C2	REAL300028789797	0	49	0.0	-62.79	380.98	3.27	-59.52
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC=C(F)O1)C2	REAL300028789797	1	49	0.0	-62.58	368.13	3.71	-58.87
CON=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789798	0	49	0.0	-70.65	377.21	1.99	-68.66
CON=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789798	1	49	0.0	-87.17	370.61	1.93	-85.24
C#CCC(C)(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789799	0	56	0.0	-64.62	401.68	5.06	-59.56
C#CCC(C)(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789799	1	56	0.0	-75.12	408.77	5.48	-69.64
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC(C)(F)C1)C2	REAL300028789800	0	55	0.0	-82.80	394.80	6.43	-76.37
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC(C)(F)C1)C2	REAL300028789800	1	55	0.0	-87.15	386.04	6.36	-80.79
CCC(C)(OC)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789801	0	58	0.0	-78.13	395.07	4.92	-73.21
CCC(C)(OC)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789801	1	58	0.0	-85.40	394.08	4.60	-80.80
CC(C)[C@H](O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789802	0	55	0.0	-80.94	394.77	2.25	-78.69
CC(C)[C@H](O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789802	1	55	0.0	-74.75	397.44	2.58	-72.17
C#CC1(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)CC1	REAL300028789803	0	51	0.0	-79.67	383.63	4.96	-74.71
C#CC1(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)CC1	REAL300028789803	1	51	0.0	-82.76	386.55	5.16	-77.60
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@H]1CCC(=O)O1)C2	REAL300028789804	0	52	0.0	-99.97	385.79	4.42	-95.55
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@H]1CCC(=O)O1)C2	REAL300028789804	1	52	0.0	-82.38	390.00	4.89	-77.49
C=CC=CCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789805	0	53	0.0	-65.52	394.44	5.39	-60.13
C=CC=CCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789805	1	53	0.0	-75.94	385.01	6.57	-69.37
C#CC1(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)CCC1	REAL300028789806	0	54	0.0	-81.35	393.81	6.59	-74.76
C#CC1(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)CCC1	REAL300028789806	1	54	0.0	-79.79	381.24	6.55	-73.24
CN1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2	REAL300028789807	1	57	0.0	-51.95	374.77	3.19	-48.76
CN1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@@H]1CCC[N@H+]1C)C2	REAL300028789807	1	57	0.0	-64.30	413.64	2.95	-61.35
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC=CCO1)C2	REAL300028789808	0	54	0.0	-84.63	381.39	4.96	-79.67
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC=CCO1)C2	REAL300028789808	1	54	0.0	-77.17	397.85	4.78	-72.39
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC(C)(C)C1)C2	REAL300028789809	0	56	0.0	-68.27	414.69	5.70	-62.57
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC(C)(C)C1)C2	REAL300028789809	1	56	0.0	-81.67	411.94	5.50	-76.17
C#C[C@H]1C[C@H]1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789810	0	51	0.0	-66.24	381.94	5.20	-61.04
C#C[C@H]1C[C@H]1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789810	1	51	0.0	-79.19	388.59	4.86	-74.33
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(N=[N+]=[N-])CC1)C2	REAL300028789811	0	51	0.0	-80.50	379.35	0.81	-79.69
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(N=[N+]=[N-])CC1)C2	REAL300028789811	1	51	0.0	-70.56	392.55	1.00	-69.56
CCC(CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C)OC	REAL300028789812	0	58	0.0	-84.56	414.86	5.01	-79.55
CCC(CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C)OC	REAL300028789812	1	58	0.0	-75.09	400.29	5.84	-69.25
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CSC=N1)C2	REAL300028789813	0	48	0.0	-88.12	347.20	4.31	-83.81
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CSC=N1)C2	REAL300028789813	1	48	0.0	-76.10	362.51	4.59	-71.51
CC=C(CC)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789814	0	55	0.0	-66.84	409.02	5.31	-61.53
CC=C(CC)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789814	1	55	0.0	-80.11	385.14	5.31	-74.80
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC13CC(C1)C3)C2	REAL300028789815	0	56	0.0	-71.73	408.57	6.15	-65.58
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC13CC(C1)C3)C2	REAL300028789815	1	56	0.0	-64.18	400.65	6.17	-58.01
C#CCC(CC#C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789816	0	55	0.0	-64.89	421.44	5.59	-59.30
C#CCC(CC#C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789816	1	55	0.0	-75.75	420.88	6.41	-69.34
CCC(C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C)C(C)O	REAL300028789817	0	58	0.0	-62.39	403.16	2.49	-59.90
CCC(C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C)C(C)O	REAL300028789817	1	58	0.0	-71.55	414.78	3.20	-68.35
COC(F)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789818	0	49	0.0	-65.52	363.36	2.21	-63.31
COC(F)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789818	1	49	0.0	-87.64	357.94	3.11	-84.53
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(C#N)=CC1CC1)C2	REAL300028789819	0	54	0.0	-73.71	399.29	6.45	-67.26
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(C#N)=CC1CC1)C2	REAL300028789819	1	54	0.0	-81.29	416.86	5.35	-75.94
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(C#N)CCC1)C2	REAL300028789820	0	53	0.0	-79.46	361.96	5.73	-73.73
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(C#N)CCC1)C2	REAL300028789820	1	53	0.0	-74.14	375.83	5.51	-68.63
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C=C1CCCC1)C2	REAL300028789821	0	56	0.0	-67.89	412.49	5.47	-62.42
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C=C1CCCC1)C2	REAL300028789821	1	56	0.0	-60.69	400.09	6.05	-54.64
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC(C)(C)C#N)C2	REAL300028789822	0	55	0.0	-68.75	410.62	4.41	-64.34
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC(C)(C)C#N)C2	REAL300028789822	1	55	0.0	-70.37	408.77	4.88	-65.49
COCC(O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789823	0	53	0.0	-80.61	393.80	0.17	-80.44
COCC(O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789823	1	53	0.0	-69.97	386.88	0.10	-69.87
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@@H]1CC1(F)F)C2	REAL300028789824	0	49	0.0	-72.63	378.05	4.62	-68.01
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@@H]1CC1(F)F)C2	REAL300028789824	1	49	0.0	-69.38	367.87	4.38	-65.00
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@@H]1C[C@H]1C#N)C2	REAL300028789825	0	50	0.0	-67.82	380.04	4.45	-63.37
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@@H]1C[C@H]1C#N)C2	REAL300028789825	1	50	0.0	-86.96	386.90	4.16	-82.80
C=C(C)CCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789826	0	58	0.0	-71.77	432.20	6.24	-65.53
C=C(C)CCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789826	1	58	0.0	-72.78	432.92	6.50	-66.28
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@H]1C[C@@H](O)C1)C2	REAL300028789827	0	53	0.0	-84.92	389.83	1.19	-83.73
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@H]1C[C@@H](O)C1)C2	REAL300028789827	1	53	0.0	-71.06	392.75	1.26	-69.80
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1CC1(C)C)C2	REAL300028789828	0	58	0.0	-64.83	417.24	6.11	-58.72
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1CC1(C)C)C2	REAL300028789828	1	58	0.0	-81.32	407.91	7.24	-74.08
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=C(Cl)CC1)C2	REAL300028789829	0	50	0.0	-71.51	389.35	5.01	-66.50
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=C(Cl)CC1)C2	REAL300028789829	1	50	0.0	-84.25	387.23	4.85	-79.40
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@]13C[C@H]1[C@H](F)C3)C2	REAL300028789830	0	53	0.0	-86.11	359.98	6.04	-80.07
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@]13C[C@H]1[C@H](F)C3)C2	REAL300028789830	1	53	0.0	-84.77	382.07	6.35	-78.42
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CNC(=O)O1)C2	REAL300028789831	0	49	0.0	-76.93	367.18	2.03	-74.90
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CNC(=O)O1)C2	REAL300028789831	1	49	0.0	-67.94	366.32	0.69	-67.25
CC(C)[C@@H]1C[C@H]1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789832	0	58	0.0	-66.38	421.60	6.09	-60.29
CC(C)[C@@H]1C[C@H]1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789832	1	58	0.0	-78.81	423.40	5.32	-73.49
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(F)(F)C1CC1)C2	REAL300028789833	1	52	0.0	-58.94	394.81	4.32	-54.62
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(F)(F)C1CC1)C2	REAL300028789833	1	52	0.0	-78.75	390.34	5.14	-73.61
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)COCCO)C2	REAL300028789834	0	53	0.0	-82.45	389.18	1.38	-81.07
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)COCCO)C2	REAL300028789834	1	53	0.0	-83.25	386.39	2.48	-80.77
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(C)(C)CF)C2	REAL300028789835	0	54	0.0	-64.87	383.03	4.07	-60.80
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(C)(C)CF)C2	REAL300028789835	1	54	0.0	-74.98	390.25	4.50	-70.48
CC(C)[C@@H](O)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789836	0	58	0.0	-82.33	405.35	3.95	-78.38
CC(C)[C@@H](O)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789836	1	58	0.0	-67.60	415.11	3.01	-64.59
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(C)(C)CO)C2	REAL300028789837	0	55	0.0	-64.67	387.56	0.72	-63.95
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(C)(C)CO)C2	REAL300028789837	1	55	0.0	-75.81	394.63	1.18	-74.63
C=CCC(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789838	0	55	0.0	-71.49	406.82	5.26	-66.23
C=CCC(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789838	1	55	0.0	-86.84	404.40	5.36	-81.48
CC1CCCC1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789839	0	58	0.0	-62.25	402.09	5.67	-56.58
CC1CCCC1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789839	1	58	0.0	-86.01	384.89	6.59	-79.42
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@@H]1CC[C@@H]3C[C@@H]31)C2	REAL300028789840	0	56	0.0	-61.31	405.42	5.53	-55.78
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@@H]1CC[C@@H]3C[C@@H]31)C2	REAL300028789840	1	56	0.0	-86.97	406.03	5.86	-81.11
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(C)CC(F)C1)C2	REAL300028789841	0	55	0.0	-75.56	401.03	4.97	-70.59
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(C)CC(F)C1)C2	REAL300028789841	1	55	0.0	-71.26	399.06	4.97	-66.29
C[C@@H]1C[C@H]1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789842	0	52	0.0	-80.17	383.31	4.77	-75.40
C[C@@H]1C[C@H]1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789842	1	52	0.0	-73.07	386.66	5.12	-67.95
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(C)(C)O)C2	REAL300028789843	0	52	0.0	-67.02	377.81	1.09	-65.93
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(C)(C)O)C2	REAL300028789843	1	52	0.0	-80.63	373.02	0.95	-79.68
CSC1(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)CC1	REAL300028789844	0	53	0.0	-77.53	403.01	4.68	-72.85
CSC1(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)CC1	REAL300028789844	1	53	0.0	-84.06	389.76	4.92	-79.14
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=NOCC1)C2	REAL300028789845	0	50	0.0	-75.28	376.66	2.59	-72.69
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=NOCC1)C2	REAL300028789845	1	50	0.0	-66.09	376.78	2.53	-63.56
CC(C#N)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789846	0	52	0.0	-80.50	373.45	5.56	-74.94
CC(C#N)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789846	1	52	0.0	-88.32	370.46	4.23	-84.09
CN(CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C)C1CC1	REAL300028789847	0	57	0.0	-64.39	405.27	3.15	-61.24
CN(CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C)C1CC1	REAL300028789847	1	57	0.0	-64.50	405.15	3.10	-61.40
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCOC1CC1)C2	REAL300028789848	0	56	0.0	-64.50	412.17	4.24	-60.26
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCOC1CC1)C2	REAL300028789848	1	56	0.0	-74.61	421.37	4.54	-70.07
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCCCCO)C2	REAL300028789849	0	58	0.0	-67.47	434.24	1.92	-65.55
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCCCCO)C2	REAL300028789849	1	58	0.0	-66.74	422.33	2.46	-64.28
CC(CCO)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789850	0	55	0.0	-92.98	402.72	1.48	-91.50
CC(CCO)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789850	1	55	0.0	-84.29	382.78	2.28	-82.01
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(F)=CC1CC1)C2	REAL300028789851	0	53	0.0	-75.06	386.83	6.83	-68.23
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(F)=CC1CC1)C2	REAL300028789851	1	53	0.0	-72.43	402.53	5.86	-66.57
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1CC(F)C1)C2	REAL300028789852	0	55	0.0	-67.38	404.28	5.53	-61.85
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1CC(F)C1)C2	REAL300028789852	1	55	0.0	-76.61	390.78	6.83	-69.78
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@H](O)CF)C2	REAL300028789853	0	49	0.0	-74.46	368.12	1.31	-73.15
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@H](O)CF)C2	REAL300028789853	1	49	0.0	-79.94	366.71	1.01	-78.93
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(CCO)CC1)C2	REAL300028789854	0	56	0.0	-72.38	416.53	1.87	-70.51
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(CCO)CC1)C2	REAL300028789854	1	56	0.0	-81.06	414.16	1.67	-79.39
CC(C)C(C)(O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789855	0	58	0.0	-79.74	403.59	2.16	-77.58
CC(C)C(C)(O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789855	1	58	0.0	-86.13	395.52	3.14	-82.99
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC=C(C#N)O1)C2	REAL300028789856	0	50	0.0	-65.33	396.25	3.79	-61.54
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC=C(C#N)O1)C2	REAL300028789856	1	50	0.0	-77.64	393.20	4.50	-73.14
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1=CC=CC=N1)C2	REAL300028789857	0	54	0.0	-70.05	411.76	4.33	-65.72
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1=CC=CC=N1)C2	REAL300028789857	1	54	0.0	-75.95	391.14	5.93	-70.02
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(O)CCC1)C2	REAL300028789858	0	53	0.0	-94.36	351.92	2.95	-91.41
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(O)CCC1)C2	REAL300028789858	1	53	0.0	-82.03	363.66	2.75	-79.28
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(O)C1CC1)C2	REAL300028789859	0	53	0.0	-61.38	391.94	2.11	-59.27
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(O)C1CC1)C2	REAL300028789859	1	53	0.0	-76.29	390.54	3.11	-73.18
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CN1C=NN=C1)C2	REAL300028789860	0	51	0.0	-81.14	381.77	6.14	-75.00
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CN1C=NN=C1)C2	REAL300028789860	1	51	0.0	-83.67	390.97	6.44	-77.23
C=C(C)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789861	0	52	0.0	-79.59	371.11	6.42	-73.17
C=C(C)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789861	1	52	0.0	-80.61	366.82	5.83	-74.78
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(C)(C)C#N)C2	REAL300028789862	0	52	0.0	-61.79	384.58	3.60	-58.19
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(C)(C)C#N)C2	REAL300028789862	1	52	0.0	-81.99	384.51	3.94	-78.05
CCSCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789863	0	52	0.0	-70.14	401.08	4.70	-65.44
CCSCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789863	1	52	0.0	-81.52	383.45	6.07	-75.45
CC(=O)OCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789864	0	54	0.0	-77.57	411.80	4.44	-73.13
CC(=O)OCCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789864	1	54	0.0	-78.55	412.50	4.71	-73.84
CC(C)=C(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789865	0	55	0.0	-80.69	401.76	5.25	-75.44
CC(C)=C(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789865	1	55	0.0	-79.68	385.11	5.38	-74.30
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCC1(C)N=N1)C2	REAL300028789866	0	54	0.0	-63.74	399.97	0.06	-63.68
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCC1(C)N=N1)C2	REAL300028789866	1	54	0.0	-73.68	409.17	0.36	-73.32
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)COC1COC1)C2	REAL300028789868	0	54	0.0	-69.78	398.62	2.28	-67.50
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)COC1COC1)C2	REAL300028789868	1	54	0.0	-77.20	407.61	2.66	-74.54
C[C@@H]1C[C@]2(C(=O)N3CCCC4(C3)C(NC(=O)C3=CC(=O)[N-]O3)CC[N@@H+]4C)C[C@H]12	REAL300028789869	0	56	0.0	-72.26	411.19	5.97	-66.29
C[C@@H]1C[C@]2(C(=O)N3CCCC4(C3)C(NC(=O)C3=CC(=O)[N-]O3)CC[N@H+]4C)C[C@H]12	REAL300028789869	1	56	0.0	-66.73	406.13	5.82	-60.91
CNC(=O)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789870	0	52	0.0	-88.80	373.65	3.66	-85.14
CNC(=O)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789870	1	52	0.0	-74.28	382.36	2.38	-71.90
CC(=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C)C(F)F	REAL300028789871	0	52	0.0	-84.62	391.44	4.96	-79.66
CC(=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C)C(F)F	REAL300028789871	1	52	0.0	-83.70	392.68	4.69	-79.01
CN1C=NN=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789872	0	51	0.0	-68.16	384.86	5.12	-63.04
CN1C=NN=C1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789872	1	51	0.0	-66.26	378.14	4.89	-61.37
C[C@@H]1OCC[C@@H]1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789873	0	56	0.0	-66.75	392.63	3.01	-63.74
C[C@@H]1OCC[C@@H]1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789873	1	56	0.0	-74.54	402.64	3.48	-71.06
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC(F)C1)C2	REAL300028789874	0	52	0.0	-72.22	387.89	5.03	-67.19
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC(F)C1)C2	REAL300028789874	1	52	0.0	-65.33	374.26	4.64	-60.69
CCC(O)C(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789875	0	58	0.0	-65.55	410.76	2.03	-63.52
CCC(O)C(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789875	1	58	0.0	-72.84	420.70	2.57	-70.27
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1CC(=O)N1)C2	REAL300028789876	0	53	0.0	-69.70	402.12	-0.11	-69.81
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1CC(=O)N1)C2	REAL300028789876	1	53	0.0	-72.70	401.73	-0.35	-73.05
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(O)C1CCC1)C2	REAL300028789877	0	56	0.0	-95.96	377.18	4.29	-91.67
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(O)C1CCC1)C2	REAL300028789877	1	56	0.0	-87.55	406.01	3.54	-84.01
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC(C)(O)C1)C2	REAL300028789879	0	56	0.0	-78.02	382.59	2.86	-75.16
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC(C)(O)C1)C2	REAL300028789879	1	56	0.0	-84.94	390.47	2.90	-82.04
C=CCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789880	0	49	0.0	-64.73	359.19	3.97	-60.76
C=CCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789880	1	49	0.0	-78.44	351.09	5.13	-73.31
CN(C)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789881	0	53	0.0	-90.55	357.14	2.92	-87.63
CN(C)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789881	1	53	0.0	-64.64	379.78	1.69	-62.95
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC=CC(N)=C1)C2	REAL300028789882	0	54	0.0	-94.56	404.62	2.73	-91.83
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC=CC(N)=C1)C2	REAL300028789882	1	54	0.0	-82.83	383.71	4.37	-78.46
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC#N)C2	REAL300028789883	0	46	0.0	-91.52	339.47	4.50	-87.02
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC#N)C2	REAL300028789883	1	46	0.0	-91.60	338.86	4.50	-87.10
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC=C(N)C=C1)C2	REAL300028789884	0	54	0.0	-86.93	384.39	4.30	-82.63
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC=C(N)C=C1)C2	REAL300028789884	1	54	0.0	-77.65	404.71	3.52	-74.13
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC1F)C2	REAL300028789885	0	49	0.0	-78.77	356.89	5.57	-73.20
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC1F)C2	REAL300028789885	1	49	0.0	-73.45	372.05	4.56	-68.89
C[C@@H](C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C)N(C)C	REAL300028789886	1	56	0.0	-80.14	393.03	1.49	-78.65
C[C@@H](C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C)N(C)C	REAL300028789886	1	56	0.0	-72.66	397.03	1.89	-70.77
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCF)C2	REAL300028789887	0	48	0.0	-72.67	361.37	3.60	-69.07
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCF)C2	REAL300028789887	1	48	0.0	-73.84	362.07	3.86	-69.98
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC(F)=NN1)C2	REAL300028789888	0	49	0.0	-81.62	376.46	2.37	-79.25
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC(F)=NN1)C2	REAL300028789888	1	49	0.0	-85.06	373.94	1.80	-83.26
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1C=CCC1)C2	REAL300028789889	0	53	0.0	-71.80	385.18	4.96	-66.84
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1C=CCC1)C2	REAL300028789889	1	53	0.0	-80.74	382.53	4.86	-75.88
CCC1(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)COC1	REAL300028789890	0	56	0.0	-85.91	395.99	2.39	-83.52
CCC1(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)COC1	REAL300028789890	1	56	0.0	-67.37	389.67	2.43	-64.94
C#CC(C)(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789891	0	53	0.0	-62.62	385.96	4.43	-58.19
C#CC(C)(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789891	1	53	0.0	-85.71	373.60	5.73	-79.98
COC(C)C(O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789892	0	56	0.0	-67.01	404.61	1.25	-65.76
COC(C)C(O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789892	1	56	0.0	-64.29	409.28	1.01	-63.28
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@H]1CNC(=O)N1)C2	REAL300028789893	0	52	0.0	-81.09	389.67	-1.24	-82.33
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@H]1CNC(=O)N1)C2	REAL300028789893	1	52	0.0	-95.62	386.61	-1.39	-97.01
CCSC(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789894	0	55	0.0	-73.79	415.22	5.33	-68.46
CCSC(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789894	1	55	0.0	-73.30	415.63	5.24	-68.06
CC1CCN1CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789895	0	57	0.0	-74.89	419.34	2.60	-72.29
CC1CCN1CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789895	1	57	0.0	-72.07	418.60	2.33	-69.74
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CCSC1)C2	REAL300028789897	0	51	0.0	-81.34	379.53	4.87	-76.47
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CCSC1)C2	REAL300028789897	1	51	0.0	-82.33	389.39	4.56	-77.77
CO[C@H](C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789898	0	52	0.0	-66.04	374.47	3.24	-62.80
CO[C@H](C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789898	1	52	0.0	-67.42	375.25	3.05	-64.37
CC(=O)CCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789899	0	53	0.0	-74.57	399.49	4.14	-70.43
CC(=O)CCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789899	1	53	0.0	-75.62	400.17	4.40	-71.22
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCCC1O)C2	REAL300028789900	0	56	0.0	-74.67	408.12	2.32	-72.35
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCCC1O)C2	REAL300028789900	1	56	0.0	-73.49	407.45	2.31	-71.18
C[C@@H](O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789901	0	49	0.0	-84.66	359.50	0.82	-83.84
C[C@@H](O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789901	1	49	0.0	-82.47	356.91	0.87	-81.60
CC[NH+](CC)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CCN2C	REAL300028789902	1	59	0.0	-59.19	420.95	3.12	-56.07
CC1=CC=NC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)=C1	REAL300028789903	0	54	0.0	-77.82	396.90	6.25	-71.57
CC1=CC=NC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)=C1	REAL300028789903	1	54	0.0	-79.11	406.20	4.87	-74.24
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CN1CCC1)C2	REAL300028789904	0	54	0.0	-63.92	387.63	1.29	-62.63
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CN1CCC1)C2	REAL300028789904	1	54	0.0	-65.30	387.78	1.34	-63.96
CC(C)C(O)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789905	0	58	0.0	-82.35	405.40	3.95	-78.40
CC(C)C(O)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789905	1	58	0.0	-79.49	402.12	5.31	-74.18
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1COC(=O)C1)C2	REAL300028789906	0	52	0.0	-75.27	390.55	2.69	-72.58
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1COC(=O)C1)C2	REAL300028789906	1	52	0.0	-73.85	378.51	3.63	-70.22
CC(O)C(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789907	0	55	0.0	-70.64	399.15	1.47	-69.17
CC(O)C(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789907	1	55	0.0	-73.03	402.97	1.47	-71.56
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(O)CCOC1)C2	REAL300028789908	0	54	0.0	-72.74	395.37	-0.34	-73.08
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(O)CCOC1)C2	REAL300028789908	1	54	0.0	-70.03	395.29	-0.55	-70.58
CCC(C)(C#N)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789909	0	55	0.0	-59.78	392.38	4.03	-55.75
CCC(C)(C#N)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789909	1	55	0.0	-82.40	403.17	4.43	-77.97
C=C1CC1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789910	0	50	0.0	-80.38	364.38	6.06	-74.32
C=C1CC1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789910	1	50	0.0	-72.51	378.93	4.85	-67.66
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1CC=CC1)C2	REAL300028789911	0	56	0.0	-65.15	402.05	5.95	-59.20
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1CC=CC1)C2	REAL300028789911	1	56	0.0	-78.46	392.43	7.14	-71.32
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1OCCO1)C2	REAL300028789912	0	54	0.0	-63.26	403.42	2.23	-61.03
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1OCCO1)C2	REAL300028789912	1	54	0.0	-75.49	402.63	3.17	-72.32
COC(OC)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789913	0	53	0.0	-81.08	378.15	3.24	-77.84
COC(OC)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789913	1	53	0.0	-71.22	379.36	2.35	-68.87
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(C#N)CC=CC1)C2	REAL300028789914	0	54	0.0	-77.34	398.94	4.76	-72.58
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(C#N)CC=CC1)C2	REAL300028789914	1	54	0.0	-75.40	382.97	5.88	-69.52
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCC[N+](=O)[O-])C2	REAL300028789915	0	53	0.0	-77.36	405.38	4.64	-72.72
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCC[N+](=O)[O-])C2	REAL300028789915	1	53	0.0	-78.48	406.07	4.90	-73.58
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1(C#N)CC1)C2	REAL300028789916	0	53	0.0	-67.83	404.60	4.58	-63.25
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1(C#N)CC1)C2	REAL300028789916	1	53	0.0	-75.58	403.47	5.35	-70.23
COC(=O)CCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789917	0	54	0.0	-68.43	412.01	4.14	-64.29
COC(=O)CCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789917	1	54	0.0	-64.00	411.20	4.07	-59.93
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CCCOC1)C2	REAL300028789918	0	54	0.0	-81.66	397.90	3.34	-78.32
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CCCOC1)C2	REAL300028789918	1	54	0.0	-83.17	397.96	3.11	-80.06
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(C)CC1(F)F)C2	REAL300028789919	0	52	0.0	-93.74	391.10	4.54	-89.20
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(C)CC1(F)F)C2	REAL300028789919	1	52	0.0	-76.12	394.06	4.76	-71.36
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(O)C(C)(C)C)C2	REAL300028789920	0	58	0.0	-81.86	394.88	4.09	-77.77
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C(O)C(C)(C)C)C2	REAL300028789920	1	58	0.0	-73.30	400.51	3.00	-70.30
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(C)COC1)C2	REAL300028789921	0	53	0.0	-65.48	379.31	2.02	-63.46
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(C)COC1)C2	REAL300028789921	1	53	0.0	-68.97	382.33	2.04	-66.93
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CCCCO1)C2	REAL300028789922	0	54	0.0	-73.98	399.03	4.57	-69.41
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CCCCO1)C2	REAL300028789922	1	54	0.0	-63.33	399.29	3.70	-59.63
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(C)CCCO1)C2	REAL300028789923	0	56	0.0	-78.76	396.34	3.48	-75.28
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(C)CCCO1)C2	REAL300028789923	1	56	0.0	-67.18	395.06	3.70	-63.48
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC(=O)N1)C2	REAL300028789924	0	50	0.0	-80.71	378.49	-0.30	-81.01
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC(=O)N1)C2	REAL300028789924	1	50	0.0	-95.31	361.73	0.58	-94.73
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@@H]1CC(=O)N1)C2	REAL300028789925	0	50	0.0	-76.51	372.94	-0.44	-76.95
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@@H]1CC(=O)N1)C2	REAL300028789925	1	50	0.0	-81.15	379.97	0.34	-80.81
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CCCCC1)C2	REAL300028789926	0	56	0.0	-93.24	385.00	5.92	-87.32
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CCCCC1)C2	REAL300028789926	1	56	0.0	-68.27	407.65	5.71	-62.56
CCC[C@H](O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789927	0	55	0.0	-64.97	392.42	2.56	-62.41
CCC[C@H](O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789927	1	55	0.0	-79.27	398.33	2.59	-76.68
CC1CC(C)(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)C1	REAL300028789928	0	58	0.0	-68.44	414.07	5.49	-62.95
CC1CC(C)(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)C1	REAL300028789928	1	58	0.0	-72.97	403.16	5.50	-67.47
CC(C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C)N1CCC1	REAL300028789929	0	57	0.0	-83.54	412.23	1.77	-81.77
CC(C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C)N1CCC1	REAL300028789929	1	57	0.0	-73.30	415.27	2.06	-71.24
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC=C(N)C=C1)C2	REAL300028789930	0	54	0.0	-86.93	384.39	4.30	-82.63
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC=C(N)C=C1)C2	REAL300028789930	1	54	0.0	-77.65	404.71	3.52	-74.13
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@H]1CC1(F)F)C2	REAL300028789931	0	49	0.0	-67.46	369.22	4.36	-63.10
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@H]1CC1(F)F)C2	REAL300028789931	1	49	0.0	-88.11	358.15	5.88	-82.23
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1=CNN=C1)C2	REAL300028789932	0	52	0.0	-69.36	397.96	2.52	-66.84
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1=CNN=C1)C2	REAL300028789932	1	52	0.0	-76.60	370.76	4.05	-72.55
CC1=CC=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)N=C1	REAL300028789933	0	54	0.0	-77.61	396.70	6.24	-71.37
CC1=CC=C(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)N=C1	REAL300028789933	1	54	0.0	-79.45	389.15	6.47	-72.98
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(C)CC(=O)C1)C2	REAL300028789934	0	54	0.0	-73.42	395.57	3.84	-69.58
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(C)CC(=O)C1)C2	REAL300028789934	1	54	0.0	-84.92	395.60	3.74	-81.18
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1=CNC=C1)C2	REAL300028789935	0	53	0.0	-67.79	391.00	4.31	-63.48
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1=CNC=C1)C2	REAL300028789935	1	53	0.0	-81.77	374.68	5.51	-76.26
CCCC(C)(O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789936	0	58	0.0	-66.40	416.67	2.34	-64.06
CCCC(C)(O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789936	1	58	0.0	-62.83	407.04	2.53	-60.30
CCOC(C)(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789937	0	58	0.0	-78.05	413.46	4.62	-73.43
CCOC(C)(C)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789937	1	58	0.0	-66.59	406.15	4.10	-62.49
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1CC(=O)C1)C2	REAL300028789938	0	54	0.0	-75.92	405.42	4.61	-71.31
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1CC(=O)C1)C2	REAL300028789938	1	54	0.0	-76.91	406.12	4.87	-72.04
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1CSC1)C2	REAL300028789939	0	53	0.0	-71.26	393.96	5.11	-66.15
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1CSC1)C2	REAL300028789939	1	53	0.0	-75.53	403.18	5.41	-70.12
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(F)CCC1)C2	REAL300028789940	0	52	0.0	-81.86	373.08	5.80	-76.06
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(F)CCC1)C2	REAL300028789940	1	52	0.0	-59.29	375.96	4.65	-54.64
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CNC=N1)C2	REAL300028789941	0	49	0.0	-63.91	373.18	3.34	-60.57
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CNC=N1)C2	REAL300028789941	1	49	0.0	-72.69	370.31	3.91	-68.78
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CN=CN1)C2	REAL300028789941	1	49	0.0	-82.56	369.35	3.79	-78.77
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CN=CN1)C2	REAL300028789941	1	49	0.0	-68.41	364.38	3.42	-64.99
CC1=NOC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)=N1	REAL300028789942	0	50	0.0	-84.98	383.36	1.35	-83.63
CC1=NOC(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)=N1	REAL300028789942	1	50	0.0	-87.70	382.36	0.78	-86.92
CCOC(=O)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789943	0	54	0.0	-86.98	391.39	6.34	-80.64
CCOC(=O)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789943	1	54	0.0	-71.26	400.09	5.23	-66.03
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC(=O)C1)C2	REAL300028789944	0	51	0.0	-84.89	371.85	4.88	-80.01
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CC(=O)C1)C2	REAL300028789944	1	51	0.0	-84.63	362.55	4.80	-79.83
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CN1C=CN=N1)C2	REAL300028789945	0	51	0.0	-74.91	380.35	2.49	-72.42
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CN1C=CN=N1)C2	REAL300028789945	1	51	0.0	-78.46	390.37	2.47	-75.99
C=CC1(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)CCC1	REAL300028789946	0	56	0.0	-81.02	379.72	6.63	-74.39
C=CC1(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)CCC1	REAL300028789946	1	56	0.0	-71.39	405.12	5.68	-65.71
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(O)COC1)C2	REAL300028789947	0	51	0.0	-63.91	382.12	-1.16	-65.07
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(O)COC1)C2	REAL300028789947	1	51	0.0	-71.52	381.17	-0.61	-72.13
CCC(C)C(O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789948	0	58	0.0	-67.60	417.32	3.31	-64.29
CCC(C)C(O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789948	1	58	0.0	-94.94	382.84	4.83	-90.11
CC(C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C)=C1CC1	REAL300028789949	0	53	0.0	-81.52	373.16	6.33	-75.19
CC(C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C)=C1CC1	REAL300028789949	1	53	0.0	-68.92	401.12	5.52	-63.40
CC1=CC1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789950	0	50	0.0	-72.43	380.41	4.99	-67.44
CC1=CC1C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789950	1	50	0.0	-80.12	370.76	6.13	-73.99
CN(C)C(=O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789951	0	52	0.0	-91.81	392.20	1.80	-90.01
CN(C)C(=O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789951	1	52	0.0	-84.72	393.19	2.14	-82.58
CC(=O)C1(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)CC1	REAL300028789952	0	54	0.0	-77.56	404.22	4.39	-73.17
CC(=O)C1(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)CC1	REAL300028789952	1	54	0.0	-73.83	409.63	4.70	-69.13
CCCC(O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789953	0	55	0.0	-82.42	401.05	2.51	-79.91
CCCC(O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789953	1	55	0.0	-75.00	403.40	2.66	-72.34
CCCCC(O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789954	0	58	0.0	-82.64	422.55	3.29	-79.35
CCCCC(O)C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789954	1	58	0.0	-66.41	428.28	2.93	-63.48
COC(C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C)C(C)O	REAL300028789955	0	56	0.0	-69.64	401.44	0.94	-68.70
COC(C(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C)C(C)O	REAL300028789955	1	56	0.0	-70.87	413.33	0.48	-70.39
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CSC1CC1)C2	REAL300028789956	0	53	0.0	-65.96	401.39	5.61	-60.35
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CSC1CC1)C2	REAL300028789956	1	53	0.0	-82.22	393.76	6.92	-75.30
CCC(O)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789957	0	55	0.0	-79.06	385.22	4.70	-74.36
CCC(O)CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789957	1	55	0.0	-81.16	388.39	3.44	-77.72
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=NNC=C1C#N)C2	REAL300028789958	0	50	0.0	-87.79	375.34	4.59	-83.20
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=NNC=C1C#N)C2	REAL300028789958	1	50	0.0	-79.69	390.74	3.00	-76.69
CNC(=O)CCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789959	0	55	0.0	-77.91	415.08	2.04	-75.87
CNC(=O)CCC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789959	1	55	0.0	-76.59	414.39	1.78	-74.81
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCCCF)C2	REAL300028789960	0	54	0.0	-65.72	407.91	4.61	-61.11
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CCCCF)C2	REAL300028789960	1	54	0.0	-73.61	405.06	5.41	-68.20
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CSN=C1)C2	REAL300028789961	0	48	0.0	-64.86	368.05	3.00	-61.86
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CSN=C1)C2	REAL300028789961	1	48	0.0	-75.74	375.22	3.08	-72.66
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCC(=O)C1)C2	REAL300028789962	0	54	0.0	-90.93	380.92	5.28	-85.65
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCC(=O)C1)C2	REAL300028789962	1	54	0.0	-83.01	397.90	4.08	-78.93
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@H]1CC(=O)N1)C2	REAL300028789963	0	50	0.0	-81.61	379.02	0.04	-81.57
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)[C@H]1CC(=O)N1)C2	REAL300028789963	1	50	0.0	-80.53	379.88	0.14	-80.39
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CN1C=NC=N1)C2	REAL300028789964	0	51	0.0	-72.73	381.27	5.22	-67.51
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CN1C=NC=N1)C2	REAL300028789964	1	51	0.0	-84.11	390.47	5.52	-78.59
COC1(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]3C)CC1	REAL300028789965	0	53	0.0	-77.74	393.62	3.07	-74.67
COC1(C(=O)N2CCCC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]3C)CC1	REAL300028789965	1	53	0.0	-78.19	388.60	3.15	-75.04
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CSC1)C2	REAL300028789966	0	50	0.0	-67.74	374.80	4.18	-63.56
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CSC1)C2	REAL300028789966	1	50	0.0	-70.12	381.86	4.18	-65.94
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CN=C(N)O1)C2	REAL300028789967	0	50	0.0	-93.08	354.18	-0.42	-93.50
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CN=C(N)O1)C2	REAL300028789967	1	50	0.0	-69.32	382.61	-1.55	-70.87
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1(CO)CC1)C2	REAL300028789968	0	56	0.0	-61.88	418.02	1.59	-60.29
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)CC1(CO)CC1)C2	REAL300028789968	1	56	0.0	-73.80	416.97	2.40	-71.40
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCC=CO1)C2	REAL300028789969	0	54	0.0	-86.00	384.73	5.59	-80.41
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1CCC=CO1)C2	REAL300028789969	1	54	0.0	-84.42	379.71	5.40	-79.02
C[N@@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(O)CCCC1)C2	REAL300028789970	0	56	0.0	-65.08	395.57	2.06	-63.02
C[N@H+]1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1(O)CCCC1)C2	REAL300028789970	1	56	0.0	-72.75	388.48	2.15	-70.60
C=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@H+]2C	REAL300028789971	0	46	0.0	-79.22	340.03	3.12	-76.10
C=CC(=O)N1CCCC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CC[N@@H+]2C	REAL300028789971	1	46	0.0	-78.08	345.07	2.99	-75.09
C[N@@H+]1CCC(NC(=O)C2CC(=O)N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789972	0	50	0.0	-83.05	364.22	-0.15	-83.20
C[N@H+]1CCC(NC(=O)C2CC(=O)N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789972	1	50	0.0	-66.09	354.48	-0.45	-66.54
C[C@@H]1OCC[C@@H]1C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789973	0	56	0.0	-83.99	400.93	2.98	-81.01
C[C@@H]1OCC[C@@H]1C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789973	1	56	0.0	-91.37	397.65	3.04	-88.33
C[N@@H+]1CCC(NC(=O)C2CC(F)C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789974	0	52	0.0	-82.75	375.76	4.36	-78.39
C[N@H+]1CCC(NC(=O)C2CC(F)C2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789974	1	52	0.0	-80.78	382.87	4.29	-76.49
CCC(O)C(C)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789975	0	58	0.0	-86.77	420.22	3.47	-83.30
CCC(O)C(C)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789975	1	58	0.0	-61.14	411.99	3.18	-57.96
C[N@@H+]1CCC(NC(=O)CC2CC(=O)N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789976	0	53	0.0	-70.44	388.46	0.07	-70.37
C[N@H+]1CCC(NC(=O)CC2CC(=O)N2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789976	1	53	0.0	-90.26	395.10	0.20	-90.06
C[N@@H+]1CCC(NC(=O)C(O)C2CCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789977	0	56	0.0	-60.93	411.98	2.77	-58.16
C[N@H+]1CCC(NC(=O)C(O)C2CCC2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789977	1	56	0.0	-88.53	405.77	3.10	-85.43
C[N@@H+]1CCC(NC(=O)C2=CC=NO2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789978	0	48	0.0	-70.14	338.97	3.95	-66.19
C[N@H+]1CCC(NC(=O)C2=CC=NO2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789978	1	48	0.0	-79.39	353.19	4.25	-75.14
C[N@@H+]1CCCC1C(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790153	0	53	0.0	-73.25	404.60	1.68	-71.57
C[N@H+]1CCCC1C(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790153	1	53	0.0	-70.60	408.83	2.17	-68.43
C[N@@H+]1CCOC(C(=O)NCC2CC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)C1	REAL300028790177	1	54	0.0	-84.55	418.37	1.53	-83.02
C[N@H+]1CCOC(C(=O)NCC2CC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)C1	REAL300028790177	1	54	0.0	-72.79	413.54	1.39	-71.40
CC1=[NH+]C=CN1CC(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790317	1	51	0.0	-70.10	414.03	2.76	-67.34
C[C@@H]1[C@H](C(=O)NCC2CC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)CC[N@@H+]1C	REAL300028790337	0	56	0.0	-73.49	420.66	2.36	-71.13
C[C@@H]1[C@H](C(=O)NCC2CC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)CC[N@H+]1C	REAL300028790337	1	56	0.0	-75.47	425.38	2.35	-73.12
C[NH+](C)C1(C(=O)NCC2CC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)CCC1	REAL300028790358	0	56	0.0	-69.35	415.62	2.57	-66.78
CC(C)[C@@H](C(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)[NH+](C)C	REAL300028790360	0	58	0.0	-69.96	431.80	3.30	-66.66
C[N@H+](CC(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C1CCC1	REAL300028790371	0	56	0.0	-70.34	430.81	3.13	-67.21
C[N@@H+](CC(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C1CCC1	REAL300028790371	1	56	0.0	-70.05	430.71	3.11	-66.94
C[NH+]1CCC(C(=O)NCC2CC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)CC1	REAL300028790398	0	56	0.0	-78.64	429.16	2.80	-75.84
C[N@@H+]1CCCCC1C(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790405	0	56	0.0	-68.71	426.56	2.68	-66.03
C[N@H+]1CCCCC1C(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790405	1	56	0.0	-69.11	416.03	2.53	-66.58
CC1=C[NH+]=CN1CC(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790423	1	51	0.0	-71.14	413.31	3.45	-67.69
C[N@@H+]1CCC(CC(=O)NCC2CC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)C1	REAL300028790433	0	56	0.0	-77.82	429.79	2.69	-75.13
C[N@H+]1CCC(CC(=O)NCC2CC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)C1	REAL300028790433	1	56	0.0	-76.03	427.83	2.67	-73.36
CCC(C(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)[NH+](C)C	REAL300028790436	0	55	0.0	-71.65	414.57	2.06	-69.59
C[NH+](C)CCCCC(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790451	0	58	0.0	-78.25	449.43	3.21	-75.04
CC(C)C(C(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)[NH+](C)C	REAL300028790456	0	58	0.0	-71.18	431.45	3.32	-67.86
CCC[N@H+](C)CCC(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790457	0	58	0.0	-74.98	446.18	3.10	-71.88
CCC[N@@H+](C)CCC(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790457	1	58	0.0	-75.10	446.17	3.10	-72.00
CCC[N@H+](C)CC(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790458	0	55	0.0	-72.18	423.82	2.55	-69.63
CCC[N@@H+](C)CC(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790458	1	55	0.0	-72.06	423.82	2.55	-69.51
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790473	0	53	0.0	-71.74	401.41	1.62	-70.12
C[N@H+]1CCC[C@@H]1C(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790473	1	53	0.0	-69.85	411.09	2.18	-67.67
CC[NH+](CC)CC(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790485	0	55	0.0	-72.01	420.17	2.43	-69.58
C[NH+](C)CC1(C(=O)NCC2CC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)CC1	REAL300028790540	0	56	0.0	-78.81	435.22	2.87	-75.94
C[NH+]1CCC(C(=O)NCC2CC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)CC1	REAL300028790566	0	56	0.0	-78.64	429.16	2.80	-75.84
CC(C)[C@H](C(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)[NH+](C)C	REAL300028790581	0	58	0.0	-70.38	432.32	3.35	-67.03
CC[N@H+](C)CCC(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790616	0	55	0.0	-74.29	424.67	2.36	-71.93
CC[N@@H+](C)CCC(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790616	1	55	0.0	-74.45	424.68	2.36	-72.09
CC1CCC[N@@H+]1CC(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790627	0	56	0.0	-69.06	430.96	2.78	-66.28
CC1CCC[N@H+]1CC(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790627	1	56	0.0	-70.89	427.88	2.88	-68.01
CC1CC[N@H+](CC(=O)NCC2CC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)C1	REAL300028790628	0	56	0.0	-71.44	429.86	2.88	-68.56
CC1CC[N@@H+](CC(=O)NCC2CC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)C1	REAL300028790628	1	56	0.0	-71.35	429.96	2.90	-68.45
CC[C@@H](C(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)[NH+](C)C	REAL300028790631	0	55	0.0	-71.28	413.67	2.10	-69.18
C[NH+](C)CC(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790670	0	49	0.0	-74.08	384.07	1.08	-73.00
CN1C=C[N+](CC(=O)NCC2CC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)=C1	REAL300028790671	0	51	0.0	-70.36	413.85	4.59	-65.77
C[N@@H+]1CCCC(C(=O)NCC2CC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)C1	REAL300028790674	0	56	0.0	-73.35	427.19	2.69	-70.66
C[N@H+]1CCCC(C(=O)NCC2CC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)C1	REAL300028790674	1	56	0.0	-66.82	420.94	2.91	-63.91
CC(C(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)[NH+]1CCC1	REAL300028790682	1	53	0.0	-70.74	412.63	2.00	-68.74
C[NH+](C)CC(C)(C)C(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790685	0	58	0.0	-71.28	431.60	2.78	-68.50
C[N@H+](CC(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C1CC1	REAL300028790692	0	53	0.0	-70.06	413.99	2.56	-67.50
C[N@@H+](CC(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C1CC1	REAL300028790692	1	53	0.0	-71.14	413.47	2.49	-68.65
C[NH+]1CC(CC(=O)NCC2CC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)C1	REAL300028790703	0	53	0.0	-75.33	415.51	1.90	-73.43
C[C@@H](C(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)[NH+](C)C	REAL300028790716	0	52	0.0	-69.81	402.76	1.56	-68.25
C[N@H+](CCO)CCC(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790756	0	56	0.0	-74.83	435.03	-0.86	-75.69
C[N@@H+](CCO)CCC(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790756	1	56	0.0	-73.57	435.00	-0.87	-74.44
C[C@@H](C(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)[NH+](C)C	REAL300028790757	0	52	0.0	-69.81	402.76	1.56	-68.25
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790760	0	56	0.0	-69.76	413.75	2.47	-67.29
C[N@H+]1CCCC[C@@H]1C(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790760	1	56	0.0	-68.57	425.61	2.71	-65.86
C[N@@H+]1CCC(=CC(=O)NCC2CC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)C1	REAL300028790797	0	54	0.0	-76.03	421.28	2.70	-73.33
C[N@H+]1CCC(=CC(=O)NCC2CC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)C1	REAL300028790797	1	54	0.0	-76.46	422.50	2.68	-73.78
C[NH+](C)CCOCC(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790807	0	56	0.0	-75.44	439.93	2.14	-73.30
C[C@H](C(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)[NH+](C)C	REAL300028790818	0	52	0.0	-71.96	402.72	1.57	-70.39
CC1C[NH+](CC(=O)NCC2CC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)C1	REAL300028790835	1	53	0.0	-73.26	414.53	2.19	-71.07
C[N@H+](CCO)CC(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790848	1	53	0.0	-72.30	412.67	-1.42	-73.72
C[N@@H+](CCO)CC(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790848	1	53	0.0	-72.97	412.44	-1.42	-74.39
CC(CC(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C[NH+](C)C	REAL300028790860	0	58	0.0	-79.47	441.18	3.06	-76.41
CC[N@H+](C)CC(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790862	0	52	0.0	-71.52	402.32	1.75	-69.77
CC[N@@H+](C)CC(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790862	1	52	0.0	-71.78	402.32	1.81	-69.97
CC[N@H+](CC(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C1CC1	REAL300028790872	0	56	0.0	-71.00	425.68	2.72	-68.28
CC[N@@H+](CC(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C1CC1	REAL300028790872	1	56	0.0	-70.36	425.98	3.05	-67.31
CC[NH+](CC)CCC(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790878	0	58	0.0	-75.65	437.66	2.71	-72.94
C[NH+](C)CC=CC(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790894	0	53	0.0	-79.52	421.29	2.34	-77.18
COCC[N@H+](C)CC(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790903	1	56	0.0	-72.93	434.69	0.98	-71.95
COCC[N@@H+](C)CC(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790903	1	56	0.0	-72.40	434.92	0.98	-71.42
CC(CCC(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)[NH+](C)C	REAL300028790913	0	58	0.0	-79.31	437.42	2.81	-76.50
CC[N@@H+]1CCC1C(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790918	1	53	0.0	-70.59	408.05	1.83	-68.76
CC[N@H+]1CCC1C(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790918	1	53	0.0	-72.45	414.89	2.12	-70.33
C=CCC(C(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)[NH+](C)C	REAL300028790943	0	56	0.0	-71.62	427.78	2.59	-69.03
O=C(C[NH+]1CC2CC2C1)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790951	0	54	0.0	-72.05	419.12	2.99	-69.06
CCCC(C(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)[NH+](C)C	REAL300028790960	0	58	0.0	-70.91	435.98	2.86	-68.05
C[NH+](C)C(C)(C)C(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790962	0	55	0.0	-78.29	411.53	2.26	-76.03
C[N@@H+]1CCCCC1C(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790973	0	56	0.0	-68.71	426.56	2.68	-66.03
C[N@H+]1CCCCC1C(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790973	1	56	0.0	-69.11	416.03	2.53	-66.58
C[NH+](C)C1(C(=O)NCC2CC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)CC1	REAL300028791011	0	53	0.0	-71.76	411.18	1.82	-69.94
O=C(CC[NH+]1CCCC1)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028791012	0	56	0.0	-73.79	432.91	2.87	-70.92
C[N@@H+]1CC2CC1(C(=O)NCC1CC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CO1)C2	REAL300028791023	0	54	0.0	-74.96	415.29	2.29	-72.67
C[N@H+]1CC2CC1(C(=O)NCC1CC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CO1)C2	REAL300028791023	1	54	0.0	-71.43	414.10	2.51	-68.92
CC(C[NH+](C)C)C(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028791059	0	55	0.0	-69.83	422.26	2.45	-67.38
CC(C(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)[NH+]1CC(C)C1	REAL300028791082	1	56	0.0	-69.58	431.38	2.75	-66.83
CC1CC[N@@H+]1CC(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028791083	1	53	0.0	-69.22	409.83	1.95	-67.27
CC1CC[N@H+]1CC(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028791083	1	53	0.0	-69.86	415.37	2.22	-67.64
C[NH+](C)CC(O)CC(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028791085	0	56	0.0	-80.54	436.77	0.08	-80.46
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2CC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)C1	REAL300028791115	0	56	0.0	-76.57	432.83	2.82	-73.75
CC(CC[NH+](C)C)C(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028791116	0	58	0.0	-76.49	444.11	2.98	-73.51
NC(=[NH2+])SCC(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028791137	0	47	0.0	-76.91	392.59	-2.05	-78.96
CCC1C[NH+](CC(=O)NCC2CC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)C1	REAL300028791199	1	56	0.0	-73.10	437.21	3.04	-70.06
C[N@@H+]1CCC[C@H]1C(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028791203	0	53	0.0	-68.45	410.30	2.03	-66.42
C[N@H+]1CCC[C@H]1C(=O)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028791203	1	53	0.0	-70.74	402.84	1.69	-69.05
O=C(C[NH+]1CCCCC1)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028791210	0	56	0.0	-71.57	426.69	3.04	-68.53
CC1C(C(=O)NCC2CC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)CC[N@@H+]1C	REAL300028791214	0	56	0.0	-73.20	425.94	2.37	-70.83
CC1C(C(=O)NCC2CC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)CC[N@H+]1C	REAL300028791214	1	56	0.0	-71.03	423.74	2.23	-68.80
C[N@@H+]1CCCC1C(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028791394	0	53	0.0	-71.56	408.80	2.04	-69.52
C[N@H+]1CCCC1C(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028791394	1	53	0.0	-71.67	410.12	2.13	-69.54
C[N@@H+]1CCOC(C(=O)N2CCC3(COC(CNC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300028791420	1	54	0.0	-79.35	410.54	1.25	-78.10
C[N@H+]1CCOC(C(=O)N2CCC3(COC(CNC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300028791420	1	54	0.0	-77.65	411.74	1.31	-76.34
C[N@@H+]1CCC(CC(=O)N2CCC3(COC(CNC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300028791571	0	56	0.0	-76.44	434.45	2.88	-73.56
C[N@H+]1CCC(CC(=O)N2CCC3(COC(CNC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300028791571	1	56	0.0	-77.45	434.45	2.90	-74.55
CCC(C(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300028791574	0	55	0.0	-73.50	415.32	2.22	-71.28
C[NH+](C)CCCCC(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028791585	0	58	0.0	-79.75	452.85	3.46	-76.29
CC(C)C(C(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300028791591	0	58	0.0	-73.36	427.61	2.62	-70.74
CCC[N@H+](C)CCC(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028791592	0	58	0.0	-79.05	447.80	3.19	-75.86
CCC[N@@H+](C)CCC(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028791592	1	58	0.0	-74.72	449.10	3.20	-71.52
CCC[N@H+](C)CC(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028791593	0	55	0.0	-73.60	424.80	2.60	-71.00
CCC[N@@H+](C)CC(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028791593	1	55	0.0	-74.76	426.72	2.70	-72.06
C[NH+](C)CC1(C(=O)N2CCC3(COC(CNC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300028791632	0	56	0.0	-78.47	432.28	2.69	-75.78
CC[N@H+](C)CCC(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028791639	0	55	0.0	-78.28	426.31	2.44	-75.84
CC[N@@H+](C)CCC(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028791639	1	55	0.0	-73.98	427.60	2.46	-71.52
C[NH+]1CCC(C(=O)N2CCC3(COC(CNC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300028791665	0	56	0.0	-78.97	430.68	2.74	-76.23
CC(C)[C@H](C(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300028791680	0	58	0.0	-75.69	429.74	2.71	-72.98
C[NH+](C)C1(C(=O)N2CCC3(COC(CNC(=O)C4=CC(=O)[N-]O4)C3)C2)CCC1	REAL300028791708	0	56	0.0	-74.66	413.94	2.19	-72.47
CC1CCC[N@@H+]1CC(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028791733	0	56	0.0	-70.94	429.89	2.97	-67.97
CC1CCC[N@H+]1CC(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028791733	1	56	0.0	-72.06	431.50	2.93	-69.13
CC(C)[C@@H](C(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300028791747	0	58	0.0	-69.38	427.84	2.60	-66.78
CC1CC[N@H+](CC(=O)N2CCC3(COC(CNC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300028791755	0	56	0.0	-74.24	433.06	2.94	-71.30
CC1CC[N@@H+](CC(=O)N2CCC3(COC(CNC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300028791755	1	56	0.0	-71.60	432.92	2.97	-68.63
CC[C@@H](C(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300028791758	0	55	0.0	-72.59	413.00	2.04	-70.55
CC1=[NH+]C=CN1CC(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028791800	1	51	0.0	-72.14	414.12	2.79	-69.35
CC1=C[NH+]=CN1CC(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028791819	1	51	0.0	-73.09	414.33	3.52	-69.57
C[C@@H]1[C@H](C(=O)N2CCC3(COC(CNC(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300028791820	0	56	0.0	-80.38	421.99	2.18	-78.20
C[C@@H]1[C@H](C(=O)N2CCC3(COC(CNC(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300028791820	1	56	0.0	-76.71	427.60	2.77	-73.94
C[N@H+](CC(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300028791853	0	56	0.0	-71.57	430.78	3.16	-68.41
C[N@@H+](CC(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300028791853	1	56	0.0	-72.92	433.10	3.20	-69.72
C[NH+]1CCC(C(=O)N2CCC3(COC(CNC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300028791860	0	56	0.0	-78.97	430.68	2.74	-76.23
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028791873	0	53	0.0	-73.20	404.56	1.71	-71.49
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028791873	1	53	0.0	-72.00	407.45	2.10	-69.90
C[N@@H+]1CCCCC1C(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028791917	0	56	0.0	-72.57	425.44	2.73	-69.84
C[N@H+]1CCCCC1C(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028791917	1	56	0.0	-74.88	420.46	2.53	-72.35
CC1C(C(=O)N2CCC3(COC(CNC(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300028791946	0	56	0.0	-79.03	428.78	2.44	-76.59
CC1C(C(=O)N2CCC3(COC(CNC(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300028791946	1	56	0.0	-73.45	423.43	2.19	-71.26
C[C@@H](C(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300028791988	0	52	0.0	-74.53	401.15	1.51	-73.02
O=C(CC[NH+]1CCCC1)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028792006	0	56	0.0	-73.98	435.10	2.91	-71.07
C[N@H+](CCO)CC(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028792011	1	53	0.0	-75.79	415.58	-1.27	-77.06
C[N@@H+](CCO)CC(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028792011	1	53	0.0	-74.61	412.00	-1.41	-76.02
CC1C[NH+](CC(=O)N2CCC3(COC(CNC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300028792062	1	53	0.0	-76.92	414.64	2.31	-74.61
CC[N@H+](C)CC(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028792097	0	52	0.0	-74.68	404.71	1.89	-72.79
CC[N@@H+](C)CC(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028792097	1	52	0.0	-75.15	401.98	1.83	-73.32
COCC[N@H+](C)CC(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028792150	1	56	0.0	-74.41	434.24	0.99	-73.42
COCC[N@@H+](C)CC(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028792150	1	56	0.0	-76.04	437.83	1.13	-74.91
CC(CCC(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300028792152	0	58	0.0	-80.61	440.84	3.05	-77.56
CC[N@H+](CC(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300028792157	0	56	0.0	-70.98	436.09	3.32	-67.66
CC[N@@H+](CC(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300028792157	1	56	0.0	-71.84	433.54	3.30	-68.54
C[N@@H+]1CC2CC1(C(=O)N1CCC3(COC(CNC(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300028792170	0	54	0.0	-80.12	413.93	2.45	-77.67
C[N@H+]1CC2CC1(C(=O)N1CCC3(COC(CNC(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300028792170	1	54	0.0	-77.35	415.09	2.53	-74.82
CC(C[NH+](C)C)C(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028792179	0	55	0.0	-78.56	425.71	2.34	-76.22
C[NH+](C)C1(C(=O)N2CCC3(COC(CNC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300028792185	0	53	0.0	-78.99	406.95	1.78	-77.21
C[C@H](C(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300028792196	0	52	0.0	-72.77	403.47	1.58	-71.19
CC[N@@H+]1CCC1C(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028792199	1	53	0.0	-74.83	417.86	2.18	-72.65
CC[N@H+]1CCC1C(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028792199	1	53	0.0	-71.34	408.21	1.79	-69.55
NC1=CC=[NH+]C=C1C(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028792215	0	49	0.0	-78.63	392.56	-0.88	-79.51
CCCC(C(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300028792219	0	58	0.0	-73.66	437.64	3.04	-70.62
C[NH+](C)C(C)(C)C(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028792222	0	55	0.0	-80.08	404.75	2.10	-77.98
CC(CC[NH+](C)C)C(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028792231	0	58	0.0	-77.86	446.41	2.99	-74.87
O=C(C[NH+]1CC2CC2C1)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028792294	0	54	0.0	-75.68	419.58	3.04	-72.64
C[N@@H+]1CCCCC1C(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028792305	0	56	0.0	-72.57	425.44	2.73	-69.84
C[N@H+]1CCCCC1C(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028792305	1	56	0.0	-74.88	420.46	2.53	-72.35
C[N@@H+]1CCC(=CC(=O)N2CCC3(COC(CNC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300028792333	0	54	0.0	-76.27	424.66	2.77	-73.50
C[N@H+]1CCC(=CC(=O)N2CCC3(COC(CNC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300028792333	1	54	0.0	-77.99	423.73	2.74	-75.25
CCC1C[NH+](CC(=O)N2CCC3(COC(CNC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300028792357	0	56	0.0	-73.37	440.16	3.07	-70.30
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028792362	0	53	0.0	-69.44	409.42	2.04	-67.40
C[N@H+]1CCC[C@H]1C(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028792362	1	53	0.0	-74.24	405.06	1.73	-72.51
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3(COC(CNC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300028792406	0	56	0.0	-75.63	437.49	3.01	-72.62
C[NH+](C)CCOCC(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028792424	0	56	0.0	-75.82	443.36	2.40	-73.42
O=C(C[NH+]1CCCCC1)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028792459	0	56	0.0	-71.75	429.23	3.08	-68.67
C[N@@H+]1CCCC(C(=O)N2CCC3(COC(CNC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300028792460	0	56	0.0	-68.80	420.67	2.74	-66.06
C[N@H+]1CCCC(C(=O)N2CCC3(COC(CNC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300028792460	1	56	0.0	-76.63	425.53	2.54	-74.09
CN1C=C[N+](CC(=O)N2CCC3(COC(CNC(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300028792461	0	51	0.0	-72.03	416.00	4.69	-67.34
C[N@H+](CC(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300028792471	0	53	0.0	-69.49	416.78	2.63	-66.86
C[N@@H+](CC(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300028792471	1	53	0.0	-72.86	415.61	2.62	-70.24
CC(CC(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300028792479	0	58	0.0	-83.32	443.34	3.22	-80.10
C[NH+]1CC(CC(=O)N2CCC3(COC(CNC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300028792530	0	53	0.0	-77.31	418.94	2.13	-75.18
C[NH+](C)CC(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028792537	0	49	0.0	-75.09	387.49	1.30	-73.79
C[N@H+](CCO)CCC(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028792547	0	56	0.0	-73.92	437.96	-0.75	-74.67
C[N@@H+](CCO)CCC(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028792547	1	56	0.0	-77.35	436.60	-0.78	-78.13
C[C@@H](C(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300028792548	0	52	0.0	-74.53	401.15	1.51	-73.02
CC(C(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CC(C)C1	REAL300028792562	0	56	0.0	-74.19	436.42	2.70	-71.49
CC1CC[N@@H+]1CC(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028792563	1	53	0.0	-73.56	410.51	1.99	-71.57
CC1CC[N@H+]1CC(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028792563	1	53	0.0	-72.74	419.01	2.35	-70.39
C[NH+](C)CC=CC(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028792565	0	53	0.0	-81.77	423.97	2.52	-79.25
CC1(C)C[NH+](CC(=O)N2CCC3(COC(CNC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300028792569	1	56	0.0	-72.42	438.12	2.85	-69.57
CC[NH+](CC)CC(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028792586	0	55	0.0	-73.09	419.08	2.36	-70.73
O=C(C[NH+]1CCC1)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028792591	1	50	0.0	-75.11	397.60	1.71	-73.40
CC[NH+](CC)CCC(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028792611	0	58	0.0	-76.98	441.09	2.96	-74.02
CC(C(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCC1	REAL300028792642	1	53	0.0	-72.86	405.93	1.84	-71.02
C[NH+](C)CC(C)(C)C(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028792646	0	58	0.0	-71.77	424.29	2.42	-69.35
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028792667	0	56	0.0	-74.56	419.43	2.51	-72.05
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028792667	1	56	0.0	-72.57	426.74	2.74	-69.83
C[NH+](C)CC(O)CC(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028792677	0	56	0.0	-81.83	440.19	0.33	-81.50
C=CCC(C(=O)N1CCC2(COC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300028792689	0	56	0.0	-73.60	430.14	2.80	-70.80
C[N@@H+]1CCCC1C(=O)NC1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028792837	0	56	0.0	-69.31	414.03	3.06	-66.25
C[N@H+]1CCCC1C(=O)NC1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028792837	1	56	0.0	-68.91	412.74	3.06	-65.85
CCC(C(=O)NC1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028792946	0	58	0.0	-70.04	417.45	3.04	-67.00
CCC[N@H+](C)CC(=O)NC1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028792951	0	58	0.0	-72.68	426.90	3.39	-69.29
CCC[N@@H+](C)CC(=O)NC1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028792951	1	58	0.0	-72.66	426.90	3.39	-69.27
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028792959	0	56	0.0	-72.56	407.61	2.50	-70.06
C[N@H+]1CCC[C@@H]1C(=O)NC1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028792959	1	56	0.0	-69.23	412.96	3.16	-66.07
CC[NH+](CC)CC(=O)NC1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028792964	0	58	0.0	-70.95	418.91	3.13	-67.82
CC[N@H+](C)CCC(=O)NC1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028793023	0	58	0.0	-73.71	427.76	3.17	-70.54
CC[N@@H+](C)CCC(=O)NC1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028793023	1	58	0.0	-73.68	427.76	3.18	-70.50
CC[C@@H](C(=O)NC1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028793026	0	58	0.0	-69.03	417.25	3.19	-65.84
C[NH+](C)CC(=O)NC1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028793044	0	52	0.0	-73.05	387.67	1.97	-71.08
CC(C(=O)NC1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+]1CCC1	REAL300028793048	1	56	0.0	-70.10	415.68	3.14	-66.96
C[N@H+](CC(=O)NC1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300028793055	0	56	0.0	-69.17	416.92	3.37	-65.80
C[N@@H+](CC(=O)NC1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300028793055	1	56	0.0	-69.91	417.07	3.38	-66.53
C[NH+]1CC(CC(=O)NC2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028793061	0	56	0.0	-72.78	419.11	2.78	-70.00
C[C@@H](C(=O)NC1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028793069	0	55	0.0	-70.41	405.47	2.49	-67.92
C[C@@H](C(=O)NC1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028793091	0	55	0.0	-70.41	405.47	2.49	-67.92
O=C(C[NH+]1CCC1)NC1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028793110	1	53	0.0	-72.44	397.99	2.47	-69.97
C[C@H](C(=O)NC1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028793121	0	55	0.0	-71.37	405.95	2.48	-68.89
CC1C[NH+](CC(=O)NC2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028793129	1	56	0.0	-72.66	419.20	3.19	-69.47
C[N@H+](CCO)CC(=O)NC1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028793140	1	56	0.0	-72.96	415.75	-0.60	-73.56
C[N@@H+](CCO)CC(=O)NC1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028793140	1	56	0.0	-72.96	415.58	-0.61	-73.57
CC[N@H+](C)CC(=O)NC1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028793147	0	55	0.0	-72.25	405.40	2.64	-69.61
CC[N@@H+](C)CC(=O)NC1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028793147	1	55	0.0	-72.20	405.40	2.64	-69.56
C[NH+](C)CC=CC(=O)NC1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028793166	0	56	0.0	-77.01	424.94	3.24	-73.77
CC[N@@H+]1CCC1C(=O)NC1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028793172	1	56	0.0	-71.70	419.35	2.93	-68.77
CC[N@H+]1CCC1C(=O)NC1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028793172	1	56	0.0	-70.67	412.15	2.64	-68.03
C[NH+](C)C(C)(C)C(=O)NC1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028793186	0	58	0.0	-75.57	415.12	3.14	-72.43
C[NH+](C)C1(C(=O)NC2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300028793211	0	56	0.0	-76.40	411.98	3.04	-73.36
CC(C[NH+](C)C)C(=O)NC1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028793234	0	58	0.0	-73.35	426.07	3.24	-70.11
CC1CC[N@@H+]1CC(=O)NC1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028793246	1	56	0.0	-70.59	413.70	2.91	-67.68
CC1CC[N@H+]1CC(=O)NC1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028793246	1	56	0.0	-71.13	419.02	3.07	-68.06
NC(=[NH2+])SCC(=O)NC1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028793269	0	50	0.0	-74.08	395.58	-1.08	-75.16
C[N@@H+]1CCC[C@H]1C(=O)NC1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028793301	0	56	0.0	-69.29	413.62	3.06	-66.23
C[N@H+]1CCC[C@H]1C(=O)NC1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028793301	1	56	0.0	-72.33	407.59	2.50	-69.83
C[N@@H+]1CCCC1C(=O)N1CCC2(CC1)CC(NC(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028793415	0	56	0.0	-70.88	409.43	2.77	-68.11
C[N@H+]1CCCC1C(=O)N1CCC2(CC1)CC(NC(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028793415	1	56	0.0	-68.41	409.28	2.77	-65.64
CCC(C(=O)N1CCC2(CC1)CC(NC(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300028793494	0	58	0.0	-69.05	417.21	3.10	-65.95
CCC[N@H+](C)CC(=O)N1CCC2(CC1)CC(NC(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028793498	0	58	0.0	-72.86	430.07	3.63	-69.23
CCC[N@@H+](C)CC(=O)N1CCC2(CC1)CC(NC(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028793498	1	58	0.0	-69.88	429.99	3.63	-66.25
CC[N@H+](C)CCC(=O)N1CCC2(CC1)CC(NC(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028793516	0	58	0.0	-75.08	430.90	3.50	-71.58
CC[N@@H+](C)CCC(=O)N1CCC2(CC1)CC(NC(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028793516	1	58	0.0	-75.03	430.92	3.48	-71.55
CC[C@@H](C(=O)N1CCC2(CC1)CC(NC(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300028793559	0	58	0.0	-66.50	419.06	3.13	-63.37
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CC1)CC(NC(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028793606	0	56	0.0	-71.76	409.54	2.75	-69.01
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CC1)CC(NC(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028793606	1	56	0.0	-69.70	412.71	3.06	-66.64
C[C@@H](C(=O)N1CCC2(CC1)CC(NC(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300028793662	0	55	0.0	-67.79	406.86	2.61	-65.18
C[N@H+](CCO)CC(=O)N1CCC2(CC1)CC(NC(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028793672	1	56	0.0	-70.33	418.84	-0.35	-70.68
C[N@@H+](CCO)CC(=O)N1CCC2(CC1)CC(NC(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028793672	1	56	0.0	-73.25	418.67	-0.35	-73.60
CC1C[NH+](CC(=O)N2CCC3(CC2)CC(NC(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028793691	1	56	0.0	-69.93	422.11	3.30	-66.63
CC[N@H+](C)CC(=O)N1CCC2(CC1)CC(NC(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028793709	0	55	0.0	-72.53	408.55	2.88	-69.65
CC[N@@H+](C)CC(=O)N1CCC2(CC1)CC(NC(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028793709	1	55	0.0	-69.52	408.49	2.89	-66.63
CC(C[NH+](C)C)C(=O)N1CCC2(CC1)CC(NC(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028793742	0	58	0.0	-75.00	428.35	3.35	-71.65
C[NH+](C)C1(C(=O)N2CCC3(CC2)CC(NC(=O)C2=CC(=O)[N-]O2)CCO3)CC1	REAL300028793745	0	56	0.0	-71.25	412.82	2.80	-68.45
C[C@H](C(=O)N1CCC2(CC1)CC(NC(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300028793749	0	55	0.0	-70.94	407.51	2.63	-68.31
CC[N@@H+]1CCC1C(=O)N1CCC2(CC1)CC(NC(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028793752	0	56	0.0	-67.88	412.47	2.78	-65.10
CC[N@H+]1CCC1C(=O)N1CCC2(CC1)CC(NC(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028793752	1	56	0.0	-72.16	421.32	3.18	-68.98
C[NH+](C)C(C)(C)C(=O)N1CCC2(CC1)CC(NC(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028793761	0	58	0.0	-73.57	411.64	2.76	-70.81
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CC(NC(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028793825	0	56	0.0	-68.98	412.60	2.97	-66.01
C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CC(NC(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028793825	1	56	0.0	-68.36	409.48	2.75	-65.61
C[N@H+](CC(=O)N1CCC2(CC1)CC(NC(=O)C1=CC(=O)[N-]O1)CCO2)C1CC1	REAL300028793864	0	56	0.0	-67.44	420.18	3.63	-63.81
C[N@@H+](CC(=O)N1CCC2(CC1)CC(NC(=O)C1=CC(=O)[N-]O1)CCO2)C1CC1	REAL300028793864	1	56	0.0	-70.30	420.22	3.63	-66.67
C[NH+]1CC(CC(=O)N2CCC3(CC2)CC(NC(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028793893	0	56	0.0	-71.23	422.05	3.09	-68.14
C[NH+](C)CC(=O)N1CCC2(CC1)CC(NC(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028793896	0	52	0.0	-73.31	390.80	2.22	-71.09
C[C@@H](C(=O)N1CCC2(CC1)CC(NC(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300028793899	0	55	0.0	-67.79	406.86	2.61	-65.18
CC1CC[N@@H+]1CC(=O)N1CCC2(CC1)CC(NC(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028793908	0	56	0.0	-68.34	422.13	3.33	-65.01
CC1CC[N@H+]1CC(=O)N1CCC2(CC1)CC(NC(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028793908	1	56	0.0	-67.69	416.60	3.04	-64.65
C[NH+](C)CC=CC(=O)N1CCC2(CC1)CC(NC(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028793909	0	56	0.0	-77.83	426.95	3.49	-74.34
CC[NH+](CC)CC(=O)N1CCC2(CC1)CC(NC(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028793915	0	58	0.0	-70.74	426.56	3.57	-67.17
O=C(C[NH+]1CCC1)N1CCC2(CC1)CC(NC(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028793916	1	53	0.0	-70.05	400.91	2.63	-67.42
CC(C(=O)N1CCC2(CC1)CC(NC(=O)C1=CC(=O)[N-]O1)CCO2)[NH+]1CCC1	REAL300028793940	0	56	0.0	-70.67	419.08	3.12	-67.55
C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028794142	0	49	0.0	-72.12	354.62	3.66	-68.46
C[N@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028794142	1	49	0.0	-72.74	355.48	3.69	-69.05
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2)[NH+]1CCCCCC1	REAL300028794337	0	58	0.0	-69.59	403.22	5.51	-64.08
CC(C)[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028794339	0	58	0.0	-68.34	398.70	5.24	-63.10
CC(C)[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028794339	1	58	0.0	-67.70	399.96	5.31	-62.39
CC(C)[N@@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028794360	0	55	0.0	-70.36	377.54	5.19	-65.17
CC(C)[N@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028794360	1	55	0.0	-69.89	385.37	5.43	-64.46
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C2(CCC2)C1	REAL300028794377	0	56	0.0	-74.35	400.82	5.76	-68.59
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC3CCCC[N@H+]3C2)C2(CCC2)C1	REAL300028794377	1	56	0.0	-74.27	400.75	5.71	-68.56
CC(C)C1=[NH+]C=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028794399	1	53	0.0	-68.43	400.84	5.84	-62.59
CC1=[NH+]C=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028794433	1	47	0.0	-69.72	366.11	4.77	-64.95
CC(C[NH+]1CCOCC1)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028794435	1	56	0.0	-76.23	405.19	3.67	-72.56
O=C(CCC[NH+]1CCCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028794452	0	58	0.0	-74.54	422.75	6.49	-68.05
CC(C)(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2)[NH+]1CCCCC1	REAL300028794471	0	58	0.0	-67.78	398.45	5.52	-62.26
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CC[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2)[NH+](C)C	REAL300028796002	0	51	0.0	-72.28	366.11	4.20	-68.08
C[NH+]1CCC(O)(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)CC1	REAL300028796181	0	56	0.0	-71.21	404.86	3.46	-67.75
C[NH+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028796193	0	45	0.0	-76.05	337.27	3.19	-72.86
O=C(C[NH+]1CCC(CO)CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028796197	0	56	0.0	-77.28	410.43	2.29	-74.99
O=C(C[NH+]1CCCCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028796199	0	55	0.0	-75.81	389.61	5.50	-70.31
CN1C=C[N+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)=C1	REAL300028796203	0	47	0.0	-71.28	368.51	6.71	-64.57
C[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)C1	REAL300028796210	0	52	0.0	-74.52	378.70	4.64	-69.88
C[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)C1	REAL300028796210	1	52	0.0	-68.66	370.89	4.69	-63.97
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCC[N@@H+]2C2CC2)C2(CCC2)C1	REAL300028796215	0	53	0.0	-71.61	381.38	4.85	-66.76
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCC[N@H+]2C2CC2)C2(CCC2)C1	REAL300028796215	1	53	0.0	-70.62	378.13	4.91	-65.71
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2)[NH+]1CCC1	REAL300028796244	1	49	0.0	-71.71	361.16	3.97	-67.74
CCC(CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2)C[NH+](C)C	REAL300028796250	0	57	0.0	-69.42	411.93	5.86	-63.56
C[NH+](C)CC(C)(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028796257	0	54	0.0	-73.91	373.97	4.27	-69.64
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C2(CCC2)C1	REAL300028796275	0	54	0.0	-68.65	393.96	5.42	-63.23
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C2(CCC2)C1	REAL300028796275	1	54	0.0	-69.13	392.33	5.56	-63.57
O=C(C[NH+]1CCC(O)CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028796286	1	53	0.0	-79.44	390.02	1.70	-77.74
C[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2)C1CC1	REAL300028796287	0	49	0.0	-72.01	366.27	4.53	-67.48
C[N@@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2)C1CC1	REAL300028796287	1	49	0.0	-72.90	366.62	4.60	-68.30
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2)N1CC[NH+](C)CC1	REAL300028796288	1	57	0.0	-72.11	412.21	3.12	-68.99
C[NH+]1CC(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)C1	REAL300028796307	0	49	0.0	-75.40	368.72	4.07	-71.33
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC[N@@H+]2C2CCCC2)C2(CCC2)C1	REAL300028796311	0	56	0.0	-72.33	400.85	5.58	-66.75
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC[N@H+]2C2CCCC2)C2(CCC2)C1	REAL300028796311	1	56	0.0	-72.61	400.71	5.50	-67.11
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028796319	0	55	0.0	-71.08	379.94	4.34	-66.74
CC(C)(C)[N@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028796319	1	55	0.0	-70.64	376.64	4.04	-66.60
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2)[NH+](C)C	REAL300028796330	0	48	0.0	-71.91	351.03	3.40	-68.51
CCC1CCC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)C1	REAL300028796372	0	58	0.0	-75.47	417.62	6.26	-69.21
CCC1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)C1	REAL300028796372	1	58	0.0	-75.93	410.79	6.14	-69.79
C[NH+](C)CC1=CC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)N1	REAL300028796380	0	53	0.0	-78.32	400.57	4.62	-73.70
[NH2+]=C1SC=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028796425	0	45	0.0	-69.24	363.74	3.34	-65.90
C[N@H+](CCO)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028796435	0	52	0.0	-75.76	387.66	1.23	-74.53
C[N@@H+](CCO)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028796435	1	52	0.0	-75.13	387.61	1.25	-73.88
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2)[NH+](C)C	REAL300028796436	0	48	0.0	-71.91	351.03	3.40	-68.51
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028796440	0	52	0.0	-72.54	364.46	4.13	-68.41
C[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028796440	1	52	0.0	-69.52	377.07	4.73	-64.79
CC1CN2CC[N@@H+]1CC2C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028796449	0	55	0.0	-76.40	384.29	1.80	-74.60
CC1CN2CC[N@H+]1CC2C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028796449	1	55	0.0	-76.26	386.34	1.73	-74.53
O=C(CC1=CC2=C[NH+]=CN2C=C1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028796495	0	50	0.0	-71.21	391.08	7.39	-63.82
C[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2)C1CCSC1	REAL300028796520	0	53	0.0	-81.28	396.62	5.44	-75.84
C[N@@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2)C1CCSC1	REAL300028796520	1	53	0.0	-81.88	396.58	5.42	-76.46
O=C(C[NH+]1CCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028796521	1	46	0.0	-75.42	347.55	3.68	-71.74
C[NH+](C)CC1=CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)=CC=N1	REAL300028796551	1	54	0.0	-70.62	409.31	4.51	-66.11
C[N@@H+]1CCC(=CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)C1	REAL300028796553	0	50	0.0	-76.47	374.39	4.70	-71.77
C[N@H+]1CCC(=CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)C1	REAL300028796553	1	50	0.0	-76.38	373.51	4.75	-71.63
C[NH+](C)CCOCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028796587	0	52	0.0	-71.78	393.01	4.16	-67.62
CCCCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028796593	0	60	0.0	-77.93	441.60	6.69	-71.24
CCCCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028796593	1	60	0.0	-78.03	441.60	6.69	-71.34
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)O1	REAL300028796602	0	56	0.0	-72.42	412.74	4.74	-67.68
C=CCC(C)(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2)[NH+](C)C	REAL300028796609	0	55	0.0	-68.22	380.77	4.60	-63.62
C[S+](C)CCC(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028796614	0	51	0.0	-76.35	397.92	2.46	-73.89
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028796641	0	53	0.0	-70.18	374.51	0.29	-69.89
CN1CC[N@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)C1	REAL300028796653	0	57	0.0	-70.87	404.54	3.02	-67.85
CN1CC[N@@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)C1	REAL300028796653	1	57	0.0	-70.87	404.54	3.02	-67.85
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2)[N@@H+]1CCCC(O)C1	REAL300028796654	0	56	0.0	-71.08	402.47	2.08	-69.00
C[N@@H+]1CCCC(O)(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)C1	REAL300028796673	0	56	0.0	-73.59	395.14	3.34	-70.25
C[N@H+]1CCCC(O)(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)C1	REAL300028796673	1	56	0.0	-73.59	395.14	3.34	-70.25
CC1CN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)C1	REAL300028796676	0	49	0.0	-75.25	368.27	4.23	-71.02
CC1C[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)C1	REAL300028796676	1	49	0.0	-75.25	368.27	4.23	-71.02
CN(CCO)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028796703	0	49	0.0	-75.86	364.76	0.56	-75.30
C[N@H+](CCO)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028796703	1	49	0.0	-75.16	364.60	0.60	-74.56
C[N@@H+](CCO)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028796703	1	49	0.0	-75.16	364.60	0.60	-74.56
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2C[N@@H+]3CCN2CCC3)C2(CCC2)C1	REAL300028796726	0	55	0.0	-79.56	379.50	2.48	-77.08
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2C[N@H+]3CCN2CCC3)C2(CCC2)C1	REAL300028796726	1	55	0.0	-79.56	379.50	2.48	-77.08
CC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)C1	REAL300028796732	0	55	0.0	-68.10	387.47	5.35	-62.75
CC[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)C1	REAL300028796732	1	55	0.0	-68.10	387.47	5.35	-62.75
CC(CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2)C[NH+](C)C	REAL300028796734	0	54	0.0	-75.17	394.40	5.24	-69.93
CC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028796747	0	48	0.0	-75.20	355.03	3.86	-71.34
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CCC[N@@H+]2CCCC3)C2(CCC2)C1	REAL300028796775	0	56	0.0	-67.41	384.21	4.93	-62.48
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CCC[N@H+]2CCCC3)C2(CCC2)C1	REAL300028796775	1	56	0.0	-67.41	384.21	4.93	-62.48
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CCC[N@@H+]2CC=CC3)C2(CCC2)C1	REAL300028796782	0	54	0.0	-66.73	376.82	4.82	-61.91
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CCC[N@H+]2CC=CC3)C2(CCC2)C1	REAL300028796782	1	54	0.0	-66.73	376.82	4.82	-61.91
CC[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2)C1CC1	REAL300028796803	0	52	0.0	-72.28	382.76	5.20	-67.08
CC[NH+](CC)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028796821	0	54	0.0	-75.21	394.85	5.17	-70.04
CC1(C)CN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)C1	REAL300028796846	0	52	0.0	-75.37	387.79	4.81	-70.56
CC1(C)C[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)C1	REAL300028796846	1	52	0.0	-75.37	387.79	4.81	-70.56
CC1(O)CC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)C1	REAL300028796874	0	53	0.0	-74.42	392.84	1.48	-72.94
CC1(O)CC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)C1	REAL300028796874	1	53	0.0	-75.76	393.24	1.46	-74.30
C[NH+](C)CC=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028796881	0	49	0.0	-77.03	371.43	4.39	-72.64
CC(OCC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028796903	0	55	0.0	-71.79	408.74	4.55	-67.24
C[NH+](C)CCOCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028796912	0	55	0.0	-71.95	413.96	4.05	-67.90
COCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028796913	1	52	0.0	-74.97	386.85	3.00	-71.97
COCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028796913	1	52	0.0	-76.26	387.01	2.97	-73.29
C[NH+](C)C1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)CCCC1	REAL300028796949	0	55	0.0	-71.33	379.91	4.85	-66.48
CC(CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2)[NH+](C)C	REAL300028796952	0	54	0.0	-73.21	394.37	5.01	-68.20
CC[N@@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028796961	1	49	0.0	-72.35	361.01	3.81	-68.54
CC[N@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028796961	1	49	0.0	-73.40	367.15	4.05	-69.35
CC(C)[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)C1	REAL300028796971	0	58	0.0	-71.04	410.62	5.70	-65.34
CC(C)[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)C1	REAL300028796971	1	58	0.0	-71.64	412.94	5.78	-65.86
O=C(C[N@H+]1CCCC1CO)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028796984	0	53	0.0	-73.70	391.64	1.60	-72.10
O=C(C[N@@H+]1CCCC1CO)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028796984	1	53	0.0	-74.33	386.13	1.19	-73.14
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C2(CCC2)C1	REAL300028797006	0	56	0.0	-74.35	400.82	5.76	-68.59
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC3CCCC[N@H+]3C2)C2(CCC2)C1	REAL300028797006	1	56	0.0	-74.27	400.75	5.71	-68.56
C[NH+]1CCC(C)(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)CC1	REAL300028797012	0	55	0.0	-72.85	384.25	4.64	-68.21
C[NH+](C)CC1=CNC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)=C1	REAL300028797018	0	53	0.0	-73.80	400.07	4.71	-69.09
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2)[NH+]1CCC(O)CC1	REAL300028797034	0	56	0.0	-74.67	399.06	1.78	-72.89
C=CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2)[NH+](C)C	REAL300028797042	0	52	0.0	-72.54	381.88	4.71	-67.83
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028797055	0	55	0.0	-69.61	400.38	5.18	-64.43
C[N@H+]1CC(C)(C)CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028797055	1	55	0.0	-70.93	392.29	4.56	-66.37
C[NH+](C)CCCCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028797059	0	57	0.0	-72.99	424.14	6.17	-66.82
O=C(C[NH+]1CC2CC2C1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028797067	0	50	0.0	-75.39	372.01	5.02	-70.37
CC1C[N@@H+]2CCN1C(C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)CC13CCC3)C2	REAL300028797094	0	55	0.0	-77.36	386.32	1.79	-75.57
CC1C[N@H+]2CCN1C(C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)CC13CCC3)C2	REAL300028797094	1	55	0.0	-79.41	385.19	1.89	-77.52
CCCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2)[NH+](C)C	REAL300028797095	0	54	0.0	-72.93	388.98	4.94	-67.99
C[NH+](C)C(C)(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028797099	0	51	0.0	-71.26	357.55	3.73	-67.53
C[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028797141	0	52	0.0	-69.51	375.85	4.59	-64.92
C[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028797141	1	52	0.0	-69.92	377.23	4.71	-65.21
C[N@H+]1CC=C(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)CC1	REAL300028797181	0	53	0.0	-71.92	396.39	5.57	-66.35
C[N@@H+]1CC=C(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)CC1	REAL300028797181	1	53	0.0	-70.32	395.68	5.52	-64.80
O=C(CC1([NH+]2CCCC2)CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028797190	0	56	0.0	-71.02	401.62	5.95	-65.07
C[NH+](C)CC1=CC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)O1	REAL300028797239	1	52	0.0	-75.94	398.48	4.87	-71.07
C[NH+](C)CC1=CC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)C=N1	REAL300028797244	0	54	0.0	-75.04	409.79	4.28	-70.76
O=C(C=CC[NH+]1CCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028797256	0	53	0.0	-75.75	396.75	5.53	-70.22
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C2(CCC2)C1	REAL300028797280	0	56	0.0	-74.68	407.65	5.96	-68.72
C[NH+](C)C1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)CC1	REAL300028797301	0	49	0.0	-73.21	360.70	3.90	-69.31
O=C(CC[NH+]1CCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028797303	0	52	0.0	-75.69	385.30	4.91	-70.78
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2C[NH+]3CCN2CC3)C2(CCC2)C1	REAL300028797341	0	52	0.0	-77.94	369.92	1.23	-76.71
C[N@@H+]1CC2CC1(C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)CC13CCC3)C2	REAL300028797351	0	50	0.0	-71.39	363.84	4.17	-67.22
C[N@H+]1CC2CC1(C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)CC13CCC3)C2	REAL300028797351	1	50	0.0	-70.82	363.43	4.16	-66.66
O=C(C[N@@H+]1CC2CCC1C2)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028797365	0	53	0.0	-71.83	380.55	5.06	-66.77
O=C(C[N@H+]1CC2CCC1C2)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028797365	1	53	0.0	-73.16	383.78	5.28	-67.88
O=C(C=C1C[NH+]2CCC1CC2)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028797406	0	54	0.0	-70.09	392.04	5.50	-64.59
O=C(C[N@@H+]1CC2C=CC1C2)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028797416	1	51	0.0	-71.20	375.39	5.02	-66.18
O=C(C[N@H+]1CC2C=CC1C2)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028797416	1	51	0.0	-73.46	376.22	5.05	-68.41
CC[NH+]1CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)CC1	REAL300028797448	0	57	0.0	-71.53	413.74	3.29	-68.24
CC(C[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028797468	0	51	0.0	-75.05	370.05	4.11	-70.94
C[N@@H+]1CCCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028797546	0	55	0.0	-68.14	388.31	5.25	-62.89
C[N@H+]1CCCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028797546	1	55	0.0	-76.79	396.43	5.41	-71.38
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CC34CCC4)C=CN2C=[NH+]1	REAL300028797562	1	50	0.0	-73.39	387.94	6.82	-66.57
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2)[NH+]1CC(C)C1	REAL300028797563	0	52	0.0	-71.25	382.46	4.66	-66.59
CC1CC[N@@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028797566	1	49	0.0	-72.72	362.61	3.89	-68.83
CC1CC[N@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028797566	1	49	0.0	-73.92	368.63	4.27	-69.65
C[NH+](C)CC(O)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028797571	0	52	0.0	-78.37	389.91	2.09	-76.28
CC1C[N@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)O1	REAL300028797599	1	53	0.0	-82.12	384.38	3.59	-78.53
CC1C[N@@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)O1	REAL300028797599	1	53	0.0	-82.58	383.28	3.62	-78.96
O=C(CC[NH+]1CCC(O)CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028797608	0	56	0.0	-79.91	411.89	2.30	-77.61
CCC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028797610	0	58	0.0	-69.02	416.14	6.15	-62.87
CCC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028797610	1	58	0.0	-68.72	416.55	6.13	-62.59
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)C1	REAL300028797689	0	52	0.0	-73.66	386.42	4.94	-68.72
CC(CC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028797697	0	54	0.0	-74.05	391.71	4.74	-69.31
C[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2)[C@@H]1CCC[C@H]1O	REAL300028797718	0	56	0.0	-69.96	407.83	2.58	-67.38
C[N@@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2)[C@@H]1CCC[C@H]1O	REAL300028797718	1	56	0.0	-72.92	407.38	2.54	-70.38
C#CC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028797727	1	54	0.0	-71.43	393.24	5.49	-65.94
C#CC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028797727	1	54	0.0	-71.46	394.25	5.66	-65.80
C[NH+]1CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)CC1	REAL300028797730	1	54	0.0	-72.62	396.00	2.60	-70.02
CC[NH+]1CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)CC1	REAL300028797739	0	57	0.0	-71.53	413.74	3.29	-68.24
NC(=[NH2+])SCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028797765	0	43	0.0	-75.45	345.13	0.23	-75.22
CCN1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028797802	0	56	0.0	-75.36	400.71	3.46	-71.90
CC[N@@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028797802	1	56	0.0	-76.09	399.98	3.53	-72.56
CC[N@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028797802	1	56	0.0	-76.09	399.98	3.53	-72.56
C[NH+](C)C1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)CC1	REAL300028797818	0	58	0.0	-68.38	403.78	5.45	-62.93
C[NH+](C)CCC1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)CC1	REAL300028797819	0	55	0.0	-73.74	409.66	5.53	-68.21
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)CC1	REAL300028797821	0	58	0.0	-68.42	403.77	5.43	-62.99
C[N@@H+]1CC=CCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028797822	0	53	0.0	-69.52	382.74	5.20	-64.32
C[N@H+]1CC=CCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028797822	1	53	0.0	-69.52	382.74	5.20	-64.32
C[C@@H](OCC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028797845	0	55	0.0	-69.84	408.43	4.54	-65.30
C[NH+]1C2CCC1CC(C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)CC13CCC3)C2	REAL300028797873	0	56	0.0	-72.24	379.88	5.62	-66.62
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2)[NH+]1CCSCC1	REAL300028797983	1	53	0.0	-74.35	392.22	5.03	-69.32
CCC1C[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)C1	REAL300028797985	0	52	0.0	-76.23	388.96	4.99	-71.24
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2([NH+]3CCCC3)CCC2)C2(CCC2)C1	REAL300028797987	0	56	0.0	-68.12	393.97	5.41	-62.71
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028797996	0	49	0.0	-70.16	359.46	3.96	-66.20
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028797996	1	49	0.0	-73.13	355.47	3.60	-69.53
O=C(CC[N@H+]1CCC(F)C1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028798003	0	52	0.0	-81.12	391.16	5.01	-76.11
O=C(CC[N@@H+]1CCC(F)C1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028798003	1	52	0.0	-81.04	391.26	4.99	-76.05
COC1C[N@H+](C)C(C)(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)C1	REAL300028798011	0	56	0.0	-67.85	395.15	2.77	-65.08
COC1C[N@@H+](C)C(C)(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)C1	REAL300028798011	1	56	0.0	-69.64	396.48	2.86	-66.78
O=C(CC[NH+]1CCCCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028798020	0	58	0.0	-77.77	410.99	5.81	-71.96
O=C(C[NH+]1CCCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028798022	0	52	0.0	-75.00	378.30	5.01	-69.99
CC1C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)CC[N@@H+]1C	REAL300028798032	0	52	0.0	-75.47	369.58	4.50	-70.97
CC1C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)CC[N@H+]1C	REAL300028798032	1	52	0.0	-75.30	373.38	4.16	-71.14
C[N@@H+]1CCCCC1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028798034	0	58	0.0	-72.27	417.93	6.13	-66.14
C[N@H+]1CCCCC1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028798034	1	58	0.0	-76.79	410.54	5.94	-70.85
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC[N@@H+]3CCOCC23)C2(CCC2)C1	REAL300028798064	0	54	0.0	-77.34	392.59	3.29	-74.05
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC[N@H+]3CCOCC23)C2(CCC2)C1	REAL300028798064	1	54	0.0	-77.69	392.02	3.30	-74.39
CC1=[NH+]C=C2C=CC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CC34CCC4)=CN21	REAL300028798069	0	50	0.0	-68.30	387.23	6.01	-62.29
C[N@@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028798086	1	53	0.0	-71.52	380.08	2.84	-68.68
C[N@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028798086	1	53	0.0	-72.02	379.69	2.86	-69.16
CC1=C(C)[NH+]=C(CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)N1	REAL300028798094	1	53	0.0	-69.11	407.45	4.52	-64.59
C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028798266	0	49	0.0	-63.94	358.35	3.95	-59.99
C[N@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028798266	1	49	0.0	-72.77	362.71	4.13	-68.64
C[N@@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C1	REAL300028798292	1	50	0.0	-73.02	369.89	3.40	-69.62
C[N@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C1	REAL300028798292	1	50	0.0	-68.74	363.01	3.17	-65.57
CC1=[NH+]C=CN1CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028798454	1	53	0.0	-65.47	408.08	6.05	-59.42
C[NH+](C)CC1=CC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C=C1	REAL300028798459	0	55	0.0	-70.93	414.55	6.38	-64.55
O=C(CC[NH+]1CCOCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028798460	1	53	0.0	-72.27	392.32	3.13	-69.14
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CCC[NH+]2CCC3)CC12CCC2	REAL300028798485	0	53	0.0	-61.28	367.18	4.58	-56.70
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC12CCC2	REAL300028798495	1	47	0.0	-77.69	371.62	6.47	-71.22
C[NH+](C)C1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C1	REAL300028798555	0	58	0.0	-68.94	405.35	5.62	-63.32
C[N@@H+]1CCC(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C1	REAL300028798558	0	52	0.0	-70.06	382.88	4.82	-65.24
C[N@H+]1CCC(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C1	REAL300028798558	1	52	0.0	-69.82	383.68	4.74	-65.08
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028798570	0	51	0.0	-69.65	390.94	2.85	-66.80
CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)[NH+](C)C	REAL300028798575	0	51	0.0	-64.62	363.43	4.06	-60.56
C[NH+](C)CCCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028798642	0	54	0.0	-69.50	402.42	5.25	-64.25
CC(C)C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)[NH+](C)C	REAL300028798664	0	54	0.0	-65.28	376.04	4.60	-60.68
CCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028798666	0	54	0.0	-70.24	398.66	5.07	-65.17
CCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028798666	1	54	0.0	-70.13	398.20	5.20	-64.93
CCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028798672	0	51	0.0	-68.76	376.28	4.48	-64.28
CCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028798672	1	51	0.0	-68.71	375.82	4.60	-64.11
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CC[N@H+](C2)CCC3)CC12CCC2	REAL300028798696	0	53	0.0	-77.08	365.64	3.84	-73.24
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CC[N@@H+](C2)CCC3)CC12CCC2	REAL300028798696	1	53	0.0	-69.19	367.53	3.83	-65.36
CCCCCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028798732	0	60	0.0	-70.03	440.78	6.81	-63.22
CCCCCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028798732	1	60	0.0	-70.01	440.78	6.83	-63.18
CC[NH+](CC)C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)C(C)C	REAL300028798737	0	60	0.0	-62.09	409.76	5.81	-56.28
CC1CC[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)CC1	REAL300028798770	0	55	0.0	-68.71	399.63	5.56	-63.15
C[NH+]1CCC(OCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)CC1	REAL300028798798	0	56	0.0	-72.12	417.06	5.27	-66.85
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC12CCC2	REAL300028798843	0	56	0.0	-66.37	399.34	5.67	-60.70
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC3CCCC[N@H+]3C2)CC12CCC2	REAL300028798843	1	56	0.0	-65.93	400.74	5.74	-60.19
C[NH+](C)CC1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)CC1	REAL300028798854	0	52	0.0	-65.79	384.92	4.68	-61.11
CC1=[NH+]C=C2CCC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C4(CCC4)C3)CN21	REAL300028798855	1	54	0.0	-61.70	405.19	5.72	-55.98
CC(C)[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)CC1	REAL300028798866	0	58	0.0	-67.81	411.38	5.68	-62.13
CC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028798891	0	51	0.0	-69.51	377.14	4.32	-65.19
CC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028798891	1	51	0.0	-69.54	377.14	4.34	-65.20
CC(C)(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)[NH+]1CCCCC1	REAL300028798917	0	58	0.0	-59.99	399.77	5.42	-54.57
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2C[NH+]3CCC2CC3)CC12CCC2	REAL300028798927	0	53	0.0	-70.53	372.19	4.64	-65.89
C[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)CC1	REAL300028799007	0	52	0.0	-70.16	377.96	4.59	-65.57
CC(C)[C@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)[NH+](C)C	REAL300028799025	0	54	0.0	-65.69	380.33	4.82	-60.87
CC[NH+](CC)CC(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028799120	0	54	0.0	-66.24	397.13	5.02	-61.22
CC(C)C[N@@H+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C1	REAL300028799155	0	58	0.0	-67.05	417.27	6.03	-61.02
CC(C)C[N@H+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C1	REAL300028799155	1	58	0.0	-75.11	417.52	5.97	-69.14
C[NH+](C)C1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)CCC1	REAL300028799159	0	52	0.0	-65.32	361.48	3.93	-61.39
CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)[NH+](CC)CC	REAL300028799190	0	57	0.0	-61.33	399.25	5.39	-55.94
CC1CCC[N@@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028799210	0	52	0.0	-64.87	375.76	4.46	-60.41
CC1CCC[N@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028799210	1	52	0.0	-64.94	375.79	4.44	-60.50
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)[NH+]1CCCCCC1	REAL300028799280	0	58	0.0	-63.32	400.49	5.50	-57.82
CC(C)[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028799282	0	58	0.0	-60.58	408.70	5.63	-54.95
CC(C)[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028799282	1	58	0.0	-61.95	400.22	5.33	-56.62
CC(C)[N@@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028799303	0	55	0.0	-63.23	387.51	5.54	-57.69
CC(C)[N@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028799303	1	55	0.0	-63.99	377.43	5.13	-58.86
CC(C)[N@@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028799309	0	58	0.0	-61.51	406.18	5.72	-55.79
CC(C)[N@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028799309	1	58	0.0	-61.63	405.93	5.20	-56.43
CC(C)[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)[NH+](C)C	REAL300028799324	0	54	0.0	-65.55	375.58	4.79	-60.76
CC1CC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C1	REAL300028799345	0	52	0.0	-67.56	381.99	4.87	-62.69
CC1CC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C1	REAL300028799345	1	52	0.0	-67.46	381.93	4.83	-62.63
CC1=[NH+]C=C2CC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C4(CCC4)C3)CCN21	REAL300028799347	1	54	0.0	-63.36	405.52	5.82	-57.54
CC1(C)CC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C1	REAL300028799350	0	55	0.0	-67.66	402.11	5.41	-62.25
CC1(C)CC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C1	REAL300028799350	1	55	0.0	-67.40	401.56	5.44	-61.96
C[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)CC(C)(C)C	REAL300028799351	0	57	0.0	-68.12	404.97	5.58	-62.54
C[N@@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)CC(C)(C)C	REAL300028799351	1	57	0.0	-67.93	407.42	5.64	-62.29
CC[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)[NH+](C)C	REAL300028799360	0	51	0.0	-64.79	362.79	3.96	-60.83
CN(CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)C1=CC=[NH+]C=C1	REAL300028799487	0	54	0.0	-64.09	411.08	4.89	-59.20
CC1=[NH+]C=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028799571	1	47	0.0	-64.67	365.44	4.65	-60.02
CC(C[NH+]1CCOCC1)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028799573	0	56	0.0	-69.83	408.27	3.78	-66.05
O=C(CCC[NH+]1CCCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028799590	0	58	0.0	-68.70	422.55	6.36	-62.34
C[NH+](C)CC1=CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)=NO1	REAL300028799608	1	51	0.0	-79.13	391.90	4.33	-74.80
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C=CC2=C[NH+]=CN21	REAL300028799609	0	50	0.0	-65.71	385.99	6.74	-58.97
CC(C)C1=[NH+]C=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028799644	1	53	0.0	-62.88	402.24	5.93	-56.95
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCCC3CCC[N@@H+]32)CC12CCC2	REAL300028799680	0	56	0.0	-60.58	399.01	5.73	-54.85
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCCC3CCC[N@H+]32)CC12CCC2	REAL300028799680	1	56	0.0	-63.08	390.27	5.18	-57.90
CC[N@@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C1	REAL300028799702	1	53	0.0	-68.32	378.59	3.78	-64.54
CC[N@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C1	REAL300028799702	1	53	0.0	-71.91	388.33	4.01	-67.90
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC12CCC2	REAL300028799755	0	47	0.0	-74.26	365.51	6.25	-68.01
CC1=C[NH+]=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028799760	1	47	0.0	-67.37	365.76	5.37	-62.00
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)CC[N@@H+]1C	REAL300028799776	0	52	0.0	-69.20	367.65	4.34	-64.86
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)CC[N@H+]1C	REAL300028799776	1	52	0.0	-68.00	377.17	4.86	-63.14
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)CC[N@@H+]1C	REAL300028799781	0	55	0.0	-68.35	393.76	4.82	-63.53
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)CC[N@H+]1C	REAL300028799781	1	55	0.0	-66.28	393.91	5.20	-61.08
CC1CCC(C)[NH+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028799794	0	55	0.0	-63.61	394.31	4.96	-58.65
O=C(CCC[NH+]1CCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028799800	0	55	0.0	-68.49	405.28	5.54	-62.95
C[NH+](C)CC1=CC=CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)=C1	REAL300028799801	0	55	0.0	-69.82	413.56	6.28	-63.54
C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)CC1	REAL300028799807	0	54	0.0	-72.05	405.76	5.91	-66.14
O=C(CC[NH+]1CCCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028799808	0	55	0.0	-68.82	400.60	5.67	-63.15
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028799812	0	55	0.0	-63.72	412.94	6.32	-57.40
CC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028799816	0	55	0.0	-63.65	383.35	4.79	-58.86
CC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028799816	1	55	0.0	-63.73	383.44	4.89	-58.84
C[NH+](C)C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)C1=CC=CC=C1	REAL300028799819	1	55	0.0	-64.28	405.17	6.30	-57.98
O=C(CN1C=[NH+]C2=C1CCCC2)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028799824	1	54	0.0	-66.11	408.65	7.14	-58.97
C[NH+](C)C1(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)CCCC1	REAL300028799860	0	58	0.0	-69.90	400.84	5.59	-64.31
C[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)C1CCC1	REAL300028800025	0	52	0.0	-66.11	382.69	5.17	-60.94
C[N@@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)C1CCC1	REAL300028800025	1	52	0.0	-66.49	382.83	5.18	-61.31
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)[NH+]1C(C)CCC1C	REAL300028800050	0	58	0.0	-59.76	405.62	5.50	-54.26
O=C(CCCC[NH+]1CCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028800063	0	58	0.0	-68.14	428.37	6.43	-61.71
C[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)CC1=CC=CC=C1	REAL300028800065	1	55	0.0	-72.54	413.25	6.78	-65.76
C[N@@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)CC1=CC=CC=C1	REAL300028800065	1	55	0.0	-72.74	413.71	6.66	-66.08
C[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)CC1	REAL300028800076	0	52	0.0	-70.16	377.96	4.59	-65.57
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028800121	0	49	0.0	-66.35	355.93	3.60	-62.75
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028800121	1	49	0.0	-64.78	358.15	3.89	-60.89
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028800145	1	51	0.0	-64.28	382.20	4.85	-59.43
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028800145	1	51	0.0	-65.13	388.49	5.24	-59.89
C[N@@H+]1CCCC1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028800151	0	55	0.0	-69.17	404.45	5.62	-63.55
C[N@H+]1CCCC1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028800151	1	55	0.0	-67.51	398.68	5.15	-62.36
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC12CCC2	REAL300028800162	0	56	0.0	-69.41	382.36	4.74	-64.67
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCC3CCCC[N@@H+]32)CC12CCC2	REAL300028800169	0	56	0.0	-61.56	400.86	5.95	-55.61
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCC3CCCC[N@H+]32)CC12CCC2	REAL300028800169	1	56	0.0	-61.71	401.62	5.85	-55.86
CCC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C1	REAL300028800242	0	58	0.0	-68.96	420.86	6.04	-62.92
CCC[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C1	REAL300028800242	1	58	0.0	-67.12	417.35	6.00	-61.12
CC(C)[N@@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C1	REAL300028800259	1	56	0.0	-81.35	404.88	4.49	-76.86
CC(C)[N@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C1	REAL300028800259	1	56	0.0	-64.93	395.51	4.25	-60.68
C[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028800290	0	52	0.0	-65.90	366.48	4.25	-61.65
C[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028800290	1	52	0.0	-63.64	377.15	4.72	-58.92
CC(C)C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028800314	0	58	0.0	-63.71	417.68	6.11	-57.60
CC(C)C[N@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028800314	1	58	0.0	-63.78	417.69	6.14	-57.64
O=C(C[NH+]1CCC(CO)CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028800329	0	56	0.0	-70.14	410.01	2.36	-67.78
CC1C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)CC[N@@H+]1C	REAL300028800375	0	52	0.0	-66.69	376.89	4.46	-62.23
CC1C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)CC[N@H+]1C	REAL300028800375	1	52	0.0	-66.70	374.10	4.25	-62.45
C[N@@H+]1CCCCC1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028800377	0	58	0.0	-69.59	410.52	5.97	-63.62
C[N@H+]1CCCCC1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028800377	1	58	0.0	-69.35	410.51	5.95	-63.40
NC1=[NH+]C2=C(C=C1C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C1)CCC2	REAL300028800409	1	52	0.0	-58.76	395.18	3.88	-54.88
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028800473	0	55	0.0	-63.43	398.43	4.84	-58.59
CC(C)(C)[N@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028800473	1	55	0.0	-64.81	376.97	4.18	-60.63
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)[NH+](C)C	REAL300028800492	0	48	0.0	-66.00	353.60	3.59	-62.41
C[NH+](C)CC1=CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)=CC=N1	REAL300028800506	1	54	0.0	-67.41	408.18	4.82	-62.59
C=CCC(C)(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)[NH+](C)C	REAL300028800510	0	55	0.0	-61.12	380.17	4.61	-56.51
O=C(CC[NH+]1CCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028800535	0	52	0.0	-69.00	385.42	4.87	-64.13
C[N@H+](CCO)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028800545	1	49	0.0	-69.04	364.68	0.62	-68.42
C[N@@H+](CCO)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028800545	1	49	0.0	-68.21	364.38	0.55	-67.66
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2C[N@@H+]3CCN2CCC3)CC12CCC2	REAL300028800583	0	55	0.0	-71.30	383.25	2.32	-68.98
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2C[N@H+]3CCN2CCC3)CC12CCC2	REAL300028800583	1	55	0.0	-70.64	382.72	2.41	-68.23
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)[NH+]1CCSCC1	REAL300028800605	1	53	0.0	-68.17	392.58	5.05	-63.12
C[N@H+]1CC=C(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)CC1	REAL300028800645	0	53	0.0	-68.03	396.11	5.45	-62.58
C[N@@H+]1CC=C(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)CC1	REAL300028800645	1	53	0.0	-66.85	396.24	5.47	-61.38
C[S+](C)CCC(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028800660	0	51	0.0	-67.73	397.72	2.50	-65.23
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028800679	0	53	0.0	-64.78	378.02	0.62	-64.16
C[N@H+]1CC(O)CC1(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028800679	1	53	0.0	-64.99	374.90	0.24	-64.75
CN1CC[N@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C1	REAL300028800692	0	57	0.0	-67.92	408.63	3.11	-64.81
CN1CC[N@@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C1	REAL300028800692	1	57	0.0	-66.58	407.65	3.01	-63.57
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)[N@@H+]1CCCC(O)C1	REAL300028800693	0	56	0.0	-64.86	404.53	2.16	-62.70
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)[N@H+]1CCCC(O)C1	REAL300028800693	1	56	0.0	-64.57	404.45	2.28	-62.29
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028800720	0	52	0.0	-62.75	398.08	3.87	-58.88
C[N@@H+]1CCCC(O)(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C1	REAL300028800726	0	56	0.0	-65.36	398.08	3.39	-61.97
C[N@H+]1CCCC(O)(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C1	REAL300028800726	1	56	0.0	-67.78	394.21	3.44	-64.34
CC1C[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C1	REAL300028800731	1	49	0.0	-68.23	367.91	4.28	-63.95
CC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C1	REAL300028800738	0	55	0.0	-68.07	389.56	5.39	-62.68
CC[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C1	REAL300028800738	1	55	0.0	-69.11	398.30	5.36	-63.75
NC1=[NH+]C=CC=C1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028800744	0	48	0.0	-64.84	371.29	2.92	-61.92
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCC[N@@H+]2C2CC2)CC12CCC2	REAL300028800757	0	53	0.0	-65.08	385.40	5.09	-59.99
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCC[N@H+]2C2CC2)CC12CCC2	REAL300028800757	1	53	0.0	-64.22	378.52	4.73	-59.49
O=C(C=CC[NH+]1CCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028800800	0	53	0.0	-78.33	396.01	5.43	-72.90
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC12CCC2	REAL300028800823	0	56	0.0	-67.94	405.56	5.94	-62.00
CC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028800870	0	48	0.0	-68.28	354.33	3.86	-64.42
O=C(CN1CC2C=CC1C2)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028800930	0	51	0.0	-64.69	375.46	5.05	-59.64
O=C(C[N@@H+]1CC2C=CC1C2)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028800930	1	51	0.0	-66.02	376.38	5.05	-60.97
O=C(C[N@H+]1CC2C=CC1C2)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028800930	1	51	0.0	-66.02	376.38	5.05	-60.97
CC1=CC=C(NCCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)N=C1	REAL300028800952	0	54	0.0	-63.65	415.97	4.54	-59.11
CC1=CC=C(NCCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)[NH+]=C1	REAL300028800952	1	54	0.0	-63.65	415.97	4.54	-59.11
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CCC[N@@H+]2CCCC3)CC12CCC2	REAL300028801058	0	56	0.0	-61.88	384.17	4.71	-57.17
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CCC[N@H+]2CCCC3)CC12CCC2	REAL300028801058	1	56	0.0	-61.88	384.17	4.71	-57.17
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CCC[N@@H+]2CC=CC3)CC12CCC2	REAL300028801067	0	54	0.0	-61.51	378.27	4.85	-56.66
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CCC[N@H+]2CC=CC3)CC12CCC2	REAL300028801067	1	54	0.0	-61.51	378.27	4.85	-56.66
CC(OCC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028801078	0	55	0.0	-71.93	408.30	4.78	-67.15
C[NH+](C)CCOCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028801088	0	55	0.0	-66.69	413.88	3.90	-62.79
COCCN(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028801090	0	52	0.0	-67.94	386.63	2.96	-64.98
COCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028801090	1	52	0.0	-69.30	387.39	2.91	-66.39
COCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028801090	1	52	0.0	-69.30	387.39	2.91	-66.39
CC(CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)[NH+](C)C	REAL300028801096	0	54	0.0	-70.00	389.39	4.95	-65.05
CC[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)C1CC1	REAL300028801123	0	52	0.0	-65.26	382.53	5.14	-60.12
CC1C[N@@H+]2CCN1C(C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C1)C2	REAL300028801139	0	55	0.0	-71.59	386.50	1.86	-69.73
C[N@@H+]1CC2CC1(C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C1)C2	REAL300028801164	0	50	0.0	-63.47	363.86	4.22	-59.25
CC1=NC(N)=CC=C1C=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028801174	0	52	0.0	-65.62	400.44	3.87	-61.75
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028801174	1	52	0.0	-65.62	400.44	3.87	-61.75
O=C(C[N@@H+]1CC2CCC1C2)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028801181	0	53	0.0	-65.38	381.43	5.09	-60.29
O=C(C[N@H+]1CC2CCC1C2)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028801181	1	53	0.0	-65.38	381.43	5.09	-60.29
CC(C[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028801203	0	51	0.0	-66.06	372.44	4.26	-61.80
CCN1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028801255	0	49	0.0	-65.52	360.25	3.82	-61.70
CC[N@@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028801255	1	49	0.0	-66.38	367.46	4.15	-62.23
CC[N@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028801255	1	49	0.0	-66.38	367.46	4.15	-62.23
CC(C)[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C1	REAL300028801268	0	58	0.0	-67.18	414.95	5.87	-61.31
CC(C)[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C1	REAL300028801268	1	58	0.0	-67.18	414.95	5.87	-61.31
CCC(C)(C)[NH2+]C(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028801283	0	57	0.0	-65.66	402.28	3.94	-61.72
C#CCN1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028801327	0	54	0.0	-64.77	391.65	5.50	-59.27
C#CC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028801327	1	54	0.0	-64.85	391.74	5.45	-59.40
C#CC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028801327	1	54	0.0	-64.85	391.74	5.45	-59.40
CNC1=NC(C)=CC=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028801328	0	51	0.0	-59.16	388.34	3.77	-55.39
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028801328	1	51	0.0	-59.16	388.34	3.77	-55.39
CCCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)[NH+](C)C	REAL300028801338	0	54	0.0	-66.76	388.30	4.93	-61.83
C[NH+](C)C(C)(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028801345	0	51	0.0	-63.42	356.01	3.55	-59.87
CC(CC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028801364	0	54	0.0	-70.24	397.76	4.89	-65.35
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC12CCC2	REAL300028801435	0	54	0.0	-61.04	390.99	6.30	-54.74
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028801474	0	55	0.0	-64.90	395.52	4.74	-60.16
C[N@H+]1CC(C)(C)CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028801474	1	55	0.0	-64.90	395.52	4.74	-60.16
C[NH+](C)CCCCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028801479	0	57	0.0	-68.72	423.46	6.15	-62.57
O=C(CC[NH+]1CCC(O)CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028801483	0	56	0.0	-73.00	411.71	2.17	-70.83
CCC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028801487	0	58	0.0	-64.57	405.16	5.58	-58.99
CCC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028801487	1	58	0.0	-64.57	405.16	5.58	-58.99
CN1CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)CC1	REAL300028801497	0	54	0.0	-68.56	396.26	2.62	-65.94
C[NH+]1CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)CC1	REAL300028801497	1	54	0.0	-68.56	396.26	2.62	-65.94
CC1CN(C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)O1	REAL300028801599	0	53	0.0	-87.10	384.28	3.65	-83.45
CC1C[N@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)O1	REAL300028801599	1	53	0.0	-68.08	383.74	4.00	-64.08
CC1C[N@@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)O1	REAL300028801599	1	53	0.0	-68.08	383.74	4.00	-64.08
CCC1CCC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C1	REAL300028801632	0	58	0.0	-68.23	417.52	6.29	-61.94
CCC1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C1	REAL300028801632	1	58	0.0	-68.23	417.52	6.29	-61.94
O=C(CC1([NH+]2CCCC2)CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028801669	0	56	0.0	-64.74	402.22	5.87	-58.87
C[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028801708	0	52	0.0	-63.64	377.15	4.72	-58.92
C[N@@H+]1CCC(=CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C1	REAL300028801831	0	50	0.0	-78.57	374.75	4.62	-73.95
C[N@H+]1CCC(=CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C1	REAL300028801831	1	50	0.0	-78.57	374.75	4.62	-73.95
O=C(CNC1=CC=[NH+]C=C1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028801836	0	48	0.0	-66.25	372.32	2.46	-63.79
CC[NH+]1CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)CC1	REAL300028801893	0	57	0.0	-67.02	413.32	3.34	-63.68
O=C(C=C1C[NH+]2CCC1CC2)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028801896	0	54	0.0	-69.82	391.89	5.56	-64.26
C[NH+](C)C1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)CCCC1	REAL300028801934	0	55	0.0	-66.19	381.96	4.63	-61.56
C[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)[C@@H]1CCC[C@H]1O	REAL300028801945	0	56	0.0	-64.70	406.65	2.46	-62.24
C[N@@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)[C@@H]1CCC[C@H]1O	REAL300028801945	1	56	0.0	-67.26	407.56	2.38	-64.88
CCC1C[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C1	REAL300028801951	1	52	0.0	-69.13	389.30	5.04	-64.09
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2([NH+]3CCCC3)CCC2)CC12CCC2	REAL300028801955	0	56	0.0	-61.09	394.33	5.17	-55.92
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028801969	0	49	0.0	-63.97	358.41	3.94	-60.03
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028801969	1	49	0.0	-66.54	354.98	3.69	-62.85
CC[N@@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028802000	0	56	0.0	-69.31	399.84	3.51	-65.80
NC1=NC2=CC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C4(CCC4)C3)=CC=C2N1	REAL300028802090	0	49	0.0	-65.18	378.31	4.04	-61.14
NC1=[NH+]C2=CC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C4(CCC4)C3)=CC=C2N1	REAL300028802090	1	49	0.0	-65.18	378.31	4.04	-61.14
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C1	REAL300028802128	0	52	0.0	-68.09	385.61	4.89	-63.20
C[NH+](C)C1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)CC1	REAL300028802143	0	58	0.0	-64.11	405.05	5.59	-58.52
C[NH+](C)CCC1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)CC1	REAL300028802144	0	55	0.0	-67.89	409.07	5.55	-62.34
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)CC1	REAL300028802146	0	58	0.0	-65.15	405.99	5.69	-59.46
C[N@@H+]1CC=CCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028802147	0	53	0.0	-70.39	387.60	5.24	-65.15
C[N@H+]1CC=CCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028802147	1	53	0.0	-70.39	387.60	5.24	-65.15
CC1=CC(C=CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)=CN=C1N	REAL300028802197	0	52	0.0	-66.97	400.63	4.18	-62.79
CC1=CC(C=CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)=C[NH+]=C1N	REAL300028802197	1	52	0.0	-66.97	400.63	4.18	-62.79
C[NH+](C)CCOCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028802210	0	52	0.0	-67.46	392.48	4.32	-63.14
CCCCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028802216	0	60	0.0	-71.19	441.65	6.64	-64.55
CCCCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028802216	1	60	0.0	-71.19	441.65	6.64	-64.55
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)O1	REAL300028802228	0	56	0.0	-68.01	412.35	5.02	-62.99
[NH2+]=C1SC=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028802253	0	45	0.0	-63.85	363.66	3.37	-60.48
C[C@@H](OCC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028802327	0	55	0.0	-65.47	409.20	4.77	-60.70
O=C(CC[NH+]1CCCCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028802371	0	58	0.0	-69.77	408.40	5.94	-63.83
O=C(C[NH+]1CCCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028802375	0	52	0.0	-67.77	378.33	5.06	-62.71
C[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C1	REAL300028802377	0	52	0.0	-70.11	381.65	4.66	-65.45
C[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C1	REAL300028802377	1	52	0.0	-65.82	373.26	4.78	-61.04
O=C(C[NH+]1CCC(CO)CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028802378	0	56	0.0	-70.14	410.01	2.36	-67.78
O=C(C[NH+]1CCCCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028802381	0	55	0.0	-67.96	388.02	5.11	-62.85
CN1C=C[N+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)=C1	REAL300028802386	0	47	0.0	-65.82	367.83	6.70	-59.12
C[NH+](C)CC1=CC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)O1	REAL300028802404	1	52	0.0	-80.43	397.26	4.73	-75.70
C[NH+](C)CC1=CC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C=N1	REAL300028802410	0	54	0.0	-80.19	410.36	4.39	-75.80
O=C(C[NH+]1CCC(O)CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028802424	1	53	0.0	-72.55	389.42	1.71	-70.84
C[N@@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)C1CC1	REAL300028802429	1	49	0.0	-66.05	366.00	4.60	-61.45
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)N1CC[NH+](C)CC1	REAL300028802431	1	57	0.0	-67.88	404.43	2.72	-65.16
O=C(CC[N@@H+]1CCC(F)C1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028802434	1	52	0.0	-73.85	391.04	4.89	-68.96
COC1C[N@@H+](C)C(C)(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C1	REAL300028802445	1	56	0.0	-64.14	398.19	2.54	-61.60
CC(CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)C[NH+](C)C	REAL300028802465	0	54	0.0	-69.76	394.23	5.13	-64.63
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC[N@@H+]3CCOCC23)CC12CCC2	REAL300028802481	0	54	0.0	-70.46	390.44	3.28	-67.18
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC[N@H+]3CCOCC23)CC12CCC2	REAL300028802481	1	54	0.0	-66.35	385.79	3.29	-63.06
CC1=[NH+]C=C2C=CC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C4(CCC4)C3)=CN21	REAL300028802486	0	50	0.0	-63.26	393.08	6.21	-57.05
CN1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028802503	0	53	0.0	-73.25	387.22	2.96	-70.29
C[N@@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028802503	1	53	0.0	-66.21	379.74	2.91	-63.30
C[N@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028802503	1	53	0.0	-73.25	387.22	2.96	-70.29
CC[NH+]1CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)CC1	REAL300028802511	0	57	0.0	-67.02	413.32	3.34	-63.68
CC1=CC(N)=[NH+]C=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028802566	1	48	0.0	-64.90	371.07	2.39	-62.51
NC1=CC=C(CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C=[NH+]1	REAL300028802569	0	51	0.0	-65.97	396.06	3.62	-62.35
CC1(O)CC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C1	REAL300028802610	1	53	0.0	-67.94	393.06	1.51	-66.43
C[NH+]1CC(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C1	REAL300028802645	0	49	0.0	-69.41	368.40	3.94	-65.47
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC[N@H+]2C2CCCC2)CC12CCC2	REAL300028802650	1	56	0.0	-65.68	400.59	5.56	-60.12
C[NH+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028802658	0	45	0.0	-69.21	336.60	3.19	-66.02
C[N@H+](CCO)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028802687	0	52	0.0	-69.14	387.05	1.25	-67.89
C[N@@H+](CCO)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028802687	1	52	0.0	-68.96	386.83	1.18	-67.78
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)[NH+](C)C	REAL300028802688	0	48	0.0	-66.00	353.60	3.59	-62.41
C[N@@H+]1CCCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028802710	0	55	0.0	-69.65	396.31	5.42	-64.23
C[N@H+]1CCCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028802710	1	55	0.0	-69.63	395.53	5.40	-64.23
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C4(CCC4)C3)C=CN2C=[NH+]1	REAL300028802732	1	50	0.0	-66.71	393.70	7.04	-59.67
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)[NH+]1CC(C)C1	REAL300028802733	0	52	0.0	-64.81	383.11	4.61	-60.20
CC1CCN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028802737	0	49	0.0	-66.06	362.81	3.90	-62.16
CC1CC[N@@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028802737	1	49	0.0	-66.87	367.85	4.24	-62.63
CC1CC[N@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028802737	1	49	0.0	-66.06	362.81	3.90	-62.16
C[NH+](C)CC=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028802751	0	49	0.0	-79.61	372.66	4.40	-75.21
CC1(C)C[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C1	REAL300028802764	1	52	0.0	-68.35	387.58	4.70	-63.65
CC1=C(C)[NH+]=C(CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)N1	REAL300028802783	1	53	0.0	-62.95	408.24	4.45	-58.50
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C4(CCC4)C3)C=CN2C=[NH+]1	REAL300028802794	1	50	0.0	-66.71	393.70	7.04	-59.67
C[NH+](C)CCSCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028802804	0	52	0.0	-71.45	403.50	5.22	-66.23
O=C(C[N@@H+]1CCCC1CO)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028802830	1	53	0.0	-66.86	389.70	1.73	-65.13
CC[NH+](CC)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028802834	0	51	0.0	-66.34	372.15	4.47	-61.87
C[N@@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)C1CCSC1	REAL300028802845	1	53	0.0	-73.99	395.97	5.41	-68.58
O=C(C[NH+]1CCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028802847	1	46	0.0	-68.59	347.40	3.55	-65.04
CC[NH+](CC)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028802898	0	54	0.0	-68.23	393.90	5.11	-63.12
C[NH+](C)CC1=CNC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)=C1	REAL300028802965	0	53	0.0	-78.16	399.68	4.62	-73.54
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)[NH+]1CCC(O)CC1	REAL300028802984	0	56	0.0	-67.39	397.17	1.70	-65.69
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC3COCC[N@@H+]3C2)CC12CCC2	REAL300028802990	0	54	0.0	-69.25	390.80	3.31	-65.94
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC3COCC[N@H+]3C2)CC12CCC2	REAL300028802990	1	54	0.0	-69.25	389.85	3.28	-65.97
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)[NH+]1CCC1	REAL300028803005	1	49	0.0	-65.15	354.85	3.64	-61.51
CCC(CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)C[NH+](C)C	REAL300028803012	0	57	0.0	-70.11	408.52	5.85	-64.26
NC1=CC=C(C=CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C=[NH+]1	REAL300028803019	0	49	0.0	-68.20	382.76	3.37	-64.83
C[NH+](C)CC(C)(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028803020	0	54	0.0	-65.01	373.46	4.15	-60.86
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028803084	0	52	0.0	-65.38	365.94	4.17	-61.21
C[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028803084	1	52	0.0	-63.62	376.94	4.73	-58.89
CC1CN2CC[N@@H+]1CC2C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028803099	0	55	0.0	-68.20	386.37	1.80	-66.40
CC1CN2CC[N@H+]1CC2C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028803099	1	55	0.0	-68.44	385.78	1.73	-66.71
C[NH+](C)CC(O)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028803120	0	52	0.0	-72.44	389.21	2.27	-70.17
C[NH+]1C2CCC1CC(C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C1)C2	REAL300028803123	0	56	0.0	-66.93	395.95	5.27	-61.66
C=CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)[NH+](C)C	REAL300028803156	0	52	0.0	-65.18	377.68	4.60	-60.58
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC12CCC2	REAL300028803166	0	56	0.0	-66.37	399.34	5.67	-60.70
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC3CCCC[N@H+]3C2)CC12CCC2	REAL300028803166	1	56	0.0	-65.93	400.74	5.74	-60.19
C[NH+]1CCC(C)(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)CC1	REAL300028803177	0	55	0.0	-66.40	384.12	4.57	-61.83
C[NH+]1CCC(O)(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)CC1	REAL300028803179	0	56	0.0	-69.74	407.38	3.41	-66.33
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CC34CCC4)C=CN2C=[NH+]1	REAL300028803261	1	50	0.0	-73.39	387.94	6.82	-66.57
C[NH+](C)CCSCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300028803270	0	52	0.0	-76.62	404.17	5.20	-71.42
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC3COCC[N@@H+]3C2)C2(CCC2)C1	REAL300028803278	0	54	0.0	-73.96	391.62	3.39	-70.57
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC3COCC[N@H+]3C2)C2(CCC2)C1	REAL300028803278	1	54	0.0	-75.88	391.18	3.29	-72.59
C[N@@H+]1CCCC1C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028803443	0	53	0.0	-69.78	384.25	3.13	-66.65
C[N@H+]1CCCC1C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028803443	1	53	0.0	-65.61	387.40	3.58	-62.03
C[N@@H+]1CCOC(C(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300028803467	1	54	0.0	-93.91	398.66	2.85	-91.06
C[N@H+]1CCOC(C(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300028803467	1	54	0.0	-80.06	397.48	2.95	-77.11
CC1=[NH+]C=CN1CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028803607	1	51	0.0	-66.50	393.74	4.19	-62.31
C[C@@H]1[C@H](C(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300028803627	0	56	0.0	-69.25	395.17	3.55	-65.70
C[C@@H]1[C@H](C(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300028803627	1	56	0.0	-77.52	407.56	3.95	-73.57
C[NH+](C)C1(C(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCC1	REAL300028803648	0	56	0.0	-76.54	391.80	3.40	-73.14
CC(C)[C@@H](C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300028803650	0	58	0.0	-75.20	408.95	4.34	-70.86
C[N@H+](CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300028803661	0	56	0.0	-66.43	410.94	4.72	-61.71
C[N@@H+](CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300028803661	1	56	0.0	-66.92	411.46	4.58	-62.34
C[NH+]1CCC(C(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300028803688	0	56	0.0	-70.69	407.96	4.26	-66.43
C[N@@H+]1CCCCC1C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028803695	0	56	0.0	-63.14	404.69	4.14	-59.00
C[N@H+]1CCCCC1C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028803695	1	56	0.0	-72.11	406.40	4.29	-67.82
CC1=C[NH+]=CN1CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028803713	1	51	0.0	-69.49	394.49	5.08	-64.41
C[N@@H+]1CCC(CC(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300028803723	0	56	0.0	-78.30	412.80	4.46	-73.84
C[N@H+]1CCC(CC(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300028803723	1	56	0.0	-71.62	411.03	4.37	-67.25
CCC(C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300028803726	0	55	0.0	-74.91	397.15	3.87	-71.04
C[NH+](C)CCCCC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028803741	0	58	0.0	-72.06	430.70	4.79	-67.27
CC(C)C(C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300028803746	0	58	0.0	-75.68	411.70	4.52	-71.16
CCC[N@H+](C)CCC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028803747	0	58	0.0	-78.58	428.14	4.88	-73.70
CCC[N@@H+](C)CCC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028803747	1	58	0.0	-78.67	428.14	4.86	-73.81
CCC[N@H+](C)CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028803748	0	55	0.0	-69.29	404.57	4.02	-65.27
CCC[N@@H+](C)CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028803748	1	55	0.0	-69.16	404.60	4.02	-65.14
C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028803763	0	53	0.0	-74.42	384.81	3.35	-71.07
C[N@H+]1CCC[C@@H]1C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028803763	1	53	0.0	-65.59	387.49	3.58	-62.01
CC[NH+](CC)CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028803775	0	55	0.0	-74.04	397.70	3.92	-70.12
C[NH+](C)CC1(C(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300028803830	0	56	0.0	-73.11	412.43	4.14	-68.97
C[NH+]1CCC(C(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300028803856	0	56	0.0	-70.69	407.96	4.26	-66.43
CC(C)[C@H](C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300028803871	0	58	0.0	-74.09	402.22	4.05	-70.04
CC[N@H+](C)CCC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028803906	0	55	0.0	-78.04	406.66	4.10	-73.94
CC[N@@H+](C)CCC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028803906	1	55	0.0	-70.74	405.44	3.89	-66.85
CC1CCC[N@@H+]1CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028803917	0	56	0.0	-72.91	405.06	4.13	-68.78
CC1CCC[N@H+]1CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028803917	1	56	0.0	-73.62	411.57	4.50	-69.12
CC1CC[N@H+](CC(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300028803918	0	56	0.0	-68.11	410.00	4.40	-63.71
CC1CC[N@@H+](CC(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300028803918	1	56	0.0	-67.91	410.63	4.27	-63.64
CC[C@@H](C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300028803921	0	55	0.0	-67.40	390.55	3.50	-63.90
C[NH+](C)CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028803960	0	49	0.0	-76.84	366.55	2.84	-74.00
CN1C=C[N+](CC(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300028803961	0	51	0.0	-73.44	397.50	6.23	-67.21
C[N@@H+]1CCCC(C(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300028803964	0	56	0.0	-74.91	401.05	4.11	-70.80
C[N@H+]1CCCC(C(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300028803964	1	56	0.0	-65.97	399.93	4.17	-61.80
CC(C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCC1	REAL300028803972	1	53	0.0	-69.49	384.13	3.16	-66.33
C[NH+](C)CC(C)(C)C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028803975	0	58	0.0	-77.75	403.52	3.82	-73.93
C[N@H+](CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300028803982	0	53	0.0	-73.16	395.81	4.24	-68.92
C[N@@H+](CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300028803982	1	53	0.0	-74.47	395.96	4.24	-70.23
C[NH+]1CC(CC(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300028803993	0	53	0.0	-76.65	397.84	3.71	-72.94
C[C@@H](C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300028804006	0	52	0.0	-68.81	380.34	2.94	-65.87
C[N@H+](CCO)CCC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028804046	0	56	0.0	-77.93	417.00	0.90	-77.03
C[N@@H+](CCO)CCC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028804046	1	56	0.0	-77.07	417.03	0.84	-76.23
C[C@@H](C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300028804047	0	52	0.0	-68.81	380.34	2.94	-65.87
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028804050	0	56	0.0	-74.46	398.82	3.93	-70.53
C[N@H+]1CCCC[C@@H]1C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028804050	1	56	0.0	-63.56	405.58	4.27	-59.29
O=C(C[NH+]1CCC1)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028804077	1	50	0.0	-76.83	376.37	3.15	-73.68
C[N@@H+]1CCC(=CC(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300028804087	0	54	0.0	-81.46	403.06	4.15	-77.31
C[N@H+]1CCC(=CC(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300028804087	1	54	0.0	-82.22	403.55	4.43	-77.79
C[NH+](C)CCOCC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028804097	0	56	0.0	-75.81	422.14	3.97	-71.84
C[C@H](C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300028804108	0	52	0.0	-66.61	381.13	2.99	-63.62
CC1C[NH+](CC(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300028804125	1	53	0.0	-76.87	397.85	3.92	-72.95
C[N@H+](CCO)CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028804138	1	53	0.0	-68.96	393.45	0.04	-68.92
C[N@@H+](CCO)CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028804138	1	53	0.0	-69.54	393.41	0.05	-69.49
CC(CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300028804150	0	58	0.0	-77.57	423.74	4.89	-72.68
CC[N@H+](C)CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028804152	0	52	0.0	-68.93	383.10	3.28	-65.65
CC[N@@H+](C)CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028804152	1	52	0.0	-68.62	382.45	3.40	-65.22
CC[N@H+](CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300028804162	0	56	0.0	-72.94	414.74	4.74	-68.20
CC[N@@H+](CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300028804162	1	56	0.0	-67.20	406.67	4.52	-62.68
CC[NH+](CC)CCC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028804168	0	58	0.0	-77.15	420.23	4.51	-72.64
CC1(C)C[NH+](CC(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300028804176	1	56	0.0	-68.95	415.22	4.33	-64.62
C[NH+](C)CC=CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028804184	0	53	0.0	-83.04	401.35	4.06	-78.98
COCC[N@H+](C)CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028804193	1	56	0.0	-69.84	415.65	2.46	-67.38
COCC[N@@H+](C)CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028804193	1	56	0.0	-69.06	415.69	2.44	-66.62
CC(CCC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300028804203	0	58	0.0	-80.73	420.24	4.57	-76.16
CC[N@@H+]1CCC1C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028804208	1	53	0.0	-74.08	388.31	3.32	-70.76
CC[N@H+]1CCC1C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028804208	1	53	0.0	-74.07	389.35	3.43	-70.64
C=CCC(C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300028804233	0	56	0.0	-73.80	408.10	4.24	-69.56
O=C(C[NH+]1CC2CC2C1)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028804241	0	54	0.0	-68.44	400.18	4.62	-63.82
CCCC(C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300028804250	0	58	0.0	-74.68	416.25	4.49	-70.19
C[NH+](C)C(C)(C)C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028804252	0	55	0.0	-71.42	387.26	3.37	-68.05
C[N@@H+]1CCCCC1C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028804263	0	56	0.0	-63.14	404.69	4.14	-59.00
C[N@H+]1CCCCC1C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028804263	1	56	0.0	-72.11	406.40	4.29	-67.82
C[NH+](C)C1(C(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300028804301	0	53	0.0	-64.77	380.43	2.94	-61.83
O=C(CC[NH+]1CCCC1)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028804302	0	56	0.0	-70.04	413.68	4.39	-65.65
C[N@@H+]1CC2CC1(C(=O)N1CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300028804313	0	54	0.0	-69.64	392.21	3.78	-65.86
C[N@H+]1CC2CC1(C(=O)N1CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300028804313	1	54	0.0	-70.89	391.92	3.91	-66.98
CC(C[NH+](C)C)C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028804349	0	55	0.0	-76.13	404.62	3.97	-72.16
CC(C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CC(C)C1	REAL300028804372	1	56	0.0	-68.19	414.34	4.17	-64.02
CC1CC[N@@H+]1CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028804373	1	53	0.0	-75.27	397.83	3.91	-71.36
CC1CC[N@H+]1CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028804373	1	53	0.0	-74.22	392.27	3.63	-70.59
C[NH+](C)CC(O)CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028804375	0	56	0.0	-73.98	417.96	1.69	-72.29
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300028804405	0	56	0.0	-77.00	415.12	4.46	-72.54
CC(CC[NH+](C)C)C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028804406	0	58	0.0	-76.14	426.29	4.61	-71.53
NC(=[NH2+])SCC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028804427	0	47	0.0	-77.42	374.47	-0.12	-77.54
CCC1C[NH+](CC(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300028804489	1	56	0.0	-77.66	419.22	4.68	-72.98
C[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028804493	0	53	0.0	-66.50	389.23	3.44	-63.06
C[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028804493	1	53	0.0	-75.53	384.28	3.24	-72.29
O=C(C[NH+]1CCCCC1)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028804500	0	56	0.0	-68.36	407.07	4.48	-63.88
CC1C(C(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300028804504	0	56	0.0	-67.72	396.25	3.53	-64.19
CC1C(C(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300028804504	1	56	0.0	-71.17	401.81	3.61	-67.56
C[N@@H+]1CCCC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300028804684	0	53	0.0	-68.18	387.92	3.56	-64.62
C[N@H+]1CCCC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300028804684	1	53	0.0	-70.26	384.85	3.28	-66.98
C[N@@H+]1CCOC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)CCO3)C2)C1	REAL300028804710	1	54	0.0	-58.84	388.64	2.69	-56.15
C[N@H+]1CCOC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)CCO3)C2)C1	REAL300028804710	1	54	0.0	-86.32	398.01	2.98	-83.34
C[N@@H+]1CCC(CC(=O)N2CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028804861	0	56	0.0	-74.40	413.06	4.52	-69.88
C[N@H+]1CCC(CC(=O)N2CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028804861	1	56	0.0	-74.26	412.92	4.51	-69.75
CCC(C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1)[NH+](C)C	REAL300028804864	0	55	0.0	-66.77	393.18	3.67	-63.10
C[NH+](C)CCCCC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028804875	0	58	0.0	-76.12	430.57	4.94	-71.18
CC(C)C(C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1)[NH+](C)C	REAL300028804881	0	58	0.0	-67.78	406.73	4.18	-63.60
CCC[N@H+](C)CCC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028804882	0	58	0.0	-74.64	426.79	4.75	-69.89
CCC[N@@H+](C)CCC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028804882	1	58	0.0	-74.62	426.87	4.78	-69.84
CCC[N@H+](C)CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028804883	0	55	0.0	-71.45	405.80	4.30	-67.15
CCC[N@@H+](C)CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028804883	1	55	0.0	-70.30	404.12	4.05	-66.25
C[NH+](C)CC1(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)CCO3)C2)CC1	REAL300028804922	0	56	0.0	-74.07	413.39	4.21	-69.86
CC[N@H+](C)CCC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028804929	0	55	0.0	-73.93	405.30	4.01	-69.92
CC[N@@H+](C)CCC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028804929	1	55	0.0	-73.87	405.38	4.04	-69.83
C[NH+]1CCC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)CCO3)C2)CC1	REAL300028804955	0	56	0.0	-78.63	409.40	4.21	-74.42
CC(C)[C@H](C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1)[NH+](C)C	REAL300028804970	0	58	0.0	-69.72	406.57	4.25	-65.47
C[NH+](C)C1(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)CCO3)C2)CCC1	REAL300028804998	0	56	0.0	-73.90	388.67	3.56	-70.34
CC1CCC[N@@H+]1CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028805023	0	56	0.0	-67.78	405.18	4.23	-63.55
CC1CCC[N@H+]1CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028805023	1	56	0.0	-67.59	410.04	4.41	-63.18
CC(C)[C@@H](C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1)[NH+](C)C	REAL300028805037	0	58	0.0	-68.18	408.90	4.38	-63.80
CC1CC[N@H+](CC(=O)N2CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028805045	0	56	0.0	-70.10	411.56	4.42	-65.68
CC1CC[N@@H+](CC(=O)N2CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028805045	1	56	0.0	-69.30	410.23	4.33	-64.97
CC[C@@H](C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1)[NH+](C)C	REAL300028805048	0	55	0.0	-68.68	395.38	3.74	-64.94
CC1=[NH+]C=CN1CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028805090	1	51	0.0	-68.02	394.97	4.46	-63.56
CC1=C[NH+]=CN1CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028805109	1	51	0.0	-69.40	394.67	4.98	-64.42
C[C@@H]1[C@H](C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)CCO3)C2)CC[N@@H+]1C	REAL300028805110	0	56	0.0	-74.86	399.58	4.09	-70.77
C[C@@H]1[C@H](C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)CCO3)C2)CC[N@H+]1C	REAL300028805110	1	56	0.0	-73.77	407.55	4.00	-69.77
C[N@H+](CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1CCC1	REAL300028805143	0	56	0.0	-67.66	411.01	4.62	-63.04
C[N@@H+](CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1CCC1	REAL300028805143	1	56	0.0	-69.19	412.77	4.85	-64.34
C[NH+]1CCC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)CCO3)C2)CC1	REAL300028805150	0	56	0.0	-78.63	409.40	4.21	-74.42
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300028805163	0	53	0.0	-69.39	385.09	3.27	-66.12
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300028805163	1	53	0.0	-67.51	389.76	3.61	-63.90
C[N@@H+]1CCCCC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300028805207	0	56	0.0	-68.45	394.40	3.85	-64.60
C[N@H+]1CCCCC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300028805207	1	56	0.0	-68.58	394.64	3.73	-64.85
CC1C(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)CCO3)C2)CC[N@@H+]1C	REAL300028805236	0	56	0.0	-71.01	407.44	3.97	-67.04
CC1C(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)CCO3)C2)CC[N@H+]1C	REAL300028805236	1	56	0.0	-75.26	396.40	4.16	-71.10
C[C@@H](C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1)[NH+](C)C	REAL300028805278	0	52	0.0	-69.49	382.98	3.11	-66.38
O=C(CC[NH+]1CCCC1)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028805296	0	56	0.0	-74.02	412.02	4.44	-69.58
C[N@H+](CCO)CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028805301	1	53	0.0	-71.36	392.98	0.08	-71.28
C[N@@H+](CCO)CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028805301	1	53	0.0	-71.76	394.30	0.34	-71.42
CC1C[NH+](CC(=O)N2CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028805352	1	53	0.0	-70.97	396.46	3.89	-67.08
CC[N@H+](C)CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028805387	0	52	0.0	-71.12	384.30	3.56	-67.56
CC[N@@H+](C)CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028805387	1	52	0.0	-70.30	382.96	3.44	-66.86
COCC[N@H+](C)CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028805440	1	56	0.0	-71.65	416.55	2.75	-68.90
COCC[N@@H+](C)CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028805440	1	56	0.0	-71.68	415.23	2.48	-69.20
CC(CCC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300028805442	0	58	0.0	-78.11	418.91	4.52	-73.59
CC[N@H+](CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1CC1	REAL300028805447	0	56	0.0	-66.83	413.88	4.80	-62.03
CC[N@@H+](CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1CC1	REAL300028805447	1	56	0.0	-68.99	406.96	4.38	-64.61
C[N@@H+]1CC2CC1(C(=O)N1CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)CCO3)C1)C2	REAL300028805460	0	54	0.0	-74.63	391.58	3.92	-70.71
C[N@H+]1CC2CC1(C(=O)N1CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)CCO3)C1)C2	REAL300028805460	1	54	0.0	-74.32	391.60	3.57	-70.75
CC(C[NH+](C)C)C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300028805469	0	55	0.0	-80.42	402.17	3.92	-76.50
C[NH+](C)C1(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)CCO3)C2)CC1	REAL300028805475	0	53	0.0	-74.76	388.07	3.18	-71.58
C[C@H](C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1)[NH+](C)C	REAL300028805486	0	52	0.0	-69.65	384.12	3.25	-66.40
CC[N@@H+]1CCC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300028805489	1	53	0.0	-68.37	388.36	3.29	-65.08
CC[N@H+]1CCC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300028805489	1	53	0.0	-68.23	389.74	3.49	-64.74
NC1=CC=[NH+]C=C1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300028805505	0	49	0.0	-72.27	376.23	0.79	-71.48
CCCC(C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1)[NH+](C)C	REAL300028805509	0	58	0.0	-67.42	414.71	4.44	-62.98
C[NH+](C)C(C)(C)C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300028805512	0	55	0.0	-74.06	385.36	3.20	-70.86
CC(CC[NH+](C)C)C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300028805521	0	58	0.0	-82.18	423.76	4.52	-77.66
O=C(C[NH+]1CC2CC2C1)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028805584	0	54	0.0	-70.70	400.37	4.52	-66.18
C[N@@H+]1CCCCC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300028805595	0	56	0.0	-68.45	394.40	3.85	-64.60
C[N@H+]1CCCCC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300028805595	1	56	0.0	-68.58	394.64	3.73	-64.85
C[N@@H+]1CCC(=CC(=O)N2CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028805623	0	54	0.0	-75.74	404.33	4.38	-71.36
C[N@H+]1CCC(=CC(=O)N2CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028805623	1	54	0.0	-76.36	402.23	4.26	-72.10
CCC1C[NH+](CC(=O)N2CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028805647	1	56	0.0	-72.06	417.67	4.58	-67.48
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300028805652	0	53	0.0	-69.21	391.52	3.71	-65.50
C[N@H+]1CCC[C@H]1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300028805652	1	53	0.0	-69.69	383.86	3.31	-66.38
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)CCO3)C2)C1	REAL300028805696	0	56	0.0	-71.92	415.42	4.59	-67.33
C[NH+](C)CCOCC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028805714	0	56	0.0	-71.88	421.15	3.89	-67.99
O=C(C[NH+]1CCCCC1)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028805749	0	56	0.0	-70.23	406.66	4.50	-65.73
C[N@@H+]1CCCC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)CCO3)C2)C1	REAL300028805750	0	56	0.0	-73.47	406.83	4.16	-69.31
C[N@H+]1CCCC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)CCO3)C2)C1	REAL300028805750	1	56	0.0	-76.14	409.11	4.23	-71.91
CN1C=C[N+](CC(=O)N2CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)=C1	REAL300028805751	0	51	0.0	-67.87	396.50	6.29	-61.58
C[N@H+](CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1CC1	REAL300028805761	0	53	0.0	-67.20	394.47	4.16	-63.04
C[N@@H+](CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1CC1	REAL300028805761	1	53	0.0	-67.95	394.68	4.19	-63.76
CC(CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C[NH+](C)C	REAL300028805769	0	58	0.0	-74.54	422.47	4.84	-69.70
C[NH+]1CC(CC(=O)N2CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028805820	0	53	0.0	-73.43	396.50	3.63	-69.80
C[NH+](C)CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028805827	0	49	0.0	-70.91	365.26	2.77	-68.14
C[N@H+](CCO)CCC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028805837	0	56	0.0	-73.59	415.71	0.84	-72.75
C[N@@H+](CCO)CCC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028805837	1	56	0.0	-72.89	415.78	0.79	-72.10
C[C@@H](C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1)[NH+](C)C	REAL300028805838	0	52	0.0	-69.49	382.98	3.11	-66.38
CC(C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1)[NH+]1CC(C)C1	REAL300028805852	1	56	0.0	-68.01	410.99	4.08	-63.93
CC1CC[N@@H+]1CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028805853	1	53	0.0	-69.74	396.49	3.84	-65.90
CC1CC[N@H+]1CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028805853	1	53	0.0	-68.81	391.95	3.56	-65.25
C[NH+](C)CC=CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028805855	0	53	0.0	-77.42	399.40	3.88	-73.54
CC1(C)C[NH+](CC(=O)N2CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300028805859	1	56	0.0	-71.04	415.96	4.44	-66.60
CC[NH+](CC)CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028805876	0	55	0.0	-68.45	396.47	3.73	-64.72
O=C(C[NH+]1CCC1)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028805881	1	50	0.0	-71.10	375.28	3.17	-67.93
CC[NH+](CC)CCC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028805901	0	58	0.0	-73.35	418.88	4.44	-68.91
CC(C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1)[NH+]1CCC1	REAL300028805932	1	53	0.0	-52.48	387.00	3.43	-49.05
C[NH+](C)CC(C)(C)C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300028805936	0	58	0.0	-65.22	402.98	3.85	-61.37
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300028805957	0	56	0.0	-69.72	397.50	3.94	-65.78
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300028805957	1	56	0.0	-66.77	405.27	4.37	-62.40
C[NH+](C)CC(O)CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028805967	0	56	0.0	-78.35	417.89	1.84	-76.51
C=CCC(C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1)[NH+](C)C	REAL300028805979	0	56	0.0	-65.89	407.12	4.19	-61.70
C[N@@H+]1CCCC1C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028806180	0	52	0.0	-70.36	388.62	4.21	-66.15
C[N@H+]1CCCC1C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028806180	1	52	0.0	-73.16	381.93	3.83	-69.33
CC(C)[N@@H+]1CCCC1C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028806360	0	58	0.0	-69.14	421.13	5.31	-63.83
CC(C)[N@H+]1CCCC1C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028806360	1	58	0.0	-71.83	413.81	5.35	-66.48
CC1=[NH+]C=CN1CC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028806393	1	50	0.0	-69.50	386.90	4.75	-64.75
O=C(NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1C[NH+]2CCC1CC2	REAL300028806421	0	56	0.0	-76.76	398.29	4.79	-71.97
C[C@@H]1[C@H](C(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@@H+]1C	REAL300028806455	0	55	0.0	-76.37	392.98	4.03	-72.34
C[C@@H]1[C@H](C(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@H+]1C	REAL300028806455	1	55	0.0	-75.60	399.73	4.29	-71.31
CC[C@@H]1[C@@H](C(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@@H+]1C	REAL300028806457	0	58	0.0	-73.71	413.74	4.69	-69.02
CC[C@@H]1[C@@H](C(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@H+]1C	REAL300028806457	1	58	0.0	-71.79	423.41	5.52	-66.27
CC[N@@H+]1CCOC(C(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028806464	1	56	0.0	-83.26	417.17	4.11	-79.15
CC[N@H+]1CCOC(C(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028806464	1	56	0.0	-81.88	417.14	4.10	-77.78
CC[NH+](CC)CC(F)C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028806492	0	57	0.0	-74.32	416.14	4.75	-69.57
CC1CCC(C)[NH+]1CC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028806528	0	58	0.0	-69.44	414.45	4.94	-64.50
O=C(CCC[NH+]1CCCC1)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028806531	0	58	0.0	-73.57	427.31	5.69	-67.88
O=C(CC[NH+]1CCCCC1)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028806534	0	58	0.0	-74.23	421.48	5.58	-68.65
CC[N@@H+]1CCCCC1C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028806537	0	58	0.0	-70.01	407.53	5.10	-64.91
CC[N@H+]1CCCCC1C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028806537	1	58	0.0	-70.49	412.63	5.37	-65.12
C[NH+](C)C1(C(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CCC1	REAL300028806548	0	55	0.0	-77.02	390.61	4.14	-72.88
CC(C)[C@@H](C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300028806555	0	57	0.0	-70.42	408.41	5.15	-65.27
C[N@H+](CC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCC1	REAL300028806580	0	55	0.0	-71.56	403.56	5.13	-66.43
C[N@@H+](CC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCC1	REAL300028806580	1	55	0.0	-71.99	403.71	5.13	-66.86
C#CC[N@H+]1CCC[C@H]1C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028806656	1	54	0.0	-71.52	403.77	4.78	-66.74
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028806656	1	54	0.0	-71.61	409.99	5.43	-66.18
C[N@@H+]1CCCC1CCC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028806661	0	58	0.0	-75.81	429.57	5.69	-70.12
C[N@H+]1CCCC1CCC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028806661	1	58	0.0	-72.16	419.41	5.17	-66.99
C[NH+]1CCC(C(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300028806681	0	55	0.0	-77.65	402.07	4.82	-72.83
C[N@@H+]1CCCCC1C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028806720	0	55	0.0	-70.47	399.01	4.63	-65.84
C[N@H+]1CCCCC1C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028806720	1	55	0.0	-69.30	399.02	4.63	-64.67
O=C(NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CN2C=[NH+]C=C2C=C1	REAL300028806790	0	50	0.0	-73.70	387.62	6.65	-67.05
O=C(CC[NH+]1CCOCC1)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028806797	1	56	0.0	-77.72	412.75	3.15	-74.57
CC1=C[NH+]=CN1CC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028806810	1	50	0.0	-72.35	392.10	5.65	-66.70
O=C(NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C12CCC[NH+]1CCC2	REAL300028806831	0	56	0.0	-70.69	404.96	5.12	-65.57
C[N@@H+]1CCC(CC(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028806842	0	55	0.0	-75.06	409.14	4.87	-70.19
C[N@H+]1CCC(CC(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028806842	1	55	0.0	-74.61	404.49	4.75	-69.86
CN(C)C1=CC=[NH+]C=C1C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028806848	0	54	0.0	-80.28	413.05	4.12	-76.16
CCC(C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300028806850	0	54	0.0	-71.38	390.57	4.18	-67.20
O=C(NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC2=C[NH+]=CN2C=C1	REAL300028806877	1	50	0.0	-77.85	387.89	6.67	-71.18
C[NH+](C)CCCCC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028806909	0	57	0.0	-74.92	422.84	5.29	-69.63
CC(C)C(C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300028806923	0	57	0.0	-70.43	408.40	5.14	-65.29
CCC[N@H+](C)CCC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028806924	0	57	0.0	-75.54	419.08	5.10	-70.44
CCC[N@@H+](C)CCC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028806924	1	57	0.0	-75.56	419.07	5.10	-70.46
CCC[N@H+](C)CC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028806928	0	54	0.0	-74.33	401.56	4.72	-69.61
CCC[N@@H+](C)CC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028806928	1	54	0.0	-73.94	396.70	4.56	-69.38
O=C(NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C12CC[N@H+](C1)CCC2	REAL300028806943	0	56	0.0	-74.70	403.53	4.38	-70.32
O=C(NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C12CC[N@@H+](C1)CCC2	REAL300028806943	1	56	0.0	-74.53	403.78	4.41	-70.12
C[N@@H+]1CCC[C@@H]1C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028806969	0	52	0.0	-72.91	377.18	3.69	-69.22
C[N@H+]1CCC[C@@H]1C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028806969	1	52	0.0	-71.01	388.25	4.25	-66.76
CC[NH+](CC)CC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807004	0	54	0.0	-71.58	392.86	4.39	-67.19
CC1CC[NH+](CC(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300028807065	0	58	0.0	-74.23	420.04	5.63	-68.60
C[NH+](C)CC1(C(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300028807087	0	55	0.0	-74.65	405.49	5.26	-69.39
C[NH+]1CCC(C(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300028807140	0	55	0.0	-77.65	402.07	4.82	-72.83
CC(C)[C@H](C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300028807156	0	57	0.0	-71.64	405.09	5.29	-66.35
CCC(C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](CC)CC	REAL300028807184	0	60	0.0	-67.86	427.75	5.61	-62.25
CC[N@H+](C)CCC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807225	0	54	0.0	-74.83	397.56	4.37	-70.46
CC[N@@H+](C)CCC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807225	1	54	0.0	-74.79	397.57	4.35	-70.44
CC1CCC[N@@H+]1CC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807255	0	55	0.0	-70.88	400.87	4.59	-66.29
CC1CCC[N@H+]1CC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807255	1	55	0.0	-71.61	407.13	4.95	-66.66
CC1CC[N@H+](CC(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028807257	0	55	0.0	-73.61	407.48	4.88	-68.73
CC1CC[N@@H+](CC(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028807257	1	55	0.0	-73.16	402.80	4.89	-68.27
CC1(C)CC[N@H+](CC(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028807261	0	58	0.0	-73.71	426.99	5.43	-68.28
CC1(C)CC[N@@H+](CC(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028807261	1	58	0.0	-73.03	422.82	5.29	-67.74
C[N@H+](CC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)CC(C)(C)C	REAL300028807262	0	60	0.0	-74.52	429.70	5.69	-68.83
C[N@@H+](CC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)CC(C)(C)C	REAL300028807262	1	60	0.0	-73.48	427.26	5.61	-67.87
CC[C@@H](C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300028807270	0	54	0.0	-69.82	385.47	4.15	-65.67
C[NH+](C)CC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807374	0	48	0.0	-74.19	357.48	3.15	-71.04
O=C(C[NH+]1CCCCCC1)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807378	0	58	0.0	-73.17	408.43	5.19	-67.98
CN1C=C[N+](CC(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=C1	REAL300028807381	0	50	0.0	-70.70	388.70	6.65	-64.05
C[N@@H+]1CCCC(C(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028807386	0	55	0.0	-67.05	395.78	4.95	-62.10
C[N@H+]1CCCC(C(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028807386	1	55	0.0	-74.17	406.70	4.83	-69.34
O=C(NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCC[N@@H+]1C1CC1	REAL300028807391	0	56	0.0	-74.48	410.40	5.03	-69.45
O=C(NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCC[N@H+]1C1CC1	REAL300028807391	1	56	0.0	-68.03	409.70	5.41	-62.62
CC(C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+]1CCC1	REAL300028807407	1	52	0.0	-70.56	385.06	4.20	-66.36
CCC(CC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C[NH+](C)C	REAL300028807411	0	60	0.0	-75.03	428.19	5.55	-69.48
C[NH+](C)CC(C)(C)C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807416	0	57	0.0	-73.23	404.32	4.72	-68.51
O=C(C[NH+]1CCC(O)CC1)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807431	1	56	0.0	-78.21	410.37	1.54	-76.67
C[N@H+](CC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC1	REAL300028807432	0	52	0.0	-70.76	386.74	4.56	-66.20
C[N@@H+](CC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC1	REAL300028807432	1	52	0.0	-71.51	386.88	4.56	-66.95
C[NH+]1CC(CC(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028807448	0	52	0.0	-74.39	388.92	3.98	-70.41
CC(C)(C)[N@@H+]1CCC1C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807459	0	58	0.0	-70.93	407.07	4.30	-66.63
CC(C)(C)[N@H+]1CCC1C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807459	1	58	0.0	-70.43	423.79	5.02	-65.41
C[C@@H](C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300028807470	0	51	0.0	-71.79	380.14	3.73	-68.06
[NH2+]=C1SC=CN1CC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807529	0	48	0.0	-70.14	389.41	3.49	-66.65
C[N@H+](CCO)CCC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807536	0	55	0.0	-74.47	407.93	1.14	-73.33
C[N@@H+](CCO)CCC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807536	1	55	0.0	-74.12	407.80	1.16	-72.96
C[C@@H](C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300028807537	0	51	0.0	-71.79	380.14	3.73	-68.06
C[N@@H+]1CCCC[C@@H]1C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807541	0	55	0.0	-71.40	389.86	4.44	-66.96
C[N@H+]1CCCC[C@@H]1C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807541	1	55	0.0	-69.34	399.24	4.65	-64.69
O=C(C[NH+]1CCC1)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807591	1	49	0.0	-74.12	372.64	3.80	-70.32
C[N@@H+]1CCC(=CC(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028807610	0	53	0.0	-76.12	395.36	4.70	-71.42
C[N@H+]1CCC(=CC(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028807610	1	53	0.0	-76.29	399.83	4.76	-71.53
C[NH+](C)CCOCC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807633	0	55	0.0	-72.61	413.36	3.99	-68.62
C=CCC(C)(C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300028807647	0	58	0.0	-74.04	410.98	5.72	-68.32
C[S+](C)CCC(O)C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807651	0	54	0.0	-79.08	422.33	2.63	-76.45
C[N@@H+]1CC(O)CC1(C)C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807670	0	56	0.0	-76.51	410.07	1.74	-74.77
CC1CN(CC(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028807689	0	52	0.0	-74.51	392.42	4.48	-70.03
CC1C[NH+](CC(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028807689	1	52	0.0	-74.51	392.42	4.48	-70.03
CN(CCO)CC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807707	0	52	0.0	-74.56	385.55	0.58	-73.98
C[N@H+](CCO)CC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807707	1	52	0.0	-74.05	385.65	0.52	-73.53
C[N@@H+](CCO)CC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807707	1	52	0.0	-74.05	385.65	0.52	-73.53
CC[N@@H+]1CCCC(C(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028807727	0	58	0.0	-72.02	419.72	5.41	-66.61
CC[N@H+]1CCCC(C(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028807727	1	58	0.0	-72.02	419.72	5.41	-66.61
CC(CC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C[NH+](C)C	REAL300028807729	0	57	0.0	-74.41	414.67	5.15	-69.26
CC[N@H+](C)CC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807734	0	51	0.0	-73.93	380.17	3.99	-69.94
CC[N@H+](CC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC1	REAL300028807767	0	55	0.0	-70.89	403.58	5.07	-65.82
CC[NH+](CC)CCC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807777	0	57	0.0	-73.95	410.46	4.68	-69.27
CC1(C)CN(CC(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028807795	0	55	0.0	-74.34	412.82	4.90	-69.44
CC1(C)C[NH+](CC(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028807795	1	55	0.0	-74.34	412.82	4.90	-69.44
CC1(O)CC[N@H+](CC(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028807813	0	56	0.0	-74.35	413.67	1.55	-72.80
C[NH+](C)CC=CC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807817	0	52	0.0	-77.08	393.43	4.36	-72.72
CC(OCC[NH+](C)C)C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807826	0	58	0.0	-70.37	433.14	4.72	-65.65
C[NH+](C)CCOCCC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807832	0	58	0.0	-73.00	434.30	3.94	-69.06
COCCN(C)CC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807833	0	55	0.0	-74.56	412.72	3.11	-71.45
COCC[N@H+](C)CC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807833	1	55	0.0	-74.76	407.80	2.98	-71.78
COCC[N@@H+](C)CC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807833	1	55	0.0	-74.76	407.80	2.98	-71.78
C[NH+](C)C1(C(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CCCC1	REAL300028807853	0	58	0.0	-76.72	414.89	5.24	-71.48
CC(CCC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300028807855	0	57	0.0	-72.66	413.72	4.76	-67.90
CC[N@@H+]1CCC1C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807861	1	52	0.0	-72.80	389.15	4.10	-68.70
CC[N@H+]1CCC1C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807861	1	52	0.0	-71.89	386.88	3.94	-67.95
O=C(C[N@H+]1CCCC1CO)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807874	0	56	0.0	-73.57	411.74	1.33	-72.24
O=C(C[N@@H+]1CCCC1CO)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807874	1	56	0.0	-71.03	407.80	1.72	-69.31
C[NH+]1CCC(C)(C(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300028807896	0	58	0.0	-73.37	414.35	5.08	-68.29
C=CCC(C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300028807915	0	55	0.0	-73.21	408.98	4.93	-68.28
C[N@@H+]1CC(C)(C)CC1C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807922	0	58	0.0	-70.47	428.14	5.35	-65.12
C[N@H+]1CC(C)(C)CC1C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807922	1	58	0.0	-70.49	422.74	5.25	-65.24
C[NH+](C)CCCCCC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807924	0	60	0.0	-74.03	444.34	6.08	-67.95
O=C(C[NH+]1CC2CC2C1)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807929	0	53	0.0	-73.89	392.01	4.98	-68.91
CCCC(C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300028807945	0	57	0.0	-72.03	409.54	4.80	-67.23
C[NH+](C)C(C)(C)C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807948	0	54	0.0	-75.43	384.94	4.30	-71.13
C[N@@H+]1CCCCC1C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807974	0	55	0.0	-70.47	399.01	4.63	-65.84
C[N@H+]1CCCCC1C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807974	1	55	0.0	-69.30	399.02	4.63	-64.67
C[N@H+]1CC=C(CC(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300028807998	0	56	0.0	-71.95	421.25	5.54	-66.41
C[N@@H+]1CC=C(CC(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300028807998	1	56	0.0	-70.49	421.26	5.52	-64.97
O=C(C=CC[NH+]1CCCC1)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028808038	0	56	0.0	-75.63	424.61	5.73	-69.90
C[NH+](C)C1(C(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300028808069	0	52	0.0	-75.82	386.56	4.27	-71.55
O=C(CC[NH+]1CCCC1)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028808071	0	55	0.0	-74.28	405.81	4.88	-69.40
O=C(NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1C[NH+]2CCN1CC2	REAL300028808095	0	55	0.0	-79.16	398.36	1.83	-77.33
C[N@@H+]1CC2CC1(C(=O)NC1(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC1)C2	REAL300028808100	0	53	0.0	-76.60	394.62	4.36	-72.24
C[N@H+]1CC2CC1(C(=O)NC1(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC1)C2	REAL300028808100	1	53	0.0	-76.46	388.91	4.10	-72.36
O=C(C[N@@H+]1CC2CCC1C2)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028808107	0	56	0.0	-71.77	404.16	5.24	-66.53
O=C(C[N@H+]1CC2CCC1C2)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028808107	1	56	0.0	-70.84	401.44	4.96	-65.88
O=C(C[N@@H+]1CC2C=CC1C2)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028808147	1	54	0.0	-70.16	396.58	5.02	-65.14
O=C(C[N@H+]1CC2C=CC1C2)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028808147	1	54	0.0	-72.05	396.50	5.09	-66.96
CC(C[NH+](C)C)C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028808179	0	54	0.0	-74.00	395.64	4.33	-69.67
C[N@@H+]1CCCCC1CC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028808229	0	58	0.0	-66.49	409.24	5.19	-61.30
C[N@H+]1CCCCC1CC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028808229	1	58	0.0	-66.96	413.88	5.26	-61.70
CC(C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+]1CC(C)C1	REAL300028808239	1	55	0.0	-71.36	409.94	5.04	-66.32
CC1CC[N@@H+]1CC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028808241	1	52	0.0	-71.50	383.27	3.95	-67.55
CC1CC[N@H+]1CC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028808241	1	52	0.0	-72.64	388.78	4.23	-68.41
C[NH+](C)CC(O)CC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028808244	0	55	0.0	-77.62	410.18	2.02	-75.60
CC1C[N@H+](C)CC(C(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)O1	REAL300028808264	1	56	0.0	-81.89	409.31	4.12	-77.77
CC1C[N@@H+](C)CC(C(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)O1	REAL300028808264	1	56	0.0	-84.29	413.65	3.89	-80.40
C[NH+](C)[C@H]1C[C@H](C(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028808311	0	55	0.0	-74.43	411.65	4.93	-69.50
CC(CC[NH+](C)C)C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028808317	0	57	0.0	-73.88	417.52	5.04	-68.84
C[NH+]1CCN(CC(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300028808336	1	57	0.0	-73.05	416.49	2.64	-70.41
NC(=[NH2+])SCC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028808360	0	46	0.0	-74.92	366.01	0.02	-74.90
C[NH+](C)CCC1(C(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300028808389	0	58	0.0	-74.51	432.45	5.53	-68.98
C[N@@H+]1CC=CCC1CC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028808390	0	56	0.0	-76.56	407.94	5.09	-71.47
C[N@H+]1CC=CCC1CC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028808390	1	56	0.0	-68.90	408.16	5.16	-63.74
C[C@@H](OCC[NH+](C)C)C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028808403	0	58	0.0	-70.52	433.15	4.69	-65.83
CCC1CN(CC(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028808489	0	55	0.0	-74.91	415.00	5.18	-69.73
CCC1C[NH+](CC(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028808489	1	55	0.0	-74.91	415.00	5.18	-69.73
C[N@@H+]1CCC[C@H]1C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028808494	0	52	0.0	-73.48	382.28	3.84	-69.64
O=C(CC[N@H+]1CCC(F)C1)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028808500	0	55	0.0	-79.24	411.52	4.88	-74.36
CC1C(C(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@@H+]1C	REAL300028808519	0	55	0.0	-71.62	408.17	4.88	-66.74
CC1C(C(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@H+]1C	REAL300028808519	1	55	0.0	-71.62	408.17	4.88	-66.74
CN1CCOCC1CC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028808548	0	56	0.0	-79.25	407.38	2.85	-76.40
C[N@@H+]1CCOCC1CC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028808548	1	56	0.0	-71.68	405.09	2.83	-68.85
C[N@H+]1CCOCC1CC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028808548	1	56	0.0	-71.68	405.09	2.83	-68.85
C[N@@H+]1CCCC1C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028808719	0	52	0.0	-69.71	385.31	4.15	-65.56
CN1CCOC(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028808745	0	53	0.0	-64.48	394.40	3.56	-60.92
C[N@@H+]1CCOC(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028808745	1	53	0.0	-64.18	386.98	3.36	-60.82
C[N@H+]1CCOC(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028808745	1	53	0.0	-64.18	386.98	3.36	-60.82
O=C(CC[NH+]1CCOCC1)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028808898	1	56	0.0	-77.72	419.88	3.49	-74.23
O=C(NC1(C2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)CC1)C1=CC(=O)[N-]O1	REAL300028808910	0	56	0.0	-68.30	397.15	4.59	-63.71
O=C(NC1(C2CCCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300028808916	1	50	0.0	-76.99	395.23	6.64	-70.35
C[N@@H+]1CCC(CC(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028808947	0	55	0.0	-75.83	411.16	5.08	-70.75
C[N@H+]1CCC(CC(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028808947	1	55	0.0	-76.89	407.01	4.94	-71.95
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028808953	0	54	0.0	-79.50	412.44	3.15	-76.35
CCC(C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028808955	0	54	0.0	-72.00	390.98	4.29	-67.71
C[NH+](C)CCCCC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028808993	0	57	0.0	-75.84	429.98	5.61	-70.23
CC(C)C(C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028809009	0	57	0.0	-71.83	407.21	5.09	-66.74
CCC[N@H+](C)CCC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028809010	0	57	0.0	-75.59	426.22	5.45	-70.14
CCC[N@@H+](C)CCC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028809010	1	57	0.0	-75.73	426.22	5.45	-70.28
CCC[N@H+](C)CC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028809014	0	54	0.0	-72.63	403.84	4.84	-67.79
CCC[N@@H+](C)CC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028809014	1	54	0.0	-72.74	403.84	4.86	-67.88
O=C(NC1(C2CCCN(C(=O)C34CC[N@H+](C3)CCC4)C2)CC1)C1=CC(=O)[N-]O1	REAL300028809029	0	56	0.0	-75.04	398.01	4.28	-70.76
O=C(NC1(C2CCCN(C(=O)C34CC[N@@H+](C3)CCC4)C2)CC1)C1=CC(=O)[N-]O1	REAL300028809029	1	56	0.0	-74.97	398.18	4.30	-70.67
CC1CC[NH+](CC(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300028809062	0	58	0.0	-73.10	427.19	5.91	-67.19
C[NH+](C)CC1(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300028809103	0	55	0.0	-74.15	409.72	4.87	-69.28
CC[N@H+](C)CCC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028809122	0	54	0.0	-74.96	404.71	4.70	-70.26
CC[N@@H+](C)CCC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028809122	1	54	0.0	-74.96	404.72	4.69	-70.27
O=C(NC1(C2CCCN(C(=O)C3C[NH+]4CCC3CC4)C2)CC1)C1=CC(=O)[N-]O1	REAL300028809140	0	56	0.0	-80.89	398.15	4.81	-76.08
C[NH+]1CCC(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300028809189	0	55	0.0	-77.70	409.01	5.01	-72.69
CC(C)[C@H](C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028809205	0	57	0.0	-72.00	407.06	5.11	-66.89
CC[NH+](CC)CC(F)C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028809265	0	57	0.0	-73.27	418.07	4.99	-68.28
C[NH+](C)C1(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CCC1	REAL300028809286	0	55	0.0	-77.52	389.94	4.27	-73.25
CCC(C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](CC)CC	REAL300028809314	0	60	0.0	-64.68	426.03	5.61	-59.07
CC1CCC[N@@H+]1CC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028809325	0	55	0.0	-69.82	406.69	4.95	-64.87
CC1CCC[N@H+]1CC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028809325	1	55	0.0	-70.45	405.96	5.07	-65.38
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028809371	0	58	0.0	-68.05	419.95	5.36	-62.69
CC(C)[N@H+]1CCCC1C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028809371	1	58	0.0	-67.99	420.19	5.34	-62.65
CC(C)[C@@H](C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028809380	0	57	0.0	-71.81	407.09	5.09	-66.72
CC1CC[N@H+](CC(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028809394	0	55	0.0	-71.72	409.93	5.11	-66.61
CC1CC[N@@H+](CC(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028809394	1	55	0.0	-71.93	410.64	5.15	-66.78
CC1(C)CC[N@H+](CC(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028809398	0	58	0.0	-72.03	429.85	5.66	-66.37
CC1(C)CC[N@@H+](CC(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028809398	1	58	0.0	-72.77	426.22	5.55	-67.22
C[N@H+](CC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)CC(C)(C)C	REAL300028809399	0	60	0.0	-72.59	432.44	5.84	-66.75
C[N@@H+](CC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)CC(C)(C)C	REAL300028809399	1	60	0.0	-72.63	434.39	5.99	-66.64
CC[C@@H](C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028809407	0	54	0.0	-71.29	394.22	4.41	-66.88
CC1=[NH+]C=CN1CC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028809528	1	50	0.0	-69.36	388.76	4.85	-64.51
CC[N@@H+]1CCOC(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028809592	1	56	0.0	-81.78	415.23	4.31	-77.47
CC[N@H+]1CCOC(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028809592	1	56	0.0	-85.18	411.27	4.17	-81.01
O=C(NC1(C2CCCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300028809622	0	50	0.0	-73.56	390.21	6.47	-67.09
CC1=C[NH+]=CN1CC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028809625	1	50	0.0	-71.89	390.09	5.63	-66.26
C[C@@H]1[C@H](C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@@H+]1C	REAL300028809632	0	55	0.0	-79.28	395.70	4.22	-75.06
C[C@@H]1[C@H](C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@H+]1C	REAL300028809632	1	55	0.0	-75.79	398.36	4.81	-70.98
CC[C@@H]1[C@@H](C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@@H+]1C	REAL300028809634	0	58	0.0	-61.05	417.99	4.93	-56.12
CC[C@@H]1[C@@H](C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@H+]1C	REAL300028809634	1	58	0.0	-73.76	416.56	5.25	-68.51
CC1CCC(C)[NH+]1CC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028809641	0	58	0.0	-68.52	421.42	5.30	-63.22
O=C(CCC[NH+]1CCCC1)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028809644	0	58	0.0	-74.33	429.72	5.79	-68.54
O=C(CC[NH+]1CCCCC1)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028809648	0	58	0.0	-74.78	424.65	5.78	-69.00
CC[N@@H+]1CCCCC1C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028809651	0	58	0.0	-69.04	411.79	5.20	-63.84
CC[N@H+]1CCCCC1C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028809651	1	58	0.0	-68.02	422.95	5.68	-62.34
C[N@H+](CC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CCC1	REAL300028809749	0	55	0.0	-70.39	410.72	5.41	-64.98
C[N@@H+](CC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CCC1	REAL300028809749	1	55	0.0	-69.99	410.78	5.40	-64.59
C[NH+]1CCC(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300028809780	0	55	0.0	-77.70	409.01	5.01	-72.69
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028809810	0	52	0.0	-70.74	379.20	3.83	-66.91
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028809810	1	52	0.0	-69.62	387.42	4.27	-65.35
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028809828	1	54	0.0	-70.65	405.86	5.04	-65.61
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028809828	1	54	0.0	-71.10	412.62	5.48	-65.62
C[N@@H+]1CCCC1CCC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028809833	0	58	0.0	-76.34	432.04	5.97	-70.37
C[N@H+]1CCCC1CCC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028809833	1	58	0.0	-72.71	426.53	5.50	-67.21
C[N@@H+]1CCCCC1C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028809907	0	55	0.0	-71.10	393.98	4.46	-66.64
C[N@H+]1CCCCC1C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028809907	1	55	0.0	-70.72	390.07	4.41	-66.31
CC1C(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@@H+]1C	REAL300028809965	0	55	0.0	-71.07	407.09	4.75	-66.32
CC1C(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@H+]1C	REAL300028809965	1	55	0.0	-75.64	396.31	4.77	-70.87
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810021	0	58	0.0	-71.11	400.85	4.40	-66.71
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810021	1	58	0.0	-70.01	421.58	4.96	-65.05
C[C@@H](C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028810035	0	51	0.0	-71.07	376.71	3.67	-67.40
C=CCC(C)(C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028810049	0	58	0.0	-64.85	410.05	4.88	-59.97
O=C(CC[NH+]1CCCC1)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810066	0	55	0.0	-75.01	408.95	5.06	-69.95
C[N@H+](CCO)CC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810075	1	52	0.0	-73.77	392.70	0.87	-72.90
C[N@@H+](CCO)CC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810075	1	52	0.0	-72.82	392.48	0.88	-71.94
C[N@H+]1CC=C(CC(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300028810133	0	56	0.0	-71.56	419.46	5.64	-65.92
C[N@@H+]1CC=C(CC(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300028810133	1	56	0.0	-69.90	419.46	5.64	-64.26
C[S+](C)CCC(O)C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810143	0	54	0.0	-80.55	426.20	2.89	-77.66
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810156	0	56	0.0	-75.77	398.38	1.12	-74.65
C[N@H+]1CC(O)CC1(C)C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810156	1	56	0.0	-69.50	398.76	0.43	-69.07
CC1C[NH+](CC(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028810186	1	52	0.0	-72.92	395.90	4.53	-68.39
CC[N@@H+]1CCCC(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028810192	0	58	0.0	-71.96	418.36	5.77	-66.19
CC[N@H+]1CCCC(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028810192	1	58	0.0	-57.19	413.34	5.54	-51.65
NC1=[NH+]C=CC=C1CC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810196	0	51	0.0	-68.97	394.57	3.13	-65.84
O=C(NC1(C2CCCN(C(=O)C3CCC[N@@H+]3C3CC3)C2)CC1)C1=CC(=O)[N-]O1	REAL300028810204	0	56	0.0	-67.83	411.20	5.45	-62.38
O=C(NC1(C2CCCN(C(=O)C3CCC[N@H+]3C3CC3)C2)CC1)C1=CC(=O)[N-]O1	REAL300028810204	1	56	0.0	-67.60	412.33	5.48	-62.12
O=C(C=CC[NH+]1CCCC1)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810234	0	56	0.0	-76.87	426.34	5.87	-71.00
CC[N@H+](C)CC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810279	0	51	0.0	-72.42	382.34	4.10	-68.32
O=C(CN1CC2C=CC1C2)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810314	0	54	0.0	-68.16	403.70	5.32	-62.84
O=C(C[N@@H+]1CC2C=CC1C2)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810314	1	54	0.0	-68.14	403.77	5.32	-62.82
O=C(C[N@H+]1CC2C=CC1C2)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810314	1	54	0.0	-68.14	403.77	5.32	-62.82
CC(OCC[NH+](C)C)C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810401	0	58	0.0	-72.96	436.39	5.03	-67.93
C[NH+](C)CCOCCC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810408	0	58	0.0	-72.64	437.16	4.12	-68.52
COCCN(C)CC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810410	0	55	0.0	-72.40	414.73	3.28	-69.12
COCC[N@H+](C)CC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810410	1	55	0.0	-73.99	414.95	3.27	-70.72
COCC[N@@H+](C)CC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810410	1	55	0.0	-73.99	414.95	3.27	-70.72
CC(CCC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028810413	0	57	0.0	-72.92	421.90	5.21	-67.71
CC[N@H+](CC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300028810429	0	55	0.0	-71.19	405.96	5.34	-65.85
C[N@@H+]1CC2CC1(C(=O)N1CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C1)C2	REAL300028810456	0	53	0.0	-74.64	391.51	4.34	-70.30
O=C(C[N@@H+]1CC2CCC1C2)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810465	0	56	0.0	-69.77	405.01	5.21	-64.56
O=C(C[N@H+]1CC2CCC1C2)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810465	1	56	0.0	-69.77	405.01	5.21	-64.56
CC(C[NH+](C)C)C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810480	0	54	0.0	-80.32	403.03	4.61	-75.71
CCN1CCC1C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810517	0	52	0.0	-69.43	388.59	4.13	-65.30
CC[N@@H+]1CCC1C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810517	1	52	0.0	-70.48	383.63	3.95	-66.53
CC[N@H+]1CCC1C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810517	1	52	0.0	-70.48	383.63	3.95	-66.53
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810528	0	60	0.0	-68.76	427.73	3.86	-64.90
CNC1=NC(C)=CC=C1C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810555	0	54	0.0	-66.43	413.34	3.93	-62.50
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810555	1	54	0.0	-66.43	413.34	3.93	-62.50
CCCC(C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028810564	0	57	0.0	-68.78	414.46	5.14	-63.64
C[NH+](C)C(C)(C)C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810569	0	54	0.0	-72.15	385.30	3.93	-68.22
CC(CC[NH+](C)C)C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810583	0	57	0.0	-83.94	420.76	5.08	-78.86
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810645	0	58	0.0	-69.89	426.11	5.30	-64.59
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810645	1	58	0.0	-69.89	426.11	5.30	-64.59
C[NH+](C)CCCCCC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810647	0	60	0.0	-74.88	451.48	6.39	-68.49
CN1CCN(CC(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300028810654	0	57	0.0	-72.53	419.35	2.78	-69.75
C[NH+]1CCN(CC(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300028810654	1	57	0.0	-72.53	419.35	2.78	-69.75
CC1CN(C)CC(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)O1	REAL300028810707	0	56	0.0	-86.65	408.98	4.29	-82.36
CC1C[N@H+](C)CC(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)O1	REAL300028810707	1	56	0.0	-84.49	418.66	4.41	-80.08
CC1C[N@@H+](C)CC(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)O1	REAL300028810707	1	56	0.0	-84.49	418.66	4.41	-80.08
C[N@@H+]1CCCCC1C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810765	0	55	0.0	-70.72	390.07	4.41	-66.31
C[N@@H+]1CCC(=CC(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028810839	0	53	0.0	-76.68	402.99	5.00	-71.68
C[N@H+]1CCC(=CC(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028810839	1	53	0.0	-76.68	402.99	5.00	-71.68
O=C(CNC1=CC=[NH+]C=C1)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810842	0	51	0.0	-72.86	396.05	2.55	-70.31
C[NH+](C)C1(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CCCC1	REAL300028810905	0	58	0.0	-71.29	400.66	4.37	-66.92
CCC1C[NH+](CC(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028810914	0	55	0.0	-73.91	417.27	5.29	-68.62
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810924	0	52	0.0	-68.91	386.45	4.19	-64.72
C[N@H+]1CCC[C@H]1C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810924	1	52	0.0	-72.12	379.05	3.84	-68.28
NC1=CC=C(CCC(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C=[NH+]1	REAL300028810968	0	54	0.0	-71.75	419.38	3.82	-67.93
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028811019	0	55	0.0	-72.69	413.82	5.16	-67.53
C[NH+](C)CCC1(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300028811028	0	58	0.0	-71.87	435.36	5.75	-66.12
C[N@@H+]1CC=CCC1CC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028811029	0	56	0.0	-65.24	406.87	5.33	-59.91
C[N@H+]1CC=CCC1CC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028811029	1	56	0.0	-78.29	411.82	5.39	-72.90
C[NH+](C)CCOCC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028811065	0	55	0.0	-72.75	416.21	4.41	-68.34
[NH2+]=C1SC=CN1CC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028811093	0	48	0.0	-68.99	387.46	3.45	-65.54
C[C@@H](OCC[NH+](C)C)C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028811135	0	58	0.0	-71.72	435.74	4.97	-66.75
C[N@@H+]1CCCC(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028811165	0	55	0.0	-73.55	409.10	4.97	-68.58
C[N@H+]1CCCC(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028811165	1	55	0.0	-73.55	409.10	4.97	-68.58
O=C(C[NH+]1CCCCCC1)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028811166	0	58	0.0	-72.69	417.81	5.82	-66.87
CN1C=C[N+](CC(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=C1	REAL300028811170	0	50	0.0	-70.70	391.60	6.79	-63.91
O=C(CN1CCC(O)CC1)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028811193	0	56	0.0	-77.61	417.44	1.95	-75.66
O=C(C[NH+]1CCC(O)CC1)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028811193	1	56	0.0	-77.61	417.44	1.95	-75.66
C[N@H+](CC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300028811195	0	52	0.0	-70.55	390.03	4.69	-65.86
O=C(CC[N@H+]1CCC(F)C1)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028811198	0	55	0.0	-79.06	418.63	5.24	-73.82
CC(CC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C[NH+](C)C	REAL300028811219	0	57	0.0	-74.80	421.63	5.50	-69.30
CN1CCOCC1CC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028811238	0	56	0.0	-67.76	403.78	3.00	-64.76
C[N@@H+]1CCOCC1CC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028811238	1	56	0.0	-81.37	411.17	3.16	-78.21
C[N@H+]1CCOCC1CC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028811238	1	56	0.0	-81.37	411.17	3.16	-78.21
CC1=CC(N)=NC=C1C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028811278	0	51	0.0	-73.74	393.26	2.57	-71.17
CC1=CC(N)=[NH+]C=C1C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028811278	1	51	0.0	-73.74	393.26	2.57	-71.17
CC1(O)CC[N@H+](CC(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028811308	0	56	0.0	-73.53	421.14	1.85	-71.68
C[NH+]1CC(CC(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028811336	0	52	0.0	-74.55	391.73	4.07	-70.48
C[N@H+](CCO)CCC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028811366	0	55	0.0	-74.29	415.01	1.48	-72.81
C[N@@H+](CCO)CCC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028811366	1	55	0.0	-74.29	415.01	1.48	-72.81
C[N@@H+]1CCCCC1CC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028811384	0	58	0.0	-65.71	412.41	5.39	-60.32
C[N@H+]1CCCCC1CC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028811384	1	58	0.0	-65.71	412.41	5.39	-60.32
CC1CCN1CC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028811399	0	52	0.0	-70.79	386.38	4.09	-66.70
CC1CC[N@@H+]1CC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028811399	1	52	0.0	-70.18	390.30	4.23	-65.95
CC1CC[N@H+]1CC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028811399	1	52	0.0	-70.18	390.30	4.23	-65.95
C[NH+](C)CC=CC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028811407	0	52	0.0	-77.09	400.06	4.66	-72.43
CC1(C)CN(CC(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028811413	0	55	0.0	-72.79	414.96	5.00	-67.79
CC1(C)C[NH+](CC(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028811413	1	55	0.0	-72.79	414.96	5.00	-67.79
C[NH+](C)CCSCC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028811435	0	55	0.0	-78.10	427.23	5.31	-72.79
O=C(C[N@H+]1CCCC1CO)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028811454	0	56	0.0	-72.03	417.60	1.98	-70.05
CC[NH+](CC)CC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028811458	0	54	0.0	-71.23	391.99	4.35	-66.88
O=C(CN1CCC1)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028811467	0	49	0.0	-73.52	370.96	3.77	-69.75
O=C(C[NH+]1CCC1)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028811467	1	49	0.0	-73.52	370.96	3.77	-69.75
CC[NH+](CC)CCC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028811498	0	57	0.0	-74.00	422.56	5.40	-68.60
CC(C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)N1CCC1	REAL300028811557	0	52	0.0	-70.53	383.02	4.13	-66.40
CC(C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+]1CCC1	REAL300028811557	1	52	0.0	-70.53	383.02	4.13	-66.40
CCC(CC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C[NH+](C)C	REAL300028811562	0	60	0.0	-76.02	435.65	5.97	-70.05
C[NH+](C)CC(C)(C)C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028811568	0	57	0.0	-77.01	394.61	4.68	-72.33
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028811605	0	55	0.0	-69.65	403.92	4.95	-64.70
C[NH+](C)CC(O)CC(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028811629	0	55	0.0	-79.56	413.23	2.36	-77.20
C=CCC(C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028811651	0	55	0.0	-68.42	401.04	4.65	-63.77
C[NH+]1CCC(C)(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300028811664	0	58	0.0	-70.72	412.25	4.91	-65.81
C[NH+](C)CCSCC(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028811727	0	55	0.0	-77.74	424.37	5.07	-72.67
C[N@@H+]1CCCC1C(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028811892	0	56	0.0	-65.62	410.49	3.41	-62.21
C[N@H+]1CCCC1C(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028811892	1	56	0.0	-63.87	406.97	3.02	-60.85
CC1=[NH+]C=CN1CC(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812055	1	54	0.0	-58.92	413.86	3.96	-54.96
C[C@@H]1[C@H](C(=O)NC(C)(C)CN2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300028812074	0	59	0.0	-69.20	417.64	3.05	-66.15
C[C@@H]1[C@H](C(=O)NC(C)(C)CN2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300028812074	1	59	0.0	-67.09	422.88	3.47	-63.62
C[NH+](C)C1(C(=O)NC(C)(C)CN2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300028812095	0	59	0.0	-61.66	418.12	3.46	-58.20
CC(C)[C@@H](C(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028812097	0	61	0.0	-63.66	426.63	3.61	-60.05
C[N@H+](CC(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300028812107	0	59	0.0	-59.57	430.65	4.33	-55.24
C[N@@H+](CC(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300028812107	1	59	0.0	-60.40	430.55	4.33	-56.07
C[NH+]1CCC(C(=O)NC(C)(C)CN2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028812133	0	59	0.0	-70.29	427.72	3.87	-66.42
C[N@@H+]1CCCCC1C(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812139	0	59	0.0	-66.18	426.69	3.93	-62.25
C[N@H+]1CCCCC1C(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812139	1	59	0.0	-65.28	426.19	3.93	-61.35
CC1=C[NH+]=CN1CC(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812156	1	54	0.0	-62.64	413.15	4.64	-58.00
C[N@@H+]1CCC(CC(=O)NC(C)(C)CN2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028812166	0	59	0.0	-67.95	428.34	3.71	-64.24
C[N@H+]1CCC(CC(=O)NC(C)(C)CN2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028812166	1	59	0.0	-68.31	427.79	3.72	-64.59
CCC(C(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028812169	0	58	0.0	-65.74	411.20	3.34	-62.40
C[NH+](C)CCCCC(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812183	0	61	0.0	-69.95	449.78	4.39	-65.56
CC(C)C(C(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028812187	0	61	0.0	-66.28	432.70	4.49	-61.79
CCC[N@H+](C)CCC(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812188	0	61	0.0	-62.82	446.03	4.31	-58.51
CCC[N@@H+](C)CCC(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812188	1	61	0.0	-62.64	446.00	4.29	-58.35
CCC[N@H+](C)CC(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812189	0	58	0.0	-61.71	423.66	3.75	-57.96
CCC[N@@H+](C)CC(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812189	1	58	0.0	-61.82	423.66	3.76	-58.06
C[N@@H+]1CCC[C@@H]1C(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812204	0	56	0.0	-67.98	405.04	2.81	-65.17
C[N@H+]1CCC[C@@H]1C(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812204	1	56	0.0	-58.53	409.51	3.40	-55.13
CC[NH+](CC)CC(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812216	0	58	0.0	-66.80	419.85	3.60	-63.20
C[NH+](C)CC1(C(=O)NC(C)(C)CN2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028812270	0	59	0.0	-68.07	431.76	4.07	-64.00
C[NH+]1CCC(C(=O)NC(C)(C)CN2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028812294	0	59	0.0	-70.29	427.72	3.87	-66.42
CC(C)[C@H](C(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028812309	0	61	0.0	-58.32	432.59	4.50	-53.82
CC[N@H+](C)CCC(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812337	0	58	0.0	-62.32	424.52	3.56	-58.76
CC[N@@H+](C)CCC(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812337	1	58	0.0	-62.05	424.53	3.55	-58.50
CC1CCC[N@@H+]1CC(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812348	0	59	0.0	-58.69	430.49	4.01	-54.68
CC1CCC[N@H+]1CC(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812348	1	59	0.0	-59.64	423.63	3.71	-55.93
CC1CC[N@H+](CC(=O)NC(C)(C)CN2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028812349	0	59	0.0	-60.79	429.68	4.07	-56.72
CC1CC[N@@H+](CC(=O)NC(C)(C)CN2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028812349	1	59	0.0	-60.72	429.87	4.09	-56.63
CC[C@@H](C(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028812351	0	58	0.0	-59.46	410.18	3.45	-56.01
C[NH+](C)CC(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812388	0	52	0.0	-69.34	384.42	2.25	-67.09
CN1C=C[N+](CC(=O)NC(C)(C)CN2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300028812389	0	54	0.0	-59.64	415.66	5.85	-53.79
C[N@@H+]1CCCC(C(=O)NC(C)(C)CN2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028812392	0	59	0.0	-63.76	421.38	4.22	-59.54
C[N@H+]1CCCC(C(=O)NC(C)(C)CN2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028812392	1	59	0.0	-64.41	423.14	4.29	-60.12
CC(C(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC1	REAL300028812400	1	56	0.0	-66.64	412.99	3.36	-63.28
C[NH+](C)CC(C)(C)C(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812403	0	61	0.0	-67.99	433.38	3.98	-64.01
C[N@H+](CC(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300028812410	0	56	0.0	-59.45	413.84	3.75	-55.70
C[N@@H+](CC(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300028812410	1	56	0.0	-59.52	413.70	3.73	-55.79
C[NH+]1CC(CC(=O)NC(C)(C)CN2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028812421	0	56	0.0	-69.47	415.85	3.09	-66.38
C[C@@H](C(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028812433	0	55	0.0	-67.40	401.39	2.73	-64.67
C[N@H+](CCO)CCC(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812472	0	59	0.0	-61.70	434.86	0.34	-61.36
C[N@@H+](CCO)CCC(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812472	1	59	0.0	-62.27	434.35	0.31	-61.96
C[C@@H](C(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028812473	0	55	0.0	-67.40	401.39	2.73	-64.67
C[N@@H+]1CCCC[C@@H]1C(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812476	0	59	0.0	-60.75	415.93	3.84	-56.91
C[N@H+]1CCCC[C@@H]1C(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812476	1	59	0.0	-65.04	425.72	3.91	-61.13
CC(C)(CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C[NH+]1CCC1	REAL300028812503	1	53	0.0	-61.37	394.53	2.77	-58.60
C[N@@H+]1CCC(=CC(=O)NC(C)(C)CN2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028812513	0	57	0.0	-65.44	422.34	3.91	-61.53
C[N@H+]1CCC(=CC(=O)NC(C)(C)CN2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028812513	1	57	0.0	-65.57	423.92	3.96	-61.61
C[NH+](C)CCOCC(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812523	0	59	0.0	-68.14	440.47	3.19	-64.95
C[C@H](C(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028812534	0	55	0.0	-59.38	400.61	2.81	-56.57
CC1C[NH+](CC(=O)NC(C)(C)CN2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028812551	1	56	0.0	-61.57	415.70	3.43	-58.14
C[N@H+](CCO)CC(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812564	1	56	0.0	-62.61	412.52	-0.22	-62.83
C[N@@H+](CCO)CC(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812564	1	56	0.0	-68.78	412.73	-0.31	-69.09
CC(CC(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300028812576	0	61	0.0	-69.42	441.60	4.25	-65.17
CC[N@H+](C)CC(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812578	0	55	0.0	-61.30	402.16	3.02	-58.28
CC[N@@H+](C)CC(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812578	1	55	0.0	-61.41	402.17	3.01	-58.40
CC[N@H+](CC(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300028812588	0	59	0.0	-58.38	429.45	4.22	-54.16
CC[N@@H+](CC(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300028812588	1	59	0.0	-57.93	427.83	4.17	-53.76
CC[NH+](CC)CCC(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812594	0	61	0.0	-68.46	441.47	4.18	-64.28
CC(C)(CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C[NH+]1CC(C)(C)C1	REAL300028812602	1	59	0.0	-61.12	434.84	3.91	-57.21
C[NH+](C)CC=CC(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812609	0	56	0.0	-71.93	421.63	3.52	-68.41
COCC[N@H+](C)CC(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812618	1	59	0.0	-68.54	434.99	2.09	-66.45
COCC[N@@H+](C)CC(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812618	1	59	0.0	-62.58	434.77	2.18	-60.40
CC(CCC(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028812627	0	61	0.0	-70.62	438.47	3.99	-66.63
CC[N@@H+]1CCC1C(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812632	1	56	0.0	-60.40	409.95	3.12	-57.28
CC[N@H+]1CCC1C(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812632	1	56	0.0	-65.25	405.97	2.72	-62.53
C=CCC(C(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028812657	0	59	0.0	-66.71	431.42	3.97	-62.74
CC(C)(CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C[NH+]1CC2CC2C1	REAL300028812665	0	57	0.0	-68.57	419.75	4.14	-64.43
CCCC(C(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028812672	0	61	0.0	-67.74	438.93	4.19	-63.55
C[NH+](C)C(C)(C)C(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812674	0	58	0.0	-69.53	412.88	3.14	-66.39
C[N@@H+]1CCCCC1C(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812684	0	59	0.0	-66.18	426.69	3.93	-62.25
C[N@H+]1CCCCC1C(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812684	1	59	0.0	-65.28	426.19	3.93	-61.35
C[NH+](C)C1(C(=O)NC(C)(C)CN2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028812721	0	56	0.0	-63.60	410.46	3.09	-60.51
CC(C)(CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CC[NH+]1CCCC1	REAL300028812722	0	59	0.0	-61.78	431.16	3.95	-57.83
C[N@@H+]1CC2CC1(C(=O)NC(C)(C)CN1CCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300028812732	0	57	0.0	-68.50	411.20	3.49	-65.01
C[N@H+]1CC2CC1(C(=O)NC(C)(C)CN1CCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300028812732	1	57	0.0	-69.44	413.20	4.00	-65.44
CC(C[NH+](C)C)C(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812768	0	58	0.0	-69.19	423.04	3.55	-65.64
CC(C(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CC(C)C1	REAL300028812791	0	59	0.0	-66.37	430.88	4.12	-62.25
CC1CC[N@@H+]1CC(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812792	1	56	0.0	-59.87	415.81	3.43	-56.44
CC1CC[N@H+]1CC(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812792	1	56	0.0	-67.96	416.14	3.53	-64.43
C[NH+](C)CC(O)CC(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812794	0	59	0.0	-72.40	437.03	1.19	-71.21
C[NH+](C)[C@H]1C[C@H](C(=O)NC(C)(C)CN2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028812824	0	59	0.0	-59.64	434.00	4.07	-55.57
CC(CC[NH+](C)C)C(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812825	0	61	0.0	-69.33	442.86	4.09	-65.24
CC(C)(CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CSC(N)=[NH2+]	REAL300028812846	0	50	0.0	-69.24	392.34	-0.80	-70.04
CCC1C[NH+](CC(=O)NC(C)(C)CN2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028812906	1	59	0.0	-62.17	437.09	4.20	-57.97
C[N@@H+]1CCC[C@H]1C(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812910	0	56	0.0	-65.92	410.22	3.36	-62.56
C[N@H+]1CCC[C@H]1C(=O)NC(C)(C)CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028812910	1	56	0.0	-65.90	400.48	2.49	-63.41
CC(C)(CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C[NH+]1CCCCC1	REAL300028812917	0	59	0.0	-60.01	424.93	4.21	-55.80
CC1C(C(=O)NC(C)(C)CN2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300028812921	0	59	0.0	-70.41	419.50	3.27	-67.14
CC1C(C(=O)NC(C)(C)CN2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300028812921	1	59	0.0	-60.64	419.46	3.43	-57.21
C[N@@H+]1CCCC1C(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028813101	0	56	0.0	-69.71	412.15	3.42	-66.29
C[N@H+]1CCCC1C(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028813101	1	56	0.0	-59.71	406.58	3.05	-56.66
C[N@@H+]1CCC(CC(=O)N2CCN(CC(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028813277	0	59	0.0	-64.07	434.17	4.22	-59.85
C[N@H+]1CCC(CC(=O)N2CCN(CC(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028813277	1	59	0.0	-64.53	434.50	4.17	-60.36
CCC(C(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028813280	0	58	0.0	-58.73	416.78	3.59	-55.14
C[NH+](C)CCCCC(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028813290	0	61	0.0	-65.05	453.46	4.73	-60.32
CC(C)C(C(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028813295	0	61	0.0	-58.45	429.08	4.14	-54.31
CCC[N@H+](C)CCC(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028813296	0	61	0.0	-62.74	449.33	4.58	-58.16
CCC[N@@H+](C)CCC(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028813296	1	61	0.0	-62.71	449.33	4.58	-58.13
CCC[N@H+](C)CC(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028813297	0	58	0.0	-60.88	426.96	3.97	-56.91
CCC[N@@H+](C)CC(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028813297	1	58	0.0	-61.38	427.32	3.95	-57.43
C[NH+](C)CC1(C(=O)N2CCN(CC(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028813336	0	59	0.0	-75.04	435.80	4.13	-70.91
CC[N@H+](C)CCC(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028813342	0	58	0.0	-62.80	428.18	3.82	-58.98
CC[N@@H+](C)CCC(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028813342	1	58	0.0	-62.77	428.18	3.82	-58.95
C[NH+]1CCC(C(=O)N2CCN(CC(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028813366	0	59	0.0	-62.47	428.15	3.95	-58.52
CC(C)[C@H](C(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028813381	0	61	0.0	-58.71	430.23	4.11	-54.60
C[NH+](C)C1(C(=O)N2CCN(CC(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300028813405	0	59	0.0	-58.20	411.44	3.48	-54.72
CC1CCC[N@@H+]1CC(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028813430	0	59	0.0	-58.28	426.78	3.93	-54.35
CC1CCC[N@H+]1CC(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028813430	1	59	0.0	-54.86	423.35	3.71	-51.15
CC(C)[C@@H](C(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028813441	0	61	0.0	-58.56	427.14	4.28	-54.28
CC1CC[N@H+](CC(=O)N2CCN(CC(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028813449	0	59	0.0	-60.24	433.43	4.22	-56.02
CC1CC[N@@H+](CC(=O)N2CCN(CC(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028813449	1	59	0.0	-60.30	433.29	4.30	-56.00
CC[C@@H](C(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028813451	0	58	0.0	-59.43	418.20	3.68	-55.75
CC1=[NH+]C=CN1CC(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028813490	1	54	0.0	-59.17	417.12	4.17	-55.00
CC1=C[NH+]=CN1CC(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028813508	1	54	0.0	-61.80	417.48	4.91	-56.89
C[C@@H]1[C@H](C(=O)N2CCN(CC(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300028813509	0	59	0.0	-63.31	423.77	3.55	-59.76
C[C@@H]1[C@H](C(=O)N2CCN(CC(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300028813509	1	59	0.0	-62.00	430.12	3.83	-58.17
C[N@H+](CC(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300028813541	0	59	0.0	-59.41	434.19	4.53	-54.88
C[N@@H+](CC(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300028813541	1	59	0.0	-59.13	433.96	4.56	-54.57
C[NH+]1CCC(C(=O)N2CCN(CC(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028813548	0	59	0.0	-62.47	428.15	3.95	-58.52
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028813561	0	56	0.0	-60.82	406.76	3.13	-57.69
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028813561	1	56	0.0	-55.37	406.02	3.09	-52.28
C[N@@H+]1CCCCC1C(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028813604	0	59	0.0	-57.79	427.28	4.14	-53.65
C[N@H+]1CCCCC1C(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028813604	1	59	0.0	-59.32	420.11	3.83	-55.49
CC1C(C(=O)N2CCN(CC(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300028813633	0	59	0.0	-60.38	429.01	3.85	-56.53
CC1C(C(=O)N2CCN(CC(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300028813633	1	59	0.0	-60.62	429.98	3.89	-56.73
C[C@@H](C(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028813674	0	55	0.0	-59.21	403.42	2.92	-56.29
CC(C)(CN1CCN(C(=O)CC[NH+]2CCCC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028813692	0	59	0.0	-61.70	436.06	4.35	-57.35
C[N@H+](CCO)CC(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028813697	1	56	0.0	-61.34	415.81	-0.00	-61.34
C[N@@H+](CCO)CC(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028813697	1	56	0.0	-60.59	415.54	0.02	-60.57
CC1C[NH+](CC(=O)N2CCN(CC(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028813744	1	56	0.0	-60.70	419.02	3.66	-57.04
CC[N@H+](C)CC(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028813778	0	55	0.0	-60.49	405.45	3.23	-57.26
CC[N@@H+](C)CC(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028813778	1	55	0.0	-60.48	405.45	3.24	-57.24
COCC[N@H+](C)CC(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028813831	1	59	0.0	-60.39	437.79	2.43	-57.96
COCC[N@@H+](C)CC(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028813831	1	59	0.0	-61.77	438.42	2.38	-59.39
CC(CCC(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028813833	0	61	0.0	-62.72	444.84	4.37	-58.35
CC[N@H+](CC(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300028813838	0	59	0.0	-58.91	428.48	4.44	-54.47
CC[N@@H+](CC(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300028813838	1	59	0.0	-57.16	432.99	4.55	-52.61
C[N@@H+]1CC2CC1(C(=O)N1CCN(CC(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300028813851	0	57	0.0	-76.04	413.30	3.61	-72.43
C[N@H+]1CC2CC1(C(=O)N1CCN(CC(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300028813851	1	57	0.0	-56.43	413.40	3.41	-53.02
CC(C[NH+](C)C)C(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028813860	0	58	0.0	-61.62	423.77	3.59	-58.03
C[NH+](C)C1(C(=O)N2CCN(CC(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028813866	0	56	0.0	-60.58	407.09	3.03	-57.55
C[C@H](C(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028813877	0	55	0.0	-59.42	403.74	2.90	-56.52
CC[N@@H+]1CCC1C(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028813880	1	56	0.0	-56.59	404.22	2.76	-53.83
CC[N@H+]1CCC1C(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028813880	1	56	0.0	-56.56	415.69	3.30	-53.26
CC(C)(CN1CCN(C(=O)C2=C[NH+]=CC=C2N)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028813895	0	52	0.0	-59.09	400.17	0.53	-58.56
CCCC(C(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028813899	0	61	0.0	-59.86	439.18	4.36	-55.50
C[NH+](C)C(C)(C)C(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028813902	0	58	0.0	-56.57	407.59	2.98	-53.59
CC(CC[NH+](C)C)C(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028813911	0	61	0.0	-62.34	446.34	4.30	-58.04
CC(C)(CN1CCN(C(=O)C[NH+]2CC3CC3C2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028813972	0	57	0.0	-60.07	423.18	4.45	-55.62
C[N@@H+]1CCCCC1C(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028813982	0	59	0.0	-57.79	427.28	4.14	-53.65
C[N@H+]1CCCCC1C(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028813982	1	59	0.0	-59.32	420.11	3.83	-55.49
C[N@@H+]1CCC(=CC(=O)N2CCN(CC(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028814010	0	57	0.0	-66.35	425.52	4.12	-62.23
C[N@H+]1CCC(=CC(=O)N2CCN(CC(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028814010	1	57	0.0	-66.23	425.51	4.12	-62.11
CCC1C[NH+](CC(=O)N2CCN(CC(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028814033	0	59	0.0	-61.28	440.38	4.42	-56.86
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028814038	0	56	0.0	-58.43	412.61	3.48	-54.95
C[N@H+]1CCC[C@H]1C(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028814038	1	56	0.0	-59.02	406.10	3.11	-55.91
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCN(CC(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028814081	0	59	0.0	-63.25	437.30	4.29	-58.96
C[NH+](C)CCOCC(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028814098	0	59	0.0	-63.39	443.61	3.70	-59.69
CC(C)(CN1CCN(C(=O)C[NH+]2CCCCC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028814132	0	59	0.0	-60.26	429.82	4.42	-55.84
C[N@@H+]1CCCC(C(=O)N2CCN(CC(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028814133	0	59	0.0	-62.27	431.65	4.12	-58.15
C[N@H+]1CCCC(C(=O)N2CCN(CC(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028814133	1	59	0.0	-56.96	421.93	4.19	-52.77
CN1C=C[N+](CC(=O)N2CCN(CC(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300028814134	0	54	0.0	-60.40	419.32	6.06	-54.34
C[N@H+](CC(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300028814144	0	56	0.0	-58.42	417.02	3.97	-54.45
C[N@@H+](CC(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300028814144	1	56	0.0	-59.18	417.51	3.96	-55.22
CC(CC(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300028814152	0	61	0.0	-64.03	444.92	4.63	-59.40
C[NH+]1CC(CC(=O)N2CCN(CC(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028814202	0	56	0.0	-63.34	419.02	3.44	-59.90
C[NH+](C)CC(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028814209	0	52	0.0	-61.67	387.73	2.56	-59.11
C[N@H+](CCO)CCC(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028814219	0	59	0.0	-62.23	438.18	0.62	-61.61
C[N@@H+](CCO)CCC(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028814219	1	59	0.0	-62.90	438.54	0.58	-62.32
C[C@@H](C(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028814220	0	55	0.0	-59.21	403.42	2.92	-56.29
CC(C(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CC(C)C1	REAL300028814234	0	59	0.0	-58.35	436.98	4.10	-54.25
CC1CC[N@@H+]1CC(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028814235	1	56	0.0	-72.38	419.37	3.60	-68.78
CC1CC[N@H+]1CC(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028814235	1	56	0.0	-72.32	419.42	3.68	-68.64
C[NH+](C)CC=CC(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028814237	0	56	0.0	-79.91	422.26	3.79	-76.12
CC(C)(CN1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028814241	1	59	0.0	-60.38	438.10	4.14	-56.24
CC[NH+](CC)CC(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028814257	0	58	0.0	-59.49	419.24	3.64	-55.85
CC(C)(CN1CCN(C(=O)C[NH+]2CCC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028814262	1	53	0.0	-61.50	398.40	3.02	-58.48
CC[NH+](CC)CCC(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028814282	0	61	0.0	-61.38	441.29	4.27	-57.11
CC(C(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC1	REAL300028814311	0	56	0.0	-58.17	414.40	3.42	-54.75
C[NH+](C)CC(C)(C)C(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028814315	0	61	0.0	-59.10	428.16	3.89	-55.21
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028814336	0	59	0.0	-58.16	416.70	3.61	-54.55
C[N@H+]1CCCC[C@@H]1C(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028814336	1	59	0.0	-57.90	428.61	4.16	-53.74
C[NH+](C)CC(O)CC(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028814346	0	59	0.0	-66.30	440.43	1.60	-64.70
C=CCC(C(=O)N1CCN(CC(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028814358	0	59	0.0	-58.74	431.69	4.07	-54.67
C[N@@H+]1CCCC1C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028814559	0	52	0.0	-71.82	399.02	4.08	-67.74
C[N@H+]1CCCC1C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028814559	1	52	0.0	-59.81	396.24	4.81	-55.00
C[N@@H+]1CCOC(C(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028814583	1	53	0.0	-86.90	410.88	3.59	-83.31
C[N@H+]1CCOC(C(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028814583	1	53	0.0	-86.63	410.89	3.56	-83.07
CC(C)[N@@H+]1CCCC1C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028814739	0	58	0.0	-70.37	432.41	5.16	-65.21
CC(C)[N@H+]1CCCC1C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028814739	1	58	0.0	-72.72	426.89	5.39	-67.33
CC1=[NH+]C=CN1CC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028814772	1	50	0.0	-72.58	403.99	4.73	-67.85
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCC1CC2	REAL300028814800	0	56	0.0	-85.93	415.61	4.91	-81.02
C[C@@H]1[C@H](C(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028814834	0	55	0.0	-81.39	409.19	4.12	-77.27
C[C@@H]1[C@H](C(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028814834	1	55	0.0	-79.30	415.01	4.85	-74.45
CC[C@@H]1[C@@H](C(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028814836	0	58	0.0	-61.16	426.78	5.43	-55.73
CC[C@@H]1[C@@H](C(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028814836	1	58	0.0	-74.74	434.95	5.35	-69.39
CC[N@@H+]1CCOC(C(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028814843	1	56	0.0	-89.79	429.49	4.19	-85.60
CC[N@H+]1CCOC(C(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028814843	1	56	0.0	-88.63	428.70	4.24	-84.39
CC[NH+](CC)CC(F)C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028814871	0	57	0.0	-68.16	427.84	5.36	-62.80
CC1CCC(C)[NH+]1CC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028814907	0	58	0.0	-71.98	431.38	4.98	-67.00
O=C(CCC[NH+]1CCCC1)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028814910	0	58	0.0	-77.62	444.22	5.63	-71.99
O=C(CC[NH+]1CCCCC1)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028814913	0	58	0.0	-77.34	438.40	5.52	-71.82
CC[N@@H+]1CCCCC1C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028814916	0	58	0.0	-71.06	424.68	5.18	-65.88
CC[N@H+]1CCCCC1C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028814916	1	58	0.0	-59.15	429.57	6.04	-53.11
C[NH+](C)C1(C(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300028814927	0	55	0.0	-54.87	397.08	6.36	-48.51
CC(C)[C@@H](C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028814934	0	57	0.0	-72.11	420.02	5.59	-66.52
C[N@H+](CC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300028814959	0	55	0.0	-73.46	420.61	5.08	-68.38
C[N@@H+](CC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300028814959	1	55	0.0	-57.67	416.06	5.74	-51.93
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028815035	1	54	0.0	-74.07	419.95	4.88	-69.19
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028815035	1	54	0.0	-74.05	424.87	5.41	-68.64
C[N@@H+]1CCCC1CCC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028815040	0	58	0.0	-60.47	437.32	6.25	-54.22
C[N@H+]1CCCC1CCC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028815040	1	58	0.0	-76.06	434.60	5.13	-70.93
C[NH+]1CCC(C(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028815060	0	55	0.0	-69.16	414.50	5.43	-63.73
C[N@@H+]1CCCCC1C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028815099	0	55	0.0	-72.26	406.95	4.53	-67.73
C[N@H+]1CCCCC1C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028815099	1	55	0.0	-73.10	416.36	4.72	-68.38
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=CN2C=[NH+]C=C2C=C1	REAL300028815169	0	50	0.0	-77.77	404.51	6.58	-71.19
O=C(CC[NH+]1CCOCC1)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028815176	1	56	0.0	-64.48	425.21	3.77	-60.71
CC1=C[NH+]=CN1CC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028815189	1	50	0.0	-74.44	403.10	5.40	-69.04
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+]1CCC2	REAL300028815210	0	56	0.0	-78.22	419.04	5.09	-73.13
C[N@@H+]1CCC(CC(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028815221	0	55	0.0	-78.93	419.99	4.69	-74.24
C[N@H+]1CCC(CC(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028815221	1	55	0.0	-79.26	420.83	4.70	-74.56
CN(C)C1=CC=[NH+]C=C1C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028815227	0	54	0.0	-64.63	420.66	4.60	-60.03
CCC(C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028815229	0	54	0.0	-59.57	399.52	4.81	-54.76
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC2=C[NH+]=CN2C=C1	REAL300028815256	1	50	0.0	-83.93	404.78	6.61	-77.32
C[NH+](C)CCCCC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028815288	0	57	0.0	-79.95	439.75	5.23	-74.72
CC(C)C(C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028815302	0	57	0.0	-62.63	415.88	5.31	-57.32
CCC[N@H+](C)CCC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028815303	0	57	0.0	-78.91	435.98	5.06	-73.85
CCC[N@@H+](C)CCC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028815303	1	57	0.0	-63.56	431.54	5.72	-57.84
CCC[N@H+](C)CC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028815307	0	54	0.0	-75.71	413.62	4.49	-71.22
CCC[N@@H+](C)CC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028815307	1	54	0.0	-75.59	413.79	4.53	-71.06
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)C12CC[N@H+](C1)CCC2	REAL300028815322	0	56	0.0	-77.45	415.29	4.33	-73.12
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)C12CC[N@@H+](C1)CCC2	REAL300028815322	1	56	0.0	-78.10	415.43	4.34	-73.76
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028815348	0	52	0.0	-73.96	393.23	3.67	-70.29
C[N@H+]1CCC[C@@H]1C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028815348	1	52	0.0	-71.43	399.41	4.17	-67.26
CC[NH+](CC)CC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028815383	0	54	0.0	-73.69	405.35	4.20	-69.49
CC1CC[NH+](CC(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028815444	0	58	0.0	-76.22	437.62	5.61	-70.61
C[NH+](C)CC1(C(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028815466	0	55	0.0	-70.70	409.97	5.76	-64.94
C[NH+]1CCC(C(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028815519	0	55	0.0	-69.16	414.50	5.43	-63.73
CC(C)[C@H](C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028815535	0	57	0.0	-56.37	417.74	6.02	-50.35
CCC(C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300028815563	0	60	0.0	-56.47	435.85	6.12	-50.35
CC[N@H+](C)CCC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028815604	0	54	0.0	-78.16	414.48	4.31	-73.85
CC[N@@H+](C)CCC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028815604	1	54	0.0	-78.25	414.48	4.31	-73.94
CC1CCC[N@@H+]1CC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028815634	0	55	0.0	-71.44	412.22	4.51	-66.93
CC1CCC[N@H+]1CC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028815634	1	55	0.0	-57.38	408.63	5.15	-52.23
CC1CC[N@H+](CC(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028815636	0	55	0.0	-73.92	419.75	4.77	-69.15
CC1CC[N@@H+](CC(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028815636	1	55	0.0	-73.95	418.87	4.79	-69.16
CC1(C)CC[N@H+](CC(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028815640	0	58	0.0	-58.40	435.22	6.03	-52.37
CC1(C)CC[N@@H+](CC(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028815640	1	58	0.0	-58.72	434.83	6.00	-52.72
C[N@H+](CC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300028815641	0	60	0.0	-62.78	437.04	5.78	-57.00
C[N@@H+](CC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300028815641	1	60	0.0	-74.91	445.02	5.67	-69.24
CC[C@@H](C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028815649	0	54	0.0	-58.77	399.48	4.89	-53.88
C[NH+](C)CC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028815753	0	48	0.0	-76.11	374.39	3.10	-73.01
O=C(C[NH+]1CCCCCC1)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028815757	0	58	0.0	-75.08	425.47	5.17	-69.91
CN1C=C[N+](CC(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300028815760	0	50	0.0	-60.90	401.17	7.27	-53.63
C[N@@H+]1CCCC(C(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028815765	0	55	0.0	-76.49	417.90	4.72	-71.77
C[N@H+]1CCCC(C(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028815765	1	55	0.0	-68.95	412.72	4.93	-64.02
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@@H+]1C1CC1	REAL300028815770	0	56	0.0	-79.64	426.30	5.07	-74.57
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@H+]1C1CC1	REAL300028815770	1	56	0.0	-69.43	428.73	5.59	-63.84
CC(C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300028815786	1	52	0.0	-74.00	402.17	4.17	-69.83
CCC(CC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300028815790	0	60	0.0	-70.67	449.78	5.72	-64.95
C[NH+](C)CC(C)(C)C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028815795	0	57	0.0	-65.87	417.47	5.38	-60.49
O=C(C[NH+]1CCC(O)CC1)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028815810	1	56	0.0	-80.24	427.87	1.65	-78.59
C[N@H+](CC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028815811	0	52	0.0	-57.97	399.21	5.17	-52.80
C[N@@H+](CC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028815811	1	52	0.0	-73.01	403.80	4.50	-68.51
C[NH+]1CC(CC(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028815827	0	52	0.0	-62.08	401.38	4.59	-57.49
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028815838	0	58	0.0	-55.84	413.20	5.22	-50.62
CC(C)(C)[N@H+]1CCC1C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028815838	1	58	0.0	-71.45	419.92	3.99	-67.46
C[C@@H](C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028815849	0	51	0.0	-73.00	391.68	3.58	-69.42
[NH2+]=C1SC=CN1CC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028815908	0	48	0.0	-72.37	401.63	3.30	-69.07
C[N@H+](CCO)CCC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028815915	0	55	0.0	-64.20	420.39	1.76	-62.44
C[N@@H+](CCO)CCC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028815915	1	55	0.0	-77.12	424.78	1.07	-76.05
C[C@@H](C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028815916	0	51	0.0	-73.00	391.68	3.58	-69.42
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028815920	0	55	0.0	-56.22	402.44	5.21	-51.01
C[N@H+]1CCCC[C@@H]1C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028815920	1	55	0.0	-70.27	415.12	4.73	-65.54
O=C(C[NH+]1CCC1)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028815970	1	49	0.0	-58.67	380.04	4.22	-54.45
C[N@@H+]1CCC(=CC(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028815989	0	53	0.0	-69.52	407.49	5.30	-64.22
C[N@H+]1CCC(=CC(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028815989	1	53	0.0	-79.64	411.38	4.69	-74.95
C[NH+](C)CCOCC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816012	0	55	0.0	-77.08	430.26	4.15	-72.93
C=CCC(C)(C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028816026	0	58	0.0	-68.51	427.29	5.08	-63.43
C[S+](C)CCC(O)C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816030	0	54	0.0	-54.12	434.79	3.42	-50.70
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816049	0	56	0.0	-50.42	407.95	1.98	-48.44
CC1CN(CC(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028816068	0	52	0.0	-59.79	400.02	4.96	-54.83
CC1C[NH+](CC(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028816068	1	52	0.0	-59.79	400.02	4.96	-54.83
CN(CCO)CC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816086	0	52	0.0	-75.99	402.64	0.55	-75.44
C[N@H+](CCO)CC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816086	1	52	0.0	-76.51	402.45	0.55	-75.96
C[N@@H+](CCO)CC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816086	1	52	0.0	-76.51	402.45	0.55	-75.96
CC[N@@H+]1CCCC(C(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028816106	0	58	0.0	-75.43	436.60	5.38	-70.05
CC[N@H+]1CCCC(C(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028816106	1	58	0.0	-75.43	436.60	5.38	-70.05
CC(CC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300028816108	0	57	0.0	-78.33	431.79	5.12	-73.21
CC[N@H+](C)CC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816113	0	51	0.0	-75.34	392.29	3.79	-71.55
CC[N@H+](CC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028816146	0	55	0.0	-71.30	419.22	4.91	-66.39
CC[NH+](CC)CCC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816156	0	57	0.0	-77.57	427.81	4.74	-72.83
CC1(O)CC[N@H+](CC(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028816192	0	56	0.0	-58.32	426.42	2.19	-56.13
C[NH+](C)CC=CC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816196	0	52	0.0	-81.15	411.62	4.34	-76.81
CC(OCC[NH+](C)C)C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816205	0	58	0.0	-65.61	445.50	5.52	-60.09
C[NH+](C)CCOCCC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816211	0	58	0.0	-77.02	451.21	3.89	-73.13
COCCN(C)CC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816212	0	55	0.0	-76.44	424.70	2.96	-73.48
COCC[N@H+](C)CC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816212	1	55	0.0	-76.30	424.89	2.95	-73.35
COCC[N@@H+](C)CC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816212	1	55	0.0	-76.30	424.89	2.95	-73.35
C[NH+](C)C1(C(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300028816232	0	58	0.0	-59.36	412.20	6.52	-52.84
CC(CCC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028816234	0	57	0.0	-82.19	427.32	4.87	-77.32
CCN1CCC1C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816240	0	52	0.0	-57.33	395.16	4.51	-52.82
CC[N@@H+]1CCC1C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816240	1	52	0.0	-75.17	405.98	4.12	-71.05
CC[N@H+]1CCC1C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816240	1	52	0.0	-75.17	405.98	4.12	-71.05
O=C(C[N@H+]1CCCC1CO)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816253	0	56	0.0	-59.66	419.20	1.80	-57.86
C[NH+]1CCC(C)(C(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028816275	0	58	0.0	-72.03	431.63	5.18	-66.85
C=CCC(C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028816294	0	55	0.0	-62.39	417.96	5.39	-57.00
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816301	0	58	0.0	-53.62	430.23	5.32	-48.30
C[NH+](C)CCCCCC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816303	0	60	0.0	-79.07	461.25	6.02	-73.05
CCCC(C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028816324	0	57	0.0	-63.86	425.13	5.64	-58.22
C[NH+](C)C(C)(C)C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816327	0	54	0.0	-65.78	396.64	4.89	-60.89
C[N@@H+]1CCCCC1C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816353	0	55	0.0	-73.10	416.36	4.72	-68.38
C[N@H+]1CC=C(CC(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028816377	0	56	0.0	-65.15	428.74	6.06	-59.09
C[N@@H+]1CC=C(CC(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028816377	1	56	0.0	-65.15	428.74	6.06	-59.09
O=C(C=CC[NH+]1CCCC1)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816417	0	56	0.0	-80.00	436.69	5.51	-74.49
O=C(CC[NH+]1CCCC1)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816450	0	55	0.0	-78.41	421.11	4.71	-73.70
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCN1CC2	REAL300028816474	0	55	0.0	-82.03	410.75	1.58	-80.45
C[N@@H+]1CC2CC1(C(=O)NCC1CC3(CCC3)CN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300028816479	0	53	0.0	-49.09	387.95	5.71	-43.38
O=C(C[N@@H+]1CC2CCC1C2)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816486	0	56	0.0	-73.61	420.75	5.18	-68.43
O=C(C[N@H+]1CC2CCC1C2)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816486	1	56	0.0	-73.61	420.75	5.18	-68.43
O=C(CN1CC2C=CC1C2)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816526	0	54	0.0	-70.64	412.32	4.99	-65.65
O=C(C[N@@H+]1CC2C=CC1C2)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816526	1	54	0.0	-55.91	409.04	5.63	-50.28
O=C(C[N@H+]1CC2C=CC1C2)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816526	1	54	0.0	-55.91	409.04	5.63	-50.28
CC(C[NH+](C)C)C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816558	0	54	0.0	-64.03	408.12	5.02	-59.01
C[N@@H+]1CCCCC1CC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816608	0	58	0.0	-59.39	421.21	6.02	-53.37
C[N@H+]1CCCCC1CC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816608	1	58	0.0	-59.39	421.21	6.02	-53.37
CC(C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)N1CC(C)C1	REAL300028816618	0	55	0.0	-72.76	423.54	4.77	-67.99
CC(C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300028816618	1	55	0.0	-72.76	423.54	4.77	-67.99
CC1CCN1CC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816620	0	52	0.0	-73.58	400.15	3.91	-69.67
CC1CC[N@@H+]1CC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816620	1	52	0.0	-73.90	404.87	4.19	-69.71
CC1CC[N@H+]1CC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816620	1	52	0.0	-73.90	404.87	4.19	-69.71
C[NH+](C)CC(O)CC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816623	0	55	0.0	-82.52	426.86	2.11	-80.41
CC1CN(C)CC(C(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300028816643	0	56	0.0	-75.05	424.98	4.16	-70.89
CC1C[N@H+](C)CC(C(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300028816643	1	56	0.0	-92.54	432.96	4.28	-88.26
CC1C[N@@H+](C)CC(C(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300028816643	1	56	0.0	-92.54	432.96	4.28	-88.26
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028816690	0	55	0.0	-79.07	423.91	4.83	-74.24
CC(CC[NH+](C)C)C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816696	0	57	0.0	-66.43	429.73	5.64	-60.79
CN1CCN(CC(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028816715	0	57	0.0	-75.88	433.36	2.60	-73.28
C[NH+]1CCN(CC(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028816715	1	57	0.0	-75.88	433.36	2.60	-73.28
NC(=[NH2+])SCC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816739	0	46	0.0	-79.31	382.92	-0.03	-79.34
C[NH+](C)CCC1(C(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028816768	0	58	0.0	-63.52	442.59	6.87	-56.65
C[N@@H+]1CC=CCC1CC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816769	0	56	0.0	-66.41	419.67	5.12	-61.29
C[N@H+]1CC=CCC1CC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816769	1	56	0.0	-66.41	419.67	5.12	-61.29
C[C@@H](OCC[NH+](C)C)C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816782	0	58	0.0	-75.21	450.00	4.85	-70.36
CCC1C[NH+](CC(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028816868	1	55	0.0	-76.86	426.66	4.94	-71.92
C[N@@H+]1CCC[C@H]1C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816873	0	52	0.0	-71.95	400.46	4.13	-67.82
C[N@H+]1CCC[C@H]1C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816873	1	52	0.0	-76.04	394.45	3.64	-72.40
O=C(CC[N@H+]1CCC(F)C1)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816879	0	55	0.0	-65.09	424.40	5.62	-59.47
O=C(CC[N@@H+]1CCC(F)C1)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816879	1	55	0.0	-65.99	424.54	5.56	-60.43
O=C(C[NH+]1CCCCC1)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816892	0	55	0.0	-75.18	416.77	4.97	-70.21
CC1C(C(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028816898	0	55	0.0	-73.56	419.57	4.67	-68.89
CC1C(C(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028816898	1	55	0.0	-77.87	410.84	4.43	-73.44
C[N@@H+]1CCOCC1CC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816927	1	56	0.0	-67.87	420.43	3.53	-64.34
C[N@H+]1CCOCC1CC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816927	1	56	0.0	-83.39	424.63	2.93	-80.46
C[N@@H+]1CCCC1C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028817098	0	52	0.0	-70.97	395.76	3.70	-67.27
C[N@H+]1CCCC1C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028817098	1	52	0.0	-71.31	395.10	3.68	-67.63
O=C(CC[NH+]1CCOCC1)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028817277	1	56	0.0	-76.20	431.96	3.29	-72.91
O=C(NCC1CC2(CCC2)CN1C(=O)C12CCC[NH+]1CCC2)C1=CC(=O)[N-]O1	REAL300028817289	0	56	0.0	-60.75	409.82	5.53	-55.22
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC(=O)[N-]O1	REAL300028817295	1	50	0.0	-76.33	396.32	7.26	-69.07
C[N@@H+]1CCC(CC(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028817326	0	55	0.0	-73.77	423.69	4.86	-68.91
C[N@H+]1CCC(CC(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028817326	1	55	0.0	-65.64	419.01	5.52	-60.12
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028817332	0	54	0.0	-79.63	417.34	4.53	-75.10
CCC(C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028817334	0	54	0.0	-62.03	401.14	5.04	-56.99
C[NH+](C)CCCCC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028817372	0	57	0.0	-74.52	442.06	5.41	-69.11
CC(C)C(C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028817388	0	57	0.0	-68.90	417.38	4.59	-64.31
CCC[N@H+](C)CCC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028817389	0	57	0.0	-74.27	438.29	5.24	-69.03
CCC[N@@H+](C)CCC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028817389	1	57	0.0	-65.88	434.06	5.85	-60.03
CCC[N@H+](C)CC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028817393	0	54	0.0	-71.32	415.92	4.64	-66.68
CCC[N@@H+](C)CC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028817393	1	54	0.0	-70.60	416.18	4.62	-65.98
O=C(NCC1CC2(CCC2)CN1C(=O)C12CC[N@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300028817408	0	56	0.0	-68.35	406.50	4.97	-63.38
O=C(NCC1CC2(CCC2)CN1C(=O)C12CC[N@@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300028817408	1	56	0.0	-68.81	404.93	5.09	-63.72
CC1CC[NH+](CC(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028817441	0	58	0.0	-71.35	439.58	5.69	-65.66
C[NH+](C)CC1(C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028817482	0	55	0.0	-68.00	421.93	5.60	-62.40
CC[N@H+](C)CCC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028817501	0	54	0.0	-73.47	416.79	4.50	-68.97
CC[N@@H+](C)CCC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028817501	1	54	0.0	-73.44	416.79	4.48	-68.96
O=C(NCC1CC2(CCC2)CN1C(=O)C1C[NH+]2CCC1CC2)C1=CC(=O)[N-]O1	REAL300028817519	0	56	0.0	-80.45	414.01	4.81	-75.64
C[NH+]1CCC(C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028817568	0	55	0.0	-71.87	413.73	5.43	-66.44
CC(C)[C@H](C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028817584	0	57	0.0	-68.49	421.70	4.78	-63.71
CC[NH+](CC)CC(F)C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028817644	0	57	0.0	-72.45	433.24	4.81	-67.64
C[NH+](C)C1(C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300028817665	0	55	0.0	-71.78	400.29	5.11	-66.67
CCC(C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300028817693	0	60	0.0	-65.15	435.94	5.07	-60.08
CC1CCC[N@@H+]1CC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028817704	0	55	0.0	-67.29	423.04	4.89	-62.40
CC1CCC[N@H+]1CC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028817704	1	55	0.0	-59.95	417.80	5.65	-54.30
CC(C)[N@@H+]1CCCC1C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028817750	0	58	0.0	-66.02	435.44	5.20	-60.82
CC(C)[N@H+]1CCCC1C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028817750	1	58	0.0	-66.73	431.91	5.20	-61.53
CC(C)[C@@H](C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028817759	0	57	0.0	-69.81	419.14	4.74	-65.07
CC1CC[N@H+](CC(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028817773	0	55	0.0	-70.23	422.58	4.94	-65.29
CC1CC[N@@H+](CC(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028817773	1	55	0.0	-70.50	422.57	4.96	-65.54
CC1(C)CC[N@H+](CC(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028817777	0	58	0.0	-59.53	437.88	6.17	-53.36
CC1(C)CC[N@@H+](CC(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028817777	1	58	0.0	-70.67	442.04	5.49	-65.18
C[N@H+](CC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300028817778	0	60	0.0	-70.72	444.03	5.63	-65.09
C[N@@H+](CC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300028817778	1	60	0.0	-64.19	442.16	6.52	-57.67
CC[C@@H](C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028817786	0	54	0.0	-59.89	401.78	4.98	-54.91
CC1=[NH+]C=CN1CC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028817907	1	50	0.0	-66.67	406.13	4.85	-61.82
CC[N@@H+]1CCOC(C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028817971	1	56	0.0	-81.98	426.96	4.08	-77.90
CC[N@H+]1CCOC(C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028817971	1	56	0.0	-71.99	415.91	4.58	-67.41
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC(=O)[N-]O1	REAL300028818001	0	50	0.0	-68.80	397.44	7.20	-61.60
CC1=C[NH+]=CN1CC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818004	1	50	0.0	-70.36	406.46	5.58	-64.78
C[C@@H]1[C@H](C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028818011	0	55	0.0	-72.15	413.41	4.41	-67.74
C[C@@H]1[C@H](C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028818011	1	55	0.0	-72.11	416.03	4.98	-67.13
CC[C@@H]1[C@@H](C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028818013	0	58	0.0	-72.39	430.90	4.75	-67.64
CC[C@@H]1[C@@H](C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028818013	1	58	0.0	-69.77	434.80	5.25	-64.52
CC1CCC(C)[NH+]1CC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818020	0	58	0.0	-59.50	429.60	5.75	-53.75
O=C(CCC[NH+]1CCCC1)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818023	0	58	0.0	-72.06	446.85	5.76	-66.30
O=C(CC[NH+]1CCCCC1)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818027	0	58	0.0	-72.69	440.70	5.70	-66.99
CC[N@@H+]1CCCCC1C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818030	0	58	0.0	-66.80	433.56	5.37	-61.43
CC[N@H+]1CCCCC1C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818030	1	58	0.0	-61.85	430.56	6.47	-55.38
C[N@H+](CC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300028818128	0	55	0.0	-68.34	423.04	5.20	-63.14
C[N@@H+](CC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300028818128	1	55	0.0	-69.22	422.93	5.23	-63.99
C[NH+]1CCC(C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028818159	0	55	0.0	-71.87	413.73	5.43	-66.44
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818189	0	52	0.0	-70.92	396.03	3.71	-67.21
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818189	1	52	0.0	-59.68	395.08	5.00	-54.68
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818207	1	54	0.0	-67.47	421.76	4.94	-62.53
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818207	1	54	0.0	-68.98	425.80	5.34	-63.64
C[N@@H+]1CCCC1CCC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818212	0	58	0.0	-61.92	434.43	5.89	-56.03
C[N@H+]1CCCC1CCC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818212	1	58	0.0	-70.45	438.21	5.26	-65.19
C[N@@H+]1CCCCC1C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818286	0	55	0.0	-57.85	412.07	5.47	-52.38
C[N@H+]1CCCCC1C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818286	1	55	0.0	-59.86	412.53	5.63	-54.23
CC1C(C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028818344	0	55	0.0	-73.33	412.38	4.21	-69.12
CC1C(C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028818344	1	55	0.0	-61.60	408.81	4.86	-56.74
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818400	0	58	0.0	-68.36	437.51	4.91	-63.45
CC(C)(C)[N@H+]1CCC1C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818400	1	58	0.0	-63.37	411.33	5.80	-57.57
C[C@@H](C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028818414	0	51	0.0	-69.59	392.18	3.56	-66.03
C=CCC(C)(C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028818428	0	58	0.0	-57.21	418.06	5.58	-51.63
O=C(CC[NH+]1CCCC1)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818445	0	55	0.0	-72.50	425.31	4.96	-67.54
C[N@H+](CCO)CC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818454	1	52	0.0	-71.01	405.03	0.65	-70.36
C[N@@H+](CCO)CC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818454	1	52	0.0	-71.57	404.56	0.68	-70.89
C[N@H+]1CC=C(CC(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028818512	0	56	0.0	-69.45	435.84	5.60	-63.85
C[N@@H+]1CC=C(CC(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028818512	1	56	0.0	-66.88	436.08	5.57	-61.31
C[S+](C)CCC(O)C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818522	0	54	0.0	-76.29	432.46	3.57	-72.72
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818535	0	56	0.0	-77.39	410.62	2.07	-75.32
C[N@H+]1CC(O)CC1(C)C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818535	1	56	0.0	-76.93	408.97	2.01	-74.92
CC1C[NH+](CC(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028818565	1	52	0.0	-63.11	403.71	4.99	-58.12
CC[N@@H+]1CCCC(C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028818571	0	58	0.0	-54.68	424.70	6.30	-48.38
CC[N@H+]1CCCC(C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028818571	1	58	0.0	-55.72	423.90	6.53	-49.19
NC1=[NH+]C=CC=C1CC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818575	0	51	0.0	-65.70	410.94	3.07	-62.63
O=C(NCC1CC2(CCC2)CN1C(=O)C1CCC[N@@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300028818583	0	56	0.0	-71.61	427.92	5.18	-66.43
O=C(NCC1CC2(CCC2)CN1C(=O)C1CCC[N@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300028818583	1	56	0.0	-69.81	425.40	5.02	-64.79
O=C(C=CC[NH+]1CCCC1)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818613	0	56	0.0	-75.65	437.84	5.65	-70.00
CC[N@H+](C)CC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818658	0	51	0.0	-70.92	394.43	3.91	-67.01
O=C(CN1CC2C=CC1C2)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818693	0	54	0.0	-69.55	415.84	5.22	-64.33
O=C(C[N@@H+]1CC2C=CC1C2)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818693	1	54	0.0	-67.37	415.56	5.12	-62.25
O=C(C[N@H+]1CC2C=CC1C2)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818693	1	54	0.0	-67.37	415.56	5.12	-62.25
CC(OCC[NH+](C)C)C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818780	0	58	0.0	-71.89	446.83	4.70	-67.19
C[NH+](C)CCOCCC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818787	0	58	0.0	-72.58	453.79	4.03	-68.55
COCCN(C)CC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818789	0	55	0.0	-71.17	426.81	3.08	-68.09
COCC[N@H+](C)CC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818789	1	55	0.0	-71.34	427.28	3.05	-68.29
COCC[N@@H+](C)CC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818789	1	55	0.0	-71.34	427.28	3.05	-68.29
CC(CCC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028818792	0	57	0.0	-77.58	430.15	5.00	-72.58
CC[N@H+](CC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028818808	0	55	0.0	-70.23	418.43	5.16	-65.07
C[N@@H+]1CC2CC1(C(=O)N1CC3(CCC3)CC1CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028818835	0	53	0.0	-73.62	395.08	5.38	-68.24
O=C(C[N@@H+]1CC2CCC1C2)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818844	0	56	0.0	-61.23	419.27	6.09	-55.14
O=C(C[N@H+]1CC2CCC1C2)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818844	1	56	0.0	-61.23	419.27	6.09	-55.14
CC(C[NH+](C)C)C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818859	0	54	0.0	-73.47	410.35	4.21	-69.26
C[NH+](C)C1(C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028818870	0	52	0.0	-66.50	395.27	4.53	-61.97
C[C@H](C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028818891	0	51	0.0	-69.16	392.75	3.56	-65.60
CC[N@@H+]1CCC1C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818896	1	52	0.0	-68.26	400.04	3.72	-64.54
CC[N@H+]1CCC1C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818896	1	52	0.0	-70.52	408.10	4.23	-66.29
CCC(C)(C)[NH2+]C(C)C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818907	0	60	0.0	-67.02	437.56	3.48	-63.54
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818934	1	54	0.0	-61.62	421.49	4.87	-56.75
NC1=CC=[NH+]C=C1C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818935	0	48	0.0	-69.77	379.56	2.03	-67.74
CCCC(C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028818943	0	57	0.0	-55.69	420.89	5.37	-50.32
C[NH+](C)C(C)(C)C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818948	0	54	0.0	-71.49	392.30	4.48	-67.01
CC(CC[NH+](C)C)C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818962	0	57	0.0	-73.15	432.01	4.85	-68.30
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819024	0	58	0.0	-62.40	431.00	5.72	-56.68
C[N@H+]1CC(C)(C)CC1C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819024	1	58	0.0	-67.02	436.43	4.79	-62.23
C[NH+](C)CCCCCC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819026	0	60	0.0	-73.58	463.56	6.19	-67.39
C[NH+]1CCN(CC(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028819033	1	57	0.0	-70.17	435.97	2.72	-67.45
CC1C[N@H+](C)CC(C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300028819086	1	56	0.0	-83.31	423.63	4.13	-79.18
CC1C[N@@H+](C)CC(C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300028819086	1	56	0.0	-85.61	430.14	4.15	-81.46
O=C(C[NH+]1CC2CC2C1)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819117	0	53	0.0	-71.45	412.03	5.12	-66.33
C[N@@H+]1CCCCC1C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819144	0	55	0.0	-57.85	412.07	5.47	-52.38
C[N@H+]1CCCCC1C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819144	1	55	0.0	-59.86	412.53	5.63	-54.23
C[N@@H+]1CCC(=CC(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028819218	0	53	0.0	-74.65	415.14	4.76	-69.89
C[N@H+]1CCC(=CC(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028819218	1	53	0.0	-75.02	414.24	4.78	-70.24
O=C(CNC1=CC=[NH+]C=C1)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819221	0	51	0.0	-72.21	412.41	2.53	-69.68
C[NH+](C)C1(C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300028819284	0	58	0.0	-74.50	410.02	5.38	-69.12
CCC1C[NH+](CC(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028819293	1	55	0.0	-72.37	428.99	5.05	-67.32
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819303	0	52	0.0	-68.33	399.78	4.09	-64.24
C[N@H+]1CCC[C@H]1C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819303	1	52	0.0	-55.82	388.13	4.63	-51.19
NC1=CC=C(CCC(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C=[NH+]1	REAL300028819347	0	54	0.0	-70.72	436.03	3.73	-66.99
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028819398	0	55	0.0	-73.65	426.15	4.95	-68.70
C[NH+](C)CCC1(C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028819407	0	58	0.0	-71.53	444.45	6.31	-65.22
C[N@@H+]1CC=CCC1CC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819408	0	56	0.0	-64.99	424.26	5.96	-59.03
C[N@H+]1CC=CCC1CC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819408	1	56	0.0	-63.17	422.67	5.24	-57.93
C[NH+](C)CCOCC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819444	0	55	0.0	-70.44	432.57	4.30	-66.14
[NH2+]=C1SC=CN1CC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819472	0	48	0.0	-53.78	399.92	4.09	-49.69
C[C@@H](OCC[NH+](C)C)C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819514	0	58	0.0	-57.40	443.94	5.55	-51.85
C[N@@H+]1CCCC(C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028819544	0	55	0.0	-73.01	416.32	4.54	-68.47
C[N@H+]1CCCC(C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028819544	1	55	0.0	-73.01	416.32	4.54	-68.47
O=C(C[NH+]1CCCCCC1)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819545	0	58	0.0	-70.05	427.66	5.28	-64.77
CN1C=C[N+](CC(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300028819549	0	50	0.0	-68.27	408.18	6.74	-61.53
O=C(CN1CCC(O)CC1)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819572	0	56	0.0	-74.93	429.83	1.72	-73.21
O=C(C[NH+]1CCC(O)CC1)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819572	1	56	0.0	-74.93	429.83	1.72	-73.21
C[N@H+](CC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028819574	0	52	0.0	-68.72	406.10	4.65	-64.07
O=C(CC[N@H+]1CCC(F)C1)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819577	0	55	0.0	-68.74	426.66	5.70	-63.04
CC(CC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300028819598	0	57	0.0	-73.52	433.88	5.27	-68.25
CN1CCOCC1CC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819617	0	56	0.0	-68.50	422.73	3.69	-64.81
C[N@@H+]1CCOCC1CC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819617	1	56	0.0	-79.19	428.05	3.05	-76.14
C[N@H+]1CCOCC1CC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819617	1	56	0.0	-79.19	428.05	3.05	-76.14
CC1=CC(N)=NC=C1C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819657	0	51	0.0	-72.29	401.54	3.55	-68.74
CC1=CC(N)=[NH+]C=C1C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819657	1	51	0.0	-72.29	401.54	3.55	-68.74
CC1(O)CC[N@H+](CC(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028819687	0	56	0.0	-62.24	428.43	2.28	-59.96
C[NH+]1CC(CC(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028819715	0	52	0.0	-62.19	403.77	4.70	-57.49
C[N@H+](CCO)CCC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819745	0	55	0.0	-72.73	426.99	1.30	-71.43
C[N@@H+](CCO)CCC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819745	1	55	0.0	-72.73	426.99	1.30	-71.43
C[N@@H+]1CCCCC1CC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819763	0	58	0.0	-74.61	435.46	5.47	-69.14
C[N@H+]1CCCCC1CC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819763	1	58	0.0	-74.61	435.46	5.47	-69.14
CC1CCN1CC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819778	0	52	0.0	-58.95	398.89	4.78	-54.17
CC1CC[N@@H+]1CC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819778	1	52	0.0	-60.55	398.26	4.69	-55.86
CC1CC[N@H+]1CC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819778	1	52	0.0	-60.55	398.26	4.69	-55.86
C[NH+](C)CC=CC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819786	0	52	0.0	-76.93	412.76	4.48	-72.45
CC1(C)CN(CC(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028819792	0	55	0.0	-71.73	427.30	4.87	-66.86
CC1(C)C[NH+](CC(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028819792	1	55	0.0	-71.73	427.30	4.87	-66.86
C[NH+](C)CCSCC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819814	0	55	0.0	-77.93	443.59	5.23	-72.70
O=C(C[N@H+]1CCCC1CO)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819833	0	56	0.0	-63.22	425.45	2.43	-60.79
CC[NH+](CC)CC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819837	0	54	0.0	-69.61	407.83	4.33	-65.28
O=C(CN1CCC1)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819846	0	49	0.0	-71.64	386.99	3.73	-67.91
O=C(C[NH+]1CCC1)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819846	1	49	0.0	-71.64	386.99	3.73	-67.91
CC[NH+](CC)CCC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819877	0	57	0.0	-72.81	430.26	4.93	-67.88
CC(C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300028819936	1	52	0.0	-68.59	401.35	4.01	-64.58
CCC(CC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300028819941	0	60	0.0	-79.79	451.47	5.88	-73.91
NC1=CC=C(C=CC(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C=[NH+]1	REAL300028819946	0	52	0.0	-76.95	422.89	3.43	-73.52
C[NH+](C)CC(C)(C)C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819947	0	57	0.0	-59.57	407.30	5.04	-54.53
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819984	0	55	0.0	-65.28	404.53	5.37	-59.91
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819984	1	55	0.0	-67.63	417.80	4.81	-62.82
C[NH+](C)CC(O)CC(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028820008	0	55	0.0	-77.30	429.31	2.27	-75.03
C=CCC(C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028820030	0	55	0.0	-54.77	412.05	5.06	-49.71
C[NH+]1CCC(C)(C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028820043	0	58	0.0	-65.90	419.86	5.50	-60.40
C[NH+](C)CCSCC(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028820106	0	55	0.0	-83.28	441.29	5.03	-78.25
C[N@@H+]1CCCC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028820252	0	43	0.0	-70.55	340.13	1.96	-68.59
C[N@H+]1CCCC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028820252	1	43	0.0	-74.28	336.84	1.71	-72.57
C[N@@H+]1CCOC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028820276	1	44	0.0	-88.74	352.57	1.53	-87.21
C[N@H+]1CCOC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028820276	1	44	0.0	-65.55	345.44	1.32	-64.23
CC(C)C1=[NH+]C=CN1CCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028820478	1	50	0.0	-69.77	404.35	4.35	-65.42
CC(C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300028820486	0	52	0.0	-54.49	386.44	3.61	-50.88
CC(C)[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028820489	0	52	0.0	-68.01	389.57	3.65	-64.36
CC(C)[N@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028820489	1	52	0.0	-67.39	390.35	3.64	-63.75
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028820525	0	49	0.0	-70.04	374.42	3.16	-66.88
CC(C)[N@H+]1CCCC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028820525	1	49	0.0	-73.12	368.82	3.66	-69.46
O=C(N[C@]12C[C@H]1CN(C(=O)C1CC3CCCC[N@@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300028820555	0	50	0.0	-74.59	383.11	3.76	-70.83
O=C(N[C@]12C[C@H]1CN(C(=O)C1CC3CCCC[N@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300028820555	1	50	0.0	-74.52	384.67	3.77	-70.75
CC(C)C1=[NH+]C=CN1CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028820595	1	47	0.0	-69.49	388.14	3.98	-65.51
CC1=[NH+]C=CN1CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028820657	1	41	0.0	-70.33	348.46	2.82	-67.51
CC(C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028820659	0	50	0.0	-78.57	389.87	1.80	-76.77
O=C(CCC[NH+]1CCCCC1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028820682	0	52	0.0	-77.11	404.28	4.45	-72.66
CC(C)(C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300028820723	0	52	0.0	-53.57	381.07	3.99	-49.58
O=C(N[C@]12C[C@H]1CN(C(=O)C1CC[N@@H+](C3CCCCC3)C1)C2)C1=CC(=O)[N-]O1	REAL300028820726	0	56	0.0	-74.90	419.96	4.97	-69.93
O=C(N[C@]12C[C@H]1CN(C(=O)C1CC[N@H+](C3CCCCC3)C1)C2)C1=CC(=O)[N-]O1	REAL300028820726	1	56	0.0	-75.58	421.64	4.96	-70.62
O=C(N[C@]12C[C@H]1CN(C(=O)C1C[NH+]3CCC1CC3)C2)C1=CC(=O)[N-]O1	REAL300028820744	0	47	0.0	-82.75	356.01	2.73	-80.02
O=C(N[C@]12C[C@H]1CN(C(=O)C1CCCC3CCC[N@@H+]31)C2)C1=CC(=O)[N-]O1	REAL300028820811	0	50	0.0	-74.24	374.75	3.55	-70.69
O=C(N[C@]12C[C@H]1CN(C(=O)C1CCCC3CCC[N@H+]31)C2)C1=CC(=O)[N-]O1	REAL300028820811	1	50	0.0	-68.35	383.90	3.86	-64.49
C[NH+](C)CCN1C=C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300028820814	0	49	0.0	-83.29	398.15	2.32	-80.97
C[NH+](C)CCN1C=CC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300028820831	0	49	0.0	-92.06	400.28	2.94	-89.12
C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028820839	0	46	0.0	-81.24	353.21	2.13	-79.11
C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028820839	1	46	0.0	-77.96	359.18	2.79	-75.17
CCC1=[NH+]C=CN1C(C)CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028820843	1	50	0.0	-70.67	404.46	4.43	-66.24
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028820846	0	49	0.0	-78.77	373.58	2.74	-76.03
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028820846	1	49	0.0	-78.47	378.62	3.11	-75.36
CC[N@@H+]1CCOC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028820876	1	47	0.0	-62.03	369.99	2.13	-59.90
CC[N@H+]1CCOC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028820876	1	47	0.0	-89.05	369.72	2.11	-86.94
CC[NH+](CC)CC(F)C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028820952	0	48	0.0	-76.70	374.19	2.78	-73.92
C[NH+](C)CC1=C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)SC=C1	REAL300028820953	0	46	0.0	-60.60	379.75	3.33	-57.27
C[N@@H+]1CCCC1C1=CC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)=NN1	REAL300028821007	1	50	0.0	-82.44	395.82	2.11	-80.33
C[N@H+]1CCCC1C1=CC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)=NN1	REAL300028821007	1	50	0.0	-78.79	394.23	1.93	-76.86
CC1CCC(C)[NH+]1CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028821082	0	49	0.0	-70.83	376.53	3.24	-67.59
O=C(CCC[NH+]1CCCC1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028821093	0	49	0.0	-76.38	388.73	3.72	-72.66
C[NH+](C)CC1=CC=CC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300028821094	0	49	0.0	-78.75	393.15	4.28	-74.47
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028821104	0	48	0.0	-62.10	388.05	3.94	-58.16
O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028821106	0	49	0.0	-76.23	382.91	3.62	-72.61
C[NH+](C)CC1=CC=CC=C1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028821110	0	49	0.0	-68.98	392.56	4.38	-64.60
CC[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028821122	0	49	0.0	-70.21	365.61	2.95	-67.26
CC[N@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028821122	1	49	0.0	-74.40	368.88	3.11	-71.29
CC(C)C(C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300028821123	0	55	0.0	-69.96	402.51	4.63	-65.33
C[NH+](C)C(C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300028821127	1	49	0.0	-72.90	391.12	4.45	-68.45
CC(C)C[N@@H+]1CCC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028821154	0	52	0.0	-76.90	401.69	4.04	-72.86
CC(C)C[N@H+]1CCC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028821154	1	52	0.0	-76.82	400.58	3.98	-72.84
C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300028821158	0	46	0.0	-74.91	348.08	2.22	-72.69
O=C(N[C@]12C[C@H]1CN(C(=O)C1CCC[N@@H+]1C1CCOCC1)C2)C1=CC(=O)[N-]O1	REAL300028821161	0	54	0.0	-76.28	401.81	3.10	-73.18
O=C(N[C@]12C[C@H]1CN(C(=O)C1CCC[N@H+]1C1CCOCC1)C2)C1=CC(=O)[N-]O1	REAL300028821161	1	54	0.0	-78.11	402.14	3.11	-75.00
C[NH+](C)C(CN1C=CC=N1)C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028821163	1	49	0.0	-83.56	389.97	2.90	-80.66
CC(C)[N@@H+]1CCCC1CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028821170	0	52	0.0	-67.91	390.61	3.34	-64.57
CC(C)[N@H+]1CCCC1CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028821170	1	52	0.0	-66.60	388.92	3.31	-63.29
O=C(N[C@]12C[C@H]1CN(C(=O)C1CCC[N@@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300028821171	0	53	0.0	-74.96	393.85	4.87	-70.09
O=C(N[C@]12C[C@H]1CN(C(=O)C1CCC[N@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300028821171	1	53	0.0	-70.29	403.12	4.59	-65.70
CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028821201	0	48	0.0	-70.78	356.07	2.88	-67.90
C[N@H+](CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300028821274	0	46	0.0	-71.07	365.11	3.15	-67.92
C[N@@H+](CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300028821274	1	46	0.0	-71.76	365.02	3.14	-68.62
CC(C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300028821379	0	52	0.0	-69.82	376.52	2.96	-66.86
CN(CCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300028821464	0	48	0.0	-74.84	393.80	2.91	-71.93
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028821478	1	45	0.0	-71.98	363.77	2.89	-69.09
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028821478	1	45	0.0	-72.45	367.35	3.33	-69.12
C[N@@H+]1CCCC1CCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028821490	0	49	0.0	-74.77	380.65	3.23	-71.54
C[N@H+]1CCCC1CCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028821490	1	49	0.0	-75.46	380.46	3.26	-72.20
O=C(N[C@]12C[C@H]1CN(C(=O)C13CCC[NH+](CCC1)C3)C2)C1=CC(=O)[N-]O1	REAL300028821508	0	50	0.0	-76.48	367.20	2.89	-73.59
O=C(N[C@]12C[C@H]1CN(C(=O)C1CCC3CCCC[N@@H+]31)C2)C1=CC(=O)[N-]O1	REAL300028821516	0	50	0.0	-69.60	385.39	3.96	-65.64
O=C(N[C@]12C[C@H]1CN(C(=O)C1CCC3CCCC[N@H+]31)C2)C1=CC(=O)[N-]O1	REAL300028821516	1	50	0.0	-69.55	383.00	4.01	-65.54
CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028821528	0	53	0.0	-75.95	393.13	1.86	-74.09
CC[NH+](CC)CC1=CC=C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028821545	0	52	0.0	-83.44	416.21	4.43	-79.01
O=C(CCCC[NH+]1CCCC1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028821550	0	52	0.0	-77.84	410.18	4.52	-73.32
C[N@H+](CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300028821553	1	49	0.0	-78.99	395.72	4.79	-74.20
C[N@@H+](CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300028821553	1	49	0.0	-79.19	395.78	4.81	-74.38
C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028821571	0	46	0.0	-62.67	362.85	2.75	-59.92
C[NH+](C)CC1=CC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300028821644	1	45	0.0	-81.38	373.56	2.39	-78.99
CC1=C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300028821646	0	44	0.0	-80.87	370.84	4.79	-76.08
C[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028821705	0	46	0.0	-71.26	347.86	2.28	-68.98
C[N@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028821705	1	46	0.0	-69.29	359.13	2.74	-66.55
CC(C)C[N@@H+]1CCCC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028821742	0	52	0.0	-72.28	396.29	3.83	-68.45
CC(C)C[N@H+]1CCCC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028821742	1	52	0.0	-72.93	396.05	3.82	-69.11
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CN3C=[NH+]C=C3C=C1)C2)C1=CC(=O)[N-]O1	REAL300028821931	0	41	0.0	-77.09	345.65	4.28	-72.81
CC1=[NH+]C=CN1CCCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028821947	1	47	0.0	-73.67	389.76	4.12	-69.55
O=C(CCCC[NH+]1CCOCC1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028821951	1	53	0.0	-81.37	417.30	2.83	-78.54
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300028821957	0	49	0.0	-67.84	393.24	4.26	-63.58
O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028821958	1	47	0.0	-79.94	373.54	1.19	-78.75
C[NH+](C)C(C)(C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300028821980	0	52	0.0	-73.11	390.86	4.31	-68.80
CCC[NH+](CCC)CCCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028821988	0	57	0.0	-77.18	441.63	5.46	-71.72
CC[N@H+](C)C(C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300028821989	0	52	0.0	-72.01	409.16	5.15	-66.86
CC[N@@H+](C)C(C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300028821989	1	52	0.0	-69.74	410.25	5.27	-64.47
CC1=C[NH+]=CN1CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028822016	1	41	0.0	-73.79	348.66	3.51	-70.28
O=C(CN1C=[NH+]C2=C1CCCC2)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028822030	1	48	0.0	-74.06	390.26	5.25	-68.81
C[NH+](C)CC1(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CCCCC1	REAL300028822078	0	55	0.0	-74.53	397.92	4.08	-70.45
C[NH+](C)CCC1=CC=CC=C1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028822079	0	52	0.0	-59.06	413.46	5.09	-53.97
C[N@H+](CCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300028822086	0	55	0.0	-78.65	417.19	4.82	-73.83
C[N@@H+](CCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300028822086	1	55	0.0	-78.40	417.20	4.83	-73.57
O=C(N[C@]12C[C@H]1CN(C(=O)C13CCC[NH+]1CCC3)C2)C1=CC(=O)[N-]O1	REAL300028822092	0	47	0.0	-69.40	357.31	2.61	-66.79
C[NH+](C)C1CCCC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028822136	0	52	0.0	-58.72	397.25	3.95	-54.77
C[N@@H+]1CCC(CC(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028822143	0	46	0.0	-78.03	365.90	2.78	-75.25
C[N@H+]1CCC(CC(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028822143	1	46	0.0	-78.49	364.33	2.82	-75.67
CN(C)C1=CC=[NH+]C=C1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028822157	0	45	0.0	-86.13	368.62	1.23	-84.90
CCC(C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028822163	0	45	0.0	-69.43	346.14	2.03	-67.40
C[NH+](C)C1(CC(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300028822188	0	52	0.0	-80.35	382.93	3.68	-76.67
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC3=C[NH+]=CN3C=C1)C2)C1=CC(=O)[N-]O1	REAL300028822267	1	41	0.0	-81.99	353.48	4.60	-77.39
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NN(C3=CC=[NH+]C=C3)C=C1)C2)C1=CC(=O)[N-]O1	REAL300028822316	1	44	0.0	-89.41	375.28	2.87	-86.54
C[NH+](C)CCCCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028822352	0	48	0.0	-79.47	384.43	3.37	-76.10
CC(C)C(C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028822377	0	48	0.0	-71.93	362.33	2.76	-69.17
CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028822379	0	48	0.0	-78.27	380.67	3.21	-75.06
CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028822379	1	48	0.0	-78.21	380.67	3.22	-74.99
CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028822386	0	45	0.0	-74.28	358.29	2.62	-71.66
CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028822386	1	45	0.0	-74.36	358.30	2.63	-71.73
O=C(N[C@]12C[C@H]1CN(C(=O)C13CC[N@H+](C1)CCC3)C2)C1=CC(=O)[N-]O1	REAL300028822419	0	47	0.0	-55.89	351.63	2.05	-53.84
O=C(N[C@]12C[C@H]1CN(C(=O)C13CC[N@@H+](C1)CCC3)C2)C1=CC(=O)[N-]O1	REAL300028822419	1	47	0.0	-57.89	352.74	2.04	-55.85
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028822495	0	43	0.0	-72.37	337.06	1.70	-70.67
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028822495	1	43	0.0	-71.07	341.68	2.04	-69.03
CC1CC2CCC(C(=O)N3C[C@@H]4C[C@]4(NC(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300028822526	0	53	0.0	-72.58	399.43	4.54	-68.04
CC1CC2CCC(C(=O)N3C[C@@H]4C[C@]4(NC(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300028822526	1	53	0.0	-67.69	397.11	4.40	-63.29
CCCCCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028822586	0	54	0.0	-75.47	422.79	4.96	-70.51
CCCCCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028822586	1	54	0.0	-75.59	422.79	4.97	-70.62
CC[NH+](CC)C(C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300028822598	0	54	0.0	-73.42	392.51	4.34	-69.08
CC[NH+](CC)CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028822611	0	45	0.0	-72.77	350.61	2.30	-70.47
CCC[N@@H+]1CCCC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028822644	0	52	0.0	-75.03	398.65	3.94	-71.09
CCC[N@H+]1CCCC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028822644	1	52	0.0	-56.19	402.55	4.15	-52.04
O=C(N[C@]12C[C@H]1CN(C(=O)C1CCCC[N@@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300028822657	0	56	0.0	-69.31	414.51	4.94	-64.37
O=C(N[C@]12C[C@H]1CN(C(=O)C1CCCC[N@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300028822657	1	56	0.0	-68.64	415.33	4.97	-63.67
CC(C)[N@@H+]1CCOC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028822670	1	50	0.0	-84.77	386.76	2.67	-82.10
CC(C)[N@H+]1CCOC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028822670	1	50	0.0	-86.40	386.49	2.64	-83.76
CC1CC[NH+](CC(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028822714	0	49	0.0	-74.72	381.25	3.66	-71.06
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CN(C3=CC=[NH+]C=C3)N=C1)C2)C1=CC(=O)[N-]O1	REAL300028822748	1	44	0.0	-81.67	373.14	2.27	-79.40
C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028822758	0	50	0.0	-83.93	398.62	3.35	-80.58
C[NH+](C)CC1(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028822778	0	46	0.0	-74.91	365.78	2.74	-72.17
CC1=[NH+]C=C2CCC(C(=O)N3C[C@@H]4C[C@]4(NC(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300028822779	1	48	0.0	-71.74	387.09	3.80	-67.94
CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028822891	0	52	0.0	-77.78	394.11	3.71	-74.07
C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028822923	0	46	0.0	-62.67	362.85	2.75	-59.92
CC(C)[C@H](C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028822946	0	48	0.0	-72.82	363.98	3.04	-69.78
CCC(C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300028822986	0	51	0.0	-67.06	380.34	3.42	-63.64
CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028823090	0	45	0.0	-77.46	358.95	2.42	-75.04
CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028823090	1	45	0.0	-77.54	359.17	2.47	-75.07
CC1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028823179	0	46	0.0	-70.53	357.79	2.60	-67.93
CC1CCC[N@H+]1CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028823179	1	46	0.0	-71.52	364.05	3.00	-68.52
CC1CC[N@H+](CC(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028823182	0	46	0.0	-73.69	364.85	2.93	-70.76
CC1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028823182	1	46	0.0	-72.79	365.02	2.83	-69.96
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028823183	0	52	0.0	-70.41	398.06	3.43	-66.98
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028823183	1	52	0.0	-69.44	396.89	3.33	-66.11
CC1=[NH+]C=C2CC(C(=O)N3C[C@@H]4C[C@]4(NC(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300028823185	1	48	0.0	-56.78	387.34	3.85	-52.93
C[NH+](C)CCC1=CC=C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300028823187	0	52	0.0	-89.16	416.39	5.11	-84.05
CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028823189	0	49	0.0	-73.84	383.95	3.43	-70.41
CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028823189	1	49	0.0	-73.18	383.71	3.44	-69.74
C[N@H+](CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300028823190	0	51	0.0	-74.21	386.88	3.61	-70.60
C[N@@H+](CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300028823190	1	51	0.0	-74.37	388.85	3.78	-70.59
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028823191	0	52	0.0	-77.45	417.99	5.61	-71.84
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028823191	1	52	0.0	-77.38	418.20	5.64	-71.74
CC[C@@H](C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028823203	0	45	0.0	-72.84	347.73	2.25	-70.59
CC(COCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300028823211	0	53	0.0	-74.00	416.22	3.99	-70.01
O=C(N[C@]12C[C@H]1CN(C(=O)C1CC[NH+](CC3CC3)CC1)C2)C1=CC(=O)[N-]O1	REAL300028823328	0	53	0.0	-60.85	413.97	4.97	-55.88
C[N@@H+]1C[C@H](C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300028823391	0	53	0.0	-88.40	416.25	5.42	-82.98
C[N@H+]1C[C@H](C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300028823391	1	53	0.0	-86.09	418.74	5.31	-80.78
C[NH+]1CCC(O)(CC(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028823503	0	50	0.0	-71.29	386.06	1.63	-69.66
COCC[N@@H+]1CCCC1CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028823512	0	53	0.0	-76.12	414.32	2.89	-73.23
COCC[N@H+]1CCCC1CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028823512	1	53	0.0	-77.34	410.27	2.29	-75.05
O=C(C[NH+]1CCC(CO)CC1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028823525	0	50	0.0	-75.44	392.73	0.37	-75.07
O=C(C[NH+]1CCCCCC1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028823529	0	49	0.0	-72.37	369.98	3.22	-69.15
CN1C=C[N+](CC(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300028823534	0	41	0.0	-71.24	349.90	4.70	-66.54
C[N@@H+]1CCCC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028823547	0	46	0.0	-75.96	359.57	2.51	-73.45
C[N@H+]1CCCC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028823547	1	46	0.0	-67.07	353.43	2.69	-64.38
O=C(N[C@]12C[C@H]1CN(C(=O)C1CCC[N@@H+]1C1CC1)C2)C1=CC(=O)[N-]O1	REAL300028823552	0	47	0.0	-77.58	367.41	3.04	-74.54
O=C(N[C@]12C[C@H]1CN(C(=O)C1CCC[N@H+]1C1CC1)C2)C1=CC(=O)[N-]O1	REAL300028823552	1	47	0.0	-74.22	369.42	3.14	-71.08
CC(C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300028823593	1	43	0.0	-71.41	342.98	1.94	-69.47
CCC(CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300028823605	0	51	0.0	-79.10	391.67	4.02	-75.08
C[NH+](C)CC(C)(C)C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028823614	0	48	0.0	-70.23	357.03	2.37	-67.86
O=C(N[C@]12C[C@H]1CN(C(=O)C13CC(C1)C[N@@H+]3C1CC1)C2)C1=CC(=O)[N-]O1	REAL300028823638	0	48	0.0	-75.99	373.25	3.65	-72.34
O=C(N[C@]12C[C@H]1CN(C(=O)C13CC(C1)C[N@H+]3C1CC1)C2)C1=CC(=O)[N-]O1	REAL300028823638	1	48	0.0	-51.55	376.18	3.80	-47.75
O=C(C[NH+]1CCC(O)CC1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028823666	1	47	0.0	-79.54	372.14	-0.28	-79.82
C[N@H+](CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028823668	0	43	0.0	-70.25	348.18	2.57	-67.68
C[N@@H+](CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028823668	1	43	0.0	-71.58	348.07	2.59	-68.99
CC(C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300028823669	1	51	0.0	-78.27	395.11	1.07	-77.20
C[NH+]1CC(CC(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028823705	0	43	0.0	-77.24	350.47	2.05	-75.19
O=C(N[C@]12C[C@H]1CN(C(=O)C1CC[N@@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300028823709	0	50	0.0	-76.19	390.75	4.13	-72.06
O=C(N[C@]12C[C@H]1CN(C(=O)C1CC[N@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300028823709	1	50	0.0	-74.21	382.55	3.59	-70.62
CC(C)(C)[N@@H+]1CCC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028823718	0	49	0.0	-71.62	379.95	2.85	-68.77
CC(C)(C)[N@H+]1CCC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028823718	1	49	0.0	-72.03	379.93	2.89	-69.14
O=C(N[C@]12C[C@H]1CN(C(=O)C1CCN(C3=CC=[NH+]C=C3)C1)C2)C1=CC(=O)[N-]O1	REAL300028823731	0	49	0.0	-78.81	389.87	1.57	-77.24
C[C@@H](C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028823735	0	42	0.0	-72.64	335.32	1.56	-71.08
CCC1CCC[N@H+](CC(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028823794	0	52	0.0	-74.44	392.85	4.23	-70.21
CCC1CCC[N@@H+](CC(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028823794	1	52	0.0	-71.37	392.32	3.85	-67.52
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300028823804	0	47	0.0	-92.13	380.59	2.79	-89.34
C[NH+]1C2CCC1CC(CC(=O)N1C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028823821	0	53	0.0	-75.41	397.89	4.18	-71.23
C[NH+](C)C(CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300028823828	0	52	0.0	-82.17	408.86	5.22	-76.95
[NH2+]=C1SC=CN1CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028823876	0	39	0.0	-70.13	345.96	1.35	-68.78
C[N@H+](CCO)CCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028823889	0	46	0.0	-76.86	369.52	-0.75	-77.61
C[N@@H+](CCO)CCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028823889	1	46	0.0	-76.67	369.28	-0.83	-77.50
C[C@@H](C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028823890	0	42	0.0	-72.64	335.32	1.56	-71.08
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028823895	0	46	0.0	-71.45	348.23	2.31	-69.14
C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028823895	1	46	0.0	-69.54	359.51	2.78	-66.76
CC1CN2CC[N@@H+]1CC2C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028823906	0	49	0.0	-82.57	368.70	-0.10	-82.67
CC1CN2CC[N@H+]1CC2C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028823906	1	49	0.0	-80.17	368.04	-0.16	-80.33
COC1C[N@@H+]2CCCC2(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028823960	0	51	0.0	-54.26	380.66	1.61	-52.65
COC1C[N@H+]2CCCC2(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028823960	1	51	0.0	-74.55	390.11	1.63	-72.92
O=C(CC1=CC2=C[NH+]=CN2C=C1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028823978	0	44	0.0	-73.01	373.07	5.39	-67.62
C[N@H+](CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300028824015	0	47	0.0	-78.21	378.15	3.41	-74.80
C[N@@H+](CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300028824015	1	47	0.0	-78.12	378.16	3.42	-74.70
O=C(C[NH+]1CCC1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028824016	1	40	0.0	-75.01	328.81	1.67	-73.34
C[NH+](C)CC1=CC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)=CC=N1	REAL300028824060	1	48	0.0	-74.63	389.80	2.45	-72.18
C[N@@H+]1CCC(=CC(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028824062	0	44	0.0	-79.89	355.43	2.74	-77.15
C[N@H+]1CCC(=CC(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028824062	1	44	0.0	-79.67	356.73	2.74	-76.93
O=C(N[C@]12C[C@H]1CN(C(=O)C1C[NH+](C3CCCCC3)C1)C2)C1=CC(=O)[N-]O1	REAL300028824093	0	53	0.0	-79.75	410.44	4.50	-75.25
C[NH+](C)CCOCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028824114	0	46	0.0	-74.68	374.93	2.34	-72.34
CCCCC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028824122	0	54	0.0	-79.11	423.44	4.72	-74.39
CCCCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028824122	1	54	0.0	-79.12	423.66	4.78	-74.34
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028824134	0	50	0.0	-77.48	395.49	3.07	-74.41
C=CCC(C)(C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028824146	0	49	0.0	-66.04	363.72	2.68	-63.36
C[S+](C)CCC(O)C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028824151	0	45	0.0	-85.94	380.01	0.64	-85.30
C[N@@H+]1CC(O)CC1(C)C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028824194	0	47	0.0	-67.79	358.32	-1.62	-69.41
CN1CC[N@H+](C)CC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028824209	0	51	0.0	-80.87	389.57	1.08	-79.79
CN1CC[N@@H+](C)CC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028824209	1	51	0.0	-80.87	389.57	1.08	-79.79
CC(C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300028824210	0	50	0.0	-70.00	388.13	0.04	-69.96
C[N@@H+]1CCCC(O)(CC(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028824239	0	50	0.0	-67.66	388.68	1.58	-66.08
C[N@H+]1CCCC(O)(CC(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028824239	1	50	0.0	-67.66	388.68	1.58	-66.08
CC1CN(CC(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028824243	0	43	0.0	-75.64	348.79	2.35	-73.29
CC1C[NH+](CC(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028824243	1	43	0.0	-75.64	348.79	2.35	-73.29
CN(CCO)CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028824275	0	43	0.0	-75.68	347.15	-1.36	-77.04
C[N@H+](CCO)CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028824275	1	43	0.0	-74.84	346.92	-1.36	-76.20
C[N@@H+](CCO)CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028824275	1	43	0.0	-74.84	346.92	-1.36	-76.20
C[NH+]1C2CCC1CC(=CC(=O)N1C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028824308	0	51	0.0	-74.34	390.91	4.07	-70.27
O=C(N[C@]12C[C@H]1CN(C(=O)C1C[N@@H+]3CCN1CCC3)C2)C1=CC(=O)[N-]O1	REAL300028824313	0	49	0.0	-86.79	361.39	0.62	-86.17
O=C(N[C@]12C[C@H]1CN(C(=O)C1C[N@H+]3CCN1CCC3)C2)C1=CC(=O)[N-]O1	REAL300028824313	1	49	0.0	-86.79	361.39	0.62	-86.17
CC[N@@H+]1CCCC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028824324	0	49	0.0	-76.17	380.84	3.39	-72.78
CC[N@H+]1CCCC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028824324	1	49	0.0	-76.17	380.84	3.39	-72.78
CC(CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300028824326	0	48	0.0	-78.66	376.04	3.21	-75.45
CC[N@H+](C)CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028824344	0	42	0.0	-74.09	336.83	1.89	-72.20
O=C(N[C@]12C[C@H]1CN(C(=O)C13CCC[N@@H+]1CCCC3)C2)C1=CC(=O)[N-]O1	REAL300028824376	0	50	0.0	-69.83	368.10	2.94	-66.89
O=C(N[C@]12C[C@H]1CN(C(=O)C13CCC[N@H+]1CCCC3)C2)C1=CC(=O)[N-]O1	REAL300028824376	1	50	0.0	-69.83	368.10	2.94	-66.89
O=C(N[C@]12C[C@H]1CN(C(=O)C13CCC[N@@H+]1CC=CC3)C2)C1=CC(=O)[N-]O1	REAL300028824386	0	48	0.0	-68.14	360.28	2.74	-65.40
O=C(N[C@]12C[C@H]1CN(C(=O)C13CCC[N@H+]1CC=CC3)C2)C1=CC(=O)[N-]O1	REAL300028824386	1	48	0.0	-68.14	360.28	2.74	-65.40
CC[N@H+](CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028824419	0	46	0.0	-70.23	363.55	2.97	-67.26
CC[NH+](CC)CCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028824444	0	48	0.0	-76.62	376.99	3.16	-73.46
CC1(C)CN(CC(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028824485	0	46	0.0	-74.88	368.82	2.77	-72.11
CC1(C)C[NH+](CC(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028824485	1	46	0.0	-74.88	368.82	2.77	-72.11
O=C(CCCC[NH+]1CCCCC1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028824491	0	55	0.0	-77.93	426.08	5.25	-72.68
CC1(O)CC[N@H+](CC(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028824529	0	47	0.0	-74.56	375.10	-0.43	-74.99
C[NH+](C)CC=CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028824542	0	43	0.0	-81.72	354.71	2.41	-79.31
CC(OCC[NH+](C)C)C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028824573	0	49	0.0	-71.54	390.83	2.79	-68.75
C[NH+](C)CCOCCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028824586	0	49	0.0	-77.11	395.68	2.00	-75.11
COCCN(C)CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028824587	0	46	0.0	-74.39	369.17	1.03	-73.36
COCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028824587	1	46	0.0	-76.05	369.41	1.05	-75.00
COCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028824587	1	46	0.0	-76.05	369.41	1.05	-75.00
COCCCC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028824625	0	55	0.0	-82.16	435.83	3.07	-79.09
COCCCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028824625	1	55	0.0	-82.16	435.83	3.07	-79.09
C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300028824653	0	49	0.0	-77.56	359.29	2.75	-74.81
CC(CCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028824656	0	48	0.0	-80.71	372.19	2.95	-77.76
CCN1CCC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028824667	0	43	0.0	-73.32	340.31	1.79	-71.53
CC[N@@H+]1CCC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028824667	1	43	0.0	-72.29	341.93	1.78	-70.51
CC[N@H+]1CCC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028824667	1	43	0.0	-72.29	341.93	1.78	-70.51
CC(C)[N@@H+]1CCCC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028824683	0	52	0.0	-67.08	387.52	3.88	-63.20
CC(C)[N@H+]1CCCC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028824683	1	52	0.0	-67.08	387.52	3.88	-63.20
CN1C=CN=C1N1CCC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028824684	0	50	0.0	-69.99	402.12	3.56	-66.43
CN1C=C[NH+]=C1N1CCC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028824684	1	50	0.0	-69.99	402.12	3.56	-66.43
CC(C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300028824691	0	52	0.0	-75.38	412.22	5.13	-70.25
O=C(C[N@H+]1CCCC1CO)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028824700	0	47	0.0	-73.94	371.86	-0.27	-74.21
O=C(N[C@]12C[C@H]1CN(C(=O)C1CC3CCCC[N@@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300028824733	0	50	0.0	-74.52	384.67	3.77	-70.75
O=C(N[C@]12C[C@H]1CN(C(=O)C1CC3CCCC[N@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300028824733	1	50	0.0	-74.52	384.67	3.77	-70.75
C[NH+]1CCC(C)(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028824744	0	49	0.0	-76.49	367.71	2.71	-73.78
C=CCC(C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028824794	0	46	0.0	-72.54	363.79	2.77	-69.77
C[NH+](C)C12CCC(C(=O)N3C[C@@H]4C[C@]4(NC(=O)C4=CC(=O)[N-]O4)C3)(CC1)CC2	REAL300028824807	0	56	0.0	-86.06	400.02	3.90	-82.16
C[N@@H+]1CC(C)(C)CC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028824815	0	49	0.0	-74.51	372.17	2.81	-71.70
C[N@H+]1CC(C)(C)CC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028824815	1	49	0.0	-74.51	372.17	2.81	-71.70
C[NH+](C)CCCCCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028824820	0	51	0.0	-78.57	405.93	4.17	-74.40
CC1C[N@@H+](C2CCC2C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CCO1	REAL300028824853	0	54	0.0	-75.78	422.18	3.05	-72.73
CC1C[N@H+](C2CCC2C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CCO1	REAL300028824853	1	54	0.0	-74.17	415.13	3.01	-71.16
CC1C[N@@H+]2CCN1C(C(=O)N1C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028824881	0	49	0.0	-83.60	367.71	-0.06	-83.66
CC1C[N@H+]2CCN1C(C(=O)N1C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028824881	1	49	0.0	-83.44	367.74	-0.05	-83.49
CCCC(C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028824883	0	48	0.0	-74.69	370.40	3.03	-71.66
C[NH+](C)C(C)(C)C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028824889	0	45	0.0	-78.82	340.17	1.73	-77.09
CC[NH+](CC)CCSCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028824938	0	52	0.0	-80.89	417.21	4.29	-76.60
C[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028824950	0	46	0.0	-71.26	347.86	2.28	-68.98
C[N@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028824950	1	46	0.0	-69.29	359.13	2.74	-66.55
C[N@H+]1CC=C(CC(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028825012	0	47	0.0	-73.35	378.19	3.56	-69.79
C[N@@H+]1CC=C(CC(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028825012	1	47	0.0	-70.78	378.21	3.57	-67.21
O=C(CC1([NH+]2CCCC2)CC1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028825025	0	50	0.0	-72.58	383.79	3.97	-68.61
O=C(N[C@]12C[C@H]1CN(C(=O)C1(C[NH+]3CCCC3)CCCC1)C2)C1=CC(=O)[N-]O1	REAL300028825052	0	56	0.0	-76.02	409.89	5.04	-70.98
C[N@@H+]1CCCC(C(C)(C)C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028825091	0	55	0.0	-91.02	395.27	3.25	-87.77
C[N@H+]1CCCC(C(C)(C)C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028825091	1	55	0.0	-91.02	395.27	3.25	-87.77
CN(C)CC1=CC=C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028825096	0	46	0.0	-86.60	380.35	3.07	-83.53
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028825096	1	46	0.0	-86.60	380.35	3.07	-83.53
O=C(C=CC[NH+]1CCCC1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028825123	0	47	0.0	-80.25	378.39	3.54	-76.71
O=C(N[C@]12C[C@H]1CN(C(=O)C1CC[NH+](C3CC3)CC1)C2)C1=CC(=O)[N-]O1	REAL300028825155	0	50	0.0	-59.13	392.03	4.16	-54.97
C[N@@H+]1CC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C(C(F)(F)F)C1	REAL300028825180	0	46	0.0	-79.85	371.92	2.49	-77.36
C[N@H+]1CC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C(C(F)(F)F)C1	REAL300028825180	1	46	0.0	-79.85	371.92	2.49	-77.36
O=C(CC[NH+]1CCCC1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028825186	0	46	0.0	-76.99	366.11	2.87	-74.12
CN1CC(N2CC(C(=O)N3C[C@@H]4C[C@]4(NC(=O)C4=CC(=O)[N-]O4)C3)CC2=O)C1	REAL300028825197	0	51	0.0	-76.87	404.77	1.77	-75.10
C[NH+]1CC(N2CC(C(=O)N3C[C@@H]4C[C@]4(NC(=O)C4=CC(=O)[N-]O4)C3)CC2=O)C1	REAL300028825197	1	51	0.0	-76.87	404.77	1.77	-75.10
C[N@@H+]1CC2CC1(C(=O)N1C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028825259	0	44	0.0	-80.02	347.23	2.44	-77.58
CC1=C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C=NN1CC[NH+](C)C	REAL300028825275	0	52	0.0	-82.72	416.43	2.82	-79.90
O=C(C[N@@H+]1CC2CCC1C2)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028825278	0	47	0.0	-72.56	365.18	3.27	-69.29
O=C(C[N@H+]1CC2CCC1C2)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028825278	1	47	0.0	-72.56	365.18	3.27	-69.29
CC(C)[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028825295	0	55	0.0	-73.04	412.65	4.53	-68.51
O=C(C=C1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028825350	0	48	0.0	-68.51	373.83	3.53	-64.98
O=C(CN1CC2C=CC1C2)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028825363	0	45	0.0	-72.39	357.95	3.14	-69.25
O=C(C[N@@H+]1CC2C=CC1C2)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028825363	1	45	0.0	-70.33	358.32	3.07	-67.26
O=C(C[N@H+]1CC2C=CC1C2)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028825363	1	45	0.0	-70.33	358.32	3.07	-67.26
C[NH+](C)CC(C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300028825406	0	52	0.0	-70.30	414.98	5.17	-65.13
CC(C[NH+](C)C)C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028825440	0	45	0.0	-78.14	355.04	2.27	-75.87
C[N@@H+]1CCCCC1CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028825552	0	49	0.0	-79.82	377.33	3.40	-76.42
C[N@H+]1CCCCC1CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028825552	1	49	0.0	-79.82	377.33	3.40	-76.42
CC1=C2C=C(C(=O)N3C[C@@H]4C[C@]4(NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=N1	REAL300028825575	0	44	0.0	-81.86	368.21	4.88	-76.98
CC1=C2C=C(C(=O)N3C[C@@H]4C[C@]4(NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300028825575	1	44	0.0	-81.86	368.21	4.88	-76.98
CC1CCN1CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028825580	0	43	0.0	-73.13	349.75	2.27	-70.86
CC1CC[N@@H+]1CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028825580	1	43	0.0	-73.69	350.38	2.29	-71.40
CC1CC[N@H+]1CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028825580	1	43	0.0	-73.69	350.38	2.29	-71.40
C[NH+](C)CC(O)CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028825585	0	46	0.0	-82.16	371.70	0.30	-81.86
CC1CN(C)CC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028825626	0	47	0.0	-92.12	373.12	2.21	-89.91
CC1C[N@H+](C)CC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028825626	1	47	0.0	-92.80	365.88	1.79	-91.01
CC1C[N@@H+](C)CC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028825626	1	47	0.0	-92.80	365.88	1.79	-91.01
O=C(CC[NH+]1CCC(O)CC1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028825640	0	50	0.0	-79.60	393.87	0.30	-79.30
CCC[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028825643	0	52	0.0	-69.73	398.22	4.14	-65.59
CCC[N@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028825643	1	52	0.0	-69.73	398.22	4.14	-65.59
CC[NH+]1CCN(CCC(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028825647	0	54	0.0	-77.93	416.89	1.83	-76.10
CCN1CC[NH+](CCC(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028825647	1	54	0.0	-77.93	416.89	1.83	-76.10
O=C(N[C@]12C[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]3CCCC[C@H]13)C2)C1=CC(=O)[N-]O1	REAL300028825650	0	53	0.0	-55.16	393.43	4.60	-50.56
O=C(N[C@]12C[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]3CCCC[C@H]13)C2)C1=CC(=O)[N-]O1	REAL300028825650	1	53	0.0	-55.16	393.43	4.60	-50.56
CC(C)C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028825704	0	55	0.0	-60.82	419.37	4.83	-55.99
C[NH+](C)C1CCN(CC(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028825737	0	54	0.0	-75.59	412.02	1.89	-73.70
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028825762	0	46	0.0	-78.17	368.02	2.94	-75.23
CC(CC[NH+](C)C)C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028825772	0	48	0.0	-79.02	379.47	2.96	-76.06
C[N@H+](CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300028825810	0	50	0.0	-71.29	388.70	0.46	-70.83
C#CCN1CCCCC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028825820	0	48	0.0	-74.73	376.27	3.65	-71.08
C#CC[N@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028825820	1	48	0.0	-71.38	384.28	3.91	-67.47
C#CC[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028825820	1	48	0.0	-71.38	384.28	3.91	-67.47
CN1CCN(CC(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028825828	0	48	0.0	-74.64	377.47	0.70	-73.94
C[NH+]1CCN(CC(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028825828	1	48	0.0	-74.64	377.47	0.70	-73.94
NC(=[NH2+])SCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028825874	0	37	0.0	-78.85	327.00	-1.77	-80.62
CC[N@@H+]1CCOCC1CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028825928	0	50	0.0	-77.07	382.23	1.58	-75.49
C[NH+](C)CCC1(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300028825950	0	55	0.0	-78.49	412.16	4.26	-74.23
CC1CCCC(C)[NH+]1CCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028825952	0	55	0.0	-72.14	412.36	4.28	-67.86
C[NH+](C)C1CCC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028825955	0	52	0.0	-63.47	397.39	3.91	-59.56
C[NH+](C)CCC1(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028825956	0	49	0.0	-73.78	392.46	3.62	-70.16
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028825960	0	52	0.0	-72.96	387.22	3.59	-69.37
C[N@@H+]1CC=CCC1CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028825961	0	47	0.0	-65.17	364.68	3.21	-61.96
C[N@H+]1CC=CCC1CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028825961	1	47	0.0	-65.17	364.68	3.21	-61.96
C[C@@H](OCC[NH+](C)C)C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028825998	0	49	0.0	-71.39	390.71	2.76	-68.63
C[NH+]1C2CCC1CC(C(=O)N1C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028826042	0	50	0.0	-75.99	378.75	3.32	-72.67
C[NH+]1CCC(O)(C2(C(=O)N3C[C@@H]4C[C@]4(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300028826170	0	54	0.0	-83.64	407.11	1.61	-82.03
O=C(N[C@]12C[C@H]1CN(C(=O)C1(CC[NH+]3CCCCC3)CC1)C2)C1=CC(=O)[N-]O1	REAL300028826199	0	56	0.0	-76.32	431.83	5.47	-70.85
CC(C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300028826225	1	47	0.0	-74.21	375.90	3.14	-71.07
CCC1C[NH+](CC(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028826228	1	46	0.0	-75.89	371.13	3.01	-72.88
O=C(N[C@]12C[C@H]1CN(C(=O)C1C[NH+](C3CCOCC3)C1)C2)C1=CC(=O)[N-]O1	REAL300028826230	0	51	0.0	-79.67	401.39	2.16	-77.51
O=C(N[C@]12C[C@H]1CN(C(=O)C1([NH+]3CCCC3)CCC1)C2)C1=CC(=O)[N-]O1	REAL300028826232	0	50	0.0	-68.16	371.41	3.32	-64.84
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028826244	1	43	0.0	-74.45	337.15	1.70	-72.75
O=C(CC[N@@H+]1CCC(F)C1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028826254	1	46	0.0	-82.44	373.20	3.04	-79.40
COC1C[N@@H+](C)C(C)(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028826265	1	50	0.0	-72.17	381.63	0.94	-71.23
O=C(CC[NH+]1CCCCCC1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028826279	0	52	0.0	-78.88	392.90	3.80	-75.08
O=C(C[NH+]1CCCCC1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028826283	0	46	0.0	-74.25	361.43	3.11	-71.14
CC1C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028826293	0	46	0.0	-81.88	354.35	2.15	-79.73
CC1C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028826293	1	46	0.0	-77.47	362.53	2.48	-74.99
C[N@@H+]1CCCCC1CCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028826296	0	52	0.0	-80.41	392.36	3.95	-76.46
C[N@H+]1CCCCC1CCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028826296	1	52	0.0	-74.26	399.45	4.12	-70.14
O=C(N[C@]12C[C@H]1CN(C(=O)C1CC[N@@H+]3CCOCC13)C2)C1=CC(=O)[N-]O1	REAL300028826341	0	48	0.0	-71.14	371.79	1.43	-69.71
O=C(N[C@]12C[C@H]1CN(C(=O)C1CC[N@H+]3CCOCC13)C2)C1=CC(=O)[N-]O1	REAL300028826341	1	48	0.0	-81.95	375.55	1.38	-80.57
CC1=[NH+]C=C2C=CC(C(=O)N3C[C@@H]4C[C@]4(NC(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300028826350	0	44	0.0	-75.91	375.10	4.35	-71.56
CN1CCOCC1CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028826372	0	47	0.0	-83.98	369.36	1.05	-82.93
C[N@@H+]1CCOCC1CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028826372	1	47	0.0	-70.35	361.58	0.90	-69.45
C[N@H+]1CCOCC1CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028826372	1	47	0.0	-83.98	369.36	1.05	-82.93
CC1=C(C)[NH+]=C(CCC(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300028826386	1	47	0.0	-70.53	389.13	2.48	-68.05
C[NH+](C)CCC1=CC=CC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300028826399	0	52	0.0	-79.46	416.26	5.12	-74.34
O=C(N[C@]12C[C@H]1CN(C(=O)C1CCN1CC1=CC=CC=C1)C2)C1=CC(=O)[N-]O1	REAL300028826404	0	50	0.0	-73.62	400.17	4.72	-68.90
O=C(N[C@]12C[C@H]1CN(C(=O)C1CC[N@@H+]1CC1=CC=CC=C1)C2)C1=CC(=O)[N-]O1	REAL300028826404	1	50	0.0	-79.45	409.62	5.15	-74.30
O=C(N[C@]12C[C@H]1CN(C(=O)C1CC[N@H+]1CC1=CC=CC=C1)C2)C1=CC(=O)[N-]O1	REAL300028826404	1	50	0.0	-73.62	400.17	4.72	-68.90
CC(C)C[N@@H+]1CCCC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028826408	0	55	0.0	-74.49	416.36	4.66	-69.83
CC(C)C[N@H+]1CCCC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028826408	1	55	0.0	-68.31	410.23	4.81	-63.50
C[N@H+]1CCCC1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028826567	1	43	0.0	-65.06	335.42	1.61	-63.45
CC1=[NH+]C=CN1CCCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028826765	1	47	0.0	-68.36	386.64	3.99	-64.37
O=C(CCCC[NH+]1CCOCC1)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028826769	1	53	0.0	-74.28	413.73	2.67	-71.61
C[NH+](C)CC1=CC=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C=C1	REAL300028826775	0	49	0.0	-80.03	393.64	4.58	-75.45
O=C(CC[NH+]1CCOCC1)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028826776	1	47	0.0	-73.12	370.73	1.09	-72.03
C[NH+](C)C(C)(C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300028826798	0	52	0.0	-71.74	389.80	4.53	-67.21
CCC[NH+](CCC)CCCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028826806	0	57	0.0	-70.83	437.86	5.27	-65.56
CC[N@@H+](C)C(C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300028826807	1	52	0.0	-68.87	408.04	5.20	-63.67
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[NH+]1CCC2	REAL300028826828	0	47	0.0	-72.66	360.17	3.07	-69.59
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC2=C[NH+]=CN2C=C1	REAL300028826848	1	41	0.0	-75.88	346.37	4.64	-71.24
C[NH+](C)C1CCCC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028826938	0	52	0.0	-71.09	394.11	3.94	-67.15
C[N@@H+]1CCC(CC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028826945	0	46	0.0	-71.55	362.11	2.66	-68.89
C[N@H+]1CCC(CC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028826945	1	46	0.0	-71.84	362.38	2.68	-69.16
CN(C)C1=CC=[NH+]C=C1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028826959	0	45	0.0	-76.81	366.18	1.89	-74.92
CCC(C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028826965	0	45	0.0	-64.37	345.90	2.09	-62.28
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300028826975	1	44	0.0	-81.95	375.38	2.51	-79.44
CC1CC2CCC(C(=O)N[C@]34C[C@H]3CN(C(=O)C3=CC(=O)[N-]O3)C4)C[N@@H+]2C1	REAL300028827032	0	53	0.0	-63.85	397.49	4.62	-59.23
CC1CC2CCC(C(=O)N[C@]34C[C@H]3CN(C(=O)C3=CC(=O)[N-]O3)C4)C[N@H+]2C1	REAL300028827032	1	53	0.0	-62.06	397.58	4.61	-57.45
C[NH+](C)CCCCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028827072	0	48	0.0	-72.76	380.82	3.22	-69.54
CC(C)C(C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028827099	0	48	0.0	-70.56	364.35	3.32	-67.24
CCC[N@H+](C)CCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028827101	0	48	0.0	-71.37	377.06	3.04	-68.33
CCC[N@@H+](C)CCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028827101	1	48	0.0	-71.61	377.06	3.02	-68.59
CCC[N@H+](C)CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028827108	0	45	0.0	-69.09	354.69	2.49	-66.60
CCC[N@@H+](C)CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028827108	1	45	0.0	-68.99	354.69	2.48	-66.51
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CC[N@H+](C1)CCC2	REAL300028827141	0	47	0.0	-72.09	357.43	2.34	-69.75
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CC[N@@H+](C1)CCC2	REAL300028827141	1	47	0.0	-70.23	357.15	2.28	-67.95
CCCCCC[N@H+](C)CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028827197	0	54	0.0	-70.25	419.19	4.83	-65.42
CCCCCC[N@@H+](C)CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028827197	1	54	0.0	-70.16	419.18	4.83	-65.33
CC[NH+](CC)C(C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C(C)C	REAL300028827209	0	54	0.0	-65.14	395.29	4.34	-60.80
CC1CC[NH+](CC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028827257	0	49	0.0	-69.35	378.32	3.54	-65.81
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300028827291	1	44	0.0	-78.00	375.23	2.56	-75.44
C[NH+]1CCC(OCC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028827301	0	50	0.0	-77.52	395.39	3.10	-74.42
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@@H+]2C1	REAL300028827377	0	50	0.0	-68.27	383.15	3.76	-64.51
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@H+]2C1	REAL300028827377	1	50	0.0	-67.60	383.14	3.84	-63.76
C[NH+](C)CC1(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028827398	0	46	0.0	-64.56	366.86	2.85	-61.71
CC1=[NH+]C=C2CCC(C(=O)N[C@]34C[C@H]3CN(C(=O)C3=CC(=O)[N-]O3)C4)CN21	REAL300028827399	1	48	0.0	-64.85	383.93	3.84	-61.01
CC(C)[NH+]1CCC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028827412	0	52	0.0	-72.65	390.41	3.70	-68.95
CC[N@H+](C)CCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028827452	0	45	0.0	-70.78	355.55	2.29	-68.49
CC[N@@H+](C)CCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028827452	1	45	0.0	-70.82	355.58	2.30	-68.52
CC(C)(C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCC1	REAL300028827495	0	52	0.0	-69.39	384.81	4.03	-65.36
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@@H+](C2CCCCC2)C1	REAL300028827498	0	56	0.0	-70.07	420.70	5.02	-65.05
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@H+](C2CCCCC2)C1	REAL300028827498	1	56	0.0	-70.90	422.12	4.98	-65.92
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1C[NH+]2CCC1CC2	REAL300028827516	0	47	0.0	-69.93	357.02	2.90	-67.03
C[NH+]1CCC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028827621	0	46	0.0	-75.52	359.76	2.74	-72.78
CC(C)[C@H](C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028827644	0	48	0.0	-70.17	364.58	3.24	-66.93
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[NH+](CC2CC2)CC1	REAL300028827752	0	53	0.0	-74.88	409.36	4.94	-69.94
CC[NH+](CC)CC(F)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028827806	0	48	0.0	-74.92	372.42	2.72	-72.20
C[NH+](C)CC1=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)SC=C1	REAL300028827807	0	46	0.0	-58.55	380.96	3.72	-54.83
CC(C)C[N@@H+]1CCC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028827857	0	52	0.0	-70.68	400.57	4.01	-66.67
CC(C)C[N@H+]1CCC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028827857	1	52	0.0	-70.69	401.69	4.04	-66.65
C[NH+](C)C1(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CCC1	REAL300028827861	0	46	0.0	-74.84	354.26	2.66	-72.18
CCC(C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](CC)CC	REAL300028827903	0	51	0.0	-62.66	377.89	3.11	-59.55
CC1CCC[N@@H+]1CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028827936	0	46	0.0	-65.95	361.22	2.75	-63.20
CC1CCC[N@H+]1CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028827936	1	46	0.0	-66.00	360.58	2.76	-63.24
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028828049	1	50	0.0	-64.33	401.09	4.23	-60.10
CC(C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCCC1	REAL300028828057	0	52	0.0	-64.61	384.49	3.55	-61.06
CC(C)[N@@H+]1CCCCC1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028828060	0	52	0.0	-65.62	382.64	3.62	-62.00
CC(C)[N@H+]1CCCCC1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028828060	1	52	0.0	-63.31	382.43	3.65	-59.66
CC(C)[N@@H+]1CCCC1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028828096	0	49	0.0	-64.50	374.48	3.18	-61.32
CC(C)[N@H+]1CCCC1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028828096	1	49	0.0	-65.09	374.27	3.19	-61.90
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@@H+]1C1CCOCC1	REAL300028828105	0	54	0.0	-69.50	406.89	2.64	-66.86
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@H+]1C1CCOCC1	REAL300028828105	1	54	0.0	-69.29	407.23	2.64	-66.65
C[NH+](C)C(CN1C=CC=N1)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028828107	1	49	0.0	-69.25	391.93	3.01	-66.24
CC(C)[N@@H+]1CCCC1CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028828114	0	52	0.0	-64.62	385.38	3.69	-60.93
CC(C)[N@H+]1CCCC1CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028828114	1	52	0.0	-66.88	395.76	3.77	-63.11
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@@H+]1C1CCCC1	REAL300028828115	0	53	0.0	-66.04	398.39	4.63	-61.41
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@H+]1C1CCCC1	REAL300028828115	1	53	0.0	-69.68	392.12	4.37	-65.31
CC(C)[C@@H](C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028828145	0	48	0.0	-66.08	365.77	3.28	-62.80
CC1CC[N@H+](CC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028828183	0	46	0.0	-67.57	361.83	2.74	-64.83
CC1CC[N@@H+](CC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028828183	1	46	0.0	-68.81	361.71	2.79	-66.02
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028828184	0	52	0.0	-63.40	397.35	3.36	-60.04
CC(C)(C)[N@H+]1CCC(F)(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028828184	1	52	0.0	-61.85	397.34	3.40	-58.45
CC1=[NH+]C=C2CC(C(=O)N[C@]34C[C@H]3CN(C(=O)C3=CC(=O)[N-]O3)C4)CCN21	REAL300028828186	1	48	0.0	-66.89	384.84	3.83	-63.06
C[NH+](C)CCC1=CC=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C=C1	REAL300028828188	0	52	0.0	-81.17	416.21	5.41	-75.76
CC1(C)CC[N@H+](CC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028828190	0	49	0.0	-67.92	380.49	3.32	-64.60
CC1(C)CC[N@@H+](CC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028828190	1	49	0.0	-68.11	380.11	3.33	-64.78
C[N@H+](CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300028828191	0	51	0.0	-68.98	385.08	3.56	-65.42
C[N@@H+](CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300028828191	1	51	0.0	-68.19	385.60	3.63	-64.56
C[N@H+](CCC1=CC=CC=C1)CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028828192	0	52	0.0	-72.65	414.60	5.51	-67.14
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028828192	1	52	0.0	-72.86	414.59	5.52	-67.34
CC[C@@H](C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028828204	0	45	0.0	-64.72	345.53	2.09	-62.63
CC(COCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCC1	REAL300028828212	0	53	0.0	-66.93	414.40	3.78	-63.15
C[N@@H+]1C[C@H](C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)[C@@H](C2=CC=CC=C2)C1	REAL300028828226	0	53	0.0	-76.70	419.38	5.31	-71.39
C[N@H+]1C[C@H](C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)[C@@H](C2=CC=CC=C2)C1	REAL300028828226	1	53	0.0	-69.37	418.32	5.48	-63.89
CN(CCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=[NH+]C=C1	REAL300028828399	0	48	0.0	-65.30	389.93	2.73	-62.57
CC1=[NH+]C=CN1CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028828541	1	41	0.0	-66.62	345.00	2.71	-63.91
CC(C[NH+]1CCOCC1)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028828543	1	50	0.0	-64.05	386.22	1.95	-62.10
O=C(CCC[NH+]1CCCCC1)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028828566	0	52	0.0	-70.64	401.23	4.31	-66.33
C[NH+](C)CC1=CC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)=NO1	REAL300028828592	1	45	0.0	-79.47	373.73	2.03	-77.44
CC1=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C=CC2=C[NH+]=CN21	REAL300028828594	0	44	0.0	-69.40	367.89	4.81	-64.59
CC(C)C1=[NH+]C=CN1CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028828658	1	47	0.0	-64.73	381.27	3.81	-60.92
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCC2CCC[N@@H+]21	REAL300028828723	0	50	0.0	-65.34	372.35	3.64	-61.70
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCC2CCC[N@H+]21	REAL300028828723	1	50	0.0	-66.76	371.37	3.61	-63.15
CC[N@@H+]1CCOC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028828772	1	47	0.0	-64.26	363.58	1.96	-62.30
CC[N@H+]1CCOC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028828772	1	47	0.0	-77.11	363.53	1.95	-75.16
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN2C=[NH+]C=C2C=C1	REAL300028828866	0	41	0.0	-71.39	345.77	4.60	-66.79
CC1=C[NH+]=CN1CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028828871	1	41	0.0	-66.83	345.33	3.44	-63.39
C[NH+](C)CCN1C=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C=N1	REAL300028828877	0	49	0.0	-79.33	400.24	2.61	-76.72
C[NH+](C)CCN1C=CC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300028828894	0	49	0.0	-83.48	400.88	2.63	-80.85
C[C@@H]1[C@H](C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300028828902	0	46	0.0	-68.87	352.75	2.29	-66.58
C[C@@H]1[C@H](C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300028828902	1	46	0.0	-69.97	358.43	2.33	-67.64
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028828906	1	50	0.0	-64.70	401.42	4.28	-60.42
CC[C@@H]1[C@@H](C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300028828909	0	49	0.0	-69.31	372.35	2.78	-66.53
CC[C@@H]1[C@@H](C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300028828909	1	49	0.0	-68.75	377.47	3.13	-65.62
CC1CCC(C)[NH+]1CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028828941	0	49	0.0	-65.15	372.30	2.96	-62.19
O=C(CCC[NH+]1CCCC1)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028828952	0	49	0.0	-70.56	385.12	3.63	-66.93
C[NH+](C)CC1=CC=CC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028828953	0	49	0.0	-74.66	393.62	4.56	-70.10
C#CC[NH+]1CCC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028828964	0	48	0.0	-74.33	384.95	3.88	-70.45
O=C(CC[NH+]1CCCCC1)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028828966	0	49	0.0	-70.06	379.57	3.51	-66.55
C[NH+](C)CC1=CC=CC=C1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028828971	0	49	0.0	-57.35	386.09	4.85	-52.50
CC[N@@H+]1CCCCC1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028828983	0	49	0.0	-63.03	375.46	3.29	-59.74
CC[N@H+]1CCCCC1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028828983	1	49	0.0	-64.52	365.79	3.15	-61.37
CC(C)C(C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCC1	REAL300028828984	0	55	0.0	-66.48	404.49	4.41	-62.07
C[NH+](C)C(C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300028828988	1	49	0.0	-70.13	390.35	4.56	-65.57
O=C(CN1C=[NH+]C2=C1CCCC2)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028828998	1	48	0.0	-65.52	386.81	5.15	-60.37
C[NH+](C)CC1(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CCCCC1	REAL300028829047	0	55	0.0	-81.09	398.60	4.67	-76.42
C[NH+](C)CCC1=CC=CC=C1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028829048	0	52	0.0	-60.73	407.50	5.37	-55.36
C[N@H+](CCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCCC1	REAL300028829055	0	55	0.0	-71.27	414.26	4.70	-66.57
C[N@@H+](CCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCCC1	REAL300028829055	1	55	0.0	-71.73	414.04	4.69	-67.04
C[NH+](C)C1(CC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300028829059	0	52	0.0	-72.69	379.42	3.49	-69.20
C[N@H+](CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300028829351	0	46	0.0	-67.18	361.77	3.06	-64.12
C[N@@H+](CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300028829351	1	46	0.0	-66.77	361.60	3.08	-63.69
CC(C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1C(C)CCC1C	REAL300028829393	0	52	0.0	-64.32	387.52	3.43	-60.89
CC[NH+](CC)CC1=CC=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300028829410	0	52	0.0	-75.79	415.80	4.24	-71.55
O=C(CCCC[NH+]1CCCC1)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028829415	0	52	0.0	-71.44	405.77	4.33	-67.11
C[N@H+](CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300028829418	1	49	0.0	-73.40	392.12	4.67	-68.73
C[N@@H+](CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300028829418	1	49	0.0	-72.97	392.17	4.67	-68.30
C[NH+]1CCC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028829436	0	46	0.0	-75.52	359.76	2.74	-72.78
C[N@@H+]1CCC[C@@H]1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028829522	0	43	0.0	-70.95	335.56	1.61	-69.34
C[N@H+]1CCC[C@@H]1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028829522	1	43	0.0	-66.18	341.40	2.14	-64.04
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028829545	1	45	0.0	-64.72	362.13	2.86	-61.86
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028829545	1	45	0.0	-65.46	368.19	3.30	-62.16
C[N@@H+]1CCCC1CCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028829557	0	49	0.0	-70.43	377.44	3.08	-67.35
C[N@H+]1CCCC1CCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028829557	1	49	0.0	-68.70	377.50	3.12	-65.58
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[NH+](CCC1)C2	REAL300028829575	0	50	0.0	-70.69	373.04	3.28	-67.41
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC2CCCC[N@@H+]21	REAL300028829583	0	50	0.0	-63.99	376.12	3.56	-60.43
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC2CCCC[N@H+]21	REAL300028829583	1	50	0.0	-67.75	377.20	3.56	-64.19
CCC[N@@H+]1CCCC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028829701	0	52	0.0	-69.98	399.91	4.17	-65.81
CCC[N@H+]1CCCC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028829701	1	52	0.0	-62.49	392.96	4.31	-58.18
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCC[N@@H+]1C1CCCC1	REAL300028829714	0	56	0.0	-64.74	412.73	4.88	-59.86
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCC[N@H+]1C1CCCC1	REAL300028829714	1	56	0.0	-65.68	408.12	5.02	-60.66
CC(C)[N@@H+]1CCOC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028829727	1	50	0.0	-78.41	387.68	2.60	-75.81
CC(C)[N@H+]1CCOC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028829727	1	50	0.0	-74.71	380.40	2.46	-72.25
CC(C)(C[NH+]1CCOCC1)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028829751	0	53	0.0	-70.44	397.49	2.23	-68.21
C[N@@H+]1CCCCC1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028829774	0	46	0.0	-63.77	357.66	2.66	-61.11
C[N@H+]1CCCCC1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028829774	1	46	0.0	-68.02	357.53	2.69	-65.33
CC(C)C[N@@H+]1CCCC1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028829812	0	52	0.0	-68.87	394.46	3.71	-65.16
CC(C)C[N@H+]1CCCC1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028829812	1	52	0.0	-66.70	400.12	4.28	-62.42
O=C(C[NH+]1CCC(CO)CC1)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028829835	1	50	0.0	-72.77	389.02	0.26	-72.51
C[NH+]1C2CCC1CC(=CC(=O)NC13CC1CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300028829884	0	51	0.0	-69.16	389.05	4.06	-65.10
CC1C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300028829906	0	46	0.0	-70.37	361.59	2.60	-67.77
CC1C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300028829906	1	46	0.0	-73.09	353.11	2.24	-70.85
C[N@@H+]1CCCCC1CCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028829910	0	52	0.0	-68.58	396.76	3.99	-64.59
C[N@H+]1CCCCC1CCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028829910	1	52	0.0	-69.61	396.79	4.03	-65.58
NC1=[NH+]C2=C(C=C1C(=O)N[C@]13C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C3)CCC2	REAL300028829957	1	46	0.0	-61.62	369.23	2.34	-59.28
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028830055	0	49	0.0	-66.69	377.28	2.83	-63.86
CC(C)(C)[N@H+]1CCC1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028830055	1	49	0.0	-64.70	377.40	2.84	-61.86
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300028830077	0	49	0.0	-66.50	391.55	1.59	-64.91
C[C@@H](C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028830083	0	42	0.0	-65.82	333.41	1.52	-64.30
C[NH+](C)CC1=CC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC=N1	REAL300028830106	1	48	0.0	-71.60	389.66	2.72	-68.88
C=CCC(C)(C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028830112	0	49	0.0	-67.16	367.21	2.90	-64.26
CC[NH+](CC)CCSCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028830151	0	52	0.0	-73.74	417.79	4.37	-69.37
NC1=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C=[NH+]C2=CC=CC=C21	REAL300028830152	1	45	0.0	-65.63	366.49	1.77	-63.86
O=C(CC[NH+]1CCCC1)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028830157	0	46	0.0	-70.22	363.90	2.82	-67.40
C[N@H+](CCO)CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028830167	1	43	0.0	-68.90	343.54	-1.49	-70.39
C[N@@H+](CCO)CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028830167	1	43	0.0	-70.07	343.34	-1.50	-71.57
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1C[N@@H+]2CCN1CCC2	REAL300028830218	0	49	0.0	-73.63	362.10	0.85	-72.78
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1C[N@H+]2CCN1CCC2	REAL300028830218	1	49	0.0	-69.89	363.70	0.38	-69.51
CC(C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCSCC1	REAL300028830266	1	47	0.0	-69.21	371.09	2.90	-66.31
C[N@H+]1CC=C(CC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028830327	0	47	0.0	-69.23	374.60	3.40	-65.83
C[N@@H+]1CC=C(CC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028830327	1	47	0.0	-67.57	374.59	3.40	-64.17
C[NH+]1CC(N2CC(C(=O)N[C@]34C[C@H]3CN(C(=O)C3=CC(=O)[N-]O3)C4)CC2=O)C1	REAL300028830341	1	51	0.0	-71.97	403.78	1.79	-70.18
C[S+](C)CCC(O)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028830349	0	45	0.0	-70.18	380.36	0.70	-69.48
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028830383	0	47	0.0	-76.60	364.77	-0.77	-77.37
C[N@H+]1CC(O)CC1(C)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028830383	1	47	0.0	-77.01	362.33	-0.93	-77.94
CN1CC[N@H+](C)CC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028830402	0	51	0.0	-68.01	386.31	1.25	-66.76
CN1CC[N@@H+](C)CC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028830402	1	51	0.0	-69.41	386.61	0.82	-68.59
CC(C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[N@@H+]1CCCC(O)C1	REAL300028830403	0	50	0.0	-68.87	386.38	0.01	-68.86
CC(C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[N@H+]1CCCC(O)C1	REAL300028830403	1	50	0.0	-67.55	386.11	-0.01	-67.56
NC1=[NH+]C=C2CCCC2=C1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028830441	0	46	0.0	-64.09	376.41	1.92	-62.17
C[N@@H+]1CCCC(O)(CC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028830451	0	50	0.0	-68.10	376.17	1.21	-66.89
C[N@H+]1CCCC(O)(CC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028830451	1	50	0.0	-70.19	373.20	1.26	-68.93
CC1C[NH+](CC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028830458	1	43	0.0	-68.85	346.81	2.18	-66.67
CC[N@@H+]1CCCC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028830467	0	49	0.0	-69.27	377.89	3.37	-65.90
CC[N@H+]1CCCC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028830467	1	49	0.0	-62.38	371.29	3.58	-58.80
NC1=[NH+]C=CC=C1CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028830484	0	42	0.0	-66.99	349.70	0.87	-66.12
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@@H+]1C1CC1	REAL300028830500	0	47	0.0	-67.59	366.86	3.15	-64.44
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@H+]1C1CC1	REAL300028830500	1	47	0.0	-64.02	368.11	3.36	-60.66
CC1C[N@@H+](C2CCC2C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CCO1	REAL300028830537	0	54	0.0	-66.99	412.60	3.27	-63.72
CC1C[N@H+](C2CCC2C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CCO1	REAL300028830537	1	54	0.0	-67.05	412.43	2.90	-64.15
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C(C[NH+]2CCCC2)O1	REAL300028830560	0	50	0.0	-76.73	405.03	4.00	-72.73
O=C(C=CC[NH+]1CCCC1)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028830567	0	47	0.0	-72.12	377.86	3.48	-68.64
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[NH+](C2CC2)CC1	REAL300028830602	0	50	0.0	-72.55	389.10	4.15	-68.40
CC[N@H+](C)CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028830665	0	42	0.0	-68.68	333.19	1.74	-66.94
O=C(CN1CC2C=CC1C2)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028830750	0	45	0.0	-67.02	355.06	3.06	-63.96
O=C(C[N@@H+]1CC2C=CC1C2)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028830750	1	45	0.0	-67.14	354.59	3.07	-64.07
O=C(C[N@H+]1CC2C=CC1C2)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028830750	1	45	0.0	-67.14	354.59	3.07	-64.07
CC1=CC=C(NCCC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)N=C1	REAL300028830777	0	48	0.0	-66.32	394.48	2.49	-63.83
CC1=CC=C(NCCC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)[NH+]=C1	REAL300028830777	1	48	0.0	-66.32	394.48	2.49	-63.83
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1(C[NH+]2CCCC2)CCCC1	REAL300028830837	0	56	0.0	-64.65	409.77	5.19	-59.46
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1C[NH+]2CCN1CC2	REAL300028830868	0	46	0.0	-79.80	351.89	-0.43	-80.23
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[N@@H+]1CCCC2	REAL300028830940	0	50	0.0	-71.01	366.06	3.83	-67.18
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[N@H+]1CCCC2	REAL300028830940	1	50	0.0	-66.00	370.46	3.72	-62.28
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[N@@H+]1CC=CC2	REAL300028830952	0	48	0.0	-63.30	363.67	3.41	-59.89
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[N@H+]1CC=CC2	REAL300028830952	1	48	0.0	-64.54	362.89	3.43	-61.11
CC(OCC[NH+](C)C)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028830968	0	49	0.0	-70.79	391.30	2.76	-68.03
C[NH+](C)CCOCCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028830982	0	49	0.0	-69.68	392.28	1.88	-67.80
COCC[N@H+](C)CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028830984	1	46	0.0	-70.16	365.60	0.90	-69.26
COCC[N@@H+](C)CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028830984	1	46	0.0	-69.04	365.80	0.91	-68.13
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1C[NH+](C2CCOC2)C1	REAL300028830987	0	48	0.0	-75.37	381.36	1.44	-73.93
CC(CCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028830993	0	48	0.0	-74.67	368.79	2.81	-71.86
C[NH+]1CCC(=CC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028831024	0	47	0.0	-72.83	369.21	3.35	-69.48
CC[N@H+](CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300028831039	0	46	0.0	-65.91	359.23	2.94	-62.97
CC[N@@H+](CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300028831039	1	46	0.0	-66.34	361.63	3.09	-63.25
C[NH+](C)C1(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CCCSC1	REAL300028831044	0	50	0.0	-78.50	377.87	3.60	-74.90
CC1C[N@@H+]2CCN1C(C(=O)N[C@]13C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300028831060	0	49	0.0	-70.91	368.38	0.11	-70.80
CC1C[N@H+]2CCN1C(C(=O)N[C@]13C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300028831060	1	49	0.0	-80.34	368.37	0.10	-80.24
C[N@@H+]1CC2CC1(C(=O)N[C@]13C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300028831103	0	44	0.0	-73.20	347.83	2.23	-70.97
C[N@H+]1CC2CC1(C(=O)N[C@]13C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300028831103	1	44	0.0	-70.94	345.53	2.45	-68.49
CC1=[NH+]C(N)=CC=C1C=CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028831117	1	46	0.0	-69.85	380.46	1.77	-68.08
CC1=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C=NN1CC[NH+](C)C	REAL300028831124	0	52	0.0	-80.13	415.74	3.08	-77.05
O=C(C[N@@H+]1CC2CCC1C2)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028831127	0	47	0.0	-67.02	362.69	3.21	-63.81
O=C(C[N@H+]1CC2CCC1C2)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028831127	1	47	0.0	-66.65	362.19	3.18	-63.47
CC(C)[NH+]1CCC(CC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028831148	0	55	0.0	-65.56	412.71	4.63	-60.93
CC(C[NH+](C)C)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028831165	0	45	0.0	-70.20	353.94	2.37	-67.83
C[N@@H+]1CC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(C(F)(F)F)C1	REAL300028831184	0	46	0.0	-84.16	379.21	2.86	-81.30
C[N@H+]1CC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(C(F)(F)F)C1	REAL300028831184	1	46	0.0	-82.18	372.85	2.59	-79.59
C[NH+](C)C1(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028831188	0	43	0.0	-75.01	339.06	2.14	-72.87
C[C@H](C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028831222	0	42	0.0	-69.10	333.87	1.49	-67.61
CC[N@@H+]1CCC1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028831236	1	43	0.0	-68.11	340.01	1.73	-66.38
CC[N@H+]1CCC1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028831236	1	43	0.0	-65.95	339.77	1.74	-64.21
CC(C)[N@@H+]1CCCC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028831257	0	52	0.0	-64.20	388.63	4.05	-60.15
CC(C)[N@H+]1CCCC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028831257	1	52	0.0	-61.43	388.20	4.07	-57.36
CN1C=C[NH+]=C1N1CCC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028831259	1	50	0.0	-61.46	397.09	3.57	-57.89
CCC(C)(C)[NH2+]C(C)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028831288	0	51	0.0	-68.63	380.95	1.70	-66.93
C#CC[N@H+]1CCCCC1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028831353	1	48	0.0	-65.19	373.14	3.70	-61.49
C#CC[N@@H+]1CCCCC1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028831353	1	48	0.0	-63.45	382.76	3.88	-59.57
CNC1=[NH+]C(C)=CC=C1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028831357	1	45	0.0	-63.32	364.82	2.17	-61.15
NC1=CC=[NH+]C=C1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028831359	0	39	0.0	-71.04	324.18	-0.45	-71.49
C[NH+](C)C(CC1=CC=CC=C1)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028831365	0	52	0.0	-70.51	404.04	5.03	-65.48
CCCC(C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028831376	0	48	0.0	-65.99	370.54	3.43	-62.56
C[NH+](C)C(C)(C)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028831386	0	45	0.0	-73.93	342.92	2.24	-71.69
CC(CC[NH+](C)C)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028831417	0	48	0.0	-70.74	375.54	3.00	-67.74
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300028831490	0	53	0.0	-69.20	385.81	3.84	-65.36
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300028831490	1	53	0.0	-65.58	390.15	4.53	-61.05
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CC(C1)C[N@@H+]2C1CC1	REAL300028831531	0	48	0.0	-69.80	372.41	3.73	-66.07
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CC(C1)C[N@H+]2C1CC1	REAL300028831531	1	48	0.0	-70.32	369.15	4.23	-66.09
COCCCC[N@H+](C)CCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028831588	0	55	0.0	-75.18	432.23	2.89	-72.29
COCCCC[N@@H+](C)CCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028831588	1	55	0.0	-75.39	432.22	2.87	-72.52
C[NH+](C)C12CCC(C(=O)N[C@]34C[C@H]3CN(C(=O)C3=CC(=O)[N-]O3)C4)(CC1)CC2	REAL300028831594	0	56	0.0	-76.63	404.86	4.29	-72.34
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028831603	0	49	0.0	-70.94	375.13	2.80	-68.14
C[N@H+]1CC(C)(C)CC1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028831603	1	49	0.0	-65.85	381.41	3.12	-62.73
C[NH+](C)CCCCCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028831609	0	51	0.0	-72.52	402.32	3.98	-68.54
O=C(CC[NH+]1CCC(O)CC1)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028831615	0	50	0.0	-73.94	390.82	0.15	-73.79
CCC[N@@H+]1CCCCC1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028831621	0	52	0.0	-68.24	387.51	3.88	-64.36
CCC[N@H+]1CCCCC1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028831621	1	52	0.0	-67.11	396.75	4.06	-63.05
CC[NH+]1CCN(CCC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028831631	0	54	0.0	-72.83	413.56	1.70	-71.13
CCN1CC[NH+](CCC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028831631	1	54	0.0	-71.72	412.91	1.60	-70.12
C[NH+]1CCN(CC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028831635	1	48	0.0	-68.93	374.48	0.57	-68.36
CC(C)C[NH+]1CCC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028831793	0	55	0.0	-74.37	416.72	4.81	-69.56
CC1C[N@H+](C)CC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300028831797	1	47	0.0	-75.78	367.41	2.19	-73.59
CC1C[N@@H+](C)CC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300028831797	1	47	0.0	-64.48	367.18	2.02	-62.46
CCC1CCC[N@H+](CC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028831843	0	52	0.0	-66.68	389.10	3.74	-62.94
CCC1CCC[N@@H+](CC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028831843	1	52	0.0	-69.16	396.27	4.21	-64.95
C[NH+](C)CC1=CC=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300028831855	0	47	0.0	-81.30	382.68	2.28	-79.02
O=C(C[NH+]1CC2CC2C1)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028831881	0	44	0.0	-69.14	350.91	2.96	-66.18
O=C(CC1([NH+]2CCCC2)CC1)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028831906	0	50	0.0	-67.00	381.30	3.81	-63.19
CC([NH2+]C1(CO)CCCC1)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028831932	0	53	0.0	-71.42	384.06	-1.14	-72.56
C[N@@H+]1CCCCC1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028831973	0	46	0.0	-63.77	357.66	2.66	-61.11
C[N@H+]1CCCCC1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028831973	1	46	0.0	-68.02	357.53	2.69	-65.33
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300028831982	1	50	0.0	-66.75	397.54	4.60	-62.15
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@H+]1CC1=CC=CC=C1	REAL300028831982	1	50	0.0	-70.26	397.32	4.58	-65.68
CC(C)C[N@@H+]1CCCC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028831989	0	55	0.0	-69.62	416.58	4.81	-64.81
CC(C)C[N@H+]1CCCC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028831989	1	55	0.0	-68.18	416.68	4.82	-63.36
C[NH+](C)C1CCN(CC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028832075	0	54	0.0	-69.81	409.00	1.79	-68.02
C[N@@H+]1CCC(=CC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028832168	0	44	0.0	-73.95	353.58	2.65	-71.30
C[N@H+]1CCC(=CC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028832168	1	44	0.0	-73.94	354.70	2.65	-71.29
O=C(CNC1=CC=[NH+]C=C1)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028832176	0	42	0.0	-70.24	351.40	0.34	-69.90
CC[NH+]1CCN(CC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028832254	0	51	0.0	-68.04	392.24	1.28	-66.76
O=C(C=C1C[NH+]2CCC1CC2)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028832259	0	48	0.0	-66.49	371.73	3.47	-63.02
C[NH+](C)C1(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300028832319	0	49	0.0	-68.20	367.40	3.59	-64.61
C[N@H+](CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300028832336	0	50	0.0	-66.51	386.30	0.29	-66.22
C[N@@H+](CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300028832336	1	50	0.0	-67.79	386.22	0.29	-67.50
CCC1C[NH+](CC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028832344	1	46	0.0	-70.09	367.89	2.89	-67.20
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1C[NH+](C2CCOCC2)C1	REAL300028832348	0	51	0.0	-74.93	398.18	2.04	-72.89
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1([NH+]2CCCC2)CCC1	REAL300028832351	0	50	0.0	-71.18	375.24	3.77	-67.41
C[N@@H+]1CCC[C@H]1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028832369	0	43	0.0	-65.00	341.15	2.04	-62.96
C[N@H+]1CCC[C@H]1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028832369	1	43	0.0	-65.36	336.21	1.67	-63.69
CCN1CCOCC1CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028832414	0	50	0.0	-73.91	383.67	1.54	-72.37
CC[N@@H+]1CCOCC1CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028832414	1	50	0.0	-73.25	379.32	1.38	-71.87
CC[N@H+]1CCOCC1CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028832414	1	50	0.0	-73.25	379.32	1.38	-71.87
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)NC2=C1CCC[NH2+]2	REAL300028832423	0	47	0.0	-85.12	375.11	0.79	-84.33
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1C[NH+](C2CCCCC2)C1	REAL300028832448	0	53	0.0	-73.43	407.87	4.46	-68.97
COC1C[N@@H+]2CCCC2(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028832470	0	51	0.0	-74.53	390.32	1.93	-72.60
COC1C[N@H+]2CCCC2(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028832470	1	51	0.0	-74.53	390.32	1.93	-72.60
NC1=NC2=CC(C(=O)N[C@]34C[C@H]3CN(C(=O)C3=CC(=O)[N-]O3)C4)=CC=C2N1	REAL300028832553	0	43	0.0	-70.59	359.66	2.36	-68.23
NC1=[NH+]C2=CC(C(=O)N[C@]34C[C@H]3CN(C(=O)C3=CC(=O)[N-]O3)C4)=CC=C2N1	REAL300028832553	1	43	0.0	-70.59	359.66	2.36	-68.23
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028832616	0	46	0.0	-67.61	365.20	2.83	-64.78
C[NH+](C)CCC1(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300028832632	0	55	0.0	-83.15	416.17	4.68	-78.47
CC1CCCC(C)[NH+]1CCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028832634	0	55	0.0	-66.38	408.78	4.20	-62.18
C[NH+](C)C1CCC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028832637	0	52	0.0	-71.80	388.15	3.78	-68.02
C[NH+](C)CCC1(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028832638	0	49	0.0	-80.64	389.64	3.60	-77.04
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028832643	0	52	0.0	-59.20	387.98	3.77	-55.43
C[N@@H+]1CC=CCC1CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028832644	0	47	0.0	-60.38	361.83	3.06	-57.32
C[N@H+]1CC=CCC1CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028832644	1	47	0.0	-71.80	366.65	3.11	-68.69
CC1=CC(C=CC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)=C[NH+]=C1N	REAL300028832724	1	46	0.0	-72.19	380.80	2.04	-70.15
C[NH+](C)CCOCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028832741	0	46	0.0	-71.38	371.35	2.05	-69.33
CCCCC[N@H+](C)CCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028832749	0	54	0.0	-72.33	420.05	4.60	-67.73
CCCCC[N@@H+](C)CCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028832749	1	54	0.0	-72.49	420.05	4.60	-67.89
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300028832766	0	50	0.0	-72.15	392.49	3.24	-68.91
[NH2+]=C1SC=CN1CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028832803	0	39	0.0	-66.48	342.76	1.25	-65.23
C[C@@H](OCC[NH+](C)C)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028832925	0	49	0.0	-70.64	391.12	2.79	-67.85
C[NH+]1CCC(O)(C2(C(=O)N[C@]34C[C@H]3CN(C(=O)C3=CC(=O)[N-]O3)C4)CC2)CC1	REAL300028832930	0	54	0.0	-78.25	405.00	2.05	-76.20
O=C(CC[NH+]1CCCCCC1)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028833023	0	52	0.0	-71.53	389.87	3.72	-67.81
C[N@@H+]1CCCC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028833031	0	46	0.0	-62.25	353.79	2.92	-59.33
C[N@H+]1CCCC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028833031	1	46	0.0	-62.25	353.79	2.92	-59.33
O=C(CN1CCC(CO)CC1)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028833033	0	50	0.0	-72.77	389.02	0.26	-72.51
O=C(C[NH+]1CCC(CO)CC1)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028833033	1	50	0.0	-72.77	389.02	0.26	-72.51
O=C(C[NH+]1CCCCCC1)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028833039	0	49	0.0	-69.03	366.56	3.13	-65.90
CN1C=C[N+](CC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028833046	0	41	0.0	-65.60	346.70	4.60	-61.00
C[N@@H+]1CCCC(C(C)(C)C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028833069	0	55	0.0	-72.86	397.98	3.76	-69.10
C[N@H+]1CCCC(C(C)(C)C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028833069	1	55	0.0	-72.86	397.98	3.76	-69.10
CN(C)CC1=CC=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300028833075	0	46	0.0	-78.56	378.95	2.79	-75.77
C[NH+](C)CC1=CC=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300028833075	1	46	0.0	-78.56	378.95	2.79	-75.77
O=C(CN1CCC(O)CC1)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028833109	0	47	0.0	-73.31	368.84	-0.40	-73.71
O=C(C[NH+]1CCC(O)CC1)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028833109	1	47	0.0	-73.31	368.84	-0.40	-73.71
C[N@H+](CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300028833117	0	43	0.0	-66.79	345.11	2.47	-64.32
CC(C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)N1CCN(C)CC1	REAL300028833119	0	51	0.0	-70.56	388.96	0.92	-69.64
CC(C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)N1CC[NH+](C)CC1	REAL300028833119	1	51	0.0	-70.56	388.96	0.92	-69.64
O=C(CC[N@H+]1CCC(F)C1)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028833127	0	46	0.0	-74.69	369.74	2.89	-71.80
COC1C[N@H+](C)C(C)(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028833146	0	50	0.0	-74.13	386.69	1.58	-72.55
C[NH+](C)CCC1=CC=CC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028833169	0	52	0.0	-74.03	416.13	5.39	-68.64
CC(CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300028833176	0	48	0.0	-71.15	372.64	3.07	-68.08
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@@H+]2CCOCC12	REAL300028833203	0	48	0.0	-66.14	370.89	1.41	-64.73
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@H+]2CCOCC12	REAL300028833203	1	48	0.0	-66.14	370.89	1.41	-64.73
CN1CCOCC1CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028833238	0	47	0.0	-76.41	366.21	0.89	-75.52
C[N@@H+]1CCOCC1CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028833238	1	47	0.0	-68.66	358.56	0.74	-67.92
C[N@H+]1CCOCC1CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028833238	1	47	0.0	-68.66	358.56	0.74	-67.92
C[NH+](C)CC(C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300028833250	0	52	0.0	-73.49	411.57	5.13	-68.36
CC1=CC(N)=NC=C1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028833339	0	42	0.0	-71.48	344.77	0.79	-70.69
CC1=CC(N)=[NH+]C=C1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028833339	1	42	0.0	-71.48	344.77	0.79	-70.69
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1(CC[NH+]2CCCCC2)CC1	REAL300028833375	0	56	0.0	-78.37	432.13	5.54	-72.83
CC1(O)CC[N@H+](CC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028833417	0	47	0.0	-68.59	371.29	-0.49	-69.08
C[NH+](C)CCN1N=CC=C1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028833428	0	49	0.0	-65.48	395.77	2.53	-62.95
C[NH+]1CC(CC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028833471	0	43	0.0	-69.20	346.72	1.92	-67.28
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@@H+]1C1CCCC1	REAL300028833477	0	50	0.0	-70.35	385.85	3.87	-66.48
C[N@H+](CCO)CCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028833537	0	46	0.0	-69.75	365.86	-0.94	-70.69
C[N@@H+](CCO)CCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028833537	1	46	0.0	-69.75	365.86	-0.94	-70.69
C[N@@H+]1CCCCC1CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028833566	0	49	0.0	-71.32	374.69	3.27	-68.05
C[N@H+]1CCCCC1CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028833566	1	49	0.0	-71.32	374.69	3.27	-68.05
CC1=C2C=C(C(=O)N[C@]34C[C@H]3CN(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=N1	REAL300028833601	0	44	0.0	-73.81	367.95	5.17	-68.64
CC1=C2C=C(C(=O)N[C@]34C[C@H]3CN(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300028833601	1	44	0.0	-73.81	367.95	5.17	-68.64
CC(C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)N1CC(C)C1	REAL300028833602	0	46	0.0	-65.98	363.51	2.81	-63.17
CC(C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CC(C)C1	REAL300028833602	1	46	0.0	-65.98	363.51	2.81	-63.17
CC1CCN1CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028833608	0	43	0.0	-66.97	340.95	1.89	-65.08
CC1CC[N@@H+]1CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028833608	1	43	0.0	-67.35	347.03	2.19	-65.16
CC1CC[N@H+]1CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028833608	1	43	0.0	-67.35	347.03	2.19	-65.16
C[NH+](C)CC=CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028833629	0	43	0.0	-72.90	352.85	2.34	-70.56
CC1(C)CN(CC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028833647	0	46	0.0	-69.02	365.78	2.71	-66.31
CC1(C)C[NH+](CC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028833647	1	46	0.0	-69.02	365.78	2.71	-66.31
O=C(CCCC[NH+]1CCCCC1)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028833662	0	55	0.0	-71.42	422.01	5.06	-66.36
CC1=C(C)NC(CCC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300028833679	0	47	0.0	-65.24	385.51	2.37	-62.87
CC1=C(C)[NH+]=C(CCC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300028833679	1	47	0.0	-65.24	385.51	2.37	-62.87
CN1CCC2=C(C1)SC(C(=O)N[C@]13C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C3)=C2	REAL300028833680	0	47	0.0	-79.13	389.54	4.14	-74.99
C[N@@H+]1CCC2=C(C1)SC(C(=O)N[C@]13C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C3)=C2	REAL300028833680	1	47	0.0	-79.70	389.75	4.12	-75.58
C[N@H+]1CCC2=C(C1)SC(C(=O)N[C@]13C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C3)=C2	REAL300028833680	1	47	0.0	-79.70	389.75	4.12	-75.58
C[NH+]1CCC(C2(C(=O)N[C@]34C[C@H]3CN(C(=O)C3=CC(=O)[N-]O3)C4)CC2)CC1	REAL300028833694	0	53	0.0	-63.39	403.86	4.76	-58.63
CC1=C2C=C(C(=O)N[C@]34C[C@H]3CN(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=N1	REAL300028833705	0	44	0.0	-73.81	367.95	5.17	-68.64
CC1=C2C=C(C(=O)N[C@]34C[C@H]3CN(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300028833705	1	44	0.0	-73.81	367.95	5.17	-68.64
C[NH+](C)CCSCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028833721	0	46	0.0	-76.05	382.36	3.01	-73.04
CC(C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[N@H+](C)CC1=CC=CC=C1	REAL300028833743	0	52	0.0	-71.54	410.41	5.06	-66.48
NC1=NC2=C(C=C1C(=O)N[C@]13C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C3)CCCC2	REAL300028833747	0	49	0.0	-61.42	386.23	2.89	-58.53
NC1=[NH+]C2=C(C=C1C(=O)N[C@]13C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C3)CCCC2	REAL300028833747	1	49	0.0	-61.42	386.23	2.89	-58.53
O=C(C[N@H+]1CCCC1CO)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028833756	0	47	0.0	-68.07	365.18	-0.86	-68.93
CC[NH+](CC)CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028833759	0	45	0.0	-67.10	347.07	2.16	-64.94
C[N@H+](CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300028833776	0	47	0.0	-73.64	374.80	3.30	-70.34
O=C(CN1CCC1)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028833778	0	40	0.0	-69.46	325.61	1.52	-67.94
O=C(C[NH+]1CCC1)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028833778	1	40	0.0	-69.46	325.61	1.52	-67.94
CC[NH+](CC)CCC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028833846	0	48	0.0	-69.62	373.56	2.99	-66.63
NC(=O)C1CC[NH+](CC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028833872	0	50	0.0	-76.97	393.27	-0.37	-77.34
C[NH+](C)CC1=CNC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028833936	0	47	0.0	-74.13	381.90	2.33	-71.80
CC(C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC(O)CC1	REAL300028833962	0	50	0.0	-69.16	381.09	-0.13	-69.29
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2COCC[N@@H+]2C1	REAL300028833971	0	48	0.0	-67.29	373.75	1.43	-65.86
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2COCC[N@H+]2C1	REAL300028833971	1	48	0.0	-71.27	374.51	1.46	-69.81
CC(C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300028833993	1	43	0.0	-65.94	344.06	2.17	-63.77
CCC(CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300028834007	0	51	0.0	-73.61	386.81	3.55	-70.06
NC1=CC=C(C=CC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C=[NH+]1	REAL300028834016	0	43	0.0	-72.32	362.92	1.33	-70.99
C[NH+](C)CC(C)(C)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028834017	0	48	0.0	-69.94	365.28	2.80	-67.14
C[NH+](C)C(CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300028834064	0	52	0.0	-77.46	405.24	5.11	-72.35
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028834107	0	46	0.0	-69.05	348.27	2.50	-66.55
C[N@H+]1CCCC[C@@H]1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028834107	1	46	0.0	-68.07	357.17	2.68	-65.39
CC1CN2CC[N@@H+]1CC2C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028834125	0	49	0.0	-67.45	368.45	0.04	-67.41
CC1CN2CC[N@H+]1CC2C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028834125	1	49	0.0	-70.42	366.73	-0.07	-70.49
C[NH+](C)CC(O)CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028834161	0	46	0.0	-74.44	367.68	0.06	-74.38
C[NH+]1C2CCC1CC(C(=O)N[C@]13C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300028834164	0	50	0.0	-70.94	357.61	3.51	-67.43
C#CC1(O)CC[NH+](C(C)C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028834206	0	52	0.0	-69.33	409.31	0.95	-68.38
C=CCC(C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028834221	0	46	0.0	-70.46	361.91	2.77	-67.69
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@@H+]2C1	REAL300028834237	0	50	0.0	-68.27	383.15	3.76	-64.51
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@H+]2C1	REAL300028834237	1	50	0.0	-67.60	383.14	3.84	-63.76
C[NH+]1CCC(C)(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028834255	0	49	0.0	-63.00	372.77	3.16	-59.84
C[NH+]1CCC(O)(CC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028834261	0	50	0.0	-73.44	386.16	1.32	-72.12
COCC[N@@H+]1CCCC1CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028834280	0	53	0.0	-70.20	412.37	2.72	-67.48
COCC[N@H+]1CCCC1CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028834280	1	53	0.0	-62.00	408.87	2.65	-59.35
C[NH+]1C2CCC1CC(CC(=O)N[C@]13C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300028834296	0	53	0.0	-74.59	381.16	3.52	-71.07
C[NH+](C)CCN1N=CC=C1C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028834341	0	49	0.0	-63.40	393.36	2.35	-61.05
C[N@@H+]1CCC2=C(C1)SC(C(=O)N1C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C1)=C2	REAL300028834383	1	47	0.0	-87.54	388.08	3.83	-83.71
C[N@H+]1CCC2=C(C1)SC(C(=O)N1C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C1)=C2	REAL300028834383	1	47	0.0	-87.69	388.36	3.86	-83.83
C[NH+]1CCC(C2(C(=O)N3C[C@@H]4C[C@]4(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300028834395	0	53	0.0	-65.89	405.97	4.25	-61.64
CC1=C2C=C(C(=O)N3C[C@@H]4C[C@]4(NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300028834408	1	44	0.0	-81.86	368.21	4.88	-76.98
C[NH+](C)CCSCC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028834423	0	46	0.0	-82.98	385.96	3.20	-79.78
O=C(N[C@]12C[C@H]1CN(C(=O)C1CC3COCC[N@@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300028834435	0	48	0.0	-74.47	374.82	1.40	-73.07
O=C(N[C@]12C[C@H]1CN(C(=O)C1CC3COCC[N@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300028834435	1	48	0.0	-74.12	372.94	1.42	-72.70
C[N@@H+]1CCCC1C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028834600	0	52	0.0	-68.16	376.03	5.10	-63.06
C[N@H+]1CCCC1C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028834600	1	52	0.0	-71.44	371.67	4.77	-66.67
C[N@@H+]1CCOC(C(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028834624	1	53	0.0	-82.60	386.06	4.37	-78.23
C[N@H+]1CCOC(C(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028834624	1	53	0.0	-80.22	387.50	4.49	-75.73
CC(C)[N@@H+]1CCCC1C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028834780	0	58	0.0	-66.79	408.64	6.03	-60.76
CC(C)[N@H+]1CCCC1C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028834780	1	58	0.0	-69.96	394.01	5.84	-64.12
CC1=[NH+]C=CN1CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028834813	1	50	0.0	-67.09	382.90	5.85	-61.24
O=C(C1=CC(=O)[N-]O1)N1CCC[C@@H]2CN(C(=O)C3C[NH+]4CCC3CC4)CC[C@@H]21	REAL300028834841	0	56	0.0	-78.27	391.24	5.71	-72.56
C[C@@H]1[C@H](C(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028834875	0	55	0.0	-77.44	384.30	4.94	-72.50
C[C@@H]1[C@H](C(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028834875	1	55	0.0	-73.39	389.48	5.39	-68.00
CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028834877	0	58	0.0	-74.04	411.69	5.93	-68.11
CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028834877	1	58	0.0	-74.19	411.68	6.05	-68.14
CC[N@@H+]1CCOC(C(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028834884	1	56	0.0	-68.89	397.30	4.86	-64.03
CC[N@H+]1CCOC(C(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028834884	1	56	0.0	-81.04	403.25	5.00	-76.04
CC[NH+](CC)CC(F)C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028834912	0	57	0.0	-75.40	415.56	6.19	-69.21
CC1CCC(C)[NH+]1CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028834948	0	58	0.0	-66.65	410.45	6.07	-60.58
O=C(CCC[NH+]1CCCC1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028834951	0	58	0.0	-74.14	423.09	6.77	-67.37
O=C(CC[NH+]1CCCCC1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028834954	0	58	0.0	-75.11	417.27	6.67	-68.44
CC[N@@H+]1CCCCC1C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028834957	0	58	0.0	-69.10	410.86	6.31	-62.79
CC[N@H+]1CCCCC1C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028834957	1	58	0.0	-69.09	400.01	5.88	-63.21
C[NH+](C)C1(C(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300028834968	0	55	0.0	-72.59	375.64	4.86	-67.73
CC(C)[C@@H](C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028834975	0	57	0.0	-70.84	396.45	5.92	-64.92
C[N@H+](CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300028835000	0	55	0.0	-68.94	399.85	6.21	-62.73
C[N@@H+](CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300028835000	1	55	0.0	-69.75	399.77	6.19	-63.56
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028835076	1	54	0.0	-69.44	397.67	5.90	-63.54
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028835076	1	54	0.0	-69.03	401.48	6.22	-62.81
C[N@@H+]1CCCC1CCC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028835081	0	58	0.0	-75.01	420.90	6.79	-68.22
C[N@H+]1CCCC1CCC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028835081	1	58	0.0	-72.46	417.36	6.60	-65.86
C[NH+]1CCC(C(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028835101	0	55	0.0	-76.14	397.65	5.80	-70.34
C[N@@H+]1CCCCC1C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028835140	0	55	0.0	-70.32	394.49	5.78	-64.54
C[N@H+]1CCCCC1C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028835140	1	55	0.0	-66.88	393.55	5.75	-61.13
O=C(C1=CC(=O)[N-]O1)N1CCC[C@@H]2CN(C(=O)C3=CN4C=[NH+]C=C4C=C3)CC[C@@H]21	REAL300028835210	0	50	0.0	-74.07	387.19	7.51	-66.56
O=C(CC[NH+]1CCOCC1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028835217	1	56	0.0	-78.57	408.53	4.23	-74.34
CC1=C[NH+]=CN1CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028835230	1	50	0.0	-71.30	383.22	6.56	-64.74
O=C(C1=CC(=O)[N-]O1)N1CCC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]21	REAL300028835251	0	56	0.0	-71.93	383.02	5.53	-66.40
C[N@@H+]1CCC(CC(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028835262	0	55	0.0	-74.97	399.76	5.88	-69.09
C[N@H+]1CCC(CC(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028835262	1	55	0.0	-75.83	399.59	5.80	-70.03
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028835268	0	54	0.0	-73.95	402.02	4.15	-69.80
CCC(C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028835270	0	54	0.0	-71.38	379.82	5.17	-66.21
O=C(C1=CC(=O)[N-]O1)N1CCC[C@@H]2CN(C(=O)C3=CC4=C[NH+]=CN4C=C3)CC[C@@H]21	REAL300028835297	1	50	0.0	-74.24	380.55	7.33	-66.91
C[NH+](C)CCCCC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028835329	0	57	0.0	-73.26	419.00	6.41	-66.85
CC(C)C(C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028835343	0	57	0.0	-72.41	396.02	5.63	-66.78
CCC[N@H+](C)CCC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028835344	0	57	0.0	-76.47	414.86	6.21	-70.26
CCC[N@@H+](C)CCC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028835344	1	57	0.0	-76.41	414.86	6.21	-70.20
CCC[N@H+](C)CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028835348	0	54	0.0	-71.48	392.84	5.64	-65.84
CCC[N@@H+](C)CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028835348	1	54	0.0	-71.78	392.88	5.63	-66.15
O=C(C1=CC(=O)[N-]O1)N1CCC[C@@H]2CN(C(=O)C34CC[N@H+](C3)CCC4)CC[C@@H]21	REAL300028835363	0	56	0.0	-76.38	379.10	4.75	-71.63
O=C(C1=CC(=O)[N-]O1)N1CCC[C@@H]2CN(C(=O)C34CC[N@@H+](C3)CCC4)CC[C@@H]21	REAL300028835363	1	56	0.0	-73.74	387.29	5.11	-68.63
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028835389	0	52	0.0	-71.73	371.70	4.78	-66.95
C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028835389	1	52	0.0	-70.33	372.98	4.84	-65.49
CC[NH+](CC)CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028835424	0	54	0.0	-72.20	384.35	5.35	-66.85
CC1CC[NH+](CC(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028835485	0	58	0.0	-75.03	415.85	6.67	-68.36
C[NH+](C)CC1(C(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028835507	0	55	0.0	-74.83	401.06	5.86	-68.97
C[NH+]1CCC(C(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028835560	0	55	0.0	-76.14	397.65	5.80	-70.34
CC(C)[C@H](C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028835576	0	57	0.0	-68.04	388.45	5.56	-62.48
CCC(C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300028835604	0	60	0.0	-66.89	412.32	6.24	-60.65
CC[N@H+](C)CCC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028835645	0	54	0.0	-75.72	393.35	5.44	-70.28
CC[N@@H+](C)CCC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028835645	1	54	0.0	-75.64	393.36	5.46	-70.18
CC1CCC[N@@H+]1CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028835675	0	55	0.0	-71.48	398.64	5.91	-65.57
CC1CCC[N@H+]1CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028835675	1	55	0.0	-67.71	392.14	5.61	-62.10
CC1CC[N@H+](CC(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028835677	0	55	0.0	-73.47	398.57	5.81	-67.66
CC1CC[N@@H+](CC(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028835677	1	55	0.0	-70.94	398.82	6.00	-64.94
CC1(C)CC[N@H+](CC(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028835681	0	58	0.0	-70.46	418.33	6.46	-64.00
CC1(C)CC[N@@H+](CC(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028835681	1	58	0.0	-70.98	419.04	6.49	-64.49
C[N@H+](CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300028835682	0	60	0.0	-70.91	422.27	6.69	-64.22
C[N@@H+](CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300028835682	1	60	0.0	-71.25	423.29	6.70	-64.55
CC[C@@H](C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028835690	0	54	0.0	-70.78	381.49	5.17	-65.61
C[NH+](C)CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028835794	0	48	0.0	-75.32	353.18	4.22	-71.10
O=C(C[NH+]1CCCCCC1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028835798	0	58	0.0	-71.18	404.27	6.18	-65.00
CN1C=C[N+](CC(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300028835801	0	50	0.0	-68.17	384.85	7.73	-60.44
C[N@@H+]1CCCC(C(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028835806	0	55	0.0	-75.51	389.68	5.72	-69.79
C[N@H+]1CCCC(C(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028835806	1	55	0.0	-72.59	394.80	5.55	-67.04
O=C(C1=CC(=O)[N-]O1)N1CCC[C@@H]2CN(C(=O)C3CCC[N@@H+]3C3CC3)CC[C@@H]21	REAL300028835811	0	56	0.0	-70.40	396.26	5.81	-64.59
O=C(C1=CC(=O)[N-]O1)N1CCC[C@@H]2CN(C(=O)C3CCC[N@H+]3C3CC3)CC[C@@H]21	REAL300028835811	1	56	0.0	-66.15	402.36	6.29	-59.86
CC(C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300028835827	1	52	0.0	-71.46	382.09	5.06	-66.40
CCC(CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300028835831	0	60	0.0	-74.05	424.87	6.91	-67.14
C[NH+](C)CC(C)(C)C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028835836	0	57	0.0	-71.83	392.96	5.20	-66.63
O=C(C[NH+]1CCC(O)CC1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028835851	1	56	0.0	-78.41	406.09	2.71	-75.70
C[N@H+](CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028835852	0	52	0.0	-71.17	382.56	5.50	-65.67
C[N@@H+](CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028835852	1	52	0.0	-71.84	382.71	5.51	-66.33
C[NH+]1CC(CC(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028835868	0	52	0.0	-74.59	384.62	5.01	-69.58
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028835879	0	58	0.0	-70.23	391.81	5.24	-64.99
CC(C)(C)[N@H+]1CCC1C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028835879	1	58	0.0	-66.61	393.53	5.03	-61.58
C[C@@H](C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028835890	0	51	0.0	-72.93	368.68	4.55	-68.38
[NH2+]=C1SC=CN1CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028835949	0	48	0.0	-66.14	380.58	4.42	-61.72
C[N@H+](CCO)CCC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028835956	0	55	0.0	-75.29	403.71	2.24	-73.05
C[N@@H+](CCO)CCC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028835956	1	55	0.0	-74.98	403.59	2.26	-72.72
C[C@@H](C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028835957	0	51	0.0	-72.93	368.68	4.55	-68.38
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028835961	0	55	0.0	-72.58	385.56	5.46	-67.12
C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028835961	1	55	0.0	-66.82	393.51	5.71	-61.11
O=C(C[NH+]1CCC1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836011	1	49	0.0	-71.30	363.72	4.65	-66.65
C[N@@H+]1CCC(=CC(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028836030	0	53	0.0	-76.99	390.44	5.82	-71.17
C[N@H+]1CCC(=CC(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028836030	1	53	0.0	-76.50	391.00	5.69	-70.81
C[NH+](C)CCOCC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836053	0	55	0.0	-70.16	409.55	5.31	-64.85
C=CCC(C)(C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028836067	0	58	0.0	-68.13	398.57	5.70	-62.43
C[S+](C)CCC(O)C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836071	0	54	0.0	-70.04	414.12	3.65	-66.39
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836090	0	56	0.0	-71.52	391.25	1.04	-70.48
CC1CN(CC(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028836109	0	52	0.0	-71.79	384.77	5.32	-66.47
CC1C[NH+](CC(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028836109	1	52	0.0	-71.79	384.77	5.32	-66.47
CN(CCO)CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836127	0	52	0.0	-72.60	381.62	1.66	-70.94
C[N@H+](CCO)CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836127	1	52	0.0	-71.29	381.55	1.64	-69.65
C[N@@H+](CCO)CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836127	1	52	0.0	-71.29	381.55	1.64	-69.65
CC[N@@H+]1CCCC(C(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028836147	0	58	0.0	-66.28	405.75	6.52	-59.76
CC[N@H+]1CCCC(C(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028836147	1	58	0.0	-66.28	405.75	6.52	-59.76
CC(CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300028836149	0	57	0.0	-73.64	410.81	6.29	-67.35
CC[N@H+](C)CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836154	0	51	0.0	-71.40	371.39	4.89	-66.51
CC[N@H+](CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028836187	0	55	0.0	-72.55	394.67	6.01	-66.54
CC[NH+](CC)CCC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836197	0	57	0.0	-74.62	406.80	5.97	-68.65
CC1(C)CN(CC(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028836215	0	55	0.0	-71.04	404.03	5.80	-65.24
CC1(C)C[NH+](CC(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028836215	1	55	0.0	-71.04	404.03	5.80	-65.24
CC1(O)CC[N@H+](CC(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028836233	0	56	0.0	-74.87	409.61	2.53	-72.34
C[NH+](C)CC=CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836237	0	52	0.0	-76.20	389.38	5.41	-70.79
CC(OCC[NH+](C)C)C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836246	0	58	0.0	-72.84	424.42	5.65	-67.19
C[NH+](C)CCOCCC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836252	0	58	0.0	-72.52	430.09	5.01	-67.51
COCCN(C)CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836253	0	55	0.0	-70.91	403.81	4.04	-66.87
COCC[N@H+](C)CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836253	1	55	0.0	-72.84	403.87	4.06	-68.78
COCC[N@@H+](C)CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836253	1	55	0.0	-72.84	403.87	4.06	-68.78
C[NH+](C)C1(C(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300028836273	0	58	0.0	-69.48	392.58	5.67	-63.81
CC(CCC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028836275	0	57	0.0	-76.62	406.84	6.07	-70.55
CCN1CCC1C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836281	0	52	0.0	-68.26	376.92	4.97	-63.29
CC[N@@H+]1CCC1C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836281	1	52	0.0	-68.83	376.59	4.84	-63.99
CC[N@H+]1CCC1C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836281	1	52	0.0	-68.83	376.59	4.84	-63.99
O=C(C[N@H+]1CCCC1CO)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836294	0	56	0.0	-67.60	399.00	2.68	-64.92
C[NH+]1CCC(C)(C(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028836316	0	58	0.0	-66.96	402.00	5.66	-61.30
C=CCC(C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028836335	0	55	0.0	-69.47	393.25	5.59	-63.88
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836342	0	58	0.0	-71.81	410.85	5.82	-65.99
C[N@H+]1CC(C)(C)CC1C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836342	1	58	0.0	-71.81	410.85	5.82	-65.99
C[NH+](C)CCCCCC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836344	0	60	0.0	-73.85	440.12	7.16	-66.69
CCCC(C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028836365	0	57	0.0	-71.08	402.76	5.89	-65.19
C[NH+](C)C(C)(C)C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836368	0	54	0.0	-70.83	374.00	4.62	-66.21
C[N@@H+]1CCCCC1C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836394	0	55	0.0	-66.88	393.55	5.75	-61.13
C[N@H+]1CC=C(CC(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028836418	0	56	0.0	-70.84	412.36	6.49	-64.35
C[N@@H+]1CC=C(CC(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028836418	1	56	0.0	-70.84	412.36	6.49	-64.35
O=C(C=CC[NH+]1CCCC1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836458	0	56	0.0	-75.35	413.45	6.54	-68.81
O=C(CC[NH+]1CCCC1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836491	0	55	0.0	-75.07	401.60	5.97	-69.10
C[N@@H+]1CC2CC1(C(=O)N1CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028836520	0	53	0.0	-72.11	380.50	5.20	-66.91
O=C(C[N@@H+]1CC2CCC1C2)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836527	0	56	0.0	-68.67	396.98	6.11	-62.56
O=C(C[N@H+]1CC2CCC1C2)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836527	1	56	0.0	-68.67	396.98	6.11	-62.56
O=C(CN1CC2C=CC1C2)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836567	0	54	0.0	-69.31	392.64	6.23	-63.08
O=C(C[N@@H+]1CC2C=CC1C2)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836567	1	54	0.0	-70.34	392.38	6.00	-64.34
O=C(C[N@H+]1CC2C=CC1C2)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836567	1	54	0.0	-70.34	392.38	6.00	-64.34
CC(C[NH+](C)C)C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836599	0	54	0.0	-69.05	389.54	5.36	-63.69
C[N@@H+]1CCCCC1CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836649	0	58	0.0	-63.71	405.19	6.32	-57.39
C[N@H+]1CCCCC1CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836649	1	58	0.0	-63.71	405.19	6.32	-57.39
CC1CCN1CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836661	0	52	0.0	-69.49	384.81	5.36	-64.13
CC1CC[N@@H+]1CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836661	1	52	0.0	-69.30	379.22	5.04	-64.26
CC1CC[N@H+]1CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836661	1	52	0.0	-69.30	379.22	5.04	-64.26
C[NH+](C)CC(O)CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836664	0	55	0.0	-76.13	406.32	3.25	-72.88
CC1CN(C)CC(C(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028836684	0	56	0.0	-68.25	400.59	5.02	-63.23
CC1C[N@H+](C)CC(C(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028836684	1	56	0.0	-77.18	407.56	5.21	-71.97
CC1C[N@@H+](C)CC(C(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028836684	1	56	0.0	-77.18	407.56	5.21	-71.97
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028836731	0	55	0.0	-70.22	402.60	5.98	-64.24
CC(CC[NH+](C)C)C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836737	0	57	0.0	-74.05	412.79	5.97	-68.08
CN1CCN(CC(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028836756	0	57	0.0	-72.89	412.10	3.62	-69.27
C[NH+]1CCN(CC(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028836756	1	57	0.0	-72.89	412.10	3.62	-69.27
NC(=[NH2+])SCC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836780	0	46	0.0	-72.34	361.54	1.27	-71.07
C[NH+](C)CCC1(C(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028836809	0	58	0.0	-73.42	426.30	6.53	-66.89
C[N@@H+]1CC=CCC1CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836810	0	56	0.0	-76.87	403.91	6.25	-70.62
C[N@H+]1CC=CCC1CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836810	1	56	0.0	-76.87	403.91	6.25	-70.62
C[C@@H](OCC[NH+](C)C)C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836823	0	58	0.0	-67.59	424.79	5.73	-61.86
CCC1C[NH+](CC(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028836909	0	55	0.0	-72.67	406.12	6.09	-66.58
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836914	0	52	0.0	-68.16	375.35	5.07	-63.09
C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836914	1	52	0.0	-72.88	369.23	4.60	-68.28
O=C(CC[N@H+]1CCC(F)C1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836920	0	55	0.0	-75.03	407.92	6.10	-68.93
O=C(CC[N@@H+]1CCC(F)C1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836920	1	55	0.0	-77.75	408.08	6.09	-71.66
O=C(C[NH+]1CCCCC1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836933	0	55	0.0	-71.80	394.92	6.00	-65.80
CC1C(C(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028836939	0	55	0.0	-68.76	395.55	5.58	-63.18
CC1C(C(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028836939	1	55	0.0	-72.02	393.97	5.54	-66.48
C[N@@H+]1CCOCC1CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836968	1	56	0.0	-77.14	403.88	4.06	-73.08
C[N@H+]1CCOCC1CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836968	1	56	0.0	-66.54	396.79	3.96	-62.58
C[N@@H+]1CCCC1C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028837139	0	52	0.0	-71.22	371.64	4.71	-66.51
C[N@H+]1CCCC1C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028837139	1	52	0.0	-69.30	371.85	4.76	-64.54
O=C(CC[NH+]1CCOCC1)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028837318	1	56	0.0	-76.54	408.58	4.29	-72.25
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C[N@H+]1CCC(CC(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300028837367	1	55	0.0	-74.98	399.53	5.94	-69.04
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CCC(C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[NH+](C)C	REAL300028837375	0	54	0.0	-67.69	379.15	5.00	-62.69
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CC(C)C(C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[NH+](C)C	REAL300028837429	0	57	0.0	-70.56	394.44	5.84	-64.72
CCC[N@H+](C)CCC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028837430	0	57	0.0	-74.51	414.92	6.23	-68.28
CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028837430	1	57	0.0	-74.56	415.30	6.25	-68.31
CCC[N@H+](C)CC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028837434	0	54	0.0	-72.56	392.75	5.66	-66.90
CCC[N@@H+](C)CC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028837434	1	54	0.0	-72.45	392.75	5.65	-66.80
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CC1CC[NH+](CC(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC1	REAL300028837482	0	58	0.0	-72.37	415.77	6.59	-65.78
C[NH+](C)CC1(C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC1	REAL300028837523	0	55	0.0	-69.78	399.10	5.59	-64.19
CC[N@H+](C)CCC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028837542	0	54	0.0	-73.74	393.42	5.49	-68.25
CC[N@@H+](C)CCC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028837542	1	54	0.0	-73.84	393.62	5.51	-68.33
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CC(C)[C@H](C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[NH+](C)C	REAL300028837625	0	57	0.0	-70.52	394.48	5.84	-64.68
CC[NH+](CC)CC(F)C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028837685	0	57	0.0	-74.15	413.68	5.98	-68.17
C[NH+](C)C1(C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CCC1	REAL300028837706	0	55	0.0	-72.35	379.31	4.92	-67.43
CCC(C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[NH+](CC)CC	REAL300028837734	0	60	0.0	-67.55	413.71	6.51	-61.04
CC1CCC[N@@H+]1CC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028837745	0	55	0.0	-68.62	392.35	5.60	-63.02
CC1CCC[N@H+]1CC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028837745	1	55	0.0	-69.00	398.41	5.91	-63.09
CC(C)[N@@H+]1CCCC1C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028837791	0	58	0.0	-67.02	407.79	6.15	-60.87
CC(C)[N@H+]1CCCC1C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028837791	1	58	0.0	-67.48	401.91	6.33	-61.15
CC(C)[C@@H](C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[NH+](C)C	REAL300028837800	0	57	0.0	-68.64	392.97	5.54	-63.10
CC1CC[N@H+](CC(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300028837814	0	55	0.0	-71.35	398.85	5.93	-65.42
CC1CC[N@@H+](CC(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300028837814	1	55	0.0	-71.27	398.48	5.89	-65.38
CC1(C)CC[N@H+](CC(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300028837818	0	58	0.0	-71.41	418.70	6.35	-65.06
CC1(C)CC[N@@H+](CC(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300028837818	1	58	0.0	-71.37	418.35	6.53	-64.84
C[N@H+](CC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)CC(C)(C)C	REAL300028837819	0	60	0.0	-72.37	421.85	6.72	-65.65
C[N@@H+](CC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)CC(C)(C)C	REAL300028837819	1	60	0.0	-71.56	423.34	6.72	-64.84
CC[C@@H](C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[NH+](C)C	REAL300028837827	0	54	0.0	-67.96	380.40	5.01	-62.95
CC1=[NH+]C=CN1CC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028837948	1	50	0.0	-68.14	382.81	5.76	-62.38
CC[N@@H+]1CCOC(C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300028838012	1	56	0.0	-79.41	404.68	5.04	-74.37
CC[N@H+]1CCOC(C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300028838012	1	56	0.0	-75.50	396.03	4.81	-70.69
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300028838042	0	50	0.0	-72.17	388.17	7.50	-64.67
CC1=C[NH+]=CN1CC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838045	1	50	0.0	-70.07	383.14	6.49	-63.58
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC[N@@H+]1C	REAL300028838052	0	55	0.0	-74.53	388.85	5.44	-69.09
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC[N@H+]1C	REAL300028838052	1	55	0.0	-71.91	391.97	5.67	-66.24
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC[N@@H+]1C	REAL300028838054	0	58	0.0	-72.83	407.46	5.79	-67.04
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC[N@H+]1C	REAL300028838054	1	58	0.0	-70.25	410.77	6.27	-63.98
CC1CCC(C)[NH+]1CC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838061	0	58	0.0	-68.31	410.35	6.17	-62.14
O=C(CCC[NH+]1CCCC1)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838064	0	58	0.0	-72.31	422.01	6.78	-65.53
O=C(CC[NH+]1CCCCC1)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838068	0	58	0.0	-73.18	417.32	6.71	-66.47
CC[N@@H+]1CCCCC1C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838071	0	58	0.0	-68.11	400.20	5.90	-62.21
CC[N@H+]1CCCCC1C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838071	1	58	0.0	-67.11	411.89	6.53	-60.58
C[N@H+](CC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)C1CCC1	REAL300028838169	0	55	0.0	-69.82	399.48	6.14	-63.68
C[N@@H+](CC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)C1CCC1	REAL300028838169	1	55	0.0	-69.63	399.36	6.23	-63.40
C[NH+]1CCC(C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC1	REAL300028838200	0	55	0.0	-78.94	393.29	5.50	-73.44
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838230	0	52	0.0	-72.26	372.11	4.74	-67.52
C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838230	1	52	0.0	-69.02	376.37	5.08	-63.94
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838248	1	54	0.0	-67.99	398.52	5.92	-62.07
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838248	1	54	0.0	-72.51	402.79	6.29	-66.22
C[N@@H+]1CCCC1CCC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838253	0	58	0.0	-74.08	417.31	6.63	-67.45
C[N@H+]1CCCC1CCC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838253	1	58	0.0	-70.78	415.00	6.20	-64.58
C[N@@H+]1CCCCC1C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838327	0	55	0.0	-69.54	382.15	5.30	-64.24
C[N@H+]1CCCCC1C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838327	1	55	0.0	-70.03	385.85	5.52	-64.51
CC1C(C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC[N@@H+]1C	REAL300028838385	0	55	0.0	-71.56	393.94	5.43	-66.13
CC1C(C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC[N@H+]1C	REAL300028838385	1	55	0.0	-73.66	388.68	5.20	-68.46
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838441	0	58	0.0	-68.64	413.88	5.84	-62.80
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838441	1	58	0.0	-67.70	414.11	5.82	-61.88
C[C@@H](C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[NH+](C)C	REAL300028838455	0	51	0.0	-70.83	369.76	4.59	-66.24
C=CCC(C)(C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[NH+](C)C	REAL300028838469	0	58	0.0	-65.53	399.93	5.65	-59.88
O=C(CC[NH+]1CCCC1)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838486	0	55	0.0	-73.21	401.66	6.01	-67.20
C[N@H+](CCO)CC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838495	1	52	0.0	-72.66	381.61	1.67	-70.99
C[N@@H+](CCO)CC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838495	1	52	0.0	-72.64	381.30	1.71	-70.93
C[N@H+]1CC=C(CC(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC1	REAL300028838553	0	56	0.0	-70.65	412.43	6.47	-64.18
C[N@@H+]1CC=C(CC(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC1	REAL300028838553	1	56	0.0	-69.19	412.29	6.48	-62.71
C[S+](C)CCC(O)C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838563	0	54	0.0	-76.77	414.68	3.66	-73.11
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838576	0	56	0.0	-69.36	394.18	1.61	-67.75
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838576	1	56	0.0	-70.51	395.87	1.70	-68.81
CC1C[NH+](CC(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300028838606	1	52	0.0	-72.30	383.23	5.26	-67.04
CC[N@@H+]1CCCC(C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300028838612	0	58	0.0	-74.95	415.01	6.34	-68.61
CC[N@H+]1CCCC(C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300028838612	1	58	0.0	-70.46	415.35	6.32	-64.14
NC1=[NH+]C=CC=C1CC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838616	0	51	0.0	-68.41	387.95	4.09	-64.32
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCCN2C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300028838624	0	56	0.0	-69.42	403.01	6.01	-63.41
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCCN2C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300028838624	1	56	0.0	-66.70	401.54	6.38	-60.32
O=C(C=CC[NH+]1CCCC1)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838654	0	56	0.0	-78.86	414.45	6.56	-72.30
CC[N@H+](C)CC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838699	0	51	0.0	-72.12	371.26	4.91	-67.21
O=C(CN1CC2C=CC1C2)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838734	0	54	0.0	-70.22	392.88	6.20	-64.02
O=C(C[N@@H+]1CC2C=CC1C2)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838734	1	54	0.0	-70.03	392.37	6.10	-63.93
O=C(C[N@H+]1CC2C=CC1C2)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838734	1	54	0.0	-70.03	392.37	6.10	-63.93
CC(OCC[NH+](C)C)C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838821	0	58	0.0	-71.13	424.91	5.72	-65.41
C[NH+](C)CCOCCC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838828	0	58	0.0	-70.98	430.46	5.09	-65.89
COCCN(C)CC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838830	0	55	0.0	-72.55	403.55	4.11	-68.44
COCC[N@H+](C)CC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838830	1	55	0.0	-72.85	403.86	4.07	-68.78
COCC[N@@H+](C)CC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838830	1	55	0.0	-72.85	403.86	4.07	-68.78
CC(CCC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[NH+](C)C	REAL300028838833	0	57	0.0	-71.98	410.80	6.02	-65.96
CC[N@H+](CC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)C1CC1	REAL300028838849	0	55	0.0	-68.13	401.97	6.17	-61.96
CC[N@@H+](CC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)C1CC1	REAL300028838849	1	55	0.0	-69.92	394.88	5.82	-64.10
C[N@@H+]1CC2CC1(C(=O)N1CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]31)C2	REAL300028838876	0	53	0.0	-71.14	377.43	5.27	-65.87
C[N@H+]1CC2CC1(C(=O)N1CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]31)C2	REAL300028838876	1	53	0.0	-72.51	380.12	5.24	-67.27
O=C(C[N@@H+]1CC2CCC1C2)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838885	0	56	0.0	-70.12	400.38	6.35	-63.77
O=C(C[N@H+]1CC2CCC1C2)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838885	1	56	0.0	-69.98	399.98	6.33	-63.65
CC(C[NH+](C)C)C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838900	0	54	0.0	-73.50	389.83	5.26	-68.24
C[NH+](C)C1(C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC1	REAL300028838911	0	52	0.0	-72.38	374.95	4.45	-67.93
C[C@H](C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[NH+](C)C	REAL300028838932	0	51	0.0	-69.80	368.07	4.44	-65.36
CC[N@@H+]1CCC1C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838937	1	52	0.0	-69.24	375.90	4.79	-64.45
CC[N@H+]1CCC1C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838937	1	52	0.0	-69.36	375.63	4.63	-64.73
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838948	0	60	0.0	-68.51	415.04	4.49	-64.02
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838975	1	54	0.0	-64.44	406.42	4.76	-59.68
NC1=CC=[NH+]C=C1C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838976	0	48	0.0	-70.89	364.49	2.08	-68.81
CCCC(C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[NH+](C)C	REAL300028838984	0	57	0.0	-69.96	402.37	5.85	-64.11
C[NH+](C)C(C)(C)C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838989	0	54	0.0	-70.91	371.80	4.65	-66.26
CC(CC[NH+](C)C)C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839003	0	57	0.0	-76.59	409.20	5.73	-70.86
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839065	0	58	0.0	-70.24	411.69	5.82	-64.42
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839065	1	58	0.0	-68.06	415.41	6.25	-61.81
C[NH+](C)CCCCCC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839067	0	60	0.0	-72.84	440.06	7.23	-65.61
C[NH+]1CCN(CC(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC1	REAL300028839074	1	57	0.0	-71.33	412.61	3.76	-67.57
CC1C[N@H+](C)CC(C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)O1	REAL300028839127	1	56	0.0	-87.26	398.53	4.71	-82.55
CC1C[N@@H+](C)CC(C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)O1	REAL300028839127	1	56	0.0	-81.94	408.06	5.14	-76.80
O=C(C[NH+]1CC2CC2C1)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839158	0	53	0.0	-71.98	388.50	5.99	-65.99
C[N@@H+]1CCCCC1C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839185	0	55	0.0	-69.54	382.15	5.30	-64.24
C[N@H+]1CCCCC1C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839185	1	55	0.0	-70.03	385.85	5.52	-64.51
C[N@@H+]1CCC(=CC(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300028839259	0	53	0.0	-77.74	390.24	5.83	-71.91
C[N@H+]1CCC(=CC(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300028839259	1	53	0.0	-78.37	390.02	5.79	-72.58
O=C(CNC1=CC=[NH+]C=C1)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839262	0	51	0.0	-70.99	388.98	3.41	-67.58
C[NH+](C)C1(C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CCCC1	REAL300028839325	0	58	0.0	-67.60	389.33	5.70	-61.90
CCC1C[NH+](CC(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300028839334	0	55	0.0	-72.86	405.80	6.02	-66.84
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839344	0	52	0.0	-68.46	373.26	4.97	-63.49
C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839344	1	52	0.0	-69.39	371.58	4.71	-64.68
NC1=CC=C(CCC(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C=[NH+]1	REAL300028839388	0	54	0.0	-70.87	412.20	4.81	-66.06
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300028839439	0	55	0.0	-71.54	402.36	6.02	-65.52
C[NH+](C)CCC1(C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC1	REAL300028839448	0	58	0.0	-75.84	425.68	6.49	-69.35
C[N@@H+]1CC=CCC1CC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839449	0	56	0.0	-65.66	399.77	6.30	-59.36
C[N@H+]1CC=CCC1CC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839449	1	56	0.0	-67.16	399.63	6.32	-60.84
C[NH+](C)CCOCC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839485	0	55	0.0	-71.84	409.34	5.34	-66.50
[NH2+]=C1SC=CN1CC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839513	0	48	0.0	-66.84	380.41	4.31	-62.53
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839555	0	58	0.0	-70.12	424.59	5.69	-64.43
C[N@@H+]1CCCC(C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300028839585	0	55	0.0	-76.60	393.44	5.50	-71.10
C[N@H+]1CCCC(C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300028839585	1	55	0.0	-76.60	393.44	5.50	-71.10
O=C(C[NH+]1CCCCCC1)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839586	0	58	0.0	-71.60	404.18	6.14	-65.46
CN1C=C[N+](CC(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)=C1	REAL300028839590	0	50	0.0	-69.66	384.94	7.76	-61.90
O=C(CN1CCC(O)CC1)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839613	0	56	0.0	-75.99	406.30	2.75	-73.24
O=C(C[NH+]1CCC(O)CC1)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839613	1	56	0.0	-75.99	406.30	2.75	-73.24
C[N@H+](CC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)C1CC1	REAL300028839615	0	52	0.0	-69.51	382.74	5.56	-63.95
O=C(CC[N@H+]1CCC(F)C1)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839618	0	55	0.0	-78.33	407.87	6.14	-72.19
CC(CC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)C[NH+](C)C	REAL300028839639	0	57	0.0	-75.45	410.46	6.21	-69.24
CN1CCOCC1CC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839658	0	56	0.0	-68.01	396.65	3.97	-64.04
C[N@@H+]1CCOCC1CC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839658	1	56	0.0	-69.99	396.83	3.98	-66.01
C[N@H+]1CCOCC1CC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839658	1	56	0.0	-69.99	396.83	3.98	-66.01
CC1=CC(N)=NC=C1C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839698	0	51	0.0	-70.19	384.96	3.49	-66.70
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839698	1	51	0.0	-70.19	384.96	3.49	-66.70
CC1(O)CC[N@H+](CC(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300028839728	0	56	0.0	-72.30	409.75	2.65	-69.65
C[NH+]1CC(CC(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300028839756	0	52	0.0	-72.79	384.61	5.10	-67.69
C[N@H+](CCO)CCC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839786	0	55	0.0	-72.72	403.66	2.29	-70.43
C[N@@H+](CCO)CCC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839786	1	55	0.0	-72.72	403.66	2.29	-70.43
C[N@@H+]1CCCCC1CC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839804	0	58	0.0	-73.73	412.05	6.37	-67.36
C[N@H+]1CCCCC1CC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839804	1	58	0.0	-73.73	412.05	6.37	-67.36
CC1CCN1CC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839819	0	52	0.0	-69.78	379.77	5.12	-64.66
CC1CC[N@@H+]1CC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839819	1	52	0.0	-70.74	384.86	5.32	-65.42
CC1CC[N@H+]1CC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839819	1	52	0.0	-70.74	384.86	5.32	-65.42
C[NH+](C)CC=CC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839827	0	52	0.0	-80.09	389.38	5.40	-74.69
CC1(C)CN(CC(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300028839833	0	55	0.0	-72.14	403.54	5.73	-66.41
CC1(C)C[NH+](CC(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300028839833	1	55	0.0	-72.14	403.54	5.73	-66.41
C[NH+](C)CCSCC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839855	0	55	0.0	-76.48	420.39	6.27	-70.21
O=C(C[N@H+]1CCCC1CO)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839874	0	56	0.0	-71.20	403.09	2.32	-68.88
O=C(C[N@@H+]1CCCC1CO)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839874	1	56	0.0	-70.90	406.63	2.82	-68.08
CC[NH+](CC)CC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839878	0	54	0.0	-70.52	389.53	5.61	-64.91
O=C(C[NH+]1CCC1)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839887	1	49	0.0	-72.02	363.50	4.58	-67.44
CC[NH+](CC)CCC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839918	0	57	0.0	-73.07	406.88	5.94	-67.13
CC(C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[NH+]1CCC1	REAL300028839977	1	52	0.0	-69.41	380.24	5.03	-64.38
CCC(CC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)C[NH+](C)C	REAL300028839982	0	60	0.0	-76.53	428.37	6.90	-69.63
NC1=CC=C(C=CC(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C=[NH+]1	REAL300028839987	0	52	0.0	-76.10	399.70	4.38	-71.72
C[NH+](C)CC(C)(C)C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839988	0	57	0.0	-72.06	395.21	5.34	-66.72
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028840025	0	55	0.0	-69.98	382.53	5.25	-64.73
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028840025	1	55	0.0	-68.79	394.17	5.77	-63.02
C[NH+](C)CC(O)CC(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028840049	0	55	0.0	-76.68	405.99	3.29	-73.39
C=CCC(C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[NH+](C)C	REAL300028840071	0	55	0.0	-70.68	398.06	5.70	-64.98
C[NH+]1CCC(C)(C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC1	REAL300028840084	0	58	0.0	-71.42	398.89	5.54	-65.88
C[NH+](C)CCSCC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028840147	0	55	0.0	-75.36	420.51	6.25	-69.11
C[N@@H+]1CCCC1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028840310	0	49	0.0	-70.63	382.31	-1.45	-72.08
C[N@H+]1CCCC1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028840310	1	49	0.0	-70.82	388.36	-1.02	-71.84
C[N@@H+]1CCOC(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028840334	1	50	0.0	-82.16	399.72	-1.53	-83.69
C[N@H+]1CCOC(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028840334	1	50	0.0	-85.23	399.43	-1.63	-86.86
CC(C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+]1CCCCCC1	REAL300028840492	0	58	0.0	-65.82	430.88	0.50	-65.32
CC(C)[N@@H+]1CCCCC1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028840494	0	58	0.0	-64.09	428.81	0.62	-63.47
CC(C)[N@H+]1CCCCC1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028840494	1	58	0.0	-64.20	428.79	0.62	-63.58
CC(C)[N@@H+]1CCCC1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028840514	0	55	0.0	-69.49	420.29	0.06	-69.43
CC(C)[N@H+]1CCCC1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028840514	1	55	0.0	-67.03	421.12	0.12	-66.91
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2CC3CCCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300028840530	0	56	0.0	-67.24	429.16	0.78	-66.46
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2CC3CCCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300028840530	1	56	0.0	-71.20	429.35	0.66	-70.54
CC(C)C1=[NH+]C=CN1CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028840548	1	53	0.0	-69.30	427.72	0.65	-68.65
CC1=[NH+]C=CN1CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028840575	1	47	0.0	-70.75	391.50	-0.46	-71.21
CC(C[NH+]1CCOCC1)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028840576	0	56	0.0	-66.93	432.91	-1.11	-68.04
O=C(CCC[NH+]1CCCCC1)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028840591	0	58	0.0	-73.15	447.98	1.21	-71.94
CC(C)(C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+]1CCCCC1	REAL300028840608	0	58	0.0	-74.80	430.71	0.93	-73.87
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2C[NH+]3CCC2CC3)C1)C1=CC(=O)[N-]O1	REAL300028840616	0	53	0.0	-75.06	402.99	-0.19	-75.25
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2CCCC3CCC[N@@H+]32)C1)C1=CC(=O)[N-]O1	REAL300028840655	0	56	0.0	-69.61	417.51	0.48	-69.13
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2CCCC3CCC[N@H+]32)C1)C1=CC(=O)[N-]O1	REAL300028840655	1	56	0.0	-67.12	426.57	0.75	-66.37
C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC[N@@H+]1C	REAL300028840668	0	52	0.0	-73.56	400.06	-0.83	-74.39
C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC[N@H+]1C	REAL300028840668	1	52	0.0	-77.14	404.41	-0.76	-77.90
CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC[N@@H+]1C	REAL300028840672	0	55	0.0	-73.35	419.27	-0.31	-73.66
CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC[N@H+]1C	REAL300028840672	1	55	0.0	-73.12	422.94	0.15	-72.97
CC[N@@H+]1CCOC(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028840681	1	53	0.0	-74.34	410.38	-1.06	-75.40
CC[N@H+]1CCOC(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028840681	1	53	0.0	-73.85	410.38	-1.05	-74.90
CC[NH+](CC)CC(F)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028840722	0	54	0.0	-71.34	425.27	0.00	-71.34
CC1CCC(C)[NH+]1CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028840782	0	55	0.0	-71.87	408.87	-0.46	-72.33
O=C(CCC[NH+]1CCCC1)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028840788	0	55	0.0	-72.88	431.29	0.44	-72.44
C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300028840793	0	54	0.0	-80.50	431.11	0.81	-79.69
O=C(CC[NH+]1CCCCC1)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028840794	0	55	0.0	-72.76	426.48	0.40	-72.36
CC[N@@H+]1CCCCC1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028840799	0	55	0.0	-65.87	412.18	0.12	-65.75
CC[N@H+]1CCCCC1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028840799	1	55	0.0	-70.10	411.74	0.03	-70.07
CC(C)C[N@@H+]1CCC(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028840813	0	58	0.0	-74.42	445.84	0.91	-73.51
CC(C)C[N@H+]1CCC(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028840813	1	58	0.0	-75.75	446.24	0.89	-74.86
C[NH+](C)C1(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CCC1	REAL300028840816	0	52	0.0	-78.36	394.56	-0.52	-78.88
CC(C)[N@@H+]1CCCC1CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028840818	0	58	0.0	-63.70	433.41	0.17	-63.53
CC(C)[N@H+]1CCCC1CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028840818	1	58	0.0	-63.62	432.69	0.17	-63.45
CC(C)[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+](C)C	REAL300028840830	0	54	0.0	-67.47	409.64	-0.25	-67.72
C[N@H+](CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CCC1	REAL300028840871	0	52	0.0	-67.39	408.20	-0.03	-67.42
C[N@@H+](CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CCC1	REAL300028840871	1	52	0.0	-67.70	408.11	-0.02	-67.72
CC(C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+]1C(C)CCC1C	REAL300028840924	0	58	0.0	-67.68	432.73	0.28	-67.40
C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028840978	1	51	0.0	-71.10	408.65	-0.34	-71.44
C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028840978	1	51	0.0	-66.90	414.38	0.33	-66.57
C[N@@H+]1CCCC1CCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028840983	0	55	0.0	-71.87	424.25	0.02	-71.85
C[N@H+]1CCCC1CCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028840983	1	55	0.0	-72.62	425.44	0.40	-72.22
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1)C1=CC(=O)[N-]O1	REAL300028840992	0	56	0.0	-74.46	419.46	0.12	-74.34
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2CCC3CCCC[N@@H+]32)C1)C1=CC(=O)[N-]O1	REAL300028840995	0	56	0.0	-66.33	430.15	0.97	-65.36
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2CCC3CCCC[N@H+]32)C1)C1=CC(=O)[N-]O1	REAL300028840995	1	56	0.0	-66.30	430.16	0.95	-65.35
O=C(CCCC[NH+]1CCCC1)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028841011	0	58	0.0	-73.56	453.81	1.29	-72.27
C[NH+]1CCC(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300028841022	0	52	0.0	-79.95	405.94	-0.38	-80.33
C[NH+](C)CC1=CC(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)=NO1	REAL300028841054	1	51	0.0	-78.93	420.98	-0.92	-79.85
CC1=C(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C=CC2=C[NH+]=CN21	REAL300028841055	0	50	0.0	-70.30	404.63	2.38	-67.92
C[N@@H+]1CCCCC1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028841082	0	52	0.0	-70.31	403.33	-0.45	-70.76
C[N@H+]1CCCCC1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028841082	1	52	0.0	-69.27	394.98	-0.57	-69.84
CC(C)C[N@@H+]1CCCC1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028841102	0	58	0.0	-70.65	446.30	1.13	-69.52
CC(C)C[N@H+]1CCCC1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028841102	1	58	0.0	-65.69	446.15	1.14	-64.55
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CN3C=[NH+]C=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300028841196	0	47	0.0	-71.22	390.70	2.02	-69.20
CC1=[NH+]C=CN1CCCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028841204	1	53	0.0	-70.27	433.45	0.88	-69.39
O=C(CC[NH+]1CCOCC1)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028841208	1	53	0.0	-76.11	417.75	-2.02	-78.13
CC1=C[NH+]=CN1CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028841235	1	47	0.0	-73.35	391.11	0.30	-73.05
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1)C1=CC(=O)[N-]O1	REAL300028841271	0	53	0.0	-69.84	405.55	-0.20	-70.04
C[NH+](C)C1CCCC(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028841293	0	58	0.0	-67.57	434.61	0.67	-66.90
C[N@@H+]1CCC(CC(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028841296	0	52	0.0	-73.36	408.39	-0.36	-73.72
C[N@H+]1CCC(CC(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028841296	1	52	0.0	-72.59	406.88	0.10	-72.49
CN(C)C1=CC=[NH+]C=C1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028841307	0	51	0.0	-75.38	411.26	-0.68	-76.06
CCC(C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+](C)C	REAL300028841312	0	51	0.0	-66.74	392.00	-0.91	-67.65
C[NH+](C)C1(CC(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CCCC1	REAL300028841323	0	58	0.0	-77.62	425.23	0.37	-77.25
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC3=C[NH+]=CN3C=C2)C1)C1=CC(=O)[N-]O1	REAL300028841359	1	47	0.0	-74.99	390.97	2.02	-72.97
C[NH+](C)CCCCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028841405	0	54	0.0	-74.97	427.84	0.11	-74.86
CC(C)C(C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+](C)C	REAL300028841424	0	54	0.0	-67.86	411.47	0.11	-67.75
CCC[N@H+](C)CCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028841426	0	54	0.0	-74.13	424.08	-0.08	-74.21
CCC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028841426	1	54	0.0	-74.12	424.08	-0.09	-74.21
CCC[N@H+](C)CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028841431	0	51	0.0	-74.02	400.63	-0.64	-74.66
CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028841431	1	51	0.0	-74.00	400.63	-0.65	-74.65
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C23CC[N@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300028841452	0	53	0.0	-71.21	403.81	-0.75	-71.96
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C23CC[N@@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300028841452	1	53	0.0	-71.49	403.70	-0.72	-72.21
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028841485	0	49	0.0	-68.67	381.86	-1.41	-70.08
C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028841485	1	49	0.0	-66.79	387.09	-0.93	-67.72
CCCCCC[N@H+](C)CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028841534	0	60	0.0	-75.32	465.13	1.70	-73.62
CCCCCC[N@@H+](C)CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028841534	1	60	0.0	-75.25	465.12	1.70	-73.55
CC[NH+](CC)C(C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C(C)C	REAL300028841538	0	60	0.0	-63.07	440.87	1.64	-61.43
CC[NH+](CC)CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028841546	0	51	0.0	-69.92	394.06	-0.95	-70.87
CCC[N@@H+]1CCCC(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028841577	0	58	0.0	-64.13	439.47	1.23	-62.90
CCC[N@H+]1CCCC(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028841577	1	58	0.0	-67.49	439.57	1.13	-66.36
CC(C)[N@@H+]1CCOC(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028841592	0	56	0.0	-81.44	433.99	-0.45	-81.89
CC(C)[N@H+]1CCOC(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028841592	1	56	0.0	-71.97	427.16	-0.52	-72.49
CC1CC[NH+](CC(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300028841620	0	55	0.0	-74.32	423.93	0.43	-73.89
C[NH+]1CCC(OCC(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300028841645	0	56	0.0	-82.14	441.36	0.05	-82.09
C[NH+](C)CC1(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300028841655	0	52	0.0	-73.88	413.27	-0.28	-74.16
CC(C)[NH+]1CCC(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300028841723	0	58	0.0	-76.82	440.23	0.80	-76.02
C[NH+]1CCC(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300028841740	0	52	0.0	-79.95	405.94	-0.38	-80.33
CC(C)[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+](C)C	REAL300028841758	0	54	0.0	-68.83	406.14	-0.50	-69.33
CCC(C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+](CC)CC	REAL300028841788	0	57	0.0	-63.62	428.12	0.41	-63.21
CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028841842	0	51	0.0	-73.45	402.58	-0.82	-74.27
CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028841842	1	51	0.0	-73.39	402.58	-0.83	-74.22
CC1CCC[N@@H+]1CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028841893	0	52	0.0	-65.44	399.22	-0.12	-65.56
CC1CCC[N@H+]1CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028841893	1	52	0.0	-70.65	400.18	-0.67	-71.32
CC1CC[N@H+](CC(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028841895	0	52	0.0	-68.48	407.21	-0.28	-68.76
CC1CC[N@@H+](CC(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028841895	1	52	0.0	-67.72	405.88	0.18	-67.54
CC1(C)CC[N@H+](CC(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028841899	0	55	0.0	-68.75	427.47	0.30	-68.45
CC1(C)CC[N@@H+](CC(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028841899	1	55	0.0	-68.48	426.72	0.28	-68.20
C[N@H+](CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O)CC(C)(C)C	REAL300028841900	0	57	0.0	-73.81	431.03	0.44	-73.37
C[N@@H+](CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O)CC(C)(C)C	REAL300028841900	1	57	0.0	-73.70	431.18	0.50	-73.20
CC[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+](C)C	REAL300028841908	0	51	0.0	-67.94	395.62	-0.34	-68.28
C[NH+]1CCC(O)(CC(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300028842057	0	56	0.0	-73.15	429.03	-1.65	-74.80
C[NH+](C)CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842068	0	45	0.0	-74.52	361.41	-2.07	-76.59
O=C(C[NH+]1CCC(CO)CC1)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842072	1	56	0.0	-75.47	435.20	-2.87	-78.34
O=C(C[NH+]1CCCCCC1)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842073	0	55	0.0	-73.34	412.48	0.01	-73.33
CN1C=C[N+](CC(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)=C1	REAL300028842077	0	47	0.0	-71.83	392.58	1.46	-70.37
C[N@@H+]1CCCC(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028842084	0	52	0.0	-64.47	400.17	-0.13	-64.60
C[N@H+]1CCCC(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028842084	1	52	0.0	-67.53	399.70	-0.24	-67.77
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2CCC[N@@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300028842089	0	53	0.0	-67.94	414.32	-0.02	-67.96
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2CCC[N@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300028842089	1	53	0.0	-72.73	411.89	-0.18	-72.91
CC(C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+]1CCC1	REAL300028842113	1	49	0.0	-67.32	390.18	-0.91	-68.23
CCC(CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C[NH+](C)C	REAL300028842117	0	57	0.0	-81.07	436.47	0.56	-80.51
C[NH+](C)CC(C)(C)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842124	0	54	0.0	-70.87	408.10	-0.37	-71.24
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C23CC(C2)C[N@@H+]3C2CC2)C1)C1=CC(=O)[N-]O1	REAL300028842140	0	54	0.0	-67.82	419.19	0.73	-67.09
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C23CC(C2)C[N@H+]3C2CC2)C1)C1=CC(=O)[N-]O1	REAL300028842140	1	54	0.0	-71.39	420.35	1.31	-70.08
O=C(C[NH+]1CCC(O)CC1)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842148	1	53	0.0	-78.55	414.22	-3.53	-82.08
C[N@H+](CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CC1	REAL300028842149	0	49	0.0	-66.79	391.25	-0.59	-67.38
C[N@@H+](CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CC1	REAL300028842149	1	49	0.0	-71.57	390.78	-0.64	-72.21
CC(C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O)N1CC[NH+](C)CC1	REAL300028842150	1	57	0.0	-71.19	435.31	-2.15	-73.34
C[NH+]1CC(CC(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028842168	0	49	0.0	-73.17	393.91	-1.21	-74.38
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2CC[N@@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300028842172	0	56	0.0	-72.36	427.38	0.43	-71.93
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2CC[N@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300028842172	1	56	0.0	-67.97	427.09	0.50	-67.47
CC(C)(C)[N@@H+]1CCC1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842180	0	55	0.0	-65.60	422.01	0.22	-65.38
CC(C)(C)[N@H+]1CCC1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842180	1	55	0.0	-70.89	422.57	-0.35	-71.24
C[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+](C)C	REAL300028842191	0	48	0.0	-67.41	378.68	-1.10	-68.51
CCC1CCC[N@H+](CC(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028842226	0	58	0.0	-69.33	435.80	1.13	-68.20
CCC1CCC[N@@H+](CC(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028842226	1	58	0.0	-74.05	442.33	1.07	-72.98
C[NH+](C)CC1=CC=C(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)N1	REAL300028842233	0	53	0.0	-79.37	428.37	-0.51	-79.88
[NH2+]=C1SC=CN1CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842274	0	45	0.0	-70.32	389.14	-1.90	-72.22
C[N@H+](CCO)CCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842284	0	52	0.0	-73.22	412.93	-4.04	-77.26
C[N@@H+](CCO)CCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842284	1	52	0.0	-75.42	411.81	-4.07	-79.49
C[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+](C)C	REAL300028842285	0	48	0.0	-67.41	378.68	-1.10	-68.51
C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842289	0	52	0.0	-71.84	394.06	-0.65	-72.49
C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842289	1	52	0.0	-68.30	404.31	-0.42	-68.72
CC1CN2CC[N@@H+]1CC2C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842297	0	55	0.0	-78.73	414.16	-3.05	-81.78
CC1CN2CC[N@H+]1CC2C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842297	1	55	0.0	-77.24	413.63	-3.07	-80.31
O=C(CC1=CC2=C[NH+]=CN2C=C1)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842338	0	50	0.0	-73.94	415.76	2.14	-71.80
C[N@H+](CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CCSC1	REAL300028842360	0	53	0.0	-79.38	420.88	0.17	-79.21
C[N@@H+](CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CCSC1	REAL300028842360	1	53	0.0	-77.41	421.82	0.19	-77.22
O=C(C[NH+]1CCC1)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842361	1	46	0.0	-74.43	371.50	-1.63	-76.06
C[N@@H+]1CCC(=CC(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028842389	0	50	0.0	-75.88	401.22	-0.48	-76.36
C[N@H+]1CCC(=CC(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028842389	1	50	0.0	-75.83	401.21	-0.46	-76.29
C[NH+](C)CCOCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842422	0	52	0.0	-75.45	417.28	-1.01	-76.46
CCCCC[N@H+](C)CCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842427	0	60	0.0	-75.07	467.07	1.49	-73.58
CCCCC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842427	1	60	0.0	-75.07	467.07	1.48	-73.59
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)O1	REAL300028842436	0	56	0.0	-76.81	438.52	0.11	-76.70
C=CCC(C)(C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+](C)C	REAL300028842443	0	55	0.0	-64.50	417.23	0.10	-64.40
C[S+](C)CCC(O)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842447	0	51	0.0	-73.69	426.71	-2.30	-75.99
C[N@@H+]1CC(O)CC1(C)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842472	0	53	0.0	-72.89	407.47	-3.39	-76.28
CN1CC[N@H+](C)CC(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028842482	0	57	0.0	-72.69	431.53	-1.90	-74.59
CN1CC[N@@H+](C)CC(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028842482	1	57	0.0	-72.69	431.53	-1.90	-74.59
CC(C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[N@@H+]1CCCC(O)C1	REAL300028842483	0	56	0.0	-70.06	431.33	-2.89	-72.95
O=C(CN1CCC(CO)CC1)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842492	0	56	0.0	-75.47	435.20	-2.87	-78.34
O=C(C[NH+]1CCC(CO)CC1)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842492	1	56	0.0	-75.47	435.20	-2.87	-78.34
C[N@@H+]1CCCC(O)(CC(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028842501	0	56	0.0	-70.67	431.71	-1.68	-72.35
C[N@H+]1CCCC(O)(CC(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028842501	1	56	0.0	-70.67	431.71	-1.68	-72.35
CC1CN(CC(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028842504	0	49	0.0	-72.17	392.59	-0.87	-73.04
CC1C[NH+](CC(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028842504	1	49	0.0	-72.17	392.59	-0.87	-73.04
CN(CCO)CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842530	0	49	0.0	-74.37	390.13	-4.65	-79.02
C[N@H+](CCO)CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842530	1	49	0.0	-74.74	389.28	-4.62	-79.36
C[N@@H+](CCO)CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842530	1	49	0.0	-74.74	389.28	-4.62	-79.36
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2C[N@@H+]3CCN2CCC3)C1)C1=CC(=O)[N-]O1	REAL300028842552	0	55	0.0	-79.63	409.52	-2.75	-82.38
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2C[N@H+]3CCN2CCC3)C1)C1=CC(=O)[N-]O1	REAL300028842552	1	55	0.0	-79.63	409.52	-2.75	-82.38
CC[N@@H+]1CCCC(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028842558	0	55	0.0	-65.61	418.32	0.49	-65.12
CC[N@H+]1CCCC(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028842558	1	55	0.0	-65.61	418.32	0.49	-65.12
CC(CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C[NH+](C)C	REAL300028842560	0	54	0.0	-76.02	419.23	-0.08	-76.10
CC[N@H+](C)CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842570	0	48	0.0	-73.73	379.13	-1.38	-75.11
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C23CCC[N@@H+]2CCCC3)C1)C1=CC(=O)[N-]O1	REAL300028842591	0	56	0.0	-69.75	416.65	0.55	-69.20
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C23CCC[N@H+]2CCCC3)C1)C1=CC(=O)[N-]O1	REAL300028842591	1	56	0.0	-69.75	416.65	0.55	-69.20
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C23CCC[N@@H+]2CC=CC3)C1)C1=CC(=O)[N-]O1	REAL300028842596	0	54	0.0	-70.02	407.84	0.93	-69.09
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C23CCC[N@H+]2CC=CC3)C1)C1=CC(=O)[N-]O1	REAL300028842596	1	54	0.0	-70.02	407.84	0.93	-69.09
CC[N@H+](CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CC1	REAL300028842616	0	52	0.0	-71.17	407.39	-0.03	-71.20
CC[NH+](CC)CCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842631	0	54	0.0	-72.79	416.08	-0.38	-73.17
CC1(C)CN(CC(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028842651	0	52	0.0	-74.36	412.00	-0.43	-74.79
CC1(C)C[NH+](CC(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028842651	1	52	0.0	-74.36	412.00	-0.43	-74.79
CC1(O)CC[N@H+](CC(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028842675	0	53	0.0	-70.58	418.30	-3.57	-74.15
C[NH+](C)CC=CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842682	0	49	0.0	-74.81	397.98	-0.78	-75.59
CC(OCC[NH+](C)C)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842701	0	55	0.0	-69.41	437.54	-0.19	-69.60
C[NH+](C)CCOCCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842709	0	55	0.0	-75.47	438.23	-1.27	-76.74
COCCN(C)CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842710	0	52	0.0	-74.51	411.53	-2.21	-76.72
COCC[N@H+](C)CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842710	1	52	0.0	-74.78	411.74	-2.22	-77.00
COCC[N@@H+](C)CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842710	1	52	0.0	-74.78	411.74	-2.22	-77.00
C[NH+](C)C1(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CCCC1	REAL300028842739	0	55	0.0	-79.76	412.80	0.22	-79.54
CC(CCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+](C)C	REAL300028842742	0	54	0.0	-75.92	416.12	-0.30	-76.22
CCN1CCC1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842749	0	49	0.0	-68.87	393.46	-0.97	-69.84
CC[N@@H+]1CCC1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842749	1	49	0.0	-71.46	386.58	-1.42	-72.88
CC[N@H+]1CCC1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842749	1	49	0.0	-71.46	386.58	-1.42	-72.88
CC(C)[N@@H+]1CCCC(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028842759	0	58	0.0	-72.51	440.30	0.73	-71.78
CC(C)[N@H+]1CCCC(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028842759	1	58	0.0	-72.51	440.30	0.73	-71.78
O=C(C[N@H+]1CCCC1CO)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842771	0	53	0.0	-68.76	411.63	-3.95	-72.71
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2CC3CCCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300028842793	0	56	0.0	-71.20	429.35	0.66	-70.54
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2CC3CCCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300028842793	1	56	0.0	-71.20	429.35	0.66	-70.54
C[NH+]1CCC(C)(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300028842799	0	55	0.0	-68.83	419.10	0.14	-68.69
C=CCC(C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+](C)C	REAL300028842826	0	52	0.0	-67.25	405.42	-0.44	-67.69
C[N@@H+]1CC(C)(C)CC1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842836	0	55	0.0	-70.16	422.74	-0.41	-70.57
C[NH+](C)CCCCCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842839	0	57	0.0	-74.55	449.34	0.89	-73.66
O=C(C[NH+]1CC2CC2C1)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842847	0	50	0.0	-73.74	397.77	-0.18	-73.92
CC1C[N@@H+]2CCN1C(C(=O)NC[C@H]1C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]1O)C2	REAL300028842872	0	55	0.0	-72.95	401.95	-2.20	-75.15
CC1C[N@H+]2CCN1C(C(=O)NC[C@H]1C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]1O)C2	REAL300028842872	1	55	0.0	-76.63	414.92	-2.97	-79.60
CCCC(C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+](C)C	REAL300028842873	0	54	0.0	-67.09	412.48	0.28	-66.81
C[NH+](C)C(C)(C)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842877	0	51	0.0	-78.90	388.86	-0.92	-79.82
C[N@@H+]1CCCCC1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842915	0	52	0.0	-70.31	403.33	-0.45	-70.76
C[N@H+]1CCCCC1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842915	1	52	0.0	-69.27	394.98	-0.57	-69.84
C[N@H+]1CC=C(CC(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300028842948	0	53	0.0	-73.81	420.53	0.28	-73.53
C[N@@H+]1CC=C(CC(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300028842948	1	53	0.0	-71.68	421.19	0.26	-71.42
O=C(CC1([NH+]2CCCC2)CC1)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028842957	0	56	0.0	-71.55	426.50	0.67	-70.88
C[NH+](C)CC1=CC=C(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)O1	REAL300028842999	1	52	0.0	-76.28	426.39	-0.15	-76.43
O=C(C=CC[NH+]1CCCC1)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028843015	0	53	0.0	-75.34	424.64	0.42	-74.92
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C3CC3)CC2)C1)C1=CC(=O)[N-]O1	REAL300028843035	0	56	0.0	-73.35	436.22	1.07	-72.28
C[NH+](C)C1(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300028843053	0	49	0.0	-72.18	385.71	-0.88	-73.06
O=C(CC[NH+]1CCCC1)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028843055	0	52	0.0	-72.95	409.79	-0.38	-73.33
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2C[NH+]3CCN2CC3)C1)C1=CC(=O)[N-]O1	REAL300028843088	0	52	0.0	-76.20	398.30	-3.52	-79.72
C[N@@H+]1CC2CC1(C(=O)NC[C@H]1C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]1O)C2	REAL300028843097	0	50	0.0	-73.86	394.36	-0.81	-74.67
C[N@H+]1CC2CC1(C(=O)NC[C@H]1C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]1O)C2	REAL300028843097	1	50	0.0	-70.25	391.60	-0.39	-70.64
O=C(C[N@@H+]1CC2CCC1C2)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028843109	0	53	0.0	-66.61	406.24	-0.04	-66.65
O=C(C[N@H+]1CC2CCC1C2)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028843109	1	53	0.0	-71.00	405.52	-0.16	-71.16
O=C(C=C1C[NH+]2CCC1CC2)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028843146	0	54	0.0	-67.86	418.45	0.40	-67.46
O=C(C[N@@H+]1CC2C=CC1C2)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028843156	1	51	0.0	-65.53	399.38	0.37	-65.16
O=C(C[N@H+]1CC2C=CC1C2)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028843156	1	51	0.0	-67.42	401.64	0.02	-67.40
CC[NH+]1CCN(CC(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300028843185	0	57	0.0	-71.69	438.73	-1.89	-73.58
CC(C[NH+](C)C)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028843201	0	51	0.0	-71.42	400.26	-0.69	-72.11
C[N@@H+]1CCCCC1CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028843266	0	55	0.0	-74.16	421.56	0.20	-73.96
C[N@H+]1CCCCC1CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028843266	1	55	0.0	-76.46	421.28	0.13	-76.33
CC1=C2C=C(C(=O)NC[C@H]3C[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@H]3O)C=CN2C=[NH+]1	REAL300028843282	1	50	0.0	-73.02	412.89	2.58	-70.44
CC(C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+]1CC(C)C1	REAL300028843283	1	52	0.0	-67.46	409.99	-0.25	-67.71
CC1CC[N@@H+]1CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028843286	1	49	0.0	-67.50	387.79	-1.17	-68.67
CC1CC[N@H+]1CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028843286	1	49	0.0	-72.24	393.38	-1.00	-73.24
C[NH+](C)CC(O)CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028843289	0	52	0.0	-79.28	414.53	-3.05	-82.33
CC1C[N@H+](C)CC(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)O1	REAL300028843315	1	53	0.0	-86.56	413.41	-1.34	-87.90
CC1C[N@@H+](C)CC(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)O1	REAL300028843315	1	53	0.0	-78.65	413.72	-0.79	-79.44
O=C(CC[NH+]1CCC(O)CC1)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028843324	0	56	0.0	-78.88	436.50	-2.98	-81.86
CCC[N@@H+]1CCCCC1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028843326	0	58	0.0	-66.28	433.71	0.87	-65.41
CCC[N@H+]1CCCCC1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028843326	1	58	0.0	-66.24	433.68	0.87	-65.37
C[NH+](C)[C@H]1C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028843390	0	52	0.0	-76.28	411.09	-0.32	-76.60
CC(CC[NH+](C)C)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028843398	0	54	0.0	-72.14	421.90	-0.07	-72.21
C[N@H+](CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[C@@H]1CCC[C@H]1O	REAL300028843418	0	56	0.0	-67.32	432.83	-2.75	-70.07
C[N@@H+](CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[C@@H]1CCC[C@H]1O	REAL300028843418	1	56	0.0	-68.28	432.83	-2.75	-71.03
C#CC[N@H+]1CCCCC1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028843424	1	54	0.0	-66.14	429.13	0.83	-65.31
C#CC[N@@H+]1CCCCC1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028843424	1	54	0.0	-71.52	419.25	0.57	-70.95
C[NH+]1CCN(CC(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300028843427	1	54	0.0	-74.73	420.41	-2.55	-77.28
CC[NH+]1CCN(CC(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300028843436	0	57	0.0	-71.69	438.73	-1.89	-73.58
NC(=[NH2+])SCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028843459	0	43	0.0	-76.85	369.32	-5.10	-81.95
CC[N@@H+]1CCOCC1CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028843492	0	56	0.0	-76.60	425.05	-1.74	-78.34
C[NH+](C)C1CCC(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300028843507	0	58	0.0	-74.48	440.67	0.89	-73.59
C[NH+](C)CCC1(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300028843508	0	55	0.0	-79.85	437.09	0.50	-79.35
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300028843510	0	58	0.0	-67.47	432.83	1.20	-66.27
C[N@@H+]1CC=CCC1CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028843511	0	53	0.0	-76.81	413.26	-0.02	-76.83
C[N@H+]1CC=CCC1CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028843511	1	53	0.0	-76.81	413.26	-0.02	-76.83
C[C@@H](OCC[NH+](C)C)C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028843532	0	55	0.0	-69.27	437.52	-0.21	-69.48
C[NH+]1C2CCC1CC(C(=O)NC[C@H]1C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]1O)C2	REAL300028843557	0	56	0.0	-72.77	404.68	0.41	-72.36
CC(C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+]1CCSCC1	REAL300028843655	1	53	0.0	-74.45	417.41	-0.23	-74.68
CCC1C[NH+](CC(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028843657	1	52	0.0	-74.98	414.03	-0.17	-75.15
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2([NH+]3CCCC3)CCC2)C1)C1=CC(=O)[N-]O1	REAL300028843659	0	56	0.0	-68.58	423.52	0.73	-67.85
C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028843666	1	49	0.0	-68.77	381.84	-1.41	-70.18
O=C(CC[N@H+]1CCC(F)C1)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028843673	1	52	0.0	-78.36	416.29	-0.26	-78.62
COC1C[N@@H+](C)C(C)(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300028843681	1	56	0.0	-78.59	431.76	-1.59	-80.18
O=C(CC[NH+]1CCCCCC1)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028843689	0	58	0.0	-77.34	435.40	0.57	-76.77
O=C(C[NH+]1CCCCC1)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028843691	0	52	0.0	-73.55	403.07	-0.19	-73.74
CC1C(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC[N@@H+]1C	REAL300028843701	0	52	0.0	-74.12	407.41	-0.50	-74.62
CC1C(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC[N@H+]1C	REAL300028843701	1	52	0.0	-73.26	399.94	-0.80	-74.06
C[N@@H+]1CCCCC1CCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028843703	0	58	0.0	-71.57	443.41	0.92	-70.65
C[N@H+]1CCCCC1CCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028843703	1	58	0.0	-69.82	443.16	0.97	-68.85
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2CC[N@@H+]3CCOCC23)C1)C1=CC(=O)[N-]O1	REAL300028843725	0	54	0.0	-75.42	421.24	-1.72	-77.14
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2CC[N@H+]3CCOCC23)C1)C1=CC(=O)[N-]O1	REAL300028843725	1	54	0.0	-69.45	417.44	-1.68	-71.13
CC1=[NH+]C=C2C=CC(C(=O)NC[C@H]3C[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@H]3O)=CN21	REAL300028843730	0	50	0.0	-72.64	412.99	1.21	-71.43
CN1CCOCC1CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028843743	0	53	0.0	-70.67	405.16	-2.39	-73.06
C[N@@H+]1CCOCC1CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028843743	1	53	0.0	-69.65	405.20	-2.40	-72.05
C[N@H+]1CCOCC1CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028843743	1	53	0.0	-70.67	405.16	-2.39	-73.06
CC1=C(C)[NH+]=C(CCC(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)N1	REAL300028843750	1	53	0.0	-67.67	432.72	-0.74	-68.41
C[N@@H+]1CCCC1C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028843920	0	49	0.0	-70.58	387.77	-1.13	-71.71
C[N@H+]1CCCC1C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028843920	1	49	0.0	-72.76	382.26	-1.44	-74.20
C[N@@H+]1CCOC(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028843946	1	50	0.0	-77.36	392.59	-1.71	-79.07
C[N@H+]1CCOC(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028843946	1	50	0.0	-86.55	398.78	-1.61	-88.16
CC1=[NH+]C=CN1CCCC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028844105	1	53	0.0	-71.29	433.36	0.90	-70.39
O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028844109	1	53	0.0	-79.43	416.62	-2.04	-81.47
O=C(NC[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300028844132	0	53	0.0	-77.59	406.06	-0.09	-77.68
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC3=C[NH+]=CN3C=C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300028844140	1	47	0.0	-77.08	392.40	1.51	-75.57
C[NH+](C)C1CCCC(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028844190	0	58	0.0	-69.60	433.70	0.61	-68.99
C[N@@H+]1CCC(CC(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028844193	0	52	0.0	-74.44	408.79	-0.43	-74.87
C[N@H+]1CCC(CC(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028844193	1	52	0.0	-76.97	407.81	-0.47	-77.44
CN(C)C1=CC=[NH+]C=C1C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028844204	0	51	0.0	-83.35	412.12	-1.28	-84.63
CCC(C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028844209	0	51	0.0	-71.52	391.19	-0.49	-72.01
C[NH+](C)CCCCC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028844263	0	54	0.0	-76.84	427.44	0.05	-76.79
CC(C)C(C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028844284	0	54	0.0	-70.96	406.53	-0.43	-71.39
CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028844286	0	54	0.0	-77.51	422.99	-0.12	-77.63
CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028844286	1	54	0.0	-77.56	422.99	-0.12	-77.68
CCC[N@H+](C)CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028844291	0	51	0.0	-73.83	401.59	-0.57	-74.40
CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028844291	1	51	0.0	-75.02	400.58	-0.63	-75.65
O=C(NC[C@H]1C[C@H](NC(=O)C23CC[N@H+](C2)CCC3)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300028844312	0	53	0.0	-75.26	403.76	-0.84	-76.10
O=C(NC[C@H]1C[C@H](NC(=O)C23CC[N@@H+](C2)CCC3)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300028844312	1	53	0.0	-81.75	402.89	-0.75	-82.50
CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028844337	0	60	0.0	-75.07	466.09	1.76	-73.31
CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028844337	1	60	0.0	-75.10	466.09	1.77	-73.33
CC[NH+](CC)C(C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300028844341	0	60	0.0	-67.23	442.54	1.24	-65.99
CC1CC[NH+](CC(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028844371	0	55	0.0	-75.57	424.35	0.42	-75.15
C[NH+]1CCC(OCC(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028844396	0	56	0.0	-82.24	441.32	0.01	-82.23
O=C(NC[C@H]1C[C@H](NC(=O)C2CC3CCCC[N@@H+]3C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300028844435	0	56	0.0	-73.94	429.98	0.77	-73.17
O=C(NC[C@H]1C[C@H](NC(=O)C2CC3CCCC[N@H+]3C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300028844435	1	56	0.0	-76.87	429.58	0.59	-76.28
C[NH+](C)CC1(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028844445	0	52	0.0	-71.65	414.48	-0.22	-71.87
CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028844456	0	58	0.0	-76.12	440.97	0.77	-75.35
CC[N@H+](C)CCC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028844476	0	51	0.0	-76.67	401.49	-0.86	-77.53
CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028844476	1	51	0.0	-75.80	402.17	-0.88	-76.68
CC(C)(C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300028844498	0	58	0.0	-74.06	431.36	0.89	-73.17
O=C(NC[C@H]1C[C@H](NC(=O)C2C[NH+]3CCC2CC3)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300028844506	0	53	0.0	-81.70	402.58	-0.30	-82.00
C[NH+]1CCC(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028844576	0	52	0.0	-77.14	406.91	-0.34	-77.48
CC(C)[C@H](C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028844594	0	54	0.0	-71.41	410.59	0.21	-71.20
CC[NH+](CC)CC(F)C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028844678	0	54	0.0	-74.74	419.83	0.25	-74.49
CC(C)C[N@@H+]1CCC(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028844707	0	58	0.0	-73.21	446.69	1.05	-72.16
CC(C)C[N@H+]1CCC(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028844707	1	58	0.0	-74.03	447.74	0.93	-73.10
C[NH+](C)C1(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300028844710	0	52	0.0	-76.77	397.79	-0.45	-77.22
CCC(C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300028844740	0	57	0.0	-67.16	427.97	0.35	-66.81
CC1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028844759	0	52	0.0	-71.69	407.39	-0.30	-71.99
CC1CCC[N@H+]1CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028844759	1	52	0.0	-71.64	400.02	-0.66	-72.30
CC(C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300028844809	0	58	0.0	-71.52	431.47	0.34	-71.18
CC(C)[N@@H+]1CCCCC1C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028844811	0	58	0.0	-67.49	434.93	0.57	-66.92
CC(C)[N@H+]1CCCCC1C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028844811	1	58	0.0	-68.55	429.05	0.48	-68.07
CC(C)[N@@H+]1CCCC1C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028844831	0	55	0.0	-71.07	408.33	-0.09	-71.16
CC(C)[N@H+]1CCCC1C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028844831	1	55	0.0	-71.59	414.44	0.13	-71.46
CC(C)[N@@H+]1CCCC1CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028844837	0	58	0.0	-67.12	431.27	0.45	-66.67
CC(C)[N@H+]1CCCC1CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028844837	1	58	0.0	-73.60	440.74	0.55	-73.05
CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028844849	0	54	0.0	-71.42	406.30	-0.54	-71.96
CC1CC[N@H+](CC(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028844868	0	52	0.0	-73.44	405.93	0.18	-73.26
CC1CC[N@@H+](CC(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028844868	1	52	0.0	-73.66	407.91	-0.31	-73.97
CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028844872	0	55	0.0	-72.87	427.28	0.29	-72.58
CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028844872	1	55	0.0	-73.72	427.33	0.15	-73.57
C[N@H+](CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300028844873	0	57	0.0	-74.82	430.98	0.45	-74.37
C[N@@H+](CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300028844873	1	57	0.0	-73.51	432.14	0.57	-72.94
CC[C@@H](C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028844881	0	51	0.0	-70.83	392.96	-0.98	-71.81
CC1=[NH+]C=CN1CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028845057	1	47	0.0	-70.04	391.41	-0.39	-70.43
CC(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028845058	0	56	0.0	-76.48	433.35	-1.33	-77.81
O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028845073	0	58	0.0	-76.28	446.90	1.17	-75.11
C[NH+](C)CC1=CC(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300028845087	1	51	0.0	-79.66	419.91	-0.97	-80.63
CC1=C(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300028845088	0	50	0.0	-73.11	406.41	1.90	-71.21
CC(C)C1=[NH+]C=CN1CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028845119	1	53	0.0	-68.59	427.66	0.74	-67.85
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C[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028846574	0	51	0.0	-77.49	389.24	-0.92	-78.41
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C[N@H+]1CCCCC1C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028846888	1	52	0.0	-72.02	403.32	-0.44	-72.46
C[N@@H+]1CCC(=CC(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028846994	0	50	0.0	-76.71	401.17	-0.43	-77.14
C[N@H+]1CCC(=CC(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028846994	1	50	0.0	-77.63	400.95	-0.54	-78.17
O=C(CNC1=CC=[NH+]C=C1)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028846999	0	48	0.0	-73.18	398.07	-2.72	-75.90
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C[N@H+](CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300028847100	0	56	0.0	-69.45	432.34	-2.55	-72.00
C[N@@H+](CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300028847100	1	56	0.0	-73.12	433.02	-2.88	-76.00
CCC1C[NH+](CC(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028847104	1	52	0.0	-75.42	414.53	-0.27	-75.69
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C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028847119	0	49	0.0	-70.31	387.98	-0.96	-71.27
C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028847119	1	49	0.0	-73.18	382.07	-1.54	-74.72
CC[N@@H+]1CCOCC1CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028847145	0	56	0.0	-77.90	429.84	-1.60	-79.50
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028847256	0	52	0.0	-73.95	411.93	-0.26	-74.21
C[NH+](C)C1CCC(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028847270	0	58	0.0	-72.72	433.65	0.64	-72.08
C[NH+](C)CCC1(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028847271	0	55	0.0	-76.43	437.36	0.58	-75.85
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028847273	0	58	0.0	-70.23	434.66	0.70	-69.53
C[N@@H+]1CC=CCC1CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028847274	0	53	0.0	-68.00	408.54	0.00	-68.00
C[N@H+]1CC=CCC1CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028847274	1	53	0.0	-68.00	408.54	0.00	-68.00
C[NH+](C)CCOCC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028847328	0	52	0.0	-73.50	418.22	-0.93	-74.43
CCCCC[N@H+](C)CCC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028847333	0	60	0.0	-78.50	465.99	1.44	-77.06
CCCCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028847333	1	60	0.0	-78.50	465.99	1.44	-77.06
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028847344	0	56	0.0	-74.31	441.19	-0.01	-74.32
[NH2+]=C1SC=CN1CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028847367	0	45	0.0	-69.55	389.07	-1.81	-71.36
C[C@@H](OCC[NH+](C)C)C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028847434	0	55	0.0	-72.92	437.74	-0.36	-73.28
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O=C(C[NH+]1CCCCC1)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028847472	0	52	0.0	-74.59	403.13	-0.21	-74.80
C[N@@H+]1CCCC(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028847474	0	52	0.0	-73.96	406.88	-0.37	-74.33
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C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028847496	1	52	0.0	-78.58	424.21	0.21	-78.37
O=C(C[NH+]1CCC(O)CC1)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028847512	1	53	0.0	-79.64	414.22	-3.55	-83.19
C[N@@H+](CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028847516	1	49	0.0	-71.49	391.77	-0.58	-72.07
CC(C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300028847518	1	57	0.0	-73.43	432.98	-2.26	-75.69
O=C(CC[N@H+]1CCC(F)C1)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028847520	1	52	0.0	-77.78	416.03	-0.12	-77.90
COC1C[N@@H+](C)C(C)(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028847529	1	56	0.0	-75.52	432.95	-1.58	-77.10
CC(CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300028847546	0	54	0.0	-75.16	419.53	0.00	-75.16
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CC1=[NH+]C=C2C=CC(C(=O)N[C@@H]3C[C@@H](O)[C@@H](CNC(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300028847563	0	50	0.0	-71.67	413.63	1.21	-70.46
CN1CCOCC1CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028847576	0	53	0.0	-80.41	412.75	-2.27	-82.68
C[N@@H+]1CCOCC1CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028847576	1	53	0.0	-80.41	412.68	-2.27	-82.68
C[N@H+]1CCOCC1CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028847576	1	53	0.0	-80.41	412.75	-2.27	-82.68
CC[NH+]1CCN(CC(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028847584	0	57	0.0	-73.95	437.65	-1.94	-75.89
CC1=CC(N)=[NH+]C=C1C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028847636	1	48	0.0	-77.82	390.59	-2.36	-80.18
NC1=CC=C(CCC(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300028847639	0	51	0.0	-74.80	420.41	-1.57	-76.37
CC1(O)CC[N@@H+](CC(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028847676	1	53	0.0	-73.38	417.93	-3.70	-77.08
C[NH+]1CC(CC(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028847708	0	49	0.0	-76.00	392.69	-1.25	-77.25
O=C(NC[C@H]1C[C@H](NC(=O)C2CC[N@H+]2C2CCCC2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300028847712	1	56	0.0	-73.72	431.17	1.31	-72.41
C[NH+](C)CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028847720	0	45	0.0	-75.41	361.35	-2.05	-77.46
C[N@H+](CCO)CCC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028847748	0	52	0.0	-76.61	411.85	-4.07	-80.68
C[N@@H+](CCO)CCC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028847748	1	52	0.0	-76.03	411.83	-4.10	-80.13
C[C@@H](C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028847749	0	48	0.0	-72.59	380.15	-1.67	-74.26
C[N@@H+]1CCCCC1CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028847767	0	55	0.0	-67.54	414.09	0.09	-67.45
C[N@H+]1CCCCC1CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028847767	1	55	0.0	-76.57	421.27	0.11	-76.46
CC1=C2C=C(C(=O)N[C@@H]3C[C@@H](O)[C@@H](CNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300028847786	1	50	0.0	-76.13	414.67	2.09	-74.04
CC(C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300028847787	1	52	0.0	-71.35	410.17	-0.25	-71.60
CC1CCN1CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028847791	0	49	0.0	-73.85	392.69	-0.97	-74.82
CC1CC[N@@H+]1CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028847791	1	49	0.0	-74.02	392.72	-0.99	-75.01
CC1CC[N@H+]1CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028847791	1	49	0.0	-73.85	392.69	-0.97	-74.82
C[NH+](C)CC=CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028847802	0	49	0.0	-77.09	399.09	-0.68	-77.77
CC1(C)C[NH+](CC(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028847814	1	52	0.0	-75.39	411.77	-0.51	-75.90
CC1=C(C)[NH+]=C(CCC(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300028847829	1	53	0.0	-68.99	432.59	-0.70	-69.69
CC1=C2C=C(C(=O)N[C@@H]3C[C@@H](O)[C@@H](CNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300028847840	1	50	0.0	-76.13	414.67	2.09	-74.04
C[NH+](C)CCSCC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028847849	0	52	0.0	-78.76	429.24	-0.06	-78.82
O=C(C[N@H+]1CCCC1CO)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028847874	0	53	0.0	-73.13	411.91	-3.94	-77.07
O=C(C[N@@H+]1CCCC1CO)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028847874	1	53	0.0	-73.01	411.95	-3.93	-76.94
CC[NH+](CC)CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028847878	0	51	0.0	-73.25	392.99	-0.99	-74.24
C[N@H+](CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300028847888	0	53	0.0	-80.41	420.70	0.19	-80.22
C[N@@H+](CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300028847888	1	53	0.0	-79.30	421.68	0.26	-79.04
O=C(C[NH+]1CCC1)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028847890	1	46	0.0	-74.25	370.83	-1.08	-75.33
CC[NH+](CC)CCC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028847934	0	54	0.0	-76.18	415.00	-0.43	-76.61
C[NH+](C)CC1=CNC(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300028847994	0	53	0.0	-76.62	428.24	-0.68	-77.30
CC(C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300028848011	0	56	0.0	-75.78	432.92	-3.17	-78.95
O=C(NC[C@H]1C[C@H](NC(=O)C2CC3COCC[N@@H+]3C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300028848016	0	54	0.0	-73.68	418.95	-1.12	-74.80
O=C(NC[C@H]1C[C@H](NC(=O)C2CC3COCC[N@H+]3C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300028848016	1	54	0.0	-73.30	419.18	-1.15	-74.45
CC(C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300028848028	1	49	0.0	-72.17	390.57	-0.55	-72.72
CCC(CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300028848033	0	57	0.0	-70.24	436.59	0.56	-69.68
NC1=CC=C(C=CC(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300028848040	0	49	0.0	-79.10	408.77	-1.86	-80.96
C[NH+](C)CC(C)(C)C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028848041	0	54	0.0	-71.88	411.47	-0.14	-72.02
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028848097	0	52	0.0	-71.89	394.72	-0.67	-72.56
C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028848097	1	52	0.0	-70.27	404.52	-0.42	-70.69
CC1CN2CC[N@@H+]1CC2C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028848111	0	55	0.0	-78.09	413.46	-3.09	-81.18
CC1CN2CC[N@H+]1CC2C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028848111	1	55	0.0	-79.40	413.16	-3.22	-82.62
C[NH+](C)CC(O)CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028848132	0	52	0.0	-78.30	415.05	-3.01	-81.31
C[NH+]1C2CCC1CC(C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028848134	0	56	0.0	-75.02	422.11	0.15	-74.87
C=CCC(C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028848165	0	52	0.0	-70.14	405.73	-0.44	-70.58
O=C(NC[C@H]1C[C@H](NC(=O)C2CC3CCCC[N@@H+]3C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300028848173	0	56	0.0	-73.94	429.98	0.77	-73.17
O=C(NC[C@H]1C[C@H](NC(=O)C2CC3CCCC[N@H+]3C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300028848173	1	56	0.0	-76.87	429.58	0.59	-76.28
C[NH+]1CCC(C)(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028848184	0	55	0.0	-73.59	419.36	0.00	-73.59
C[NH+]1CCC(O)(CC(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028848186	0	56	0.0	-77.21	431.89	-1.75	-78.96
CC1=C2C=C(C(=O)NC[C@H]3C[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@H]3O)C=CN2C=[NH+]1	REAL300028848258	1	50	0.0	-73.02	412.89	2.58	-70.44
C[NH+](C)CCSCC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300028848267	0	52	0.0	-81.06	428.30	-0.14	-81.20
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2CC3COCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300028848274	0	54	0.0	-69.50	420.28	-1.59	-71.09
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2CC3COCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300028848274	1	54	0.0	-71.78	420.78	-1.66	-73.44
C[N@@H+]1CCCC1C(=O)NCC1CC2(CN1C(=O)C1=CC(=O)[N-]O1)CCOCC2	REAL300028848384	0	56	0.0	-75.14	414.05	2.27	-72.87
C[N@H+]1CCCC1C(=O)NCC1CC2(CN1C(=O)C1=CC(=O)[N-]O1)CCOCC2	REAL300028848384	1	56	0.0	-73.58	421.43	2.77	-70.81
CCC(C(=O)NCC1CC2(CN1C(=O)C1=CC(=O)[N-]O1)CCOCC2)[NH+](C)C	REAL300028848493	0	58	0.0	-72.38	424.73	2.72	-69.66
CCC[N@H+](C)CC(=O)NCC1CC2(CN1C(=O)C1=CC(=O)[N-]O1)CCOCC2	REAL300028848498	0	58	0.0	-76.90	433.46	3.11	-73.79
CCC[N@@H+](C)CC(=O)NCC1CC2(CN1C(=O)C1=CC(=O)[N-]O1)CCOCC2	REAL300028848498	1	58	0.0	-76.82	433.47	3.12	-73.70
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC2(CN1C(=O)C1=CC(=O)[N-]O1)CCOCC2	REAL300028848506	0	56	0.0	-75.08	414.00	2.26	-72.82
C[N@H+]1CCC[C@@H]1C(=O)NCC1CC2(CN1C(=O)C1=CC(=O)[N-]O1)CCOCC2	REAL300028848506	1	56	0.0	-74.52	421.33	2.76	-71.76
CC[NH+](CC)CC(=O)NCC1CC2(CN1C(=O)C1=CC(=O)[N-]O1)CCOCC2	REAL300028848511	0	58	0.0	-74.96	429.59	3.03	-71.93
CC[N@H+](C)CCC(=O)NCC1CC2(CN1C(=O)C1=CC(=O)[N-]O1)CCOCC2	REAL300028848570	0	58	0.0	-78.88	434.33	2.92	-75.96
CC[N@@H+](C)CCC(=O)NCC1CC2(CN1C(=O)C1=CC(=O)[N-]O1)CCOCC2	REAL300028848570	1	58	0.0	-79.04	434.33	2.90	-76.14
CC[C@@H](C(=O)NCC1CC2(CN1C(=O)C1=CC(=O)[N-]O1)CCOCC2)[NH+](C)C	REAL300028848573	0	58	0.0	-75.06	425.66	2.69	-72.37
C[NH+](C)CC(=O)NCC1CC2(CN1C(=O)C1=CC(=O)[N-]O1)CCOCC2	REAL300028848591	0	52	0.0	-77.34	394.24	1.70	-75.64
CC(C(=O)NCC1CC2(CN1C(=O)C1=CC(=O)[N-]O1)CCOCC2)[NH+]1CCC1	REAL300028848595	1	56	0.0	-76.30	424.20	2.71	-73.59
C[N@H+](CC(=O)NCC1CC2(CN1C(=O)C1=CC(=O)[N-]O1)CCOCC2)C1CC1	REAL300028848602	0	56	0.0	-73.77	423.50	3.11	-70.66
C[N@@H+](CC(=O)NCC1CC2(CN1C(=O)C1=CC(=O)[N-]O1)CCOCC2)C1CC1	REAL300028848602	1	56	0.0	-74.15	423.64	3.11	-71.04
C[NH+]1CC(CC(=O)NCC2CC3(CN2C(=O)C2=CC(=O)[N-]O2)CCOCC3)C1	REAL300028848608	0	56	0.0	-77.39	425.68	2.53	-74.86
C[C@@H](C(=O)NCC1CC2(CN1C(=O)C1=CC(=O)[N-]O1)CCOCC2)[NH+](C)C	REAL300028848616	0	55	0.0	-74.64	411.26	2.20	-72.44
C[C@@H](C(=O)NCC1CC2(CN1C(=O)C1=CC(=O)[N-]O1)CCOCC2)[NH+](C)C	REAL300028848638	0	55	0.0	-74.64	411.26	2.20	-72.44
O=C(C[NH+]1CCC1)NCC1CC2(CN1C(=O)C1=CC(=O)[N-]O1)CCOCC2	REAL300028848657	1	53	0.0	-77.10	404.37	2.14	-74.96
C[C@H](C(=O)NCC1CC2(CN1C(=O)C1=CC(=O)[N-]O1)CCOCC2)[NH+](C)C	REAL300028848668	0	55	0.0	-74.31	411.56	2.20	-72.11
CC1C[NH+](CC(=O)NCC2CC3(CN2C(=O)C2=CC(=O)[N-]O2)CCOCC3)C1	REAL300028848676	1	56	0.0	-78.30	425.23	2.86	-75.44
C[N@H+](CCO)CC(=O)NCC1CC2(CN1C(=O)C1=CC(=O)[N-]O1)CCOCC2	REAL300028848687	1	56	0.0	-77.16	422.32	-0.87	-78.03
C[N@@H+](CCO)CC(=O)NCC1CC2(CN1C(=O)C1=CC(=O)[N-]O1)CCOCC2	REAL300028848687	1	56	0.0	-77.73	422.11	-0.88	-78.61
CC[N@H+](C)CC(=O)NCC1CC2(CN1C(=O)C1=CC(=O)[N-]O1)CCOCC2	REAL300028848694	0	55	0.0	-76.60	411.97	2.36	-74.24
CC[N@@H+](C)CC(=O)NCC1CC2(CN1C(=O)C1=CC(=O)[N-]O1)CCOCC2	REAL300028848694	1	55	0.0	-76.53	411.97	2.37	-74.16
C[NH+](C)CC=CC(=O)NCC1CC2(CN1C(=O)C1=CC(=O)[N-]O1)CCOCC2	REAL300028848713	0	56	0.0	-82.26	430.91	2.90	-79.36
CC[N@@H+]1CCC1C(=O)NCC1CC2(CN1C(=O)C1=CC(=O)[N-]O1)CCOCC2	REAL300028848719	1	56	0.0	-75.06	419.61	2.42	-72.64
CC[N@H+]1CCC1C(=O)NCC1CC2(CN1C(=O)C1=CC(=O)[N-]O1)CCOCC2	REAL300028848719	1	56	0.0	-77.16	425.54	2.73	-74.43
C[NH+](C)C(C)(C)C(=O)NCC1CC2(CN1C(=O)C1=CC(=O)[N-]O1)CCOCC2	REAL300028848733	0	58	0.0	-83.68	421.70	2.85	-80.83
C[NH+](C)C1(C(=O)NCC2CC3(CN2C(=O)C2=CC(=O)[N-]O2)CCOCC3)CC1	REAL300028848758	0	56	0.0	-58.16	410.43	4.39	-53.77
CC(C[NH+](C)C)C(=O)NCC1CC2(CN1C(=O)C1=CC(=O)[N-]O1)CCOCC2	REAL300028848781	0	58	0.0	-79.03	433.32	2.96	-76.07
CC1CC[N@@H+]1CC(=O)NCC1CC2(CN1C(=O)C1=CC(=O)[N-]O1)CCOCC2	REAL300028848793	1	56	0.0	-74.71	420.03	2.52	-72.19
CC1CC[N@H+]1CC(=O)NCC1CC2(CN1C(=O)C1=CC(=O)[N-]O1)CCOCC2	REAL300028848793	1	56	0.0	-75.67	425.44	2.78	-72.89
NC(=[NH2+])SCC(=O)NCC1CC2(CN1C(=O)C1=CC(=O)[N-]O1)CCOCC2	REAL300028848816	0	50	0.0	-79.79	402.16	-1.35	-81.14
C[N@@H+]1CCC[C@H]1C(=O)NCC1CC2(CN1C(=O)C1=CC(=O)[N-]O1)CCOCC2	REAL300028848848	0	56	0.0	-73.33	419.97	2.67	-70.66
C[N@H+]1CCC[C@H]1C(=O)NCC1CC2(CN1C(=O)C1=CC(=O)[N-]O1)CCOCC2	REAL300028848848	1	56	0.0	-78.32	414.14	2.25	-76.07
C[N@@H+]1CCCC1C(=O)N1CC2(CC1CNC(=O)C1=CC(=O)[N-]O1)CCOCC2	REAL300028848962	0	56	0.0	-73.07	416.27	2.30	-70.77
C[N@H+]1CCCC1C(=O)N1CC2(CC1CNC(=O)C1=CC(=O)[N-]O1)CCOCC2	REAL300028848962	1	56	0.0	-70.14	416.51	2.31	-67.83
CCC(C(=O)N1CC2(CC1CNC(=O)C1=CC(=O)[N-]O1)CCOCC2)[NH+](C)C	REAL300028849041	0	58	0.0	-70.61	426.34	2.78	-67.83
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CC[N@@H+](C)CCC(=O)N1CC2(CC1CNC(=O)C1=CC(=O)[N-]O1)CCOCC2	REAL300028849063	1	58	0.0	-75.55	437.61	3.06	-72.49
CC[C@@H](C(=O)N1CC2(CC1CNC(=O)C1=CC(=O)[N-]O1)CCOCC2)[NH+](C)C	REAL300028849106	0	58	0.0	-72.65	427.26	2.88	-69.77
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(CC1CNC(=O)C1=CC(=O)[N-]O1)CCOCC2	REAL300028849153	0	56	0.0	-73.11	415.57	2.30	-70.81
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(CC1CNC(=O)C1=CC(=O)[N-]O1)CCOCC2	REAL300028849153	1	56	0.0	-69.91	421.53	2.74	-67.17
C[C@@H](C(=O)N1CC2(CC1CNC(=O)C1=CC(=O)[N-]O1)CCOCC2)[NH+](C)C	REAL300028849209	0	55	0.0	-72.05	413.59	2.20	-69.85
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C[N@@H+](CCO)CC(=O)N1CC2(CC1CNC(=O)C1=CC(=O)[N-]O1)CCOCC2	REAL300028849219	1	56	0.0	-73.88	425.34	-0.74	-74.62
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CCC[N@@H+](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCC2	REAL300028850034	1	57	0.0	-66.14	416.94	4.74	-61.40
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C[NH+](C)CC=CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCC2	REAL300028850502	0	55	0.0	-70.58	414.94	4.59	-65.99
COCC[N@H+](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCC2	REAL300028850511	1	58	0.0	-65.95	427.53	3.05	-62.90
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CC(CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCC2)[NH+](C)C	REAL300028850523	0	60	0.0	-67.06	434.85	4.98	-62.08
CC[N@@H+]1CCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCC2	REAL300028850529	1	55	0.0	-63.93	402.26	3.91	-60.02
CC[N@H+]1CCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCC2	REAL300028850529	1	55	0.0	-64.60	407.39	4.18	-60.42
C=CCC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCC2)[NH+](C)C	REAL300028850557	0	58	0.0	-64.19	421.44	4.79	-59.40
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CCCC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCC2)[NH+](C)C	REAL300028850574	0	60	0.0	-64.59	429.28	5.07	-59.52
C[NH+](C)C(C)(C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCC2	REAL300028850576	0	57	0.0	-64.59	405.17	4.50	-60.09
C[N@@H+]1CCCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCC2	REAL300028850588	0	58	0.0	-63.29	418.66	4.80	-58.49
C[N@H+]1CCCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCC2	REAL300028850588	1	58	0.0	-64.10	410.42	4.74	-59.36
C[NH+](C)C1(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC23CCC3)CC1	REAL300028850630	0	55	0.0	-65.25	400.24	4.55	-60.70
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C[N@@H+]1CC2CC1(C(=O)NCC1CN(C(=O)C3=CC(=O)[N-]O3)CCC13CCC3)C2	REAL300028850644	0	56	0.0	-64.37	407.90	4.43	-59.94
C[N@H+]1CC2CC1(C(=O)NCC1CN(C(=O)C3=CC(=O)[N-]O3)CCC13CCC3)C2	REAL300028850644	1	56	0.0	-64.02	404.92	4.77	-59.25
CC(C[NH+](C)C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCC2	REAL300028850682	0	57	0.0	-67.35	416.12	4.61	-62.74
CC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCC2)[NH+]1CC(C)C1	REAL300028850707	1	58	0.0	-63.36	424.72	4.89	-58.47
CC1CC[N@@H+]1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCC2	REAL300028850708	1	55	0.0	-63.97	403.49	4.14	-59.83
CC1CC[N@H+]1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCC2	REAL300028850708	1	55	0.0	-64.75	408.83	4.30	-60.45
C[NH+](C)CC(O)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCC2	REAL300028850710	0	58	0.0	-71.03	430.41	2.34	-68.69
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CC(CC[NH+](C)C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCC2	REAL300028850747	0	60	0.0	-68.28	437.75	5.23	-63.05
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C[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCC2	REAL300028850843	0	55	0.0	-63.55	403.72	4.33	-59.22
C[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCC2	REAL300028850843	1	55	0.0	-64.75	397.66	3.88	-60.87
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CC1C(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC23CCC3)CC[N@@H+]1C	REAL300028850856	0	58	0.0	-67.42	415.14	4.59	-62.83
CC1C(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC23CCC3)CC[N@H+]1C	REAL300028850856	1	58	0.0	-67.36	415.00	4.54	-62.82
C[N@@H+]1CCCC1C(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028851038	0	55	0.0	-57.74	403.70	4.27	-53.47
C[N@H+]1CCCC1C(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028851038	1	55	0.0	-69.23	401.85	4.28	-64.95
C[N@@H+]1CCOC(C(=O)N2CCC3(CCC3)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028851064	1	56	0.0	-87.20	413.40	3.72	-83.48
C[N@H+]1CCOC(C(=O)N2CCC3(CCC3)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028851064	1	56	0.0	-76.29	406.30	3.57	-72.72
C[N@@H+]1CCC(CC(=O)N2CCC3(CCC3)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028851216	0	58	0.0	-75.22	427.49	5.09	-70.13
C[N@H+]1CCC(CC(=O)N2CCC3(CCC3)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028851216	1	58	0.0	-75.38	426.52	5.13	-70.25
CCC(C(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028851219	0	57	0.0	-70.40	407.75	4.39	-66.01
C[NH+](C)CCCCC(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028851234	0	60	0.0	-75.82	444.16	5.58	-70.24
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CCC[N@H+](C)CCC(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028851241	0	60	0.0	-75.75	442.27	5.48	-70.27
CCC[N@@H+](C)CCC(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028851241	1	60	0.0	-75.75	442.29	5.49	-70.26
CCC[N@H+](C)CC(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028851242	0	57	0.0	-72.41	418.06	4.83	-67.58
CCC[N@@H+](C)CC(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028851242	1	57	0.0	-72.25	418.03	4.81	-67.44
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CC[N@@H+](C)CCC(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028851295	1	57	0.0	-74.84	418.90	4.67	-70.17
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C[NH+](C)C1(C(=O)N2CCC3(CCC3)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300028851376	0	58	0.0	-77.03	403.49	4.36	-72.67
CC1CCC[N@@H+]1CC(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028851402	0	58	0.0	-69.29	426.74	5.15	-64.14
CC1CCC[N@H+]1CC(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028851402	1	58	0.0	-69.80	424.12	5.20	-64.60
CC(C)[C@@H](C(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028851416	0	60	0.0	-70.78	423.20	5.13	-65.65
CC1CC[N@H+](CC(=O)N2CCC3(CCC3)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028851424	0	58	0.0	-71.61	425.96	5.16	-66.45
CC1CC[N@@H+](CC(=O)N2CCC3(CCC3)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028851424	1	58	0.0	-71.90	426.71	5.21	-66.69
CC[C@@H](C(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028851427	0	57	0.0	-70.91	411.27	4.53	-66.38
CC1=[NH+]C=CN1CC(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028851471	1	53	0.0	-68.30	407.19	4.98	-63.32
CC1=C[NH+]=CN1CC(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028851499	1	53	0.0	-70.97	407.51	5.70	-65.27
C[C@@H]1[C@H](C(=O)N2CCC3(CCC3)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028851501	0	58	0.0	-75.62	413.67	4.74	-70.88
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C[N@@H+](CC(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300028851543	1	58	0.0	-70.29	425.12	5.38	-64.91
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C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028851566	0	55	0.0	-70.83	397.17	3.98	-66.85
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O=C(CC[NH+]1CCCC1)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028851715	0	58	0.0	-74.32	429.01	5.26	-69.06
C[N@H+](CCO)CC(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028851720	1	55	0.0	-73.18	406.88	0.84	-72.34
C[N@@H+](CCO)CC(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028851720	1	55	0.0	-72.98	406.93	0.86	-72.12
CC1C[NH+](CC(=O)N2CCC3(CCC3)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028851778	1	55	0.0	-72.80	411.87	4.57	-68.23
NC1=[NH+]C=CC=C1CC(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028851784	0	54	0.0	-67.03	413.05	3.25	-63.78
CC[N@H+](C)CC(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028851820	0	54	0.0	-72.11	396.53	4.07	-68.04
CC[N@@H+](C)CC(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028851820	1	54	0.0	-72.15	396.57	4.09	-68.06
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CC(CCC(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028851883	0	60	0.0	-78.03	432.27	5.21	-72.82
CC[N@H+](CC(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028851889	0	58	0.0	-68.71	427.62	5.43	-63.28
CC[N@@H+](CC(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028851889	1	58	0.0	-69.83	427.06	5.51	-64.32
C[N@@H+]1CC2CC1(C(=O)N1CCC3(CCC3)C(CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028851904	0	56	0.0	-57.38	407.43	4.60	-52.78
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CC(C[NH+](C)C)C(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028851915	0	57	0.0	-81.56	419.57	4.68	-76.88
C[NH+](C)C1(C(=O)N2CCC3(CCC3)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028851921	0	55	0.0	-75.91	402.70	4.05	-71.86
C[C@H](C(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028851934	0	54	0.0	-70.45	395.12	3.76	-66.69
CC[N@@H+]1CCC1C(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028851937	1	55	0.0	-69.87	404.56	4.18	-65.69
CC[N@H+]1CCC1C(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028851937	1	55	0.0	-69.88	403.56	4.11	-65.77
NC1=CC=[NH+]C=C1C(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028851959	0	51	0.0	-74.39	392.48	1.45	-72.94
CCCC(C(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028851964	0	60	0.0	-69.32	430.27	5.16	-64.16
C[NH+](C)C(C)(C)C(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028851967	0	57	0.0	-75.24	400.97	3.99	-71.25
CC(CC[NH+](C)C)C(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028851978	0	60	0.0	-74.48	438.04	5.14	-69.34
O=C(C[NH+]1CC2CC2C1)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028852053	0	56	0.0	-72.70	414.31	5.29	-67.41
C[N@@H+]1CCCCC1C(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028852065	0	58	0.0	-69.95	410.13	4.53	-65.42
C[N@H+]1CCCCC1C(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028852065	1	58	0.0	-68.19	419.30	5.00	-63.19
C[N@@H+]1CCC(=CC(=O)N2CCC3(CCC3)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028852096	0	56	0.0	-76.26	417.64	5.07	-71.19
C[N@H+]1CCC(=CC(=O)N2CCC3(CCC3)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028852096	1	56	0.0	-76.12	417.40	5.10	-71.02
O=C(CNC1=CC=[NH+]C=C1)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028852097	0	54	0.0	-73.62	414.52	2.68	-70.94
CCC1C[NH+](CC(=O)N2CCC3(CCC3)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028852126	0	58	0.0	-73.89	433.24	5.33	-68.56
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028852131	0	55	0.0	-68.32	400.73	4.18	-64.14
C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028852131	1	55	0.0	-71.57	399.19	4.01	-67.56
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3(CCC3)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028852181	0	58	0.0	-73.82	427.99	5.16	-68.66
C[NH+](C)CCOCC(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028852201	0	58	0.0	-71.81	434.68	4.54	-67.27
O=C(C[NH+]1CCCCC1)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028852245	0	58	0.0	-72.57	422.30	5.35	-67.22
C[N@@H+]1CCCC(C(=O)N2CCC3(CCC3)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028852246	0	58	0.0	-73.87	419.94	4.79	-69.08
C[N@H+]1CCCC(C(=O)N2CCC3(CCC3)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028852246	1	58	0.0	-70.34	414.90	5.09	-65.25
CN1C=C[N+](CC(=O)N2CCC3(CCC3)C(CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300028852247	0	53	0.0	-69.49	410.02	6.92	-62.57
C[N@H+](CC(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028852258	0	55	0.0	-68.92	408.06	4.81	-64.11
C[N@@H+](CC(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028852258	1	55	0.0	-69.82	408.23	4.82	-65.00
CC(CC(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300028852269	0	60	0.0	-74.81	435.96	5.48	-69.33
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028852302	1	54	0.0	-74.98	411.58	2.74	-72.24
C[NH+]1CC(CC(=O)N2CCC3(CCC3)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028852329	0	55	0.0	-73.97	409.90	4.19	-69.78
C[NH+](C)CC(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028852336	0	51	0.0	-72.69	378.79	3.41	-69.28
C[N@H+](CCO)CCC(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028852346	0	58	0.0	-74.42	431.14	1.53	-72.89
C[N@@H+](CCO)CCC(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028852346	1	58	0.0	-73.89	431.08	1.52	-72.37
C[C@@H](C(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028852347	0	54	0.0	-70.38	396.58	3.85	-66.53
CC(C(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300028852361	0	58	0.0	-70.18	428.38	4.96	-65.22
CC1CC[N@@H+]1CC(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028852362	1	55	0.0	-71.24	411.96	4.60	-66.64
CC1CC[N@H+]1CC(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028852362	1	55	0.0	-70.18	406.47	4.29	-65.89
C[NH+](C)CC=CC(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028852365	0	55	0.0	-77.87	416.81	4.75	-73.12
CC1(C)C[NH+](CC(=O)N2CCC3(CCC3)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028852369	1	58	0.0	-72.99	430.91	5.03	-67.96
CC[NH+](CC)CC(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028852387	0	57	0.0	-70.51	410.23	4.47	-66.04
O=C(C[NH+]1CCC1)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028852393	1	52	0.0	-72.89	390.84	3.92	-68.97
CC[NH+](CC)CCC(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028852414	0	60	0.0	-74.26	432.67	5.11	-69.15
CC(C(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300028852449	1	55	0.0	-69.88	397.38	3.96	-65.92
C[NH+](C)CC(C)(C)C(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028852454	0	60	0.0	-74.27	420.15	4.82	-69.45
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028852475	0	58	0.0	-69.88	408.47	4.51	-65.37
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028852475	1	58	0.0	-68.12	419.96	4.99	-63.13
C[NH+](C)CC(O)CC(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028852486	0	58	0.0	-78.53	431.41	2.47	-76.06
C=CCC(C(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028852500	0	58	0.0	-71.46	423.28	4.98	-66.48
C[N@@H+]1CCCC1C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028852705	0	50	0.0	-70.64	377.66	1.34	-69.30
C[N@H+]1CCCC1C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028852705	1	50	0.0	-68.16	382.92	1.47	-66.69
C[N@@H+]1CCOC(C(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028852729	1	51	0.0	-82.18	394.18	1.05	-81.13
C[N@H+]1CCOC(C(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028852729	1	51	0.0	-85.75	382.71	0.79	-84.96
CC(C)[N@@H+]1CCCC1C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028852879	0	56	0.0	-73.80	405.34	2.74	-71.06
CC(C)[N@H+]1CCCC1C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028852879	1	56	0.0	-59.57	411.00	3.23	-56.34
CC1=[NH+]C=CN1CC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028852909	1	48	0.0	-70.64	382.06	2.04	-68.60
O=C(NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCC1CC2	REAL300028852931	0	54	0.0	-87.00	393.49	2.34	-84.66
C[C@@H]1[C@H](C(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028852964	0	53	0.0	-80.93	388.05	1.42	-79.51
C[C@@H]1[C@H](C(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028852964	1	53	0.0	-80.31	394.58	1.68	-78.63
CC[C@@H]1[C@@H](C(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028852966	0	56	0.0	-72.88	409.82	2.13	-70.75
CC[C@@H]1[C@@H](C(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028852966	1	56	0.0	-75.25	413.19	2.54	-72.71
CC[N@@H+]1CCOC(C(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028852972	1	54	0.0	-63.16	400.96	1.46	-61.70
CC[N@H+]1CCOC(C(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028852972	1	54	0.0	-78.31	412.25	1.73	-76.58
CC[NH+](CC)CC(F)C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028852998	0	55	0.0	-78.46	414.27	2.31	-76.15
CC1CCC(C)[NH+]1CC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028853031	0	56	0.0	-69.43	410.09	2.38	-67.05
O=C(CCC[NH+]1CCCC1)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028853034	0	56	0.0	-74.23	422.93	3.02	-71.21
O=C(CC[NH+]1CCCCC1)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028853037	0	56	0.0	-72.82	416.65	2.89	-69.93
CC[N@@H+]1CCCCC1C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028853040	0	56	0.0	-66.22	416.15	2.85	-63.37
CC[N@H+]1CCCCC1C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028853040	1	56	0.0	-63.21	409.70	3.53	-59.68
C[NH+](C)C1(C(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300028853050	0	53	0.0	-77.24	384.99	2.56	-74.68
CC(C)[C@@H](C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028853056	0	55	0.0	-67.96	404.32	2.55	-65.41
C[N@H+](CC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300028853080	0	53	0.0	-70.00	399.08	2.40	-67.60
C[N@@H+](CC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300028853080	1	53	0.0	-68.86	398.63	2.40	-66.46
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028853145	1	52	0.0	-66.20	399.02	2.20	-64.00
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028853145	1	52	0.0	-64.38	409.73	2.78	-61.60
C[N@@H+]1CCCC1CCC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028853150	0	56	0.0	-78.51	421.91	3.13	-75.38
C[N@H+]1CCCC1CCC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028853150	1	56	0.0	-70.07	418.61	2.67	-67.40
C[NH+]1CCC(C(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028853166	0	53	0.0	-83.23	396.97	2.12	-81.11
C[N@@H+]1CCCCC1C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028853200	0	53	0.0	-67.72	384.77	1.85	-65.87
C[N@H+]1CCCCC1C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028853200	1	53	0.0	-69.06	389.57	2.06	-67.00
O=C(NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)C1=CN2C=[NH+]C=C2C=C1	REAL300028853261	0	48	0.0	-75.32	383.36	3.98	-71.34
O=C(CC[NH+]1CCOCC1)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028853267	1	54	0.0	-75.27	407.66	0.43	-74.84
CC1=C[NH+]=CN1CC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028853280	1	48	0.0	-69.22	382.37	2.77	-66.45
O=C(NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+]1CCC2	REAL300028853299	0	54	0.0	-71.37	400.34	2.52	-68.85
C[N@@H+]1CCC(CC(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028853308	0	53	0.0	-81.52	398.68	2.00	-79.52
C[N@H+]1CCC(CC(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028853308	1	53	0.0	-79.77	398.97	2.07	-77.70
CCC(C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028853315	0	52	0.0	-73.54	384.98	1.59	-71.95
O=C(NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)C1=CC2=C[NH+]=CN2C=C1	REAL300028853342	1	48	0.0	-83.47	383.68	4.00	-79.47
C[NH+](C)CCCCC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028853370	0	55	0.0	-78.50	417.75	2.57	-75.93
CC(C)C(C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028853382	0	55	0.0	-74.97	401.96	2.59	-72.38
CCC[N@H+](C)CCC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028853383	0	55	0.0	-74.07	414.70	2.44	-71.63
CCC[N@@H+](C)CCC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028853383	1	55	0.0	-76.07	414.18	2.38	-73.69
CCC[N@H+](C)CC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028853386	0	52	0.0	-71.68	392.09	1.83	-69.85
CCC[N@@H+](C)CC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028853386	1	52	0.0	-71.33	391.74	1.83	-69.50
O=C(NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)C12CC[N@H+](C1)CCC2	REAL300028853400	0	54	0.0	-65.88	393.86	2.51	-63.37
O=C(NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)C12CC[N@@H+](C1)CCC2	REAL300028853400	1	54	0.0	-79.56	394.48	1.66	-77.90
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028853426	0	50	0.0	-72.06	375.70	1.15	-70.91
C[N@H+]1CCC[C@@H]1C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028853426	1	50	0.0	-63.72	383.83	1.60	-62.12
CC[NH+](CC)CC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028853459	0	52	0.0	-68.38	384.78	1.56	-66.82
CC1CC[NH+](CC(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028853519	0	56	0.0	-71.98	415.27	2.96	-69.02
C[NH+](C)CC1(C(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028853539	0	53	0.0	-80.45	403.71	2.30	-78.15
C[NH+]1CCC(C(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028853591	0	53	0.0	-83.23	396.97	2.12	-81.11
CC(C)[C@H](C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028853607	0	55	0.0	-62.34	406.62	2.52	-59.82
CCC(C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300028853635	0	58	0.0	-62.96	416.33	3.12	-59.84
CC[N@H+](C)CCC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028853668	0	52	0.0	-75.23	392.68	1.63	-73.60
CC[N@@H+](C)CCC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028853668	1	52	0.0	-73.76	393.20	1.71	-72.05
CC1CCC[N@@H+]1CC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028853694	0	53	0.0	-66.09	391.14	1.80	-64.29
CC1CCC[N@H+]1CC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028853694	1	53	0.0	-63.62	395.11	1.96	-61.66
CC1CC[N@H+](CC(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028853695	0	53	0.0	-64.95	403.72	2.32	-62.63
CC1CC[N@@H+](CC(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028853695	1	53	0.0	-61.60	396.50	2.83	-58.77
CC1(C)CC[N@H+](CC(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028853699	0	56	0.0	-69.99	417.71	2.70	-67.29
CC1(C)CC[N@@H+](CC(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028853699	1	56	0.0	-65.55	422.30	2.90	-62.65
C[N@H+](CC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300028853700	0	58	0.0	-71.63	420.31	2.84	-68.79
C[N@@H+](CC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300028853700	1	58	0.0	-70.30	422.49	3.00	-67.30
CC[C@@H](C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028853708	0	52	0.0	-69.40	390.76	2.20	-67.20
C[NH+](C)CC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028853804	0	46	0.0	-70.35	352.66	0.43	-69.92
O=C(C[NH+]1CCCCCC1)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028853807	0	56	0.0	-71.79	403.58	2.49	-69.30
CN1C=C[N+](CC(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300028853810	0	48	0.0	-71.97	383.83	3.93	-68.04
C[N@@H+]1CCCC(C(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028853814	0	53	0.0	-76.98	397.51	2.00	-74.98
C[N@H+]1CCCC(C(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028853814	1	53	0.0	-64.64	395.01	2.44	-62.20
O=C(NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@@H+]1C1CC1	REAL300028853819	0	54	0.0	-68.17	409.31	2.94	-65.23
O=C(NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@H+]1C1CC1	REAL300028853819	1	54	0.0	-78.74	397.95	3.14	-75.60
CC(C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300028853834	1	50	0.0	-67.25	379.50	1.11	-66.14
CCC(CC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300028853838	0	58	0.0	-79.29	423.95	2.98	-76.31
C[NH+](C)CC(C)(C)C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028853843	0	55	0.0	-73.80	400.18	2.08	-71.72
O=C(C[NH+]1CCC(O)CC1)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028853856	1	54	0.0	-75.13	405.70	-1.02	-76.15
C[N@H+](CC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028853857	0	50	0.0	-67.45	381.93	1.83	-65.62
C[N@@H+](CC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028853857	1	50	0.0	-67.16	382.80	1.89	-65.27
C[NH+]1CC(CC(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028853872	0	50	0.0	-71.30	383.93	1.25	-70.05
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028853883	0	56	0.0	-71.59	391.64	2.65	-68.94
CC(C)(C)[N@H+]1CCC1C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028853883	1	56	0.0	-68.17	398.22	1.52	-66.65
C[C@@H](C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028853894	0	49	0.0	-68.96	371.41	0.91	-68.05
[NH2+]=C1SC=CN1CC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028853951	0	46	0.0	-59.61	383.67	0.62	-58.99
C[N@H+](CCO)CCC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028853957	0	53	0.0	-76.25	403.03	-1.58	-77.83
C[N@@H+](CCO)CCC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028853957	1	53	0.0	-72.85	403.32	-1.50	-74.35
C[C@@H](C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028853958	0	49	0.0	-68.96	371.41	0.91	-68.05
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028853962	0	53	0.0	-68.13	389.24	1.97	-66.16
C[N@H+]1CCCC[C@@H]1C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028853962	1	53	0.0	-67.77	398.17	2.17	-65.60
O=C(C[NH+]1CCC1)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854012	1	47	0.0	-66.84	366.80	0.86	-65.98
C[N@@H+]1CCC(=CC(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028854029	0	51	0.0	-68.41	390.97	3.21	-65.20
C[N@H+]1CCC(=CC(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028854029	1	51	0.0	-68.04	387.07	2.80	-65.24
C[NH+](C)CCOCC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854050	0	53	0.0	-76.46	408.27	1.49	-74.97
C=CCC(C)(C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028854063	0	56	0.0	-80.93	405.66	3.28	-77.65
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854084	0	54	0.0	-72.02	400.55	-1.16	-73.18
CC1CN(CC(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028854102	0	50	0.0	-68.00	386.62	1.58	-66.42
CC1C[NH+](CC(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028854102	1	50	0.0	-68.00	386.62	1.58	-66.42
CN(CCO)CC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854120	0	50	0.0	-71.38	380.60	-2.13	-73.51
C[N@H+](CCO)CC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854120	1	50	0.0	-73.55	380.99	-2.16	-75.71
C[N@@H+](CCO)CC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854120	1	50	0.0	-73.55	380.99	-2.16	-75.71
CC[N@@H+]1CCCC(C(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028854140	0	56	0.0	-62.47	408.74	2.92	-59.55
CC[N@H+]1CCCC(C(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028854140	1	56	0.0	-62.47	408.74	2.92	-59.55
CC(CC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300028854142	0	55	0.0	-75.53	409.84	2.42	-73.11
CC[N@H+](C)CC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854147	0	49	0.0	-71.29	370.24	1.10	-70.19
CC[N@H+](CC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028854179	0	53	0.0	-67.67	398.45	2.44	-65.23
CC[NH+](CC)CCC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854189	0	55	0.0	-73.99	406.68	2.12	-71.87
CC1(O)CC[N@H+](CC(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028854224	0	54	0.0	-66.80	411.94	-1.01	-67.81
C[NH+](C)CC=CC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854227	0	50	0.0	-76.60	390.36	1.74	-74.86
CC(OCC[NH+](C)C)C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854236	0	56	0.0	-75.59	427.41	2.19	-73.40
C[NH+](C)CCOCCC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854242	0	56	0.0	-73.97	429.70	1.28	-72.69
COCCN(C)CC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854243	0	53	0.0	-73.85	403.25	0.25	-73.60
COCC[N@H+](C)CC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854243	1	53	0.0	-71.47	402.85	0.26	-71.21
COCC[N@@H+](C)CC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854243	1	53	0.0	-71.47	402.85	0.26	-71.21
C[NH+](C)C1(C(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300028854263	0	56	0.0	-70.39	403.89	3.10	-67.29
CC(CCC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028854265	0	55	0.0	-74.77	409.55	2.22	-72.55
CCN1CCC1C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854271	0	50	0.0	-60.89	376.23	2.06	-58.83
CC[N@@H+]1CCC1C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854271	1	50	0.0	-62.67	382.23	2.31	-60.36
CC[N@H+]1CCC1C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854271	1	50	0.0	-62.67	382.23	2.31	-60.36
O=C(C[N@H+]1CCCC1CO)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854283	0	54	0.0	-65.31	401.78	-0.90	-66.21
C[NH+]1CCC(C)(C(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028854304	0	56	0.0	-63.07	414.61	2.67	-60.40
C=CCC(C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028854322	0	53	0.0	-74.40	398.97	2.11	-72.29
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854329	0	56	0.0	-60.45	416.82	2.19	-58.26
C[NH+](C)CCCCCC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854331	0	58	0.0	-78.83	439.25	3.34	-75.49
CCCC(C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028854351	0	55	0.0	-65.48	407.29	2.40	-63.08
C[NH+](C)C(C)(C)C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854354	0	52	0.0	-71.93	380.77	1.30	-70.63
C[N@@H+]1CCCCC1C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854379	0	53	0.0	-69.06	389.57	2.06	-67.00
C[N@H+]1CC=C(CC(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028854402	0	54	0.0	-70.61	411.28	2.73	-67.88
C[N@@H+]1CC=C(CC(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028854402	1	54	0.0	-70.61	411.28	2.73	-67.88
O=C(C=CC[NH+]1CCCC1)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854436	0	54	0.0	-63.89	410.93	3.70	-60.19
O=C(CC[NH+]1CCCC1)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854468	0	53	0.0	-74.59	400.92	2.16	-72.43
O=C(NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCN1CC2	REAL300028854491	0	53	0.0	-88.25	388.54	-1.09	-89.34
C[N@@H+]1CC2CC1(C(=O)NCC1CC3COCC3N1C(=O)C1=CC(=O)[N-]O1)C2	REAL300028854495	0	51	0.0	-71.32	384.21	1.85	-69.47
O=C(C[N@@H+]1CC2CCC1C2)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854502	0	54	0.0	-69.70	399.02	2.54	-67.16
O=C(C[N@H+]1CC2CCC1C2)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854502	1	54	0.0	-69.70	399.02	2.54	-67.16
O=C(CN1CC2C=CC1C2)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854540	0	52	0.0	-62.46	394.79	2.41	-60.05
O=C(C[N@@H+]1CC2C=CC1C2)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854540	1	52	0.0	-70.14	391.55	2.41	-67.73
O=C(C[N@H+]1CC2C=CC1C2)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854540	1	52	0.0	-70.14	391.55	2.41	-67.73
CC(C[NH+](C)C)C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854572	0	52	0.0	-71.00	391.60	1.74	-69.26
C[N@@H+]1CCCCC1CC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854616	0	56	0.0	-77.77	412.02	2.68	-75.09
C[N@H+]1CCCCC1CC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854616	1	56	0.0	-77.77	412.02	2.68	-75.09
CC(C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)N1CC(C)C1	REAL300028854626	0	53	0.0	-71.10	404.08	2.07	-69.03
CC(C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300028854626	1	53	0.0	-71.10	404.08	2.07	-69.03
CC1CCN1CC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854628	0	50	0.0	-66.44	381.30	1.37	-65.07
CC1CC[N@@H+]1CC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854628	1	50	0.0	-67.70	387.99	1.67	-66.03
CC1CC[N@H+]1CC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854628	1	50	0.0	-67.70	387.99	1.67	-66.03
C[NH+](C)CC(O)CC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854631	0	53	0.0	-79.14	405.10	-0.71	-79.85
CC1CN(C)CC(C(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)O1	REAL300028854651	0	54	0.0	-62.78	408.59	1.68	-61.10
CC1C[N@H+](C)CC(C(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)O1	REAL300028854651	1	54	0.0	-61.81	404.11	1.54	-60.27
CC1C[N@@H+](C)CC(C(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)O1	REAL300028854651	1	54	0.0	-61.81	404.11	1.54	-60.27
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028854693	0	53	0.0	-68.49	405.88	2.38	-66.11
CC(CC[NH+](C)C)C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854698	0	55	0.0	-77.11	413.77	2.28	-74.83
CN1CCN(CC(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028854715	0	55	0.0	-72.23	412.54	0.01	-72.22
C[NH+]1CCN(CC(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028854715	1	55	0.0	-72.23	412.54	0.01	-72.22
NC(=[NH2+])SCC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854737	0	44	0.0	-74.71	360.33	-2.62	-77.33
C[NH+](C)CCC1(C(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028854765	0	56	0.0	-68.18	430.96	3.21	-64.97
C[N@@H+]1CC=CCC1CC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854766	0	54	0.0	-59.94	399.49	2.39	-57.55
C[N@H+]1CC=CCC1CC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854766	1	54	0.0	-59.94	399.49	2.39	-57.55
C[C@@H](OCC[NH+](C)C)C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854778	0	56	0.0	-77.23	428.99	2.20	-75.03
CCC1C[NH+](CC(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028854856	1	53	0.0	-71.30	405.59	2.32	-68.98
C[N@@H+]1CCC[C@H]1C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854861	0	50	0.0	-71.24	379.03	1.46	-69.78
C[N@H+]1CCC[C@H]1C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854861	1	50	0.0	-72.05	375.82	1.10	-70.95
O=C(CC[N@H+]1CCC(F)C1)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854867	0	53	0.0	-80.46	406.80	2.27	-78.19
O=C(CC[N@@H+]1CCC(F)C1)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854867	1	53	0.0	-74.64	410.16	2.31	-72.33
O=C(C[NH+]1CCCCC1)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854880	0	53	0.0	-66.87	398.58	2.31	-64.56
CC1C(C(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028854886	0	53	0.0	-74.83	398.29	2.10	-72.73
CC1C(C(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028854886	1	53	0.0	-82.52	389.79	1.49	-81.03
C[N@@H+]1CCOCC1CC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854915	1	54	0.0	-72.86	395.63	0.06	-72.80
C[N@H+]1CCOCC1CC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854915	1	54	0.0	-58.82	399.36	0.23	-58.59
C[N@@H+]1CCCC1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028855085	0	50	0.0	-53.03	371.60	2.22	-50.81
C[N@H+]1CCCC1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028855085	1	50	0.0	-62.24	376.00	2.20	-60.04
O=C(CC[NH+]1CCOCC1)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028855262	1	54	0.0	-68.14	407.40	1.32	-66.82
O=C(NCC1CC2COCC2N1C(=O)C12CCC[NH+]1CCC2)C1=CC(=O)[N-]O1	REAL300028855272	0	54	0.0	-66.27	387.37	2.51	-63.76
O=C(NCC1CC2COCC2N1C(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC(=O)[N-]O1	REAL300028855278	1	48	0.0	-78.73	376.99	4.47	-74.26
C[N@@H+]1CCC(CC(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)C1	REAL300028855304	0	53	0.0	-77.52	408.52	2.46	-75.06
C[N@H+]1CCC(CC(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)C1	REAL300028855304	1	53	0.0	-70.23	398.79	2.90	-67.33
CCC(C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21)[NH+](C)C	REAL300028855311	0	52	0.0	-59.15	376.84	2.03	-57.12
C[NH+](C)CCCCC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028855346	0	55	0.0	-68.44	417.52	3.44	-65.00
CC(C)C(C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21)[NH+](C)C	REAL300028855360	0	55	0.0	-66.36	396.94	2.72	-63.64
CCC[N@H+](C)CCC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028855361	0	55	0.0	-68.22	414.97	3.23	-64.99
CCC[N@@H+](C)CCC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028855361	1	55	0.0	-68.78	412.65	3.42	-65.36
CCC[N@H+](C)CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028855364	0	52	0.0	-64.13	392.70	2.63	-61.50
CCC[N@@H+](C)CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028855364	1	52	0.0	-64.44	393.05	2.65	-61.79
O=C(NCC1CC2COCC2N1C(=O)C12CC[N@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300028855378	0	54	0.0	-74.83	383.78	2.30	-72.53
O=C(NCC1CC2COCC2N1C(=O)C12CC[N@@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300028855378	1	54	0.0	-66.25	384.75	1.86	-64.39
CC1CC[NH+](CC(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)CC1	REAL300028855411	0	56	0.0	-63.98	415.22	3.69	-60.29
C[NH+](C)CC1(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)CC1	REAL300028855450	0	53	0.0	-62.54	391.29	2.74	-59.80
CC[N@H+](C)CCC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028855469	0	52	0.0	-67.52	393.49	2.49	-65.03
CC[N@@H+](C)CCC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028855469	1	52	0.0	-67.85	391.15	2.66	-65.19
O=C(NCC1CC2COCC2N1C(=O)C1C[NH+]2CCC1CC2)C1=CC(=O)[N-]O1	REAL300028855482	0	54	0.0	-73.05	387.28	3.20	-69.85
C[NH+]1CCC(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)CC1	REAL300028855529	0	53	0.0	-72.57	391.54	2.42	-70.15
CC(C)[C@H](C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21)[NH+](C)C	REAL300028855545	0	55	0.0	-65.63	402.78	3.56	-62.07
CC[NH+](CC)CC(F)C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028855598	0	55	0.0	-60.64	417.24	2.48	-58.16
C[NH+](C)C1(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)CCC1	REAL300028855616	0	53	0.0	-68.17	370.80	2.56	-65.61
CCC(C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21)[NH+](CC)CC	REAL300028855644	0	58	0.0	-61.47	411.01	3.34	-58.13
CC1CCC[N@@H+]1CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028855654	0	53	0.0	-65.52	394.70	3.13	-62.39
CC1CCC[N@H+]1CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028855654	1	53	0.0	-65.64	402.68	3.48	-62.16
CC(C)[N@@H+]1CCCC1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028855692	0	56	0.0	-65.68	399.84	3.29	-62.39
CC(C)[N@H+]1CCCC1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028855692	1	56	0.0	-57.02	398.66	2.31	-54.71
CC(C)[C@@H](C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21)[NH+](C)C	REAL300028855699	0	55	0.0	-64.70	393.70	2.57	-62.13
CC1CC[N@H+](CC(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)C1	REAL300028855712	0	53	0.0	-62.73	398.59	2.99	-59.74
CC1CC[N@@H+](CC(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)C1	REAL300028855712	1	53	0.0	-65.46	404.82	2.41	-63.05
CC1(C)CC[N@H+](CC(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)C1	REAL300028855716	0	56	0.0	-63.81	418.50	3.51	-60.30
CC1(C)CC[N@@H+](CC(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)C1	REAL300028855716	1	56	0.0	-63.78	419.05	3.39	-60.39
C[N@H+](CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21)CC(C)(C)C	REAL300028855717	0	58	0.0	-63.17	420.55	3.61	-59.56
C[N@@H+](CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21)CC(C)(C)C	REAL300028855717	1	58	0.0	-64.47	424.26	3.80	-60.67
CC[C@@H](C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21)[NH+](C)C	REAL300028855725	0	52	0.0	-72.44	388.14	1.62	-70.82
CC1=[NH+]C=CN1CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028855830	1	48	0.0	-60.80	382.86	2.85	-57.95
CC[N@@H+]1CCOC(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)C1	REAL300028855885	1	54	0.0	-79.20	389.48	0.79	-78.41
CC[N@H+]1CCOC(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)C1	REAL300028855885	1	54	0.0	-77.21	400.73	2.03	-75.18
O=C(NCC1CC2COCC2N1C(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC(=O)[N-]O1	REAL300028855914	0	48	0.0	-71.91	376.65	4.46	-67.45
CC1=C[NH+]=CN1CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028855917	1	48	0.0	-66.89	383.23	3.60	-63.29
C[C@@H]1[C@H](C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)CC[N@@H+]1C	REAL300028855923	0	53	0.0	-65.56	384.84	2.05	-63.51
C[C@@H]1[C@H](C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)CC[N@H+]1C	REAL300028855923	1	53	0.0	-63.70	396.55	2.89	-60.81
CC[C@@H]1[C@@H](C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)CC[N@@H+]1C	REAL300028855925	0	56	0.0	-77.00	416.29	2.46	-74.54
CC[C@@H]1[C@@H](C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)CC[N@H+]1C	REAL300028855925	1	56	0.0	-69.04	413.29	3.53	-65.51
CC1CCC(C)[NH+]1CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028855932	0	56	0.0	-62.24	398.25	3.26	-58.98
O=C(CCC[NH+]1CCCC1)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028855935	0	56	0.0	-66.41	421.57	3.83	-62.58
O=C(CC[NH+]1CCCCC1)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028855939	0	56	0.0	-66.57	415.12	3.86	-62.71
CC[N@@H+]1CCCCC1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028855942	0	56	0.0	-62.64	411.09	3.95	-58.69
CC[N@H+]1CCCCC1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028855942	1	56	0.0	-69.83	415.56	2.94	-66.89
C[N@H+](CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21)C1CCC1	REAL300028856033	0	53	0.0	-60.87	399.70	3.21	-57.66
C[N@@H+](CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21)C1CCC1	REAL300028856033	1	53	0.0	-62.81	405.64	2.72	-60.09
C[NH+]1CCC(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)CC1	REAL300028856061	0	53	0.0	-72.57	391.54	2.42	-70.15
C[N@@H+]1CCC[C@@H]1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856089	0	50	0.0	-65.07	375.12	2.27	-62.80
C[N@H+]1CCC[C@@H]1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856089	1	50	0.0	-62.85	378.60	1.50	-61.35
C#CC[N@H+]1CCC[C@H]1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856106	1	52	0.0	-56.66	400.19	2.35	-54.31
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856106	1	52	0.0	-60.23	398.22	3.26	-56.97
C[N@@H+]1CCCC1CCC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856111	0	56	0.0	-67.35	413.89	3.28	-64.07
C[N@H+]1CCCC1CCC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856111	1	56	0.0	-65.75	411.59	3.49	-62.26
C[N@@H+]1CCCCC1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856180	0	53	0.0	-64.39	391.16	3.18	-61.21
C[N@H+]1CCCCC1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856180	1	53	0.0	-57.65	389.99	2.75	-54.90
CC1C(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)CC[N@@H+]1C	REAL300028856235	0	53	0.0	-62.06	393.33	1.71	-60.35
CC1C(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)CC[N@H+]1C	REAL300028856235	1	53	0.0	-65.99	395.71	2.69	-63.30
CC(C)(C)[N@@H+]1CCC1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856289	0	56	0.0	-66.79	381.62	2.73	-64.06
CC(C)(C)[N@H+]1CCC1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856289	1	56	0.0	-59.90	416.29	2.24	-57.66
C[C@@H](C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21)[NH+](C)C	REAL300028856303	0	49	0.0	-73.65	375.64	1.07	-72.58
C=CCC(C)(C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21)[NH+](C)C	REAL300028856317	0	56	0.0	-66.27	397.13	1.86	-64.41
O=C(CC[NH+]1CCCC1)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856332	0	53	0.0	-66.24	407.29	2.57	-63.67
C[N@H+](CCO)CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856341	1	50	0.0	-66.70	382.02	-1.34	-68.04
C[N@@H+](CCO)CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856341	1	50	0.0	-63.48	381.48	-1.38	-64.86
C[N@H+]1CC=C(CC(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)CC1	REAL300028856394	0	54	0.0	-66.89	412.22	3.54	-63.35
C[N@@H+]1CC=C(CC(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)CC1	REAL300028856394	1	54	0.0	-67.94	418.86	3.17	-64.77
C[N@@H+]1CC(O)CC1(C)C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856415	0	54	0.0	-65.66	392.97	-0.86	-66.52
C[N@H+]1CC(O)CC1(C)C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856415	1	54	0.0	-58.93	388.89	-1.26	-60.19
CC1C[NH+](CC(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)C1	REAL300028856443	1	50	0.0	-63.93	383.89	2.19	-61.74
CC[N@@H+]1CCCC(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)C1	REAL300028856449	0	56	0.0	-81.04	408.79	2.89	-78.15
CC[N@H+]1CCCC(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)C1	REAL300028856449	1	56	0.0	-68.05	413.79	3.74	-64.31
NC1=[NH+]C=CC=C1CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856453	0	49	0.0	-60.11	387.80	1.10	-59.01
O=C(NCC1CC2COCC2N1C(=O)C1CCC[N@@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300028856460	0	54	0.0	-64.34	412.30	4.11	-60.23
O=C(NCC1CC2COCC2N1C(=O)C1CCC[N@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300028856460	1	54	0.0	-60.75	410.32	3.86	-56.89
O=C(C=CC[NH+]1CCCC1)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856486	0	54	0.0	-66.45	418.30	3.08	-63.37
CC[N@H+](C)CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856529	0	49	0.0	-64.18	371.69	1.87	-62.31
O=C(CN1CC2C=CC1C2)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856562	0	52	0.0	-62.87	399.31	2.69	-60.18
O=C(C[N@@H+]1CC2C=CC1C2)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856562	1	52	0.0	-61.21	396.81	3.64	-57.57
O=C(C[N@H+]1CC2C=CC1C2)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856562	1	52	0.0	-61.21	396.81	3.64	-57.57
CC(OCC[NH+](C)C)C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856642	0	56	0.0	-66.46	422.89	2.74	-63.72
C[NH+](C)CCOCCC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856649	0	56	0.0	-66.94	430.04	2.05	-64.89
COCCN(C)CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856651	0	53	0.0	-62.82	403.73	1.03	-61.79
COCC[N@H+](C)CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856651	1	53	0.0	-66.79	404.28	1.06	-65.73
COCC[N@@H+](C)CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856651	1	53	0.0	-66.79	404.28	1.06	-65.73
CC(CCC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21)[NH+](C)C	REAL300028856654	0	55	0.0	-66.60	408.68	3.03	-63.57
CC[N@H+](CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21)C1CC1	REAL300028856669	0	53	0.0	-61.34	398.14	3.28	-58.06
C[N@@H+]1CC2CC1(C(=O)N1C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC31)C2	REAL300028856695	0	51	0.0	-66.90	378.76	2.70	-64.20
O=C(C[N@@H+]1CC2CCC1C2)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856704	0	54	0.0	-62.47	400.88	3.60	-58.87
O=C(C[N@H+]1CC2CCC1C2)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856704	1	54	0.0	-62.47	400.88	3.60	-58.87
CC(C[NH+](C)C)C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856718	0	52	0.0	-62.34	389.28	2.15	-60.19
CCN1CCC1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856753	0	50	0.0	-64.86	378.24	1.24	-63.62
CC[N@@H+]1CCC1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856753	1	50	0.0	-64.39	379.89	2.05	-62.34
CC[N@H+]1CCC1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856753	1	50	0.0	-64.39	379.89	2.05	-62.34
CCC(C)(C)[NH2+]C(C)C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856762	0	58	0.0	-61.39	414.02	1.43	-59.96
CCCC(C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21)[NH+](C)C	REAL300028856796	0	55	0.0	-58.46	404.39	2.94	-55.52
C[NH+](C)C(C)(C)C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856800	0	52	0.0	-68.25	366.89	0.59	-67.66
CC(CC[NH+](C)C)C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856813	0	55	0.0	-58.18	410.50	2.77	-55.41
C[N@@H+]1CC(C)(C)CC1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856867	0	56	0.0	-67.37	405.10	2.75	-64.62
C[N@H+]1CC(C)(C)CC1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856867	1	56	0.0	-64.29	421.77	3.85	-60.44
C[NH+](C)CCCCCC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856869	0	58	0.0	-68.95	438.65	4.23	-64.72
C[NH+]1CCN(CC(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)CC1	REAL300028856876	1	55	0.0	-69.26	413.37	0.79	-68.47
CC1C[N@H+](C)CC(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)O1	REAL300028856926	1	54	0.0	-86.71	403.02	2.04	-84.67
CC1C[N@@H+](C)CC(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)O1	REAL300028856926	1	54	0.0	-60.49	400.63	2.18	-58.31
O=C(C[NH+]1CC2CC2C1)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856955	0	51	0.0	-63.68	389.49	3.10	-60.58
C[N@@H+]1CCCCC1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856979	0	53	0.0	-64.39	391.16	3.18	-61.21
C[N@H+]1CCCCC1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856979	1	53	0.0	-57.65	389.99	2.75	-54.90
C[N@@H+]1CCC(=CC(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)C1	REAL300028857046	0	51	0.0	-67.20	398.78	2.13	-65.07
C[N@H+]1CCC(=CC(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)C1	REAL300028857046	1	51	0.0	-69.89	397.34	2.33	-67.56
O=C(CNC1=CC=[NH+]C=C1)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028857049	0	49	0.0	-68.00	388.57	0.47	-67.53
C[NH+](C)C1(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)CCCC1	REAL300028857103	0	56	0.0	-73.59	386.93	1.84	-71.75
CCC1C[NH+](CC(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)C1	REAL300028857112	1	53	0.0	-64.40	404.99	2.93	-61.47
C[N@@H+]1CCC[C@H]1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028857122	0	50	0.0	-53.31	371.12	2.22	-51.09
C[N@H+]1CCC[C@H]1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028857122	1	50	0.0	-60.69	378.73	1.29	-59.40
C[NH+](C)[C@H]1C[C@H](C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)C1	REAL300028857212	0	53	0.0	-67.81	397.83	2.93	-64.88
C[NH+](C)CCC1(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)CC1	REAL300028857221	0	56	0.0	-66.78	415.80	3.54	-63.24
C[N@@H+]1CC=CCC1CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028857222	0	54	0.0	-71.02	403.08	3.36	-67.66
C[N@H+]1CC=CCC1CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028857222	1	54	0.0	-66.17	403.07	3.34	-62.83
C[NH+](C)CCOCC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028857255	0	53	0.0	-68.41	407.99	2.32	-66.09
[NH2+]=C1SC=CN1CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028857281	0	46	0.0	-61.49	380.75	1.36	-60.13
C[C@@H](OCC[NH+](C)C)C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028857317	0	56	0.0	-67.11	429.70	2.37	-64.74
C[N@@H+]1CCCC(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)C1	REAL300028857345	0	53	0.0	-55.27	383.50	2.79	-52.48
C[N@H+]1CCCC(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)C1	REAL300028857345	1	53	0.0	-55.27	383.50	2.79	-52.48
O=C(C[NH+]1CCCCCC1)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028857346	0	56	0.0	-62.22	404.83	3.27	-58.95
CN1C=C[N+](CC(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)=C1	REAL300028857349	0	48	0.0	-63.71	384.39	4.68	-59.03
O=C(CN1CCC(O)CC1)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028857369	0	54	0.0	-68.43	406.37	-0.27	-68.70
O=C(C[NH+]1CCC(O)CC1)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028857369	1	54	0.0	-68.43	406.37	-0.27	-68.70
C[N@H+](CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21)C1CC1	REAL300028857370	0	50	0.0	-62.61	383.81	2.63	-59.98
O=C(CC[N@H+]1CCC(F)C1)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028857373	0	53	0.0	-73.52	414.92	3.27	-70.25
CC(CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21)C[NH+](C)C	REAL300028857393	0	55	0.0	-65.34	409.12	3.25	-62.09
CN1CCOCC1CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028857412	0	54	0.0	-68.77	403.27	0.46	-68.31
C[N@@H+]1CCOCC1CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028857412	1	54	0.0	-65.29	395.81	0.96	-64.33
C[N@H+]1CCOCC1CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028857412	1	54	0.0	-65.29	395.81	0.96	-64.33
CC1=CC(N)=NC=C1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028857451	0	49	0.0	-73.57	385.08	1.14	-72.43
CC1=CC(N)=[NH+]C=C1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028857451	1	49	0.0	-73.57	385.08	1.14	-72.43
CC1(O)CC[N@H+](CC(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)C1	REAL300028857480	0	54	0.0	-66.23	415.30	-0.88	-67.11
C[NH+]1CC(CC(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)C1	REAL300028857506	0	50	0.0	-67.29	381.56	2.29	-65.00
C[N@H+](CCO)CCC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028857531	0	53	0.0	-67.49	403.61	-0.69	-68.18
C[N@@H+](CCO)CCC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028857531	1	53	0.0	-67.49	403.61	-0.69	-68.18
C[N@@H+]1CCCCC1CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028857547	0	56	0.0	-67.20	417.90	2.97	-64.23
C[N@H+]1CCCCC1CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028857547	1	56	0.0	-67.20	417.90	2.97	-64.23
CC(C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21)N1CC(C)C1	REAL300028857558	0	53	0.0	-61.39	395.30	2.33	-59.06
CC(C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21)[NH+]1CC(C)C1	REAL300028857558	1	53	0.0	-61.39	395.30	2.33	-59.06
CC1CCN1CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028857560	0	50	0.0	-62.37	382.52	2.00	-60.37
CC1CC[N@@H+]1CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028857560	1	50	0.0	-61.63	383.37	2.36	-59.27
CC1CC[N@H+]1CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028857560	1	50	0.0	-61.63	383.37	2.36	-59.27
C[NH+](C)CC=CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028857566	0	50	0.0	-67.45	391.92	1.85	-65.60
CC1(C)CN(CC(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)C1	REAL300028857572	0	53	0.0	-67.61	409.01	2.27	-65.34
CC1(C)C[NH+](CC(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)C1	REAL300028857572	1	53	0.0	-67.61	409.01	2.27	-65.34
C[NH+](C)CCSCC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028857591	0	53	0.0	-71.59	419.09	3.27	-68.32
O=C(C[N@H+]1CCCC1CO)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028857608	0	54	0.0	-63.79	401.09	0.30	-63.49
CC[NH+](CC)CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028857612	0	52	0.0	-62.95	387.95	2.55	-60.40
O=C(CN1CCC1)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028857621	0	47	0.0	-65.29	369.73	1.21	-64.08
O=C(C[NH+]1CCC1)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028857621	1	47	0.0	-65.29	369.73	1.21	-64.08
CC[NH+](CC)CCC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028857651	0	55	0.0	-67.15	408.14	3.29	-63.86
CC(C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21)N1CCC1	REAL300028857707	0	50	0.0	-66.29	388.28	2.32	-63.97
CC(C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21)[NH+]1CCC1	REAL300028857707	1	50	0.0	-66.29	388.28	2.32	-63.97
CCC(CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21)C[NH+](C)C	REAL300028857712	0	58	0.0	-66.77	423.46	3.94	-62.83
C[NH+](C)CC(C)(C)C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028857718	0	55	0.0	-51.90	387.86	2.63	-49.27
C[N@@H+]1CCCC[C@@H]1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028857752	0	53	0.0	-62.47	395.64	3.39	-59.08
C[NH+](C)CC(O)CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028857774	0	53	0.0	-69.60	403.46	0.40	-69.20
C=CCC(C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21)[NH+](C)C	REAL300028857795	0	53	0.0	-57.78	396.28	2.70	-55.08
C[NH+]1CCC(C)(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)CC1	REAL300028857807	0	56	0.0	-64.44	398.25	2.71	-61.73
C[NH+](C)CCSCC(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028857867	0	53	0.0	-81.87	419.30	2.36	-79.51
C[NH+](C)CC(=O)NC1CS(=O)(=O)C12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028857954	1	48	0.0	-76.10	372.67	-0.41	-76.51
C[NH+](C)CC(=O)N1CCC2(CC1)C(NC(=O)C1=CC(=O)[N-]O1)CS2(=O)=O	REAL300028858174	1	48	0.0	-68.54	375.76	-0.17	-68.71
O=C(C[NH+]1CCC1)N1CCC2(CC1)C(NC(=O)C1=CC(=O)[N-]O1)CS2(=O)=O	REAL300028858183	1	49	0.0	-68.91	391.50	0.39	-68.52
C[N@@H+]1CCCC1C(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028858352	0	57	0.0	-60.65	421.77	4.04	-56.61
C[N@H+]1CCCC1C(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028858352	1	57	0.0	-60.64	419.38	3.96	-56.68
C[N@@H+]1CCOC(C(=O)N2C[C@@H](CC(C)(C)C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028858376	1	58	0.0	-69.31	431.25	4.16	-65.15
C[N@H+]1CCOC(C(=O)N2C[C@@H](CC(C)(C)C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028858376	1	58	0.0	-66.43	427.11	3.63	-62.80
CC1=[NH+]C=CN1CC(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028858516	1	55	0.0	-60.72	430.24	5.05	-55.67
C[C@@H]1[C@H](C(=O)N2C[C@@H](CC(C)(C)C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028858536	0	60	0.0	-63.40	437.71	4.75	-58.65
C[C@@H]1[C@H](C(=O)N2C[C@@H](CC(C)(C)C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028858536	1	60	0.0	-62.14	442.34	4.79	-57.35
C[NH+](C)C1(C(=O)N2C[C@@H](CC(C)(C)C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300028858557	0	60	0.0	-60.61	433.64	4.76	-55.85
CC(C)[C@@H](C(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028858559	0	62	0.0	-59.83	445.41	5.52	-54.31
C[N@H+](CC(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300028858570	0	60	0.0	-58.85	447.47	5.59	-53.26
C[N@@H+](CC(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300028858570	1	60	0.0	-60.85	446.96	5.43	-55.42
C[NH+]1CCC(C(=O)N2C[C@@H](CC(C)(C)C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028858597	0	60	0.0	-66.32	441.01	4.84	-61.48
C[N@@H+]1CCCCC1C(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028858604	0	60	0.0	-58.84	441.29	5.09	-53.75
C[N@H+]1CCCCC1C(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028858604	1	60	0.0	-60.32	438.56	5.40	-54.92
CC1=C[NH+]=CN1CC(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028858622	1	55	0.0	-61.01	430.22	5.91	-55.10
C[N@@H+]1CCC(CC(=O)N2C[C@@H](CC(C)(C)C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028858632	0	60	0.0	-65.54	446.94	5.15	-60.39
C[N@H+]1CCC(CC(=O)N2C[C@@H](CC(C)(C)C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028858632	1	60	0.0	-65.08	447.50	5.11	-59.97
CCC(C(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028858635	0	59	0.0	-59.86	429.83	4.43	-55.43
C[NH+](C)CCCCC(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028858650	0	62	0.0	-65.39	467.13	5.69	-59.70
CC(C)C(C(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028858655	0	62	0.0	-58.95	443.36	4.92	-54.03
CCC[N@H+](C)CCC(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028858656	0	62	0.0	-62.58	462.83	5.60	-56.98
CCC[N@@H+](C)CCC(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028858656	1	62	0.0	-62.37	462.81	5.61	-56.76
CCC[N@H+](C)CC(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028858657	0	59	0.0	-62.80	440.08	4.88	-57.92
CCC[N@@H+](C)CC(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028858657	1	59	0.0	-62.73	440.02	4.87	-57.86
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028858672	0	57	0.0	-60.74	421.77	4.04	-56.70
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028858672	1	57	0.0	-58.16	422.69	4.41	-53.75
CC[NH+](CC)CC(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028858684	0	59	0.0	-60.99	436.35	4.77	-56.22
C[NH+](C)CC1(C(=O)N2C[C@@H](CC(C)(C)C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028858739	0	60	0.0	-66.95	445.72	5.11	-61.84
C[NH+]1CCC(C(=O)N2C[C@@H](CC(C)(C)C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028858765	0	60	0.0	-66.32	441.01	4.84	-61.48
CC(C)[C@H](C(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028858780	0	62	0.0	-59.98	449.28	5.14	-54.84
CC[N@H+](C)CCC(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028858815	0	59	0.0	-62.03	441.32	4.85	-57.18
CC[N@@H+](C)CCC(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028858815	1	59	0.0	-59.89	440.57	4.83	-55.06
CC1CCC[N@@H+]1CC(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028858826	0	60	0.0	-59.78	446.17	5.25	-54.53
CC1CCC[N@H+]1CC(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028858826	1	60	0.0	-57.45	439.90	5.00	-52.45
CC1CC[N@H+](CC(=O)N2C[C@@H](CC(C)(C)C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028858827	0	60	0.0	-59.74	446.55	5.30	-54.44
CC1CC[N@@H+](CC(=O)N2C[C@@H](CC(C)(C)C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028858827	1	60	0.0	-57.76	446.52	5.29	-52.47
CC[C@@H](C(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028858830	0	59	0.0	-59.21	431.07	4.61	-54.60
C[NH+](C)CC(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028858869	0	53	0.0	-63.18	400.68	3.53	-59.65
CN1C=C[N+](CC(=O)N2C[C@@H](CC(C)(C)C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300028858870	0	55	0.0	-59.87	432.45	7.13	-52.74
C[N@@H+]1CCCC(C(=O)N2C[C@@H](CC(C)(C)C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028858873	0	60	0.0	-60.38	432.23	5.40	-54.98
C[N@H+]1CCCC(C(=O)N2C[C@@H](CC(C)(C)C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028858873	1	60	0.0	-67.08	435.33	5.08	-62.00
CC(C(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300028858881	1	57	0.0	-61.31	420.57	4.06	-57.25
C[NH+](C)CC(C)(C)C(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028858884	0	62	0.0	-62.41	443.30	4.87	-57.54
C[N@H+](CC(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028858891	0	57	0.0	-59.71	432.30	5.01	-54.70
C[N@@H+](CC(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028858891	1	57	0.0	-61.07	427.21	5.30	-55.77
C[NH+]1CC(CC(=O)N2C[C@@H](CC(C)(C)C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028858902	0	57	0.0	-63.48	432.55	4.45	-59.03
C[C@@H](C(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028858915	0	56	0.0	-60.97	421.60	3.97	-57.00
C[N@H+](CCO)CCC(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028858955	0	60	0.0	-61.65	451.67	1.65	-60.00
C[N@@H+](CCO)CCC(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028858955	1	60	0.0	-62.14	451.54	1.65	-60.49
C[C@@H](C(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028858956	0	56	0.0	-60.97	421.60	3.97	-57.00
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028858959	0	60	0.0	-62.01	433.75	4.72	-57.29
C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028858959	1	60	0.0	-59.96	441.02	5.12	-54.84
CC(C)(C)C[C@@H]1CN(C(=O)C[NH+]2CCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028858986	1	54	0.0	-63.35	407.90	4.31	-59.04
C[N@@H+]1CCC(=CC(=O)N2C[C@@H](CC(C)(C)C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028858996	0	58	0.0	-64.85	438.15	5.09	-59.76
C[N@H+]1CCC(=CC(=O)N2C[C@@H](CC(C)(C)C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028858996	1	58	0.0	-67.44	441.13	5.12	-62.32
C[NH+](C)CCOCC(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028859006	0	60	0.0	-65.09	456.63	4.57	-60.52
C[C@H](C(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028859017	0	56	0.0	-61.92	415.28	4.20	-57.72
CC1C[NH+](CC(=O)N2C[C@@H](CC(C)(C)C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028859034	1	57	0.0	-62.22	430.78	4.70	-57.52
C[N@H+](CCO)CC(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028859047	1	57	0.0	-61.54	429.30	1.05	-60.49
C[N@@H+](CCO)CC(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028859047	1	57	0.0	-60.20	428.99	1.04	-59.16
CC(CC(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300028859059	0	62	0.0	-65.55	458.00	5.48	-60.07
CC[N@H+](C)CC(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028859061	0	56	0.0	-60.31	418.95	4.28	-56.03
CC[N@@H+](C)CC(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028859061	1	56	0.0	-62.37	418.57	4.13	-58.24
CC[N@H+](CC(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028859071	0	60	0.0	-60.43	441.76	5.10	-55.33
CC[N@@H+](CC(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028859071	1	60	0.0	-59.62	447.08	5.53	-54.09
CC[NH+](CC)CCC(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028859077	0	62	0.0	-61.00	454.64	5.27	-55.73
CC(C)(C)C[C@@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028859085	1	60	0.0	-62.18	451.46	5.08	-57.10
C[NH+](C)CC=CC(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028859093	0	57	0.0	-66.86	437.32	4.69	-62.17
COCC[N@H+](C)CC(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028859102	1	60	0.0	-59.99	451.51	3.48	-56.51
COCC[N@@H+](C)CC(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028859102	1	60	0.0	-62.97	451.13	3.29	-59.68
CC(CCC(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028859112	0	62	0.0	-62.64	459.73	5.42	-57.22
CC[N@@H+]1CCC1C(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028859117	1	57	0.0	-60.91	422.77	4.02	-56.89
CC[N@H+]1CCC1C(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028859117	1	57	0.0	-59.95	426.05	4.15	-55.80
C=CCC(C(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028859142	0	60	0.0	-57.57	440.45	4.91	-52.66
CC(C)(C)C[C@@H]1CN(C(=O)C[NH+]2CC3CC3C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028859150	0	58	0.0	-61.66	435.22	5.36	-56.30
CCCC(C(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028859159	0	62	0.0	-61.39	450.80	5.24	-56.15
C[NH+](C)C(C)(C)C(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028859161	0	59	0.0	-76.62	422.38	4.27	-72.35
C[N@@H+]1CCCCC1C(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028859172	0	60	0.0	-58.84	441.29	5.09	-53.75
C[N@H+]1CCCCC1C(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028859172	1	60	0.0	-60.32	438.56	5.40	-54.92
C[NH+](C)C1(C(=O)N2C[C@@H](CC(C)(C)C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028859210	0	57	0.0	-61.19	423.13	4.12	-57.07
CC(C)(C)C[C@@H]1CN(C(=O)CC[NH+]2CCCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028859211	0	60	0.0	-62.94	449.31	5.22	-57.72
C[N@@H+]1CC2CC1(C(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028859222	0	58	0.0	-60.48	428.03	4.52	-55.96
C[N@H+]1CC2CC1(C(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028859222	1	58	0.0	-59.12	428.57	4.48	-54.64
CC(C[NH+](C)C)C(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028859258	0	59	0.0	-65.10	432.24	4.87	-60.23
CC(C(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300028859281	0	60	0.0	-60.21	449.76	5.12	-55.09
CC1CC[N@@H+]1CC(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028859282	1	57	0.0	-58.65	426.96	4.42	-54.23
CC1CC[N@H+]1CC(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028859282	1	57	0.0	-61.18	432.10	4.53	-56.65
C[NH+](C)CC(O)CC(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028859284	0	60	0.0	-67.91	453.37	2.56	-65.35
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@@H](CC(C)(C)C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028859314	0	60	0.0	-65.18	449.84	5.25	-59.93
CC(CC[NH+](C)C)C(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028859315	0	62	0.0	-66.19	453.88	5.48	-60.71
CC(C)(C)C[C@@H]1CN(C(=O)CSC(N)=[NH2+])C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028859336	0	51	0.0	-59.68	408.39	0.58	-59.10
CCC1C[NH+](CC(=O)N2C[C@@H](CC(C)(C)C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028859398	0	60	0.0	-62.86	453.35	5.43	-57.43
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028859402	0	57	0.0	-60.43	420.45	4.63	-55.80
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028859402	1	57	0.0	-60.30	418.99	4.05	-56.25
CC(C)(C)C[C@@H]1CN(C(=O)C[NH+]2CCCCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028859409	0	60	0.0	-60.82	444.66	5.42	-55.40
CC1C(C(=O)N2C[C@@H](CC(C)(C)C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028859413	0	60	0.0	-61.63	440.78	4.71	-56.92
CC1C(C(=O)N2C[C@@H](CC(C)(C)C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028859413	1	60	0.0	-60.52	436.73	4.61	-55.91
C[N@@H+]1CCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028859593	0	57	0.0	-59.81	422.94	4.42	-55.39
C[N@H+]1CCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028859593	1	57	0.0	-71.36	423.66	4.54	-66.82
C[N@@H+]1CCOC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2CC(C)(C)C)C1	REAL300028859619	1	58	0.0	-80.69	430.23	3.71	-76.98
C[N@H+]1CCOC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2CC(C)(C)C)C1	REAL300028859619	1	58	0.0	-56.19	428.61	3.79	-52.40
C[N@@H+]1CCC(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2CC(C)(C)C)C1	REAL300028859770	0	60	0.0	-76.57	444.46	4.96	-71.61
C[N@H+]1CCC(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2CC(C)(C)C)C1	REAL300028859770	1	60	0.0	-68.70	445.00	5.14	-63.56
CCC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C)[NH+](C)C	REAL300028859773	0	59	0.0	-60.75	427.43	4.49	-56.26
C[NH+](C)CCCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028859784	0	62	0.0	-72.55	465.48	5.60	-66.95
CC(C)C(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C)[NH+](C)C	REAL300028859790	0	62	0.0	-71.72	449.10	5.72	-66.00
CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028859791	0	62	0.0	-72.01	461.71	5.41	-66.60
CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028859791	1	62	0.0	-71.81	461.71	5.41	-66.40
CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028859792	0	59	0.0	-75.69	433.69	5.16	-70.53
CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028859792	1	59	0.0	-69.82	439.24	4.84	-64.98
C[NH+](C)CC1(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2CC(C)(C)C)CC1	REAL300028859831	0	60	0.0	-67.97	447.57	5.32	-62.65
CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028859838	0	59	0.0	-73.86	438.06	4.56	-69.30
CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028859838	1	59	0.0	-73.71	438.06	4.56	-69.15
C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2CC(C)(C)C)CC1	REAL300028859864	0	60	0.0	-63.07	441.83	5.11	-57.96
CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C)[NH+](C)C	REAL300028859879	0	62	0.0	-66.94	443.86	4.93	-62.01
C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2CC(C)(C)C)CCC1	REAL300028859907	0	60	0.0	-68.14	431.77	5.02	-63.12
CC1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028859932	0	60	0.0	-66.49	437.53	4.76	-61.73
CC1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028859932	1	60	0.0	-66.11	438.72	4.81	-61.30
CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C)[NH+](C)C	REAL300028859946	0	62	0.0	-70.85	443.99	4.93	-65.92
CC1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2CC(C)(C)C)C1	REAL300028859954	0	60	0.0	-72.86	443.77	5.08	-67.78
CC1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2CC(C)(C)C)C1	REAL300028859954	1	60	0.0	-74.24	443.19	5.17	-69.07
CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C)[NH+](C)C	REAL300028859957	0	59	0.0	-73.32	424.57	4.68	-68.64
CC1=[NH+]C=CN1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028859999	1	55	0.0	-68.79	426.90	5.03	-63.76
CC1=C[NH+]=CN1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028860018	1	55	0.0	-73.52	427.26	5.77	-67.75
C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2CC(C)(C)C)CC[N@@H+]1C	REAL300028860019	0	60	0.0	-75.97	436.83	4.43	-71.54
C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2CC(C)(C)C)CC[N@H+]1C	REAL300028860019	1	60	0.0	-75.70	440.01	4.88	-70.82
C[N@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C)C1CCC1	REAL300028860052	0	60	0.0	-72.91	440.58	5.73	-67.18
C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C)C1CCC1	REAL300028860052	1	60	0.0	-73.54	440.69	5.74	-67.80
C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2CC(C)(C)C)CC1	REAL300028860059	0	60	0.0	-63.07	441.83	5.11	-57.96
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028860072	0	57	0.0	-72.69	417.82	4.05	-68.64
C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028860072	1	57	0.0	-71.16	421.07	4.78	-66.38
C[N@@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028860116	0	60	0.0	-61.82	431.03	4.93	-56.89
C[N@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028860116	1	60	0.0	-63.42	442.11	5.06	-58.36
CC1C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2CC(C)(C)C)CC[N@@H+]1C	REAL300028860145	0	60	0.0	-71.97	440.26	4.57	-67.40
CC1C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2CC(C)(C)C)CC[N@H+]1C	REAL300028860145	1	60	0.0	-76.11	440.16	5.35	-70.76
C[C@@H](C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C)[NH+](C)C	REAL300028860187	0	56	0.0	-72.50	415.04	3.89	-68.61
CC(C)(C)C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC[NH+]1CCCC1	REAL300028860205	0	60	0.0	-70.71	447.32	5.07	-65.64
C[N@H+](CCO)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028860210	1	57	0.0	-77.03	422.56	1.19	-75.84
C[N@@H+](CCO)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028860210	1	57	0.0	-69.16	427.85	0.88	-68.28
CC1C[NH+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2CC(C)(C)C)C1	REAL300028860261	1	57	0.0	-73.29	428.07	4.52	-68.77
CC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028860296	0	56	0.0	-75.31	412.19	4.43	-70.88
CC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028860296	1	56	0.0	-75.45	412.21	4.43	-71.02
COCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028860349	1	60	0.0	-68.61	450.11	3.28	-65.33
COCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028860349	1	60	0.0	-77.54	444.80	3.59	-73.95
CC(CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C)[NH+](C)C	REAL300028860351	0	62	0.0	-71.19	455.12	5.09	-66.10
CC[N@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C)C1CC1	REAL300028860356	0	60	0.0	-69.81	446.07	5.45	-64.36
CC[N@@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C)C1CC1	REAL300028860356	1	60	0.0	-72.56	443.48	5.77	-66.79
C[N@@H+]1CC2CC1(C(=O)N[C@@H]1CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]1CC(C)(C)C)C2	REAL300028860369	0	58	0.0	-70.76	432.05	4.63	-66.13
C[N@H+]1CC2CC1(C(=O)N[C@@H]1CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]1CC(C)(C)C)C2	REAL300028860369	1	58	0.0	-74.54	430.60	4.67	-69.87
CC(C[NH+](C)C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028860378	0	59	0.0	-67.53	437.68	4.79	-62.74
C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2CC(C)(C)C)CC1	REAL300028860384	0	57	0.0	-60.93	424.77	4.13	-56.80
C[C@H](C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C)[NH+](C)C	REAL300028860395	0	56	0.0	-72.86	412.94	4.14	-68.72
CC[N@@H+]1CCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028860398	1	57	0.0	-60.73	428.90	4.45	-56.28
CC[N@H+]1CCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028860398	1	57	0.0	-71.02	422.40	4.01	-67.01
CC(C)(C)C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=C[NH+]=CC=C1N	REAL300028860414	0	53	0.0	-77.74	406.04	1.92	-75.82
CCCC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C)[NH+](C)C	REAL300028860418	0	62	0.0	-66.26	455.37	5.45	-60.81
C[NH+](C)C(C)(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028860421	0	59	0.0	-70.95	427.25	4.54	-66.41
CC(CC[NH+](C)C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028860430	0	62	0.0	-67.02	458.40	5.42	-61.60
CC(C)(C)C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[NH+]1CC2CC2C1	REAL300028860493	0	58	0.0	-76.04	429.80	5.64	-70.40
C[N@@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028860504	0	60	0.0	-61.82	431.03	4.93	-56.89
C[N@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028860504	1	60	0.0	-63.42	442.11	5.06	-58.36
C[N@@H+]1CCC(=CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2CC(C)(C)C)C1	REAL300028860532	0	58	0.0	-73.59	438.98	4.99	-68.60
C[N@H+]1CCC(=CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2CC(C)(C)C)C1	REAL300028860532	1	58	0.0	-77.74	432.36	5.34	-72.40
CCC1C[NH+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2CC(C)(C)C)C1	REAL300028860556	1	60	0.0	-73.29	450.63	5.22	-68.07
C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028860561	0	57	0.0	-70.50	423.29	4.45	-66.05
C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028860561	1	57	0.0	-72.54	420.29	3.97	-68.57
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2CC(C)(C)C)C1	REAL300028860605	0	60	0.0	-76.77	447.04	5.15	-71.62
C[NH+](C)CCOCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028860623	0	60	0.0	-69.76	453.49	4.39	-65.37
CC(C)(C)C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[NH+]1CCCCC1	REAL300028860658	0	60	0.0	-69.42	441.74	5.29	-64.13
C[N@@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2CC(C)(C)C)C1	REAL300028860659	0	60	0.0	-61.32	438.37	5.25	-56.07
C[N@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2CC(C)(C)C)C1	REAL300028860659	1	60	0.0	-74.92	442.08	5.06	-69.86
CN1C=C[N+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2CC(C)(C)C)=C1	REAL300028860660	0	55	0.0	-68.33	431.25	6.93	-61.40
C[N@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C)C1CC1	REAL300028860670	0	57	0.0	-70.17	426.75	4.83	-65.34
C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C)C1CC1	REAL300028860670	1	57	0.0	-67.01	429.39	4.86	-62.15
CC(CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C)C[NH+](C)C	REAL300028860678	0	62	0.0	-73.34	455.10	5.36	-67.98
C[NH+]1CC(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2CC(C)(C)C)C1	REAL300028860729	0	57	0.0	-74.24	429.41	4.19	-70.05
C[NH+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028860736	0	53	0.0	-75.87	394.59	3.78	-72.09
C[N@H+](CCO)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028860746	0	60	0.0	-70.10	450.57	1.45	-68.65
C[N@@H+](CCO)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028860746	1	60	0.0	-73.37	448.43	1.33	-72.04
C[C@@H](C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C)[NH+](C)C	REAL300028860747	0	56	0.0	-72.50	415.04	3.89	-68.61
CC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C)[NH+]1CC(C)C1	REAL300028860761	1	60	0.0	-57.48	444.78	5.18	-52.30
CC1CC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028860762	1	57	0.0	-67.09	425.74	4.22	-62.87
CC1CC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028860762	1	57	0.0	-69.23	431.34	4.50	-64.73
C[NH+](C)CC=CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028860764	0	57	0.0	-77.60	434.01	4.55	-73.05
CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028860785	0	59	0.0	-71.66	433.33	4.79	-66.87
CC[NH+](CC)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028860810	0	62	0.0	-70.33	453.52	5.08	-65.25
CC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C)[NH+]1CCC1	REAL300028860841	1	57	0.0	-72.59	425.52	4.51	-68.08
C[NH+](C)CC(C)(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028860845	0	62	0.0	-55.19	444.91	5.15	-50.04
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028860866	0	60	0.0	-66.00	432.84	4.89	-61.11
C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028860866	1	60	0.0	-68.27	439.61	5.03	-63.24
C[NH+](C)CC(O)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C	REAL300028860876	0	60	0.0	-80.85	446.65	2.79	-78.06
C=CCC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC(C)(C)C)[NH+](C)C	REAL300028860888	0	60	0.0	-66.29	447.88	5.15	-61.14
C[N@@H+]1CCCC1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028861088	0	49	0.0	-59.49	383.00	3.95	-55.54
C[N@H+]1CCCC1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028861088	1	49	0.0	-60.70	380.38	3.35	-57.35
C[N@@H+]1CCOC(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028861112	1	50	0.0	-63.89	387.55	3.00	-60.89
C[N@H+]1CCOC(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028861112	1	50	0.0	-67.30	395.87	3.18	-64.12
CC(C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300028861283	0	58	0.0	-69.60	429.53	5.31	-64.29
CC(C)[N@@H+]1CCCCC1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028861285	0	58	0.0	-56.84	433.24	5.51	-51.33
CC(C)[N@H+]1CCCCC1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028861285	1	58	0.0	-57.08	424.56	5.39	-51.69
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028861306	0	55	0.0	-56.94	417.21	4.84	-52.10
CC(C)[N@H+]1CCCC1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028861306	1	55	0.0	-57.82	417.75	4.98	-52.84
O=C(N[C@@H]1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028861323	0	56	0.0	-59.66	427.78	5.54	-54.12
O=C(N[C@@H]1CN(C(=O)C2CC3CCCC[N@H+]3C2)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028861323	1	56	0.0	-63.29	426.97	5.38	-57.91
CC(C)C1=[NH+]C=CN1CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028861345	1	53	0.0	-59.31	428.53	5.53	-53.78
CC1=[NH+]C=CN1CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028861379	1	47	0.0	-61.01	392.31	4.41	-56.60
CC(C[NH+]1CCOCC1)C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028861381	0	56	0.0	-61.00	429.53	3.35	-57.65
O=C(CCC[NH+]1CCCCC1)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028861398	0	58	0.0	-64.72	447.58	6.10	-58.62
CC(C)(C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300028861417	0	58	0.0	-57.69	424.39	5.59	-52.10
O=C(N[C@@H]1CN(C(=O)C2C[NH+]3CCC2CC3)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028861427	0	53	0.0	-65.32	398.52	4.73	-60.59
O=C(N[C@@H]1CN(C(=O)C2CCCC3CCC[N@@H+]32)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028861473	0	56	0.0	-54.99	422.23	5.44	-49.55
O=C(N[C@@H]1CN(C(=O)C2CCCC3CCC[N@H+]32)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028861473	1	56	0.0	-56.81	422.30	5.43	-51.38
C[C@@H]1[C@H](C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028861489	0	52	0.0	-65.01	397.07	4.04	-60.97
C[C@@H]1[C@H](C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028861489	1	52	0.0	-62.81	403.24	4.41	-58.40
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028861494	0	55	0.0	-63.90	415.30	4.40	-59.50
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028861494	1	55	0.0	-62.20	419.53	4.91	-57.29
CC[N@@H+]1CCOC(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028861509	1	53	0.0	-56.65	413.61	3.86	-52.79
CC[N@H+]1CCOC(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028861509	1	53	0.0	-64.06	405.91	3.60	-60.46
CC[NH+](CC)CC(F)C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028861555	0	54	0.0	-62.23	422.07	5.05	-57.18
CC1CCC(C)[NH+]1CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028861628	0	55	0.0	-59.35	417.79	5.10	-54.25
O=C(CCC[NH+]1CCCC1)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028861634	0	55	0.0	-64.75	431.47	5.42	-59.33
C[NH+](C)CC1=CC=CC(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300028861635	0	55	0.0	-65.43	436.38	5.96	-59.47
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028861640	0	54	0.0	-67.67	426.95	5.43	-62.24
O=C(CC[NH+]1CCCCC1)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028861641	0	55	0.0	-64.05	425.60	5.32	-58.73
C[NH+](C)CC1=CC=CC=C1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028861644	0	55	0.0	-57.50	434.18	6.01	-51.49
CC[N@@H+]1CCCCC1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028861648	0	55	0.0	-57.89	421.53	5.22	-52.67
CC[N@H+]1CCCCC1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028861648	1	55	0.0	-59.63	408.47	4.62	-55.01
C[NH+](C)C(C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300028861651	1	55	0.0	-61.08	434.20	6.12	-54.96
CC(C)C[N@@H+]1CCC(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028861668	0	58	0.0	-62.53	442.14	6.07	-56.46
CC(C)C[N@H+]1CCC(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028861668	1	58	0.0	-61.35	443.59	5.68	-55.67
C[NH+](C)C1(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300028861672	0	52	0.0	-61.05	388.41	4.12	-56.93
CC(C)[N@@H+]1CCCC1CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028861674	0	58	0.0	-59.52	444.37	5.59	-53.93
CC(C)[N@H+]1CCCC1CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028861674	1	58	0.0	-59.31	440.18	5.52	-53.79
CC(C)[C@@H](C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028861689	0	54	0.0	-60.85	405.67	5.05	-55.80
C[N@H+](CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300028861738	0	52	0.0	-60.51	407.58	4.98	-55.53
C[N@@H+](CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300028861738	1	52	0.0	-61.33	407.73	4.84	-56.49
CC(C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300028861802	0	58	0.0	-57.65	418.44	4.89	-52.76
CN(CCC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300028861858	0	54	0.0	-57.75	436.95	4.61	-53.14
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028861866	1	51	0.0	-58.85	407.05	4.60	-54.25
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028861866	1	51	0.0	-59.69	411.89	5.15	-54.54
C[N@@H+]1CCCC1CCC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028861872	0	55	0.0	-64.20	429.02	5.39	-58.81
C[N@H+]1CCCC1CCC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028861872	1	55	0.0	-64.66	426.01	5.18	-59.48
O=C(N[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028861883	0	56	0.0	-74.33	409.64	4.57	-69.76
O=C(N[C@@H]1CN(C(=O)C2CCC3CCCC[N@@H+]32)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028861890	0	56	0.0	-57.60	425.34	5.82	-51.78
O=C(N[C@@H]1CN(C(=O)C2CCC3CCCC[N@H+]32)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028861890	1	56	0.0	-54.07	426.57	5.69	-48.38
O=C(CCCC[NH+]1CCCC1)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028861910	0	58	0.0	-63.51	453.46	6.25	-57.26
C[N@H+](CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300028861912	1	55	0.0	-66.41	438.26	6.45	-59.96
C[N@@H+](CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300028861912	1	55	0.0	-66.40	438.32	6.45	-59.95
C[NH+]1CCC(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028861923	0	52	0.0	-66.71	402.72	4.24	-62.47
C[NH+](C)CC1=CC(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300028861964	1	51	0.0	-74.25	417.51	4.13	-70.12
CC1=C(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300028861965	0	50	0.0	-63.99	414.80	6.58	-57.41
C[N@@H+]1CCCCC1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028861997	0	52	0.0	-59.30	403.07	4.45	-54.85
C[N@H+]1CCCCC1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028861997	1	52	0.0	-61.03	401.24	4.53	-56.50
CC(C)C[N@@H+]1CCCC1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028862020	0	58	0.0	-56.80	439.59	5.51	-51.29
CC(C)C[N@H+]1CCCC1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028862020	1	58	0.0	-57.62	444.61	5.95	-51.67
O=C(N[C@@H]1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028862125	0	47	0.0	-65.84	396.55	6.28	-59.56
CC1=[NH+]C=CN1CCCC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028862134	1	53	0.0	-62.37	432.61	5.80	-56.57
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300028862139	0	55	0.0	-70.27	438.07	5.96	-64.31
O=C(CC[NH+]1CCOCC1)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028862140	1	53	0.0	-64.80	417.40	2.94	-61.86
CC1=C[NH+]=CN1CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028862171	1	47	0.0	-62.92	392.64	5.14	-57.78
O=C(CN1C=[NH+]C2=C1CCCC2)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028862177	1	54	0.0	-61.88	433.19	6.94	-54.94
O=C(N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028862213	0	53	0.0	-68.76	400.67	4.30	-64.46
C[NH+](C)C1CCCC(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028862242	0	58	0.0	-61.65	430.36	5.29	-56.36
C[N@@H+]1CCC(CC(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028862245	0	52	0.0	-65.58	408.46	4.80	-60.78
C[N@H+]1CCC(CC(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028862245	1	52	0.0	-66.20	408.33	4.51	-61.69
CN(C)C1=CC=[NH+]C=C1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028862257	0	51	0.0	-62.39	411.90	2.82	-59.57
CCC(C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028862262	0	51	0.0	-61.50	390.57	3.84	-57.66
C[NH+](C)C1(CC(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300028862276	0	58	0.0	-64.16	425.45	5.65	-58.51
O=C(N[C@@H]1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028862320	1	47	0.0	-66.69	397.13	6.25	-60.44
C[NH+](C)CCCCC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028862378	0	54	0.0	-66.85	426.97	5.02	-61.83
CC(C)C(C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028862398	0	54	0.0	-61.91	406.10	4.44	-57.47
CCC[N@H+](C)CCC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028862400	0	54	0.0	-65.15	423.23	4.86	-60.29
CCC[N@@H+](C)CCC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028862400	1	54	0.0	-65.05	423.67	4.81	-60.24
CCC[N@H+](C)CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028862406	0	51	0.0	-63.19	400.84	4.28	-58.91
CCC[N@@H+](C)CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028862406	1	51	0.0	-63.16	400.84	4.28	-58.88
O=C(N[C@@H]1CN(C(=O)C23CC[N@H+](C2)CCC3)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028862430	0	53	0.0	-64.52	394.14	4.04	-60.48
O=C(N[C@@H]1CN(C(=O)C23CC[N@@H+](C2)CCC3)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028862430	1	53	0.0	-64.95	395.35	3.72	-61.23
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028862470	0	49	0.0	-55.24	379.66	3.38	-51.86
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028862470	1	49	0.0	-60.46	382.66	3.70	-56.76
CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028862530	0	60	0.0	-64.30	465.33	6.62	-57.68
CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028862530	1	60	0.0	-64.25	465.33	6.62	-57.63
CC[NH+](CC)C(C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300028862535	0	60	0.0	-58.77	436.36	5.69	-53.08
CC[NH+](CC)CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028862544	0	51	0.0	-59.62	393.71	3.99	-55.63
CCC[N@@H+]1CCCC(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028862576	0	58	0.0	-59.51	435.31	5.80	-53.71
CCC[N@H+]1CCCC(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028862576	1	58	0.0	-62.95	446.20	5.84	-57.11
CC(C)[N@@H+]1CCOC(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028862593	1	56	0.0	-64.50	429.09	4.68	-59.82
CC(C)[N@H+]1CCOC(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028862593	1	56	0.0	-65.18	429.74	4.34	-60.84
CC1CC[NH+](CC(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028862625	0	55	0.0	-60.69	424.72	5.39	-55.30
C[NH+]1CCC(OCC(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028862653	0	56	0.0	-67.54	442.09	5.08	-62.46
C[NH+](C)CC1(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028862667	0	52	0.0	-63.66	409.92	4.34	-59.32
CC1=[NH+]C=C2CCC(C(=O)N3C[C@@H](C4CC4)[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300028862668	1	54	0.0	-69.65	430.04	5.60	-64.05
CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028862743	0	58	0.0	-63.73	436.59	5.46	-58.27
C[NH+]1CCC(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028862764	0	52	0.0	-66.71	402.72	4.24	-62.47
CC(C)[C@H](C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028862782	0	54	0.0	-61.09	405.49	4.69	-56.40
CCC(C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300028862813	0	57	0.0	-58.92	423.34	5.29	-53.63
CC[N@H+](C)CCC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028862875	0	51	0.0	-64.55	401.74	4.12	-60.43
CC[N@@H+](C)CCC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028862875	1	51	0.0	-64.50	402.16	4.09	-60.41
CC1CCC[N@@H+]1CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028862931	0	52	0.0	-58.28	400.83	4.30	-53.98
CC1CCC[N@H+]1CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028862931	1	52	0.0	-59.71	400.29	4.24	-55.47
CC1CC[N@H+](CC(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028862933	0	52	0.0	-62.19	407.62	4.75	-57.44
CC1CC[N@@H+](CC(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028862933	1	52	0.0	-61.78	407.47	4.59	-57.19
CC1=[NH+]C=C2CC(C(=O)N3C[C@@H](C4CC4)[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300028862935	1	54	0.0	-60.14	427.63	5.29	-54.85
CC1(C)CC[N@H+](CC(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028862938	0	55	0.0	-60.00	426.98	5.14	-54.86
CC1(C)CC[N@@H+](CC(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028862938	1	55	0.0	-61.95	427.04	5.09	-56.86
C[N@H+](CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300028862939	0	57	0.0	-62.60	429.44	5.28	-57.32
C[N@@H+](CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300028862939	1	57	0.0	-62.39	431.39	5.43	-56.96
CC[C@@H](C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028862948	0	51	0.0	-61.26	392.74	4.24	-57.02
C[NH+]1CCC(O)(CC(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028863127	0	56	0.0	-64.79	429.69	3.27	-61.52
C[NH+](C)CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863139	0	45	0.0	-63.43	361.67	3.23	-60.20
O=C(C[NH+]1CCC(CO)CC1)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863143	0	56	0.0	-63.06	435.53	2.08	-60.98
O=C(C[NH+]1CCCCCC1)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863145	0	55	0.0	-62.16	413.96	4.87	-57.29
CN1C=C[N+](CC(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300028863149	0	47	0.0	-61.85	394.11	6.32	-55.53
C[N@@H+]1CCCC(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028863156	0	52	0.0	-62.32	402.53	4.27	-58.05
C[N@H+]1CCCC(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028863156	1	52	0.0	-63.89	396.70	4.21	-59.68
O=C(N[C@@H]1CN(C(=O)C2CCC[N@@H+]2C2CC2)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028863161	0	53	0.0	-69.03	417.68	5.19	-63.84
O=C(N[C@@H]1CN(C(=O)C2CCC[N@H+]2C2CC2)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028863161	1	53	0.0	-57.73	411.56	5.19	-52.54
CC(C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300028863190	1	49	0.0	-62.65	380.58	3.64	-59.01
CCC(CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300028863196	0	57	0.0	-64.87	433.28	5.43	-59.44
C[NH+](C)CC(C)(C)C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863203	0	54	0.0	-60.05	400.34	4.06	-55.99
O=C(N[C@@H]1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028863221	0	54	0.0	-56.39	415.26	5.36	-51.03
O=C(N[C@@H]1CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028863221	1	54	0.0	-59.13	415.26	6.09	-53.04
O=C(C[NH+]1CCC(O)CC1)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863232	1	53	0.0	-65.72	414.79	1.73	-63.99
C[N@H+](CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028863233	0	49	0.0	-60.47	391.35	4.25	-56.22
C[N@@H+](CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028863233	1	49	0.0	-60.63	391.60	4.27	-56.36
CC(C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300028863234	1	57	0.0	-65.62	438.41	2.76	-62.86
C[NH+]1CC(CC(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028863253	0	49	0.0	-65.23	393.08	3.70	-61.53
O=C(N[C@@H]1CN(C(=O)C2CC[N@@H+]2C2CCCC2)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028863257	0	56	0.0	-59.91	425.96	5.46	-54.45
O=C(N[C@@H]1CN(C(=O)C2CC[N@H+]2C2CCCC2)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028863257	1	56	0.0	-60.87	425.88	5.27	-55.60
CC(C)(C)[N@@H+]1CCC1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863265	0	55	0.0	-59.79	401.26	3.94	-55.85
CC(C)(C)[N@H+]1CCC1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863265	1	55	0.0	-58.81	423.04	4.49	-54.32
C[C@@H](C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028863276	0	48	0.0	-61.69	378.21	3.23	-58.46
CCC1CCC[N@H+](CC(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028863318	0	58	0.0	-60.60	443.21	6.04	-54.56
CCC1CCC[N@@H+](CC(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028863318	1	58	0.0	-62.50	435.58	5.50	-57.00
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300028863326	0	53	0.0	-87.76	425.19	4.12	-83.64
[NH2+]=C1SC=CN1CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863371	0	45	0.0	-60.07	389.95	2.99	-57.08
C[N@H+](CCO)CCC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863381	0	52	0.0	-64.67	412.08	0.88	-63.79
C[N@@H+](CCO)CCC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863381	1	52	0.0	-63.75	413.48	1.05	-62.70
C[C@@H](C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028863382	0	48	0.0	-61.69	378.21	3.23	-58.46
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863386	0	52	0.0	-61.43	393.94	4.43	-57.00
C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863386	1	52	0.0	-61.03	401.24	4.52	-56.51
CC1CN2CC[N@@H+]1CC2C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863395	0	55	0.0	-65.15	412.18	1.60	-63.55
CC1CN2CC[N@H+]1CC2C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863395	1	55	0.0	-65.74	412.31	1.54	-64.20
O=C(CC1=CC2=C[NH+]=CN2C=C1)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863441	0	50	0.0	-66.10	417.29	7.02	-59.08
C[N@H+](CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300028863466	0	53	0.0	-67.72	420.97	5.10	-62.62
C[N@@H+](CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300028863466	1	53	0.0	-66.95	421.03	5.22	-61.73
O=C(C[NH+]1CCC1)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863467	1	46	0.0	-62.55	371.72	3.61	-58.94
C[NH+](C)CC1=CC(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC=N1	REAL300028863497	1	54	0.0	-65.32	429.71	4.38	-60.94
C[N@@H+]1CCC(=CC(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028863499	0	50	0.0	-66.79	400.02	4.44	-62.35
C[N@H+]1CCC(=CC(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028863499	1	50	0.0	-68.55	399.75	4.38	-64.17
C[NH+](C)CCOCC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863533	0	52	0.0	-60.42	417.27	3.99	-56.43
CCCCC[N@H+](C)CCC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863539	0	60	0.0	-65.25	467.64	6.58	-58.67
CCCCC[N@@H+](C)CCC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863539	1	60	0.0	-66.05	466.23	6.40	-59.65
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028863548	0	56	0.0	-66.03	436.93	4.72	-61.31
C=CCC(C)(C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028863555	0	55	0.0	-59.21	404.32	5.02	-54.19
C[S+](C)CCC(O)C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863560	0	51	0.0	-63.61	423.07	2.36	-61.25
C[N@@H+]1CC(O)CC1(C)C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863587	0	53	0.0	-59.76	398.69	0.45	-59.31
CN1CC[N@H+](C)CC(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028863599	0	57	0.0	-63.84	428.17	2.67	-61.17
CN1CC[N@@H+](C)CC(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028863599	1	57	0.0	-63.84	428.17	2.67	-61.17
CC(C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300028863600	0	56	0.0	-59.50	429.58	1.93	-57.57
C[N@@H+]1CCCC(O)(CC(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028863619	0	56	0.0	-64.31	419.21	3.36	-60.95
C[N@H+]1CCCC(O)(CC(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028863619	1	56	0.0	-64.31	419.21	3.36	-60.95
CC1CN(CC(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028863622	0	49	0.0	-62.48	391.70	4.36	-58.12
CC1C[NH+](CC(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028863622	1	49	0.0	-62.48	391.70	4.36	-58.12
CN(CCO)CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863649	0	49	0.0	-63.58	389.69	0.29	-63.29
C[N@H+](CCO)CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863649	1	49	0.0	-62.94	389.95	0.26	-62.68
C[N@@H+](CCO)CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863649	1	49	0.0	-62.94	389.95	0.26	-62.68
O=C(N[C@@H]1CN(C(=O)C2C[N@@H+]3CCN2CCC3)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028863672	0	55	0.0	-66.33	405.08	2.47	-63.86
O=C(N[C@@H]1CN(C(=O)C2C[N@H+]3CCN2CCC3)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028863672	1	55	0.0	-66.33	405.08	2.47	-63.86
CC[N@@H+]1CCCC(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028863678	0	55	0.0	-60.30	423.61	5.04	-55.26
CC[N@H+]1CCCC(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028863678	1	55	0.0	-60.30	423.61	5.04	-55.26
CC(CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300028863680	0	54	0.0	-66.21	418.79	4.90	-61.31
CC[N@H+](C)CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863693	0	48	0.0	-62.86	379.34	3.53	-59.33
O=C(N[C@@H]1CN(C(=O)C23CCC[N@@H+]2CCCC3)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028863721	0	56	0.0	-56.50	410.62	4.61	-51.89
O=C(N[C@@H]1CN(C(=O)C23CCC[N@H+]2CCCC3)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028863721	1	56	0.0	-56.50	410.62	4.61	-51.89
O=C(N[C@@H]1CN(C(=O)C23CCC[N@@H+]2CC=CC3)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028863728	0	54	0.0	-57.79	405.25	4.62	-53.17
O=C(N[C@@H]1CN(C(=O)C23CCC[N@H+]2CC=CC3)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028863728	1	54	0.0	-57.79	405.25	4.62	-53.17
CC[N@H+](CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028863749	0	52	0.0	-60.35	407.96	4.84	-55.51
CC[NH+](CC)CCC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863767	0	54	0.0	-63.76	418.89	5.05	-58.71
CC1(C)CN(CC(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028863792	0	52	0.0	-62.67	412.21	4.48	-58.19
CC1(C)C[NH+](CC(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028863792	1	52	0.0	-62.67	412.21	4.48	-58.19
CC1(O)CC[N@H+](CC(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028863820	0	53	0.0	-62.71	417.57	1.29	-61.42
C[NH+](C)CC=CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863827	0	49	0.0	-68.14	397.62	4.11	-64.03
CC(OCC[NH+](C)C)C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863849	0	55	0.0	-63.38	432.61	4.76	-58.62
C[NH+](C)CCOCCC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863858	0	55	0.0	-64.27	437.77	3.92	-60.35
COCC[N@H+](C)CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863859	1	52	0.0	-62.92	412.19	2.66	-60.26
COCC[N@@H+](C)CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863859	1	52	0.0	-63.59	411.94	2.70	-60.89
C[NH+](C)C1(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300028863895	0	55	0.0	-60.00	402.58	4.38	-55.62
CC(CCC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028863898	0	54	0.0	-64.77	418.23	4.85	-59.92
CC[N@@H+]1CCC1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863907	1	49	0.0	-61.21	382.27	3.46	-57.75
CC[N@H+]1CCC1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863907	1	49	0.0	-60.07	384.90	3.78	-56.29
CC(C)[N@@H+]1CCCC(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028863917	0	58	0.0	-58.60	431.81	6.03	-52.57
CC(C)[N@H+]1CCCC(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028863917	1	58	0.0	-60.89	441.34	5.61	-55.28
O=C(C[N@H+]1CCCC1CO)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863930	0	53	0.0	-58.53	407.94	1.46	-57.07
O=C(C[N@@H+]1CCCC1CO)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863930	1	53	0.0	-60.95	416.15	1.31	-59.64
O=C(N[C@@H]1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028863952	0	56	0.0	-59.66	427.78	5.54	-54.12
O=C(N[C@@H]1CN(C(=O)C2CC3CCCC[N@H+]3C2)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028863952	1	56	0.0	-63.29	426.97	5.38	-57.91
C[NH+]1CCC(C)(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028863958	0	55	0.0	-62.11	409.16	4.56	-57.55
C[NH+](C)CC1=CNC(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300028863964	0	53	0.0	-66.99	424.74	4.23	-62.76
CC(C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300028863980	0	56	0.0	-62.35	432.95	1.90	-60.45
C=CCC(C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028863988	0	52	0.0	-59.12	403.65	4.30	-54.82
C[N@@H+]1CC(C)(C)CC1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864001	0	55	0.0	-60.58	419.98	4.82	-55.76
C[N@H+]1CC(C)(C)CC1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864001	1	55	0.0	-60.90	421.41	4.57	-56.33
C[NH+](C)CCCCCC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864005	0	57	0.0	-65.30	448.99	5.85	-59.45
O=C(C[NH+]1CC2CC2C1)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864013	0	50	0.0	-60.36	397.47	4.79	-55.57
CC1C[N@@H+]2CCN1C(C(=O)N1C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028864040	0	55	0.0	-64.84	403.70	3.74	-61.10
CC1C[N@H+]2CCN1C(C(=O)N1C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028864040	1	55	0.0	-65.27	410.31	1.90	-63.37
CCCC(C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028864041	0	54	0.0	-61.34	411.73	4.89	-56.45
C[NH+](C)C(C)(C)C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864045	0	51	0.0	-61.94	382.89	3.75	-58.19
C[N@@H+]1CCCCC1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864087	0	52	0.0	-59.30	403.07	4.45	-54.85
C[N@H+]1CCCCC1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864087	1	52	0.0	-61.03	401.24	4.53	-56.50
C[N@H+]1CC=C(CC(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028864127	0	53	0.0	-65.60	420.85	5.34	-60.26
C[N@@H+]1CC=C(CC(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028864127	1	53	0.0	-64.90	421.34	5.20	-59.70
O=C(CC1([NH+]2CCCC2)CC1)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864136	0	56	0.0	-60.85	427.09	5.87	-54.98
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028864185	1	52	0.0	-60.08	422.62	4.67	-55.41
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300028864190	0	54	0.0	-66.93	431.44	4.52	-62.41
O=C(C=CC[NH+]1CCCC1)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864202	0	53	0.0	-65.94	421.82	5.15	-60.79
O=C(N[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028864226	0	56	0.0	-77.24	435.61	5.81	-71.43
C[NH+](C)C1(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028864247	0	49	0.0	-58.22	385.29	3.51	-54.71
O=C(CC[NH+]1CCCC1)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864249	0	52	0.0	-64.11	409.93	4.63	-59.48
O=C(N[C@@H]1CN(C(=O)C2C[NH+]3CCN2CC3)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028864287	0	52	0.0	-68.25	395.72	1.07	-67.18
C[N@@H+]1CC2CC1(C(=O)N1C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028864297	0	50	0.0	-78.27	389.75	3.99	-74.28
C[N@H+]1CC2CC1(C(=O)N1C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028864297	1	50	0.0	-58.92	387.48	4.11	-54.81
O=C(C[N@@H+]1CC2CCC1C2)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864311	0	53	0.0	-60.41	408.29	4.96	-55.45
O=C(C[N@H+]1CC2CCC1C2)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864311	1	53	0.0	-59.18	406.28	4.80	-54.38
O=C(C=C1C[NH+]2CCC1CC2)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864352	0	54	0.0	-64.66	416.88	5.27	-59.39
O=C(C[N@@H+]1CC2C=CC1C2)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864362	1	51	0.0	-59.62	400.68	4.85	-54.77
O=C(C[N@H+]1CC2C=CC1C2)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864362	1	51	0.0	-59.14	401.06	4.77	-54.37
CC[NH+]1CCN(CC(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028864394	0	57	0.0	-62.62	438.17	3.04	-59.58
CC(C[NH+](C)C)C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864414	0	51	0.0	-61.66	400.46	4.02	-57.64
C[N@@H+]1CCCCC1CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864492	0	55	0.0	-64.23	420.87	5.41	-58.82
C[N@H+]1CCCCC1CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864492	1	55	0.0	-58.94	414.64	4.89	-54.05
CC1=C2C=C(C(=O)N3C[C@@H](C4CC4)[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300028864508	1	50	0.0	-64.90	418.54	6.85	-58.05
CC(C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300028864509	0	52	0.0	-58.72	406.92	4.28	-54.44
CC1CC[N@@H+]1CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864512	1	49	0.0	-61.01	388.49	3.61	-57.40
CC1CC[N@H+]1CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864512	1	49	0.0	-58.47	393.40	3.97	-54.50
C[NH+](C)CC(O)CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864517	0	52	0.0	-66.50	414.74	1.99	-64.51
CC1C[N@H+](C)CC(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028864545	1	53	0.0	-87.86	410.25	3.87	-83.99
CC1C[N@@H+](C)CC(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028864545	1	53	0.0	-80.46	409.03	3.66	-76.80
O=C(CC[NH+]1CCC(O)CC1)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864554	0	56	0.0	-67.62	436.74	1.96	-65.66
CCC[N@@H+]1CCCCC1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864556	0	58	0.0	-60.52	433.70	5.64	-54.88
CCC[N@H+]1CCCCC1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864556	1	58	0.0	-59.42	430.41	5.33	-54.09
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028864635	0	52	0.0	-65.31	410.93	4.59	-60.72
CC(CC[NH+](C)C)C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864643	0	54	0.0	-61.87	418.27	4.53	-57.34
C[N@H+](CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300028864664	0	56	0.0	-58.56	432.68	2.31	-56.25
C[N@@H+](CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300028864664	1	56	0.0	-61.44	434.01	2.25	-59.19
C#CC[N@H+]1CCCCC1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864673	1	54	0.0	-56.28	427.92	5.66	-50.62
C#CC[N@@H+]1CCCCC1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864673	1	54	0.0	-57.78	416.23	5.20	-52.58
C[NH+]1CCN(CC(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028864676	1	54	0.0	-64.21	420.41	2.37	-61.84
CC[NH+]1CCN(CC(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028864685	0	57	0.0	-62.62	438.17	3.04	-59.58
NC(=[NH2+])SCC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864711	0	43	0.0	-61.54	370.66	-0.18	-61.72
CC[N@@H+]1CCOCC1CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864748	0	56	0.0	-62.11	426.11	3.25	-58.86
C[NH+](C)C1CCC(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028864764	0	58	0.0	-66.71	436.59	5.44	-61.27
C[NH+](C)CCC1(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028864765	0	55	0.0	-67.17	434.43	5.22	-61.95
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028864767	0	58	0.0	-71.07	430.70	5.31	-65.76
C[N@@H+]1CC=CCC1CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864768	0	53	0.0	-58.49	407.82	5.23	-53.26
C[N@H+]1CC=CCC1CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864768	1	53	0.0	-58.49	407.82	5.23	-53.26
C[C@@H](OCC[NH+](C)C)C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864791	0	55	0.0	-64.32	434.09	4.47	-59.85
C[NH+]1C2CCC1CC(C(=O)N1C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028864819	0	56	0.0	-60.68	398.61	5.01	-55.67
CC(C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300028864929	1	53	0.0	-61.00	419.74	4.84	-56.16
CCC1C[NH+](CC(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028864931	0	52	0.0	-63.46	414.27	4.72	-58.74
O=C(N[C@@H]1CN(C(=O)C2([NH+]3CCCC3)CCC2)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028864933	0	56	0.0	-56.73	415.14	5.02	-51.71
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864942	0	49	0.0	-58.72	383.33	3.67	-55.05
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864942	1	49	0.0	-61.54	379.90	3.39	-58.15
O=C(CC[N@H+]1CCC(F)C1)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864949	0	52	0.0	-67.35	415.85	5.05	-62.30
O=C(CC[N@@H+]1CCC(F)C1)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864949	1	52	0.0	-67.59	415.67	4.96	-62.63
COC1C[N@H+](C)C(C)(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028864957	0	56	0.0	-60.81	422.81	2.88	-57.93
COC1C[N@@H+](C)C(C)(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028864957	1	56	0.0	-57.01	422.61	3.21	-53.80
O=C(CC[NH+]1CCCCCC1)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864966	0	58	0.0	-65.44	435.60	5.52	-59.92
O=C(C[NH+]1CCCCC1)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864968	0	52	0.0	-61.92	404.60	4.67	-57.25
CC1C(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028864978	0	52	0.0	-60.41	404.55	4.13	-56.28
CC1C(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028864978	1	52	0.0	-62.29	404.25	4.27	-58.02
C[N@@H+]1CCCCC1CCC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864980	0	58	0.0	-64.71	435.58	5.62	-59.09
C[N@H+]1CCCCC1CCC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864980	1	58	0.0	-61.82	443.49	5.85	-55.97
O=C(N[C@@H]1CN(C(=O)C2CC[N@@H+]3CCOCC23)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028865010	0	54	0.0	-61.37	414.80	3.23	-58.14
O=C(N[C@@H]1CN(C(=O)C2CC[N@H+]3CCOCC23)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028865010	1	54	0.0	-60.63	414.21	3.10	-57.53
CC1=[NH+]C=C2C=CC(C(=O)N3C[C@@H](C4CC4)[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300028865015	0	50	0.0	-61.64	417.96	6.05	-55.59
C[N@@H+]1CCOCC1CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028865032	1	53	0.0	-60.52	405.21	2.54	-57.98
C[N@H+]1CCOCC1CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028865032	1	53	0.0	-58.51	405.25	2.61	-55.90
CC1=C(C)[NH+]=C(CCC(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300028865040	1	53	0.0	-59.23	431.23	4.41	-54.82
C[N@@H+]1CCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028865212	0	49	0.0	-69.97	384.58	3.69	-66.28
C[N@H+]1CCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028865212	1	49	0.0	-71.38	384.19	3.80	-67.58
C[N@@H+]1CCOC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C1	REAL300028865238	1	50	0.0	-79.32	388.97	3.35	-75.97
C[N@H+]1CCOC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C1	REAL300028865238	1	50	0.0	-91.33	395.75	3.23	-88.10
CC1=[NH+]C=CN1CCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028865400	1	53	0.0	-72.24	429.38	5.68	-66.56
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C=C1	REAL300028865405	0	55	0.0	-77.60	436.89	6.56	-71.04
O=C(CC[NH+]1CCOCC1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028865406	1	53	0.0	-79.89	413.65	2.77	-77.12
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C12CCC[NH+]1CCC2	REAL300028865431	0	53	0.0	-78.58	403.05	4.77	-73.81
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CC2=C[NH+]=CN2C=C1	REAL300028865441	1	47	0.0	-75.39	390.45	6.42	-68.97
C[NH+](C)C1CCCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C1	REAL300028865501	0	58	0.0	-60.98	431.50	5.46	-55.52
C[N@@H+]1CCC(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C1	REAL300028865504	0	52	0.0	-70.57	405.71	4.62	-65.95
C[N@H+]1CCC(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C1	REAL300028865504	1	52	0.0	-76.23	405.19	4.33	-71.90
CN(C)C1=CC=[NH+]C=C1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028865516	0	51	0.0	-85.16	409.69	3.55	-81.61
CCC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)[NH+](C)C	REAL300028865521	0	51	0.0	-69.87	391.40	4.23	-65.64
C[NH+](C)CCCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028865588	0	54	0.0	-68.83	424.56	4.96	-63.87
CC(C)C(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)[NH+](C)C	REAL300028865610	0	54	0.0	-67.47	406.35	4.48	-62.99
CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028865612	0	54	0.0	-71.55	420.30	5.01	-66.54
CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028865612	1	54	0.0	-71.34	420.30	5.02	-66.32
CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028865618	0	51	0.0	-69.02	397.98	4.49	-64.53
CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028865618	1	51	0.0	-69.26	397.98	4.49	-64.77
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C12CC[N@H+](C1)CCC2	REAL300028865642	0	53	0.0	-69.55	400.30	4.27	-65.28
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C12CC[N@@H+](C1)CCC2	REAL300028865642	1	53	0.0	-77.17	400.67	3.98	-73.19
CCCCCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028865678	0	60	0.0	-70.20	462.48	6.83	-63.37
CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028865678	1	60	0.0	-70.49	462.47	6.84	-63.65
CC[NH+](CC)C(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C(C)C	REAL300028865683	0	60	0.0	-70.54	438.29	6.18	-64.36
CC1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)CC1	REAL300028865716	0	55	0.0	-76.21	420.97	5.24	-70.97
C[NH+]1CCC(OCC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)CC1	REAL300028865744	0	56	0.0	-75.84	438.63	5.14	-70.70
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1CC2CCCC[N@@H+]2C1	REAL300028865789	0	56	0.0	-75.89	425.97	5.52	-70.37
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1CC2CCCC[N@H+]2C1	REAL300028865789	1	56	0.0	-73.69	426.05	5.63	-68.06
C[NH+](C)CC1(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)CC1	REAL300028865800	0	52	0.0	-87.19	403.21	4.50	-82.69
CC1=[NH+]C=C2CCC(C(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C3CC3)CN21	REAL300028865801	1	54	0.0	-58.16	426.50	5.53	-52.63
CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)CC1	REAL300028865812	0	58	0.0	-70.08	437.61	5.91	-64.17
CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028865837	0	51	0.0	-70.85	398.80	4.27	-66.58
CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028865837	1	51	0.0	-70.66	400.11	4.12	-66.54
CC(C)(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)[NH+]1CCCCC1	REAL300028865863	0	58	0.0	-76.27	427.73	5.73	-70.54
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1C[NH+]2CCC1CC2	REAL300028865873	0	53	0.0	-85.99	399.58	4.57	-81.42
C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)CC1	REAL300028865953	0	52	0.0	-62.72	402.60	4.42	-58.30
CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)[NH+](C)C	REAL300028865971	0	54	0.0	-63.87	405.28	4.65	-59.22
CC[NH+](CC)CC(F)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028866066	0	54	0.0	-56.60	419.94	4.67	-51.93
CC(C)C[N@@H+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C1	REAL300028866101	0	58	0.0	-73.80	442.69	5.78	-68.02
CC(C)C[N@H+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C1	REAL300028866101	1	58	0.0	-75.78	444.35	5.73	-70.05
C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)CCC1	REAL300028866105	0	52	0.0	-68.56	392.97	4.25	-64.31
CCC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)[NH+](CC)CC	REAL300028866136	0	57	0.0	-59.90	425.45	5.17	-54.73
CC1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028866156	0	52	0.0	-70.28	397.66	4.12	-66.16
CC1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028866156	1	52	0.0	-65.48	397.42	4.45	-61.03
CC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)[NH+]1CCCCCC1	REAL300028866226	0	58	0.0	-70.27	427.92	5.19	-65.08
CC(C)[N@@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028866228	0	58	0.0	-69.19	425.37	5.34	-63.85
CC(C)[N@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028866228	1	58	0.0	-61.47	431.92	5.55	-55.92
CC(C)[N@@H+]1CCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028866249	0	55	0.0	-64.83	405.78	5.03	-59.80
CC(C)[N@H+]1CCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028866249	1	55	0.0	-63.87	417.10	5.11	-58.76
CC(C)[N@@H+]1CCCC1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028866255	0	58	0.0	-64.99	430.24	5.19	-59.80
CC(C)[N@H+]1CCCC1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028866255	1	58	0.0	-61.93	430.41	4.80	-57.13
CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)[NH+](C)C	REAL300028866270	0	54	0.0	-70.21	403.09	4.61	-65.60
CC1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C1	REAL300028866291	0	52	0.0	-74.95	403.98	4.51	-70.44
CC1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C1	REAL300028866291	1	52	0.0	-74.30	403.73	4.44	-69.86
CC1=[NH+]C=C2CC(C(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C3CC3)CCN21	REAL300028866293	1	54	0.0	-69.47	427.97	5.80	-63.67
CC1(C)CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C1	REAL300028866296	0	55	0.0	-71.20	423.76	5.15	-66.05
CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C1	REAL300028866296	1	55	0.0	-68.78	424.28	5.31	-63.47
C[N@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)CC(C)(C)C	REAL300028866297	0	57	0.0	-68.47	428.37	5.57	-62.90
C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)CC(C)(C)C	REAL300028866297	1	57	0.0	-69.29	428.88	5.65	-63.64
CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)[NH+](C)C	REAL300028866306	0	51	0.0	-64.26	389.82	3.79	-60.47
CN(CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CC=[NH+]C=C1	REAL300028866433	0	54	0.0	-71.44	432.83	4.41	-67.03
CC1=[NH+]C=CN1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028866517	1	47	0.0	-56.24	387.40	4.36	-51.88
CC(C[NH+]1CCOCC1)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028866519	0	56	0.0	-63.95	430.12	3.54	-60.41
O=C(CCC[NH+]1CCCCC1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028866536	0	58	0.0	-75.93	443.88	6.00	-69.93
C[NH+](C)CC1=CC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)=NO1	REAL300028866554	1	51	0.0	-78.90	418.02	3.76	-75.14
CC1=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C=CC2=C[NH+]=CN21	REAL300028866555	0	50	0.0	-62.82	410.29	6.53	-56.29
CC(C)C1=[NH+]C=CN1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028866590	1	53	0.0	-64.18	424.47	5.79	-58.39
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1CCCC2CCC[N@@H+]21	REAL300028866626	0	56	0.0	-72.52	415.06	5.34	-67.18
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1CCCC2CCC[N@H+]21	REAL300028866626	1	56	0.0	-59.98	412.10	5.22	-54.76
CC[N@@H+]1CCOC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C1	REAL300028866648	1	53	0.0	-82.25	406.93	3.67	-78.58
CC[N@H+]1CCOC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C1	REAL300028866648	1	53	0.0	-76.72	414.34	3.89	-72.83
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CN2C=[NH+]C=C2C=C1	REAL300028866701	0	47	0.0	-70.42	390.18	6.42	-64.00
CC1=C[NH+]=CN1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028866706	1	47	0.0	-63.21	387.76	5.10	-58.11
C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)CC[N@@H+]1C	REAL300028866722	0	52	0.0	-81.45	394.46	3.72	-77.73
C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)CC[N@H+]1C	REAL300028866722	1	52	0.0	-69.43	397.78	4.04	-65.39
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)CC[N@@H+]1C	REAL300028866727	0	55	0.0	-78.36	415.78	4.45	-73.91
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)CC[N@H+]1C	REAL300028866727	1	55	0.0	-67.59	420.22	5.01	-62.58
CC1CCC(C)[NH+]1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028866740	0	55	0.0	-71.84	415.12	4.63	-67.21
O=C(CCC[NH+]1CCCC1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028866746	0	55	0.0	-72.44	427.36	5.40	-67.04
C[NH+](C)CC1=CC=CC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)=C1	REAL300028866747	0	55	0.0	-76.14	436.54	6.26	-69.88
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)CC1	REAL300028866753	0	54	0.0	-65.90	427.74	5.61	-60.29
O=C(CC[NH+]1CCCCC1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028866754	0	55	0.0	-76.22	421.92	5.16	-71.06
C[NH+](C)CC1=CC=CC=C1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028866758	0	55	0.0	-62.87	428.97	6.56	-56.31
CC[N@@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028866762	0	55	0.0	-72.19	418.15	5.02	-67.17
CC[N@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028866762	1	55	0.0	-67.57	409.03	5.15	-62.42
C[NH+](C)C(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CC=CC=C1	REAL300028866765	1	55	0.0	-63.12	433.49	6.57	-56.55
O=C(CN1C=[NH+]C2=C1CCCC2)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028866770	1	54	0.0	-69.97	430.35	7.15	-62.82
C[NH+](C)C1(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)CCCC1	REAL300028866806	0	58	0.0	-73.20	423.12	5.55	-67.65
C[N@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1CCC1	REAL300028866971	0	52	0.0	-66.35	404.97	5.06	-61.29
C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1CCC1	REAL300028866971	1	52	0.0	-67.63	404.87	5.07	-62.56
CC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)[NH+]1C(C)CCC1C	REAL300028866996	0	58	0.0	-70.95	431.15	5.12	-65.83
O=C(CCCC[NH+]1CCCC1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028867009	0	58	0.0	-76.39	449.70	6.09	-70.30
C[N@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)CC1=CC=CC=C1	REAL300028867011	1	55	0.0	-75.69	436.45	6.29	-69.40
C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)CC1=CC=CC=C1	REAL300028867011	1	55	0.0	-73.92	435.41	6.65	-67.27
C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)CC1	REAL300028867022	0	52	0.0	-62.72	402.60	4.42	-58.30
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028867067	0	49	0.0	-64.66	378.65	3.60	-61.06
C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028867067	1	49	0.0	-64.81	385.25	4.08	-60.73
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028867091	1	51	0.0	-74.98	405.04	4.52	-70.46
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028867091	1	51	0.0	-72.10	411.43	5.04	-67.06
C[N@@H+]1CCCC1CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028867097	0	55	0.0	-67.93	420.62	5.08	-62.85
C[N@H+]1CCCC1CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028867097	1	55	0.0	-66.67	421.23	4.84	-61.83
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C12CCC[NH+](CCC1)C2	REAL300028867108	0	56	0.0	-74.87	415.80	4.98	-69.89
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1CCC2CCCC[N@@H+]21	REAL300028867115	0	56	0.0	-63.27	425.06	5.98	-57.29
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1CCC2CCCC[N@H+]21	REAL300028867115	1	56	0.0	-64.74	426.23	5.95	-58.79
CCC[N@@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C1	REAL300028867188	0	58	0.0	-58.07	436.67	6.02	-52.05
CCC[N@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C1	REAL300028867188	1	58	0.0	-75.02	442.15	5.79	-69.23
CC(C)[N@@H+]1CCOC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C1	REAL300028867205	1	56	0.0	-73.97	430.68	4.70	-69.27
CC(C)[N@H+]1CCOC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C1	REAL300028867205	1	56	0.0	-79.44	430.63	4.69	-74.75
C[N@@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028867236	0	52	0.0	-70.07	389.70	4.09	-65.98
C[N@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028867236	1	52	0.0	-58.14	401.16	4.40	-53.74
CC(C)C[N@@H+]1CCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028867260	0	58	0.0	-70.90	443.82	5.94	-64.96
CC(C)C[N@H+]1CCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028867260	1	58	0.0	-73.89	437.86	5.40	-68.49
O=C(C[NH+]1CCC(CO)CC1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028867275	1	56	0.0	-75.41	432.32	1.93	-73.48
CC1C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)CC[N@@H+]1C	REAL300028867321	0	52	0.0	-77.03	398.56	3.90	-73.13
CC1C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)CC[N@H+]1C	REAL300028867321	1	52	0.0	-61.08	400.49	4.00	-57.08
C[N@@H+]1CCCCC1CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028867323	0	58	0.0	-78.73	432.36	5.50	-73.23
C[N@H+]1CCCCC1CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028867323	1	58	0.0	-67.21	440.08	6.00	-61.21
NC1=[NH+]C2=C(C=C1C(=O)N[C@@H]1CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]1C1CC1)CCC2	REAL300028867355	1	52	0.0	-66.77	411.80	4.00	-62.77
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028867419	0	55	0.0	-66.79	404.45	3.88	-62.91
CC(C)(C)[N@H+]1CCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028867419	1	55	0.0	-72.79	420.34	4.52	-68.27
C[C@@H](C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)[NH+](C)C	REAL300028867438	0	48	0.0	-69.23	376.82	3.45	-65.78
C[NH+](C)CC1=CC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)=CC=N1	REAL300028867452	1	54	0.0	-73.64	432.56	4.80	-68.84
C=CCC(C)(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)[NH+](C)C	REAL300028867456	0	55	0.0	-82.75	413.14	4.99	-77.76
O=C(CC[NH+]1CCCC1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028867481	0	52	0.0	-73.14	405.85	4.59	-68.55
C[N@H+](CCO)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028867491	1	49	0.0	-70.79	386.83	0.50	-70.29
C[N@@H+](CCO)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028867491	1	49	0.0	-68.69	386.61	0.51	-68.18
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1C[N@@H+]2CCN1CCC2	REAL300028867529	0	55	0.0	-78.66	406.01	2.58	-76.08
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1C[N@H+]2CCN1CCC2	REAL300028867529	1	55	0.0	-85.38	405.23	2.54	-82.84
CC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)[NH+]1CCSCC1	REAL300028867551	1	53	0.0	-68.83	417.71	5.04	-63.79
C[N@H+]1CC=C(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)CC1	REAL300028867591	0	53	0.0	-69.74	417.15	5.32	-64.42
C[N@@H+]1CC=C(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)CC1	REAL300028867591	1	53	0.0	-66.26	417.88	5.41	-60.85
C[S+](C)CCC(O)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028867606	0	51	0.0	-75.52	424.02	2.46	-73.06
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028867625	0	53	0.0	-70.07	403.26	1.10	-68.97
C[N@H+]1CC(O)CC1(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028867625	1	53	0.0	-85.51	406.11	0.84	-84.67
CN1CC[N@H+](C)CC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C1	REAL300028867638	0	57	0.0	-72.35	428.53	2.95	-69.40
CN1CC[N@@H+](C)CC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C1	REAL300028867638	1	57	0.0	-73.45	427.23	2.33	-71.12
CC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)[N@@H+]1CCCC(O)C1	REAL300028867639	0	56	0.0	-65.03	428.17	1.91	-63.12
CC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)[N@H+]1CCCC(O)C1	REAL300028867639	1	56	0.0	-60.87	429.07	1.66	-59.21
NC1=[NH+]C=C2CCCC2=C1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028867666	0	52	0.0	-71.56	418.97	3.57	-67.99
C[N@@H+]1CCCC(O)(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C1	REAL300028867672	0	56	0.0	-68.27	426.23	3.49	-64.78
C[N@H+]1CCCC(O)(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C1	REAL300028867672	1	56	0.0	-71.85	416.30	3.14	-68.71
CC1C[NH+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C1	REAL300028867677	1	49	0.0	-76.44	388.52	3.91	-72.53
CC[N@@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C1	REAL300028867684	0	55	0.0	-73.71	420.63	5.05	-68.66
CC[N@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C1	REAL300028867684	1	55	0.0	-69.00	422.37	5.18	-63.82
NC1=[NH+]C=CC=C1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028867690	0	48	0.0	-55.35	392.25	2.56	-52.79
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1CCC[N@@H+]1C1CC1	REAL300028867703	0	53	0.0	-67.02	415.73	5.38	-61.64
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1CCC[N@H+]1C1CC1	REAL300028867703	1	53	0.0	-68.80	411.34	5.10	-63.70
O=C(C=CC[NH+]1CCCC1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028867746	0	53	0.0	-75.90	419.67	5.23	-70.67
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1CC[NH+](C2CC2)CC1	REAL300028867769	0	56	0.0	-77.51	432.30	5.84	-71.67
CC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028867816	0	48	0.0	-68.91	376.48	3.74	-65.17
O=C(C[N@@H+]1CC2C=CC1C2)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028867876	1	51	0.0	-62.87	398.49	4.81	-58.06
O=C(C[N@H+]1CC2C=CC1C2)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028867876	1	51	0.0	-70.22	397.98	4.62	-65.60
CC1=CC=C(NCCC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)[NH+]=C1	REAL300028867898	1	54	0.0	-71.65	437.25	4.17	-67.48
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1C[NH+]2CCN1CC2	REAL300028867959	0	52	0.0	-86.38	395.27	1.22	-85.16
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C12CCC[N@@H+]1CCCC2	REAL300028868004	0	56	0.0	-68.84	409.46	5.18	-63.66
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C12CCC[N@H+]1CCCC2	REAL300028868004	1	56	0.0	-65.15	413.93	5.54	-59.61
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C12CCC[N@@H+]1CC=CC2	REAL300028868013	0	54	0.0	-65.43	404.21	5.53	-59.90
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C12CCC[N@H+]1CC=CC2	REAL300028868013	1	54	0.0	-67.07	406.68	5.08	-61.99
CC(OCC[NH+](C)C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028868024	0	55	0.0	-63.60	434.32	4.80	-58.80
C[NH+](C)CCOCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028868034	0	55	0.0	-71.43	435.53	3.85	-67.58
COCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028868036	1	52	0.0	-68.16	408.86	2.91	-65.25
COCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028868036	1	52	0.0	-71.05	409.09	2.91	-68.14
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1C[NH+](C2CCOC2)C1	REAL300028868037	0	54	0.0	-62.67	424.62	3.15	-59.52
CC(CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)[NH+](C)C	REAL300028868042	0	54	0.0	-68.43	417.37	4.66	-63.77
C[NH+]1CCC(=CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)CC1	REAL300028868061	0	53	0.0	-62.74	412.38	5.07	-57.67
CC[N@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1CC1	REAL300028868069	0	52	0.0	-60.68	408.47	4.87	-55.81
CC[N@@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1CC1	REAL300028868069	1	52	0.0	-65.56	403.50	4.82	-60.74
CC1C[N@@H+]2CCN1C(C(=O)N[C@@H]1CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]1C1CC1)C2	REAL300028868085	0	55	0.0	-71.70	398.68	1.83	-69.87
CC1C[N@H+]2CCN1C(C(=O)N[C@@H]1CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]1C1CC1)C2	REAL300028868085	1	55	0.0	-65.25	399.00	2.18	-63.07
C[N@@H+]1CC2CC1(C(=O)N[C@@H]1CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]1C1CC1)C2	REAL300028868110	0	50	0.0	-63.37	391.44	3.95	-59.42
C[N@H+]1CC2CC1(C(=O)N[C@@H]1CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]1C1CC1)C2	REAL300028868110	1	50	0.0	-80.21	390.23	3.80	-76.41
CC1=[NH+]C(N)=CC=C1C=CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028868120	1	52	0.0	-75.35	423.38	3.45	-71.90
O=C(C[N@@H+]1CC2CCC1C2)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028868127	0	53	0.0	-68.33	402.08	4.88	-63.45
O=C(C[N@H+]1CC2CCC1C2)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028868127	1	53	0.0	-67.31	403.08	4.98	-62.33
CC(C[NH+](C)C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028868149	0	51	0.0	-67.30	397.64	4.08	-63.22
C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)CC1	REAL300028868166	0	49	0.0	-78.49	384.72	3.76	-74.73
C[C@H](C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)[NH+](C)C	REAL300028868192	0	48	0.0	-65.49	378.27	3.32	-62.17
CC[N@@H+]1CCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028868201	1	49	0.0	-60.08	389.67	3.74	-56.34
CC[N@H+]1CCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028868201	1	49	0.0	-68.36	390.35	4.08	-64.28
CC(C)[N@@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C1	REAL300028868214	0	58	0.0	-73.10	437.28	5.56	-67.54
CC(C)[N@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C1	REAL300028868214	1	58	0.0	-67.93	431.03	5.76	-62.17
CCC(C)(C)[NH2+]C(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028868229	0	57	0.0	-71.27	420.85	3.47	-67.80
CNC1=[NH+]C(C)=CC=C1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028868274	1	51	0.0	-68.13	408.28	3.82	-64.31
NC1=CC=[NH+]C=C1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028868275	0	45	0.0	-77.95	367.44	1.22	-76.73
CCCC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)[NH+](C)C	REAL300028868284	0	54	0.0	-68.41	414.30	4.74	-63.67
C[NH+](C)C(C)(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028868291	0	51	0.0	-80.36	385.86	3.91	-76.45
CC(CC[NH+](C)C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028868310	0	54	0.0	-75.42	418.42	4.67	-70.75
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C12CC(C1)C[N@@H+]2C1CC1	REAL300028868381	0	54	0.0	-77.79	410.28	5.56	-72.23
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C12CC(C1)C[N@H+]2C1CC1	REAL300028868381	1	54	0.0	-57.83	402.42	5.75	-52.08
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028868420	0	55	0.0	-65.70	424.53	5.12	-60.58
C[N@H+]1CC(C)(C)CC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028868420	1	55	0.0	-64.62	418.36	5.02	-59.60
C[NH+](C)CCCCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028868425	0	57	0.0	-68.94	446.06	5.75	-63.19
O=C(CC[NH+]1CCC(O)CC1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028868429	0	56	0.0	-76.04	433.64	2.01	-74.03
CCC[N@@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028868433	0	58	0.0	-67.35	440.02	6.05	-61.30
CCC[N@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028868433	1	58	0.0	-66.83	439.36	5.99	-60.84
C[NH+]1CCN(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)CC1	REAL300028868443	1	54	0.0	-70.86	417.72	2.56	-68.30
CC1C[N@H+](C)CC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)O1	REAL300028868545	1	53	0.0	-75.96	409.87	3.80	-72.16
CC1C[N@@H+](C)CC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)O1	REAL300028868545	1	53	0.0	-78.58	417.28	4.24	-74.34
CCC1CCC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C1	REAL300028868578	0	58	0.0	-71.57	440.79	5.81	-65.76
CCC1CCC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C1	REAL300028868578	1	58	0.0	-75.90	439.37	5.89	-70.01
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)N1	REAL300028868587	0	53	0.0	-79.72	425.39	4.50	-75.22
O=C(C[NH+]1CC2CC2C1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028868602	0	50	0.0	-75.73	393.74	4.64	-71.09
O=C(CC1([NH+]2CCCC2)CC1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028868615	0	56	0.0	-66.80	424.67	5.78	-61.02
C[N@@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028868654	0	52	0.0	-70.07	389.70	4.09	-65.98
C[N@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028868654	1	52	0.0	-58.14	401.16	4.40	-53.74
C[N@@H+]1CCC(=CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C1	REAL300028868777	0	50	0.0	-72.57	396.60	4.63	-67.94
C[N@H+]1CCC(=CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C1	REAL300028868777	1	50	0.0	-77.98	396.29	4.34	-73.64
O=C(CNC1=CC=[NH+]C=C1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028868782	0	48	0.0	-62.92	393.72	2.02	-60.90
CC[NH+]1CCN(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)CC1	REAL300028868839	0	57	0.0	-69.28	435.46	3.24	-66.04
O=C(C=C1C[NH+]2CCC1CC2)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028868842	0	54	0.0	-67.71	414.87	5.20	-62.51
C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)CCCC1	REAL300028868880	0	55	0.0	-82.06	410.17	4.95	-77.11
C[N@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)[C@@H]1CCC[C@H]1O	REAL300028868891	0	56	0.0	-70.16	429.86	1.93	-68.23
C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)[C@@H]1CCC[C@H]1O	REAL300028868891	1	56	0.0	-71.16	429.51	2.11	-69.05
CCC1C[NH+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C1	REAL300028868897	1	52	0.0	-76.39	411.07	4.65	-71.74
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1([NH+]2CCCC2)CCC1	REAL300028868901	0	56	0.0	-63.24	422.21	5.69	-57.55
C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028868915	0	49	0.0	-66.05	384.62	4.10	-61.95
C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028868915	1	49	0.0	-71.39	378.74	3.60	-67.79
CC[N@@H+]1CCOCC1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028868946	0	56	0.0	-64.75	422.91	3.11	-61.64
NC1=NC2=CC(C(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C3CC3)=CC=C2N1	REAL300028869036	0	49	0.0	-75.56	403.12	4.02	-71.54
NC1=[NH+]C2=CC(C(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C3CC3)=CC=C2N1	REAL300028869036	1	49	0.0	-75.56	403.12	4.02	-71.54
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C1	REAL300028869074	0	52	0.0	-61.62	408.74	4.53	-57.09
C[NH+](C)C1CCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)CC1	REAL300028869089	0	58	0.0	-65.85	437.00	5.61	-60.24
C[NH+](C)CCC1(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)CC1	REAL300028869090	0	55	0.0	-73.77	433.72	5.30	-68.47
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)CC1	REAL300028869092	0	58	0.0	-45.66	431.15	5.48	-40.18
C[N@@H+]1CC=CCC1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028869093	0	53	0.0	-69.82	410.38	4.84	-64.98
C[N@H+]1CC=CCC1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028869093	1	53	0.0	-69.82	410.38	4.84	-64.98
CC1=CC(C=CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)=CN=C1N	REAL300028869143	0	52	0.0	-79.70	423.57	3.75	-75.95
CC1=CC(C=CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)=C[NH+]=C1N	REAL300028869143	1	52	0.0	-79.70	423.57	3.75	-75.95
C[NH+](C)CCOCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028869156	0	52	0.0	-67.26	414.61	4.14	-63.12
CCCCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028869162	0	60	0.0	-67.81	463.79	6.35	-61.46
CCCCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028869162	1	60	0.0	-67.81	463.79	6.35	-61.46
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)O1	REAL300028869174	0	56	0.0	-69.58	437.41	5.03	-64.55
[NH2+]=C1SC=CN1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028869199	0	45	0.0	-66.23	385.78	3.25	-62.98
C[C@@H](OCC[NH+](C)C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028869273	0	55	0.0	-63.79	434.43	4.82	-58.97
O=C(CC[NH+]1CCCCCC1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028869317	0	58	0.0	-76.93	432.84	5.76	-71.17
O=C(C[NH+]1CCCCC1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028869321	0	52	0.0	-68.71	400.48	4.94	-63.77
C[N@@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C1	REAL300028869323	0	52	0.0	-74.05	403.46	4.37	-69.68
C[N@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C1	REAL300028869323	1	52	0.0	-67.37	403.77	4.41	-62.96
O=C(C[NH+]1CCC(CO)CC1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028869324	1	56	0.0	-75.41	432.32	1.93	-73.48
O=C(C[NH+]1CCCCCC1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028869327	0	55	0.0	-74.15	409.38	4.80	-69.35
CN1C=C[N+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)=C1	REAL300028869332	0	47	0.0	-67.75	389.94	6.57	-61.18
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)O1	REAL300028869350	1	52	0.0	-83.09	423.42	4.55	-78.54
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C=N1	REAL300028869356	0	54	0.0	-80.86	432.90	4.77	-76.09
O=C(C[NH+]1CCC(O)CC1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028869370	1	53	0.0	-78.48	411.70	1.28	-77.20
C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1CC1	REAL300028869375	1	49	0.0	-69.62	387.93	4.31	-65.31
CC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)N1CC[NH+](C)CC1	REAL300028869377	1	57	0.0	-68.88	433.39	2.74	-66.14
O=C(CC[N@@H+]1CCC(F)C1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028869380	1	52	0.0	-81.17	412.45	4.52	-76.65
COC1C[N@@H+](C)C(C)(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C1	REAL300028869391	1	56	0.0	-54.32	424.16	3.35	-50.97
CC(CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C[NH+](C)C	REAL300028869411	0	54	0.0	-72.20	415.81	5.04	-67.16
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1CC[N@@H+]2CCOCC12	REAL300028869427	0	54	0.0	-58.86	411.73	3.03	-55.83
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1CC[N@H+]2CCOCC12	REAL300028869427	1	54	0.0	-71.62	410.10	2.93	-68.69
CC1=[NH+]C=C2C=CC(C(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C3CC3)=CN21	REAL300028869432	0	50	0.0	-66.91	410.29	6.34	-60.57
CN1CCOCC1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028869449	0	53	0.0	-82.76	409.52	2.55	-80.21
C[N@@H+]1CCOCC1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028869449	1	53	0.0	-82.57	409.00	2.57	-80.00
C[N@H+]1CCOCC1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028869449	1	53	0.0	-82.76	409.52	2.55	-80.21
CC[NH+]1CCN(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)CC1	REAL300028869457	0	57	0.0	-69.28	435.46	3.24	-66.04
CC1=CC(N)=[NH+]C=C1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028869512	1	48	0.0	-80.31	387.57	2.49	-77.82
NC1=CC=C(CCC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C=[NH+]1	REAL300028869515	0	51	0.0	-75.76	417.40	3.27	-72.49
CC1(O)CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C1	REAL300028869556	1	53	0.0	-63.30	415.10	1.22	-62.08
C[NH+]1CC(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C1	REAL300028869591	0	49	0.0	-71.73	391.30	3.73	-68.00
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1CC[N@H+]1C1CCCC1	REAL300028869596	1	56	0.0	-64.03	429.76	5.59	-58.44
C[NH+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028869604	0	45	0.0	-74.03	358.89	2.76	-71.27
C[N@H+](CCO)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028869633	0	52	0.0	-69.68	409.15	1.05	-68.63
C[N@@H+](CCO)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028869633	1	52	0.0	-70.64	410.44	0.88	-69.76
C[C@@H](C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)[NH+](C)C	REAL300028869634	0	48	0.0	-69.23	376.82	3.45	-65.78
C[N@@H+]1CCCCC1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028869656	0	55	0.0	-71.40	417.94	5.26	-66.14
C[N@H+]1CCCCC1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028869656	1	55	0.0	-58.59	410.45	5.12	-53.47
CC1=C2C=C(C(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C3CC3)C=CN2C=[NH+]1	REAL300028869678	1	50	0.0	-73.60	412.36	6.99	-66.61
CC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)[NH+]1CC(C)C1	REAL300028869679	1	52	0.0	-70.46	407.53	4.37	-66.09
CC1CCN1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028869683	0	49	0.0	-68.68	390.12	4.17	-64.51
CC1CC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028869683	1	49	0.0	-73.53	389.75	3.88	-69.65
CC1CC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028869683	1	49	0.0	-68.68	390.12	4.17	-64.51
C[NH+](C)CC=CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028869697	0	49	0.0	-80.23	394.35	3.99	-76.24
CC1=C(C)[NH+]=C(CCC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)N1	REAL300028869729	1	53	0.0	-60.76	429.43	4.11	-56.65
CC1=C2C=C(C(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C3CC3)C=CN2C=[NH+]1	REAL300028869740	1	50	0.0	-73.60	412.36	6.99	-66.61
C[NH+](C)CCSCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028869750	0	52	0.0	-75.51	425.64	5.02	-70.49
O=C(C[N@@H+]1CCCC1CO)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028869776	1	53	0.0	-70.66	404.30	1.35	-69.31
CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028869780	0	51	0.0	-73.84	389.99	3.84	-70.00
C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1CCSC1	REAL300028869791	1	53	0.0	-74.80	418.00	5.30	-69.50
CC[NH+](CC)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028869844	0	54	0.0	-65.47	412.80	4.46	-61.01
C[NH+](C)CC1=CNC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)=C1	REAL300028869911	0	53	0.0	-75.52	425.13	4.40	-71.12
CC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)[NH+]1CCC(O)CC1	REAL300028869930	1	56	0.0	-68.81	422.09	1.90	-66.91
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1CC2COCC[N@@H+]2C1	REAL300028869936	0	54	0.0	-71.71	418.23	3.07	-68.64
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1CC2COCC[N@H+]2C1	REAL300028869936	1	54	0.0	-63.51	416.67	3.11	-60.40
CC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)[NH+]1CCC1	REAL300028869951	1	49	0.0	-61.35	387.04	3.85	-57.50
CCC(CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C[NH+](C)C	REAL300028869958	0	57	0.0	-70.70	430.22	5.53	-65.17
NC1=CC=C(C=CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C=[NH+]1	REAL300028869965	0	49	0.0	-80.57	405.78	2.99	-77.58
C[NH+](C)CC(C)(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028869966	0	54	0.0	-75.30	405.61	4.43	-70.87
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028870030	0	52	0.0	-61.19	390.27	4.17	-57.02
C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028870030	1	52	0.0	-68.38	400.85	4.34	-64.04
CC1CN2CC[N@@H+]1CC2C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028870045	0	55	0.0	-78.75	409.65	1.95	-76.80
CC1CN2CC[N@H+]1CC2C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028870045	1	55	0.0	-54.06	411.68	1.78	-52.28
C[NH+](C)CC(O)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028870066	0	52	0.0	-69.92	411.97	1.80	-68.12
C[NH+]1C2CCC1CC(C(=O)N[C@@H]1CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]1C1CC1)C2	REAL300028870069	0	56	0.0	-67.34	396.57	5.29	-62.05
C=CCC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)[NH+](C)C	REAL300028870102	0	52	0.0	-66.71	402.19	4.57	-62.14
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1CC2CCCC[N@@H+]2C1	REAL300028870112	0	56	0.0	-75.89	425.97	5.52	-70.37
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1CC2CCCC[N@H+]2C1	REAL300028870112	1	56	0.0	-73.69	426.05	5.63	-68.06
C[NH+]1CCC(C)(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)CC1	REAL300028870123	0	55	0.0	-73.45	415.96	5.14	-68.31
C[NH+]1CCC(O)(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)CC1	REAL300028870125	0	56	0.0	-61.38	428.71	3.07	-58.31
CC1=C2C=C(C(=O)N3C[C@@H](C4CC4)[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300028870207	1	50	0.0	-64.90	418.54	6.85	-58.05
C[NH+](C)CCSCC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028870216	0	52	0.0	-65.57	428.28	4.85	-60.72
O=C(N[C@@H]1CN(C(=O)C2CC3COCC[N@@H+]3C2)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028870224	0	54	0.0	-62.91	415.45	3.25	-59.66
O=C(N[C@@H]1CN(C(=O)C2CC3COCC[N@H+]3C2)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028870224	1	54	0.0	-60.88	416.04	3.09	-57.79
C[N@@H+]1CCCC1C(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028870388	0	52	0.0	-64.38	389.22	3.79	-60.59
C[N@H+]1CCCC1C(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028870388	1	52	0.0	-50.72	378.68	4.93	-45.79
CC(C)[N@@H+]1CCCC1C(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028870568	0	58	0.0	-64.73	420.94	4.78	-59.95
CC(C)[N@H+]1CCCC1C(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028870568	1	58	0.0	-64.16	422.27	4.81	-59.35
CC1=[NH+]C=CN1CC(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028870601	1	50	0.0	-63.46	394.38	4.47	-58.99
O=C(NC1CC2(C1)CCCCN2C(=O)C1C[NH+]2CCC1CC2)C1=CC(=O)[N-]O1	REAL300028870629	0	56	0.0	-74.59	393.89	5.77	-68.82
C[C@@H]1[C@H](C(=O)N2CCCCC23CC(NC(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300028870663	0	55	0.0	-68.85	397.77	4.21	-64.64
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CC[N@H+]1CCCC(C(=O)N2CCCCC23CC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028871935	1	58	0.0	-66.85	426.07	5.01	-61.84
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CC[N@H+](CC(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300028871975	0	55	0.0	-48.65	399.66	6.04	-42.61
CC[NH+](CC)CCC(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028871985	0	57	0.0	-70.36	422.31	4.83	-65.53
CC1(C)CN(CC(=O)N2CCCCC23CC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028872003	0	55	0.0	-69.39	415.54	4.48	-64.91
CC1(C)C[NH+](CC(=O)N2CCCCC23CC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028872003	1	55	0.0	-69.39	415.54	4.48	-64.91
CC1(O)CC[N@H+](CC(=O)N2CCCCC23CC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028872021	0	56	0.0	-69.02	421.11	1.35	-67.67
C[NH+](C)CC=CC(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872025	0	52	0.0	-75.16	399.88	4.09	-71.07
CC(OCC[NH+](C)C)C(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872034	0	58	0.0	-48.91	425.51	5.42	-43.49
C[NH+](C)CCOCCC(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872040	0	58	0.0	-71.70	441.77	3.70	-68.00
COCCN(C)CC(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872041	0	55	0.0	-52.40	405.81	4.23	-48.17
COCC[N@H+](C)CC(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872041	1	55	0.0	-54.73	398.41	3.79	-50.94
COCC[N@@H+](C)CC(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872041	1	55	0.0	-54.73	398.41	3.79	-50.94
C[NH+](C)C1(C(=O)N2CCCCC23CC(NC(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300028872061	0	58	0.0	-57.37	388.12	5.12	-52.25
CC(CCC(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028872063	0	57	0.0	-68.67	421.74	4.65	-64.02
CCN1CCC1C(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872069	0	52	0.0	-66.48	387.62	3.58	-62.90
CC[N@@H+]1CCC1C(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872069	1	52	0.0	-68.65	395.22	3.79	-64.86
CC[N@H+]1CCC1C(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872069	1	52	0.0	-68.65	395.22	3.79	-64.86
O=C(C[N@H+]1CCCC1CO)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872082	0	56	0.0	-65.13	410.42	1.49	-63.64
C[NH+]1CCC(C)(C(=O)N2CCCCC23CC(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028872104	0	58	0.0	-66.15	413.28	4.35	-61.80
C=CCC(C(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028872123	0	55	0.0	-64.79	405.26	4.22	-60.57
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872130	0	58	0.0	-64.76	426.97	4.85	-59.91
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872130	1	58	0.0	-64.76	426.97	4.85	-59.91
C[NH+](C)CCCCCC(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872132	0	60	0.0	-71.92	451.80	5.82	-66.10
CCCC(C(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028872153	0	57	0.0	-69.50	416.23	4.68	-64.82
C[NH+](C)C(C)(C)C(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872156	0	54	0.0	-72.92	385.53	3.32	-69.60
C[N@@H+]1CCCCC1C(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872182	0	55	0.0	-66.80	404.42	4.46	-62.34
C[N@H+]1CC=C(CC(=O)N2CCCCC23CC(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028872206	0	56	0.0	-48.87	409.47	6.39	-42.48
C[N@@H+]1CC=C(CC(=O)N2CCCCC23CC(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028872206	1	56	0.0	-48.87	409.47	6.39	-42.48
O=C(C=CC[NH+]1CCCC1)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872246	0	56	0.0	-73.83	426.21	5.29	-68.54
O=C(CC[NH+]1CCCC1)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872279	0	55	0.0	-59.19	403.10	5.74	-53.45
C[N@@H+]1CC2CC1(C(=O)N1CCCCC13CC(NC(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300028872308	0	53	0.0	-68.52	392.12	3.95	-64.57
O=C(C[N@@H+]1CC2CCC1C2)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872315	0	56	0.0	-49.68	398.94	6.08	-43.60
O=C(C[N@H+]1CC2CCC1C2)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872315	1	56	0.0	-49.68	398.94	6.08	-43.60
O=C(CN1CC2C=CC1C2)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872355	0	54	0.0	-67.13	404.56	4.85	-62.28
O=C(C[N@@H+]1CC2C=CC1C2)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872355	1	54	0.0	-67.63	404.06	4.81	-62.82
O=C(C[N@H+]1CC2C=CC1C2)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872355	1	54	0.0	-67.63	404.06	4.81	-62.82
CC(C[NH+](C)C)C(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872387	0	54	0.0	-71.86	401.15	3.91	-67.95
C[N@@H+]1CCCCC1CC(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872437	0	58	0.0	-72.95	424.20	5.09	-67.86
C[N@H+]1CCCCC1CC(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872437	1	58	0.0	-72.95	424.20	5.09	-67.86
CC1CCN1CC(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872449	0	52	0.0	-52.76	383.40	5.05	-47.71
CC1CC[N@@H+]1CC(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872449	1	52	0.0	-68.18	396.29	3.94	-64.24
CC1CC[N@H+]1CC(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872449	1	52	0.0	-68.18	396.29	3.94	-64.24
C[NH+](C)CC(O)CC(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872452	0	55	0.0	-55.28	409.08	2.98	-52.30
CC1CN(C)CC(C(=O)N2CCCCC23CC(NC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300028872472	0	56	0.0	-80.50	404.92	4.61	-75.89
CC1C[N@H+](C)CC(C(=O)N2CCCCC23CC(NC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300028872472	1	56	0.0	-69.36	397.45	4.76	-64.60
CC1C[N@@H+](C)CC(C(=O)N2CCCCC23CC(NC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300028872472	1	56	0.0	-69.36	397.45	4.76	-64.60
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCCC23CC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028872519	0	55	0.0	-61.32	407.12	5.80	-55.52
CC(CC[NH+](C)C)C(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872525	0	57	0.0	-71.51	422.82	4.54	-66.97
CN1CCN(CC(=O)N2CCCCC23CC(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028872544	0	57	0.0	-69.29	423.96	2.36	-66.93
C[NH+]1CCN(CC(=O)N2CCCCC23CC(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028872544	1	57	0.0	-69.29	423.96	2.36	-66.93
NC(=[NH2+])SCC(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872568	0	46	0.0	-72.62	373.47	-0.18	-72.80
C[NH+](C)CCC1(C(=O)N2CCCCC23CC(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028872597	0	58	0.0	-69.55	437.04	5.22	-64.33
C[N@@H+]1CC=CCC1CC(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872598	0	56	0.0	-58.95	411.19	4.91	-54.04
C[N@H+]1CC=CCC1CC(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872598	1	56	0.0	-58.95	411.19	4.91	-54.04
C[C@@H](OCC[NH+](C)C)C(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872611	0	58	0.0	-63.69	437.28	4.27	-59.42
CCC1C[NH+](CC(=O)N2CCCCC23CC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028872697	0	55	0.0	-58.48	400.67	5.64	-52.84
C[N@@H+]1CCC[C@H]1C(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872702	0	52	0.0	-55.69	375.58	5.23	-50.46
C[N@H+]1CCC[C@H]1C(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872702	1	52	0.0	-49.50	366.79	4.43	-45.07
O=C(CC[N@@H+]1CCC(F)C1)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872708	1	55	0.0	-76.44	419.57	4.72	-71.72
O=C(C[NH+]1CCCCC1)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872721	0	55	0.0	-68.82	406.67	4.72	-64.10
CC1C(C(=O)N2CCCCC23CC(NC(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300028872727	0	55	0.0	-75.95	400.39	3.93	-72.02
CC1C(C(=O)N2CCCCC23CC(NC(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300028872727	1	55	0.0	-70.52	403.91	4.44	-66.08
CN1CCOCC1CC(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872756	0	56	0.0	-61.32	408.06	2.57	-58.75
C[N@@H+]1CCOCC1CC(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872756	1	56	0.0	-53.63	379.90	3.04	-50.59
C[N@H+]1CCOCC1CC(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872756	1	56	0.0	-61.32	408.06	2.57	-58.75
C[N@@H+]1CCCC1C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028872927	0	52	0.0	-47.24	375.27	4.87	-42.37
C[N@H+]1CCCC1C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028872927	1	52	0.0	-48.11	375.76	4.38	-43.73
C[N@@H+]1CCOC(C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028872953	1	53	0.0	-57.05	391.73	4.46	-52.59
C[N@H+]1CCOC(C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028872953	1	53	0.0	-90.72	398.75	3.16	-87.56
O=C(CC[NH+]1CCOCC1)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028873106	1	56	0.0	-48.97	410.70	3.85	-45.12
O=C(NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+]1CCC2	REAL300028873118	0	56	0.0	-79.84	406.63	4.62	-75.22
O=C(NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)C1=CC2=C[NH+]=CN2C=C1	REAL300028873124	1	50	0.0	-82.03	392.43	6.15	-75.88
C[N@@H+]1CCC(CC(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028873155	0	55	0.0	-78.07	408.16	4.26	-73.81
C[N@H+]1CCC(CC(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028873155	1	55	0.0	-76.51	408.32	4.26	-72.25
CN(C)C1=CC=[NH+]C=C1C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028873161	0	54	0.0	-84.00	412.71	3.45	-80.55
CCC(C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028873163	0	54	0.0	-45.74	383.90	4.99	-40.75
C[NH+](C)CCCCC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028873201	0	57	0.0	-55.96	420.82	5.97	-49.99
CC(C)C(C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028873217	0	57	0.0	-41.54	404.67	5.59	-35.95
CCC[N@H+](C)CCC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028873218	0	57	0.0	-76.65	423.57	4.59	-72.06
CCC[N@@H+](C)CCC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028873218	1	57	0.0	-48.35	417.05	5.79	-42.56
CCC[N@H+](C)CC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028873222	0	54	0.0	-72.33	401.20	4.05	-68.28
CCC[N@@H+](C)CC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028873222	1	54	0.0	-72.30	401.18	4.04	-68.26
O=C(NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)C12CC[N@H+](C1)CCC2	REAL300028873237	0	56	0.0	-84.69	403.30	3.93	-80.76
O=C(NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)C12CC[N@@H+](C1)CCC2	REAL300028873237	1	56	0.0	-51.98	389.11	4.77	-47.21
CC1CC[NH+](CC(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028873270	0	58	0.0	-73.82	424.31	5.18	-68.64
C[NH+](C)CC1(C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028873311	0	55	0.0	-53.29	390.17	5.74	-47.55
CC[N@H+](C)CCC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028873330	0	54	0.0	-47.69	395.56	5.04	-42.65
CC[N@@H+](C)CCC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028873330	1	54	0.0	-75.95	402.07	3.85	-72.10
O=C(NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCC1CC2	REAL300028873348	0	56	0.0	-83.59	403.19	4.46	-79.13
C[NH+]1CCC(C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028873397	0	55	0.0	-81.74	406.53	4.29	-77.45
CC(C)[C@H](C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028873413	0	57	0.0	-69.80	407.06	4.29	-65.51
CC[NH+](CC)CC(F)C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028873473	0	57	0.0	-40.89	418.80	5.82	-35.07
C[NH+](C)C1(C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300028873494	0	55	0.0	-81.60	398.84	4.08	-77.52
CCC(C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300028873522	0	60	0.0	-43.08	417.17	6.01	-37.07
CC1CCC[N@@H+]1CC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028873533	0	55	0.0	-42.21	401.46	5.53	-36.68
CC1CCC[N@H+]1CC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028873533	1	55	0.0	-70.35	406.64	4.52	-65.83
CC(C)[N@@H+]1CCCC1C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028873579	0	58	0.0	-72.00	413.62	4.87	-67.13
CC(C)[N@H+]1CCCC1C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028873579	1	58	0.0	-69.20	420.32	4.87	-64.33
CC(C)[C@@H](C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028873588	0	57	0.0	-41.08	402.49	5.81	-35.27
CC1CC[N@H+](CC(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028873602	0	55	0.0	-71.94	407.18	4.38	-67.56
CC1CC[N@@H+](CC(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028873602	1	55	0.0	-46.01	399.63	5.75	-40.26
CC1(C)CC[N@H+](CC(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028873606	0	58	0.0	-71.97	427.18	4.87	-67.10
CC1(C)CC[N@@H+](CC(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028873606	1	58	0.0	-45.26	419.97	6.12	-39.14
C[N@H+](CC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300028873607	0	60	0.0	-72.40	429.18	5.05	-67.35
C[N@@H+](CC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300028873607	1	60	0.0	-72.70	431.49	5.28	-67.42
CC[C@@H](C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028873615	0	54	0.0	-68.38	389.72	3.89	-64.49
CC1=[NH+]C=CN1CC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028873736	1	50	0.0	-69.36	391.40	4.25	-65.11
CC[N@@H+]1CCOC(C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028873800	1	56	0.0	-39.91	393.38	4.59	-35.32
CC[N@H+]1CCOC(C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028873800	1	56	0.0	-77.45	409.43	3.63	-73.82
O=C(NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)C1=CN2C=[NH+]C=C2C=C1	REAL300028873830	0	50	0.0	-75.39	392.16	6.17	-69.22
CC1=C[NH+]=CN1CC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028873833	1	50	0.0	-72.48	390.69	4.93	-67.55
C[C@@H]1[C@H](C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028873840	0	55	0.0	-52.82	393.09	4.96	-47.86
C[C@@H]1[C@H](C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028873840	1	55	0.0	-79.32	404.24	3.99	-75.33
CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028873842	0	58	0.0	-54.91	410.91	5.71	-49.20
CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028873842	1	58	0.0	-76.56	423.86	4.67	-71.89
CC1CCC(C)[NH+]1CC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028873849	0	58	0.0	-68.74	418.65	4.55	-64.19
O=C(CCC[NH+]1CCCC1)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028873852	0	58	0.0	-51.74	425.29	6.37	-45.37
O=C(CC[NH+]1CCCCC1)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028873856	0	58	0.0	-74.97	425.52	5.05	-69.92
CC[N@@H+]1CCCCC1C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028873859	0	58	0.0	-42.74	413.91	6.25	-36.49
CC[N@H+]1CCCCC1C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028873859	1	58	0.0	-43.75	395.76	5.56	-38.19
C[N@H+](CC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300028873957	0	55	0.0	-69.89	408.05	4.61	-65.28
C[N@@H+](CC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300028873957	1	55	0.0	-46.77	400.64	6.02	-40.75
C[NH+]1CCC(C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028873988	0	55	0.0	-81.74	406.53	4.29	-77.45
C[N@@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874018	0	52	0.0	-72.95	381.83	3.25	-69.70
C[N@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874018	1	52	0.0	-69.65	388.34	3.70	-65.95
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874036	1	54	0.0	-44.51	402.04	5.62	-38.89
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874036	1	54	0.0	-45.64	395.61	5.99	-39.65
C[N@@H+]1CCCC1CCC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874041	0	58	0.0	-77.07	428.89	5.25	-71.82
C[N@H+]1CCCC1CCC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874041	1	58	0.0	-73.35	423.29	4.67	-68.68
C[N@@H+]1CCCCC1C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874115	0	55	0.0	-48.63	378.94	5.13	-43.50
C[N@H+]1CCCCC1C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874115	1	55	0.0	-70.12	403.90	4.27	-65.85
CC1C(C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028874173	0	55	0.0	-53.94	395.61	5.22	-48.72
CC1C(C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028874173	1	55	0.0	-73.87	407.55	4.24	-69.63
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874229	0	58	0.0	-71.13	423.63	4.44	-66.69
CC(C)(C)[N@H+]1CCC1C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874229	1	58	0.0	-43.19	416.67	5.56	-37.63
C[C@@H](C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028874243	0	51	0.0	-43.94	373.40	4.33	-39.61
C=CCC(C)(C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028874257	0	58	0.0	-34.28	385.61	5.56	-28.72
O=C(CC[NH+]1CCCC1)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874274	0	55	0.0	-47.25	403.79	5.57	-41.68
C[N@H+](CCO)CC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874283	1	52	0.0	-73.68	390.03	0.06	-73.62
C[N@@H+](CCO)CC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874283	1	52	0.0	-73.47	389.89	0.16	-73.31
C[N@H+]1CC=C(CC(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028874341	0	56	0.0	-59.96	413.50	6.33	-53.63
C[N@@H+]1CC=C(CC(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028874341	1	56	0.0	-56.53	414.62	6.08	-50.45
C[S+](C)CCC(O)C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874351	0	54	0.0	-54.47	420.30	3.48	-50.99
C[N@@H+]1CC(O)CC1(C)C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874364	0	56	0.0	-80.48	410.14	0.68	-79.80
C[N@H+]1CC(O)CC1(C)C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874364	1	56	0.0	-82.78	409.39	1.01	-81.77
CC1C[NH+](CC(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028874394	1	52	0.0	-43.47	385.65	4.91	-38.56
CC[N@@H+]1CCCC(C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028874400	0	58	0.0	-73.50	424.23	4.92	-68.58
CC[N@H+]1CCCC(C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028874400	1	58	0.0	-50.72	407.08	5.97	-44.75
NC1=[NH+]C=CC=C1CC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874404	0	51	0.0	-68.43	396.22	2.43	-66.00
O=C(NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)C1CCC[N@@H+]1C1CC1	REAL300028874412	0	56	0.0	-71.35	414.89	4.68	-66.67
O=C(NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)C1CCC[N@H+]1C1CC1	REAL300028874412	1	56	0.0	-45.34	381.78	5.55	-39.79
O=C(C=CC[NH+]1CCCC1)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874442	0	56	0.0	-51.71	417.76	6.26	-45.45
CC[N@H+](C)CC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874487	0	51	0.0	-72.26	379.68	3.30	-68.96
O=C(CN1CC2C=CC1C2)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874522	0	54	0.0	-68.30	400.77	4.52	-63.78
O=C(C[N@@H+]1CC2C=CC1C2)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874522	1	54	0.0	-70.04	400.79	4.72	-65.32
O=C(C[N@H+]1CC2C=CC1C2)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874522	1	54	0.0	-70.04	400.79	4.72	-65.32
CC(OCC[NH+](C)C)C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874609	0	58	0.0	-55.05	431.09	5.59	-49.46
C[NH+](C)CCOCCC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874616	0	58	0.0	-51.95	432.28	4.63	-47.32
COCCN(C)CC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874618	0	55	0.0	-73.04	412.14	2.57	-70.47
COCC[N@H+](C)CC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874618	1	55	0.0	-73.90	412.28	2.46	-71.44
COCC[N@@H+](C)CC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874618	1	55	0.0	-73.90	412.28	2.46	-71.44
CC(CCC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028874621	0	57	0.0	-50.00	408.99	5.57	-44.43
CC[N@H+](CC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028874637	0	55	0.0	-43.48	401.29	5.87	-37.61
C[N@@H+]1CC2CC1(C(=O)NC1CC3(C1)CCCCN3C(=O)C1=CC(=O)[N-]O1)C2	REAL300028874664	0	53	0.0	-49.96	384.62	4.85	-45.11
O=C(C[N@@H+]1CC2CCC1C2)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874673	0	56	0.0	-70.72	408.35	4.74	-65.98
O=C(C[N@H+]1CC2CCC1C2)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874673	1	56	0.0	-70.72	408.35	4.74	-65.98
CC(C[NH+](C)C)C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874688	0	54	0.0	-50.13	384.00	4.86	-45.27
CCN1CCC1C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874725	0	52	0.0	-72.45	385.13	3.26	-69.19
CC[N@@H+]1CCC1C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874725	1	52	0.0	-43.61	381.14	4.65	-38.96
CC[N@H+]1CCC1C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874725	1	52	0.0	-43.61	381.14	4.65	-38.96
CCC(C)(C)[NH2+]C(C)C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874736	0	60	0.0	-45.34	417.88	4.41	-40.93
CNC1=NC(C)=CC=C1C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874763	0	54	0.0	-39.12	402.41	4.70	-34.42
CNC1=[NH+]C(C)=CC=C1C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874763	1	54	0.0	-39.12	402.41	4.70	-34.42
CCCC(C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028874772	0	57	0.0	-44.36	410.38	6.21	-38.15
C[NH+](C)C(C)(C)C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874777	0	54	0.0	-80.44	389.43	3.80	-76.64
CC(CC[NH+](C)C)C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874791	0	57	0.0	-54.69	405.63	5.48	-49.21
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874853	0	58	0.0	-42.97	421.48	5.86	-37.11
C[N@H+]1CC(C)(C)CC1C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874853	1	58	0.0	-45.43	420.06	6.24	-39.19
C[NH+](C)CCCCCC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874855	0	60	0.0	-59.13	442.32	6.75	-52.38
C[NH+]1CCN(CC(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028874862	1	57	0.0	-74.35	421.01	2.16	-72.19
CC1C[N@H+](C)CC(C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)O1	REAL300028874915	1	56	0.0	-89.54	413.80	3.80	-85.74
CC1C[N@@H+](C)CC(C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)O1	REAL300028874915	1	56	0.0	-89.56	413.23	3.87	-85.69
O=C(C[NH+]1CC2CC2C1)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874946	0	53	0.0	-45.96	389.73	5.90	-40.06
C[N@@H+]1CCCCC1C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874973	0	55	0.0	-48.63	378.94	5.13	-43.50
C[N@H+]1CCCCC1C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874973	1	55	0.0	-70.12	403.90	4.27	-65.85
C[N@@H+]1CCC(=CC(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028875047	0	53	0.0	-77.66	399.76	4.22	-73.44
C[N@H+]1CCC(=CC(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028875047	1	53	0.0	-57.50	394.22	5.39	-52.11
O=C(CNC1=CC=[NH+]C=C1)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028875050	0	51	0.0	-49.42	391.17	3.10	-46.32
C[NH+](C)C1(C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300028875113	0	58	0.0	-82.75	411.93	5.01	-77.74
CCC1C[NH+](CC(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028875122	1	55	0.0	-44.49	408.23	5.62	-38.87
C[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028875132	0	52	0.0	-69.38	387.21	3.71	-65.67
C[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028875132	1	52	0.0	-73.22	381.42	3.27	-69.95
NC1=CC=C(CCC(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)C=[NH+]1	REAL300028875176	0	54	0.0	-50.90	414.47	4.34	-46.56
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028875227	0	55	0.0	-56.11	403.72	5.26	-50.85
C[NH+](C)CCC1(C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028875236	0	58	0.0	-64.25	427.84	6.54	-57.71
C[N@@H+]1CC=CCC1CC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028875237	0	56	0.0	-64.62	408.14	4.64	-59.98
C[N@H+]1CC=CCC1CC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028875237	1	56	0.0	-62.13	408.13	4.62	-57.51
C[NH+](C)CCOCC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028875273	0	55	0.0	-56.11	411.13	4.89	-51.22
[NH2+]=C1SC=CN1CC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028875301	0	48	0.0	-68.82	389.05	2.82	-66.00
C[C@@H](OCC[NH+](C)C)C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028875343	0	58	0.0	-55.92	422.87	5.36	-50.56
C[N@@H+]1CCCC(C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028875373	0	55	0.0	-75.49	406.52	4.26	-71.23
C[N@H+]1CCCC(C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028875373	1	55	0.0	-75.49	406.52	4.26	-71.23
O=C(C[NH+]1CCCCCC1)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028875374	0	58	0.0	-45.40	406.54	5.88	-39.52
CN1C=C[N+](CC(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)=C1	REAL300028875378	0	50	0.0	-70.59	393.20	6.14	-64.45
O=C(CN1CCC(O)CC1)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028875401	0	56	0.0	-78.60	414.55	1.21	-77.39
O=C(C[NH+]1CCC(O)CC1)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028875401	1	56	0.0	-78.60	414.55	1.21	-77.39
C[N@H+](CC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028875403	0	52	0.0	-69.95	391.38	4.04	-65.91
O=C(CC[N@H+]1CCC(F)C1)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028875406	0	55	0.0	-47.29	407.50	5.26	-42.03
CC(CC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300028875427	0	57	0.0	-54.45	412.38	5.84	-48.61
CN1CCOCC1CC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028875446	0	56	0.0	-68.71	405.08	2.30	-66.41
C[N@@H+]1CCOCC1CC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028875446	1	56	0.0	-44.04	396.64	3.62	-40.42
C[N@H+]1CCOCC1CC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028875446	1	56	0.0	-44.04	396.64	3.62	-40.42
CC1=CC(N)=NC=C1C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028875486	0	51	0.0	-77.77	391.17	2.43	-75.34
CC1=CC(N)=[NH+]C=C1C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028875486	1	51	0.0	-77.77	391.17	2.43	-75.34
CC1(O)CC[N@H+](CC(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028875516	0	56	0.0	-46.59	411.29	2.27	-44.32
C[NH+]1CC(CC(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028875544	0	52	0.0	-75.38	393.41	3.46	-71.92
C[N@H+](CCO)CCC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028875574	0	55	0.0	-74.97	412.48	0.71	-74.26
C[N@@H+](CCO)CCC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028875574	1	55	0.0	-74.97	412.48	0.71	-74.26
C[N@@H+]1CCCCC1CC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028875592	0	58	0.0	-50.73	413.53	6.01	-44.72
C[N@H+]1CCCCC1CC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028875592	1	58	0.0	-50.73	413.53	6.01	-44.72
CC1CCN1CC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028875607	0	52	0.0	-46.31	380.16	4.84	-41.47
CC1CC[N@@H+]1CC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028875607	1	52	0.0	-71.87	393.28	3.71	-68.16
CC1CC[N@H+]1CC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028875607	1	52	0.0	-71.87	393.28	3.71	-68.16
C[NH+](C)CC=CC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028875615	0	52	0.0	-52.57	391.42	5.06	-47.51
CC1(C)CN(CC(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028875621	0	55	0.0	-73.27	412.56	4.28	-68.99
CC1(C)C[NH+](CC(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028875621	1	55	0.0	-73.27	412.56	4.28	-68.99
C[NH+](C)CCSCC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028875643	0	55	0.0	-57.50	422.35	5.76	-51.74
O=C(C[N@H+]1CCCC1CO)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028875662	0	56	0.0	-72.61	415.15	1.28	-71.33
CC[NH+](CC)CC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028875666	0	54	0.0	-43.46	386.80	4.93	-38.53
O=C(CN1CCC1)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028875675	0	49	0.0	-45.37	365.66	4.17	-41.20
O=C(C[NH+]1CCC1)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028875675	1	49	0.0	-45.37	365.66	4.17	-41.20
CC[NH+](CC)CCC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028875706	0	57	0.0	-46.61	412.64	5.74	-40.87
CC(C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)N1CCC1	REAL300028875765	0	52	0.0	-69.82	390.17	3.76	-66.06
CC(C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300028875765	1	52	0.0	-69.82	390.17	3.76	-66.06
CCC(CC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300028875770	0	60	0.0	-56.48	430.43	6.44	-50.04
C[NH+](C)CC(C)(C)C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028875776	0	57	0.0	-75.06	412.28	4.41	-70.65
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028875813	0	55	0.0	-47.68	391.12	5.32	-42.36
C[NH+](C)CC(O)CC(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028875837	0	55	0.0	-54.94	407.95	2.83	-52.11
C=CCC(C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028875859	0	55	0.0	-43.23	398.50	5.36	-37.87
C[NH+]1CCC(C)(C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028875872	0	58	0.0	-72.90	418.62	4.78	-68.12
C[NH+](C)CCSCC(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028875935	0	55	0.0	-62.98	424.45	6.14	-56.84
C[N@@H+]1CCCC1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028876099	0	52	0.0	-67.36	383.24	4.02	-63.34
C[N@H+]1CCCC1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028876099	1	52	0.0	-71.81	383.29	3.99	-67.82
C[N@@H+]1CCOC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028876123	1	53	0.0	-86.48	397.71	3.70	-82.78
C[N@H+]1CCOC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028876123	1	53	0.0	-86.47	397.70	3.70	-82.77
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028876279	0	58	0.0	-66.18	411.86	5.68	-60.50
CC(C)[N@H+]1CCCC1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028876279	1	58	0.0	-70.13	414.69	5.65	-64.48
CC1=[NH+]C=CN1CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028876312	1	50	0.0	-67.22	394.27	5.06	-62.16
O=C(NC1(C2CCN(C(=O)C3C[NH+]4CCC3CC4)CC2)CC1)C1=CC(=O)[N-]O1	REAL300028876340	0	56	0.0	-81.68	402.36	4.97	-76.71
C[C@@H]1[C@H](C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC[N@@H+]1C	REAL300028876374	0	55	0.0	-74.81	400.93	4.71	-70.10
C[C@@H]1[C@H](C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC[N@H+]1C	REAL300028876374	1	55	0.0	-76.09	406.77	4.71	-71.38
CC[C@@H]1[C@@H](C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC[N@@H+]1C	REAL300028876376	0	58	0.0	-72.35	417.83	4.97	-67.38
CC[C@@H]1[C@@H](C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC[N@H+]1C	REAL300028876376	1	58	0.0	-77.03	419.61	5.19	-71.84
CC[N@@H+]1CCOC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028876383	1	56	0.0	-81.72	416.41	4.38	-77.34
CC[N@H+]1CCOC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028876383	1	56	0.0	-75.67	404.21	4.06	-71.61
CC[NH+](CC)CC(F)C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028876411	0	57	0.0	-76.73	421.04	5.09	-71.64
CC1CCC(C)[NH+]1CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028876447	0	58	0.0	-71.38	417.45	5.32	-66.06
O=C(CCC[NH+]1CCCC1)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028876450	0	58	0.0	-72.27	433.06	5.92	-66.35
O=C(CC[NH+]1CCCCC1)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028876453	0	58	0.0	-76.54	424.33	5.79	-70.75
CC[N@@H+]1CCCCC1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028876456	0	58	0.0	-67.94	423.32	5.67	-62.27
CC[N@H+]1CCCCC1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028876456	1	58	0.0	-69.78	418.69	5.56	-64.22
C[NH+](C)C1(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCC1	REAL300028876467	0	55	0.0	-70.75	389.70	4.31	-66.44
CC(C)[C@@H](C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300028876474	0	57	0.0	-72.14	406.41	5.11	-67.03
C[N@H+](CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CCC1	REAL300028876499	0	55	0.0	-68.90	411.09	5.44	-63.46
C[N@@H+](CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CCC1	REAL300028876499	1	55	0.0	-69.90	411.00	5.42	-64.48
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028876575	1	54	0.0	-66.52	405.47	5.07	-61.45
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028876575	1	54	0.0	-68.73	413.29	5.55	-63.18
C[N@@H+]1CCCC1CCC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028876580	0	58	0.0	-76.94	432.26	6.01	-70.93
C[N@H+]1CCCC1CCC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028876580	1	58	0.0	-71.90	426.80	5.53	-66.37
C[NH+]1CCC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300028876600	0	55	0.0	-74.96	408.79	5.04	-69.92
C[N@@H+]1CCCCC1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028876639	0	55	0.0	-67.54	394.24	4.50	-63.04
C[N@H+]1CCCCC1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028876639	1	55	0.0	-68.49	394.24	4.56	-63.93
O=C(NC1(C2CCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)CC2)CC1)C1=CC(=O)[N-]O1	REAL300028876709	0	50	0.0	-67.59	397.94	6.76	-60.83
O=C(CC[NH+]1CCOCC1)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028876716	1	56	0.0	-76.51	420.13	3.52	-72.99
CC1=C[NH+]=CN1CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028876729	1	50	0.0	-71.78	394.63	5.80	-65.98
O=C(NC1(C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)CC1)C1=CC(=O)[N-]O1	REAL300028876750	0	56	0.0	-66.25	401.39	4.77	-61.48
C[N@@H+]1CCC(CC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028876761	0	55	0.0	-72.95	411.67	5.07	-67.88
C[N@H+]1CCC(CC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028876761	1	55	0.0	-73.43	411.19	5.13	-68.30
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028876767	0	54	0.0	-75.26	413.00	3.07	-72.19
CCC(C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300028876769	0	54	0.0	-68.90	395.02	4.48	-64.42
O=C(NC1(C2CCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)CC2)CC1)C1=CC(=O)[N-]O1	REAL300028876796	1	50	0.0	-79.01	393.82	6.63	-72.38
C[NH+](C)CCCCC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028876828	0	57	0.0	-74.66	430.23	5.63	-69.03
CC(C)C(C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300028876842	0	57	0.0	-73.02	405.22	4.97	-68.05
CCC[N@H+](C)CCC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028876843	0	57	0.0	-74.16	426.45	5.49	-68.67
CCC[N@@H+](C)CCC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028876843	1	57	0.0	-74.34	426.46	5.47	-68.87
CCC[N@H+](C)CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028876847	0	54	0.0	-71.45	404.11	4.86	-66.59
CCC[N@@H+](C)CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028876847	1	54	0.0	-71.62	404.11	4.87	-66.75
O=C(NC1(C2CCN(C(=O)C34CC[N@H+](C3)CCC4)CC2)CC1)C1=CC(=O)[N-]O1	REAL300028876862	0	56	0.0	-81.93	395.27	4.18	-77.75
O=C(NC1(C2CCN(C(=O)C34CC[N@@H+](C3)CCC4)CC2)CC1)C1=CC(=O)[N-]O1	REAL300028876862	1	56	0.0	-74.22	397.64	4.28	-69.94
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028876888	0	52	0.0	-67.37	383.23	4.01	-63.36
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028876888	1	52	0.0	-69.07	386.67	4.28	-64.79
CC[NH+](CC)CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028876923	0	54	0.0	-69.88	400.56	4.80	-65.08
CC1CC[NH+](CC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300028876984	0	58	0.0	-71.88	427.43	5.95	-65.93
C[NH+](C)CC1(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300028877006	0	55	0.0	-74.68	408.81	4.91	-69.77
C[NH+]1CCC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300028877059	0	55	0.0	-74.96	408.79	5.04	-69.92
CC(C)[C@H](C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300028877075	0	57	0.0	-71.25	401.16	4.72	-66.53
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CC1C[N@@H+](C)CC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)O1	REAL300028878183	1	56	0.0	-84.25	419.80	4.48	-79.77
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028878230	0	55	0.0	-76.90	409.58	5.05	-71.85
CC(CC[NH+](C)C)C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028878236	0	57	0.0	-75.39	424.89	5.25	-70.14
C[NH+]1CCN(CC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300028878255	1	57	0.0	-75.07	419.32	2.82	-72.25
NC(=[NH2+])SCC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028878279	0	46	0.0	-74.54	372.79	0.50	-74.04
C[NH+](C)CCC1(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300028878308	0	58	0.0	-76.59	431.31	5.65	-70.94
C[N@@H+]1CC=CCC1CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028878309	0	56	0.0	-69.18	406.51	5.36	-63.82
C[N@H+]1CC=CCC1CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028878309	1	56	0.0	-63.00	411.04	5.49	-57.51
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028878322	0	58	0.0	-71.87	431.52	4.86	-67.01
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028878413	0	52	0.0	-74.66	378.86	3.84	-70.82
C[N@H+]1CCC[C@H]1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028878413	1	52	0.0	-74.66	378.86	3.84	-70.82
O=C(CC[N@H+]1CCC(F)C1)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028878419	0	55	0.0	-82.48	415.16	5.19	-77.29
CC1C(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC[N@@H+]1C	REAL300028878438	0	55	0.0	-69.03	405.14	4.76	-64.27
CC1C(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC[N@H+]1C	REAL300028878438	1	55	0.0	-69.03	405.14	4.76	-64.27
CN1CCOCC1CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028878467	0	56	0.0	-74.80	415.44	3.32	-71.48
C[N@@H+]1CCOCC1CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028878467	1	56	0.0	-82.48	410.85	3.18	-79.30
C[N@H+]1CCOCC1CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028878467	1	56	0.0	-82.48	410.85	3.18	-79.30
C[N@@H+]1CCCC1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028878638	0	52	0.0	-62.37	387.92	4.38	-57.99
O=C(CCN1CCOCC1)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028878817	0	56	0.0	-68.89	417.28	3.35	-65.54
O=C(CC[NH+]1CCOCC1)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028878817	1	56	0.0	-68.89	417.28	3.35	-65.54
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C12CCC[NH+]1CCC2	REAL300028878829	0	56	0.0	-61.68	404.52	5.14	-56.54
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1=CC2=CN=CN2C=C1	REAL300028878835	0	50	0.0	-68.66	392.44	6.86	-61.80
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1=CC2=C[NH+]=CN2C=C1	REAL300028878835	1	50	0.0	-68.66	392.44	6.86	-61.80
C[N@@H+]1CCC(CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028878866	0	55	0.0	-70.92	404.23	4.74	-66.18
C[N@H+]1CCC(CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028878866	1	55	0.0	-67.40	408.95	4.92	-62.48
CN(C)C1=CC=[NH+]C=C1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028878872	0	54	0.0	-67.00	412.89	4.14	-62.86
CCC(C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300028878874	0	54	0.0	-66.59	395.80	4.43	-62.16
C[NH+](C)CCCCC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028878912	0	57	0.0	-70.21	427.36	5.48	-64.73
CC(C)C(C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300028878928	0	57	0.0	-62.65	410.27	5.43	-57.22
CCC[N@H+](C)CCC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028878929	0	57	0.0	-69.14	423.61	5.30	-63.84
CCC[N@@H+](C)CCC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028878929	1	57	0.0	-66.92	423.60	5.29	-61.63
CCC[N@H+](C)CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028878933	0	54	0.0	-69.63	396.67	4.58	-65.05
CCC[N@@H+](C)CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028878933	1	54	0.0	-69.72	396.68	4.58	-65.14
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C12CC[N@H+](C1)CCC2	REAL300028878948	0	56	0.0	-66.04	403.60	4.55	-61.49
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C12CC[N@@H+](C1)CCC2	REAL300028878948	1	56	0.0	-66.93	404.07	4.55	-62.38
CC1CC[NH+](CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300028878981	0	58	0.0	-67.19	424.58	5.82	-61.37
C[NH+](C)CC1(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300028879022	0	55	0.0	-63.36	409.28	4.99	-58.37
CC[N@H+](C)CCC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028879041	0	54	0.0	-70.86	397.55	4.39	-66.47
CC[N@@H+](C)CCC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028879041	1	54	0.0	-66.30	402.12	4.54	-61.76
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1C[NH+]2CCC1CC2	REAL300028879059	0	56	0.0	-67.41	403.18	5.13	-62.28
C[NH+]1CCC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300028879108	0	55	0.0	-71.88	402.04	4.83	-67.05
CC(C)[C@H](C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300028879124	0	57	0.0	-62.06	407.10	5.17	-56.89
CC[NH+](CC)CC(F)C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028879184	0	57	0.0	-70.60	418.38	4.91	-65.69
C[NH+](C)C1(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCC1	REAL300028879205	0	55	0.0	-65.59	390.98	4.80	-60.79
CCC(C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](CC)CC	REAL300028879233	0	60	0.0	-59.71	428.41	5.67	-54.04
CC1CCC[N@@H+]1CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028879244	0	55	0.0	-61.95	400.71	4.71	-57.24
CC1CCC[N@H+]1CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028879244	1	55	0.0	-64.17	400.73	4.70	-59.47
CC(C)[N@@H+]1CCCC1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028879290	0	58	0.0	-64.90	416.39	5.28	-59.62
CC(C)[N@H+]1CCCC1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028879290	1	58	0.0	-62.19	413.69	5.37	-56.82
CC(C)[C@@H](C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300028879299	0	57	0.0	-68.88	405.38	5.37	-63.51
CC1CC[N@H+](CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028879313	0	55	0.0	-64.03	408.24	4.98	-59.05
CC1CC[N@@H+](CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028879313	1	55	0.0	-66.48	408.12	5.09	-61.39
CC1(C)CC[N@H+](CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028879317	0	58	0.0	-64.14	427.58	5.59	-58.55
CC1(C)CC[N@@H+](CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028879317	1	58	0.0	-64.17	427.26	5.56	-58.61
C[N@H+](CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)CC(C)(C)C	REAL300028879318	0	60	0.0	-66.81	430.55	5.75	-61.06
C[N@@H+](CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)CC(C)(C)C	REAL300028879318	1	60	0.0	-69.26	427.38	5.68	-63.58
CC[C@@H](C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300028879326	0	54	0.0	-62.01	390.35	4.33	-57.68
CC1=[NH+]C=CN1CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028879447	1	50	0.0	-62.50	391.45	4.95	-57.55
CC[N@@H+]1CCOC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028879511	1	56	0.0	-70.48	416.94	4.15	-66.33
CC[N@H+]1CCOC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028879511	1	56	0.0	-78.24	412.59	4.11	-74.13
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1=CN2C=[NH+]C=C2C=C1	REAL300028879541	0	50	0.0	-66.98	392.17	6.84	-60.14
CC1=C[NH+]=CN1CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028879544	1	50	0.0	-69.63	387.21	5.52	-64.11
C[C@@H]1[C@H](C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC[N@@H+]1C	REAL300028879551	0	55	0.0	-77.17	393.91	4.15	-73.02
C[C@@H]1[C@H](C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC[N@H+]1C	REAL300028879551	1	55	0.0	-66.57	403.78	4.46	-62.11
CC[C@@H]1[C@@H](C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC[N@@H+]1C	REAL300028879553	0	58	0.0	-65.91	419.21	4.99	-60.92
CC[C@@H]1[C@@H](C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC[N@H+]1C	REAL300028879553	1	58	0.0	-69.70	418.49	5.38	-64.32
CC1CCC(C)[NH+]1CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028879560	0	58	0.0	-63.01	418.96	5.13	-57.88
O=C(CCC[NH+]1CCCC1)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028879563	0	58	0.0	-68.31	431.82	5.87	-62.44
O=C(CC[NH+]1CCCCC1)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028879567	0	58	0.0	-65.75	426.02	5.75	-60.00
CC[N@@H+]1CCCCC1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028879570	0	58	0.0	-65.03	407.43	5.15	-59.88
CC[N@H+]1CCCCC1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028879570	1	58	0.0	-62.79	412.12	5.29	-57.50
C[N@H+](CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CCC1	REAL300028879668	0	55	0.0	-65.42	408.11	5.32	-60.10
C[N@@H+](CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CCC1	REAL300028879668	1	55	0.0	-68.02	403.69	5.17	-62.85
C[NH+]1CCC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300028879699	0	55	0.0	-71.88	402.04	4.83	-67.05
C[N@@H+]1CCC[C@@H]1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028879729	0	52	0.0	-64.69	381.72	3.88	-60.81
C[N@H+]1CCC[C@@H]1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028879729	1	52	0.0	-70.05	383.43	4.11	-65.94
C#CC[N@H+]1CCC[C@H]1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028879747	1	54	0.0	-71.84	403.79	4.84	-67.00
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028879747	1	54	0.0	-62.90	413.35	5.60	-57.30
C[N@@H+]1CCCC1CCC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028879752	0	58	0.0	-67.92	429.38	5.82	-62.10
C[N@H+]1CCCC1CCC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028879752	1	58	0.0	-65.38	423.09	5.22	-60.16
C[N@@H+]1CCCCC1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028879826	0	55	0.0	-62.58	403.60	4.79	-57.79
C[N@H+]1CCCCC1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028879826	1	55	0.0	-62.55	403.51	4.80	-57.75
CC1C(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC[N@@H+]1C	REAL300028879884	0	55	0.0	-69.54	399.50	4.51	-65.03
CC1C(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC[N@H+]1C	REAL300028879884	1	55	0.0	-64.24	407.52	4.92	-59.32
CC(C)(C)[N@@H+]1CCC1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028879940	0	58	0.0	-63.79	423.41	5.03	-58.76
CC(C)(C)[N@H+]1CCC1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028879940	1	58	0.0	-70.07	418.93	4.90	-65.17
C[C@@H](C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300028879954	0	51	0.0	-68.38	374.89	3.59	-64.79
C=CCC(C)(C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300028879968	0	58	0.0	-69.90	416.75	5.65	-64.25
O=C(CC[NH+]1CCCC1)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028879985	0	55	0.0	-66.03	408.74	4.96	-61.07
C[N@H+](CCO)CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028879994	1	52	0.0	-65.54	390.10	0.77	-64.77
C[N@@H+](CCO)CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028879994	1	52	0.0	-69.54	385.63	0.57	-68.97
C[N@H+]1CC=C(CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300028880052	0	56	0.0	-67.21	421.16	5.66	-61.55
C[N@@H+]1CC=C(CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300028880052	1	56	0.0	-66.17	421.16	5.65	-60.52
C[S+](C)CCC(O)C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028880062	0	54	0.0	-72.26	426.84	2.82	-69.44
C[N@@H+]1CC(O)CC1(C)C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028880075	0	56	0.0	-76.82	406.72	1.30	-75.52
C[N@H+]1CC(O)CC1(C)C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028880075	1	56	0.0	-69.55	408.05	1.35	-68.20
CC1C[NH+](CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028880105	1	52	0.0	-65.15	392.09	4.50	-60.65
CC[N@@H+]1CCCC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028880111	0	58	0.0	-65.91	424.00	5.50	-60.41
CC[N@H+]1CCCC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028880111	1	58	0.0	-62.76	417.73	5.69	-57.07
NC1=[NH+]C=CC=C1CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028880115	0	51	0.0	-63.22	396.27	3.13	-60.09
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CCC[N@@H+]1C1CC1	REAL300028880123	0	56	0.0	-68.12	414.69	5.58	-62.54
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CCC[N@H+]1C1CC1	REAL300028880123	1	56	0.0	-60.20	414.57	5.71	-54.49
O=C(C=CC[NH+]1CCCC1)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028880153	0	56	0.0	-69.86	424.29	5.75	-64.11
CC[N@H+](C)CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028880198	0	51	0.0	-69.32	375.18	3.84	-65.48
O=C(CN1CC2C=CC1C2)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028880233	0	54	0.0	-62.21	400.84	5.20	-57.01
O=C(C[N@@H+]1CC2C=CC1C2)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028880233	1	54	0.0	-62.82	401.38	5.31	-57.51
O=C(C[N@H+]1CC2C=CC1C2)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028880233	1	54	0.0	-62.82	401.38	5.31	-57.51
CC(OCC[NH+](C)C)C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028880320	0	58	0.0	-67.15	436.89	4.94	-62.21
C[NH+](C)CCOCCC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028880327	0	58	0.0	-67.74	438.82	4.08	-63.66
COCCN(C)CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028880329	0	55	0.0	-69.30	407.88	2.97	-66.33
COCC[N@H+](C)CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028880329	1	55	0.0	-70.70	407.78	3.01	-67.69
COCC[N@@H+](C)CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028880329	1	55	0.0	-70.70	407.78	3.01	-67.69
CC(CCC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300028880332	0	57	0.0	-70.23	414.99	4.94	-65.29
CC[N@H+](CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300028880348	0	55	0.0	-62.25	408.32	5.28	-56.97
C[N@@H+]1CC2CC1(C(=O)NC1(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC1)C2	REAL300028880375	0	53	0.0	-76.77	388.92	4.13	-72.64
O=C(C[N@@H+]1CC2CCC1C2)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028880384	0	56	0.0	-62.78	408.71	5.43	-57.35
O=C(C[N@H+]1CC2CCC1C2)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028880384	1	56	0.0	-62.78	408.71	5.43	-57.35
CC(C[NH+](C)C)C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028880399	0	54	0.0	-68.25	400.40	4.61	-63.64
CCN1CCC1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028880436	0	52	0.0	-72.68	388.84	4.05	-68.63
CC[N@@H+]1CCC1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028880436	1	52	0.0	-65.67	386.81	3.98	-61.69
CC[N@H+]1CCC1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028880436	1	52	0.0	-65.67	386.81	3.98	-61.69
CCC(C)(C)[NH2+]C(C)C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028880447	0	60	0.0	-64.07	427.20	3.88	-60.19
CNC1=NC(C)=CC=C1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028880474	0	54	0.0	-56.97	410.97	4.28	-52.69
CNC1=[NH+]C(C)=CC=C1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028880474	1	54	0.0	-56.97	410.97	4.28	-52.69
CCCC(C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300028880483	0	57	0.0	-67.38	417.29	5.19	-62.19
C[NH+](C)C(C)(C)C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028880488	0	54	0.0	-68.55	389.45	4.46	-64.09
CC(CC[NH+](C)C)C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028880502	0	57	0.0	-69.07	422.04	5.23	-63.84
C[N@@H+]1CC(C)(C)CC1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028880564	0	58	0.0	-62.39	427.98	5.47	-56.92
C[NH+](C)CCCCCC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028880566	0	60	0.0	-70.22	448.86	6.25	-63.97
CN1CCN(CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300028880573	0	57	0.0	-66.74	420.61	2.70	-64.04
C[NH+]1CCN(CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300028880573	1	57	0.0	-66.74	420.61	2.70	-64.04
CC1CN(C)CC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)O1	REAL300028880626	0	56	0.0	-77.30	413.35	3.92	-73.38
CC1C[N@H+](C)CC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)O1	REAL300028880626	1	56	0.0	-67.42	413.45	4.20	-63.22
CC1C[N@@H+](C)CC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)O1	REAL300028880626	1	56	0.0	-67.42	413.45	4.20	-63.22
C[N@@H+]1CCCCC1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028880684	0	55	0.0	-62.55	403.51	4.80	-57.75
C[N@@H+]1CCC(=CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028880758	0	53	0.0	-73.20	395.02	4.64	-68.56
C[N@H+]1CCC(=CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028880758	1	53	0.0	-73.20	395.02	4.64	-68.56
O=C(CNC1=CC=[NH+]C=C1)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028880761	0	51	0.0	-64.76	397.73	2.61	-62.15
C[NH+](C)C1(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCCC1	REAL300028880824	0	58	0.0	-64.66	405.99	5.55	-59.11
CCC1CN(CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028880833	0	55	0.0	-65.73	414.66	5.23	-60.50
CCC1C[NH+](CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028880833	1	55	0.0	-65.73	414.66	5.23	-60.50
C[N@@H+]1CCC[C@H]1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028880843	0	52	0.0	-66.83	381.77	3.87	-62.96
NC1=CC=C(CCC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C=[NH+]1	REAL300028880887	0	54	0.0	-66.90	421.01	3.84	-63.06
C[NH+](C)[C@H]1C[C@H](C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028880938	0	55	0.0	-66.33	411.60	5.06	-61.27
C[NH+](C)CCC1(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300028880947	0	58	0.0	-66.00	437.68	5.82	-60.18
C[N@@H+]1CC=CCC1CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028880948	0	56	0.0	-68.44	412.09	5.25	-63.19
C[N@H+]1CC=CCC1CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028880948	1	56	0.0	-63.65	408.15	5.31	-58.34
C[NH+](C)CCOCC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028880984	0	55	0.0	-69.04	417.87	4.22	-64.82
[NH2+]=C1SC=CN1CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028881012	0	48	0.0	-61.63	389.09	3.51	-58.12
C[C@@H](OCC[NH+](C)C)C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028881054	0	58	0.0	-64.88	437.27	4.81	-60.07
C[N@@H+]1CCCC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028881084	0	55	0.0	-67.94	395.52	4.89	-63.05
C[N@H+]1CCCC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028881084	1	55	0.0	-67.94	395.52	4.89	-63.05
O=C(C[NH+]1CCCCCC1)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028881085	0	58	0.0	-68.67	408.41	5.22	-63.45
CN1C=C[N+](CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300028881089	0	50	0.0	-63.39	393.24	6.84	-56.55
O=C(CN1CCC(O)CC1)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028881112	0	56	0.0	-71.01	414.82	1.85	-69.16
O=C(C[NH+]1CCC(O)CC1)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028881112	1	56	0.0	-71.01	414.82	1.85	-69.16
C[N@H+](CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300028881114	0	52	0.0	-62.98	391.42	4.74	-58.24
O=C(CC[N@H+]1CCC(F)C1)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028881117	0	55	0.0	-72.45	416.59	5.15	-67.30
CC(CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C[NH+](C)C	REAL300028881138	0	57	0.0	-66.86	419.10	5.20	-61.66
CN1CCOCC1CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028881157	0	56	0.0	-66.12	404.89	2.89	-63.23
C[N@@H+]1CCOCC1CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028881157	1	56	0.0	-63.14	404.90	2.89	-60.25
C[N@H+]1CCOCC1CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028881157	1	56	0.0	-63.14	404.90	2.89	-60.25
CC1=CC(N)=NC=C1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028881197	0	51	0.0	-69.30	386.53	2.88	-66.42
CC1=CC(N)=[NH+]C=C1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028881197	1	51	0.0	-69.30	386.53	2.88	-66.42
CC1(O)CC[N@H+](CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028881227	0	56	0.0	-70.30	414.00	1.61	-68.69
C[NH+]1CC(CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028881255	0	52	0.0	-66.89	393.12	4.07	-62.82
C[N@H+](CCO)CCC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028881285	0	55	0.0	-67.78	412.35	1.35	-66.43
C[N@@H+](CCO)CCC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028881285	1	55	0.0	-67.78	412.35	1.35	-66.43
C[N@@H+]1CCCCC1CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028881303	0	58	0.0	-63.27	413.71	5.38	-57.89
C[N@H+]1CCCCC1CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028881303	1	58	0.0	-63.27	413.71	5.38	-57.89
CC(C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)N1CC(C)C1	REAL300028881316	0	55	0.0	-66.45	404.97	4.89	-61.56
CC(C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+]1CC(C)C1	REAL300028881316	1	55	0.0	-66.45	404.97	4.89	-61.56
CC1CCN1CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028881318	0	52	0.0	-63.06	387.74	4.15	-58.91
CC1CC[N@@H+]1CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028881318	1	52	0.0	-63.56	393.26	4.46	-59.10
CC1CC[N@H+]1CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028881318	1	52	0.0	-63.56	393.26	4.46	-59.10
C[NH+](C)CC=CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028881326	0	52	0.0	-70.91	397.95	4.55	-66.36
CC1(C)CN(CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028881332	0	55	0.0	-64.77	412.63	4.96	-59.81
CC1(C)C[NH+](CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300028881332	1	55	0.0	-64.77	412.63	4.96	-59.81
C[NH+](C)CCSCC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028881354	0	55	0.0	-72.82	428.89	5.26	-67.56
O=C(C[N@H+]1CCCC1CO)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028881373	0	56	0.0	-65.54	415.19	1.94	-63.60
CC[NH+](CC)CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028881377	0	54	0.0	-65.05	397.36	4.56	-60.49
O=C(CN1CCC1)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028881386	0	49	0.0	-69.79	367.74	3.67	-66.12
O=C(C[NH+]1CCC1)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028881386	1	49	0.0	-69.79	367.74	3.67	-66.12
CC[NH+](CC)CCC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028881417	0	57	0.0	-67.47	414.99	4.85	-62.62
CC(C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)N1CCC1	REAL300028881476	0	52	0.0	-62.85	390.24	4.42	-58.43
CC(C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+]1CCC1	REAL300028881476	1	52	0.0	-62.85	390.24	4.42	-58.43
CCC(CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C[NH+](C)C	REAL300028881481	0	60	0.0	-69.94	433.20	5.68	-64.26
C[NH+](C)CC(C)(C)C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028881487	0	57	0.0	-64.79	411.91	4.99	-59.80
C[N@@H+]1CCCC[C@@H]1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028881524	0	55	0.0	-64.80	399.02	4.65	-60.15
C[NH+](C)CC(O)CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028881548	0	55	0.0	-71.96	414.43	2.24	-69.72
C=CCC(C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300028881570	0	55	0.0	-66.86	410.04	4.95	-61.91
C[NH+]1CCC(C)(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300028881583	0	58	0.0	-64.86	419.26	5.40	-59.46
C[NH+](C)CCSCC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028881646	0	55	0.0	-78.03	431.76	5.48	-72.55
C[C@H](CNC(=O)C1CN(C)CCO1)NC(=O)C1=CC(=O)[N-]O1	REAL300028881731	0	42	0.0	-60.66	338.55	-0.22	-60.88
C[C@H](CNC(=O)C1C[N@H+](C)CCO1)NC(=O)C1=CC(=O)[N-]O1	REAL300028881731	1	42	0.0	-65.74	338.52	-0.24	-65.98
C[C@H](CNC(=O)C1C[N@@H+](C)CCO1)NC(=O)C1=CC(=O)[N-]O1	REAL300028881731	1	42	0.0	-65.74	338.52	-0.24	-65.98
CC(C)C1=[NH+]C=CN1CCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028881887	1	48	0.0	-57.67	393.71	2.62	-55.05
CC(C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300028881894	0	50	0.0	-58.33	379.39	2.25	-56.08
CC(C)[N@H+]1CCCCC1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028881897	0	50	0.0	-57.12	381.49	1.96	-55.16
CC(C)[N@@H+]1CCCCC1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028881897	1	50	0.0	-55.88	381.40	1.97	-53.91
CC(C)[N@H+]1CCCC1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028881931	0	47	0.0	-57.80	367.09	1.59	-56.21
CC(C)[N@@H+]1CCCC1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028881931	1	47	0.0	-59.47	361.09	1.74	-57.73
C[C@H](CNC(=O)C1CC2CCCC[N@@H+]2C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028881962	0	48	0.0	-61.61	375.83	2.21	-59.40
C[C@H](CNC(=O)C1CC2CCCC[N@H+]2C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028881962	1	48	0.0	-58.38	375.79	2.22	-56.16
CC(C)C1=[NH+]C=CN1CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028882000	1	45	0.0	-58.61	373.94	2.20	-56.41
CC1=[NH+]C=CN1CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028882060	1	39	0.0	-60.23	337.72	1.09	-59.14
CC(C[NH+]1CCOCC1)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028882062	0	48	0.0	-64.53	379.61	0.18	-64.35
C[C@H](CNC(=O)CCC[NH+]1CCCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028882085	0	50	0.0	-63.92	393.34	2.67	-61.25
C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028882125	0	50	0.0	-57.53	377.65	2.45	-55.08
C[C@H](CNC(=O)C1CC[N@@H+](C2CCCCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028882128	0	54	0.0	-61.45	414.15	3.42	-58.03
C[C@H](CNC(=O)C1CC[N@H+](C2CCCCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028882128	1	54	0.0	-60.61	413.82	3.39	-57.22
C[C@H](CNC(=O)C1C[NH+]2CCC1CC2)NC(=O)C1=CC(=O)[N-]O1	REAL300028882145	0	45	0.0	-61.91	349.52	1.25	-60.66
C[C@H](CNC(=O)C1CCCC2CCC[N@@H+]21)NC(=O)C1=CC(=O)[N-]O1	REAL300028882206	0	48	0.0	-56.32	372.88	2.30	-54.02
C[C@H](CNC(=O)C1CCCC2CCC[N@H+]21)NC(=O)C1=CC(=O)[N-]O1	REAL300028882206	1	48	0.0	-58.60	364.99	2.04	-56.56
C[C@H](CNC(=O)C1=CN(CC[NH+](C)C)N=C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028882210	0	47	0.0	-73.34	392.60	0.94	-72.40
C[C@H](CNC(=O)C1=NN(CC[NH+](C)C)C=C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028882227	0	47	0.0	-69.83	392.98	0.97	-68.86
C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL300028882236	0	44	0.0	-62.96	345.04	0.45	-62.51
C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)C1=CC(=O)[N-]O1	REAL300028882236	1	44	0.0	-61.39	350.34	0.98	-60.41
CCC1=[NH+]C=CN1C(C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028882240	1	48	0.0	-58.08	394.24	2.68	-55.40
CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028882243	0	47	0.0	-62.61	365.72	1.15	-61.46
CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028882243	1	47	0.0	-61.97	370.47	1.49	-60.48
CC[N@@H+]1CCOC(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028882272	1	45	0.0	-59.40	356.35	0.42	-58.98
CC[N@H+]1CCOC(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028882272	1	45	0.0	-64.38	356.37	0.40	-63.98
CC[NH+](CC)CC(F)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028882346	0	46	0.0	-61.06	367.56	1.20	-59.86
C[C@H](CNC(=O)C1=C(C[NH+](C)C)C=CS1)NC(=O)C1=CC(=O)[N-]O1	REAL300028882347	0	44	0.0	-59.36	373.42	2.09	-57.27
C[C@H](CNC(=O)C[NH+]1C(C)CCC1C)NC(=O)C1=CC(=O)[N-]O1	REAL300028882474	0	47	0.0	-58.05	365.06	1.34	-56.71
C[C@H](CNC(=O)CCC[NH+]1CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028882485	0	47	0.0	-63.91	378.12	2.01	-61.90
C[C@H](CNC(=O)C1=CC=CC(C[NH+](C)C)=C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028882486	0	47	0.0	-68.97	386.45	2.95	-66.02
C#CC[NH+]1CCC(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028882496	0	46	0.0	-65.92	377.55	2.28	-63.64
C[C@H](CNC(=O)CC[NH+]1CCCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028882498	0	47	0.0	-63.01	371.84	1.87	-61.14
C[C@H](CNC(=O)C1=CC=CC=C1C[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL300028882502	0	47	0.0	-58.75	378.91	3.23	-55.52
CC[N@@H+]1CCCCC1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028882514	0	47	0.0	-59.28	358.63	1.55	-57.73
CC[N@H+]1CCCCC1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028882514	1	47	0.0	-58.61	368.08	1.69	-56.92
CC(C)C(C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300028882515	0	53	0.0	-58.83	396.51	3.11	-55.72
C[C@H](CNC(=O)C(C1=CC=CC=C1)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL300028882518	1	47	0.0	-59.73	382.95	2.95	-56.78
CC(C)C[N@@H+]1CCC(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028882544	0	50	0.0	-62.42	392.73	2.44	-59.98
CC(C)C[N@H+]1CCC(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028882544	1	50	0.0	-62.81	394.26	2.42	-60.39
C[C@H](CNC(=O)C1([NH+](C)C)CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028882548	0	44	0.0	-61.24	345.63	0.80	-60.44
C[C@H](CNC(=O)C1CCC[N@@H+]1C1CCOCC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028882551	0	52	0.0	-61.08	393.62	1.18	-59.90
C[C@H](CNC(=O)C1CCC[N@H+]1C1CCOCC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028882551	1	52	0.0	-61.22	399.98	1.05	-60.17
C[C@H](CNC(=O)C(CN1C=CC=N1)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL300028882553	1	47	0.0	-62.43	381.26	0.74	-61.69
CC(C)[N@H+]1CCCC1CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028882560	0	50	0.0	-60.48	387.63	2.10	-58.38
CC(C)[N@@H+]1CCCC1CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028882560	1	50	0.0	-57.48	377.51	2.00	-55.48
C[C@H](CNC(=O)C1CCC[N@@H+]1C1CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028882561	0	51	0.0	-58.57	384.32	2.81	-55.76
C[C@H](CNC(=O)C1CCC[N@H+]1C1CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028882561	1	51	0.0	-58.22	394.23	2.86	-55.36
CC(C)[C@@H](C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028882590	0	46	0.0	-60.05	357.59	1.70	-58.35
C[C@H](CNC(=O)C[N@H+](C)C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028882661	0	44	0.0	-60.33	354.41	1.44	-58.89
C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028882661	1	44	0.0	-60.44	354.51	1.46	-58.98
CC(C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300028882766	0	50	0.0	-55.96	378.99	1.82	-54.14
C[C@H](CNC(=O)CCN(C)C1=CC=[NH+]C=C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028882846	0	46	0.0	-59.72	382.77	1.13	-58.59
C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028882860	1	43	0.0	-58.57	354.96	1.23	-57.34
C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028882860	1	43	0.0	-59.38	360.67	1.76	-57.62
C[C@H](CNC(=O)CCC1CCC[N@@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL300028882873	0	47	0.0	-63.29	370.23	1.49	-61.80
C[C@H](CNC(=O)CCC1CCC[N@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL300028882873	1	47	0.0	-63.87	370.19	1.51	-62.36
C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)NC(=O)C1=CC(=O)[N-]O1	REAL300028882892	0	48	0.0	-64.87	365.69	1.67	-63.20
C[C@H](CNC(=O)C1CCC2CCCC[N@@H+]21)NC(=O)C1=CC(=O)[N-]O1	REAL300028882900	0	48	0.0	-57.39	370.11	1.96	-55.43
C[C@H](CNC(=O)C1CCC2CCCC[N@H+]21)NC(=O)C1=CC(=O)[N-]O1	REAL300028882900	1	48	0.0	-56.49	376.14	2.40	-54.09
C[C@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028882912	0	51	0.0	-62.72	389.10	0.55	-62.17
CC[NH+](CC)CC1=CC=C(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)O1	REAL300028882929	0	50	0.0	-63.19	408.64	2.62	-60.57
C[C@H](CNC(=O)CCCC[NH+]1CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028882934	0	50	0.0	-64.64	399.62	2.78	-61.86
C[C@H](CNC(=O)C[N@H+](C)CC1=CC=CC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028882937	1	47	0.0	-65.36	385.01	3.06	-62.30
C[C@H](CNC(=O)C[N@@H+](C)CC1=CC=CC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028882937	1	47	0.0	-65.51	384.95	3.07	-62.44
C[C@H](CNC(=O)C1CC[NH+](C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028882954	0	44	0.0	-65.73	352.88	1.13	-64.60
C[C@H](CNC(=O)C1=NOC(C[NH+](C)C)=C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028883026	1	43	0.0	-73.97	366.40	0.43	-73.54
CC1=C(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300028883028	0	42	0.0	-63.74	352.38	3.34	-60.40
C[C@H](CNC(=O)C1CCCC[N@@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL300028883085	0	44	0.0	-60.26	350.25	1.06	-59.20
C[C@H](CNC(=O)C1CCCC[N@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL300028883085	1	44	0.0	-61.00	340.96	0.88	-60.12
CC(C)C[N@@H+]1CCCC1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028883122	0	50	0.0	-60.04	382.62	2.74	-57.30
CC(C)C[N@H+]1CCCC1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028883122	1	50	0.0	-58.48	382.27	2.73	-55.75
C[C@H](CNC(=O)C1=CN2C=[NH+]C=C2C=C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028883307	0	39	0.0	-64.70	338.46	2.97	-61.73
CC1=[NH+]C=CN1CCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028883322	1	45	0.0	-61.79	379.27	2.38	-59.41
C[C@H](CNC(=O)CCCC[NH+]1CCOCC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028883326	1	51	0.0	-67.64	406.56	1.06	-66.58
C[C@H](CNC(=O)C1=CC=C(C[NH+](C)C)C=C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028883332	0	47	0.0	-69.50	386.43	2.95	-66.55
C[C@H](CNC(=O)CC[NH+]1CCOCC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028883333	1	45	0.0	-65.82	363.56	-0.53	-66.35
C[C@H](CNC(=O)C(C)(C1=CC=CC=C1)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL300028883355	0	50	0.0	-62.58	384.09	2.99	-59.59
CCC[NH+](CCC)CCCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028883363	0	55	0.0	-64.30	430.85	3.68	-60.62
CC[N@H+](C)C(C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300028883364	0	50	0.0	-58.19	400.74	3.59	-54.60
CC[N@@H+](C)C(C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300028883364	1	50	0.0	-60.62	400.81	3.62	-57.00
CC1=C[NH+]=CN1CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028883391	1	39	0.0	-61.91	338.06	1.82	-60.09
C[C@H](CNC(=O)CN1C=[NH+]C2=C1CCCC2)NC(=O)C1=CC(=O)[N-]O1	REAL300028883404	1	46	0.0	-60.60	379.88	3.55	-57.05
C[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028883450	0	53	0.0	-59.73	392.79	3.12	-56.61
C[C@H](CNC(=O)C1=CC=CC=C1CC[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL300028883451	0	50	0.0	-63.04	397.94	3.69	-59.35
C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028883458	0	53	0.0	-63.99	406.70	3.07	-60.92
C[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028883458	1	53	0.0	-63.60	406.71	3.06	-60.54
C[C@H](CNC(=O)C12CCC[NH+]1CCC2)NC(=O)C1=CC(=O)[N-]O1	REAL300028883464	0	45	0.0	-58.32	352.88	1.45	-56.87
C[C@H](CNC(=O)C1CCCC([NH+](C)C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028883508	0	50	0.0	-62.16	380.59	2.12	-60.04
C[C@H](CNC(=O)CC1CC[N@H+](C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028883515	0	44	0.0	-65.80	354.15	1.07	-64.73
C[C@H](CNC(=O)CC1CC[N@@H+](C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028883515	1	44	0.0	-65.42	355.09	1.02	-64.40
C[C@H](CNC(=O)C1=C[NH+]=CC=C1N(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL300028883529	0	43	0.0	-63.57	359.01	0.27	-63.30
C[C@H](CNC(=O)CC1([NH+](C)C)CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028883559	0	50	0.0	-63.91	372.13	1.89	-62.02
C[C@H](CNC(=O)C1=CC2=C[NH+]=CN2C=C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028883635	1	39	0.0	-66.03	338.73	2.96	-63.07
C[C@H](CNC(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028883684	1	42	0.0	-69.84	367.99	0.91	-68.93
C[C@H](CNC(=O)CCCC[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL300028883720	0	46	0.0	-65.97	373.66	1.61	-64.36
CC(C)C(C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028883744	0	46	0.0	-59.59	356.08	1.18	-58.41
CCC[N@H+](C)CCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028883746	0	46	0.0	-64.11	369.89	1.43	-62.68
CCC[N@@H+](C)CCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028883746	1	46	0.0	-64.17	369.89	1.43	-62.74
C[C@H](CNC(=O)C12CC[N@H+](C1)CCC2)NC(=O)C1=CC(=O)[N-]O1	REAL300028883785	0	45	0.0	-62.33	350.23	0.68	-61.65
C[C@H](CNC(=O)C12CC[N@@H+](C1)CCC2)NC(=O)C1=CC(=O)[N-]O1	REAL300028883785	1	45	0.0	-63.29	349.94	0.67	-62.62
C[C@H](CNC(=O)C1CCC2CC(C)C[N@@H+]2C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028883882	0	51	0.0	-60.23	396.65	2.78	-57.45
C[C@H](CNC(=O)C1CCC2CC(C)C[N@H+]2C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028883882	1	51	0.0	-57.92	390.53	3.00	-54.92
CCCCCC[N@H+](C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028883942	0	52	0.0	-63.32	412.02	3.21	-60.11
CCCCCC[N@@H+](C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028883942	1	52	0.0	-63.23	412.02	3.23	-60.00
CC[NH+](CC)C(C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300028883955	0	52	0.0	-56.50	387.47	2.97	-53.53
CCC[N@@H+]1CCCC(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028883987	0	50	0.0	-59.01	385.78	2.68	-56.33
CCC[N@H+]1CCCC(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028883987	1	50	0.0	-58.12	385.79	2.69	-55.43
C[C@H](CNC(=O)C1CCCC[N@@H+]1C1CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028883999	0	54	0.0	-57.17	405.17	3.23	-53.94
C[C@H](CNC(=O)C1CCCC[N@H+]1C1CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028883999	1	54	0.0	-57.66	400.94	3.40	-54.26
CC(C)[N@H+]1CCOC(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028884012	0	48	0.0	-62.84	380.22	1.09	-61.75
CC(C)[N@@H+]1CCOC(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028884012	1	48	0.0	-58.37	373.07	0.92	-57.45
C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028884050	0	47	0.0	-61.87	370.86	1.96	-59.91
C[C@H](CNC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028884079	1	42	0.0	-72.97	367.59	0.91	-72.06
C[C@H](CNC(=O)COC1CC[NH+](C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028884089	0	48	0.0	-69.54	388.24	1.56	-67.98
C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028884108	0	44	0.0	-64.15	358.93	1.19	-62.96
CC1=[NH+]C=C2CCC(C(=O)NC[C@@H](C)NC(=O)C3=CC(=O)[N-]O3)CN21	REAL300028884109	1	46	0.0	-57.55	376.63	2.23	-55.32
CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028884214	0	50	0.0	-63.18	383.55	2.08	-61.10
C[C@H](CNC(=O)C1CC[NH+](C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028884244	0	44	0.0	-65.73	352.88	1.13	-64.60
CC(C)[C@H](C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028884261	0	46	0.0	-61.63	357.74	1.70	-59.93
CCC(C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300028884294	0	49	0.0	-57.44	374.46	1.76	-55.68
C[C@H](CNC(=O)C[N@@H+]1CCCC1C)NC(=O)C1=CC(=O)[N-]O1	REAL300028884485	0	44	0.0	-59.20	353.66	1.27	-57.93
C[C@H](CNC(=O)C[N@H+]1CCCC1C)NC(=O)C1=CC(=O)[N-]O1	REAL300028884485	1	44	0.0	-59.09	354.33	1.13	-57.96
C[C@H](CNC(=O)C[N@@H+]1CCC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028884488	0	44	0.0	-61.20	353.68	1.23	-59.97
C[C@H](CNC(=O)C[N@H+]1CCC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028884488	1	44	0.0	-61.21	354.36	1.22	-59.99
C[C@H](CNC(=O)C1(F)CC[N@@H+](C(C)(C)C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028884489	0	50	0.0	-58.99	390.36	1.75	-57.24
C[C@H](CNC(=O)C1(F)CC[N@H+](C(C)(C)C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028884489	1	50	0.0	-61.21	390.42	1.77	-59.44
CC1=[NH+]C=C2CC(C(=O)NC[C@@H](C)NC(=O)C3=CC(=O)[N-]O3)CCN21	REAL300028884491	1	46	0.0	-57.49	376.81	2.20	-55.29
C[C@H](CNC(=O)C1=CC=C(CC[NH+](C)C)C=C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028884493	0	50	0.0	-70.92	408.93	3.79	-67.13
C[C@H](CNC(=O)C[N@@H+]1CCC(C)(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028884495	0	47	0.0	-61.15	373.86	1.73	-59.42
C[C@H](CNC(=O)C[N@H+]1CCC(C)(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028884495	1	47	0.0	-61.03	373.27	1.71	-59.32
C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL300028884496	0	49	0.0	-61.36	377.92	1.98	-59.38
C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL300028884496	1	49	0.0	-61.61	377.92	1.97	-59.64
C[C@H](CNC(=O)C[N@H+](C)CCC1=CC=CC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028884497	0	50	0.0	-66.43	407.43	3.90	-62.53
C[C@H](CNC(=O)C[N@@H+](C)CCC1=CC=CC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028884497	1	50	0.0	-66.57	407.43	3.90	-62.67
CC(COCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCC1	REAL300028884515	0	51	0.0	-62.69	406.88	2.22	-60.47
C[C@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028884629	0	51	0.0	-63.45	402.07	3.34	-60.11
C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C1=CC=CC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028884690	0	51	0.0	-63.36	411.05	3.84	-59.52
C[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C1=CC=CC=C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028884690	1	51	0.0	-66.56	411.82	3.70	-62.86
C[C@H](CNC(=O)CC1(O)CC[NH+](C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028884796	0	48	0.0	-64.34	375.92	-0.13	-64.47
COCC[N@@H+]1CCCC1CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028884801	0	51	0.0	-61.41	397.23	0.81	-60.60
COCC[N@H+]1CCCC1CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028884801	1	51	0.0	-61.45	406.71	0.90	-60.55
C[C@H](CNC(=O)C[NH+]1CCC(CO)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028884813	1	48	0.0	-64.41	382.08	-1.35	-65.76
C[C@H](CNC(=O)C[NH+]1CCCCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028884817	0	47	0.0	-61.06	359.62	1.50	-59.56
C[C@H](CNC(=O)C[N+]1=CN(C)C=C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028884822	0	39	0.0	-61.19	339.53	2.97	-58.22
C[C@H](CNC(=O)C1CCC[N@H+](C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028884835	0	44	0.0	-63.33	352.86	1.07	-62.26
C[C@H](CNC(=O)C1CCC[N@@H+](C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028884835	1	44	0.0	-63.80	352.89	1.09	-62.71
C[C@H](CNC(=O)C1CCC[N@@H+]1C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028884839	0	45	0.0	-57.70	360.75	1.46	-56.24
C[C@H](CNC(=O)C1CCC[N@H+]1C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028884839	1	45	0.0	-59.86	358.81	1.31	-58.55
CCC(CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300028884890	0	49	0.0	-65.29	379.32	1.96	-63.33
C[C@H](CNC(=O)C(C)(C)C[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL300028884897	0	46	0.0	-63.43	355.49	1.15	-62.28
C[C@H](CNC(=O)C12CC(C1)C[N@@H+]2C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028884920	0	46	0.0	-57.72	366.85	2.12	-55.60
C[C@H](CNC(=O)C12CC(C1)C[N@H+]2C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028884920	1	46	0.0	-57.75	366.33	2.79	-54.96
C[C@H](CNC(=O)C[NH+]1CCC(O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028884946	1	45	0.0	-65.66	361.49	-2.00	-67.66
CC(C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300028884948	1	49	0.0	-65.25	381.55	-0.69	-65.94
C[C@H](CNC(=O)C1CC[N@@H+]1C1CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028884983	0	48	0.0	-60.09	374.23	1.95	-58.14
C[C@H](CNC(=O)C1CC[N@H+]1C1CCCC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028884983	1	48	0.0	-60.31	373.98	1.82	-58.49
C[C@H](CNC(=O)C1CC[N@@H+]1C(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL300028884990	0	47	0.0	-57.92	369.59	1.16	-56.76
C[C@H](CNC(=O)C1CC[N@H+]1C(C)(C)C)NC(=O)C1=CC(=O)[N-]O1	REAL300028884990	1	47	0.0	-58.51	369.65	1.17	-57.34
C[C@H](CNC(=O)C1CCN(C2=CC=[NH+]C=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028885001	0	47	0.0	-62.90	384.36	-0.04	-62.94
CCC1CCC[N@H+](CC(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028885056	0	50	0.0	-61.60	389.26	2.57	-59.03
CCC1CCC[N@@H+](CC(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028885056	1	50	0.0	-61.68	389.26	2.59	-59.09
C[C@H](CNC(=O)C1=CC=C(C[NH+](C)C)N1)NC(=O)C1=CC(=O)[N-]O1	REAL300028885066	0	45	0.0	-63.86	374.87	0.90	-62.96
C[C@H](CNC(=O)CC1CC2CCC(C1)[NH+]2C)NC(=O)C1=CC(=O)[N-]O1	REAL300028885083	0	51	0.0	-64.98	373.98	1.93	-63.05
C[C@H](CNC(=O)CC(C1=CC=CC=C1)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL300028885089	0	50	0.0	-62.53	396.01	3.36	-59.17
C[C@H](CNC(=O)CN1C=CSC1=[NH2+])NC(=O)C1=CC(=O)[N-]O1	REAL300028885130	0	37	0.0	-59.29	335.37	-0.36	-59.65
C[C@H](CNC(=O)CC[N@H+](C)CCO)NC(=O)C1=CC(=O)[N-]O1	REAL300028885142	0	44	0.0	-64.01	358.74	-2.53	-66.54
C[C@H](CNC(=O)CC[N@@H+](C)CCO)NC(=O)C1=CC(=O)[N-]O1	REAL300028885142	1	44	0.0	-63.22	358.72	-2.55	-65.77
C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL300028885146	0	44	0.0	-60.24	350.24	1.05	-59.19
C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL300028885146	1	44	0.0	-60.98	340.95	0.87	-60.11
C[C@H](CNC(=O)C1C[N@@H+]2CCN1CC2C)NC(=O)C1=CC(=O)[N-]O1	REAL300028885153	0	47	0.0	-61.51	359.67	-1.66	-63.17
C[C@H](CNC(=O)C1C[N@H+]2CCN1CC2C)NC(=O)C1=CC(=O)[N-]O1	REAL300028885153	1	47	0.0	-60.51	361.10	-1.53	-62.04
COC1C[N@@H+]2CCCC2(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028885203	0	49	0.0	-59.13	383.34	0.29	-58.84
COC1C[N@H+]2CCCC2(C(=O)NC[C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028885203	1	49	0.0	-59.43	383.81	0.10	-59.33
C[C@H](CNC(=O)CC1=CC2=C[NH+]=CN2C=C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028885220	0	42	0.0	-65.37	362.70	3.65	-61.72
C[C@H](CNC(=O)C[N@H+](C)C1CCSC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028885253	0	45	0.0	-66.97	367.58	1.71	-65.26
C[C@H](CNC(=O)C[N@@H+](C)C1CCSC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028885253	1	45	0.0	-67.94	367.78	1.70	-66.24
C[C@H](CNC(=O)C1=CC=NC(C[NH+](C)C)=C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028885294	1	46	0.0	-66.07	382.44	1.50	-64.57
C[C@H](CNC(=O)C=C1CC[N@H+](C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028885296	0	42	0.0	-67.72	347.14	1.01	-66.71
C[C@H](CNC(=O)C=C1CC[N@@H+](C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028885296	1	42	0.0	-67.31	347.15	1.01	-66.30
C[C@H](CNC(=O)C1C[NH+](C2CCCCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028885326	0	51	0.0	-64.11	400.26	2.82	-61.29
C[C@H](CNC(=O)COCC[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL300028885344	0	44	0.0	-64.82	364.17	0.52	-64.30
CCCCC[N@H+](C)CCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028885352	0	52	0.0	-64.94	412.89	2.98	-61.96
CCCCC[N@@H+](C)CCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL300028885352	1	52	0.0	-65.07	412.89	2.99	-62.08
C[C@H](CNC(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1)NC(=O)C1=CC(=O)[N-]O1	REAL300028885364	0	48	0.0	-65.23	387.26	1.43	-63.80
C=CCC(C)(C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028885376	0	47	0.0	-61.54	363.01	1.71	-59.83
C[C@H](CNC(=O)C(O)CC[S+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL300028885381	0	43	0.0	-64.94	373.14	-0.89	-65.83
C[C@H](CNC(=O)C1(C)CC(O)C[N@@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL300028885419	0	45	0.0	-61.55	357.59	-2.39	-63.94
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C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C(N)C2=CC=CC=C2[NH+]=C1	REAL300028890934	1	43	0.0	-57.28	360.21	0.13	-57.15
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C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@H+](C)CCO	REAL300028890946	1	41	0.0	-63.19	336.38	-3.11	-66.30
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C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C[N@H+]2CCN1CCC2	REAL300028890994	1	47	0.0	-62.76	356.40	-1.25	-64.01
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C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=CC[N@H+](C)CC1	REAL300028891100	0	45	0.0	-64.61	367.44	1.78	-62.83
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=CC[N@@H+](C)CC1	REAL300028891100	1	45	0.0	-63.53	367.44	1.77	-61.76
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC(=O)N(C2C[NH+](C)C2)C1	REAL300028891113	1	49	0.0	-67.19	396.88	0.17	-67.02
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C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC(O)C[N@H+]1C	REAL300028891154	1	45	0.0	-59.43	349.12	-1.84	-61.27
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CN(C)CC[N@H+](C)C1	REAL300028891169	0	49	0.0	-62.86	378.73	-0.40	-63.26
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CN(C)CC[N@@H+](C)C1	REAL300028891169	1	49	0.0	-63.33	379.22	-0.80	-64.13
CC(C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300028891170	0	48	0.0	-62.03	377.27	-1.43	-63.46
CC(C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)[N@H+]1CCCC(O)C1	REAL300028891170	1	48	0.0	-59.38	377.28	-1.44	-60.82
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C(N)[NH+]=CC2=C1CCC2	REAL300028891207	0	44	0.0	-57.68	368.86	0.26	-57.42
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1(O)CCC[N@H+](C)C1	REAL300028891217	0	48	0.0	-64.17	366.02	-0.29	-64.46
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1(O)CCC[N@@H+](C)C1	REAL300028891217	1	48	0.0	-62.85	368.92	-0.38	-63.23
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C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=CC=C[NH+]=C1N	REAL300028891247	0	40	0.0	-61.88	342.55	-0.75	-62.63
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C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC[N@H+]1C1CC1	REAL300028891262	1	45	0.0	-57.11	343.78	2.15	-54.96
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC1[N@@H+]1CCOC(C)C1	REAL300028891298	0	52	0.0	-64.15	404.50	1.81	-62.34
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC1[N@H+]1CCOC(C)C1	REAL300028891298	1	52	0.0	-64.06	397.79	1.76	-62.30
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C(C[NH+]2CCCC2)O1	REAL300028891318	0	48	0.0	-67.90	398.21	2.39	-65.51
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC[NH+]1CCCC1	REAL300028891325	0	45	0.0	-65.71	370.60	1.88	-63.83
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C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C12CCC[N@@H+]1CCCC2	REAL300028891676	0	48	0.0	-59.23	364.02	1.96	-57.27
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C12CCC[N@H+]1CCCC2	REAL300028891676	1	48	0.0	-59.23	364.02	1.96	-57.27
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C12CCC[N@@H+]1CC=CC2	REAL300028891688	0	46	0.0	-58.14	355.91	1.78	-56.36
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C12CCC[N@H+]1CC=CC2	REAL300028891688	1	46	0.0	-58.14	355.91	1.78	-56.36
CC(OCC[NH+](C)C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028891703	0	47	0.0	-65.09	383.95	1.20	-63.89
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCOCC[NH+](C)C	REAL300028891717	0	47	0.0	-63.48	385.11	0.25	-63.23
COCCN(C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028891719	0	44	0.0	-63.77	358.42	-0.73	-64.50
COCC[N@H+](C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028891719	1	44	0.0	-63.23	358.63	-0.71	-63.94
COCC[N@@H+](C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028891719	1	44	0.0	-63.23	358.63	-0.71	-63.94
CC(CCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028891728	0	46	0.0	-67.19	361.64	1.18	-66.01
CC[N@H+](CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028891772	0	44	0.0	-60.51	354.34	1.47	-59.04
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C[N@@H+]2CCN1C(C)C2	REAL300028891790	0	47	0.0	-63.52	346.64	-1.23	-64.75
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C12CC(C1)C[N@@H+]2C	REAL300028891830	0	42	0.0	-64.12	340.30	0.68	-63.44
CC1=NC(N)=CC=C1C=CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028891843	0	44	0.0	-63.04	373.27	0.11	-62.93
CC1=[NH+]C(N)=CC=C1C=CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028891843	1	44	0.0	-63.04	373.27	0.11	-62.93
CC1=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)C=NN1CC[NH+](C)C	REAL300028891848	0	50	0.0	-74.81	408.43	1.44	-73.37
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@@H+]1CC2CCC1C2	REAL300028891851	0	45	0.0	-61.50	352.19	1.35	-60.15
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@H+]1CC2CCC1C2	REAL300028891851	1	45	0.0	-59.98	352.53	1.37	-58.61
CC(C)[NH+]1CCC(CC(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028891871	0	53	0.0	-61.20	402.16	2.78	-58.42
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300028891903	0	44	0.0	-75.18	372.62	1.18	-74.00
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300028891903	1	44	0.0	-69.45	357.26	1.32	-68.13
CC(C)[N@@H+]1CCCC(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028891969	0	50	0.0	-58.62	380.94	2.45	-56.17
CC(C)[N@H+]1CCCC(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028891969	1	50	0.0	-56.24	380.94	2.45	-53.79
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCN(C2=[NH+]C=CN2C)C1	REAL300028891971	1	48	0.0	-55.90	389.87	1.95	-53.95
CCC(C)(C)[NH2+]C(C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028892000	0	49	0.0	-62.39	371.30	0.00	-62.39
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C#CC[N@@H+]1CCCCC1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028892060	1	46	0.0	-58.10	375.58	2.25	-55.85
CNC1=[NH+]C(C)=CC=C1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028892064	1	43	0.0	-56.63	357.59	0.54	-56.09
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C[NH+]=CC=C1N	REAL300028892066	0	37	0.0	-62.30	316.76	-2.05	-64.35
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(CC1=CC=CC=C1)[NH+](C)C	REAL300028892072	0	50	0.0	-63.44	400.72	4.02	-59.42
CCCC(C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028892081	0	46	0.0	-60.18	360.20	1.22	-58.96
CC(CC[NH+](C)C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028892115	0	46	0.0	-65.11	368.34	1.33	-63.78
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300028892187	0	51	0.0	-62.69	378.66	2.22	-60.47
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300028892187	1	51	0.0	-59.56	383.05	2.93	-56.63
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C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1CC[NH+](C)CC1	REAL300028892327	1	46	0.0	-63.89	367.70	-1.03	-64.92
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C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C[N@@H+](C)CC(C)O1	REAL300028892481	1	45	0.0	-66.40	360.14	0.61	-65.79
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C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C(C[NH+](C)C)N1	REAL300028892534	0	45	0.0	-71.57	374.91	0.88	-70.69
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+]1CC2CC2C1	REAL300028892559	0	42	0.0	-62.76	342.78	1.29	-61.47
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1([NH+]2CCCC2)CC1	REAL300028892584	0	48	0.0	-60.37	373.40	2.19	-58.18
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C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCC[N@@H+]1C	REAL300028892648	0	44	0.0	-60.40	340.94	0.88	-59.52
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCCC[N@H+]1C	REAL300028892648	1	44	0.0	-58.37	350.25	1.06	-57.31
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300028892657	1	48	0.0	-65.16	399.78	3.44	-61.72
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC[N@H+]1CC1=CC=CC=C1	REAL300028892657	1	48	0.0	-64.94	399.85	3.47	-61.47
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CC(C)C[N@H+]1CCCC(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028892664	1	53	0.0	-57.67	403.22	3.36	-54.31
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1CCC([NH+](C)C)CC1	REAL300028892749	0	52	0.0	-65.32	401.63	0.15	-65.17
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=C1CC[N@H+](C)C1	REAL300028892837	0	42	0.0	-67.90	347.15	0.99	-66.91
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=C1CC[N@@H+](C)C1	REAL300028892837	1	42	0.0	-67.84	346.18	1.02	-66.82
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CNC1=CC=[NH+]C=C1	REAL300028892845	0	40	0.0	-63.44	344.01	-1.28	-64.72
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C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=C1C[NH+]2CCC1CC2	REAL300028892923	0	46	0.0	-62.80	364.43	1.85	-60.95
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1([NH+](C)C)CCCC1	REAL300028892978	0	47	0.0	-66.59	358.05	1.61	-64.98
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300028892994	0	48	0.0	-61.79	378.55	-1.29	-63.08
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O	REAL300028892994	1	48	0.0	-59.68	378.77	-1.15	-60.83
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C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C[NH+](C2CCOCC2)C1	REAL300028893005	0	49	0.0	-68.72	391.55	0.40	-68.32
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1([NH+]2CCCC2)CCC1	REAL300028893008	0	48	0.0	-61.76	368.20	2.14	-59.62
CC[N@@H+]1CCOCC1CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028893066	0	48	0.0	-65.40	376.09	-0.07	-65.47
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(=O)NC2=C1CCC[NH2+]2	REAL300028893075	0	45	0.0	-80.99	368.07	-0.85	-81.84
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C[NH+](C2CCCCC2)C1	REAL300028893099	0	51	0.0	-66.19	400.61	2.82	-63.37
COC1C[N@@H+]2CCCC2(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028893120	0	49	0.0	-59.57	382.77	0.33	-59.24
COC1C[N@H+]2CCCC2(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028893120	1	49	0.0	-59.57	382.77	0.33	-59.24
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C2NC(N)=NC2=C1	REAL300028893198	0	41	0.0	-63.50	352.44	0.72	-62.78
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C2NC(N)=[NH+]C2=C1	REAL300028893198	1	41	0.0	-63.50	352.44	0.72	-62.78
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300028893257	0	44	0.0	-61.25	358.04	1.17	-60.08
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CC[NH+](C)C)CCCC1	REAL300028893272	0	53	0.0	-63.63	404.34	3.17	-60.46
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC[NH+]1C(C)CCCC1C	REAL300028893274	0	53	0.0	-61.47	398.88	2.56	-58.91
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC([NH+](C)C)CC1	REAL300028893277	0	50	0.0	-68.15	387.12	2.28	-65.87
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CC[NH+](C)C)CC1	REAL300028893278	0	47	0.0	-70.90	382.94	2.00	-68.90
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C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)COCC[NH+](C)C	REAL300028893373	0	44	0.0	-65.69	364.17	0.51	-65.18
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C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300028893398	0	48	0.0	-65.71	387.02	1.37	-64.34
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C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H](C)OCC[NH+](C)C	REAL300028893551	0	47	0.0	-64.96	383.95	1.20	-63.76
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C2(O)CC[NH+](C)CC2)CC1	REAL300028893556	0	52	0.0	-70.62	398.05	1.24	-69.38
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC[NH+]1CCCCCC1	REAL300028893647	0	50	0.0	-65.08	382.32	2.07	-63.01
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+]1CCCCC1	REAL300028893653	0	44	0.0	-62.57	350.02	1.32	-61.25
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC[N@H+](C)C1	REAL300028893655	0	44	0.0	-63.67	352.87	1.06	-62.61
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC[N@@H+](C)C1	REAL300028893655	1	44	0.0	-64.67	352.86	1.06	-63.61
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+]1CCC(CO)CC1	REAL300028893657	0	48	0.0	-66.48	381.70	-1.38	-67.86
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+]1CCCCCC1	REAL300028893663	0	47	0.0	-63.21	359.37	1.50	-61.71
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N+]1=CN(C)C=C1	REAL300028893670	0	39	0.0	-62.20	339.53	2.97	-59.23
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)C1CCC[N@H+](C)C1	REAL300028893691	0	53	0.0	-66.03	398.30	2.59	-63.44
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)C1CCC[N@@H+](C)C1	REAL300028893691	1	53	0.0	-65.64	398.28	2.56	-63.08
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C(C[NH+](C)C)O1	REAL300028893697	1	44	0.0	-69.43	371.78	1.17	-68.26
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C(C[NH+](C)C)N=C1	REAL300028893707	0	46	0.0	-69.73	382.24	1.09	-68.64
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+]1CCC(O)CC1	REAL300028893730	1	45	0.0	-66.86	361.12	-2.03	-68.89
CC(C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300028893739	1	49	0.0	-63.33	379.24	-0.72	-64.05
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC[N@@H+]1CCC(F)C1	REAL300028893747	0	44	0.0	-67.99	362.49	1.26	-66.73
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC[N@H+]1CCC(F)C1	REAL300028893747	1	44	0.0	-67.12	362.50	1.25	-65.87
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COC1C[N@@H+](C)C(C)(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028893765	1	48	0.0	-67.78	374.75	-0.19	-67.97
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300028893787	0	50	0.0	-70.51	408.94	3.78	-66.73
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C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC[N@@H+]2CCOCC12	REAL300028893818	0	46	0.0	-62.61	363.21	-0.28	-62.89
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC[N@H+]2CCOCC12	REAL300028893818	1	46	0.0	-61.59	363.02	-0.23	-61.82
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C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1COCC[N@@H+]1C	REAL300028893853	1	45	0.0	-62.92	351.42	-0.88	-63.80
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1COCC[N@H+]1C	REAL300028893853	1	45	0.0	-68.83	358.92	-0.73	-69.56
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C[NH+](C)C)C1=CC=CC=C1	REAL300028893864	0	50	0.0	-63.96	404.17	3.52	-60.44
CC[NH+]1CCN(CC(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028893869	0	49	0.0	-62.24	385.44	-0.36	-62.60
CC1=CC(N)=[NH+]C=C1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028893945	1	40	0.0	-62.50	337.48	-0.83	-63.33
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC1=CC=C(N)[NH+]=C1	REAL300028893948	0	43	0.0	-61.62	367.31	-0.05	-61.67
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(CC[NH+]2CCCCC2)CC1	REAL300028893976	0	54	0.0	-69.33	423.86	3.85	-65.48
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@@H+]1CCC(C)(O)C1	REAL300028894018	0	45	0.0	-63.11	364.27	-2.15	-65.26
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@H+]1CCC(C)(O)C1	REAL300028894018	1	45	0.0	-62.23	364.33	-2.12	-64.35
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NN1CC[NH+](C)C	REAL300028894028	0	47	0.0	-65.92	388.45	0.92	-65.00
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC[N@@H+]1C1CCCC1	REAL300028894071	0	48	0.0	-61.74	374.10	1.95	-59.79
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC[N@H+]1C1CCCC1	REAL300028894071	1	48	0.0	-62.83	378.92	2.22	-60.61
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC[N@H+](C)CCO	REAL300028894130	0	44	0.0	-65.21	358.75	-2.55	-67.76
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC[N@@H+](C)CCO	REAL300028894130	1	44	0.0	-63.79	358.72	-2.59	-66.38
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CCCC[N@@H+]1C	REAL300028894154	0	47	0.0	-64.49	367.55	1.63	-62.86
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CCCC[N@H+]1C	REAL300028894154	1	47	0.0	-65.51	367.53	1.64	-63.87
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C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCC[NH+]1CCCCC1	REAL300028894246	0	53	0.0	-65.38	414.84	3.43	-61.95
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C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC2=C(C[N@H+](C)CC2)S1	REAL300028894264	1	45	0.0	-70.37	382.36	2.52	-67.85
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC2=C(C[N@@H+](C)CC2)S1	REAL300028894264	1	45	0.0	-71.00	382.37	2.51	-68.49
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C2CC[NH+](C)CC2)CC1	REAL300028894278	0	51	0.0	-59.98	396.59	3.13	-56.85
CC1=C2C=C(C(=O)N[C@H](C)CNC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300028894289	1	42	0.0	-65.64	360.64	3.52	-62.12
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CSCC[NH+](C)C	REAL300028894305	0	44	0.0	-69.34	375.19	1.37	-67.97
CC(C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)[N@H+](C)CC1=CC=CC=C1	REAL300028894326	0	50	0.0	-63.91	403.39	3.44	-60.47
CC(C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)[N@@H+](C)CC1=CC=CC=C1	REAL300028894326	1	50	0.0	-64.59	403.07	3.43	-61.16
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC2=C(CCCC2)[NH+]=C1N	REAL300028894329	1	47	0.0	-55.54	378.90	1.27	-54.27
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@@H+]1CCCC1CO	REAL300028894338	0	45	0.0	-62.59	357.91	-2.49	-65.08
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@H+]1CCCC1CO	REAL300028894338	1	45	0.0	-61.38	363.10	-2.00	-63.38
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@H+](C)C1CCSC1	REAL300028894357	0	45	0.0	-67.41	367.57	1.70	-65.71
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@@H+](C)C1CCSC1	REAL300028894357	1	45	0.0	-69.89	367.78	1.68	-68.21
CC[NH+](CC)CCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028894416	0	46	0.0	-63.45	366.24	1.37	-62.08
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+]1CCC(C(N)=O)CC1	REAL300028894440	0	48	0.0	-75.01	386.33	-1.99	-77.00
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(C[NH+](C)C)=CN1	REAL300028894497	0	45	0.0	-66.61	374.67	0.72	-65.89
CC(C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300028894522	0	48	0.0	-61.91	379.17	-1.64	-63.55
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC2COCC[N@@H+]2C1	REAL300028894531	0	46	0.0	-61.88	366.78	-0.19	-62.07
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC2COCC[N@H+]2C1	REAL300028894531	1	46	0.0	-63.59	366.69	-0.20	-63.79
CCC(CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300028894566	0	49	0.0	-65.31	379.32	1.94	-63.37
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC1=CC=C(N)[NH+]=C1	REAL300028894573	0	41	0.0	-65.53	355.67	-0.34	-65.87
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)C[NH+](C)C	REAL300028894574	0	46	0.0	-63.04	355.82	1.16	-61.88
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(C1=CC=CC=C1)[NH+](C)C	REAL300028894617	0	50	0.0	-66.57	398.52	3.47	-63.10
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCCC[N@@H+]1C	REAL300028894652	0	44	0.0	-61.82	350.25	1.06	-60.76
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCCC[N@H+]1C	REAL300028894652	1	44	0.0	-62.45	340.95	0.87	-61.58
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C[N@@H+]2CCN1CC2C	REAL300028894666	0	47	0.0	-68.42	361.17	-1.57	-69.99
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1C[N@H+]2CCN1CC2C	REAL300028894666	1	47	0.0	-60.59	361.07	-1.58	-62.17
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC(O)C[NH+](C)C	REAL300028894700	0	44	0.0	-68.36	360.89	-1.53	-69.89
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC2CCC(C1)[NH+]2C	REAL300028894703	0	48	0.0	-63.59	343.51	1.60	-61.99
C#CC1(O)CC[NH+](C(C)C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028894740	0	50	0.0	-61.64	402.00	-0.69	-62.33
C=CCC(C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028894755	0	44	0.0	-58.82	351.96	0.94	-57.88
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300028894770	0	48	0.0	-59.98	375.73	2.18	-57.80
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CC2CCCC[N@H+]2C1	REAL300028894770	1	48	0.0	-61.39	375.49	2.18	-59.21
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1(C)CC[NH+](C)CC1	REAL300028894786	0	47	0.0	-65.98	365.54	1.52	-64.46
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1(O)CC[NH+](C)CC1	REAL300028894792	0	48	0.0	-67.45	378.83	-0.24	-67.69
COCC[N@@H+]1CCCC1CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028894807	0	51	0.0	-62.30	397.23	0.79	-61.51
COCC[N@H+]1CCCC1CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028894807	1	51	0.0	-61.54	406.71	0.90	-60.64
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1CC2CCC(C1)[NH+]2C	REAL300028894821	0	51	0.0	-67.16	373.99	1.90	-65.26
C[C@H](CNC(=O)C1=CC=NN1CC[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL300028894863	0	47	0.0	-65.28	388.16	0.95	-64.33
C[C@H](CNC(=O)C1=CC2=C(C[N@H+](C)CC2)S1)NC(=O)C1=CC(=O)[N-]O1	REAL300028894899	1	45	0.0	-68.88	382.37	2.53	-66.35
C[C@H](CNC(=O)C1=CC2=C(C[N@@H+](C)CC2)S1)NC(=O)C1=CC(=O)[N-]O1	REAL300028894899	1	45	0.0	-69.26	382.38	2.54	-66.72
C[C@H](CNC(=O)C1(C2CC[NH+](C)CC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028894911	0	51	0.0	-62.18	396.58	3.14	-59.04
CC1=C2C=C(C(=O)NC[C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300028894924	1	42	0.0	-63.61	360.65	3.53	-60.08
C[C@H](CNC(=O)CSCC[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL300028894939	0	44	0.0	-68.36	375.19	1.40	-66.96
C[C@H](CNC(=O)C1CC2COCC[N@@H+]2C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028894951	0	46	0.0	-61.59	366.71	-0.17	-61.76
C[C@H](CNC(=O)C1CC2COCC[N@H+]2C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028894951	1	46	0.0	-63.52	367.03	-0.20	-63.72
C[N@@H+]1CCCC1C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028895113	0	48	0.0	-65.28	362.09	2.56	-62.72
C[N@H+]1CCCC1C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028895113	1	48	0.0	-64.89	362.07	2.55	-62.34
C[N@@H+]1CCOC(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028895137	1	49	0.0	-73.36	379.50	2.38	-70.98
C[N@H+]1CCOC(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028895137	1	49	0.0	-72.60	379.48	2.37	-70.23
CC(C)C1=[NH+]C=CN1CCC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028895321	1	55	0.0	-61.78	427.64	5.09	-56.69
CC(C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300028895328	0	57	0.0	-62.77	411.12	4.37	-58.40
CC(C)[N@@H+]1CCCCC1C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028895330	0	57	0.0	-61.18	409.13	4.60	-56.58
CC(C)[N@H+]1CCCCC1C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028895330	1	57	0.0	-60.73	415.22	4.40	-56.33
CC(C)[N@@H+]1CCCC1C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028895364	0	54	0.0	-63.22	394.79	4.23	-58.99
CC(C)[N@H+]1CCCC1C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028895364	1	54	0.0	-61.85	400.95	4.03	-57.82
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@@H+]2C1	REAL300028895390	0	55	0.0	-63.73	409.45	4.66	-59.07
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@H+]2C1	REAL300028895390	1	55	0.0	-66.13	409.67	4.60	-61.53
CC(C)C1=[NH+]C=CN1CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028895423	1	52	0.0	-62.49	408.05	4.73	-57.76
CC1=[NH+]C=CN1CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028895477	1	46	0.0	-64.01	370.54	3.50	-60.51
CC(C[NH+]1CCOCC1)C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028895479	0	55	0.0	-68.61	413.35	2.64	-65.97
O=C(CCC[NH+]1CCCCC1)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028895501	0	57	0.0	-67.90	427.20	5.13	-62.77
CC(C)(C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300028895528	0	57	0.0	-62.18	411.48	4.89	-57.29
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+]2CCC1CC2	REAL300028895547	0	52	0.0	-68.53	383.57	3.83	-64.70
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC2CCC[N@@H+]21	REAL300028895605	0	55	0.0	-62.48	399.02	4.57	-57.91
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC2CCC[N@H+]21	REAL300028895605	1	55	0.0	-59.99	406.75	4.76	-55.23
C[NH+](C)CCN1C=C(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300028895607	0	54	0.0	-76.53	426.43	3.42	-73.11
C[NH+](C)CCN1C=CC(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300028895622	0	54	0.0	-74.82	427.06	3.53	-71.29
C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028895629	0	51	0.0	-68.47	378.79	3.03	-65.44
C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028895629	1	51	0.0	-66.58	384.32	3.31	-63.27
CCC1=[NH+]C=CN1C(C)CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028895632	1	55	0.0	-62.01	428.10	5.14	-56.87
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028895635	0	54	0.0	-67.31	399.28	3.74	-63.57
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028895635	1	54	0.0	-65.35	403.14	4.14	-61.21
CC[N@@H+]1CCOC(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028895661	1	52	0.0	-66.48	390.22	2.85	-63.63
CC[N@H+]1CCOC(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028895661	1	52	0.0	-67.58	390.16	2.87	-64.71
CC[NH+](CC)CC(F)C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028895721	0	53	0.0	-66.27	401.71	3.74	-62.53
C[NH+](C)CC1=C(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)SC=C1	REAL300028895722	0	51	0.0	-63.00	407.31	4.59	-58.41
CC1CCC(C)[NH+]1CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028895827	0	54	0.0	-62.98	401.07	3.94	-59.04
O=C(CCC[NH+]1CCCC1)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028895834	0	54	0.0	-67.80	411.23	4.40	-63.40
C[NH+](C)CC1=CC=CC(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300028895835	0	54	0.0	-72.13	420.27	5.42	-66.71
C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028895842	0	53	0.0	-70.60	411.37	4.74	-65.86
O=C(CC[NH+]1CCCCC1)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028895843	0	54	0.0	-67.08	406.14	4.36	-62.72
C[NH+](C)CC1=CC=CC=C1C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028895847	0	54	0.0	-62.70	412.92	5.63	-57.07
CC[N@@H+]1CCCCC1C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028895856	0	54	0.0	-63.00	392.55	4.11	-58.89
CC[N@H+]1CCCCC1C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028895856	1	54	0.0	-62.80	392.69	4.09	-58.71
CC(C)C(C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300028895857	0	60	0.0	-62.11	431.09	6.04	-56.07
C[NH+](C)C(C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300028895860	1	54	0.0	-64.89	416.85	5.41	-59.48
CC(C)C[N@@H+]1CCC(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028895886	0	57	0.0	-66.28	427.23	5.02	-61.26
CC(C)C[N@H+]1CCC(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028895886	1	57	0.0	-66.88	428.29	4.98	-61.90
C[NH+](C)C1(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300028895890	0	51	0.0	-65.68	373.89	3.61	-62.07
C[NH+](C)C(CN1C=CC=N1)C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028895892	1	54	0.0	-71.49	415.35	3.77	-67.72
CC(C)[N@@H+]1CCCC1CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028895897	0	57	0.0	-60.88	413.40	4.06	-56.82
CC(C)[N@H+]1CCCC1CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028895897	1	57	0.0	-61.18	410.84	4.07	-57.11
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@@H+]1C1CCCC1	REAL300028895898	0	58	0.0	-62.52	424.94	5.48	-57.04
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@H+]1C1CCCC1	REAL300028895898	1	58	0.0	-64.11	420.08	5.44	-58.67
CC(C)[C@@H](C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028895919	0	53	0.0	-64.66	390.89	4.01	-60.65
C[N@H+](CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300028895981	0	51	0.0	-64.44	388.40	3.99	-60.45
C[N@@H+](CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300028895981	1	51	0.0	-64.47	388.37	3.92	-60.55
CC(C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300028896067	0	57	0.0	-61.59	403.84	3.97	-57.62
CN(CCC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300028896146	0	53	0.0	-64.79	416.88	3.60	-61.19
C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028896158	1	50	0.0	-63.32	388.90	3.76	-59.56
C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028896158	1	50	0.0	-63.68	394.42	4.20	-59.48
C[N@@H+]1CCCC1CCC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028896168	0	54	0.0	-67.61	409.60	4.43	-63.18
C[N@H+]1CCCC1CCC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028896168	1	54	0.0	-67.13	404.27	4.02	-63.11
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[NH+](CCC1)C2	REAL300028896181	0	55	0.0	-68.45	399.77	4.22	-64.23
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC2CCCC[N@@H+]21	REAL300028896189	0	55	0.0	-62.07	402.87	4.40	-57.67
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC2CCCC[N@H+]21	REAL300028896189	1	55	0.0	-62.28	403.12	4.50	-57.78
CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028896197	0	58	0.0	-65.87	423.26	3.12	-62.75
O=C(CCCC[NH+]1CCCC1)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028896217	0	57	0.0	-68.53	433.47	5.25	-63.28
C[N@H+](CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300028896220	1	54	0.0	-69.80	418.80	5.52	-64.28
C[N@@H+](CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300028896220	1	54	0.0	-69.81	418.85	5.51	-64.30
C[NH+]1CCC(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028896237	0	51	0.0	-69.14	386.73	3.59	-65.55
C[NH+](C)CC1=CC(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300028896297	1	50	0.0	-77.37	401.16	2.94	-74.43
CC1=C(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300028896299	0	49	0.0	-67.30	386.69	5.90	-61.40
C[N@@H+]1CCCCC1C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028896342	0	51	0.0	-63.24	384.61	3.56	-59.68
C[N@H+]1CCCCC1C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028896342	1	51	0.0	-64.31	374.98	3.42	-60.89
CC(C)C[N@@H+]1CCCC1C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028896373	0	57	0.0	-63.82	416.37	5.26	-58.56
CC(C)C[N@H+]1CCCC1C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028896373	1	57	0.0	-62.25	426.45	5.02	-57.23
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN2C=[NH+]C=C2C=C1	REAL300028896530	0	46	0.0	-68.38	372.28	5.42	-62.96
CC1=[NH+]C=CN1CCCC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028896543	1	52	0.0	-65.44	413.15	4.83	-60.61
O=C(CCCC[NH+]1CCOCC1)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028896547	1	58	0.0	-71.65	440.41	3.52	-68.13
C[NH+](C)CC1=CC=C(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300028896553	0	54	0.0	-73.62	420.28	5.41	-68.21
O=C(CC[NH+]1CCOCC1)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028896554	1	52	0.0	-70.26	396.89	1.91	-68.35
CCC[NH+](CCC)CCCC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028896579	0	62	0.0	-68.25	463.97	6.09	-62.16
CC1=C[NH+]=CN1CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028896599	1	46	0.0	-66.24	371.92	4.26	-61.98
O=C(CN1C=[NH+]C2=C1CCCC2)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028896610	1	53	0.0	-65.11	413.89	6.08	-59.03
C[NH+](C)CC1(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CCCCC1	REAL300028896654	0	60	0.0	-67.27	428.66	5.29	-61.98
C[N@H+](CCC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300028896660	0	60	0.0	-68.04	440.56	5.53	-62.51
C[N@@H+](CCC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300028896660	1	60	0.0	-68.16	440.51	5.49	-62.67
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[NH+]1CCC2	REAL300028896665	0	52	0.0	-63.23	386.78	3.91	-59.32
C[NH+](C)C1CCCC(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028896704	0	57	0.0	-65.01	414.42	4.58	-60.43
C[N@@H+]1CCC(CC(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028896709	0	51	0.0	-69.14	389.16	3.58	-65.56
C[N@H+]1CCC(CC(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028896709	1	51	0.0	-69.50	388.45	3.53	-65.97
CN(C)C1=CC=[NH+]C=C1C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028896723	0	50	0.0	-69.18	392.76	2.72	-66.46
CCC(C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028896729	0	50	0.0	-63.91	370.88	3.02	-60.89
C[NH+](C)C1(CC(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300028896749	0	57	0.0	-68.26	405.97	4.35	-63.91
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC2=C[NH+]=CN2C=C1	REAL300028896814	1	46	0.0	-70.50	372.48	5.42	-65.08
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300028896857	1	49	0.0	-74.83	402.07	3.46	-71.37
C[NH+](C)CCCCC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028896891	0	53	0.0	-69.82	407.45	4.05	-65.77
CC(C)C(C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028896913	0	53	0.0	-65.12	393.36	3.98	-61.14
CCC[N@H+](C)CCC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028896915	0	53	0.0	-68.31	403.74	3.89	-64.42
CCC[N@@H+](C)CCC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028896915	1	53	0.0	-68.37	403.74	3.90	-64.47
CCC[N@H+](C)CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028896921	0	50	0.0	-66.32	381.37	3.33	-62.99
CCC[N@@H+](C)CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028896921	1	50	0.0	-66.30	381.37	3.33	-62.97
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@H+](C1)CCC2	REAL300028896951	0	52	0.0	-67.86	383.65	3.16	-64.70
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@@H+](C1)CCC2	REAL300028896951	1	52	0.0	-67.62	384.46	3.14	-64.48
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028897015	0	48	0.0	-65.50	362.30	2.56	-62.94
C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028897015	1	48	0.0	-63.73	367.15	3.00	-60.73
CC1CC2CCC(C(=O)NC[C@H]3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300028897042	0	58	0.0	-64.42	430.32	5.28	-59.14
CC1CC2CCC(C(=O)NC[C@H]3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300028897042	1	58	0.0	-60.74	424.39	5.45	-55.29
CCCCCC[N@H+](C)CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028897093	0	59	0.0	-67.41	445.87	5.68	-61.73
CCCCCC[N@@H+](C)CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028897093	1	59	0.0	-67.44	445.87	5.68	-61.76
CC[NH+](CC)C(C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300028897102	0	59	0.0	-60.60	421.31	5.23	-55.37
CC[NH+](CC)CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028897112	0	50	0.0	-64.58	373.56	2.99	-61.59
CCC[N@@H+]1CCCC(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028897146	0	57	0.0	-62.27	419.79	5.22	-57.05
CCC[N@H+]1CCCC(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028897146	1	57	0.0	-62.12	419.50	5.13	-56.99
CC(C)[N@@H+]1CCOC(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028897169	0	55	0.0	-69.86	414.07	3.53	-66.33
CC(C)[N@H+]1CCOC(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028897169	1	55	0.0	-65.88	406.98	3.38	-62.50
CC1CC[NH+](CC(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028897209	0	54	0.0	-66.14	404.64	4.42	-61.72
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300028897240	1	49	0.0	-76.07	401.34	3.35	-72.72
C[NH+]1CCC(OCC(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028897249	0	55	0.0	-73.31	422.05	4.02	-69.29
C[NH+](C)CC1(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028897266	0	51	0.0	-65.10	394.43	3.82	-61.28
CC1=[NH+]C=C2CCC(C(=O)NC[C@H]3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300028897267	1	53	0.0	-61.64	410.73	4.79	-56.85
CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028897368	0	57	0.0	-66.84	421.01	4.77	-62.07
C[NH+]1CCC(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028897398	0	51	0.0	-69.14	386.73	3.59	-65.55
CC(C)[C@H](C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028897421	0	53	0.0	-64.61	387.62	3.57	-61.04
CCC(C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300028897458	0	56	0.0	-60.83	406.44	4.34	-56.49
CC[N@H+](C)CCC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028897553	0	50	0.0	-67.67	382.24	3.15	-64.52
CC[N@@H+](C)CCC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028897553	1	50	0.0	-67.76	382.24	3.13	-64.63
CC1CCC[N@@H+]1CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028897629	0	51	0.0	-63.10	380.69	3.27	-59.83
CC1CCC[N@H+]1CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028897629	1	51	0.0	-63.13	380.78	3.29	-59.84
CC1CC[N@H+](CC(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028897631	0	51	0.0	-65.16	387.41	3.59	-61.57
CC1CC[N@@H+](CC(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028897631	1	51	0.0	-65.46	387.66	3.68	-61.78
CC(C)(C)[N@@H+]1CCC(F)(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028897632	0	57	0.0	-64.30	423.98	4.23	-60.07
CC(C)(C)[N@H+]1CCC(F)(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028897632	1	57	0.0	-64.41	424.43	4.31	-60.10
CC1=[NH+]C=C2CC(C(=O)NC[C@H]3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300028897634	1	53	0.0	-63.65	411.62	4.77	-58.88
CC1(C)CC[N@H+](CC(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028897637	0	54	0.0	-65.32	407.51	4.16	-61.16
CC1(C)CC[N@@H+](CC(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028897637	1	54	0.0	-65.34	407.67	4.18	-61.16
C[N@H+](CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300028897638	0	56	0.0	-66.00	410.17	4.44	-61.56
C[N@@H+](CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300028897638	1	56	0.0	-65.63	412.43	4.60	-61.03
CC[C@@H](C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028897649	0	50	0.0	-64.83	376.17	3.63	-61.20
CC(COCC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300028897657	0	58	0.0	-66.21	440.86	4.66	-61.55
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[NH+](CC2CC2)CC1	REAL300028897745	0	58	0.0	-69.11	433.34	5.61	-63.50
C[NH+]1CCC(O)(CC(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028897895	0	55	0.0	-69.51	412.50	2.13	-67.38
COCC[N@@H+]1CCCC1CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028897902	0	58	0.0	-65.87	436.74	3.60	-62.27
COCC[N@H+]1CCCC1CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028897902	1	58	0.0	-61.48	434.27	3.50	-57.98
C[NH+](C)CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028897910	0	44	0.0	-66.88	342.16	1.92	-64.96
O=C(C[NH+]1CCC(CO)CC1)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028897915	1	55	0.0	-67.70	415.56	1.09	-66.61
O=C(C[NH+]1CCCCCC1)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028897919	0	54	0.0	-65.91	394.97	4.34	-61.57
CN1C=C[N+](CC(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300028897924	0	46	0.0	-64.85	373.37	5.43	-59.42
C[N@@H+]1CCCC(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028897935	0	51	0.0	-62.76	380.37	3.73	-59.03
C[N@H+]1CCCC(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028897935	1	51	0.0	-67.42	386.90	3.60	-63.82
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@@H+]1C1CC1	REAL300028897941	0	52	0.0	-60.91	398.87	4.33	-56.58
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@H+]1C1CC1	REAL300028897941	1	52	0.0	-61.57	394.85	4.39	-57.18
CC(C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300028897978	1	48	0.0	-64.02	370.31	3.01	-61.01
CCC(CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300028897987	0	56	0.0	-69.27	412.85	4.52	-64.75
C[NH+](C)CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028897996	0	53	0.0	-64.34	388.96	3.69	-60.65
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC(C1)C[N@@H+]2C1CC1	REAL300028898019	0	53	0.0	-62.02	399.06	4.53	-57.49
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC(C1)C[N@H+]2C1CC1	REAL300028898019	1	53	0.0	-62.76	399.25	5.22	-57.54
O=C(C[NH+]1CCC(O)CC1)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898042	1	52	0.0	-69.84	394.97	0.44	-69.40
C[N@H+](CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028898044	0	48	0.0	-63.75	371.40	3.33	-60.42
C[N@@H+](CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028898044	1	48	0.0	-64.05	371.56	3.34	-60.71
CC(C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300028898045	1	56	0.0	-68.08	413.07	1.74	-66.34
C[NH+]1CC(CC(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028898074	0	48	0.0	-68.27	373.59	2.75	-65.52
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+]1C1CCCC1	REAL300028898078	0	55	0.0	-65.14	414.92	4.99	-60.15
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+]1C1CCCC1	REAL300028898078	1	55	0.0	-64.61	407.65	4.38	-60.23
CC(C)(C)[N@@H+]1CCC1C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898086	0	54	0.0	-63.08	387.57	3.09	-59.99
CC(C)(C)[N@H+]1CCC1C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898086	1	54	0.0	-62.36	404.00	3.75	-58.61
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300028898097	0	54	0.0	-69.03	417.11	2.47	-66.56
C[C@@H](C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028898100	0	47	0.0	-64.80	360.43	2.42	-62.38
CCC1CCC[N@H+](CC(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028898152	0	57	0.0	-65.32	415.48	4.58	-60.74
CCC1CCC[N@@H+](CC(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028898152	1	57	0.0	-65.59	415.60	4.60	-60.99
C[NH+](C)CC1=CC=C(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300028898161	0	52	0.0	-71.26	408.95	3.44	-67.82
C[NH+]1C2CCC1CC(CC(=O)NC[C@H]1CCCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028898176	0	58	0.0	-67.89	407.82	4.38	-63.51
[NH2+]=C1SC=CN1CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898222	0	44	0.0	-63.07	369.21	2.10	-60.97
C[N@H+](CCO)CCC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898235	0	51	0.0	-67.87	392.59	-0.07	-67.94
C[N@@H+](CCO)CCC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898235	1	51	0.0	-67.55	392.49	-0.11	-67.66
C[C@@H](C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028898236	0	47	0.0	-64.80	360.43	2.42	-62.38
C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898240	0	51	0.0	-64.57	374.64	3.45	-61.12
C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898240	1	51	0.0	-63.82	384.68	3.59	-60.23
CC1CN2CC[N@@H+]1CC2C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898250	0	54	0.0	-69.47	393.61	0.92	-68.55
CC1CN2CC[N@H+]1CC2C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898250	1	54	0.0	-67.83	394.92	0.89	-66.94
COC1C[N@@H+]2CCCC2(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028898299	0	56	0.0	-63.39	420.22	2.90	-60.49
COC1C[N@H+]2CCCC2(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028898299	1	56	0.0	-64.77	417.17	2.75	-62.02
O=C(CC1=CC2=C[NH+]=CN2C=C1)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898315	0	49	0.0	-68.54	396.54	6.10	-62.44
C[N@H+](CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300028898348	0	52	0.0	-71.69	401.78	4.23	-67.46
C[N@@H+](CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300028898348	1	52	0.0	-70.99	402.95	4.14	-66.85
O=C(C[NH+]1CCC1)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898349	1	45	0.0	-66.31	352.42	2.40	-63.91
C[NH+](C)CC1=CC(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC=N1	REAL300028898387	1	53	0.0	-69.06	416.56	3.67	-65.39
C[N@@H+]1CCC(=CC(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028898389	0	49	0.0	-71.24	381.25	3.55	-67.69
C[N@H+]1CCC(=CC(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028898389	1	49	0.0	-71.52	380.05	3.50	-68.02
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+](C2CCCCC2)C1	REAL300028898416	0	58	0.0	-67.74	434.42	5.24	-62.50
C[NH+](C)CCOCC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898434	0	51	0.0	-68.18	397.86	2.98	-65.20
CCCCC[N@H+](C)CCC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898441	0	59	0.0	-69.22	446.74	5.45	-63.77
CCCCC[N@@H+](C)CCC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898441	1	59	0.0	-69.23	446.74	5.45	-63.78
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028898451	0	55	0.0	-69.04	420.97	3.85	-65.19
C=CCC(C)(C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028898463	0	54	0.0	-66.49	396.55	4.29	-62.20
C[S+](C)CCC(O)C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898468	0	50	0.0	-66.65	406.98	1.59	-65.06
C[N@@H+]1CC(O)CC1(C)C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898503	0	52	0.0	-66.95	390.03	0.29	-66.66
CN1CC[N@H+](C)CC(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028898518	0	56	0.0	-65.68	413.21	1.69	-63.99
CN1CC[N@@H+](C)CC(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028898518	1	56	0.0	-65.68	413.21	1.69	-63.99
CC(C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300028898519	0	55	0.0	-65.21	413.19	0.91	-64.30
O=C(CN1CCC(CO)CC1)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898534	0	55	0.0	-67.70	415.56	1.09	-66.61
O=C(C[NH+]1CCC(CO)CC1)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898534	1	55	0.0	-67.70	415.56	1.09	-66.61
C[N@@H+]1CCCC(O)(CC(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028898544	0	55	0.0	-64.72	412.77	2.45	-62.27
C[N@H+]1CCCC(O)(CC(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028898544	1	55	0.0	-64.72	412.77	2.45	-62.27
CC1CN(CC(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028898548	0	48	0.0	-66.17	373.45	3.01	-63.16
CC1C[NH+](CC(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028898548	1	48	0.0	-66.17	373.45	3.01	-63.16
CN(CCO)CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898578	0	48	0.0	-66.71	370.22	-0.65	-67.36
C[N@H+](CCO)CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898578	1	48	0.0	-66.40	369.95	-0.67	-67.07
C[N@@H+](CCO)CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898578	1	48	0.0	-66.40	369.95	-0.67	-67.07
C[NH+]1C2CCC1CC(=CC(=O)NC[C@H]1CCCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028898601	0	56	0.0	-68.62	415.61	5.02	-63.60
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[N@@H+]2CCN1CCC2	REAL300028898606	0	54	0.0	-72.24	389.15	1.80	-70.44
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[N@H+]2CCN1CCC2	REAL300028898606	1	54	0.0	-72.24	389.15	1.80	-70.44
CC[N@@H+]1CCCC(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028898615	0	54	0.0	-65.79	404.61	4.30	-61.49
CC[N@H+]1CCCC(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028898615	1	54	0.0	-65.79	404.61	4.30	-61.49
CC(CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300028898617	0	53	0.0	-69.18	399.32	3.92	-65.26
CC[N@H+](C)CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898633	0	47	0.0	-65.92	359.87	2.58	-63.34
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@@H+]1CCCC2	REAL300028898662	0	55	0.0	-61.74	398.78	4.39	-57.35
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@H+]1CCCC2	REAL300028898662	1	55	0.0	-61.74	398.78	4.39	-57.35
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@@H+]1CC=CC2	REAL300028898672	0	53	0.0	-61.72	390.93	4.35	-57.37
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@H+]1CC=CC2	REAL300028898672	1	53	0.0	-61.72	390.93	4.35	-57.37
CC[N@H+](CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028898700	0	51	0.0	-64.42	383.44	3.81	-60.61
CC[NH+](CC)CCC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898725	0	53	0.0	-67.03	395.79	3.54	-63.49
CC1(C)CN(CC(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028898759	0	51	0.0	-66.07	392.51	3.50	-62.57
CC1(C)C[NH+](CC(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028898759	1	51	0.0	-66.07	392.51	3.50	-62.57
O=C(CCCC[NH+]1CCCCC1)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898765	0	60	0.0	-68.57	449.14	5.95	-62.62
CC1(O)CC[N@H+](CC(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028898800	0	52	0.0	-66.19	398.50	0.33	-65.86
C[NH+](C)CC=CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898813	0	48	0.0	-70.84	378.33	3.22	-67.62
CC(OCC[NH+](C)C)C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898840	0	54	0.0	-66.98	417.62	3.67	-63.31
C[NH+](C)CCOCCC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898851	0	54	0.0	-67.58	418.85	2.71	-64.87
COCC[N@H+](C)CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898852	1	51	0.0	-66.26	392.21	1.73	-64.53
COCC[N@@H+](C)CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898852	1	51	0.0	-66.73	392.47	1.75	-64.98
COCCCC[N@H+](C)CCC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898884	0	60	0.0	-71.97	458.91	3.74	-68.23
COCCCC[N@@H+](C)CCC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898884	1	60	0.0	-71.99	458.91	3.74	-68.25
C[NH+](C)C1(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300028898910	0	54	0.0	-65.60	394.79	3.95	-61.65
CC(CCC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028898913	0	53	0.0	-67.64	399.43	3.75	-63.89
CC[N@@H+]1CCC1C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898923	1	48	0.0	-64.17	367.00	2.73	-61.44
CC[N@H+]1CCC1C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898923	1	48	0.0	-64.95	373.75	2.93	-62.02
CC(C)[N@@H+]1CCCC(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028898936	0	57	0.0	-64.59	421.25	4.81	-59.78
CC(C)[N@H+]1CCCC(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028898936	1	57	0.0	-64.54	421.21	4.78	-59.76
O=C(C[N@H+]1CCCC1CO)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898951	0	52	0.0	-65.27	392.11	0.11	-65.16
O=C(C[N@@H+]1CCCC1CO)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898951	1	52	0.0	-64.65	396.12	0.41	-64.24
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@@H+]2C1	REAL300028898978	0	55	0.0	-63.73	409.45	4.66	-59.07
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@H+]2C1	REAL300028898978	1	55	0.0	-66.13	409.67	4.60	-61.53
C[NH+]1CCC(C)(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028898987	0	54	0.0	-66.49	399.38	3.99	-62.50
C[NH+](C)CC1=CNC(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300028898993	0	52	0.0	-70.90	408.52	3.19	-67.71
CC(C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300028899014	0	55	0.0	-66.30	413.31	0.91	-65.39
C=CCC(C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028899030	0	51	0.0	-62.99	385.83	3.49	-59.50
C[N@@H+]1CC(C)(C)CC1C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028899048	0	54	0.0	-64.86	401.97	3.65	-61.21
C[N@H+]1CC(C)(C)CC1C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028899048	1	54	0.0	-64.21	402.28	3.60	-60.61
C[NH+](C)CCCCCC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028899053	0	56	0.0	-69.93	429.01	4.85	-65.08
O=C(C[NH+]1CC2CC2C1)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028899064	0	49	0.0	-65.89	377.76	3.89	-62.00
CC1C[N@@H+]2CCN1C(C(=O)NC[C@H]1CCCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028899101	0	54	0.0	-67.65	385.46	1.61	-66.04
CC1C[N@H+]2CCN1C(C(=O)NC[C@H]1CCCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028899101	1	54	0.0	-69.91	395.30	1.07	-68.84
CCCC(C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028899102	0	53	0.0	-64.69	393.89	3.76	-60.93
C[NH+](C)C(C)(C)C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028899107	0	50	0.0	-65.28	369.55	3.03	-62.25
CC[NH+](CC)CCSCC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028899148	0	57	0.0	-70.49	440.29	4.93	-65.56
C[N@@H+]1CCCCC1C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028899160	0	51	0.0	-63.24	384.61	3.56	-59.68
C[N@H+]1CCCCC1C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028899160	1	51	0.0	-64.31	374.98	3.42	-60.89
C[N@H+]1CC=C(CC(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028899212	0	52	0.0	-68.58	401.52	4.35	-64.23
C[N@@H+]1CC=C(CC(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028899212	1	52	0.0	-67.37	401.26	4.25	-63.12
O=C(CC1([NH+]2CCCC2)CC1)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028899222	0	55	0.0	-63.69	407.36	4.74	-58.95
C[N@@H+]1CCCC(C(C)(C)C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028899281	0	60	0.0	-69.54	432.12	5.03	-64.51
C[N@H+]1CCCC(C(C)(C)C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028899281	1	60	0.0	-69.54	432.12	5.03	-64.51
CN(C)CC1=CC=C(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028899286	0	51	0.0	-70.89	406.60	3.71	-67.18
C[NH+](C)CC1=CC=C(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028899286	1	51	0.0	-70.89	406.60	3.71	-67.18
O=C(C=CC[NH+]1CCCC1)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028899310	0	52	0.0	-69.44	403.02	4.26	-65.18
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[NH+](C2CC2)CC1	REAL300028899337	0	55	0.0	-67.08	411.79	4.88	-62.20
O=C(CC[NH+]1CCCC1)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028899366	0	51	0.0	-67.16	389.53	3.59	-63.57
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+]2CCN1CC2	REAL300028899413	0	51	0.0	-70.89	378.65	0.51	-70.38
C[N@@H+]1CC2CC1(C(=O)NC[C@H]1CCCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028899424	0	49	0.0	-64.36	370.83	3.59	-60.77
O=C(C[N@@H+]1CC2CCC1C2)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028899440	0	52	0.0	-63.94	388.56	4.02	-59.92
O=C(C[N@H+]1CC2CCC1C2)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028899440	1	52	0.0	-63.94	388.56	4.02	-59.92
CC(C)[NH+]1CCC(CC(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028899452	0	60	0.0	-65.09	439.66	5.48	-59.61
O=C(C=C1C[NH+]2CCC1CC2)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028899503	0	53	0.0	-66.73	398.51	4.40	-62.33
O=C(CN1CC2C=CC1C2)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028899515	0	50	0.0	-64.02	381.39	3.88	-60.14
O=C(C[N@@H+]1CC2C=CC1C2)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028899515	1	50	0.0	-63.15	380.97	3.79	-59.36
O=C(C[N@H+]1CC2C=CC1C2)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028899515	1	50	0.0	-63.15	380.97	3.79	-59.36
CC(C[NH+](C)C)C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028899580	0	50	0.0	-67.89	380.30	3.20	-64.69
C[N@@H+]1CCCCC1CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028899682	0	54	0.0	-61.51	393.89	3.98	-57.53
C[N@H+]1CCCCC1CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028899682	1	54	0.0	-61.51	393.89	3.98	-57.53
CC1=C2C=C(C(=O)NC[C@H]3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=N1	REAL300028899705	0	49	0.0	-68.22	394.39	5.98	-62.24
CC1=C2C=C(C(=O)NC[C@H]3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300028899705	1	49	0.0	-68.22	394.39	5.98	-62.24
CC(C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)N1CC(C)C1	REAL300028899706	0	51	0.0	-63.87	390.37	3.76	-60.11
CC(C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300028899706	1	51	0.0	-63.87	390.37	3.76	-60.11
CC1CCN1CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028899710	0	48	0.0	-64.29	367.84	2.74	-61.55
CC1CC[N@@H+]1CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028899710	1	48	0.0	-64.30	367.92	2.73	-61.57
CC1CC[N@H+]1CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028899710	1	48	0.0	-64.30	367.92	2.73	-61.57
C[NH+](C)CC(O)CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028899715	0	51	0.0	-71.68	394.84	0.92	-70.76
CC1CN(C)CC(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028899753	0	52	0.0	-71.73	393.97	3.09	-68.64
CC1C[N@H+](C)CC(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028899753	1	52	0.0	-73.74	400.72	3.11	-70.63
CC1C[N@@H+](C)CC(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028899753	1	52	0.0	-73.74	400.72	3.11	-70.63
O=C(CC[NH+]1CCC(O)CC1)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028899765	0	55	0.0	-70.75	417.24	1.01	-69.74
CCC[N@@H+]1CCCCC1C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028899768	0	57	0.0	-62.67	423.78	4.99	-57.68
CCC[N@H+]1CCCCC1C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028899768	1	57	0.0	-62.67	423.78	4.99	-57.68
CC[NH+]1CCN(CCC(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028899773	0	59	0.0	-68.30	439.59	2.46	-65.84
CCN1CC[NH+](CCC(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028899773	1	59	0.0	-68.30	439.59	2.46	-65.84
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300028899776	0	58	0.0	-61.60	416.81	5.41	-56.19
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300028899776	1	58	0.0	-61.60	416.81	5.41	-56.19
CC(C)C[NH+]1CCC(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028899824	0	60	0.0	-68.71	443.13	5.67	-63.04
C[NH+](C)C1CCN(CC(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028899850	0	59	0.0	-69.87	436.14	2.75	-67.12
C[NH+](C)[C@H]1C[C@H](C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028899872	0	51	0.0	-68.14	391.68	3.66	-64.48
CC(CC[NH+](C)C)C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028899880	0	53	0.0	-69.01	402.08	3.79	-65.22
C[N@H+](CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300028899914	0	55	0.0	-64.79	413.16	1.15	-63.64
C[N@@H+](CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300028899914	1	55	0.0	-65.42	413.12	1.13	-64.29
C#CC[N@H+]1CCCCC1C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028899923	1	53	0.0	-63.32	399.81	4.53	-58.79
C#CC[N@@H+]1CCCCC1C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028899923	1	53	0.0	-63.58	399.97	4.53	-59.05
C[NH+]1CCN(CC(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028899929	1	53	0.0	-68.65	401.32	1.51	-67.14
CC[NH+]1CCN(CC(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028899938	0	56	0.0	-67.47	418.56	2.15	-65.32
NC(=[NH2+])SCC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028899970	0	42	0.0	-67.58	350.68	-1.20	-68.78
CC[N@@H+]1CCOCC1CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028900018	0	55	0.0	-69.12	410.13	2.39	-66.73
C[NH+](C)CCC1(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300028900037	0	60	0.0	-66.72	438.19	5.67	-61.05
CC1CCCC(C)[NH+]1CCC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028900039	0	60	0.0	-64.21	432.07	5.01	-59.20
C[NH+](C)C1CCC(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028900042	0	57	0.0	-70.07	420.96	4.77	-65.30
C[NH+](C)CCC1(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028900043	0	54	0.0	-67.47	417.14	4.51	-62.96
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028900047	0	57	0.0	-64.79	414.66	4.70	-60.09
C[N@@H+]1CC=CCC1CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028900048	0	52	0.0	-68.58	392.70	3.95	-64.63
C[N@H+]1CC=CCC1CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028900048	1	52	0.0	-68.58	392.70	3.95	-64.63
C[C@@H](OCC[NH+](C)C)C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028900078	0	54	0.0	-66.98	417.63	3.67	-63.31
C[NH+]1C2CCC1CC(C(=O)NC[C@H]1CCCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028900112	0	55	0.0	-66.68	402.37	4.16	-62.52
CC(C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300028900265	1	52	0.0	-66.71	395.92	3.83	-62.88
CCC1C[NH+](CC(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028900268	1	51	0.0	-67.05	394.54	3.77	-63.28
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+](C2CCOCC2)C1	REAL300028900270	0	56	0.0	-70.63	425.22	2.86	-67.77
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1([NH+]2CCCC2)CCC1	REAL300028900272	0	55	0.0	-62.44	403.72	4.39	-58.05
C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028900283	1	48	0.0	-64.84	362.10	2.58	-62.26
O=C(CC[N@@H+]1CCC(F)C1)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028900293	1	51	0.0	-71.61	395.37	3.68	-67.93
COC1C[N@@H+](C)C(C)(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028900302	1	55	0.0	-65.67	412.01	2.61	-63.06
O=C(CC[NH+]1CCCCCC1)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028900315	0	57	0.0	-68.52	416.13	4.53	-63.99
O=C(C[NH+]1CCCCC1)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028900317	0	51	0.0	-65.45	384.02	3.87	-61.58
CC1C(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028900327	0	51	0.0	-65.49	383.58	3.22	-62.27
CC1C(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028900327	1	51	0.0	-65.99	383.57	3.22	-62.77
C[N@@H+]1CCCCC1CCC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028900330	0	57	0.0	-66.72	423.18	4.82	-61.90
C[N@H+]1CCCCC1CCC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028900330	1	57	0.0	-67.03	423.76	4.93	-62.10
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+]2CCOCC12	REAL300028900366	0	53	0.0	-65.23	397.59	2.34	-62.89
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+]2CCOCC12	REAL300028900366	1	53	0.0	-65.20	397.29	2.20	-63.00
CC1=[NH+]C=C2C=CC(C(=O)NC[C@H]3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300028900374	0	49	0.0	-64.36	393.70	5.19	-59.17
CN1CCOCC1CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028900394	0	52	0.0	-64.54	385.26	1.59	-62.95
C[N@@H+]1CCOCC1CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028900394	1	52	0.0	-71.34	392.27	1.73	-69.61
C[N@H+]1CCOCC1CC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028900394	1	52	0.0	-64.54	385.26	1.59	-62.95
CC1=C(C)[NH+]=C(CCC(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300028900405	1	52	0.0	-62.45	412.54	3.29	-59.16
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCN1CC1=CC=CC=C1	REAL300028900420	0	55	0.0	-65.16	426.83	5.73	-59.43
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300028900420	1	55	0.0	-68.10	433.72	5.94	-62.16
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+]1CC1=CC=CC=C1	REAL300028900420	1	55	0.0	-65.16	426.83	5.73	-59.43
CC(C)C[N@@H+]1CCCC(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028900424	0	60	0.0	-62.58	435.13	5.90	-56.68
CC(C)C[N@H+]1CCCC(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028900424	1	60	0.0	-62.15	437.03	5.83	-56.32
C[N@H+]1CCCC1C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028900591	1	48	0.0	-68.26	367.84	3.02	-65.24
CN1CCOC(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028900617	0	49	0.0	-74.11	371.39	2.26	-71.85
C[N@@H+]1CCOC(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028900617	1	49	0.0	-75.83	370.96	2.23	-73.60
C[N@H+]1CCOC(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028900617	1	49	0.0	-74.11	371.39	2.26	-71.85
CC1=[NH+]C=CN1CCCC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028900788	1	52	0.0	-69.60	415.99	5.13	-64.47
O=C(CCCC[NH+]1CCOCC1)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028900792	1	58	0.0	-76.63	443.29	3.81	-72.82
C[NH+](C)CC1=CC=C(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300028900798	0	54	0.0	-84.15	423.84	5.37	-78.78
O=C(CC[NH+]1CCOCC1)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028900799	1	52	0.0	-76.51	400.26	2.22	-74.29
CCC[NH+](CCC)CCCC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028900824	0	62	0.0	-73.46	463.07	6.13	-67.33
O=C(NC[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1)C1=CC(=O)[N-]O1	REAL300028900841	0	52	0.0	-69.00	375.87	3.59	-65.41
O=C(NC[C@H]1CCCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1)C1=CC(=O)[N-]O1	REAL300028900859	1	46	0.0	-77.85	380.16	5.55	-72.30
C[NH+](C)C1CCCC(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028900933	0	57	0.0	-75.97	413.85	4.60	-71.37
C[N@@H+]1CCC(CC(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028900938	0	51	0.0	-74.55	391.13	3.82	-70.73
C[N@H+]1CCC(CC(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028900938	1	51	0.0	-73.89	391.49	3.83	-70.06
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028900952	0	50	0.0	-80.34	397.92	1.90	-78.44
CCC(C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028900958	0	50	0.0	-69.32	374.99	3.19	-66.13
O=C(NC[C@H]1CCCN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)C1)C1=CC(=O)[N-]O1	REAL300028900967	1	49	0.0	-86.50	401.74	3.90	-82.60
CC1CC2CCC(C(=O)N3CCC[C@H](CNC(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300028901017	0	58	0.0	-70.26	432.01	5.37	-64.89
CC1CC2CCC(C(=O)N3CCC[C@H](CNC(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300028901017	1	58	0.0	-64.21	423.89	5.54	-58.67
C[NH+](C)CCCCC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028901050	0	53	0.0	-74.55	410.35	4.35	-70.20
CC(C)C(C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028901074	0	53	0.0	-70.35	384.15	3.67	-66.68
CCC[N@H+](C)CCC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028901076	0	53	0.0	-74.44	406.62	4.17	-70.27
CCC[N@@H+](C)CCC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028901076	1	53	0.0	-74.39	406.64	4.17	-70.22
CCC[N@H+](C)CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028901082	0	50	0.0	-71.57	384.27	3.58	-67.99
CCC[N@@H+](C)CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028901082	1	50	0.0	-71.66	384.30	3.59	-68.07
O=C(NC[C@H]1CCCN(C(=O)C23CC[N@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300028901112	0	52	0.0	-73.37	378.67	2.97	-70.40
O=C(NC[C@H]1CCCN(C(=O)C23CC[N@@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300028901112	1	52	0.0	-80.22	375.38	2.87	-77.35
CCCCCC[N@H+](C)CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028901161	0	59	0.0	-72.90	448.78	5.93	-66.97
CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028901161	1	59	0.0	-72.97	448.80	5.93	-67.04
CC[NH+](CC)C(C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300028901170	0	59	0.0	-68.75	416.77	5.13	-63.62
CC1CC[NH+](CC(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028901212	0	54	0.0	-72.02	407.93	4.66	-67.36
O=C(NC[C@H]1CCCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1)C1=CC(=O)[N-]O1	REAL300028901243	1	49	0.0	-78.44	402.67	3.31	-75.13
C[NH+]1CCC(OCC(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028901252	0	55	0.0	-80.00	425.15	4.34	-75.66
O=C(NC[C@H]1CCCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300028901322	0	55	0.0	-69.15	408.78	4.78	-64.37
O=C(NC[C@H]1CCCN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300028901322	1	55	0.0	-69.00	408.84	4.78	-64.22
C[NH+](C)CC1(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028901336	0	51	0.0	-71.14	392.64	3.71	-67.43
CC1=[NH+]C=C2CCC(C(=O)N3CCC[C@H](CNC(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300028901337	1	53	0.0	-66.87	413.01	4.80	-62.07
CC(C)[NH+]1CCC(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028901349	0	57	0.0	-70.76	419.64	4.70	-66.06
CC[N@H+](C)CCC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028901388	0	50	0.0	-73.68	385.14	3.42	-70.26
CC[N@@H+](C)CCC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028901388	1	50	0.0	-73.64	385.12	3.43	-70.21
CC(C)(C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300028901421	0	57	0.0	-67.89	407.03	4.43	-63.46
O=C(NC[C@H]1CCCN(C(=O)C2C[NH+]3CCC2CC3)C1)C1=CC(=O)[N-]O1	REAL300028901440	0	52	0.0	-78.70	382.29	3.66	-75.04
C[NH+]1CCC(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028901535	0	51	0.0	-73.55	389.02	3.73	-69.82
CC(C)[C@H](C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028901558	0	53	0.0	-69.40	387.13	3.85	-65.55
O=C(NC[C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1)C1=CC(=O)[N-]O1	REAL300028901652	0	58	0.0	-73.79	433.06	5.55	-68.24
CC[NH+](CC)CC(F)C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028901699	0	53	0.0	-73.20	407.25	4.16	-69.04
C[NH+](C)CC1=C(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)SC=C1	REAL300028901700	0	51	0.0	-65.07	417.06	4.72	-60.35
CC(C)C[N@@H+]1CCC(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028901746	0	57	0.0	-72.30	427.04	5.04	-67.26
CC(C)C[N@H+]1CCC(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028901746	1	57	0.0	-72.69	427.55	5.03	-67.66
C[NH+](C)C1(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300028901750	0	51	0.0	-73.62	372.36	3.15	-70.47
CCC(C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300028901787	0	56	0.0	-64.46	407.89	4.37	-60.09
CC1CCC[N@@H+]1CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028901818	0	51	0.0	-68.68	390.31	3.94	-64.74
CC1CCC[N@H+]1CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028901818	1	51	0.0	-67.83	383.65	3.54	-64.29
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028901906	1	55	0.0	-66.89	430.70	5.35	-61.54
CC(C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300028901913	0	57	0.0	-67.27	412.85	4.54	-62.73
CC(C)[N@@H+]1CCCCC1C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028901915	0	57	0.0	-65.73	408.80	4.41	-61.32
CC(C)[N@H+]1CCCCC1C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028901915	1	57	0.0	-65.93	409.06	4.30	-61.63
CC(C)[N@@H+]1CCCC1C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028901949	0	54	0.0	-63.58	404.14	4.07	-59.51
CC(C)[N@H+]1CCCC1C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028901949	1	54	0.0	-68.77	394.89	4.37	-64.40
C[NH+](C)C(CN1C=CC=N1)C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028901955	1	54	0.0	-65.55	415.22	3.33	-62.22
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028901960	0	57	0.0	-65.54	415.22	4.30	-61.24
CC(C)[N@H+]1CCCC1CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028901960	1	57	0.0	-64.83	413.97	4.26	-60.57
O=C(NC[C@H]1CCCN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300028901961	0	58	0.0	-69.86	420.02	5.53	-64.33
O=C(NC[C@H]1CCCN(C(=O)C2CCC[N@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300028901961	1	58	0.0	-69.63	415.29	5.40	-64.23
CC(C)[C@@H](C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028901982	0	53	0.0	-70.37	384.44	3.83	-66.54
CC1CC[N@H+](CC(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028902016	0	51	0.0	-70.44	391.24	3.82	-66.62
CC1CC[N@@H+](CC(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028902016	1	51	0.0	-70.58	390.41	3.86	-66.72
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028902017	0	57	0.0	-66.68	421.55	4.29	-62.39
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028902017	1	57	0.0	-67.52	422.15	4.28	-63.24
CC1=[NH+]C=C2CC(C(=O)N3CCC[C@H](CNC(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300028902019	1	53	0.0	-69.70	413.24	4.83	-64.87
CC1(C)CC[N@H+](CC(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028902022	0	54	0.0	-70.99	410.67	4.42	-66.57
CC1(C)CC[N@@H+](CC(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028902022	1	54	0.0	-70.94	410.27	4.39	-66.55
C[N@H+](CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300028902023	0	56	0.0	-71.50	412.88	4.57	-66.93
C[N@@H+](CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300028902023	1	56	0.0	-71.37	415.18	4.74	-66.63
CC[C@@H](C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028902034	0	50	0.0	-70.13	374.63	3.20	-66.93
CC(COCC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300028902042	0	58	0.0	-70.10	443.87	4.99	-65.11
CN(CCC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300028902204	0	53	0.0	-70.37	419.95	3.86	-66.51
CC1=[NH+]C=CN1CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028902330	1	46	0.0	-67.06	374.67	3.76	-63.30
CC(C[NH+]1CCOCC1)C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028902332	0	55	0.0	-74.58	414.39	2.71	-71.87
O=C(CCC[NH+]1CCCCC1)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028902354	0	57	0.0	-72.99	430.53	5.45	-67.54
C[NH+](C)CC1=CC(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300028902375	1	50	0.0	-79.34	400.16	3.41	-75.93
CC1=C(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300028902377	0	49	0.0	-76.13	397.79	5.76	-70.37
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028902426	1	52	0.0	-65.86	410.88	4.88	-60.98
O=C(NC[C@H]1CCCN(C(=O)C2CCCC3CCC[N@@H+]32)C1)C1=CC(=O)[N-]O1	REAL300028902481	0	55	0.0	-69.67	400.65	4.60	-65.07
O=C(NC[C@H]1CCCN(C(=O)C2CCCC3CCC[N@H+]32)C1)C1=CC(=O)[N-]O1	REAL300028902481	1	55	0.0	-66.64	398.17	4.18	-62.46
CC[N@@H+]1CCOC(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028902518	1	52	0.0	-77.43	396.31	3.07	-74.36
CC[N@H+]1CCOC(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028902518	1	52	0.0	-81.73	395.64	3.04	-78.69
O=C(NC[C@H]1CCCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300028902596	0	46	0.0	-74.52	379.92	5.51	-69.01
CC1=C[NH+]=CN1CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028902601	1	46	0.0	-70.12	373.90	4.44	-65.68
C[NH+](C)CCN1C=C(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300028902606	0	54	0.0	-80.76	427.68	3.35	-77.41
C[NH+](C)CCN1C=CC(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300028902621	0	54	0.0	-89.45	426.77	3.95	-85.50
C[C@@H]1[C@H](C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028902628	0	51	0.0	-76.32	380.73	3.15	-73.17
C[C@@H]1[C@H](C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028902628	1	51	0.0	-75.55	387.29	3.58	-71.97
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028902631	1	55	0.0	-66.76	431.01	5.44	-61.32
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028902634	0	54	0.0	-73.89	398.06	3.70	-70.19
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C#CC[NH+]1CCC(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028902671	0	53	0.0	-74.40	414.15	4.96	-69.44
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CC[N@H+]1CCCCC1C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028902686	1	54	0.0	-66.17	403.46	4.43	-61.74
CC(C)C(C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300028902687	0	60	0.0	-67.93	426.32	5.68	-62.25
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CC1C(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028903459	1	51	0.0	-70.76	382.29	3.24	-67.52
C[N@@H+]1CCCCC1CCC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028903463	0	57	0.0	-75.37	418.95	4.95	-70.42
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CC(C)(C)[N@H+]1CCC1C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028903589	1	54	0.0	-67.13	388.92	3.21	-63.92
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CC(C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300028903767	1	52	0.0	-71.56	401.48	4.12	-67.44
C[N@H+]1CC=C(CC(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028903819	0	52	0.0	-69.42	404.40	4.52	-64.90
C[N@@H+]1CC=C(CC(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028903819	1	52	0.0	-66.94	404.40	4.52	-62.42
C[S+](C)CCC(O)C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028903837	0	50	0.0	-76.85	405.87	1.63	-75.22
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028903863	0	52	0.0	-69.80	386.05	-0.42	-70.22
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028903863	1	52	0.0	-69.09	384.99	-0.82	-69.91
CN1CC[N@H+](C)CC(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028903879	0	56	0.0	-69.68	417.98	2.19	-67.49
CN1CC[N@@H+](C)CC(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028903879	1	56	0.0	-69.91	415.40	2.10	-67.81
CC(C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300028903880	0	55	0.0	-70.43	413.10	0.97	-69.46
CC(C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300028903880	1	55	0.0	-67.63	413.82	1.01	-66.62
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C[N@@H+]1CCCC(O)(CC(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028903923	0	55	0.0	-70.95	412.52	2.65	-68.30
C[N@H+]1CCCC(O)(CC(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028903923	1	55	0.0	-71.67	402.81	2.47	-69.20
CC1C[NH+](CC(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028903930	1	48	0.0	-71.71	376.31	3.26	-68.45
CC[N@@H+]1CCCC(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028903938	0	54	0.0	-71.32	406.59	4.35	-66.97
CC[N@H+]1CCCC(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028903938	1	54	0.0	-72.26	407.10	4.36	-67.90
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CC[N@H+](C)CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028904108	0	47	0.0	-71.31	362.77	2.85	-68.46
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CC1=CC=C(NCCC(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)[NH+]=C1	REAL300028904207	1	53	0.0	-68.64	424.09	3.59	-65.05
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CC(OCC[NH+](C)C)C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028904368	0	54	0.0	-70.25	417.02	3.75	-66.50
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CC(C)[NH+]1CCC(CC(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028904522	0	60	0.0	-69.67	438.87	5.55	-64.12
CC(C[NH+](C)C)C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028904538	0	50	0.0	-73.30	380.60	3.21	-70.09
CCN1CCC1C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028904602	0	48	0.0	-69.82	366.71	2.72	-67.10
CC[N@@H+]1CCC1C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028904602	1	48	0.0	-70.82	376.19	3.15	-67.67
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CC(C)[N@@H+]1CCCC(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028904618	0	57	0.0	-64.08	414.20	4.98	-59.10
CC(C)[N@H+]1CCCC(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028904618	1	57	0.0	-64.08	414.20	4.98	-59.10
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C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028904920	0	54	0.0	-68.06	410.56	4.21	-63.85
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CC1C[N@@H+](C)CC(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028905093	1	52	0.0	-76.34	392.21	2.98	-73.36
CCC1CCC[N@H+](CC(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028905132	0	57	0.0	-71.86	419.03	5.24	-66.62
CCC1CCC[N@@H+](CC(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028905132	1	57	0.0	-69.53	418.59	4.81	-64.72
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O=C(C[NH+]1CC2CC2C1)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028905168	0	49	0.0	-71.62	379.60	4.00	-67.62
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CC([NH2+]C1(CO)CCCC1)C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028905208	0	58	0.0	-70.53	430.12	0.25	-70.28
C[N@@H+]1CCCCC1C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028905243	0	51	0.0	-67.96	384.67	3.70	-64.26
C[N@H+]1CCCCC1C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028905243	1	51	0.0	-71.37	377.44	3.39	-67.98
O=C(NC[C@H]1CCCN(C(=O)C2CC[N@@H+]2CC2=CC=CC=C2)C1)C1=CC(=O)[N-]O1	REAL300028905251	1	55	0.0	-69.83	428.05	5.81	-64.02
O=C(NC[C@H]1CCCN(C(=O)C2CC[N@H+]2CC2=CC=CC=C2)C1)C1=CC(=O)[N-]O1	REAL300028905251	1	55	0.0	-75.32	435.55	6.09	-69.23
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028905258	0	60	0.0	-64.07	436.69	5.86	-58.21
CC(C)C[N@H+]1CCCC(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028905258	1	60	0.0	-72.80	446.29	5.82	-66.98
C[NH+](C)C1CCN(CC(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028905328	0	59	0.0	-71.57	438.99	2.87	-68.70
C[N@@H+]1CCC(=CC(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028905408	0	49	0.0	-75.69	383.03	3.69	-72.00
C[N@H+]1CCC(=CC(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028905408	1	49	0.0	-75.52	383.04	3.72	-71.80
O=C(CNC1=CC=[NH+]C=C1)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028905415	0	47	0.0	-72.91	380.94	1.43	-71.48
CC[NH+]1CCN(CC(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028905487	0	56	0.0	-70.47	421.48	2.29	-68.18
O=C(C=C1C[NH+]2CCC1CC2)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028905490	0	53	0.0	-65.43	400.27	4.55	-60.88
C[NH+](C)C1(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300028905544	0	54	0.0	-68.01	384.99	3.25	-64.76
C[N@H+](CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300028905561	0	55	0.0	-68.49	416.05	1.38	-67.11
C[N@@H+](CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300028905561	1	55	0.0	-69.16	415.82	1.55	-67.61
CCC1C[NH+](CC(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028905569	0	51	0.0	-72.62	397.68	4.03	-68.59
O=C(NC[C@H]1CCCN(C(=O)C2C[NH+](C3CCOCC3)C2)C1)C1=CC(=O)[N-]O1	REAL300028905573	0	56	0.0	-77.61	427.38	3.07	-74.54
O=C(NC[C@H]1CCCN(C(=O)C2([NH+]3CCCC3)CCC2)C1)C1=CC(=O)[N-]O1	REAL300028905575	0	55	0.0	-71.01	399.41	4.37	-66.64
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028905592	0	48	0.0	-66.44	370.75	3.12	-63.32
C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028905592	1	48	0.0	-70.39	363.48	2.71	-67.68
CC[N@@H+]1CCOCC1CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028905634	0	55	0.0	-76.10	413.14	2.67	-73.43
O=C(NC[C@H]1CCCN(C(=O)C2C[NH+](C3CCCCC3)C2)C1)C1=CC(=O)[N-]O1	REAL300028905662	0	58	0.0	-75.29	436.37	5.48	-69.81
COC1C[N@@H+]2CCCC2(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028905683	0	56	0.0	-65.62	416.07	2.50	-63.12
COC1C[N@H+]2CCCC2(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028905683	1	56	0.0	-65.62	416.07	2.50	-63.12
NC1=NC2=CC(C(=O)N3CCC[C@H](CNC(=O)C4=CC(=O)[N-]O4)C3)=CC=C2N1	REAL300028905759	0	48	0.0	-73.18	389.83	3.10	-70.08
NC1=[NH+]C2=CC(C(=O)N3CCC[C@H](CNC(=O)C4=CC(=O)[N-]O4)C3)=CC=C2N1	REAL300028905759	1	48	0.0	-73.18	389.83	3.10	-70.08
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028905812	0	51	0.0	-72.31	394.06	3.87	-68.44
C[NH+](C)CCC1(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300028905825	0	60	0.0	-75.08	436.96	5.18	-69.90
CC1CCCC(C)[NH+]1CCC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028905827	0	60	0.0	-69.06	438.76	5.34	-63.72
C[NH+](C)C1CCC(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028905830	0	57	0.0	-73.55	423.37	4.91	-68.64
C[NH+](C)CCC1(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028905831	0	54	0.0	-73.32	416.02	4.51	-68.81
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028905836	0	57	0.0	-68.10	413.65	4.65	-63.45
C[N@@H+]1CC=CCC1CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028905837	0	52	0.0	-75.16	396.16	4.26	-70.90
C[N@H+]1CC=CCC1CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028905837	1	52	0.0	-64.77	391.26	4.22	-60.55
CC1=CC(C=CC(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=C[NH+]=C1N	REAL300028905906	1	51	0.0	-77.18	409.30	3.15	-74.03
C[NH+](C)CCOCC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028905922	0	51	0.0	-71.18	401.12	3.29	-67.89
CCCCC[N@H+](C)CCC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028905929	0	59	0.0	-75.37	449.61	5.73	-69.64
CCCCC[N@@H+](C)CCC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028905929	1	59	0.0	-75.39	449.64	5.73	-69.66
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028905943	0	55	0.0	-72.87	420.65	3.99	-68.88
[NH2+]=C1SC=CN1CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028905977	0	44	0.0	-66.75	372.30	2.33	-64.42
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028906076	0	54	0.0	-69.17	416.30	3.73	-65.44
O=C(CC[NH+]1CCCCCC1)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028906149	0	57	0.0	-75.22	419.05	4.84	-70.38
C[N@@H+]1CCCC(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028906155	0	51	0.0	-70.04	388.14	3.65	-66.39
C[N@H+]1CCCC(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028906155	1	51	0.0	-70.04	388.14	3.65	-66.39
O=C(C[NH+]1CCCCCC1)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028906163	0	54	0.0	-70.56	396.02	4.21	-66.35
CN1C=C[N+](CC(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300028906170	0	46	0.0	-68.36	376.47	5.67	-62.69
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028906189	0	60	0.0	-80.97	427.59	4.64	-76.33
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028906189	1	60	0.0	-80.97	427.59	4.64	-76.33
CN(C)CC1=CC=C(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028906195	0	51	0.0	-50.13	402.41	3.78	-46.35
C[NH+](C)CC1=CC=C(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028906195	1	51	0.0	-50.13	402.41	3.78	-46.35
O=C(CN1CCC(O)CC1)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028906223	0	52	0.0	-75.38	397.84	0.68	-74.70
O=C(C[NH+]1CCC(O)CC1)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028906223	1	52	0.0	-75.38	397.84	0.68	-74.70
C[N@H+](CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028906230	0	48	0.0	-69.18	374.46	3.57	-65.61
CC(C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1)N1CCN(C)CC1	REAL300028906232	0	56	0.0	-71.04	415.05	1.84	-69.20
CC(C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300028906232	1	56	0.0	-71.04	415.05	1.84	-69.20
O=C(CC[N@H+]1CCC(F)C1)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028906237	0	51	0.0	-78.30	399.63	4.03	-74.27
COC1C[N@H+](C)C(C)(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028906253	0	55	0.0	-66.02	407.98	2.06	-63.96
CC(CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300028906280	0	53	0.0	-73.71	402.10	4.24	-69.47
O=C(NC[C@H]1CCCN(C(=O)C2CC[N@@H+]3CCOCC23)C1)C1=CC(=O)[N-]O1	REAL300028906302	0	53	0.0	-69.60	395.26	2.39	-67.21
O=C(NC[C@H]1CCCN(C(=O)C2CC[N@H+]3CCOCC23)C1)C1=CC(=O)[N-]O1	REAL300028906302	1	53	0.0	-69.60	395.26	2.39	-67.21
CN1CCOCC1CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028906332	0	52	0.0	-68.42	388.20	1.89	-66.53
C[N@@H+]1CCOCC1CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028906332	1	52	0.0	-67.31	388.20	1.88	-65.43
C[N@H+]1CCOCC1CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028906332	1	52	0.0	-67.31	388.20	1.88	-65.43
CC1=CC(N)=NC=C1C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028906414	0	47	0.0	-74.15	376.17	1.41	-72.74
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028906414	1	47	0.0	-74.15	376.17	1.41	-72.74
CC1(O)CC[N@H+](CC(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028906480	0	52	0.0	-70.30	400.90	0.58	-69.72
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028906490	0	54	0.0	-65.15	421.02	3.37	-61.78
C[NH+]1CC(CC(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028906527	0	48	0.0	-73.19	376.47	3.03	-70.16
O=C(NC[C@H]1CCCN(C(=O)C2CC[N@@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300028906533	0	55	0.0	-69.77	409.22	4.60	-65.17
O=C(NC[C@H]1CCCN(C(=O)C2CC[N@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300028906533	1	55	0.0	-69.77	409.22	4.60	-65.17
C[N@H+](CCO)CCC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028906588	0	51	0.0	-73.08	395.42	0.21	-72.87
C[N@@H+](CCO)CCC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028906588	1	51	0.0	-73.08	395.42	0.21	-72.87
C[N@@H+]1CCCCC1CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028906615	0	54	0.0	-74.84	404.12	4.40	-70.44
C[N@H+]1CCCCC1CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028906615	1	54	0.0	-74.84	404.12	4.40	-70.44
CC1=C2C=C(C(=O)N3CCC[C@H](CNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=N1	REAL300028906648	0	49	0.0	-75.82	402.04	6.12	-69.70
CC1=C2C=C(C(=O)N3CCC[C@H](CNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300028906648	1	49	0.0	-75.82	402.04	6.12	-69.70
CC1CCN1CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028906655	0	48	0.0	-70.10	376.38	3.28	-66.82
CC1CC[N@@H+]1CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028906655	1	48	0.0	-69.34	370.85	2.98	-66.36
CC1CC[N@H+]1CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028906655	1	48	0.0	-69.34	370.85	2.98	-66.36
C[NH+](C)CC=CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028906675	0	48	0.0	-77.05	380.10	3.38	-73.67
CC1(C)CN(CC(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028906690	0	51	0.0	-71.92	395.64	3.77	-68.15
CC1(C)C[NH+](CC(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028906690	1	51	0.0	-71.92	395.64	3.77	-68.15
O=C(CCCC[NH+]1CCCCC1)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028906704	0	60	0.0	-73.24	451.99	6.22	-67.02
CC1=C(C)NC(CCC(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300028906719	0	52	0.0	-67.60	415.46	3.48	-64.12
CC1=C(C)[NH+]=C(CCC(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300028906719	1	52	0.0	-67.60	415.46	3.48	-64.12
C[NH+]1CCC(C2(C(=O)N3CCC[C@H](CNC(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300028906732	0	58	0.0	-73.25	431.24	5.51	-67.74
CC1=C2C=C(C(=O)N3CCC[C@H](CNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=N1	REAL300028906742	0	49	0.0	-75.82	402.04	6.12	-69.70
CC1=C2C=C(C(=O)N3CCC[C@H](CNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300028906742	1	49	0.0	-75.82	402.04	6.12	-69.70
C[NH+](C)CCSCC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028906754	0	51	0.0	-78.99	412.13	4.18	-74.81
NC1=NC2=C(C=C1C(=O)N1CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C1)CCCC2	REAL300028906778	0	54	0.0	-63.93	418.63	3.46	-60.47
NC1=[NH+]C2=C(C=C1C(=O)N1CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C1)CCCC2	REAL300028906778	1	54	0.0	-63.93	418.63	3.46	-60.47
O=C(C[N@H+]1CCCC1CO)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028906786	0	52	0.0	-67.75	390.86	0.72	-67.03
CC[NH+](CC)CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028906789	0	50	0.0	-69.64	376.41	3.23	-66.41
C[N@H+](CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300028906802	0	52	0.0	-76.50	404.32	4.41	-72.09
O=C(CN1CCC1)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028906804	0	45	0.0	-71.87	355.13	2.58	-69.29
O=C(C[NH+]1CCC1)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028906804	1	45	0.0	-71.87	355.13	2.58	-69.29
CC[NH+](CC)CCC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028906865	0	53	0.0	-72.68	402.98	4.12	-68.56
NC(=O)C1CC[NH+](CC(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028906891	0	55	0.0	-85.58	423.00	0.72	-84.86
C[NH+](C)CC1=CNC(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300028906948	0	52	0.0	-79.01	408.52	3.71	-75.30
CC(C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300028906973	0	55	0.0	-71.56	413.95	1.02	-70.54
O=C(NC[C@H]1CCCN(C(=O)C2CC3COCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300028906981	0	53	0.0	-74.23	399.03	2.29	-71.94
O=C(NC[C@H]1CCCN(C(=O)C2CC3COCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300028906981	1	53	0.0	-71.09	399.68	2.42	-68.67
CC(C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300028907000	1	48	0.0	-69.01	373.03	3.06	-65.95
CCC(CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300028907011	0	56	0.0	-78.37	419.98	4.85	-73.52
NC1=CC=C(C=CC(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300028907020	0	48	0.0	-75.28	391.56	2.39	-72.89
C[NH+](C)CC(C)(C)C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028907021	0	53	0.0	-74.48	385.32	3.85	-70.63
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028907100	0	51	0.0	-68.88	374.50	3.28	-65.60
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028907100	1	51	0.0	-66.92	384.31	3.70	-63.22
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028907117	0	54	0.0	-75.64	394.29	0.76	-74.88
CC1CN2CC[N@H+]1CC2C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028907117	1	54	0.0	-73.90	394.28	0.75	-73.15
C[NH+](C)CC(O)CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028907147	0	51	0.0	-77.21	397.67	1.23	-75.98
C[NH+]1C2CCC1CC(C(=O)N1CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028907150	0	55	0.0	-71.82	404.74	4.28	-67.54
C=CCC(C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028907201	0	51	0.0	-67.53	385.79	3.60	-63.93
O=C(NC[C@H]1CCCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300028907214	0	55	0.0	-69.15	408.78	4.78	-64.37
O=C(NC[C@H]1CCCN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300028907214	1	55	0.0	-69.00	408.84	4.78	-64.22
C[NH+]1CCC(C)(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028907230	0	54	0.0	-69.39	393.49	3.70	-65.69
C[NH+]1CCC(O)(CC(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028907235	0	55	0.0	-73.28	415.49	2.51	-70.77
COCC[N@@H+]1CCCC1CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028907251	0	58	0.0	-61.94	435.97	4.05	-57.89
COCC[N@H+]1CCCC1CC(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028907251	1	58	0.0	-70.36	443.42	3.66	-66.70
C[NH+]1C2CCC1CC(CC(=O)N1CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028907266	0	58	0.0	-72.73	411.12	4.67	-68.06
C[NH+](C)CCN1N=CC=C1C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028907307	0	54	0.0	-68.62	421.68	3.46	-65.16
C[NH+]1CCC(C2(C(=O)NC[C@H]3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300028907354	0	58	0.0	-65.66	430.67	5.75	-59.91
CC1=C2C=C(C(=O)NC[C@H]3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300028907366	1	49	0.0	-68.22	394.39	5.98	-62.24
C[NH+](C)CCSCC(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028907377	0	51	0.0	-72.39	409.04	3.87	-68.52
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2COCC[N@@H+]2C1	REAL300028907389	0	53	0.0	-66.02	400.65	2.27	-63.75
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2COCC[N@H+]2C1	REAL300028907389	1	53	0.0	-66.13	400.55	2.30	-63.83
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@@H+]2C)C1	REAL300028907508	0	42	0.0	-68.53	329.30	2.51	-66.02
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@H+]2C)C1	REAL300028907508	1	42	0.0	-69.27	324.94	1.95	-67.32
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@H+](C)CCO2)C1	REAL300028907529	1	43	0.0	-71.75	331.48	1.69	-70.06
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@@H+](C)CCO2)C1	REAL300028907529	1	43	0.0	-83.69	340.18	2.68	-81.01
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028907715	1	49	0.0	-65.11	390.42	5.49	-59.62
CC(C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300028907723	0	51	0.0	-66.16	374.13	4.88	-61.28
CC(C)[N@@H+]1CCCCC1C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028907726	0	51	0.0	-64.87	374.25	4.73	-60.14
CC(C)[N@H+]1CCCCC1C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028907726	1	51	0.0	-65.16	370.31	3.85	-61.31
CC(C)[N@@H+]1CCCC1C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028907762	0	48	0.0	-66.58	364.29	3.62	-62.96
CC(C)[N@H+]1CCCC1C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028907762	1	48	0.0	-66.88	363.73	3.51	-63.37
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300028907792	0	49	0.0	-74.95	372.57	4.13	-70.82
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300028907792	1	49	0.0	-70.88	372.77	4.11	-66.77
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028907832	1	46	0.0	-65.18	370.45	5.21	-59.97
CC1=[NH+]C=CN1CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028907894	1	40	0.0	-68.20	333.97	3.04	-65.16
CC(C[NH+]1CCOCC1)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028907896	0	49	0.0	-72.65	373.94	2.86	-69.79
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC[NH+]2CCCCC2)C1	REAL300028907919	0	51	0.0	-71.47	390.46	5.59	-65.88
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C1	REAL300028907960	0	51	0.0	-70.07	370.37	4.44	-65.63
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1	REAL300028907963	0	55	0.0	-73.27	411.88	5.35	-67.92
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1	REAL300028907963	1	55	0.0	-72.95	409.01	5.26	-67.69
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300028907981	0	46	0.0	-78.47	345.47	3.24	-75.23
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300028908048	0	49	0.0	-64.83	371.80	4.31	-60.52
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300028908048	1	49	0.0	-63.49	358.78	4.72	-58.77
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN(CC[NH+](C)C)N=C2)C1	REAL300028908052	0	48	0.0	-79.77	385.10	2.61	-77.16
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NN(CC[NH+](C)C)C=C2)C1	REAL300028908069	0	48	0.0	-82.02	388.19	3.00	-79.02
C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028908077	0	45	0.0	-72.65	341.80	3.67	-68.98
C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028908077	1	45	0.0	-71.66	347.85	3.17	-68.49
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028908081	1	49	0.0	-64.91	390.91	5.57	-59.34
CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028908084	0	48	0.0	-72.82	359.99	3.11	-69.71
CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028908084	1	48	0.0	-72.20	365.30	3.49	-68.71
CC[N@@H+]1CCOC(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028908114	1	46	0.0	-76.60	350.90	3.15	-73.45
CC[N@H+]1CCOC(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028908114	1	46	0.0	-75.53	351.38	2.35	-73.18
CC[NH+](CC)CC(F)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028908189	0	47	0.0	-69.14	366.33	4.21	-64.93
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(C[NH+](C)C)C=CS2)C1	REAL300028908190	0	45	0.0	-62.51	366.25	4.72	-57.79
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)C1	REAL300028908244	1	49	0.0	-77.88	383.72	2.30	-75.58
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NNC(C3CCC[N@H+]3C)=C2)C1	REAL300028908244	1	49	0.0	-77.90	389.95	2.54	-75.36
CC1CCC(C)[NH+]1CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028908319	0	48	0.0	-66.92	362.78	3.44	-63.48
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC[NH+]2CCCC2)C1	REAL300028908330	0	48	0.0	-71.16	374.80	4.89	-66.27
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(C[NH+](C)C)=CC=C2)C1	REAL300028908331	0	48	0.0	-75.30	379.68	4.57	-70.73
C#CC[NH+]1CCC(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028908341	0	47	0.0	-75.70	364.72	4.78	-70.92
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[NH+]2CCCCC2)C1	REAL300028908343	0	48	0.0	-72.53	369.71	4.00	-68.53
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC=C2C[NH+](C)C)C1	REAL300028908347	0	48	0.0	-62.65	376.72	4.57	-58.08
CC[N@@H+]1CCCCC1C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028908359	0	48	0.0	-67.86	351.75	3.33	-64.53
CC[N@H+]1CCCCC1C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028908359	1	48	0.0	-68.06	352.03	3.27	-64.79
CC(C)C(C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300028908360	0	54	0.0	-67.36	385.58	5.46	-61.90
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C2=CC=CC=C2)[NH+](C)C)C1	REAL300028908363	1	48	0.0	-69.07	369.65	5.41	-63.66
CC(C)C[N@@H+]1CCC(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028908390	0	51	0.0	-71.35	388.08	4.46	-66.89
CC(C)C[N@H+]1CCC(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028908390	1	51	0.0	-68.52	382.25	5.19	-63.33
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2([NH+](C)C)CCC2)C1	REAL300028908394	0	45	0.0	-73.47	336.84	2.89	-70.58
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@@H+]2C2CCOCC2)C1	REAL300028908397	0	53	0.0	-72.68	375.65	3.77	-68.91
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@H+]2C2CCOCC2)C1	REAL300028908397	1	53	0.0	-69.94	393.34	2.80	-67.14
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(CN2C=CC=N2)[NH+](C)C)C1	REAL300028908399	1	48	0.0	-71.28	366.96	3.78	-67.50
CC(C)[N@@H+]1CCCC1CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028908406	0	51	0.0	-63.26	374.00	5.06	-58.20
CC(C)[N@H+]1CCCC1CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028908406	1	51	0.0	-70.12	384.09	4.19	-65.93
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1	REAL300028908407	0	52	0.0	-67.23	386.45	5.00	-62.23
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@H+]2C2CCCC2)C1	REAL300028908407	1	52	0.0	-67.96	390.97	4.96	-63.00
CC(C)[C@@H](C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028908437	0	47	0.0	-70.66	349.68	3.14	-67.52
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+](C)C2CCC2)C1	REAL300028908510	0	45	0.0	-69.60	351.81	3.46	-66.14
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1	REAL300028908510	1	45	0.0	-67.81	350.90	4.47	-63.34
CC(C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300028908615	0	51	0.0	-64.00	374.29	4.67	-59.33
CN(CCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300028908700	0	47	0.0	-65.03	379.69	4.01	-61.02
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028908714	1	44	0.0	-70.17	351.83	4.02	-66.15
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028908714	1	44	0.0	-68.55	355.78	3.63	-64.92
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC2CCC[N@@H+]2C)C1	REAL300028908727	0	48	0.0	-70.95	367.01	4.38	-66.57
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC2CCC[N@H+]2C)C1	REAL300028908727	1	48	0.0	-74.41	373.13	4.07	-70.34
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300028908746	0	49	0.0	-72.52	355.73	3.29	-69.23
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300028908754	0	49	0.0	-68.03	367.33	3.92	-64.11
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300028908754	1	49	0.0	-66.71	366.70	3.92	-62.79
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1	REAL300028908766	0	52	0.0	-71.56	376.76	2.94	-68.62
CC[NH+](CC)CC1=CC=C(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028908783	0	51	0.0	-74.47	403.80	4.60	-69.87
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300028908788	0	51	0.0	-72.79	397.52	4.92	-67.87
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+](C)CC2=CC=CC=C2)C1	REAL300028908791	1	48	0.0	-75.84	382.22	5.06	-70.78
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)C1	REAL300028908791	1	48	0.0	-75.45	382.37	5.15	-70.30
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[NH+](C)CC2)C1	REAL300028908809	0	45	0.0	-76.66	348.18	3.04	-73.62
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NOC(C[NH+](C)C)=C2)C1	REAL300028908882	1	44	0.0	-75.92	362.19	3.41	-72.51
CC1=C(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300028908884	0	43	0.0	-75.12	357.81	5.05	-70.07
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300028908943	0	45	0.0	-68.29	347.41	3.14	-65.15
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC[N@H+]2C)C1	REAL300028908943	1	45	0.0	-68.74	336.35	2.66	-66.08
CC(C)C[N@@H+]1CCCC1C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028908980	0	51	0.0	-66.90	381.17	5.20	-61.70
CC(C)C[N@H+]1CCCC1C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028908980	1	51	0.0	-69.18	378.30	5.90	-63.28
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300028909168	0	40	0.0	-72.23	331.42	5.44	-66.79
CC1=[NH+]C=CN1CCCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028909184	1	46	0.0	-69.78	377.16	4.52	-65.26
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300028909188	1	52	0.0	-76.16	404.46	3.20	-72.96
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(C[NH+](C)C)C=C2)C1	REAL300028909194	0	48	0.0	-78.72	378.82	5.53	-73.19
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[NH+]2CCOCC2)C1	REAL300028909195	1	46	0.0	-75.68	361.45	1.62	-74.06
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C2=CC=CC=C2)[NH+](C)C)C1	REAL300028909217	0	51	0.0	-75.08	369.91	5.56	-69.52
CCC[NH+](CCC)CCCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028909225	0	56	0.0	-73.76	428.42	5.82	-67.94
CC[N@H+](C)C(C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300028909226	0	51	0.0	-65.79	399.41	5.57	-60.22
CC[N@@H+](C)C(C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300028909226	1	51	0.0	-63.72	397.60	6.57	-57.15
CC1=C[NH+]=CN1CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028909253	1	40	0.0	-68.26	334.56	4.83	-63.43
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2C=[NH+]C3=C2CCCC3)C1	REAL300028909267	1	47	0.0	-69.47	377.33	5.62	-63.85
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C1	REAL300028909314	0	54	0.0	-76.66	382.76	4.97	-71.69
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC=C2CC[NH+](C)C)C1	REAL300028909315	0	51	0.0	-64.33	395.82	5.45	-58.88
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[N@H+](C)C2CCCCC2)C1	REAL300028909322	0	54	0.0	-72.55	403.38	5.95	-66.60
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C1	REAL300028909322	1	54	0.0	-73.84	404.12	5.17	-68.67
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300028909328	0	46	0.0	-66.61	345.56	3.14	-63.47
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC([NH+](C)C)C2)C1	REAL300028909372	0	51	0.0	-72.05	382.06	4.08	-67.97
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CC[N@H+](C)C2)C1	REAL300028909379	0	45	0.0	-75.22	352.06	3.16	-72.06
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CC[N@@H+](C)C2)C1	REAL300028909379	1	45	0.0	-74.48	352.53	3.11	-71.37
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028909393	0	44	0.0	-79.22	353.89	2.58	-76.64
CCC(C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028909399	0	44	0.0	-66.62	325.97	3.14	-63.48
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2([NH+](C)C)CCCC2)C1	REAL300028909424	0	51	0.0	-73.38	368.82	4.78	-68.60
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300028909502	1	40	0.0	-77.68	331.67	4.61	-73.07
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)C1	REAL300028909551	1	43	0.0	-81.26	363.21	2.94	-78.32
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCCC[NH+](C)C)C1	REAL300028909587	0	47	0.0	-73.15	370.33	4.49	-68.66
CC(C)C(C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028909612	0	47	0.0	-66.89	348.64	4.05	-62.84
CCC[N@H+](C)CCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028909614	0	47	0.0	-73.91	367.30	3.53	-70.38
CCC[N@@H+](C)CCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028909614	1	47	0.0	-74.00	367.31	3.52	-70.48
CCC[N@H+](C)CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028909621	0	44	0.0	-71.56	344.81	2.88	-68.68
CCC[N@@H+](C)CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028909621	1	44	0.0	-71.66	344.80	2.87	-68.79
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300028909654	0	46	0.0	-76.07	340.88	2.47	-73.60
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300028909654	1	46	0.0	-72.87	341.78	2.48	-70.39
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1	REAL300028909729	0	42	0.0	-68.47	327.10	2.44	-66.03
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1	REAL300028909729	1	42	0.0	-67.12	320.26	2.69	-64.43
CC1CC2CCC(C(=O)N3CC(N(C)C(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300028909760	0	52	0.0	-69.73	391.20	4.60	-65.13
CC1CC2CCC(C(=O)N3CC(N(C)C(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300028909760	1	52	0.0	-64.31	384.69	5.66	-58.65
CCCCCC[N@H+](C)CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028909820	0	53	0.0	-72.75	409.30	5.21	-67.54
CCCCCC[N@@H+](C)CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028909820	1	53	0.0	-72.45	409.43	5.31	-67.14
CC[NH+](CC)C(C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300028909833	0	53	0.0	-61.18	381.93	5.51	-55.67
CC[NH+](CC)CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028909847	0	44	0.0	-68.76	336.25	3.44	-65.32
CCC[N@@H+]1CCCC(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028909879	0	51	0.0	-69.92	386.39	5.16	-64.76
CCC[N@H+]1CCCC(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028909879	1	51	0.0	-71.47	386.88	4.35	-67.12
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300028909892	0	55	0.0	-67.50	399.90	6.70	-60.80
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300028909892	1	55	0.0	-65.69	395.22	6.03	-59.66
CC(C)[N@@H+]1CCOC(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028909905	0	49	0.0	-69.31	366.09	2.84	-66.47
CC(C)[N@H+]1CCOC(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028909905	1	49	0.0	-69.27	366.18	2.74	-66.53
CC1CC[NH+](CC(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028909949	0	48	0.0	-71.28	368.29	4.04	-67.24
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300028909983	1	43	0.0	-79.29	360.08	2.55	-76.74
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)COC2CC[NH+](C)CC2)C1	REAL300028909993	0	49	0.0	-76.44	384.88	4.49	-71.95
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C[NH+](C)C)CC2)C1	REAL300028910013	0	45	0.0	-72.61	356.30	3.23	-69.38
CC1=[NH+]C=C2CCC(C(=O)N3CC(N(C)C(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300028910014	1	47	0.0	-64.46	373.17	4.10	-60.36
CC(C)[NH+]1CCC(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028910124	0	51	0.0	-73.96	382.50	4.23	-69.73
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[NH+](C)CC2)C1	REAL300028910156	0	45	0.0	-76.66	348.18	3.04	-73.62
CC(C)[C@H](C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028910177	0	47	0.0	-70.79	351.32	3.25	-67.54
CCC(C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300028910216	0	50	0.0	-63.54	366.15	4.55	-58.99
CC[N@H+](C)CCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028910320	0	44	0.0	-72.25	345.05	3.56	-68.69
CC[N@@H+](C)CCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028910320	1	44	0.0	-73.27	345.80	2.77	-70.50
CC1CCC[N@@H+]1CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028910410	0	45	0.0	-67.62	344.21	2.92	-64.70
CC1CCC[N@H+]1CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028910410	1	45	0.0	-68.36	350.67	3.23	-65.13
CC1CC[N@H+](CC(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028910413	0	45	0.0	-70.32	351.71	3.11	-67.21
CC1CC[N@@H+](CC(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028910413	1	45	0.0	-70.10	351.05	3.23	-66.87
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(F)CC[N@@H+](C(C)(C)C)C2)C1	REAL300028910414	0	51	0.0	-67.17	383.79	3.63	-63.54
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(F)CC[N@H+](C(C)(C)C)C2)C1	REAL300028910414	1	51	0.0	-66.98	385.95	3.71	-63.27
CC1=[NH+]C=C2CC(C(=O)N3CC(N(C)C(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300028910416	1	47	0.0	-70.40	372.45	4.12	-66.28
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(CC[NH+](C)C)C=C2)C1	REAL300028910418	0	51	0.0	-80.85	402.80	5.37	-75.48
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1	REAL300028910420	0	48	0.0	-69.91	370.86	4.58	-65.33
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1	REAL300028910420	1	48	0.0	-70.48	370.47	3.68	-66.80
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+](C)CC(C)(C)C)C1	REAL300028910421	0	50	0.0	-70.99	376.04	4.03	-66.96
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C1	REAL300028910421	1	50	0.0	-71.16	372.93	3.96	-67.20
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+](C)CCC2=CC=CC=C2)C1	REAL300028910422	0	51	0.0	-75.13	404.84	6.00	-69.13
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+](C)CCC2=CC=CC=C2)C1	REAL300028910422	1	51	0.0	-75.46	404.71	5.89	-69.57
CC[C@@H](C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028910434	0	44	0.0	-67.77	334.06	2.46	-65.31
CC(COCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300028910442	0	52	0.0	-67.65	403.55	5.14	-62.51
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C1	REAL300028910559	0	52	0.0	-76.83	398.25	6.02	-70.81
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C2=CC=CC=C2)C1	REAL300028910620	0	52	0.0	-76.26	404.70	5.74	-70.52
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C2=CC=CC=C2)C1	REAL300028910620	1	52	0.0	-85.45	408.36	6.54	-78.91
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2(O)CC[NH+](C)CC2)C1	REAL300028910730	0	49	0.0	-74.34	376.13	1.84	-72.50
COCC[N@@H+]1CCCC1CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028910736	0	52	0.0	-69.82	400.22	4.07	-65.75
COCC[N@H+]1CCCC1CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028910736	1	52	0.0	-72.00	396.91	3.42	-68.58
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300028910749	0	49	0.0	-74.27	379.12	0.73	-73.54
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CCCCCC2)C1	REAL300028910753	0	48	0.0	-70.43	356.65	3.52	-66.91
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N+]2=CN(C)C=C2)C1	REAL300028910758	0	40	0.0	-68.97	336.94	5.06	-63.91
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@H+](C)C2)C1	REAL300028910771	0	45	0.0	-72.46	347.70	2.95	-69.51
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@@H+](C)C2)C1	REAL300028910771	1	45	0.0	-72.80	347.82	2.87	-69.93
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300028910776	0	46	0.0	-65.04	356.74	4.67	-60.37
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300028910776	1	46	0.0	-65.76	354.81	3.64	-62.12
CC(C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300028910817	1	42	0.0	-69.06	334.73	2.42	-66.64
CCC(CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300028910829	0	50	0.0	-73.88	378.00	5.08	-68.80
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)C[NH+](C)C)C1	REAL300028910838	0	47	0.0	-72.26	349.56	2.88	-69.38
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300028910862	0	47	0.0	-65.39	355.36	4.33	-61.06
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300028910862	1	47	0.0	-70.56	358.45	4.84	-65.72
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300028910890	1	46	0.0	-75.42	358.53	0.07	-75.35
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+](C)C2CC2)C1	REAL300028910892	0	42	0.0	-68.07	334.44	3.76	-64.31
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+](C)C2CC2)C1	REAL300028910892	1	42	0.0	-68.12	335.47	3.00	-65.12
CC(C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300028910893	1	50	0.0	-70.27	374.13	1.12	-69.15
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2C[NH+](C)C2)C1	REAL300028910929	0	42	0.0	-72.63	337.48	2.43	-70.20
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300028910933	0	49	0.0	-70.63	377.41	5.30	-65.33
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300028910933	1	49	0.0	-70.12	377.26	5.12	-65.00
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@@H+]2C(C)(C)C)C1	REAL300028910942	0	48	0.0	-68.97	342.70	4.29	-64.68
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@H+]2C(C)(C)C)C1	REAL300028910942	1	48	0.0	-70.04	345.93	2.56	-67.48
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCN(C3=CC=[NH+]C=C3)C2)C1	REAL300028910954	0	48	0.0	-75.15	381.71	2.13	-73.02
CCC1CCC[N@H+](CC(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028911014	0	51	0.0	-71.49	379.50	4.54	-66.95
CCC1CCC[N@@H+](CC(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028911014	1	51	0.0	-71.58	379.52	4.53	-67.05
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(C[NH+](C)C)N2)C1	REAL300028911024	0	46	0.0	-80.92	367.89	2.84	-78.08
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CC3CCC(C2)[NH+]3C)C1	REAL300028911041	0	52	0.0	-74.33	371.17	3.97	-70.36
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC(C2=CC=CC=C2)[NH+](C)C)C1	REAL300028911048	0	51	0.0	-77.73	396.31	5.62	-72.11
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2C=CSC2=[NH2+])C1	REAL300028911092	0	38	0.0	-66.92	332.77	1.73	-65.19
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[N@H+](C)CCO)C1	REAL300028911104	0	45	0.0	-71.33	355.42	0.35	-70.98
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[N@@H+](C)CCO)C1	REAL300028911104	1	45	0.0	-72.53	355.97	-0.44	-72.97
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1	REAL300028911109	0	45	0.0	-67.17	347.10	3.07	-64.10
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1	REAL300028911109	1	45	0.0	-69.38	334.27	2.69	-66.69
CC1CN2CC[N@@H+]1CC2C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028911118	0	48	0.0	-78.23	356.31	1.20	-77.03
CC1CN2CC[N@H+]1CC2C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028911118	1	48	0.0	-75.10	355.18	0.32	-74.78
COC1C[N@@H+]2CCCC2(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028911170	0	50	0.0	-70.39	372.11	1.98	-68.41
COC1C[N@H+]2CCCC2(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028911170	1	50	0.0	-70.01	380.52	1.97	-68.04
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2=CC3=C[NH+]=CN3C=C2)C1	REAL300028911188	0	43	0.0	-69.53	359.38	6.54	-62.99
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+](C)C2CCSC2)C1	REAL300028911225	0	46	0.0	-75.95	364.25	4.60	-71.35
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+](C)C2CCSC2)C1	REAL300028911225	1	46	0.0	-76.45	365.68	3.83	-72.62
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=NC(C[NH+](C)C)=C2)C1	REAL300028911269	1	47	0.0	-71.08	376.35	2.70	-68.38
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=C2CC[N@H+](C)C2)C1	REAL300028911271	0	43	0.0	-76.05	344.34	3.09	-72.96
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=C2CC[N@@H+](C)C2)C1	REAL300028911271	1	43	0.0	-75.91	344.36	3.08	-72.83
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[NH+](C3CCCCC3)C2)C1	REAL300028911301	0	52	0.0	-69.48	391.17	5.51	-63.97
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)COCC[NH+](C)C)C1	REAL300028911322	0	45	0.0	-72.35	361.58	2.66	-69.69
CCCCC[N@H+](C)CCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028911330	0	53	0.0	-73.90	409.55	5.86	-68.04
CCCCC[N@@H+](C)CCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028911330	1	53	0.0	-74.84	410.30	5.08	-69.76
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)C1	REAL300028911342	0	49	0.0	-74.04	382.26	3.68	-70.36
C=CCC(C)(C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028911354	0	48	0.0	-71.33	348.27	3.68	-67.65
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(O)CC[S+](C)C)C1	REAL300028911359	0	44	0.0	-78.79	367.69	1.87	-76.92
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C)CC(O)C[N@@H+]2C)C1	REAL300028911397	0	46	0.0	-78.02	345.78	-0.56	-78.58
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CN(C)CC[N@H+](C)C2)C1	REAL300028911411	0	50	0.0	-69.07	374.71	0.97	-68.10
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)C1	REAL300028911411	1	50	0.0	-69.07	374.71	0.97	-68.10
CC(C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300028911412	0	49	0.0	-68.65	369.95	1.10	-67.55
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2(O)CCC[N@H+](C)C2)C1	REAL300028911441	0	49	0.0	-71.40	373.18	2.01	-69.39
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2(O)CCC[N@@H+](C)C2)C1	REAL300028911441	1	49	0.0	-71.40	373.18	2.01	-69.39
CC1CN(CC(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028911445	0	42	0.0	-71.50	337.03	2.65	-68.85
CC1C[NH+](CC(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028911445	1	42	0.0	-71.50	337.03	2.65	-68.85
CN(CCO)CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028911474	0	42	0.0	-71.75	333.79	-1.01	-72.76
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+](C)CCO)C1	REAL300028911474	1	42	0.0	-71.75	333.64	-1.11	-72.86
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+](C)CCO)C1	REAL300028911474	1	42	0.0	-71.75	333.64	-1.11	-72.86
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=C2CC3CCC(C2)[NH+]3C)C1	REAL300028911505	0	50	0.0	-71.06	378.75	5.30	-65.76
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300028911510	0	48	0.0	-76.15	353.66	0.81	-75.34
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300028911510	1	48	0.0	-76.15	353.66	0.81	-75.34
CC[N@@H+]1CCCC(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028911520	0	48	0.0	-70.88	365.36	3.61	-67.27
CC[N@H+]1CCCC(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028911520	1	48	0.0	-70.88	365.36	3.61	-67.27
CC(CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300028911522	0	47	0.0	-72.92	362.15	4.36	-68.56
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300028911571	0	49	0.0	-65.60	357.75	3.73	-61.87
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CCC[N@H+]2CCCC3)C1	REAL300028911571	1	49	0.0	-65.60	357.75	3.73	-61.87
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300028911581	0	47	0.0	-66.01	350.59	3.38	-62.63
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300028911581	1	47	0.0	-66.01	350.59	3.38	-62.63
CC[N@H+](CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028911613	0	45	0.0	-67.04	350.99	4.36	-62.68
CC[NH+](CC)CCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028911637	0	47	0.0	-72.59	359.24	3.20	-69.39
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2CC(C)(C)C2)C1	REAL300028911677	0	45	0.0	-71.41	356.32	3.17	-68.24
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CC(C)(C)C2)C1	REAL300028911677	1	45	0.0	-71.41	356.32	3.17	-68.24
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCCC[NH+]2CCCCC2)C1	REAL300028911683	0	54	0.0	-71.77	411.50	6.35	-65.42
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+]2CCC(C)(O)C2)C1	REAL300028911719	0	46	0.0	-70.20	361.74	-0.04	-70.24
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=CC[NH+](C)C)C1	REAL300028911732	0	42	0.0	-75.72	340.86	3.55	-72.17
CC(OCC[NH+](C)C)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028911762	0	48	0.0	-70.50	371.56	3.90	-66.60
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCOCC[NH+](C)C)C1	REAL300028911775	0	48	0.0	-71.67	382.36	2.35	-69.32
COCCN(C)CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028911776	0	45	0.0	-71.43	355.90	1.29	-70.14
COCC[N@H+](C)CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028911776	1	45	0.0	-72.67	355.91	1.30	-71.37
COCC[N@@H+](C)CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028911776	1	45	0.0	-72.67	355.91	1.30	-71.37
COCCCC[N@H+](C)CCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028911814	0	54	0.0	-77.77	422.48	3.37	-74.40
COCCCC[N@@H+](C)CCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028911814	1	54	0.0	-77.77	422.48	3.37	-74.40
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2([NH+](C)C)CCCC2)C1	REAL300028911841	0	48	0.0	-71.62	347.35	3.21	-68.41
CC(CCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028911844	0	47	0.0	-70.21	362.47	4.12	-66.09
CC[N@@H+]1CCC1C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028911854	1	42	0.0	-69.39	330.68	2.30	-67.09
CC[N@H+]1CCC1C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028911854	1	42	0.0	-70.88	337.25	2.47	-68.41
CC(C)[N@@H+]1CCCC(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028911870	0	51	0.0	-62.02	375.58	5.15	-56.87
CC(C)[N@H+]1CCCC(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028911870	1	51	0.0	-72.09	375.49	4.15	-67.94
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCN(C3=[NH+]C=CN3C)C2)C1	REAL300028911871	1	49	0.0	-64.43	384.98	3.95	-60.48
CC(C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300028911878	0	51	0.0	-72.66	400.12	5.44	-67.22
CC(C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300028911878	1	51	0.0	-68.73	397.85	6.45	-62.28
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+]2CCCC2CO)C1	REAL300028911887	0	46	0.0	-68.03	351.49	0.08	-67.95
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+]2CCCC2CO)C1	REAL300028911887	1	46	0.0	-69.46	359.61	0.83	-68.63
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300028911920	0	49	0.0	-74.95	372.57	4.13	-70.82
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300028911920	1	49	0.0	-70.88	372.77	4.11	-66.77
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C)CC[NH+](C)CC2)C1	REAL300028911931	0	48	0.0	-73.27	356.08	3.15	-70.12
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(C[NH+](C)C)=CN2)C1	REAL300028911938	0	46	0.0	-77.14	367.67	2.73	-74.41
CC(C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300028911960	0	49	0.0	-69.67	366.03	0.94	-68.73
C#CC1(O)CC[NH+](C(C)C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028911969	0	51	0.0	-69.36	398.84	1.44	-67.92
C=CCC(C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028911981	0	45	0.0	-70.75	351.71	3.13	-67.62
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CCC([NH+](C)C)(CC2)CC3)C1	REAL300028911993	0	55	0.0	-72.02	386.04	5.03	-66.99
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC(C)(C)C[N@@H+]2C)C1	REAL300028912001	0	48	0.0	-68.34	368.53	3.66	-64.68
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC(C)(C)C[N@H+]2C)C1	REAL300028912001	1	48	0.0	-67.81	368.73	3.47	-64.34
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCCCC[NH+](C)C)C1	REAL300028912006	0	50	0.0	-72.33	391.83	5.26	-67.07
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300028912018	0	43	0.0	-69.81	340.54	4.36	-65.45
CC1C[N@@H+](C2CCC2C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)CCO1	REAL300028912039	0	53	0.0	-68.73	402.67	4.20	-64.53
CC1C[N@H+](C2CCC2C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)CCO1	REAL300028912039	1	53	0.0	-70.66	403.69	3.56	-67.10
CC1C[N@@H+]2CCN1C(C(=O)N1CC(N(C)C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028912066	0	48	0.0	-76.98	354.72	0.41	-76.57
CC1C[N@H+]2CCN1C(C(=O)N1CC(N(C)C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028912066	1	48	0.0	-76.09	355.95	0.32	-75.77
CCCC(C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028912068	0	47	0.0	-70.77	352.20	4.07	-66.70
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)[NH+](C)C)C1	REAL300028912074	0	44	0.0	-72.32	323.56	2.86	-69.46
CC[NH+](CC)CCSCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028912122	0	51	0.0	-75.30	403.77	4.58	-70.72
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300028912134	0	45	0.0	-68.29	347.41	3.14	-65.15
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC[N@H+]2C)C1	REAL300028912134	1	45	0.0	-68.74	336.35	2.66	-66.08
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2=CC[N@H+](C)CC2)C1	REAL300028912195	0	46	0.0	-71.57	364.87	3.90	-67.67
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2=CC[N@@H+](C)CC2)C1	REAL300028912195	1	46	0.0	-70.08	364.66	3.79	-66.29
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2([NH+]3CCCC3)CC2)C1	REAL300028912208	0	49	0.0	-68.93	370.56	4.21	-64.72
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C[NH+]3CCCC3)CCCC2)C1	REAL300028912235	0	55	0.0	-75.50	398.42	5.04	-70.46
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)C2CCC[N@H+](C)C2)C1	REAL300028912274	0	54	0.0	-70.60	380.88	4.60	-66.00
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)C2CCC[N@@H+](C)C2)C1	REAL300028912274	1	54	0.0	-70.60	380.88	4.60	-66.00
CN(C)CC1=CC=C(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028912279	0	45	0.0	-78.33	367.12	3.21	-75.12
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(C[NH+](C)C)O2)C1	REAL300028912279	1	45	0.0	-78.33	367.12	3.21	-75.12
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300028912304	0	46	0.0	-74.25	365.46	4.63	-69.62
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300028912334	0	49	0.0	-73.11	371.60	5.13	-67.98
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@H+](C)CC2C(F)(F)F)C1	REAL300028912358	0	45	0.0	-88.80	351.20	3.54	-85.26
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@@H+](C)CC2C(F)(F)F)C1	REAL300028912358	1	45	0.0	-88.80	351.20	3.54	-85.26
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[NH+]2CCCC2)C1	REAL300028912364	0	45	0.0	-72.44	354.52	3.34	-69.10
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC(=O)N(C3CN(C)C3)C2)C1	REAL300028912375	0	50	0.0	-74.12	391.70	2.07	-72.05
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC(=O)N(C3C[NH+](C)C3)C2)C1	REAL300028912375	1	50	0.0	-74.12	391.70	2.07	-72.05
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CC(C2)C[N@@H+]3C)C1	REAL300028912437	0	43	0.0	-73.61	333.97	2.76	-70.85
CC1=C(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)C=NN1CC[NH+](C)C	REAL300028912453	0	51	0.0	-80.43	401.75	3.12	-77.31
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300028912456	0	46	0.0	-68.03	349.40	4.28	-63.75
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300028912456	1	46	0.0	-68.03	349.40	4.28	-63.75
CC(C)[NH+]1CCC(CC(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028912473	0	54	0.0	-68.29	402.49	5.91	-62.38
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=C2C[NH+]3CCC2CC3)C1	REAL300028912528	0	47	0.0	-68.58	361.85	3.95	-64.63
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2CC3C=CC2C3)C1	REAL300028912541	0	44	0.0	-68.46	345.26	4.34	-64.12
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300028912541	1	44	0.0	-67.17	343.90	4.19	-62.98
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300028912541	1	44	0.0	-67.17	343.90	4.19	-62.98
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C[NH+](C)C)C2=CC=CC=C2)C1	REAL300028912581	0	51	0.0	-65.54	402.93	6.36	-59.18
CC(C[NH+](C)C)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028912615	0	44	0.0	-77.86	344.56	3.52	-74.34
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CCCC[N@@H+]2C)C1	REAL300028912725	0	48	0.0	-63.75	357.98	3.61	-60.14
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CCCC[N@H+]2C)C1	REAL300028912725	1	48	0.0	-63.75	357.98	3.61	-60.14
CC1=C2C=C(C(=O)N3CC(N(C)C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=N1	REAL300028912748	0	43	0.0	-69.57	353.09	6.02	-63.55
CC1=C2C=C(C(=O)N3CC(N(C)C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300028912748	1	43	0.0	-69.57	353.09	6.02	-63.55
CC1CCN1CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028912753	0	42	0.0	-69.00	332.50	2.36	-66.64
CC1CC[N@@H+]1CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028912753	1	42	0.0	-69.55	336.82	3.47	-66.08
CC1CC[N@H+]1CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028912753	1	42	0.0	-69.55	336.82	3.47	-66.08
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC(O)C[NH+](C)C)C1	REAL300028912758	0	45	0.0	-77.10	358.32	0.62	-76.48
CC1CN(C)CC(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028912796	0	46	0.0	-84.81	361.73	3.44	-81.37
CC1C[N@H+](C)CC(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028912796	1	46	0.0	-81.97	355.32	2.63	-79.34
CC1C[N@@H+](C)CC(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028912796	1	46	0.0	-81.97	355.32	2.63	-79.34
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[NH+]2CCC(O)CC2)C1	REAL300028912809	0	49	0.0	-74.92	380.01	1.43	-73.49
CCC[N@@H+]1CCCCC1C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028912812	0	51	0.0	-67.70	375.02	4.13	-63.57
CCC[N@H+]1CCCCC1C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028912812	1	51	0.0	-67.70	375.02	4.13	-63.57
CC[NH+]1CCN(CCC(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028912816	0	53	0.0	-73.73	404.80	2.27	-71.46
CCN1CC[NH+](CCC(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028912816	1	53	0.0	-73.73	404.80	2.27	-71.46
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1	REAL300028912818	0	52	0.0	-63.52	380.65	4.78	-58.74
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1	REAL300028912818	1	52	0.0	-63.52	380.65	4.78	-58.74
CC(C)C[NH+]1CCC(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028912871	0	54	0.0	-75.34	403.89	5.91	-69.43
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2CCC([NH+](C)C)CC2)C1	REAL300028912904	0	53	0.0	-72.35	399.07	2.24	-70.11
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C1	REAL300028912929	0	45	0.0	-73.45	354.66	4.07	-69.38
CC(CC[NH+](C)C)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028912939	0	47	0.0	-71.62	362.70	4.02	-67.60
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)C1	REAL300028912976	0	49	0.0	-68.71	375.98	1.55	-67.16
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)C1	REAL300028912976	1	49	0.0	-65.49	375.89	1.74	-63.75
C#CC[N@H+]1CCCCC1C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028912986	1	47	0.0	-69.50	361.10	4.73	-64.77
C#CC[N@@H+]1CCCCC1C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028912986	1	47	0.0	-66.97	360.46	4.70	-62.27
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(CC2=CC=CC=C2)[NH+](C)C)C1	REAL300028912992	0	51	0.0	-75.69	392.88	5.39	-70.30
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2CC[NH+](C)CC2)C1	REAL300028912994	1	47	0.0	-72.26	364.75	1.04	-71.22
CC[NH+]1CCN(CC(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028913006	0	50	0.0	-71.36	382.73	1.60	-69.76
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CSC(N)=[NH2+])C1	REAL300028913037	0	36	0.0	-73.53	313.63	-1.49	-75.02
CC[N@@H+]1CCOCC1CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028913091	0	49	0.0	-71.03	368.36	2.71	-68.32
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(CC[NH+](C)C)CCCC2)C1	REAL300028913113	0	54	0.0	-79.29	400.48	4.74	-74.55
CC1CCCC(C)[NH+]1CCC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028913115	0	54	0.0	-68.80	396.12	5.45	-63.35
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC([NH+](C)C)CC2)C1	REAL300028913118	0	51	0.0	-69.82	375.86	4.06	-65.76
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(CC[NH+](C)C)CC2)C1	REAL300028913119	0	48	0.0	-77.74	378.48	3.97	-73.77
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C1	REAL300028913123	0	51	0.0	-70.12	374.47	4.94	-65.18
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CC=CC[N@@H+]2C)C1	REAL300028913124	0	46	0.0	-64.51	351.93	3.55	-60.96
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CC=CC[N@H+]2C)C1	REAL300028913124	1	46	0.0	-64.51	351.93	3.55	-60.96
C[C@@H](OCC[NH+](C)C)C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028913161	0	48	0.0	-69.70	379.04	3.10	-66.60
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC3CCC(C2)[NH+]3C)C1	REAL300028913203	0	49	0.0	-70.81	341.54	4.55	-66.26
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C3(O)CC[NH+](C)CC3)CC2)C1	REAL300028913326	0	53	0.0	-78.43	397.54	2.25	-76.18
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(CC[NH+]3CCCCC3)CC2)C1	REAL300028913354	0	55	0.0	-73.27	423.00	5.94	-67.33
CC(C(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300028913380	1	46	0.0	-70.19	358.19	4.16	-66.03
CCC1C[NH+](CC(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028913383	0	45	0.0	-71.34	357.58	4.20	-67.14
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[NH+](C3CCOCC3)C2)C1	REAL300028913385	0	50	0.0	-74.66	384.63	3.13	-71.53
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300028913387	0	49	0.0	-69.30	363.36	3.83	-65.47
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1	REAL300028913398	0	42	0.0	-65.62	320.54	2.88	-62.74
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1	REAL300028913398	1	42	0.0	-67.61	330.44	2.45	-65.16
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[N@H+]2CCC(F)C2)C1	REAL300028913408	1	45	0.0	-77.64	359.84	4.16	-73.48
COC1C[N@@H+](C)C(C)(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028913419	1	49	0.0	-74.19	368.49	1.68	-72.51
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[NH+]2CCCCCC2)C1	REAL300028913433	0	51	0.0	-72.29	377.33	5.13	-67.16
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CCCCC2)C1	REAL300028913437	0	45	0.0	-70.91	347.31	3.33	-67.58
CC1C(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028913447	0	45	0.0	-71.45	350.54	3.01	-68.44
CC1C(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028913447	1	45	0.0	-73.96	343.09	2.94	-71.02
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC2CCCC[N@@H+]2C)C1	REAL300028913450	0	51	0.0	-74.40	379.69	4.30	-70.10
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC2CCCC[N@H+]2C)C1	REAL300028913450	1	51	0.0	-75.35	379.68	4.31	-71.04
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300028913491	0	47	0.0	-75.48	363.17	1.65	-73.83
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@H+]3CCOCC23)C1	REAL300028913491	1	47	0.0	-69.84	357.04	2.94	-66.90
CC1=[NH+]C=C2C=CC(C(=O)N3CC(N(C)C(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300028913500	0	43	0.0	-68.66	352.87	5.22	-63.44
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2COCCN2C)C1	REAL300028913522	0	46	0.0	-77.59	356.82	1.39	-76.20
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2COCC[N@@H+]2C)C1	REAL300028913522	1	46	0.0	-77.26	355.50	2.15	-75.11
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2COCC[N@H+]2C)C1	REAL300028913522	1	46	0.0	-77.59	356.82	1.39	-76.20
CC1=C(C)[NH+]=C(CCC(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300028913536	1	46	0.0	-65.76	375.21	3.63	-62.13
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(CC[NH+](C)C)=CC=C2)C1	REAL300028913549	0	51	0.0	-76.17	402.22	5.41	-70.76
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCN2CC2=CC=CC=C2)C1	REAL300028913554	0	49	0.0	-73.78	393.12	6.19	-67.59
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@@H+]2CC2=CC=CC=C2)C1	REAL300028913554	1	49	0.0	-69.18	389.25	5.21	-63.97
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@H+]2CC2=CC=CC=C2)C1	REAL300028913554	1	49	0.0	-73.78	393.12	6.19	-67.59
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028913558	0	54	0.0	-66.43	398.04	5.21	-61.22
CC(C)C[N@H+]1CCCC(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028913558	1	54	0.0	-66.65	398.13	5.14	-61.51
CN(C(=O)C1CCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028913690	0	42	0.0	-64.26	328.45	3.30	-60.96
CN(C(=O)C1CCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028913690	1	42	0.0	-72.94	325.55	1.97	-70.97
CN(C(=O)C1CN(C)CCO1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028913712	0	43	0.0	-73.88	339.85	1.76	-72.12
CN(C(=O)C1C[N@H+](C)CCO1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028913712	1	43	0.0	-70.99	339.97	2.62	-68.37
CN(C(=O)C1C[N@@H+](C)CCO1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028913712	1	43	0.0	-73.88	339.85	1.76	-72.12
CC1=[NH+]C=CN1CCCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028913868	1	46	0.0	-65.13	377.14	5.25	-59.88
CN(C(=O)CCCC[NH+]1CCOCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028913872	1	52	0.0	-71.51	404.44	3.93	-67.58
CN(C(=O)C1=CC=C(C[NH+](C)C)C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028913878	0	48	0.0	-73.11	382.44	5.47	-67.64
CN(C(=O)CC[NH+]1CCOCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028913879	1	46	0.0	-70.40	361.44	2.36	-68.04
CN(C(=O)C(C)(C1=CC=CC=C1)[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028913901	0	51	0.0	-76.53	373.82	4.84	-71.69
CCC[NH+](CCC)CCCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028913909	0	56	0.0	-68.65	424.25	6.26	-62.39
CC[N@H+](C)C(C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300028913910	0	51	0.0	-61.93	394.82	6.16	-55.77
CC[N@@H+](C)C(C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300028913910	1	51	0.0	-64.15	391.79	6.49	-57.66
CN(C(=O)C12CCC[NH+]1CCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028913931	0	46	0.0	-61.89	343.58	3.71	-58.18
CN(C(=O)C1=CC2=C[NH+]=CN2C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028913951	1	40	0.0	-69.48	341.22	5.70	-63.78
CN(C(=O)C1CCCC([NH+](C)C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028914041	0	51	0.0	-65.79	374.96	3.86	-61.93
CN(C(=O)CC1CC[N@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028914048	0	45	0.0	-69.32	352.42	3.95	-65.37
CN(C(=O)CC1CC[N@@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028914048	1	45	0.0	-76.33	353.33	3.02	-73.31
CN(C)C1=CC=[NH+]C=C1C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028914062	0	44	0.0	-67.23	353.51	2.53	-64.70
CCC(C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028914068	0	44	0.0	-63.94	332.67	3.17	-60.77
CN(C(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028914078	1	43	0.0	-83.26	363.29	3.22	-80.04
CC1CC2CCC(C(=O)N(C)C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300028914136	0	52	0.0	-67.10	391.38	4.65	-62.45
CC1CC2CCC(C(=O)N(C)C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300028914136	1	52	0.0	-66.31	384.06	4.67	-61.64
CN(C(=O)CCCC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028914176	0	47	0.0	-69.64	371.53	4.49	-65.15
CC(C)C(C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028914203	0	47	0.0	-64.45	349.97	4.00	-60.45
CCC[N@H+](C)CCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028914205	0	47	0.0	-76.40	368.14	3.53	-72.87
CCC[N@@H+](C)CCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028914205	1	47	0.0	-76.64	368.09	3.44	-73.20
CCC[N@H+](C)CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028914212	0	44	0.0	-74.03	345.78	2.92	-71.11
CCC[N@@H+](C)CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028914212	1	44	0.0	-66.81	344.96	3.84	-62.97
CN(C(=O)C12CC[N@H+](C1)CCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028914245	0	46	0.0	-85.34	338.19	3.03	-82.31
CN(C(=O)C12CC[N@@H+](C1)CCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028914245	1	46	0.0	-80.73	338.95	3.04	-77.69
CCCCCC[N@H+](C)CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028914301	0	53	0.0	-75.49	410.20	5.18	-70.31
CCCCCC[N@@H+](C)CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028914301	1	53	0.0	-68.01	409.46	6.18	-61.83
CC[NH+](CC)C(C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300028914314	0	53	0.0	-62.34	379.76	5.38	-56.96
CC1CC[NH+](CC(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028914363	0	48	0.0	-74.57	369.22	4.01	-70.56
CN(C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028914397	1	43	0.0	-75.79	360.50	3.39	-72.40
CN(C(=O)COC1CC[NH+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028914407	0	49	0.0	-79.85	385.93	3.71	-76.14
CN(C(=O)C1CC2CCCC[N@@H+]2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028914483	0	49	0.0	-63.75	369.85	4.87	-58.88
CN(C(=O)C1CC2CCCC[N@H+]2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028914483	1	49	0.0	-70.92	370.74	4.13	-66.79
CN(C(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028914504	0	45	0.0	-74.15	354.89	3.01	-71.14
CC1=[NH+]C=C2CCC(C(=O)N(C)C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300028914505	1	47	0.0	-68.28	370.13	3.98	-64.30
CC(C)[NH+]1CCC(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028914518	0	51	0.0	-68.74	379.03	3.83	-64.91
CC[N@H+](C)CCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028914558	0	44	0.0	-75.82	346.59	2.69	-73.13
CC[N@@H+](C)CCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028914558	1	44	0.0	-75.89	346.59	2.70	-73.19
CN(C(=O)C(C)(C)[NH+]1CCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028914602	0	51	0.0	-73.25	368.52	4.57	-68.68
CN(C(=O)C1CC[N@@H+](C2CCCCC2)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028914605	0	55	0.0	-75.07	408.49	5.33	-69.74
CN(C(=O)C1CC[N@H+](C2CCCCC2)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028914605	1	55	0.0	-68.79	408.43	5.28	-63.51
CN(C(=O)C1C[NH+]2CCC1CC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028914623	0	46	0.0	-78.71	343.87	3.06	-75.65
CN(C(=O)C1CC[NH+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028914726	0	45	0.0	-85.55	348.39	3.80	-81.75
CC(C)[C@H](C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028914747	0	47	0.0	-64.63	349.06	3.92	-60.71
CN(C(=O)C1CC[NH+](CC2CC2)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028914855	0	52	0.0	-71.58	397.55	5.08	-66.50
CC[NH+](CC)CC(F)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028914908	0	47	0.0	-65.57	364.47	4.03	-61.54
CN(C(=O)C1=C(C[NH+](C)C)C=CS1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028914909	0	45	0.0	-62.98	366.75	3.71	-59.27
CC(C)C[N@@H+]1CCC(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028914959	0	51	0.0	-80.22	389.90	5.27	-74.95
CC(C)C[N@H+]1CCC(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028914959	1	51	0.0	-68.70	390.48	4.43	-64.27
CN(C(=O)C1([NH+](C)C)CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028914963	0	45	0.0	-65.43	333.46	3.60	-61.83
CCC(C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300028915004	0	50	0.0	-71.08	366.84	4.41	-66.67
CC1CCC[N@@H+]1CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028915037	0	45	0.0	-70.65	352.58	3.18	-67.47
CC1CCC[N@H+]1CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028915037	1	45	0.0	-70.24	345.25	2.90	-67.34
CC(C)C1=[NH+]C=CN1CCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028915149	1	49	0.0	-68.45	391.90	4.62	-63.83
CC(C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300028915157	0	51	0.0	-69.40	372.62	3.89	-65.51
CC(C)[N@@H+]1CCCCC1C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028915160	0	51	0.0	-67.26	378.28	4.01	-63.25
CC(C)[N@H+]1CCCCC1C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028915160	1	51	0.0	-66.42	377.18	3.94	-62.48
CC(C)[N@@H+]1CCCC1C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028915196	0	48	0.0	-69.79	357.46	3.92	-65.87
CC(C)[N@H+]1CCCC1C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028915196	1	48	0.0	-71.21	356.31	3.89	-67.32
CN(C(=O)C1CCC[N@@H+]1C1CCOCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028915205	0	53	0.0	-73.46	394.23	2.91	-70.55
CN(C(=O)C1CCC[N@H+]1C1CCOCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028915205	1	53	0.0	-73.77	394.97	2.90	-70.87
CN(C(=O)C(CN1C=CC=N1)[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028915207	1	48	0.0	-67.92	376.08	2.55	-65.37
CC(C)[N@@H+]1CCCC1CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028915214	0	51	0.0	-67.39	376.76	3.67	-63.72
CC(C)[N@H+]1CCCC1CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028915214	1	51	0.0	-66.38	377.49	3.67	-62.71
CN(C(=O)C1CCC[N@@H+]1C1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028915215	0	52	0.0	-70.07	385.15	4.85	-65.22
CN(C(=O)C1CCC[N@H+]1C1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028915215	1	52	0.0	-72.13	380.38	4.95	-67.18
CC(C)[C@@H](C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028915245	0	47	0.0	-71.29	349.31	3.05	-68.24
CC1CC[N@H+](CC(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028915283	0	45	0.0	-73.29	351.82	3.27	-70.02
CC1CC[N@@H+](CC(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028915283	1	45	0.0	-65.33	351.37	4.06	-61.27
CN(C(=O)C1(F)CC[N@@H+](C(C)(C)C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028915284	0	51	0.0	-68.14	383.18	3.67	-64.47
CN(C(=O)C1(F)CC[N@H+](C(C)(C)C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028915284	1	51	0.0	-68.85	383.65	3.66	-65.19
CC1=[NH+]C=C2CC(C(=O)N(C)C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300028915286	1	47	0.0	-71.50	370.66	4.03	-67.47
CN(C(=O)C1=CC=C(CC[NH+](C)C)C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028915288	0	51	0.0	-74.34	404.95	6.32	-68.02
CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028915290	0	48	0.0	-73.50	372.10	3.76	-69.74
CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028915290	1	48	0.0	-73.29	371.52	3.68	-69.61
CN(C(=O)C[N@H+](C)CC(C)(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028915291	0	50	0.0	-66.02	375.52	4.98	-61.04
CN(C(=O)C[N@@H+](C)CC(C)(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028915291	1	50	0.0	-74.00	376.10	3.92	-70.08
CN(C(=O)C[N@H+](C)CCC1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028915292	0	51	0.0	-71.12	404.87	6.86	-64.26
CN(C(=O)C[N@@H+](C)CCC1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028915292	1	51	0.0	-78.11	405.61	5.87	-72.24
CC[C@@H](C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028915304	0	44	0.0	-63.86	333.90	3.21	-60.65
CC(COCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300028915312	0	52	0.0	-65.55	404.75	5.13	-60.42
CN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1C1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028915325	0	52	0.0	-79.52	409.39	5.75	-73.77
CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028915325	1	52	0.0	-75.57	407.52	5.66	-69.91
CN(CCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300028915498	0	47	0.0	-71.66	381.28	3.22	-68.44
CC1=[NH+]C=CN1CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028915639	1	40	0.0	-63.16	335.60	3.91	-59.25
CC(C[NH+]1CCOCC1)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028915641	0	49	0.0	-76.24	372.52	2.01	-74.23
CN(C(=O)CCC[NH+]1CCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028915664	0	51	0.0	-74.85	391.59	4.75	-70.10
CN(C(=O)C1=NOC(C[NH+](C)C)=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028915690	1	44	0.0	-77.11	362.24	3.67	-73.44
CC1=C(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300028915692	0	43	0.0	-74.87	359.37	5.19	-69.68
CC(C)C1=[NH+]C=CN1CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028915756	1	46	0.0	-61.66	371.81	5.04	-56.62
CN(C(=O)C1CCCC2CCC[N@@H+]21)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028915821	0	49	0.0	-69.56	358.50	3.64	-65.92
CN(C(=O)C1CCCC2CCC[N@H+]21)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028915821	1	49	0.0	-70.81	362.87	3.94	-66.87
CC[N@@H+]1CCOC(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028915871	1	46	0.0	-65.30	349.14	3.04	-62.26
CC[N@H+]1CCOC(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028915871	1	46	0.0	-83.76	356.25	2.44	-81.32
CN(C(=O)C1=CN2C=[NH+]C=C2C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028915965	0	40	0.0	-74.54	333.47	4.66	-69.88
CC1=C[NH+]=CN1CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028915970	1	40	0.0	-73.25	335.26	3.82	-69.43
CN(C(=O)C1=CN(CC[NH+](C)C)N=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028915976	0	48	0.0	-75.86	385.10	3.44	-72.42
CN(C(=O)C1=NN(CC[NH+](C)C)C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028915993	0	48	0.0	-85.39	388.29	3.27	-82.12
C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028916001	0	45	0.0	-78.16	341.50	2.44	-75.72
C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028916001	1	45	0.0	-75.16	347.70	3.05	-72.11
CCC1=[NH+]C=CN1C(C)CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916005	1	49	0.0	-68.97	392.45	4.68	-64.29
CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028916008	0	48	0.0	-69.79	363.11	3.08	-66.71
CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028916008	1	48	0.0	-75.54	364.32	3.39	-72.15
CC1CCC(C)[NH+]1CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916040	0	48	0.0	-70.44	363.72	3.43	-67.01
CN(C(=O)CCC[NH+]1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916051	0	48	0.0	-74.56	376.37	4.10	-70.46
CN(C(=O)C1=CC(C[NH+](C)C)=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916052	0	48	0.0	-69.53	382.46	5.47	-64.06
C#CC[NH+]1CCC(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028916063	0	47	0.0	-72.72	373.03	4.02	-68.70
CN(C(=O)CC[NH+]1CCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916065	0	48	0.0	-75.10	370.09	3.94	-71.16
CN(C(=O)C1=CC=CC=C1C[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916070	0	48	0.0	-63.07	374.47	5.45	-57.62
CC[N@@H+]1CCCCC1C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916082	0	48	0.0	-69.11	364.81	3.75	-65.36
CC[N@H+]1CCCCC1C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916082	1	48	0.0	-68.26	363.84	3.71	-64.55
CC(C)C(C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300028916083	0	54	0.0	-70.56	388.68	4.47	-66.09
CN(C(=O)C(C1=CC=CC=C1)[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916086	1	48	0.0	-70.05	377.60	4.62	-65.43
CN(C(=O)CN1C=[NH+]C2=C1CCCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916096	1	47	0.0	-72.38	377.99	5.62	-66.76
CN(C(=O)C1(C[NH+](C)C)CCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916144	0	54	0.0	-65.12	382.89	5.26	-59.86
CN(C(=O)C1=CC=CC=C1CC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916145	0	51	0.0	-65.44	401.27	6.22	-59.22
CN(C(=O)CC[N@H+](C)C1CCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916152	0	54	0.0	-76.92	404.90	5.07	-71.85
CN(C(=O)CC[N@@H+](C)C1CCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916152	1	54	0.0	-76.75	404.91	5.06	-71.69
CN(C(=O)CC1([NH+](C)C)CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916156	0	51	0.0	-77.51	370.31	3.89	-73.62
CN(C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916173	1	49	0.0	-74.37	389.31	3.69	-70.68
CN(C(=O)C1=NNC(C2CCC[N@H+]2C)=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916173	1	49	0.0	-74.27	388.88	3.71	-70.56
CN(C(=O)C[N@H+](C)C1CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916446	0	45	0.0	-64.47	352.41	4.29	-60.18
CN(C(=O)C[N@@H+](C)C1CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916446	1	45	0.0	-71.93	352.58	3.40	-68.53
CC(C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300028916488	0	51	0.0	-59.79	375.92	4.64	-55.15
CC[NH+](CC)CC1=CC=C(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028916505	0	51	0.0	-77.99	404.20	4.70	-73.29
CN(C(=O)CCCC[NH+]1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916510	0	51	0.0	-74.69	397.87	4.88	-69.81
CN(C(=O)C[N@H+](C)CC1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916513	1	48	0.0	-78.68	383.21	5.11	-73.57
CN(C(=O)C[N@@H+](C)CC1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916513	1	48	0.0	-69.61	382.77	5.91	-63.70
CN(C(=O)C1CC[NH+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916531	0	45	0.0	-85.55	348.39	3.80	-81.75
CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916616	0	42	0.0	-63.63	328.90	3.19	-60.44
CN(C(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916616	1	42	0.0	-64.04	325.01	2.85	-61.19
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916638	1	44	0.0	-70.54	351.92	3.17	-67.37
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916638	1	44	0.0	-66.59	357.59	3.55	-63.04
CN(C(=O)CCC1CCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916651	0	48	0.0	-73.39	368.49	3.57	-69.82
CN(C(=O)CCC1CCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916651	1	48	0.0	-72.98	368.45	3.59	-69.39
CN(C(=O)C12CCC[NH+](CCC1)C2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916670	0	49	0.0	-69.69	353.81	3.01	-66.68
CN(C(=O)C1CCC2CCCC[N@@H+]21)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916678	0	49	0.0	-63.76	373.78	4.32	-59.44
CN(C(=O)C1CCC2CCCC[N@H+]21)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916678	1	49	0.0	-69.42	365.48	4.02	-65.40
CCC[N@@H+]1CCCC(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028916795	0	51	0.0	-67.02	379.16	4.46	-62.56
CCC[N@H+]1CCCC(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028916795	1	51	0.0	-73.53	385.32	4.29	-69.24
CN(C(=O)C1CCCC[N@@H+]1C1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916808	0	55	0.0	-69.20	396.27	5.14	-64.06
CN(C(=O)C1CCCC[N@H+]1C1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916808	1	55	0.0	-69.19	394.94	5.02	-64.17
CC(C)[N@@H+]1CCOC(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028916821	1	49	0.0	-80.08	373.34	2.92	-77.16
CC(C)[N@H+]1CCOC(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028916821	1	49	0.0	-80.68	375.14	2.99	-77.69
CN(C(=O)C(C)(C)C[NH+]1CCOCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916845	0	52	0.0	-76.00	376.99	2.73	-73.27
CN(C(=O)C1CCCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916868	0	45	0.0	-69.26	345.95	3.05	-66.21
CN(C(=O)C1CCCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916868	1	45	0.0	-69.49	345.86	2.96	-66.53
CC(C)C[N@@H+]1CCCC1C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916906	0	51	0.0	-70.26	387.56	4.50	-65.76
CC(C)C[N@H+]1CCCC1C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916906	1	51	0.0	-62.68	387.31	5.34	-57.34
CN(C(=O)C[NH+]1CCC(CO)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916928	0	49	0.0	-75.54	380.34	0.74	-74.80
CN(C(=O)C=C1CC2CCC(C1)[NH+]2C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916974	0	50	0.0	-72.59	378.65	4.40	-68.19
CC1C(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028916996	0	45	0.0	-74.15	348.75	2.77	-71.38
CC1C(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028916996	1	45	0.0	-67.31	342.68	3.59	-63.72
CN(C(=O)CCC1CCCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917000	0	51	0.0	-72.96	387.84	4.37	-68.59
CN(C(=O)CCC1CCCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917000	1	51	0.0	-77.03	380.52	4.27	-72.76
CN(C(=O)C1=CC2=C(CCC2)[NH+]=C1N)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917046	1	45	0.0	-58.70	360.53	3.05	-55.65
CN(C(=O)C1CC[N@@H+]1C(C)(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917142	0	48	0.0	-63.70	347.76	3.40	-60.30
CN(C(=O)C1CC[N@H+]1C(C)(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917142	1	48	0.0	-70.23	367.58	3.21	-67.02
CN(C(=O)C1CCN(C2=CC=[NH+]C=C2)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917163	0	48	0.0	-70.34	378.89	1.77	-68.57
CN(C(=O)C1=CC=NC(C[NH+](C)C)=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917190	1	47	0.0	-65.67	377.46	3.61	-62.06
C=CCC(C)(C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028917196	0	48	0.0	-59.51	350.40	3.89	-55.62
CC[NH+](CC)CCSCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917235	0	51	0.0	-69.72	404.31	5.38	-64.34
CN(C(=O)C1=C(N)C2=CC=CC=C2[NH+]=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917236	1	44	0.0	-58.73	358.18	2.45	-56.28
CN(C(=O)CC[NH+]1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917241	0	45	0.0	-75.34	354.82	3.18	-72.16
CN(C(=O)C[N@H+](C)CCO)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917249	1	42	0.0	-67.08	333.82	-0.14	-67.22
CN(C(=O)C[N@@H+](C)CCO)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917249	1	42	0.0	-74.64	334.34	-1.16	-75.80
CN(C(=O)C1C[N@@H+]2CCN1CCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917299	0	48	0.0	-83.37	349.59	0.88	-82.49
CN(C(=O)C1C[N@H+]2CCN1CCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917299	1	48	0.0	-83.46	349.37	0.74	-82.72
CC(C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300028917347	1	46	0.0	-80.52	356.72	3.84	-76.68
CN(C(=O)CC1=CC[N@H+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917408	0	46	0.0	-72.35	365.59	3.92	-68.43
CN(C(=O)CC1=CC[N@@H+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917408	1	46	0.0	-67.84	364.86	4.79	-63.05
CN(C(=O)C1CC(=O)N(C2C[NH+](C)C2)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917422	1	50	0.0	-78.92	391.51	2.14	-76.78
CN(C(=O)C(O)CC[S+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917430	0	44	0.0	-85.74	366.71	1.68	-84.06
CN(C(=O)C1(C)CC(O)C[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917463	0	46	0.0	-71.09	346.54	-1.02	-72.11
CN(C(=O)C1(C)CC(O)C[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917463	1	46	0.0	-71.51	347.83	-1.00	-72.51
CN(C(=O)C1CN(C)CC[N@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917481	0	50	0.0	-73.29	373.47	1.45	-71.84
CN(C(=O)C1CN(C)CC[N@@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917481	1	50	0.0	-77.52	377.00	1.42	-76.10
CC(C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300028917482	0	49	0.0	-72.51	373.87	0.53	-71.98
CC(C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300028917482	1	49	0.0	-72.40	373.93	0.63	-71.77
CN(C(=O)C1=C(N)[NH+]=CC2=C1CCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917520	0	45	0.0	-71.64	367.29	2.13	-69.51
CN(C(=O)CC1(O)CCC[N@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917530	0	49	0.0	-68.28	376.94	1.88	-66.40
CN(C(=O)CC1(O)CCC[N@@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917530	1	49	0.0	-68.82	367.26	1.69	-67.13
CC1C[NH+](CC(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028917537	1	42	0.0	-74.69	336.57	2.58	-72.11
CC[N@@H+]1CCCC(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028917545	0	48	0.0	-66.68	357.97	3.79	-62.89
CC[N@H+]1CCCC(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028917545	1	48	0.0	-68.33	366.15	3.50	-64.83
CN(C(=O)CC1=CC=C[NH+]=C1N)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917561	0	41	0.0	-69.16	340.77	1.35	-67.81
CN(C(=O)C1CCC[N@@H+]1C1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917577	0	46	0.0	-63.67	362.24	3.78	-59.89
CN(C(=O)C1CCC[N@H+]1C1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917577	1	46	0.0	-70.82	355.70	3.36	-67.46
CC1C[N@@H+](C2CCC2C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CCO1	REAL300028917614	0	53	0.0	-62.89	398.27	4.42	-58.47
CC1C[N@H+](C2CCC2C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CCO1	REAL300028917614	1	53	0.0	-73.57	408.59	3.32	-70.25
CN(C(=O)C1=CC=C(C[NH+]2CCCC2)O1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917635	0	49	0.0	-79.45	394.07	4.46	-74.99
CN(C(=O)C=CC[NH+]1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917642	0	46	0.0	-69.78	367.65	4.76	-65.02
CN(C(=O)C1CC[NH+](C2CC2)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917676	0	49	0.0	-82.74	373.32	5.00	-77.74
CN(C(=O)CN1CC2C=CC1C2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917819	0	44	0.0	-72.10	345.93	3.53	-68.57
CN(C(=O)C[N@@H+]1CC2C=CC1C2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917819	1	44	0.0	-71.93	346.27	3.50	-68.43
CN(C(=O)C[N@H+]1CC2C=CC1C2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917819	1	44	0.0	-71.93	346.27	3.50	-68.43
CC1=CC=C(NCCC(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)N=C1	REAL300028917846	0	47	0.0	-63.41	385.03	3.74	-59.67
CC1=CC=C(NCCC(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)[NH+]=C1	REAL300028917846	1	47	0.0	-63.41	385.03	3.74	-59.67
CN(C(=O)C1(C[NH+]2CCCC2)CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917903	0	55	0.0	-73.78	395.16	5.39	-68.39
CN(C(=O)C1C[NH+]2CCN1CC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917934	0	45	0.0	-68.55	338.99	0.41	-68.14
CN(C(=O)C12CCC[N@@H+]1CCCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918006	0	49	0.0	-67.33	354.09	3.20	-64.13
CN(C(=O)C12CCC[N@H+]1CCCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918006	1	49	0.0	-61.24	354.67	4.00	-57.24
CN(C(=O)C12CCC[N@@H+]1CC=CC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918018	0	47	0.0	-68.05	348.05	3.30	-64.75
CN(C(=O)C12CCC[N@H+]1CC=CC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918018	1	47	0.0	-60.84	346.14	3.92	-56.92
CC(OCC[NH+](C)C)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918034	0	48	0.0	-66.29	376.72	3.88	-62.41
CN(C(=O)CCOCC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918048	0	48	0.0	-67.32	382.99	3.14	-64.18
COCC[N@H+](C)CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918050	1	45	0.0	-74.44	356.59	1.25	-73.19
COCC[N@@H+](C)CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918050	1	45	0.0	-67.09	356.07	2.27	-64.82
CN(C(=O)C1C[NH+](C2CCOC2)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918053	0	47	0.0	-71.41	371.45	2.63	-68.78
CC(CCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028918059	0	47	0.0	-67.73	363.45	4.08	-63.65
CN(C(=O)C=C1CC[NH+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918090	0	46	0.0	-70.68	359.00	4.62	-66.06
CC[N@H+](CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028918105	0	45	0.0	-69.97	355.14	3.56	-66.41
CC[N@@H+](CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028918105	1	45	0.0	-63.39	352.26	4.33	-59.06
CN(C(=O)C1([NH+](C)C)CCCSC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918110	0	49	0.0	-80.64	361.75	3.69	-76.95
CC1C[N@@H+]2CCN1C(C(=O)N(C)C1CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028918125	0	48	0.0	-70.70	355.17	1.10	-69.60
CC1C[N@H+]2CCN1C(C(=O)N(C)C1CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028918125	1	48	0.0	-82.35	355.34	0.21	-82.14
CN(C(=O)C12CC(C1)C[N@@H+]2C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918166	0	43	0.0	-61.73	332.10	3.60	-58.13
CN(C(=O)C12CC(C1)C[N@H+]2C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918166	1	43	0.0	-78.83	332.44	3.45	-75.38
CC1=[NH+]C(N)=CC=C1C=CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918180	1	45	0.0	-73.28	370.65	2.13	-71.15
CC1=C(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C=NN1CC[NH+](C)C	REAL300028918187	0	51	0.0	-76.74	403.55	3.95	-72.79
CN(C(=O)C[N@@H+]1CC2CCC1C2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918190	0	46	0.0	-63.72	352.83	4.42	-59.30
CN(C(=O)C[N@H+]1CC2CCC1C2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918190	1	46	0.0	-71.92	352.97	3.61	-68.31
CC(C)[NH+]1CCC(CC(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028918211	0	54	0.0	-71.56	400.41	4.88	-66.68
CC(C[NH+](C)C)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918228	0	44	0.0	-64.21	339.39	3.43	-60.78
CN(C(=O)C1C[N@H+](C)CC1C(F)(F)F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918246	0	45	0.0	-86.14	359.85	3.50	-82.64
CN(C(=O)C1C[N@@H+](C)CC1C(F)(F)F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918246	1	45	0.0	-78.67	365.57	3.08	-75.59
CN(C(=O)C1([NH+](C)C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918250	0	42	0.0	-74.39	327.99	2.10	-72.29
CC[N@@H+]1CCC1C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918295	1	42	0.0	-73.29	336.57	2.27	-71.02
CC[N@H+]1CCC1C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918295	1	42	0.0	-71.37	329.77	2.16	-69.21
CC(C)[N@@H+]1CCCC(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028918316	0	51	0.0	-66.17	374.34	4.24	-61.93
CC(C)[N@H+]1CCCC(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028918316	1	51	0.0	-77.98	382.80	4.94	-73.04
CN(C(=O)C1CCN(C2=[NH+]C=CN2C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918318	1	49	0.0	-66.16	388.27	3.72	-62.44
CCC(C)(C)[NH2+]C(C)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918347	0	50	0.0	-64.27	369.38	2.92	-61.35
C#CC[N@H+]1CCCCC1C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918411	1	47	0.0	-63.05	363.90	4.91	-58.14
C#CC[N@@H+]1CCCCC1C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918411	1	47	0.0	-70.24	372.37	4.30	-65.94
CNC1=[NH+]C(C)=CC=C1C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918415	1	44	0.0	-59.31	356.43	2.93	-56.38
CN(C(=O)C1=C[NH+]=CC=C1N)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918417	0	38	0.0	-64.20	315.27	0.29	-63.91
CN(C(=O)C(CC1=CC=CC=C1)[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918423	0	51	0.0	-67.77	390.25	6.12	-61.65
CCCC(C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028918434	0	47	0.0	-64.66	355.63	4.02	-60.64
CN(C(=O)C(C)(C)[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918444	0	44	0.0	-78.00	326.71	2.78	-75.22
CC(CC[NH+](C)C)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918472	0	47	0.0	-69.15	361.29	3.93	-65.22
CN(C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918545	0	52	0.0	-74.85	371.94	4.03	-70.82
CN(C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918545	1	52	0.0	-66.19	376.38	4.72	-61.47
CN(C(=O)C12CC(C1)C[N@@H+]2C1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918586	0	47	0.0	-59.52	362.04	4.88	-54.64
CN(C(=O)C12CC(C1)C[N@H+]2C1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918586	1	47	0.0	-72.06	353.91	4.68	-67.38
COCCCC[N@H+](C)CCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918643	0	54	0.0	-80.54	423.26	3.27	-77.27
COCCCC[N@@H+](C)CCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918643	1	54	0.0	-80.55	423.26	3.29	-77.26
CN(C(=O)C12CCC([NH+](C)C)(CC1)CC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918649	0	55	0.0	-85.92	386.33	5.02	-80.90
CN(C(=O)C1CC(C)(C)C[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918658	0	48	0.0	-70.01	368.34	3.52	-66.49
CN(C(=O)C1CC(C)(C)C[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918658	1	48	0.0	-69.85	368.73	3.48	-66.37
CN(C(=O)CCCCC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918664	0	50	0.0	-69.49	393.03	5.26	-64.23
CN(C(=O)CC[NH+]1CCC(O)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918670	0	49	0.0	-70.97	381.26	1.43	-69.54
CCC[N@@H+]1CCCCC1C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918676	0	51	0.0	-71.52	378.56	4.14	-67.38
CCC[N@H+]1CCCCC1C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918676	1	51	0.0	-61.38	385.93	5.30	-56.08
CC[NH+]1CCN(CCC(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028918686	0	53	0.0	-75.30	404.60	2.09	-73.21
CCN1CC[NH+](CCC(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028918686	1	53	0.0	-68.58	404.78	3.01	-65.57
CN(C(=O)CN1CC[NH+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918689	1	47	0.0	-68.87	365.12	1.81	-67.06
CC(C)C[NH+]1CCC(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028918842	0	54	0.0	-70.75	404.57	4.93	-65.82
CC1C[N@H+](C)CC(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028918846	1	46	0.0	-83.54	353.14	2.40	-81.14
CC1C[N@@H+](C)CC(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028918846	1	46	0.0	-75.43	352.99	2.23	-73.20
CCC1CCC[N@H+](CC(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028918890	0	51	0.0	-74.32	380.51	4.60	-69.72
CCC1CCC[N@@H+](CC(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028918890	1	51	0.0	-74.19	387.51	4.63	-69.56
CN(C(=O)C1=CC=C(C[NH+](C)C)N1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918902	0	46	0.0	-70.12	367.99	4.05	-66.07
CN(C(=O)C[NH+]1CC2CC2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918928	0	43	0.0	-74.31	341.82	3.30	-71.01
CN(C(=O)CC1([NH+]2CCCC2)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918953	0	49	0.0	-63.66	371.21	5.10	-58.56
CC([NH2+]C1(CO)CCCC1)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918978	0	52	0.0	-68.74	386.59	-0.70	-69.44
CN(C(=O)C1CCCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919019	0	45	0.0	-69.26	345.95	3.05	-66.21
CN(C(=O)C1CCCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919019	1	45	0.0	-69.49	345.86	2.96	-66.53
CN(C(=O)C1CC[N@@H+]1CC1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919028	1	49	0.0	-73.44	387.20	4.99	-68.45
CN(C(=O)C1CC[N@H+]1CC1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919028	1	49	0.0	-77.55	397.62	5.48	-72.07
CC(C)C[N@@H+]1CCCC(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028919035	0	54	0.0	-68.50	404.73	5.01	-63.49
CC(C)C[N@H+]1CCCC(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028919035	1	54	0.0	-64.03	395.77	5.22	-58.81
CN(C(=O)CN1CCC([NH+](C)C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919121	0	53	0.0	-69.47	399.44	3.00	-66.47
CN(C(=O)C=C1CC[N@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919212	0	43	0.0	-77.12	344.57	3.08	-74.04
CN(C(=O)C=C1CC[N@@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919212	1	43	0.0	-77.28	344.57	3.08	-74.20
CN(C(=O)CNC1=CC=[NH+]C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919220	0	41	0.0	-65.88	341.89	1.58	-64.30
CC[NH+]1CCN(CC(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028919296	0	50	0.0	-67.58	382.86	2.49	-65.09
CN(C(=O)C=C1C[NH+]2CCC1CC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919301	0	47	0.0	-67.91	361.48	4.73	-63.18
CN(C(=O)C1([NH+](C)C)CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919360	0	48	0.0	-76.54	347.36	3.39	-73.15
CN(C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919376	0	49	0.0	-72.72	377.49	0.64	-72.08
CN(C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919376	1	49	0.0	-68.87	377.02	0.91	-67.96
CCC1C[NH+](CC(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028919384	0	45	0.0	-75.05	359.15	3.27	-71.78
CN(C(=O)C1C[NH+](C2CCOCC2)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919388	0	50	0.0	-80.28	388.48	2.32	-77.96
CN(C(=O)C1([NH+]2CCCC2)CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919391	0	49	0.0	-72.91	361.59	3.90	-69.01
CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919408	0	42	0.0	-72.75	326.15	2.09	-70.66
CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919408	1	42	0.0	-62.93	330.68	3.15	-59.78
CC[N@@H+]1CCOCC1CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919453	0	49	0.0	-78.16	374.36	2.06	-76.10
CN(C(=O)C1=CC(=O)NC2=C1CCC[NH2+]2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919462	0	46	0.0	-91.50	374.71	0.86	-90.64
CN(C(=O)C1C[NH+](C2CCCCC2)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919486	0	52	0.0	-78.01	397.26	4.70	-73.31
COC1C[N@@H+]2CCCC2(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028919508	0	50	0.0	-67.85	377.37	1.90	-65.95
COC1C[N@H+]2CCCC2(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028919508	1	50	0.0	-67.85	377.37	1.90	-65.95
CN(C(=O)C1=CC=C2NC(N)=NC2=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919590	0	42	0.0	-64.27	348.56	3.22	-61.05
CN(C(=O)C1=CC=C2NC(N)=[NH+]C2=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919590	1	42	0.0	-64.27	348.56	3.22	-61.05
CN(C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919652	0	45	0.0	-74.05	355.66	3.15	-70.90
CN(C(=O)C1(CC[NH+](C)C)CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919668	0	54	0.0	-76.56	398.22	4.64	-71.92
CC1CCCC(C)[NH+]1CCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919670	0	54	0.0	-72.51	396.61	4.65	-67.86
CN(C(=O)C1CCC([NH+](C)C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919673	0	51	0.0	-64.35	374.96	3.86	-60.49
CN(C(=O)C1(CC[NH+](C)C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919674	0	48	0.0	-77.06	378.78	3.82	-73.24
CN(C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919679	0	51	0.0	-64.81	374.80	3.91	-60.90
CN(C(=O)CC1CC=CC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919680	0	46	0.0	-77.73	357.93	3.61	-74.12
CN(C(=O)CC1CC=CC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919680	1	46	0.0	-78.02	357.85	3.52	-74.50
CC1=CC(C=CC(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)=C[NH+]=C1N	REAL300028919758	1	45	0.0	-76.46	370.89	2.51	-73.95
CN(C(=O)COCC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919775	0	45	0.0	-67.55	362.03	3.43	-64.12
CCCCC[N@H+](C)CCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919783	0	53	0.0	-77.55	411.09	4.98	-72.57
CCCCC[N@@H+](C)CCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919783	1	53	0.0	-77.62	411.09	5.00	-72.62
CN(C(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919800	0	49	0.0	-68.47	382.31	4.19	-64.28
CN(C(=O)CN1C=CSC1=[NH2+])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919834	0	38	0.0	-62.01	333.24	2.49	-59.52
C[C@@H](OCC[NH+](C)C)C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919955	0	48	0.0	-66.23	376.72	3.89	-62.34
CN(C(=O)C1(C2(O)CC[NH+](C)CC2)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919960	0	53	0.0	-67.10	393.49	1.52	-65.58
CN(C(=O)CC[NH+]1CCCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920053	0	51	0.0	-77.26	380.51	4.10	-73.16
CN(C(=O)C1CCC[N@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920061	0	45	0.0	-67.01	339.99	3.06	-63.95
CN(C(=O)C1CCC[N@@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920061	1	45	0.0	-67.01	339.99	3.06	-63.95
CN(C(=O)C[NH+]1CCCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920069	0	48	0.0	-65.50	357.25	4.35	-61.15
CN(C(=O)C[N+]1=CN(C)C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920076	0	40	0.0	-70.96	337.78	5.03	-65.93
CN(C(=O)C(C)(C)C1CCC[N@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920098	0	54	0.0	-76.85	380.21	3.74	-73.11
CN(C(=O)C(C)(C)C1CCC[N@@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920098	1	54	0.0	-76.85	380.21	3.74	-73.11
CN(C)CC1=CC=C(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028920104	0	45	0.0	-80.68	367.66	3.25	-77.43
CN(C(=O)C1=CC=C(C[NH+](C)C)O1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920104	1	45	0.0	-80.68	367.66	3.25	-77.43
CN(C(=O)CN1CCC(O)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920137	0	46	0.0	-77.98	358.79	0.06	-77.92
CN(C(=O)C[NH+]1CCC(O)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920137	1	46	0.0	-77.98	358.79	0.06	-77.92
CN(C(=O)C[N@H+](C)C1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920145	0	42	0.0	-71.01	335.76	2.83	-68.18
CC(C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)N1CCN(C)CC1	REAL300028920147	0	50	0.0	-79.09	382.01	2.17	-76.92
CC(C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300028920147	1	50	0.0	-79.09	382.01	2.17	-76.92
CN(C(=O)CC[N@@H+]1CCC(F)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920155	0	45	0.0	-71.45	359.86	4.28	-67.17
COC1C[N@H+](C)C(C)(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028920174	0	49	0.0	-70.00	369.88	1.37	-68.63
CN(C(=O)C1=CC(CC[NH+](C)C)=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920197	0	51	0.0	-70.04	404.95	6.31	-63.73
CC(CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300028920204	0	47	0.0	-69.33	363.36	4.35	-64.98
CN(C(=O)C1CC[N@@H+]2CCOCC12)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920230	0	47	0.0	-78.15	361.95	1.56	-76.59
CN(C(=O)C1CC[N@H+]2CCOCC12)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920230	1	47	0.0	-78.15	361.95	1.56	-76.59
CN(C(=O)CC1COCCN1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920265	0	46	0.0	-64.47	349.22	2.02	-62.45
CN(C(=O)CC1COCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920265	1	46	0.0	-80.47	356.84	1.38	-79.09
CN(C(=O)CC1COCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920265	1	46	0.0	-80.47	356.84	1.38	-79.09
CN(C(=O)C(C[NH+](C)C)C1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920277	0	51	0.0	-74.58	403.50	5.44	-69.14
CC1=CC(N)=NC=C1C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920361	0	41	0.0	-63.42	336.29	1.60	-61.82
CC1=CC(N)=[NH+]C=C1C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920361	1	41	0.0	-63.42	336.29	1.60	-61.82
CN(C(=O)C1(CC[NH+]2CCCCC2)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920396	0	55	0.0	-75.49	420.41	5.70	-69.79
CN(C(=O)C[N@@H+]1CCC(C)(O)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920438	0	46	0.0	-74.19	363.11	-0.07	-74.26
CN(C(=O)C1=CC=NN1CC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920449	0	48	0.0	-68.27	380.89	3.49	-64.78
CN(C(=O)CC1C[NH+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920491	0	42	0.0	-74.74	337.93	2.28	-72.46
CN(C(=O)C1CC[N@@H+]1C1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920497	0	49	0.0	-71.97	371.48	3.99	-67.98
CN(C(=O)C1CC[N@H+]1C1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920497	1	49	0.0	-71.97	371.48	3.99	-67.98
CN(C(=O)CC[N@H+](C)CCO)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920557	0	45	0.0	-75.03	356.94	-0.44	-75.47
CN(C(=O)CC[N@@H+](C)CCO)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920557	1	45	0.0	-75.03	356.94	-0.44	-75.47
CN(C(=O)CC1CCCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920583	0	48	0.0	-67.93	365.45	4.54	-63.39
CN(C(=O)CC1CCCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920583	1	48	0.0	-67.93	365.45	4.54	-63.39
CC1=C2C=C(C(=O)N(C)C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=N1	REAL300028920618	0	43	0.0	-75.26	363.50	5.49	-69.77
CC1=C2C=C(C(=O)N(C)C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300028920618	1	43	0.0	-75.26	363.50	5.49	-69.77
CC1CCN1CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920625	0	42	0.0	-73.16	337.80	2.49	-70.67
CC1CC[N@@H+]1CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920625	1	42	0.0	-72.77	337.86	2.50	-70.27
CC1CC[N@H+]1CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920625	1	42	0.0	-72.77	337.86	2.50	-70.27
CN(C(=O)C=CC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920646	0	42	0.0	-71.29	342.58	3.59	-67.70
CN(C(=O)CN1CC(C)(C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920664	0	45	0.0	-74.06	357.17	3.13	-70.93
CN(C(=O)C[NH+]1CC(C)(C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920664	1	45	0.0	-74.06	357.17	3.13	-70.93
CN(C(=O)CCCC[NH+]1CCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920679	0	54	0.0	-75.02	413.08	5.53	-69.49
CC1=C(C)NC(CCC(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300028920696	0	46	0.0	-62.35	376.40	3.63	-58.72
CC1=C(C)[NH+]=C(CCC(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300028920696	1	46	0.0	-62.35	376.40	3.63	-58.72
CN(C(=O)C1=CC2=C(CN(C)CC2)S1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920697	0	46	0.0	-81.14	375.55	4.13	-77.01
CN(C(=O)C1=CC2=C(C[N@H+](C)CC2)S1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920697	1	46	0.0	-81.44	375.52	4.04	-77.40
CN(C(=O)C1=CC2=C(C[N@@H+](C)CC2)S1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920697	1	46	0.0	-81.44	375.52	4.04	-77.40
CN(C(=O)C1(C2CC[NH+](C)CC2)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920711	0	52	0.0	-79.58	388.57	5.19	-74.39
CC1=C2C=C(C(=O)N(C)C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=N1	REAL300028920722	0	43	0.0	-75.26	363.50	5.49	-69.77
CC1=C2C=C(C(=O)N(C)C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300028920722	1	43	0.0	-75.26	363.50	5.49	-69.77
CN(C(=O)CSCC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920738	0	45	0.0	-71.73	373.06	4.30	-67.43
CC(C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300028920759	0	51	0.0	-65.94	398.17	6.24	-59.70
CN(C(=O)C1=CC2=C(CCCC2)N=C1N)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920763	0	48	0.0	-65.74	377.81	2.77	-62.97
CN(C(=O)C1=CC2=C(CCCC2)[NH+]=C1N)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920763	1	48	0.0	-65.74	377.81	2.77	-62.97
CN(C(=O)C[N@@H+]1CCCC1CO)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920772	0	46	0.0	-72.78	360.71	-0.01	-72.79
CC[NH+](CC)CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920775	0	44	0.0	-64.39	341.99	3.68	-60.71
CN(C(=O)C[N@H+](C)C1CCSC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920792	0	46	0.0	-79.55	365.82	3.67	-75.88
CC[NH+](CC)CCC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920859	0	47	0.0	-67.15	359.77	3.99	-63.16
CN(C(=O)C[NH+]1CCC(C(N)=O)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920885	0	49	0.0	-83.78	384.19	0.06	-83.72
CN(C(=O)C1=CC(C[NH+](C)C)=CN1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920945	0	46	0.0	-78.22	368.37	3.00	-75.22
CC(C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300028920971	0	49	0.0	-74.58	375.82	0.41	-74.17
CN(C(=O)C1CC2COCC[N@@H+]2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920980	0	47	0.0	-68.69	364.50	1.81	-66.88
CN(C(=O)C1CC2COCC[N@H+]2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920980	1	47	0.0	-76.20	361.15	1.69	-74.51
CC(C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300028921002	0	42	0.0	-63.83	333.32	3.21	-60.62
CCC(CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300028921016	0	50	0.0	-70.32	381.00	4.96	-65.36
CN(C(=O)C=CC1=CC=C(N)[NH+]=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028921025	0	42	0.0	-77.69	353.04	1.68	-76.01
CN(C(=O)C(C)(C)C[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028921026	0	47	0.0	-73.02	341.03	3.00	-70.02
CN(C(=O)CC(C1=CC=CC=C1)[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028921073	0	51	0.0	-70.41	396.09	6.36	-64.05
CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028921113	0	45	0.0	-62.72	346.51	3.90	-58.82
CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028921113	1	45	0.0	-72.60	339.25	2.76	-69.84
CC1CN2CC[N@@H+]1CC2C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028921129	0	48	0.0	-77.70	355.80	0.14	-77.56
CC1CN2CC[N@H+]1CC2C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028921129	1	48	0.0	-79.26	354.48	0.01	-79.25
CN(C(=O)CC(O)C[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028921164	0	45	0.0	-71.65	358.65	1.37	-70.28
CN(C(=O)C1CC2CCC(C1)[NH+]2C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028921167	0	49	0.0	-62.52	337.69	4.10	-58.42
C#CC1(O)CC[NH+](C(C)C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028921207	0	51	0.0	-65.32	398.26	2.17	-63.15
C=CCC(C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028921222	0	45	0.0	-64.46	347.03	3.79	-60.67
CN(C(=O)C1CC2CCCC[N@@H+]2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028921237	0	49	0.0	-63.75	369.85	4.87	-58.88
CN(C(=O)C1CC2CCCC[N@H+]2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028921237	1	49	0.0	-70.92	370.74	4.13	-66.79
CN(C(=O)C1(C)CC[NH+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028921255	0	48	0.0	-65.71	353.64	2.81	-62.90
CN(C(=O)CC1(O)CC[NH+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028921261	0	49	0.0	-69.58	376.38	2.67	-66.91
COCC[N@@H+]1CCCC1CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028921277	0	52	0.0	-74.77	395.49	2.91	-71.86
COCC[N@H+]1CCCC1CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028921277	1	52	0.0	-72.32	404.39	2.96	-69.36
CN(C(=O)CC1CC2CCC(C1)[NH+]2C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028921293	0	52	0.0	-74.10	372.18	3.91	-70.19
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=NN2CC[NH+](C)C)C1	REAL300028921338	0	48	0.0	-64.74	381.27	3.54	-61.20
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC3=C(C[N@H+](C)CC3)S2)C1	REAL300028921378	1	46	0.0	-79.29	375.54	4.34	-74.95
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC3=C(C[N@@H+](C)CC3)S2)C1	REAL300028921378	1	46	0.0	-78.37	375.43	5.13	-73.24
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C3CC[NH+](C)CC3)CC2)C1	REAL300028921390	0	52	0.0	-76.86	394.01	5.20	-71.66
CC1=C2C=C(C(=O)N3CC(N(C)C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300028921403	1	43	0.0	-69.57	353.09	6.02	-63.55
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CSCC[NH+](C)C)C1	REAL300028921418	0	45	0.0	-77.27	372.60	3.49	-73.78
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300028921430	0	47	0.0	-71.35	363.06	2.68	-68.67
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC3COCC[N@H+]3C2)C1	REAL300028921430	1	47	0.0	-73.62	362.02	1.79	-71.83
C[N@@H+]1CCCC1C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028921596	0	52	0.0	-75.55	389.47	4.08	-71.47
C[N@H+]1CCCC1C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028921596	1	52	0.0	-73.67	390.14	4.20	-69.47
C[N@@H+]1CCOC(C(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028921620	1	53	0.0	-85.44	401.63	3.56	-81.88
C[N@H+]1CCOC(C(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028921620	1	53	0.0	-93.74	401.31	3.57	-90.17
CC(C)[N@@H+]1CCCC1C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028921776	0	58	0.0	-72.24	416.73	5.36	-66.88
CC(C)[N@H+]1CCCC1C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028921776	1	58	0.0	-76.63	416.20	5.34	-71.29
CC1=[NH+]C=CN1CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028921809	1	50	0.0	-73.72	393.29	4.75	-68.97
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCC1CC2	REAL300028921837	0	56	0.0	-78.25	405.46	4.91	-73.34
C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028921871	0	55	0.0	-82.93	400.53	4.09	-78.84
C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028921871	1	55	0.0	-74.91	406.24	4.65	-70.26
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028921873	0	58	0.0	-79.09	421.70	4.80	-74.29
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028921873	1	58	0.0	-81.36	425.85	5.15	-76.21
CC[N@@H+]1CCOC(C(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028921880	1	56	0.0	-73.55	411.96	4.06	-69.49
CC[N@H+]1CCOC(C(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028921880	1	56	0.0	-73.48	411.89	4.05	-69.43
CC[NH+](CC)CC(F)C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028921908	0	57	0.0	-75.16	427.57	5.11	-70.05
CC1CCC(C)[NH+]1CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028921944	0	58	0.0	-75.84	420.90	5.02	-70.82
O=C(CCC[NH+]1CCCC1)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028921947	0	58	0.0	-76.94	432.73	5.58	-71.36
O=C(CC[NH+]1CCCCC1)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028921950	0	58	0.0	-80.51	427.81	5.56	-74.95
CC[N@@H+]1CCCCC1C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028921953	0	58	0.0	-70.19	423.70	5.35	-64.84
CC[N@H+]1CCCCC1C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028921953	1	58	0.0	-70.25	423.62	5.33	-64.92
C[NH+](C)C1(C(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300028921964	0	55	0.0	-83.70	396.39	4.68	-79.02
CC(C)[C@@H](C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028921971	0	57	0.0	-72.80	413.12	5.37	-67.43
C[N@H+](CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300028921996	0	55	0.0	-74.34	409.97	5.11	-69.23
C[N@@H+](CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300028921996	1	55	0.0	-74.05	410.09	5.12	-68.93
C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028922072	1	54	0.0	-72.41	410.53	4.88	-67.53
C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028922072	1	54	0.0	-73.34	416.39	5.41	-67.93
C[N@@H+]1CCCC1CCC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028922077	0	58	0.0	-80.62	431.22	5.61	-75.01
C[N@H+]1CCCC1CCC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028922077	1	58	0.0	-78.01	427.35	5.45	-72.56
C[NH+]1CCC(C(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028922097	0	55	0.0	-83.90	408.50	4.77	-79.13
C[N@@H+]1CCCCC1C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028922136	0	55	0.0	-73.02	396.47	4.53	-68.49
C[N@H+]1CCCCC1C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028922136	1	55	0.0	-71.11	405.77	4.69	-66.42
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CN2C=[NH+]C=C2C=C1	REAL300028922206	0	50	0.0	-77.69	394.41	6.61	-71.08
O=C(CC[NH+]1CCOCC1)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028922213	1	56	0.0	-80.26	419.20	3.13	-77.13
CC1=C[NH+]=CN1CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028922226	1	50	0.0	-74.55	393.63	5.47	-69.08
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+]1CCC2	REAL300028922247	0	56	0.0	-82.33	408.53	5.09	-77.24
C[N@@H+]1CCC(CC(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028922258	0	55	0.0	-78.95	410.68	4.70	-74.25
C[N@H+]1CCC(CC(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028922258	1	55	0.0	-81.72	410.26	4.70	-77.02
CN(C)C1=CC=[NH+]C=C1C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028922264	0	54	0.0	-84.33	414.72	3.91	-80.42
CCC(C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028922266	0	54	0.0	-72.25	394.48	4.13	-68.12
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CC2=C[NH+]=CN2C=C1	REAL300028922293	1	50	0.0	-82.04	394.44	6.61	-75.43
C[NH+](C)CCCCC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028922325	0	57	0.0	-81.87	429.17	5.27	-76.60
CC(C)C(C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028922339	0	57	0.0	-78.45	407.41	4.57	-73.88
CCC[N@H+](C)CCC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028922340	0	57	0.0	-78.62	425.52	5.06	-73.56
CCC[N@@H+](C)CCC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028922340	1	57	0.0	-81.91	425.54	5.06	-76.85
CCC[N@H+](C)CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028922344	0	54	0.0	-76.33	403.09	4.55	-71.78
CCC[N@@H+](C)CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028922344	1	54	0.0	-76.18	403.10	4.54	-71.64
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C12CC[N@H+](C1)CCC2	REAL300028922359	0	56	0.0	-78.33	405.81	4.32	-74.01
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C12CC[N@@H+](C1)CCC2	REAL300028922359	1	56	0.0	-84.80	406.00	4.37	-80.43
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028922385	0	52	0.0	-77.67	383.89	3.65	-74.02
C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028922385	1	52	0.0	-72.80	390.41	4.19	-68.61
CC[NH+](CC)CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028922420	0	54	0.0	-78.12	399.91	4.49	-73.63
CC1CC[NH+](CC(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028922481	0	58	0.0	-76.38	426.86	5.60	-70.78
C[NH+](C)CC1(C(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028922503	0	55	0.0	-84.25	415.67	4.90	-79.35
C[NH+]1CCC(C(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028922556	0	55	0.0	-83.90	408.50	4.77	-79.13
CC(C)[C@H](C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028922572	0	57	0.0	-76.53	409.01	4.58	-71.95
CCC(C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300028922600	0	60	0.0	-72.73	429.64	5.48	-67.25
CC[N@H+](C)CCC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028922641	0	54	0.0	-81.23	404.04	4.32	-76.91
CC[N@@H+](C)CCC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028922641	1	54	0.0	-81.06	404.04	4.31	-76.75
CC1CCC[N@@H+]1CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028922671	0	55	0.0	-76.10	402.47	4.50	-71.60
CC1CCC[N@H+]1CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028922671	1	55	0.0	-72.73	402.49	4.48	-68.25
CC1CC[N@H+](CC(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028922673	0	55	0.0	-75.41	409.17	4.78	-70.63
CC1CC[N@@H+](CC(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028922673	1	55	0.0	-75.78	409.79	4.86	-70.92
CC1(C)CC[N@H+](CC(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028922677	0	58	0.0	-75.38	428.77	5.36	-70.02
CC1(C)CC[N@@H+](CC(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028922677	1	58	0.0	-75.76	429.39	5.35	-70.41
C[N@H+](CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300028922678	0	60	0.0	-76.34	431.70	5.54	-70.80
C[N@@H+](CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300028922678	1	60	0.0	-75.64	433.65	5.68	-69.96
CC[C@@H](C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028922686	0	54	0.0	-79.03	397.57	4.28	-74.75
C[NH+](C)CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028922790	0	48	0.0	-79.96	363.81	3.13	-76.83
O=C(C[NH+]1CCCCCC1)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028922794	0	58	0.0	-78.67	415.03	5.17	-73.50
CN1C=C[N+](CC(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)=C1	REAL300028922797	0	50	0.0	-77.74	395.03	6.64	-71.10
C[N@@H+]1CCCC(C(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028922802	0	55	0.0	-68.63	402.28	4.94	-63.69
C[N@H+]1CCCC(C(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028922802	1	55	0.0	-68.64	402.24	4.93	-63.71
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1CCC[N@@H+]1C1CC1	REAL300028922807	0	56	0.0	-83.02	416.87	5.21	-77.81
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1CCC[N@H+]1C1CC1	REAL300028922807	1	56	0.0	-78.94	414.28	4.98	-73.96
CC(C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300028922823	1	52	0.0	-76.63	392.01	4.18	-72.45
CCC(CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300028922827	0	60	0.0	-79.32	435.05	5.59	-73.73
C[NH+](C)CC(C)(C)C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028922832	0	57	0.0	-76.31	413.76	4.85	-71.46
O=C(C[NH+]1CCC(O)CC1)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028922847	1	56	0.0	-80.49	417.10	1.64	-78.85
C[N@H+](CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028922848	0	52	0.0	-76.65	393.37	4.52	-72.13
C[N@@H+](CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028922848	1	52	0.0	-77.10	393.22	4.54	-72.56
C[NH+]1CC(CC(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028922864	0	52	0.0	-79.82	395.10	3.95	-75.87
CC(C)(C)[N@@H+]1CCC1C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028922875	0	58	0.0	-77.48	407.71	4.71	-72.77
CC(C)(C)[N@H+]1CCC1C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028922875	1	58	0.0	-72.13	425.38	4.86	-67.27
C[C@@H](C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028922886	0	51	0.0	-78.71	382.05	3.50	-75.21
[NH2+]=C1SC=CN1CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028922945	0	48	0.0	-73.49	390.93	3.31	-70.18
C[N@H+](CCO)CCC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028922952	0	55	0.0	-78.11	414.35	1.09	-77.02
C[N@@H+](CCO)CCC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028922952	1	55	0.0	-77.56	414.31	1.11	-76.45
C[C@@H](C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028922953	0	51	0.0	-78.71	382.05	3.50	-75.21
C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028922957	0	55	0.0	-75.04	396.53	4.55	-70.49
C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028922957	1	55	0.0	-71.09	405.91	4.69	-66.40
O=C(C[NH+]1CCC1)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923007	1	49	0.0	-79.74	374.04	3.54	-76.20
C[N@@H+]1CCC(=CC(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028923026	0	53	0.0	-79.83	401.77	4.67	-75.16
C[N@H+]1CCC(=CC(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028923026	1	53	0.0	-79.83	401.82	4.68	-75.15
C[NH+](C)CCOCC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923049	0	55	0.0	-79.70	419.66	4.19	-75.51
C=CCC(C)(C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028923063	0	58	0.0	-72.80	419.28	5.14	-67.66
C[S+](C)CCC(O)C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923067	0	54	0.0	-86.19	429.09	2.78	-83.41
C[N@@H+]1CC(O)CC1(C)C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923086	0	56	0.0	-76.96	409.51	1.53	-75.43
CC1CN(CC(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028923105	0	52	0.0	-76.44	394.02	4.24	-72.20
CC1C[NH+](CC(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028923105	1	52	0.0	-76.44	394.02	4.24	-72.20
CN(CCO)CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923123	0	52	0.0	-76.23	391.94	0.56	-75.67
C[N@H+](CCO)CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923123	1	52	0.0	-76.93	391.73	0.56	-76.37
C[N@@H+](CCO)CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923123	1	52	0.0	-76.93	391.73	0.56	-76.37
CC[N@@H+]1CCCC(C(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028923143	0	58	0.0	-74.90	426.17	5.41	-69.49
CC[N@H+]1CCCC(C(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028923143	1	58	0.0	-74.90	426.17	5.41	-69.49
CC(CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300028923145	0	57	0.0	-77.65	421.10	5.12	-72.53
CC[N@H+](C)CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923150	0	51	0.0	-75.84	381.59	3.79	-72.05
CC[N@H+](CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028923183	0	55	0.0	-76.76	409.85	5.14	-71.62
CC[NH+](CC)CCC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923193	0	57	0.0	-76.85	421.89	5.03	-71.82
CC1(C)CN(CC(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028923211	0	55	0.0	-80.11	414.18	4.70	-75.41
CC1(C)C[NH+](CC(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028923211	1	55	0.0	-80.11	414.18	4.70	-75.41
CC1(O)CC[N@H+](CC(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028923229	0	56	0.0	-76.12	420.48	1.52	-74.60
C[NH+](C)CC=CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923233	0	52	0.0	-83.30	399.78	4.33	-78.97
CC(OCC[NH+](C)C)C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923242	0	58	0.0	-78.21	439.48	4.87	-73.34
C[NH+](C)CCOCCC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923248	0	58	0.0	-79.24	440.63	3.92	-75.32
COCCN(C)CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923249	0	55	0.0	-76.99	414.00	2.97	-74.02
COCC[N@H+](C)CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923249	1	55	0.0	-76.38	414.19	2.96	-73.42
COCC[N@@H+](C)CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923249	1	55	0.0	-76.38	414.19	2.96	-73.42
C[NH+](C)C1(C(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300028923269	0	58	0.0	-82.81	412.95	5.47	-77.34
CC(CCC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028923271	0	57	0.0	-83.55	417.45	4.86	-78.69
CCN1CCC1C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923277	0	52	0.0	-73.50	387.19	3.66	-69.84
CC[N@@H+]1CCC1C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923277	1	52	0.0	-78.85	395.59	4.14	-74.71
CC[N@H+]1CCC1C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923277	1	52	0.0	-78.85	395.59	4.14	-74.71
O=C(C[N@H+]1CCCC1CO)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923290	0	56	0.0	-75.54	416.93	1.70	-73.84
C[NH+]1CCC(C)(C(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028923312	0	58	0.0	-70.52	421.07	5.19	-65.33
C=CCC(C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028923331	0	55	0.0	-79.59	410.43	4.80	-74.79
C[N@@H+]1CC(C)(C)CC1C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923338	0	58	0.0	-79.71	424.31	4.72	-74.99
C[NH+](C)CCCCCC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923340	0	60	0.0	-80.85	450.67	6.04	-74.81
CCCC(C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028923361	0	57	0.0	-76.45	416.08	4.90	-71.55
C[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923364	0	54	0.0	-77.97	391.39	4.29	-73.68
C[N@@H+]1CCCCC1C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923390	0	55	0.0	-71.11	405.77	4.69	-66.42
C[N@H+]1CC=C(CC(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028923414	0	56	0.0	-75.69	423.22	5.45	-70.24
C[N@@H+]1CC=C(CC(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028923414	1	56	0.0	-75.69	423.22	5.45	-70.24
O=C(C=CC[NH+]1CCCC1)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923454	0	56	0.0	-78.53	424.80	5.38	-73.15
O=C(CC[NH+]1CCCC1)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923487	0	55	0.0	-80.65	412.13	4.86	-75.79
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCN1CC2	REAL300028923511	0	55	0.0	-79.41	400.65	1.60	-77.81
C[N@@H+]1CC2CC1(C(=O)NC[C@@H]1C[C@H]3CC[C@@H](C1)N3C(=O)C1=CC(=O)[N-]O1)C2	REAL300028923516	0	53	0.0	-83.74	394.65	4.23	-79.51
O=C(C[N@@H+]1CC2CCC1C2)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923523	0	56	0.0	-74.36	410.32	5.19	-69.17
O=C(C[N@H+]1CC2CCC1C2)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923523	1	56	0.0	-74.36	410.32	5.19	-69.17
O=C(CN1CC2C=CC1C2)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923563	0	54	0.0	-74.33	403.23	5.11	-69.22
O=C(C[N@@H+]1CC2C=CC1C2)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923563	1	54	0.0	-74.55	403.60	5.08	-69.47
O=C(C[N@H+]1CC2C=CC1C2)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923563	1	54	0.0	-74.55	403.60	5.08	-69.47
CC(C[NH+](C)C)C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923595	0	54	0.0	-77.08	402.49	4.36	-72.72
C[N@@H+]1CCCCC1CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923645	0	58	0.0	-79.40	423.51	5.31	-74.09
C[N@H+]1CCCCC1CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923645	1	58	0.0	-79.40	423.51	5.31	-74.09
CC(C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)N1CC(C)C1	REAL300028923655	0	55	0.0	-77.12	411.81	4.87	-72.25
CC(C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300028923655	1	55	0.0	-77.12	411.81	4.87	-72.25
CC1CCN1CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923657	0	52	0.0	-77.51	389.54	3.93	-73.58
CC1CC[N@@H+]1CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923657	1	52	0.0	-77.29	390.17	3.88	-73.41
CC1CC[N@H+]1CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923657	1	52	0.0	-77.29	390.17	3.88	-73.41
C[NH+](C)CC(O)CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923660	0	55	0.0	-84.76	416.39	2.17	-82.59
CC1CN(C)CC(C(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)O1	REAL300028923680	0	56	0.0	-89.66	415.65	4.26	-85.40
CC1C[N@H+](C)CC(C(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)O1	REAL300028923680	1	56	0.0	-94.50	422.42	4.30	-90.20
CC1C[N@@H+](C)CC(C(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)O1	REAL300028923680	1	56	0.0	-94.50	422.42	4.30	-90.20
C[NH+](C)[C@H]1C[C@H](C(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028923727	0	55	0.0	-74.44	413.47	4.84	-69.60
CC(CC[NH+](C)C)C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923733	0	57	0.0	-77.40	424.12	4.98	-72.42
CN1CCN(CC(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028923752	0	57	0.0	-78.46	422.82	2.62	-75.84
C[NH+]1CCN(CC(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028923752	1	57	0.0	-78.46	422.82	2.62	-75.84
NC(=[NH2+])SCC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923776	0	46	0.0	-82.18	371.72	0.08	-82.10
C[NH+](C)CCC1(C(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028923805	0	58	0.0	-82.61	439.97	5.65	-76.96
C[N@@H+]1CC=CCC1CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923806	0	56	0.0	-67.83	409.99	5.09	-62.74
C[N@H+]1CC=CCC1CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923806	1	56	0.0	-67.83	409.99	5.09	-62.74
C[C@@H](OCC[NH+](C)C)C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923819	0	58	0.0	-72.84	439.74	4.85	-67.99
CCC1C[NH+](CC(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300028923905	1	55	0.0	-76.91	416.55	4.95	-71.96
C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923910	0	52	0.0	-75.61	389.64	4.08	-71.53
C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923910	1	52	0.0	-77.76	384.22	3.66	-74.10
O=C(CC[N@H+]1CCC(F)C1)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923916	0	55	0.0	-82.97	418.58	4.91	-78.06
O=C(CC[N@@H+]1CCC(F)C1)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923916	1	55	0.0	-81.81	418.16	4.90	-76.91
O=C(C[NH+]1CCCCC1)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923929	0	55	0.0	-75.76	405.60	5.00	-70.76
CC1C(C(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028923935	0	55	0.0	-82.40	401.49	4.32	-78.08
CC1C(C(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028923935	1	55	0.0	-78.91	405.89	4.59	-74.32
C[N@@H+]1CCOCC1CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923964	1	56	0.0	-82.86	414.51	2.94	-79.92
C[N@H+]1CCOCC1CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923964	1	56	0.0	-83.05	414.89	2.92	-80.13
C[N@@H+]1CCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028924135	0	52	0.0	-71.97	385.36	3.74	-68.23
C[N@H+]1CCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028924135	1	52	0.0	-64.70	390.14	4.11	-60.59
O=C(CC[NH+]1CCOCC1)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028924314	1	56	0.0	-77.31	422.63	3.25	-74.06
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2)C1=CC(=O)[N-]O1	REAL300028924326	0	56	0.0	-62.96	401.45	4.47	-58.49
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC(=O)[N-]O1	REAL300028924332	1	50	0.0	-78.61	401.84	6.60	-72.01
C[N@@H+]1CCC(CC(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028924363	0	55	0.0	-75.07	413.44	4.86	-70.21
C[N@H+]1CCC(CC(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028924363	1	55	0.0	-74.65	413.52	4.86	-69.79
CN(C)C1=CC=[NH+]C=C1C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028924369	0	54	0.0	-71.57	413.86	3.12	-68.45
CCC(C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028924371	0	54	0.0	-65.46	392.63	4.09	-61.37
C[NH+](C)CCCCC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028924409	0	57	0.0	-76.01	433.12	5.38	-70.63
CC(C)C(C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028924425	0	57	0.0	-65.44	412.02	4.96	-60.48
CCC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028924426	0	57	0.0	-75.42	428.83	5.22	-70.20
CCC[N@@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028924426	1	57	0.0	-75.52	428.82	5.22	-70.30
CCC[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028924430	0	54	0.0	-67.88	406.64	4.63	-63.25
CCC[N@@H+](C)CC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028924430	1	54	0.0	-72.23	406.57	4.64	-67.59
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CC[N@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300028924445	0	56	0.0	-75.15	399.26	4.07	-71.08
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CC[N@@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300028924445	1	56	0.0	-70.11	399.01	4.04	-66.07
CC1CC[NH+](CC(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028924478	0	58	0.0	-72.51	429.86	5.71	-66.80
C[NH+](C)CC1(C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028924519	0	55	0.0	-65.25	414.99	4.78	-60.47
CC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028924538	0	54	0.0	-74.68	407.33	4.48	-70.20
CC[N@@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028924538	1	54	0.0	-74.71	407.33	4.47	-70.24
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1C[NH+]2CCC1CC2)C1=CC(=O)[N-]O1	REAL300028924556	0	56	0.0	-70.92	401.62	4.66	-66.26
C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028924605	0	55	0.0	-77.81	411.84	4.79	-73.02
CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028924621	0	57	0.0	-69.87	412.05	4.75	-65.12
CC[NH+](CC)CC(F)C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028924681	0	57	0.0	-69.61	424.90	4.91	-64.70
C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)CCC1	REAL300028924702	0	55	0.0	-75.66	393.33	3.87	-71.79
CCC(C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](CC)CC	REAL300028924730	0	60	0.0	-62.48	425.42	5.10	-57.38
CC1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028924741	0	55	0.0	-64.81	412.91	5.01	-59.80
CC1CCC[N@H+]1CC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028924741	1	55	0.0	-68.54	405.98	4.60	-63.94
CC(C)[N@@H+]1CCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028924787	0	58	0.0	-63.46	409.48	5.02	-58.44
CC(C)[N@H+]1CCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028924787	1	58	0.0	-67.77	420.22	5.06	-62.71
CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028924796	0	57	0.0	-69.62	409.61	4.71	-64.91
CC1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028924810	0	55	0.0	-71.29	412.61	4.90	-66.39
CC1CC[N@@H+](CC(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028924810	1	55	0.0	-66.81	413.76	4.99	-61.82
CC1(C)CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028924814	0	58	0.0	-66.94	432.71	5.45	-61.49
CC1(C)CC[N@@H+](CC(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028924814	1	58	0.0	-71.30	432.28	5.47	-65.83
C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300028924815	0	60	0.0	-67.69	435.24	5.63	-62.06
C[N@@H+](CC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300028924815	1	60	0.0	-71.79	437.13	5.79	-66.00
CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028924823	0	54	0.0	-68.21	395.87	4.20	-64.01
CC1=[NH+]C=CN1CC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028924944	1	50	0.0	-68.48	396.72	4.83	-63.65
CC[N@@H+]1CCOC(C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028925008	1	56	0.0	-67.15	408.55	3.88	-63.27
CC[N@H+]1CCOC(C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028925008	1	56	0.0	-82.11	415.92	4.07	-78.04
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC(=O)[N-]O1	REAL300028925038	0	50	0.0	-77.21	401.46	6.57	-70.64
CC1=C[NH+]=CN1CC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925041	1	50	0.0	-66.87	397.22	5.57	-61.30
C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300028925048	0	55	0.0	-70.74	403.88	4.48	-66.26
C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300028925048	1	55	0.0	-71.74	409.77	4.49	-67.25
CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300028925050	0	58	0.0	-68.87	420.12	4.71	-64.16
CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300028925050	1	58	0.0	-69.06	425.05	5.10	-63.96
CC1CCC(C)[NH+]1CC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925057	0	58	0.0	-67.98	423.89	5.12	-62.86
O=C(CCC[NH+]1CCCC1)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925060	0	58	0.0	-73.74	436.04	5.73	-68.01
O=C(CC[NH+]1CCCCC1)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925064	0	58	0.0	-73.89	431.24	5.70	-68.19
CC[N@@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925067	0	58	0.0	-64.48	411.95	4.87	-59.61
CC[N@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925067	1	58	0.0	-67.02	425.87	5.39	-61.63
C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300028925165	0	55	0.0	-65.48	413.56	5.20	-60.28
C[N@@H+](CC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300028925165	1	55	0.0	-70.01	413.40	5.21	-64.80
C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028925196	0	55	0.0	-77.81	411.84	4.79	-73.02
C[N@@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925226	0	52	0.0	-71.92	385.50	3.74	-68.18
C[N@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925226	1	52	0.0	-64.64	388.27	4.07	-60.57
C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925244	1	54	0.0	-65.38	412.03	4.97	-60.41
C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925244	1	54	0.0	-70.48	414.67	5.25	-65.23
C[N@@H+]1CCCC1CCC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925249	0	58	0.0	-68.66	429.20	5.27	-63.39
C[N@H+]1CCCC1CCC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925249	1	58	0.0	-72.25	429.18	5.29	-66.96
C[N@@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925323	0	55	0.0	-67.53	407.87	4.76	-62.77
C[N@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925323	1	55	0.0	-71.02	399.55	4.49	-66.53
CC1C(C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300028925381	0	55	0.0	-73.57	399.86	4.30	-69.27
CC1C(C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300028925381	1	55	0.0	-73.33	403.95	4.52	-68.81
CC(C)(C)[N@@H+]1CCC1C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925437	0	58	0.0	-64.22	428.40	4.90	-59.32
CC(C)(C)[N@H+]1CCC1C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925437	1	58	0.0	-64.27	428.03	4.90	-59.37
C[C@@H](C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028925451	0	51	0.0	-70.34	383.96	3.58	-66.76
C=CCC(C)(C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028925465	0	58	0.0	-70.37	407.44	4.60	-65.77
O=C(CC[NH+]1CCCC1)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925482	0	55	0.0	-74.08	415.56	4.99	-69.09
C[N@H+](CCO)CC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925491	1	52	0.0	-72.69	395.43	0.66	-72.03
C[N@@H+](CCO)CC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925491	1	52	0.0	-68.28	395.27	0.66	-67.62
C[N@H+]1CC=C(CC(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028925549	0	56	0.0	-68.68	426.38	5.58	-63.10
C[N@@H+]1CC=C(CC(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028925549	1	56	0.0	-67.41	426.42	5.58	-61.83
C[S+](C)CCC(O)C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925559	0	54	0.0	-75.71	429.09	2.74	-72.97
C[N@@H+]1CC(O)CC1(C)C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925572	0	56	0.0	-65.12	408.39	0.76	-64.36
C[N@H+]1CC(O)CC1(C)C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925572	1	56	0.0	-72.26	406.79	0.68	-71.58
CC1C[NH+](CC(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028925602	1	52	0.0	-68.01	397.53	4.38	-63.63
CC[N@@H+]1CCCC(C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028925608	0	58	0.0	-61.77	416.75	5.32	-56.45
CC[N@H+]1CCCC(C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028925608	1	58	0.0	-65.50	417.34	5.18	-60.32
NC1=[NH+]C=CC=C1CC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925612	0	51	0.0	-67.78	401.57	3.04	-64.74
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC[N@@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300028925620	0	56	0.0	-62.67	421.41	5.55	-57.12
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC[N@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300028925620	1	56	0.0	-62.74	416.33	5.42	-57.32
O=C(C=CC[NH+]1CCCC1)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925650	0	56	0.0	-76.87	426.94	5.55	-71.32
CC[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925695	0	51	0.0	-71.97	385.07	3.89	-68.08
O=C(CN1CC2C=CC1C2)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925730	0	54	0.0	-68.56	406.81	5.09	-63.47
O=C(C[N@@H+]1CC2C=CC1C2)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925730	1	54	0.0	-65.53	406.91	5.21	-60.32
O=C(C[N@H+]1CC2C=CC1C2)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925730	1	54	0.0	-65.53	406.91	5.21	-60.32
CC(OCC[NH+](C)C)C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925817	0	58	0.0	-73.74	436.22	4.70	-69.04
C[NH+](C)CCOCCC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925824	0	58	0.0	-73.16	444.04	4.06	-69.10
COCCN(C)CC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925826	0	55	0.0	-68.18	417.53	3.06	-65.12
COCC[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925826	1	55	0.0	-72.92	417.68	3.07	-69.85
COCC[N@@H+](C)CC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925826	1	55	0.0	-72.92	417.68	3.07	-69.85
CC(CCC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028925829	0	57	0.0	-78.17	420.57	4.99	-73.18
CC[N@H+](CC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300028925845	0	55	0.0	-69.18	413.45	5.26	-63.92
C[N@@H+]1CC2CC1(C(=O)N1[C@@H]3CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300028925872	0	53	0.0	-66.64	390.09	4.24	-62.40
C[N@H+]1CC2CC1(C(=O)N1[C@@H]3CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300028925872	1	53	0.0	-74.60	390.23	4.22	-70.38
O=C(C[N@@H+]1CC2CCC1C2)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925881	0	56	0.0	-69.49	411.33	5.12	-64.37
O=C(C[N@H+]1CC2CCC1C2)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925881	1	56	0.0	-65.69	413.83	5.31	-60.38
CC(C[NH+](C)C)C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925896	0	54	0.0	-69.91	399.51	4.14	-65.77
C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028925907	0	52	0.0	-69.10	388.23	3.61	-65.49
C[C@H](C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028925928	0	51	0.0	-70.39	384.12	3.57	-66.82
CC[N@@H+]1CCC1C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925933	0	52	0.0	-67.07	398.68	4.20	-62.87
CC[N@H+]1CCC1C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925933	1	52	0.0	-64.99	390.43	3.83	-61.16
CCC(C)(C)[NH2+]C(C)C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925944	0	60	0.0	-64.44	430.65	3.56	-60.88
CNC1=[NH+]C(C)=CC=C1C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925971	1	54	0.0	-66.79	414.20	3.77	-63.02
NC1=CC=[NH+]C=C1C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925972	0	48	0.0	-73.94	373.17	1.08	-72.86
CCCC(C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028925980	0	57	0.0	-66.02	420.08	5.09	-60.93
C[NH+](C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925985	0	54	0.0	-73.26	381.28	3.82	-69.44
CC(CC[NH+](C)C)C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925999	0	57	0.0	-70.38	421.24	4.73	-65.65
C[N@@H+]1CC(C)(C)CC1C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028926061	0	58	0.0	-64.86	425.82	4.88	-59.98
C[N@H+]1CC(C)(C)CC1C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028926061	1	58	0.0	-67.14	425.95	4.81	-62.33
C[NH+](C)CCCCCC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028926063	0	60	0.0	-75.18	454.62	6.16	-69.02
C[NH+]1CCN(CC(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028926070	1	57	0.0	-68.85	426.58	2.72	-66.13
CC1C[N@H+](C)CC(C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300028926123	1	56	0.0	-79.62	415.83	4.30	-75.32
CC1C[N@@H+](C)CC(C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300028926123	1	56	0.0	-77.59	411.91	3.72	-73.87
O=C(C[NH+]1CC2CC2C1)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028926154	0	53	0.0	-72.15	402.73	5.11	-67.04
C[N@@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028926181	0	55	0.0	-67.53	407.87	4.76	-62.77
C[N@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028926181	1	55	0.0	-71.02	399.55	4.49	-66.53
C[N@@H+]1CCC(=CC(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028926255	0	53	0.0	-72.60	404.05	4.81	-67.79
C[N@H+]1CCC(=CC(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028926255	1	53	0.0	-72.13	404.78	4.75	-67.38
O=C(CNC1=CC=[NH+]C=C1)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028926258	0	51	0.0	-73.44	402.95	2.51	-70.93
C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300028926321	0	58	0.0	-71.15	402.95	4.54	-66.61
CCC1C[NH+](CC(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028926330	0	55	0.0	-68.75	419.92	5.04	-63.71
C[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028926340	0	52	0.0	-64.77	388.11	3.91	-60.86
C[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028926340	1	52	0.0	-65.52	385.40	3.72	-61.80
NC1=CC=C(CCC(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C=[NH+]1	REAL300028926384	0	54	0.0	-72.20	426.27	3.75	-68.45
C[NH+](C)[C@H]1C[C@H](C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028926435	0	55	0.0	-70.91	417.16	5.01	-65.90
C[NH+](C)CCC1(C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028926444	0	58	0.0	-76.28	435.20	5.76	-70.52
C[N@@H+]1CC=CCC1CC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028926445	0	56	0.0	-61.56	413.86	5.28	-56.28
C[N@H+]1CC=CCC1CC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028926445	1	56	0.0	-66.49	413.48	5.26	-61.23
C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028926481	0	55	0.0	-73.42	423.17	4.36	-69.06
[NH2+]=C1SC=CN1CC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028926509	0	48	0.0	-67.59	394.40	3.41	-64.18
C[C@@H](OCC[NH+](C)C)C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028926551	0	58	0.0	-66.21	439.47	4.85	-61.36
C[N@@H+]1CCCC(C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028926581	0	55	0.0	-65.22	399.91	4.68	-60.54
C[N@H+]1CCCC(C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028926581	1	55	0.0	-65.22	399.91	4.68	-60.54
O=C(C[NH+]1CCCCCC1)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028926582	0	58	0.0	-71.05	418.34	5.28	-65.77
CN1C=C[N+](CC(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028926586	0	50	0.0	-70.26	398.59	6.75	-63.51
C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300028926611	0	52	0.0	-68.90	396.49	4.64	-64.26
O=C(CC[N@H+]1CCC(F)C1)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028926614	0	55	0.0	-79.03	421.27	5.02	-74.01
CC(CC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300028926635	0	57	0.0	-75.27	424.39	5.26	-70.01
CN1CCOCC1CC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028926654	0	56	0.0	-80.00	417.98	3.09	-76.91
C[N@@H+]1CCOCC1CC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028926654	1	56	0.0	-66.11	410.68	2.95	-63.16
C[N@H+]1CCOCC1CC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028926654	1	56	0.0	-66.11	410.68	2.95	-63.16
CC1=CC(N)=NC=C1C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028926694	0	51	0.0	-75.16	397.49	2.47	-72.69
CC1=CC(N)=[NH+]C=C1C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028926694	1	51	0.0	-75.16	397.49	2.47	-72.69
CC1(O)CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028926724	0	56	0.0	-70.63	423.32	1.65	-68.98
C[NH+]1CC(CC(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028926752	0	52	0.0	-73.63	398.64	4.08	-69.55
C[N@H+](CCO)CCC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028926782	0	55	0.0	-73.74	417.63	1.26	-72.48
C[N@@H+](CCO)CCC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028926782	1	55	0.0	-73.74	417.63	1.26	-72.48
C[N@@H+]1CCCCC1CC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028926800	0	58	0.0	-76.15	426.73	5.44	-70.71
C[N@H+]1CCCCC1CC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028926800	1	58	0.0	-76.15	426.73	5.44	-70.71
CC1CC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028926815	0	52	0.0	-66.96	398.59	4.33	-62.63
C[NH+](C)CC=CC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028926823	0	52	0.0	-78.31	402.00	4.42	-73.89
CC1(C)CN(CC(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028926829	0	55	0.0	-67.67	417.84	4.79	-62.88
CC1(C)C[NH+](CC(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300028926829	1	55	0.0	-67.67	417.84	4.79	-62.88
C[NH+](C)CCSCC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028926851	0	55	0.0	-79.19	434.19	5.21	-73.98
O=C(C[N@H+]1CCCC1CO)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028926870	0	56	0.0	-70.95	421.52	1.72	-69.23
O=C(C[N@@H+]1CCCC1CO)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028926870	1	56	0.0	-64.99	413.12	1.76	-63.23
CC[NH+](CC)CC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028926874	0	54	0.0	-70.26	398.82	4.31	-65.95
O=C(C[NH+]1CCC1)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028926883	1	49	0.0	-72.70	377.72	3.71	-68.99
CC[NH+](CC)CCC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028926914	0	57	0.0	-74.22	420.96	4.89	-69.33
CC(C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300028926973	0	52	0.0	-70.94	393.92	4.08	-66.86
CCC(CC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300028926978	0	60	0.0	-75.74	438.87	5.75	-69.99
NC1=CC=C(C=CC(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C=[NH+]1	REAL300028926983	0	52	0.0	-70.70	413.57	3.45	-67.25
C[NH+](C)CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028926984	0	57	0.0	-68.42	404.92	4.23	-64.19
C[N@@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028927021	0	55	0.0	-70.12	393.79	4.21	-65.91
C[N@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028927021	1	55	0.0	-67.98	408.07	4.77	-63.21
C[NH+](C)CC(O)CC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028927045	0	55	0.0	-78.56	419.82	2.30	-76.26
C=CCC(C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028927067	0	55	0.0	-64.30	410.06	4.75	-59.55
C[NH+]1CCC(C)(C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300028927080	0	58	0.0	-68.84	412.80	4.67	-64.17
C[NH+](C)CCSCC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028927143	0	55	0.0	-85.27	430.69	5.06	-80.21
C[NH+](C)CC(=O)N1CCC2=C(N=CN2)C12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028927377	0	49	0.0	-75.91	373.61	4.92	-70.99
C[NH+](C)CC(=O)N1CCC2=C(NC=N2)C12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028927377	1	49	0.0	-74.25	371.35	3.37	-70.88
C[C@@H](C(=O)N1CCC2=C(N=CN2)C12CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028927388	0	52	0.0	-70.13	388.67	3.78	-66.35
C[C@@H](C(=O)N1CCC2=C(NC=N2)C12CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028927388	1	52	0.0	-69.81	386.46	3.72	-66.09
C[C@@H](C(=O)N1CCC2=C(N=CN2)C12CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028927405	0	52	0.0	-70.13	388.67	3.78	-66.35
C[C@@H](C(=O)N1CCC2=C(NC=N2)C12CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028927405	1	52	0.0	-69.81	386.46	3.72	-66.09
O=C(C[NH+]1CCC1)N1CCC2=C(N=CN2)C12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028927416	1	50	0.0	-82.64	381.79	3.80	-78.84
C[C@H](C(=O)N1CCC2=C(N=CN2)C12CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028927423	0	52	0.0	-74.93	388.66	5.24	-69.69
C[C@H](C(=O)N1CCC2=C(NC=N2)C12CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300028927423	1	52	0.0	-72.54	390.00	4.44	-68.10
CC[N@H+](C)CC(=O)N1CCC2=C(N=CN2)C12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028927439	0	52	0.0	-82.10	389.43	4.06	-78.04
CC[N@@H+](C)CC(=O)N1CCC2=C(N=CN2)C12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028927439	1	52	0.0	-82.09	389.19	4.05	-78.04
CC[N@H+](C)CC(=O)N1CCC2=C(NC=N2)C12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028927439	1	52	0.0	-73.80	389.32	4.04	-69.76
CC[N@@H+](C)CC(=O)N1CCC2=C(NC=N2)C12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028927439	1	52	0.0	-73.72	389.08	4.04	-69.68
C[C@@H](C(=O)N1CCC2(C1)C1=C(CCN2C(=O)C2=CC(=O)[N-]O2)NC=N1)[NH+](C)C	REAL300028927760	0	52	0.0	-58.39	387.24	3.67	-54.72
C[C@@H](C(=O)N1CCC2(C1)C1=C(CCN2C(=O)C2=CC(=O)[N-]O2)N=CN1)[NH+](C)C	REAL300028927760	1	52	0.0	-66.67	389.07	4.82	-61.85
CC[N@H+](C)CC(=O)N1CCC2(C1)C1=C(CCN2C(=O)C2=CC(=O)[N-]O2)NC=N1	REAL300028927788	0	52	0.0	-64.71	392.05	4.47	-60.24
CC[N@@H+](C)CC(=O)N1CCC2(C1)C1=C(CCN2C(=O)C2=CC(=O)[N-]O2)NC=N1	REAL300028927788	1	52	0.0	-60.63	389.49	4.12	-56.51
CC[N@H+](C)CC(=O)N1CCC2(C1)C1=C(CCN2C(=O)C2=CC(=O)[N-]O2)N=CN1	REAL300028927788	1	52	0.0	-69.47	391.84	4.52	-64.95
CC[N@@H+](C)CC(=O)N1CCC2(C1)C1=C(CCN2C(=O)C2=CC(=O)[N-]O2)N=CN1	REAL300028927788	1	52	0.0	-65.99	389.28	4.13	-61.86
C[C@H](C(=O)N1CCC2(C1)C1=C(CCN2C(=O)C2=CC(=O)[N-]O2)NC=N1)[NH+](C)C	REAL300028927813	0	52	0.0	-61.15	388.09	3.63	-57.52
C[C@H](C(=O)N1CCC2(C1)C1=C(CCN2C(=O)C2=CC(=O)[N-]O2)N=CN1)[NH+](C)C	REAL300028927813	1	52	0.0	-67.72	388.55	4.14	-63.58
C[NH+](C)CC(=O)N1CCC2(C1)C1=C(CCN2C(=O)C2=CC(=O)[N-]O2)NC=N1	REAL300028927901	0	49	0.0	-59.05	372.63	3.27	-55.78
C[NH+](C)CC(=O)N1CCC2(C1)C1=C(CCN2C(=O)C2=CC(=O)[N-]O2)N=CN1	REAL300028927901	1	49	0.0	-70.98	373.81	4.13	-66.85
C[C@@H](C(=O)N1CCC2(C1)C1=C(CCN2C(=O)C2=CC(=O)[N-]O2)NC=N1)[NH+](C)C	REAL300028927904	0	52	0.0	-58.39	387.24	3.67	-54.72
C[C@@H](C(=O)N1CCC2(C1)C1=C(CCN2C(=O)C2=CC(=O)[N-]O2)N=CN1)[NH+](C)C	REAL300028927904	1	52	0.0	-66.67	389.07	4.82	-61.85
O=C(C[NH+]1CCC1)N1CCC2(C1)C1=C(CCN2C(=O)C2=CC(=O)[N-]O2)NC=N1	REAL300028927911	1	50	0.0	-61.35	381.72	3.76	-57.59
CN1C=NC2=C1CCN(C(=O)C[NH+](C)C)C21CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028928013	0	52	0.0	-83.15	393.66	5.03	-78.12
CN1C=NC2=C1CCN(C(=O)C1=CC(=O)[N-]O1)C21CCN(C(=O)C[NH+](C)C)C1	REAL300028928187	0	52	0.0	-66.39	395.69	5.73	-60.66
CC(CNC(=O)C1CCC[N@@H+]1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028928340	0	47	0.0	-71.28	358.22	2.28	-69.00
CC(CNC(=O)C1CCC[N@H+]1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028928340	1	47	0.0	-69.05	358.47	2.29	-66.76
CC(CNC(=O)C1C[N@H+](C)CCO1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028928364	1	48	0.0	-80.26	376.24	2.24	-78.02
CC(CNC(=O)C1C[N@@H+](C)CCO1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028928364	1	48	0.0	-77.34	376.24	2.24	-75.10
CC(CNC(=O)CCN1C=C[NH+]=C1C(C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028928566	1	54	0.0	-65.10	423.69	4.93	-60.17
CC(CNC(=O)C(C)[NH+]1CCCCCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028928574	0	56	0.0	-66.46	408.99	4.55	-61.91
CC(CNC(=O)C1CCCC[N@@H+]1C(C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028928577	0	56	0.0	-64.38	405.31	4.34	-60.04
CC(CNC(=O)C1CCCC[N@H+]1C(C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028928577	1	56	0.0	-64.01	410.95	4.27	-59.74
CC(CNC(=O)C1CCC[N@@H+]1C(C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028928613	0	53	0.0	-66.47	396.95	3.86	-62.61
CC(CNC(=O)C1CCC[N@H+]1C(C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028928613	1	53	0.0	-66.62	397.10	3.84	-62.78
CC(CNC(=O)C1CC2CCCC[N@@H+]2C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028928643	0	54	0.0	-71.27	406.39	4.54	-66.73
CC(CNC(=O)C1CC2CCCC[N@H+]2C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028928643	1	54	0.0	-69.46	405.92	4.45	-65.01
CC(CNC(=O)CN1C=C[NH+]=C1C(C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028928683	1	51	0.0	-66.68	403.81	4.47	-62.21
CC1=[NH+]C=CN1CC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028928745	1	45	0.0	-67.85	367.59	3.36	-64.49
CC(CNC(=O)C(C)C[NH+]1CCOCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028928747	0	54	0.0	-73.36	409.46	2.47	-70.89
CC(CNC(=O)CCC[NH+]1CCCCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028928770	0	56	0.0	-71.59	423.46	4.96	-66.63
CC(CNC(=O)C(C)(C)[NH+]1CCCCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028928811	0	56	0.0	-66.38	407.79	4.72	-61.66
CC(CNC(=O)C1CC[N@@H+](C2CCCCC2)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028928814	0	60	0.0	-70.19	442.70	5.69	-64.50
CC(CNC(=O)C1CC[N@H+](C2CCCCC2)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028928814	1	60	0.0	-72.23	443.44	5.62	-66.61
CC(CNC(=O)C1C[NH+]2CCC1CC2)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028928832	0	51	0.0	-72.04	379.78	3.57	-68.47
CC(CNC(=O)C1CCCC2CCC[N@@H+]21)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028928899	0	54	0.0	-62.58	402.82	4.61	-57.97
CC(CNC(=O)C1CCCC2CCC[N@H+]21)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028928899	1	54	0.0	-65.35	394.89	4.34	-61.01
CC(CNC(=O)C1=CN(CC[NH+](C)C)N=C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028928902	0	53	0.0	-78.68	422.59	3.28	-75.40
CC(CNC(=O)C1=NN(CC[NH+](C)C)C=C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028928919	0	53	0.0	-80.79	422.84	3.26	-77.53
CC(CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028928926	0	50	0.0	-70.11	375.88	2.87	-67.24
CC(CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028928926	1	50	0.0	-70.58	381.17	3.00	-67.58
CCC1=[NH+]C=CN1C(C)CC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028928930	1	54	0.0	-65.55	424.37	4.96	-60.59
CC[C@@H]1[C@@H](C(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028928933	0	53	0.0	-70.56	395.95	3.44	-67.12
CC[C@@H]1[C@@H](C(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028928933	1	53	0.0	-71.47	400.47	3.82	-67.65
CC[N@@H+]1CCOC(C(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028928963	1	51	0.0	-77.45	392.40	2.86	-74.59
CC[N@H+]1CCOC(C(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028928963	1	51	0.0	-70.46	385.25	2.69	-67.77
CC[NH+](CC)CC(F)C(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929039	0	52	0.0	-72.09	401.12	3.75	-68.34
CC(CNC(=O)C1=C(C[NH+](C)C)C=CS1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929040	0	50	0.0	-64.43	403.78	4.33	-60.10
CC(CNC(=O)C[NH+]1C(C)CCC1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929169	0	53	0.0	-67.66	395.31	3.76	-63.90
CC(CNC(=O)CCC[NH+]1CCCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929180	0	53	0.0	-71.49	408.24	4.29	-67.20
CC(CNC(=O)C1=CC=CC(C[NH+](C)C)=C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929181	0	53	0.0	-73.99	416.43	5.25	-68.74
C#CC[NH+]1CCC(C(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028929191	0	52	0.0	-76.39	406.95	4.66	-71.73
CC(CNC(=O)CC[NH+]1CCCCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929193	0	53	0.0	-70.92	401.96	4.17	-66.75
CC(CNC(=O)C1=CC=CC=C1C[NH+](C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929197	0	53	0.0	-61.99	409.12	5.48	-56.51
CC[N@@H+]1CCCCC1C(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929209	0	53	0.0	-65.88	397.58	4.01	-61.87
CC[N@H+]1CCCCC1C(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929209	1	53	0.0	-66.40	388.70	3.85	-62.55
CC(CNC(=O)C(C(C)C)[NH+]1CCCCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929210	0	59	0.0	-63.02	422.79	5.70	-57.32
CC(CNC(=O)C(C1=CC=CC=C1)[NH+](C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929214	1	53	0.0	-65.81	413.00	5.26	-60.55
CC(C)C[N@@H+]1CCC(C(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028929241	0	56	0.0	-70.64	423.50	4.74	-65.90
CC(C)C[N@H+]1CCC(C(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028929241	1	56	0.0	-71.73	422.88	4.67	-67.06
CC(CNC(=O)C1([NH+](C)C)CCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929245	0	50	0.0	-71.17	372.39	2.97	-68.20
CC(CNC(=O)C1CCC[N@@H+]1C1CCOCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929248	0	58	0.0	-71.03	423.48	3.45	-67.58
CC(CNC(=O)C1CCC[N@H+]1C1CCOCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929248	1	58	0.0	-70.72	429.83	3.33	-67.39
CC(CNC(=O)C(CN1C=CC=N1)[NH+](C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929250	1	53	0.0	-63.72	407.17	3.35	-60.37
CC(CNC(=O)CC1CCC[N@@H+]1C(C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929257	0	56	0.0	-65.77	406.38	3.88	-61.89
CC(CNC(=O)CC1CCC[N@H+]1C(C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929257	1	56	0.0	-63.31	407.37	4.28	-59.03
CC(CNC(=O)C1CCC[N@@H+]1C1CCCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929258	0	57	0.0	-70.04	414.33	5.05	-64.99
CC(CNC(=O)C1CCC[N@H+]1C1CCCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929258	1	57	0.0	-66.03	423.81	5.16	-60.87
CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929288	0	52	0.0	-69.35	384.08	3.30	-66.05
CC(CNC(=O)C[N@H+](C)C1CCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929361	0	50	0.0	-69.42	384.27	3.72	-65.70
CC(CNC(=O)C[N@@H+](C)C1CCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929361	1	50	0.0	-68.97	384.38	3.73	-65.24
CC(CNC(=O)C(C)[NH+]1C(C)CCC1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929466	0	56	0.0	-63.18	407.90	4.27	-58.91
CC(CNC(=O)CCN(C)C1=CC=[NH+]C=C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929551	0	52	0.0	-69.73	413.14	3.43	-66.30
C#CC[N@H+]1CCC[C@H]1C(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929565	1	49	0.0	-67.88	384.62	3.55	-64.33
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929565	1	49	0.0	-68.24	390.14	4.10	-64.14
CC(CNC(=O)CCC1CCC[N@@H+]1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929576	0	53	0.0	-70.66	399.85	3.79	-66.87
CC(CNC(=O)CCC1CCC[N@H+]1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929576	1	53	0.0	-72.97	405.66	4.27	-68.70
CC(CNC(=O)C12CCC[NH+](CCC1)C2)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929593	0	54	0.0	-71.54	395.81	3.96	-67.58
CC(CNC(=O)C1CCC2CCCC[N@@H+]21)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929601	0	54	0.0	-66.20	399.12	4.26	-61.94
CC(CNC(=O)C1CCC2CCCC[N@H+]21)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929601	1	54	0.0	-64.17	406.13	4.71	-59.46
CC(CNC(=O)C(C)(C)C[NH+]1CCOCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929613	0	57	0.0	-66.79	419.13	2.86	-63.93
CC[NH+](CC)CC1=CC=C(C(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)O1	REAL300028929630	0	56	0.0	-73.35	434.04	4.66	-68.69
CC(CNC(=O)CCCC[NH+]1CCCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929635	0	56	0.0	-72.20	429.73	5.07	-67.13
CC(CNC(=O)C[N@H+](C)CC1=CC=CC=C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929638	1	53	0.0	-75.28	414.86	5.34	-69.94
CC(CNC(=O)C[N@@H+](C)CC1=CC=CC=C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929638	1	53	0.0	-73.39	415.06	5.35	-68.04
CC(CNC(=O)C1CC[NH+](C)CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929656	0	50	0.0	-72.94	382.86	3.44	-69.50
CC(CNC(=O)C1=NOC(C[NH+](C)C)=C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929729	1	49	0.0	-79.76	397.27	2.77	-76.99
CC1=C(C(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300028929731	0	48	0.0	-73.70	390.73	5.46	-68.24
CC(CNC(=O)C1CCCC[N@@H+]1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929790	0	50	0.0	-69.50	370.85	3.16	-66.34
CC(CNC(=O)C1CCCC[N@H+]1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929790	1	50	0.0	-68.13	371.05	3.24	-64.89
CC(C)C[N@@H+]1CCCC1C(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929827	0	56	0.0	-65.76	417.21	4.42	-61.34
CC(C)C[N@H+]1CCCC1C(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929827	1	56	0.0	-65.87	422.91	4.98	-60.89
CC(CNC(=O)C1=CN2C=[NH+]C=C2C=C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930016	0	45	0.0	-71.80	368.58	5.26	-66.54
CC1=[NH+]C=CN1CCCC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930032	1	51	0.0	-69.48	409.13	4.65	-64.83
CC(CNC(=O)CCCC[NH+]1CCOCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930036	1	57	0.0	-75.13	436.53	3.37	-71.76
CC(CNC(=O)C1=CC=C(C[NH+](C)C)C=C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930042	0	53	0.0	-78.85	416.29	5.23	-73.62
CC(CNC(=O)CC[NH+]1CCOCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930043	1	51	0.0	-73.82	393.54	1.78	-72.04
CC(CNC(=O)C(C)(C1=CC=CC=C1)[NH+](C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930065	0	56	0.0	-73.53	413.31	5.43	-68.10
CCC[NH+](CCC)CCCC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930073	0	61	0.0	-71.44	460.37	5.94	-65.50
CC[N@H+](C)C(C(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300028930074	0	56	0.0	-64.20	432.25	5.89	-58.31
CC[N@@H+](C)C(C(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300028930074	1	56	0.0	-66.75	430.67	5.88	-60.87
CC1=C[NH+]=CN1CC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930101	1	45	0.0	-71.29	367.92	4.09	-67.20
CC(CNC(=O)CN1C=[NH+]C2=C1CCCC2)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930115	1	52	0.0	-70.50	409.74	5.82	-64.68
CC(CNC(=O)C1(C[NH+](C)C)CCCCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930163	0	59	0.0	-67.07	423.50	5.26	-61.81
CC(CNC(=O)C1=CC=CC=C1CC[NH+](C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930164	0	56	0.0	-66.92	428.19	5.99	-60.93
CC(CNC(=O)CC[N@H+](C)C1CCCCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930171	0	59	0.0	-71.70	436.68	5.35	-66.35
CC(CNC(=O)CC[N@@H+](C)C1CCCCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930171	1	59	0.0	-71.96	436.68	5.36	-66.60
CC(CNC(=O)C12CCC[NH+]1CCC2)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930177	0	51	0.0	-67.21	382.93	3.75	-63.46
CC(CNC(=O)C1CCCC([NH+](C)C)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930221	0	56	0.0	-66.64	410.72	4.42	-62.22
CC(CNC(=O)CC1CC[N@H+](C)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930228	0	50	0.0	-72.40	384.60	3.36	-69.04
CC(CNC(=O)CC1CC[N@@H+](C)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930228	1	50	0.0	-73.64	384.82	3.36	-70.28
CC(CNC(=O)C1=C[NH+]=CC=C1N(C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930242	0	49	0.0	-76.87	387.91	2.58	-74.29
CCC(C(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028930248	0	49	0.0	-66.84	368.71	2.80	-64.04
CC(CNC(=O)CC1([NH+](C)C)CCCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930273	0	56	0.0	-72.26	402.10	4.20	-68.06
CC(CNC(=O)C1=CC2=C[NH+]=CN2C=C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930352	1	45	0.0	-76.12	368.59	5.25	-70.87
CC(CNC(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930401	1	48	0.0	-79.94	397.97	3.22	-76.72
CC(CNC(=O)CCCC[NH+](C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930436	0	52	0.0	-73.22	403.63	3.91	-69.31
CC(CNC(=O)C(C(C)C)[NH+](C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930461	0	52	0.0	-68.22	384.78	4.29	-63.93
CCC[N@H+](C)CCC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930463	0	52	0.0	-72.30	400.01	3.72	-68.58
CCC[N@@H+](C)CCC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930463	1	52	0.0	-71.87	399.87	3.72	-68.15
CCC[N@H+](C)CC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930470	0	49	0.0	-71.15	377.39	3.15	-68.00
CCC[N@@H+](C)CC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930470	1	49	0.0	-69.61	377.64	3.16	-66.45
CC(CNC(=O)C12CC[N@H+](C1)CCC2)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930503	0	51	0.0	-76.54	380.11	2.98	-73.56
CC(CNC(=O)C12CC[N@@H+](C1)CCC2)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930503	1	51	0.0	-71.00	380.44	3.00	-68.00
CC(CNC(=O)[C@H]1CCC[N@@H+]1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930579	0	47	0.0	-66.23	363.36	2.85	-63.38
CC(CNC(=O)[C@H]1CCC[N@H+]1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930579	1	47	0.0	-69.07	358.50	2.29	-66.78
CC(CNC(=O)C1CCC2CC(C)C[N@@H+]2C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930609	0	57	0.0	-63.29	420.52	5.37	-57.92
CC(CNC(=O)C1CCC2CC(C)C[N@H+]2C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930609	1	57	0.0	-69.45	426.01	5.18	-64.27
CCCCCC[N@H+](C)CC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930669	0	58	0.0	-72.36	441.88	5.49	-66.87
CCCCCC[N@@H+](C)CC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930669	1	58	0.0	-72.43	441.88	5.50	-66.93
CC[NH+](CC)C(C(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300028930681	0	58	0.0	-63.34	418.17	4.90	-58.44
CC[NH+](CC)CC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930694	0	49	0.0	-67.64	369.39	2.84	-64.80
CCC[N@@H+]1CCCC(C(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028930729	0	56	0.0	-69.70	422.19	4.78	-64.92
CCC[N@H+]1CCCC(C(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028930729	1	56	0.0	-70.14	422.17	4.79	-65.35
CC(CNC(=O)C1CCCC[N@@H+]1C1CCCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930742	0	60	0.0	-63.30	435.11	5.54	-57.76
CC(CNC(=O)C1CCCC[N@H+]1C1CCCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930742	1	60	0.0	-66.24	430.80	5.68	-60.56
CC(CNC(=O)C1C[N@@H+](C(C)C)CCO1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930755	0	54	0.0	-68.71	403.02	3.21	-65.50
CC(CNC(=O)C1C[N@H+](C(C)C)CCO1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930755	1	54	0.0	-66.40	403.68	3.26	-63.14
CC(CNC(=O)C[NH+]1CCC(C)CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930799	0	53	0.0	-69.50	401.30	4.26	-65.24
CC(CNC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930833	1	48	0.0	-79.42	396.48	3.22	-76.20
CC(CNC(=O)COC1CC[NH+](C)CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930843	0	54	0.0	-77.70	418.11	3.84	-73.86
CC(CNC(=O)C1(C[NH+](C)C)CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930863	0	50	0.0	-68.75	389.55	3.45	-65.30
CC1=[NH+]C=C2CCC(C(=O)NCC(C)CN(C)C(=O)C3=CC(=O)[N-]O3)CN21	REAL300028930864	1	52	0.0	-66.29	404.81	4.52	-61.77
CC(CNC(=O)C1CC[NH+](C(C)C)CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930976	0	56	0.0	-70.19	413.52	4.40	-65.79
CC(CNC(=O)C1CC[NH+](C)CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931008	0	50	0.0	-72.94	382.86	3.44	-69.50
CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931031	0	52	0.0	-68.68	387.72	3.95	-64.73
CCC(C(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300028931071	0	55	0.0	-63.99	400.92	3.81	-60.18
CC[N@H+](C)CCC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931175	0	49	0.0	-71.25	378.37	2.97	-68.28
CC[N@@H+](C)CCC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931175	1	49	0.0	-72.73	378.25	2.95	-69.78
CC(CNC(=O)C[N@@H+]1CCCC1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931264	0	50	0.0	-68.32	383.06	3.58	-64.74
CC(CNC(=O)C[N@H+]1CCCC1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931264	1	50	0.0	-66.66	383.80	3.47	-63.19
CC(CNC(=O)C[N@@H+]1CCC(C)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931267	0	50	0.0	-70.52	383.46	3.55	-66.97
CC(CNC(=O)C[N@H+]1CCC(C)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931267	1	50	0.0	-70.53	383.46	3.54	-66.99
CC(CNC(=O)C1(F)CC[N@@H+](C(C)(C)C)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931268	0	56	0.0	-69.00	419.60	4.10	-64.90
CC(CNC(=O)C1(F)CC[N@H+](C(C)(C)C)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931268	1	56	0.0	-65.22	420.34	4.09	-61.13
CC1=[NH+]C=C2CC(C(=O)NCC(C)CN(C)C(=O)C3=CC(=O)[N-]O3)CCN21	REAL300028931270	1	52	0.0	-68.34	407.39	4.51	-63.83
CC(CNC(=O)C1=CC=C(CC[NH+](C)C)C=C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931272	0	56	0.0	-79.65	438.80	6.08	-73.57
CC(CNC(=O)C[N@@H+]1CCC(C)(C)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931274	0	53	0.0	-70.39	403.46	4.06	-66.33
CC(CNC(=O)C[N@H+]1CCC(C)(C)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931274	1	53	0.0	-70.32	402.93	4.04	-66.28
CC(CNC(=O)C[N@H+](C)CC(C)(C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931275	0	55	0.0	-70.78	408.52	4.31	-66.47
CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931275	1	55	0.0	-70.95	405.45	4.15	-66.80
CC(CNC(=O)C[N@H+](C)CCC1=CC=CC=C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931276	0	56	0.0	-73.64	437.54	6.19	-67.45
CC(CNC(=O)C[N@@H+](C)CCC1=CC=CC=C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931276	1	56	0.0	-73.49	437.55	6.20	-67.29
CC[C@@H](C(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028931288	0	49	0.0	-68.53	368.62	2.77	-65.76
CC(CNC(=O)COCC(C)[NH+]1CCCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931296	0	57	0.0	-68.45	436.86	4.53	-63.92
CC(CNC(=O)C1CC[NH+](CC2CC2)CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931413	0	57	0.0	-74.88	430.97	5.64	-69.24
CC(CNC(=O)CC1(O)CC[NH+](C)CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931585	0	54	0.0	-72.06	408.71	2.06	-70.00
COCC[N@@H+]1CCCC1CC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931594	0	57	0.0	-63.97	428.73	3.65	-60.32
COCC[N@H+]1CCCC1CC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931594	1	57	0.0	-69.78	436.49	3.24	-66.54
CC(CNC(=O)C[NH+]1CCC(CO)CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931607	1	54	0.0	-70.89	412.13	0.95	-69.94
CC(CNC(=O)C[NH+]1CCCCCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931611	0	53	0.0	-70.20	389.23	3.80	-66.40
CC(CNC(=O)C[N+]1=CN(C)C=C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931616	0	45	0.0	-67.35	369.64	5.26	-62.09
CC(CNC(=O)C1CCC[N@H+](C)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931629	0	50	0.0	-64.14	377.18	3.62	-60.52
CC(CNC(=O)C1CCC[N@@H+](C)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931629	1	50	0.0	-66.77	376.24	3.64	-63.13
CC(CNC(=O)C1CCC[N@@H+]1C1CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931634	0	51	0.0	-71.40	391.13	3.85	-67.55
CC(CNC(=O)C1CCC[N@H+]1C1CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931634	1	51	0.0	-65.56	388.80	3.61	-61.95
CC(CNC(=O)C(C)[NH+]1CCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931675	1	47	0.0	-66.67	367.72	2.71	-63.96
CCC(CC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300028931687	0	55	0.0	-65.88	412.97	4.37	-61.51
CC(CNC(=O)C(C)(C)C[NH+](C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931696	0	52	0.0	-68.46	385.08	3.49	-64.97
CC(CNC(=O)C12CC(C1)C[N@@H+]2C1CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931720	0	52	0.0	-68.21	387.26	4.09	-64.12
CC(CNC(=O)C12CC(C1)C[N@H+]2C1CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931720	1	52	0.0	-68.75	394.95	5.00	-63.75
CC(CNC(=O)C[NH+]1CCC(O)CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931748	1	51	0.0	-73.51	391.22	0.27	-73.24
CC(CNC(=O)C[N@H+](C)C1CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931750	0	47	0.0	-67.14	367.67	3.18	-63.96
CC(CNC(=O)C[N@@H+](C)C1CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931750	1	47	0.0	-67.13	367.82	3.16	-63.97
CC(CNC(=O)C(C)N1CC[NH+](C)CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931751	1	55	0.0	-71.02	411.43	1.63	-69.39
CC(CNC(=O)CC1C[NH+](C)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931787	0	47	0.0	-71.97	369.72	2.59	-69.38
CC(CNC(=O)C1CC[N@@H+]1C1CCCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931791	0	54	0.0	-67.76	404.19	4.21	-63.55
CC(CNC(=O)C1CC[N@H+]1C1CCCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931791	1	54	0.0	-67.18	402.76	4.31	-62.87
CC(CNC(=O)C1CC[N@@H+]1C(C)(C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931800	0	53	0.0	-65.26	399.73	3.52	-61.74
CC(CNC(=O)C1CC[N@H+]1C(C)(C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931800	1	53	0.0	-67.36	400.46	3.49	-63.87
CC(CNC(=O)C1CCN(C2=CC=[NH+]C=C2)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931813	0	53	0.0	-70.34	414.38	2.27	-68.07
CC(CNC(=O)[C@H](C)[NH+](C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931817	0	46	0.0	-69.95	355.80	2.17	-67.78
CCC1CCC[N@H+](CC(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028931876	0	56	0.0	-71.16	418.89	4.91	-66.25
CCC1CCC[N@@H+](CC(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028931876	1	56	0.0	-71.09	418.86	4.91	-66.18
CC(CNC(=O)C1=CC=C(C[NH+](C)C)N1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931886	0	51	0.0	-79.73	404.99	3.18	-76.55
CC(CNC(=O)CC1CC2CCC(C1)[NH+]2C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931903	0	57	0.0	-69.44	403.12	4.17	-65.27
CC(CNC(=O)CC(C1=CC=CC=C1)[NH+](C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931910	0	56	0.0	-75.50	427.32	5.77	-69.73
CC(CNC(=O)CN1C=CSC1=[NH2+])CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931958	0	43	0.0	-67.01	365.22	1.92	-65.09
CC(CNC(=O)CC[N@H+](C)CCO)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931971	0	50	0.0	-70.81	388.72	-0.24	-71.05
CC(CNC(=O)CC[N@@H+](C)CCO)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931971	1	50	0.0	-71.30	388.70	-0.25	-71.55
CC(CNC(=O)[C@H](C)[NH+](C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931972	0	46	0.0	-69.95	355.80	2.17	-67.78
CC(CNC(=O)[C@H]1CCCC[N@@H+]1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931977	0	50	0.0	-67.37	380.67	3.38	-63.99
CC(CNC(=O)[C@H]1CCCC[N@H+]1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931977	1	50	0.0	-68.69	369.68	3.22	-65.47
CC(CNC(=O)C1C[N@@H+]2CCN1CC2C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931988	0	53	0.0	-74.56	391.58	0.77	-73.79
CC(CNC(=O)C1C[N@H+]2CCN1CC2C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931988	1	53	0.0	-70.74	391.74	0.78	-69.96
COC1C[N@@H+]2CCCC2(C(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028932042	0	55	0.0	-72.13	415.71	2.80	-69.33
COC1C[N@H+]2CCCC2(C(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028932042	1	55	0.0	-66.75	416.25	2.74	-64.01
CC(CNC(=O)CC1=CC2=C[NH+]=CN2C=C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932060	0	48	0.0	-70.55	392.68	5.95	-64.60
CC(CNC(=O)C[N@H+](C)C1CCSC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932097	0	51	0.0	-76.37	397.42	3.99	-72.38
CC(CNC(=O)C[N@@H+](C)C1CCSC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932097	1	51	0.0	-75.83	397.65	3.97	-71.86
CC(CNC(=O)C[NH+]1CCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932098	1	44	0.0	-69.36	348.37	2.19	-67.17
CC(CNC(=O)C1=CC=NC(C[NH+](C)C)=C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932142	1	52	0.0	-71.20	412.54	3.40	-67.80
CC(CNC(=O)C=C1CC[N@H+](C)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932144	0	48	0.0	-75.24	376.99	3.29	-71.95
CC(CNC(=O)C=C1CC[N@@H+](C)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932144	1	48	0.0	-75.67	375.07	3.34	-72.33
CC(CNC(=O)C1C[NH+](C2CCCCC2)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932175	0	57	0.0	-71.26	430.25	5.11	-66.15
CC(CNC(=O)COCC[NH+](C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932196	0	50	0.0	-70.27	393.97	2.82	-67.45
CCCCC[N@H+](C)CCC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932204	0	58	0.0	-72.87	442.86	5.28	-67.59
CCCCC[N@@H+](C)CCC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932204	1	58	0.0	-72.76	442.86	5.29	-67.47
CC(CNC(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932216	0	54	0.0	-72.27	417.24	3.72	-68.55
C=CCC(C)(C(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028932228	0	53	0.0	-68.79	389.18	3.52	-65.27
CC(CNC(=O)C(O)CC[S+](C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932233	0	49	0.0	-70.87	403.12	1.44	-69.43
CC(CNC(=O)C1(C)CC(O)C[N@@H+]1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932276	0	51	0.0	-74.34	387.20	-0.10	-74.44
CC(CNC(=O)C1CN(C)CC[N@H+](C)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932291	0	55	0.0	-69.14	408.79	1.91	-67.23
CC(CNC(=O)C1CN(C)CC[N@@H+](C)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932291	1	55	0.0	-69.14	408.79	1.91	-67.23
CC(CNC(=O)C(C)[N@@H+]1CCCC(O)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932292	0	54	0.0	-68.97	406.27	0.95	-68.02
CC(CNC(=O)CN1CCC(CO)CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932310	0	54	0.0	-70.89	412.13	0.95	-69.94
CC(CNC(=O)C[NH+]1CCC(CO)CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932310	1	54	0.0	-70.89	412.13	0.95	-69.94
CC(CNC(=O)CC1(O)CCC[N@H+](C)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932321	0	54	0.0	-68.33	399.40	1.95	-66.38
CC(CNC(=O)CC1(O)CCC[N@@H+](C)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932321	1	54	0.0	-68.33	399.40	1.95	-66.38
CC(CNC(=O)CN1CC(C)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932325	0	47	0.0	-69.37	369.54	2.86	-66.51
CC(CNC(=O)C[NH+]1CC(C)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932325	1	47	0.0	-69.37	369.54	2.86	-66.51
CC(CNC(=O)CN(C)CCO)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932357	0	47	0.0	-72.06	366.24	-0.82	-72.88
CC(CNC(=O)C[N@H+](C)CCO)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932357	1	47	0.0	-71.04	366.02	-0.80	-71.84
CC(CNC(=O)C[N@@H+](C)CCO)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932357	1	47	0.0	-71.04	366.02	-0.80	-71.84
CC(CNC(=O)C=C1CC2CCC(C1)[NH+]2C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932390	0	55	0.0	-71.10	411.37	4.70	-66.40
CC(CNC(=O)C1C[N@@H+]2CCN1CCC2)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932395	0	53	0.0	-76.86	385.03	1.55	-75.31
CC(CNC(=O)C1C[N@H+]2CCN1CCC2)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932395	1	53	0.0	-76.86	385.03	1.55	-75.31
CC[N@@H+]1CCCC(C(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028932406	0	53	0.0	-70.67	399.44	4.05	-66.62
CC[N@H+]1CCCC(C(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028932406	1	53	0.0	-70.67	399.44	4.05	-66.62
CC(CNC(=O)CC(C)C[NH+](C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932408	0	52	0.0	-72.19	395.46	3.77	-68.42
CC[N@H+](C)CC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932426	0	46	0.0	-69.28	356.14	2.41	-66.87
CC(CNC(=O)C12CCC[N@@H+]1CCCC2)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932458	0	54	0.0	-63.73	392.60	4.37	-59.36
CC(CNC(=O)C12CCC[N@H+]1CCCC2)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932458	1	54	0.0	-63.73	392.60	4.37	-59.36
CC(CNC(=O)C12CCC[N@@H+]1CC=CC2)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932468	0	52	0.0	-68.13	384.60	4.33	-63.80
CC(CNC(=O)C12CCC[N@H+]1CC=CC2)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932468	1	52	0.0	-68.13	384.60	4.33	-63.80
CC[N@H+](CC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028932501	0	50	0.0	-66.45	384.50	3.77	-62.68
CC[NH+](CC)CCC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932526	0	52	0.0	-70.44	391.84	3.40	-67.04
CC(CNC(=O)CN1CC(C)(C)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932567	0	50	0.0	-69.40	388.88	3.39	-66.01
CC(CNC(=O)C[NH+]1CC(C)(C)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932567	1	50	0.0	-69.40	388.88	3.39	-66.01
CC(CNC(=O)CCCC[NH+]1CCCCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932573	0	59	0.0	-72.31	444.96	5.75	-66.56
CC(CNC(=O)C[N@@H+]1CCC(C)(O)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932611	0	51	0.0	-69.98	395.27	0.19	-69.79
CC(CNC(=O)C=CC[NH+](C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932624	0	47	0.0	-75.12	375.50	3.02	-72.10
CC(CNC(=O)C(C)OCC[NH+](C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932655	0	53	0.0	-71.35	413.94	3.52	-67.83
CC(CNC(=O)CCOCC[NH+](C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932668	0	53	0.0	-71.44	415.10	2.56	-68.88
COCCN(C)CC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932669	0	50	0.0	-70.77	388.28	1.61	-69.16
COCC[N@H+](C)CC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932669	1	50	0.0	-72.14	388.49	1.58	-70.56
COCC[N@@H+](C)CC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932669	1	50	0.0	-72.14	388.49	1.58	-70.56
COCCCC[N@H+](C)CCC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932707	0	59	0.0	-75.52	455.04	3.58	-71.94
COCCCC[N@@H+](C)CCC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932707	1	59	0.0	-75.52	455.04	3.58	-71.94
CC(CNC(=O)C1([NH+](C)C)CCCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932735	0	53	0.0	-72.11	389.84	3.91	-68.20
CC(CNC(=O)CCC(C)[NH+](C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932738	0	52	0.0	-70.89	395.31	3.50	-67.39
CCN1CCC1C(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932749	0	47	0.0	-68.86	362.01	2.50	-66.36
CC[N@@H+]1CCC1C(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932749	1	47	0.0	-70.05	369.53	2.83	-67.22
CC[N@H+]1CCC1C(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932749	1	47	0.0	-70.05	369.53	2.83	-67.22
CC(CNC(=O)C1CCC[N@@H+](C(C)C)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932765	0	56	0.0	-64.39	411.07	4.75	-59.64
CC(CNC(=O)C1CCC[N@H+](C(C)C)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932765	1	56	0.0	-64.39	411.07	4.75	-59.64
CC(CNC(=O)C1CCN(C2=NC=CN2C)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932766	0	54	0.0	-66.33	422.85	4.36	-61.97
CC(CNC(=O)C1CCN(C2=[NH+]C=CN2C)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932766	1	54	0.0	-66.33	422.85	4.36	-61.97
CC(CNC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932773	0	56	0.0	-71.43	432.61	5.77	-65.66
CC(CNC(=O)C[N@@H+]1CCCC1CO)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932782	0	51	0.0	-69.81	392.74	0.36	-69.45
CC(CNC(=O)C1CC2CCCC[N@@H+]2C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932815	0	54	0.0	-69.46	405.92	4.45	-65.01
CC(CNC(=O)C1CC2CCCC[N@H+]2C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932815	1	54	0.0	-69.46	405.92	4.45	-65.01
CC(CNC(=O)C1(C)CC[NH+](C)CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932826	0	53	0.0	-66.57	395.53	3.85	-62.72
CC(CNC(=O)C(C)[NH+]1CCC(O)CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932855	0	54	0.0	-69.73	409.25	0.69	-69.04
C#CC1(O)CC[NH+](C(C)C(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028932864	0	56	0.0	-70.17	431.35	1.65	-68.52
C=CCC(C(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028932876	0	50	0.0	-66.44	381.76	3.25	-63.19
CC(CNC(=O)C12CCC([NH+](C)C)(CC1)CC2)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932889	0	60	0.0	-75.21	427.92	5.01	-70.20
CC(CNC(=O)C1CC(C)(C)C[N@@H+]1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932897	0	53	0.0	-69.38	398.74	3.37	-66.01
CC(CNC(=O)C1CC(C)(C)C[N@H+]1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932897	1	53	0.0	-68.67	398.03	3.46	-65.21
CC(CNC(=O)CCCCC[NH+](C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932902	0	55	0.0	-73.01	425.13	4.68	-68.33
CC(CNC(=O)C[NH+]1CC2CC2C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932914	0	48	0.0	-69.36	373.76	3.62	-65.74
CC(CNC(=O)C1CCC1[N@@H+]1CCOC(C)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932935	0	58	0.0	-69.46	442.18	3.61	-65.85
CC(CNC(=O)C1CCC1[N@H+]1CCOC(C)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932935	1	58	0.0	-71.84	434.05	4.14	-67.70
CC(CNC(=O)C1C[N@@H+]2CCN1C(C)C2)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932963	0	53	0.0	-74.42	391.30	0.75	-73.67
CC(CNC(=O)C1C[N@H+]2CCN1C(C)C2)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932963	1	53	0.0	-70.93	381.98	1.33	-69.60
CCCC(C(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028932965	0	52	0.0	-68.51	390.62	3.58	-64.93
CC(CNC(=O)C(C)(C)[NH+](C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932971	0	49	0.0	-68.82	365.73	2.93	-65.89
CC[NH+](CC)CCSCC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933020	0	56	0.0	-73.70	440.41	5.04	-68.66
CC(CNC(=O)C1CCCC[N@@H+]1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933032	0	50	0.0	-69.50	370.85	3.16	-66.34
CC(CNC(=O)C1CCCC[N@H+]1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933032	1	50	0.0	-68.13	371.05	3.24	-64.89
CC(CNC(=O)CC1=CC[N@H+](C)CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933094	0	51	0.0	-70.84	397.42	4.09	-66.75
CC(CNC(=O)CC1=CC[N@@H+](C)CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933094	1	51	0.0	-69.62	397.55	4.09	-65.53
CC(CNC(=O)CC1([NH+]2CCCC2)CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933107	0	54	0.0	-66.79	403.38	4.51	-62.28
CC(CNC(=O)C1(C[NH+]2CCCC2)CCCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933134	0	60	0.0	-69.23	435.86	6.09	-63.14
CC(CNC(=O)C(C)(C)C1CCC[N@H+](C)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933174	0	59	0.0	-74.00	421.18	4.48	-69.52
CC(CNC(=O)C(C)(C)C1CCC[N@@H+](C)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933174	1	59	0.0	-74.00	421.18	4.48	-69.52
CC(CNC(=O)C1=CC=C(CN(C)C)O1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933179	0	50	0.0	-75.15	401.76	3.47	-71.68
CC(CNC(=O)C1=CC=C(C[NH+](C)C)O1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933179	1	50	0.0	-75.15	401.76	3.47	-71.68
CC(CNC(=O)C=CC[NH+]1CCCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933206	0	51	0.0	-74.82	400.46	4.16	-70.66
CC(CNC(=O)C1CC[NH+](C2CC2)CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933238	0	54	0.0	-73.17	406.63	4.65	-68.52
CC(CNC(=O)C1C[N@H+](C)CC1C(F)(F)F)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933263	0	50	0.0	-77.28	392.17	3.55	-73.73
CC(CNC(=O)C1C[N@@H+](C)CC1C(F)(F)F)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933263	1	50	0.0	-77.28	392.17	3.55	-73.73
CC(CNC(=O)CC[NH+]1CCCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933269	0	50	0.0	-70.96	386.74	3.48	-67.48
CC(CNC(=O)C1CC(=O)N(C2CN(C)C2)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933280	0	55	0.0	-74.35	426.77	2.47	-71.88
CC(CNC(=O)C1CC(=O)N(C2C[NH+](C)C2)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933280	1	55	0.0	-74.35	426.77	2.47	-71.88
CC(CNC(=O)C1C[NH+]2CCN1CC2)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933331	0	50	0.0	-72.65	374.78	0.26	-72.39
CC(CNC(=O)C12CC(C1)C[N@@H+]2C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933342	0	48	0.0	-72.67	370.15	2.96	-69.71
CC1=C(C(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)C=NN1CC[NH+](C)C	REAL300028933358	0	56	0.0	-80.35	438.30	3.75	-76.60
CC(CNC(=O)C[N@@H+]1CC2CCC1C2)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933361	0	51	0.0	-67.17	385.31	3.87	-63.30
CC(CNC(=O)C[N@H+]1CC2CCC1C2)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933361	1	51	0.0	-67.17	385.31	3.87	-63.30
CC(CNC(=O)CC1CC[NH+](C(C)C)CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933378	0	59	0.0	-69.26	432.14	5.09	-64.17
CC(CNC(=O)C=C1C[NH+]2CCC1CC2)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933433	0	52	0.0	-69.30	394.29	4.13	-65.17
CC(CNC(=O)CN1CC2C=CC1C2)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933446	0	49	0.0	-67.25	377.76	3.73	-63.52
CC(CNC(=O)C[N@@H+]1CC2C=CC1C2)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933446	1	49	0.0	-67.08	377.62	3.74	-63.34
CC(CNC(=O)C[N@H+]1CC2C=CC1C2)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933446	1	49	0.0	-67.08	377.62	3.74	-63.34
CC(CNC(=O)C(C[NH+](C)C)C1=CC=CC=C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933489	0	56	0.0	-65.97	435.78	5.77	-60.20
CC(CNC(=O)C(C)C[NH+](C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933523	0	49	0.0	-64.43	376.17	3.16	-61.27
CC(CNC(=O)CC1CCCC[N@@H+]1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933635	0	53	0.0	-73.13	396.01	4.00	-69.13
CC(CNC(=O)CC1CCCC[N@H+]1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933635	1	53	0.0	-73.13	396.01	4.00	-69.13
CC1=C2C=C(C(=O)NCC(C)CN(C)C(=O)C3=CC(=O)[N-]O3)C=CN2C=N1	REAL300028933658	0	48	0.0	-73.29	390.77	5.83	-67.46
CC1=C2C=C(C(=O)NCC(C)CN(C)C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300028933658	1	48	0.0	-73.29	390.77	5.83	-67.46
CC(CNC(=O)C(C)N1CC(C)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933659	0	50	0.0	-68.78	386.38	3.46	-65.32
CC(CNC(=O)C(C)[NH+]1CC(C)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933659	1	50	0.0	-68.78	386.38	3.46	-65.32
CC(CNC(=O)CN1CCC1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933663	0	47	0.0	-70.21	369.52	2.83	-67.38
CC(CNC(=O)C[N@@H+]1CCC1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933663	1	47	0.0	-68.35	370.15	2.90	-65.45
CC(CNC(=O)C[N@H+]1CCC1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933663	1	47	0.0	-68.35	370.15	2.90	-65.45
CC(CNC(=O)CC(O)C[NH+](C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933668	0	50	0.0	-75.15	390.75	0.80	-74.35
CC(CNC(=O)C1CN(C)CC(C)O1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933709	0	51	0.0	-76.71	388.69	2.79	-73.92
CC(CNC(=O)C1C[N@H+](C)CC(C)O1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933709	1	51	0.0	-79.71	390.29	2.92	-76.79
CC(CNC(=O)C1C[N@@H+](C)CC(C)O1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933709	1	51	0.0	-79.71	390.29	2.92	-76.79
CC(CNC(=O)CC[NH+]1CCC(O)CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933723	0	54	0.0	-75.63	413.25	0.82	-74.81
CCC[N@@H+]1CCCCC1C(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933726	0	56	0.0	-68.35	410.05	4.57	-63.78
CCC[N@H+]1CCCCC1C(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933726	1	56	0.0	-68.35	410.05	4.57	-63.78
CC[NH+]1CCN(CCC(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028933730	0	58	0.0	-71.99	436.88	2.42	-69.57
CCN1CC[NH+](CCC(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028933730	1	58	0.0	-71.99	436.88	2.42	-69.57
CC(CNC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933733	0	57	0.0	-62.76	413.54	5.27	-57.49
CC(CNC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933733	1	57	0.0	-62.76	413.54	5.27	-57.49
CC(C)C[NH+]1CCC(C(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028933787	0	59	0.0	-72.38	439.31	5.53	-66.85
CC(CNC(=O)CN1CCC([NH+](C)C)CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933820	0	58	0.0	-72.23	431.60	2.48	-69.75
CC(CNC(=O)[C@H]1C[C@H]([NH+](C)C)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933845	0	50	0.0	-71.49	386.80	3.48	-68.01
CC(CNC(=O)C(C)CC[NH+](C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933855	0	52	0.0	-71.88	398.31	3.65	-68.23
CC(CNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933893	0	54	0.0	-67.55	409.64	1.17	-66.38
CC(CNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933893	1	54	0.0	-67.32	409.28	0.97	-66.35
C#CC[N@H+]1CCCCC1C(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933903	1	52	0.0	-67.05	396.22	4.40	-62.65
C#CC[N@@H+]1CCCCC1C(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933903	1	52	0.0	-67.84	396.01	4.37	-63.47
CC(CNC(=O)C(CC1=CC=CC=C1)[NH+](C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933909	0	56	0.0	-74.81	430.12	6.52	-68.29
CC(CNC(=O)CN1CC[NH+](C)CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933911	1	52	0.0	-71.89	397.30	1.27	-70.62
CC[NH+]1CCN(CC(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028933924	0	55	0.0	-70.54	415.03	1.95	-68.59
CC(CNC(=O)CSC(N)=[NH2+])CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933957	0	41	0.0	-71.21	346.19	-1.28	-72.49
CC[N@@H+]1CCOCC1CC(=O)NCC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028934012	0	54	0.0	-70.63	402.35	2.12	-68.51
CC(CNC(=O)C1(CC[NH+](C)C)CCCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028934034	0	59	0.0	-71.38	438.39	5.37	-66.01
CC(CNC(=O)CC[NH+]1C(C)CCCC1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028934036	0	59	0.0	-69.26	428.92	4.83	-64.43
CC(CNC(=O)C1CCC([NH+](C)C)CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028934039	0	56	0.0	-75.15	416.00	4.62	-70.53
CC(CNC(=O)C1(CC[NH+](C)C)CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028934040	0	53	0.0	-68.03	413.15	4.31	-63.72
CC(CNC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028934044	0	56	0.0	-64.79	410.58	4.46	-60.33
CC(CNC(=O)CC1CC=CC[N@@H+]1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028934045	0	51	0.0	-72.25	389.51	3.82	-68.43
CC(CNC(=O)CC1CC=CC[N@H+]1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028934045	1	51	0.0	-72.25	389.51	3.82	-68.43
CC(CNC(=O)[C@@H](C)OCC[NH+](C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028934082	0	53	0.0	-69.67	413.82	3.49	-66.18
CC(CNC(=O)C1CC2CCC(C1)[NH+]2C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028934126	0	54	0.0	-65.20	380.91	4.27	-60.93
CC(CNC(=O)C1(C2(O)CC[NH+](C)CC2)CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028934254	0	58	0.0	-69.90	428.97	2.69	-67.21
CC(CNC(=O)C1(CC[NH+]2CCCCC2)CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028934283	0	60	0.0	-69.77	456.18	6.16	-63.61
CC(CNC(=O)C(C)[NH+]1CCSCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028934309	1	51	0.0	-71.96	393.49	3.61	-68.35
CCC1C[NH+](CC(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028934312	1	50	0.0	-70.17	390.93	3.62	-66.55
CC(CNC(=O)C1C[NH+](C2CCOCC2)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028934314	0	55	0.0	-73.47	421.46	2.72	-70.75
CC(CNC(=O)C1([NH+]2CCCC2)CCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028934316	0	54	0.0	-66.87	398.42	4.46	-62.41
CC(CNC(=O)[C@@H]1CCC[N@H+]1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028934328	1	47	0.0	-68.29	363.70	2.83	-65.46
CC(CNC(=O)CC[N@H+]1CCC(F)C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028934338	1	50	0.0	-73.12	393.46	3.60	-69.52
COC1C[N@@H+](C)C(C)(C(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028934349	1	54	0.0	-68.12	408.68	2.23	-65.89
CC(CNC(=O)CC[NH+]1CCCCCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028934363	0	56	0.0	-73.94	412.18	4.37	-69.57
CC(CNC(=O)C[NH+]1CCCCC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028934367	0	50	0.0	-68.58	380.72	3.66	-64.92
CC(CNC(=O)C1CC[N@H+](C)C1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028934377	0	50	0.0	-67.91	384.29	3.33	-64.58
CC(CNC(=O)C1CC[N@@H+](C)C1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028934377	1	50	0.0	-72.79	381.77	3.00	-69.79
CC(CNC(=O)CCC1CCCC[N@@H+]1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028934380	0	56	0.0	-70.36	419.87	4.71	-65.65
CC(CNC(=O)CCC1CCCC[N@H+]1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028934380	1	56	0.0	-70.77	419.17	4.72	-66.05
CC(CNC(=O)C1CC[N@@H+]2CCOCC12)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028934425	0	52	0.0	-73.54	397.96	2.06	-71.48
CC(CNC(=O)C1CC[N@H+]2CCOCC12)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028934425	1	52	0.0	-69.42	392.99	2.34	-67.08
CC1=[NH+]C=C2C=CC(C(=O)NCC(C)CN(C)C(=O)C3=CC(=O)[N-]O3)=CN21	REAL300028934434	0	48	0.0	-67.98	390.00	5.03	-62.95
CC(CNC(=O)CC1COCCN1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028934457	0	51	0.0	-76.67	387.39	1.61	-75.06
CC(CNC(=O)CC1COCC[N@@H+]1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028934457	1	51	0.0	-67.34	380.34	1.44	-65.90
CC(CNC(=O)CC1COCC[N@H+]1C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028934457	1	51	0.0	-76.67	387.39	1.61	-75.06
CC1=C(C)[NH+]=C(CCC(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)N1	REAL300028934471	1	51	0.0	-65.64	408.51	3.06	-62.58
CC(CNC(=O)C1=CC=CC(CC[NH+](C)C)=C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028934484	0	56	0.0	-75.50	438.93	6.08	-69.42
CC(CNC(=O)C1CCN1CC1=CC=CC=C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028934489	0	54	0.0	-70.13	423.49	5.50	-64.63
CC(CNC(=O)C1CC[N@@H+]1CC1=CC=CC=C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028934489	1	54	0.0	-69.36	422.61	5.40	-63.96
CC(CNC(=O)C1CC[N@H+]1CC1=CC=CC=C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028934489	1	54	0.0	-70.13	423.49	5.50	-64.63
CC(C)C[N@@H+]1CCCC(C(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028934493	0	59	0.0	-65.59	433.42	5.68	-59.91
CC(C)C[N@H+]1CCCC(C(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300028934493	1	59	0.0	-69.84	439.94	5.51	-64.33
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CCC[N@@H+]1C	REAL300028934654	0	47	0.0	-67.97	363.66	2.73	-65.24
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CCC[N@H+]1C	REAL300028934654	1	47	0.0	-70.32	359.97	2.35	-67.97
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CN(C)CCO1	REAL300028934679	0	48	0.0	-81.26	372.47	2.04	-79.22
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1C[N@H+](C)CCO1	REAL300028934679	1	48	0.0	-82.34	373.94	2.12	-80.22
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1C[N@@H+](C)CCO1	REAL300028934679	1	48	0.0	-81.26	372.47	2.04	-79.22
CC1=[NH+]C=CN1CCCC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028934852	1	51	0.0	-67.75	411.52	4.79	-62.96
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CCCC[NH+]1CCOCC1	REAL300028934856	1	57	0.0	-74.66	438.53	3.47	-71.19
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300028934862	0	53	0.0	-80.12	417.68	5.02	-75.10
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC[NH+]1CCOCC1	REAL300028934863	1	51	0.0	-75.29	396.15	1.89	-73.40
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C(C)(C1=CC=CC=C1)[NH+](C)C	REAL300028934885	0	56	0.0	-69.40	412.05	4.86	-64.54
CCC[NH+](CCC)CCCC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028934893	0	61	0.0	-72.12	463.33	6.10	-66.02
CC[N@H+](C)C(C(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300028934894	0	56	0.0	-67.30	426.46	5.91	-61.39
CC[N@@H+](C)C(C(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300028934894	1	56	0.0	-66.27	423.51	5.59	-60.68
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C12CCC[NH+]1CCC2	REAL300028934915	0	51	0.0	-65.75	378.14	3.22	-62.53
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300028934935	1	45	0.0	-76.38	376.67	5.24	-71.14
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CCCC([NH+](C)C)C1	REAL300028935025	0	56	0.0	-64.66	405.40	4.24	-60.42
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC1CC[N@H+](C)C1	REAL300028935032	0	50	0.0	-72.72	386.99	3.47	-69.25
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC1CC[N@@H+](C)C1	REAL300028935032	1	50	0.0	-72.72	386.81	3.47	-69.25
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=C[NH+]=CC=C1N(C)C	REAL300028935046	0	49	0.0	-78.77	392.22	1.70	-77.07
CCC(C(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028935052	0	49	0.0	-69.32	370.37	2.89	-66.43
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300028935062	1	48	0.0	-81.96	396.86	3.62	-78.34
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CCC2CC(C)C[N@@H+]2C1	REAL300028935117	0	57	0.0	-62.17	421.33	5.29	-56.88
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CCC2CC(C)C[N@H+]2C1	REAL300028935117	1	57	0.0	-68.75	425.63	4.94	-63.81
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CCCC[NH+](C)C	REAL300028935157	0	52	0.0	-73.86	406.14	4.02	-69.84
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C(C(C)C)[NH+](C)C	REAL300028935184	0	52	0.0	-69.23	385.26	3.63	-65.60
CCC[N@H+](C)CCC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028935186	0	52	0.0	-72.47	402.13	3.86	-68.61
CCC[N@@H+](C)CCC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028935186	1	52	0.0	-72.59	401.86	3.85	-68.74
CCC[N@H+](C)CC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028935193	0	49	0.0	-69.96	379.77	3.25	-66.71
CCC[N@@H+](C)CC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028935193	1	49	0.0	-69.96	379.77	3.25	-66.71
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C12CC[N@H+](C1)CCC2	REAL300028935226	0	51	0.0	-75.43	372.62	2.69	-72.74
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C12CC[N@@H+](C1)CCC2	REAL300028935226	1	51	0.0	-72.40	373.28	2.71	-69.69
CCCCCC[N@H+](C)CC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028935282	0	58	0.0	-71.22	444.26	5.59	-65.63
CCCCCC[N@@H+](C)CC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028935282	1	58	0.0	-71.77	444.61	5.59	-66.18
CC[NH+](CC)C(C(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300028935294	0	58	0.0	-65.96	415.67	4.64	-61.32
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[NH+]1CCC(C)CC1	REAL300028935342	0	53	0.0	-70.55	403.20	4.32	-66.23
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300028935376	1	48	0.0	-78.08	395.34	2.94	-75.14
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)COC1CC[NH+](C)CC1	REAL300028935386	0	54	0.0	-76.79	420.49	3.94	-72.85
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CC2CCCC[N@@H+]2C1	REAL300028935462	0	54	0.0	-73.24	404.62	4.39	-68.85
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CC2CCCC[N@H+]2C1	REAL300028935462	1	54	0.0	-68.33	404.97	4.46	-63.87
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1(C[NH+](C)C)CC1	REAL300028935483	0	50	0.0	-70.13	388.96	3.44	-66.69
CC1=[NH+]C=C2CCC(C(=O)N(C)CC(C)CNC(=O)C3=CC(=O)[N-]O3)CN21	REAL300028935484	1	52	0.0	-66.40	404.89	4.31	-62.09
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CC[NH+](C(C)C)CC1	REAL300028935497	0	56	0.0	-72.24	411.83	4.30	-67.94
CC[N@H+](C)CCC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028935537	0	49	0.0	-71.74	380.37	3.10	-68.64
CC[N@@H+](C)CCC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028935537	1	49	0.0	-72.61	380.97	3.10	-69.51
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1	REAL300028935580	0	56	0.0	-69.39	403.12	4.15	-65.24
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300028935583	0	60	0.0	-71.04	442.56	5.63	-65.41
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300028935583	1	60	0.0	-70.54	442.86	5.63	-64.91
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1C[NH+]2CCC1CC2	REAL300028935601	0	51	0.0	-76.78	378.30	3.39	-73.39
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CC[NH+](C)CC1	REAL300028935706	0	50	0.0	-75.05	381.16	3.35	-71.70
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C	REAL300028935729	0	52	0.0	-68.80	383.00	3.52	-65.28
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CC[NH+](CC2CC2)CC1	REAL300028935837	0	57	0.0	-74.86	430.34	5.56	-69.30
CC[NH+](CC)CC(F)C(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028935891	0	52	0.0	-70.16	398.58	3.58	-66.58
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=C(C[NH+](C)C)C=CS1	REAL300028935892	0	50	0.0	-61.32	400.59	4.07	-57.25
CC(C)C[N@@H+]1CCC(C(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028935942	0	56	0.0	-71.08	425.15	4.76	-66.32
CC(C)C[N@H+]1CCC(C(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028935942	1	56	0.0	-73.04	425.86	4.74	-68.30
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1([NH+](C)C)CCC1	REAL300028935946	0	50	0.0	-73.09	372.90	3.08	-70.01
CCC(C(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300028935988	0	55	0.0	-64.26	402.41	4.00	-60.26
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[N@@H+]1CCCC1C	REAL300028936021	0	50	0.0	-67.08	379.48	3.24	-63.84
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[N@H+]1CCCC1C	REAL300028936021	1	50	0.0	-67.41	386.90	3.51	-63.90
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CCN1C=C[NH+]=C1C(C)C	REAL300028936134	1	54	0.0	-65.25	425.69	5.03	-60.22
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C(C)[NH+]1CCCCCC1	REAL300028936142	0	56	0.0	-66.76	405.06	4.43	-62.33
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CCCC[N@@H+]1C(C)C	REAL300028936145	0	56	0.0	-63.87	409.83	4.25	-59.62
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CCCC[N@H+]1C(C)C	REAL300028936145	1	56	0.0	-64.96	399.68	4.00	-60.96
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CCC[N@@H+]1C(C)C	REAL300028936181	0	53	0.0	-67.99	384.54	3.76	-64.23
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CCC[N@H+]1C(C)C	REAL300028936181	1	53	0.0	-67.62	390.74	4.26	-63.36
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CCC[N@@H+]1C1CCOCC1	REAL300028936190	0	58	0.0	-70.84	428.90	3.22	-67.62
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CCC[N@H+]1C1CCOCC1	REAL300028936190	1	58	0.0	-71.60	423.82	3.66	-67.94
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C(CN1C=CC=N1)[NH+](C)C	REAL300028936192	1	53	0.0	-63.90	407.51	3.30	-60.60
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC1CCC[N@@H+]1C(C)C	REAL300028936199	0	56	0.0	-64.06	411.49	4.00	-60.06
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC1CCC[N@H+]1C(C)C	REAL300028936199	1	56	0.0	-68.90	413.59	4.26	-64.64
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CCC[N@@H+]1C1CCCC1	REAL300028936200	0	57	0.0	-67.80	420.03	5.21	-62.59
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CCC[N@H+]1C1CCCC1	REAL300028936200	1	57	0.0	-67.08	424.92	5.19	-61.89
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C	REAL300028936230	0	52	0.0	-69.25	381.86	3.34	-65.91
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[N@@H+]1CCC(C)C1	REAL300028936268	0	50	0.0	-69.90	385.94	3.59	-66.31
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[N@H+]1CCC(C)C1	REAL300028936268	1	50	0.0	-69.30	385.54	3.57	-65.73
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1(F)CC[N@@H+](C(C)(C)C)C1	REAL300028936269	0	56	0.0	-66.16	418.44	4.04	-62.12
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1(F)CC[N@H+](C(C)(C)C)C1	REAL300028936269	1	56	0.0	-67.67	417.22	3.98	-63.69
CC1=[NH+]C=C2CC(C(=O)N(C)CC(C)CNC(=O)C3=CC(=O)[N-]O3)CCN21	REAL300028936271	1	52	0.0	-70.09	405.00	4.36	-65.73
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300028936273	0	56	0.0	-80.86	440.18	5.86	-75.00
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300028936275	0	53	0.0	-69.63	405.84	4.11	-65.52
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[N@H+]1CCC(C)(C)C1	REAL300028936275	1	53	0.0	-69.05	405.30	4.08	-64.97
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[N@H+](C)CC(C)(C)C	REAL300028936276	0	55	0.0	-69.64	410.32	4.39	-65.25
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C	REAL300028936276	1	55	0.0	-69.90	407.98	4.23	-65.67
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300028936277	0	56	0.0	-73.73	439.68	6.28	-67.45
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300028936277	1	56	0.0	-73.79	439.67	6.28	-67.51
CC[C@@H](C(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028936289	0	49	0.0	-69.02	371.97	2.95	-66.07
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)COCC(C)[NH+]1CCCC1	REAL300028936297	0	57	0.0	-68.97	439.36	4.67	-64.30
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CCN(C)C1=CC=[NH+]C=C1	REAL300028936483	0	52	0.0	-69.97	415.25	3.54	-66.43
CC1=[NH+]C=CN1CC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028936625	1	45	0.0	-67.25	370.31	3.45	-63.80
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C(C)C[NH+]1CCOCC1	REAL300028936627	0	54	0.0	-73.39	407.17	2.32	-71.07
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CCC[NH+]1CCCCC1	REAL300028936650	0	56	0.0	-71.14	425.59	5.09	-66.05
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300028936676	1	49	0.0	-79.10	397.54	3.20	-75.90
CC1=C(C(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300028936678	0	48	0.0	-74.81	393.79	5.61	-69.20
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CN1C=C[NH+]=C1C(C)C	REAL300028936742	1	51	0.0	-65.64	406.54	4.58	-61.06
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CCCC2CCC[N@@H+]21	REAL300028936807	0	54	0.0	-68.13	396.55	4.26	-63.87
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CCCC2CCC[N@H+]21	REAL300028936807	1	54	0.0	-69.26	397.39	4.27	-64.99
CC[N@@H+]1CCOC(C(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028936856	1	51	0.0	-79.42	391.67	2.72	-76.70
CC[N@H+]1CCOC(C(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028936856	1	51	0.0	-79.92	392.73	2.80	-77.12
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300028936950	0	45	0.0	-74.49	375.81	5.19	-69.30
CC1=C[NH+]=CN1CC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028936955	1	45	0.0	-69.04	370.65	4.18	-64.86
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300028936961	0	53	0.0	-79.13	420.36	2.99	-76.14
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300028936978	0	53	0.0	-86.04	423.08	3.68	-82.36
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300028936985	0	50	0.0	-73.36	376.44	3.33	-70.03
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300028936985	1	50	0.0	-71.26	374.12	3.23	-68.03
CCC1=[NH+]C=CN1C(C)CC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028936989	1	54	0.0	-65.17	426.49	5.09	-60.08
CC[C@@H]1[C@@H](C(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300028936992	0	53	0.0	-71.43	397.55	3.50	-67.93
CC[C@@H]1[C@@H](C(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300028936992	1	53	0.0	-68.90	402.11	3.94	-64.96
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[NH+]1C(C)CCC1C	REAL300028937024	0	53	0.0	-66.38	396.51	3.80	-62.58
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CCC[NH+]1CCCC1	REAL300028937035	0	53	0.0	-70.82	410.37	4.43	-66.39
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300028937036	0	53	0.0	-73.08	414.17	5.00	-68.08
C#CC[NH+]1CCC(C(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028937047	0	52	0.0	-76.85	405.09	4.41	-72.44
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC[NH+]1CCCCC1	REAL300028937049	0	53	0.0	-71.20	404.09	4.28	-66.92
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=CC=C1C[NH+](C)C	REAL300028937054	0	53	0.0	-63.30	414.03	4.99	-58.31
CC[N@@H+]1CCCCC1C(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028937066	0	53	0.0	-66.15	386.69	3.58	-62.57
CC[N@H+]1CCCCC1C(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028937066	1	53	0.0	-65.90	398.58	4.06	-61.84
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C(C(C)C)[NH+]1CCCCC1	REAL300028937067	0	59	0.0	-67.36	428.59	5.09	-62.27
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C(C1=CC=CC=C1)[NH+](C)C	REAL300028937071	1	53	0.0	-67.38	405.92	4.97	-62.41
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CN1C=[NH+]C2=C1CCCC2	REAL300028937081	1	52	0.0	-68.31	412.46	5.90	-62.41
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1(C[NH+](C)C)CCCCC1	REAL300028937130	0	59	0.0	-76.42	415.25	4.59	-71.83
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=CC=C1CC[NH+](C)C	REAL300028937131	0	56	0.0	-63.33	435.60	5.74	-57.59
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC[N@H+](C)C1CCCCC1	REAL300028937138	0	59	0.0	-72.92	438.69	5.49	-67.43
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC[N@@H+](C)C1CCCCC1	REAL300028937138	1	59	0.0	-72.63	438.68	5.48	-67.15
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC1([NH+](C)C)CCCC1	REAL300028937142	0	56	0.0	-73.19	404.10	4.30	-68.89
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1	REAL300028937159	1	54	0.0	-76.00	419.81	2.72	-73.28
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=NNC(C2CCC[N@H+]2C)=C1	REAL300028937159	1	54	0.0	-77.88	422.95	3.23	-74.65
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[N@H+](C)C1CCC1	REAL300028937434	0	50	0.0	-68.16	386.68	3.82	-64.34
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[N@@H+](C)C1CCC1	REAL300028937434	1	50	0.0	-68.49	387.11	3.81	-64.68
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C(C)[NH+]1C(C)CCC1C	REAL300028937476	0	56	0.0	-64.68	410.53	4.17	-60.51
CC[NH+](CC)CC1=CC=C(C(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300028937493	0	56	0.0	-78.30	434.48	4.86	-73.44
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CCCC[NH+]1CCCC1	REAL300028937498	0	56	0.0	-71.45	431.60	5.20	-66.25
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300028937501	1	53	0.0	-75.31	417.59	5.43	-69.88
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300028937501	1	53	0.0	-74.47	417.20	5.43	-69.04
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CC[NH+](C)CC1	REAL300028937519	0	50	0.0	-75.05	381.16	3.35	-71.70
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)[C@H]1CCC[N@@H+]1C	REAL300028937605	0	47	0.0	-67.36	360.95	2.60	-64.76
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)[C@H]1CCC[N@H+]1C	REAL300028937605	1	47	0.0	-69.20	359.81	2.35	-66.85
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028937630	1	49	0.0	-67.62	386.42	3.62	-64.00
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028937630	1	49	0.0	-68.57	392.84	3.99	-64.58
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CCC1CCC[N@@H+]1C	REAL300028937641	0	53	0.0	-70.23	402.71	3.91	-66.32
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CCC1CCC[N@H+]1C	REAL300028937641	1	53	0.0	-75.09	408.16	4.37	-70.72
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C12CCC[NH+](CCC1)C2	REAL300028937658	0	54	0.0	-71.64	388.80	3.54	-68.10
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CCC2CCCC[N@@H+]21	REAL300028937666	0	54	0.0	-66.90	401.02	4.32	-62.58
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CCC2CCCC[N@H+]21	REAL300028937666	1	54	0.0	-65.57	405.11	4.62	-60.95
CCC[N@@H+]1CCCC(C(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028937784	0	56	0.0	-70.64	419.53	4.60	-66.04
CCC[N@H+]1CCCC(C(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028937784	1	56	0.0	-63.70	409.13	4.70	-59.00
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300028937797	0	60	0.0	-66.80	429.95	5.45	-61.35
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CCCC[N@H+]1C1CCCC1	REAL300028937797	1	60	0.0	-65.53	425.60	5.34	-60.19
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1C[N@@H+](C(C)C)CCO1	REAL300028937810	0	54	0.0	-71.28	400.38	3.01	-68.27
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1C[N@H+](C(C)C)CCO1	REAL300028937810	1	54	0.0	-67.92	396.91	3.14	-64.78
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1	REAL300028937834	0	57	0.0	-68.10	410.13	2.53	-65.57
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CCCC[N@@H+]1C	REAL300028937857	0	50	0.0	-66.23	378.05	3.31	-62.92
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CCCC[N@H+]1C	REAL300028937857	1	50	0.0	-66.52	380.62	3.36	-63.16
CC(C)C[N@@H+]1CCCC1C(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028937895	0	56	0.0	-67.00	423.44	4.90	-62.10
CC(C)C[N@H+]1CCCC1C(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028937895	1	56	0.0	-67.03	415.00	4.43	-62.60
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[NH+]1CCC(CO)CC1	REAL300028937918	0	54	0.0	-71.65	414.03	1.00	-70.65
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C=C1CC2CCC(C1)[NH+]2C	REAL300028937967	0	55	0.0	-69.00	412.41	4.79	-64.21
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CC[N@H+](C)C1C	REAL300028937989	0	50	0.0	-72.16	383.63	3.13	-69.03
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CC[N@@H+](C)C1C	REAL300028937989	1	50	0.0	-72.24	376.87	3.13	-69.11
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CCC1CCCC[N@@H+]1C	REAL300028937993	0	56	0.0	-70.07	422.17	4.82	-65.25
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CCC1CCCC[N@H+]1C	REAL300028937993	1	56	0.0	-69.79	421.84	4.80	-64.99
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC2=C(CCC2)[NH+]=C1N	REAL300028938040	1	50	0.0	-62.72	394.42	2.66	-60.06
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300028938138	0	53	0.0	-68.03	382.87	2.82	-65.21
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CC[N@H+]1C(C)(C)C	REAL300028938138	1	53	0.0	-67.13	399.31	3.42	-63.71
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300028938160	0	53	0.0	-72.18	411.66	2.22	-69.96
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)[C@H](C)[NH+](C)C	REAL300028938166	0	46	0.0	-68.18	353.09	2.08	-66.10
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=NC(C[NH+](C)C)=C1	REAL300028938189	1	52	0.0	-70.72	412.81	3.54	-67.18
C=CCC(C)(C(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028938195	0	53	0.0	-74.44	385.03	3.87	-70.57
CC[NH+](CC)CCSCC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028938234	0	56	0.0	-75.41	438.93	4.93	-70.48
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=C(N)C2=CC=CC=C2[NH+]=C1	REAL300028938235	1	49	0.0	-67.30	393.41	2.01	-65.29
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC[NH+]1CCCC1	REAL300028938240	0	50	0.0	-71.16	388.87	3.61	-67.55
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[N@H+](C)CCO	REAL300028938250	1	47	0.0	-70.96	368.96	-0.73	-71.69
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[N@@H+](C)CCO	REAL300028938250	1	47	0.0	-70.28	368.41	-0.74	-71.02
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1C[N@@H+]2CCN1CCC2	REAL300028938301	0	53	0.0	-79.30	384.02	1.22	-78.08
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1C[N@H+]2CCN1CCC2	REAL300028938301	1	53	0.0	-79.69	383.99	1.18	-78.51
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C(C)[NH+]1CCSCC1	REAL300028938349	1	51	0.0	-71.07	391.35	3.58	-67.49
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC1=CC[N@H+](C)CC1	REAL300028938410	0	51	0.0	-69.03	399.45	4.22	-64.81
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC1=CC[N@@H+](C)CC1	REAL300028938410	1	51	0.0	-67.50	399.91	4.20	-63.30
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CC(=O)N(C2C[NH+](C)C2)C1	REAL300028938424	1	55	0.0	-72.55	425.60	2.43	-70.12
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C(O)CC[S+](C)C	REAL300028938432	0	49	0.0	-76.32	401.52	1.27	-75.05
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1(C)CC(O)C[N@@H+]1C	REAL300028938466	0	51	0.0	-66.22	378.04	-1.15	-67.37
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1(C)CC(O)C[N@H+]1C	REAL300028938466	1	51	0.0	-67.42	376.13	-0.93	-68.35
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CN(C)CC[N@H+](C)C1	REAL300028938485	0	55	0.0	-68.56	406.65	1.62	-66.94
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CN(C)CC[N@@H+](C)C1	REAL300028938485	1	55	0.0	-68.33	411.31	1.76	-66.57
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C(C)[N@@H+]1CCCC(O)C1	REAL300028938486	0	54	0.0	-68.40	407.75	0.85	-67.55
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C(C)[N@H+]1CCCC(O)C1	REAL300028938486	1	54	0.0	-69.40	405.94	0.60	-68.80
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=C(N)[NH+]=CC2=C1CCC2	REAL300028938524	0	50	0.0	-69.04	401.59	2.54	-66.50
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC1(O)CCC[N@H+](C)C1	REAL300028938534	0	54	0.0	-64.82	410.59	2.14	-62.68
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC1(O)CCC[N@@H+](C)C1	REAL300028938534	1	54	0.0	-65.33	400.88	1.94	-63.39
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[NH+]1CC(C)C1	REAL300028938541	1	47	0.0	-70.12	371.54	2.93	-67.19
CC[N@@H+]1CCCC(C(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028938550	0	53	0.0	-63.91	392.19	4.13	-59.78
CC[N@H+]1CCCC(C(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028938550	1	53	0.0	-69.83	398.85	3.95	-65.88
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC1=CC=C[NH+]=C1N	REAL300028938567	0	46	0.0	-66.87	375.13	1.69	-65.18
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CCC[N@@H+]1C1CC1	REAL300028938583	0	51	0.0	-66.12	394.72	4.16	-61.96
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CCC[N@H+]1C1CC1	REAL300028938583	1	51	0.0	-68.73	390.25	3.69	-65.04
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CCC1[N@@H+]1CCOC(C)C1	REAL300028938620	0	58	0.0	-71.12	443.53	3.69	-67.43
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CCC1[N@H+]1CCOC(C)C1	REAL300028938620	1	58	0.0	-68.98	432.88	3.97	-65.01
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=C(C[NH+]2CCCC2)O1	REAL300028938643	0	54	0.0	-79.34	428.72	4.89	-74.45
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C=CC[NH+]1CCCC1	REAL300028938650	0	51	0.0	-73.56	402.02	4.29	-69.27
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CC[NH+](C2CC2)CC1	REAL300028938685	0	54	0.0	-72.37	406.00	4.56	-67.81
CC[N@H+](C)CC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028938748	0	46	0.0	-69.63	358.27	2.51	-67.12
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CN1CC2C=CC1C2	REAL300028938833	0	49	0.0	-68.66	380.60	3.84	-64.82
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[N@@H+]1CC2C=CC1C2	REAL300028938833	1	49	0.0	-68.14	380.03	3.81	-64.33
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[N@H+]1CC2C=CC1C2	REAL300028938833	1	49	0.0	-68.14	380.03	3.81	-64.33
CC1=CC=C(NCCC(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)[NH+]=C1	REAL300028938860	1	52	0.0	-67.56	419.64	3.29	-64.27
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1(C[NH+]2CCCC2)CCCC1	REAL300028938920	0	60	0.0	-72.18	432.26	5.55	-66.63
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1C[NH+]2CCN1CC2	REAL300028938951	0	50	0.0	-76.51	373.66	-0.06	-76.57
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C12CCC[N@@H+]1CCCC2	REAL300028939023	0	54	0.0	-64.24	387.41	3.76	-60.48
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C12CCC[N@H+]1CCCC2	REAL300028939023	1	54	0.0	-64.68	389.46	3.57	-61.11
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C12CCC[N@@H+]1CC=CC2	REAL300028939035	0	52	0.0	-65.49	382.42	3.59	-61.90
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C12CCC[N@H+]1CC=CC2	REAL300028939035	1	52	0.0	-64.81	381.07	3.34	-61.47
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C(C)OCC[NH+](C)C	REAL300028939051	0	53	0.0	-71.76	412.76	3.47	-68.29
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CCOCC[NH+](C)C	REAL300028939065	0	53	0.0	-72.22	417.60	2.68	-69.54
COCC[N@H+](C)CC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028939067	1	50	0.0	-70.07	390.66	1.66	-68.41
COCC[N@@H+](C)CC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028939067	1	50	0.0	-71.23	391.22	1.68	-69.55
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1C[NH+](C2CCOC2)C1	REAL300028939070	0	52	0.0	-78.81	406.17	2.14	-76.67
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CCC(C)[NH+](C)C	REAL300028939076	0	52	0.0	-71.14	398.06	3.63	-67.51
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C=C1CC[NH+](C)CC1	REAL300028939107	0	51	0.0	-71.04	393.60	4.14	-66.90
CC[N@H+](CC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028939122	0	50	0.0	-67.02	389.47	3.87	-63.15
CC[N@@H+](CC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300028939122	1	50	0.0	-67.10	388.29	3.93	-63.17
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1([NH+](C)C)CCCSC1	REAL300028939127	0	54	0.0	-77.63	396.11	4.02	-73.61
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1C[N@@H+]2CCN1C(C)C2	REAL300028939143	0	53	0.0	-78.08	389.90	0.54	-77.54
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1C[N@H+]2CCN1C(C)C2	REAL300028939143	1	53	0.0	-76.15	390.55	0.55	-75.60
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C12CC(C1)C[N@@H+]2C	REAL300028939186	0	48	0.0	-72.00	365.43	3.12	-68.88
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C12CC(C1)C[N@H+]2C	REAL300028939186	1	48	0.0	-73.28	367.31	3.15	-70.13
CC1=[NH+]C(N)=CC=C1C=CC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028939200	1	50	0.0	-70.07	404.42	2.54	-67.53
CC1=C(C(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)C=NN1CC[NH+](C)C	REAL300028939207	0	56	0.0	-81.11	438.76	3.50	-77.61
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[N@@H+]1CC2CCC1C2	REAL300028939210	0	51	0.0	-68.80	387.60	3.94	-64.86
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[N@H+]1CC2CCC1C2	REAL300028939210	1	51	0.0	-66.88	384.95	3.73	-63.15
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC1CC[NH+](C(C)C)CC1	REAL300028939231	0	59	0.0	-68.04	434.74	5.21	-62.83
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C(C)C[NH+](C)C	REAL300028939248	0	49	0.0	-72.40	374.27	2.86	-69.54
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300028939267	0	50	0.0	-75.56	392.38	3.16	-72.40
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300028939267	1	50	0.0	-76.39	383.29	3.01	-73.38
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1([NH+](C)C)CC1	REAL300028939271	0	47	0.0	-73.91	362.04	2.54	-71.37
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)[C@@H](C)[NH+](C)C	REAL300028939305	0	46	0.0	-68.44	357.17	2.20	-66.24
CC[N@@H+]1CCC1C(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028939319	1	47	0.0	-69.54	370.58	2.71	-66.83
CC[N@H+]1CCC1C(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028939319	1	47	0.0	-68.20	364.34	2.48	-65.72
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CCC[N@@H+](C(C)C)C1	REAL300028939340	0	56	0.0	-69.22	416.19	4.47	-64.75
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CCC[N@H+](C(C)C)C1	REAL300028939340	1	56	0.0	-68.43	415.55	4.48	-63.95
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CCN(C2=[NH+]C=CN2C)C1	REAL300028939342	1	54	0.0	-64.09	422.32	4.15	-59.94
CCC(C)(C)[NH2+]C(C)C(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028939371	0	55	0.0	-69.03	402.05	2.38	-66.65
C#CC[N@H+]1CCCCC1C(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028939436	1	52	0.0	-67.66	394.43	4.14	-63.52
C#CC[N@@H+]1CCCCC1C(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028939436	1	52	0.0	-66.26	401.91	4.46	-61.80
CNC1=[NH+]C(C)=CC=C1C(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028939440	1	49	0.0	-65.30	391.39	2.48	-62.82
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=C[NH+]=CC=C1N	REAL300028939442	0	43	0.0	-72.94	350.32	-0.18	-73.12
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C(CC1=CC=CC=C1)[NH+](C)C	REAL300028939448	0	56	0.0	-75.81	423.09	5.60	-70.21
CCCC(C(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028939459	0	52	0.0	-68.55	390.00	3.50	-65.05
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C(C)(C)[NH+](C)C	REAL300028939469	0	49	0.0	-74.13	359.26	2.89	-71.24
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C(C)CC[NH+](C)C	REAL300028939500	0	52	0.0	-72.32	395.90	3.49	-68.83
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300028939573	0	57	0.0	-70.73	406.79	4.47	-66.26
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300028939573	1	57	0.0	-64.34	410.60	5.05	-59.29
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300028939614	0	52	0.0	-69.65	395.68	4.43	-65.22
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300028939614	1	52	0.0	-69.90	391.03	4.98	-64.92
COCCCC[N@H+](C)CCC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028939671	0	59	0.0	-76.39	457.04	3.69	-72.70
COCCCC[N@@H+](C)CCC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028939671	1	59	0.0	-76.46	457.03	3.70	-72.76
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C12CCC([NH+](C)C)(CC1)CC2	REAL300028939677	0	60	0.0	-77.56	420.63	4.58	-72.98
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300028939686	0	53	0.0	-67.57	402.45	3.85	-63.72
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CC(C)(C)C[N@H+]1C	REAL300028939686	1	53	0.0	-66.39	405.12	3.85	-62.54
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CCCCC[NH+](C)C	REAL300028939692	0	55	0.0	-73.17	427.64	4.81	-68.36
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC[NH+]1CCC(O)CC1	REAL300028939698	0	54	0.0	-74.96	415.36	0.97	-73.99
CCC[N@@H+]1CCCCC1C(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028939704	0	56	0.0	-66.77	419.33	4.75	-62.02
CCC[N@H+]1CCCCC1C(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028939704	1	56	0.0	-65.85	416.66	4.67	-61.18
CC[NH+]1CCN(CCC(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028939714	0	58	0.0	-73.52	438.99	2.50	-71.02
CCN1CC[NH+](CCC(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028939714	1	58	0.0	-73.28	439.48	2.55	-70.73
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CN1CC[NH+](C)CC1	REAL300028939718	1	52	0.0	-70.51	399.91	1.36	-69.15
CC(C)C[NH+]1CCC(C(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028939876	0	59	0.0	-74.60	437.29	5.37	-69.23
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1C[N@H+](C)CC(C)O1	REAL300028939880	1	51	0.0	-72.10	382.31	2.67	-69.43
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1C[N@@H+](C)CC(C)O1	REAL300028939880	1	51	0.0	-83.29	387.44	2.82	-80.47
CCC1CCC[N@H+](CC(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028939926	0	56	0.0	-71.08	414.84	4.91	-66.17
CCC1CCC[N@@H+](CC(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028939926	1	56	0.0	-70.03	421.53	4.95	-65.08
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=C(C[NH+](C)C)N1	REAL300028939938	0	51	0.0	-82.33	402.45	3.34	-78.99
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[NH+]1CC2CC2C1	REAL300028939964	0	48	0.0	-70.83	376.22	3.71	-67.12
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC1([NH+]2CCCC2)CC1	REAL300028939989	0	54	0.0	-68.03	405.98	4.62	-63.41
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C(C)[NH2+]C1(CO)CCCC1	REAL300028940015	0	57	0.0	-69.65	420.90	-0.23	-69.88
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CCCC[N@@H+]1C	REAL300028940056	0	50	0.0	-66.23	378.05	3.31	-62.92
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CCCC[N@H+]1C	REAL300028940056	1	50	0.0	-66.52	380.62	3.36	-63.16
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300028940065	1	54	0.0	-73.66	430.59	5.74	-67.92
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CC[N@H+]1CC1=CC=CC=C1	REAL300028940065	1	54	0.0	-74.61	430.89	5.72	-68.89
CC(C)C[N@@H+]1CCCC(C(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028940072	0	59	0.0	-69.59	438.69	5.36	-64.23
CC(C)C[N@H+]1CCCC(C(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028940072	1	59	0.0	-69.40	436.75	5.29	-64.11
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CN1CCC([NH+](C)C)CC1	REAL300028940158	0	58	0.0	-70.37	434.11	2.54	-67.83
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C=C1CC[N@H+](C)C1	REAL300028940252	0	48	0.0	-74.74	378.90	3.40	-71.34
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C=C1CC[N@@H+](C)C1	REAL300028940252	1	48	0.0	-73.64	377.61	3.43	-70.21
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CNC1=CC=[NH+]C=C1	REAL300028940260	0	46	0.0	-70.45	376.26	1.11	-69.34
CC[NH+]1CCN(CC(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028940338	0	55	0.0	-68.67	417.03	2.00	-66.67
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C=C1C[NH+]2CCC1CC2	REAL300028940343	0	52	0.0	-66.08	395.85	4.26	-61.82
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1([NH+](C)C)CCCC1	REAL300028940403	0	53	0.0	-73.80	379.64	3.40	-70.40
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300028940420	0	54	0.0	-67.73	411.18	1.22	-66.51
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O	REAL300028940420	1	54	0.0	-65.32	411.35	1.25	-64.07
CCC1C[NH+](CC(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028940428	0	50	0.0	-70.86	392.94	3.69	-67.17
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1C[NH+](C2CCOCC2)C1	REAL300028940432	0	55	0.0	-77.02	422.86	2.74	-74.28
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1([NH+]2CCCC2)CCC1	REAL300028940435	0	54	0.0	-69.18	395.15	4.10	-65.08
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300028940453	0	47	0.0	-69.18	359.85	2.38	-66.80
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)[C@@H]1CCC[N@H+]1C	REAL300028940453	1	47	0.0	-67.53	362.92	2.70	-64.83
CC[N@@H+]1CCOCC1CC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028940498	0	54	0.0	-75.01	409.04	2.36	-72.65
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC(=O)NC2=C1CCC[NH2+]2	REAL300028940507	0	51	0.0	-89.80	406.55	1.29	-88.51
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1C[NH+](C2CCCCC2)C1	REAL300028940532	0	57	0.0	-73.64	431.31	5.14	-68.50
COC1C[N@@H+]2CCCC2(C(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028940554	0	55	0.0	-68.86	410.89	2.23	-66.63
COC1C[N@H+]2CCCC2(C(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028940554	1	55	0.0	-68.86	410.89	2.23	-66.63
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=C2NC(N)=NC2=C1	REAL300028940638	0	47	0.0	-72.34	383.76	2.76	-69.58
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=C2NC(N)=[NH+]C2=C1	REAL300028940638	1	47	0.0	-72.34	383.76	2.76	-69.58
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300028940701	0	50	0.0	-70.54	389.55	3.57	-66.97
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1(CC[NH+](C)C)CCCC1	REAL300028940717	0	59	0.0	-76.30	432.41	4.96	-71.34
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC[NH+]1C(C)CCCC1C	REAL300028940719	0	59	0.0	-69.64	431.46	4.98	-64.66
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CCC([NH+](C)C)CC1	REAL300028940722	0	56	0.0	-77.30	414.68	4.41	-72.89
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1(CC[NH+](C)C)CC1	REAL300028940723	0	53	0.0	-76.58	411.07	4.17	-72.41
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300028940728	0	56	0.0	-64.71	403.05	4.06	-60.65
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC1CC=CC[N@@H+]1C	REAL300028940729	0	51	0.0	-64.53	386.44	3.88	-60.65
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC1CC=CC[N@H+]1C	REAL300028940729	1	51	0.0	-73.45	393.56	4.05	-69.40
CC1=CC(C=CC(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)=C[NH+]=C1N	REAL300028940809	1	50	0.0	-73.27	404.61	2.84	-70.43
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)COCC[NH+](C)C	REAL300028940826	0	50	0.0	-70.36	396.64	2.98	-67.38
CCCCC[N@H+](C)CCC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028940834	0	58	0.0	-73.54	444.86	5.40	-68.14
CCCCC[N@@H+](C)CCC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028940834	1	58	0.0	-73.50	444.86	5.41	-68.09
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300028940851	0	54	0.0	-70.97	415.86	3.61	-67.36
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CN1C=CSC1=[NH2+]	REAL300028940888	0	43	0.0	-66.94	367.95	2.02	-64.92
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)[C@@H](C)OCC[NH+](C)C	REAL300028941010	0	53	0.0	-68.16	411.33	3.41	-64.75
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1(C2(O)CC[NH+](C)CC2)CC1	REAL300028941015	0	58	0.0	-74.36	426.76	2.15	-72.21
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC[NH+]1CCCCCC1	REAL300028941108	0	56	0.0	-72.95	414.29	4.52	-68.43
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CCC[N@H+](C)C1	REAL300028941116	0	50	0.0	-72.49	382.84	3.32	-69.17
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CCC[N@@H+](C)C1	REAL300028941116	1	50	0.0	-72.49	382.84	3.32	-69.17
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[NH+]1CCCCCC1	REAL300028941124	0	53	0.0	-70.14	391.95	3.89	-66.25
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[N+]1=CN(C)C=C1	REAL300028941131	0	45	0.0	-67.51	371.77	5.35	-62.16
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C(C)(C)C1CCC[N@H+](C)C1	REAL300028941154	0	59	0.0	-73.12	421.32	4.49	-68.63
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C(C)(C)C1CCC[N@@H+](C)C1	REAL300028941154	1	59	0.0	-73.12	421.32	4.49	-68.63
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=C(CN(C)C)O1	REAL300028941160	0	50	0.0	-80.47	402.31	3.67	-76.80
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300028941160	1	50	0.0	-80.47	402.31	3.67	-76.80
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CN1CCC(O)CC1	REAL300028941194	0	51	0.0	-74.52	393.36	0.35	-74.17
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[NH+]1CCC(O)CC1	REAL300028941194	1	51	0.0	-74.52	393.36	0.35	-74.17
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[N@H+](C)C1CC1	REAL300028941202	0	47	0.0	-67.02	369.54	3.24	-63.78
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C(C)N1CCN(C)CC1	REAL300028941204	0	55	0.0	-72.71	415.14	1.68	-71.03
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C(C)N1CC[NH+](C)CC1	REAL300028941204	1	55	0.0	-72.71	415.14	1.68	-71.03
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC[N@@H+]1CCC(F)C1	REAL300028941212	0	50	0.0	-76.65	394.46	3.68	-72.97
COC1C[N@H+](C)C(C)(C(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028941231	0	54	0.0	-66.47	401.48	1.52	-64.95
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300028941254	0	56	0.0	-74.01	436.66	5.84	-68.17
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC(C)C[NH+](C)C	REAL300028941261	0	52	0.0	-72.77	397.96	3.90	-68.87
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CC[N@@H+]2CCOCC12	REAL300028941288	0	52	0.0	-74.34	395.74	1.99	-72.35
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CC[N@H+]2CCOCC12	REAL300028941288	1	52	0.0	-74.34	395.74	1.99	-72.35
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC1COCCN1C	REAL300028941324	0	51	0.0	-66.11	383.90	1.55	-64.56
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC1COCC[N@@H+]1C	REAL300028941324	1	51	0.0	-65.98	384.01	1.55	-64.43
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC1COCC[N@H+]1C	REAL300028941324	1	51	0.0	-65.98	384.01	1.55	-64.43
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C(C[NH+](C)C)C1=CC=CC=C1	REAL300028941336	0	56	0.0	-72.39	438.19	5.91	-66.48
CC1=CC(N)=NC=C1C(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028941425	0	46	0.0	-73.23	370.80	1.14	-72.09
CC1=CC(N)=[NH+]C=C1C(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028941425	1	46	0.0	-73.23	370.80	1.14	-72.09
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1(CC[NH+]2CCCCC2)CC1	REAL300028941461	0	60	0.0	-69.02	449.89	5.96	-63.06
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300028941503	0	51	0.0	-69.16	396.69	0.26	-68.90
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=NN1CC[NH+](C)C	REAL300028941514	0	53	0.0	-67.27	416.16	3.03	-64.24
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC1C[NH+](C)C1	REAL300028941557	0	47	0.0	-72.13	372.22	2.70	-69.43
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CC[N@@H+]1C1CCCC1	REAL300028941563	0	54	0.0	-68.26	403.92	4.29	-63.97
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CC[N@H+]1C1CCCC1	REAL300028941563	1	54	0.0	-68.26	403.92	4.29	-63.97
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC[N@H+](C)CCO	REAL300028941623	0	50	0.0	-71.08	390.94	-0.11	-71.19
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC[N@@H+](C)CCO	REAL300028941623	1	50	0.0	-71.08	390.94	-0.11	-71.19
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC1CCCC[N@@H+]1C	REAL300028941652	0	53	0.0	-63.11	392.53	3.95	-59.16
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC1CCCC[N@H+]1C	REAL300028941652	1	53	0.0	-63.11	392.53	3.95	-59.16
CC1=C2C=C(C(=O)N(C)CC(C)CNC(=O)C3=CC(=O)[N-]O3)C=CN2C=N1	REAL300028941687	0	48	0.0	-73.06	397.85	5.79	-67.27
CC1=C2C=C(C(=O)N(C)CC(C)CNC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300028941687	1	48	0.0	-73.06	397.85	5.79	-67.27
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CN1CCC1C	REAL300028941694	0	47	0.0	-67.72	366.29	2.65	-65.07
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[N@@H+]1CCC1C	REAL300028941694	1	47	0.0	-69.47	372.06	2.91	-66.56
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[N@H+]1CCC1C	REAL300028941694	1	47	0.0	-69.47	372.06	2.91	-66.56
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C=CC[NH+](C)C	REAL300028941715	0	47	0.0	-76.02	377.18	3.12	-72.90
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CN1CC(C)(C)C1	REAL300028941733	0	50	0.0	-70.21	390.88	3.46	-66.75
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[NH+]1CC(C)(C)C1	REAL300028941733	1	50	0.0	-70.21	390.88	3.46	-66.75
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CCCC[NH+]1CCCCC1	REAL300028941748	0	59	0.0	-71.63	447.08	5.88	-65.75
CC1=C(C)NC(CCC(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300028941765	0	51	0.0	-65.84	410.51	3.17	-62.67
CC1=C(C)[NH+]=C(CCC(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)N1	REAL300028941765	1	51	0.0	-65.84	410.51	3.17	-62.67
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC2=C(CN(C)CC2)S1	REAL300028941766	0	51	0.0	-81.01	410.21	4.45	-76.56
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC2=C(C[N@H+](C)CC2)S1	REAL300028941766	1	51	0.0	-81.29	410.40	4.48	-76.81
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC2=C(C[N@@H+](C)CC2)S1	REAL300028941766	1	51	0.0	-81.29	410.40	4.48	-76.81
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1(C2CC[NH+](C)CC2)CC1	REAL300028941780	0	57	0.0	-71.82	422.62	5.10	-66.72
CC1=C2C=C(C(=O)N(C)CC(C)CNC(=O)C3=CC(=O)[N-]O3)C=CN2C=N1	REAL300028941791	0	48	0.0	-73.06	397.85	5.79	-67.27
CC1=C2C=C(C(=O)N(C)CC(C)CNC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300028941791	1	48	0.0	-73.06	397.85	5.79	-67.27
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CSCC[NH+](C)C	REAL300028941807	0	50	0.0	-77.36	407.68	3.85	-73.51
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C(C)[N@H+](C)CC1=CC=CC=C1	REAL300028941829	0	56	0.0	-72.30	432.88	5.78	-66.52
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC2=C(CCCC2)N=C1N	REAL300028941833	0	53	0.0	-62.80	411.67	3.24	-59.56
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC2=C(CCCC2)[NH+]=C1N	REAL300028941833	1	53	0.0	-62.80	411.67	3.24	-59.56
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[N@@H+]1CCCC1CO	REAL300028941842	0	51	0.0	-68.95	395.38	0.39	-68.56
CC[NH+](CC)CC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028941845	0	49	0.0	-68.84	372.37	2.92	-65.92
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[N@H+](C)C1CCSC1	REAL300028941862	0	51	0.0	-76.29	399.89	4.07	-72.22
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[N@@H+](C)C1CCSC1	REAL300028941862	1	51	0.0	-75.39	399.62	4.08	-71.31
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[NH+]1CCC1	REAL300028941864	1	44	0.0	-70.21	350.37	2.26	-67.95
CC[NH+](CC)CCC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028941932	0	52	0.0	-71.75	398.73	3.81	-67.94
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[NH+]1CCC(C(N)=O)CC1	REAL300028941958	0	54	0.0	-84.16	418.26	0.38	-83.78
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC(C[NH+](C)C)=CN1	REAL300028942022	0	51	0.0	-75.28	401.98	3.44	-71.84
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C(C)[NH+]1CCC(O)CC1	REAL300028942048	0	54	0.0	-70.47	405.30	0.58	-69.89
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CC2COCC[N@@H+]2C1	REAL300028942057	0	52	0.0	-69.56	398.26	2.16	-67.40
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CC2COCC[N@H+]2C1	REAL300028942057	1	52	0.0	-73.44	395.37	2.03	-71.41
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C(C)[NH+]1CCC1	REAL300028942079	1	47	0.0	-67.62	365.79	2.75	-64.87
CCC(CC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300028942093	0	55	0.0	-64.65	416.09	4.52	-60.13
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C=CC1=CC=C(N)[NH+]=C1	REAL300028942102	0	47	0.0	-74.22	386.81	2.08	-72.14
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C(C)(C)C[NH+](C)C	REAL300028942103	0	52	0.0	-67.53	378.25	3.04	-64.49
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC(C1=CC=CC=C1)[NH+](C)C	REAL300028942150	0	56	0.0	-75.82	432.08	5.96	-69.86
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C	REAL300028942193	0	50	0.0	-67.60	381.27	3.42	-64.18
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)[C@H]1CCCC[N@H+]1C	REAL300028942193	1	50	0.0	-68.20	365.36	2.87	-65.33
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1C[N@@H+]2CCN1CC2C	REAL300028942211	0	53	0.0	-76.90	389.96	0.48	-76.42
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1C[N@H+]2CCN1CC2C	REAL300028942211	1	53	0.0	-73.25	390.53	0.44	-72.81
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC(O)C[NH+](C)C	REAL300028942247	0	50	0.0	-76.17	393.37	0.91	-75.26
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CC2CCC(C1)[NH+]2C	REAL300028942250	0	54	0.0	-69.56	374.82	3.88	-65.68
C#CC1(O)CC[NH+](C(C)C(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028942292	0	56	0.0	-68.85	430.75	1.64	-67.21
C=CCC(C(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300028942307	0	50	0.0	-67.00	381.97	3.22	-63.78
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CC2CCCC[N@@H+]2C1	REAL300028942323	0	54	0.0	-73.24	404.62	4.39	-68.85
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1CC2CCCC[N@H+]2C1	REAL300028942323	1	54	0.0	-68.33	404.97	4.46	-63.87
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1(C)CC[NH+](C)CC1	REAL300028942341	0	53	0.0	-69.72	388.02	3.43	-66.29
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC1(O)CC[NH+](C)CC1	REAL300028942347	0	54	0.0	-72.37	410.55	2.12	-70.25
COCC[N@@H+]1CCCC1CC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028942366	0	57	0.0	-71.53	430.11	3.21	-68.32
COCC[N@H+]1CCCC1CC(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028942366	1	57	0.0	-71.98	432.27	2.96	-69.02
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC1CC2CCC(C1)[NH+]2C	REAL300028942382	0	57	0.0	-70.57	405.58	4.32	-66.25
CC(CNC(=O)C1=CC=NN1CC[NH+](C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028942427	0	53	0.0	-69.64	417.76	3.24	-66.40
CC(CNC(=O)C1=CC2=C(C[N@H+](C)CC2)S1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028942469	1	51	0.0	-78.54	412.92	4.85	-73.69
CC(CNC(=O)C1=CC2=C(C[N@@H+](C)CC2)S1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028942469	1	51	0.0	-79.39	411.96	4.86	-74.53
CC(CNC(=O)C1(C2CC[NH+](C)CC2)CC1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028942481	0	57	0.0	-68.79	426.66	5.43	-63.36
CC1=C2C=C(C(=O)NCC(C)CN(C)C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300028942494	1	48	0.0	-73.29	390.77	5.83	-67.46
CC(CNC(=O)CSCC[NH+](C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028942509	0	50	0.0	-76.01	405.17	3.71	-72.30
CC(CNC(=O)C1CC2COCC[N@@H+]2C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028942521	0	52	0.0	-71.58	397.10	2.11	-69.47
CC(CNC(=O)C1CC2COCC[N@H+]2C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028942521	1	52	0.0	-71.63	397.04	2.12	-69.51
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CCC[N@@H+]1C	REAL300028942685	0	51	0.0	-69.27	370.58	4.30	-64.97
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CCC[N@H+]1C	REAL300028942685	1	51	0.0	-68.14	379.01	4.63	-63.51
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1C[N@H+](C)CCO1	REAL300028942709	1	52	0.0	-83.96	388.78	4.05	-79.91
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1C[N@@H+](C)CCO1	REAL300028942709	1	52	0.0	-87.04	387.73	4.09	-82.95
CC(C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCCCC1	REAL300028942870	0	60	0.0	-70.85	420.12	6.43	-64.42
CC(C)[N@@H+]1CCCCC1C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028942872	0	60	0.0	-64.65	418.12	6.16	-58.49
CC(C)[N@H+]1CCCCC1C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028942872	1	60	0.0	-63.91	425.78	6.21	-57.70
CC(C)[N@@H+]1CCCC1C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028942893	0	57	0.0	-68.99	395.49	4.89	-64.10
CC(C)[N@H+]1CCCC1C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028942893	1	57	0.0	-69.06	417.24	5.84	-63.22
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CC2CCCC[N@@H+]2C1	REAL300028942909	0	58	0.0	-74.77	419.39	6.32	-68.45
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CC2CCCC[N@H+]2C1	REAL300028942909	1	58	0.0	-69.95	419.48	6.35	-63.60
CC(C)C1=[NH+]C=CN1CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028942930	1	55	0.0	-65.08	421.35	6.48	-58.60
CC1=[NH+]C=CN1CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028942960	1	49	0.0	-66.71	385.13	5.35	-61.36
CC(C[NH+]1CCOCC1)C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028942961	0	58	0.0	-75.45	422.35	4.36	-71.09
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CCC[NH+]1CCCCC1	REAL300028942977	0	60	0.0	-74.17	440.83	7.14	-67.03
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C(C)(C)[NH+]1CCCCC1	REAL300028942995	0	60	0.0	-72.47	411.08	6.09	-66.38
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1C[NH+]2CCC1CC2	REAL300028943003	0	55	0.0	-80.70	393.11	5.42	-75.28
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CCCC2CCC[N@@H+]21	REAL300028943044	0	58	0.0	-66.59	408.41	6.04	-60.55
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CCCC2CCC[N@H+]21	REAL300028943044	1	58	0.0	-63.38	419.04	6.39	-56.99
C[C@@H]1[C@H](C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300028943058	0	54	0.0	-75.88	386.40	4.83	-71.05
C[C@@H]1[C@H](C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300028943058	1	54	0.0	-74.66	396.96	4.97	-69.69
CC[C@@H]1[C@@H](C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300028943062	0	57	0.0	-70.78	408.53	5.41	-65.37
CC[C@@H]1[C@@H](C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300028943062	1	57	0.0	-71.75	414.03	5.60	-66.15
CC[N@@H+]1CCOC(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028943072	1	55	0.0	-83.83	407.00	4.76	-79.07
CC[N@H+]1CCOC(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028943072	1	55	0.0	-75.17	399.56	4.59	-70.58
CC[NH+](CC)CC(F)C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028943113	0	56	0.0	-73.82	418.08	5.75	-68.07
CC1CCC(C)[NH+]1CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028943176	0	57	0.0	-69.60	409.47	5.71	-63.89
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CCC[NH+]1CCCC1	REAL300028943182	0	57	0.0	-73.90	425.61	6.47	-67.43
C#CC[NH+]1CCC(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028943187	0	56	0.0	-79.90	421.76	6.44	-73.46
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC[NH+]1CCCCC1	REAL300028943188	0	57	0.0	-74.54	419.34	6.33	-68.21
CC[N@@H+]1CCCCC1C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028943194	0	57	0.0	-66.64	401.53	5.65	-60.99
CC[N@H+]1CCCCC1C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028943194	1	57	0.0	-67.40	413.56	6.09	-61.31
CC(C)C[N@@H+]1CCC(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028943208	0	60	0.0	-70.89	436.84	6.63	-64.26
CC(C)C[N@H+]1CCC(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028943208	1	60	0.0	-69.53	437.12	6.63	-62.90
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1([NH+](C)C)CCC1	REAL300028943212	0	54	0.0	-70.35	383.62	4.71	-65.64
CC(C)[N@@H+]1CCCC1CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028943214	0	60	0.0	-72.57	428.38	6.19	-66.38
CC(C)[N@H+]1CCCC1CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028943214	1	60	0.0	-65.99	425.24	6.40	-59.59
CC(C)[C@@H](C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028943227	0	56	0.0	-72.54	393.76	5.40	-67.14
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@H+](C)C1CCC1	REAL300028943268	0	54	0.0	-68.52	401.55	5.71	-62.81
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@@H+](C)C1CCC1	REAL300028943268	1	54	0.0	-67.68	401.65	5.71	-61.97
CC(C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1C(C)CCC1C	REAL300028943327	0	60	0.0	-67.25	423.65	6.01	-61.24
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028943386	1	53	0.0	-69.52	401.34	5.49	-64.03
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028943386	1	53	0.0	-67.61	406.59	5.88	-61.73
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CCC1CCC[N@@H+]1C	REAL300028943392	0	57	0.0	-72.56	416.90	5.81	-66.75
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CCC1CCC[N@H+]1C	REAL300028943392	1	57	0.0	-76.21	423.36	6.43	-69.78
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C12CCC[NH+](CCC1)C2	REAL300028943401	0	58	0.0	-73.59	403.39	5.49	-68.10
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CCC2CCCC[N@@H+]21	REAL300028943404	0	58	0.0	-64.80	420.02	6.54	-58.26
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CCC2CCCC[N@H+]21	REAL300028943404	1	58	0.0	-69.87	415.45	6.30	-63.57
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CCCC[NH+]1CCCC1	REAL300028943420	0	60	0.0	-74.44	447.12	7.25	-67.19
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CC[NH+](C)CC1	REAL300028943431	0	54	0.0	-77.88	396.51	5.24	-72.64
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300028943466	1	53	0.0	-78.00	412.77	5.09	-72.91
CC1=C(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C=CC2=C[NH+]=CN21	REAL300028943467	0	52	0.0	-77.83	404.44	7.58	-70.25
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CCCC[N@@H+]1C	REAL300028943498	0	54	0.0	-69.88	395.32	5.28	-64.60
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CCCC[N@H+]1C	REAL300028943498	1	54	0.0	-70.11	392.54	5.20	-64.91
CC(C)C[N@@H+]1CCCC1C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028943520	0	60	0.0	-68.73	438.70	6.88	-61.85
CC(C)C[N@H+]1CCCC1C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028943520	1	60	0.0	-68.84	430.76	6.38	-62.46
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300028943620	0	49	0.0	-78.24	390.78	7.13	-71.11
CC1=[NH+]C=CN1CCCC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028943628	1	55	0.0	-70.51	426.64	6.72	-63.79
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC[NH+]1CCOCC1	REAL300028943633	1	55	0.0	-77.76	411.05	3.94	-73.82
CC1=C[NH+]=CN1CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028943663	1	49	0.0	-71.95	385.55	6.22	-65.73
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C12CCC[NH+]1CCC2	REAL300028943702	0	55	0.0	-65.92	393.11	5.11	-60.81
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CCCC([NH+](C)C)C1	REAL300028943726	0	60	0.0	-69.70	417.77	5.87	-63.83
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC1CC[N@H+](C)C1	REAL300028943729	0	54	0.0	-75.42	401.65	5.52	-69.90
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC1CC[N@@H+](C)C1	REAL300028943729	1	54	0.0	-72.21	402.61	5.54	-66.67
CN(C)C1=CC=[NH+]C=C1C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028943741	0	53	0.0	-81.67	406.22	3.76	-77.91
CCC(C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028943746	0	53	0.0	-69.68	382.72	4.66	-65.02
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC1([NH+](C)C)CCCC1	REAL300028943758	0	60	0.0	-75.95	419.78	6.36	-69.59
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300028943799	1	49	0.0	-73.15	390.76	7.17	-65.98
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CCCC[NH+](C)C	REAL300028943853	0	56	0.0	-75.26	421.03	5.96	-69.30
CC(C)C(C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028943873	0	56	0.0	-72.37	398.37	5.40	-66.97
CCC[N@H+](C)CCC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028943875	0	56	0.0	-75.92	417.38	5.90	-70.02
CCC[N@@H+](C)CCC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028943875	1	56	0.0	-76.07	416.81	5.77	-70.30
CCC[N@H+](C)CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028943880	0	53	0.0	-70.00	395.20	5.30	-64.70
CCC[N@@H+](C)CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028943880	1	53	0.0	-73.44	395.01	5.30	-68.14
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C12CC[N@H+](C1)CCC2	REAL300028943903	0	55	0.0	-73.39	387.33	4.74	-68.65
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C12CC[N@@H+](C1)CCC2	REAL300028943903	1	55	0.0	-80.81	386.40	4.60	-76.21
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300028943939	0	51	0.0	-67.17	378.49	4.79	-62.38
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)[C@H]1CCC[N@H+]1C	REAL300028943939	1	51	0.0	-73.32	375.17	4.34	-68.98
CCCCCC[N@H+](C)CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028943996	0	62	0.0	-71.18	459.69	7.64	-63.54
CCCCCC[N@@H+](C)CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028943996	1	62	0.0	-71.20	459.42	7.50	-63.70
CC[NH+](CC)C(C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(C)C	REAL300028944000	0	62	0.0	-67.15	422.90	5.85	-61.30
CC[NH+](CC)CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028944009	0	53	0.0	-71.37	387.16	4.84	-66.53
CCC[N@@H+]1CCCC(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028944041	0	60	0.0	-66.54	428.43	6.83	-59.71
CCC[N@H+]1CCCC(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028944041	1	60	0.0	-73.29	434.57	6.65	-66.64
CC(C)[N@@H+]1CCOC(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028944056	0	58	0.0	-73.31	415.77	5.15	-68.16
CC(C)[N@H+]1CCOC(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028944056	1	58	0.0	-82.60	424.00	5.25	-77.35
CC1CC[NH+](CC(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028944085	0	57	0.0	-74.26	417.77	6.25	-68.01
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)COC1CC[NH+](C)CC1	REAL300028944111	0	58	0.0	-79.11	436.00	6.06	-73.05
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1(C[NH+](C)C)CC1	REAL300028944122	0	54	0.0	-75.58	403.30	5.30	-70.28
CC(C)[NH+]1CCC(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028944195	0	60	0.0	-75.01	427.18	6.19	-68.82
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CC[NH+](C)CC1	REAL300028944213	0	54	0.0	-77.88	396.51	5.24	-72.64
CC(C)[C@H](C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028944231	0	56	0.0	-73.91	400.82	5.26	-68.65
CCC(C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](CC)CC	REAL300028944262	0	59	0.0	-67.05	415.37	5.71	-61.34
CC[N@H+](C)CCC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028944318	0	53	0.0	-75.13	395.88	5.15	-69.98
CC[N@@H+](C)CCC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028944318	1	53	0.0	-75.09	395.88	5.14	-69.95
CC1CCC[N@@H+]1CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028944374	0	54	0.0	-67.21	401.34	5.42	-61.79
CC1CCC[N@H+]1CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028944374	1	54	0.0	-66.38	394.43	5.16	-61.22
CC1CC[N@H+](CC(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028944376	0	54	0.0	-69.25	401.34	5.66	-63.59
CC1CC[N@@H+](CC(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028944376	1	54	0.0	-69.99	401.59	5.49	-64.50
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300028944380	0	57	0.0	-72.71	420.86	6.14	-66.57
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@H+]1CCC(C)(C)C1	REAL300028944380	1	57	0.0	-69.34	420.52	6.01	-63.33
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@H+](C)CC(C)(C)C	REAL300028944381	0	59	0.0	-73.05	425.83	6.34	-66.71
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@@H+](C)CC(C)(C)C	REAL300028944381	1	59	0.0	-73.62	423.40	6.17	-67.45
CC[C@@H](C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028944389	0	53	0.0	-66.78	382.74	4.64	-62.14
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC1(O)CC[NH+](C)CC1	REAL300028944546	0	58	0.0	-70.75	423.42	4.25	-66.50
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[NH+](C)C	REAL300028944558	0	47	0.0	-73.54	355.66	3.78	-69.76
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[NH+]1CCC(CO)CC1	REAL300028944562	0	58	0.0	-75.03	428.60	2.94	-72.09
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[NH+]1CCCCCC1	REAL300028944563	0	57	0.0	-69.11	406.51	5.79	-63.32
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N+]1=CN(C)C=C1	REAL300028944567	0	49	0.0	-70.60	387.01	7.39	-63.21
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CCC[N@H+](C)C1	REAL300028944574	0	54	0.0	-64.65	389.51	5.45	-59.20
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CCC[N@@H+](C)C1	REAL300028944574	1	54	0.0	-66.45	389.26	5.44	-61.01
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CCC[N@@H+]1C1CC1	REAL300028944579	0	55	0.0	-73.44	406.19	5.71	-67.73
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CCC[N@H+]1C1CC1	REAL300028944579	1	55	0.0	-67.04	405.24	5.59	-61.45
CC(C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC1	REAL300028944606	1	51	0.0	-68.43	381.62	4.64	-63.79
CCC(CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300028944611	0	59	0.0	-75.23	426.40	6.33	-68.90
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C(C)(C)C[NH+](C)C	REAL300028944618	0	56	0.0	-73.57	397.03	5.04	-68.53
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300028944635	0	56	0.0	-74.00	408.00	6.39	-67.61
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300028944635	1	56	0.0	-67.55	411.12	6.05	-61.50
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[NH+]1CCC(O)CC1	REAL300028944643	1	55	0.0	-78.46	408.59	2.38	-76.08
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@H+](C)C1CC1	REAL300028944644	0	51	0.0	-70.95	385.19	5.29	-65.66
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@@H+](C)C1CC1	REAL300028944644	1	51	0.0	-70.87	385.19	5.29	-65.58
CC(C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)N1CC[NH+](C)CC1	REAL300028944645	1	59	0.0	-71.93	421.97	3.42	-68.51
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC1C[NH+](C)C1	REAL300028944663	0	51	0.0	-73.85	387.10	4.63	-69.22
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CC[N@@H+]1C1CCCC1	REAL300028944667	0	58	0.0	-70.95	421.96	6.47	-64.48
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CC[N@H+]1C1CCCC1	REAL300028944667	1	58	0.0	-72.10	413.64	5.98	-66.12
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300028944675	0	57	0.0	-70.85	416.39	5.42	-65.43
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CC[N@H+]1C(C)(C)C	REAL300028944675	1	57	0.0	-68.83	414.45	5.47	-63.36
C[C@@H](C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028944686	0	50	0.0	-72.12	369.38	4.14	-67.98
CCC1CCC[N@H+](CC(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028944725	0	60	0.0	-74.08	429.77	6.95	-67.13
CCC1CCC[N@@H+](CC(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028944725	1	60	0.0	-73.81	436.77	7.00	-66.81
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CC=C(C[NH+](C)C)N1	REAL300028944732	0	55	0.0	-87.63	418.42	5.35	-82.28
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CN1C=CSC1=[NH2+]	REAL300028944773	0	47	0.0	-66.24	382.76	3.93	-62.31
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC[N@H+](C)CCO	REAL300028944783	0	54	0.0	-75.02	405.67	1.81	-73.21
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC[N@@H+](C)CCO	REAL300028944783	1	54	0.0	-74.50	406.30	1.88	-72.62
C[C@@H](C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028944784	0	50	0.0	-72.12	369.38	4.14	-67.98
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)[C@H]1CCCC[N@@H+]1C	REAL300028944788	0	54	0.0	-69.72	396.70	5.50	-64.22
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)[C@H]1CCCC[N@H+]1C	REAL300028944788	1	54	0.0	-70.95	384.09	4.94	-66.01
CC1CN2CC[N@@H+]1CC2C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028944796	0	57	0.0	-78.09	404.31	2.52	-75.57
CC1CN2CC[N@H+]1CC2C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028944796	1	57	0.0	-77.59	400.34	2.10	-75.49
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC1=CC2=C[NH+]=CN2C=C1	REAL300028944838	0	52	0.0	-71.09	410.18	8.11	-62.98
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@H+](C)C1CCSC1	REAL300028944861	0	55	0.0	-77.75	415.07	6.11	-71.64
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@@H+](C)C1CCSC1	REAL300028944861	1	55	0.0	-78.33	415.15	6.01	-72.32
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[NH+]1CCC1	REAL300028944862	1	48	0.0	-70.54	365.53	4.16	-66.38
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C=C1CC[N@H+](C)C1	REAL300028944892	0	52	0.0	-73.78	394.10	5.46	-68.32
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C=C1CC[N@@H+](C)C1	REAL300028944892	1	52	0.0	-76.35	392.59	5.48	-70.87
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)COCC[NH+](C)C	REAL300028944925	0	54	0.0	-72.73	411.53	4.90	-67.83
CCCCC[N@H+](C)CCC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028944931	0	62	0.0	-76.39	460.26	7.33	-69.06
CCCCC[N@@H+](C)CCC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028944931	1	62	0.0	-76.99	459.81	7.34	-69.65
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300028944940	0	58	0.0	-74.54	429.85	5.94	-68.60
C=CCC(C)(C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028944947	0	57	0.0	-66.52	399.34	5.27	-61.25
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C(O)CC[S+](C)C	REAL300028944952	0	53	0.0	-78.83	415.61	3.21	-75.62
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1(C)CC(O)C[N@@H+]1C	REAL300028944977	0	55	0.0	-69.98	395.02	1.58	-68.40
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CN(C)CC[N@H+](C)C1	REAL300028944987	0	59	0.0	-71.07	421.76	3.33	-67.74
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CN(C)CC[N@@H+](C)C1	REAL300028944987	1	59	0.0	-71.07	421.76	3.33	-67.74
CC(C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[N@@H+]1CCCC(O)C1	REAL300028944988	0	58	0.0	-70.41	425.15	2.66	-67.75
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC1(O)CCC[N@H+](C)C1	REAL300028945006	0	58	0.0	-68.83	416.78	4.04	-64.79
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC1(O)CCC[N@@H+](C)C1	REAL300028945006	1	58	0.0	-68.83	416.78	4.04	-64.79
CC1CN(CC(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028945009	0	51	0.0	-73.08	387.22	4.98	-68.10
CC1C[NH+](CC(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028945009	1	51	0.0	-73.08	387.22	4.98	-68.10
CN(CCO)CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028945035	0	51	0.0	-70.34	383.77	1.18	-69.16
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@H+](C)CCO	REAL300028945035	1	51	0.0	-70.21	384.17	1.31	-68.90
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@@H+](C)CCO	REAL300028945035	1	51	0.0	-70.21	384.17	1.31	-68.90
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1C[N@@H+]2CCN1CCC2	REAL300028945057	0	57	0.0	-78.46	399.37	3.18	-75.28
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1C[N@H+]2CCN1CCC2	REAL300028945057	1	57	0.0	-78.46	399.37	3.18	-75.28
CC[N@@H+]1CCCC(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028945063	0	57	0.0	-70.33	414.44	5.86	-64.47
CC[N@H+]1CCCC(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028945063	1	57	0.0	-70.33	414.44	5.86	-64.47
CC(CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300028945065	0	56	0.0	-74.68	412.86	5.82	-68.86
CC[N@H+](C)CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028945076	0	50	0.0	-73.11	373.51	4.55	-68.56
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C12CCC[N@@H+]1CCCC2	REAL300028945100	0	58	0.0	-68.44	402.70	5.58	-62.86
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C12CCC[N@H+]1CCCC2	REAL300028945100	1	58	0.0	-68.44	402.70	5.58	-62.86
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C12CCC[N@@H+]1CC=CC2	REAL300028945105	0	56	0.0	-67.49	397.04	5.41	-62.08
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C12CCC[N@H+]1CC=CC2	REAL300028945105	1	56	0.0	-67.49	397.04	5.41	-62.08
CC[N@H+](CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300028945125	0	54	0.0	-70.65	403.04	5.84	-64.81
CC[NH+](CC)CCC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028945141	0	56	0.0	-74.05	409.34	5.47	-68.58
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CN1CC(C)(C)C1	REAL300028945164	0	54	0.0	-73.83	406.61	5.55	-68.28
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[NH+]1CC(C)(C)C1	REAL300028945164	1	54	0.0	-73.83	406.61	5.55	-68.28
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300028945189	0	55	0.0	-71.61	411.93	2.25	-69.36
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C=CC[NH+](C)C	REAL300028945196	0	51	0.0	-77.25	392.06	5.06	-72.19
CC(OCC[NH+](C)C)C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028945217	0	57	0.0	-73.30	427.74	5.41	-67.89
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CCOCC[NH+](C)C	REAL300028945225	0	57	0.0	-73.11	432.41	4.62	-68.49
COCCN(C)CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028945226	0	54	0.0	-70.02	406.41	3.71	-66.31
COCC[N@H+](C)CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028945226	1	54	0.0	-70.47	406.03	3.58	-66.89
COCC[N@@H+](C)CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028945226	1	54	0.0	-70.47	406.03	3.58	-66.89
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1([NH+](C)C)CCCC1	REAL300028945259	0	57	0.0	-70.85	394.47	5.29	-65.56
CC(CCC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028945262	0	56	0.0	-72.76	413.02	5.55	-67.21
CCN1CCC1C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028945269	0	51	0.0	-72.62	385.81	4.65	-67.97
CC[N@@H+]1CCC1C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028945269	1	51	0.0	-73.28	385.95	4.78	-68.50
CC[N@H+]1CCC1C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028945269	1	51	0.0	-73.28	385.95	4.78	-68.50
CC(C)[N@@H+]1CCCC(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028945279	0	60	0.0	-74.72	425.98	6.06	-68.66
CC(C)[N@H+]1CCCC(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028945279	1	60	0.0	-74.72	425.98	6.06	-68.66
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@@H+]1CCCC1CO	REAL300028945292	0	55	0.0	-69.94	410.13	2.31	-67.63
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CC2CCCC[N@@H+]2C1	REAL300028945314	0	58	0.0	-69.95	419.48	6.35	-63.60
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CC2CCCC[N@H+]2C1	REAL300028945314	1	58	0.0	-69.95	419.48	6.35	-63.60
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1(C)CC[NH+](C)CC1	REAL300028945320	0	57	0.0	-68.19	403.81	5.42	-62.77
C=CCC(C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028945348	0	54	0.0	-72.00	400.10	5.38	-66.62
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300028945358	0	57	0.0	-67.29	418.88	5.71	-61.58
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CC(C)(C)C[N@H+]1C	REAL300028945358	1	57	0.0	-67.29	418.88	5.71	-61.58
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CCCCC[NH+](C)C	REAL300028945362	0	59	0.0	-74.22	442.52	6.73	-67.49
CC1C[N@@H+]2CCN1C(C(=O)N(C)CC1CCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300028945396	0	57	0.0	-78.15	405.39	2.44	-75.71
CCCC(C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028945397	0	56	0.0	-70.57	404.22	5.44	-65.13
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C(C)(C)[NH+](C)C	REAL300028945401	0	53	0.0	-74.80	374.84	4.55	-70.25
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CCCC[N@@H+]1C	REAL300028945439	0	54	0.0	-70.11	392.54	5.20	-64.91
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC1=CC[N@H+](C)CC1	REAL300028945472	0	55	0.0	-68.58	414.82	6.12	-62.46
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC1=CC[N@@H+](C)CC1	REAL300028945472	1	55	0.0	-68.58	414.82	6.12	-62.46
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC1([NH+]2CCCC2)CC1	REAL300028945481	0	58	0.0	-67.93	420.66	6.52	-61.41
CN(C)CC1=CC=C(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028945525	0	54	0.0	-83.04	416.82	5.68	-77.36
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300028945525	1	54	0.0	-83.04	416.82	5.68	-77.36
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C=CC[NH+]1CCCC1	REAL300028945541	0	55	0.0	-75.98	417.14	6.23	-69.75
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CC[NH+](C2CC2)CC1	REAL300028945562	0	58	0.0	-76.57	421.43	6.44	-70.13
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC[NH+]1CCCC1	REAL300028945583	0	54	0.0	-74.49	404.11	5.65	-68.84
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C12CC(C1)C[N@@H+]2C	REAL300028945627	0	52	0.0	-75.46	382.78	4.87	-70.59
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@@H+]1CC2CCC1C2	REAL300028945639	0	55	0.0	-68.22	402.49	5.87	-62.35
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@H+]1CC2CCC1C2	REAL300028945639	1	55	0.0	-68.22	402.49	5.87	-62.35
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C=C1C[NH+]2CCC1CC2	REAL300028945680	0	56	0.0	-62.91	410.74	6.15	-56.76
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CN1CC2C=CC1C2	REAL300028945690	0	53	0.0	-71.95	395.18	5.86	-66.09
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@@H+]1CC2C=CC1C2	REAL300028945690	1	53	0.0	-68.67	395.74	5.76	-62.91
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@H+]1CC2C=CC1C2	REAL300028945690	1	53	0.0	-68.67	395.74	5.76	-62.91
CC(C[NH+](C)C)C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028945738	0	53	0.0	-74.68	391.37	4.86	-69.82
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC1CCCC[N@@H+]1C	REAL300028945808	0	57	0.0	-76.84	414.51	5.99	-70.85
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC1CCCC[N@H+]1C	REAL300028945808	1	57	0.0	-76.84	414.51	5.99	-70.85
CC1=C2C=C(C(=O)N(C)CC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=N1	REAL300028945824	0	52	0.0	-77.04	412.82	7.74	-69.30
CC1=C2C=C(C(=O)N(C)CC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300028945824	1	52	0.0	-77.04	412.82	7.74	-69.30
CC1CCN1CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028945828	0	51	0.0	-67.98	381.58	4.71	-63.27
CC1CC[N@@H+]1CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028945828	1	51	0.0	-70.80	381.72	4.69	-66.11
CC1CC[N@H+]1CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028945828	1	51	0.0	-70.80	381.72	4.69	-66.11
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC(O)C[NH+](C)C	REAL300028945832	0	54	0.0	-77.99	408.24	2.84	-75.15
CC1C[N@H+](C)CC(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028945859	1	55	0.0	-78.92	402.38	4.77	-74.15
CC1C[N@@H+](C)CC(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028945859	1	55	0.0	-86.85	402.23	4.70	-82.15
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC[NH+]1CCC(O)CC1	REAL300028945868	0	58	0.0	-78.11	430.42	2.98	-75.13
CCC[N@@H+]1CCCCC1C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028945870	0	60	0.0	-67.38	434.00	6.64	-60.74
CCC[N@H+]1CCCCC1C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028945870	1	60	0.0	-67.77	427.63	6.43	-61.34
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300028945940	0	54	0.0	-69.99	405.20	5.64	-64.35
CC(CC[NH+](C)C)C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028945948	0	56	0.0	-74.41	413.05	5.50	-68.91
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300028945968	0	58	0.0	-68.15	426.19	3.16	-64.99
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O	REAL300028945968	1	58	0.0	-65.52	426.80	3.07	-62.45
C#CC[N@H+]1CCCCC1C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028945974	1	56	0.0	-71.16	409.37	6.06	-65.10
C#CC[N@@H+]1CCCCC1C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028945974	1	56	0.0	-69.50	421.53	6.59	-62.91
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CN1CC[NH+](C)CC1	REAL300028945977	1	56	0.0	-72.23	414.48	3.24	-68.99
CC[NH+]1CCN(CC(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028945986	0	59	0.0	-69.34	432.18	3.90	-65.44
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CSC(N)=[NH2+]	REAL300028946010	0	45	0.0	-75.28	363.58	0.80	-74.48
CC[N@@H+]1CCOCC1CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028946045	0	58	0.0	-77.08	424.02	4.39	-72.69
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CCC([NH+](C)C)CC1	REAL300028946060	0	60	0.0	-68.47	418.33	6.04	-62.43
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1(CC[NH+](C)C)CC1	REAL300028946061	0	57	0.0	-78.06	426.77	6.15	-71.91
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300028946063	0	60	0.0	-66.82	421.36	6.32	-60.50
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC1CC=CC[N@@H+]1C	REAL300028946064	0	55	0.0	-66.63	401.97	5.93	-60.70
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC1CC=CC[N@H+]1C	REAL300028946064	1	55	0.0	-66.63	401.97	5.93	-60.70
C[C@@H](OCC[NH+](C)C)C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028946085	0	57	0.0	-69.26	426.18	5.35	-63.91
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CC2CCC(C1)[NH+]2C	REAL300028946111	0	58	0.0	-73.62	392.42	5.93	-67.69
CC(C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCSCC1	REAL300028946217	1	55	0.0	-73.92	411.01	5.69	-68.23
CCC1C[NH+](CC(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028946219	0	54	0.0	-73.78	408.62	5.74	-68.04
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1([NH+]2CCCC2)CCC1	REAL300028946221	0	58	0.0	-67.33	412.66	5.86	-61.47
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300028946230	0	51	0.0	-67.75	371.92	4.27	-63.48
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300028946230	1	51	0.0	-67.57	378.15	4.52	-63.05
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC[N@H+]1CCC(F)C1	REAL300028946237	1	54	0.0	-75.49	409.93	5.63	-69.86
COC1C[N@@H+](C)C(C)(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028946245	1	58	0.0	-77.46	414.23	3.80	-73.66
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC[NH+]1CCCCCC1	REAL300028946253	0	60	0.0	-76.09	429.68	6.45	-69.64
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C[NH+]1CCCCC1	REAL300028946255	0	54	0.0	-73.39	397.29	5.64	-67.75
CC1C(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300028946265	0	54	0.0	-76.06	396.97	5.05	-71.01
CC1C(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300028946265	1	54	0.0	-75.35	391.82	5.04	-70.31
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CCC1CCCC[N@@H+]1C	REAL300028946267	0	60	0.0	-77.89	429.76	6.69	-71.20
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CCC1CCCC[N@H+]1C	REAL300028946267	1	60	0.0	-77.71	429.77	6.67	-71.04
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CC[N@@H+]2CCOCC12	REAL300028946295	0	56	0.0	-70.50	405.28	3.93	-66.57
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CC[N@H+]2CCOCC12	REAL300028946295	1	56	0.0	-69.92	404.17	4.28	-65.64
CC1=[NH+]C=C2C=CC(C(=O)N(C)CC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)=CN21	REAL300028946300	0	52	0.0	-71.40	404.42	6.76	-64.64
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC1COCCN1C	REAL300028946314	0	55	0.0	-69.27	398.93	3.60	-65.67
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC1COCC[N@@H+]1C	REAL300028946314	1	55	0.0	-69.35	398.94	3.60	-65.75
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC1COCC[N@H+]1C	REAL300028946314	1	55	0.0	-69.27	398.93	3.60	-65.67
CC1=C(C)[NH+]=C(CCC(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300028946322	1	55	0.0	-68.50	425.90	5.10	-63.40
CN(CC1CCN(C(=O)C2CCC[N@@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028946492	0	51	0.0	-60.49	378.99	4.76	-55.73
CN(CC1CCN(C(=O)C2CCC[N@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028946492	1	51	0.0	-60.53	374.66	4.43	-56.10
CN(CC1CCN(C(=O)C2CN(C)CCO2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028946518	0	52	0.0	-79.52	389.76	4.20	-75.32
CN(CC1CCN(C(=O)C2C[N@H+](C)CCO2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028946518	1	52	0.0	-78.47	382.31	4.06	-74.41
CN(CC1CCN(C(=O)C2C[N@@H+](C)CCO2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028946518	1	52	0.0	-79.52	389.76	4.20	-75.32
CC1=[NH+]C=CN1CCCC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028946678	1	55	0.0	-63.57	426.31	6.88	-56.69
CN(CC1CCN(C(=O)CC[NH+]2CCOCC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028946683	1	55	0.0	-67.65	410.61	4.01	-63.64
CN(CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028946708	0	55	0.0	-59.00	392.92	5.22	-53.78
CN(CC1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028946717	1	49	0.0	-67.66	390.91	7.27	-60.39
CN(CC1CCN(C(=O)C2CCCC([NH+](C)C)C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028946771	0	60	0.0	-65.47	432.62	6.52	-58.95
CN(CC1CCN(C(=O)CC2CC[N@H+](C)C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028946774	0	54	0.0	-74.28	403.57	5.64	-68.64
CN(CC1CCN(C(=O)CC2CC[N@@H+](C)C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028946774	1	54	0.0	-75.92	403.71	5.56	-70.36
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028946786	0	53	0.0	-66.31	405.06	3.92	-62.39
CCC(C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028946791	0	53	0.0	-61.09	380.97	4.71	-56.38
CN(CC1CCN(C(=O)CCCC[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028946853	0	56	0.0	-81.01	420.69	6.12	-74.89
CC(C)C(C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028946875	0	56	0.0	-60.53	399.85	5.41	-55.12
CCC[N@H+](C)CCC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028946877	0	56	0.0	-65.63	417.88	5.93	-59.70
CCC[N@@H+](C)CCC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028946877	1	56	0.0	-65.84	416.93	5.94	-59.90
CCC[N@H+](C)CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028946882	0	53	0.0	-63.20	394.57	5.37	-57.83
CCC[N@@H+](C)CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028946882	1	53	0.0	-63.27	394.57	5.35	-57.92
CN(CC1CCN(C(=O)C23CC[N@H+](C2)CCC3)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028946905	0	55	0.0	-64.70	390.69	4.79	-59.91
CN(CC1CCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028946905	1	55	0.0	-77.28	386.79	4.66	-72.62
CCCCCC[N@H+](C)CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028946937	0	62	0.0	-63.92	460.01	7.67	-56.25
CCCCCC[N@@H+](C)CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028946937	1	62	0.0	-63.91	460.00	7.68	-56.23
CC[NH+](CC)C(C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1)C(C)C	REAL300028946941	0	62	0.0	-57.44	430.21	6.46	-50.98
CC1CC[NH+](CC(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028946973	0	57	0.0	-62.38	418.87	6.41	-55.97
CN(CC1CCN(C(=O)COC2CC[NH+](C)CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028946999	0	58	0.0	-71.38	435.24	6.11	-65.27
CN(CC1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028947041	0	58	0.0	-61.99	420.18	6.46	-55.53
CN(CC1CCN(C(=O)C2CC3CCCC[N@H+]3C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028947041	1	58	0.0	-74.58	419.94	6.44	-68.14
CN(CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028947052	0	54	0.0	-76.64	405.06	5.54	-71.10
CC(C)[NH+]1CCC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028947063	0	60	0.0	-63.61	430.78	6.42	-57.19
CC[N@H+](C)CCC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028947084	0	53	0.0	-65.04	396.38	5.19	-59.85
CC[N@@H+](C)CCC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028947084	1	53	0.0	-64.95	396.38	5.18	-59.77
CN(CC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028947110	0	60	0.0	-75.47	419.20	6.43	-69.04
CN(CC1CCN(C(=O)C2C[NH+]3CCC2CC3)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028947118	0	55	0.0	-69.05	392.84	5.46	-63.59
CN(CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028947193	0	54	0.0	-66.16	400.12	5.47	-60.69
CC(C)[C@H](C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028947211	0	56	0.0	-60.51	399.84	5.41	-55.10
CC[NH+](CC)CC(F)C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028947297	0	56	0.0	-65.21	418.37	5.88	-59.33
CC(C)C[N@@H+]1CCC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028947329	0	60	0.0	-64.67	437.16	6.78	-57.89
CC(C)C[N@H+]1CCC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028947329	1	60	0.0	-71.23	437.97	6.84	-64.39
CN(CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028947333	0	54	0.0	-59.24	381.17	4.80	-54.44
CCC(C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](CC)CC	REAL300028947364	0	59	0.0	-57.12	417.60	6.07	-51.05
CC1CCC[N@@H+]1CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028947384	0	54	0.0	-60.18	400.67	5.73	-54.45
CC1CCC[N@H+]1CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028947384	1	54	0.0	-60.41	400.52	5.71	-54.70
CC(C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCCCC1	REAL300028947439	0	60	0.0	-59.01	421.02	6.28	-52.73
CC(C)[N@@H+]1CCCCC1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028947441	0	60	0.0	-57.31	420.11	6.08	-51.23
CC(C)[N@H+]1CCCCC1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028947441	1	60	0.0	-56.47	426.73	6.36	-50.11
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028947462	0	57	0.0	-57.93	403.48	6.12	-51.81
CC(C)[N@H+]1CCCC1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028947462	1	57	0.0	-57.94	403.75	6.12	-51.82
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028947468	0	60	0.0	-58.45	425.41	6.53	-51.92
CC(C)[N@H+]1CCCC1CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028947468	1	60	0.0	-62.09	434.81	6.68	-55.41
CC(C)[C@@H](C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028947481	0	56	0.0	-61.93	395.56	5.66	-56.27
CC1CC[N@H+](CC(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028947501	0	54	0.0	-70.94	401.85	5.63	-65.31
CC1CC[N@@H+](CC(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028947501	1	54	0.0	-62.17	401.58	5.69	-56.48
CN(CC1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028947505	0	57	0.0	-62.15	420.98	6.17	-55.98
CN(CC1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028947505	1	57	0.0	-75.18	420.55	6.17	-69.01
CN(CC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028947506	0	59	0.0	-62.27	426.54	6.48	-55.79
CN(CC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028947506	1	59	0.0	-62.27	424.18	6.32	-55.95
CC[C@@H](C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028947514	0	53	0.0	-61.07	380.95	4.72	-56.35
CC1=[NH+]C=CN1CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028947704	1	49	0.0	-60.86	385.68	5.54	-55.32
CC(C[NH+]1CCOCC1)C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028947705	0	58	0.0	-63.34	425.31	4.50	-58.84
CN(CC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028947721	0	60	0.0	-65.58	441.79	7.21	-58.37
CN(CC1CCN(C(=O)C2=NOC(C[NH+](C)C)=C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028947736	1	53	0.0	-79.40	411.78	5.19	-74.21
CC1=C(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)C=CC2=C[NH+]=CN21	REAL300028947737	0	52	0.0	-66.67	408.87	7.52	-59.15
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028947771	1	55	0.0	-59.45	422.04	6.66	-52.79
CN(CC1CCN(C(=O)C2CCCC3CCC[N@@H+]32)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028947802	0	58	0.0	-56.64	418.92	6.56	-50.08
CN(CC1CCN(C(=O)C2CCCC3CCC[N@H+]32)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028947802	1	58	0.0	-57.16	420.37	6.60	-50.56
CC[N@@H+]1CCOC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028947819	1	55	0.0	-81.73	406.47	4.84	-76.89
CC[N@H+]1CCOC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028947819	1	55	0.0	-60.09	400.70	4.68	-55.41
CN(CC1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028947870	0	49	0.0	-67.07	390.81	7.27	-59.80
CC1=C[NH+]=CN1CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028947875	1	49	0.0	-64.71	385.10	6.29	-58.42
C[C@@H]1[C@H](C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300028947889	0	54	0.0	-72.30	392.19	5.48	-66.82
C[C@@H]1[C@H](C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300028947889	1	54	0.0	-74.35	396.68	5.48	-68.87
CC[C@@H]1[C@@H](C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300028947893	0	57	0.0	-65.31	412.65	5.52	-59.79
CC[C@@H]1[C@@H](C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300028947893	1	57	0.0	-65.87	413.44	5.81	-60.06
CC1CCC(C)[NH+]1CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028947904	0	57	0.0	-71.91	412.42	5.94	-65.97
CN(CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028947910	0	57	0.0	-66.22	423.57	6.42	-59.80
C#CC[NH+]1CCC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028947916	0	56	0.0	-67.58	425.29	6.68	-60.90
CN(CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028947917	0	57	0.0	-64.27	420.29	6.40	-57.87
CC[N@@H+]1CCCCC1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028947924	0	57	0.0	-59.01	413.26	6.09	-52.92
CC[N@H+]1CCCCC1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028947924	1	57	0.0	-66.24	414.58	6.14	-60.10
CN(CC1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028947964	0	60	0.0	-65.25	420.14	6.43	-58.82
CN(CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948105	0	54	0.0	-61.30	402.52	5.91	-55.39
CN(CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948105	1	54	0.0	-60.83	402.38	5.91	-54.92
CC(C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1C(C)CCC1C	REAL300028948127	0	60	0.0	-55.98	423.87	6.02	-49.96
CN(CC1CCN(C(=O)CCCC[NH+]2CCCC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948139	0	60	0.0	-66.58	447.61	7.28	-59.30
CN(CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948150	0	54	0.0	-66.16	400.12	5.47	-60.69
CN(CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948191	0	51	0.0	-68.86	378.39	4.75	-64.11
CN(CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948191	1	51	0.0	-60.47	374.72	4.46	-56.01
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028948214	1	53	0.0	-61.06	400.64	5.70	-55.36
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028948214	1	53	0.0	-72.86	404.04	6.04	-66.82
CN(CC1CCN(C(=O)CCC2CCC[N@@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948220	0	57	0.0	-65.79	417.93	5.96	-59.83
CN(CC1CCN(C(=O)CCC2CCC[N@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948220	1	57	0.0	-65.85	423.65	6.46	-59.39
CN(CC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948229	0	58	0.0	-69.13	404.16	5.59	-63.54
CN(CC1CCN(C(=O)C2CCC3CCCC[N@@H+]32)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948232	0	58	0.0	-59.05	415.99	6.38	-52.67
CN(CC1CCN(C(=O)C2CCC3CCCC[N@H+]32)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948232	1	58	0.0	-59.45	415.45	6.43	-53.02
CCC[N@@H+]1CCCC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028948301	0	60	0.0	-74.81	437.72	6.78	-68.03
CCC[N@H+]1CCCC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028948301	1	60	0.0	-72.77	437.71	6.78	-65.99
CC(C)[N@@H+]1CCOC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028948316	1	58	0.0	-65.20	415.84	5.17	-60.03
CC(C)[N@H+]1CCOC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028948316	1	58	0.0	-68.49	416.98	5.16	-63.33
CN(CC1CCN(C(=O)C2CCCC[N@@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948339	0	54	0.0	-62.55	388.66	5.14	-57.41
CN(CC1CCN(C(=O)C2CCCC[N@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948339	1	54	0.0	-60.61	395.70	5.46	-55.15
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028948362	0	60	0.0	-68.22	434.10	6.55	-61.67
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028948362	1	60	0.0	-59.30	437.49	6.91	-52.39
CN(CC1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948377	0	58	0.0	-64.03	429.70	3.10	-60.93
CC1C(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300028948420	0	54	0.0	-65.37	398.31	5.22	-60.15
CC1C(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300028948420	1	54	0.0	-64.71	393.51	5.04	-59.67
CN(CC1CCN(C(=O)CCC2CCCC[N@@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948422	0	60	0.0	-66.18	430.24	6.69	-59.49
CN(CC1CCN(C(=O)CCC2CCCC[N@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948422	1	60	0.0	-64.06	430.24	6.70	-57.36
CN(CC1CCN(C(=O)C2=CC3=C(CCC3)[NH+]=C2N)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948453	1	54	0.0	-56.22	412.93	4.66	-51.56
CN(CC1CCN(C(=O)C2CC[N@@H+]2C(C)(C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948511	0	57	0.0	-58.72	416.67	5.59	-53.13
CN(CC1CCN(C(=O)C2CC[N@H+]2C(C)(C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948511	1	57	0.0	-58.87	416.92	5.54	-53.33
C[C@@H](C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028948529	0	50	0.0	-61.85	371.56	4.25	-57.60
C=CCC(C)(C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028948546	0	57	0.0	-58.77	398.84	5.30	-53.47
CN(CC1CCN(C(=O)CC[NH+]2CCCC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948568	0	54	0.0	-64.76	403.67	5.71	-59.05
CN(CC1CCN(C(=O)C[N@H+](C)CCO)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948578	1	51	0.0	-63.84	384.36	1.35	-62.49
CN(CC1CCN(C(=O)C[N@@H+](C)CCO)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948578	1	51	0.0	-63.08	383.37	1.41	-61.67
CN(CC1CCN(C(=O)C2C[N@@H+]3CCN2CCC3)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948614	0	57	0.0	-75.28	403.90	3.64	-71.64
CN(CC1CCN(C(=O)C2C[N@H+]3CCN2CCC3)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948614	1	57	0.0	-81.85	399.39	3.31	-78.54
CC(C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCSCC1	REAL300028948635	1	55	0.0	-76.25	413.20	5.84	-70.41
CN(CC1CCN(C(=O)CC2=CC[N@H+](C)CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948667	0	55	0.0	-67.67	414.49	6.32	-61.35
CN(CC1CCN(C(=O)CC2=CC[N@@H+](C)CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948667	1	55	0.0	-70.94	415.61	6.32	-64.62
CN(CC1CCN(C(=O)C(O)CC[S+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948682	0	53	0.0	-66.97	416.95	3.35	-63.62
CN(CC1CCN(C(=O)C2(C)CC(O)C[N@@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948700	0	55	0.0	-72.27	393.86	1.13	-71.14
CN(CC1CCN(C(=O)C2(C)CC(O)C[N@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948700	1	55	0.0	-81.88	397.27	1.74	-80.14
CN(CC1CCN(C(=O)C2CN(C)CC[N@H+](C)C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948710	0	59	0.0	-71.60	422.94	3.91	-67.69
CN(CC1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948710	1	59	0.0	-71.25	422.68	3.95	-67.30
CC(C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1)[N@@H+]1CCCC(O)C1	REAL300028948711	0	58	0.0	-60.14	424.55	2.74	-57.40
CC(C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1)[N@H+]1CCCC(O)C1	REAL300028948711	1	58	0.0	-66.94	425.78	2.79	-64.15
CN(CC1CCN(C(=O)C2=C(N)[NH+]=CC3=C2CCC3)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948738	0	54	0.0	-59.42	417.33	4.71	-54.71
CN(CC1CCN(C(=O)CC2(O)CCC[N@H+](C)C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948744	0	58	0.0	-64.68	413.94	4.20	-60.48
CN(CC1CCN(C(=O)CC2(O)CCC[N@@H+](C)C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948744	1	58	0.0	-62.17	416.65	4.07	-58.10
CC1C[NH+](CC(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028948749	1	51	0.0	-62.99	387.58	5.02	-57.97
CC[N@@H+]1CCCC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028948756	0	57	0.0	-62.54	418.41	6.14	-56.40
CC[N@H+]1CCCC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028948756	1	57	0.0	-71.45	418.19	6.15	-65.30
CN(CC1CCN(C(=O)CC2=CC=C[NH+]=C2N)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948762	0	50	0.0	-61.93	390.52	3.77	-58.16
CN(CC1CCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948774	0	55	0.0	-61.11	408.15	5.87	-55.24
CN(CC1CCN(C(=O)C2CCC[N@H+]2C2CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948774	1	55	0.0	-58.87	402.29	5.73	-53.14
CN(CC1CCN(C(=O)C=CC[NH+]2CCCC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948816	0	55	0.0	-68.24	416.13	6.23	-62.01
CN(CC1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948837	0	58	0.0	-63.15	429.44	6.88	-56.27
CC[N@H+](C)CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028948880	0	50	0.0	-62.98	373.07	4.61	-58.37
CN(CC1CCN(C(=O)CN2CC3C=CC2C3)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948931	0	53	0.0	-60.82	394.73	5.92	-54.90
CN(CC1CCN(C(=O)C[N@@H+]2CC3C=CC2C3)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948931	1	53	0.0	-60.74	394.50	5.90	-54.84
CN(CC1CCN(C(=O)C[N@H+]2CC3C=CC2C3)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948931	1	53	0.0	-60.74	394.50	5.90	-54.84
CN(CC1CCN(C(=O)C23CCC[N@@H+]2CCCC3)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949050	0	58	0.0	-58.59	404.85	5.67	-52.92
CN(CC1CCN(C(=O)C23CCC[N@H+]2CCCC3)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949050	1	58	0.0	-58.59	404.85	5.67	-52.92
CN(CC1CCN(C(=O)C23CCC[N@@H+]2CC=CC3)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949057	0	56	0.0	-65.53	398.76	5.67	-59.86
CN(CC1CCN(C(=O)C23CCC[N@H+]2CC=CC3)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949057	1	56	0.0	-65.53	398.76	5.67	-59.86
CC(OCC[NH+](C)C)C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028949067	0	57	0.0	-78.54	428.09	5.49	-73.05
CN(CC1CCN(C(=O)CCOCC[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949076	0	57	0.0	-78.08	432.03	4.81	-73.27
COCCN(C)CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028949078	0	54	0.0	-62.70	405.61	3.80	-58.90
COCC[N@H+](C)CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028949078	1	54	0.0	-63.74	406.61	3.76	-59.98
COCC[N@@H+](C)CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028949078	1	54	0.0	-63.74	406.61	3.76	-59.98
CC(CCC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028949083	0	56	0.0	-77.91	413.95	5.70	-72.21
CC[N@H+](CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300028949108	0	54	0.0	-60.05	401.99	5.90	-54.15
CC1C[N@@H+]2CCN1C(C(=O)N1CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300028949123	0	57	0.0	-79.85	406.27	2.65	-77.20
CN(CC1CCN(C(=O)C23CC(C2)C[N@@H+]3C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949146	0	52	0.0	-72.39	383.11	5.05	-67.34
CC1=NC(N)=CC=C1C=CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028949155	0	54	0.0	-64.16	419.19	4.63	-59.53
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028949155	1	54	0.0	-64.16	419.19	4.63	-59.53
CN(CC1CCN(C(=O)C[N@@H+]2CC3CCC2C3)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949161	0	55	0.0	-69.59	403.51	6.05	-63.54
CN(CC1CCN(C(=O)C[N@H+]2CC3CCC2C3)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949161	1	55	0.0	-69.59	403.51	6.05	-63.54
CC(C[NH+](C)C)C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028949181	0	53	0.0	-65.72	392.13	4.96	-60.76
CC[N@@H+]1CCC1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028949229	0	51	0.0	-61.91	386.60	4.92	-56.99
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028949241	0	60	0.0	-57.95	426.67	6.65	-51.30
CC(C)[N@H+]1CCCC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028949241	1	60	0.0	-57.95	426.67	6.65	-51.30
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028949256	0	59	0.0	-60.15	418.29	4.31	-55.84
C#CCN1CCCCC1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028949297	0	56	0.0	-57.56	421.19	6.62	-50.94
C#CC[N@H+]1CCCCC1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028949297	1	56	0.0	-69.24	410.93	6.18	-63.06
C#CC[N@@H+]1CCCCC1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028949297	1	56	0.0	-69.24	410.93	6.18	-63.06
CNC1=NC(C)=CC=C1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028949298	0	53	0.0	-57.40	408.84	4.52	-52.88
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028949298	1	53	0.0	-57.40	408.84	4.52	-52.88
CCCC(C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028949308	0	56	0.0	-62.76	406.13	5.63	-57.13
CN(CC1CCN(C(=O)C(C)(C)[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949315	0	53	0.0	-58.31	375.60	4.42	-53.89
CC(CC[NH+](C)C)C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028949333	0	56	0.0	-79.43	413.46	5.57	-73.86
CN(CC1CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949400	0	56	0.0	-60.16	408.17	7.28	-52.88
CN(CC1CCN(C(=O)C2CC(C)(C)C[N@@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949434	0	57	0.0	-71.66	422.40	6.00	-65.66
CN(CC1CCN(C(=O)C2CC(C)(C)C[N@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949434	1	57	0.0	-71.66	422.40	6.00	-65.66
CN(CC1CCN(C(=O)CCCCC[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949439	0	59	0.0	-80.04	442.19	6.90	-73.14
CN(CC1CCN(C(=O)CC[NH+]2CCC(O)CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949443	0	58	0.0	-68.04	430.43	3.08	-64.96
CCC[N@@H+]1CCCCC1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028949447	0	60	0.0	-57.84	435.19	6.81	-51.03
CCC[N@H+]1CCCCC1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028949447	1	60	0.0	-57.84	435.19	6.81	-51.03
CN(CC1CCN(C(=O)CN2CCN(C)CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949456	0	56	0.0	-67.67	415.30	3.42	-64.25
CN(CC1CCN(C(=O)CN2CC[NH+](C)CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949456	1	56	0.0	-67.67	415.30	3.42	-64.25
CC1CN(C)CC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028949549	0	55	0.0	-90.99	403.35	4.91	-86.08
CC1C[N@H+](C)CC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028949549	1	55	0.0	-68.27	403.43	4.74	-63.53
CC1C[N@@H+](C)CC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028949549	1	55	0.0	-68.27	403.43	4.74	-63.53
CCC1CCC[N@H+](CC(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028949581	0	60	0.0	-71.83	437.49	7.04	-64.79
CCC1CCC[N@@H+](CC(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028949581	1	60	0.0	-71.83	437.49	7.04	-64.79
CN(CC1CCN(C(=O)C[NH+]2CC3CC3C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949604	0	52	0.0	-62.20	391.75	5.81	-56.39
CN(CC1CCN(C(=O)CC2([NH+]3CCCC3)CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949617	0	58	0.0	-60.85	421.30	6.73	-54.12
CN(CC1CCN(C(=O)C2CCCC[N@@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949654	0	54	0.0	-60.61	395.70	5.46	-55.15
CN(CC1CCN(C(=O)C=C2CC[N@H+](C)C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949769	0	52	0.0	-77.48	394.74	5.52	-71.96
CN(CC1CCN(C(=O)C=C2CC[N@@H+](C)C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949769	1	52	0.0	-77.48	394.74	5.52	-71.96
CN(CC1CCN(C(=O)CNC2=CC=[NH+]C=C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949774	0	50	0.0	-64.25	391.03	3.21	-61.04
CN(CC1CCN(C(=O)C=C2C[NH+]3CCC2CC3)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949831	0	56	0.0	-71.53	411.73	6.36	-65.17
CN(CC1CCN(C(=O)C2([NH+](C)C)CCCC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949866	0	57	0.0	-59.66	391.72	5.48	-54.18
CN(CC1CCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949877	0	58	0.0	-70.52	427.32	3.15	-67.37
CN(CC1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949877	1	58	0.0	-67.90	427.04	3.24	-64.66
CCC1C[NH+](CC(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028949881	0	54	0.0	-63.58	408.74	5.73	-57.85
CN(CC1CCN(C(=O)C2([NH+]3CCCC3)CCC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949885	0	58	0.0	-59.92	410.89	6.13	-53.79
CN(CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949899	0	51	0.0	-71.87	374.78	4.46	-67.41
CN(CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949899	1	51	0.0	-61.05	381.25	4.83	-56.22
CC[N@@H+]1CCOCC1CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028949927	0	58	0.0	-73.04	419.78	4.32	-68.72
CN(CC1CCN(C(=O)C2=CC=C3NC(N)=NC3=C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950008	0	51	0.0	-79.06	399.52	4.84	-74.22
CN(CC1CCN(C(=O)C2=CC=C3NC(N)=[NH+]C3=C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950008	1	51	0.0	-79.06	399.52	4.84	-74.22
CN(CC1CCN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950042	0	54	0.0	-74.10	405.62	5.69	-68.41
CN(CC1CCN(C(=O)C2CCC([NH+](C)C)CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950056	0	60	0.0	-64.93	425.03	6.40	-58.53
CN(CC1CCN(C(=O)C2(CC[NH+](C)C)CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950057	0	57	0.0	-79.33	426.91	6.27	-73.06
CN(CC1CCN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950059	0	60	0.0	-66.56	424.59	6.44	-60.12
CN(CC1CCN(C(=O)CC2CC=CC[N@@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950060	0	55	0.0	-75.18	407.41	6.07	-69.11
CN(CC1CCN(C(=O)CC2CC=CC[N@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950060	1	55	0.0	-75.18	407.41	6.07	-69.11
CC1=CC(C=CC(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)=CN=C1N	REAL300028950108	0	54	0.0	-63.67	420.36	4.91	-58.76
CC1=CC(C=CC(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)=C[NH+]=C1N	REAL300028950108	1	54	0.0	-63.67	420.36	4.91	-58.76
CN(CC1CCN(C(=O)COCC[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950120	0	54	0.0	-77.60	411.20	5.06	-72.54
CCCCC[N@H+](C)CCC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028950126	0	62	0.0	-66.36	460.87	7.48	-58.88
CCCCC[N@@H+](C)CCC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028950126	1	62	0.0	-66.36	460.87	7.48	-58.88
CN(CC1CCN(C(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950137	0	58	0.0	-73.00	432.78	5.84	-67.16
CN(CC1CCN(C(=O)CN2C=CSC2=[NH2+])CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950161	0	47	0.0	-60.85	382.40	4.13	-56.72
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028950230	0	57	0.0	-64.18	427.49	5.47	-58.71
CN(CC1CCN(C(=O)CC[NH+]2CCCCCC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950268	0	60	0.0	-65.81	430.29	6.60	-59.21
CN(CC1CCN(C(=O)C[NH+]2CCCCC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950272	0	54	0.0	-61.76	398.02	5.79	-55.97
CN(CC1CCN(C(=O)C2CCC[N@H+](C)C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950274	0	54	0.0	-66.33	391.06	5.40	-60.93
CN(CC1CCN(C(=O)C2CCC[N@@H+](C)C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950274	1	54	0.0	-73.21	392.33	5.64	-67.57
CN(CC1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950275	0	58	0.0	-64.03	429.70	3.10	-60.93
CN(CC1CCN(C(=O)C[NH+]2CCCCCC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950276	0	57	0.0	-61.60	407.36	5.97	-55.63
CN(CC1CCN(C(=O)C[N+]2=CN(C)C=C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950281	0	49	0.0	-62.38	387.52	7.43	-54.95
CN(CC1CCN(C(=O)C2=CC=C(C[NH+](C)C)O2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950297	1	54	0.0	-88.30	418.00	5.76	-82.54
CN(CC1CCN(C(=O)C[NH+]2CCC(O)CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950313	0	55	0.0	-65.72	409.09	2.44	-63.28
CN(CC1CCN(C(=O)C[N@@H+](C)C2CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950318	1	51	0.0	-60.69	384.60	5.35	-55.34
CC(C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1)N1CC[NH+](C)CC1	REAL300028950320	1	59	0.0	-66.40	423.65	3.46	-62.94
CN(CC1CCN(C(=O)CC[N@H+]2CCC(F)C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950322	1	54	0.0	-67.32	410.90	5.79	-61.53
COC1C[N@@H+](C)C(C)(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028950332	1	58	0.0	-61.08	419.13	3.83	-57.25
CC(CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300028950349	0	56	0.0	-79.72	412.51	5.99	-73.73
CN(CC1CCN(C(=O)C2CC[N@@H+]3CCOCC23)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950364	0	56	0.0	-71.25	406.10	3.82	-67.43
CN(CC1CCN(C(=O)C2CC[N@H+]3CCOCC23)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950364	1	56	0.0	-62.05	404.13	4.05	-58.00
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(CN(C)C(=O)C4=CC(=O)[N-]O4)CC3)=CN21	REAL300028950369	0	52	0.0	-75.28	406.64	6.85	-68.43
CN(CC1CCN(C(=O)CC2COCCN2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950383	0	55	0.0	-77.89	406.83	3.82	-74.07
CN(CC1CCN(C(=O)CC2COCC[N@@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950383	1	55	0.0	-67.84	399.59	3.65	-64.19
CN(CC1CCN(C(=O)CC2COCC[N@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950383	1	55	0.0	-77.89	406.83	3.82	-74.07
CC[NH+]1CCN(CC(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028950391	0	59	0.0	-66.34	432.54	4.07	-62.27
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028950443	1	50	0.0	-62.30	387.65	3.20	-59.10
CN(CC1CCN(C(=O)CCC2=CC=C(N)[NH+]=C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950446	0	53	0.0	-62.94	415.30	4.47	-58.47
CN(CC1CCN(C(=O)C[N@H+]2CCC(C)(O)C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950485	1	55	0.0	-62.65	411.59	2.34	-60.31
CN(CC1CCN(C(=O)CC2C[NH+](C)C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950519	0	51	0.0	-66.95	386.62	4.81	-62.14
CN(CC1CCN(C(=O)C2CC[N@@H+]2C2CCCC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950524	0	58	0.0	-60.83	421.17	6.40	-54.43
CN(CC1CCN(C(=O)C2CC[N@H+]2C2CCCC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950524	1	58	0.0	-71.63	426.69	6.73	-64.90
CN(CC1CCN(C(=O)C[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950532	0	47	0.0	-76.31	355.33	3.93	-72.38
CN(CC1CCN(C(=O)CC[N@H+](C)CCO)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950560	0	54	0.0	-65.14	405.79	1.99	-63.15
CN(CC1CCN(C(=O)CC[N@@H+](C)CCO)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950560	1	54	0.0	-65.13	406.68	1.98	-63.15
C[C@@H](C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028950561	0	50	0.0	-61.85	371.56	4.25	-57.60
CN(CC1CCN(C(=O)CC2CCCC[N@@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950581	0	57	0.0	-64.87	408.18	6.05	-58.82
CN(CC1CCN(C(=O)CC2CCCC[N@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950581	1	57	0.0	-64.71	408.69	6.08	-58.63
CC1=C2C=C(C(=O)N3CCC(CN(C)C(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300028950601	1	52	0.0	-83.25	407.41	7.65	-75.60
CC(C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CC(C)C1	REAL300028950602	0	54	0.0	-60.73	403.74	5.37	-55.36
CC1CC[N@H+]1CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028950606	1	51	0.0	-61.54	381.76	4.83	-56.71
CN(CC1CCN(C(=O)C=CC[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950619	0	51	0.0	-83.03	392.45	5.18	-77.85
CN(CC1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950632	1	54	0.0	-71.84	407.02	5.56	-66.28
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300028950650	1	55	0.0	-60.09	425.55	5.28	-54.81
CC1=C2C=C(C(=O)N3CCC(CN(C)C(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300028950661	1	52	0.0	-83.25	407.41	7.65	-75.60
CN(CC1CCN(C(=O)CSCC[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950670	0	54	0.0	-84.24	422.22	5.95	-78.29
CN(CC1CCN(C(=O)C[N@H+]2CCCC2CO)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950695	1	55	0.0	-68.32	402.80	2.53	-65.79
CC[NH+](CC)CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028950699	0	53	0.0	-73.92	392.18	5.26	-68.66
CN(CC1CCN(C(=O)C[N@@H+](C)C2CCSC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950709	1	55	0.0	-67.44	414.83	6.17	-61.27
CN(CC1CCN(C(=O)C[NH+]2CCC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950711	1	48	0.0	-63.39	365.40	4.36	-59.03
CC[NH+](CC)CCC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028950757	0	56	0.0	-78.30	414.57	5.88	-72.42
CN(CC1CCN(C(=O)C2=CC(C[NH+](C)C)=CN2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950819	0	55	0.0	-69.40	419.20	5.49	-63.91
CC(C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC(O)CC1	REAL300028950836	0	58	0.0	-61.65	424.90	2.76	-58.89
CN(CC1CCN(C(=O)C2CC3COCC[N@@H+]3C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950842	0	56	0.0	-64.71	410.00	4.13	-60.58
CN(CC1CCN(C(=O)C2CC3COCC[N@H+]3C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950842	1	56	0.0	-71.00	411.28	4.17	-66.83
CC(C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC1	REAL300028950856	0	51	0.0	-73.89	381.97	4.75	-69.14
CCC(CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300028950862	0	59	0.0	-68.58	431.29	6.60	-61.98
CN(CC1CCN(C(=O)C=CC2=CC=C(N)[NH+]=C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950869	0	51	0.0	-65.45	401.58	4.17	-61.28
CN(CC1CCN(C(=O)C(C)(C)C[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950870	0	56	0.0	-60.12	386.30	5.38	-54.74
CN(CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950928	0	54	0.0	-68.06	396.61	5.54	-62.52
CN(CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950928	1	54	0.0	-69.72	386.21	5.08	-64.64
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028950942	0	57	0.0	-72.18	405.87	2.54	-69.64
CC1CN2CC[N@H+]1CC2C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028950942	1	57	0.0	-61.54	405.58	2.53	-59.01
CN(CC1CCN(C(=O)CC(O)C[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950963	0	54	0.0	-83.36	407.79	2.96	-80.40
CN(CC1CCN(C(=O)C2CC3CCC(C2)[NH+]3C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950966	0	58	0.0	-62.83	400.16	5.66	-57.17
C=CCC(C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028950998	0	54	0.0	-60.14	395.94	5.25	-54.89
CN(CC1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028951006	0	58	0.0	-61.99	420.18	6.46	-55.53
CN(CC1CCN(C(=O)C2CC3CCCC[N@H+]3C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028951006	1	58	0.0	-74.58	419.94	6.44	-68.14
CN(CC1CCN(C(=O)C2(C)CC[NH+](C)CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028951017	0	57	0.0	-65.74	404.44	5.44	-60.30
CN(CC1CCN(C(=O)CC2(O)CC[NH+](C)CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028951019	0	58	0.0	-67.30	426.70	4.25	-63.05
CC1=C2C=C(C(=O)N(C)CC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300028951095	1	52	0.0	-77.04	412.82	7.74	-69.30
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CSCC[NH+](C)C	REAL300028951104	0	54	0.0	-78.33	422.55	5.77	-72.56
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CC2COCC[N@@H+]2C1	REAL300028951112	0	56	0.0	-73.05	411.11	3.97	-69.08
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1CC2COCC[N@H+]2C1	REAL300028951112	1	56	0.0	-76.42	410.12	3.94	-72.48
CC(=O)N1CCCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028951123	1	45	0.0	-77.63	332.15	2.73	-74.90
C[N@@H+]1CCCC1C(=O)N1CCCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028951224	0	57	0.0	-69.99	414.17	3.18	-66.81
C[N@H+]1CCCC1C(=O)N1CCCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028951224	1	57	0.0	-69.71	411.41	2.98	-66.73
CCC(C(=O)N1CCCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028951340	0	59	0.0	-70.73	416.49	3.16	-67.57
CCC[N@H+](C)CC(=O)N1CCCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028951345	0	59	0.0	-73.46	426.75	3.66	-69.80
CCC[N@@H+](C)CC(=O)N1CCCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028951345	1	59	0.0	-73.31	429.58	3.87	-69.44
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028951353	0	57	0.0	-72.57	406.06	2.67	-69.90
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028951353	1	57	0.0	-69.90	413.09	3.16	-66.74
CC[NH+](CC)CC(=O)N1CCCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028951359	0	59	0.0	-71.53	419.08	3.34	-68.19
CC[N@H+](C)CCC(=O)N1CCCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028951420	0	59	0.0	-75.11	427.61	3.50	-71.61
CC[N@@H+](C)CCC(=O)N1CCCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028951420	1	59	0.0	-75.13	427.61	3.53	-71.60
CC[C@@H](C(=O)N1CCCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028951423	0	59	0.0	-69.57	415.49	3.14	-66.43
C[NH+](C)CC(=O)N1CCCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028951441	0	53	0.0	-73.90	387.55	2.26	-71.64
CC(C(=O)N1CCCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+]1CCC1	REAL300028951445	1	57	0.0	-70.50	406.40	2.68	-67.82
C[N@H+](CC(=O)N1CCCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300028951452	0	57	0.0	-70.33	416.81	3.67	-66.66
C[N@@H+](CC(=O)N1CCCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300028951452	1	57	0.0	-70.88	416.95	3.67	-67.21
C[NH+]1CC(CC(=O)N2CCCC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028951458	0	57	0.0	-74.40	418.84	3.13	-71.27
C[C@@H](C(=O)N1CCCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028951466	0	56	0.0	-70.65	401.39	2.45	-68.20
C[C@@H](C(=O)N1CCCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028951488	0	56	0.0	-70.65	401.39	2.45	-68.20
O=C(C[NH+]1CCC1)N1CCCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028951507	1	54	0.0	-73.62	397.87	2.72	-70.90
C[C@H](C(=O)N1CCCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300028951519	0	56	0.0	-71.45	405.14	2.65	-68.80
CC1C[NH+](CC(=O)N2CCCC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300028951527	1	57	0.0	-73.50	418.85	3.35	-70.15
C[N@H+](CCO)CC(=O)N1CCCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028951538	1	57	0.0	-74.19	418.46	-0.11	-74.30
C[N@@H+](CCO)CC(=O)N1CCCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028951538	1	57	0.0	-73.89	415.70	-0.36	-74.25
CC[N@H+](C)CC(=O)N1CCCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028951546	0	56	0.0	-73.16	405.27	2.93	-70.23
CC[N@@H+](C)CC(=O)N1CCCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028951546	1	56	0.0	-73.04	408.08	3.13	-69.91
C[NH+](C)CC=CC(=O)N1CCCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028951565	0	57	0.0	-78.78	426.48	3.73	-75.05
CC[N@@H+]1CCC1C(=O)N1CCCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028951571	1	57	0.0	-69.89	410.90	2.87	-67.02
CC[N@H+]1CCC1C(=O)N1CCCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028951571	1	57	0.0	-70.65	410.45	2.89	-67.76
C[NH+](C)C(C)(C)C(=O)N1CCCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028951585	0	59	0.0	-73.94	406.81	2.60	-71.34
C[NH+](C)C1(C(=O)N2CCCC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300028951611	0	57	0.0	-76.13	413.22	3.12	-73.01
CC(C[NH+](C)C)C(=O)N1CCCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028951634	0	59	0.0	-79.09	424.78	3.40	-75.69
CC1CC[N@@H+]1CC(=O)N1CCCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028951646	1	57	0.0	-70.79	415.70	3.13	-67.66
CC1CC[N@H+]1CC(=O)N1CCCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028951646	1	57	0.0	-70.84	415.75	3.13	-67.71
NC(=[NH2+])SCC(=O)N1CCCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028951669	0	51	0.0	-76.63	398.26	-0.49	-77.12
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028951701	0	57	0.0	-69.34	410.01	3.07	-66.27
C[N@H+]1CCC[C@H]1C(=O)N1CCCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028951701	1	57	0.0	-70.98	405.59	2.70	-68.28
C[N@@H+]1CCCC1C(=O)N1CCN(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028951817	0	57	0.0	-71.40	406.23	2.71	-68.69
C[N@H+]1CCCC1C(=O)N1CCN(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028951817	1	57	0.0	-67.58	408.74	2.88	-64.70
CC(=O)N1CC[NH+](C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028951896	1	45	0.0	-75.48	333.17	2.83	-72.65
CCC(C(=O)N1CCN(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300028951902	0	59	0.0	-71.37	419.05	3.35	-68.02
CCC[N@H+](C)CC(=O)N1CCN(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028951906	0	59	0.0	-69.87	429.57	3.85	-66.02
CCC[N@@H+](C)CC(=O)N1CCN(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028951906	1	59	0.0	-69.51	426.49	3.49	-66.02
CC[N@H+](C)CCC(=O)N1CCN(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028951926	0	59	0.0	-71.25	427.36	3.35	-67.90
CC[N@@H+](C)CCC(=O)N1CCN(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028951926	1	59	0.0	-71.15	427.36	3.35	-67.80
CC[C@@H](C(=O)N1CCN(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300028951970	0	59	0.0	-68.41	417.91	3.18	-65.23
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028952018	0	57	0.0	-72.24	406.26	2.62	-69.62
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028952018	1	57	0.0	-66.24	409.04	2.91	-63.33
C[C@@H](C(=O)N1CCN(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300028952076	0	56	0.0	-73.43	407.35	2.75	-70.68
C[N@H+](CCO)CC(=O)N1CCN(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028952086	1	57	0.0	-70.36	415.34	-0.49	-70.85
C[N@@H+](CCO)CC(=O)N1CCN(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028952086	1	57	0.0	-70.00	418.09	-0.10	-70.10
CC1C[NH+](CC(=O)N2CCN(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028952105	1	57	0.0	-74.64	421.67	3.54	-71.10
CC[N@H+](C)CC(=O)N1CCN(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028952123	0	56	0.0	-69.50	408.07	3.11	-66.39
CC[N@@H+](C)CC(=O)N1CCN(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028952123	1	56	0.0	-74.19	408.06	3.11	-71.08
CC(C[NH+](C)C)C(=O)N1CCN(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028952156	0	59	0.0	-75.73	423.15	3.15	-72.58
C[NH+](C)C1(C(=O)N2CCN(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300028952159	0	57	0.0	-68.14	406.50	2.31	-65.83
C[C@H](C(=O)N1CCN(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300028952164	0	56	0.0	-72.26	407.49	2.85	-69.41
CC[N@@H+]1CCC1C(=O)N1CCN(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028952167	1	57	0.0	-73.81	420.91	3.39	-70.42
CC[N@H+]1CCC1C(=O)N1CCN(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028952167	1	57	0.0	-71.81	410.47	2.79	-69.02
C[NH+](C)C(C)(C)C(=O)N1CCN(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028952176	0	59	0.0	-70.02	407.45	2.55	-67.47
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028952240	0	57	0.0	-65.93	413.82	3.11	-62.82
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028952240	1	57	0.0	-73.41	406.12	2.64	-70.77
C[N@H+](CC(=O)N1CCN(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC1	REAL300028952280	0	57	0.0	-71.08	419.62	3.85	-67.23
C[N@@H+](CC(=O)N1CCN(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC1	REAL300028952280	1	57	0.0	-67.22	416.68	3.49	-63.73
C[NH+]1CC(CC(=O)N2CCN(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028952311	0	57	0.0	-76.53	421.63	3.32	-73.21
C[NH+](C)CC(=O)N1CCN(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028952314	0	53	0.0	-74.89	390.34	2.44	-72.45
C[C@@H](C(=O)N1CCN(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300028952319	0	56	0.0	-73.43	407.35	2.75	-70.68
CC1CC[N@@H+]1CC(=O)N1CCN(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028952328	1	57	0.0	-72.64	418.97	3.21	-69.43
CC1CC[N@H+]1CC(=O)N1CCN(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028952328	1	57	0.0	-71.75	413.94	3.01	-68.74
C[NH+](C)CC=CC(=O)N1CCN(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028952329	0	57	0.0	-78.20	422.69	3.42	-74.78
CC[NH+](CC)CC(=O)N1CCN(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028952335	0	59	0.0	-72.02	425.71	3.69	-68.33
O=C(C[NH+]1CCC1)N1CCN(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028952337	1	54	0.0	-69.49	397.36	2.50	-66.99
CC(C(=O)N1CCN(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+]1CCC1	REAL300028952362	0	57	0.0	-66.59	413.05	2.92	-63.67
C[N@@H+]1CCCC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028952568	0	52	0.0	-72.22	392.74	3.91	-68.31
C[N@H+]1CCCC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028952568	1	52	0.0	-73.96	386.45	3.49	-70.47
C[N@@H+]1CCOC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028952592	1	53	0.0	-87.77	403.82	3.28	-84.49
C[N@H+]1CCOC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028952592	1	53	0.0	-74.54	393.06	3.75	-70.79
CC(C)[N@@H+]1CCCC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028952748	0	58	0.0	-73.23	417.57	5.01	-68.22
CC(C)[N@H+]1CCCC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028952748	1	58	0.0	-67.90	421.26	5.48	-62.42
CC1=[NH+]C=CN1CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028952781	1	50	0.0	-70.53	396.16	4.56	-65.97
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1C[NH+]2CCC1CC2	REAL300028952809	0	56	0.0	-78.30	404.38	5.40	-72.90
C[C@@H]1[C@H](C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC[N@@H+]1C	REAL300028952843	0	55	0.0	-74.32	397.49	4.53	-69.79
C[C@@H]1[C@H](C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC[N@H+]1C	REAL300028952843	1	55	0.0	-74.65	408.74	4.47	-70.18
CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC[N@@H+]1C	REAL300028952845	0	58	0.0	-75.32	423.59	4.61	-70.71
CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC[N@H+]1C	REAL300028952845	1	58	0.0	-74.44	432.58	5.19	-69.25
CC[N@@H+]1CCOC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028952852	1	56	0.0	-77.27	414.78	3.88	-73.39
CC[N@H+]1CCOC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028952852	1	56	0.0	-76.14	414.76	3.88	-72.26
CC[NH+](CC)CC(F)C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028952880	0	57	0.0	-74.46	428.38	4.76	-69.70
CC1CCC(C)[NH+]1CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028952916	0	58	0.0	-71.59	423.61	4.88	-66.71
O=C(CCC[NH+]1CCCC1)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028952919	0	58	0.0	-74.17	434.91	5.37	-68.80
O=C(CC[NH+]1CCCCC1)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028952922	0	58	0.0	-74.60	430.23	5.35	-69.25
CC[N@@H+]1CCCCC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028952925	0	58	0.0	-63.78	413.01	5.53	-58.25
CC[N@H+]1CCCCC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028952925	1	58	0.0	-64.09	413.95	5.58	-58.51
C[NH+](C)C1(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CCC1	REAL300028952936	0	55	0.0	-70.57	400.26	4.44	-66.13
CC(C)[C@@H](C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300028952943	0	57	0.0	-72.55	415.80	5.02	-67.53
C[N@H+](CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CCC1	REAL300028952968	0	55	0.0	-71.85	412.83	4.93	-66.92
C[N@@H+](CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CCC1	REAL300028952968	1	55	0.0	-71.11	408.76	5.38	-65.73
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028953044	1	54	0.0	-72.76	413.16	4.73	-68.03
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028953044	1	54	0.0	-73.00	418.96	5.13	-67.87
C[N@@H+]1CCCC1CCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028953049	0	58	0.0	-78.58	433.81	5.34	-73.24
C[N@H+]1CCCC1CCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028953049	1	58	0.0	-73.82	428.10	4.87	-68.95
C[NH+]1CCC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300028953069	0	55	0.0	-77.92	411.33	4.61	-73.31
C[N@@H+]1CCCCC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028953108	0	55	0.0	-71.65	398.91	4.40	-67.25
C[N@H+]1CCCCC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028953108	1	55	0.0	-72.36	398.94	4.30	-68.06
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=CN2C=[NH+]C=C2C=C1	REAL300028953178	0	50	0.0	-74.73	396.85	6.46	-68.27
O=C(CC[NH+]1CCOCC1)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028953185	1	56	0.0	-78.02	421.96	2.95	-75.07
CC1=C[NH+]=CN1CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028953198	1	50	0.0	-73.36	396.49	5.29	-68.07
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C12CCC[NH+]1CCC2	REAL300028953219	0	56	0.0	-75.07	411.41	4.94	-70.13
C[N@@H+]1CCC(CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028953230	0	55	0.0	-77.89	412.84	4.44	-73.45
C[N@H+]1CCC(CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028953230	1	55	0.0	-76.65	412.57	4.46	-72.19
CN(C)C1=CC=[NH+]C=C1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028953236	0	54	0.0	-81.04	417.44	3.75	-77.29
CCC(C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300028953238	0	54	0.0	-71.34	394.72	4.03	-67.31
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=CC2=C[NH+]=CN2C=C1	REAL300028953265	1	50	0.0	-76.24	393.49	6.99	-69.25
C[NH+](C)CCCCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028953297	0	57	0.0	-77.44	432.09	5.08	-72.36
CC(C)C(C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300028953311	0	57	0.0	-73.21	415.27	5.03	-68.18
CCC[N@H+](C)CCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028953312	0	57	0.0	-75.87	428.29	4.90	-70.97
CCC[N@@H+](C)CCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028953312	1	57	0.0	-75.94	428.29	4.90	-71.04
CCC[N@H+](C)CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028953316	0	54	0.0	-74.03	405.96	4.36	-69.67
CCC[N@@H+](C)CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028953316	1	54	0.0	-73.03	402.29	4.89	-68.14
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C12CC[N@H+](C1)CCC2	REAL300028953331	0	56	0.0	-76.59	408.40	4.04	-72.55
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C12CC[N@@H+](C1)CCC2	REAL300028953331	1	56	0.0	-76.57	408.72	4.07	-72.50
C[N@@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028953357	0	52	0.0	-74.55	386.68	3.48	-71.07
C[N@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028953357	1	52	0.0	-72.17	392.27	3.88	-68.29
CC[NH+](CC)CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028953392	0	54	0.0	-73.30	402.32	4.22	-69.08
CC1CC[NH+](CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300028953453	0	58	0.0	-74.44	429.03	5.35	-69.09
C[NH+](C)CC1(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300028953475	0	55	0.0	-79.04	413.87	4.72	-74.32
C[NH+]1CCC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300028953528	0	55	0.0	-77.92	411.33	4.61	-73.31
CC(C)[C@H](C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300028953544	0	57	0.0	-71.52	414.26	5.14	-66.38
CCC(C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](CC)CC	REAL300028953572	0	60	0.0	-67.64	429.53	5.33	-62.31
CC[N@H+](C)CCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028953613	0	54	0.0	-75.09	406.76	4.15	-70.94
CC[N@@H+](C)CCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028953613	1	54	0.0	-75.11	406.79	4.16	-70.95
CC1CCC[N@@H+]1CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028953643	0	55	0.0	-69.73	409.18	5.27	-64.46
CC1CCC[N@H+]1CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028953643	1	55	0.0	-71.36	412.09	4.74	-66.62
CC1CC[N@H+](CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028953645	0	55	0.0	-72.02	409.19	5.34	-66.68
CC1CC[N@@H+](CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028953645	1	55	0.0	-73.42	412.07	4.70	-68.72
CC1(C)CC[N@H+](CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028953649	0	58	0.0	-72.09	428.15	5.85	-66.24
CC1(C)CC[N@@H+](CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028953649	1	58	0.0	-72.09	427.94	5.72	-66.37
C[N@H+](CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)CC(C)(C)C	REAL300028953650	0	60	0.0	-67.84	429.96	5.78	-62.06
C[N@@H+](CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)CC(C)(C)C	REAL300028953650	1	60	0.0	-73.86	436.62	5.45	-68.41
CC[C@@H](C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300028953658	0	54	0.0	-70.55	394.82	4.00	-66.55
C[NH+](C)CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028953762	0	48	0.0	-67.16	363.12	3.50	-63.66
O=C(C[NH+]1CCCCCC1)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028953766	0	58	0.0	-73.31	417.78	4.99	-68.32
CN1C=C[N+](CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)=C1	REAL300028953769	0	50	0.0	-70.73	393.76	6.90	-63.83
C[N@@H+]1CCCC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028953774	0	55	0.0	-66.90	407.64	5.11	-61.79
C[N@H+]1CCCC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028953774	1	55	0.0	-68.19	405.05	4.78	-63.41
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CCC[N@@H+]1C1CC1	REAL300028953779	0	56	0.0	-70.36	423.87	5.35	-65.01
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CCC[N@H+]1C1CC1	REAL300028953779	1	56	0.0	-71.62	416.77	4.70	-66.92
CC(C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+]1CCC1	REAL300028953795	1	52	0.0	-71.92	396.47	3.83	-68.09
CCC(CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C[NH+](C)C	REAL300028953799	0	60	0.0	-69.46	441.82	5.47	-63.99
C[NH+](C)CC(C)(C)C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028953804	0	57	0.0	-71.42	414.88	4.61	-66.81
O=C(C[NH+]1CCC(O)CC1)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028953819	1	56	0.0	-78.49	419.51	1.47	-77.02
C[N@H+](CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300028953820	0	52	0.0	-71.12	395.97	4.35	-66.77
C[N@@H+](CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300028953820	1	52	0.0	-64.35	392.52	4.91	-59.44
C[NH+]1CC(CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028953836	0	52	0.0	-75.79	398.17	3.77	-72.02
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028953847	0	58	0.0	-70.69	411.21	4.05	-66.64
CC(C)(C)[N@H+]1CCC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028953847	1	58	0.0	-71.51	428.09	4.58	-66.93
C[C@@H](C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300028953858	0	51	0.0	-72.64	384.85	3.33	-69.31
[NH2+]=C1SC=CN1CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028953917	0	48	0.0	-69.18	389.60	3.57	-65.61
C[N@H+](CCO)CCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028953924	0	55	0.0	-74.85	417.14	0.94	-73.91
C[N@@H+](CCO)CCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028953924	1	55	0.0	-74.50	417.04	0.94	-73.56
C[C@@H](C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300028953925	0	51	0.0	-72.64	384.85	3.33	-69.31
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028953929	0	55	0.0	-71.46	399.02	4.32	-67.14
C[N@H+]1CCCC[C@@H]1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028953929	1	55	0.0	-70.39	408.20	4.46	-65.93
O=C(C[NH+]1CCC1)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028953979	1	49	0.0	-74.04	376.81	3.37	-70.67
C[N@@H+]1CCC(=CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028953998	0	53	0.0	-69.75	401.05	5.11	-64.64
C[N@H+]1CCC(=CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028953998	1	53	0.0	-75.01	402.03	5.10	-69.91
C[NH+](C)CCOCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954021	0	55	0.0	-74.87	422.60	4.00	-70.87
C=CCC(C)(C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300028954035	0	58	0.0	-62.72	417.57	5.51	-57.21
C[S+](C)CCC(O)C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954039	0	54	0.0	-81.54	431.54	2.60	-78.94
C[N@@H+]1CC(O)CC1(C)C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954058	0	56	0.0	-79.29	415.00	1.10	-78.19
CC1CN(CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028954077	0	52	0.0	-73.31	393.14	4.65	-68.66
CC1C[NH+](CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028954077	1	52	0.0	-73.31	393.14	4.65	-68.66
CN(CCO)CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954095	0	52	0.0	-73.66	391.14	0.91	-72.75
C[N@H+](CCO)CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954095	1	52	0.0	-68.08	390.54	0.80	-67.28
C[N@@H+](CCO)CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954095	1	52	0.0	-68.08	390.54	0.80	-67.28
CC[N@@H+]1CCCC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028954115	0	58	0.0	-74.12	428.68	5.11	-69.01
CC[N@H+]1CCCC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028954115	1	58	0.0	-74.12	428.68	5.11	-69.01
CC(CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C[NH+](C)C	REAL300028954117	0	57	0.0	-76.73	423.90	4.85	-71.88
CC[N@H+](C)CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954122	0	51	0.0	-72.64	380.26	4.06	-68.58
CC[N@H+](CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300028954155	0	55	0.0	-71.25	412.89	4.88	-66.37
CC[NH+](CC)CCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954165	0	57	0.0	-75.76	424.51	4.78	-70.98
CC1(C)CN(CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028954183	0	55	0.0	-74.06	417.51	4.62	-69.44
CC1(C)C[NH+](CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028954183	1	55	0.0	-74.06	417.51	4.62	-69.44
CC1(O)CC[N@H+](CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028954201	0	56	0.0	-72.93	419.67	2.03	-70.90
C[NH+](C)CC=CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954205	0	52	0.0	-79.43	403.92	4.21	-75.22
CC(OCC[NH+](C)C)C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954214	0	58	0.0	-75.92	441.60	4.69	-71.23
C[NH+](C)CCOCCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954220	0	58	0.0	-75.50	443.55	3.74	-71.76
COCCN(C)CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954221	0	55	0.0	-68.07	412.79	3.21	-64.86
COCC[N@H+](C)CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954221	1	55	0.0	-73.88	413.39	3.31	-70.57
COCC[N@@H+](C)CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954221	1	55	0.0	-73.88	413.39	3.31	-70.57
C[NH+](C)C1(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CCCC1	REAL300028954241	0	58	0.0	-77.84	418.62	5.50	-72.34
CC(CCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300028954243	0	57	0.0	-79.42	420.21	4.59	-74.83
CCN1CCC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954249	0	52	0.0	-73.46	391.57	3.59	-69.87
CC[N@@H+]1CCC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954249	1	52	0.0	-73.47	390.87	3.54	-69.93
CC[N@H+]1CCC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954249	1	52	0.0	-73.47	390.87	3.54	-69.93
O=C(C[N@H+]1CCCC1CO)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954262	0	56	0.0	-74.55	416.02	0.91	-73.64
C[NH+]1CCC(C)(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300028954284	0	58	0.0	-73.26	423.99	5.02	-68.24
C=CCC(C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300028954303	0	55	0.0	-74.44	414.56	4.55	-69.89
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954310	0	58	0.0	-74.43	420.41	4.55	-69.88
C[N@H+]1CC(C)(C)CC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954310	1	58	0.0	-74.43	420.41	4.55	-69.88
C[NH+](C)CCCCCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954312	0	60	0.0	-76.56	453.59	5.87	-70.69
CCCC(C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300028954333	0	57	0.0	-74.41	421.35	4.77	-69.64
C[NH+](C)C(C)(C)C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954336	0	54	0.0	-68.33	390.52	4.64	-63.69
C[N@@H+]1CCCCC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954362	0	55	0.0	-72.36	398.94	4.30	-68.06
C[N@H+]1CC=C(CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300028954386	0	56	0.0	-70.89	425.98	5.28	-65.61
C[N@@H+]1CC=C(CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300028954386	1	56	0.0	-70.89	425.98	5.28	-65.61
O=C(C=CC[NH+]1CCCC1)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954426	0	56	0.0	-78.25	429.03	5.38	-72.87
O=C(CC[NH+]1CCCC1)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954459	0	55	0.0	-75.05	413.41	4.55	-70.50
C[N@@H+]1CC2CC1(C(=O)NC1CC3(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC3)C2	REAL300028954488	0	53	0.0	-79.27	397.19	3.98	-75.29
O=C(C[N@@H+]1CC2CCC1C2)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954495	0	56	0.0	-72.29	410.61	4.83	-67.46
O=C(C[N@H+]1CC2CCC1C2)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954495	1	56	0.0	-72.29	410.61	4.83	-67.46
O=C(CN1CC2C=CC1C2)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954535	0	54	0.0	-71.52	405.24	4.71	-66.81
O=C(C[N@@H+]1CC2C=CC1C2)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954535	1	54	0.0	-73.64	405.75	4.82	-68.82
O=C(C[N@H+]1CC2C=CC1C2)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954535	1	54	0.0	-73.64	405.75	4.82	-68.82
CC(C[NH+](C)C)C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954567	0	54	0.0	-76.35	404.75	4.13	-72.22
C[N@@H+]1CCCCC1CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954617	0	58	0.0	-67.20	418.47	5.00	-62.20
C[N@H+]1CCCCC1CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954617	1	58	0.0	-67.20	418.47	5.00	-62.20
CC1CCN1CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954629	0	52	0.0	-73.09	392.23	3.65	-69.44
CC1CC[N@@H+]1CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954629	1	52	0.0	-65.86	394.49	4.62	-61.24
CC1CC[N@H+]1CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954629	1	52	0.0	-65.86	394.49	4.62	-61.24
C[NH+](C)CC(O)CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954632	0	55	0.0	-80.00	419.28	1.96	-78.04
CC1CN(C)CC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)O1	REAL300028954652	0	56	0.0	-80.21	417.86	3.86	-76.35
CC1C[N@H+](C)CC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)O1	REAL300028954652	1	56	0.0	-80.14	417.90	3.87	-76.27
CC1C[N@@H+](C)CC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)O1	REAL300028954652	1	56	0.0	-80.14	417.90	3.87	-76.27
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028954699	0	55	0.0	-75.99	416.08	4.57	-71.42
CC(CC[NH+](C)C)C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954705	0	57	0.0	-75.98	426.73	4.85	-71.13
CN1CCN(CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300028954724	0	57	0.0	-74.72	425.72	2.45	-72.27
C[NH+]1CCN(CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300028954724	1	57	0.0	-74.72	425.72	2.45	-72.27
NC(=[NH2+])SCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954748	0	46	0.0	-77.50	375.25	-0.18	-77.68
C[NH+](C)CCC1(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300028954777	0	58	0.0	-78.50	439.07	5.51	-72.99
C[N@@H+]1CC=CCC1CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954778	0	56	0.0	-63.27	409.41	5.58	-57.69
C[N@H+]1CC=CCC1CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954778	1	56	0.0	-63.27	409.41	5.58	-57.69
C[C@@H](OCC[NH+](C)C)C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954791	0	58	0.0	-71.76	442.11	4.62	-67.14
CCC1C[NH+](CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300028954877	1	55	0.0	-73.66	415.70	5.35	-68.31
C[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954882	0	52	0.0	-68.75	388.86	4.56	-64.19
C[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954882	1	52	0.0	-74.33	386.55	3.48	-70.85
O=C(CC[N@H+]1CCC(F)C1)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954888	0	55	0.0	-81.26	420.99	4.66	-76.60
O=C(CC[N@@H+]1CCC(F)C1)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954888	1	55	0.0	-78.86	417.79	5.39	-73.47
O=C(C[NH+]1CCCCC1)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954901	0	55	0.0	-73.53	408.41	4.82	-68.71
CC1C(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC[N@@H+]1C	REAL300028954907	0	55	0.0	-75.64	404.07	3.96	-71.68
CC1C(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC[N@H+]1C	REAL300028954907	1	55	0.0	-72.38	395.22	4.53	-67.85
C[N@@H+]1CCOCC1CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954936	1	56	0.0	-71.13	409.85	2.62	-68.51
C[N@H+]1CCOCC1CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954936	1	56	0.0	-70.57	413.77	3.40	-67.17
C[N@@H+]1CCCC1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028955107	0	52	0.0	-69.80	391.45	3.86	-65.94
C[N@H+]1CCCC1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028955107	1	52	0.0	-63.17	384.45	4.26	-58.91
C[N@@H+]1CCOC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028955133	1	53	0.0	-82.74	402.41	3.34	-79.40
C[N@H+]1CCOC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028955133	1	53	0.0	-86.65	398.96	3.98	-82.67
O=C(CC[NH+]1CCOCC1)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028955286	1	56	0.0	-76.49	424.82	3.15	-73.34
O=C(NC1CC2(C1)CCN(C(=O)C13CCC[NH+]1CCC3)CC2)C1=CC(=O)[N-]O1	REAL300028955298	0	56	0.0	-68.54	406.91	4.43	-64.11
O=C(NC1CC2(C1)CCN(C(=O)C1=CC3=C[NH+]=CN3C=C1)CC2)C1=CC(=O)[N-]O1	REAL300028955304	1	50	0.0	-80.94	400.90	7.12	-73.82
C[N@@H+]1CCC(CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028955335	0	55	0.0	-74.14	416.35	4.70	-69.44
C[N@H+]1CCC(CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028955335	1	55	0.0	-66.84	412.76	5.39	-61.45
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028955341	0	54	0.0	-83.89	416.32	3.53	-80.36
CCC(C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300028955343	0	54	0.0	-71.57	399.51	4.12	-67.45
C[NH+](C)CCCCC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028955381	0	57	0.0	-76.28	434.96	5.28	-71.00
CC(C)C(C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300028955397	0	57	0.0	-70.23	407.28	4.57	-65.66
CCC[N@H+](C)CCC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028955398	0	57	0.0	-76.33	431.19	5.12	-71.21
CCC[N@@H+](C)CCC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028955398	1	57	0.0	-74.43	431.14	5.10	-69.33
CCC[N@H+](C)CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028955402	0	54	0.0	-73.73	408.86	4.51	-69.22
CCC[N@@H+](C)CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028955402	1	54	0.0	-63.34	405.30	5.14	-58.20
O=C(NC1CC2(C1)CCN(C(=O)C13CC[N@H+](C1)CCC3)CC2)C1=CC(=O)[N-]O1	REAL300028955417	0	56	0.0	-82.59	401.00	3.87	-78.72
O=C(NC1CC2(C1)CCN(C(=O)C13CC[N@@H+](C1)CCC3)CC2)C1=CC(=O)[N-]O1	REAL300028955417	1	56	0.0	-73.36	403.56	3.97	-69.39
CC1CC[NH+](CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300028955450	0	58	0.0	-73.96	432.17	5.58	-68.38
C[NH+](C)CC1(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300028955491	0	55	0.0	-74.92	416.55	4.55	-70.37
CC[N@H+](C)CCC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028955510	0	54	0.0	-75.61	409.69	4.38	-71.23
CC[N@@H+](C)CCC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028955510	1	54	0.0	-73.67	409.64	4.37	-69.30
O=C(NC1CC2(C1)CCN(C(=O)C1C[NH+]3CCC1CC3)CC2)C1=CC(=O)[N-]O1	REAL300028955528	0	56	0.0	-78.19	407.13	4.63	-73.56
C[NH+]1CCC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300028955577	0	55	0.0	-77.94	414.06	4.68	-73.26
CC(C)[C@H](C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300028955593	0	57	0.0	-70.36	408.94	4.66	-65.70
CC[NH+](CC)CC(F)C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028955653	0	57	0.0	-72.29	427.53	4.83	-67.46
C[NH+](C)C1(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)CCC1	REAL300028955674	0	55	0.0	-74.50	394.59	3.88	-70.62
CCC(C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](CC)CC	REAL300028955702	0	60	0.0	-65.36	431.83	5.29	-60.07
CC1CCC[N@@H+]1CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028955713	0	55	0.0	-60.01	404.80	5.12	-54.89
CC1CCC[N@H+]1CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028955713	1	55	0.0	-67.53	408.33	4.50	-63.03
CC(C)[N@@H+]1CCCC1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028955759	0	58	0.0	-58.02	420.38	5.57	-52.45
CC(C)[N@H+]1CCCC1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028955759	1	58	0.0	-70.29	416.62	5.18	-65.11
CC(C)[C@@H](C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300028955768	0	57	0.0	-73.25	408.46	5.29	-67.96
CC1CC[N@H+](CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028955782	0	55	0.0	-72.37	415.84	4.75	-67.62
CC1CC[N@@H+](CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028955782	1	55	0.0	-62.19	412.23	5.48	-56.71
CC1(C)CC[N@H+](CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028955786	0	58	0.0	-70.86	434.39	5.34	-65.52
CC1(C)CC[N@@H+](CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028955786	1	58	0.0	-65.10	431.73	5.94	-59.16
C[N@H+](CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1)CC(C)(C)C	REAL300028955787	0	60	0.0	-62.63	433.91	6.11	-56.52
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C[NH+](C)CCOCC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028957453	0	55	0.0	-73.84	425.47	4.22	-69.62
[NH2+]=C1SC=CN1CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028957481	0	48	0.0	-60.76	393.16	3.91	-56.85
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028957523	0	58	0.0	-71.69	441.79	4.69	-67.00
C[N@@H+]1CCCC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028957553	0	55	0.0	-76.95	413.67	4.66	-72.29
C[N@H+]1CCCC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028957553	1	55	0.0	-76.95	413.67	4.66	-72.29
O=C(C[NH+]1CCCCCC1)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028957554	0	58	0.0	-71.07	420.63	5.13	-65.94
CN1C=C[N+](CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)=C1	REAL300028957558	0	50	0.0	-71.78	397.38	7.21	-64.57
C[N@H+](CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC1	REAL300028957583	0	52	0.0	-71.15	399.01	4.51	-66.64
O=C(CC[N@H+]1CCC(F)C1)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028957586	0	55	0.0	-80.35	423.97	4.95	-75.40
CC(CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1)C[NH+](C)C	REAL300028957607	0	57	0.0	-75.63	426.89	5.17	-70.46
CN1CCOCC1CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028957626	0	56	0.0	-80.31	420.17	2.97	-77.34
C[N@@H+]1CCOCC1CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028957626	1	56	0.0	-69.02	412.68	2.81	-66.21
C[N@H+]1CCOCC1CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028957626	1	56	0.0	-69.02	412.68	2.81	-66.21
CC1=CC(N)=NC=C1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028957666	0	51	0.0	-75.02	398.11	2.88	-72.14
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028957666	1	51	0.0	-75.02	398.11	2.88	-72.14
CC1(O)CC[N@H+](CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028957696	0	56	0.0	-62.59	422.06	2.14	-60.45
C[NH+]1CC(CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028957724	0	52	0.0	-74.90	400.88	3.97	-70.93
C[N@H+](CCO)CCC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028957754	0	55	0.0	-74.85	420.00	1.16	-73.69
C[N@@H+](CCO)CCC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028957754	1	55	0.0	-74.85	420.00	1.16	-73.69
C[N@@H+]1CCCCC1CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028957772	0	58	0.0	-67.16	421.38	5.21	-61.95
C[N@H+]1CCCCC1CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028957772	1	58	0.0	-67.16	421.38	5.21	-61.95
CC1CC[N@@H+]1CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028957787	0	52	0.0	-61.45	391.84	4.52	-56.93
C[NH+](C)CC=CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028957795	0	52	0.0	-76.47	405.72	4.38	-72.09
CC1(C)CN(CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028957801	0	55	0.0	-71.21	420.24	4.72	-66.49
CC1(C)C[NH+](CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300028957801	1	55	0.0	-71.21	420.24	4.72	-66.49
C[NH+](C)CCSCC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028957823	0	55	0.0	-79.19	436.49	5.12	-74.07
O=C(C[N@H+]1CCCC1CO)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028957842	0	56	0.0	-61.41	419.20	2.33	-59.08
CC[NH+](CC)CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028957846	0	54	0.0	-71.82	401.19	4.18	-67.64
O=C(C[NH+]1CCC1)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028957855	1	49	0.0	-72.14	379.65	3.51	-68.63
CC[NH+](CC)CCC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028957886	0	57	0.0	-74.99	423.19	4.80	-70.19
CC(C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+]1CCC1	REAL300028957945	0	52	0.0	-69.42	396.60	3.94	-65.48
CCC(CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1)C[NH+](C)C	REAL300028957950	0	60	0.0	-79.67	444.43	5.79	-73.88
NC1=CC=C(C=CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)C=[NH+]1	REAL300028957955	0	52	0.0	-74.97	415.86	3.36	-71.61
C[NH+](C)CC(C)(C)C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028957956	0	57	0.0	-72.34	409.53	4.14	-68.20
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028957993	0	55	0.0	-61.26	393.70	4.69	-56.57
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028957993	1	55	0.0	-59.11	405.84	5.26	-53.85
C[NH+](C)CC(O)CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028958017	0	55	0.0	-79.00	422.07	2.18	-76.82
C=CCC(C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300028958039	0	55	0.0	-68.78	411.06	4.55	-64.23
C[NH+]1CCC(C)(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300028958052	0	58	0.0	-73.79	417.65	4.59	-69.20
C[NH+](C)CCSCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028958115	0	55	0.0	-80.82	433.62	4.87	-75.95
C[N@@H+]1CCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028958261	0	45	0.0	-44.80	330.32	3.36	-41.44
C[N@H+]1CCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028958261	1	45	0.0	-57.25	331.07	3.39	-53.86
C[N@@H+]1CCOC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028958285	1	46	0.0	-79.04	338.57	2.96	-76.08
C[N@H+]1CCOC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028958285	1	46	0.0	-76.03	335.86	3.18	-72.85
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028958487	1	52	0.0	-69.21	400.13	6.42	-62.79
CC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCCCC1	REAL300028958495	0	54	0.0	-71.02	379.10	5.49	-65.53
CC(C)[N@@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028958498	0	54	0.0	-53.19	381.42	5.19	-48.00
CC(C)[N@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028958498	1	54	0.0	-61.74	372.13	4.88	-56.86
CC(C)[N@@H+]1CCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028958534	0	51	0.0	-71.50	352.73	4.49	-67.01
CC(C)[N@H+]1CCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028958534	1	51	0.0	-65.25	347.41	4.74	-60.51
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC1	REAL300028958564	0	52	0.0	-66.12	377.04	5.72	-60.40
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC3CCCC[N@H+]3C2)CC1	REAL300028958564	1	52	0.0	-73.83	378.75	5.77	-68.06
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028958604	1	49	0.0	-70.29	380.39	5.95	-64.34
CC1=[NH+]C=CN1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028958666	1	43	0.0	-72.11	343.03	4.79	-67.32
CC(C[NH+]1CCOCC1)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028958668	0	52	0.0	-79.18	385.56	3.81	-75.37
O=C(CCC[NH+]1CCCCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028958691	0	54	0.0	-76.46	400.13	6.50	-69.96
CC(C)(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCCC1	REAL300028958732	0	54	0.0	-66.72	359.61	5.14	-61.58
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)CC1	REAL300028958735	0	58	0.0	-75.94	410.06	6.76	-69.18
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)CC1	REAL300028958735	1	58	0.0	-77.62	409.91	6.71	-70.91
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2C[NH+]3CCC2CC3)CC1	REAL300028958753	0	49	0.0	-41.24	347.89	4.31	-36.93
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCCC3CCC[N@@H+]32)CC1	REAL300028958820	0	52	0.0	-57.36	373.62	5.48	-51.88
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCCC3CCC[N@H+]32)CC1	REAL300028958820	1	52	0.0	-68.12	374.28	5.77	-62.35
C[NH+](C)CCN1C=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C=N1	REAL300028958823	0	51	0.0	-72.50	393.19	4.02	-68.48
C[NH+](C)CCN1C=CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300028958840	0	51	0.0	-97.59	391.94	4.77	-92.82
C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300028958848	0	48	0.0	-60.48	347.99	3.83	-56.65
C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300028958848	1	48	0.0	-69.63	350.33	4.13	-65.50
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028958852	1	52	0.0	-69.62	400.58	6.47	-63.15
CC[C@@H]1[C@@H](C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300028958855	0	51	0.0	-76.51	366.77	4.72	-71.79
CC[C@@H]1[C@@H](C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300028958855	1	51	0.0	-68.65	372.55	4.96	-63.69
CC[N@@H+]1CCOC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028958885	1	49	0.0	-62.32	360.93	3.67	-58.65
CC[N@H+]1CCOC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028958885	1	49	0.0	-77.35	363.82	3.79	-73.56
CC[NH+](CC)CC(F)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028958961	0	50	0.0	-67.77	375.06	5.10	-62.67
C[NH+](C)CC1=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)SC=C1	REAL300028958962	0	48	0.0	-68.69	378.11	5.82	-62.87
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=NN1	REAL300028959016	1	52	0.0	-71.83	386.62	4.13	-67.70
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=NN1	REAL300028959016	1	52	0.0	-79.94	386.44	3.77	-76.17
CC1CCC(C)[NH+]1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028959091	0	51	0.0	-72.33	372.57	5.28	-67.05
O=C(CCC[NH+]1CCCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028959102	0	51	0.0	-76.05	383.99	5.78	-70.27
C[NH+](C)CC1=CC=CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300028959103	0	51	0.0	-77.01	382.58	5.85	-71.16
C#CC[NH+]1CCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028959113	0	50	0.0	-55.71	375.18	5.38	-50.33
O=C(CC[NH+]1CCCCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028959115	0	51	0.0	-52.45	376.04	5.33	-47.12
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028959119	0	51	0.0	-56.66	384.60	6.17	-50.49
CC[N@@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028959131	0	51	0.0	-56.19	369.44	5.00	-51.19
CC[N@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028959131	1	51	0.0	-57.77	371.70	5.11	-52.66
CC(C)C(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCCC1	REAL300028959132	0	57	0.0	-67.96	397.11	6.39	-61.57
C[NH+](C)C(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CC=C1	REAL300028959136	1	51	0.0	-71.71	383.91	6.41	-65.30
CC(C)C[N@@H+]1CCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028959163	0	54	0.0	-55.08	393.67	5.66	-49.42
CC(C)C[N@H+]1CCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028959163	1	54	0.0	-63.36	395.10	5.74	-57.62
C[NH+](C)C1(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300028959167	0	48	0.0	-60.86	335.40	3.87	-56.99
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCC[N@@H+]2C2CCOCC2)CC1	REAL300028959170	0	56	0.0	-56.48	395.95	4.69	-51.79
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCC[N@H+]2C2CCOCC2)CC1	REAL300028959170	1	56	0.0	-50.98	394.96	4.04	-46.94
C[NH+](C)C(CN1C=CC=N1)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028959172	1	51	0.0	-62.70	381.04	3.97	-58.73
CC(C)[N@@H+]1CCCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028959179	0	54	0.0	-67.75	382.19	5.35	-62.40
CC(C)[N@H+]1CCCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028959179	1	54	0.0	-53.86	383.33	5.17	-48.69
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCC[N@@H+]2C2CCCC2)CC1	REAL300028959180	0	55	0.0	-64.56	368.83	5.26	-59.30
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCC[N@H+]2C2CCCC2)CC1	REAL300028959180	1	55	0.0	-72.10	374.71	5.57	-66.53
CC(C)[C@@H](C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028959210	0	50	0.0	-63.06	353.05	4.28	-58.78
C[N@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300028959283	0	48	0.0	-49.37	358.25	4.82	-44.55
C[N@@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300028959283	1	48	0.0	-74.28	360.75	5.18	-69.10
CC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1C(C)CCC1C	REAL300028959388	0	54	0.0	-68.81	381.23	5.47	-63.34
CN(CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=[NH+]C=C1	REAL300028959473	0	50	0.0	-46.60	386.77	4.56	-42.04
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028959487	1	47	0.0	-71.36	358.98	4.93	-66.43
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028959487	1	47	0.0	-52.87	360.27	4.90	-47.97
C[N@@H+]1CCCC1CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028959499	0	51	0.0	-79.04	378.18	5.62	-73.42
C[N@H+]1CCCC1CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028959499	1	51	0.0	-70.71	372.57	4.90	-65.81
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1	REAL300028959516	0	52	0.0	-61.15	359.63	4.54	-56.61
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCC3CCCC[N@@H+]32)CC1	REAL300028959524	0	52	0.0	-63.26	371.76	5.59	-57.67
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCC3CCCC[N@H+]32)CC1	REAL300028959524	1	52	0.0	-45.72	371.56	5.34	-40.38
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028959536	0	55	0.0	-75.28	385.57	3.78	-71.50
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028959553	0	54	0.0	-80.79	406.35	6.15	-74.64
O=C(CCCC[NH+]1CCCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028959558	0	54	0.0	-75.66	406.00	6.57	-69.09
C[N@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)CC1=CC=CC=C1	REAL300028959561	1	51	0.0	-81.52	391.29	6.80	-74.72
C[N@@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)CC1=CC=CC=C1	REAL300028959561	1	51	0.0	-81.45	391.34	6.80	-74.65
C[NH+]1CCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028959579	0	48	0.0	-79.48	353.94	4.66	-74.82
C[NH+](C)CC1=CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=NO1	REAL300028959652	1	47	0.0	-79.36	365.50	4.26	-75.10
CC1=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C=CC2=C[NH+]=CN21	REAL300028959654	0	46	0.0	-80.55	363.47	6.51	-74.04
C[N@@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028959713	0	48	0.0	-75.46	344.51	4.15	-71.31
C[N@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028959713	1	48	0.0	-46.17	352.34	4.42	-41.75
CC(C)C[N@@H+]1CCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028959750	0	54	0.0	-71.13	390.53	6.00	-65.13
CC(C)C[N@H+]1CCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028959750	1	54	0.0	-63.46	387.93	5.47	-57.99
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC1	REAL300028959939	0	43	0.0	-77.63	346.66	6.18	-71.45
CC1=[NH+]C=CN1CCCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028959955	1	49	0.0	-53.84	383.01	5.80	-48.04
O=C(CCCC[NH+]1CCOCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028959959	1	55	0.0	-79.28	412.93	4.85	-74.43
C[NH+](C)CC1=CC=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C=C1	REAL300028959965	0	51	0.0	-71.63	383.12	6.16	-65.47
O=C(CC[NH+]1CCOCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028959966	1	49	0.0	-81.02	369.95	3.26	-77.76
C[NH+](C)C(C)(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CC=C1	REAL300028959988	0	54	0.0	-72.70	367.96	5.92	-66.78
CCC[NH+](CCC)CCCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028959996	0	59	0.0	-76.87	432.87	7.19	-69.68
CC[N@H+](C)C(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CC=C1	REAL300028959997	0	54	0.0	-44.42	397.58	6.71	-37.71
CC[N@@H+](C)C(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CC=C1	REAL300028959997	1	54	0.0	-43.92	399.91	6.78	-37.14
CC1=C[NH+]=CN1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028960024	1	43	0.0	-57.45	341.80	5.18	-52.27
O=C(CN1C=[NH+]C2=C1CCCC2)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028960038	1	50	0.0	-56.94	383.62	6.91	-50.03
C[NH+](C)CC1(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCCCC1	REAL300028960086	0	57	0.0	-50.26	378.30	5.06	-45.20
C[NH+](C)CCC1=CC=CC=C1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028960087	0	54	0.0	-53.17	408.38	6.87	-46.30
C[N@H+](CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCCCC1	REAL300028960094	0	57	0.0	-78.89	413.08	6.85	-72.04
C[N@@H+](CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCCCC1	REAL300028960094	1	57	0.0	-78.95	413.09	6.84	-72.11
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1	REAL300028960100	0	49	0.0	-51.28	345.95	4.01	-47.27
C[NH+](C)C1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028960144	0	54	0.0	-74.74	388.90	5.84	-68.90
C[N@@H+]1CCC(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028960151	0	48	0.0	-78.30	360.96	4.86	-73.44
C[N@H+]1CCC(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028960151	1	48	0.0	-77.12	361.04	4.86	-72.26
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028960165	0	47	0.0	-71.22	360.18	2.26	-68.96
CCC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028960171	0	47	0.0	-73.01	340.84	4.19	-68.82
C[NH+](C)C1(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCCC1	REAL300028960196	0	54	0.0	-75.24	375.93	5.35	-69.89
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC1	REAL300028960275	1	43	0.0	-59.78	347.70	6.27	-53.51
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)CC1	REAL300028960324	1	46	0.0	-85.53	366.14	4.74	-80.79
C[NH+](C)CCCCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028960360	0	50	0.0	-77.05	380.03	5.39	-71.66
CC(C)C(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028960385	0	50	0.0	-70.49	351.01	4.45	-66.04
CCC[N@H+](C)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028960387	0	50	0.0	-78.76	376.23	5.22	-73.54
CCC[N@@H+](C)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028960387	1	50	0.0	-78.82	376.27	5.20	-73.62
CCC[N@H+](C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028960394	0	47	0.0	-51.08	351.26	4.25	-46.83
CCC[N@@H+](C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028960394	1	47	0.0	-76.64	353.85	4.62	-72.02
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C23CC[N@H+](C2)CCC3)CC1	REAL300028960427	0	49	0.0	-67.49	342.96	3.67	-63.82
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1	REAL300028960427	1	49	0.0	-71.02	342.42	3.54	-67.48
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028960503	0	45	0.0	-46.35	332.34	3.41	-42.94
C[N@H+]1CCC[C@@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028960503	1	45	0.0	-49.69	333.01	3.58	-46.11
CC1CC2CCC(C(=O)N3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3)C[N@@H+]2C1	REAL300028960534	0	55	0.0	-59.94	396.61	5.92	-54.02
CC1CC2CCC(C(=O)N3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3)C[N@H+]2C1	REAL300028960534	1	55	0.0	-66.12	394.95	5.98	-60.14
CCCCCC[N@H+](C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028960594	0	56	0.0	-77.98	418.36	6.97	-71.01
CCCCCC[N@@H+](C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028960594	1	56	0.0	-52.11	415.76	6.60	-45.51
CC[NH+](CC)C(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(C)C	REAL300028960606	0	56	0.0	-67.29	382.71	5.72	-61.57
CC[NH+](CC)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028960619	0	47	0.0	-74.44	350.43	4.55	-69.89
CCC[N@@H+]1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028960652	0	54	0.0	-75.99	396.54	6.11	-69.88
CCC[N@H+]1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028960652	1	54	0.0	-75.11	393.18	6.02	-69.09
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)CC1	REAL300028960665	0	58	0.0	-69.76	404.95	6.89	-62.87
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCCC[N@H+]2C2CCCC2)CC1	REAL300028960665	1	58	0.0	-67.55	405.84	6.86	-60.69
CC(C)[N@@H+]1CCOC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028960678	1	52	0.0	-66.68	376.38	4.15	-62.53
CC(C)[N@H+]1CCOC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028960678	1	52	0.0	-78.17	371.04	4.09	-74.08
CC1CC[NH+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028960722	0	51	0.0	-76.93	377.26	5.70	-71.23
O=C(C1=CN(C2=CC=[NH+]C=C2)N=C1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028960756	1	46	0.0	-69.83	368.09	3.94	-65.89
C[NH+]1CCC(OCC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028960766	0	52	0.0	-62.34	391.96	5.02	-57.32
C[NH+](C)CC1(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028960786	0	48	0.0	-40.48	355.22	4.26	-36.22
CC1=[NH+]C=C2CCC(C(=O)N3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3)CN21	REAL300028960787	1	50	0.0	-51.68	373.27	5.21	-46.47
CC(C)[NH+]1CCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028960899	0	54	0.0	-48.93	384.31	5.37	-43.56
C[NH+]1CCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028960931	0	48	0.0	-79.48	353.94	4.66	-74.82
CC(C)[C@H](C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028960954	0	50	0.0	-77.84	351.11	4.18	-73.66
CCC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](CC)CC	REAL300028960994	0	53	0.0	-67.91	373.58	5.35	-62.56
CC[N@H+](C)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028961098	0	47	0.0	-77.94	354.77	4.47	-73.47
CC[N@@H+](C)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028961098	1	47	0.0	-78.07	354.77	4.46	-73.61
CC1CCC[N@@H+]1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028961187	0	48	0.0	-72.42	353.32	4.59	-67.83
CC1CCC[N@H+]1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028961187	1	48	0.0	-67.03	350.71	4.25	-62.78
CC1CC[N@H+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028961190	0	48	0.0	-75.76	360.65	4.96	-70.80
CC1CC[N@@H+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028961190	1	48	0.0	-75.79	360.02	4.95	-70.84
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028961191	0	54	0.0	-68.65	389.32	5.30	-63.35
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028961191	1	54	0.0	-61.62	390.10	5.06	-56.56
CC1=[NH+]C=C2CC(C(=O)N3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3)CCN21	REAL300028961193	1	50	0.0	-76.84	375.74	5.37	-71.47
C[NH+](C)CCC1=CC=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C=C1	REAL300028961195	0	54	0.0	-69.02	410.76	6.83	-62.19
CC1(C)CC[N@H+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028961197	0	51	0.0	-68.45	376.93	5.10	-63.35
CC1(C)CC[N@@H+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028961197	1	51	0.0	-49.50	376.92	5.08	-44.42
C[N@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300028961198	0	53	0.0	-50.26	379.38	5.24	-45.02
C[N@@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300028961198	1	53	0.0	-50.61	382.49	5.42	-45.19
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028961199	0	54	0.0	-55.81	411.17	7.28	-48.53
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028961199	1	54	0.0	-55.17	411.18	7.27	-47.90
CC[C@@H](C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028961211	0	47	0.0	-63.07	337.30	3.68	-59.39
CC(COCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCC1	REAL300028961219	0	55	0.0	-72.32	413.32	6.04	-66.28
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1	REAL300028961336	0	55	0.0	-79.77	404.93	6.87	-72.90
C[N@@H+]1C[C@H](C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)[C@@H](C2=CC=CC=C2)C1	REAL300028961399	0	55	0.0	-81.55	413.60	7.03	-74.52
C[N@H+]1C[C@H](C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)[C@@H](C2=CC=CC=C2)C1	REAL300028961399	1	55	0.0	-82.75	414.19	7.04	-75.71
C[NH+]1CCC(O)(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028961510	0	52	0.0	-76.56	383.20	3.21	-73.35
COCC[N@@H+]1CCCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028961519	0	55	0.0	-76.71	404.02	4.59	-72.12
COCC[N@H+]1CCCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028961519	1	55	0.0	-76.91	406.01	4.34	-72.57
O=C(C[NH+]1CCC(CO)CC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028961532	0	52	0.0	-78.28	387.37	2.37	-75.91
O=C(C[NH+]1CCCCCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028961536	0	51	0.0	-75.66	365.60	5.25	-70.41
CN1C=C[N+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300028961541	0	43	0.0	-50.45	343.26	6.36	-44.09
C[N@@H+]1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028961554	0	48	0.0	-52.29	346.93	4.54	-47.75
C[N@H+]1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028961554	1	48	0.0	-71.88	352.15	4.26	-67.62
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1	REAL300028961559	0	49	0.0	-73.40	363.89	5.11	-68.29
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCC[N@H+]2C2CC2)CC1	REAL300028961559	1	49	0.0	-62.83	363.90	5.30	-57.53
CC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC1	REAL300028961600	1	45	0.0	-61.33	339.90	3.79	-57.54
CCC(CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300028961612	0	53	0.0	-70.61	389.89	5.87	-64.74
C[NH+](C)CC(C)(C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028961621	0	50	0.0	-75.96	345.29	4.10	-71.86
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC1	REAL300028961645	0	50	0.0	-70.29	370.80	5.57	-64.72
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CC1	REAL300028961645	1	50	0.0	-75.44	352.39	5.58	-69.86
O=C(C[NH+]1CCC(O)CC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028961673	1	49	0.0	-80.44	367.48	1.73	-78.71
C[N@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300028961675	0	45	0.0	-72.96	343.91	4.61	-68.35
C[N@@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300028961675	1	45	0.0	-66.82	341.51	4.27	-62.55
CC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)N1CC[NH+](C)CC1	REAL300028961676	1	53	0.0	-67.07	379.16	2.41	-64.66
C[NH+]1CC(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028961712	0	45	0.0	-58.20	343.47	3.72	-54.48
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC[N@@H+]2C2CCCC2)CC1	REAL300028961716	0	52	0.0	-73.32	377.86	5.57	-67.75
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC[N@H+]2C2CCCC2)CC1	REAL300028961716	1	52	0.0	-72.62	380.89	5.54	-67.08
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028961725	0	51	0.0	-72.06	356.51	4.20	-67.86
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028961725	1	51	0.0	-66.42	368.71	4.41	-62.01
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCN(C3=CC=[NH+]C=C3)C2)CC1	REAL300028961738	0	51	0.0	-64.29	387.16	3.26	-61.03
C[C@@H](C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028961742	0	44	0.0	-66.67	325.84	3.18	-63.49
CCC1CCC[N@H+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028961801	0	54	0.0	-69.54	393.08	5.99	-63.55
CCC1CCC[N@@H+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028961801	1	54	0.0	-49.84	386.00	5.92	-43.92
C[NH+](C)CC1=CC=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300028961811	0	49	0.0	-83.34	370.70	4.64	-78.70
C[NH+]1C2CCC1CC(CC(=O)N1CCCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300028961828	0	55	0.0	-75.45	380.46	5.71	-69.74
C[NH+](C)C(CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CC=C1	REAL300028961835	0	54	0.0	-55.18	401.75	6.93	-48.25
[NH2+]=C1SC=CN1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028961883	0	41	0.0	-71.43	341.72	3.39	-68.04
C[N@H+](CCO)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028961896	0	48	0.0	-77.57	365.08	1.26	-76.31
C[N@@H+](CCO)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028961896	1	48	0.0	-77.01	365.16	1.24	-75.77
C[C@@H](C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028961897	0	44	0.0	-66.67	325.84	3.18	-63.49
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028961902	0	48	0.0	-50.49	342.12	3.98	-46.51
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028961902	1	48	0.0	-71.62	353.91	4.73	-66.89
CC1CN2CC[N@@H+]1CC2C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028961913	0	51	0.0	-83.05	359.42	1.37	-81.68
CC1CN2CC[N@H+]1CC2C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028961913	1	51	0.0	-78.39	362.68	1.79	-76.60
COC1C[N@@H+]2CCCC2(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028961967	0	53	0.0	-67.64	380.20	3.38	-64.26
COC1C[N@H+]2CCCC2(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028961967	1	53	0.0	-67.31	382.05	3.46	-63.85
O=C(CC1=CC2=C[NH+]=CN2C=C1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028961985	0	46	0.0	-73.11	369.04	7.44	-65.67
C[N@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCSC1	REAL300028962022	0	49	0.0	-81.88	374.01	5.45	-76.43
C[N@@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCSC1	REAL300028962022	1	49	0.0	-56.09	371.38	5.07	-51.02
O=C(C[NH+]1CCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028962023	1	42	0.0	-50.92	322.13	3.26	-47.66
C[NH+](C)CC1=CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC=N1	REAL300028962067	1	50	0.0	-52.28	384.11	4.13	-48.15
C[N@@H+]1CCC(=CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028962069	0	46	0.0	-78.22	352.43	4.77	-73.45
C[N@H+]1CCC(=CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028962069	1	46	0.0	-76.80	351.67	4.48	-72.32
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2C[NH+](C3CCCCC3)C2)CC1	REAL300028962100	0	55	0.0	-77.70	402.23	6.45	-71.25
C[NH+](C)CCOCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028962121	0	48	0.0	-74.04	370.49	4.36	-69.68
CCCCC[N@H+](C)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028962129	0	56	0.0	-79.74	419.26	6.78	-72.96
CCCCC[N@@H+](C)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028962129	1	56	0.0	-79.83	419.23	6.77	-73.06
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028962141	0	52	0.0	-59.87	387.82	4.69	-55.18
C=CCC(C)(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028962153	0	51	0.0	-66.58	353.11	4.50	-62.08
C[S+](C)CCC(O)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028962158	0	47	0.0	-77.76	375.19	2.70	-75.06
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028962201	0	49	0.0	-71.01	346.77	-0.02	-71.03
CN1CC[N@H+](C)CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028962216	0	53	0.0	-74.85	379.97	2.55	-72.30
CN1CC[N@@H+](C)CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028962216	1	53	0.0	-74.85	379.97	2.55	-72.30
CC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[N@@H+]1CCCC(O)C1	REAL300028962217	0	52	0.0	-55.95	378.73	1.86	-54.09
C[N@@H+]1CCCC(O)(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028962246	0	52	0.0	-51.52	383.46	3.28	-48.24
C[N@H+]1CCCC(O)(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028962246	1	52	0.0	-51.52	383.46	3.28	-48.24
CC1CN(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028962250	0	45	0.0	-69.90	342.15	4.02	-65.88
CC1C[NH+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028962250	1	45	0.0	-69.90	342.15	4.02	-65.88
CN(CCO)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028962282	0	45	0.0	-76.96	342.71	0.63	-76.33
C[N@H+](CCO)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028962282	1	45	0.0	-49.44	340.37	0.29	-49.15
C[N@@H+](CCO)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028962282	1	45	0.0	-49.44	340.37	0.29	-49.15
C[NH+]1C2CCC1CC(=CC(=O)N1CCCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300028962315	0	53	0.0	-73.69	383.62	5.78	-67.91
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2C[N@@H+]3CCN2CCC3)CC1	REAL300028962320	0	51	0.0	-88.15	353.19	2.14	-86.01
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2C[N@H+]3CCN2CCC3)CC1	REAL300028962320	1	51	0.0	-88.15	353.19	2.14	-86.01
CC[N@@H+]1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028962331	0	51	0.0	-74.49	372.07	5.28	-69.21
CC[N@H+]1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028962331	1	51	0.0	-74.49	372.07	5.28	-69.21
CC(CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300028962333	0	50	0.0	-77.25	371.86	5.26	-71.99
CC[N@H+](C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028962351	0	44	0.0	-50.96	329.77	3.51	-47.45
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C23CCC[N@@H+]2CCCC3)CC1	REAL300028962383	0	52	0.0	-68.98	357.65	4.46	-64.52
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C23CCC[N@H+]2CCCC3)CC1	REAL300028962383	1	52	0.0	-68.98	357.65	4.46	-64.52
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C23CCC[N@@H+]2CC=CC3)CC1	REAL300028962393	0	50	0.0	-66.47	345.27	4.17	-62.30
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C23CCC[N@H+]2CC=CC3)CC1	REAL300028962393	1	50	0.0	-66.47	345.27	4.17	-62.30
CC[N@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300028962426	0	48	0.0	-73.19	360.82	5.24	-67.95
CC[NH+](CC)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028962451	0	50	0.0	-76.70	372.12	5.16	-71.54
CC1(C)CN(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028962492	0	48	0.0	-70.42	362.50	4.44	-65.98
CC1(C)C[NH+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028962492	1	48	0.0	-70.42	362.50	4.44	-65.98
O=C(CCCC[NH+]1CCCCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028962498	0	57	0.0	-75.81	421.63	7.28	-68.53
CC1(O)CC[N@H+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028962536	0	49	0.0	-76.74	371.17	1.63	-75.11
C[NH+](C)CC=CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028962549	0	45	0.0	-79.36	350.82	4.48	-74.88
CC(OCC[NH+](C)C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028962580	0	51	0.0	-74.35	379.62	4.63	-69.72
C[NH+](C)CCOCCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028962593	0	51	0.0	-74.04	391.44	4.06	-69.98
COCCN(C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028962594	0	48	0.0	-48.64	362.63	2.69	-45.95
COCC[N@H+](C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028962594	1	48	0.0	-77.31	364.96	3.03	-74.28
COCC[N@@H+](C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028962594	1	48	0.0	-77.31	364.96	3.03	-74.28
COCCCC[N@H+](C)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028962632	0	57	0.0	-82.83	431.40	5.06	-77.77
COCCCC[N@@H+](C)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028962632	1	57	0.0	-82.83	431.40	5.06	-77.77
C[NH+](C)C1(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCCC1	REAL300028962660	0	51	0.0	-56.89	344.26	4.09	-52.80
CC(CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028962663	0	50	0.0	-79.35	367.70	5.01	-74.34
CCN1CCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028962674	0	45	0.0	-73.24	337.67	3.89	-69.35
CC[N@@H+]1CCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028962674	1	45	0.0	-70.85	338.74	3.65	-67.20
CC[N@H+]1CCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028962674	1	45	0.0	-70.85	338.74	3.65	-67.20
CC(C)[N@@H+]1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028962690	0	54	0.0	-71.20	378.63	5.77	-65.43
CC(C)[N@H+]1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028962690	1	54	0.0	-71.20	378.63	5.77	-65.43
CN1C=CN=C1N1CCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028962691	0	52	0.0	-56.54	390.06	5.15	-51.39
CN1C=C[NH+]=C1N1CCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028962691	1	52	0.0	-56.54	390.06	5.15	-51.39
CC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[N@H+](C)CC1=CC=CC=C1	REAL300028962698	0	54	0.0	-47.91	404.26	6.78	-41.13
O=C(C[N@H+]1CCCC1CO)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028962707	0	49	0.0	-69.45	358.27	1.42	-68.03
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC1	REAL300028962740	0	52	0.0	-73.83	378.75	5.77	-68.06
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC3CCCC[N@H+]3C2)CC1	REAL300028962740	1	52	0.0	-73.83	378.75	5.77	-68.06
C[NH+]1CCC(C)(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028962751	0	51	0.0	-44.13	356.05	4.23	-39.90
C=CCC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028962801	0	48	0.0	-74.32	354.30	4.69	-69.63
C[NH+](C)C12CCC(C(=O)N3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3)(CC1)CC2	REAL300028962814	0	58	0.0	-79.78	390.56	5.74	-74.04
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028962822	0	51	0.0	-48.35	374.08	4.84	-43.51
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028962822	1	51	0.0	-48.35	374.08	4.84	-43.51
C[NH+](C)CCCCCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028962827	0	53	0.0	-75.53	401.53	6.16	-69.37
CC1C[N@@H+](C2CCC2C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCO1	REAL300028962860	0	56	0.0	-76.35	417.12	5.05	-71.30
CC1C[N@H+](C2CCC2C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCO1	REAL300028962860	1	56	0.0	-76.38	416.86	5.05	-71.33
CC1C[N@@H+]2CCN1C(C(=O)N1CCCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300028962888	0	51	0.0	-85.27	360.52	1.51	-83.76
CC1C[N@H+]2CCN1C(C(=O)N1CCCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300028962888	1	51	0.0	-80.81	362.15	1.58	-79.23
CCCC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028962890	0	50	0.0	-73.46	361.97	4.95	-68.51
C[NH+](C)C(C)(C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028962896	0	47	0.0	-72.78	318.33	3.54	-69.24
CC[NH+](CC)CCSCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028962945	0	54	0.0	-77.05	416.70	6.59	-70.46
C[N@@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028962957	0	48	0.0	-75.46	344.51	4.15	-71.31
C[N@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028962957	1	48	0.0	-46.17	352.34	4.42	-41.75
C[N@H+]1CC=C(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028963019	0	49	0.0	-73.22	373.83	5.57	-67.65
C[N@@H+]1CC=C(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028963019	1	49	0.0	-71.41	373.78	5.57	-65.84
O=C(CC1([NH+]2CCCC2)CC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028963032	0	52	0.0	-69.47	376.49	5.58	-63.89
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2(C[NH+]3CCCC3)CCCC2)CC1	REAL300028963059	0	58	0.0	-35.29	384.74	5.49	-29.80
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028963099	0	57	0.0	-69.90	381.68	4.94	-64.96
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028963099	1	57	0.0	-69.90	381.68	4.94	-64.96
CN(C)CC1=CC=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028963104	0	48	0.0	-83.58	370.04	4.67	-78.91
C[NH+](C)CC1=CC=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028963104	1	48	0.0	-83.58	370.04	4.67	-78.91
O=C(C=CC[NH+]1CCCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028963131	0	49	0.0	-78.16	375.90	5.65	-72.51
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1	REAL300028963163	0	52	0.0	-48.39	379.31	5.59	-42.80
C[N@@H+]1CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(C(F)(F)F)C1	REAL300028963188	0	48	0.0	-66.56	358.55	4.01	-62.55
C[N@H+]1CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(C(F)(F)F)C1	REAL300028963188	1	48	0.0	-66.56	358.55	4.01	-62.55
O=C(CC[NH+]1CCCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028963194	0	48	0.0	-52.39	360.37	4.62	-47.77
CN1CC(N2CC(C(=O)N3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2=O)C1	REAL300028963205	0	53	0.0	-69.04	400.00	3.54	-65.50
C[NH+]1CC(N2CC(C(=O)N3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2=O)C1	REAL300028963205	1	53	0.0	-69.04	400.00	3.54	-65.50
C[N@@H+]1CC2CC1(C(=O)N1CCCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300028963267	0	46	0.0	-63.06	334.30	3.81	-59.25
CC1=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C=NN1CC[NH+](C)C	REAL300028963283	0	54	0.0	-83.95	408.70	4.43	-79.52
O=C(C[N@@H+]1CC2CCC1C2)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028963286	0	49	0.0	-74.16	361.09	5.31	-68.85
O=C(C[N@H+]1CC2CCC1C2)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028963286	1	49	0.0	-74.16	361.09	5.31	-68.85
CC(C)[NH+]1CCC(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028963303	0	57	0.0	-66.66	409.58	6.46	-60.20
O=C(C=C1C[NH+]2CCC1CC2)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028963358	0	50	0.0	-66.71	367.12	5.28	-61.43
O=C(CN1CC2C=CC1C2)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028963371	0	47	0.0	-48.30	351.15	4.71	-43.59
O=C(C[N@@H+]1CC2C=CC1C2)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028963371	1	47	0.0	-64.59	351.58	4.78	-59.81
O=C(C[N@H+]1CC2C=CC1C2)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028963371	1	47	0.0	-64.59	351.58	4.78	-59.81
C[NH+](C)CC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CC=C1	REAL300028963414	0	54	0.0	-76.63	407.75	7.03	-69.60
CC(C[NH+](C)C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028963448	0	47	0.0	-70.15	343.89	4.16	-65.99
C[N@@H+]1CCCCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028963560	0	51	0.0	-73.20	371.56	5.17	-68.03
C[N@H+]1CCCCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028963560	1	51	0.0	-73.20	371.56	5.17	-68.03
CC1=C2C=C(C(=O)N3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=N1	REAL300028963583	0	46	0.0	-56.56	369.62	6.83	-49.73
CC1=C2C=C(C(=O)N3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300028963583	1	46	0.0	-56.56	369.62	6.83	-49.73
CC1CCN1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028963588	0	45	0.0	-68.32	337.80	3.69	-64.63
CC1CC[N@@H+]1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028963588	1	45	0.0	-73.63	340.41	4.03	-69.60
CC1CC[N@H+]1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028963588	1	45	0.0	-73.63	340.41	4.03	-69.60
C[NH+](C)CC(O)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028963593	0	48	0.0	-80.90	367.37	2.24	-78.66
CC1CN(C)CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028963634	0	49	0.0	-84.56	370.24	4.30	-80.26
CC1C[N@H+](C)CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028963634	1	49	0.0	-62.32	357.76	3.76	-58.56
CC1C[N@@H+](C)CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028963634	1	49	0.0	-62.32	357.76	3.76	-58.56
O=C(CC[NH+]1CCC(O)CC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028963648	0	52	0.0	-81.24	389.72	2.33	-78.91
CCC[N@@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028963651	0	54	0.0	-72.66	385.41	5.87	-66.79
CCC[N@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028963651	1	54	0.0	-72.66	385.41	5.87	-66.79
CC[NH+]1CCN(CCC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028963655	0	56	0.0	-53.37	410.65	3.57	-49.80
CCN1CC[NH+](CCC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028963655	1	56	0.0	-53.37	410.65	3.57	-49.80
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1	REAL300028963658	0	55	0.0	-67.06	385.53	6.55	-60.51
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1	REAL300028963658	1	55	0.0	-67.06	385.53	6.55	-60.51
CC(C)C[NH+]1CCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028963712	0	57	0.0	-78.92	407.44	6.57	-72.35
C[NH+](C)C1CCN(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028963745	0	56	0.0	-73.22	404.37	3.54	-69.68
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028963770	0	48	0.0	-67.52	354.46	4.44	-63.08
CC(CC[NH+](C)C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028963780	0	50	0.0	-76.19	366.70	4.74	-71.45
C[N@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CCC[C@H]1O	REAL300028963818	0	52	0.0	-68.05	382.22	2.12	-65.93
C#CCN1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028963828	0	50	0.0	-71.22	379.87	5.96	-65.26
C#CC[N@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028963828	1	50	0.0	-74.84	370.17	5.38	-69.46
C#CC[N@@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028963828	1	50	0.0	-74.84	370.17	5.38	-69.46
CN1CCN(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028963836	0	50	0.0	-70.33	371.11	2.37	-67.96
C[NH+]1CCN(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028963836	1	50	0.0	-70.33	371.11	2.37	-67.96
CC[NH+]1CCN(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028963849	0	53	0.0	-69.61	388.35	3.01	-66.60
NC(=[NH2+])SCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028963882	0	39	0.0	-77.83	322.59	0.24	-77.59
CC[N@@H+]1CCOCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028963936	0	52	0.0	-80.23	382.85	3.75	-76.48
C[NH+](C)CCC1(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCCC1	REAL300028963958	0	57	0.0	-47.80	405.97	5.92	-41.88
CC1CCCC(C)[NH+]1CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028963960	0	57	0.0	-72.93	407.78	6.36	-66.57
C[NH+](C)C1CCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028963963	0	54	0.0	-48.91	376.92	5.21	-43.70
C[NH+](C)CCC1(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028963964	0	51	0.0	-41.51	383.04	5.15	-36.36
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028963968	0	54	0.0	-48.84	376.92	5.19	-43.65
C[N@@H+]1CC=CCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028963969	0	49	0.0	-70.02	360.80	5.26	-64.76
C[N@H+]1CC=CCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028963969	1	49	0.0	-70.02	360.80	5.26	-64.76
C[C@@H](OCC[NH+](C)C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028964006	0	51	0.0	-60.56	384.29	4.49	-56.07
C[NH+]1C2CCC1CC(C(=O)N1CCCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300028964050	0	52	0.0	-74.87	369.33	5.21	-69.66
C[NH+]1CCC(O)(C2(C(=O)N3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300028964178	0	56	0.0	-73.79	397.46	3.49	-70.30
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2(CC[NH+]3CCCCC3)CC2)CC1	REAL300028964207	0	58	0.0	-57.14	417.01	6.90	-50.24
CC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCSCC1	REAL300028964233	1	49	0.0	-76.26	369.13	5.05	-71.21
CCC1C[NH+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028964236	0	48	0.0	-70.85	364.69	4.72	-66.13
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1	REAL300028964238	0	53	0.0	-78.92	392.57	3.75	-75.17
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2([NH+]3CCCC3)CCC2)CC1	REAL300028964240	0	52	0.0	-80.24	370.91	5.55	-74.69
C[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028964252	1	45	0.0	-73.42	333.53	3.74	-69.68
O=C(CC[N@@H+]1CCC(F)C1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028964262	1	48	0.0	-82.96	369.29	5.06	-77.90
COC1C[N@@H+](C)C(C)(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028964273	1	52	0.0	-70.07	371.90	3.39	-66.68
O=C(CC[NH+]1CCCCCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028964287	0	54	0.0	-78.30	389.12	6.24	-72.06
O=C(C[NH+]1CCCCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028964291	0	48	0.0	-76.11	356.35	5.08	-71.03
CC1C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300028964301	0	48	0.0	-66.88	354.40	4.47	-62.41
CC1C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300028964301	1	48	0.0	-68.63	356.97	4.21	-64.42
C[N@@H+]1CCCCC1CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028964304	0	54	0.0	-74.00	395.97	6.18	-67.82
C[N@H+]1CCCCC1CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028964304	1	54	0.0	-74.27	395.57	6.16	-68.11
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC[N@@H+]3CCOCC23)CC1	REAL300028964349	0	50	0.0	-69.86	360.83	2.98	-66.88
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC[N@H+]3CCOCC23)CC1	REAL300028964349	1	50	0.0	-59.54	361.49	3.24	-56.30
CC1=[NH+]C=C2C=CC(C(=O)N3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3)=CN21	REAL300028964358	0	46	0.0	-75.99	367.21	5.92	-70.07
CN1CCOCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028964381	0	49	0.0	-72.60	357.72	2.92	-69.68
C[N@@H+]1CCOCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028964381	1	49	0.0	-55.31	363.38	2.79	-52.52
C[N@H+]1CCOCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028964381	1	49	0.0	-72.60	357.72	2.92	-69.68
CC1=C(C)[NH+]=C(CCC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300028964395	1	49	0.0	-70.70	384.91	4.54	-66.16
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300028964408	0	54	0.0	-64.76	410.77	6.82	-57.94
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCN2CC2=CC=CC=C2)CC1	REAL300028964413	0	52	0.0	-73.00	401.89	6.78	-66.22
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300028964413	1	52	0.0	-74.63	398.53	6.68	-67.95
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC[N@H+]2CC2=CC=CC=C2)CC1	REAL300028964413	1	52	0.0	-73.00	401.89	6.78	-66.22
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028964417	0	57	0.0	-54.97	409.55	6.35	-48.62
CC(C)C[N@H+]1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028964417	1	57	0.0	-59.76	403.23	6.58	-53.18
C[N@H+]1CCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028964576	1	45	0.0	-57.25	331.07	3.39	-53.86
CN1CCOC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028964601	0	46	0.0	-76.03	335.86	3.18	-72.85
C[N@@H+]1CCOC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028964601	1	46	0.0	-79.04	338.57	2.96	-76.08
C[N@H+]1CCOC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028964601	1	46	0.0	-76.03	335.86	3.18	-72.85
CC1=[NH+]C=CN1CCCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028964774	1	49	0.0	-53.84	383.01	5.80	-48.04
O=C(CCCC[NH+]1CCOCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028964778	1	55	0.0	-79.28	412.93	4.85	-74.43
C[NH+](C)CC1=CC=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C=C1	REAL300028964784	0	51	0.0	-71.63	383.12	6.16	-65.47
O=C(CC[NH+]1CCOCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028964785	1	49	0.0	-81.02	369.95	3.26	-77.76
C[NH+](C)C(C)(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CC=C1	REAL300028964807	0	54	0.0	-72.70	367.96	5.92	-66.78
CCC[NH+](CCC)CCCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028964815	0	59	0.0	-76.87	432.87	7.19	-69.68
CC[N@@H+](C)C(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CC=C1	REAL300028964816	1	54	0.0	-43.92	399.91	6.78	-37.14
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1	REAL300028964837	0	49	0.0	-51.28	345.95	4.01	-47.27
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC1	REAL300028964857	1	43	0.0	-59.78	347.70	6.27	-53.51
C[NH+](C)C1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028964947	0	54	0.0	-74.74	388.90	5.84	-68.90
C[N@@H+]1CCC(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028964954	0	48	0.0	-78.30	360.96	4.86	-73.44
C[N@H+]1CCC(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028964954	1	48	0.0	-77.12	361.04	4.86	-72.26
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028964968	0	47	0.0	-71.22	360.18	2.26	-68.96
CCC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028964974	0	47	0.0	-73.01	340.84	4.19	-68.82
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)CC1	REAL300028964984	1	46	0.0	-85.53	366.14	4.74	-80.79
CC1CC2CCC(C(=O)N3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3)C[N@@H+]2C1	REAL300028965041	0	55	0.0	-59.94	396.61	5.92	-54.02
CC1CC2CCC(C(=O)N3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3)C[N@H+]2C1	REAL300028965041	1	55	0.0	-66.12	394.95	5.98	-60.14
C[NH+](C)CCCCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028965081	0	50	0.0	-77.05	380.03	5.39	-71.66
CC(C)C(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028965108	0	50	0.0	-70.49	351.01	4.45	-66.04
CCC[N@H+](C)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028965110	0	50	0.0	-78.76	376.23	5.22	-73.54
CCC[N@@H+](C)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028965110	1	50	0.0	-78.82	376.27	5.20	-73.62
CCC[N@H+](C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028965117	0	47	0.0	-51.08	351.26	4.25	-46.83
CCC[N@@H+](C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028965117	1	47	0.0	-76.64	353.85	4.62	-72.02
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C23CC[N@H+](C2)CCC3)CC1	REAL300028965150	0	49	0.0	-67.49	342.96	3.67	-63.82
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1	REAL300028965150	1	49	0.0	-71.02	342.42	3.54	-67.48
CCCCCC[N@H+](C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028965206	0	56	0.0	-77.98	418.36	6.97	-71.01
CCCCCC[N@@H+](C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028965206	1	56	0.0	-52.11	415.76	6.60	-45.51
CC[NH+](CC)C(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(C)C	REAL300028965218	0	56	0.0	-67.29	382.71	5.72	-61.57
CC1CC[NH+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028965266	0	51	0.0	-76.93	377.26	5.70	-71.23
O=C(C1=CN(C2=CC=[NH+]C=C2)N=C1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028965300	1	46	0.0	-69.83	368.09	3.94	-65.89
C[NH+]1CCC(OCC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028965310	0	52	0.0	-62.34	391.96	5.02	-57.32
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC1	REAL300028965386	0	52	0.0	-66.12	377.04	5.72	-60.40
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC3CCCC[N@H+]3C2)CC1	REAL300028965386	1	52	0.0	-73.83	378.75	5.77	-68.06
C[NH+](C)CC1(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028965407	0	48	0.0	-40.48	355.22	4.26	-36.22
CC1=[NH+]C=C2CCC(C(=O)N3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3)CN21	REAL300028965408	1	50	0.0	-51.68	373.27	5.21	-46.47
CC(C)[NH+]1CCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028965421	0	54	0.0	-48.93	384.31	5.37	-43.56
CC[N@H+](C)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028965461	0	47	0.0	-77.94	354.77	4.47	-73.47
CC[N@@H+](C)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028965461	1	47	0.0	-78.07	354.77	4.46	-73.61
CC(C)(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCCC1	REAL300028965504	0	54	0.0	-66.72	359.61	5.14	-61.58
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)CC1	REAL300028965507	0	58	0.0	-75.94	410.06	6.76	-69.18
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)CC1	REAL300028965507	1	58	0.0	-77.62	409.91	6.71	-70.91
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2C[NH+]3CCC2CC3)CC1	REAL300028965525	0	49	0.0	-41.24	347.89	4.31	-36.93
C[NH+]1CCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028965630	0	48	0.0	-79.48	353.94	4.66	-74.82
CC(C)[C@H](C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028965653	0	50	0.0	-77.84	351.11	4.18	-73.66
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1	REAL300028965761	0	55	0.0	-79.77	404.93	6.87	-72.90
CC[NH+](CC)CC(F)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028965815	0	50	0.0	-67.77	375.06	5.10	-62.67
C[NH+](C)CC1=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)SC=C1	REAL300028965816	0	48	0.0	-68.69	378.11	5.82	-62.87
CC(C)C[N@@H+]1CCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028965866	0	54	0.0	-55.08	393.67	5.66	-49.42
CC(C)C[N@H+]1CCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028965866	1	54	0.0	-63.36	395.10	5.74	-57.62
C[NH+](C)C1(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300028965870	0	48	0.0	-60.86	335.40	3.87	-56.99
CCC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](CC)CC	REAL300028965912	0	53	0.0	-67.91	373.58	5.35	-62.56
CC1CCC[N@@H+]1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028965945	0	48	0.0	-72.42	353.32	4.59	-67.83
CC1CCC[N@H+]1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028965945	1	48	0.0	-67.03	350.71	4.25	-62.78
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028966058	1	52	0.0	-69.21	400.13	6.42	-62.79
CC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCCCC1	REAL300028966066	0	54	0.0	-71.02	379.10	5.49	-65.53
CC(C)[N@@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028966069	0	54	0.0	-53.19	381.42	5.19	-48.00
CC(C)[N@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028966069	1	54	0.0	-61.74	372.13	4.88	-56.86
CC(C)[N@@H+]1CCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028966105	0	51	0.0	-71.50	352.73	4.49	-67.01
CC(C)[N@H+]1CCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028966105	1	51	0.0	-65.25	347.41	4.74	-60.51
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCC[N@@H+]2C2CCOCC2)CC1	REAL300028966114	0	56	0.0	-56.48	395.95	4.69	-51.79
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCC[N@H+]2C2CCOCC2)CC1	REAL300028966114	1	56	0.0	-50.98	394.96	4.04	-46.94
C[NH+](C)C(CN1C=CC=N1)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028966116	1	51	0.0	-62.70	381.04	3.97	-58.73
CC(C)[N@@H+]1CCCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028966123	0	54	0.0	-67.75	382.19	5.35	-62.40
CC(C)[N@H+]1CCCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028966123	1	54	0.0	-53.86	383.33	5.17	-48.69
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCC[N@@H+]2C2CCCC2)CC1	REAL300028966124	0	55	0.0	-64.56	368.83	5.26	-59.30
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCC[N@H+]2C2CCCC2)CC1	REAL300028966124	1	55	0.0	-72.10	374.71	5.57	-66.53
CC(C)[C@@H](C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028966154	0	50	0.0	-63.06	353.05	4.28	-58.78
CC1CC[N@H+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028966192	0	48	0.0	-75.76	360.65	4.96	-70.80
CC1CC[N@@H+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028966192	1	48	0.0	-75.79	360.02	4.95	-70.84
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028966193	0	54	0.0	-68.65	389.32	5.30	-63.35
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028966193	1	54	0.0	-61.62	390.10	5.06	-56.56
CC1=[NH+]C=C2CC(C(=O)N3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3)CCN21	REAL300028966195	1	50	0.0	-76.84	375.74	5.37	-71.47
C[NH+](C)CCC1=CC=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C=C1	REAL300028966197	0	54	0.0	-69.02	410.76	6.83	-62.19
CC1(C)CC[N@H+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028966199	0	51	0.0	-68.45	376.93	5.10	-63.35
CC1(C)CC[N@@H+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028966199	1	51	0.0	-49.50	376.92	5.08	-44.42
C[N@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300028966200	0	53	0.0	-50.26	379.38	5.24	-45.02
C[N@@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300028966200	1	53	0.0	-50.61	382.49	5.42	-45.19
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028966201	0	54	0.0	-55.81	411.17	7.28	-48.53
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028966201	1	54	0.0	-55.17	411.18	7.27	-47.90
CC[C@@H](C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028966213	0	47	0.0	-63.07	337.30	3.68	-59.39
CC(COCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCC1	REAL300028966221	0	55	0.0	-72.32	413.32	6.04	-66.28
C[N@@H+]1C[C@H](C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)[C@@H](C2=CC=CC=C2)C1	REAL300028966235	0	55	0.0	-81.55	413.60	7.03	-74.52
C[N@H+]1C[C@H](C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)[C@@H](C2=CC=CC=C2)C1	REAL300028966235	1	55	0.0	-82.75	414.19	7.04	-75.71
CN(CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=[NH+]C=C1	REAL300028966408	0	50	0.0	-46.60	386.77	4.56	-42.04
CC1=[NH+]C=CN1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028966550	1	43	0.0	-72.11	343.03	4.79	-67.32
CC(C[NH+]1CCOCC1)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028966552	0	52	0.0	-79.18	385.56	3.81	-75.37
O=C(CCC[NH+]1CCCCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028966575	0	54	0.0	-76.46	400.13	6.50	-69.96
C[NH+](C)CC1=CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=NO1	REAL300028966601	1	47	0.0	-79.36	365.50	4.26	-75.10
CC1=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C=CC2=C[NH+]=CN21	REAL300028966603	0	46	0.0	-80.55	363.47	6.51	-74.04
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028966667	1	49	0.0	-70.29	380.39	5.95	-64.34
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCCC3CCC[N@@H+]32)CC1	REAL300028966732	0	52	0.0	-57.36	373.62	5.48	-51.88
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCCC3CCC[N@H+]32)CC1	REAL300028966732	1	52	0.0	-68.12	374.28	5.77	-62.35
CC[N@@H+]1CCOC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028966781	1	49	0.0	-62.32	360.93	3.67	-58.65
CC[N@H+]1CCOC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028966781	1	49	0.0	-77.35	363.82	3.79	-73.56
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC1	REAL300028966875	0	43	0.0	-77.63	346.66	6.18	-71.45
CC1=C[NH+]=CN1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028966880	1	43	0.0	-57.45	341.80	5.18	-52.27
C[NH+](C)CCN1C=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C=N1	REAL300028966886	0	51	0.0	-72.50	393.19	4.02	-68.48
C[NH+](C)CCN1C=CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300028966903	0	51	0.0	-97.59	391.94	4.77	-92.82
C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300028966911	0	48	0.0	-60.48	347.99	3.83	-56.65
C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300028966911	1	48	0.0	-69.63	350.33	4.13	-65.50
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028966915	1	52	0.0	-69.62	400.58	6.47	-63.15
CC[C@@H]1[C@@H](C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300028966918	0	51	0.0	-76.51	366.77	4.72	-71.79
CC[C@@H]1[C@@H](C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300028966918	1	51	0.0	-68.65	372.55	4.96	-63.69
CC1CCC(C)[NH+]1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028966950	0	51	0.0	-72.33	372.57	5.28	-67.05
O=C(CCC[NH+]1CCCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028966961	0	51	0.0	-76.05	383.99	5.78	-70.27
C[NH+](C)CC1=CC=CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300028966962	0	51	0.0	-77.01	382.58	5.85	-71.16
C#CC[NH+]1CCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028966973	0	50	0.0	-55.71	375.18	5.38	-50.33
O=C(CC[NH+]1CCCCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028966975	0	51	0.0	-52.45	376.04	5.33	-47.12
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028966980	0	51	0.0	-56.66	384.60	6.17	-50.49
CC[N@@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028966992	0	51	0.0	-56.19	369.44	5.00	-51.19
CC[N@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028966992	1	51	0.0	-57.77	371.70	5.11	-52.66
CC(C)C(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCCC1	REAL300028966993	0	57	0.0	-67.96	397.11	6.39	-61.57
C[NH+](C)C(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CC=C1	REAL300028966997	1	51	0.0	-71.71	383.91	6.41	-65.30
O=C(CN1C=[NH+]C2=C1CCCC2)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028967007	1	50	0.0	-56.94	383.62	6.91	-50.03
C[NH+](C)CC1(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCCCC1	REAL300028967056	0	57	0.0	-50.26	378.30	5.06	-45.20
C[NH+](C)CCC1=CC=CC=C1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028967057	0	54	0.0	-53.17	408.38	6.87	-46.30
C[N@H+](CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCCCC1	REAL300028967064	0	57	0.0	-78.89	413.08	6.85	-72.04
C[N@@H+](CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCCCC1	REAL300028967064	1	57	0.0	-78.95	413.09	6.84	-72.11
C[NH+](C)C1(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCCC1	REAL300028967068	0	54	0.0	-75.24	375.93	5.35	-69.89
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=NN1	REAL300028967085	1	52	0.0	-71.83	386.62	4.13	-67.70
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=NN1	REAL300028967085	1	52	0.0	-79.94	386.44	3.77	-76.17
C[N@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300028967360	0	48	0.0	-49.37	358.25	4.82	-44.55
C[N@@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300028967360	1	48	0.0	-74.28	360.75	5.18	-69.10
CC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1C(C)CCC1C	REAL300028967402	0	54	0.0	-68.81	381.23	5.47	-63.34
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028967419	0	54	0.0	-80.79	406.35	6.15	-74.64
O=C(CCCC[NH+]1CCCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028967424	0	54	0.0	-75.66	406.00	6.57	-69.09
C[N@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)CC1=CC=CC=C1	REAL300028967427	1	51	0.0	-81.52	391.29	6.80	-74.72
C[N@@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)CC1=CC=CC=C1	REAL300028967427	1	51	0.0	-81.45	391.34	6.80	-74.65
C[NH+]1CCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028967445	0	48	0.0	-79.48	353.94	4.66	-74.82
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028967531	0	45	0.0	-46.35	332.34	3.41	-42.94
C[N@H+]1CCC[C@@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028967531	1	45	0.0	-49.69	333.01	3.58	-46.11
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028967554	1	47	0.0	-71.36	358.98	4.93	-66.43
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028967554	1	47	0.0	-52.87	360.27	4.90	-47.97
C[N@@H+]1CCCC1CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028967566	0	51	0.0	-79.04	378.18	5.62	-73.42
C[N@H+]1CCCC1CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028967566	1	51	0.0	-70.71	372.57	4.90	-65.81
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1	REAL300028967583	0	52	0.0	-61.15	359.63	4.54	-56.61
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCC3CCCC[N@@H+]32)CC1	REAL300028967591	0	52	0.0	-63.26	371.76	5.59	-57.67
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCC3CCCC[N@H+]32)CC1	REAL300028967591	1	52	0.0	-45.72	371.56	5.34	-40.38
CCC[N@@H+]1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028967709	0	54	0.0	-75.99	396.54	6.11	-69.88
CCC[N@H+]1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028967709	1	54	0.0	-75.11	393.18	6.02	-69.09
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)CC1	REAL300028967722	0	58	0.0	-69.76	404.95	6.89	-62.87
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCCC[N@H+]2C2CCCC2)CC1	REAL300028967722	1	58	0.0	-67.55	405.84	6.86	-60.69
CC(C)[N@@H+]1CCOC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028967735	1	52	0.0	-66.68	376.38	4.15	-62.53
CC(C)[N@H+]1CCOC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028967735	1	52	0.0	-78.17	371.04	4.09	-74.08
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028967759	0	55	0.0	-75.28	385.57	3.78	-71.50
C[N@@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028967782	0	48	0.0	-75.46	344.51	4.15	-71.31
C[N@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028967782	1	48	0.0	-46.17	352.34	4.42	-41.75
CC(C)C[N@@H+]1CCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028967820	0	54	0.0	-71.13	390.53	6.00	-65.13
CC(C)C[N@H+]1CCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028967820	1	54	0.0	-63.46	387.93	5.47	-57.99
O=C(C[NH+]1CCC(CO)CC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028967843	0	52	0.0	-78.28	387.37	2.37	-75.91
C[NH+]1C2CCC1CC(=CC(=O)N1CCCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300028967892	0	53	0.0	-73.69	383.62	5.78	-67.91
CC1C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300028967914	0	48	0.0	-66.88	354.40	4.47	-62.41
CC1C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300028967914	1	48	0.0	-68.63	356.97	4.21	-64.42
C[N@@H+]1CCCCC1CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028967918	0	54	0.0	-74.00	395.97	6.18	-67.82
C[N@H+]1CCCCC1CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028967918	1	54	0.0	-74.27	395.57	6.16	-68.11
NC1=[NH+]C2=C(C=C1C(=O)N1CCCN(C(=O)C3=CC(=O)[N-]O3)CC1)CCC2	REAL300028967965	1	48	0.0	-60.49	369.87	3.65	-56.84
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028968063	0	51	0.0	-72.06	356.51	4.20	-67.86
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028968063	1	51	0.0	-66.42	368.71	4.41	-62.01
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCN(C3=CC=[NH+]C=C3)C2)CC1	REAL300028968085	0	51	0.0	-64.29	387.16	3.26	-61.03
C[C@@H](C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028968091	0	44	0.0	-66.67	325.84	3.18	-63.49
C[NH+](C)CC1=CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC=N1	REAL300028968114	1	50	0.0	-52.28	384.11	4.13	-48.15
C=CCC(C)(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028968120	0	51	0.0	-66.58	353.11	4.50	-62.08
CC[NH+](CC)CCSCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028968159	0	54	0.0	-77.05	416.70	6.59	-70.46
NC1=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C=[NH+]C2=CC=CC=C21	REAL300028968160	1	47	0.0	-68.31	367.64	3.06	-65.25
O=C(CC[NH+]1CCCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028968165	0	48	0.0	-52.39	360.37	4.62	-47.77
C[N@H+](CCO)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028968175	1	45	0.0	-76.96	342.71	0.63	-76.33
C[N@@H+](CCO)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028968175	1	45	0.0	-49.44	340.37	0.29	-49.15
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2C[N@@H+]3CCN2CCC3)CC1	REAL300028968226	0	51	0.0	-85.54	356.97	2.02	-83.52
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2C[N@H+]3CCN2CCC3)CC1	REAL300028968226	1	51	0.0	-88.15	353.19	2.14	-86.01
CC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCSCC1	REAL300028968274	1	49	0.0	-76.26	369.13	5.05	-71.21
C[N@H+]1CC=C(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028968335	0	49	0.0	-73.22	373.83	5.57	-67.65
C[N@@H+]1CC=C(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028968335	1	49	0.0	-71.41	373.78	5.57	-65.84
C[NH+]1CC(N2CC(C(=O)N3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2=O)C1	REAL300028968349	1	53	0.0	-69.04	400.00	3.54	-65.50
C[S+](C)CCC(O)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028968357	0	47	0.0	-77.76	375.19	2.70	-75.06
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028968391	0	49	0.0	-72.54	352.00	0.58	-71.96
C[N@H+]1CC(O)CC1(C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028968391	1	49	0.0	-71.01	346.77	-0.02	-71.03
CN1CC[N@H+](C)CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028968410	0	53	0.0	-70.95	379.22	2.92	-68.03
CN1CC[N@@H+](C)CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028968410	1	53	0.0	-74.85	379.97	2.55	-72.30
CC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[N@@H+]1CCCC(O)C1	REAL300028968411	0	52	0.0	-66.02	377.20	1.86	-64.16
CC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[N@H+]1CCCC(O)C1	REAL300028968411	1	52	0.0	-55.95	378.73	1.86	-54.09
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028968449	0	48	0.0	-39.44	373.42	3.59	-35.85
C[N@@H+]1CCCC(O)(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028968459	0	52	0.0	-71.33	375.29	3.42	-67.91
C[N@H+]1CCCC(O)(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028968459	1	52	0.0	-51.52	383.46	3.28	-48.24
CC1C[NH+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028968466	1	45	0.0	-69.90	342.15	4.02	-65.88
CC[N@@H+]1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028968475	0	51	0.0	-75.26	375.03	5.37	-69.89
CC[N@H+]1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028968475	1	51	0.0	-74.49	372.07	5.28	-69.21
NC1=[NH+]C=CC=C1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028968492	0	44	0.0	-71.38	348.87	3.05	-68.33
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1	REAL300028968508	0	49	0.0	-73.40	363.89	5.11	-68.29
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCC[N@H+]2C2CC2)CC1	REAL300028968508	1	49	0.0	-62.83	363.90	5.30	-57.53
CC1C[N@@H+](C2CCC2C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCO1	REAL300028968545	0	56	0.0	-76.35	417.12	5.05	-71.30
CC1C[N@H+](C2CCC2C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCO1	REAL300028968545	1	56	0.0	-76.38	416.86	5.05	-71.33
O=C(C1=CC=C(C[NH+]2CCCC2)O1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028968568	0	52	0.0	-88.54	398.12	5.92	-82.62
O=C(C=CC[NH+]1CCCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028968575	0	49	0.0	-78.16	375.90	5.65	-72.51
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1	REAL300028968610	0	52	0.0	-48.39	379.31	5.59	-42.80
CC[N@H+](C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028968673	0	44	0.0	-50.96	329.77	3.51	-47.45
O=C(CN1CC2C=CC1C2)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028968758	0	47	0.0	-48.30	351.15	4.71	-43.59
O=C(C[N@@H+]1CC2C=CC1C2)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028968758	1	47	0.0	-64.59	351.58	4.78	-59.81
O=C(C[N@H+]1CC2C=CC1C2)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028968758	1	47	0.0	-64.59	351.58	4.78	-59.81
CC1=CC=C(NCCC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)N=C1	REAL300028968785	0	50	0.0	-52.17	390.91	4.30	-47.87
CC1=CC=C(NCCC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)[NH+]=C1	REAL300028968785	1	50	0.0	-52.17	390.91	4.30	-47.87
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2(C[NH+]3CCCC3)CCCC2)CC1	REAL300028968845	0	58	0.0	-35.29	384.74	5.49	-29.80
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2C[NH+]3CCN2CC3)CC1	REAL300028968876	0	48	0.0	-40.83	343.25	0.85	-39.98
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C23CCC[N@@H+]2CCCC3)CC1	REAL300028968948	0	52	0.0	-68.57	357.95	4.82	-63.75
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C23CCC[N@H+]2CCCC3)CC1	REAL300028968948	1	52	0.0	-68.98	357.65	4.46	-64.52
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C23CCC[N@@H+]2CC=CC3)CC1	REAL300028968960	0	50	0.0	-68.03	351.24	4.71	-63.32
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C23CCC[N@H+]2CC=CC3)CC1	REAL300028968960	1	50	0.0	-66.47	345.27	4.17	-62.30
CC(OCC[NH+](C)C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028968976	0	51	0.0	-74.35	379.62	4.63	-69.72
C[NH+](C)CCOCCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028968990	0	51	0.0	-74.04	391.44	4.06	-69.98
COCC[N@H+](C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028968992	1	48	0.0	-48.64	362.63	2.69	-45.95
COCC[N@@H+](C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028968992	1	48	0.0	-77.31	364.96	3.03	-74.28
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2C[NH+](C3CCOC3)C2)CC1	REAL300028968995	0	50	0.0	-82.72	377.17	3.45	-79.27
CC(CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028969001	0	50	0.0	-79.35	367.70	5.01	-74.34
C[NH+]1CCC(=CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028969032	0	49	0.0	-71.08	364.92	5.18	-65.90
CC[N@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300028969047	0	48	0.0	-72.26	363.26	5.25	-67.01
CC[N@@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300028969047	1	48	0.0	-73.19	360.82	5.24	-67.95
C[NH+](C)C1(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCCSC1	REAL300028969052	0	52	0.0	-40.49	366.18	5.03	-35.46
CC1C[N@@H+]2CCN1C(C(=O)N1CCCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300028969068	0	51	0.0	-85.27	360.52	1.51	-83.76
CC1C[N@H+]2CCN1C(C(=O)N1CCCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300028969068	1	51	0.0	-80.81	362.15	1.58	-79.23
C[N@@H+]1CC2CC1(C(=O)N1CCCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300028969111	0	46	0.0	-80.35	328.31	3.87	-76.48
C[N@H+]1CC2CC1(C(=O)N1CCCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300028969111	1	46	0.0	-63.06	334.30	3.81	-59.25
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028969125	1	48	0.0	-73.63	378.58	3.91	-69.72
CC1=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C=NN1CC[NH+](C)C	REAL300028969132	0	54	0.0	-83.95	408.70	4.43	-79.52
O=C(C[N@@H+]1CC2CCC1C2)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028969135	0	49	0.0	-68.63	358.94	4.98	-63.65
O=C(C[N@H+]1CC2CCC1C2)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028969135	1	49	0.0	-74.16	361.09	5.31	-68.85
CC(C)[NH+]1CCC(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028969156	0	57	0.0	-66.66	409.58	6.46	-60.20
CC(C[NH+](C)C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028969173	0	47	0.0	-70.15	343.89	4.16	-65.99
C[N@@H+]1CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(C(F)(F)F)C1	REAL300028969192	0	48	0.0	-80.82	366.42	4.18	-76.64
C[N@H+]1CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(C(F)(F)F)C1	REAL300028969192	1	48	0.0	-66.56	358.55	4.01	-62.55
C[NH+](C)C1(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028969196	0	45	0.0	-55.42	326.63	3.02	-52.40
C[C@H](C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028969230	0	44	0.0	-58.34	326.68	3.15	-55.19
CC[N@@H+]1CCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028969244	1	45	0.0	-73.24	337.67	3.89	-69.35
CC[N@H+]1CCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028969244	1	45	0.0	-70.85	338.74	3.65	-67.20
CC(C)[N@@H+]1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028969265	0	54	0.0	-61.01	387.35	5.45	-55.56
CC(C)[N@H+]1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028969265	1	54	0.0	-71.20	378.63	5.77	-65.43
CN1C=C[NH+]=C1N1CCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028969267	1	52	0.0	-56.54	390.06	5.15	-51.39
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028969296	0	53	0.0	-73.01	373.63	3.76	-69.25
C#CC[N@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028969361	1	50	0.0	-71.22	379.87	5.96	-65.26
C#CC[N@@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028969361	1	50	0.0	-74.84	370.17	5.38	-69.46
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028969365	1	47	0.0	-65.87	364.40	3.52	-62.35
NC1=CC=[NH+]C=C1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028969367	0	41	0.0	-75.93	324.86	0.93	-75.00
C[NH+](C)C(CC1=CC=CC=C1)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028969373	0	54	0.0	-78.67	389.62	6.83	-71.84
CCCC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028969384	0	50	0.0	-73.46	361.97	4.95	-68.51
C[NH+](C)C(C)(C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028969394	0	47	0.0	-72.78	318.33	3.54	-69.24
CC(CC[NH+](C)C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028969425	0	50	0.0	-76.19	366.70	4.74	-71.45
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1	REAL300028969498	0	55	0.0	-75.24	376.11	5.59	-69.65
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1	REAL300028969498	1	55	0.0	-67.06	385.53	6.55	-60.51
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC1	REAL300028969539	0	50	0.0	-70.29	370.80	5.57	-64.72
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CC1	REAL300028969539	1	50	0.0	-75.44	352.39	5.58	-69.86
COCCCC[N@H+](C)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028969596	0	57	0.0	-82.64	431.44	5.07	-77.57
COCCCC[N@@H+](C)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028969596	1	57	0.0	-82.83	431.40	5.06	-77.77
C[NH+](C)C12CCC(C(=O)N3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3)(CC1)CC2	REAL300028969602	0	58	0.0	-79.78	390.56	5.74	-74.04
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028969611	0	51	0.0	-57.89	376.96	4.82	-53.07
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028969611	1	51	0.0	-48.35	374.08	4.84	-43.51
C[NH+](C)CCCCCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028969617	0	53	0.0	-75.53	401.53	6.16	-69.37
O=C(CC[NH+]1CCC(O)CC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028969623	0	52	0.0	-81.24	389.72	2.33	-78.91
CCC[N@@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028969629	0	54	0.0	-72.95	383.69	5.54	-67.41
CCC[N@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028969629	1	54	0.0	-72.66	385.41	5.87	-66.79
CC[NH+]1CCN(CCC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028969639	0	56	0.0	-55.62	410.13	3.53	-52.09
CCN1CC[NH+](CCC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028969639	1	56	0.0	-53.37	410.65	3.57	-49.80
C[NH+]1CCN(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028969643	1	50	0.0	-70.33	371.11	2.37	-67.96
CC(C)C[NH+]1CCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028969801	0	57	0.0	-78.92	407.44	6.57	-72.35
CC1C[N@H+](C)CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028969805	1	49	0.0	-84.56	370.24	4.30	-80.26
CC1C[N@@H+](C)CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028969805	1	49	0.0	-62.32	357.76	3.76	-58.56
CCC1CCC[N@H+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028969851	0	54	0.0	-69.54	393.08	5.99	-63.55
CCC1CCC[N@@H+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028969851	1	54	0.0	-49.84	386.00	5.92	-43.92
C[NH+](C)CC1=CC=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300028969863	0	49	0.0	-83.34	370.70	4.64	-78.70
O=C(C[NH+]1CC2CC2C1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028969889	0	46	0.0	-76.57	349.96	5.09	-71.48
O=C(CC1([NH+]2CCCC2)CC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028969914	0	52	0.0	-69.47	376.49	5.58	-63.89
CC([NH2+]C1(CO)CCCC1)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028969940	0	55	0.0	-55.28	387.13	0.55	-54.73
C[N@@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028969981	0	48	0.0	-75.46	344.51	4.15	-71.31
C[N@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028969981	1	48	0.0	-46.17	352.34	4.42	-41.75
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300028969990	1	52	0.0	-74.63	398.53	6.68	-67.95
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC[N@H+]2CC2=CC=CC=C2)CC1	REAL300028969990	1	52	0.0	-73.00	401.89	6.78	-66.22
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028969997	0	57	0.0	-54.97	409.55	6.35	-48.62
CC(C)C[N@H+]1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028969997	1	57	0.0	-59.76	403.23	6.58	-53.18
C[NH+](C)C1CCN(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028970083	0	56	0.0	-73.22	404.37	3.54	-69.68
C[N@@H+]1CCC(=CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028970176	0	46	0.0	-78.22	352.43	4.77	-73.45
C[N@H+]1CCC(=CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028970176	1	46	0.0	-76.80	351.67	4.48	-72.32
O=C(CNC1=CC=[NH+]C=C1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028970184	0	44	0.0	-74.63	350.35	2.49	-72.14
CC[NH+]1CCN(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028970262	0	53	0.0	-69.61	388.35	3.01	-66.60
O=C(C=C1C[NH+]2CCC1CC2)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028970267	0	50	0.0	-66.71	367.12	5.28	-61.43
C[NH+](C)C1(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCCC1	REAL300028970327	0	51	0.0	-56.89	344.26	4.09	-52.80
C[N@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CCC[C@H]1O	REAL300028970344	0	52	0.0	-66.25	382.99	2.07	-64.18
C[N@@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CCC[C@H]1O	REAL300028970344	1	52	0.0	-68.05	382.22	2.12	-65.93
CCC1C[NH+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028970352	0	48	0.0	-70.85	364.69	4.72	-66.13
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1	REAL300028970356	0	53	0.0	-78.92	392.57	3.75	-75.17
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2([NH+]3CCCC3)CCC2)CC1	REAL300028970359	0	52	0.0	-80.24	370.91	5.55	-74.69
C[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028970377	0	45	0.0	-72.00	330.20	3.81	-68.19
C[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028970377	1	45	0.0	-73.42	333.53	3.74	-69.68
CC[N@@H+]1CCOCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028970422	0	52	0.0	-80.23	382.85	3.75	-76.48
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC(=O)NC3=C2CCC[NH2+]3)CC1	REAL300028970431	0	49	0.0	-101.57	378.95	2.22	-99.35
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2C[NH+](C3CCCCC3)C2)CC1	REAL300028970456	0	55	0.0	-77.70	402.23	6.45	-71.25
COC1C[N@@H+]2CCCC2(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028970478	0	53	0.0	-67.31	382.05	3.46	-63.85
COC1C[N@H+]2CCCC2(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028970478	1	53	0.0	-67.31	382.05	3.46	-63.85
NC1=NC2=CC(C(=O)N3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3)=CC=C2N1	REAL300028970562	0	45	0.0	-57.49	354.34	3.74	-53.75
NC1=[NH+]C2=CC(C(=O)N3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3)=CC=C2N1	REAL300028970562	1	45	0.0	-57.49	354.34	3.74	-53.75
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028970625	0	48	0.0	-67.52	354.46	4.44	-63.08
C[NH+](C)CCC1(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCCC1	REAL300028970641	0	57	0.0	-47.80	405.97	5.92	-41.88
CC1CCCC(C)[NH+]1CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028970643	0	57	0.0	-72.93	407.78	6.36	-66.57
C[NH+](C)C1CCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028970646	0	54	0.0	-48.91	376.92	5.21	-43.70
C[NH+](C)CCC1(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028970647	0	51	0.0	-41.51	383.04	5.15	-36.36
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028970652	0	54	0.0	-48.84	376.92	5.19	-43.65
C[N@@H+]1CC=CCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028970653	0	49	0.0	-52.26	363.94	5.03	-47.23
C[N@H+]1CC=CCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028970653	1	49	0.0	-70.02	360.80	5.26	-64.76
CC1=CC(C=CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C[NH+]=C1N	REAL300028970733	1	48	0.0	-82.75	375.88	3.83	-78.92
C[NH+](C)CCOCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028970750	0	48	0.0	-74.04	370.49	4.36	-69.68
CCCCC[N@H+](C)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028970758	0	56	0.0	-79.74	419.26	6.78	-72.96
CCCCC[N@@H+](C)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028970758	1	56	0.0	-79.83	419.23	6.77	-73.06
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028970775	0	52	0.0	-59.87	387.82	4.69	-55.18
[NH2+]=C1SC=CN1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028970812	0	41	0.0	-71.43	341.72	3.39	-68.04
C[C@@H](OCC[NH+](C)C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028970934	0	51	0.0	-60.56	384.29	4.49	-56.07
C[NH+]1CCC(O)(C2(C(=O)N3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300028970939	0	56	0.0	-73.79	397.46	3.49	-70.30
O=C(CC[NH+]1CCCCCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028971032	0	54	0.0	-78.30	389.12	6.24	-72.06
C[N@@H+]1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028971040	0	48	0.0	-71.88	352.15	4.26	-67.62
C[N@H+]1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028971040	1	48	0.0	-71.88	352.15	4.26	-67.62
O=C(C[NH+]1CCCCCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028971048	0	51	0.0	-75.66	365.60	5.25	-70.41
CN1C=C[N+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300028971055	0	43	0.0	-50.45	343.26	6.36	-44.09
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028971078	0	57	0.0	-69.90	381.68	4.94	-64.96
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028971078	1	57	0.0	-69.90	381.68	4.94	-64.96
CN(C)CC1=CC=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028971084	0	48	0.0	-83.58	370.04	4.67	-78.91
C[NH+](C)CC1=CC=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028971084	1	48	0.0	-83.58	370.04	4.67	-78.91
O=C(CN1CCC(O)CC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028971118	0	49	0.0	-80.44	367.48	1.73	-78.71
O=C(C[NH+]1CCC(O)CC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028971118	1	49	0.0	-80.44	367.48	1.73	-78.71
C[N@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300028971126	0	45	0.0	-66.82	341.51	4.27	-62.55
CC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)N1CCN(C)CC1	REAL300028971128	0	53	0.0	-67.07	379.16	2.41	-64.66
CC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)N1CC[NH+](C)CC1	REAL300028971128	1	53	0.0	-67.07	379.16	2.41	-64.66
O=C(CC[N@H+]1CCC(F)C1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028971136	0	48	0.0	-82.96	369.29	5.06	-77.90
COC1C[N@H+](C)C(C)(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028971155	0	52	0.0	-70.07	371.90	3.39	-66.68
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300028971178	0	54	0.0	-64.76	410.77	6.82	-57.94
CC(CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300028971185	0	50	0.0	-77.25	371.86	5.26	-71.99
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC[N@@H+]3CCOCC23)CC1	REAL300028971212	0	50	0.0	-59.54	361.49	3.24	-56.30
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC[N@H+]3CCOCC23)CC1	REAL300028971212	1	50	0.0	-59.54	361.49	3.24	-56.30
CN1CCOCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028971248	0	49	0.0	-55.31	363.38	2.79	-52.52
C[N@@H+]1CCOCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028971248	1	49	0.0	-72.60	357.72	2.92	-69.68
C[N@H+]1CCOCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028971248	1	49	0.0	-72.60	357.72	2.92	-69.68
C[NH+](C)CC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CC=C1	REAL300028971260	0	54	0.0	-76.63	407.75	7.03	-69.60
CC1=CC(N)=NC=C1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028971349	0	44	0.0	-78.55	345.88	2.23	-76.32
CC1=CC(N)=[NH+]C=C1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028971349	1	44	0.0	-78.55	345.88	2.23	-76.32
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2(CC[NH+]3CCCCC3)CC2)CC1	REAL300028971385	0	58	0.0	-57.14	417.01	6.90	-50.24
CC1(O)CC[N@H+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028971427	0	49	0.0	-76.74	371.17	1.63	-75.11
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028971438	0	51	0.0	-72.30	382.32	3.88	-68.42
C[NH+]1CC(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028971481	0	45	0.0	-58.20	343.47	3.72	-54.48
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC[N@@H+]2C2CCCC2)CC1	REAL300028971487	0	52	0.0	-72.62	380.89	5.54	-67.08
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC[N@H+]2C2CCCC2)CC1	REAL300028971487	1	52	0.0	-72.62	380.89	5.54	-67.08
C[N@H+](CCO)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028971547	0	48	0.0	-77.01	365.16	1.24	-75.77
C[N@@H+](CCO)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028971547	1	48	0.0	-77.01	365.16	1.24	-75.77
C[N@@H+]1CCCCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028971576	0	51	0.0	-73.20	371.56	5.17	-68.03
C[N@H+]1CCCCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028971576	1	51	0.0	-73.20	371.56	5.17	-68.03
CC1=C2C=C(C(=O)N3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=N1	REAL300028971611	0	46	0.0	-56.56	369.62	6.83	-49.73
CC1=C2C=C(C(=O)N3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300028971611	1	46	0.0	-56.56	369.62	6.83	-49.73
CC1CCN1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028971618	0	45	0.0	-68.32	337.80	3.69	-64.63
CC1CC[N@@H+]1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028971618	1	45	0.0	-73.63	340.41	4.03	-69.60
CC1CC[N@H+]1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028971618	1	45	0.0	-73.63	340.41	4.03	-69.60
C[NH+](C)CC=CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028971639	0	45	0.0	-79.36	350.82	4.48	-74.88
CC1(C)CN(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028971657	0	48	0.0	-70.42	362.50	4.44	-65.98
CC1(C)C[NH+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028971657	1	48	0.0	-70.42	362.50	4.44	-65.98
O=C(CCCC[NH+]1CCCCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028971672	0	57	0.0	-75.81	421.63	7.28	-68.53
CC1=C(C)NC(CCC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300028971689	0	49	0.0	-70.70	384.91	4.54	-66.16
CC1=C(C)[NH+]=C(CCC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300028971689	1	49	0.0	-70.70	384.91	4.54	-66.16
CN1CCC2=C(C1)SC(C(=O)N1CCCN(C(=O)C3=CC(=O)[N-]O3)CC1)=C2	REAL300028971690	0	49	0.0	-91.37	377.61	5.38	-85.99
C[N@@H+]1CCC2=C(C1)SC(C(=O)N1CCCN(C(=O)C3=CC(=O)[N-]O3)CC1)=C2	REAL300028971690	1	49	0.0	-70.34	378.31	5.58	-64.76
C[N@H+]1CCC2=C(C1)SC(C(=O)N1CCCN(C(=O)C3=CC(=O)[N-]O3)CC1)=C2	REAL300028971690	1	49	0.0	-70.34	378.31	5.58	-64.76
C[NH+]1CCC(C2(C(=O)N3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300028971704	0	55	0.0	-73.82	394.62	6.26	-67.56
CC1=C2C=C(C(=O)N3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=N1	REAL300028971715	0	46	0.0	-56.56	369.62	6.83	-49.73
CC1=C2C=C(C(=O)N3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300028971715	1	46	0.0	-56.56	369.62	6.83	-49.73
C[NH+](C)CCSCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028971731	0	48	0.0	-79.38	381.56	5.22	-74.16
CC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[N@H+](C)CC1=CC=CC=C1	REAL300028971753	0	54	0.0	-47.91	404.26	6.78	-41.13
NC1=NC2=C(C=C1C(=O)N1CCCN(C(=O)C3=CC(=O)[N-]O3)CC1)CCCC2	REAL300028971757	0	51	0.0	-44.90	387.21	4.21	-40.69
NC1=[NH+]C2=C(C=C1C(=O)N1CCCN(C(=O)C3=CC(=O)[N-]O3)CC1)CCCC2	REAL300028971757	1	51	0.0	-44.90	387.21	4.21	-40.69
O=C(C[N@H+]1CCCC1CO)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028971766	0	49	0.0	-69.45	358.27	1.42	-68.03
CC[NH+](CC)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028971769	0	47	0.0	-74.44	350.43	4.55	-69.89
C[N@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCSC1	REAL300028971786	0	49	0.0	-56.09	371.38	5.07	-51.02
O=C(CN1CCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028971788	0	42	0.0	-50.92	322.13	3.26	-47.66
O=C(C[NH+]1CCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028971788	1	42	0.0	-50.92	322.13	3.26	-47.66
CC[NH+](CC)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028971856	0	50	0.0	-76.70	372.12	5.16	-71.54
NC(=O)C1CC[NH+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028971882	0	52	0.0	-90.86	392.33	1.76	-89.10
C[NH+](C)CC1=CNC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300028971946	0	49	0.0	-80.53	370.72	4.67	-75.86
CC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC(O)CC1	REAL300028971972	0	52	0.0	-75.75	374.68	1.78	-73.97
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC3COCC[N@@H+]3C2)CC1	REAL300028971981	0	50	0.0	-74.41	371.80	3.51	-70.90
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC3COCC[N@H+]3C2)CC1	REAL300028971981	1	50	0.0	-75.35	363.90	3.23	-72.12
CC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC1	REAL300028972003	1	45	0.0	-61.33	339.90	3.79	-57.54
CCC(CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300028972017	0	53	0.0	-70.61	389.89	5.87	-64.74
NC1=CC=C(C=CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C=[NH+]1	REAL300028972026	0	45	0.0	-77.88	360.32	3.18	-74.70
C[NH+](C)CC(C)(C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028972027	0	50	0.0	-75.96	345.29	4.10	-71.86
C[NH+](C)C(CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CC=C1	REAL300028972074	0	54	0.0	-55.18	401.75	6.93	-48.25
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028972117	0	48	0.0	-50.49	342.12	3.98	-46.51
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028972117	1	48	0.0	-71.62	353.91	4.73	-66.89
CC1CN2CC[N@@H+]1CC2C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028972135	0	51	0.0	-83.05	359.42	1.37	-81.68
CC1CN2CC[N@H+]1CC2C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028972135	1	51	0.0	-78.39	362.68	1.79	-76.60
C[NH+](C)CC(O)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028972171	0	48	0.0	-80.90	367.37	2.24	-78.66
C[NH+]1C2CCC1CC(C(=O)N1CCCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300028972174	0	52	0.0	-74.87	369.33	5.21	-69.66
C#CC1(O)CC[NH+](C(C)C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028972216	0	54	0.0	-66.32	402.18	2.91	-63.41
C=CCC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028972231	0	48	0.0	-74.32	354.30	4.69	-69.63
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC1	REAL300028972247	0	52	0.0	-66.12	377.04	5.72	-60.40
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC3CCCC[N@H+]3C2)CC1	REAL300028972247	1	52	0.0	-73.83	378.75	5.77	-68.06
C[NH+]1CCC(C)(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028972265	0	51	0.0	-44.13	356.05	4.23	-39.90
C[NH+]1CCC(O)(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028972271	0	52	0.0	-76.56	383.20	3.21	-73.35
COCC[N@@H+]1CCCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028972290	0	55	0.0	-76.71	404.02	4.59	-72.12
COCC[N@H+]1CCCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028972290	1	55	0.0	-76.91	406.01	4.34	-72.57
C[NH+]1C2CCC1CC(CC(=O)N1CCCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300028972306	0	55	0.0	-75.45	380.46	5.71	-69.74
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028972351	0	51	0.0	-72.30	382.32	3.88	-68.42
C[N@@H+]1CCC2=C(C1)SC(C(=O)N1CCCN(C(=O)C3=CC(=O)[N-]O3)CC1)=C2	REAL300028972393	1	49	0.0	-91.37	377.61	5.38	-85.99
C[N@H+]1CCC2=C(C1)SC(C(=O)N1CCCN(C(=O)C3=CC(=O)[N-]O3)CC1)=C2	REAL300028972393	1	49	0.0	-70.34	378.31	5.58	-64.76
C[NH+]1CCC(C2(C(=O)N3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300028972405	0	55	0.0	-73.82	394.62	6.26	-67.56
CC1=C2C=C(C(=O)N3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300028972418	1	46	0.0	-56.56	369.62	6.83	-49.73
C[NH+](C)CCSCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028972433	0	48	0.0	-79.38	381.56	5.22	-74.16
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC3COCC[N@@H+]3C2)CC1	REAL300028972445	0	50	0.0	-74.41	371.80	3.51	-70.90
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC3COCC[N@H+]3C2)CC1	REAL300028972445	1	50	0.0	-75.35	363.90	3.23	-72.12
C[N@@H+]1CCCC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028972564	0	42	0.0	-63.31	336.08	1.29	-62.02
C[N@H+]1CCCC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028972564	1	42	0.0	-62.09	336.42	1.40	-60.69
CC(C)C1=[NH+]C=CN1CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028972765	1	49	0.0	-61.13	395.47	3.50	-57.63
CC(C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300028972769	0	51	0.0	-61.49	380.09	2.77	-58.72
CC(C)[N@@H+]1CCCC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028972803	0	48	0.0	-59.67	356.39	2.34	-57.33
CC(C)[N@H+]1CCCC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028972803	1	48	0.0	-58.95	356.87	2.19	-56.76
CC1(NC(=O)C2CC3CCCC[N@@H+]3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028972828	0	49	0.0	-60.04	377.91	3.08	-56.96
CC1(NC(=O)C2CC3CCCC[N@H+]3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028972828	1	49	0.0	-62.13	377.49	3.04	-59.09
CC(C)C1=[NH+]C=CN1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028972858	1	46	0.0	-61.00	375.90	3.07	-57.93
CC1=[NH+]C=CN1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028972909	1	40	0.0	-62.91	339.62	1.89	-61.02
CC(C[NH+]1CCOCC1)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028972911	1	49	0.0	-65.68	380.83	1.12	-64.56
CC1(NC(=O)CCC[NH+]2CCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028972929	0	51	0.0	-66.69	395.66	3.51	-63.18
CC1(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028972968	0	55	0.0	-66.62	416.13	4.21	-62.41
CC1(NC(=O)C2CC[N@H+](C3CCCCC3)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028972968	1	55	0.0	-66.42	415.67	4.21	-62.21
CC1(NC(=O)C2C[NH+]3CCC2CC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028972985	0	46	0.0	-74.21	351.29	2.15	-72.06
CC1(NC(=O)C2CCCC3CCC[N@@H+]32)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028973046	0	49	0.0	-58.73	374.98	3.16	-55.57
CC1(NC(=O)C2CCCC3CCC[N@H+]32)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028973046	1	49	0.0	-60.61	366.52	2.89	-57.72
C[NH+](C)CCN1C=C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300028973048	0	48	0.0	-74.82	394.43	1.74	-73.08
C[NH+](C)CCN1C=CC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300028973062	0	48	0.0	-75.53	394.81	1.77	-73.76
C[C@@H]1[C@H](C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028973069	0	45	0.0	-70.32	346.74	1.23	-69.09
C[C@@H]1[C@H](C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028973069	1	45	0.0	-69.77	352.96	1.60	-68.17
CCC1=[NH+]C=CN1C(C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028973072	1	49	0.0	-61.74	396.10	3.54	-58.20
CC[C@@H]1[C@@H](C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028973075	0	48	0.0	-69.80	367.08	2.04	-67.76
CC[C@@H]1[C@@H](C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028973075	1	48	0.0	-61.53	371.38	2.53	-59.00
CC[N@@H+]1CCOC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028973101	1	46	0.0	-72.43	358.23	1.10	-71.33
CC[N@H+]1CCOC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028973101	1	46	0.0	-56.15	358.20	1.09	-55.06
CC[NH+](CC)CC(F)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028973160	0	47	0.0	-69.88	373.46	2.28	-67.60
CC1CCC(C)[NH+]1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028973263	0	48	0.0	-60.79	367.25	2.15	-58.64
CC1(NC(=O)CCC[NH+]2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028973273	0	48	0.0	-66.64	380.01	2.80	-63.84
C[NH+](C)CC1=CC=CC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300028973274	0	48	0.0	-69.69	388.29	3.83	-65.86
C#CC[NH+]1CCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028973282	0	47	0.0	-70.49	379.44	3.08	-67.41
CC1(NC(=O)CC[NH+]2CCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028973283	0	48	0.0	-65.63	374.18	2.69	-62.94
CC(C)C[N@@H+]1CCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028973319	0	51	0.0	-63.87	394.99	3.24	-60.63
CC(C)C[N@H+]1CCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028973319	1	51	0.0	-66.29	394.45	3.26	-63.03
CC(C)[N@@H+]1CCCC1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028973331	0	51	0.0	-65.91	381.98	2.61	-63.30
CC(C)[N@H+]1CCCC1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028973331	1	51	0.0	-63.89	380.69	2.51	-61.38
C[N@H+](CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300028973418	0	45	0.0	-62.79	356.24	2.33	-60.46
C[N@@H+](CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300028973418	1	45	0.0	-63.48	356.37	2.27	-61.21
CC(C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300028973503	0	51	0.0	-58.19	378.46	2.49	-55.70
CN(CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300028973576	0	47	0.0	-60.19	384.63	1.93	-58.26
C[N@@H+]1CCCC1CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028973598	0	48	0.0	-69.68	377.59	2.86	-66.82
C[N@H+]1CCCC1CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028973598	1	48	0.0	-67.37	372.11	2.38	-64.99
CC1(NC(=O)C2CCC3CCCC[N@@H+]32)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028973616	0	49	0.0	-58.94	377.95	3.23	-55.71
CC1(NC(=O)C2CCC3CCCC[N@H+]32)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028973616	1	49	0.0	-63.32	370.78	2.83	-60.49
CC[NH+](CC)CC1=CC=C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028973641	0	51	0.0	-68.24	410.34	3.52	-64.72
CC1(NC(=O)CCCC[NH+]2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028973646	0	51	0.0	-67.44	401.49	3.59	-63.85
C[N@H+](CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300028973649	1	48	0.0	-68.56	386.85	3.85	-64.71
C[N@@H+](CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300028973649	1	48	0.0	-69.30	386.86	3.93	-65.37
C[NH+]1CCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028973665	0	45	0.0	-70.71	354.76	1.94	-68.77
C[NH+](C)CC1=CC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300028973716	1	44	0.0	-77.13	369.30	1.29	-75.84
CC1=C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300028973718	0	43	0.0	-66.89	354.24	4.13	-62.76
CC1(NC(=O)C2=CN3C=[NH+]C=C3C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028973948	0	40	0.0	-68.29	340.30	3.85	-64.44
CC1=[NH+]C=CN1CCCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028973964	1	46	0.0	-64.83	381.14	3.16	-61.67
CC1(NC(=O)CCCC[NH+]2CCOCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028973968	1	52	0.0	-70.36	408.44	1.85	-68.51
C[NH+](C)CC1=CC=C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300028973972	0	48	0.0	-72.75	388.26	3.76	-68.99
CC1(NC(=O)CC[NH+]2CCOCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028973973	1	46	0.0	-68.38	365.43	0.28	-68.10
CCC[NH+](CCC)CCCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028973995	0	56	0.0	-66.94	432.73	4.48	-62.46
CC1=C[NH+]=CN1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028974019	1	40	0.0	-62.40	339.95	2.61	-59.79
CC1(NC(=O)CN2C=[NH+]C3=C2CCCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028974032	1	47	0.0	-66.59	381.74	4.42	-62.17
C[NH+](C)CC1(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCCC1	REAL300028974065	0	54	0.0	-78.18	389.93	3.79	-74.39
C[N@H+](CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300028974069	0	54	0.0	-67.02	408.48	3.92	-63.10
C[N@@H+](CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300028974069	1	54	0.0	-67.41	408.58	3.87	-63.54
C[NH+](C)C1CCCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028974115	0	51	0.0	-66.24	388.97	3.17	-63.07
C[N@@H+]1CCC(CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028974122	0	45	0.0	-69.42	357.05	1.90	-67.52
C[N@H+]1CCC(CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028974122	1	45	0.0	-68.70	357.15	1.94	-66.76
CCC(C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028974139	0	44	0.0	-65.42	340.89	1.22	-64.20
C[NH+](C)C1(CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300028974160	0	51	0.0	-68.56	370.15	2.62	-65.94
CC1(NC(=O)C2=CC3=C[NH+]=CN3C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028974225	1	40	0.0	-71.40	340.58	3.84	-67.56
CC1(NC(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028974267	1	43	0.0	-77.55	369.83	1.71	-75.84
C[NH+](C)CCCCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028974296	0	47	0.0	-68.97	375.54	2.40	-66.57
CCC[N@H+](C)CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028974317	0	47	0.0	-66.93	371.76	2.23	-64.70
CCC[N@@H+](C)CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028974317	1	47	0.0	-67.16	371.77	2.23	-64.93
CCC[N@H+](C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028974322	0	44	0.0	-65.23	349.38	1.75	-63.48
CCC[N@@H+](C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028974322	1	44	0.0	-64.60	349.41	1.68	-62.92
CC1(NC(=O)C23CC[N@H+](C2)CCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028974347	0	46	0.0	-66.37	351.97	1.57	-64.80
CC1(NC(=O)C23CC[N@@H+](C2)CCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028974347	1	46	0.0	-72.01	351.00	1.59	-70.42
C[N@@H+]1CCC[C@@H]1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028974408	0	42	0.0	-60.40	330.36	0.88	-59.52
C[N@H+]1CCC[C@@H]1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028974408	1	42	0.0	-62.08	336.43	1.40	-60.68
CC1CC2CCC(C(=O)NC3(C)CN(C(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300028974437	0	52	0.0	-58.38	392.26	3.83	-54.55
CC1CC2CCC(C(=O)NC3(C)CN(C(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300028974437	1	52	0.0	-64.22	398.06	3.60	-60.62
CCCCCC[N@H+](C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028974486	0	53	0.0	-66.30	413.87	4.10	-62.20
CCCCCC[N@@H+](C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028974486	1	53	0.0	-66.53	413.87	4.09	-62.44
CC[NH+](CC)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028974509	0	44	0.0	-63.62	341.80	1.42	-62.20
CCC[N@@H+]1CCCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028974534	0	51	0.0	-59.87	387.64	3.57	-56.30
CCC[N@H+]1CCCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028974534	1	51	0.0	-62.36	387.66	3.47	-58.89
CC(C)[N@@H+]1CCOC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028974551	1	49	0.0	-71.13	375.26	1.70	-69.43
CC(C)[N@H+]1CCOC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028974551	1	49	0.0	-57.32	374.96	1.70	-55.62
CC1CC[NH+](CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028974591	0	48	0.0	-65.36	372.71	2.84	-62.52
CC1(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028974619	1	43	0.0	-75.71	369.44	1.78	-73.93
C[NH+]1CCC(OCC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028974627	0	49	0.0	-73.30	390.11	2.26	-71.04
C[NH+](C)CC1(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028974645	0	45	0.0	-74.51	356.04	2.06	-72.45
CC1=[NH+]C=C2CCC(C(=O)NC3(C)CN(C(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300028974646	1	47	0.0	-61.55	378.51	3.09	-58.46
CC(C)[NH+]1CCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028974738	0	51	0.0	-67.95	385.41	2.88	-65.07
C[NH+]1CCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028974765	0	45	0.0	-70.71	354.76	1.94	-68.77
CCC(C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300028974802	0	50	0.0	-58.42	376.30	2.58	-55.84
CC[N@H+](C)CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028974898	0	44	0.0	-66.32	350.27	1.46	-64.86
CC[N@@H+](C)CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028974898	1	44	0.0	-66.52	350.27	1.48	-65.04
CC1CCC[N@@H+]1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028974970	0	45	0.0	-62.55	349.09	1.71	-60.84
CC1CCC[N@H+]1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028974970	1	45	0.0	-62.94	355.52	2.13	-60.81
CC1CC[N@H+](CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028974973	0	45	0.0	-64.91	356.64	1.99	-62.92
CC1CC[N@@H+](CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028974973	1	45	0.0	-64.79	356.24	2.11	-62.68
CC(C)(C)[N@@H+]1CCC(F)(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028974974	0	51	0.0	-65.77	392.41	2.63	-63.14
CC(C)(C)[N@H+]1CCC(F)(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028974974	1	51	0.0	-58.46	392.17	2.64	-55.82
CC1=[NH+]C=C2CC(C(=O)NC3(C)CN(C(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300028974975	1	47	0.0	-65.08	378.65	3.07	-62.01
C[NH+](C)CCC1=CC=C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300028974977	0	51	0.0	-74.48	410.77	4.61	-69.87
CC1(NC(=O)C[N@@H+]2CCC(C)(C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028974979	0	48	0.0	-64.09	375.72	2.51	-61.58
CC1(NC(=O)C[N@H+]2CCC(C)(C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028974979	1	48	0.0	-64.42	375.18	2.59	-61.83
C[N@H+](CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300028974980	0	50	0.0	-64.33	379.77	2.86	-61.47
C[N@@H+](CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300028974980	1	50	0.0	-65.35	379.93	2.91	-62.44
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028974981	0	51	0.0	-69.46	409.28	4.78	-64.68
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028974981	1	51	0.0	-68.89	409.33	4.69	-64.20
CC[C@@H](C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028974990	0	44	0.0	-61.32	343.93	1.85	-59.47
CC(COCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300028974997	0	52	0.0	-66.33	408.75	2.92	-63.41
CC1(NC(=O)C2CC[NH+](CC3CC3)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975097	0	52	0.0	-70.09	403.93	4.14	-65.95
C[NH+]1CCC(O)(CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028975232	0	49	0.0	-65.91	380.69	0.57	-65.34
COCC[N@@H+]1CCCC1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975238	0	52	0.0	-67.29	399.38	1.65	-65.64
COCC[N@H+]1CCCC1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975238	1	52	0.0	-66.25	401.52	1.38	-64.87
CC1(NC(=O)C[NH+]2CCC(CO)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975249	0	49	0.0	-68.83	383.95	-0.48	-69.31
CC1(NC(=O)C[NH+]2CCCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975253	0	48	0.0	-65.06	363.34	2.74	-62.32
CN1C=C[N+](CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300028975258	0	40	0.0	-64.06	341.43	3.77	-60.29
C[N@@H+]1CCCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028975270	0	45	0.0	-59.84	348.69	2.17	-57.67
C[N@H+]1CCCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028975270	1	45	0.0	-67.64	354.72	1.89	-65.75
CC1(NC(=O)C2CCC[N@@H+]2C2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975274	0	46	0.0	-66.00	362.79	2.34	-63.66
CC1(NC(=O)C2CCC[N@H+]2C2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975274	1	46	0.0	-60.04	356.46	1.97	-58.07
CC(C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300028975307	1	42	0.0	-62.43	338.35	1.44	-60.99
CCC(CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300028975319	0	50	0.0	-66.04	385.41	2.89	-63.15
CC1(NC(=O)C[NH+]2CCC(O)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975370	1	46	0.0	-68.58	362.96	-1.20	-69.78
C[N@H+](CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028975372	0	42	0.0	-61.76	339.40	1.69	-60.07
C[N@@H+](CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028975372	1	42	0.0	-62.24	339.56	1.68	-60.56
CC(C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300028975373	1	50	0.0	-68.52	381.08	0.08	-68.44
C[NH+]1CC(CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028975403	0	42	0.0	-68.40	341.57	1.09	-67.31
CC1(NC(=O)C2CC[N@@H+]2C2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975407	0	49	0.0	-65.34	382.69	3.23	-62.11
CC1(NC(=O)C2CC[N@H+]2C2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975407	1	49	0.0	-64.34	381.00	3.12	-61.22
CC(C)(C)[N@@H+]1CCC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975415	0	48	0.0	-61.00	371.61	2.05	-58.95
CC(C)(C)[N@H+]1CCC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975415	1	48	0.0	-63.41	355.87	1.40	-62.01
CC1(NC(=O)C2CCN(C3=CC=[NH+]C=C3)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975426	0	48	0.0	-68.17	388.47	1.05	-67.12
CCC1CCC[N@H+](CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028975478	0	51	0.0	-64.93	384.36	3.42	-61.51
CCC1CCC[N@@H+](CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028975478	1	51	0.0	-63.16	383.88	3.01	-60.15
C[NH+](C)CC1=CC=C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300028975487	0	46	0.0	-71.64	376.74	1.69	-69.95
C[NH+]1C2CCC1CC(CC(=O)NC1(C)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028975501	0	52	0.0	-61.52	375.83	2.72	-58.80
C[NH+](C)C(CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300028975506	0	51	0.0	-73.10	400.36	4.36	-68.74
CC1(NC(=O)CN2C=CSC2=[NH2+])CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975545	0	38	0.0	-62.26	337.25	0.45	-61.81
C[N@H+](CCO)CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975554	0	45	0.0	-67.46	360.62	-1.74	-69.20
C[N@@H+](CCO)CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975554	1	45	0.0	-65.44	360.59	-1.76	-67.20
C[N@@H+]1CCCC[C@@H]1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975559	0	45	0.0	-65.99	342.81	1.69	-64.30
C[N@H+]1CCCC[C@@H]1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975559	1	45	0.0	-64.76	352.09	1.85	-62.91
CC1CN2CC[N@@H+]1CC2C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975566	0	48	0.0	-73.01	362.92	-0.68	-73.69
CC1CN2CC[N@H+]1CC2C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975566	1	48	0.0	-61.35	363.20	-0.69	-62.04
CC1(NC(=O)CC2=CC3=C[NH+]=CN3C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975625	0	43	0.0	-66.42	364.54	4.46	-61.96
C[N@H+](CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300028975654	0	46	0.0	-72.03	369.67	2.50	-69.53
C[N@@H+](CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300028975654	1	46	0.0	-68.37	369.46	2.51	-65.86
C[NH+](C)CC1=CC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC=N1	REAL300028975691	1	47	0.0	-69.30	384.31	2.29	-67.01
C[N@@H+]1CCC(=CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028975692	0	43	0.0	-70.15	348.02	1.83	-68.32
C[N@H+]1CCC(=CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028975692	1	43	0.0	-70.21	348.03	1.85	-68.36
CC1(NC(=O)C2C[NH+](C3CCCCC3)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975718	0	52	0.0	-68.25	401.82	3.72	-64.53
C[NH+](C)CCOCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975734	0	45	0.0	-68.19	366.03	1.23	-66.96
CCCCC[N@H+](C)CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975742	0	53	0.0	-67.75	414.75	3.79	-63.96
CCCCC[N@@H+](C)CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975742	1	53	0.0	-68.36	414.74	3.86	-64.50
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028975752	0	49	0.0	-68.51	387.35	2.39	-66.12
C=CCC(C)(C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028975764	0	48	0.0	-61.53	365.52	2.30	-59.23
C[S+](C)CCC(O)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975769	0	44	0.0	-61.22	374.99	-0.17	-61.39
CN1CC[N@H+](C)CC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028975813	0	50	0.0	-66.90	381.18	0.10	-66.80
CN1CC[N@@H+](C)CC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028975813	1	50	0.0	-66.90	381.18	0.10	-66.80
CC(C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300028975814	0	49	0.0	-60.74	381.00	-0.76	-61.50
C[N@@H+]1CCCC(O)(CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028975841	0	49	0.0	-66.08	367.89	0.52	-65.56
C[N@H+]1CCCC(O)(CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028975841	1	49	0.0	-66.08	367.89	0.52	-65.56
CC1CN(CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028975845	0	42	0.0	-64.44	340.24	1.43	-63.01
CC1C[NH+](CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028975845	1	42	0.0	-64.44	340.24	1.43	-63.01
CC1(NC(=O)C[NH+]2CCC(C(N)=O)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975850	0	49	0.0	-77.01	387.79	-1.18	-78.19
C[N@H+](CCO)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975872	1	42	0.0	-67.01	338.23	-2.22	-69.23
C[N@@H+](CCO)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975872	1	42	0.0	-65.57	338.05	-2.30	-67.87
C[NH+]1C2CCC1CC(=CC(=O)NC1(C)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028975898	0	50	0.0	-66.86	383.22	3.28	-63.58
CC1(NC(=O)C2C[N@@H+]3CCN2CCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975902	0	48	0.0	-77.06	357.28	0.14	-76.92
CC1(NC(=O)C2C[N@H+]3CCN2CCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975902	1	48	0.0	-62.33	358.27	-0.42	-62.75
CC[N@@H+]1CCCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028975911	0	48	0.0	-59.69	366.38	2.83	-56.86
CC[N@H+]1CCCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028975911	1	48	0.0	-66.20	372.40	2.62	-63.58
CC(CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300028975913	0	47	0.0	-67.06	367.35	2.27	-64.79
CC[N@H+](CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028975989	0	45	0.0	-61.79	358.77	2.29	-59.50
CC[N@@H+](CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028975989	1	45	0.0	-62.19	356.22	2.29	-59.90
CC[NH+](CC)CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976007	0	47	0.0	-65.33	368.12	2.17	-63.16
C[NH+]1CCC(=CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028976027	0	46	0.0	-66.73	363.67	2.55	-64.18
CC1(C)C[NH+](CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028976044	1	45	0.0	-64.82	360.56	1.92	-62.90
CC1(NC(=O)CCCC[NH+]2CCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976050	0	54	0.0	-68.08	416.69	4.33	-63.75
CC1(NC(=O)C[N@@H+]2CCC(C)(O)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976080	0	46	0.0	-66.48	366.69	-1.24	-67.72
CC1(NC(=O)C[N@H+]2CCC(C)(O)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976080	1	46	0.0	-64.30	366.63	-1.26	-65.56
C[NH+](C)CC=CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976090	0	42	0.0	-68.30	346.13	1.47	-66.83
CC(OCC[NH+](C)C)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976111	0	48	0.0	-67.36	385.02	1.97	-65.39
C[NH+](C)CCOCCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976123	0	48	0.0	-65.54	387.00	1.06	-64.48
COCC[N@H+](C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976124	1	45	0.0	-65.95	360.30	0.10	-65.85
COCC[N@@H+](C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976124	1	45	0.0	-67.13	360.48	0.18	-66.95
COCCCC[N@H+](C)CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976156	0	54	0.0	-70.58	426.93	2.08	-68.50
COCCCC[N@@H+](C)CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976156	1	54	0.0	-70.80	426.94	2.08	-68.72
CC(CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028976180	0	47	0.0	-65.97	363.81	2.00	-63.97
CC[N@@H+]1CCC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976190	1	42	0.0	-62.07	334.69	1.00	-61.07
CC[N@H+]1CCC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976190	1	42	0.0	-64.35	341.81	1.37	-62.98
CC(C)[N@@H+]1CCCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028976205	0	51	0.0	-58.43	383.01	3.34	-55.09
CC(C)[N@H+]1CCCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028976205	1	51	0.0	-61.84	382.78	3.34	-58.50
CN1C=C[NH+]=C1N1CCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028976206	1	49	0.0	-65.15	397.44	2.65	-62.50
CC(C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300028976212	0	51	0.0	-61.99	405.10	4.29	-57.70
CC(C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300028976212	1	51	0.0	-67.07	404.89	4.34	-62.73
CC1(NC(=O)C[N@@H+]2CCCC2CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976221	0	46	0.0	-60.82	356.25	-1.11	-61.93
CC1(NC(=O)C[N@H+]2CCCC2CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976221	1	46	0.0	-63.68	364.79	-1.01	-64.69
CC1(NC(=O)C2CC3CCCC[N@@H+]3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976247	0	49	0.0	-60.04	377.91	3.08	-56.96
CC1(NC(=O)C2CC3CCCC[N@H+]3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976247	1	49	0.0	-62.13	377.49	3.04	-59.09
C[NH+](C)CC1=CNC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300028976259	0	46	0.0	-69.16	376.53	1.53	-67.63
CC(C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300028976276	0	49	0.0	-64.19	373.51	-0.91	-65.10
C#CC1(O)CC[NH+](C(C)C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028976285	0	51	0.0	-65.44	398.58	0.00	-65.44
C=CCC(C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028976295	0	45	0.0	-63.58	352.93	1.84	-61.74
C[NH+](C)C12CCC(C(=O)NC3(C)CN(C(=O)C4=CC(=O)[N-]O4)C3)(CC1)CC2	REAL300028976303	0	55	0.0	-71.96	400.02	3.58	-68.38
C[N@@H+]1CC(C)(C)CC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976309	0	48	0.0	-68.03	370.15	2.05	-65.98
C[N@H+]1CC(C)(C)CC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976309	1	48	0.0	-58.52	370.56	1.86	-56.66
C[NH+](C)CCCCCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976314	0	50	0.0	-69.21	397.04	3.18	-66.03
CC1(NC(=O)C[NH+]2CC3CC3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976326	0	43	0.0	-64.91	345.47	2.21	-62.70
CC1C[N@@H+](C2CCC2C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCO1	REAL300028976343	0	53	0.0	-63.33	413.92	2.14	-61.19
CC1C[N@H+](C2CCC2C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCO1	REAL300028976343	1	53	0.0	-57.45	393.39	2.25	-55.20
CC1C[N@@H+]2CCN1C(C(=O)NC1(C)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028976368	0	48	0.0	-65.82	348.23	-0.24	-66.06
CC1C[N@H+]2CCN1C(C(=O)NC1(C)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028976368	1	48	0.0	-63.29	363.03	-0.62	-63.91
CCCC(C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028976370	0	47	0.0	-68.77	365.40	2.70	-66.07
CC[NH+](CC)CCSCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976418	0	51	0.0	-69.43	412.76	3.56	-65.87
C[N@@H+]1CCCCC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976427	0	45	0.0	-62.07	343.03	1.75	-60.32
C[N@H+]1CCCCC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976427	1	45	0.0	-64.79	352.12	1.86	-62.93
C[N@H+]1CC=C(CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028976481	0	46	0.0	-66.99	369.38	2.66	-64.33
C[N@@H+]1CC=C(CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028976481	1	46	0.0	-66.02	369.53	2.66	-63.36
CC1(NC(=O)CC2([NH+]3CCCC3)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976492	0	49	0.0	-63.72	374.13	3.01	-60.71
CN(C)CC1=CC=C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028976551	0	45	0.0	-70.86	374.69	2.15	-68.71
C[NH+](C)CC1=CC=C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028976551	1	45	0.0	-70.86	374.69	2.15	-68.71
CC1(NC(=O)C=CC[NH+]2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976570	0	46	0.0	-69.41	372.43	2.67	-66.74
CC1(NC(=O)C2CC[NH+](C3CC3)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976595	0	49	0.0	-63.97	379.57	3.13	-60.84
C[N@@H+]1CC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(C(F)(F)F)C1	REAL300028976614	0	45	0.0	-67.81	374.81	2.09	-65.72
C[N@H+]1CC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(C(F)(F)F)C1	REAL300028976614	1	45	0.0	-67.81	374.81	2.09	-65.72
CC1(NC(=O)CC[NH+]2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976619	0	45	0.0	-65.71	358.49	2.00	-63.71
CN1CC(N2CC(C(=O)NC3(C)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2=O)C1	REAL300028976629	0	50	0.0	-80.32	398.87	1.21	-79.11
C[NH+]1CC(N2CC(C(=O)NC3(C)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2=O)C1	REAL300028976629	1	50	0.0	-80.32	398.87	1.21	-79.11
CC1=C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C=NN1CC[NH+](C)C	REAL300028976693	0	51	0.0	-75.53	411.17	2.30	-73.23
CC1(NC(=O)C[N@@H+]2CC3CCC2C3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976696	0	46	0.0	-63.99	354.75	2.26	-61.73
CC1(NC(=O)C[N@H+]2CC3CCC2C3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976696	1	46	0.0	-63.99	354.75	2.26	-61.73
CC(C)[NH+]1CCC(CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028976712	0	54	0.0	-65.36	407.62	3.82	-61.54
CC1(NC(=O)C=C2C[NH+]3CCC2CC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976761	0	47	0.0	-65.35	366.58	2.73	-62.62
CC1(NC(=O)CN2CC3C=CC2C3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976772	0	44	0.0	-61.29	349.24	2.22	-59.07
CC1(NC(=O)C[N@@H+]2CC3C=CC2C3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976772	1	44	0.0	-63.18	349.24	2.14	-61.04
CC1(NC(=O)C[N@H+]2CC3C=CC2C3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976772	1	44	0.0	-63.18	349.24	2.14	-61.04
C[NH+](C)CC(C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300028976802	0	51	0.0	-65.28	406.23	4.35	-60.93
CC(C[NH+](C)C)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976827	0	44	0.0	-66.01	348.58	1.53	-64.48
C[N@@H+]1CCCCC1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976923	0	48	0.0	-66.13	369.40	2.44	-63.69
C[N@H+]1CCCCC1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976923	1	48	0.0	-56.45	362.13	2.41	-54.04
CC1=C2C=C(C(=O)NC3(C)CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300028976941	1	43	0.0	-69.28	362.49	4.40	-64.88
CC(C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300028976942	0	45	0.0	-61.17	360.49	2.02	-59.15
CC1CC[N@@H+]1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976946	1	42	0.0	-63.01	336.45	1.23	-61.78
CC1CC[N@H+]1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976946	1	42	0.0	-64.90	341.71	1.43	-63.47
C[NH+](C)CC(O)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976950	0	45	0.0	-70.70	362.86	-0.80	-71.50
CC1C[N@H+](C)CC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028976981	1	46	0.0	-70.35	361.52	0.99	-69.36
CC1C[N@@H+](C)CC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028976981	1	46	0.0	-55.68	361.61	1.20	-54.48
CC1(NC(=O)CC[NH+]2CCC(O)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976993	0	49	0.0	-68.81	384.79	-0.67	-69.48
CCC[N@@H+]1CCCCC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976996	0	51	0.0	-58.79	391.46	3.24	-55.55
CCC[N@H+]1CCCCC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976996	1	51	0.0	-59.41	391.44	3.33	-56.08
CC[NH+]1CCN(CCC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028977000	0	53	0.0	-67.06	408.75	1.02	-66.04
CCN1CC[NH+](CCC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028977000	1	53	0.0	-66.64	408.78	0.92	-65.72
CC1(NC(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028977002	0	52	0.0	-68.34	380.47	3.12	-65.22
CC1(NC(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028977002	1	52	0.0	-63.56	384.98	3.80	-59.76
CC(C)C[NH+]1CCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028977050	0	54	0.0	-69.30	411.21	4.02	-65.28
C[NH+](C)C1CCN(CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028977071	0	53	0.0	-69.51	403.48	1.05	-68.46
C[NH+](C)[C@H]1C[C@H](C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028977094	0	45	0.0	-62.34	359.90	1.99	-60.35
CC(CC[NH+](C)C)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028977104	0	47	0.0	-67.19	370.21	2.15	-65.04
C[N@H+](CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300028977136	0	49	0.0	-61.48	380.66	-0.33	-61.81
C[N@@H+](CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300028977136	1	49	0.0	-64.10	381.14	-0.46	-64.56
C#CC[N@H+]1CCCCC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028977144	1	47	0.0	-59.11	377.67	3.14	-55.97
C#CC[N@@H+]1CCCCC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028977144	1	47	0.0	-64.43	377.70	3.15	-61.28
C[NH+](C)C(CC1=CC=CC=C1)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028977149	0	51	0.0	-64.46	403.63	4.85	-59.61
C[NH+]1CCN(CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028977151	1	47	0.0	-69.20	369.15	-0.17	-69.37
CC[NH+]1CCN(CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028977161	0	50	0.0	-67.87	386.89	0.51	-67.36
CC1(NC(=O)CSC(N)=[NH2+])CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028977185	0	36	0.0	-66.73	318.69	-2.86	-69.59
CCN1CCOCC1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028977233	0	49	0.0	-70.24	373.92	0.65	-69.59
CC[N@@H+]1CCOCC1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028977233	1	49	0.0	-65.22	373.52	0.71	-64.51
CC[N@H+]1CCOCC1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028977233	1	49	0.0	-65.22	373.52	0.71	-64.51
CC1CCCC(C)[NH+]1CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028977251	0	54	0.0	-62.25	404.17	3.39	-58.86
C[NH+](C)C1CCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028977254	0	51	0.0	-71.22	389.01	3.10	-68.12
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028977258	0	51	0.0	-54.07	382.43	3.02	-51.05
C[N@@H+]1CC=CCC1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028977259	0	46	0.0	-56.90	356.57	2.33	-54.57
C[N@H+]1CC=CCC1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028977259	1	46	0.0	-56.90	356.57	2.33	-54.57
C[C@@H](OCC[NH+](C)C)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028977288	0	48	0.0	-62.28	385.79	1.98	-60.30
C[NH+]1C2CCC1CC(C(=O)NC1(C)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028977321	0	49	0.0	-67.47	347.70	2.56	-64.91
C[NH+]1CCC(O)(C2(C(=O)NC3(C)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300028977425	0	53	0.0	-63.94	401.21	1.18	-62.76
CC(C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300028977469	1	46	0.0	-64.15	365.54	2.11	-62.04
CC1(NC(=O)C2C[NH+](C3CCOCC3)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028977473	0	50	0.0	-71.16	393.69	1.27	-69.89
C[N@H+]1CCC[C@H]1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028977483	1	42	0.0	-67.69	330.38	0.89	-66.80
CC1(NC(=O)CC[N@H+]2CCC(F)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028977492	1	45	0.0	-68.59	364.36	2.09	-66.50
CC1(NC(=O)CC[NH+]2CCCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028977515	0	51	0.0	-68.82	384.17	2.97	-65.85
CC1(NC(=O)C[NH+]2CCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028977519	0	45	0.0	-63.95	351.86	2.15	-61.80
CC1C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028977527	0	45	0.0	-63.10	347.45	1.44	-61.66
CC1C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028977527	1	45	0.0	-68.77	352.23	1.83	-66.94
C[N@@H+]1CCCCC1CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028977530	0	51	0.0	-65.24	391.34	3.27	-61.97
C[N@H+]1CCCCC1CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028977530	1	51	0.0	-64.89	391.72	3.27	-61.62
CC1(NC(=O)C2CC[N@@H+]3CCOCC23)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028977562	0	47	0.0	-66.02	369.07	0.54	-65.48
CC1(NC(=O)C2CC[N@H+]3CCOCC23)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028977562	1	47	0.0	-70.17	369.12	0.55	-69.62
CC1=[NH+]C=C2C=CC(C(=O)NC3(C)CN(C(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300028977570	0	43	0.0	-64.39	361.73	3.63	-60.76
CN1CCOCC1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028977591	0	46	0.0	-66.12	353.30	-0.07	-66.19
C[N@@H+]1CCOCC1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028977591	1	46	0.0	-72.06	361.00	0.14	-71.92
C[N@H+]1CCOCC1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028977591	1	46	0.0	-66.12	353.30	-0.07	-66.19
CC1=C(C)[NH+]=C(CCC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300028977603	1	46	0.0	-61.55	380.30	1.63	-59.92
C[NH+](C)CCC1=CC=CC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300028977613	0	51	0.0	-74.01	410.77	4.65	-69.36
CC1(NC(=O)C2CCN2CC2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028977616	0	49	0.0	-68.16	401.65	4.35	-63.81
CC1(NC(=O)C2CC[N@@H+]2CC2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028977616	1	49	0.0	-65.42	394.58	4.00	-61.42
CC1(NC(=O)C2CC[N@H+]2CC2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028977616	1	49	0.0	-68.16	401.65	4.35	-63.81
CC(C)C[N@@H+]1CCCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028977620	0	54	0.0	-60.30	405.07	4.25	-56.05
CC(C)C[N@H+]1CCCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028977620	1	54	0.0	-60.19	405.30	4.25	-55.94
C[N@H+]1CCCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028977749	1	42	0.0	-60.98	333.42	1.28	-59.70
CN1CCOC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028977771	0	43	0.0	-55.55	338.16	0.52	-55.03
C[N@@H+]1CCOC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028977771	1	43	0.0	-72.04	340.18	0.54	-71.50
C[N@H+]1CCOC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028977771	1	43	0.0	-55.55	338.16	0.52	-55.03
CC1=[NH+]C=CN1CCCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028977927	1	46	0.0	-61.62	383.06	3.30	-58.32
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300028977931	1	52	0.0	-69.04	410.66	2.06	-66.98
C[NH+](C)CC1=CC=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300028977937	0	48	0.0	-70.96	385.62	3.49	-67.47
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[NH+]2CCOCC2)C1	REAL300028977938	1	46	0.0	-66.76	367.66	0.47	-66.29
C[NH+](C)C(C)(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300028977960	0	51	0.0	-67.83	381.13	3.74	-64.09
CCC[NH+](CCC)CCCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028977968	0	56	0.0	-64.94	434.64	4.60	-60.34
CC[N@H+](C)C(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300028977969	0	51	0.0	-55.63	405.29	4.56	-51.07
CC[N@@H+](C)C(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300028977969	1	51	0.0	-56.93	398.71	4.49	-52.44
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300028977990	0	46	0.0	-76.60	346.28	2.06	-74.54
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300028978010	1	40	0.0	-69.27	337.69	3.52	-65.75
C[NH+](C)C1CCCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028978100	0	51	0.0	-62.58	382.08	2.90	-59.68
C[N@@H+]1CCC(CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028978107	0	45	0.0	-65.10	358.88	1.93	-63.17
C[N@H+]1CCC(CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028978107	1	45	0.0	-66.62	359.08	2.06	-64.56
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028978121	0	44	0.0	-69.12	361.76	0.51	-68.61
CCC(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028978127	0	44	0.0	-59.47	344.96	1.59	-57.88
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)C1	REAL300028978137	1	43	0.0	-75.44	369.74	1.94	-73.50
CC1CC2CCC(C(=O)N3CC(C)(NC(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300028978195	0	52	0.0	-58.60	391.79	3.69	-54.91
CC1CC2CCC(C(=O)N3CC(C)(NC(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300028978195	1	52	0.0	-58.00	391.81	3.70	-54.30
C[NH+](C)CCCCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028978235	0	47	0.0	-67.28	377.44	2.52	-64.76
CC(C)C(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028978262	0	47	0.0	-58.09	357.70	2.17	-55.92
CCC[N@H+](C)CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028978264	0	47	0.0	-64.90	373.99	2.41	-62.49
CCC[N@@H+](C)CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028978264	1	47	0.0	-64.73	373.67	2.36	-62.37
CCC[N@H+](C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028978271	0	44	0.0	-62.23	351.28	1.80	-60.43
CCC[N@@H+](C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028978271	1	44	0.0	-62.18	351.63	1.87	-60.31
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300028978304	0	46	0.0	-64.32	348.53	1.40	-62.92
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300028978304	1	46	0.0	-83.13	346.79	1.43	-81.70
CCCCCC[N@H+](C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028978360	0	53	0.0	-63.15	415.90	4.21	-58.94
CCCCCC[N@@H+](C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028978360	1	53	0.0	-63.13	416.12	4.21	-58.92
CC[NH+](CC)C(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300028978373	0	53	0.0	-54.82	387.74	3.29	-51.53
CC1CC[NH+](CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028978422	0	48	0.0	-61.95	375.35	2.93	-59.02
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300028978456	1	43	0.0	-74.36	366.62	1.56	-72.80
C[NH+]1CCC(OCC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028978466	0	49	0.0	-70.53	392.31	2.60	-67.93
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300028978542	0	49	0.0	-61.64	377.74	3.05	-58.59
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300028978542	1	49	0.0	-61.80	378.92	3.10	-58.70
C[NH+](C)CC1(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028978563	0	45	0.0	-69.36	361.14	2.05	-67.31
CC1=[NH+]C=C2CCC(C(=O)N3CC(C)(NC(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300028978564	1	47	0.0	-64.43	381.29	3.06	-61.37
CC(C)[NH+]1CCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028978577	0	51	0.0	-62.26	388.30	2.98	-59.28
CC[N@H+](C)CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028978617	0	44	0.0	-64.38	352.18	1.61	-62.77
CC[N@@H+](C)CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028978617	1	44	0.0	-64.09	352.49	1.68	-62.41
CC(C)(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300028978661	0	51	0.0	-72.21	376.70	3.38	-68.83
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1	REAL300028978664	0	55	0.0	-64.91	417.89	4.26	-60.65
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1	REAL300028978664	1	55	0.0	-64.55	416.86	4.25	-60.30
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300028978682	0	46	0.0	-60.21	350.41	2.03	-58.18
C[NH+]1CCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028978785	0	45	0.0	-64.81	357.64	2.03	-62.78
CC(C)[C@H](C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028978806	0	47	0.0	-58.34	355.74	1.96	-56.38
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[NH+](CC3CC3)CC2)C1	REAL300028978914	0	52	0.0	-65.16	406.82	4.24	-60.92
CC[NH+](CC)CC(F)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028978967	0	47	0.0	-66.30	370.99	2.15	-64.15
C[NH+](C)CC1=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)SC=C1	REAL300028978968	0	45	0.0	-60.16	373.48	2.79	-57.37
CC(C)C[N@@H+]1CCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028979018	0	51	0.0	-64.82	395.73	3.28	-61.54
CC(C)C[N@H+]1CCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028979018	1	51	0.0	-63.34	394.47	3.24	-60.10
C[NH+](C)C1(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300028979022	0	45	0.0	-66.12	343.39	1.55	-64.57
CCC(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300028979063	0	50	0.0	-56.12	378.22	2.73	-53.39
CC1CCC[N@@H+]1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028979096	0	45	0.0	-59.50	350.72	1.75	-57.75
CC1CCC[N@H+]1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028979096	1	45	0.0	-59.48	350.73	1.74	-57.74
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028979208	1	49	0.0	-58.86	397.85	3.61	-55.25
CC(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300028979216	0	51	0.0	-58.58	381.77	2.84	-55.74
CC(C)[N@@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028979219	0	51	0.0	-57.03	376.79	2.76	-54.27
CC(C)[N@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028979219	1	51	0.0	-59.18	374.91	2.66	-56.52
CC(C)[N@@H+]1CCCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028979255	0	48	0.0	-58.13	370.31	2.52	-55.61
CC(C)[N@H+]1CCCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028979255	1	48	0.0	-61.95	363.10	2.79	-59.16
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@@H+]2C2CCOCC2)C1	REAL300028979264	0	53	0.0	-61.42	403.08	1.92	-59.50
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@H+]2C2CCOCC2)C1	REAL300028979264	1	53	0.0	-62.49	401.79	1.84	-60.65
C[NH+](C)C(CN1C=CC=N1)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028979266	1	48	0.0	-65.53	385.33	2.22	-63.31
CC(C)[N@@H+]1CCCC1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028979273	0	51	0.0	-61.58	389.20	3.03	-58.55
CC(C)[N@H+]1CCCC1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028979273	1	51	0.0	-61.81	394.17	3.04	-58.77
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1	REAL300028979274	0	52	0.0	-58.86	396.02	3.81	-55.05
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@H+]2C2CCCC2)C1	REAL300028979274	1	52	0.0	-60.59	397.72	3.73	-56.86
CC(C)[C@@H](C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028979304	0	47	0.0	-63.45	352.81	2.77	-60.68
CC1CC[N@H+](CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028979342	0	45	0.0	-61.45	358.21	2.10	-59.35
CC1CC[N@@H+](CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028979342	1	45	0.0	-61.33	358.43	2.21	-59.12
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028979343	0	51	0.0	-64.35	392.67	2.65	-61.70
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028979343	1	51	0.0	-63.69	391.93	2.70	-60.99
CC1=[NH+]C=C2CC(C(=O)N3CC(C)(NC(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300028979345	1	47	0.0	-63.36	378.78	3.03	-60.33
C[NH+](C)CCC1=CC=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300028979347	0	51	0.0	-72.46	408.13	4.33	-68.13
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1	REAL300028979349	0	48	0.0	-61.16	377.35	2.61	-58.55
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1	REAL300028979349	1	48	0.0	-60.85	377.09	2.62	-58.23
C[N@H+](CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300028979350	0	50	0.0	-61.90	379.89	2.78	-59.12
C[N@@H+](CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300028979350	1	50	0.0	-61.96	381.86	2.94	-59.02
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028979351	0	51	0.0	-66.27	411.31	4.90	-61.37
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028979351	1	51	0.0	-65.96	411.22	4.83	-61.13
CC[C@@H](C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028979363	0	44	0.0	-62.72	344.80	1.60	-61.12
CC(COCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300028979371	0	52	0.0	-64.45	410.72	3.18	-61.27
C[N@@H+]1C[C@H](C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300028979384	0	52	0.0	-75.82	415.71	4.69	-71.13
C[N@H+]1C[C@H](C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300028979384	1	52	0.0	-74.36	413.77	4.64	-69.72
CN(CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300028979557	0	47	0.0	-58.51	387.12	2.12	-56.39
CC1=[NH+]C=CN1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028979698	1	40	0.0	-59.16	341.79	2.05	-57.11
CC(C[NH+]1CCOCC1)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028979700	0	49	0.0	-64.95	381.08	0.96	-63.99
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC[NH+]2CCCCC2)C1	REAL300028979723	0	51	0.0	-64.53	397.89	3.70	-60.83
C[NH+](C)CC1=CC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300028979749	1	44	0.0	-73.07	369.23	1.51	-71.56
CC1=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300028979751	0	43	0.0	-69.96	364.65	4.18	-65.78
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028979815	1	46	0.0	-58.29	378.14	3.18	-55.11
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300028979880	0	49	0.0	-56.10	374.34	3.00	-53.10
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300028979880	1	49	0.0	-56.10	374.11	3.00	-53.10
CC[N@@H+]1CCOC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028979930	1	46	0.0	-55.63	355.70	1.25	-54.38
CC[N@H+]1CCOC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028979930	1	46	0.0	-70.43	358.02	1.20	-69.23
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300028980024	0	40	0.0	-66.02	337.41	3.51	-62.51
CC1=C[NH+]=CN1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028980029	1	40	0.0	-64.12	342.15	2.79	-61.33
C[NH+](C)CCN1C=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300028980035	0	48	0.0	-73.37	391.63	1.62	-71.75
C[NH+](C)CCN1C=CC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300028980052	0	48	0.0	-73.12	394.73	2.00	-71.12
C[C@@H]1[C@H](C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028980060	0	45	0.0	-68.63	348.49	1.41	-67.22
C[C@@H]1[C@H](C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028980060	1	45	0.0	-60.59	354.01	2.05	-58.54
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028980064	1	49	0.0	-58.45	398.35	3.67	-54.78
CC[C@@H]1[C@@H](C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028980067	0	48	0.0	-66.80	368.73	2.10	-64.70
CC[C@@H]1[C@@H](C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028980067	1	48	0.0	-63.08	372.42	2.38	-60.70
CC1CCC(C)[NH+]1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028980099	0	48	0.0	-58.63	369.56	2.47	-56.16
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC[NH+]2CCCC2)C1	REAL300028980110	0	48	0.0	-64.51	382.22	2.99	-61.52
C[NH+](C)CC1=CC=CC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300028980111	0	48	0.0	-67.48	385.63	3.48	-64.00
C#CC[NH+]1CCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028980122	0	47	0.0	-69.03	379.55	3.03	-66.00
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[NH+]2CCCCC2)C1	REAL300028980124	0	48	0.0	-63.56	376.08	2.82	-60.74
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028980129	0	48	0.0	-53.04	383.10	3.50	-49.54
CC[N@@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028980141	0	48	0.0	-60.05	358.64	2.22	-57.83
CC[N@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028980141	1	48	0.0	-55.95	371.30	2.59	-53.36
CC(C)C(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300028980142	0	54	0.0	-60.00	395.48	4.25	-55.75
C[NH+](C)C(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300028980145	1	48	0.0	-64.37	382.55	3.76	-60.61
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2C=[NH+]C3=C2CCCC3)C1	REAL300028980155	1	47	0.0	-59.39	383.65	4.44	-54.95
C[NH+](C)CC1(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CCCCC1	REAL300028980203	0	54	0.0	-54.00	386.64	3.85	-50.15
C[NH+](C)CCC1=CC=CC=C1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028980204	0	51	0.0	-55.74	405.58	4.28	-51.46
C[N@H+](CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300028980211	0	54	0.0	-64.88	410.81	4.06	-60.82
C[N@@H+](CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300028980211	1	54	0.0	-64.14	410.49	3.98	-60.16
C[NH+](C)C1(CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300028980215	0	51	0.0	-65.22	376.03	2.89	-62.33
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=NN1	REAL300028980232	1	49	0.0	-73.59	390.25	1.21	-72.38
C[N@H+]1CCCC1C1=CC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=NN1	REAL300028980232	1	49	0.0	-69.38	388.92	1.02	-68.36
C[N@H+](CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300028980505	0	45	0.0	-59.85	358.27	2.44	-57.41
C[N@@H+](CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300028980505	1	45	0.0	-60.70	358.63	2.43	-58.27
CC(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300028980547	0	51	0.0	-58.06	371.50	2.22	-55.84
CC[NH+](CC)CC1=CC=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028980564	0	51	0.0	-66.80	405.89	3.31	-63.49
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300028980569	0	51	0.0	-65.82	403.72	3.77	-62.05
C[N@H+](CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300028980572	1	48	0.0	-65.21	388.83	4.05	-61.16
C[N@@H+](CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300028980572	1	48	0.0	-65.44	389.10	4.04	-61.40
C[NH+]1CCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028980590	0	45	0.0	-64.81	357.64	2.03	-62.78
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028980675	0	42	0.0	-64.14	331.22	0.86	-63.28
C[N@H+]1CCC[C@@H]1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028980675	1	42	0.0	-60.89	333.66	1.35	-59.54
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028980697	1	44	0.0	-61.40	357.90	2.09	-59.31
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028980697	1	44	0.0	-60.63	360.78	2.59	-58.04
C[N@@H+]1CCCC1CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028980710	0	48	0.0	-67.02	375.63	2.74	-64.28
C[N@H+]1CCCC1CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028980710	1	48	0.0	-65.08	374.13	2.51	-62.57
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300028980729	0	49	0.0	-65.93	362.35	2.22	-63.71
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300028980737	0	49	0.0	-56.99	379.26	3.36	-53.63
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300028980737	1	49	0.0	-56.76	372.56	2.93	-53.83
CCC[N@@H+]1CCCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028980854	0	51	0.0	-70.51	396.13	3.39	-67.12
CCC[N@H+]1CCCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028980854	1	51	0.0	-62.80	393.52	3.19	-59.61
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300028980867	0	55	0.0	-56.87	408.54	4.22	-52.65
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300028980867	1	55	0.0	-58.40	404.02	4.08	-54.32
CC(C)[N@@H+]1CCOC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028980880	0	49	0.0	-54.92	368.51	1.53	-53.39
CC(C)[N@H+]1CCOC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028980880	1	49	0.0	-64.26	379.51	1.86	-62.40
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028980904	0	52	0.0	-63.80	388.51	1.20	-62.60
C[N@@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028980927	0	45	0.0	-61.55	353.95	2.03	-59.52
C[N@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028980927	1	45	0.0	-61.68	353.73	1.95	-59.73
CC(C)C[N@@H+]1CCCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028980965	0	51	0.0	-57.85	390.10	2.97	-54.88
CC(C)C[N@H+]1CCCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028980965	1	51	0.0	-61.84	384.47	3.80	-58.04
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300028980987	0	49	0.0	-63.09	385.81	-0.38	-63.47
C[NH+]1C2CCC1CC(=CC(=O)N1CC(C)(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028981033	0	50	0.0	-66.62	385.00	3.38	-63.24
CC1C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300028981055	0	45	0.0	-60.09	350.77	1.47	-58.62
CC1C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300028981055	1	45	0.0	-61.18	349.59	1.70	-59.48
C[N@@H+]1CCCCC1CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028981059	0	51	0.0	-67.33	386.25	3.21	-64.12
C[N@H+]1CCCCC1CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028981059	1	51	0.0	-62.40	386.02	3.12	-59.28
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC3=C(CCC3)[NH+]=C2N)C1	REAL300028981105	1	45	0.0	-55.50	365.34	1.20	-54.30
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028981201	0	48	0.0	-59.27	358.77	1.10	-58.17
CC(C)(C)[N@H+]1CCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028981201	1	48	0.0	-60.10	373.73	2.18	-57.92
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCN(C3=CC=[NH+]C=C3)C2)C1	REAL300028981222	0	48	0.0	-67.02	384.14	0.81	-66.21
C[NH+](C)CC1=CC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=CC=N1	REAL300028981249	1	47	0.0	-64.78	381.60	2.06	-62.72
C=CCC(C)(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028981255	0	48	0.0	-57.90	359.68	2.06	-55.84
CC[NH+](CC)CCSCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028981294	0	51	0.0	-67.83	414.99	3.76	-64.07
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(N)C3=CC=CC=C3[NH+]=C2)C1	REAL300028981295	1	44	0.0	-58.84	362.81	0.63	-58.21
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[NH+]2CCCC2)C1	REAL300028981300	0	45	0.0	-63.74	360.72	2.19	-61.55
C[N@H+](CCO)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028981308	1	42	0.0	-63.86	340.17	-2.18	-66.04
C[N@@H+](CCO)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028981308	1	42	0.0	-61.91	340.05	-2.09	-64.00
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300028981358	0	48	0.0	-72.82	360.35	-0.23	-73.05
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300028981358	1	48	0.0	-61.83	361.54	0.14	-61.69
CC(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300028981406	1	46	0.0	-61.70	370.85	2.43	-59.27
C[N@H+]1CC=C(CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028981467	0	46	0.0	-65.44	371.43	2.80	-62.64
C[N@@H+]1CC=C(CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028981467	1	46	0.0	-64.47	371.31	2.79	-61.68
C[NH+]1CC(N2CC(C(=O)N3CC(C)(NC(=O)C4=CC(=O)[N-]O4)C3)CC2=O)C1	REAL300028981481	1	50	0.0	-69.05	398.71	1.08	-67.97
C[S+](C)CCC(O)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028981489	0	44	0.0	-71.87	374.87	-0.05	-71.92
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028981522	0	46	0.0	-56.03	349.63	-2.07	-58.10
C[N@H+]1CC(O)CC1(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028981522	1	46	0.0	-61.16	357.15	-1.91	-63.07
CN1CC[N@H+](C)CC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028981540	0	50	0.0	-63.26	378.91	0.39	-62.87
CN1CC[N@@H+](C)CC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028981540	1	50	0.0	-62.90	377.72	0.28	-62.62
CC(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300028981541	0	49	0.0	-60.34	382.92	-0.63	-60.97
CC(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300028981541	1	49	0.0	-61.88	382.42	-0.67	-62.55
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(N)[NH+]=CC3=C2CCC3)C1	REAL300028981579	0	45	0.0	-64.83	372.62	1.19	-63.64
C[N@@H+]1CCCC(O)(CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028981589	0	49	0.0	-58.44	372.97	0.65	-57.79
C[N@H+]1CCCC(O)(CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028981589	1	49	0.0	-57.83	382.68	0.85	-56.98
CC1C[NH+](CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028981596	1	42	0.0	-62.39	343.47	1.54	-60.85
CC[N@@H+]1CCCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028981604	0	48	0.0	-64.44	375.18	2.58	-61.86
CC[N@H+]1CCCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028981604	1	48	0.0	-59.73	365.70	2.63	-57.10
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=CC=C[NH+]=C2N)C1	REAL300028981620	0	41	0.0	-59.35	346.63	0.26	-59.09
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300028981636	0	46	0.0	-57.70	368.77	2.93	-54.77
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300028981636	1	46	0.0	-56.41	361.76	2.25	-54.16
CC1C[N@@H+](C2CCC2C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CCO1	REAL300028981673	0	53	0.0	-55.05	406.56	2.40	-52.65
CC1C[N@H+](C2CCC2C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CCO1	REAL300028981673	1	53	0.0	-65.85	415.88	2.32	-63.53
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(C[NH+]3CCCC3)O2)C1	REAL300028981694	0	49	0.0	-67.89	399.97	3.33	-64.56
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300028981701	0	46	0.0	-67.73	372.52	2.65	-65.08
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300028981735	0	49	0.0	-75.08	382.09	3.21	-71.87
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300028981878	1	44	0.0	-59.91	351.56	2.35	-57.56
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300028981878	1	44	0.0	-60.68	351.11	2.32	-58.36
CC1=CC=C(NCCC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)[NH+]=C1	REAL300028981905	1	47	0.0	-60.72	391.26	1.86	-58.86
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(C[NH+]3CCCC3)CCCC2)C1	REAL300028981962	0	55	0.0	-52.40	404.63	3.93	-48.47
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[NH+]3CCN2CC3)C1	REAL300028981993	0	45	0.0	-73.23	346.83	-1.24	-74.47
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300028982065	0	49	0.0	-59.86	364.89	2.60	-57.26
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[N@H+]2CCCC3)C1	REAL300028982065	1	49	0.0	-59.69	363.50	2.43	-57.26
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300028982077	0	47	0.0	-64.29	346.69	2.05	-62.24
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300028982077	1	47	0.0	-57.77	357.89	2.33	-55.44
CC(OCC[NH+](C)C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028982093	0	48	0.0	-61.04	385.57	2.10	-58.94
C[NH+](C)CCOCCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028982107	0	48	0.0	-66.45	389.21	1.27	-65.18
COCC[N@H+](C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028982109	1	45	0.0	-61.44	362.31	0.31	-61.13
COCC[N@@H+](C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028982109	1	45	0.0	-63.81	362.42	0.22	-63.59
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[NH+](C3CCOC3)C2)C1	REAL300028982112	0	47	0.0	-66.13	379.03	0.84	-65.29
CC(CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028982118	0	47	0.0	-63.90	369.75	2.22	-61.68
C[NH+]1CCC(=CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028982149	0	46	0.0	-65.82	365.49	2.72	-63.10
CC[N@H+](CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028982164	0	45	0.0	-58.34	361.29	2.42	-55.92
CC[N@@H+](CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028982164	1	45	0.0	-60.33	353.74	2.37	-57.96
C[NH+](C)C1(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CCCSC1	REAL300028982169	0	49	0.0	-68.54	370.52	2.72	-65.82
CC1C[N@@H+]2CCN1C(C(=O)N1CC(C)(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028982184	0	48	0.0	-73.60	363.85	-0.69	-74.29
CC1C[N@H+]2CCN1C(C(=O)N1CC(C)(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028982184	1	48	0.0	-61.51	361.80	-0.78	-62.29
C[N@@H+]1CC2CC1(C(=O)N1CC(C)(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028982225	0	43	0.0	-57.40	340.48	1.57	-55.83
C[N@H+]1CC2CC1(C(=O)N1CC(C)(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028982225	1	43	0.0	-60.38	337.26	1.56	-58.82
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028982239	1	45	0.0	-64.17	377.11	1.11	-63.06
CC1=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C=NN1CC[NH+](C)C	REAL300028982246	0	51	0.0	-74.22	407.45	2.11	-72.11
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300028982249	0	46	0.0	-60.54	356.68	2.29	-58.25
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300028982249	1	46	0.0	-58.66	356.45	2.29	-56.37
CC(C)[NH+]1CCC(CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028982270	0	54	0.0	-64.33	406.27	3.79	-60.54
CC(C[NH+](C)C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028982287	0	44	0.0	-65.32	349.76	1.54	-63.78
C[N@@H+]1CC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C(C(F)(F)F)C1	REAL300028982305	0	45	0.0	-63.96	374.22	2.07	-61.89
C[N@H+]1CC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C(C(F)(F)F)C1	REAL300028982305	1	45	0.0	-69.46	363.61	2.11	-67.35
C[NH+](C)C1(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028982309	0	42	0.0	-58.51	338.48	1.20	-57.31
CC[N@@H+]1CCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028982354	1	42	0.0	-61.80	334.84	0.89	-60.91
CC[N@H+]1CCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028982354	1	42	0.0	-61.63	343.69	1.35	-60.28
CC(C)[N@@H+]1CCCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028982375	0	51	0.0	-65.03	382.67	3.05	-61.98
CC(C)[N@H+]1CCCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028982375	1	51	0.0	-61.35	388.68	2.97	-58.38
CN1C=C[NH+]=C1N1CCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028982377	1	49	0.0	-60.36	390.61	2.94	-57.42
CCC(C)(C)[NH2+]C(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028982406	0	50	0.0	-60.25	377.24	0.92	-59.33
C#CC[N@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028982470	1	47	0.0	-60.35	366.25	2.81	-57.54
C#CC[N@@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028982470	1	47	0.0	-60.06	379.21	3.21	-56.85
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028982474	1	44	0.0	-57.03	361.25	1.01	-56.02
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C[NH+]=CC=C2N)C1	REAL300028982476	0	38	0.0	-64.12	320.01	-1.58	-65.70
C[NH+](C)C(CC1=CC=CC=C1)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028982482	0	51	0.0	-62.45	400.15	4.36	-58.09
CCCC(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028982493	0	47	0.0	-59.61	366.46	2.35	-57.26
C[NH+](C)C(C)(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028982503	0	44	0.0	-64.75	335.01	1.42	-63.33
CC(CC[NH+](C)C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028982531	0	47	0.0	-68.25	373.82	2.23	-66.02
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1	REAL300028982604	0	52	0.0	-72.91	379.62	3.00	-69.91
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1	REAL300028982604	1	52	0.0	-60.21	387.15	3.71	-56.50
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300028982645	0	47	0.0	-58.37	365.25	2.59	-55.78
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300028982645	1	47	0.0	-58.52	365.70	2.51	-56.01
COCCCC[N@H+](C)CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028982702	0	54	0.0	-68.42	429.16	2.26	-66.16
COCCCC[N@@H+](C)CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028982702	1	54	0.0	-68.28	428.84	2.21	-66.07
C[NH+](C)C12CCC(C(=O)N3CC(C)(NC(=O)C4=CC(=O)[N-]O4)C3)(CC1)CC2	REAL300028982708	0	55	0.0	-68.57	394.73	3.22	-65.35
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028982717	0	48	0.0	-58.29	377.27	2.38	-55.91
C[N@H+]1CC(C)(C)CC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028982717	1	48	0.0	-63.90	371.94	2.01	-61.89
C[NH+](C)CCCCCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028982723	0	50	0.0	-67.60	398.94	3.31	-64.29
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[NH+]2CCC(O)CC2)C1	REAL300028982729	0	49	0.0	-66.43	387.17	-0.53	-66.96
CCC[N@@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028982735	0	51	0.0	-58.75	381.62	2.96	-55.79
CCC[N@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028982735	1	51	0.0	-60.10	380.44	3.02	-57.08
CC[NH+]1CCN(CCC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028982745	0	53	0.0	-64.95	410.78	1.13	-63.82
CCN1CC[NH+](CCC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028982745	1	53	0.0	-64.94	411.00	1.12	-63.82
C[NH+]1CCN(CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028982748	1	47	0.0	-67.22	371.19	-0.06	-67.28
CC(C)C[NH+]1CCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028982901	0	54	0.0	-67.89	410.85	3.92	-63.97
CC1C[N@H+](C)CC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028982905	1	46	0.0	-76.30	361.24	1.04	-75.26
CC1C[N@@H+](C)CC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028982905	1	46	0.0	-76.04	361.00	1.10	-74.94
CCC1CCC[N@H+](CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028982949	0	51	0.0	-61.73	386.00	3.45	-58.28
CCC1CCC[N@@H+](CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028982949	1	51	0.0	-61.44	386.00	3.45	-57.99
C[NH+](C)CC1=CC=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300028982961	0	46	0.0	-73.99	374.42	1.86	-72.13
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300028982987	0	43	0.0	-61.42	347.86	2.33	-59.09
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2([NH+]3CCCC3)CC2)C1	REAL300028983012	0	49	0.0	-60.26	377.28	3.22	-57.04
CC([NH2+]C1(CO)CCCC1)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028983037	0	52	0.0	-62.66	395.50	-1.52	-64.18
C[N@@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028983078	0	45	0.0	-61.55	353.95	2.03	-59.52
C[N@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028983078	1	45	0.0	-61.68	353.73	1.95	-59.73
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@@H+]2CC2=CC=CC=C2)C1	REAL300028983087	1	49	0.0	-64.12	403.87	4.46	-59.66
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@H+]2CC2=CC=CC=C2)C1	REAL300028983087	1	49	0.0	-62.91	393.56	4.08	-58.83
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028983094	0	54	0.0	-60.59	401.90	4.04	-56.55
CC(C)C[N@H+]1CCCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028983094	1	54	0.0	-67.05	404.80	3.89	-63.16
C[NH+](C)C1CCN(CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028983180	0	53	0.0	-67.92	405.50	1.15	-66.77
C[N@@H+]1CCC(=CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028983271	0	43	0.0	-68.76	349.82	2.02	-66.74
C[N@H+]1CCC(=CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028983271	1	43	0.0	-67.92	351.00	2.01	-65.91
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300028983279	0	41	0.0	-63.89	348.11	-0.27	-64.16
CC[NH+]1CCN(CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028983355	0	50	0.0	-65.80	388.42	0.58	-65.22
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=C2C[NH+]3CCC2CC3)C1	REAL300028983360	0	47	0.0	-63.68	368.41	2.86	-60.82
C[NH+](C)C1(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300028983419	0	48	0.0	-56.53	351.95	2.58	-53.95
C[N@H+](CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300028983435	0	49	0.0	-58.92	382.98	-0.15	-59.07
C[N@@H+](CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300028983435	1	49	0.0	-60.76	383.38	-0.35	-61.11
CCC1C[NH+](CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028983443	1	45	0.0	-62.99	364.63	2.27	-60.72
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[NH+](C3CCOCC3)C2)C1	REAL300028983447	0	50	0.0	-64.73	395.67	1.41	-63.32
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300028983450	0	49	0.0	-58.20	366.35	2.64	-55.56
C[N@@H+]1CCC[C@H]1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028983467	0	42	0.0	-59.55	337.93	1.39	-58.16
C[N@H+]1CCC[C@H]1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028983467	1	42	0.0	-64.07	331.52	0.96	-63.11
CC[N@@H+]1CCOCC1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028983512	0	49	0.0	-63.41	375.75	0.68	-62.73
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)NC3=C2CCC[NH2+]3)C1	REAL300028983521	0	46	0.0	-73.21	379.90	-0.10	-73.31
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[NH+](C3CCCCC3)C2)C1	REAL300028983545	0	52	0.0	-62.95	404.43	3.80	-59.15
COC1C[N@@H+]2CCCC2(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028983567	0	50	0.0	-62.33	386.38	0.93	-61.40
COC1C[N@H+]2CCCC2(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028983567	1	50	0.0	-62.33	386.38	0.93	-61.40
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C3NC(N)=NC3=C2)C1	REAL300028983649	0	42	0.0	-64.75	351.66	1.26	-63.49
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C3NC(N)=[NH+]C3=C2)C1	REAL300028983649	1	42	0.0	-64.75	351.66	1.26	-63.49
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028983711	0	45	0.0	-61.32	361.66	2.19	-59.13
C[NH+](C)CCC1(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300028983727	0	54	0.0	-52.02	405.70	3.53	-48.49
CC1CCCC(C)[NH+]1CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028983729	0	54	0.0	-60.23	406.09	3.52	-56.71
C[NH+](C)C1CCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028983732	0	51	0.0	-67.65	381.52	2.89	-64.76
C[NH+](C)CCC1(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028983733	0	48	0.0	-51.74	380.81	2.72	-49.02
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028983738	0	51	0.0	-73.33	381.43	2.93	-70.40
C[N@@H+]1CC=CCC1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028983739	0	46	0.0	-64.55	363.39	2.52	-62.03
C[N@H+]1CC=CCC1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028983739	1	46	0.0	-64.41	363.32	2.43	-61.98
CC1=CC(C=CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=C[NH+]=C1N	REAL300028983817	1	45	0.0	-65.06	377.31	1.42	-63.64
C[NH+](C)CCOCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028983834	0	45	0.0	-63.46	368.26	1.57	-61.89
CCCCC[N@H+](C)CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028983842	0	53	0.0	-65.72	416.99	3.97	-61.75
CCCCC[N@@H+](C)CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028983842	1	53	0.0	-65.52	416.67	3.92	-61.60
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028983859	0	49	0.0	-67.19	390.54	2.33	-64.86
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2C=CSC2=[NH2+])C1	REAL300028983893	0	38	0.0	-60.10	339.45	0.63	-59.47
C[C@@H](OCC[NH+](C)C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028984014	0	48	0.0	-61.13	385.34	2.09	-59.04
C[NH+]1CCC(O)(C2(C(=O)N3CC(C)(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300028984019	0	53	0.0	-55.81	402.07	1.25	-54.56
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[NH+]2CCCCCC2)C1	REAL300028984112	0	51	0.0	-65.64	386.39	3.07	-62.57
C[N@@H+]1CCCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028984120	0	45	0.0	-65.50	352.09	1.77	-63.73
C[N@H+]1CCCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028984120	1	45	0.0	-65.50	352.09	1.77	-63.73
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCCCCC2)C1	REAL300028984128	0	48	0.0	-60.40	363.47	2.51	-57.89
CN1C=C[N+](CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300028984135	0	40	0.0	-61.92	343.63	3.96	-57.96
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028984157	0	54	0.0	-61.50	398.77	3.00	-58.50
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028984157	1	54	0.0	-61.50	398.77	3.00	-58.50
CN(C)CC1=CC=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028984163	0	45	0.0	-67.83	373.55	2.11	-65.72
C[NH+](C)CC1=CC=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300028984163	1	45	0.0	-67.83	373.55	2.11	-65.72
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2CCC(O)CC2)C1	REAL300028984196	0	46	0.0	-65.31	365.21	-1.03	-66.34
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300028984196	1	46	0.0	-65.31	365.21	-1.03	-66.34
C[N@H+](CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300028984204	0	42	0.0	-60.20	341.82	1.86	-58.34
CC(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)N1CCN(C)CC1	REAL300028984206	0	50	0.0	-69.07	389.44	0.41	-68.66
CC(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300028984206	1	50	0.0	-69.07	389.44	0.41	-68.66
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[N@@H+]2CCC(F)C2)C1	REAL300028984214	0	45	0.0	-65.83	366.65	2.18	-63.65
COC1C[N@H+](C)C(C)(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028984233	0	49	0.0	-55.41	368.22	1.10	-54.31
C[NH+](C)CCC1=CC=CC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300028984256	0	51	0.0	-69.47	408.13	4.32	-65.15
CC(CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300028984263	0	47	0.0	-66.74	369.37	2.40	-64.34
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300028984289	0	47	0.0	-63.34	366.60	0.73	-62.61
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@H+]3CCOCC23)C1	REAL300028984289	1	47	0.0	-63.34	366.60	0.73	-62.61
CN1CCOCC1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028984324	0	46	0.0	-68.78	362.68	0.19	-68.59
C[N@@H+]1CCOCC1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028984324	1	46	0.0	-57.04	355.30	0.14	-56.90
C[N@H+]1CCOCC1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028984324	1	46	0.0	-57.04	355.30	0.14	-56.90
C[NH+](C)CC(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300028984336	0	51	0.0	-68.81	405.85	4.28	-64.53
CC1=CC(N)=NC=C1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028984420	0	41	0.0	-64.14	340.77	-0.27	-64.41
CC1=CC(N)=[NH+]C=C1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028984420	1	41	0.0	-64.14	340.77	-0.27	-64.41
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(CC[NH+]3CCCCC3)CC2)C1	REAL300028984455	0	55	0.0	-55.74	430.20	4.86	-50.88
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+]2CCC(C)(O)C2)C1	REAL300028984497	0	46	0.0	-61.00	367.91	-1.23	-62.23
C[NH+](C)CCN1N=CC=C1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028984508	0	48	0.0	-62.55	388.15	1.61	-60.94
C[NH+]1CC(CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028984550	0	42	0.0	-66.37	343.68	1.28	-65.09
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300028984556	0	49	0.0	-60.59	377.07	2.82	-57.77
C[N@H+](CCO)CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028984616	0	45	0.0	-64.57	362.79	-1.53	-66.10
C[N@@H+](CCO)CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028984616	1	45	0.0	-64.57	362.79	-1.53	-66.10
C[N@@H+]1CCCCC1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028984642	0	48	0.0	-65.58	371.41	2.64	-62.94
C[N@H+]1CCCCC1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028984642	1	48	0.0	-65.58	371.41	2.64	-62.94
CC1=C2C=C(C(=O)N3CC(C)(NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=N1	REAL300028984677	0	43	0.0	-67.09	359.61	4.01	-63.08
CC1=C2C=C(C(=O)N3CC(C)(NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300028984677	1	43	0.0	-67.09	359.61	4.01	-63.08
CC1CCN1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028984684	0	42	0.0	-60.18	343.70	1.53	-58.65
CC1CC[N@@H+]1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028984684	1	42	0.0	-61.76	343.49	1.54	-60.22
CC1CC[N@H+]1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028984684	1	42	0.0	-61.76	343.49	1.54	-60.22
C[NH+](C)CC=CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028984705	0	42	0.0	-69.26	348.12	1.65	-67.61
CC1(C)CN(CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028984723	0	45	0.0	-61.75	362.55	2.03	-59.72
CC1(C)C[NH+](CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028984723	1	45	0.0	-61.75	362.55	2.03	-59.72
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCCC[NH+]2CCCCC2)C1	REAL300028984738	0	54	0.0	-65.75	419.39	4.47	-61.28
CC1=C(C)NC(CCC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300028984755	0	46	0.0	-58.94	383.26	1.72	-57.22
CC1=C(C)[NH+]=C(CCC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300028984755	1	46	0.0	-58.94	383.26	1.72	-57.22
CN1CCC2=C(C1)SC(C(=O)N1CC(C)(NC(=O)C3=CC(=O)[N-]O3)C1)=C2	REAL300028984756	0	46	0.0	-72.44	381.99	3.15	-69.29
C[N@@H+]1CCC2=C(C1)SC(C(=O)N1CC(C)(NC(=O)C3=CC(=O)[N-]O3)C1)=C2	REAL300028984756	1	46	0.0	-73.26	382.03	3.15	-70.11
C[N@H+]1CCC2=C(C1)SC(C(=O)N1CC(C)(NC(=O)C3=CC(=O)[N-]O3)C1)=C2	REAL300028984756	1	46	0.0	-73.26	382.03	3.15	-70.11
C[NH+]1CCC(C2(C(=O)N3CC(C)(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300028984770	0	52	0.0	-73.69	400.81	3.88	-69.81
CC1=C2C=C(C(=O)N3CC(C)(NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=N1	REAL300028984781	0	43	0.0	-67.09	359.61	4.01	-63.08
CC1=C2C=C(C(=O)N3CC(C)(NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300028984781	1	43	0.0	-67.09	359.61	4.01	-63.08
C[NH+](C)CCSCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028984797	0	45	0.0	-70.15	379.29	2.39	-67.76
CC(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300028984818	0	51	0.0	-63.38	406.96	4.35	-59.03
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC3=C(CCCC3)N=C2N)C1	REAL300028984822	0	48	0.0	-55.49	382.53	1.78	-53.71
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC3=C(CCCC3)[NH+]=C2N)C1	REAL300028984822	1	48	0.0	-55.49	382.53	1.78	-53.71
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+]2CCCC2CO)C1	REAL300028984831	0	46	0.0	-60.00	366.16	-1.15	-61.15
CC[NH+](CC)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028984834	0	44	0.0	-60.84	343.98	1.54	-59.30
C[N@H+](CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300028984851	0	46	0.0	-65.22	371.88	2.68	-62.54
C[N@@H+](CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300028984851	1	46	0.0	-68.06	371.67	2.69	-65.37
CC[NH+](CC)CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028984918	0	47	0.0	-63.27	365.99	2.12	-61.15
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCC(C(N)=O)CC2)C1	REAL300028984944	0	49	0.0	-73.86	390.04	-1.01	-74.87
C[NH+](C)CC1=CNC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300028985004	0	46	0.0	-67.87	374.23	1.76	-66.11
CC(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300028985030	0	49	0.0	-61.70	373.14	-0.96	-62.66
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300028985039	0	47	0.0	-64.87	368.87	0.69	-64.18
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC3COCC[N@H+]3C2)C1	REAL300028985039	1	47	0.0	-64.90	368.48	0.60	-64.30
CC(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300028985061	1	42	0.0	-68.90	341.68	1.37	-67.53
CCC(CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300028985075	0	50	0.0	-65.98	383.90	2.93	-63.05
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=CC2=CC=C(N)[NH+]=C2)C1	REAL300028985084	0	42	0.0	-66.44	359.30	0.58	-65.86
C[NH+](C)CC(C)(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028985085	0	47	0.0	-64.23	353.55	1.70	-62.53
C[NH+](C)C(CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300028985132	0	51	0.0	-68.07	402.62	4.48	-63.59
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028985172	0	45	0.0	-63.06	340.70	1.59	-61.47
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028985172	1	45	0.0	-57.08	353.46	1.95	-55.13
CC1CN2CC[N@@H+]1CC2C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028985188	0	48	0.0	-58.98	361.68	-0.86	-59.84
CC1CN2CC[N@H+]1CC2C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028985188	1	48	0.0	-70.80	363.40	-0.78	-71.58
C[NH+](C)CC(O)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028985223	0	45	0.0	-68.70	364.87	-0.48	-69.18
C[NH+]1C2CCC1CC(C(=O)N1CC(C)(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028985226	0	49	0.0	-65.01	348.64	2.56	-62.45
C#CC1(O)CC[NH+](C(C)C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028985266	0	51	0.0	-60.52	405.18	0.22	-60.30
C=CCC(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300028985281	0	45	0.0	-59.12	358.97	2.12	-57.00
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300028985296	0	49	0.0	-61.64	377.74	3.05	-58.59
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300028985296	1	49	0.0	-61.80	378.92	3.10	-58.70
C[NH+]1CCC(C)(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028985314	0	48	0.0	-56.27	362.57	2.07	-54.20
C[NH+]1CCC(O)(CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028985320	0	49	0.0	-64.55	382.72	0.81	-63.74
COCC[N@@H+]1CCCC1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028985336	0	52	0.0	-62.99	408.78	2.04	-60.95
COCC[N@H+]1CCCC1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028985336	1	52	0.0	-61.27	410.37	1.82	-59.45
C[NH+]1C2CCC1CC(CC(=O)N1CC(C)(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300028985352	0	52	0.0	-69.47	378.05	2.92	-66.55
C[NH+](C)CCN1N=CC=C1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028985389	0	48	0.0	-69.24	389.99	1.74	-67.50
C[N@@H+]1CCC2=C(C1)SC(C(=O)NC1(C)CN(C(=O)C3=CC(=O)[N-]O3)C1)=C2	REAL300028985423	1	46	0.0	-75.24	384.29	3.41	-71.83
C[N@H+]1CCC2=C(C1)SC(C(=O)NC1(C)CN(C(=O)C3=CC(=O)[N-]O3)C1)=C2	REAL300028985423	1	46	0.0	-75.56	384.33	3.39	-72.17
C[NH+]1CCC(C2(C(=O)NC3(C)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300028985432	0	52	0.0	-63.63	398.42	4.09	-59.54
CC1=C2C=C(C(=O)NC3(C)CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300028985444	1	43	0.0	-69.28	362.49	4.40	-64.88
C[NH+](C)CCSCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028985457	0	45	0.0	-71.79	377.05	2.21	-69.58
CC1(NC(=O)C2CC3COCC[N@@H+]3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028985467	0	47	0.0	-66.68	368.55	0.68	-66.00
CC1(NC(=O)C2CC3COCC[N@H+]3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028985467	1	47	0.0	-63.08	368.57	0.62	-62.46
CN(CC1=CC=C(CNC(=O)C2CCC[N@@H+]2C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028985631	0	51	0.0	-71.01	404.65	4.60	-66.41
CN(CC1=CC=C(CNC(=O)C2CCC[N@H+]2C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028985631	1	51	0.0	-70.90	404.52	4.60	-66.30
CN(CC1=CC=C(CNC(=O)C2C[N@H+](C)CCO2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028985655	1	52	0.0	-83.98	420.78	4.48	-79.50
CN(CC1=CC=C(CNC(=O)C2C[N@@H+](C)CCO2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028985655	1	52	0.0	-78.48	413.67	4.33	-74.15
CC1=[NH+]C=CN1CC(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028985812	1	49	0.0	-70.15	414.01	5.67	-64.48
CN(CC1=CC=C(CNC(=O)C2C[NH+]3CCC2CC3)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028985828	0	55	0.0	-79.69	424.66	5.83	-73.86
C[C@@H]1[C@H](C(=O)NCC2=CC=C(CN(C)C(=O)C3=CC(=O)[N-]O3)C=C2)CC[N@@H+]1C	REAL300028985851	0	54	0.0	-74.07	421.86	5.47	-68.60
C[C@@H]1[C@H](C(=O)NCC2=CC=C(CN(C)C(=O)C3=CC(=O)[N-]O3)C=C2)CC[N@H+]1C	REAL300028985851	1	54	0.0	-74.67	427.55	5.29	-69.38
CN(CC1=CC=C(CNC(=O)C2([NH+](C)C)CCC2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028985900	0	54	0.0	-64.19	417.62	5.58	-58.61
CC(C)[C@@H](C(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1)[NH+](C)C	REAL300028985903	0	56	0.0	-69.64	429.14	5.59	-64.05
CN(CC1=CC=C(CNC(=O)C[N@H+](C)C2CCC2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028985918	0	54	0.0	-70.89	429.53	6.00	-64.89
CN(CC1=CC=C(CNC(=O)C[N@@H+](C)C2CCC2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028985918	1	54	0.0	-70.90	429.61	6.01	-64.89
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028985959	1	53	0.0	-69.51	431.39	5.81	-63.70
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028985959	1	53	0.0	-69.92	437.01	6.36	-63.56
CN(CC1=CC=C(CNC(=O)C2CC[NH+](C)CC2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028985976	0	54	0.0	-78.29	429.17	5.71	-72.58
CN(CC1=CC=C(CNC(=O)C2CCCC[N@@H+]2C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028985995	0	54	0.0	-71.07	416.42	5.48	-65.59
CN(CC1=CC=C(CNC(=O)C2CCCC[N@H+]2C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028985995	1	54	0.0	-68.84	426.49	5.65	-63.19
CC1=C[NH+]=CN1CC(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028986042	1	49	0.0	-72.12	414.34	6.40	-65.72
CN(CC1=CC=C(CNC(=O)C23CCC[NH+]2CCC3)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986056	0	55	0.0	-73.67	428.14	6.00	-67.67
CN(CC1=CC=C(CNC(=O)CC2CC[N@H+](C)C2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986059	0	54	0.0	-76.45	429.24	5.62	-70.83
CN(CC1=CC=C(CNC(=O)CC2CC[N@@H+](C)C2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986059	1	54	0.0	-76.22	431.11	5.65	-70.57
CCC(C(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1)[NH+](C)C	REAL300028986064	0	53	0.0	-70.13	414.10	5.12	-65.01
CN(CC1=CC=C(CNC(=O)CCCC[NH+](C)C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986100	0	56	0.0	-76.55	449.95	6.19	-70.36
CC(C)C(C(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1)[NH+](C)C	REAL300028986107	0	56	0.0	-69.22	429.89	5.64	-63.58
CCC[N@H+](C)CCC(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028986108	0	56	0.0	-75.58	444.99	6.00	-69.58
CCC[N@@H+](C)CCC(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028986108	1	56	0.0	-75.65	444.99	5.98	-69.67
CCC[N@H+](C)CC(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028986109	0	53	0.0	-73.07	422.63	5.45	-67.62
CCC[N@@H+](C)CC(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028986109	1	53	0.0	-72.91	423.81	5.46	-67.45
CN(CC1=CC=C(CNC(=O)C23CC[N@H+](C2)CCC3)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986116	0	55	0.0	-77.19	426.51	5.28	-71.91
CN(CC1=CC=C(CNC(=O)C23CC[N@@H+](C2)CCC3)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986116	1	55	0.0	-74.42	426.21	5.27	-69.15
CN(CC1=CC=C(CNC(=O)[C@H]2CCC[N@@H+]2C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986134	0	51	0.0	-69.24	410.52	5.03	-64.21
CN(CC1=CC=C(CNC(=O)[C@H]2CCC[N@H+]2C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986134	1	51	0.0	-73.03	404.69	4.58	-68.45
CC[NH+](CC)CC(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028986158	0	53	0.0	-71.05	420.02	5.38	-65.67
CN(CC1=CC=C(CNC(=O)C2(C[NH+](C)C)CC2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986223	0	54	0.0	-77.40	434.53	5.80	-71.60
CN(CC1=CC=C(CNC(=O)C2CC[NH+](C)CC2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986264	0	54	0.0	-78.29	429.17	5.71	-72.58
CC(C)[C@H](C(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1)[NH+](C)C	REAL300028986279	0	56	0.0	-72.21	433.61	6.21	-66.00
CC[N@H+](C)CCC(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028986332	0	53	0.0	-74.79	424.68	5.27	-69.52
CC[N@@H+](C)CCC(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028986332	1	53	0.0	-74.88	424.67	5.28	-69.60
CC1CCC[N@@H+]1CC(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028986352	0	54	0.0	-69.66	430.10	5.71	-63.95
CC1CCC[N@H+]1CC(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028986352	1	54	0.0	-70.18	429.23	5.83	-64.35
CC1CC[N@H+](CC(=O)NCC2=CC=C(CN(C)C(=O)C3=CC(=O)[N-]O3)C=C2)C1	REAL300028986353	0	54	0.0	-66.20	429.41	5.74	-60.46
CC1CC[N@@H+](CC(=O)NCC2=CC=C(CN(C)C(=O)C3=CC(=O)[N-]O3)C=C2)C1	REAL300028986353	1	54	0.0	-71.84	429.91	5.74	-66.10
CC[C@@H](C(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1)[NH+](C)C	REAL300028986358	0	53	0.0	-69.53	413.48	5.06	-64.47
CN(CC1=CC=C(CNC(=O)C[NH+](C)C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986418	0	47	0.0	-73.32	384.58	4.06	-69.26
CN(CC1=CC=C(CNC(=O)C[N+]2=CN(C)C=C2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986421	0	49	0.0	-71.30	414.62	7.54	-63.76
CN(CC1=CC=C(CNC(=O)C2CCC[N@H+](C)C2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986424	0	54	0.0	-74.12	427.98	5.64	-68.48
CN(CC1=CC=C(CNC(=O)C2CCC[N@@H+](C)C2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986424	1	54	0.0	-68.32	421.77	5.85	-62.47
CN(CC1=CC=C(CNC(=O)C2CCC[N@@H+]2C2CC2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986429	0	55	0.0	-68.02	441.98	6.57	-61.45
CN(CC1=CC=C(CNC(=O)C2CCC[N@H+]2C2CC2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986429	1	55	0.0	-67.28	439.29	6.53	-60.75
CC(C(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1)[NH+]1CCC1	REAL300028986439	1	51	0.0	-71.31	414.05	4.98	-66.33
CN(CC1=CC=C(CNC(=O)C(C)(C)C[NH+](C)C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986447	0	56	0.0	-71.39	432.01	5.72	-65.67
CN(CC1=CC=C(CNC(=O)C[N@H+](C)C2CC2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986455	0	51	0.0	-69.99	412.66	5.43	-64.56
CN(CC1=CC=C(CNC(=O)C[N@@H+](C)C2CC2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986455	1	51	0.0	-70.06	413.84	5.46	-64.60
CN(CC1=CC=C(CNC(=O)CC2C[NH+](C)C2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986468	0	51	0.0	-74.20	416.03	4.88	-69.32
C[C@@H](C(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1)[NH+](C)C	REAL300028986485	0	50	0.0	-70.66	402.24	4.49	-66.17
CN(CC1=CC=C(CNC(=O)CC[N@H+](C)CCO)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986532	0	54	0.0	-74.95	433.84	2.02	-72.93
CN(CC1=CC=C(CNC(=O)CC[N@@H+](C)CCO)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986532	1	54	0.0	-74.10	433.63	2.03	-72.07
C[C@@H](C(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1)[NH+](C)C	REAL300028986533	0	50	0.0	-70.66	402.24	4.49	-66.17
CN(CC1=CC=C(CNC(=O)[C@H]2CCCC[N@@H+]2C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986536	0	54	0.0	-69.67	426.00	5.69	-63.98
CN(CC1=CC=C(CNC(=O)[C@H]2CCCC[N@H+]2C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986536	1	54	0.0	-70.33	416.89	5.46	-64.87
CN(CC1=CC=C(CNC(=O)C[NH+]2CCC2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986574	1	48	0.0	-73.37	393.56	4.45	-68.92
CN(CC1=CC=C(CNC(=O)C=C2CC[N@H+](C)C2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986584	0	52	0.0	-77.64	422.31	5.57	-72.07
CN(CC1=CC=C(CNC(=O)C=C2CC[N@@H+](C)C2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986584	1	52	0.0	-77.36	422.25	5.57	-71.79
CN(CC1=CC=C(CNC(=O)COCC[NH+](C)C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986599	0	54	0.0	-74.41	440.46	5.11	-69.30
CC1CN(CC(=O)NCC2=CC=C(CN(C)C(=O)C3=CC(=O)[N-]O3)C=C2)C1	REAL300028986635	0	51	0.0	-72.96	414.66	5.12	-67.84
CC1C[NH+](CC(=O)NCC2=CC=C(CN(C)C(=O)C3=CC(=O)[N-]O3)C=C2)C1	REAL300028986635	1	51	0.0	-72.96	414.66	5.12	-67.84
CN(CCO)CC(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028986649	0	51	0.0	-73.20	412.67	1.49	-71.71
CN(CC1=CC=C(CNC(=O)C[N@H+](C)CCO)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986649	1	51	0.0	-73.18	412.44	1.53	-71.65
CN(CC1=CC=C(CNC(=O)C[N@@H+](C)CCO)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986649	1	51	0.0	-73.18	412.44	1.53	-71.65
CC(CC(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1)C[NH+](C)C	REAL300028986664	0	56	0.0	-77.40	441.62	6.08	-71.32
CC[N@H+](C)CC(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028986667	0	50	0.0	-72.63	401.13	4.69	-67.94
CC[N@H+](CC(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1)C1CC1	REAL300028986687	0	54	0.0	-70.05	430.29	6.05	-64.00
CC[NH+](CC)CCC(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028986694	0	56	0.0	-73.83	442.27	5.98	-67.85
CN(CC1=CC=C(CNC(=O)CN2CC(C)(C)C2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986706	0	54	0.0	-73.20	433.82	5.61	-67.59
CN(CC1=CC=C(CNC(=O)C[NH+]2CC(C)(C)C2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986706	1	54	0.0	-73.20	433.82	5.61	-67.59
CN(CC1=CC=C(CNC(=O)C=CC[NH+](C)C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986718	0	51	0.0	-77.62	420.55	5.26	-72.36
COCCN(C)CC(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028986731	0	54	0.0	-73.18	434.70	3.93	-69.25
COCC[N@H+](C)CC(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028986731	1	54	0.0	-73.38	434.91	3.89	-69.49
COCC[N@@H+](C)CC(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028986731	1	54	0.0	-73.38	434.91	3.89	-69.49
CC(CCC(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1)[NH+](C)C	REAL300028986748	0	56	0.0	-73.84	441.65	5.78	-68.06
CCN1CCC1C(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028986754	0	51	0.0	-70.76	409.54	4.80	-65.96
CC[N@@H+]1CCC1C(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028986754	1	51	0.0	-71.75	416.19	5.08	-66.67
CC[N@H+]1CCC1C(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028986754	1	51	0.0	-71.75	416.19	5.08	-66.67
C=CCC(C(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1)[NH+](C)C	REAL300028986787	0	54	0.0	-70.18	427.61	5.65	-64.53
CCCC(C(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1)[NH+](C)C	REAL300028986808	0	56	0.0	-70.94	435.60	5.88	-65.06
CN(CC1=CC=C(CNC(=O)C(C)(C)[NH+](C)C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986811	0	53	0.0	-75.47	412.05	5.20	-70.27
CN(CC1=CC=C(CNC(=O)C2CCCC[N@@H+]2C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986827	0	54	0.0	-68.84	426.49	5.65	-63.19
CN(CC1=CC=C(CNC(=O)CC2=CC[N@H+](C)CC2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986844	0	55	0.0	-71.65	443.71	6.39	-65.26
CN(CC1=CC=C(CNC(=O)CC2=CC[N@@H+](C)CC2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986844	1	55	0.0	-71.65	443.71	6.39	-65.26
CN(CC1=CC=C(CNC(=O)C=CC[NH+]2CCCC2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986871	0	55	0.0	-76.50	446.89	6.47	-70.03
CN(CC1=CC=C(CNC(=O)C2([NH+](C)C)CC2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986892	0	51	0.0	-74.79	405.66	5.49	-69.30
CN(CC1=CC=C(CNC(=O)CC[NH+]2CCCC2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986893	0	54	0.0	-74.33	432.92	5.79	-68.54
CN(CC1=CC=C(CNC(=O)C2C[NH+]3CCN2CC3)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986910	0	54	0.0	-80.81	421.17	2.54	-78.27
CN(CC1=CC=C(CNC(=O)C23CC(C2)C[N@@H+]3C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986914	0	52	0.0	-75.44	416.25	5.28	-70.16
CN(CC1=CC=C(CNC(=O)C23CC(C2)C[N@H+]3C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986914	1	52	0.0	-73.41	414.87	5.20	-68.21
CN(CC1=CC=C(CNC(=O)C[N@@H+]2CC3CCC2C3)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986919	0	55	0.0	-70.61	430.50	6.15	-64.46
CN(CC1=CC=C(CNC(=O)C[N@H+]2CC3CCC2C3)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986919	1	55	0.0	-69.79	429.10	5.98	-63.81
CN(CC1=CC=C(CNC(=O)C[N@@H+]2CC3C=CC2C3)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986949	1	53	0.0	-69.15	422.87	5.92	-63.23
CN(CC1=CC=C(CNC(=O)C[N@H+]2CC3C=CC2C3)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986949	1	53	0.0	-69.50	423.31	5.92	-63.58
CC(C[NH+](C)C)C(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028986971	0	53	0.0	-69.69	422.62	5.42	-64.27
CC(C(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1)[NH+]1CC(C)C1	REAL300028987010	0	54	0.0	-70.28	432.66	5.71	-64.57
CC1CC[N@@H+]1CC(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028987011	1	51	0.0	-70.87	410.35	4.87	-66.00
CC1CC[N@H+]1CC(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028987011	1	51	0.0	-71.51	415.90	5.14	-66.37
CN(CC1=CC=C(CNC(=O)CC(O)C[NH+](C)C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028987013	0	54	0.0	-78.73	437.13	3.08	-75.65
CN(CC1=CC=C(CNC(=O)[C@H]2C[C@H]([NH+](C)C)C2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028987063	0	54	0.0	-73.57	432.94	5.76	-67.81
CC(CC[NH+](C)C)C(=O)NCC1=CC=C(CN(C)C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028987066	0	56	0.0	-75.38	444.62	5.93	-69.45
CN(CC1=CC=C(CNC(=O)CSC(N)=[NH2+])C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028987098	0	45	0.0	-74.95	392.50	1.01	-73.94
CN(CC1=CC=C(CNC(=O)CC2CC=CC[N@@H+]2C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028987116	0	55	0.0	-68.18	429.63	6.02	-62.16
CN(CC1=CC=C(CNC(=O)CC2CC=CC[N@H+]2C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028987116	1	55	0.0	-76.64	435.84	6.11	-70.53
CCC1CN(CC(=O)NCC2=CC=C(CN(C)C(=O)C3=CC(=O)[N-]O3)C=C2)C1	REAL300028987183	0	54	0.0	-73.65	436.12	5.89	-67.76
CCC1C[NH+](CC(=O)NCC2=CC=C(CN(C)C(=O)C3=CC(=O)[N-]O3)C=C2)C1	REAL300028987183	1	54	0.0	-73.65	436.12	5.89	-67.76
CN(CC1=CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028987188	0	51	0.0	-69.45	409.78	5.00	-64.45
CC1C(C(=O)NCC2=CC=C(CN(C)C(=O)C3=CC(=O)[N-]O3)C=C2)CC[N@@H+]1C	REAL300028987203	0	54	0.0	-73.28	426.34	5.74	-67.54
CC1C(C(=O)NCC2=CC=C(CN(C)C(=O)C3=CC(=O)[N-]O3)C=C2)CC[N@H+]1C	REAL300028987203	1	54	0.0	-73.28	426.34	5.74	-67.54
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C1CCC[N@@H+]1C	REAL300028987393	0	51	0.0	-70.38	406.23	4.66	-65.72
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C1CCC[N@H+]1C	REAL300028987393	1	51	0.0	-70.38	406.23	4.66	-65.72
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C1CN(C)CCO1	REAL300028987419	0	52	0.0	-81.48	419.55	4.37	-77.11
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C1C[N@H+](C)CCO1	REAL300028987419	1	52	0.0	-82.02	418.87	4.37	-77.65
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C1C[N@@H+](C)CCO1	REAL300028987419	1	52	0.0	-82.02	418.87	4.37	-77.65
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C12CCC[NH+]1CCC2	REAL300028987571	0	55	0.0	-62.76	423.66	5.50	-57.26
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)CC1CC[N@H+](C)C1	REAL300028987586	0	54	0.0	-74.52	433.20	5.76	-68.76
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)CC1CC[N@@H+](C)C1	REAL300028987586	1	54	0.0	-74.52	433.20	5.76	-68.76
CCC(C(=O)N(C)CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)[NH+](C)C	REAL300028987591	0	53	0.0	-66.76	413.44	4.98	-61.78
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)CCCC[NH+](C)C	REAL300028987619	0	56	0.0	-73.94	452.29	6.31	-67.63
CC(C)C(C(=O)N(C)CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)[NH+](C)C	REAL300028987628	0	56	0.0	-68.82	430.52	5.91	-62.91
CCC[N@H+](C)CCC(=O)N(C)CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028987629	0	56	0.0	-73.26	448.57	6.13	-67.13
CCC[N@@H+](C)CCC(=O)N(C)CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028987629	1	56	0.0	-73.26	448.57	6.13	-67.13
CCC[N@H+](C)CC(=O)N(C)CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028987630	0	53	0.0	-70.45	426.16	5.53	-64.92
CCC[N@@H+](C)CC(=O)N(C)CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028987630	1	53	0.0	-70.45	426.16	5.53	-64.92
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C12CC[N@H+](C1)CCC2	REAL300028987637	0	55	0.0	-72.82	418.64	4.96	-67.86
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C12CC[N@@H+](C1)CCC2	REAL300028987637	1	55	0.0	-72.82	418.64	4.96	-67.86
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C1(C[NH+](C)C)CC1	REAL300028987690	0	54	0.0	-73.80	433.73	5.69	-68.11
CC[N@H+](C)CCC(=O)N(C)CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028987706	0	53	0.0	-72.57	426.76	5.38	-67.19
CC[N@@H+](C)CCC(=O)N(C)CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300028987706	1	53	0.0	-72.57	426.76	5.38	-67.19
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C1C[NH+]2CCC1CC2	REAL300028987716	0	55	0.0	-78.51	424.30	5.67	-72.84
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CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)CC[NH+]1CCCC1	REAL300028988300	0	54	0.0	-72.03	435.26	5.88	-66.15
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CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)CC1=CC=C[NH+]=C1N	REAL300028988390	0	50	0.0	-67.29	421.21	3.95	-63.34
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C1CCC[N@@H+]1C1CC1	REAL300028988397	0	55	0.0	-68.16	438.24	6.08	-62.08
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CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C=CC[NH+]1CCCC1	REAL300028988415	0	55	0.0	-74.80	448.39	6.57	-68.23
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CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C[N@@H+]1CC2C=CC1C2	REAL300028988473	1	53	0.0	-68.43	427.15	6.11	-62.32
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CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2C[N@@H+](C)CCO2)CC1	REAL300028990065	1	49	0.0	-82.41	369.27	3.41	-79.00
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CC(C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCCCC1	REAL300028990256	0	57	0.0	-68.25	400.87	5.51	-62.74
CC(C)[N@@H+]1CCCCC1C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028990258	0	57	0.0	-67.02	400.30	5.31	-61.71
CC(C)[N@H+]1CCCCC1C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028990258	1	57	0.0	-66.12	406.74	5.58	-60.54
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028990292	0	54	0.0	-67.11	390.36	4.99	-62.12
CC(C)[N@H+]1CCCC1C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028990292	1	54	0.0	-67.92	391.22	5.04	-62.88
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC1	REAL300028990318	0	55	0.0	-71.90	400.32	5.69	-66.21
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC3CCCC[N@H+]3C2)CC1	REAL300028990318	1	55	0.0	-73.17	400.79	5.72	-67.45
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028990351	1	52	0.0	-67.91	402.65	5.91	-62.00
CC1=[NH+]C=CN1CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028990405	1	46	0.0	-69.44	366.29	4.78	-64.66
CC(C[NH+]1CCOCC1)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028990407	0	55	0.0	-69.97	404.73	3.76	-66.21
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1	REAL300028990429	0	57	0.0	-73.67	422.43	6.45	-67.22
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1	REAL300028990456	0	57	0.0	-67.76	399.48	5.70	-62.06
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2C[NH+]3CCC2CC3)CC1	REAL300028990475	0	52	0.0	-77.72	373.91	4.67	-73.05
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCCC3CCC[N@@H+]32)CC1	REAL300028990533	0	55	0.0	-68.56	389.88	5.31	-63.25
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCCC3CCC[N@H+]32)CC1	REAL300028990533	1	55	0.0	-65.94	398.84	5.78	-60.16
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CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=NN(CC[NH+](C)C)C=C2)CC1	REAL300028990550	0	54	0.0	-81.52	418.28	5.00	-76.52
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CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028990560	1	55	0.0	-67.63	422.87	6.43	-61.20
CC[C@@H]1[C@@H](C(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300028990563	0	54	0.0	-74.25	391.66	4.75	-69.50
CC[C@@H]1[C@@H](C(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300028990563	1	54	0.0	-73.69	394.74	5.01	-68.68
CC[N@@H+]1CCOC(C(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028990589	1	52	0.0	-80.69	387.05	4.06	-76.63
CC[N@H+]1CCOC(C(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028990589	1	52	0.0	-80.70	387.51	4.06	-76.64
CC[NH+](CC)CC(F)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028990649	0	53	0.0	-73.08	398.27	5.14	-67.94
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=C(C[NH+](C)C)C=CS2)CC1	REAL300028990650	0	51	0.0	-69.26	407.57	5.65	-63.61
CC1CCC(C)[NH+]1CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028990755	0	54	0.0	-69.45	394.05	5.16	-64.29
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1	REAL300028990762	0	54	0.0	-73.79	406.80	5.75	-68.04
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC(C[NH+](C)C)=CC=C2)CC1	REAL300028990763	0	54	0.0	-74.50	413.21	6.31	-68.19
C#CC[NH+]1CCC(C(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028990770	0	53	0.0	-78.13	403.41	5.81	-72.32
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1	REAL300028990771	0	54	0.0	-74.26	400.25	5.64	-68.62
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=CC=C2C[NH+](C)C)CC1	REAL300028990775	0	54	0.0	-67.54	412.00	6.36	-61.18
CC[N@@H+]1CCCCC1C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028990784	0	54	0.0	-67.71	394.71	5.37	-62.34
CC[N@H+]1CCCCC1C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028990784	1	54	0.0	-67.69	394.51	5.35	-62.34
CC(C)C(C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCCC1	REAL300028990785	0	60	0.0	-68.71	420.54	6.58	-62.13
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(C2=CC=CC=C2)[NH+](C)C)CC1	REAL300028990788	1	54	0.0	-69.00	407.67	6.45	-62.55
CC(C)C[N@@H+]1CCC(C(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028990814	0	57	0.0	-73.35	418.52	5.98	-67.37
CC(C)C[N@H+]1CCC(C(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028990814	1	57	0.0	-73.33	419.71	6.03	-67.30
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1	REAL300028990818	0	51	0.0	-73.65	361.71	4.04	-69.61
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(CN2C=CC=N2)[NH+](C)C)CC1	REAL300028990820	1	54	0.0	-68.07	407.62	4.33	-63.74
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028990825	0	57	0.0	-65.92	405.78	5.75	-60.17
CC(C)[N@H+]1CCCC1CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028990825	1	57	0.0	-71.25	414.77	5.84	-65.41
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCC[N@@H+]2C2CCCC2)CC1	REAL300028990826	0	58	0.0	-68.87	415.50	6.50	-62.37
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCC[N@H+]2C2CCCC2)CC1	REAL300028990826	1	58	0.0	-69.07	419.96	6.52	-62.55
CC(C)[C@@H](C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028990847	0	53	0.0	-69.54	377.81	4.60	-64.94
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1	REAL300028990909	0	51	0.0	-71.24	382.48	5.15	-66.09
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1	REAL300028990909	1	51	0.0	-70.80	383.00	5.16	-65.64
CC(C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1C(C)CCC1C	REAL300028990995	0	57	0.0	-66.04	403.86	5.26	-60.78
CN(CCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=[NH+]C=C1	REAL300028991074	0	53	0.0	-69.85	411.69	4.88	-64.97
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028991086	1	50	0.0	-69.21	381.35	4.92	-64.29
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028991086	1	50	0.0	-71.14	382.98	5.15	-65.99
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCC2CCC[N@@H+]2C)CC1	REAL300028991096	0	54	0.0	-72.60	397.89	5.23	-67.37
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCC2CCC[N@H+]2C)CC1	REAL300028991096	1	54	0.0	-75.90	403.84	5.71	-70.19
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1	REAL300028991109	0	55	0.0	-73.34	384.33	4.82	-68.52
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCC3CCCC[N@@H+]32)CC1	REAL300028991117	0	55	0.0	-68.52	396.16	5.61	-62.91
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCC3CCCC[N@H+]32)CC1	REAL300028991117	1	55	0.0	-68.51	395.92	5.64	-62.87
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1	REAL300028991125	0	58	0.0	-70.07	407.96	3.78	-66.29
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1	REAL300028991145	0	57	0.0	-73.80	428.29	6.53	-67.27
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@H+](C)CC2=CC=CC=C2)CC1	REAL300028991148	1	54	0.0	-77.57	413.60	6.77	-70.80
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)CC1	REAL300028991148	1	54	0.0	-77.93	413.07	6.75	-71.18
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1	REAL300028991165	0	51	0.0	-76.93	380.31	4.72	-72.21
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=NOC(C[NH+](C)C)=C2)CC1	REAL300028991225	1	50	0.0	-79.08	391.33	4.40	-74.68
CC1=C(C(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C=CC2=C[NH+]=CN21	REAL300028991227	0	49	0.0	-73.62	389.25	6.76	-66.86
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCCC[N@@H+]2C)CC1	REAL300028991270	0	51	0.0	-71.66	369.74	4.34	-67.32
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCCC[N@H+]2C)CC1	REAL300028991270	1	51	0.0	-68.89	376.59	4.73	-64.16
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028991301	0	57	0.0	-69.60	400.85	6.05	-63.55
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028991301	1	57	0.0	-69.30	417.31	6.15	-63.15
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC1	REAL300028991458	0	46	0.0	-74.16	371.04	6.50	-67.66
CC1=[NH+]C=CN1CCCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028991471	1	52	0.0	-70.74	407.85	6.13	-64.61
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1	REAL300028991475	1	58	0.0	-77.21	435.16	4.81	-72.40
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=C(C[NH+](C)C)C=C2)CC1	REAL300028991481	0	54	0.0	-78.58	414.66	6.34	-72.24
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC[NH+]2CCOCC2)CC1	REAL300028991482	1	52	0.0	-78.07	392.16	3.24	-74.83
CCC[NH+](CCC)CCCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028991507	0	62	0.0	-74.22	459.18	7.45	-66.77
CC1=C[NH+]=CN1CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028991527	1	46	0.0	-72.27	366.17	5.50	-66.77
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CN2C=[NH+]C3=C2CCCC3)CC1	REAL300028991538	1	53	0.0	-71.42	408.02	7.22	-64.20
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1	REAL300028991582	0	60	0.0	-74.80	412.17	6.60	-68.20
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1	REAL300028991588	0	60	0.0	-75.36	435.31	6.82	-68.54
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1	REAL300028991588	1	60	0.0	-75.70	434.83	6.80	-68.90
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1	REAL300028991593	0	52	0.0	-67.23	373.10	4.47	-62.76
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCCC([NH+](C)C)C2)CC1	REAL300028991632	0	57	0.0	-72.85	412.71	5.74	-67.11
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2CC[N@H+](C)C2)CC1	REAL300028991637	0	51	0.0	-74.83	383.08	4.82	-70.01
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2CC[N@@H+](C)C2)CC1	REAL300028991637	1	51	0.0	-74.88	383.16	4.75	-70.13
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028991651	0	50	0.0	-77.58	385.11	3.16	-74.42
CCC(C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028991657	0	50	0.0	-69.46	363.71	4.07	-65.39
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1	REAL300028991677	0	57	0.0	-75.69	400.11	5.66	-70.03
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CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)CC1	REAL300028991785	1	49	0.0	-80.25	392.96	4.88	-75.37
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CCC[N@@H+](C)CCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028991843	1	53	0.0	-75.68	398.01	5.15	-70.53
CCC[N@H+](C)CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028991849	0	50	0.0	-73.57	375.64	4.57	-69.00
CCC[N@@H+](C)CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028991849	1	50	0.0	-73.54	375.64	4.56	-68.98
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C23CC[N@H+](C2)CCC3)CC1	REAL300028991879	0	52	0.0	-74.22	370.31	4.02	-70.20
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1	REAL300028991879	1	52	0.0	-79.09	368.58	3.94	-75.15
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	REAL300028991943	0	48	0.0	-69.57	356.09	3.90	-65.67
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	REAL300028991943	1	48	0.0	-71.06	354.98	3.70	-67.36
CC1CC2CCC(C(=O)N3CCC(N(C)C(=O)C4=CC(=O)[N-]O4)CC3)C[N@@H+]2C1	REAL300028991970	0	58	0.0	-69.04	417.19	6.49	-62.55
CC1CC2CCC(C(=O)N3CCC(N(C)C(=O)C4=CC(=O)[N-]O4)CC3)C[N@H+]2C1	REAL300028991970	1	58	0.0	-65.09	415.49	6.53	-58.56
CCCCCC[N@H+](C)CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028992021	0	59	0.0	-74.82	440.14	6.91	-67.91
CCCCCC[N@@H+](C)CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028992021	1	59	0.0	-74.43	440.61	6.93	-67.50
CC[NH+](CC)C(C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)C(C)C	REAL300028992030	0	59	0.0	-66.34	412.67	5.79	-60.55
CC[NH+](CC)CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028992040	0	50	0.0	-71.47	372.48	4.52	-66.95
CCC[N@@H+]1CCCC(C(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028992074	0	57	0.0	-66.60	410.28	6.18	-60.42
CCC[N@H+]1CCCC(C(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028992074	1	57	0.0	-72.48	416.69	5.95	-66.53
CC(C)[N@@H+]1CCOC(C(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028992097	1	55	0.0	-72.06	397.40	4.40	-67.66
CC(C)[N@H+]1CCOC(C(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028992097	1	55	0.0	-71.50	397.02	4.39	-67.11
CC1CC[NH+](CC(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028992137	0	54	0.0	-73.42	399.48	5.66	-67.76
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CC1	REAL300028992168	1	49	0.0	-78.08	392.51	4.25	-73.83
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)COC2CC[NH+](C)CC2)CC1	REAL300028992177	0	55	0.0	-78.11	416.17	5.34	-72.77
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1	REAL300028992194	0	51	0.0	-71.92	384.78	4.74	-67.18
CC1=[NH+]C=C2CCC(C(=O)N3CCC(N(C)C(=O)C4=CC(=O)[N-]O4)CC3)CN21	REAL300028992195	1	53	0.0	-66.73	401.80	5.65	-61.08
CC(C)[NH+]1CCC(C(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028992296	0	57	0.0	-74.02	410.98	5.68	-68.34
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1	REAL300028992326	0	51	0.0	-76.93	380.31	4.72	-72.21
CC(C)[C@H](C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028992349	0	53	0.0	-71.43	379.63	4.64	-66.79
CCC(C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](CC)CC	REAL300028992386	0	56	0.0	-66.07	398.06	5.31	-60.76
CC[N@H+](C)CCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028992481	0	50	0.0	-74.61	377.00	4.44	-70.17
CC[N@@H+](C)CCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028992481	1	50	0.0	-75.17	377.02	4.42	-70.75
CC1CCC[N@@H+]1CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028992557	0	51	0.0	-70.47	381.75	4.94	-65.53
CC1CCC[N@H+]1CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028992557	1	51	0.0	-70.46	381.55	4.93	-65.53
CC1CC[N@H+](CC(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028992559	0	51	0.0	-72.86	382.97	4.90	-67.96
CC1CC[N@@H+](CC(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028992559	1	51	0.0	-72.54	382.56	4.90	-67.64
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2(F)CC[N@@H+](C(C)(C)C)C2)CC1	REAL300028992560	0	57	0.0	-70.31	412.32	5.21	-65.10
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2(F)CC[N@H+](C(C)(C)C)C2)CC1	REAL300028992560	1	57	0.0	-69.05	413.94	5.32	-63.73
CC1=[NH+]C=C2CC(C(=O)N3CCC(N(C)C(=O)C4=CC(=O)[N-]O4)CC3)CCN21	REAL300028992562	1	53	0.0	-69.73	403.07	5.72	-64.01
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1	REAL300028992565	0	54	0.0	-72.71	401.91	5.40	-67.31
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1	REAL300028992565	1	54	0.0	-72.96	402.14	5.41	-67.55
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1	REAL300028992566	0	56	0.0	-73.21	406.83	5.72	-67.49
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1	REAL300028992566	1	56	0.0	-73.62	404.02	5.56	-68.06
CC[C@@H](C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028992577	0	50	0.0	-69.31	361.05	3.96	-65.35
CC(COCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCC1	REAL300028992585	0	58	0.0	-70.82	435.52	6.00	-64.82
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1	REAL300028992673	0	58	0.0	-76.91	429.77	6.92	-69.99
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2(O)CC[NH+](C)CC2)CC1	REAL300028992823	0	55	0.0	-74.38	406.84	3.45	-70.93
COCC[N@@H+]1CCCC1CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028992830	0	58	0.0	-64.78	427.01	5.12	-59.66
COCC[N@H+]1CCCC1CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028992830	1	58	0.0	-73.93	428.11	4.26	-69.67
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[NH+](C)C)CC1	REAL300028992838	0	44	0.0	-74.06	336.97	3.16	-70.90
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1	REAL300028992843	0	55	0.0	-74.52	410.31	2.35	-72.17
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[NH+]2CCCCCC2)CC1	REAL300028992847	0	54	0.0	-72.40	387.32	5.21	-67.19
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N+]2=CN(C)C=C2)CC1	REAL300028992852	0	46	0.0	-70.88	368.13	6.69	-64.19
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCC[N@H+](C)C2)CC1	REAL300028992863	0	51	0.0	-71.50	372.90	4.81	-66.69
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCC[N@@H+](C)C2)CC1	REAL300028992863	1	51	0.0	-73.66	377.52	4.52	-69.14
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1	REAL300028992869	0	52	0.0	-71.14	387.27	5.04	-66.10
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCC[N@H+]2C2CC2)CC1	REAL300028992869	1	52	0.0	-67.75	385.27	5.34	-62.41
CC(C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC1	REAL300028992906	0	48	0.0	-70.51	365.05	4.07	-66.44
CCC(CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300028992915	0	56	0.0	-74.88	407.85	5.72	-69.16
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(C)(C)C[NH+](C)C)CC1	REAL300028992924	0	53	0.0	-72.21	377.57	4.51	-67.70
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC1	REAL300028992947	0	53	0.0	-69.20	396.19	5.64	-63.56
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CC1	REAL300028992947	1	53	0.0	-69.24	383.98	6.05	-63.19
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[NH+]2CCC(O)CC2)CC1	REAL300028992970	0	52	0.0	-76.81	389.71	1.70	-75.11
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@H+](C)C2CC2)CC1	REAL300028992972	0	48	0.0	-70.70	365.67	4.57	-66.13
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@@H+](C)C2CC2)CC1	REAL300028992972	1	48	0.0	-70.42	366.18	4.58	-65.84
CC(C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)N1CC[NH+](C)CC1	REAL300028992973	1	56	0.0	-71.30	403.37	2.68	-68.62
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2C[NH+](C)C2)CC1	REAL300028993002	0	48	0.0	-74.16	367.72	4.03	-70.13
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC[N@@H+]2C2CCCC2)CC1	REAL300028993006	0	55	0.0	-70.80	401.51	5.63	-65.17
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC[N@H+]2C2CCCC2)CC1	REAL300028993006	1	55	0.0	-72.23	407.09	5.93	-66.30
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC[N@@H+]2C(C)(C)C)CC1	REAL300028993014	0	54	0.0	-69.01	397.35	4.85	-64.16
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC[N@H+]2C(C)(C)C)CC1	REAL300028993014	1	54	0.0	-69.26	397.48	4.80	-64.46
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCN(C3=CC=[NH+]C=C3)C2)CC1	REAL300028993025	0	54	0.0	-70.64	410.11	3.58	-67.06
C[C@@H](C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028993028	0	47	0.0	-71.00	351.65	3.48	-67.52
CCC1CCC[N@H+](CC(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028993080	0	57	0.0	-73.36	417.34	6.26	-67.10
CCC1CCC[N@@H+](CC(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028993080	1	57	0.0	-73.42	417.39	6.27	-67.15
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=C(C[NH+](C)C)N2)CC1	REAL300028993089	0	52	0.0	-79.79	399.72	4.57	-75.22
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2CC3CCC(C2)[NH+]3C)CC1	REAL300028993104	0	58	0.0	-73.47	402.03	5.66	-67.81
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CN2C=CSC2=[NH2+])CC1	REAL300028993150	0	44	0.0	-68.91	363.47	3.33	-65.58
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC[N@H+](C)CCO)CC1	REAL300028993163	0	51	0.0	-74.35	387.34	1.22	-73.13
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC[N@@H+](C)CCO)CC1	REAL300028993163	1	51	0.0	-74.17	386.70	1.21	-72.96
C[C@@H](C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028993164	0	47	0.0	-71.00	351.65	3.48	-67.52
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1	REAL300028993168	0	51	0.0	-68.87	376.68	4.72	-64.15
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1	REAL300028993168	1	51	0.0	-70.54	365.63	4.29	-66.25
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028993178	0	54	0.0	-74.99	385.91	1.75	-73.24
CC1CN2CC[N@H+]1CC2C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028993178	1	54	0.0	-76.84	384.36	1.67	-75.17
COC1C[N@@H+]2CCCC2(C(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028993227	0	56	0.0	-71.22	406.26	3.38	-67.84
COC1C[N@H+]2CCCC2(C(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028993227	1	56	0.0	-68.45	409.24	3.55	-64.90
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2=CC3=C[NH+]=CN3C=C2)CC1	REAL300028993243	0	49	0.0	-72.04	391.33	7.40	-64.64
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@H+](C)C2CCSC2)CC1	REAL300028993276	0	52	0.0	-79.72	396.26	5.40	-74.32
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@@H+](C)C2CCSC2)CC1	REAL300028993276	1	52	0.0	-79.51	395.75	5.39	-74.12
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[NH+]2CCC2)CC1	REAL300028993277	1	45	0.0	-73.46	346.34	3.58	-69.88
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=NC(C[NH+](C)C)=C2)CC1	REAL300028993315	1	53	0.0	-71.58	409.34	4.48	-67.10
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C=C2CC[N@H+](C)C2)CC1	REAL300028993317	0	49	0.0	-76.50	373.93	4.77	-71.73
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C=C2CC[N@@H+](C)C2)CC1	REAL300028993317	1	49	0.0	-76.17	374.21	4.70	-71.47
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2C[NH+](C3CCCCC3)C2)CC1	REAL300028993344	0	58	0.0	-76.63	428.01	6.49	-70.14
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)COCC[NH+](C)C)CC1	REAL300028993362	0	51	0.0	-72.84	392.81	4.29	-68.55
CCCCC[N@H+](C)CCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028993369	0	59	0.0	-76.29	441.49	6.75	-69.54
CCCCC[N@@H+](C)CCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028993369	1	59	0.0	-76.64	441.01	6.71	-69.93
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)CC1	REAL300028993379	0	55	0.0	-72.83	411.86	5.00	-67.83
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CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(O)CC[S+](C)C)CC1	REAL300028993396	0	50	0.0	-76.58	396.91	2.58	-74.00
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2(C)CC(O)C[N@@H+]2C)CC1	REAL300028993431	0	52	0.0	-69.33	377.29	0.70	-68.63
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CN(C)CC[N@H+](C)C2)CC1	REAL300028993446	0	56	0.0	-70.55	404.00	3.04	-67.51
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC1	REAL300028993446	1	56	0.0	-70.55	404.00	3.04	-67.51
CC(C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)[N@@H+]1CCCC(O)C1	REAL300028993447	0	55	0.0	-68.98	404.78	1.97	-67.01
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2(O)CCC[N@H+](C)C2)CC1	REAL300028993472	0	55	0.0	-69.03	396.81	3.30	-65.73
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2(O)CCC[N@@H+](C)C2)CC1	REAL300028993472	1	55	0.0	-69.03	396.81	3.30	-65.73
CC1CN(CC(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028993476	0	48	0.0	-73.21	367.55	4.24	-68.97
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CN(CCO)CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028993506	0	48	0.0	-73.66	364.97	0.61	-73.05
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@H+](C)CCO)CC1	REAL300028993506	1	48	0.0	-73.55	364.47	0.59	-72.96
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@@H+](C)CCO)CC1	REAL300028993506	1	48	0.0	-73.55	364.47	0.59	-72.96
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C=C2CC3CCC(C2)[NH+]3C)CC1	REAL300028993529	0	56	0.0	-70.90	407.59	5.85	-65.05
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2C[N@@H+]3CCN2CCC3)CC1	REAL300028993534	0	54	0.0	-80.80	379.15	2.51	-78.29
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2C[N@H+]3CCN2CCC3)CC1	REAL300028993534	1	54	0.0	-80.80	379.15	2.51	-78.29
CC[N@@H+]1CCCC(C(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028993543	0	54	0.0	-72.43	398.04	5.34	-67.09
CC[N@H+]1CCCC(C(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028993543	1	54	0.0	-72.43	398.04	5.34	-67.09
CC(CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300028993545	0	53	0.0	-74.61	394.11	5.23	-69.38
CC[N@H+](C)CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028993561	0	47	0.0	-73.15	354.15	3.83	-69.32
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C23CCC[N@@H+]2CCCC3)CC1	REAL300028993590	0	55	0.0	-66.76	385.36	4.81	-61.95
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C23CCC[N@H+]2CCCC3)CC1	REAL300028993590	1	55	0.0	-66.76	385.36	4.81	-61.95
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C23CCC[N@@H+]2CC=CC3)CC1	REAL300028993600	0	53	0.0	-66.05	377.36	4.74	-61.31
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C23CCC[N@H+]2CC=CC3)CC1	REAL300028993600	1	53	0.0	-66.05	377.36	4.74	-61.31
CC[N@H+](CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300028993628	0	51	0.0	-70.05	381.93	5.16	-64.89
CC[NH+](CC)CCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028993653	0	53	0.0	-74.46	390.44	4.87	-69.59
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CN2CC(C)(C)C2)CC1	REAL300028993687	0	51	0.0	-73.71	387.51	4.80	-68.91
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1	REAL300028993687	1	51	0.0	-73.71	387.51	4.80	-68.91
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCCC[NH+]2CCCCC2)CC1	REAL300028993693	0	60	0.0	-73.90	443.89	7.23	-66.67
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@@H+]2CCC(C)(O)C2)CC1	REAL300028993728	0	52	0.0	-73.42	392.56	1.55	-71.87
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C=CC[NH+](C)C)CC1	REAL300028993741	0	48	0.0	-77.36	372.93	4.42	-72.94
CC(OCC[NH+](C)C)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028993768	0	54	0.0	-72.94	408.45	4.75	-68.19
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCOCC[NH+](C)C)CC1	REAL300028993779	0	54	0.0	-72.55	413.72	4.01	-68.54
COCCN(C)CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028993780	0	51	0.0	-73.40	386.57	2.98	-70.42
COCC[N@H+](C)CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028993780	1	51	0.0	-73.85	387.22	3.01	-70.84
COCC[N@@H+](C)CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028993780	1	51	0.0	-73.85	387.22	3.01	-70.84
COCCCC[N@H+](C)CCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028993812	0	60	0.0	-79.55	453.18	5.00	-74.55
COCCCC[N@@H+](C)CCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028993812	1	60	0.0	-79.55	453.18	5.00	-74.55
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2([NH+](C)C)CCCC2)CC1	REAL300028993838	0	54	0.0	-74.00	373.17	4.71	-69.29
CC(CCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028993841	0	53	0.0	-76.91	390.12	4.95	-71.96
CC[N@@H+]1CCC1C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028993851	0	48	0.0	-72.27	367.49	4.07	-68.20
CC[N@H+]1CCC1C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028993851	1	48	0.0	-71.93	367.60	4.14	-67.79
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028993864	0	57	0.0	-65.43	406.03	5.98	-59.45
CC(C)[N@H+]1CCCC(C(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028993864	1	57	0.0	-65.91	405.73	5.97	-59.94
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@@H+]2CCCC2CO)CC1	REAL300028993879	0	52	0.0	-72.08	389.51	1.77	-70.31
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@H+]2CCCC2CO)CC1	REAL300028993879	1	52	0.0	-69.30	382.26	1.70	-67.60
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC1	REAL300028993906	0	55	0.0	-71.90	400.32	5.69	-66.21
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC3CCCC[N@H+]3C2)CC1	REAL300028993906	1	55	0.0	-73.17	400.79	5.72	-67.45
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2(C)CC[NH+](C)CC2)CC1	REAL300028993915	0	54	0.0	-71.48	384.53	4.67	-66.81
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC(C[NH+](C)C)=CN2)CC1	REAL300028993921	0	52	0.0	-75.48	399.24	4.66	-70.82
CC(C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC(O)CC1	REAL300028993942	0	55	0.0	-73.35	405.30	2.02	-71.33
C=CCC(C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028993958	0	51	0.0	-71.60	381.82	4.78	-66.82
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC(C)(C)C[N@@H+]2C)CC1	REAL300028993976	0	54	0.0	-70.61	395.35	4.73	-65.88
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC(C)(C)C[N@H+]2C)CC1	REAL300028993976	1	54	0.0	-70.76	394.76	4.80	-65.96
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCCCC[NH+](C)C)CC1	REAL300028993981	0	56	0.0	-74.01	423.76	6.15	-67.86
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[NH+]2CC3CC3C2)CC1	REAL300028993992	0	49	0.0	-73.12	371.71	5.05	-68.07
CC1C[N@@H+]2CCN1C(C(=O)N1CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300028994029	0	54	0.0	-77.99	385.43	1.80	-76.19
CC1C[N@H+]2CCN1C(C(=O)N1CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300028994029	1	54	0.0	-77.93	386.44	1.87	-76.06
CCCC(C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028994030	0	53	0.0	-70.31	385.21	4.84	-65.47
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(C)(C)[NH+](C)C)CC1	REAL300028994035	0	50	0.0	-71.75	356.96	3.61	-68.14
CC[NH+](CC)CCSCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028994076	0	57	0.0	-75.74	435.04	6.27	-69.47
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCCC[N@@H+]2C)CC1	REAL300028994088	0	51	0.0	-71.66	369.74	4.34	-67.32
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCCC[N@H+]2C)CC1	REAL300028994088	1	51	0.0	-68.89	376.59	4.73	-64.16
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2=CC[N@H+](C)CC2)CC1	REAL300028994140	0	52	0.0	-72.04	396.07	5.55	-66.49
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2=CC[N@@H+](C)CC2)CC1	REAL300028994140	1	52	0.0	-70.40	395.56	5.52	-64.88
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2([NH+]3CCCC3)CC2)CC1	REAL300028994150	0	55	0.0	-69.77	401.26	5.99	-63.78
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(C)(C)C2CCC[N@H+](C)C2)CC1	REAL300028994209	0	60	0.0	-74.62	418.58	5.77	-68.85
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(C)(C)C2CCC[N@@H+](C)C2)CC1	REAL300028994209	1	60	0.0	-74.62	418.58	5.77	-68.85
CN(C)CC1=CC=C(C(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028994214	0	51	0.0	-77.19	397.16	4.89	-72.30
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=C(C[NH+](C)C)O2)CC1	REAL300028994214	1	51	0.0	-77.19	397.16	4.89	-72.30
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C=CC[NH+]2CCCC2)CC1	REAL300028994238	0	52	0.0	-75.67	395.91	5.46	-70.21
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1	REAL300028994265	0	55	0.0	-74.06	403.74	5.84	-68.22
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC[NH+]2CCCC2)CC1	REAL300028994294	0	51	0.0	-74.63	385.23	4.95	-69.68
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C23CC(C2)C[N@@H+]3C)CC1	REAL300028994352	0	49	0.0	-71.63	363.58	4.24	-67.39
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@@H+]2CC3CCC2C3)CC1	REAL300028994368	0	52	0.0	-70.67	383.94	5.28	-65.39
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@H+]2CC3CCC2C3)CC1	REAL300028994368	1	52	0.0	-70.67	383.94	5.28	-65.39
CC(C)[NH+]1CCC(CC(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028994380	0	60	0.0	-70.20	430.77	6.56	-63.64
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C=C2C[NH+]3CCC2CC3)CC1	REAL300028994431	0	53	0.0	-69.37	392.20	5.59	-63.78
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CN2CC3C=CC2C3)CC1	REAL300028994443	0	50	0.0	-71.32	375.78	5.14	-66.18
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@@H+]2CC3C=CC2C3)CC1	REAL300028994443	1	50	0.0	-70.98	376.01	5.11	-65.87
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@H+]2CC3C=CC2C3)CC1	REAL300028994443	1	50	0.0	-70.98	376.01	5.11	-65.87
CC(C[NH+](C)C)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028994508	0	50	0.0	-74.56	372.30	4.20	-70.36
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2CCCC[N@@H+]2C)CC1	REAL300028994610	0	54	0.0	-75.36	395.99	5.40	-69.96
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2CCCC[N@H+]2C)CC1	REAL300028994610	1	54	0.0	-75.36	395.99	5.40	-69.96
CC1=C2C=C(C(=O)N3CCC(N(C)C(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=N1	REAL300028994633	0	49	0.0	-74.47	387.68	6.90	-67.57
CC1=C2C=C(C(=O)N3CCC(N(C)C(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300028994633	1	49	0.0	-74.47	387.68	6.90	-67.57
CC1CC[N@@H+]1CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028994638	0	48	0.0	-70.92	362.83	4.05	-66.87
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC(O)C[NH+](C)C)CC1	REAL300028994643	0	51	0.0	-78.19	389.41	2.22	-75.97
CC1CN(C)CC(C(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028994681	0	52	0.0	-81.67	384.20	4.14	-77.53
CC1C[N@H+](C)CC(C(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028994681	1	52	0.0	-83.37	383.22	3.71	-79.66
CC1C[N@@H+](C)CC(C(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028994681	1	52	0.0	-83.37	383.22	3.71	-79.66
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC[NH+]2CCC(O)CC2)CC1	REAL300028994693	0	55	0.0	-78.26	411.98	2.31	-75.95
CCC[N@@H+]1CCCCC1C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028994696	0	57	0.0	-68.26	415.21	6.05	-62.21
CCC[N@H+]1CCCCC1C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028994696	1	57	0.0	-68.26	415.21	6.05	-62.21
CC[NH+]1CCN(CCC(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028994701	0	59	0.0	-76.09	435.57	3.88	-72.21
CCN1CC[NH+](CCC(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028994701	1	59	0.0	-76.09	435.57	3.88	-72.21
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1	REAL300028994704	0	58	0.0	-65.64	410.27	6.52	-59.12
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1	REAL300028994704	1	58	0.0	-65.64	410.27	6.52	-59.12
CC(C)C[NH+]1CCC(C(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028994752	0	60	0.0	-76.49	436.58	6.78	-69.71
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CN2CCC([NH+](C)C)CC2)CC1	REAL300028994778	0	59	0.0	-72.48	429.77	3.86	-68.62
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)CC1	REAL300028994800	0	51	0.0	-73.35	386.04	4.90	-68.45
CC(CC[NH+](C)C)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028994808	0	53	0.0	-74.31	393.92	4.82	-69.49
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CC1	REAL300028994842	0	55	0.0	-68.83	406.96	2.44	-66.39
C#CC[N@H+]1CCCCC1C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028994851	1	53	0.0	-69.22	402.31	5.90	-63.32
C#CC[N@@H+]1CCCCC1C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028994851	1	53	0.0	-70.02	391.24	5.39	-64.63
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CN2CC[NH+](C)CC2)CC1	REAL300028994857	1	53	0.0	-72.79	395.45	2.66	-70.13
CC[NH+]1CCN(CC(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028994866	0	56	0.0	-71.69	412.69	3.29	-68.40
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CSC(N)=[NH2+])CC1	REAL300028994898	0	42	0.0	-75.22	345.50	0.13	-75.09
CC[N@@H+]1CCOCC1CC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028994946	0	55	0.0	-74.29	400.08	3.50	-70.79
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2(CC[NH+](C)C)CCCC2)CC1	REAL300028994965	0	60	0.0	-76.61	430.36	6.31	-70.30
CC1CCCC(C)[NH+]1CCC(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028994967	0	60	0.0	-70.43	430.53	6.33	-64.10
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCC([NH+](C)C)CC2)CC1	REAL300028994970	0	57	0.0	-68.16	405.44	5.65	-62.51
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2(CC[NH+](C)C)CC2)CC1	REAL300028994971	0	54	0.0	-74.29	407.27	5.48	-68.81
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)CC1	REAL300028994975	0	57	0.0	-68.48	404.96	5.62	-62.86
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2CC=CC[N@@H+]2C)CC1	REAL300028994976	0	52	0.0	-76.48	387.39	5.25	-71.23
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2CC=CC[N@H+]2C)CC1	REAL300028994976	1	52	0.0	-76.48	387.39	5.25	-71.23
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028995006	0	54	0.0	-70.63	407.48	4.71	-65.92
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC3CCC(C2)[NH+]3C)CC1	REAL300028995040	0	55	0.0	-68.27	381.15	4.88	-63.39
CC(C(=O)N1CCC(N(C)C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCSCC1	REAL300028995193	1	52	0.0	-72.49	392.99	5.06	-67.43
CCC1C[NH+](CC(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028995196	0	51	0.0	-74.37	388.71	4.96	-69.41
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1	REAL300028995198	0	56	0.0	-79.08	419.51	4.14	-74.94
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2([NH+]3CCCC3)CCC2)CC1	REAL300028995200	0	55	0.0	-70.13	390.68	5.35	-64.78
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	REAL300028995211	0	48	0.0	-71.73	354.75	3.67	-68.06
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	REAL300028995211	1	48	0.0	-69.73	358.56	3.99	-65.74
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC[N@H+]2CCC(F)C2)CC1	REAL300028995221	1	51	0.0	-76.85	390.95	5.03	-71.82
COC1C[N@@H+](C)C(C)(C(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028995230	1	55	0.0	-67.62	399.31	3.06	-64.56
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC[NH+]2CCCCCC2)CC1	REAL300028995243	0	57	0.0	-76.23	410.24	5.84	-70.39
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[NH+]2CCCCC2)CC1	REAL300028995245	0	51	0.0	-72.74	377.99	5.03	-67.71
CC1C(C(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300028995255	0	51	0.0	-71.97	373.81	4.23	-67.74
CC1C(C(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300028995255	1	51	0.0	-72.57	374.16	4.24	-68.33
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCC2CCCC[N@@H+]2C)CC1	REAL300028995258	0	57	0.0	-76.17	410.42	5.93	-70.24
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCC2CCCC[N@H+]2C)CC1	REAL300028995258	1	57	0.0	-76.39	410.43	5.95	-70.44
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC[N@@H+]3CCOCC23)CC1	REAL300028995294	0	53	0.0	-70.58	386.08	3.31	-67.27
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC[N@H+]3CCOCC23)CC1	REAL300028995294	1	53	0.0	-76.79	391.85	3.28	-73.51
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(N(C)C(=O)C4=CC(=O)[N-]O4)CC3)=CN21	REAL300028995302	0	49	0.0	-69.76	392.53	6.29	-63.47
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2COCCN2C)CC1	REAL300028995322	0	52	0.0	-79.20	387.09	3.01	-76.19
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2COCC[N@@H+]2C)CC1	REAL300028995322	1	52	0.0	-70.33	380.06	2.88	-67.45
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2COCC[N@H+]2C)CC1	REAL300028995322	1	52	0.0	-79.20	387.09	3.01	-76.19
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300028995333	1	52	0.0	-68.31	407.59	4.52	-63.79
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCN2CC2=CC=CC=C2)CC1	REAL300028995348	0	55	0.0	-71.51	420.63	6.80	-64.71
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300028995348	1	55	0.0	-76.11	427.79	7.12	-68.99
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC[N@H+]2CC2=CC=CC=C2)CC1	REAL300028995348	1	55	0.0	-71.51	420.63	6.80	-64.71
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028995352	0	60	0.0	-66.91	427.73	6.87	-60.04
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028995352	1	60	0.0	-71.95	434.12	6.62	-65.33
CN(C(=O)C1CCC[N@@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028995519	0	48	0.0	-67.67	358.93	3.97	-63.70
CN(C(=O)C1CCC[N@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028995519	1	48	0.0	-68.65	355.14	3.60	-65.05
CN(C(=O)C1CN(C)CCO1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028995545	0	49	0.0	-73.24	362.24	3.22	-70.02
CN(C(=O)C1C[N@H+](C)CCO1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028995545	1	49	0.0	-83.05	368.47	3.16	-79.89
CN(C(=O)C1C[N@@H+](C)CCO1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028995545	1	49	0.0	-73.24	362.24	3.22	-70.02
CC1=[NH+]C=CN1CCCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028995713	1	52	0.0	-68.22	406.80	5.89	-62.33
CN(C(=O)CCCC[NH+]1CCOCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028995717	1	58	0.0	-74.90	434.48	4.72	-70.18
CN(C(=O)C1=CC=C(C[NH+](C)C)C=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028995721	0	54	0.0	-78.74	410.66	6.09	-72.65
CN(C(=O)CC[NH+]1CCOCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028995722	1	52	0.0	-74.81	391.48	3.14	-71.67
CCC[NH+](CCC)CCCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028995741	0	62	0.0	-71.60	458.75	7.35	-64.25
CN(C(=O)C1=CC2=C[NH+]=CN2C=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028995769	1	46	0.0	-75.48	363.26	6.26	-69.22
CN(C(=O)C1CCCC([NH+](C)C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028995834	0	57	0.0	-68.55	403.16	5.31	-63.24
CN(C(=O)CC1CC[N@H+](C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028995839	0	51	0.0	-72.79	382.46	4.62	-68.17
CN(C(=O)CC1CC[N@@H+](C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028995839	1	51	0.0	-73.33	382.54	4.63	-68.70
CCC(C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028995856	0	50	0.0	-69.63	366.44	4.09	-65.54
CN(C(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028995865	1	49	0.0	-79.39	393.40	4.74	-74.65
CC1CC2CCC(C(=O)N(C)C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C[N@@H+]2C1	REAL300028995908	0	58	0.0	-68.41	419.09	6.02	-62.39
CC1CC2CCC(C(=O)N(C)C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C[N@H+]2C1	REAL300028995908	1	58	0.0	-68.44	419.33	6.14	-62.30
CN(C(=O)CCCC[NH+](C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028995937	0	53	0.0	-72.95	401.58	5.26	-67.69
CCC[N@H+](C)CCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028995958	0	53	0.0	-72.82	397.78	5.11	-67.71
CCC[N@@H+](C)CCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028995958	1	53	0.0	-72.64	397.43	4.95	-67.69
CCC[N@H+](C)CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028995962	0	50	0.0	-70.25	375.06	4.35	-65.90
CCC[N@@H+](C)CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028995962	1	50	0.0	-70.54	375.44	4.50	-66.04
CN(C(=O)C12CC[N@H+](C1)CCC2)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028995985	0	52	0.0	-79.90	368.40	3.82	-76.08
CN(C(=O)C12CC[N@@H+](C1)CCC2)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028995985	1	52	0.0	-72.32	368.55	3.84	-68.48
CCCCCC[N@H+](C)CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028996024	0	59	0.0	-71.45	439.56	6.70	-64.75
CCCCCC[N@@H+](C)CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028996024	1	59	0.0	-71.72	439.94	6.84	-64.88
CC1CC[NH+](CC(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028996070	0	54	0.0	-70.70	398.41	5.50	-65.20
CN(C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028996095	1	49	0.0	-77.20	390.77	4.16	-73.04
CN(C(=O)COC1CC[NH+](C)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028996102	0	55	0.0	-76.36	415.78	5.10	-71.26
CN(C(=O)C1CC2CCCC[N@@H+]2C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028996160	0	55	0.0	-69.48	399.70	5.55	-63.93
CN(C(=O)C1CC2CCCC[N@H+]2C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028996160	1	55	0.0	-69.01	399.89	5.54	-63.47
CN(C(=O)C1(C[NH+](C)C)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028996172	0	51	0.0	-71.48	382.67	4.51	-66.97
CC1=[NH+]C=C2CCC(C(=O)N(C)C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CN21	REAL300028996173	1	53	0.0	-68.09	399.81	5.40	-62.69
CC(C)[NH+]1CCC(C(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028996183	0	57	0.0	-75.16	406.58	5.29	-69.87
CC[N@H+](C)CCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028996217	0	50	0.0	-71.82	375.93	4.20	-67.62
CC[N@@H+](C)CCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028996217	1	50	0.0	-71.86	375.93	4.21	-67.65
CN(C(=O)C1C[NH+]2CCC1CC2)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028996262	0	52	0.0	-79.70	374.32	4.63	-75.07
CN(C(=O)C1CC[NH+](C)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028996344	0	51	0.0	-78.10	376.00	4.36	-73.74
CN(C(=O)C1CC[NH+](CC2CC2)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028996431	0	58	0.0	-78.83	425.65	6.61	-72.22
CC[NH+](CC)CC(F)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028996474	0	53	0.0	-70.92	394.59	4.82	-66.10
CC(C)C[N@@H+]1CCC(C(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028996508	0	57	0.0	-70.22	417.04	5.78	-64.44
CC(C)C[N@H+]1CCC(C(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028996508	1	57	0.0	-71.54	417.15	5.89	-65.65
CCC(C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](CC)CC	REAL300028996537	0	56	0.0	-66.35	398.23	5.12	-61.23
CC1CCC[N@@H+]1CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028996562	0	51	0.0	-67.19	382.23	4.77	-62.42
CC1CCC[N@H+]1CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028996562	1	51	0.0	-66.84	374.87	4.47	-62.37
CC(C)C1=[NH+]C=CN1CCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028996639	1	55	0.0	-64.93	421.24	6.14	-58.79
CC(C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCCCC1	REAL300028996643	0	57	0.0	-65.92	401.12	5.27	-60.65
CC(C)[N@@H+]1CCCC1C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028996674	0	54	0.0	-67.34	383.44	5.23	-62.11
CC(C)[N@H+]1CCCC1C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028996674	1	54	0.0	-65.55	391.04	4.88	-60.67
CC(C)[N@@H+]1CCCC1CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028996683	0	57	0.0	-63.24	405.73	5.61	-57.63
CC(C)[N@H+]1CCCC1CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028996683	1	57	0.0	-68.91	418.22	5.68	-63.23
CC1CC[N@H+](CC(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028996729	0	51	0.0	-69.40	381.57	4.77	-64.63
CC1CC[N@@H+](CC(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028996729	1	51	0.0	-69.71	381.53	4.85	-64.86
CN(C(=O)C1(F)CC[N@@H+](C(C)(C)C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028996730	0	57	0.0	-66.04	412.44	5.17	-60.87
CN(C(=O)C1(F)CC[N@H+](C(C)(C)C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028996730	1	57	0.0	-66.37	413.35	5.25	-61.12
CC1=[NH+]C=C2CC(C(=O)N(C)C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CCN21	REAL300028996731	1	53	0.0	-69.16	400.57	5.54	-63.62
CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028996734	0	54	0.0	-69.72	401.77	5.35	-64.37
CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028996734	1	54	0.0	-69.46	401.17	5.35	-64.11
CN(C(=O)C[N@H+](C)CC(C)(C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028996735	0	56	0.0	-69.48	406.15	5.51	-63.97
CN(C(=O)C[N@@H+](C)CC(C)(C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028996735	1	56	0.0	-70.19	403.07	5.35	-64.84
CC[C@@H](C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028996744	0	50	0.0	-66.53	360.72	3.89	-62.64
CC(COCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCC1	REAL300028996751	0	58	0.0	-68.39	434.79	5.90	-62.49
CN(CCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=[NH+]C=C1	REAL300028996896	0	53	0.0	-67.55	410.92	4.80	-62.75
CC1=[NH+]C=CN1CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028997004	1	46	0.0	-66.78	365.27	4.55	-62.23
CC(C[NH+]1CCOCC1)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028997006	0	55	0.0	-72.77	402.61	3.56	-69.21
CN(C(=O)CCC[NH+]1CCCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028997024	0	57	0.0	-71.51	421.23	6.34	-65.17
CN(C(=O)C1=NOC(C[NH+](C)C)=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028997039	1	50	0.0	-78.16	392.71	4.37	-73.79
CC1=C(C(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C=CC2=C[NH+]=CN21	REAL300028997041	0	49	0.0	-73.11	388.25	6.76	-66.35
CC(C)C1=[NH+]C=CN1CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028997087	1	52	0.0	-65.42	401.83	5.83	-59.59
CN(C(=O)C1CCCC2CCC[N@@H+]21)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028997134	0	55	0.0	-65.87	392.28	5.37	-60.50
CN(C(=O)C1CCCC2CCC[N@H+]21)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028997134	1	55	0.0	-63.36	395.55	5.55	-57.81
CC[N@@H+]1CCOC(C(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028997165	1	52	0.0	-76.82	385.95	3.88	-72.94
CC[N@H+]1CCOC(C(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028997165	1	52	0.0	-77.40	386.21	3.99	-73.41
CN(C(=O)C1=CN2C=[NH+]C=C2C=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028997227	0	46	0.0	-71.35	363.05	6.22	-65.13
CC1=C[NH+]=CN1CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028997232	1	46	0.0	-69.68	365.98	5.42	-64.26
CN(C(=O)C1=CN(CC[NH+](C)C)N=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028997237	0	54	0.0	-78.07	415.10	4.12	-73.95
CN(C(=O)C1=NN(CC[NH+](C)C)C=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028997250	0	54	0.0	-81.54	418.27	4.93	-76.61
C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300028997257	0	51	0.0	-72.38	371.28	4.27	-68.11
C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300028997257	1	51	0.0	-71.65	377.25	4.22	-67.43
CCC1=[NH+]C=CN1C(C)CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028997259	1	55	0.0	-65.36	421.79	6.20	-59.16
CC[C@@H]1[C@@H](C(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300028997262	0	54	0.0	-75.85	391.35	4.56	-71.29
CC[C@@H]1[C@@H](C(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300028997262	1	54	0.0	-71.21	394.26	4.98	-66.23
CC1CCC(C)[NH+]1CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028997278	0	54	0.0	-66.43	392.77	5.00	-61.43
CN(C(=O)CCC[NH+]1CCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028997285	0	54	0.0	-71.31	406.04	5.66	-65.65
CN(C(=O)C1=CC(C[NH+](C)C)=CC=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028997286	0	54	0.0	-73.37	411.19	6.23	-67.14
C#CC[NH+]1CCC(C(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028997292	0	53	0.0	-79.14	400.58	5.48	-73.66
CN(C(=O)CC[NH+]1CCCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028997293	0	54	0.0	-71.48	399.73	5.54	-65.94
CN(C(=O)CN1C=[NH+]C2=C1CCCC2)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028997311	1	53	0.0	-67.75	407.49	7.04	-60.71
CN(C(=O)C1(C[NH+](C)C)CCCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028997344	0	60	0.0	-70.16	409.38	6.02	-64.14
CN(C(=O)CC[N@H+](C)C1CCCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028997348	0	60	0.0	-72.89	434.59	6.72	-66.17
CN(C(=O)CC[N@@H+](C)C1CCCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028997348	1	60	0.0	-72.41	434.25	6.58	-65.83
CN(C(=O)CC1([NH+](C)C)CCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028997351	0	57	0.0	-73.34	400.05	5.56	-67.78
CN(C(=O)C[N@H+](C)C1CCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028997548	0	51	0.0	-68.59	382.45	5.07	-63.52
CN(C(=O)C[N@@H+](C)C1CCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028997548	1	51	0.0	-68.10	382.00	4.95	-63.15
CC(C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1C(C)CCC1C	REAL300028997573	0	57	0.0	-64.15	401.91	5.22	-58.93
CN(C(=O)CCCC[NH+]1CCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028997592	0	57	0.0	-71.46	427.51	6.45	-65.01
CN(C(=O)C[N@H+](C)CC1=CC=CC=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028997595	1	54	0.0	-74.30	412.54	6.54	-67.76
CN(C(=O)C[N@@H+](C)CC1=CC=CC=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028997595	1	54	0.0	-74.43	412.49	6.54	-67.89
CN(C(=O)C1CC[NH+](C)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028997610	0	51	0.0	-78.10	376.00	4.36	-73.74
CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028997662	0	48	0.0	-67.50	358.32	3.96	-63.54
CN(C(=O)[C@H]1CCC[N@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028997662	1	48	0.0	-69.48	355.24	3.54	-65.94
CN(C(=O)CCC1CCC[N@@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028997693	0	54	0.0	-70.03	397.28	5.01	-65.02
CN(C(=O)CCC1CCC[N@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028997693	1	54	0.0	-72.69	403.59	5.62	-67.07
CN(C(=O)C1CCC2CCCC[N@@H+]21)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028997709	0	55	0.0	-64.93	400.77	5.87	-59.06
CN(C(=O)C1CCC2CCCC[N@H+]21)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028997709	1	55	0.0	-64.80	400.50	5.77	-59.03
CCC[N@@H+]1CCCC(C(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028997786	0	57	0.0	-64.33	408.59	5.93	-58.40
CCC[N@H+]1CCCC(C(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028997786	1	57	0.0	-73.87	414.78	5.70	-68.17
CC(C)[N@@H+]1CCOC(C(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028997802	1	55	0.0	-68.57	396.00	4.33	-64.24
CC(C)[N@H+]1CCOC(C(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028997802	1	55	0.0	-70.31	394.08	4.21	-66.10
CN(C(=O)C[NH+]1CCC(CO)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028997876	0	55	0.0	-72.00	409.24	2.18	-69.82
CN(C(=O)C=C1CC2CCC(C1)[NH+]2C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028997913	0	56	0.0	-69.15	407.72	5.71	-63.44
CC1C(C(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300028997931	0	51	0.0	-72.94	371.42	4.60	-68.34
CC1C(C(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300028997931	1	51	0.0	-71.73	377.46	4.60	-67.13
CN(C(=O)CCC1CCCC[N@@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028997935	0	57	0.0	-73.16	410.15	5.89	-67.27
CN(C(=O)CCC1CCCC[N@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028997935	1	57	0.0	-73.90	410.18	5.87	-68.03
CN(C(=O)C1=CC2=C(CCC2)[NH+]=C1N)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028997968	1	51	0.0	-62.20	391.97	3.72	-58.48
CN(C(=O)C1CC[N@@H+]1C(C)(C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998034	0	54	0.0	-66.14	397.08	4.66	-61.48
CN(C(=O)C1CC[N@H+]1C(C)(C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998034	1	54	0.0	-67.14	377.66	4.02	-63.12
CN(C(=O)C1CCN(C2=CC=[NH+]C=C2)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998052	0	54	0.0	-74.21	408.56	3.32	-70.89
C[C@@H](C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028998057	0	47	0.0	-67.72	350.26	3.28	-64.44
CN(C(=O)C1=CC=NC(C[NH+](C)C)=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998077	1	53	0.0	-70.42	408.68	4.79	-65.63
C=CCC(C)(C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028998083	0	54	0.0	-65.00	382.18	4.60	-60.40
CC[NH+](CC)CCSCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998116	0	57	0.0	-73.50	438.77	6.46	-67.04
CN(C(=O)C1=C(N)C2=CC=CC=C2[NH+]=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998117	1	50	0.0	-64.84	386.68	3.22	-61.62
CN(C(=O)CC[NH+]1CCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998122	0	51	0.0	-71.27	384.16	4.71	-66.56
CN(C(=O)C[N@H+](C)CCO)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998131	1	48	0.0	-71.18	364.30	0.52	-70.66
CN(C(=O)C[N@@H+](C)CCO)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998131	1	48	0.0	-70.56	363.92	0.40	-70.16
CN(C(=O)C1C[N@@H+]2CCN1CCC2)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998169	0	54	0.0	-76.74	381.15	2.14	-74.60
CN(C(=O)C1C[N@H+]2CCN1CCC2)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998169	1	54	0.0	-76.03	379.17	2.41	-73.62
CC(C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCSCC1	REAL300028998196	1	52	0.0	-75.00	385.92	4.59	-70.41
CN(C(=O)CC1=CC[N@H+](C)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998240	0	52	0.0	-70.01	395.31	5.46	-64.55
CN(C(=O)CC1=CC[N@@H+](C)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998240	1	52	0.0	-68.50	395.35	5.46	-63.04
CN(C(=O)C(O)CC[S+](C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998255	0	50	0.0	-73.09	397.62	2.57	-70.52
CN(C(=O)C1CN(C)CC[N@H+](C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998294	0	56	0.0	-69.40	403.54	3.05	-66.35
CN(C(=O)C1CN(C)CC[N@@H+](C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998294	1	56	0.0	-71.31	398.72	2.77	-68.54
CC(C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[N@@H+]1CCCC(O)C1	REAL300028998295	0	55	0.0	-68.88	402.01	1.75	-67.13
CC(C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[N@H+]1CCCC(O)C1	REAL300028998295	1	55	0.0	-66.93	402.05	1.75	-65.18
CN(C(=O)CC1(O)CCC[N@H+](C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998334	0	55	0.0	-67.02	406.28	3.35	-63.67
CN(C(=O)CC1(O)CCC[N@@H+](C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998334	1	55	0.0	-67.78	397.16	3.32	-64.46
CC1C[NH+](CC(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028998340	1	48	0.0	-70.56	366.04	4.14	-66.42
CC[N@@H+]1CCCC(C(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028998346	0	54	0.0	-67.12	386.61	5.15	-61.97
CC[N@H+]1CCCC(C(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028998346	1	54	0.0	-69.48	393.24	5.02	-64.46
CN(C(=O)CC1=CC=C[NH+]=C1N)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998357	0	47	0.0	-66.40	370.46	2.94	-63.46
CN(C(=O)C1CCC[N@@H+]1C1CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998370	0	52	0.0	-68.00	381.13	4.85	-63.15
CN(C(=O)C1CCC[N@H+]1C1CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998370	1	52	0.0	-66.89	385.31	4.95	-61.94
CN(C(=O)C=CC[NH+]1CCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998420	0	52	0.0	-73.78	397.69	5.54	-68.24
CN(C(=O)C1CC[NH+](C2CC2)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998445	0	55	0.0	-75.39	400.74	5.54	-69.85
CC[N@H+](C)CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998490	0	47	0.0	-70.08	353.92	3.76	-66.32
CN(C(=O)CN1CC2C=CC1C2)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998555	0	50	0.0	-68.25	375.32	5.07	-63.18
CN(C(=O)C[N@@H+]1CC2C=CC1C2)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998555	1	50	0.0	-66.66	375.34	4.98	-61.68
CN(C(=O)C[N@H+]1CC2C=CC1C2)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998555	1	50	0.0	-66.66	375.34	4.98	-61.68
CC1=CC=C(NCCC(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)N=C1	REAL300028998578	0	53	0.0	-66.72	415.07	4.53	-62.19
CC1=CC=C(NCCC(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)[NH+]=C1	REAL300028998578	1	53	0.0	-66.72	415.07	4.53	-62.19
CC(OCC[NH+](C)C)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998714	0	54	0.0	-68.26	406.76	4.65	-63.61
CN(C(=O)CCOCC[NH+](C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998726	0	54	0.0	-70.77	413.04	3.91	-66.86
COCCN(C)CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998728	0	51	0.0	-70.47	386.17	2.81	-67.66
COCC[N@H+](C)CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998728	1	51	0.0	-71.34	386.55	2.92	-68.42
COCC[N@@H+](C)CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998728	1	51	0.0	-71.34	386.55	2.92	-68.42
CC(CCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028998735	0	53	0.0	-70.49	393.58	4.87	-65.62
CC[N@H+](CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300028998770	0	51	0.0	-67.40	382.24	5.12	-62.28
CC1C[N@@H+]2CCN1C(C(=O)N(C)C1CCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300028998781	0	54	0.0	-75.14	385.42	1.79	-73.35
CC1=NC(N)=CC=C1C=CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998823	0	51	0.0	-69.62	399.99	3.65	-65.97
CC1=[NH+]C(N)=CC=C1C=CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998823	1	51	0.0	-69.62	399.99	3.65	-65.97
CN(C(=O)C[N@@H+]1CC2CCC1C2)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998831	0	52	0.0	-68.08	382.75	5.20	-62.88
CN(C(=O)C[N@H+]1CC2CCC1C2)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998831	1	52	0.0	-68.08	382.75	5.20	-62.88
CC(C)[NH+]1CCC(CC(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028998845	0	60	0.0	-67.85	429.69	6.32	-61.53
CC(C[NH+](C)C)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998859	0	50	0.0	-71.77	369.70	4.10	-67.67
C[C@H](C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028998899	0	47	0.0	-68.38	351.75	3.33	-65.05
CC[N@@H+]1CCC1C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998911	1	48	0.0	-67.94	359.96	3.67	-64.27
CC[N@H+]1CCC1C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998911	1	48	0.0	-67.65	359.70	3.73	-63.92
CC(C)[N@@H+]1CCCC(C(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028998924	0	57	0.0	-64.29	403.99	5.82	-58.47
CC(C)[N@H+]1CCCC(C(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028998924	1	57	0.0	-65.61	402.45	5.75	-59.86
CCC(C)(C)[NH2+]C(C)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998942	0	56	0.0	-68.44	399.91	3.91	-64.53
C#CC[N@H+]1CCCCC1C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998992	1	53	0.0	-66.97	402.12	5.88	-61.09
C#CC[N@@H+]1CCCCC1C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998992	1	53	0.0	-67.64	389.59	5.25	-62.39
CNC1=[NH+]C(C)=CC=C1C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998995	1	50	0.0	-64.33	384.96	3.72	-60.61
CN(C(=O)C1=C[NH+]=CC=C1N)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028998996	0	44	0.0	-70.69	343.81	1.03	-69.66
CCCC(C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300028999008	0	53	0.0	-68.60	385.26	4.79	-63.81
CC(CC[NH+](C)C)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999036	0	53	0.0	-71.97	391.33	4.72	-67.25
CN(C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999094	0	58	0.0	-73.55	400.99	5.45	-68.10
CN(C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999094	1	58	0.0	-64.74	405.97	6.29	-58.45
COCCCC[N@H+](C)CCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999171	0	60	0.0	-76.36	452.60	4.79	-71.57
COCCCC[N@@H+](C)CCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999171	1	60	0.0	-76.34	452.60	4.80	-71.54
CN(C(=O)C1CC(C)(C)C[N@@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999181	0	54	0.0	-67.44	397.75	5.13	-62.31
CN(C(=O)C1CC(C)(C)C[N@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999181	1	54	0.0	-65.83	400.32	4.93	-60.90
CN(C(=O)CCCCC[NH+](C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999187	0	56	0.0	-72.14	423.07	6.04	-66.10
CN(C(=O)CC[NH+]1CCC(O)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999192	0	55	0.0	-74.94	410.92	2.07	-72.87
CCC[N@@H+]1CCCCC1C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999197	0	57	0.0	-67.27	408.12	5.60	-61.67
CCC[N@H+]1CCCCC1C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999197	1	57	0.0	-67.18	407.94	5.65	-61.53
CC[NH+]1CCN(CCC(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028999206	0	59	0.0	-71.65	433.94	3.61	-68.04
CCN1CC[NH+](CCC(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028999206	1	59	0.0	-72.88	434.82	3.79	-69.09
CN(C(=O)CN1CC[NH+](C)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999210	1	53	0.0	-70.35	394.89	2.46	-67.89
CC(C)C[NH+]1CCC(C(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028999334	0	60	0.0	-77.58	432.10	6.41	-71.17
CC1C[N@H+](C)CC(C(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028999337	1	52	0.0	-78.42	382.86	4.07	-74.35
CC1C[N@@H+](C)CC(C(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300028999337	1	52	0.0	-78.86	384.31	3.94	-74.92
CCC1CCC[N@H+](CC(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028999373	0	57	0.0	-70.54	410.16	6.18	-64.36
CCC1CCC[N@@H+](CC(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028999373	1	57	0.0	-70.45	417.13	6.20	-64.25
CN(C(=O)C1=CC=C(C[NH+](C)C)N1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999383	0	52	0.0	-78.05	398.15	4.43	-73.62
CN(C(=O)C[NH+]1CC2CC2C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999405	0	49	0.0	-70.04	371.17	4.82	-65.22
CN(C(=O)CC1([NH+]2CCCC2)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999423	0	55	0.0	-67.48	401.23	5.88	-61.60
CC([NH2+]C1(CO)CCCC1)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999440	0	58	0.0	-73.24	414.14	0.78	-72.46
CN(C(=O)C1CCCC[N@@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999469	0	51	0.0	-67.29	376.93	4.70	-62.59
CN(C(=O)C1CCCC[N@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999469	1	51	0.0	-70.24	369.56	4.29	-65.95
CN(C(=O)C1CC[N@@H+]1CC1=CC=CC=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999475	1	55	0.0	-69.19	418.36	6.54	-62.65
CN(C(=O)C1CC[N@H+]1CC1=CC=CC=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999475	1	55	0.0	-68.86	420.26	6.67	-62.19
CC(C)C[N@@H+]1CCCC(C(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028999482	0	60	0.0	-67.72	425.91	6.61	-61.11
CC(C)C[N@H+]1CCCC(C(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028999482	1	60	0.0	-67.99	423.39	6.62	-61.37
CN(C(=O)CN1CCC([NH+](C)C)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999537	0	59	0.0	-70.58	429.52	3.78	-66.80
CN(C(=O)C=C1CC[N@H+](C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999602	0	49	0.0	-74.40	373.26	4.71	-69.69
CN(C(=O)C=C1CC[N@@H+](C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999602	1	49	0.0	-74.19	374.23	4.66	-69.53
CN(C(=O)CNC1=CC=[NH+]C=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999609	0	47	0.0	-69.94	371.55	2.22	-67.72
CC[NH+]1CCN(CC(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028999671	0	56	0.0	-69.51	412.96	3.26	-66.25
CN(C(=O)C=C1C[NH+]2CCC1CC2)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999672	0	53	0.0	-67.54	391.14	5.37	-62.17
CN(C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999731	0	55	0.0	-69.21	407.18	2.32	-66.89
CN(C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999731	1	55	0.0	-65.84	406.44	2.38	-63.46
CN(C(=O)C1C[NH+](C2CCOCC2)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999740	0	56	0.0	-76.22	418.99	4.07	-72.15
CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999755	0	48	0.0	-67.79	354.77	3.49	-64.30
CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999755	1	48	0.0	-71.56	362.09	3.95	-67.61
CC[N@@H+]1CCOCC1CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999793	0	55	0.0	-72.44	399.65	3.45	-68.99
CN(C(=O)C1C[NH+](C2CCCCC2)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999819	0	58	0.0	-73.52	426.61	6.24	-67.28
CN(C(=O)CCC1=CC=C(N)[NH+]=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999847	0	50	0.0	-69.59	394.85	3.49	-66.10
CN(C(=O)CC1=CC2=C[NH+]=CN2C=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999854	0	49	0.0	-69.68	390.62	7.31	-62.37
CN(C(=O)C1=CC=C2NC(N)=[NH+]C2=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999895	1	48	0.0	-70.26	377.15	3.99	-66.27
CN(C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999940	0	51	0.0	-72.03	384.34	4.67	-67.36
CC1CCCC(C)[NH+]1CCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999952	0	60	0.0	-68.60	426.72	6.23	-62.37
CN(C(=O)C1CCC([NH+](C)C)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999955	0	57	0.0	-68.05	402.84	5.31	-62.74
CN(C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999959	0	57	0.0	-67.11	401.99	5.42	-61.69
CN(C(=O)CC1CC=CC[N@@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999960	0	52	0.0	-73.49	387.24	5.18	-68.31
CN(C(=O)CC1CC=CC[N@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028999960	1	52	0.0	-73.49	387.24	5.18	-68.31
CC1=CC(C=CC(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CN=C1N	REAL300029000022	0	51	0.0	-72.53	400.56	4.10	-68.43
CC1=CC(C=CC(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C[NH+]=C1N	REAL300029000022	1	51	0.0	-72.53	400.56	4.10	-68.43
CN(C(=O)COCC[NH+](C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000037	0	51	0.0	-70.21	392.09	4.18	-66.03
CCCCC[N@H+](C)CCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000044	0	59	0.0	-73.49	440.43	6.51	-66.98
CCCCC[N@@H+](C)CCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000044	1	59	0.0	-73.49	440.43	6.51	-66.98
CN(C(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000056	0	55	0.0	-71.65	412.39	4.95	-66.70
CN(C(=O)CN1C=CSC1=[NH2+])C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000082	0	44	0.0	-65.87	363.28	3.27	-62.60
C[C@@H](OCC[NH+](C)C)C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000161	0	54	0.0	-68.29	406.77	4.64	-63.65
CN(C(=O)CC[NH+]1CCCCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000219	0	57	0.0	-72.84	409.85	5.62	-67.22
CN(C(=O)C[NH+]1CCCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000223	0	51	0.0	-69.54	377.69	4.85	-64.69
CN(C(=O)C1CCC[N@H+](C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000225	0	51	0.0	-65.47	369.66	4.63	-60.84
CN(C(=O)C1CCC[N@@H+](C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000225	1	51	0.0	-67.43	370.70	4.71	-62.72
CN(C(=O)C[NH+]1CCC(CO)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000227	0	55	0.0	-72.00	409.24	2.18	-69.82
CN(C(=O)C[NH+]1CCCCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000233	0	54	0.0	-69.55	387.52	5.14	-64.41
CN(C(=O)C[N+]1=CN(C)C=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000240	0	46	0.0	-67.94	367.07	6.46	-61.48
CN(C(=O)C1=CC=C(C[NH+](C)C)O1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000258	1	51	0.0	-77.00	397.05	4.83	-72.17
CN(C(=O)C1=CC=C(C[NH+](C)C)N=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000266	0	53	0.0	-76.57	408.54	4.79	-71.78
CN(C(=O)C[NH+]1CCC(O)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000280	1	52	0.0	-74.56	389.23	1.51	-73.05
CN(C(=O)C[N@@H+](C)C1CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000287	1	48	0.0	-68.05	365.59	4.50	-63.55
CC(C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)N1CC[NH+](C)CC1	REAL300029000289	1	56	0.0	-71.97	409.10	2.79	-69.18
CN(C(=O)CC[N@H+]1CCC(F)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000294	1	51	0.0	-76.10	390.15	4.83	-71.27
CC(CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300029000329	0	53	0.0	-72.41	393.39	5.14	-67.27
CN(C(=O)C1CC[N@@H+]2CCOCC12)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000349	0	53	0.0	-74.40	391.24	3.11	-71.29
CN(C(=O)C1CC[N@H+]2CCOCC12)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000349	1	53	0.0	-74.75	392.12	3.26	-71.49
CC1=[NH+]C=C2C=CC(C(=O)N(C)C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)=CN21	REAL300029000357	0	49	0.0	-69.13	392.18	6.16	-62.97
CN(C(=O)CC1COCCN1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000378	0	52	0.0	-66.75	379.33	2.81	-63.94
CN(C(=O)CC1COCC[N@@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000378	1	52	0.0	-68.28	379.30	2.79	-65.49
CN(C(=O)CC1COCC[N@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000378	1	52	0.0	-66.75	379.33	2.81	-63.94
CC[NH+]1CCN(CC(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029000389	0	56	0.0	-69.51	412.96	3.26	-66.25
CC1=CC(N)=[NH+]C=C1C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000443	1	47	0.0	-70.18	364.19	2.33	-67.85
CN(C(=O)CCC1=CC=C(N)[NH+]=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000446	0	50	0.0	-69.59	394.85	3.49	-66.10
CN(C(=O)C[N@H+]1CCC(C)(O)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000500	1	52	0.0	-70.51	392.76	1.50	-69.01
CN(C(=O)C1=CC=NN1CC[NH+](C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000510	0	54	0.0	-67.37	410.68	4.20	-63.17
CN(C(=O)CC1C[NH+](C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000541	0	48	0.0	-71.06	367.28	3.80	-67.26
CN(C(=O)C1CC[N@@H+]1C1CCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000547	0	55	0.0	-70.00	406.48	5.96	-64.04
CN(C(=O)C1CC[N@H+]1C1CCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000547	1	55	0.0	-69.53	405.09	5.68	-63.85
CN(C(=O)C[NH+](C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000557	0	44	0.0	-71.02	336.21	3.09	-67.93
CN(C(=O)CC[N@H+](C)CCO)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000598	0	51	0.0	-72.08	386.63	1.13	-70.95
CN(C(=O)CC[N@@H+](C)CCO)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000598	1	51	0.0	-71.11	386.14	0.99	-70.12
C[C@@H](C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029000599	0	47	0.0	-67.72	350.26	3.28	-64.44
CN(C(=O)CC1CCCC[N@@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000619	0	54	0.0	-64.88	387.94	5.20	-59.68
CN(C(=O)CC1CCCC[N@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000619	1	54	0.0	-72.76	394.58	5.21	-67.55
CC1=C2C=C(C(=O)N(C)C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300029000645	1	49	0.0	-72.32	392.80	6.97	-65.35
CC(C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CC(C)C1	REAL300029000646	0	51	0.0	-72.07	380.38	4.43	-67.64
CC1CCN1CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000651	0	48	0.0	-68.97	367.50	4.17	-64.80
CC1CC[N@@H+]1CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000651	1	48	0.0	-68.61	367.28	4.07	-64.54
CC1CC[N@H+]1CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000651	1	48	0.0	-68.97	367.50	4.17	-64.80
CN(C(=O)C=CC[NH+](C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000666	0	48	0.0	-75.03	371.35	4.33	-70.70
CN(C(=O)C[NH+]1CC(C)(C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000680	1	51	0.0	-70.29	387.00	4.77	-65.52
CN(C(=O)CCCC[NH+]1CCCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000694	0	60	0.0	-71.69	442.73	7.13	-64.56
CC1=C(C)[NH+]=C(CCC(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300029000707	1	52	0.0	-66.03	406.45	4.42	-61.61
CN(C(=O)C1(C2CC[NH+](C)CC2)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000717	0	58	0.0	-72.82	420.84	6.15	-66.67
CC1=C2C=C(C(=O)N(C)C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300029000726	1	49	0.0	-72.32	392.80	6.97	-65.35
CN(C(=O)CSCC[NH+](C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000736	0	51	0.0	-75.74	403.11	5.09	-70.65
CN(C(=O)C1=CC2=C(CCCC2)[NH+]=C1N)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000758	1	54	0.0	-62.36	407.33	4.33	-58.03
CN(C(=O)C[N@H+]1CCCC1CO)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000766	1	52	0.0	-67.08	381.75	1.54	-65.54
CC[NH+](CC)CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000769	0	50	0.0	-68.62	367.78	4.17	-64.45
CN(C(=O)C[N@@H+](C)C1CCSC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000782	1	52	0.0	-75.52	395.18	5.19	-70.33
CN(C(=O)C[NH+]1CCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000784	1	45	0.0	-70.39	345.93	3.36	-67.03
CC[NH+](CC)CCC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000829	0	53	0.0	-71.43	389.89	4.76	-66.67
CN(C(=O)C[NH+]1CCC(C(N)=O)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000851	0	55	0.0	-80.62	413.83	1.64	-78.98
CN(C(=O)C1=CC(C[NH+](C)C)=CN1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000897	0	52	0.0	-74.75	397.69	4.60	-70.15
CC(C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC(O)CC1	REAL300029000917	0	55	0.0	-69.84	403.63	1.84	-68.00
CN(C(=O)C1CC2COCC[N@@H+]2C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000923	0	53	0.0	-70.12	390.80	3.19	-66.93
CN(C(=O)C1CC2COCC[N@H+]2C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000923	1	53	0.0	-72.19	391.17	3.16	-69.03
CC(C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC1	REAL300029000939	1	48	0.0	-71.72	360.28	3.74	-67.98
CCC(CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300029000949	0	56	0.0	-73.05	407.46	5.62	-67.43
CN(C(=O)C=CC1=CC=C(N)[NH+]=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000956	0	48	0.0	-73.16	382.38	3.20	-69.96
CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029001021	0	51	0.0	-66.20	376.01	4.63	-61.57
CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029001021	1	51	0.0	-70.28	369.53	4.30	-65.98
CC1CN2CC[N@@H+]1CC2C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029001035	0	54	0.0	-74.79	385.68	1.64	-73.15
CC1CN2CC[N@H+]1CC2C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029001035	1	54	0.0	-72.41	385.50	1.67	-70.74
CN(C(=O)CC(O)C[NH+](C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029001060	0	51	0.0	-75.44	389.02	2.12	-73.32
CN(C(=O)C1CC2CCC(C1)[NH+]2C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029001063	0	55	0.0	-66.13	366.40	4.67	-61.46
C=CCC(C(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029001109	0	51	0.0	-66.81	377.77	4.53	-62.28
CN(C(=O)C1CC2CCCC[N@@H+]2C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029001119	0	55	0.0	-69.48	399.70	5.55	-63.93
CN(C(=O)C1CC2CCCC[N@H+]2C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029001119	1	55	0.0	-69.01	399.89	5.54	-63.47
CN(C(=O)CC1(O)CC[NH+](C)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029001135	0	55	0.0	-69.59	403.82	3.52	-66.07
COCC[N@@H+]1CCCC1CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029001150	0	58	0.0	-70.60	425.28	4.47	-66.13
COCC[N@H+]1CCCC1CC(=O)N(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029001150	1	58	0.0	-70.97	427.48	4.14	-66.83
CN(C(=O)CC1CC2CCC(C1)[NH+]2C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029001159	0	58	0.0	-70.19	401.51	5.44	-64.75
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=NN2CC[NH+](C)C)CC1	REAL300029001197	0	54	0.0	-69.86	412.24	4.37	-65.49
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2(C3CC[NH+](C)CC3)CC2)CC1	REAL300029001244	0	58	0.0	-73.52	421.98	6.26	-67.26
CC1=C2C=C(C(=O)N3CCC(N(C)C(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300029001256	1	49	0.0	-74.47	387.68	6.90	-67.57
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CSCC[NH+](C)C)CC1	REAL300029001267	0	51	0.0	-77.77	403.86	5.18	-72.59
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC3COCC[N@@H+]3C2)CC1	REAL300029001279	0	53	0.0	-75.34	391.45	3.32	-72.02
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC3COCC[N@H+]3C2)CC1	REAL300029001279	1	53	0.0	-73.11	391.01	3.38	-69.73
C[N@@H+]1CCCC1C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029001443	0	51	0.0	-62.59	371.76	4.05	-58.54
C[N@H+]1CCCC1C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029001443	1	51	0.0	-53.53	372.76	4.69	-48.84
CC(C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300029001623	0	60	0.0	-52.47	415.97	6.10	-46.37
CC(C)[N@@H+]1CCCC1C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029001642	0	57	0.0	-50.40	391.27	5.53	-44.87
CC(C)[N@H+]1CCCC1C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029001642	1	57	0.0	-55.76	394.09	5.72	-50.04
CC(C)(NC(=O)C1CC2CCCC[N@@H+]2C1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029001655	0	58	0.0	-57.39	413.51	5.83	-51.56
CC(C)(NC(=O)C1CC2CCCC[N@H+]2C1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029001655	1	58	0.0	-60.82	413.41	5.71	-55.11
CC(C)C1=[NH+]C=CN1CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029001674	1	55	0.0	-59.64	411.61	5.81	-53.83
CC1=[NH+]C=CN1CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029001700	1	49	0.0	-60.09	375.38	4.69	-55.40
CC(C[NH+]1CCOCC1)C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029001701	1	58	0.0	-59.88	415.02	4.35	-55.53
CC(C)(NC(=O)CCC[NH+]1CCCCC1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029001714	0	60	0.0	-66.54	431.00	6.29	-60.25
CC(C)(NC(=O)C1C[NH+]2CCC1CC2)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029001737	0	55	0.0	-60.17	387.35	4.88	-55.29
CC(C)(NC(=O)C1CCCC2CCC[N@@H+]21)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029001774	0	58	0.0	-61.46	402.52	5.47	-55.99
CC(C)(NC(=O)C1CCCC2CCC[N@H+]21)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029001774	1	58	0.0	-59.79	402.02	5.62	-54.17
C[C@@H]1[C@H](C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029001786	0	54	0.0	-71.25	383.14	3.99	-67.26
C[C@@H]1[C@H](C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029001786	1	54	0.0	-61.68	387.88	5.35	-56.33
CC[C@@H]1[C@@H](C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029001789	0	57	0.0	-69.63	403.28	4.75	-64.88
CC[C@@H]1[C@@H](C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029001789	1	57	0.0	-60.57	407.79	5.89	-54.68
CC[N@@H+]1CCOC(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029001797	1	55	0.0	-55.69	398.83	4.60	-51.09
CC[N@H+]1CCOC(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029001797	1	55	0.0	-53.12	394.16	3.89	-49.23
CC[NH+](CC)CC(F)C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029001828	0	56	0.0	-59.40	404.60	4.65	-54.75
CC1CCC(C)[NH+]1CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029001879	0	57	0.0	-59.33	403.11	4.91	-54.42
CC(C)(NC(=O)CCC[NH+]1CCCC1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029001885	0	57	0.0	-59.82	416.71	6.18	-53.64
C#CC[NH+]1CCC(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029001889	0	56	0.0	-61.75	412.87	6.43	-55.32
CC(C)(NC(=O)CC[NH+]1CCCCC1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029001890	0	57	0.0	-57.03	410.88	6.07	-50.96
CC(C)C[N@@H+]1CCC(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029001908	0	60	0.0	-62.21	430.51	6.03	-56.18
CC(C)C[N@H+]1CCC(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029001908	1	60	0.0	-67.33	430.18	6.00	-61.33
CC(C)[N@@H+]1CCCC1CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029001913	0	60	0.0	-62.68	419.48	5.23	-57.45
CC(C)[N@H+]1CCCC1CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029001913	1	60	0.0	-56.96	425.79	6.26	-50.70
C[N@H+](CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029001957	0	54	0.0	-60.86	392.16	5.06	-55.80
C[N@@H+](CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029001957	1	54	0.0	-53.82	393.03	5.62	-48.20
CC(C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300029002003	0	60	0.0	-49.98	415.12	6.05	-43.93
C[N@@H+]1CCCC1CCC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029002062	0	57	0.0	-61.65	414.32	6.13	-55.52
C[N@H+]1CCCC1CCC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029002062	1	57	0.0	-66.99	408.04	5.13	-61.86
CC(C)(NC(=O)C1CCC2CCCC[N@@H+]21)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029002071	0	58	0.0	-62.10	407.20	5.39	-56.71
CC(C)(NC(=O)C1CCC2CCCC[N@H+]21)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029002071	1	58	0.0	-52.15	411.29	6.68	-45.47
CC(C)(NC(=O)CCCC[NH+]1CCCC1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029002085	0	60	0.0	-67.85	437.28	6.40	-61.45
C[NH+]1CCC(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029002096	0	54	0.0	-59.16	388.20	5.28	-53.88
C[NH+](C)CC1=CC(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)=NO1	REAL300029002119	1	53	0.0	-72.00	406.02	4.68	-67.32
CC1=C(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300029002120	0	52	0.0	-74.44	398.21	6.84	-67.60
CC(C)(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029002245	0	49	0.0	-67.66	376.09	6.58	-61.08
CC1=[NH+]C=CN1CCCC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029002253	1	55	0.0	-57.50	417.85	6.56	-50.94
CC(C)(NC(=O)CC[NH+]1CCOCC1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029002258	1	55	0.0	-60.09	402.15	3.65	-56.44
CC1=C[NH+]=CN1CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029002282	1	49	0.0	-66.22	374.66	5.38	-60.84
C[NH+](C)C1CCCC(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029002333	0	60	0.0	-58.29	415.74	6.29	-52.00
C[N@@H+]1CCC(CC(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029002336	0	54	0.0	-60.55	393.66	5.22	-55.33
C[N@H+]1CCC(CC(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029002336	1	54	0.0	-66.62	393.01	4.56	-62.06
CCC(C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029002351	0	53	0.0	-59.97	374.65	4.12	-55.85
C[NH+](C)C1(CC(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029002363	0	60	0.0	-58.82	410.73	6.09	-52.73
CC(C)(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029002394	1	49	0.0	-65.06	376.24	7.15	-57.91
C[NH+](C)CCCCC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029002439	0	56	0.0	-63.87	412.24	5.78	-58.09
CCC[N@H+](C)CCC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029002457	0	56	0.0	-66.58	407.54	5.03	-61.55
CCC[N@@H+](C)CCC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029002457	1	56	0.0	-66.26	407.55	5.05	-61.21
CCC[N@H+](C)CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029002461	0	53	0.0	-64.05	385.18	4.46	-59.59
CCC[N@@H+](C)CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029002461	1	53	0.0	-54.52	386.10	5.06	-49.46
CC(C)(NC(=O)C12CC[N@H+](C1)CCC2)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029002479	0	55	0.0	-66.82	386.81	4.40	-62.42
CC(C)(NC(=O)C12CC[N@@H+](C1)CCC2)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029002479	1	55	0.0	-63.51	384.08	4.96	-58.55
C[N@@H+]1CCC[C@@H]1C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029002510	0	51	0.0	-57.32	366.43	3.58	-53.74
C[N@H+]1CCC[C@@H]1C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029002510	1	51	0.0	-53.03	373.17	4.72	-48.31
CCCCCC[N@H+](C)CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029002557	0	62	0.0	-65.06	449.67	6.80	-58.26
CCCCCC[N@@H+](C)CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029002557	1	62	0.0	-55.40	450.59	7.40	-48.00
CC[NH+](CC)CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029002568	0	53	0.0	-52.48	382.52	4.99	-47.49
CCC[N@@H+]1CCCC(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029002594	0	60	0.0	-58.56	423.41	6.25	-52.31
CCC[N@H+]1CCCC(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029002594	1	60	0.0	-66.13	429.81	6.09	-60.04
CC(C)[N@@H+]1CCOC(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029002605	1	58	0.0	-55.88	414.57	5.06	-50.82
CC(C)[N@H+]1CCOC(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029002605	1	58	0.0	-53.17	410.79	4.39	-48.78
CC1CC[NH+](CC(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029002633	0	57	0.0	-63.34	408.66	5.56	-57.78
C[NH+]1CCC(OCC(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029002654	0	58	0.0	-67.06	426.83	5.59	-61.47
C[NH+](C)CC1(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029002664	0	54	0.0	-65.69	398.93	5.37	-60.32
CC(C)[NH+]1CCC(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029002726	0	60	0.0	-56.59	422.51	6.47	-50.12
C[NH+]1CCC(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029002741	0	54	0.0	-59.16	388.20	5.28	-53.88
CCC(C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300029002771	0	59	0.0	-49.87	412.06	6.00	-43.87
CC[N@H+](C)CCC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029002823	0	53	0.0	-58.10	386.98	4.86	-53.24
CC[N@@H+](C)CCC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029002823	1	53	0.0	-57.82	386.97	4.87	-52.95
CC1CCC[N@@H+]1CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029002868	0	54	0.0	-52.02	392.95	5.30	-46.72
CC1CCC[N@H+]1CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029002868	1	54	0.0	-51.99	385.65	5.04	-46.95
CC1CC[N@H+](CC(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029002870	0	54	0.0	-63.51	392.05	4.76	-58.75
CC1CC[N@@H+](CC(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029002870	1	54	0.0	-53.55	392.94	5.38	-48.17
CC(C)(NC(=O)C[N@@H+]1CCC(C)(C)C1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029002873	0	57	0.0	-53.61	412.49	5.91	-47.70
CC(C)(NC(=O)C[N@H+]1CCC(C)(C)C1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029002873	1	57	0.0	-53.33	412.07	5.91	-47.42
C[N@H+](CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029002874	0	59	0.0	-53.66	414.15	6.04	-47.62
C[N@@H+](CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029002874	1	59	0.0	-63.15	416.59	5.57	-57.58
CC[C@@H](C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029002881	0	53	0.0	-62.63	375.01	4.14	-58.49
C[NH+]1CCC(O)(CC(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029003018	0	58	0.0	-65.61	416.46	3.21	-62.40
C[NH+](C)CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003028	0	47	0.0	-55.50	346.88	3.65	-51.85
CC(C)(NC(=O)C[NH+]1CCC(CO)CC1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003031	0	58	0.0	-64.24	420.14	2.18	-62.06
CC(C)(NC(=O)C[NH+]1CCCCCC1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003032	0	57	0.0	-62.35	397.03	5.08	-57.27
CN1C=C[N+](CC(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029003036	0	49	0.0	-52.96	378.15	7.15	-45.81
C[N@@H+]1CCCC(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029003042	0	54	0.0	-58.38	384.30	4.91	-53.47
C[N@H+]1CCCC(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029003042	1	54	0.0	-56.84	385.20	5.47	-51.37
CC(C)(NC(=O)C1CCC[N@@H+]1C1CC1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003046	0	55	0.0	-57.67	396.94	5.76	-51.91
CC(C)(NC(=O)C1CCC[N@H+]1C1CC1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003046	1	55	0.0	-51.90	398.18	6.08	-45.82
CC(C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300029003068	1	51	0.0	-62.60	374.57	4.06	-58.54
CCC(CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029003073	0	59	0.0	-64.03	418.13	6.13	-57.90
CC(C)(NC(=O)C[NH+]1CCC(O)CC1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003099	1	55	0.0	-66.69	399.40	1.54	-65.15
C[N@H+](CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029003100	0	51	0.0	-60.55	375.22	4.47	-56.08
C[N@@H+](CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029003100	1	51	0.0	-61.77	375.36	4.49	-57.28
CC(C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300029003101	1	59	0.0	-64.38	417.81	3.46	-60.92
C[NH+]1CC(CC(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029003116	0	51	0.0	-61.76	378.31	4.46	-57.30
CC(C)(NC(=O)C1CC[N@@H+]1C1CCCC1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003120	0	58	0.0	-54.09	411.44	6.11	-47.98
CC(C)(NC(=O)C1CC[N@H+]1C1CCCC1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003120	1	58	0.0	-54.15	417.52	6.43	-47.72
CC(C)(C)[N@@H+]1CCC1C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003127	0	57	0.0	-62.21	390.76	3.99	-58.22
CC(C)(C)[N@H+]1CCC1C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003127	1	57	0.0	-53.53	388.12	4.61	-48.92
C[C@@H](C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029003138	0	50	0.0	-56.14	364.05	4.05	-52.09
CCC1CCC[N@H+](CC(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029003172	0	60	0.0	-65.28	419.39	5.70	-59.58
CCC1CCC[N@@H+](CC(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029003172	1	60	0.0	-53.88	427.89	6.76	-47.12
C[NH+](C)CC1=CC=C(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)N1	REAL300029003179	0	55	0.0	-70.61	412.55	4.50	-66.11
CC(C)(NC(=O)CN1C=CSC1=[NH2+])C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003212	0	47	0.0	-49.42	373.94	3.81	-45.61
C[N@H+](CCO)CCC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003220	0	54	0.0	-64.87	396.40	1.08	-63.79
C[N@@H+](CCO)CCC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003220	1	54	0.0	-66.05	396.76	1.00	-65.05
C[C@@H](C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029003221	0	50	0.0	-56.14	364.05	4.05	-52.09
C[N@@H+]1CCCC[C@@H]1C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003225	0	54	0.0	-60.09	379.45	4.42	-55.67
C[N@H+]1CCCC[C@@H]1C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003225	1	54	0.0	-57.33	388.67	4.58	-52.75
CC1CN2CC[N@@H+]1CC2C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003231	0	57	0.0	-75.04	399.10	1.90	-73.14
CC1CN2CC[N@H+]1CC2C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003231	1	57	0.0	-57.33	399.13	1.97	-55.36
CC(C)(NC(=O)CC1=CC2=C[NH+]=CN2C=C1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003270	0	52	0.0	-62.82	401.31	7.82	-55.00
C[N@H+](CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029003291	0	55	0.0	-58.14	406.26	5.89	-52.25
C[N@@H+](CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029003291	1	55	0.0	-59.77	406.21	5.87	-53.90
CC(C)(NC(=O)C[NH+]1CCC1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003292	1	48	0.0	-54.64	356.97	4.07	-50.57
C[N@@H+]1CCC(=CC(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029003317	0	52	0.0	-70.58	384.79	4.64	-65.94
C[N@H+]1CCC(=CC(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029003317	1	52	0.0	-65.39	384.81	5.23	-60.16
C[NH+](C)CCOCC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003344	0	54	0.0	-59.17	402.75	4.56	-54.61
CCCCC[N@H+](C)CCC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003350	0	62	0.0	-67.38	450.55	6.61	-60.77
CCCCC[N@@H+](C)CCC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003350	1	62	0.0	-67.08	450.54	6.61	-60.47
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029003358	0	58	0.0	-67.31	425.09	4.87	-62.44
C=CCC(C)(C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029003365	0	57	0.0	-61.74	401.25	4.92	-56.82
C[S+](C)CCC(O)C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003370	0	53	0.0	-51.02	408.10	3.15	-47.87
CN1CC[N@H+](C)CC(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029003399	0	59	0.0	-64.53	414.80	2.65	-61.88
CN1CC[N@@H+](C)CC(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029003399	1	59	0.0	-64.53	414.80	2.65	-61.88
CC(C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300029003400	0	58	0.0	-55.49	414.59	2.86	-52.63
C[N@@H+]1CCCC(O)(CC(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029003418	0	58	0.0	-53.09	417.17	3.85	-49.24
C[N@H+]1CCCC(O)(CC(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029003418	1	58	0.0	-53.09	417.17	3.85	-49.24
CC1CN(CC(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029003421	0	51	0.0	-55.24	376.95	4.81	-50.43
CC1C[NH+](CC(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029003421	1	51	0.0	-55.24	376.95	4.81	-50.43
CN(CCO)CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003446	0	51	0.0	-56.42	374.95	1.08	-55.34
C[N@H+](CCO)CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003446	1	51	0.0	-62.92	373.89	0.53	-62.39
C[N@@H+](CCO)CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003446	1	51	0.0	-62.92	373.89	0.53	-62.39
CC(C)(NC(=O)C1C[N@@H+]2CCN1CCC2)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003465	0	57	0.0	-76.70	394.09	2.39	-74.31
CC(C)(NC(=O)C1C[N@H+]2CCN1CCC2)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003465	1	57	0.0	-76.70	394.09	2.39	-74.31
CC[N@@H+]1CCCC(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029003469	0	57	0.0	-61.72	402.04	5.57	-56.15
CC[N@H+]1CCCC(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029003469	1	57	0.0	-61.72	402.04	5.57	-56.15
CC(CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029003471	0	56	0.0	-62.63	404.07	5.65	-56.98
CC[N@H+](C)CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003481	0	50	0.0	-54.32	364.60	4.32	-50.00
CC[N@H+](CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029003521	0	54	0.0	-52.03	392.88	5.63	-46.40
CC[NH+](CC)CCC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003535	0	56	0.0	-57.17	400.56	5.28	-51.89
CC(C)(NC(=O)CN1CC(C)(C)C1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003556	0	54	0.0	-62.91	396.34	4.66	-58.25
CC(C)(NC(=O)C[NH+]1CC(C)(C)C1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003556	1	54	0.0	-62.91	396.34	4.66	-58.25
CC(C)(NC(=O)C[N@@H+]1CCC(C)(O)C1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003577	0	55	0.0	-53.33	403.30	2.05	-51.28
C[NH+](C)CC=CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003583	0	51	0.0	-65.02	384.09	4.90	-60.12
CC(OCC[NH+](C)C)C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003599	0	57	0.0	-61.69	419.15	5.24	-56.45
C[NH+](C)CCOCCC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003607	0	57	0.0	-63.56	423.70	4.44	-59.12
COCCN(C)CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003608	0	54	0.0	-62.29	396.13	2.92	-59.37
COCC[N@H+](C)CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003608	1	54	0.0	-56.22	397.20	3.48	-52.74
COCC[N@@H+](C)CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003608	1	54	0.0	-56.22	397.20	3.48	-52.74
CC(CCC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029003638	0	56	0.0	-57.67	400.30	5.37	-52.30
CCN1CCC1C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003645	0	51	0.0	-59.09	371.27	3.70	-55.39
CC[N@@H+]1CCC1C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003645	1	51	0.0	-62.45	371.22	3.72	-58.73
CC[N@H+]1CCC1C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003645	1	51	0.0	-62.45	371.22	3.72	-58.73
CC(C)[N@@H+]1CCCC(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029003654	0	60	0.0	-61.71	418.53	6.03	-55.68
CC(C)[N@H+]1CCCC(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029003654	1	60	0.0	-61.71	418.53	6.03	-55.68
CC(C)(NC(=O)C[N@@H+]1CCCC1CO)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003666	0	55	0.0	-54.21	395.62	1.82	-52.39
CC(C)(NC(=O)C1CC2CCCC[N@@H+]2C1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003685	0	58	0.0	-60.82	413.41	5.71	-55.11
CC(C)(NC(=O)C1CC2CCCC[N@H+]2C1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003685	1	58	0.0	-60.82	413.41	5.71	-55.11
C=CCC(C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029003710	0	54	0.0	-51.49	393.53	5.32	-46.17
C[N@@H+]1CC(C)(C)CC1C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003716	0	57	0.0	-59.50	411.80	5.11	-54.39
C[NH+](C)CCCCCC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003720	0	59	0.0	-65.42	433.74	6.56	-58.86
CC1C[N@@H+]2CCN1C(C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300029003753	0	57	0.0	-66.92	399.93	2.65	-64.27
CCCC(C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029003754	0	56	0.0	-58.42	400.32	5.55	-52.87
C[N@@H+]1CCCCC1C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003788	0	54	0.0	-65.11	378.52	4.49	-60.62
C[N@H+]1CC=C(CC(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029003818	0	55	0.0	-66.26	405.82	5.27	-60.99
C[N@@H+]1CC=C(CC(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029003818	1	55	0.0	-66.26	405.82	5.27	-60.99
CC(C)(NC(=O)CC1([NH+]2CCCC2)CC1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003825	0	58	0.0	-62.05	411.29	5.81	-56.24
C[NH+](C)CC1=CC=C(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029003864	1	54	0.0	-63.22	410.34	5.36	-57.86
CC(C)(NC(=O)C=CC[NH+]1CCCC1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003878	0	55	0.0	-62.98	409.17	6.07	-56.91
CC(C)(NC(=O)C1CC[NH+](C2CC2)CC1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003896	0	58	0.0	-56.47	413.05	6.48	-49.99
CC(C)(NC(=O)CC[NH+]1CCCC1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003911	0	54	0.0	-57.52	395.21	5.38	-52.14
CC(C)(NC(=O)C1C[NH+]2CCN1CC2)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003941	0	54	0.0	-61.12	382.81	1.47	-59.65
CC(C)(NC(=O)C[N@@H+]1CC2CCC1C2)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003960	0	55	0.0	-61.50	392.41	5.12	-56.38
CC(C)(NC(=O)C[N@H+]1CC2CCC1C2)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003960	1	55	0.0	-54.39	390.02	5.65	-48.74
CC(C)(NC(=O)C=C1C[NH+]2CCC1CC2)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003997	0	56	0.0	-64.74	402.07	5.49	-59.25
CC(C)(NC(=O)C[N@@H+]1CC2C=CC1C2)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029004005	1	53	0.0	-52.49	386.51	5.63	-46.86
CC(C)(NC(=O)C[N@H+]1CC2C=CC1C2)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029004005	1	53	0.0	-54.86	385.15	5.64	-49.22
CC[NH+]1CCN(CC(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029004028	0	59	0.0	-68.28	422.17	3.18	-65.10
CC(C[NH+](C)C)C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029004041	0	53	0.0	-51.29	384.49	5.04	-46.25
C[N@@H+]1CCCCC1CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029004102	0	57	0.0	-64.83	405.93	5.20	-59.63
C[N@H+]1CCCCC1CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029004102	1	57	0.0	-49.21	397.80	5.80	-43.41
CC1=C2C=C(C(=O)NC(C)(C)C3CCCN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029004115	1	52	0.0	-68.90	398.28	7.17	-61.73
CC(C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300029004116	1	54	0.0	-62.19	395.14	4.77	-57.42
CC1CC[N@@H+]1CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029004119	1	51	0.0	-61.46	377.40	4.18	-57.28
CC1CC[N@H+]1CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029004119	1	51	0.0	-62.29	371.87	3.91	-58.38
C[NH+](C)CC(O)CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029004122	0	54	0.0	-63.31	399.54	2.54	-60.77
CC1C[N@H+](C)CC(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029004144	1	55	0.0	-58.92	395.21	4.24	-54.68
CC1C[N@@H+](C)CC(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029004144	1	55	0.0	-67.40	404.57	4.14	-63.26
CC(C)(NC(=O)CC[NH+]1CCC(O)CC1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029004153	0	58	0.0	-67.95	420.59	2.13	-65.82
CCC[N@@H+]1CCCCC1C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029004155	0	60	0.0	-52.44	417.65	6.58	-45.86
CCC[N@H+]1CCCCC1C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029004155	1	60	0.0	-55.40	414.08	6.51	-48.89
C[NH+](C)[C@H]1C[C@H](C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029004219	0	54	0.0	-64.23	396.62	5.37	-58.86
CC(CC[NH+](C)C)C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029004227	0	56	0.0	-61.76	406.92	5.52	-56.24
C[N@H+](CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029004243	0	58	0.0	-60.59	416.43	2.43	-58.16
C[N@@H+](CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029004243	1	58	0.0	-62.76	416.93	2.22	-60.54
C#CC[N@H+]1CCCCC1C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029004248	1	56	0.0	-49.45	413.02	6.55	-42.90
C#CC[N@@H+]1CCCCC1C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029004248	1	56	0.0	-63.21	413.80	5.74	-57.47
C[NH+]1CCN(CC(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029004251	1	56	0.0	-69.73	404.93	2.54	-67.19
CC[NH+]1CCN(CC(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029004260	0	59	0.0	-68.28	422.17	3.18	-65.10
CC(C)(NC(=O)CSC(N)=[NH2+])C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029004281	0	45	0.0	-57.37	354.80	0.60	-56.77
CCN1CCOCC1CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029004312	0	58	0.0	-69.65	409.27	3.40	-66.25
CC[N@@H+]1CCOCC1CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029004312	1	58	0.0	-59.68	415.01	4.13	-55.55
CC[N@H+]1CCOCC1CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029004312	1	58	0.0	-59.68	415.01	4.13	-55.55
C[NH+](C)C1CCC(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029004325	0	60	0.0	-62.62	422.25	6.46	-56.16
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029004327	0	60	0.0	-72.13	418.39	5.75	-66.38
C[N@@H+]1CC=CCC1CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029004328	0	55	0.0	-48.20	393.03	5.65	-42.55
C[N@H+]1CC=CCC1CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029004328	1	55	0.0	-48.20	393.03	5.65	-42.55
C[C@@H](OCC[NH+](C)C)C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029004348	0	57	0.0	-56.94	422.53	5.25	-51.69
C[NH+]1C2CCC1CC(C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300029004368	0	58	0.0	-60.28	381.34	5.82	-54.46
CC(C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300029004454	1	55	0.0	-65.15	402.12	4.85	-60.30
C[N@H+]1CCC[C@H]1C(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029004463	1	51	0.0	-58.30	366.86	4.19	-54.11
CC(C)(NC(=O)CC[N@H+]1CCC(F)C1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029004470	1	54	0.0	-61.45	401.12	5.46	-55.99
CC(C)(NC(=O)CC[NH+]1CCCCCC1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029004485	0	60	0.0	-59.18	420.90	6.27	-52.91
CC(C)(NC(=O)C[NH+]1CCCCC1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029004487	0	54	0.0	-62.61	387.67	4.94	-57.67
CC1C(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029004495	0	54	0.0	-63.16	392.45	4.51	-58.65
CC1C(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029004495	1	54	0.0	-68.83	389.00	4.45	-64.38
C[N@@H+]1CCCCC1CCC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029004497	0	60	0.0	-61.19	426.79	6.65	-54.54
C[N@H+]1CCCCC1CCC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029004497	1	60	0.0	-65.09	427.04	5.98	-59.11
CC(C)(NC(=O)C1CC[N@@H+]2CCOCC12)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029004521	0	56	0.0	-57.26	404.63	3.91	-53.35
CC(C)(NC(=O)C1CC[N@H+]2CCOCC12)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029004521	1	56	0.0	-65.24	401.94	3.31	-61.93
CC1=[NH+]C=C2C=CC(C(=O)NC(C)(C)C3CCCN3C(=O)C3=CC(=O)[N-]O3)=CN21	REAL300029004526	0	52	0.0	-63.79	397.52	6.36	-57.43
CN1CCOCC1CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029004540	0	55	0.0	-62.83	396.47	3.58	-59.25
C[N@@H+]1CCOCC1CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029004540	1	55	0.0	-65.98	389.23	2.75	-63.23
C[N@H+]1CCOCC1CC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029004540	1	55	0.0	-62.83	396.47	3.58	-59.25
CC1=C(C)[NH+]=C(CCC(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)N1	REAL300029004548	1	55	0.0	-60.63	416.19	4.37	-56.26
C[N@H+]1CCCC1C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029004715	1	51	0.0	-57.03	364.01	3.48	-53.55
CC1=[NH+]C=CN1CCCC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029004899	1	55	0.0	-62.76	420.76	6.64	-56.12
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CC[NH+]1CCOCC1	REAL300029004904	1	55	0.0	-71.01	405.06	3.74	-67.27
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300029004929	1	49	0.0	-69.44	374.25	6.08	-63.36
C[NH+](C)C1CCCC(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029004975	0	60	0.0	-64.72	416.97	5.63	-59.09
C[N@@H+]1CCC(CC(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029004978	0	54	0.0	-67.27	396.02	4.81	-62.46
C[N@H+]1CCC(CC(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029004978	1	54	0.0	-68.23	395.46	5.45	-62.78
CCC(C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029004993	0	53	0.0	-70.23	376.79	4.05	-66.18
C[NH+](C)CCCCC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029005049	0	56	0.0	-70.34	415.15	5.87	-64.47
CCC[N@H+](C)CCC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029005069	0	56	0.0	-65.59	410.56	5.19	-60.40
CCC[N@@H+](C)CCC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029005069	1	56	0.0	-68.86	411.38	5.70	-63.16
CCC[N@H+](C)CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029005073	0	53	0.0	-65.43	389.04	5.12	-60.31
CCC[N@@H+](C)CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029005073	1	53	0.0	-63.34	387.88	4.59	-58.75
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C12CC[N@H+](C1)CCC2	REAL300029005091	0	55	0.0	-81.21	379.66	3.93	-77.28
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300029005091	1	55	0.0	-71.01	382.24	4.66	-66.35
CCCCCC[N@H+](C)CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029005116	0	62	0.0	-66.59	453.53	7.46	-59.13
CCCCCC[N@@H+](C)CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029005116	1	62	0.0	-64.30	452.38	6.94	-57.36
CC1CC[NH+](CC(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029005149	0	57	0.0	-67.83	412.35	6.20	-61.63
C[NH+]1CCC(OCC(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029005170	0	58	0.0	-76.25	429.44	5.79	-70.46
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1CC2CCCC[N@@H+]2C1	REAL300029005205	0	58	0.0	-66.21	413.27	6.19	-60.02
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1CC2CCCC[N@H+]2C1	REAL300029005205	1	58	0.0	-62.59	413.17	6.27	-56.32
C[NH+](C)CC1(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029005215	0	54	0.0	-72.44	395.55	4.82	-67.62
CC(C)[NH+]1CCC(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029005225	0	60	0.0	-71.25	424.21	6.39	-64.86
CC[N@H+](C)CCC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029005244	0	53	0.0	-64.93	389.06	4.44	-60.49
CC[N@@H+](C)CCC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029005244	1	53	0.0	-68.04	389.88	4.93	-63.11
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1C[NH+]2CCC1CC2	REAL300029005272	0	55	0.0	-59.79	386.95	4.65	-55.14
C[NH+]1CCC(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029005336	0	54	0.0	-73.21	389.89	5.20	-68.01
CC[NH+](CC)CC(F)C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029005418	0	56	0.0	-67.43	405.48	5.25	-62.18
CC(C)C[N@@H+]1CCC(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029005442	0	60	0.0	-65.08	429.11	6.03	-59.05
CC(C)C[N@H+]1CCC(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029005442	1	60	0.0	-61.36	430.86	6.00	-55.36
CCC(C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300029005467	0	59	0.0	-65.23	408.56	5.21	-60.02
CC1CCC[N@@H+]1CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029005483	0	54	0.0	-64.40	395.00	5.56	-58.84
CC1CCC[N@H+]1CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029005483	1	54	0.0	-63.92	394.92	5.48	-58.44
CC(C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300029005531	0	60	0.0	-67.84	415.12	5.49	-62.35
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029005550	0	57	0.0	-68.17	387.16	4.37	-63.80
CC(C)[N@H+]1CCCC1C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029005550	1	57	0.0	-69.68	382.06	4.17	-65.51
CC(C)[N@@H+]1CCCC1CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029005555	0	60	0.0	-70.47	419.48	5.60	-64.87
CC(C)[N@H+]1CCCC1CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029005555	1	60	0.0	-70.61	427.23	5.91	-64.70
CC1CC[N@H+](CC(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029005582	0	54	0.0	-62.32	395.10	4.92	-57.40
CC1CC[N@@H+](CC(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029005582	1	54	0.0	-63.07	394.37	4.88	-58.19
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300029005585	0	57	0.0	-62.49	414.66	5.42	-57.07
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C[N@H+]1CCC(C)(C)C1	REAL300029005585	1	57	0.0	-62.82	414.22	5.41	-57.41
C[N@H+](CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029005586	0	59	0.0	-63.60	416.29	5.61	-57.99
C[N@@H+](CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029005586	1	59	0.0	-66.80	419.75	6.28	-60.52
CC[C@@H](C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029005593	0	53	0.0	-63.45	375.65	4.64	-58.81
CC1=[NH+]C=CN1CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029005768	1	49	0.0	-61.12	378.42	4.80	-56.32
CC(C[NH+]1CCOCC1)C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029005769	1	58	0.0	-68.41	416.98	4.17	-64.24
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CCC[NH+]1CCCCC1	REAL300029005782	0	60	0.0	-66.89	435.29	6.97	-59.92
C[NH+](C)CC1=CC(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)=NO1	REAL300029005792	1	53	0.0	-73.94	404.01	4.34	-69.60
CC1=C(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300029005793	0	52	0.0	-75.08	400.33	6.92	-68.16
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029005825	1	55	0.0	-59.95	412.11	6.32	-53.63
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300029005853	0	58	0.0	-64.81	412.06	5.91	-58.90
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1CCCC2CCC[N@H+]21	REAL300029005853	1	58	0.0	-69.76	398.20	5.45	-64.31
CC[N@@H+]1CCOC(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029005867	1	55	0.0	-81.78	399.83	3.96	-77.82
CC[N@H+]1CCOC(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029005867	1	55	0.0	-67.64	388.41	4.38	-63.26
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300029005905	0	49	0.0	-66.99	374.21	6.23	-60.76
CC1=C[NH+]=CN1CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029005910	1	49	0.0	-64.69	379.58	6.04	-58.65
C[C@@H]1[C@H](C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029005922	0	54	0.0	-71.41	385.86	4.97	-66.44
C[C@@H]1[C@H](C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029005922	1	54	0.0	-72.66	392.00	4.93	-67.73
CC[C@@H]1[C@@H](C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029005925	0	57	0.0	-63.03	403.39	4.68	-58.35
CC[C@@H]1[C@@H](C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029005925	1	57	0.0	-71.49	406.37	5.24	-66.25
CC1CCC(C)[NH+]1CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029005933	0	57	0.0	-68.41	399.78	4.89	-63.52
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CCC[NH+]1CCCC1	REAL300029005939	0	57	0.0	-66.29	418.88	6.21	-60.08
C#CC[NH+]1CCC(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029005944	0	56	0.0	-79.58	414.56	5.88	-73.70
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CC[NH+]1CCCCC1	REAL300029005945	0	57	0.0	-66.73	413.79	6.18	-60.55
C[NH+](C)C1(CC(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029005980	0	60	0.0	-65.55	411.50	5.56	-59.99
C[N@H+](CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029006095	0	54	0.0	-62.53	395.90	5.68	-56.85
C[N@@H+](CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029006095	1	54	0.0	-60.89	394.89	5.17	-55.72
CC(C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300029006112	0	60	0.0	-66.30	416.45	5.31	-60.99
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CCCC[NH+]1CCCC1	REAL300029006124	0	60	0.0	-68.92	439.50	6.94	-61.98
C[NH+]1CCC(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029006135	0	54	0.0	-73.21	389.89	5.20	-68.01
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029006166	0	51	0.0	-66.61	367.23	3.70	-62.91
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029006166	1	51	0.0	-61.84	371.39	4.57	-57.27
C[N@@H+]1CCCC1CCC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029006191	0	57	0.0	-65.29	410.36	5.19	-60.10
C[N@H+]1CCCC1CCC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029006191	1	57	0.0	-62.53	410.75	5.21	-57.32
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300029006200	0	58	0.0	-59.95	414.73	5.95	-54.00
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1CCC2CCCC[N@H+]21	REAL300029006200	1	58	0.0	-61.69	409.41	5.52	-56.17
CCC[N@@H+]1CCCC(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029006256	0	60	0.0	-71.58	428.70	6.05	-65.53
CCC[N@H+]1CCCC(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029006256	1	60	0.0	-67.28	429.50	6.45	-60.83
CC(C)[N@@H+]1CCOC(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029006267	1	58	0.0	-80.06	416.59	5.05	-75.01
CC(C)[N@H+]1CCOC(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029006267	1	58	0.0	-72.35	408.98	4.25	-68.10
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C[NH+]1CCC(CO)CC1	REAL300029006316	0	58	0.0	-73.26	423.20	2.88	-70.38
CC1C(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029006356	0	54	0.0	-62.48	385.67	4.10	-58.38
CC1C(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029006356	1	54	0.0	-70.16	391.00	5.22	-64.94
C[N@@H+]1CCCCC1CCC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029006358	0	60	0.0	-73.26	422.87	6.66	-66.60
C[N@H+]1CCCCC1CCC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029006358	1	60	0.0	-63.39	422.83	5.90	-57.49
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC2=C(CCC2)[NH+]=C1N	REAL300029006384	1	54	0.0	-64.09	401.21	3.90	-60.19
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029006428	0	57	0.0	-68.90	388.45	4.21	-64.69
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029006428	1	57	0.0	-59.72	410.01	4.90	-54.82
C[C@@H](C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029006445	0	50	0.0	-69.82	363.04	3.48	-66.34
C=CCC(C)(C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029006462	0	57	0.0	-71.91	391.49	4.81	-67.10
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CC[NH+]1CCCC1	REAL300029006484	0	54	0.0	-67.81	398.11	5.46	-62.35
C[N@H+](CCO)CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029006493	1	51	0.0	-62.81	376.73	0.61	-62.20
C[N@@H+](CCO)CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029006493	1	51	0.0	-65.41	377.76	1.14	-64.27
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1C[N@@H+]2CCN1CCC2	REAL300029006526	0	57	0.0	-72.33	393.62	2.91	-69.42
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1C[N@H+]2CCN1CCC2	REAL300029006526	1	57	0.0	-77.09	391.57	2.49	-74.60
CC(C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300029006544	1	55	0.0	-72.38	400.20	4.72	-67.66
C[N@H+]1CC=C(CC(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029006572	0	55	0.0	-60.97	408.96	6.04	-54.93
C[N@@H+]1CC=C(CC(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029006572	1	55	0.0	-62.65	408.25	5.56	-57.09
C[S+](C)CCC(O)C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029006584	0	53	0.0	-78.33	409.34	2.60	-75.73
CN1CC[N@H+](C)CC(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029006609	0	59	0.0	-69.17	417.71	3.07	-66.10
CN1CC[N@@H+](C)CC(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029006609	1	59	0.0	-62.84	415.41	3.50	-59.34
CC(C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300029006610	0	58	0.0	-63.20	416.45	2.15	-61.05
CC(C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1)[N@H+]1CCCC(O)C1	REAL300029006610	1	58	0.0	-59.26	414.10	2.08	-57.18
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029006641	0	58	0.0	-62.77	409.43	3.06	-59.71
C[N@H+]1CCCC(O)(CC(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029006641	1	58	0.0	-64.59	406.76	3.32	-61.27
CC1C[NH+](CC(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029006645	1	51	0.0	-63.35	380.25	4.30	-59.05
CC[N@@H+]1CCCC(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029006650	0	57	0.0	-56.41	395.48	5.80	-50.61
CC[N@H+]1CCCC(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029006650	1	57	0.0	-66.52	407.99	5.73	-60.79
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CC1=CC=C[NH+]=C1N	REAL300029006656	0	50	0.0	-62.22	383.24	3.03	-59.19
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1CCC[N@@H+]1C1CC1	REAL300029006666	0	55	0.0	-59.07	404.74	5.48	-53.59
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1CCC[N@H+]1C1CC1	REAL300029006666	1	55	0.0	-57.69	399.77	5.18	-52.51
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C=CC[NH+]1CCCC1	REAL300029006704	0	55	0.0	-70.86	411.13	6.19	-64.67
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300029006723	0	58	0.0	-73.86	420.03	6.11	-67.75
CC[N@H+](C)CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029006755	0	50	0.0	-63.05	366.38	3.85	-59.20
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CN1CC2C=CC1C2	REAL300029006799	0	53	0.0	-60.50	388.89	5.59	-54.91
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C[N@@H+]1CC2C=CC1C2	REAL300029006799	1	53	0.0	-61.49	388.12	5.15	-56.34
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C[N@H+]1CC2C=CC1C2	REAL300029006799	1	53	0.0	-61.49	388.12	5.15	-56.34
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1C[NH+]2CCN1CC2	REAL300029006869	0	54	0.0	-61.95	381.21	1.27	-60.68
CC(OCC[NH+](C)C)C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029006916	0	57	0.0	-65.62	420.43	5.12	-60.50
C[NH+](C)CCOCCC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029006925	0	57	0.0	-63.50	425.85	4.02	-59.48
COCC[N@H+](C)CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029006927	1	54	0.0	-64.73	400.01	3.55	-61.18
COCC[N@@H+](C)CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029006927	1	54	0.0	-62.93	398.99	3.01	-59.92
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1C[NH+](C2CCOC2)C1	REAL300029006928	0	56	0.0	-70.82	412.68	3.85	-66.97
CC(CCC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029006932	0	56	0.0	-64.19	401.90	5.00	-59.19
C[NH+]1CCC(=CC(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029006947	0	55	0.0	-61.73	402.22	6.05	-55.68
CC[N@H+](CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029006954	0	54	0.0	-62.58	398.38	5.74	-56.84
CC[N@@H+](CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029006954	1	54	0.0	-63.13	393.88	5.54	-57.59
CC1C[N@@H+]2CCN1C(C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029006964	0	57	0.0	-77.02	397.14	2.37	-74.65
CC1C[N@H+]2CCN1C(C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029006964	1	57	0.0	-65.19	389.30	4.02	-61.17
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029006990	1	54	0.0	-69.03	413.78	4.45	-64.58
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C[N@@H+]1CC2CCC1C2	REAL300029006996	0	55	0.0	-64.25	396.23	5.81	-58.44
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C[N@H+]1CC2CCC1C2	REAL300029006996	1	55	0.0	-65.95	396.21	5.80	-60.15
CC(C[NH+](C)C)C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029007013	0	53	0.0	-73.41	385.40	4.34	-69.07
C[C@H](C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029007046	0	50	0.0	-64.41	365.80	3.56	-60.85
CC[N@@H+]1CCC1C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029007053	1	51	0.0	-62.74	370.84	3.61	-59.13
CC[N@H+]1CCC1C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029007053	1	51	0.0	-66.53	380.03	4.67	-61.86
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029007063	0	60	0.0	-63.89	417.62	6.02	-57.87
CC(C)[N@H+]1CCCC(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029007063	1	60	0.0	-55.26	417.08	5.87	-49.39
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029007074	0	59	0.0	-65.52	414.06	4.33	-61.19
C#CC[N@H+]1CCCCC1C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029007112	1	56	0.0	-67.65	398.07	5.90	-61.75
C#CC[N@@H+]1CCCCC1C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029007112	1	56	0.0	-67.67	410.69	5.75	-61.92
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029007113	1	53	0.0	-65.79	397.89	3.78	-62.01
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=C[NH+]=CC=C1N	REAL300029007114	0	47	0.0	-73.03	356.47	1.17	-71.86
CCCC(C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029007123	0	56	0.0	-60.92	398.36	5.37	-55.55
CC(CC[NH+](C)C)C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029007144	0	56	0.0	-72.70	407.06	4.98	-67.72
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029007234	0	57	0.0	-66.91	407.00	4.83	-62.08
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029007234	1	57	0.0	-69.66	409.02	5.28	-64.38
C[NH+](C)CCCCCC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029007239	0	59	0.0	-69.94	436.65	6.65	-63.29
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CC[NH+]1CCC(O)CC1	REAL300029007243	0	58	0.0	-70.41	424.42	2.79	-67.62
CCC[N@@H+]1CCCCC1C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029007246	0	60	0.0	-70.31	416.07	5.73	-64.58
CCC[N@H+]1CCCCC1C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029007246	1	60	0.0	-66.53	412.06	6.11	-60.42
C[NH+]1CCN(CC(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029007254	1	56	0.0	-65.74	408.39	3.31	-62.43
CC1C[N@H+](C)CC(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)O1	REAL300029007338	1	55	0.0	-85.18	396.15	3.59	-81.59
CC1C[N@@H+](C)CC(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)O1	REAL300029007338	1	55	0.0	-84.67	402.81	4.04	-80.63
CCC1CCC[N@H+](CC(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029007368	0	60	0.0	-64.46	423.29	6.36	-58.10
CCC1CCC[N@@H+](CC(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029007368	1	60	0.0	-63.52	429.15	6.22	-57.30
C[NH+](C)CC1=CC=C(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)N1	REAL300029007376	0	55	0.0	-83.29	410.92	4.52	-78.77
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C[NH+]1CC2CC2C1	REAL300029007390	0	52	0.0	-68.03	385.46	5.58	-62.45
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CC1([NH+]2CCCC2)CC1	REAL300029007403	0	58	0.0	-60.31	412.62	5.79	-54.52
C[N@@H+]1CCCCC1C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029007434	0	54	0.0	-56.08	385.38	4.46	-51.62
C[N@H+]1CCCCC1C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029007434	1	54	0.0	-66.07	373.69	4.58	-61.49
C[N@@H+]1CCC(=CC(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029007526	0	52	0.0	-67.63	385.94	4.75	-62.88
C[N@H+]1CCC(=CC(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029007526	1	52	0.0	-68.60	386.68	5.36	-63.24
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CNC1=CC=[NH+]C=C1	REAL300029007531	0	50	0.0	-69.10	385.50	2.99	-66.11
CC[NH+]1CCN(CC(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029007577	0	59	0.0	-61.83	425.02	3.32	-58.51
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C=C1C[NH+]2CCC1CC2	REAL300029007578	0	56	0.0	-55.43	405.33	6.18	-49.25
C[N@H+](CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029007615	0	58	0.0	-61.03	420.30	3.02	-58.01
C[N@@H+](CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029007615	1	58	0.0	-62.62	420.08	3.19	-59.43
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029007631	0	51	0.0	-63.14	370.81	4.61	-58.53
C[N@H+]1CCC[C@H]1C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029007631	1	51	0.0	-69.19	368.63	4.23	-64.96
CCN1CCOCC1CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029007656	0	58	0.0	-72.90	412.19	3.59	-69.31
CC[N@@H+]1CCOCC1CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029007656	1	58	0.0	-76.25	416.80	4.32	-71.93
CC[N@H+]1CCOCC1CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029007656	1	58	0.0	-76.25	416.80	4.32	-71.93
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC=C2NC(N)=NC2=C1	REAL300029007723	0	51	0.0	-65.55	388.48	4.00	-61.55
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC=C2NC(N)=[NH+]C2=C1	REAL300029007723	1	51	0.0	-65.55	388.48	4.00	-61.55
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029007752	0	54	0.0	-70.51	398.44	5.40	-65.11
C[NH+](C)C1CCC(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029007765	0	60	0.0	-67.00	417.02	5.72	-61.28
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029007767	0	60	0.0	-67.85	416.68	5.67	-62.18
C[N@@H+]1CC=CCC1CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029007768	0	55	0.0	-61.55	394.99	5.17	-56.38
C[N@H+]1CC=CCC1CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029007768	1	55	0.0	-61.55	394.99	5.17	-56.38
CC1=CC(C=CC(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)=CN=C1N	REAL300029007813	0	54	0.0	-74.68	413.99	4.74	-69.94
CC1=CC(C=CC(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)=C[NH+]=C1N	REAL300029007813	1	54	0.0	-74.68	413.99	4.74	-69.94
C[NH+](C)CCOCC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029007824	0	54	0.0	-61.09	405.29	4.75	-56.34
CCCCC[N@H+](C)CCC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029007830	0	62	0.0	-66.67	453.56	6.77	-59.90
CCCCC[N@@H+](C)CCC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029007830	1	62	0.0	-66.67	453.56	6.77	-59.90
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)O1	REAL300029007840	0	58	0.0	-66.80	423.74	5.48	-61.32
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CN1C=CSC1=[NH2+]	REAL300029007857	0	47	0.0	-58.64	376.89	3.89	-54.75
C[C@@H](OCC[NH+](C)C)C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029007915	0	57	0.0	-66.55	419.99	4.57	-61.98
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CC[NH+]1CCCCCC1	REAL300029007945	0	60	0.0	-71.54	423.44	6.51	-65.03
C[N@@H+]1CCCC(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029007951	0	54	0.0	-68.49	390.34	5.04	-63.45
C[N@H+]1CCCC(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029007951	1	54	0.0	-68.49	390.34	5.04	-63.45
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C[NH+]1CCCCCC1	REAL300029007953	0	57	0.0	-68.79	402.35	6.24	-62.55
CN1C=C[N+](CC(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029007958	0	49	0.0	-59.50	381.01	7.22	-52.28
CN(C)CC1=CC=C(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)O1	REAL300029007971	0	54	0.0	-74.59	409.38	4.95	-69.64
C[NH+](C)CC1=CC=C(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)O1	REAL300029007971	1	54	0.0	-74.59	409.38	4.95	-69.64
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CN1CCC(O)CC1	REAL300029007984	0	55	0.0	-71.78	402.59	2.23	-69.55
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C[NH+]1CCC(O)CC1	REAL300029007984	1	55	0.0	-71.78	402.59	2.23	-69.55
C[N@H+](CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029007989	0	51	0.0	-62.55	379.06	5.12	-57.43
CC(C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1)N1CCN(C)CC1	REAL300029007991	0	59	0.0	-71.28	422.88	3.07	-68.21
CC(C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300029007991	1	59	0.0	-71.28	422.88	3.07	-68.21
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CC[N@@H+]1CCC(F)C1	REAL300029007993	0	54	0.0	-70.95	404.02	5.53	-65.42
CC(CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029008017	0	56	0.0	-68.85	406.98	5.73	-63.12
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1CC[N@@H+]2CCOCC12	REAL300029008032	0	56	0.0	-76.56	404.61	3.82	-72.74
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1CC[N@H+]2CCOCC12	REAL300029008032	1	56	0.0	-76.56	404.61	3.82	-72.74
CN1CCOCC1CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029008051	0	55	0.0	-78.81	398.29	3.00	-75.81
C[N@@H+]1CCOCC1CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029008051	1	55	0.0	-54.65	392.45	3.50	-51.15
C[N@H+]1CCOCC1CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029008051	1	55	0.0	-54.65	392.45	3.50	-51.15
CC1=CC(N)=NC=C1C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029008097	0	50	0.0	-73.42	377.01	2.38	-71.04
CC1=CC(N)=[NH+]C=C1C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029008097	1	50	0.0	-73.42	377.01	2.38	-71.04
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300029008132	0	55	0.0	-61.77	405.05	1.60	-60.17
C[NH+]1CC(CC(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029008164	0	51	0.0	-67.75	381.22	4.56	-63.19
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1CC[N@@H+]1C1CCCC1	REAL300029008169	0	58	0.0	-68.31	420.04	6.45	-61.86
C[N@H+](CCO)CCC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029008203	0	54	0.0	-67.01	399.96	1.76	-65.25
C[N@@H+](CCO)CCC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029008203	1	54	0.0	-67.01	399.96	1.76	-65.25
C[N@@H+]1CCCCC1CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029008220	0	57	0.0	-61.45	400.57	5.23	-56.22
C[N@H+]1CCCCC1CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029008220	1	57	0.0	-61.45	400.57	5.23	-56.22
CC1=C2C=C(C(=O)N3CCCC3C(C)(C)NC(=O)C3=CC(=O)[N-]O3)C=CN2C=N1	REAL300029008237	0	52	0.0	-68.23	396.35	6.80	-61.43
CC1=C2C=C(C(=O)N3CCCC3C(C)(C)NC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029008237	1	52	0.0	-68.23	396.35	6.80	-61.43
CC1CCN1CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029008241	0	51	0.0	-63.44	375.60	4.53	-58.91
CC1CC[N@@H+]1CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029008241	1	51	0.0	-65.00	381.11	4.82	-60.18
CC1CC[N@H+]1CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029008241	1	51	0.0	-65.00	381.11	4.82	-60.18
C[NH+](C)CC=CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029008251	0	51	0.0	-72.34	384.78	4.98	-67.36
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CN1CC(C)(C)C1	REAL300029008263	0	54	0.0	-63.64	399.38	4.78	-58.86
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C[NH+]1CC(C)(C)C1	REAL300029008263	1	54	0.0	-63.64	399.38	4.78	-58.86
CC1=C(C)NC(CCC(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)=N1	REAL300029008280	0	55	0.0	-62.56	420.00	5.02	-57.54
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)N1	REAL300029008280	1	55	0.0	-62.56	420.00	5.02	-57.54
CC1=C2C=C(C(=O)N3CCCC3C(C)(C)NC(=O)C3=CC(=O)[N-]O3)C=CN2C=N1	REAL300029008290	0	52	0.0	-68.23	396.35	6.80	-61.43
CC1=C2C=C(C(=O)N3CCCC3C(C)(C)NC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029008290	1	52	0.0	-68.23	396.35	6.80	-61.43
C[NH+](C)CCSCC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029008298	0	54	0.0	-75.58	416.42	5.74	-69.84
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C[N@@H+]1CCCC1CO	REAL300029008321	0	55	0.0	-61.83	403.93	1.73	-60.10
CC[NH+](CC)CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029008325	0	53	0.0	-61.14	380.60	4.29	-56.85
C[N@H+](CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029008335	0	55	0.0	-67.33	407.99	5.41	-61.92
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CN1CCC1	REAL300029008337	0	48	0.0	-65.93	360.07	4.17	-61.76
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C[NH+]1CCC1	REAL300029008337	1	48	0.0	-65.93	360.07	4.17	-61.76
CC[NH+](CC)CCC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029008373	0	56	0.0	-64.91	402.70	4.90	-60.01
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1CC2COCC[N@@H+]2C1	REAL300029008442	0	56	0.0	-63.66	404.26	3.88	-59.78
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1CC2COCC[N@H+]2C1	REAL300029008442	1	56	0.0	-63.66	404.26	3.88	-59.78
CC(C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1)N1CCC1	REAL300029008454	0	51	0.0	-69.25	373.69	4.02	-65.23
CC(C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300029008454	1	51	0.0	-69.25	373.69	4.02	-65.23
CCC(CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029008460	0	59	0.0	-79.07	424.32	6.37	-72.70
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029008512	0	54	0.0	-67.83	386.79	4.64	-63.19
CC1CN2CC[N@@H+]1CC2C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029008524	0	57	0.0	-61.54	394.48	1.76	-59.78
C[NH+](C)CC(O)CC(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1	REAL300029008544	0	54	0.0	-71.11	402.36	2.65	-68.46
C[NH+]1C2CCC1CC(C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029008547	0	58	0.0	-72.92	383.75	4.91	-68.01
C=CCC(C(=O)N1CCCC1C(C)(C)NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029008579	0	54	0.0	-59.79	390.27	5.09	-54.70
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1CC2CCCC[N@@H+]2C1	REAL300029008586	0	58	0.0	-62.59	413.17	6.27	-56.32
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1CC2CCCC[N@H+]2C1	REAL300029008586	1	58	0.0	-62.59	413.17	6.27	-56.32
C[NH+]1CCC(O)(CC(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029008595	0	58	0.0	-58.72	417.46	4.00	-54.72
CC1=C2C=C(C(=O)NC(C)(C)C3CCCN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=N1	REAL300029008662	0	52	0.0	-68.90	398.28	7.17	-61.73
CC1=C2C=C(C(=O)NC(C)(C)C3CCCN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029008662	1	52	0.0	-68.90	398.28	7.17	-61.73
C[NH+](C)CCSCC(=O)NC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029008670	0	54	0.0	-66.30	413.77	5.58	-60.72
CC(C)(NC(=O)C1CC2COCC[N@@H+]2C1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029008677	0	56	0.0	-62.14	404.36	3.43	-58.71
CC(C)(NC(=O)C1CC2COCC[N@H+]2C1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029008677	1	56	0.0	-62.14	404.36	3.43	-58.71
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC[N@@H+]1C	REAL300029008832	0	48	0.0	-73.39	367.18	4.13	-69.26
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1C[N@H+](C)CCO1	REAL300029008856	1	49	0.0	-91.61	373.12	3.54	-88.07
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1C[N@@H+](C)CCO1	REAL300029008856	1	49	0.0	-69.40	365.48	3.35	-66.05
CC(C)C1=[NH+]C=CN1CCC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029009040	1	55	0.0	-66.18	424.65	6.54	-59.64
CC(C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300029009047	0	57	0.0	-66.02	404.46	5.68	-60.34
CC(C)[N@@H+]1CCCCC1C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029009049	0	57	0.0	-65.16	410.41	5.81	-59.35
CC(C)[N@H+]1CCCCC1C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029009049	1	57	0.0	-63.56	410.74	5.80	-57.76
CC(C)[N@@H+]1CCCC1C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029009083	0	54	0.0	-71.11	397.43	5.22	-65.89
CC(C)[N@H+]1CCCC1C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029009083	1	54	0.0	-72.02	399.58	5.33	-66.69
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC2CCCC[N@@H+]2C1	REAL300029009109	0	55	0.0	-70.12	403.87	5.88	-64.24
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC2CCCC[N@H+]2C1	REAL300029009109	1	55	0.0	-55.69	395.43	6.47	-49.22
CC(C)C1=[NH+]C=CN1CC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029009142	1	52	0.0	-65.97	406.16	6.08	-59.89
CC1=[NH+]C=CN1CC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029009196	1	46	0.0	-68.35	368.67	4.97	-63.38
CC(C[NH+]1CCOCC1)C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029009198	0	55	0.0	-73.32	407.86	3.89	-69.43
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCC[NH+]1CCCCC1	REAL300029009220	0	57	0.0	-72.85	425.44	6.59	-66.26
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)[NH+]1CCCCC1	REAL300029009247	0	57	0.0	-66.84	398.16	5.53	-61.31
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1C[NH+]2CCC1CC2	REAL300029009266	0	52	0.0	-64.14	367.27	5.39	-58.75
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCC2CCC[N@@H+]21	REAL300029009324	0	55	0.0	-45.46	376.06	5.85	-39.61
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCC2CCC[N@H+]21	REAL300029009324	1	55	0.0	-67.09	396.13	5.78	-61.31
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300029009326	0	54	0.0	-78.63	418.23	4.51	-74.12
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300029009341	0	54	0.0	-81.85	422.03	5.18	-76.67
C[C@@H]1[C@H](C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029009348	0	51	0.0	-71.74	376.14	4.71	-67.03
C[C@@H]1[C@H](C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029009348	1	51	0.0	-74.80	373.93	4.39	-70.41
CCC1=[NH+]C=CN1C(C)CC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029009351	1	55	0.0	-66.40	425.21	6.61	-59.79
CC[C@@H]1[C@@H](C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029009354	0	54	0.0	-72.34	393.04	4.90	-67.44
CC[C@@H]1[C@@H](C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029009354	1	54	0.0	-72.25	397.59	5.24	-67.01
CC[N@@H+]1CCOC(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029009380	1	52	0.0	-74.94	380.09	4.08	-70.86
CC[N@H+]1CCOC(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029009380	1	52	0.0	-89.30	391.04	4.19	-85.11
CC[NH+](CC)CC(F)C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029009440	0	53	0.0	-69.86	401.50	5.34	-64.52
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=C(C[NH+](C)C)C=CS1	REAL300029009441	0	51	0.0	-68.23	411.66	5.76	-62.47
CC1CCC(C)[NH+]1CC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029009546	0	54	0.0	-66.81	391.65	5.05	-61.76
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCC[NH+]1CCCC1	REAL300029009553	0	54	0.0	-72.64	409.07	5.94	-66.70
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(C[NH+](C)C)=CC=C1	REAL300029009554	0	54	0.0	-82.31	415.02	6.40	-75.91
C#CC[NH+]1CCC(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029009561	0	53	0.0	-76.38	404.40	5.96	-70.42
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[NH+]1CCCCC1	REAL300029009562	0	54	0.0	-72.83	403.94	5.79	-67.04
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CC=C1C[NH+](C)C	REAL300029009566	0	54	0.0	-65.65	410.28	6.70	-58.95
CC[N@@H+]1CCCCC1C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029009575	0	54	0.0	-42.93	375.81	5.66	-37.27
CC[N@H+]1CCCCC1C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029009575	1	54	0.0	-64.75	397.31	5.50	-59.25
CC(C)C(C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300029009576	0	60	0.0	-68.57	424.15	7.00	-61.57
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(C1=CC=CC=C1)[NH+](C)C	REAL300029009579	1	54	0.0	-70.10	406.85	6.56	-63.54
CC(C)C[N@@H+]1CCC(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029009605	0	57	0.0	-77.79	421.32	6.08	-71.71
CC(C)C[N@H+]1CCC(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029009605	1	57	0.0	-76.37	422.04	6.11	-70.26
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1([NH+](C)C)CCC1	REAL300029009609	0	51	0.0	-68.68	367.84	4.46	-64.22
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(CN1C=CC=N1)[NH+](C)C	REAL300029009611	1	54	0.0	-75.37	406.57	5.33	-70.04
CC(C)[N@@H+]1CCCC1CC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029009616	0	57	0.0	-70.28	409.15	5.54	-64.74
CC(C)[N@H+]1CCCC1CC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029009616	1	57	0.0	-53.97	402.07	6.95	-47.02
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC[N@@H+]1C1CCCC1	REAL300029009617	0	58	0.0	-51.64	406.64	7.22	-44.42
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC[N@H+]1C1CCCC1	REAL300029009617	1	58	0.0	-50.48	400.86	6.93	-43.55
CC(C)[C@@H](C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029009638	0	53	0.0	-70.96	385.04	5.04	-65.92
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)C1CCC1	REAL300029009700	0	51	0.0	-69.40	385.37	5.34	-64.06
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)C1CCC1	REAL300029009700	1	51	0.0	-72.89	386.29	5.19	-67.70
CC(C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300029009786	0	57	0.0	-65.35	405.65	5.53	-59.82
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCN(C)C1=CC=[NH+]C=C1	REAL300029009865	0	53	0.0	-70.26	415.13	5.06	-65.20
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029009877	1	50	0.0	-68.56	379.78	4.92	-63.64
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029009877	1	50	0.0	-67.30	390.34	5.55	-61.75
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCC1CCC[N@@H+]1C	REAL300029009887	0	54	0.0	-59.55	390.21	5.95	-53.60
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCC1CCC[N@H+]1C	REAL300029009887	1	54	0.0	-82.12	408.44	5.80	-76.32
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CCC[NH+](CCC1)C2	REAL300029009900	0	55	0.0	-72.16	386.55	5.05	-67.11
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC2CCCC[N@@H+]21	REAL300029009908	0	55	0.0	-66.59	403.20	6.17	-60.42
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC2CCCC[N@H+]21	REAL300029009908	1	55	0.0	-72.85	401.56	5.75	-67.10
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)C[NH+]1CCOCC1	REAL300029009916	0	58	0.0	-52.75	378.04	4.45	-48.30
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCCC[NH+]1CCCC1	REAL300029009936	0	57	0.0	-72.68	430.57	6.72	-65.96
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300029009939	1	54	0.0	-75.94	415.96	6.95	-68.99
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300029009939	1	54	0.0	-75.87	417.06	6.94	-68.93
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[NH+](C)CC1	REAL300029009956	0	51	0.0	-60.35	372.33	5.41	-54.94
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300029010016	1	50	0.0	-84.32	396.71	4.60	-79.72
CC1=C(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300029010018	0	49	0.0	-71.84	391.55	7.10	-64.74
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCC[N@@H+]1C	REAL300029010061	0	51	0.0	-65.88	379.33	4.87	-61.01
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCC[N@H+]1C	REAL300029010061	1	51	0.0	-77.49	373.99	4.53	-72.96
CC(C)C[N@@H+]1CCCC1C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029010092	0	57	0.0	-72.34	421.90	6.29	-66.05
CC(C)C[N@H+]1CCCC1C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029010092	1	57	0.0	-69.21	409.24	5.54	-63.67
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300029010249	0	46	0.0	-72.80	374.77	6.73	-66.07
CC1=[NH+]C=CN1CCCC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029010262	1	52	0.0	-69.72	410.21	6.31	-63.41
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCCC[NH+]1CCOCC1	REAL300029010266	1	58	0.0	-76.19	438.65	4.98	-71.21
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300029010272	0	54	0.0	-78.73	414.17	6.47	-72.26
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[NH+]1CCOCC1	REAL300029010273	1	52	0.0	-76.05	394.51	3.42	-72.63
CCC[NH+](CCC)CCCC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029010298	0	62	0.0	-72.85	462.51	7.60	-65.25
CC1=C[NH+]=CN1CC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029010318	1	46	0.0	-71.21	370.17	5.68	-65.53
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CN1C=[NH+]C2=C1CCCC2	REAL300029010329	1	53	0.0	-68.45	410.84	7.43	-61.02
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1(C[NH+](C)C)CCCCC1	REAL300029010373	0	60	0.0	-63.62	399.69	7.00	-56.62
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[N@H+](C)C1CCCCC1	REAL300029010379	0	60	0.0	-74.39	437.67	7.00	-67.39
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[N@@H+](C)C1CCCCC1	REAL300029010379	1	60	0.0	-80.09	438.47	6.85	-73.24
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CCC[NH+]1CCC2	REAL300029010384	0	52	0.0	-66.50	376.96	4.75	-61.75
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCC([NH+](C)C)C1	REAL300029010423	0	57	0.0	-67.10	408.56	5.78	-61.32
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC[N@H+](C)C1	REAL300029010428	0	51	0.0	-81.45	386.52	4.85	-76.60
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC[N@@H+](C)C1	REAL300029010428	1	51	0.0	-81.76	386.78	4.88	-76.88
CN(C)C1=CC=[NH+]C=C1C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029010442	0	50	0.0	-77.09	391.38	3.14	-73.95
CCC(C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029010448	0	50	0.0	-67.99	368.66	4.37	-63.62
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1([NH+](C)C)CCCC1	REAL300029010468	0	57	0.0	-74.79	403.10	5.82	-68.97
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300029010533	1	46	0.0	-84.76	375.73	6.63	-78.13
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300029010576	1	49	0.0	-80.21	396.36	5.06	-75.15
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCCC[NH+](C)C	REAL300029010610	0	53	0.0	-74.01	404.61	5.55	-68.46
CC(C)C(C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029010632	0	53	0.0	-58.01	371.01	5.38	-52.63
CCC[N@H+](C)CCC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029010634	0	53	0.0	-79.73	401.67	5.20	-74.53
CCC[N@@H+](C)CCC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029010634	1	53	0.0	-74.20	400.85	5.37	-68.83
CCC[N@H+](C)CC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029010640	0	50	0.0	-71.77	378.47	4.76	-67.01
CCC[N@@H+](C)CC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029010640	1	50	0.0	-71.59	378.47	4.76	-66.83
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CC[N@H+](C1)CCC2	REAL300029010670	0	52	0.0	-73.07	371.19	4.22	-68.85
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CC[N@@H+](C1)CCC2	REAL300029010670	1	52	0.0	-73.87	371.62	4.19	-69.68
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300029010734	0	48	0.0	-67.95	364.00	4.28	-63.67
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CCC[N@H+]1C	REAL300029010734	1	48	0.0	-76.37	358.82	3.83	-72.54
CC1CC2CCC(C(=O)N(C)CC3CCCN3C(=O)C3=CC(=O)[N-]O3)C[N@@H+]2C1	REAL300029010761	0	58	0.0	-50.41	414.66	7.02	-43.39
CC1CC2CCC(C(=O)N(C)CC3CCCN3C(=O)C3=CC(=O)[N-]O3)C[N@H+]2C1	REAL300029010761	1	58	0.0	-68.99	423.37	6.46	-62.53
CCCCCC[N@H+](C)CC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029010812	0	59	0.0	-73.07	442.97	7.10	-65.97
CCCCCC[N@@H+](C)CC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029010812	1	59	0.0	-72.84	442.96	7.10	-65.74
CC[NH+](CC)C(C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300029010821	0	59	0.0	-54.65	402.25	6.44	-48.21
CC[NH+](CC)CC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029010831	0	50	0.0	-70.30	374.39	4.69	-65.61
CCC[N@@H+]1CCCC(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029010865	0	57	0.0	-71.55	419.57	6.13	-65.42
CCC[N@H+]1CCCC(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029010865	1	57	0.0	-71.72	419.03	6.10	-65.62
CC(C)[N@@H+]1CCOC(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029010888	0	55	0.0	-75.13	386.46	5.45	-69.68
CC(C)[N@H+]1CCOC(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029010888	1	55	0.0	-74.64	407.76	4.72	-69.92
CC1CC[NH+](CC(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029010928	0	54	0.0	-72.01	401.73	5.81	-66.20
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300029010959	1	49	0.0	-77.23	393.21	4.45	-72.78
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)COC1CC[NH+](C)CC1	REAL300029010968	0	55	0.0	-77.24	419.19	5.43	-71.81
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1(C[NH+](C)C)CC1	REAL300029010985	0	51	0.0	-71.36	368.30	6.09	-65.27
CC1=[NH+]C=C2CCC(C(=O)N(C)CC3CCCN3C(=O)C3=CC(=O)[N-]O3)CN21	REAL300029010986	1	53	0.0	-51.57	394.05	6.43	-45.14
CC(C)[NH+]1CCC(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029011087	0	57	0.0	-80.89	411.52	5.70	-75.19
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[NH+](C)CC1	REAL300029011117	0	51	0.0	-60.35	372.33	5.41	-54.94
CC(C)[C@H](C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029011140	0	53	0.0	-49.53	370.81	5.56	-43.97
CCC(C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300029011177	0	56	0.0	-65.16	400.76	5.51	-59.65
CC[N@H+](C)CCC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029011272	0	50	0.0	-73.43	379.35	4.61	-68.82
CC[N@@H+](C)CCC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029011272	1	50	0.0	-73.49	379.33	4.61	-68.88
CC1CCC[N@@H+]1CC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029011348	0	51	0.0	-72.15	386.12	4.88	-67.27
CC1CCC[N@H+]1CC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029011348	1	51	0.0	-67.75	378.74	4.70	-63.05
CC1CC[N@H+](CC(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029011350	0	51	0.0	-70.45	386.33	4.97	-65.48
CC1CC[N@@H+](CC(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029011350	1	51	0.0	-70.97	385.90	5.07	-65.90
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1(F)CC[N@@H+](C(C)(C)C)C1	REAL300029011351	0	57	0.0	-64.43	417.09	5.47	-58.96
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1(F)CC[N@H+](C(C)(C)C)C1	REAL300029011351	1	57	0.0	-58.87	405.85	6.04	-52.83
CC1=[NH+]C=C2CC(C(=O)N(C)CC3CCCN3C(=O)C3=CC(=O)[N-]O3)CCN21	REAL300029011353	1	53	0.0	-69.45	404.20	5.90	-63.55
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300029011356	0	54	0.0	-70.98	405.65	5.57	-65.41
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+]1CCC(C)(C)C1	REAL300029011356	1	54	0.0	-74.48	407.72	5.57	-68.91
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)CC(C)(C)C	REAL300029011357	0	56	0.0	-71.20	409.21	5.96	-65.24
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)CC(C)(C)C	REAL300029011357	1	56	0.0	-71.69	406.49	5.72	-65.97
CC[C@@H](C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029011368	0	50	0.0	-70.57	367.44	4.15	-66.42
CC(COCC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCC1	REAL300029011376	0	58	0.0	-70.20	437.82	6.09	-64.11
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[NH+](CC2CC2)CC1	REAL300029011464	0	58	0.0	-75.92	428.89	7.01	-68.91
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1(O)CC[NH+](C)CC1	REAL300029011614	0	55	0.0	-73.12	410.27	3.60	-69.52
COCC[N@@H+]1CCCC1CC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029011621	0	58	0.0	-48.93	419.22	5.20	-43.73
COCC[N@H+]1CCCC1CC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029011621	1	58	0.0	-70.67	438.43	4.82	-65.85
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+](C)C	REAL300029011629	0	44	0.0	-72.30	340.40	3.35	-68.95
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCC(CO)CC1	REAL300029011634	0	55	0.0	-72.76	412.94	2.50	-70.26
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCCCCC1	REAL300029011638	0	54	0.0	-70.55	391.47	5.42	-65.13
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N+]1=CN(C)C=C1	REAL300029011643	0	46	0.0	-69.41	370.47	6.86	-62.55
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC[N@H+](C)C1	REAL300029011654	0	51	0.0	-72.13	381.01	4.80	-67.33
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC[N@@H+](C)C1	REAL300029011654	1	51	0.0	-73.08	378.66	4.72	-68.36
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC[N@@H+]1C1CC1	REAL300029011660	0	52	0.0	-67.87	391.24	5.33	-62.54
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC[N@H+]1C1CC1	REAL300029011660	1	52	0.0	-53.85	376.17	5.74	-48.11
CC(C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300029011697	1	48	0.0	-73.13	367.43	4.09	-69.04
CCC(CC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029011706	0	56	0.0	-74.90	410.02	5.89	-69.01
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)C[NH+](C)C	REAL300029011715	0	53	0.0	-69.40	375.05	4.59	-64.81
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300029011738	0	53	0.0	-79.82	390.28	5.41	-74.41
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300029011738	1	53	0.0	-67.75	389.85	6.50	-61.25
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCC(O)CC1	REAL300029011761	1	52	0.0	-76.07	391.96	1.85	-74.22
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)C1CC1	REAL300029011763	0	48	0.0	-68.96	368.64	4.76	-64.20
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)C1CC1	REAL300029011763	1	48	0.0	-68.77	368.51	4.75	-64.02
CC(C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300029011764	1	56	0.0	-70.32	405.06	2.90	-67.42
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1C[NH+](C)C1	REAL300029011793	0	48	0.0	-72.42	370.69	4.21	-68.21
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[N@@H+]1C1CCCC1	REAL300029011797	0	55	0.0	-77.32	414.43	6.29	-71.03
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[N@H+]1C1CCCC1	REAL300029011797	1	55	0.0	-50.64	386.91	6.08	-44.56
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300029011805	0	54	0.0	-66.78	376.06	4.04	-62.74
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[N@H+]1C(C)(C)C	REAL300029011805	1	54	0.0	-54.69	369.45	5.85	-48.84
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300029011816	0	54	0.0	-81.68	414.31	3.61	-78.07
C[C@@H](C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029011819	0	47	0.0	-70.30	353.79	3.67	-66.63
CCC1CCC[N@H+](CC(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029011871	0	57	0.0	-76.34	414.84	6.35	-69.99
CCC1CCC[N@@H+](CC(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029011871	1	57	0.0	-71.55	420.35	6.46	-65.09
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=C(C[NH+](C)C)N1	REAL300029011880	0	52	0.0	-78.78	401.24	5.09	-73.69
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC2CCC(C1)[NH+]2C	REAL300029011895	0	58	0.0	-70.31	403.28	5.78	-64.53
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CN1C=CSC1=[NH2+]	REAL300029011941	0	44	0.0	-67.92	366.32	3.53	-64.39
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[N@H+](C)CCO	REAL300029011954	0	51	0.0	-73.60	389.71	1.40	-72.20
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[N@@H+](C)CCO	REAL300029011954	1	51	0.0	-72.94	389.86	1.39	-71.55
C[C@@H](C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029011955	0	47	0.0	-70.30	353.79	3.67	-66.63
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CCCC[N@@H+]1C	REAL300029011959	0	51	0.0	-45.96	359.19	5.10	-40.86
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CCCC[N@H+]1C	REAL300029011959	1	51	0.0	-77.51	374.01	4.53	-72.98
CC1CN2CC[N@@H+]1CC2C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029011969	0	54	0.0	-72.50	388.54	1.95	-70.55
CC1CN2CC[N@H+]1CC2C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029011969	1	54	0.0	-78.96	376.88	3.74	-75.22
COC1C[N@@H+]2CCCC2(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029012018	0	56	0.0	-82.52	405.64	3.82	-78.70
COC1C[N@H+]2CCCC2(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029012018	1	56	0.0	-70.14	412.90	3.71	-66.43
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CC2=C[NH+]=CN2C=C1	REAL300029012034	0	49	0.0	-70.67	393.65	7.59	-63.08
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)C1CCSC1	REAL300029012067	0	52	0.0	-75.91	398.52	5.61	-70.30
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)C1CCSC1	REAL300029012067	1	52	0.0	-77.51	398.73	5.57	-71.94
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCC1	REAL300029012068	1	45	0.0	-72.04	349.34	3.78	-68.26
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=NC(C[NH+](C)C)=C1	REAL300029012106	1	53	0.0	-76.88	411.73	5.05	-71.83
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C=C1CC[N@H+](C)C1	REAL300029012108	0	49	0.0	-81.41	378.88	4.84	-76.57
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C=C1CC[N@@H+](C)C1	REAL300029012108	1	49	0.0	-81.67	378.92	4.84	-76.83
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1C[NH+](C2CCCCC2)C1	REAL300029012135	0	58	0.0	-71.27	431.48	6.70	-64.57
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)COCC[NH+](C)C	REAL300029012153	0	51	0.0	-71.96	395.11	4.39	-67.57
CCCCC[N@H+](C)CCC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029012160	0	59	0.0	-80.56	444.67	6.76	-73.80
CCCCC[N@@H+](C)CCC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029012160	1	59	0.0	-75.20	443.85	6.93	-68.27
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300029012170	0	55	0.0	-79.83	417.30	5.49	-74.34
C=CCC(C)(C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029012182	0	54	0.0	-77.54	356.83	6.30	-71.24
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(O)CC[S+](C)C	REAL300029012187	0	50	0.0	-87.51	387.20	3.45	-84.06
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CC(O)C[N@@H+]1C	REAL300029012222	0	52	0.0	-70.77	375.57	1.32	-69.45
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CN(C)CC[N@H+](C)C1	REAL300029012237	0	56	0.0	-50.21	387.72	4.78	-45.43
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CN(C)CC[N@@H+](C)C1	REAL300029012237	1	56	0.0	-50.21	387.72	4.78	-45.43
CC(C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300029012238	0	55	0.0	-48.95	399.51	2.69	-46.26
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1(O)CCC[N@H+](C)C1	REAL300029012263	0	55	0.0	-71.05	401.64	3.37	-67.68
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1(O)CCC[N@@H+](C)C1	REAL300029012263	1	55	0.0	-71.05	401.64	3.37	-67.68
CC1CN(CC(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029012267	0	48	0.0	-77.03	372.55	4.47	-72.56
CC1C[NH+](CC(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029012267	1	48	0.0	-77.03	372.55	4.47	-72.56
CN(CCO)CC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029012297	0	48	0.0	-71.63	367.33	0.79	-70.84
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)CCO	REAL300029012297	1	48	0.0	-72.11	367.05	0.80	-71.31
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)CCO	REAL300029012297	1	48	0.0	-72.11	367.05	0.80	-71.31
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C=C1CC2CCC(C1)[NH+]2C	REAL300029012320	0	56	0.0	-71.85	411.61	6.29	-65.56
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1C[N@@H+]2CCN1CCC2	REAL300029012325	0	54	0.0	-77.13	382.15	2.69	-74.44
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1C[N@H+]2CCN1CCC2	REAL300029012325	1	54	0.0	-77.13	382.15	2.69	-74.44
CC[N@@H+]1CCCC(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029012334	0	54	0.0	-75.91	398.59	5.36	-70.55
CC[N@H+]1CCCC(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029012334	1	54	0.0	-75.91	398.59	5.36	-70.55
CC(CC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029012336	0	53	0.0	-74.29	396.42	5.39	-68.90
CC[N@H+](C)CC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029012352	0	47	0.0	-71.26	356.97	4.02	-67.24
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CCC[N@@H+]1CCCC2	REAL300029012381	0	55	0.0	-54.00	369.40	5.80	-48.20
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CCC[N@H+]1CCCC2	REAL300029012381	1	55	0.0	-54.00	369.40	5.80	-48.20
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CCC[N@@H+]1CC=CC2	REAL300029012391	0	53	0.0	-52.32	366.17	5.30	-47.02
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CCC[N@H+]1CC=CC2	REAL300029012391	1	53	0.0	-52.32	366.17	5.30	-47.02
CC[N@H+](CC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029012419	0	51	0.0	-69.05	384.73	5.36	-63.69
CC[NH+](CC)CCC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029012444	0	53	0.0	-72.47	397.96	5.31	-67.16
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CN1CC(C)(C)C1	REAL300029012478	0	51	0.0	-76.16	391.65	4.90	-71.26
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CC(C)(C)C1	REAL300029012478	1	51	0.0	-76.16	391.65	4.90	-71.26
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCCC[NH+]1CCCCC1	REAL300029012484	0	60	0.0	-72.88	446.94	7.38	-65.50
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300029012519	0	52	0.0	-75.84	399.08	1.73	-74.11
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C=CC[NH+](C)C	REAL300029012532	0	48	0.0	-75.50	375.72	4.62	-70.88
CC(OCC[NH+](C)C)C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029012559	0	54	0.0	-70.60	409.55	4.83	-65.77
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCOCC[NH+](C)C	REAL300029012570	0	54	0.0	-71.94	417.33	4.19	-67.75
COCCN(C)CC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029012571	0	51	0.0	-72.10	389.31	3.18	-68.92
COCC[N@H+](C)CC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029012571	1	51	0.0	-71.82	389.57	3.19	-68.63
COCC[N@@H+](C)CC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029012571	1	51	0.0	-71.82	389.57	3.19	-68.63
COCCCC[N@H+](C)CCC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029012603	0	60	0.0	-78.09	456.02	5.22	-72.87
COCCCC[N@@H+](C)CCC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029012603	1	60	0.0	-78.09	456.02	5.22	-72.87
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1([NH+](C)C)CCCC1	REAL300029012629	0	54	0.0	-70.94	359.63	5.39	-65.55
CC(CCC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029012632	0	53	0.0	-76.40	393.54	5.15	-71.25
CCN1CCC1C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029012642	0	48	0.0	-70.39	371.23	4.28	-66.11
CC[N@@H+]1CCC1C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029012642	1	48	0.0	-69.98	362.07	3.99	-65.99
CC[N@H+]1CCC1C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029012642	1	48	0.0	-69.98	362.07	3.99	-65.99
CC(C)[N@@H+]1CCCC(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029012655	0	57	0.0	-75.17	415.99	5.88	-69.29
CC(C)[N@H+]1CCCC(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029012655	1	57	0.0	-75.17	415.99	5.88	-69.29
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+]1CCCC1CO	REAL300029012670	0	52	0.0	-69.76	394.84	1.87	-67.89
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC2CCCC[N@@H+]2C1	REAL300029012697	0	55	0.0	-55.69	395.43	6.47	-49.22
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC2CCCC[N@H+]2C1	REAL300029012697	1	55	0.0	-55.69	395.43	6.47	-49.22
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CC[NH+](C)CC1	REAL300029012706	0	54	0.0	-72.83	384.75	4.85	-67.98
C=CCC(C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029012749	0	51	0.0	-69.04	382.23	4.90	-64.14
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300029012767	0	54	0.0	-54.03	384.42	5.52	-48.51
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC(C)(C)C[N@H+]1C	REAL300029012767	1	54	0.0	-54.03	384.42	5.52	-48.51
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCCCC[NH+](C)C	REAL300029012772	0	56	0.0	-73.14	426.10	6.33	-66.81
CC1C[N@@H+]2CCN1C(C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300029012820	0	54	0.0	-73.95	388.66	2.04	-71.91
CCCC(C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029012821	0	53	0.0	-71.87	390.31	5.15	-66.72
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)[NH+](C)C	REAL300029012826	0	50	0.0	-67.88	359.09	3.93	-63.95
CC[NH+](CC)CCSCC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029012867	0	57	0.0	-74.06	440.87	6.73	-67.33
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCC[N@@H+]1C	REAL300029012879	0	51	0.0	-65.88	379.33	4.87	-61.01
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCC[N@H+]1C	REAL300029012879	1	51	0.0	-77.49	373.99	4.53	-72.96
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CC[N@H+](C)CC1	REAL300029012931	0	52	0.0	-74.90	401.87	5.67	-69.23
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CC[N@@H+](C)CC1	REAL300029012931	1	52	0.0	-69.59	399.18	5.69	-63.90
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1([NH+]2CCCC2)CC1	REAL300029012941	0	55	0.0	-74.27	406.08	6.07	-68.20
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)C1CCC[N@H+](C)C1	REAL300029013000	0	60	0.0	-69.44	394.76	7.15	-62.29
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)C1CCC[N@@H+](C)C1	REAL300029013000	1	60	0.0	-69.44	394.76	7.15	-62.29
CN(C)CC1=CC=C(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029013005	0	51	0.0	-76.23	401.30	5.16	-71.07
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300029013005	1	51	0.0	-76.23	401.30	5.16	-71.07
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C=CC[NH+]1CCCC1	REAL300029013029	0	52	0.0	-74.24	400.79	5.78	-68.46
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[NH+](C2CC2)CC1	REAL300029013056	0	55	0.0	-73.22	404.60	6.02	-67.20
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[NH+]1CCCC1	REAL300029013085	0	51	0.0	-72.94	387.58	5.13	-67.81
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CC(C1)C[N@@H+]2C	REAL300029013143	0	49	0.0	-71.52	365.94	4.64	-66.88
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+]1CC2CCC1C2	REAL300029013159	0	52	0.0	-73.57	387.78	5.37	-68.20
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+]1CC2CCC1C2	REAL300029013159	1	52	0.0	-73.57	387.78	5.37	-68.20
CC(C)[NH+]1CCC(CC(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029013171	0	60	0.0	-68.99	433.12	6.72	-62.27
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C=C1C[NH+]2CCC1CC2	REAL300029013222	0	53	0.0	-68.66	395.78	5.72	-62.94
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CN1CC2C=CC1C2	REAL300029013234	0	50	0.0	-49.45	362.64	5.48	-43.97
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+]1CC2C=CC1C2	REAL300029013234	1	50	0.0	-69.28	379.47	5.30	-63.98
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+]1CC2C=CC1C2	REAL300029013234	1	50	0.0	-69.28	379.47	5.30	-63.98
CC(C[NH+](C)C)C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029013299	0	50	0.0	-65.86	374.95	4.44	-61.42
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CCCC[N@@H+]1C	REAL300029013401	0	54	0.0	-67.61	392.13	5.43	-62.18
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CCCC[N@H+]1C	REAL300029013401	1	54	0.0	-67.61	392.13	5.43	-62.18
CC1=C2C=C(C(=O)N(C)CC3CCCN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=N1	REAL300029013424	0	49	0.0	-73.47	396.80	7.33	-66.14
CC1=C2C=C(C(=O)N(C)CC3CCCN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029013424	1	49	0.0	-73.47	396.80	7.33	-66.14
CC1CCN1CC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029013429	0	48	0.0	-69.86	371.71	4.44	-65.42
CC1CC[N@@H+]1CC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029013429	1	48	0.0	-74.76	371.60	4.31	-70.45
CC1CC[N@H+]1CC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029013429	1	48	0.0	-74.76	371.60	4.31	-70.45
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC(O)C[NH+](C)C	REAL300029013434	0	51	0.0	-77.16	391.94	2.33	-74.83
CC1CN(C)CC(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029013472	0	52	0.0	-80.26	386.93	4.24	-76.02
CC1C[N@H+](C)CC(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029013472	1	52	0.0	-83.75	368.28	5.87	-77.88
CC1C[N@@H+](C)CC(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029013472	1	52	0.0	-83.75	368.28	5.87	-77.88
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[NH+]1CCC(O)CC1	REAL300029013484	0	55	0.0	-76.77	414.33	2.49	-74.28
CCC[N@@H+]1CCCCC1C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029013487	0	57	0.0	-65.98	418.57	6.26	-59.72
CCC[N@H+]1CCCCC1C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029013487	1	57	0.0	-65.98	418.57	6.26	-59.72
CC[NH+]1CCN(CCC(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029013492	0	59	0.0	-74.15	437.84	4.07	-70.08
CCN1CC[NH+](CCC(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029013492	1	59	0.0	-74.15	437.84	4.07	-70.08
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300029013495	0	58	0.0	-55.03	392.46	7.26	-47.77
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300029013495	1	58	0.0	-55.03	392.46	7.26	-47.77
CC(C)C[NH+]1CCC(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029013543	0	60	0.0	-74.98	436.63	6.92	-68.06
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CN1CCC([NH+](C)C)CC1	REAL300029013569	0	59	0.0	-71.74	433.35	4.04	-67.70
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300029013591	0	51	0.0	-73.30	388.57	5.07	-68.23
CC(CC[NH+](C)C)C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029013599	0	53	0.0	-72.37	396.75	5.06	-67.31
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300029013633	0	55	0.0	-68.71	411.04	2.55	-66.16
C#CCN1CCCCC1C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029013642	0	53	0.0	-70.41	392.94	5.65	-64.76
C#CC[N@H+]1CCCCC1C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029013642	1	53	0.0	-52.08	384.01	6.33	-45.75
C#CC[N@@H+]1CCCCC1C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029013642	1	53	0.0	-52.08	384.01	6.33	-45.75
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CN1CCN(C)CC1	REAL300029013648	0	53	0.0	-72.54	399.04	2.82	-69.72
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CN1CC[NH+](C)CC1	REAL300029013648	1	53	0.0	-72.54	399.04	2.82	-69.72
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CSC(N)=[NH2+]	REAL300029013689	0	42	0.0	-73.23	347.77	0.31	-72.92
CC[N@H+]1CCOCC1CC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029013737	1	55	0.0	-75.44	407.30	3.82	-71.62
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1(CC[NH+](C)C)CCCC1	REAL300029013756	0	60	0.0	-70.20	431.19	6.43	-63.77
CC1CCCC(C)[NH+]1CCC(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029013758	0	60	0.0	-69.89	430.60	6.48	-63.41
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC([NH+](C)C)CC1	REAL300029013761	0	57	0.0	-64.61	403.67	5.66	-58.95
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1(CC[NH+](C)C)CC1	REAL300029013762	0	54	0.0	-76.82	410.90	5.76	-71.06
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300029013766	0	57	0.0	-70.91	405.49	5.72	-65.19
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC=CC[N@@H+]1C	REAL300029013767	0	52	0.0	-67.97	385.44	5.39	-62.58
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC=CC[N@H+]1C	REAL300029013767	1	52	0.0	-75.47	389.95	5.44	-70.03
C[C@@H](OCC[NH+](C)C)C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029013797	0	54	0.0	-46.09	395.38	5.67	-40.42
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC2CCC(C1)[NH+]2C	REAL300029013831	0	55	0.0	-53.17	368.29	5.06	-48.11
CC(C(=O)N(C)CC1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300029013984	1	52	0.0	-70.06	394.21	5.21	-64.85
CCC1C[NH+](CC(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029013987	1	51	0.0	-72.64	393.02	5.21	-67.43
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1C[NH+](C2CCOCC2)C1	REAL300029013989	0	56	0.0	-82.80	421.91	4.11	-78.69
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1([NH+]2CCCC2)CCC1	REAL300029013991	0	55	0.0	-78.92	394.73	5.56	-73.36
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300029014002	0	48	0.0	-71.89	353.03	3.66	-68.23
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300029014002	1	48	0.0	-72.94	365.54	4.18	-68.76
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[N@@H+]1CCC(F)C1	REAL300029014012	0	51	0.0	-82.79	396.74	5.12	-77.67
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[N@H+]1CCC(F)C1	REAL300029014012	1	51	0.0	-81.36	393.19	5.07	-76.29
COC1C[N@H+](C)C(C)(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029014021	0	55	0.0	-84.83	399.09	3.31	-81.52
COC1C[N@@H+](C)C(C)(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029014021	1	55	0.0	-79.19	399.65	3.32	-75.87
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[NH+]1CCCCCC1	REAL300029014034	0	57	0.0	-74.82	413.22	6.03	-68.79
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCCCC1	REAL300029014036	0	51	0.0	-71.04	380.96	5.22	-65.82
CC1C(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029014046	0	51	0.0	-74.90	377.38	4.46	-70.44
CC1C(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029014046	1	51	0.0	-70.68	376.91	4.41	-66.27
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCC1CCCC[N@@H+]1C	REAL300029014049	0	57	0.0	-70.75	419.77	6.31	-64.44
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCC1CCCC[N@H+]1C	REAL300029014049	1	57	0.0	-70.67	420.31	6.33	-64.34
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[N@@H+]2CCOCC12	REAL300029014085	0	53	0.0	-75.94	395.83	3.55	-72.39
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[N@H+]2CCOCC12	REAL300029014085	1	53	0.0	-73.12	390.76	3.39	-69.73
CC1=[NH+]C=C2C=CC(C(=O)N(C)CC3CCCN3C(=O)C3=CC(=O)[N-]O3)=CN21	REAL300029014093	0	49	0.0	-69.04	387.38	6.24	-62.80
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1COCC[N@@H+]1C	REAL300029014113	1	52	0.0	-70.81	382.36	3.05	-67.76
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1COCC[N@H+]1C	REAL300029014113	1	52	0.0	-78.09	389.41	3.22	-74.87
CC1=C(C)[NH+]=C(CCC(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)N1	REAL300029014124	1	52	0.0	-72.79	410.32	4.54	-68.25
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300029014139	1	55	0.0	-76.76	421.30	6.77	-69.99
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[N@H+]1CC1=CC=CC=C1	REAL300029014139	1	55	0.0	-73.46	423.98	7.03	-66.43
CC(C)C[N@@H+]1CCCC(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029014143	0	60	0.0	-65.67	431.15	7.05	-58.62
CC(C)C[N@H+]1CCCC(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029014143	1	60	0.0	-55.90	428.65	6.45	-49.45
CN(CC1CCCN1C(=O)C1CCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029014310	0	48	0.0	-69.35	358.51	3.87	-65.48
CN(CC1CCCN1C(=O)C1CCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029014310	1	48	0.0	-67.06	366.16	4.26	-62.80
CC1=[NH+]C=CN1CCCC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029014504	1	52	0.0	-68.10	411.58	6.34	-61.76
CN(CC1CCCN1C(=O)CCCC[NH+]1CCOCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029014508	1	58	0.0	-74.93	438.88	5.02	-69.91
CN(CC1CCCN1C(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029014512	0	54	0.0	-76.08	402.80	7.14	-68.94
CN(CC1CCCN1C(=O)CC[NH+]1CCOCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029014513	1	52	0.0	-75.22	395.88	3.43	-71.79
CCC[NH+](CCC)CCCC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029014532	0	62	0.0	-72.13	458.71	7.35	-64.78
CN(CC1CCCN1C(=O)C1=CC2=C[NH+]=CN2C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029014560	1	46	0.0	-72.90	352.33	5.86	-67.04
CN(CC1CCCN1C(=O)C1CCCC([NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029014625	0	57	0.0	-70.40	415.57	6.00	-64.40
CN(CC1CCCN1C(=O)CC1CC[N@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029014630	0	51	0.0	-79.23	387.21	4.90	-74.33
CN(CC1CCCN1C(=O)CC1CC[N@@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029014630	1	51	0.0	-77.90	387.61	4.90	-73.00
CCC(C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029014647	0	50	0.0	-66.50	365.89	4.21	-62.29
CN(CC1CCCN1C(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029014656	1	49	0.0	-80.89	397.08	5.09	-75.80
CC1CC2CCC(C(=O)N3CCCC3CN(C)C(=O)C3=CC(=O)[N-]O3)C[N@@H+]2C1	REAL300029014699	0	58	0.0	-39.97	398.07	7.40	-32.57
CC1CC2CCC(C(=O)N3CCCC3CN(C)C(=O)C3=CC(=O)[N-]O3)C[N@H+]2C1	REAL300029014699	1	58	0.0	-64.64	418.91	6.66	-57.98
CN(CC1CCCN1C(=O)CCCC[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300029014728	0	53	0.0	-72.67	405.84	5.53	-67.14
CCC[N@H+](C)CCC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029014749	0	53	0.0	-77.91	402.48	5.26	-72.65
CCC[N@@H+](C)CCC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029014749	1	53	0.0	-77.88	402.48	5.28	-72.60
CCC[N@H+](C)CC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029014753	0	50	0.0	-70.89	380.63	4.77	-66.12
CCC[N@@H+](C)CC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029014753	1	50	0.0	-73.93	382.14	4.82	-69.11
CN(CC1CCCN1C(=O)C12CC[N@H+](C1)CCC2)C(=O)C1=CC(=O)[N-]O1	REAL300029014776	0	52	0.0	-54.46	360.44	4.66	-49.80
CN(CC1CCCN1C(=O)C12CC[N@@H+](C1)CCC2)C(=O)C1=CC(=O)[N-]O1	REAL300029014776	1	52	0.0	-52.42	356.58	4.49	-47.93
CCCCCC[N@H+](C)CC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029014815	0	59	0.0	-72.20	445.13	7.11	-65.09
CCCCCC[N@@H+](C)CC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029014815	1	59	0.0	-75.06	446.64	7.16	-67.90
CC1CC[NH+](CC(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029014861	0	54	0.0	-75.22	403.47	5.72	-69.50
CN(CC1CCCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029014886	1	49	0.0	-63.69	385.11	4.92	-58.77
CN(CC1CCCN1C(=O)COC1CC[NH+](C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029014893	0	55	0.0	-85.44	419.49	5.37	-80.07
CN(CC1CCCN1C(=O)C1CC2CCCC[N@@H+]2C1)C(=O)C1=CC(=O)[N-]O1	REAL300029014951	0	55	0.0	-74.92	403.12	5.78	-69.14
CN(CC1CCCN1C(=O)C1CC2CCCC[N@H+]2C1)C(=O)C1=CC(=O)[N-]O1	REAL300029014951	1	55	0.0	-67.90	404.42	5.94	-61.96
CN(CC1CCCN1C(=O)C1(C[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029014963	0	51	0.0	-69.33	358.49	4.83	-64.50
CC1=[NH+]C=C2CCC(C(=O)N3CCCC3CN(C)C(=O)C3=CC(=O)[N-]O3)CN21	REAL300029014964	1	53	0.0	-48.22	387.70	6.29	-41.93
CC(C)[NH+]1CCC(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029014974	0	57	0.0	-72.53	411.77	5.77	-66.76
CC[N@H+](C)CCC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029015008	0	50	0.0	-77.86	379.64	4.48	-73.38
CC[N@@H+](C)CCC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029015008	1	50	0.0	-77.80	379.64	4.49	-73.31
CN(CC1CCCN1C(=O)C1C[NH+]2CCC1CC2)C(=O)C1=CC(=O)[N-]O1	REAL300029015053	0	52	0.0	-82.57	377.99	4.86	-77.71
CN(CC1CCCN1C(=O)C1CC[NH+](C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029015135	0	51	0.0	-74.93	380.48	4.75	-70.18
CN(CC1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029015222	0	58	0.0	-59.25	416.42	7.44	-51.81
CC[NH+](CC)CC(F)C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029015265	0	53	0.0	-70.91	398.88	5.08	-65.83
CC(C)C[N@@H+]1CCC(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029015299	0	57	0.0	-75.65	420.41	6.13	-69.52
CC(C)C[N@H+]1CCC(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029015299	1	57	0.0	-70.47	419.93	6.21	-64.26
CCC(C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300029015328	0	56	0.0	-64.42	400.19	5.24	-59.18
CC1CCC[N@@H+]1CC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029015353	0	51	0.0	-70.19	379.60	4.64	-65.55
CC1CCC[N@H+]1CC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029015353	1	51	0.0	-71.17	385.62	5.09	-66.08
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029015430	1	55	0.0	-70.69	426.30	6.46	-64.23
CC(C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300029015434	0	57	0.0	-66.17	408.86	5.73	-60.44
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029015465	0	54	0.0	-66.98	389.12	5.46	-61.52
CC(C)[N@H+]1CCCC1C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029015465	1	54	0.0	-67.24	391.69	5.71	-61.53
CC(C)[N@@H+]1CCCC1CC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029015474	0	57	0.0	-52.04	402.00	6.89	-45.15
CC(C)[N@H+]1CCCC1CC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029015474	1	57	0.0	-69.46	400.21	6.24	-63.22
CC1CC[N@H+](CC(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029015520	0	51	0.0	-69.71	386.15	5.15	-64.56
CC1CC[N@@H+](CC(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029015520	1	51	0.0	-69.63	385.90	5.14	-64.49
CN(CC1CCCN1C(=O)C1(F)CC[N@@H+](C(C)(C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029015521	0	57	0.0	-66.90	419.07	5.54	-61.36
CN(CC1CCCN1C(=O)C1(F)CC[N@H+](C(C)(C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029015521	1	57	0.0	-67.78	417.39	5.47	-62.31
CC1=[NH+]C=C2CC(C(=O)N3CCCC3CN(C)C(=O)C3=CC(=O)[N-]O3)CCN21	REAL300029015522	1	53	0.0	-68.34	406.75	5.96	-62.38
CN(CC1CCCN1C(=O)C[N@@H+]1CCC(C)(C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029015525	0	54	0.0	-69.62	406.66	5.65	-63.97
CN(CC1CCCN1C(=O)C[N@H+]1CCC(C)(C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029015525	1	54	0.0	-69.79	406.01	5.63	-64.16
CN(CC1CCCN1C(=O)C[N@H+](C)CC(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL300029015526	0	56	0.0	-74.69	411.46	5.74	-68.95
CN(CC1CCCN1C(=O)C[N@@H+](C)CC(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL300029015526	1	56	0.0	-70.76	407.98	5.82	-64.94
CC[C@@H](C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029015535	0	50	0.0	-67.57	367.66	4.26	-63.31
CC(COCC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCC1	REAL300029015542	0	58	0.0	-68.22	439.19	6.17	-62.05
CN(CC1CCCN1C(=O)CCN(C)C1=CC=[NH+]C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029015687	0	53	0.0	-68.43	415.09	5.08	-63.35
CC1=[NH+]C=CN1CC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029015795	1	46	0.0	-70.87	372.37	4.95	-65.92
CC(C[NH+]1CCOCC1)C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029015797	1	55	0.0	-73.09	408.47	3.88	-69.21
CN(CC1CCCN1C(=O)CCC[NH+]1CCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029015815	0	57	0.0	-71.45	425.52	6.60	-64.85
CN(CC1CCCN1C(=O)C1=NOC(C[NH+](C)C)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029015830	1	50	0.0	-82.96	395.78	4.47	-78.49
CC1=C(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300029015832	0	49	0.0	-72.60	392.93	6.96	-65.64
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029015878	1	52	0.0	-70.01	408.70	6.08	-63.93
CN(CC1CCCN1C(=O)C1CCCC2CCC[N@@H+]21)C(=O)C1=CC(=O)[N-]O1	REAL300029015925	0	55	0.0	-61.03	375.17	6.15	-54.88
CN(CC1CCCN1C(=O)C1CCCC2CCC[N@H+]21)C(=O)C1=CC(=O)[N-]O1	REAL300029015925	1	55	0.0	-63.09	401.11	5.95	-57.14
CC[N@@H+]1CCOC(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029015956	1	52	0.0	-72.09	383.62	4.11	-67.98
CC[N@H+]1CCOC(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029015956	1	52	0.0	-70.72	383.58	4.03	-66.69
CN(CC1CCCN1C(=O)C1=CN2C=[NH+]C=C2C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029016018	0	46	0.0	-70.04	352.55	5.90	-64.14
CC1=C[NH+]=CN1CC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029016023	1	46	0.0	-74.36	372.70	5.68	-68.68
CN(CC1CCCN1C(=O)C1=CN(CC[NH+](C)C)N=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029016028	0	54	0.0	-77.63	419.69	4.49	-73.14
CN(CC1CCCN1C(=O)C1=NN(CC[NH+](C)C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029016041	0	54	0.0	-93.75	422.23	5.02	-88.73
C[C@@H]1[C@H](C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029016048	0	51	0.0	-74.36	375.47	4.32	-70.04
C[C@@H]1[C@H](C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029016048	1	51	0.0	-71.90	381.57	4.98	-66.92
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029016050	1	55	0.0	-71.04	427.00	6.51	-64.53
CC[C@@H]1[C@@H](C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029016053	0	54	0.0	-79.43	396.79	4.85	-74.58
CC[C@@H]1[C@@H](C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029016053	1	54	0.0	-76.25	400.67	5.35	-70.90
CC1CCC(C)[NH+]1CC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029016069	0	54	0.0	-70.62	396.44	5.10	-65.52
CN(CC1CCCN1C(=O)CCC[NH+]1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029016076	0	54	0.0	-71.00	409.57	5.87	-65.13
CN(CC1CCCN1C(=O)C1=CC(C[NH+](C)C)=CC=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029016077	0	54	0.0	-71.71	399.54	5.78	-65.93
C#CC[NH+]1CCC(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029016083	0	53	0.0	-86.43	405.93	5.83	-80.60
CN(CC1CCCN1C(=O)CC[NH+]1CCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029016084	0	54	0.0	-76.10	404.89	5.74	-70.36
CN(CC1CCCN1C(=O)CN1C=[NH+]C2=C1CCCC2)C(=O)C1=CC(=O)[N-]O1	REAL300029016102	1	53	0.0	-74.12	414.53	7.41	-66.71
CN(CC1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029016135	0	60	0.0	-77.95	373.25	6.15	-71.80
CN(CC1CCCN1C(=O)CC[N@H+](C)C1CCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029016139	0	60	0.0	-79.00	437.96	6.88	-72.12
CN(CC1CCCN1C(=O)CC[N@@H+](C)C1CCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029016139	1	60	0.0	-79.06	437.96	6.86	-72.20
CN(CC1CCCN1C(=O)CC1([NH+](C)C)CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029016142	0	57	0.0	-62.94	392.76	6.08	-56.86
CN(CC1CCCN1C(=O)C[N@H+](C)C1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029016339	0	51	0.0	-72.41	388.74	5.28	-67.13
CN(CC1CCCN1C(=O)C[N@@H+](C)C1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029016339	1	51	0.0	-71.19	386.94	5.25	-65.94
CC(C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300029016364	0	57	0.0	-58.55	378.04	5.23	-53.32
CN(CC1CCCN1C(=O)CCCC[NH+]1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029016383	0	57	0.0	-71.66	431.94	6.74	-64.92
CN(CC1CCCN1C(=O)C[N@H+](C)CC1=CC=CC=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029016386	1	54	0.0	-75.26	417.37	6.97	-68.29
CN(CC1CCCN1C(=O)C[N@@H+](C)CC1=CC=CC=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029016386	1	54	0.0	-75.33	418.17	6.97	-68.36
CN(CC1CCCN1C(=O)C1CC[NH+](C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029016401	0	51	0.0	-74.93	380.48	4.75	-70.18
CN(CC1CCCN1C(=O)[C@H]1CCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029016453	0	48	0.0	-67.15	362.26	4.25	-62.90
CN(CC1CCCN1C(=O)[C@H]1CCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029016453	1	48	0.0	-68.68	359.22	3.86	-64.82
CN(CC1CCCN1C(=O)CCC1CCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029016484	0	54	0.0	-76.07	402.41	5.40	-70.67
CN(CC1CCCN1C(=O)CCC1CCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029016484	1	54	0.0	-74.07	408.06	5.91	-68.16
CN(CC1CCCN1C(=O)C1CCC2CCCC[N@@H+]21)C(=O)C1=CC(=O)[N-]O1	REAL300029016500	0	55	0.0	-66.53	399.79	5.82	-60.71
CN(CC1CCCN1C(=O)C1CCC2CCCC[N@H+]21)C(=O)C1=CC(=O)[N-]O1	REAL300029016500	1	55	0.0	-71.56	399.94	5.76	-65.80
CCC[N@@H+]1CCCC(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029016577	0	57	0.0	-64.81	414.73	6.34	-58.47
CCC[N@H+]1CCCC(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029016577	1	57	0.0	-70.26	420.25	6.15	-64.11
CC(C)[N@@H+]1CCOC(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029016593	1	55	0.0	-75.84	407.71	4.72	-71.12
CC(C)[N@H+]1CCOC(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029016593	1	55	0.0	-76.32	408.74	4.81	-71.51
CN(CC1CCCN1C(=O)C[NH+]1CCC(CO)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029016667	0	55	0.0	-75.81	414.28	2.44	-73.37
CN(CC1CCCN1C(=O)C=C1CC2CCC(C1)[NH+]2C)C(=O)C1=CC(=O)[N-]O1	REAL300029016704	0	56	0.0	-70.08	412.32	6.36	-63.72
CC1C(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029016722	0	51	0.0	-77.39	390.40	4.76	-72.63
CC1C(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029016722	1	51	0.0	-80.75	376.75	4.27	-76.48
CN(CC1CCCN1C(=O)CCC1CCCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029016726	0	57	0.0	-75.41	422.13	6.25	-69.16
CN(CC1CCCN1C(=O)CCC1CCCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029016726	1	57	0.0	-68.96	421.76	6.34	-62.62
CN(CC1CCCN1C(=O)C1=CC2=C(CCC2)[NH+]=C1N)C(=O)C1=CC(=O)[N-]O1	REAL300029016759	1	51	0.0	-61.95	392.65	4.10	-57.85
CN(CC1CCCN1C(=O)C1CC[N@@H+]1C(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL300029016825	0	54	0.0	-66.66	401.95	5.04	-61.62
CN(CC1CCCN1C(=O)C1CC[N@H+]1C(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL300029016825	1	54	0.0	-66.84	379.29	4.83	-62.01
CN(CC1CCCN1C(=O)C1CCN(C2=CC=[NH+]C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029016843	0	54	0.0	-68.46	416.09	3.94	-64.52
C[C@@H](C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029016848	0	47	0.0	-68.73	354.35	3.65	-65.08
CN(CC1CCCN1C(=O)C1=CC=NC(C[NH+](C)C)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029016868	1	53	0.0	-56.99	400.04	5.43	-51.56
C=CCC(C)(C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029016874	0	54	0.0	-62.08	367.85	5.28	-56.80
CC[NH+](CC)CCSCC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029016907	0	57	0.0	-73.27	442.37	6.74	-66.53
CN(CC1CCCN1C(=O)C1=C(N)C2=CC=CC=C2[NH+]=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029016908	1	50	0.0	-64.40	390.46	3.50	-60.90
CN(CC1CCCN1C(=O)CC[NH+]1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029016913	0	51	0.0	-77.24	387.62	4.93	-72.31
CN(CC1CCCN1C(=O)C[N@H+](C)CCO)C(=O)C1=CC(=O)[N-]O1	REAL300029016922	1	48	0.0	-75.32	371.01	0.83	-74.49
CN(CC1CCCN1C(=O)C[N@@H+](C)CCO)C(=O)C1=CC(=O)[N-]O1	REAL300029016922	1	48	0.0	-71.19	367.91	1.09	-70.10
CN(CC1CCCN1C(=O)C1C[N@@H+]2CCN1CCC2)C(=O)C1=CC(=O)[N-]O1	REAL300029016960	0	54	0.0	-81.64	387.11	2.45	-79.19
CN(CC1CCCN1C(=O)C1C[N@H+]2CCN1CCC2)C(=O)C1=CC(=O)[N-]O1	REAL300029016960	1	54	0.0	-87.25	390.74	2.66	-84.59
CC(C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300029016987	1	52	0.0	-38.65	376.39	6.85	-31.80
CN(CC1CCCN1C(=O)CC1=CC[N@H+](C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029017031	0	52	0.0	-73.69	398.17	5.55	-68.14
CN(CC1CCCN1C(=O)CC1=CC[N@@H+](C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029017031	1	52	0.0	-71.08	400.80	5.62	-65.46
CN(CC1CCCN1C(=O)C(O)CC[S+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300029017046	0	50	0.0	-71.43	391.52	3.06	-68.37
CN(CC1CCCN1C(=O)C1CN(C)CC[N@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029017085	0	56	0.0	-67.77	409.15	3.25	-64.52
CN(CC1CCCN1C(=O)C1CN(C)CC[N@@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029017085	1	56	0.0	-68.20	406.97	3.23	-64.97
CC(C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300029017086	0	55	0.0	-69.51	408.36	2.15	-67.36
CC(C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1)[N@H+]1CCCC(O)C1	REAL300029017086	1	55	0.0	-54.85	387.12	2.66	-52.19
CN(CC1CCCN1C(=O)CC1(O)CCC[N@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029017125	0	55	0.0	-76.24	397.94	3.61	-72.63
CN(CC1CCCN1C(=O)CC1(O)CCC[N@@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029017125	1	55	0.0	-76.13	398.22	3.61	-72.52
CC1C[NH+](CC(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029017131	1	48	0.0	-70.73	371.89	4.50	-66.23
CC[N@@H+]1CCCC(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029017137	0	54	0.0	-40.10	372.14	5.91	-34.19
CC[N@H+]1CCCC(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029017137	1	54	0.0	-57.79	371.85	5.33	-52.46
CN(CC1CCCN1C(=O)CC1=CC=C[NH+]=C1N)C(=O)C1=CC(=O)[N-]O1	REAL300029017148	0	47	0.0	-69.94	377.19	3.17	-66.77
CN(CC1CCCN1C(=O)C1CCC[N@@H+]1C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029017161	0	52	0.0	-59.84	367.19	6.01	-53.83
CN(CC1CCCN1C(=O)C1CCC[N@H+]1C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029017161	1	52	0.0	-59.91	363.77	5.37	-54.54
CN(CC1CCCN1C(=O)C=CC[NH+]1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029017211	0	52	0.0	-73.46	401.10	5.73	-67.73
CN(CC1CCCN1C(=O)C1CC[NH+](C2CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029017236	0	55	0.0	-72.18	409.33	6.17	-66.01
CC[N@H+](C)CC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029017281	0	47	0.0	-70.11	358.21	4.05	-66.06
CN(CC1CCCN1C(=O)CN1CC2C=CC1C2)C(=O)C1=CC(=O)[N-]O1	REAL300029017346	0	50	0.0	-72.24	380.06	5.34	-66.90
CN(CC1CCCN1C(=O)C[N@@H+]1CC2C=CC1C2)C(=O)C1=CC(=O)[N-]O1	REAL300029017346	1	50	0.0	-72.93	380.30	5.23	-67.70
CN(CC1CCCN1C(=O)C[N@H+]1CC2C=CC1C2)C(=O)C1=CC(=O)[N-]O1	REAL300029017346	1	50	0.0	-72.93	380.30	5.23	-67.70
CC1=CC=C(NCCC(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)N=C1	REAL300029017369	0	53	0.0	-66.46	419.36	4.81	-61.65
CC1=CC=C(NCCC(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)[NH+]=C1	REAL300029017369	1	53	0.0	-66.46	419.36	4.81	-61.65
CC(OCC[NH+](C)C)C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029017505	0	54	0.0	-67.99	412.19	4.92	-63.07
CN(CC1CCCN1C(=O)CCOCC[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300029017517	0	54	0.0	-70.62	417.20	4.22	-66.40
COCCN(C)CC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029017519	0	51	0.0	-71.46	390.17	3.51	-67.95
COCC[N@H+](C)CC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029017519	1	51	0.0	-76.15	392.92	3.15	-73.00
COCC[N@@H+](C)CC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029017519	1	51	0.0	-76.15	392.92	3.15	-73.00
CC(CCC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029017526	0	53	0.0	-74.48	393.61	5.16	-69.32
CC[N@H+](CC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029017561	0	51	0.0	-71.20	387.37	5.30	-65.90
CC1C[N@@H+]2CCN1C(C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300029017572	0	54	0.0	-52.00	370.52	4.94	-47.06
CC1=NC(N)=CC=C1C=CC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029017614	0	51	0.0	-77.53	404.67	3.92	-73.61
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029017614	1	51	0.0	-77.53	404.67	3.92	-73.61
CN(CC1CCCN1C(=O)C[N@@H+]1CC2CCC1C2)C(=O)C1=CC(=O)[N-]O1	REAL300029017622	0	52	0.0	-71.94	387.66	5.44	-66.50
CN(CC1CCCN1C(=O)C[N@H+]1CC2CCC1C2)C(=O)C1=CC(=O)[N-]O1	REAL300029017622	1	52	0.0	-71.94	387.66	5.44	-66.50
CC(C)[NH+]1CCC(CC(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029017636	0	60	0.0	-72.82	437.20	6.78	-66.04
CC(C[NH+](C)C)C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029017650	0	50	0.0	-50.53	355.74	4.36	-46.17
CCN1CCC1C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029017702	0	48	0.0	-75.07	373.10	4.28	-70.79
CC[N@@H+]1CCC1C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029017702	1	48	0.0	-74.03	372.48	4.32	-69.71
CC[N@H+]1CCC1C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029017702	1	48	0.0	-74.03	372.48	4.32	-69.71
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029017715	0	57	0.0	-68.43	415.40	5.92	-62.51
CC(C)[N@H+]1CCCC(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029017715	1	57	0.0	-68.43	415.40	5.92	-62.51
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029017733	0	56	0.0	-43.17	383.17	4.22	-38.95
C#CCN1CCCCC1C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029017783	0	53	0.0	-71.03	406.40	6.05	-64.98
C#CC[N@H+]1CCCCC1C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029017783	1	53	0.0	-58.90	364.31	5.46	-53.44
C#CC[N@@H+]1CCCCC1C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029017783	1	53	0.0	-58.90	364.31	5.46	-53.44
CNC1=NC(C)=CC=C1C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029017786	0	50	0.0	-50.02	379.46	4.48	-45.54
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029017786	1	50	0.0	-50.02	379.46	4.48	-45.54
CCCC(C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029017799	0	53	0.0	-67.27	388.96	5.06	-62.21
CC(CC[NH+](C)C)C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029017827	0	53	0.0	-48.53	380.80	5.22	-43.31
CN(CC1CCCN1C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C1=CC(=O)[N-]O1	REAL300029017885	0	58	0.0	-71.69	406.46	5.83	-65.86
CN(CC1CCCN1C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)C1=CC(=O)[N-]O1	REAL300029017885	1	58	0.0	-52.66	390.06	6.65	-46.01
COCCCC[N@H+](C)CCC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029017962	0	60	0.0	-81.87	457.65	5.12	-76.75
COCCCC[N@@H+](C)CCC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029017962	1	60	0.0	-81.78	457.65	5.13	-76.65
CN(CC1CCCN1C(=O)C1CC(C)(C)C[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029017972	0	54	0.0	-67.32	399.85	4.93	-62.39
CN(CC1CCCN1C(=O)C1CC(C)(C)C[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029017972	1	54	0.0	-67.74	399.15	5.07	-62.67
CN(CC1CCCN1C(=O)CCCCC[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300029017978	0	56	0.0	-71.70	427.35	6.31	-65.39
CN(CC1CCCN1C(=O)CC[NH+]1CCC(O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029017983	0	55	0.0	-74.93	415.13	2.45	-72.48
CCC[N@@H+]1CCCCC1C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029017988	0	57	0.0	-60.12	378.58	5.69	-54.43
CCC[N@H+]1CCCCC1C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029017988	1	57	0.0	-70.78	420.61	6.27	-64.51
CC[NH+]1CCN(CCC(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029017997	0	59	0.0	-70.98	439.09	4.06	-66.92
CCN1CC[NH+](CCC(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029017997	1	59	0.0	-72.83	438.58	4.02	-68.81
CN(CC1CCCN1C(=O)CN1CC[NH+](C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029018001	1	53	0.0	-74.71	398.95	2.63	-72.08
CC(C)C[NH+]1CCC(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029018125	0	60	0.0	-74.20	436.71	6.86	-67.34
CC1C[N@H+](C)CC(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)O1	REAL300029018128	1	52	0.0	-79.98	388.19	4.33	-75.65
CC1C[N@@H+](C)CC(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)O1	REAL300029018128	1	52	0.0	-81.66	387.34	3.91	-77.75
CCC1CCC[N@H+](CC(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029018164	0	57	0.0	-71.08	415.20	5.99	-65.09
CCC1CCC[N@@H+](CC(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029018164	1	57	0.0	-70.24	421.45	6.51	-63.73
CN(CC1CCCN1C(=O)C1=CC=C(C[NH+](C)C)N1)C(=O)C1=CC(=O)[N-]O1	REAL300029018174	0	52	0.0	-80.17	402.78	4.72	-75.45
CN(CC1CCCN1C(=O)C[NH+]1CC2CC2C1)C(=O)C1=CC(=O)[N-]O1	REAL300029018196	0	49	0.0	-70.61	375.48	5.28	-65.33
CN(CC1CCCN1C(=O)CC1([NH+]2CCCC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029018214	0	55	0.0	-49.00	389.26	7.19	-41.81
CC([NH2+]C1(CO)CCCC1)C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029018231	0	58	0.0	-67.78	415.33	1.00	-66.78
CN(CC1CCCN1C(=O)C1CCCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029018260	0	51	0.0	-77.12	374.83	4.57	-72.55
CN(CC1CCCN1C(=O)C1CCCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029018260	1	51	0.0	-71.42	382.06	4.83	-66.59
CN(CC1CCCN1C(=O)C1CC[N@@H+]1CC1=CC=CC=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029018266	1	55	0.0	-68.48	424.87	7.09	-61.39
CN(CC1CCCN1C(=O)C1CC[N@H+]1CC1=CC=CC=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029018266	1	55	0.0	-78.06	428.29	6.96	-71.10
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029018273	0	60	0.0	-74.49	437.24	6.66	-67.83
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029018273	1	60	0.0	-47.85	422.79	7.26	-40.59
CN(CC1CCCN1C(=O)CN1CCC([NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029018328	0	59	0.0	-70.43	433.95	4.10	-66.33
CN(CC1CCCN1C(=O)C=C1CC[N@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029018393	0	49	0.0	-79.84	377.14	4.95	-74.89
CN(CC1CCCN1C(=O)C=C1CC[N@@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029018393	1	49	0.0	-74.49	376.84	4.92	-69.57
CN(CC1CCCN1C(=O)CNC1=CC=[NH+]C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029018400	0	47	0.0	-69.99	376.21	2.66	-67.33
CC[NH+]1CCN(CC(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029018462	0	56	0.0	-69.85	416.87	3.53	-66.32
CN(CC1CCCN1C(=O)C=C1C[NH+]2CCC1CC2)C(=O)C1=CC(=O)[N-]O1	REAL300029018463	0	53	0.0	-67.32	395.98	5.78	-61.54
CN(CC1CCCN1C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)C(=O)C1=CC(=O)[N-]O1	REAL300029018522	0	55	0.0	-68.25	410.98	2.75	-65.50
CN(CC1CCCN1C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)C(=O)C1=CC(=O)[N-]O1	REAL300029018522	1	55	0.0	-70.94	411.80	2.54	-68.40
CN(CC1CCCN1C(=O)C1C[NH+](C2CCOCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029018531	0	56	0.0	-81.72	423.95	4.19	-77.53
CN(CC1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029018546	0	48	0.0	-75.07	358.40	3.74	-71.33
CN(CC1CCCN1C(=O)[C@@H]1CCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029018546	1	48	0.0	-67.58	363.06	4.24	-63.34
CCN1CCOCC1CC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029018584	0	55	0.0	-71.70	404.07	3.74	-67.96
CC[N@@H+]1CCOCC1CC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029018584	1	55	0.0	-56.23	395.82	4.25	-51.98
CC[N@H+]1CCOCC1CC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029018584	1	55	0.0	-56.23	395.82	4.25	-51.98
CN(CC1CCCN1C(=O)C1C[NH+](C2CCCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029018610	0	58	0.0	-79.79	430.65	6.52	-73.27
CN(CC1CCCN1C(=O)C1=CC=C2NC(N)=NC2=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029018686	0	48	0.0	-67.10	365.19	3.55	-63.55
CN(CC1CCCN1C(=O)C1=CC=C2NC(N)=[NH+]C2=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029018686	1	48	0.0	-67.10	365.19	3.55	-63.55
CN(CC1CCCN1C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029018731	0	51	0.0	-71.94	389.11	5.08	-66.86
CC1CCCC(C)[NH+]1CCC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029018743	0	60	0.0	-67.57	434.82	6.51	-61.06
CN(CC1CCCN1C(=O)C1CCC([NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029018746	0	57	0.0	-84.70	415.02	5.79	-78.91
CN(CC1CCCN1C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029018750	0	57	0.0	-65.72	408.03	5.76	-59.96
CN(CC1CCCN1C(=O)CC1CC=CC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029018751	0	52	0.0	-65.01	387.03	5.30	-59.71
CN(CC1CCCN1C(=O)CC1CC=CC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029018751	1	52	0.0	-65.89	387.82	5.32	-60.57
CC1=CC(C=CC(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)=C[NH+]=C1N	REAL300029018813	1	51	0.0	-72.58	404.98	4.35	-68.23
CN(CC1CCCN1C(=O)COCC[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300029018828	0	51	0.0	-69.86	396.25	4.48	-65.38
CCCCC[N@H+](C)CCC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029018835	0	59	0.0	-78.85	445.48	6.83	-72.02
CCCCC[N@@H+](C)CCC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029018835	1	59	0.0	-78.68	445.48	6.84	-71.84
CN(CC1CCCN1C(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1)C(=O)C1=CC(=O)[N-]O1	REAL300029018847	0	55	0.0	-71.11	416.10	5.19	-65.92
CN(CC1CCCN1C(=O)CN1C=CSC1=[NH2+])C(=O)C1=CC(=O)[N-]O1	REAL300029018873	0	44	0.0	-70.52	369.64	3.52	-67.00
C[C@@H](OCC[NH+](C)C)C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029018952	0	54	0.0	-67.89	412.35	4.97	-62.92
CN(CC1CCCN1C(=O)CC[NH+]1CCCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029019010	0	57	0.0	-78.70	414.91	5.93	-72.77
CN(CC1CCCN1C(=O)C1CCC[N@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029019016	0	51	0.0	-64.80	374.45	4.89	-59.91
CN(CC1CCCN1C(=O)C1CCC[N@@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029019016	1	51	0.0	-64.80	374.45	4.89	-59.91
CN(CC1CCCN1C(=O)C[NH+]1CCCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029019024	0	54	0.0	-75.22	393.11	5.63	-69.59
CN(CC1CCCN1C(=O)C[N+]1=CN(C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029019031	0	46	0.0	-67.41	371.85	6.90	-60.51
CN(C)CC1=CC=C(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)O1	REAL300029019049	0	51	0.0	-87.83	402.09	5.12	-82.71
CN(CC1CCCN1C(=O)C1=CC=C(C[NH+](C)C)O1)C(=O)C1=CC(=O)[N-]O1	REAL300029019049	1	51	0.0	-87.83	402.09	5.12	-82.71
CN(CC1CCCN1C(=O)C[N@H+](C)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029019078	0	48	0.0	-67.67	370.09	4.76	-62.91
CC(C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1)N1CCN(C)CC1	REAL300029019080	0	56	0.0	-70.53	409.20	3.02	-67.51
CC(C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300029019080	1	56	0.0	-70.53	409.20	3.02	-67.51
CN(CC1CCCN1C(=O)CC[N@@H+]1CCC(F)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029019085	0	51	0.0	-83.09	394.91	5.16	-77.93
CC(CC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029019120	0	53	0.0	-72.91	398.41	5.40	-67.51
CN(CC1CCCN1C(=O)C1CC[N@@H+]2CCOCC12)C(=O)C1=CC(=O)[N-]O1	REAL300029019140	0	53	0.0	-80.58	396.99	3.52	-77.06
CN(CC1CCCN1C(=O)C1CC[N@H+]2CCOCC12)C(=O)C1=CC(=O)[N-]O1	REAL300029019140	1	53	0.0	-80.58	396.99	3.52	-77.06
CN(CC1CCCN1C(=O)CC1COCCN1C)C(=O)C1=CC(=O)[N-]O1	REAL300029019169	0	52	0.0	-67.57	383.50	3.08	-64.49
CN(CC1CCCN1C(=O)CC1COCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029019169	1	52	0.0	-69.85	384.20	2.99	-66.86
CN(CC1CCCN1C(=O)CC1COCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029019169	1	52	0.0	-69.85	384.20	2.99	-66.86
CC1=CC(N)=NC=C1C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029019234	0	47	0.0	-70.43	368.58	2.55	-67.88
CC1=CC(N)=[NH+]C=C1C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029019234	1	47	0.0	-70.43	368.58	2.55	-67.88
CN(CC1CCCN1C(=O)C[N@@H+]1CCC(C)(O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029019291	0	52	0.0	-75.35	399.08	1.79	-73.56
CN(CC1CCCN1C(=O)C1=CC=NN1CC[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300029019301	0	54	0.0	-61.48	403.18	5.93	-55.55
CN(CC1CCCN1C(=O)CC1C[NH+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029019332	0	48	0.0	-71.51	371.59	4.15	-67.36
CN(CC1CCCN1C(=O)C1CC[N@@H+]1C1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029019338	0	55	0.0	-70.09	412.95	6.11	-63.98
CN(CC1CCCN1C(=O)C1CC[N@H+]1C1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029019338	1	55	0.0	-70.09	412.95	6.11	-63.98
CN(CC1CCCN1C(=O)CC[N@H+](C)CCO)C(=O)C1=CC(=O)[N-]O1	REAL300029019389	0	51	0.0	-76.25	391.55	1.33	-74.92
CN(CC1CCCN1C(=O)CC[N@@H+](C)CCO)C(=O)C1=CC(=O)[N-]O1	REAL300029019389	1	51	0.0	-76.25	391.55	1.33	-74.92
CN(CC1CCCN1C(=O)CC1CCCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029019410	0	54	0.0	-66.60	397.96	5.49	-61.11
CN(CC1CCCN1C(=O)CC1CCCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029019410	1	54	0.0	-66.60	397.96	5.49	-61.11
CC1=C2C=C(C(=O)N3CCCC3CN(C)C(=O)C3=CC(=O)[N-]O3)C=CN2C=N1	REAL300029019436	0	49	0.0	-69.99	373.69	6.45	-63.54
CC1=C2C=C(C(=O)N3CCCC3CN(C)C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029019436	1	49	0.0	-69.99	373.69	6.45	-63.54
CC1CCN1CC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029019442	0	48	0.0	-72.67	369.14	4.19	-68.48
CC1CC[N@@H+]1CC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029019442	1	48	0.0	-72.47	364.91	4.04	-68.43
CC1CC[N@H+]1CC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029019442	1	48	0.0	-72.47	364.91	4.04	-68.43
CN(CC1CCCN1C(=O)C=CC[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300029019457	0	48	0.0	-75.04	377.05	4.63	-70.41
CN(CC1CCCN1C(=O)CN1CC(C)(C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029019471	0	51	0.0	-70.70	391.01	4.97	-65.73
CN(CC1CCCN1C(=O)C[NH+]1CC(C)(C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029019471	1	51	0.0	-70.70	391.01	4.97	-65.73
CN(CC1CCCN1C(=O)CCCC[NH+]1CCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029019485	0	60	0.0	-71.37	447.03	7.40	-63.97
CC1=C(C)NC(CCC(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)=N1	REAL300029019498	0	52	0.0	-65.74	410.73	4.69	-61.05
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)N1	REAL300029019498	1	52	0.0	-65.74	410.73	4.69	-61.05
CN(CC1CCCN1C(=O)C1(C2CC[NH+](C)CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029019508	0	58	0.0	-72.01	409.15	6.73	-65.28
CC1=C2C=C(C(=O)N3CCCC3CN(C)C(=O)C3=CC(=O)[N-]O3)C=CN2C=N1	REAL300029019517	0	49	0.0	-69.99	373.69	6.45	-63.54
CC1=C2C=C(C(=O)N3CCCC3CN(C)C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029019517	1	49	0.0	-69.99	373.69	6.45	-63.54
CN(CC1CCCN1C(=O)CSCC[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300029019527	0	51	0.0	-75.63	407.51	5.37	-70.26
CN(CC1CCCN1C(=O)C1=CC2=C(CCCC2)N=C1N)C(=O)C1=CC(=O)[N-]O1	REAL300029019549	0	54	0.0	-62.04	409.78	4.68	-57.36
CN(CC1CCCN1C(=O)C1=CC2=C(CCCC2)[NH+]=C1N)C(=O)C1=CC(=O)[N-]O1	REAL300029019549	1	54	0.0	-62.04	409.78	4.68	-57.36
CN(CC1CCCN1C(=O)C[N@@H+]1CCCC1CO)C(=O)C1=CC(=O)[N-]O1	REAL300029019557	0	52	0.0	-68.64	395.44	1.96	-66.68
CC[NH+](CC)CC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029019560	0	50	0.0	-68.85	372.24	4.43	-64.42
CN(CC1CCCN1C(=O)C[N@H+](C)C1CCSC1)C(=O)C1=CC(=O)[N-]O1	REAL300029019573	0	52	0.0	-75.68	401.11	5.64	-70.04
CN(CC1CCCN1C(=O)CN1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029019575	0	45	0.0	-70.92	350.91	3.89	-67.03
CN(CC1CCCN1C(=O)C[NH+]1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029019575	1	45	0.0	-70.92	350.91	3.89	-67.03
CC[NH+](CC)CCC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029019620	0	53	0.0	-71.25	397.75	5.35	-65.90
CN(CC1CCCN1C(=O)C1CC2COCC[N@@H+]2C1)C(=O)C1=CC(=O)[N-]O1	REAL300029019714	0	53	0.0	-74.37	393.57	3.46	-70.91
CN(CC1CCCN1C(=O)C1CC2COCC[N@H+]2C1)C(=O)C1=CC(=O)[N-]O1	REAL300029019714	1	53	0.0	-74.37	393.57	3.46	-70.91
CCC(CC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029019740	0	56	0.0	-73.37	411.75	5.89	-67.48
CN(CC1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029019812	0	51	0.0	-68.24	356.75	5.48	-62.76
CC1CN2CC[N@@H+]1CC2C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029019826	0	54	0.0	-54.59	377.36	4.32	-50.27
CN(CC1CCCN1C(=O)CC(O)C[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300029019851	0	51	0.0	-75.77	393.23	2.43	-73.34
CN(CC1CCCN1C(=O)C1CC2CCC(C1)[NH+]2C)C(=O)C1=CC(=O)[N-]O1	REAL300029019854	0	55	0.0	-68.64	366.30	4.81	-63.83
C=CCC(C(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029019900	0	51	0.0	-66.70	382.26	4.77	-61.93
CN(CC1CCCN1C(=O)C1CC2CCCC[N@@H+]2C1)C(=O)C1=CC(=O)[N-]O1	REAL300029019910	0	55	0.0	-74.92	403.12	5.78	-69.14
CN(CC1CCCN1C(=O)C1CC2CCCC[N@H+]2C1)C(=O)C1=CC(=O)[N-]O1	REAL300029019910	1	55	0.0	-67.90	404.42	5.94	-61.96
CN(CC1CCCN1C(=O)CC1(O)CC[NH+](C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029019926	0	55	0.0	-71.88	411.20	3.69	-68.19
COCC[N@@H+]1CCCC1CC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029019941	0	58	0.0	-52.61	422.83	5.58	-47.03
COCC[N@H+]1CCCC1CC(=O)N1CCCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029019941	1	58	0.0	-71.37	431.46	4.46	-66.91
CN(CC1CCCN1C(=O)CC1CC2CCC(C1)[NH+]2C)C(=O)C1=CC(=O)[N-]O1	REAL300029019950	0	58	0.0	-71.11	406.24	5.87	-65.24
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=NN1CC[NH+](C)C	REAL300029019988	0	54	0.0	-75.32	398.77	5.71	-69.61
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1(C2CC[NH+](C)CC2)CC1	REAL300029020035	0	58	0.0	-69.49	424.00	6.39	-63.10
CC1=C2C=C(C(=O)N(C)CC3CCCN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029020047	1	49	0.0	-73.47	396.80	7.33	-66.14
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CSCC[NH+](C)C	REAL300029020058	0	51	0.0	-76.39	406.14	5.36	-71.03
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC2COCC[N@@H+]2C1	REAL300029020070	0	53	0.0	-75.30	394.94	3.54	-71.76
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC2COCC[N@H+]2C1	REAL300029020070	1	53	0.0	-70.33	394.97	3.55	-66.78
CC(CCNC(=O)C1CCC[N@@H+]1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029020219	0	47	0.0	-74.34	360.65	2.50	-71.84
CC(CCNC(=O)C1CCC[N@H+]1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029020219	1	47	0.0	-74.33	360.50	2.49	-71.84
CC(CCNC(=O)C1C[N@H+](C)CCO1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029020243	1	48	0.0	-80.21	371.32	2.28	-77.93
CC(CCNC(=O)C1C[N@@H+](C)CCO1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029020243	1	48	0.0	-89.92	378.44	2.43	-87.49
CC(C)C1=[NH+]C=CN1CCC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029020445	1	54	0.0	-70.17	425.99	5.10	-65.07
CC(CCNC(=O)C(C)[NH+]1CCCCCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029020453	0	56	0.0	-69.97	411.14	4.75	-65.22
CC(C)[N@@H+]1CCCCC1C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029020456	0	56	0.0	-67.99	413.20	4.44	-63.55
CC(C)[N@H+]1CCCCC1C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029020456	1	56	0.0	-68.14	407.58	4.51	-63.63
CC(C)[N@@H+]1CCCC1C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029020492	0	53	0.0	-68.68	402.86	4.19	-64.49
CC(C)[N@H+]1CCCC1C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029020492	1	53	0.0	-69.44	399.37	4.09	-65.35
CC(CCNC(=O)C1CC2CCCC[N@@H+]2C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029020522	0	54	0.0	-78.05	408.07	4.70	-73.35
CC(CCNC(=O)C1CC2CCCC[N@H+]2C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029020522	1	54	0.0	-76.09	408.07	4.71	-71.38
CC(C)C1=[NH+]C=CN1CC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029020562	1	51	0.0	-68.99	406.20	4.69	-64.30
CC1=[NH+]C=CN1CC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029020624	1	45	0.0	-70.39	369.98	3.57	-66.82
CC(C[NH+]1CCOCC1)C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029020626	0	54	0.0	-76.97	411.88	2.69	-74.28
CC(CCNC(=O)CCC[NH+]1CCCCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029020649	0	56	0.0	-76.50	425.59	5.16	-71.34
CC(CCNC(=O)C(C)(C)[NH+]1CCCCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029020690	0	56	0.0	-75.78	409.93	4.93	-70.85
CC(CCNC(=O)C1CC[N@@H+](C2CCCCC2)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029020693	0	60	0.0	-75.65	446.43	5.93	-69.72
CC(CCNC(=O)C1CC[N@H+](C2CCCCC2)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029020693	1	60	0.0	-74.77	446.24	5.89	-68.88
CC(CCNC(=O)C1C[NH+]2CCC1CC2)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029020711	0	51	0.0	-81.52	381.97	3.75	-77.77
CC(CCNC(=O)C1CCCC2CCC[N@@H+]21)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029020778	0	54	0.0	-66.09	405.61	4.80	-61.29
CC(CCNC(=O)C1CCCC2CCC[N@H+]21)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029020778	1	54	0.0	-66.94	405.14	4.79	-62.15
CC(CCNC(=O)C1=CN(CC[NH+](C)C)N=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029020781	0	53	0.0	-84.96	424.90	3.45	-81.51
CC(CCNC(=O)C1=NN(CC[NH+](C)C)C=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029020798	0	53	0.0	-92.90	425.23	3.46	-89.44
CC(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029020805	0	50	0.0	-79.73	377.65	2.92	-76.81
CC(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029020805	1	50	0.0	-77.06	383.13	3.47	-73.59
CCC1=[NH+]C=CN1C(C)CC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029020809	1	54	0.0	-70.33	426.50	5.17	-65.16
CC[C@@H]1[C@@H](C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029020812	0	53	0.0	-77.81	398.59	3.67	-74.14
CC[C@@H]1[C@@H](C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029020812	1	53	0.0	-75.01	402.05	4.18	-70.83
CC[N@@H+]1CCOC(C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029020842	1	51	0.0	-75.70	388.62	2.91	-72.79
CC[N@H+]1CCOC(C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029020842	1	51	0.0	-76.07	388.60	2.90	-73.17
CC[NH+](CC)CC(F)C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029020918	0	52	0.0	-76.91	402.37	3.83	-73.08
CC(CCNC(=O)C1=C(C[NH+](C)C)C=CS1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029020919	0	50	0.0	-62.78	406.20	4.55	-58.23
CC(CCNC(=O)C[NH+]1C(C)CCC1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021048	0	53	0.0	-69.76	397.61	3.83	-65.93
CC(CCNC(=O)CCC[NH+]1CCCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021059	0	53	0.0	-76.26	410.37	4.49	-71.77
CC(CCNC(=O)C1=CC=CC(C[NH+](C)C)=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021060	0	53	0.0	-79.69	418.74	5.43	-74.26
C#CC[NH+]1CCC(C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029021070	0	52	0.0	-81.85	410.32	4.83	-77.02
CC(CCNC(=O)CC[NH+]1CCCCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021072	0	53	0.0	-75.51	404.09	4.36	-71.15
CC(CCNC(=O)C1=CC=CC=C1C[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021076	0	53	0.0	-58.59	412.07	5.75	-52.84
CC[N@@H+]1CCCCC1C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021088	0	53	0.0	-69.21	390.97	4.05	-65.16
CC[N@H+]1CCCCC1C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021088	1	53	0.0	-70.63	390.99	4.03	-66.60
CC(C)C(C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300029021089	0	59	0.0	-67.55	429.25	5.44	-62.11
CC(CCNC(=O)C(C1=CC=CC=C1)[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021093	1	53	0.0	-71.78	415.23	5.45	-66.33
CC(C)C[N@@H+]1CCC(C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029021120	0	56	0.0	-75.13	425.63	4.93	-70.20
CC(C)C[N@H+]1CCC(C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029021120	1	56	0.0	-76.06	425.31	4.88	-71.18
CC(CCNC(=O)C1([NH+](C)C)CCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021124	0	50	0.0	-81.96	371.93	3.52	-78.44
CC(CCNC(=O)C1CCC[N@@H+]1C1CCOCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021127	0	58	0.0	-74.23	432.96	3.55	-70.68
CC(CCNC(=O)C1CCC[N@H+]1C1CCOCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021127	1	58	0.0	-74.14	432.35	3.52	-70.62
CC(CCNC(=O)C(CN1C=CC=N1)[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021129	1	53	0.0	-66.39	409.30	3.55	-62.84
CC(C)[N@@H+]1CCCC1CC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021136	0	56	0.0	-65.76	409.81	4.08	-61.68
CC(C)[N@H+]1CCCC1CC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021136	1	56	0.0	-73.87	419.90	4.61	-69.26
CC(CCNC(=O)C1CCC[N@@H+]1C1CCCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021137	0	57	0.0	-75.11	416.62	5.30	-69.81
CC(CCNC(=O)C1CCC[N@H+]1C1CCCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021137	1	57	0.0	-71.95	425.86	5.37	-66.58
CC(C)[C@@H](C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029021167	0	52	0.0	-71.26	389.93	4.21	-67.05
CC(CCNC(=O)C[N@H+](C)C1CCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021240	0	50	0.0	-71.07	386.71	3.93	-67.14
CC(CCNC(=O)C[N@@H+](C)C1CCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021240	1	50	0.0	-70.80	386.77	3.94	-66.86
CC(CCNC(=O)C(C)[NH+]1C(C)CCC1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021345	0	56	0.0	-67.74	410.25	4.45	-63.29
CC(CCNC(=O)CCN(C)C1=CC=[NH+]C=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021430	0	52	0.0	-73.31	415.28	3.63	-69.68
C#CC[N@H+]1CCC[C@H]1C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021444	1	49	0.0	-70.73	387.24	3.74	-66.99
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021444	1	49	0.0	-70.84	392.92	4.24	-66.60
CC(CCNC(=O)CCC1CCC[N@@H+]1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021455	0	53	0.0	-74.73	402.17	3.96	-70.77
CC(CCNC(=O)CCC1CCC[N@H+]1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021455	1	53	0.0	-80.47	407.98	4.45	-76.02
CC(CCNC(=O)C12CCC[NH+](CCC1)C2)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021472	0	54	0.0	-75.65	397.92	4.15	-71.50
CC(CCNC(=O)C1CCC2CCCC[N@@H+]21)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021480	0	54	0.0	-69.10	408.93	4.92	-64.18
CC(CCNC(=O)C1CCC2CCCC[N@H+]21)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021480	1	54	0.0	-68.60	408.91	4.90	-63.70
CC(CCNC(=O)C(C)(C)C[NH+]1CCOCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021492	0	57	0.0	-72.71	421.44	3.06	-69.65
CC[NH+](CC)CC1=CC=C(C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)O1	REAL300029021509	0	56	0.0	-83.67	441.05	5.14	-78.53
CC(CCNC(=O)CCCC[NH+]1CCCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021514	0	56	0.0	-77.70	431.88	5.28	-72.42
CC(CCNC(=O)C[N@H+](C)CC1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021517	1	53	0.0	-77.91	417.29	5.55	-72.36
CC(CCNC(=O)C[N@@H+](C)CC1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021517	1	53	0.0	-77.91	417.20	5.55	-72.36
CC(CCNC(=O)C1CC[NH+](C)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021535	0	50	0.0	-81.96	385.17	3.62	-78.34
CC(CCNC(=O)C1=NOC(C[NH+](C)C)=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021608	1	49	0.0	-83.21	399.67	2.99	-80.22
CC1=C(C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300029021610	0	48	0.0	-81.22	392.91	5.71	-75.51
CC(CCNC(=O)C1CCCC[N@@H+]1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021669	0	50	0.0	-71.73	373.29	3.37	-68.36
CC(CCNC(=O)C1CCCC[N@H+]1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021669	1	50	0.0	-71.81	373.22	3.37	-68.44
CC(C)C[N@@H+]1CCCC1C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021706	0	56	0.0	-73.57	414.45	5.28	-68.29
CC(C)C[N@H+]1CCCC1C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021706	1	56	0.0	-70.67	425.67	5.17	-65.50
CC(CCNC(=O)C1=CN2C=[NH+]C=C2C=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021895	0	45	0.0	-77.06	370.71	5.46	-71.60
CC1=[NH+]C=CN1CCCC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021911	1	51	0.0	-73.37	411.57	4.86	-68.51
CC(CCNC(=O)CCCC[NH+]1CCOCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021915	1	57	0.0	-80.95	438.85	3.55	-77.40
CC(CCNC(=O)C1=CC=C(C[NH+](C)C)C=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021921	0	53	0.0	-89.02	418.68	5.45	-83.57
CC(CCNC(=O)CC[NH+]1CCOCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021922	1	51	0.0	-78.75	395.85	1.96	-76.79
CC(CCNC(=O)C(C)(C1=CC=CC=C1)[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021944	0	56	0.0	-82.92	415.97	5.58	-77.34
CCC[NH+](CCC)CCCC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021952	0	61	0.0	-76.58	462.70	6.15	-70.43
CC[N@H+](C)C(C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300029021953	0	56	0.0	-70.79	434.49	6.08	-64.71
CC[N@@H+](C)C(C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300029021953	1	56	0.0	-71.73	434.17	6.09	-65.64
CC1=C[NH+]=CN1CC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021980	1	45	0.0	-72.40	369.26	4.25	-68.15
CC(CCNC(=O)CN1C=[NH+]C2=C1CCCC2)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021994	1	52	0.0	-71.88	412.17	6.03	-65.85
CC(CCNC(=O)C1(C[NH+](C)C)CCCCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029022042	0	59	0.0	-80.36	426.23	5.27	-75.09
CC(CCNC(=O)C1=CC=CC=C1CC[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029022043	0	56	0.0	-59.02	432.81	6.25	-52.77
CC(CCNC(=O)CC[N@H+](C)C1CCCCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029022050	0	59	0.0	-77.70	439.00	5.54	-72.16
CC(CCNC(=O)CC[N@@H+](C)C1CCCCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029022050	1	59	0.0	-77.35	438.96	5.54	-71.81
CC(CCNC(=O)C12CCC[NH+]1CCC2)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029022056	0	51	0.0	-78.58	385.26	3.96	-74.62
CC(CCNC(=O)C1CCCC([NH+](C)C)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029022100	0	56	0.0	-67.99	412.84	4.63	-63.36
CC(CCNC(=O)CC1CC[N@H+](C)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029022107	0	50	0.0	-79.54	386.90	3.55	-75.99
CC(CCNC(=O)CC1CC[N@@H+](C)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029022107	1	50	0.0	-78.81	387.11	3.55	-75.26
CC(CCNC(=O)C1=C[NH+]=CC=C1N(C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029022121	0	49	0.0	-86.37	391.27	2.76	-83.61
CCC(C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029022127	0	49	0.0	-69.05	371.04	2.99	-66.06
CC(CCNC(=O)CC1([NH+](C)C)CCCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029022152	0	56	0.0	-79.86	404.38	4.39	-75.47
CC(CCNC(=O)C1=CC2=C[NH+]=CN2C=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029022231	1	45	0.0	-83.84	371.02	5.47	-78.37
CC(CCNC(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029022280	1	48	0.0	-90.36	400.30	3.40	-86.96
CC(CCNC(=O)CCCC[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029022315	0	52	0.0	-79.44	405.95	4.09	-75.35
CC(C)C(C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029022340	0	52	0.0	-72.79	389.71	4.13	-68.66
CCC[N@H+](C)CCC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029022342	0	52	0.0	-77.14	402.14	3.92	-73.22
CCC[N@@H+](C)CCC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029022342	1	52	0.0	-77.27	402.18	3.90	-73.37
CCC[N@H+](C)CC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029022349	0	49	0.0	-73.26	379.81	3.36	-69.90
CCC[N@@H+](C)CC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029022349	1	49	0.0	-73.00	379.77	3.36	-69.64
CC(CCNC(=O)C12CC[N@H+](C1)CCC2)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029022382	0	51	0.0	-84.52	382.55	3.20	-81.32
CC(CCNC(=O)C12CC[N@@H+](C1)CCC2)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029022382	1	51	0.0	-82.42	382.99	3.21	-79.21
CC(CCNC(=O)[C@H]1CCC[N@@H+]1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029022458	0	47	0.0	-70.69	366.86	3.02	-67.67
CC(CCNC(=O)[C@H]1CCC[N@H+]1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029022458	1	47	0.0	-74.54	360.51	2.49	-72.05
CC(CCNC(=O)C1CCC2CC(C)C[N@@H+]2C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029022488	0	57	0.0	-64.57	422.79	5.54	-59.03
CC(CCNC(=O)C1CCC2CC(C)C[N@H+]2C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029022488	1	57	0.0	-66.72	423.30	5.51	-61.21
CCCCCC[N@H+](C)CC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029022548	0	58	0.0	-74.49	444.31	5.70	-68.79
CCCCCC[N@@H+](C)CC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029022548	1	58	0.0	-74.22	444.28	5.72	-68.50
CC[NH+](CC)C(C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300029022560	0	58	0.0	-66.98	421.17	5.32	-61.66
CC[NH+](CC)CC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029022573	0	49	0.0	-71.61	375.91	3.29	-68.32
CCC[N@@H+]1CCCC(C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029022608	0	56	0.0	-66.10	418.03	5.16	-60.94
CCC[N@H+]1CCCC(C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029022608	1	56	0.0	-74.30	424.31	4.98	-69.32
CC(CCNC(=O)C1CCCC[N@@H+]1C1CCCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029022621	0	60	0.0	-68.37	437.47	5.73	-62.64
CC(CCNC(=O)C1CCCC[N@H+]1C1CCCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029022621	1	60	0.0	-68.23	437.61	5.77	-62.46
CC(C)[N@@H+]1CCOC(C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029022634	0	54	0.0	-74.26	405.91	3.43	-70.83
CC(C)[N@H+]1CCOC(C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029022634	1	54	0.0	-85.49	413.00	3.59	-81.90
CC(CCNC(=O)C[NH+]1CCC(C)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029022678	0	53	0.0	-74.19	403.60	4.45	-69.74
CC(CCNC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029022712	1	48	0.0	-83.19	399.84	3.40	-79.79
CC(CCNC(=O)COC1CC[NH+](C)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029022722	0	54	0.0	-84.29	420.56	4.05	-80.24
CC(CCNC(=O)C1(C[NH+](C)C)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029022742	0	50	0.0	-75.38	392.41	3.74	-71.64
CC1=[NH+]C=C2CCC(C(=O)NCCC(C)N(C)C(=O)C3=CC(=O)[N-]O3)CN21	REAL300029022743	1	52	0.0	-70.55	408.21	4.70	-65.85
CC(C)[NH+]1CCC(C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029022855	0	56	0.0	-78.83	415.82	4.57	-74.26
CC(CCNC(=O)C1CC[NH+](C)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029022887	0	50	0.0	-81.96	385.17	3.62	-78.34
CC(C)[C@H](C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029022910	0	52	0.0	-71.00	389.72	4.13	-66.87
CCC(C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300029022950	0	55	0.0	-66.21	403.95	4.41	-61.80
CC[N@H+](C)CCC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023054	0	49	0.0	-76.33	380.64	3.16	-73.17
CC[N@@H+](C)CCC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023054	1	49	0.0	-76.45	380.68	3.16	-73.29
CC(CCNC(=O)C[N@@H+]1CCCC1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023143	0	50	0.0	-70.69	386.24	3.74	-66.95
CC(CCNC(=O)C[N@H+]1CCCC1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023143	1	50	0.0	-69.46	379.78	3.36	-66.10
CC(CCNC(=O)C[N@@H+]1CCC(C)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023146	0	50	0.0	-72.49	386.45	3.72	-68.77
CC(CCNC(=O)C[N@H+]1CCC(C)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023146	1	50	0.0	-72.77	386.95	3.73	-69.04
CC(CCNC(=O)C1(F)CC[N@@H+](C(C)(C)C)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023147	0	56	0.0	-69.36	422.61	4.25	-65.11
CC(CCNC(=O)C1(F)CC[N@H+](C(C)(C)C)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023147	1	56	0.0	-71.29	422.63	4.25	-67.04
CC1=[NH+]C=C2CC(C(=O)NCCC(C)N(C)C(=O)C3=CC(=O)[N-]O3)CCN21	REAL300029023149	1	52	0.0	-76.15	409.81	4.71	-71.44
CC(CCNC(=O)C1=CC=C(CC[NH+](C)C)C=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023151	0	56	0.0	-90.00	441.22	6.28	-83.72
CC(CCNC(=O)C[N@@H+]1CCC(C)(C)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023153	0	53	0.0	-72.99	406.64	4.22	-68.77
CC(CCNC(=O)C[N@H+]1CCC(C)(C)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023153	1	53	0.0	-72.61	406.63	4.22	-68.39
CC(CCNC(=O)C[N@H+](C)CC(C)(C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023154	0	55	0.0	-72.77	410.44	4.50	-68.27
CC(CCNC(=O)C[N@@H+](C)CC(C)(C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023154	1	55	0.0	-73.32	407.79	4.36	-68.96
CC(CCNC(=O)C[N@H+](C)CCC1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023155	0	56	0.0	-76.12	439.68	6.40	-69.72
CC(CCNC(=O)C[N@@H+](C)CCC1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023155	1	56	0.0	-76.14	439.68	6.40	-69.74
CC[C@@H](C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029023167	0	49	0.0	-70.81	374.79	3.57	-67.24
CC(CCNC(=O)COCC(C)[NH+]1CCCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023175	0	57	0.0	-74.55	439.16	4.71	-69.84
CC(CCNC(=O)C1CC[NH+](CC2CC2)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023292	0	57	0.0	-81.65	434.34	5.83	-75.82
CC(CCNC(=O)CC1(O)CC[NH+](C)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023464	0	54	0.0	-73.21	408.17	2.36	-70.85
COCC[N@@H+]1CCCC1CC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023473	0	57	0.0	-75.70	430.23	3.30	-72.40
COCC[N@H+]1CCCC1CC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023473	1	57	0.0	-72.68	438.98	3.40	-69.28
CC(CCNC(=O)C[NH+]1CCC(CO)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023486	0	54	0.0	-74.61	414.43	1.13	-73.48
CC(CCNC(=O)C[NH+]1CCCCCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023490	0	53	0.0	-72.50	391.62	4.02	-68.48
CC(CCNC(=O)C[N+]1=CN(C)C=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023495	0	45	0.0	-71.73	371.78	5.47	-66.26
CC(CCNC(=O)C1CCC[N@H+](C)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023508	0	50	0.0	-75.90	385.63	3.59	-72.31
CC(CCNC(=O)C1CCC[N@@H+](C)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023508	1	50	0.0	-75.38	385.66	3.60	-71.78
CC(CCNC(=O)C1CCC[N@@H+]1C1CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023513	0	51	0.0	-73.70	393.17	3.96	-69.74
CC(CCNC(=O)C1CCC[N@H+]1C1CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023513	1	51	0.0	-73.54	391.04	3.81	-69.73
CC(CCNC(=O)C(C)[NH+]1CCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023554	1	47	0.0	-71.41	370.02	2.89	-68.52
CCC(CC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029023566	0	55	0.0	-68.37	415.30	4.56	-63.81
CC(CCNC(=O)C(C)(C)C[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023575	0	52	0.0	-67.23	387.40	3.66	-63.57
CC(CCNC(=O)C12CC(C1)C[N@@H+]2C1CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023599	0	52	0.0	-76.66	397.51	4.58	-72.08
CC(CCNC(=O)C12CC(C1)C[N@H+]2C1CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023599	1	52	0.0	-78.00	398.46	5.28	-72.72
CC(CCNC(=O)C[NH+]1CCC(O)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023627	1	51	0.0	-78.37	393.36	0.48	-77.89
CC(CCNC(=O)C[N@H+](C)C1CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023629	0	47	0.0	-70.52	369.94	3.37	-67.15
CC(CCNC(=O)C[N@@H+](C)C1CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023629	1	47	0.0	-70.71	369.95	3.37	-67.34
CC(CCNC(=O)C(C)N1CC[NH+](C)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023630	1	55	0.0	-74.54	413.71	1.81	-72.73
CC(CCNC(=O)CC1C[NH+](C)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023666	0	47	0.0	-76.40	372.04	2.78	-73.62
CC(CCNC(=O)C1CC[N@@H+]1C1CCCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023670	0	54	0.0	-74.54	412.98	4.92	-69.62
CC(CCNC(=O)C1CC[N@H+]1C1CCCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023670	1	54	0.0	-74.39	411.74	4.76	-69.63
CC(CCNC(=O)C1CC[N@@H+]1C(C)(C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023679	0	53	0.0	-69.81	385.87	2.89	-66.92
CC(CCNC(=O)C1CC[N@H+]1C(C)(C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023679	1	53	0.0	-72.93	384.63	3.57	-69.36
CC(CCNC(=O)C1CCN(C2=CC=[NH+]C=C2)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023692	0	53	0.0	-71.85	416.55	2.48	-69.37
CC(CCNC(=O)[C@H](C)[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023696	0	46	0.0	-71.04	358.01	2.38	-68.66
CCC1CCC[N@H+](CC(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029023755	0	56	0.0	-73.67	422.06	5.09	-68.58
CCC1CCC[N@@H+](CC(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029023755	1	56	0.0	-73.71	422.06	5.09	-68.62
CC(CCNC(=O)C1=CC=C(C[NH+](C)C)N1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023765	0	51	0.0	-91.56	407.13	3.39	-88.17
CC(CCNC(=O)CC1CC2CCC(C1)[NH+]2C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023782	0	57	0.0	-79.11	405.81	4.37	-74.74
CC(CCNC(=O)CC(C1=CC=CC=C1)[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023789	0	56	0.0	-84.13	430.26	5.99	-78.14
CC(CCNC(=O)CN1C=CSC1=[NH2+])N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023837	0	43	0.0	-70.00	367.62	2.14	-67.86
CC(CCNC(=O)CC[N@H+](C)CCO)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023850	0	50	0.0	-76.47	391.03	-0.06	-76.53
CC(CCNC(=O)CC[N@@H+](C)CCO)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023850	1	50	0.0	-75.20	390.83	-0.04	-75.24
CC(CCNC(=O)[C@H](C)[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023851	0	46	0.0	-71.04	358.01	2.38	-68.66
CC(CCNC(=O)[C@H]1CCCC[N@@H+]1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023856	0	50	0.0	-68.83	382.78	3.56	-65.27
CC(CCNC(=O)[C@H]1CCCC[N@H+]1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023856	1	50	0.0	-71.59	373.06	3.38	-68.21
CC(CCNC(=O)C1C[N@@H+]2CCN1CC2C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023867	0	53	0.0	-84.31	392.09	0.85	-83.46
CC(CCNC(=O)C1C[N@H+]2CCN1CC2C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023867	1	53	0.0	-83.09	393.28	0.96	-82.13
COC1C[N@@H+]2CCCC2(C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029023921	0	55	0.0	-71.96	416.51	2.60	-69.36
COC1C[N@H+]2CCCC2(C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029023921	1	55	0.0	-78.33	418.47	2.94	-75.39
CC(CCNC(=O)CC1=CC2=C[NH+]=CN2C=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023939	0	48	0.0	-73.58	394.99	6.14	-67.44
CC(CCNC(=O)C[N@H+](C)C1CCSC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023976	0	51	0.0	-76.67	399.85	4.20	-72.47
CC(CCNC(=O)C[N@@H+](C)C1CCSC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023976	1	51	0.0	-78.68	400.07	4.18	-74.50
CC(CCNC(=O)C[NH+]1CCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023977	1	44	0.0	-73.82	350.70	2.38	-71.44
CC(CCNC(=O)C1=CC=NC(C[NH+](C)C)=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024021	1	52	0.0	-76.02	414.68	3.61	-72.41
CC(CCNC(=O)C=C1CC[N@H+](C)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024023	0	48	0.0	-79.64	379.43	3.49	-76.15
CC(CCNC(=O)C=C1CC[N@@H+](C)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024023	1	48	0.0	-79.33	378.44	3.51	-75.82
CC(CCNC(=O)C1C[NH+](C2CCCCC2)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024054	0	57	0.0	-78.53	432.52	5.31	-73.22
CC(CCNC(=O)COCC[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024075	0	50	0.0	-75.84	396.30	3.01	-72.83
CCCCC[N@H+](C)CCC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024083	0	58	0.0	-78.08	445.17	5.48	-72.60
CCCCC[N@@H+](C)CCC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024083	1	58	0.0	-78.05	445.17	5.46	-72.59
CC(CCNC(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024095	0	54	0.0	-76.40	419.18	3.90	-72.50
C=CCC(C)(C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029024107	0	53	0.0	-80.74	393.86	4.86	-75.88
CC(CCNC(=O)C(O)CC[S+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024112	0	49	0.0	-82.87	405.43	1.61	-81.26
CC(CCNC(=O)C1(C)CC(O)C[N@@H+]1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024155	0	51	0.0	-82.43	390.34	0.12	-82.31
CC(CCNC(=O)C1CN(C)CC[N@H+](C)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024170	0	55	0.0	-71.98	410.68	2.12	-69.86
CC(CCNC(=O)C1CN(C)CC[N@@H+](C)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024170	1	55	0.0	-71.98	410.68	2.12	-69.86
CC(CCNC(=O)C(C)[N@@H+]1CCCC(O)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024171	0	54	0.0	-69.42	411.66	0.86	-68.56
CC(CCNC(=O)CC1(O)CCC[N@H+](C)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024200	0	54	0.0	-68.16	401.04	2.10	-66.06
CC(CCNC(=O)CC1(O)CCC[N@@H+](C)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024200	1	54	0.0	-68.16	401.04	2.10	-66.06
CC(CCNC(=O)CN1CC(C)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024204	0	47	0.0	-73.60	371.82	3.05	-70.55
CC(CCNC(=O)C[NH+]1CC(C)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024204	1	47	0.0	-73.60	371.82	3.05	-70.55
CC(CCNC(=O)CN(C)CCO)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024236	0	47	0.0	-73.82	368.63	-0.61	-74.43
CC(CCNC(=O)C[N@H+](C)CCO)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024236	1	47	0.0	-74.33	368.32	-0.59	-74.92
CC(CCNC(=O)C[N@@H+](C)CCO)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024236	1	47	0.0	-74.33	368.32	-0.59	-74.92
CC(CCNC(=O)C=C1CC2CCC(C1)[NH+]2C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024269	0	55	0.0	-74.84	413.89	4.92	-69.92
CC(CCNC(=O)C1C[N@@H+]2CCN1CCC2)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024274	0	53	0.0	-86.64	387.35	1.75	-84.89
CC(CCNC(=O)C1C[N@H+]2CCN1CCC2)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024274	1	53	0.0	-86.64	387.35	1.75	-84.89
CC[N@@H+]1CCCC(C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029024285	0	53	0.0	-73.67	402.79	4.24	-69.43
CC[N@H+]1CCCC(C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029024285	1	53	0.0	-73.67	402.79	4.24	-69.43
CC(CC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029024287	0	52	0.0	-82.41	397.48	3.95	-78.46
CC[N@H+](C)CC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024305	0	46	0.0	-72.87	358.28	2.63	-70.24
CC(CCNC(=O)C12CCC[N@@H+]1CCCC2)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024337	0	54	0.0	-67.81	394.88	4.56	-63.25
CC(CCNC(=O)C12CCC[N@H+]1CCCC2)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024337	1	54	0.0	-67.81	394.88	4.56	-63.25
CC(CCNC(=O)C12CCC[N@@H+]1CC=CC2)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024347	0	52	0.0	-79.24	386.57	4.87	-74.37
CC(CCNC(=O)C12CCC[N@H+]1CC=CC2)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024347	1	52	0.0	-79.24	386.57	4.87	-74.37
CC[N@H+](CC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029024380	0	50	0.0	-70.82	386.85	3.99	-66.83
CC[NH+](CC)CCC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024405	0	52	0.0	-75.60	398.08	3.86	-71.74
CC(CCNC(=O)CN1CC(C)(C)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024446	0	50	0.0	-73.71	391.38	3.63	-70.08
CC(CCNC(=O)C[NH+]1CC(C)(C)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024446	1	50	0.0	-73.71	391.38	3.63	-70.08
CC(CCNC(=O)CCCC[NH+]1CCCCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024452	0	59	0.0	-77.80	447.09	5.95	-71.85
CC(CCNC(=O)C[N@@H+]1CCC(C)(O)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024490	0	51	0.0	-73.31	397.47	0.36	-72.95
CC(CCNC(=O)C=CC[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024503	0	47	0.0	-80.27	376.55	3.17	-77.10
CC(CCNC(=O)C(C)OCC[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024534	0	53	0.0	-76.59	416.25	3.70	-72.89
CC(CCNC(=O)CCOCC[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024547	0	53	0.0	-76.81	417.25	2.75	-74.06
COCCN(C)CC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024548	0	50	0.0	-74.10	390.57	1.81	-72.29
COCC[N@H+](C)CC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024548	1	50	0.0	-74.08	390.88	1.79	-72.29
COCC[N@@H+](C)CC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024548	1	50	0.0	-74.08	390.88	1.79	-72.29
COCCCC[N@H+](C)CCC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024586	0	59	0.0	-81.15	457.35	3.75	-77.40
COCCCC[N@@H+](C)CCC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024586	1	59	0.0	-81.15	457.35	3.75	-77.40
CC(CCNC(=O)C1([NH+](C)C)CCCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024614	0	53	0.0	-82.83	392.14	4.10	-78.73
CC(CCNC(=O)CCC(C)[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024617	0	52	0.0	-75.44	397.66	3.67	-71.77
CCN1CCC1C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024628	0	47	0.0	-71.44	366.11	2.74	-68.70
CC[N@@H+]1CCC1C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024628	1	47	0.0	-73.32	372.71	2.99	-70.33
CC[N@H+]1CCC1C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024628	1	47	0.0	-73.32	372.71	2.99	-70.33
CC(C)[N@@H+]1CCCC(C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029024644	0	56	0.0	-66.54	413.17	4.94	-61.60
CC(C)[N@H+]1CCCC(C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029024644	1	56	0.0	-66.54	413.17	4.94	-61.60
CC(CCNC(=O)C1CCN(C2=NC=CN2C)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024645	0	54	0.0	-67.39	425.27	4.57	-62.82
CC(CCNC(=O)C1CCN(C2=[NH+]C=CN2C)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024645	1	54	0.0	-67.39	425.27	4.57	-62.82
CC(CCNC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024652	0	56	0.0	-73.84	434.57	5.99	-67.85
CC(CCNC(=O)C[N@@H+]1CCCC1CO)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024661	0	51	0.0	-72.52	395.90	0.51	-72.01
CC(CCNC(=O)C1CC2CCCC[N@@H+]2C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024694	0	54	0.0	-76.09	408.07	4.71	-71.38
CC(CCNC(=O)C1CC2CCCC[N@H+]2C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024694	1	54	0.0	-76.09	408.07	4.71	-71.38
CC(CCNC(=O)C1(C)CC[NH+](C)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024705	0	53	0.0	-71.43	397.86	4.03	-67.40
C=CCC(C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029024755	0	50	0.0	-68.50	383.93	3.42	-65.08
CC(CCNC(=O)C12CCC([NH+](C)C)(CC1)CC2)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024768	0	60	0.0	-85.73	430.18	5.21	-80.52
CC(CCNC(=O)C1CC(C)(C)C[N@@H+]1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024776	0	53	0.0	-68.67	406.54	4.08	-64.59
CC(CCNC(=O)C1CC(C)(C)C[N@H+]1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024776	1	53	0.0	-68.67	406.54	4.08	-64.59
CC(CCNC(=O)CCCCC[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024781	0	55	0.0	-78.90	427.45	4.87	-74.03
CC(CCNC(=O)C1CCC1[N@@H+]1CCOC(C)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024814	0	58	0.0	-73.99	436.81	4.33	-69.66
CC(CCNC(=O)C1C[N@@H+]2CCN1C(C)C2)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024842	0	53	0.0	-84.71	393.63	0.96	-83.75
CCCC(C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029024844	0	52	0.0	-70.11	392.93	3.72	-66.39
CC(CCNC(=O)C(C)(C)[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024850	0	49	0.0	-79.71	368.28	2.98	-76.73
CC[NH+](CC)CCSCC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024899	0	56	0.0	-80.87	442.73	5.24	-75.63
CC(CCNC(=O)C1CCCC[N@@H+]1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024911	0	50	0.0	-71.73	373.29	3.37	-68.36
CC(CCNC(=O)C1CCCC[N@H+]1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024911	1	50	0.0	-71.81	373.22	3.37	-68.44
CC(CCNC(=O)CC1=CC[N@H+](C)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024973	0	51	0.0	-72.95	400.18	4.30	-68.65
CC(CCNC(=O)CC1=CC[N@@H+](C)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024973	1	51	0.0	-70.31	400.17	4.30	-66.01
CC(CCNC(=O)CC1([NH+]2CCCC2)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024986	0	54	0.0	-72.23	405.84	4.71	-67.52
CC(CCNC(=O)C1(C[NH+]2CCCC2)CCCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025013	0	60	0.0	-76.62	439.42	6.27	-70.35
CC(CCNC(=O)C(C)(C)C1CCC[N@H+](C)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025053	0	59	0.0	-78.34	430.52	5.07	-73.27
CC(CCNC(=O)C(C)(C)C1CCC[N@@H+](C)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025053	1	59	0.0	-78.34	430.52	5.07	-73.27
CC(CCNC(=O)C1=CC=C(CN(C)C)O1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025058	0	50	0.0	-86.59	404.03	3.68	-82.91
CC(CCNC(=O)C1=CC=C(C[NH+](C)C)O1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025058	1	50	0.0	-86.59	404.03	3.68	-82.91
CC(CCNC(=O)C=CC[NH+]1CCCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025085	0	51	0.0	-79.31	402.89	4.37	-74.94
CC(CCNC(=O)C1CC[NH+](C2CC2)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025117	0	54	0.0	-78.40	409.99	4.83	-73.57
CC(CCNC(=O)C1C[N@H+](C)CC1C(F)(F)F)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025142	0	50	0.0	-80.28	394.98	3.67	-76.61
CC(CCNC(=O)C1C[N@@H+](C)CC1C(F)(F)F)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025142	1	50	0.0	-80.28	394.98	3.67	-76.61
CC(CCNC(=O)CC[NH+]1CCCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025148	0	50	0.0	-75.73	388.88	3.69	-72.04
CC(CCNC(=O)C1CC(=O)N(C2CN(C)C2)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025159	0	55	0.0	-77.68	429.19	2.67	-75.01
CC(CCNC(=O)C1CC(=O)N(C2C[NH+](C)C2)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025159	1	55	0.0	-77.68	429.19	2.67	-75.01
CC(CCNC(=O)C1C[NH+]2CCN1CC2)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025210	0	50	0.0	-85.29	377.33	0.44	-84.85
CC(CCNC(=O)C12CC(C1)C[N@@H+]2C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025221	0	48	0.0	-79.44	372.59	3.15	-76.29
CC1=C(C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)C=NN1CC[NH+](C)C	REAL300029025237	0	56	0.0	-84.90	440.68	3.93	-80.97
CC(CCNC(=O)C[N@@H+]1CC2CCC1C2)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025240	0	51	0.0	-70.24	385.03	3.88	-66.36
CC(CCNC(=O)C[N@H+]1CC2CCC1C2)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025240	1	51	0.0	-70.24	385.03	3.88	-66.36
CC(C)[NH+]1CCC(CC(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029025257	0	59	0.0	-72.62	434.45	5.27	-67.35
CC(CCNC(=O)C=C1C[NH+]2CCC1CC2)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025312	0	52	0.0	-68.26	396.68	4.35	-63.91
CC(CCNC(=O)CN1CC2C=CC1C2)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025325	0	49	0.0	-71.31	380.18	3.93	-67.38
CC(CCNC(=O)C[N@@H+]1CC2C=CC1C2)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025325	1	49	0.0	-69.09	380.16	3.84	-65.25
CC(CCNC(=O)C[N@H+]1CC2C=CC1C2)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025325	1	49	0.0	-69.09	380.16	3.84	-65.25
CC(CCNC(=O)C(C[NH+](C)C)C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025368	0	56	0.0	-84.82	436.77	6.08	-78.74
CC(C[NH+](C)C)C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025402	0	49	0.0	-68.46	378.51	3.32	-65.14
CC(CCNC(=O)CC1CCCC[N@@H+]1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025514	0	53	0.0	-79.03	399.36	4.18	-74.85
CC(CCNC(=O)CC1CCCC[N@H+]1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025514	1	53	0.0	-79.03	399.36	4.18	-74.85
CC1=C2C=C(C(=O)NCCC(C)N(C)C(=O)C3=CC(=O)[N-]O3)C=CN2C=N1	REAL300029025537	0	48	0.0	-82.20	392.90	6.04	-76.16
CC1=C2C=C(C(=O)NCCC(C)N(C)C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029025537	1	48	0.0	-82.20	392.90	6.04	-76.16
CC(CCNC(=O)CN1CCC1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025542	0	47	0.0	-72.22	371.90	3.04	-69.18
CC(CCNC(=O)C[N@@H+]1CCC1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025542	1	47	0.0	-70.91	366.85	2.79	-68.12
CC(CCNC(=O)C[N@H+]1CCC1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025542	1	47	0.0	-70.91	366.85	2.79	-68.12
CC(CCNC(=O)CC(O)C[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025547	0	50	0.0	-81.68	393.07	1.00	-80.68
CC(CCNC(=O)C1CN(C)CC(C)O1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025588	0	51	0.0	-80.82	392.01	2.97	-77.85
CC(CCNC(=O)C1C[N@H+](C)CC(C)O1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025588	1	51	0.0	-76.39	392.10	3.00	-73.39
CC(CCNC(=O)C1C[N@@H+](C)CC(C)O1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025588	1	51	0.0	-76.39	392.10	3.00	-73.39
CC(CCNC(=O)CC[NH+]1CCC(O)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025602	0	54	0.0	-79.06	415.18	1.01	-78.05
CCC[N@@H+]1CCCCC1C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025605	0	56	0.0	-70.23	421.61	4.96	-65.27
CCC[N@H+]1CCCCC1C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025605	1	56	0.0	-70.23	421.61	4.96	-65.27
CC[NH+]1CCN(CCC(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029025609	0	58	0.0	-76.78	439.19	2.61	-74.17
CCN1CC[NH+](CCC(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029025609	1	58	0.0	-76.78	439.19	2.61	-74.17
CC(CCNC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025612	0	57	0.0	-67.44	415.28	5.45	-61.99
CC(CCNC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025612	1	57	0.0	-67.44	415.28	5.45	-61.99
CC(C)C[NH+]1CCC(C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029025666	0	59	0.0	-80.92	441.61	5.70	-75.22
CC(CCNC(=O)CN1CCC([NH+](C)C)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025699	0	58	0.0	-75.95	433.94	2.66	-73.29
CC(CCNC(=O)[C@H]1C[C@H]([NH+](C)C)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025724	0	50	0.0	-75.16	390.10	3.69	-71.47
CC(CC[NH+](C)C)C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025734	0	52	0.0	-77.15	400.62	3.86	-73.29
CC(CCNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025772	0	54	0.0	-69.28	412.06	1.18	-68.10
C#CCN1CCCCC1C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025782	0	52	0.0	-71.16	398.64	4.59	-66.57
C#CC[N@H+]1CCCCC1C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025782	1	52	0.0	-71.42	398.42	4.60	-66.82
C#CC[N@@H+]1CCCCC1C(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025782	1	52	0.0	-71.42	398.42	4.60	-66.82
CC(CCNC(=O)CN1CCN(C)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025790	0	52	0.0	-74.91	400.15	1.47	-73.44
CC(CCNC(=O)CN1CC[NH+](C)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025790	1	52	0.0	-74.91	400.15	1.47	-73.44
CC(CCNC(=O)CSC(N)=[NH2+])N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025836	0	41	0.0	-77.81	348.50	-1.10	-78.91
CC[N@@H+]1CCOCC1CC(=O)NCCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025891	0	54	0.0	-79.35	408.30	2.44	-76.91
CC(CCNC(=O)C1(CC[NH+](C)C)CCCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025913	0	59	0.0	-79.86	441.81	5.54	-74.32
CC(CCNC(=O)CC[NH+]1C(C)CCCC1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025915	0	59	0.0	-73.47	431.19	5.04	-68.43
CC(CCNC(=O)C1CCC([NH+](C)C)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025918	0	56	0.0	-83.61	419.37	4.81	-78.80
CC(CCNC(=O)C1(CC[NH+](C)C)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025919	0	53	0.0	-79.26	415.37	4.49	-74.77
CC(CCNC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025923	0	56	0.0	-66.99	413.36	4.66	-62.33
CC(CCNC(=O)CC1CC=CC[N@@H+]1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025924	0	51	0.0	-79.86	391.73	4.01	-75.85
CC(CCNC(=O)CC1CC=CC[N@H+]1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025924	1	51	0.0	-79.86	391.73	4.01	-75.85
CC(CCNC(=O)[C@@H](C)OCC[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025961	0	53	0.0	-73.50	416.11	3.74	-69.76
CC(CCNC(=O)C1CC2CCC(C1)[NH+]2C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029026005	0	54	0.0	-75.36	383.21	4.49	-70.87
CC(CCNC(=O)C1(C2(O)CC[NH+](C)CC2)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029026133	0	58	0.0	-67.79	431.66	2.89	-64.90
CC(CCNC(=O)C1(CC[NH+]2CCCCC2)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029026162	0	60	0.0	-77.46	457.01	6.37	-71.09
CC(CCNC(=O)C(C)[NH+]1CCSCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029026188	1	51	0.0	-73.51	395.95	3.81	-69.70
CCC1C[NH+](CC(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029026191	1	50	0.0	-74.21	393.20	3.81	-70.40
CC(CCNC(=O)C1C[NH+](C2CCOCC2)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029026193	0	55	0.0	-80.54	423.78	2.91	-77.63
CC(CCNC(=O)C1([NH+]2CCCC2)CCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029026195	0	54	0.0	-77.89	400.56	4.67	-73.22
CC(CCNC(=O)[C@@H]1CCC[N@H+]1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029026207	1	47	0.0	-70.32	367.34	3.05	-67.27
CC(CCNC(=O)CC[N@H+]1CCC(F)C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029026217	1	50	0.0	-77.75	395.68	3.78	-73.97
COC1C[N@@H+](C)C(C)(C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029026228	1	54	0.0	-78.19	411.00	2.41	-75.78
CC(CCNC(=O)CC[NH+]1CCCCCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029026242	0	56	0.0	-77.50	414.61	4.58	-72.92
CC(CCNC(=O)C[NH+]1CCCCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029026246	0	50	0.0	-73.39	383.00	3.86	-69.53
CC(CCNC(=O)C1CC[N@H+](C)C1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029026256	0	50	0.0	-74.79	381.79	3.20	-71.59
CC(CCNC(=O)C1CC[N@@H+](C)C1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029026256	1	50	0.0	-73.28	381.75	3.15	-70.13
CC(CCNC(=O)CCC1CCCC[N@@H+]1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029026259	0	56	0.0	-74.54	422.18	4.89	-69.65
CC(CCNC(=O)CCC1CCCC[N@H+]1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029026259	1	56	0.0	-73.75	422.34	4.90	-68.85
CC(CCNC(=O)C1CC[N@@H+]2CCOCC12)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029026304	0	52	0.0	-71.89	395.96	2.27	-69.62
CC(CCNC(=O)C1CC[N@H+]2CCOCC12)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029026304	1	52	0.0	-72.41	395.22	2.53	-69.88
CC1=[NH+]C=C2C=CC(C(=O)NCCC(C)N(C)C(=O)C3=CC(=O)[N-]O3)=CN21	REAL300029026313	0	48	0.0	-73.93	392.13	5.23	-68.70
CC(CCNC(=O)CC1COCCN1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029026336	0	51	0.0	-66.74	383.70	1.64	-65.10
CC(CCNC(=O)CC1COCC[N@@H+]1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029026336	1	51	0.0	-69.48	384.15	1.64	-67.84
CC(CCNC(=O)CC1COCC[N@H+]1C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029026336	1	51	0.0	-66.74	383.70	1.64	-65.10
CC1=C(C)[NH+]=C(CCC(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)N1	REAL300029026350	1	51	0.0	-70.66	410.84	3.24	-67.42
CC(CCNC(=O)C1=CC=CC(CC[NH+](C)C)=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029026363	0	56	0.0	-81.07	441.23	6.27	-74.80
CC(CCNC(=O)C1CCN1CC1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029026368	0	54	0.0	-71.56	425.98	5.74	-65.82
CC(CCNC(=O)C1CC[N@@H+]1CC1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029026368	1	54	0.0	-71.54	424.91	5.63	-65.91
CC(CCNC(=O)C1CC[N@H+]1CC1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029026368	1	54	0.0	-71.56	425.98	5.74	-65.82
CC(C)C[N@@H+]1CCCC(C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029026372	0	59	0.0	-73.93	441.75	5.66	-68.27
CC(C)C[N@H+]1CCCC(C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029026372	1	59	0.0	-67.72	435.46	5.85	-61.87
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CCC[N@@H+]1C	REAL300029026533	0	47	0.0	-62.97	366.02	2.89	-60.08
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CCC[N@H+]1C	REAL300029026533	1	47	0.0	-62.46	368.15	2.88	-59.58
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CN(C)CCO1	REAL300029026558	0	48	0.0	-74.59	368.47	2.10	-72.49
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1C[N@H+](C)CCO1	REAL300029026558	1	48	0.0	-75.58	367.63	2.03	-73.55
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1C[N@@H+](C)CCO1	REAL300029026558	1	48	0.0	-74.59	368.47	2.10	-72.49
CC1=[NH+]C=CN1CCCC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029026728	1	51	0.0	-66.35	414.18	4.98	-61.37
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CCCC[NH+]1CCOCC1	REAL300029026732	1	57	0.0	-72.33	441.48	3.66	-68.67
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300029026736	0	53	0.0	-79.47	417.35	5.15	-74.32
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC[NH+]1CCOCC1	REAL300029026737	1	51	0.0	-71.01	398.48	2.08	-68.93
CCC[NH+](CCC)CCCC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029026759	0	61	0.0	-68.50	465.77	6.28	-62.22
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300029026791	1	45	0.0	-73.06	378.70	5.45	-67.61
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CCCC([NH+](C)C)C1	REAL300029026870	0	56	0.0	-65.93	419.71	4.63	-61.30
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC1CC[N@H+](C)C1	REAL300029026877	0	50	0.0	-69.00	389.66	3.66	-65.34
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC1CC[N@@H+](C)C1	REAL300029026877	1	50	0.0	-71.23	389.65	3.66	-67.57
CCC(C(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029026894	0	49	0.0	-65.91	372.93	3.12	-62.79
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300029026904	1	48	0.0	-80.83	400.22	3.82	-77.01
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CCC2CC(C)C[N@@H+]2C1	REAL300029026952	0	57	0.0	-59.48	418.42	5.17	-54.31
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CCC2CC(C)C[N@H+]2C1	REAL300029026952	1	57	0.0	-61.71	416.33	5.21	-56.50
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CCCC[NH+](C)C	REAL300029026986	0	52	0.0	-70.86	408.58	4.20	-66.66
CCC[N@H+](C)CCC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029027009	0	52	0.0	-68.74	404.81	4.03	-64.71
CCC[N@@H+](C)CCC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029027009	1	52	0.0	-69.13	404.81	4.03	-65.10
CCC[N@H+](C)CC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029027014	0	49	0.0	-65.56	382.44	3.44	-62.12
CCC[N@@H+](C)CC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029027014	1	49	0.0	-65.58	382.44	3.44	-62.14
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C12CC[N@H+](C1)CCC2	REAL300029027039	0	51	0.0	-68.75	375.53	2.88	-65.87
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C12CC[N@@H+](C1)CCC2	REAL300029027039	1	51	0.0	-74.12	374.40	2.84	-71.28
CCCCCC[N@H+](C)CC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029027083	0	58	0.0	-66.70	446.94	5.78	-60.92
CCCCCC[N@@H+](C)CC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029027083	1	58	0.0	-66.93	446.94	5.79	-61.14
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[NH+]1CCC(C)CC1	REAL300029027136	0	53	0.0	-66.01	406.28	4.51	-61.50
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300029027164	1	48	0.0	-76.31	397.52	3.11	-73.20
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)COC1CC[NH+](C)CC1	REAL300029027172	0	54	0.0	-76.13	423.17	4.18	-71.95
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC2CCCC[N@@H+]2C1	REAL300029027234	0	54	0.0	-64.19	409.45	4.70	-59.49
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC2CCCC[N@H+]2C1	REAL300029027234	1	54	0.0	-63.66	407.50	4.66	-59.00
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1(C[NH+](C)C)CC1	REAL300029027253	0	50	0.0	-72.51	390.76	3.58	-68.93
CC1=[NH+]C=C2CCC(C(=O)N(C)C(C)CCNC(=O)C3=CC(=O)[N-]O3)CN21	REAL300029027254	1	52	0.0	-61.15	406.12	4.38	-56.77
CC(C)[NH+]1CCC(C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029027265	0	56	0.0	-69.30	413.36	4.31	-64.99
CC[N@H+](C)CCC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029027300	0	49	0.0	-68.21	383.31	3.28	-64.93
CC[N@@H+](C)CCC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029027300	1	49	0.0	-68.40	383.31	3.29	-65.11
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300029027339	0	60	0.0	-66.77	445.79	5.82	-60.95
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300029027339	1	60	0.0	-68.41	445.57	5.83	-62.58
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1C[NH+]2CCC1CC2	REAL300029027356	0	51	0.0	-76.62	380.50	3.48	-73.14
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC[NH+](C)CC1	REAL300029027447	0	50	0.0	-72.31	382.70	3.35	-68.96
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC[NH+](CC2CC2)CC1	REAL300029027546	0	57	0.0	-71.45	431.88	5.56	-65.89
CC[NH+](CC)CC(F)C(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029027594	0	52	0.0	-70.01	404.20	3.92	-66.09
CC(C)C[N@@H+]1CCC(C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029027630	0	56	0.0	-67.91	424.47	4.85	-63.06
CC(C)C[N@H+]1CCC(C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029027630	1	56	0.0	-67.55	423.97	4.86	-62.69
CCC(C(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300029027663	0	55	0.0	-59.45	404.48	4.18	-55.27
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[N@@H+]1CCCC1C	REAL300029027689	0	50	0.0	-63.04	388.17	3.70	-59.34
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[N@H+]1CCCC1C	REAL300029027689	1	50	0.0	-63.43	387.83	3.80	-59.63
CC(C)C1=[NH+]C=CN1CCC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029027787	1	54	0.0	-62.29	428.62	5.22	-57.07
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C(C)[NH+]1CCCCCC1	REAL300029027791	0	56	0.0	-62.42	411.77	4.76	-57.66
CC(C)[N@@H+]1CCCC1C(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029027825	0	53	0.0	-62.89	383.44	3.52	-59.37
CC(C)[N@H+]1CCCC1C(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029027825	1	53	0.0	-60.15	381.95	3.10	-57.05
CC(C)[N@@H+]1CCCC1CC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029027838	0	56	0.0	-61.90	414.88	4.19	-57.71
CC(C)[N@H+]1CCCC1CC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029027838	1	56	0.0	-64.69	412.81	4.30	-60.39
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[N@@H+]1CCC(C)C1	REAL300029027895	0	50	0.0	-64.92	389.08	3.77	-61.15
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[N@H+]1CCC(C)C1	REAL300029027895	1	50	0.0	-65.08	388.42	3.78	-61.30
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1(F)CC[N@@H+](C(C)(C)C)C1	REAL300029027896	0	56	0.0	-65.95	414.81	3.90	-62.05
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1(F)CC[N@H+](C(C)(C)C)C1	REAL300029027896	1	56	0.0	-65.60	419.74	4.21	-61.39
CC1=[NH+]C=C2CC(C(=O)N(C)C(C)CCNC(=O)C3=CC(=O)[N-]O3)CCN21	REAL300029027897	1	52	0.0	-66.67	404.27	4.48	-62.19
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300029027899	0	56	0.0	-79.70	442.29	6.04	-73.66
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300029027901	0	53	0.0	-64.81	408.20	4.28	-60.53
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[N@H+]1CCC(C)(C)C1	REAL300029027901	1	53	0.0	-64.84	408.17	4.28	-60.56
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[N@H+](C)CC(C)(C)C	REAL300029027902	0	55	0.0	-64.92	413.00	4.57	-60.35
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C	REAL300029027902	1	55	0.0	-65.40	411.05	4.42	-60.98
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300029027903	0	56	0.0	-69.09	442.35	6.47	-62.62
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300029027903	1	56	0.0	-69.39	442.35	6.47	-62.92
CC[C@@H](C(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029027912	0	49	0.0	-64.62	370.95	2.92	-61.70
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)COCC(C)[NH+]1CCCC1	REAL300029027919	0	57	0.0	-64.79	441.80	4.84	-59.95
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CCN(C)C1=CC=[NH+]C=C1	REAL300029028086	0	52	0.0	-62.67	417.69	3.72	-58.95
CC1=[NH+]C=CN1CC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029028204	1	45	0.0	-62.03	372.64	3.63	-58.40
CC(C[NH+]1CCOCC1)C(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029028206	0	54	0.0	-68.94	409.61	2.49	-66.45
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CCC[NH+]1CCCCC1	REAL300029028224	0	56	0.0	-68.08	428.71	5.31	-62.77
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300029028244	1	49	0.0	-76.07	398.69	3.32	-72.75
CC1=C(C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300029028246	0	48	0.0	-73.99	396.23	5.78	-68.21
CC(C)C1=[NH+]C=CN1CC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029028306	1	51	0.0	-61.61	408.86	4.77	-56.84
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CCCC2CCC[N@@H+]21	REAL300029028361	0	54	0.0	-62.02	398.50	4.42	-57.60
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CCCC2CCC[N@H+]21	REAL300029028361	1	54	0.0	-63.87	391.05	4.01	-59.86
CC[N@@H+]1CCOC(C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029028402	1	51	0.0	-73.33	386.25	2.75	-70.58
CC[N@H+]1CCOC(C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029028402	1	51	0.0	-71.51	387.07	2.79	-68.72
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300029028476	0	45	0.0	-68.67	378.56	5.42	-63.25
CC1=C[NH+]=CN1CC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029028481	1	45	0.0	-66.91	372.98	4.36	-62.55
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300029028487	0	53	0.0	-77.87	422.53	3.17	-74.70
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300029028501	0	53	0.0	-81.39	425.22	3.89	-77.50
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300029028508	0	50	0.0	-65.31	374.75	2.93	-62.38
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300029028508	1	50	0.0	-71.69	384.35	3.21	-68.48
CCC1=[NH+]C=CN1C(C)CC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029028511	1	54	0.0	-63.20	429.17	5.29	-57.91
CC[C@@H]1[C@@H](C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029028514	0	53	0.0	-67.37	399.90	3.64	-63.73
CC[C@@H]1[C@@H](C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029028514	1	53	0.0	-68.39	402.26	4.09	-64.30
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[NH+]1C(C)CCC1C	REAL300029028537	0	53	0.0	-62.43	400.44	4.04	-58.39
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CCC[NH+]1CCCC1	REAL300029028547	0	53	0.0	-68.30	413.04	4.60	-63.70
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300029028548	0	53	0.0	-73.41	417.39	5.13	-68.28
C#CC[NH+]1CCC(C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029028557	0	52	0.0	-73.11	407.52	4.59	-68.52
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC[NH+]1CCCCC1	REAL300029028558	0	53	0.0	-67.53	406.76	4.46	-63.07
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CN1C=[NH+]C2=C1CCCC2	REAL300029028580	1	52	0.0	-66.87	414.80	6.09	-60.78
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1(C[NH+](C)C)CCCCC1	REAL300029028615	0	59	0.0	-62.18	411.67	4.56	-57.62
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC[N@H+](C)C1CCCCC1	REAL300029028619	0	59	0.0	-69.54	441.62	5.68	-63.86
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC[N@@H+](C)C1CCCCC1	REAL300029028619	1	59	0.0	-68.82	441.62	5.66	-63.16
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC1([NH+](C)C)CCCC1	REAL300029028622	0	56	0.0	-70.02	407.04	4.50	-65.52
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1	REAL300029028637	1	54	0.0	-71.47	422.15	2.91	-68.56
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=NNC(C2CCC[N@H+]2C)=C1	REAL300029028637	1	54	0.0	-74.63	426.31	3.43	-71.20
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[N@H+](C)C1CCC1	REAL300029028866	0	50	0.0	-64.26	389.33	3.99	-60.27
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[N@@H+](C)C1CCC1	REAL300029028866	1	50	0.0	-63.22	389.43	4.00	-59.22
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C(C)[NH+]1C(C)CCC1C	REAL300029028900	0	56	0.0	-59.80	412.92	4.35	-55.45
CC[NH+](CC)CC1=CC=C(C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)O1	REAL300029028917	0	56	0.0	-74.95	436.72	5.04	-69.91
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CCCC[NH+]1CCCC1	REAL300029028922	0	56	0.0	-69.32	434.54	5.38	-63.94
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300029028925	1	53	0.0	-69.93	419.92	5.62	-64.31
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300029028925	1	53	0.0	-69.94	419.87	5.62	-64.32
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC[NH+](C)CC1	REAL300029028941	0	50	0.0	-72.31	382.70	3.35	-68.96
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@H]1CCC[N@@H+]1C	REAL300029029002	0	47	0.0	-62.50	366.81	2.83	-59.67
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@H]1CCC[N@H+]1C	REAL300029029002	1	47	0.0	-62.94	360.74	2.52	-60.42
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CCC1CCC[N@@H+]1C	REAL300029029032	0	53	0.0	-68.03	405.17	4.10	-63.93
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CCC1CCC[N@H+]1C	REAL300029029032	1	53	0.0	-68.68	410.60	4.56	-64.12
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CCC2CCCC[N@@H+]21	REAL300029029049	0	54	0.0	-64.22	403.15	4.47	-59.75
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CCC2CCCC[N@H+]21	REAL300029029049	1	54	0.0	-60.92	407.16	4.80	-56.12
CCC[N@@H+]1CCCC(C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029029144	0	56	0.0	-59.57	412.49	4.86	-54.71
CCC[N@H+]1CCCC(C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029029144	1	56	0.0	-67.63	421.99	4.78	-62.85
CC(C)[N@@H+]1CCOC(C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029029161	1	54	0.0	-75.69	410.97	3.48	-72.21
CC(C)[N@H+]1CCOC(C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029029161	1	54	0.0	-72.79	409.98	3.43	-69.36
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[NH+]1CCC(CO)CC1	REAL300029029248	0	54	0.0	-67.16	417.11	1.20	-65.96
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C=C1CC2CCC(C1)[NH+]2C	REAL300029029296	0	55	0.0	-67.01	415.38	4.98	-62.03
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC[N@H+](C)C1C	REAL300029029315	0	50	0.0	-67.88	380.83	3.19	-64.69
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC[N@@H+](C)C1C	REAL300029029315	1	50	0.0	-68.58	388.50	3.41	-65.17
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CCC1CCCC[N@@H+]1C	REAL300029029319	0	56	0.0	-72.55	417.17	4.81	-67.74
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CCC1CCCC[N@H+]1C	REAL300029029319	1	56	0.0	-67.43	424.29	4.98	-62.45
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC2=C(CCC2)[NH+]=C1N	REAL300029029356	1	50	0.0	-58.37	397.86	2.77	-55.60
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300029029435	0	53	0.0	-64.00	404.37	3.71	-60.29
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC[N@H+]1C(C)(C)C	REAL300029029435	1	53	0.0	-64.32	403.20	3.63	-60.69
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300029029455	0	53	0.0	-68.62	415.08	2.38	-66.24
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@H](C)[NH+](C)C	REAL300029029461	0	46	0.0	-63.17	359.74	2.42	-60.75
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=NC(C[NH+](C)C)=C1	REAL300029029482	1	52	0.0	-69.67	415.06	3.33	-66.34
C=CCC(C)(C(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029029488	0	53	0.0	-60.09	389.21	3.60	-56.49
CC[NH+](CC)CCSCC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029029526	0	56	0.0	-72.66	441.35	5.11	-67.55
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=C(N)C2=CC=CC=C2[NH+]=C1	REAL300029029527	1	49	0.0	-64.27	395.19	2.21	-62.06
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC[NH+]1CCCC1	REAL300029029532	0	50	0.0	-68.04	391.54	3.79	-64.25
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[N@H+](C)CCO	REAL300029029541	1	47	0.0	-67.28	371.30	-0.54	-67.82
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[N@@H+](C)CCO	REAL300029029541	1	47	0.0	-65.66	371.08	-0.56	-66.22
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1C[N@@H+]2CCN1CCC2	REAL300029029584	0	53	0.0	-71.65	386.24	1.36	-70.29
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1C[N@H+]2CCN1CCC2	REAL300029029584	1	53	0.0	-77.18	388.64	1.20	-75.98
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C(C)[NH+]1CCSCC1	REAL300029029623	1	51	0.0	-65.30	393.63	3.63	-61.67
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC1=CC[N@H+](C)CC1	REAL300029029672	0	51	0.0	-66.97	402.36	4.38	-62.59
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC1=CC[N@@H+](C)CC1	REAL300029029672	1	51	0.0	-65.16	402.34	4.38	-60.78
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC(=O)N(C2C[NH+](C)C2)C1	REAL300029029683	1	55	0.0	-71.16	428.27	2.60	-68.56
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C(O)CC[S+](C)C	REAL300029029691	0	49	0.0	-77.41	403.16	1.45	-75.96
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CN(C)CC[N@H+](C)C1	REAL300029029739	0	55	0.0	-64.09	410.28	1.97	-62.12
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CN(C)CC[N@@H+](C)C1	REAL300029029739	1	55	0.0	-65.77	412.29	1.34	-64.43
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C(C)[N@@H+]1CCCC(O)C1	REAL300029029740	0	54	0.0	-66.37	412.45	0.92	-65.45
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C(C)[N@H+]1CCCC(O)C1	REAL300029029740	1	54	0.0	-65.60	410.59	1.13	-64.47
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC1(O)CCC[N@H+](C)C1	REAL300029029784	0	54	0.0	-67.14	400.93	2.32	-64.82
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC1(O)CCC[N@@H+](C)C1	REAL300029029784	1	54	0.0	-59.95	403.55	2.20	-57.75
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[NH+]1CC(C)C1	REAL300029029790	1	47	0.0	-66.10	374.48	3.12	-62.98
CC[N@@H+]1CCCC(C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029029797	0	53	0.0	-61.32	394.33	4.21	-57.11
CC[N@H+]1CCCC(C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029029797	1	53	0.0	-63.93	400.03	3.93	-60.00
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC1=CC=C[NH+]=C1N	REAL300029029813	0	46	0.0	-61.17	377.46	1.87	-59.30
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CCC[N@@H+]1C1CC1	REAL300029029825	0	51	0.0	-61.61	397.05	4.35	-57.26
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CCC[N@H+]1C1CC1	REAL300029029825	1	51	0.0	-61.49	381.43	3.49	-58.00
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CCC1[N@@H+]1CCOC(C)C1	REAL300029029855	0	58	0.0	-58.94	430.30	4.10	-54.84
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CCC1[N@H+]1CCOC(C)C1	REAL300029029855	1	58	0.0	-59.02	429.69	4.02	-55.00
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=C(C[NH+]2CCCC2)O1	REAL300029029876	0	54	0.0	-76.31	430.94	5.07	-71.24
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C=CC[NH+]1CCCC1	REAL300029029883	0	51	0.0	-71.25	404.69	4.48	-66.77
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC[NH+](C2CC2)CC1	REAL300029029914	0	54	0.0	-68.87	403.00	4.45	-64.42
CC[N@H+](C)CC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029029965	0	46	0.0	-65.32	360.94	2.69	-62.63
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CN1CC2C=CC1C2	REAL300029030039	0	49	0.0	-63.73	382.35	3.90	-59.83
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[N@@H+]1CC2C=CC1C2	REAL300029030039	1	49	0.0	-64.01	382.44	4.00	-60.01
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[N@H+]1CC2C=CC1C2	REAL300029030039	1	49	0.0	-64.01	382.44	4.00	-60.01
CC1=CC=C(NCCC(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)N=C1	REAL300029030063	0	52	0.0	-64.46	422.08	3.47	-60.99
CC1=CC=C(NCCC(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)[NH+]=C1	REAL300029030063	1	52	0.0	-64.46	422.08	3.47	-60.99
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C(C)OCC[NH+](C)C	REAL300029030220	0	53	0.0	-68.85	413.45	3.53	-65.32
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CCOCC[NH+](C)C	REAL300029030233	0	53	0.0	-67.83	420.03	2.87	-64.96
COCCN(C)CC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029030235	0	50	0.0	-65.23	393.33	1.84	-63.39
COCC[N@H+](C)CC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029030235	1	50	0.0	-67.49	393.55	1.86	-65.63
COCC[N@@H+](C)CC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029030235	1	50	0.0	-67.49	393.55	1.86	-65.63
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CCC(C)[NH+](C)C	REAL300029030244	0	52	0.0	-68.27	400.57	3.82	-64.45
CC[N@H+](CC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029030286	0	50	0.0	-64.49	384.61	3.94	-60.55
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1C[N@@H+]2CCN1C(C)C2	REAL300029030297	0	53	0.0	-78.83	382.94	0.30	-78.53
CC1=NC(N)=CC=C1C=CC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029030347	0	50	0.0	-68.14	407.36	2.73	-65.41
CC1=[NH+]C(N)=CC=C1C=CC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029030347	1	50	0.0	-68.14	407.36	2.73	-65.41
CC1=C(C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)C=NN1CC[NH+](C)C	REAL300029030353	0	56	0.0	-73.57	440.91	3.67	-69.90
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[N@@H+]1CC2CCC1C2	REAL300029030356	0	51	0.0	-64.20	389.77	4.14	-60.06
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[N@H+]1CC2CCC1C2	REAL300029030356	1	51	0.0	-64.20	389.77	4.14	-60.06
CC(C)[NH+]1CCC(CC(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029030375	0	59	0.0	-66.66	437.08	5.40	-61.26
CC(C[NH+](C)C)C(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029030390	0	49	0.0	-59.34	376.44	3.14	-56.20
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300029030403	0	50	0.0	-78.41	402.01	3.58	-74.83
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300029030403	1	50	0.0	-78.41	402.01	3.58	-74.83
CC[N@@H+]1CCC1C(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029030447	0	47	0.0	-63.04	366.44	2.66	-60.38
CC(C)[N@@H+]1CCCC(C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029030465	0	56	0.0	-58.36	407.62	4.62	-53.74
CC(C)[N@H+]1CCCC(C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029030465	1	56	0.0	-58.36	407.62	4.62	-53.74
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CCN(C2=NC=CN2C)C1	REAL300029030467	0	54	0.0	-63.11	424.99	4.34	-58.77
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CCN(C2=[NH+]C=CN2C)C1	REAL300029030467	1	54	0.0	-63.11	424.99	4.34	-58.77
CCC(C)(C)[NH2+]C(C)C(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029030489	0	55	0.0	-64.97	401.41	2.31	-62.66
C#CCN1CCCCC1C(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029030546	0	52	0.0	-63.70	399.36	4.46	-59.24
C#CC[N@H+]1CCCCC1C(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029030546	1	52	0.0	-62.18	396.88	4.32	-57.86
C#CC[N@@H+]1CCCCC1C(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029030546	1	52	0.0	-62.18	396.88	4.32	-57.86
CNC1=NC(C)=CC=C1C(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029030549	0	49	0.0	-61.49	393.52	2.66	-58.83
CNC1=[NH+]C(C)=CC=C1C(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029030549	1	49	0.0	-61.49	393.52	2.66	-58.83
CCCC(C(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029030566	0	52	0.0	-65.79	392.45	3.69	-62.10
CC(CC[NH+](C)C)C(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029030601	0	52	0.0	-69.69	398.34	3.66	-66.03
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300029030663	0	57	0.0	-62.32	413.09	5.22	-57.10
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300029030663	1	57	0.0	-62.32	413.09	5.22	-57.10
COCCCC[N@H+](C)CCC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029030746	0	59	0.0	-72.86	459.98	3.89	-68.97
COCCCC[N@@H+](C)CCC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029030746	1	59	0.0	-72.86	459.98	3.89	-68.97
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C12CCC([NH+](C)C)(CC1)CC2	REAL300029030752	0	60	0.0	-78.07	416.79	4.55	-73.52
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300029030759	0	53	0.0	-60.81	406.41	4.02	-56.79
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC(C)(C)C[N@H+]1C	REAL300029030759	1	53	0.0	-60.81	406.41	4.02	-56.79
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CCCCC[NH+](C)C	REAL300029030765	0	55	0.0	-70.87	430.07	4.98	-65.89
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC[NH+]1CCC(O)CC1	REAL300029030771	0	54	0.0	-71.42	418.30	1.16	-70.26
CCC[N@@H+]1CCCCC1C(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029030776	0	56	0.0	-63.48	422.14	4.95	-58.53
CCC[N@H+]1CCCCC1C(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029030776	1	56	0.0	-63.48	422.14	4.95	-58.53
CC[NH+]1CCN(CCC(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029030785	0	58	0.0	-69.09	441.82	2.73	-66.36
CCN1CC[NH+](CCC(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029030785	1	58	0.0	-69.09	441.82	2.73	-66.36
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CN1CCN(C)CC1	REAL300029030789	0	52	0.0	-69.16	402.23	1.52	-67.64
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CN1CC[NH+](C)CC1	REAL300029030789	1	52	0.0	-69.16	402.23	1.52	-67.64
CC(C)C[NH+]1CCC(C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029030930	0	59	0.0	-70.65	439.53	5.50	-65.15
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1C[N@H+](C)CC(C)O1	REAL300029030934	1	51	0.0	-82.24	389.36	2.58	-79.66
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1C[N@@H+](C)CC(C)O1	REAL300029030934	1	51	0.0	-82.31	389.38	2.59	-79.72
CCC1CCC[N@H+](CC(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029030976	0	56	0.0	-65.94	424.21	5.15	-60.79
CCC1CCC[N@@H+](CC(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029030976	1	56	0.0	-65.67	417.18	5.11	-60.56
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=C(C[NH+](C)C)N1	REAL300029030987	0	51	0.0	-77.07	405.69	3.51	-73.56
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[NH+]1CC2CC2C1	REAL300029031010	0	48	0.0	-65.64	378.56	3.90	-61.74
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC1([NH+]2CCCC2)CC1	REAL300029031032	0	54	0.0	-63.79	408.31	4.81	-58.98
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C(C)[NH2+]C1(CO)CCCC1	REAL300029031052	0	57	0.0	-67.65	419.14	-0.29	-67.94
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CCCC[N@@H+]1C	REAL300029031087	0	50	0.0	-60.72	383.61	3.61	-57.11
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CCCC[N@H+]1C	REAL300029031087	1	50	0.0	-67.96	376.17	3.25	-64.71
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300029031094	1	54	0.0	-69.72	433.24	5.91	-63.81
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC[N@H+]1CC1=CC=CC=C1	REAL300029031094	1	54	0.0	-70.06	434.31	5.98	-64.08
CC(C)C[N@@H+]1CCCC(C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029031101	0	59	0.0	-66.78	439.42	5.47	-61.31
CC(C)C[N@H+]1CCCC(C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029031101	1	59	0.0	-60.09	429.94	5.54	-54.55
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CN1CCC([NH+](C)C)CC1	REAL300029031167	0	58	0.0	-69.61	436.55	2.72	-66.89
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C=C1CC[N@H+](C)C1	REAL300029031244	0	48	0.0	-71.84	381.24	3.58	-68.26
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C=C1CC[N@@H+](C)C1	REAL300029031244	1	48	0.0	-71.81	381.27	3.58	-68.23
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CNC1=CC=[NH+]C=C1	REAL300029031252	0	46	0.0	-68.13	378.93	1.30	-66.83
CC[NH+]1CCN(CC(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029031320	0	55	0.0	-67.76	419.97	2.20	-65.56
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C=C1C[NH+]2CCC1CC2	REAL300029031323	0	52	0.0	-64.02	398.53	4.44	-59.58
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300029031386	0	54	0.0	-63.40	414.00	1.41	-61.99
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O	REAL300029031386	1	54	0.0	-63.24	414.22	1.22	-62.02
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1C[NH+](C2CCOCC2)C1	REAL300029031395	0	55	0.0	-73.10	425.20	2.93	-70.17
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300029031412	0	47	0.0	-67.51	362.60	2.56	-64.95
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@@H]1CCC[N@H+]1C	REAL300029031412	1	47	0.0	-63.00	365.92	2.89	-60.11
CC[N@@H+]1CCOCC1CC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029031452	0	54	0.0	-71.18	411.08	2.55	-68.63
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC(=O)NC2=C1CCC[NH2+]2	REAL300029031459	0	51	0.0	-81.45	408.58	1.35	-80.10
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1C[NH+](C2CCCCC2)C1	REAL300029031482	0	57	0.0	-70.72	433.99	5.32	-65.40
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=C2NC(N)=NC2=C1	REAL300029031564	0	47	0.0	-69.77	385.87	2.95	-66.82
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=C2NC(N)=[NH+]C2=C1	REAL300029031564	1	47	0.0	-69.77	385.87	2.95	-66.82
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300029031617	0	50	0.0	-65.15	392.51	3.76	-61.39
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC[NH+]1C(C)CCCC1C	REAL300029031632	0	59	0.0	-65.62	433.80	5.17	-60.45
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CCC([NH+](C)C)CC1	REAL300029031635	0	56	0.0	-74.52	417.11	4.58	-69.94
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300029031639	0	56	0.0	-68.16	410.59	4.44	-63.72
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC1CC=CC[N@@H+]1C	REAL300029031640	0	51	0.0	-62.11	389.39	4.06	-58.05
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC1CC=CC[N@H+]1C	REAL300029031640	1	51	0.0	-57.54	389.38	4.07	-53.47
CC1=CC(C=CC(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)=C[NH+]=C1N	REAL300029031711	1	50	0.0	-71.24	407.56	3.02	-68.22
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)COCC[NH+](C)C	REAL300029031727	0	50	0.0	-69.22	399.08	3.13	-66.09
CCCCC[N@H+](C)CCC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029031735	0	58	0.0	-69.84	447.81	5.58	-64.26
CCCCC[N@@H+](C)CCC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029031735	1	58	0.0	-69.99	447.80	5.60	-64.39
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300029031749	0	54	0.0	-69.08	419.16	3.89	-65.19
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CN1C=CSC1=[NH2+]	REAL300029031776	0	43	0.0	-60.38	370.28	2.21	-58.17
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@@H](C)OCC[NH+](C)C	REAL300029031875	0	53	0.0	-63.38	413.76	3.58	-59.80
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1(C2(O)CC[NH+](C)CC2)CC1	REAL300029031879	0	58	0.0	-61.09	427.17	2.28	-58.81
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC[NH+]1CCCCCC1	REAL300029031955	0	56	0.0	-68.82	417.24	4.70	-64.12
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CCC[N@H+](C)C1	REAL300029031963	0	50	0.0	-68.94	382.81	3.38	-65.56
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CCC[N@@H+](C)C1	REAL300029031963	1	50	0.0	-68.94	382.81	3.38	-65.56
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[NH+]1CCCCCC1	REAL300029031971	0	53	0.0	-64.22	394.29	4.08	-60.14
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[N+]1=CN(C)C=C1	REAL300029031978	0	45	0.0	-64.76	374.44	5.54	-59.22
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=C(CN(C)C)O1	REAL300029031999	0	50	0.0	-77.03	404.52	3.86	-73.17
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300029031999	1	50	0.0	-77.03	404.52	3.86	-73.17
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[N@H+](C)C1CC1	REAL300029032032	0	47	0.0	-63.37	372.48	3.44	-59.93
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C(C)N1CCN(C)CC1	REAL300029032034	0	55	0.0	-71.97	417.50	1.88	-70.09
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C(C)N1CC[NH+](C)CC1	REAL300029032034	1	55	0.0	-71.97	417.50	1.88	-70.09
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC[N@@H+]1CCC(F)C1	REAL300029032042	0	50	0.0	-73.61	397.41	3.86	-69.75
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300029032076	0	56	0.0	-75.13	439.88	5.97	-69.16
CC(CC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029032082	0	52	0.0	-70.23	400.40	4.08	-66.15
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC[N@@H+]2CCOCC12	REAL300029032107	0	52	0.0	-65.89	392.80	2.08	-63.81
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC[N@H+]2CCOCC12	REAL300029032107	1	52	0.0	-65.89	392.80	2.08	-63.81
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC1COCCN1C	REAL300029032141	0	51	0.0	-65.61	386.34	1.74	-63.87
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC1COCC[N@@H+]1C	REAL300029032141	1	51	0.0	-72.38	393.94	1.88	-70.50
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC1COCC[N@H+]1C	REAL300029032141	1	51	0.0	-72.38	393.94	1.88	-70.50
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C(C[NH+](C)C)C1=CC=CC=C1	REAL300029032150	0	56	0.0	-72.01	440.91	6.00	-66.01
CC1=CC(N)=NC=C1C(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029032221	0	46	0.0	-70.91	373.04	1.31	-69.60
CC1=CC(N)=[NH+]C=C1C(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029032221	1	46	0.0	-70.91	373.04	1.31	-69.60
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300029032285	0	51	0.0	-67.10	399.76	0.43	-66.67
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=NN1CC[NH+](C)C	REAL300029032295	0	53	0.0	-60.95	418.34	3.22	-57.73
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC1C[NH+](C)C1	REAL300029032331	0	47	0.0	-69.18	374.66	2.88	-66.30
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC[N@@H+]1C1CCCC1	REAL300029032337	0	54	0.0	-63.85	407.62	4.46	-59.39
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC[N@H+]1C1CCCC1	REAL300029032337	1	54	0.0	-63.85	407.62	4.46	-59.39
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC[N@H+](C)CCO	REAL300029032392	0	50	0.0	-67.18	393.61	0.06	-67.12
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC[N@@H+](C)CCO	REAL300029032392	1	50	0.0	-67.18	393.61	0.06	-67.12
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC1CCCC[N@@H+]1C	REAL300029032415	0	53	0.0	-68.91	402.14	4.24	-64.67
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC1CCCC[N@H+]1C	REAL300029032415	1	53	0.0	-68.91	402.14	4.24	-64.67
CC1=C2C=C(C(=O)N(C)C(C)CCNC(=O)C3=CC(=O)[N-]O3)C=CN2C=N1	REAL300029032443	0	48	0.0	-71.36	400.59	6.00	-65.36
CC1=C2C=C(C(=O)N(C)C(C)CCNC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029032443	1	48	0.0	-71.36	400.59	6.00	-65.36
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[N@@H+]1CCC1C	REAL300029032449	0	47	0.0	-64.15	374.53	3.11	-61.04
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C=CC[NH+](C)C	REAL300029032465	0	47	0.0	-72.97	379.62	3.31	-69.66
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CN1CC(C)(C)C1	REAL300029032482	0	50	0.0	-66.02	393.82	3.64	-62.38
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[NH+]1CC(C)(C)C1	REAL300029032482	1	50	0.0	-66.02	393.82	3.64	-62.38
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CCCC[NH+]1CCCCC1	REAL300029032497	0	59	0.0	-69.30	450.21	6.08	-63.22
CC1=C(C)NC(CCC(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300029032512	0	51	0.0	-62.43	413.45	3.35	-59.08
CC1=C(C)[NH+]=C(CCC(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)N1	REAL300029032512	1	51	0.0	-62.43	413.45	3.35	-59.08
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC2=C(CN(C)CC2)S1	REAL300029032513	0	51	0.0	-79.41	412.60	4.67	-74.74
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC2=C(C[N@H+](C)CC2)S1	REAL300029032513	1	51	0.0	-78.51	412.42	4.64	-73.87
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC2=C(C[N@@H+](C)CC2)S1	REAL300029032513	1	51	0.0	-78.51	412.42	4.64	-73.87
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1(C2CC[NH+](C)CC2)CC1	REAL300029032524	0	57	0.0	-76.12	427.88	5.22	-70.90
CC1=C2C=C(C(=O)N(C)C(C)CCNC(=O)C3=CC(=O)[N-]O3)C=CN2C=N1	REAL300029032534	0	48	0.0	-71.36	400.59	6.00	-65.36
CC1=C2C=C(C(=O)N(C)C(C)CCNC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029032534	1	48	0.0	-71.36	400.59	6.00	-65.36
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CSCC[NH+](C)C	REAL300029032548	0	50	0.0	-74.45	410.11	4.02	-70.43
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C(C)[N@H+](C)CC1=CC=CC=C1	REAL300029032568	0	56	0.0	-66.98	436.03	5.94	-61.04
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC2=C(CCCC2)N=C1N	REAL300029032572	0	53	0.0	-61.62	415.15	3.35	-58.27
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC2=C(CCCC2)[NH+]=C1N	REAL300029032572	1	53	0.0	-61.62	415.15	3.35	-58.27
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[N@@H+]1CCCC1CO	REAL300029032580	0	51	0.0	-64.90	398.00	0.58	-64.32
CC[NH+](CC)CC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029032583	0	49	0.0	-64.05	374.80	3.10	-60.95
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[N@H+](C)C1CCSC1	REAL300029032600	0	51	0.0	-70.10	402.56	4.27	-65.83
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CN1CCC1	REAL300029032602	0	44	0.0	-66.51	353.31	2.45	-64.06
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[NH+]1CCC1	REAL300029032602	1	44	0.0	-66.51	353.31	2.45	-64.06
CC[NH+](CC)CCC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029032652	0	52	0.0	-67.44	396.81	3.71	-63.73
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC2COCC[N@@H+]2C1	REAL300029032754	0	52	0.0	-65.89	401.01	2.34	-63.55
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC2COCC[N@H+]2C1	REAL300029032754	1	52	0.0	-65.89	401.01	2.34	-63.55
CCC(CC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029032785	0	55	0.0	-64.63	418.52	4.70	-59.93
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC(C1=CC=CC=C1)[NH+](C)C	REAL300029032831	0	56	0.0	-74.46	433.14	6.08	-68.38
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C	REAL300029032867	0	50	0.0	-60.63	383.58	3.61	-57.02
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@H]1CCCC[N@H+]1C	REAL300029032867	1	50	0.0	-68.24	376.05	3.30	-64.94
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1C[N@@H+]2CCN1CC2C	REAL300029032882	0	53	0.0	-66.46	387.19	0.43	-66.03
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1C[N@H+]2CCN1CC2C	REAL300029032882	1	53	0.0	-64.94	392.58	0.63	-64.31
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC(O)C[NH+](C)C	REAL300029032912	0	50	0.0	-72.57	395.81	1.09	-71.48
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC2CCC(C1)[NH+]2C	REAL300029032915	0	54	0.0	-59.34	366.31	3.06	-56.28
C#CC1(O)CC[NH+](C(C)C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029032955	0	56	0.0	-65.66	433.82	1.79	-63.87
C=CCC(C(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029032967	0	50	0.0	-63.88	384.40	3.41	-60.47
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC2CCCC[N@@H+]2C1	REAL300029032980	0	54	0.0	-64.19	409.45	4.70	-59.49
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1CC2CCCC[N@H+]2C1	REAL300029032980	1	54	0.0	-63.66	407.50	4.66	-59.00
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC1(O)CC[NH+](C)CC1	REAL300029032999	0	54	0.0	-67.18	413.49	2.37	-64.81
COCC[N@@H+]1CCCC1CC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029033017	0	57	0.0	-58.97	433.73	3.97	-55.00
COCC[N@H+]1CCCC1CC(=O)N(C)C(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300029033017	1	57	0.0	-66.13	441.95	3.51	-62.62
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC1CC2CCC(C1)[NH+]2C	REAL300029033027	0	57	0.0	-65.03	408.89	4.52	-60.51
CC(CCNC(=O)C1=CC=NN1CC[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029033069	0	53	0.0	-67.06	420.87	3.44	-63.62
CC(CCNC(=O)C1=CC2=C(C[N@H+](C)CC2)S1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029033111	1	51	0.0	-88.26	415.13	5.04	-83.22
CC(CCNC(=O)C1=CC2=C(C[N@@H+](C)CC2)S1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029033111	1	51	0.0	-88.18	414.48	5.02	-83.16
CC(CCNC(=O)C1(C2CC[NH+](C)CC2)CC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029033123	0	57	0.0	-68.38	428.94	5.65	-62.73
CC1=C2C=C(C(=O)NCCC(C)N(C)C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029033136	1	48	0.0	-82.20	392.90	6.04	-76.16
CC(CCNC(=O)CSCC[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029033151	0	50	0.0	-83.25	407.48	3.89	-79.36
CC(CCNC(=O)C1CC2COCC[N@@H+]2C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029033163	0	52	0.0	-76.82	399.23	2.33	-74.49
CC(CCNC(=O)C1CC2COCC[N@H+]2C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029033163	1	52	0.0	-76.76	399.36	2.29	-74.47
C[N@@H+]1CCCC1C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029033328	0	52	0.0	-66.82	357.61	5.49	-61.33
C[N@H+]1CCCC1C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029033328	1	52	0.0	-70.18	365.84	5.85	-64.33
C[N@@H+]1CCOC(C(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029033352	1	53	0.0	-75.89	367.23	4.97	-70.92
C[N@H+]1CCOC(C(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029033352	1	53	0.0	-86.32	368.04	5.00	-81.32
CC(C)[N@@H+]1CCCC1C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029033508	0	58	0.0	-57.27	392.13	7.07	-50.20
CC(C)[N@H+]1CCCC1C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029033508	1	58	0.0	-64.25	395.79	6.77	-57.48
CC1=[NH+]C=CN1CC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029033541	1	50	0.0	-60.39	369.40	6.59	-53.80
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC1CN(C(=O)C1C[NH+]3CCC1CC3)C2	REAL300029033569	0	56	0.0	-59.13	377.67	6.39	-52.74
C[C@@H]1[C@H](C(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029033603	0	55	0.0	-72.22	369.46	5.62	-66.60
C[C@@H]1[C@H](C(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029033603	1	55	0.0	-69.90	379.30	6.01	-63.89
CC[C@@H]1[C@@H](C(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029033605	0	58	0.0	-74.21	394.64	6.50	-67.71
CC[C@@H]1[C@@H](C(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029033605	1	58	0.0	-69.93	398.34	6.92	-63.01
CC[N@@H+]1CCOC(C(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029033612	1	56	0.0	-75.39	384.25	5.65	-69.74
CC[N@H+]1CCOC(C(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029033612	1	56	0.0	-84.25	383.41	5.64	-78.61
CC[NH+](CC)CC(F)C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029033640	0	57	0.0	-67.39	403.37	6.92	-60.47
CC1CCC(C)[NH+]1CC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029033676	0	58	0.0	-65.89	391.86	6.64	-59.25
O=C(CCC[NH+]1CCCC1)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029033679	0	58	0.0	-66.05	411.11	7.52	-58.53
O=C(CC[NH+]1CCCCC1)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029033682	0	58	0.0	-65.03	405.29	7.43	-57.60
CC[N@@H+]1CCCCC1C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029033685	0	58	0.0	-67.33	391.21	6.90	-60.43
CC[N@H+]1CCCCC1C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029033685	1	58	0.0	-69.10	399.09	7.15	-61.95
C[NH+](C)C1(C(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CCC1	REAL300029033696	0	55	0.0	-67.02	359.47	5.49	-61.53
CC(C)[C@@H](C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029033703	0	57	0.0	-67.78	379.98	6.36	-61.42
C[N@H+](CC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300029033728	0	55	0.0	-66.79	388.85	6.76	-60.03
C[N@@H+](CC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300029033728	1	55	0.0	-62.76	388.04	6.97	-55.79
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029033804	1	54	0.0	-67.14	382.92	6.52	-60.62
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029033804	1	54	0.0	-76.64	392.05	7.09	-69.55
C[N@@H+]1CCCC1CCC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029033809	0	58	0.0	-73.29	407.03	7.46	-65.83
C[N@H+]1CCCC1CCC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029033809	1	58	0.0	-67.24	403.49	7.02	-60.22
C[NH+]1CCC(C(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029033829	0	55	0.0	-71.11	384.53	6.26	-64.85
C[N@@H+]1CCCCC1C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029033868	0	55	0.0	-55.99	373.59	6.15	-49.84
C[N@H+]1CCCCC1C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029033868	1	55	0.0	-75.76	367.84	5.99	-69.77
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC1CN(C(=O)C1=CN3C=[NH+]C=C3C=C1)C2	REAL300029033938	0	50	0.0	-71.31	375.65	8.20	-63.11
O=C(CC[NH+]1CCOCC1)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029033945	1	56	0.0	-68.22	396.55	4.99	-63.23
CC1=C[NH+]=CN1CC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029033958	1	50	0.0	-66.29	369.74	7.32	-58.97
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC1CN(C(=O)C13CCC[NH+]1CCC3)C2	REAL300029033979	0	56	0.0	-73.60	372.16	6.11	-67.49
C[N@@H+]1CCC(CC(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029033990	0	55	0.0	-71.96	387.34	6.59	-65.37
C[N@H+]1CCC(CC(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029033990	1	55	0.0	-70.59	388.35	6.56	-64.03
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029033996	0	54	0.0	-64.04	387.97	5.00	-59.04
CCC(C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029033998	0	54	0.0	-64.24	368.33	5.82	-58.42
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC1CN(C(=O)C1=CC3=C[NH+]=CN3C=C1)C2	REAL300029034025	1	50	0.0	-70.77	375.77	8.26	-62.51
C[NH+](C)CCCCC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034057	0	57	0.0	-68.27	406.64	7.12	-61.15
CC(C)C(C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029034071	0	57	0.0	-66.93	383.82	6.42	-60.51
CCC[N@H+](C)CCC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034072	0	57	0.0	-66.55	402.87	6.96	-59.59
CCC[N@@H+](C)CCC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034072	1	57	0.0	-66.15	402.87	6.96	-59.19
CCC[N@H+](C)CC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034076	0	54	0.0	-64.22	379.20	6.39	-57.83
CCC[N@@H+](C)CC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034076	1	54	0.0	-63.14	380.98	6.52	-56.62
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC1CN(C(=O)C13CC[N@H+](C1)CCC3)C2	REAL300029034091	0	56	0.0	-78.07	368.82	5.59	-72.48
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC1CN(C(=O)C13CC[N@@H+](C1)CCC3)C2	REAL300029034091	1	56	0.0	-72.57	367.69	5.54	-67.03
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034117	0	52	0.0	-67.32	357.32	5.43	-61.89
C[N@H+]1CCC[C@@H]1C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034117	1	52	0.0	-72.28	365.49	5.81	-66.47
CC[NH+](CC)CC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034152	0	54	0.0	-61.97	372.77	6.02	-55.95
CC1CC[NH+](CC(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029034213	0	58	0.0	-63.01	403.86	7.44	-55.57
C[NH+](C)CC1(C(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029034235	0	55	0.0	-63.55	381.80	6.28	-57.27
C[NH+]1CCC(C(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029034288	0	55	0.0	-71.11	384.53	6.26	-64.85
CC(C)[C@H](C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029034304	0	57	0.0	-57.50	377.05	6.28	-51.22
CCC(C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](CC)CC	REAL300029034332	0	60	0.0	-65.15	401.55	7.09	-58.06
CC[N@H+](C)CCC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034373	0	54	0.0	-65.99	381.37	6.22	-59.77
CC[N@@H+](C)CCC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034373	1	54	0.0	-71.06	380.95	6.22	-64.84
CC1CCC[N@@H+]1CC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034403	0	55	0.0	-60.97	387.29	6.74	-54.23
CC1CCC[N@H+]1CC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034403	1	55	0.0	-68.31	385.49	6.74	-61.57
CC1CC[N@H+](CC(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029034405	0	55	0.0	-70.10	388.35	6.69	-63.41
CC1CC[N@@H+](CC(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029034405	1	55	0.0	-70.51	386.28	6.68	-63.83
CC1(C)CC[N@H+](CC(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029034409	0	58	0.0	-62.97	406.86	7.21	-55.76
CC1(C)CC[N@@H+](CC(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029034409	1	58	0.0	-63.32	407.76	7.42	-55.90
C[N@H+](CC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300029034410	0	60	0.0	-63.69	407.21	7.38	-56.31
C[N@@H+](CC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300029034410	1	60	0.0	-62.58	411.75	7.66	-54.92
CC[C@@H](C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029034418	0	54	0.0	-66.36	369.86	6.01	-60.35
C[NH+](C)CC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034522	0	48	0.0	-64.38	341.28	4.95	-59.43
O=C(C[NH+]1CCCCCC1)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034526	0	58	0.0	-61.42	392.25	7.00	-54.42
CN1C=C[N+](CC(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029034529	0	50	0.0	-60.21	372.51	8.46	-51.75
C[N@@H+]1CCCC(C(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029034534	0	55	0.0	-71.46	373.15	6.51	-64.95
C[N@H+]1CCCC(C(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029034534	1	55	0.0	-69.59	383.34	6.32	-63.27
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC1CN(C(=O)C1CCC[N@@H+]1C1CC1)C2	REAL300029034539	0	56	0.0	-64.20	394.15	7.15	-57.05
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC1CN(C(=O)C1CCC[N@H+]1C1CC1)C2	REAL300029034539	1	56	0.0	-57.68	392.23	7.06	-50.62
CC(C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300029034555	1	52	0.0	-62.92	358.86	5.55	-57.37
CCC(CC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300029034559	0	60	0.0	-66.38	412.20	7.52	-58.86
C[NH+](C)CC(C)(C)C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034564	0	57	0.0	-74.68	377.44	5.91	-68.77
O=C(C[NH+]1CCC(O)CC1)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034579	1	56	0.0	-75.02	393.71	3.46	-71.56
C[N@H+](CC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029034580	0	52	0.0	-60.30	370.56	6.37	-53.93
C[N@@H+](CC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029034580	1	52	0.0	-68.30	370.18	6.49	-61.81
C[NH+]1CC(CC(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029034596	0	52	0.0	-68.75	372.70	5.82	-62.93
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034607	0	58	0.0	-67.30	375.61	6.08	-61.22
CC(C)(C)[N@H+]1CCC1C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034607	1	58	0.0	-67.49	379.72	6.41	-61.08
C[C@@H](C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029034618	0	51	0.0	-67.28	352.84	4.94	-62.34
[NH2+]=C1SC=CN1CC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034677	0	48	0.0	-58.27	367.04	5.16	-53.11
C[N@H+](CCO)CCC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034684	0	55	0.0	-64.69	391.73	3.00	-61.69
C[N@@H+](CCO)CCC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034684	1	55	0.0	-66.47	391.41	2.97	-63.50
C[C@@H](C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029034685	0	51	0.0	-67.28	352.84	4.94	-62.34
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034689	0	55	0.0	-81.00	371.02	6.17	-74.83
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034689	1	55	0.0	-64.40	378.60	6.43	-57.97
O=C(C[NH+]1CCC1)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034739	1	49	0.0	-65.21	350.24	5.45	-59.76
C[N@@H+]1CCC(=CC(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029034758	0	53	0.0	-80.65	376.74	6.67	-73.98
C[N@H+]1CCC(=CC(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029034758	1	53	0.0	-69.62	380.06	6.54	-63.08
C[NH+](C)CCOCC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034781	0	55	0.0	-63.83	397.16	6.05	-57.78
C=CCC(C)(C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029034795	0	58	0.0	-64.33	387.54	6.35	-57.98
C[S+](C)CCC(O)C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034799	0	54	0.0	-72.31	402.31	4.37	-67.94
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034818	0	56	0.0	-72.81	368.86	2.15	-70.66
CC1CN(CC(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029034837	0	52	0.0	-65.33	370.07	6.13	-59.20
CC1C[NH+](CC(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029034837	1	52	0.0	-65.33	370.07	6.13	-59.20
C[N@H+](CCO)CC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034855	1	52	0.0	-64.56	369.84	2.53	-62.03
C[N@@H+](CCO)CC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034855	1	52	0.0	-63.38	367.92	2.38	-61.00
CC[N@@H+]1CCCC(C(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029034875	0	58	0.0	-68.65	399.74	6.95	-61.70
CC[N@H+]1CCCC(C(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029034875	1	58	0.0	-71.19	396.82	6.91	-64.28
CC(CC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300029034877	0	57	0.0	-66.86	398.47	7.00	-59.86
CC[N@H+](C)CC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034882	0	51	0.0	-63.96	357.70	5.65	-58.31
CC[N@@H+](C)CC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034882	1	51	0.0	-62.81	359.48	5.77	-57.04
CC[N@H+](CC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029034915	0	55	0.0	-58.96	390.54	6.98	-51.98
CC[N@@H+](CC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029034915	1	55	0.0	-60.28	387.26	6.89	-53.39
CC[NH+](CC)CCC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034925	0	57	0.0	-65.14	398.55	6.89	-58.25
C[NH+]1CCC(=CC(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029034935	0	56	0.0	-68.93	393.32	7.34	-61.59
CC1(C)C[NH+](CC(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029034943	1	55	0.0	-62.94	390.85	6.64	-56.30
CC1(O)CC[N@H+](CC(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029034961	0	56	0.0	-63.70	397.06	3.36	-60.34
CC1(O)CC[N@@H+](CC(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029034961	1	56	0.0	-71.41	397.76	3.36	-68.05
C[NH+](C)CC=CC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034965	0	52	0.0	-82.06	376.56	6.21	-75.85
CC(OCC[NH+](C)C)C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034974	0	58	0.0	-66.95	411.54	6.47	-60.48
C[NH+](C)CCOCCC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034980	0	58	0.0	-67.22	418.05	5.80	-61.42
COCC[N@H+](C)CC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034981	1	55	0.0	-62.80	390.17	4.80	-58.00
COCC[N@@H+](C)CC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034981	1	55	0.0	-64.55	392.09	4.93	-59.62
C[NH+](C)C1(C(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300029035001	0	58	0.0	-70.65	375.72	6.72	-63.93
CC(CCC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029035003	0	57	0.0	-64.78	394.82	6.69	-58.09
CC[N@@H+]1CCC1C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029035009	1	52	0.0	-67.50	364.65	5.66	-61.84
CC[N@H+]1CCC1C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029035009	1	52	0.0	-68.44	364.59	5.52	-62.92
O=C(C[N@H+]1CCCC1CO)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029035022	0	56	0.0	-62.30	387.73	3.49	-58.81
O=C(C[N@@H+]1CCCC1CO)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029035022	1	56	0.0	-69.89	394.26	3.49	-66.40
C[NH+]1CCC(C)(C(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029035044	0	58	0.0	-73.22	384.16	6.27	-66.95
C=CCC(C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029035063	0	55	0.0	-62.54	380.96	6.31	-56.23
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029035070	0	58	0.0	-65.94	396.69	6.70	-59.24
C[N@H+]1CC(C)(C)CC1C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029035070	1	58	0.0	-71.20	399.60	6.66	-64.54
C[NH+](C)CCCCCC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029035072	0	60	0.0	-68.51	428.14	7.90	-60.61
O=C(C[NH+]1CC2CC2C1)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029035077	0	53	0.0	-64.07	377.17	7.04	-57.03
CCCC(C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029035093	0	57	0.0	-65.87	389.82	6.58	-59.29
C[NH+](C)C(C)(C)C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029035096	0	54	0.0	-53.82	355.30	5.66	-48.16
C[N@@H+]1CCCCC1C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029035122	0	55	0.0	-55.99	373.59	6.15	-49.84
C[N@H+]1CCCCC1C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029035122	1	55	0.0	-75.76	367.84	5.99	-69.77
C[N@H+]1CC=C(CC(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029035146	0	56	0.0	-67.67	400.76	7.30	-60.37
C[N@@H+]1CC=C(CC(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029035146	1	56	0.0	-66.28	400.20	7.32	-58.96
O=C(C=CC[NH+]1CCCC1)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029035186	0	56	0.0	-69.23	402.85	7.38	-61.85
C[NH+](C)C1(C(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029035217	0	52	0.0	-71.40	353.70	4.90	-66.50
O=C(CC[NH+]1CCCC1)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029035219	0	55	0.0	-70.70	389.23	6.72	-63.98
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC1CN(C(=O)C1C[NH+]3CCN1CC3)C2	REAL300029035243	0	55	0.0	-88.20	371.23	2.94	-85.26
C[N@@H+]1CC2CC1(C(=O)N1CC3CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029035248	0	53	0.0	-81.37	363.73	6.14	-75.23
C[N@H+]1CC2CC1(C(=O)N1CC3CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029035248	1	53	0.0	-66.34	361.29	6.02	-60.32
O=C(C[N@@H+]1CC2CCC1C2)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029035255	0	56	0.0	-60.08	384.78	6.83	-53.25
O=C(C[N@H+]1CC2CCC1C2)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029035255	1	56	0.0	-61.94	388.51	7.04	-54.90
O=C(C[N@@H+]1CC2C=CC1C2)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029035295	1	54	0.0	-68.93	380.08	6.89	-62.04
O=C(C[N@H+]1CC2C=CC1C2)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029035295	1	54	0.0	-61.64	381.94	6.98	-54.66
CC(C[NH+](C)C)C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029035327	0	54	0.0	-76.96	376.36	5.96	-71.00
C[N@@H+]1CCCCC1CC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029035377	0	58	0.0	-67.31	391.89	7.03	-60.28
C[N@H+]1CCCCC1CC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029035377	1	58	0.0	-56.48	393.64	7.05	-49.43
CC(C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CC(C)C1	REAL300029035387	1	55	0.0	-64.36	386.12	6.49	-57.87
CC1CC[N@@H+]1CC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029035389	1	52	0.0	-61.79	367.66	5.73	-56.06
CC1CC[N@H+]1CC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029035389	1	52	0.0	-63.13	372.61	6.02	-57.11
C[NH+](C)CC(O)CC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029035392	0	55	0.0	-70.26	393.70	4.03	-66.23
CC1C[N@H+](C)CC(C(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029035412	1	56	0.0	-79.25	394.63	5.91	-73.34
CC1C[N@@H+](C)CC(C(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029035412	1	56	0.0	-91.59	386.54	5.89	-85.70
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029035459	0	55	0.0	-63.37	391.02	6.71	-56.66
CC(CC[NH+](C)C)C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029035465	0	57	0.0	-77.16	398.02	6.60	-70.56
C[NH+]1CCN(CC(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029035484	1	57	0.0	-68.39	399.47	4.56	-63.83
NC(=[NH2+])SCC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029035508	0	46	0.0	-64.23	349.20	1.98	-62.25
C[NH+](C)CCC1(C(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029035537	0	58	0.0	-64.45	409.04	7.18	-57.27
C[N@@H+]1CC=CCC1CC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029035538	0	56	0.0	-62.00	387.92	6.88	-55.12
C[N@H+]1CC=CCC1CC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029035538	1	56	0.0	-64.93	386.19	6.97	-57.96
C[C@@H](OCC[NH+](C)C)C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029035551	0	58	0.0	-61.65	405.12	6.47	-55.18
CCC1CN(CC(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029035637	0	55	0.0	-69.65	395.05	6.57	-63.08
CCC1C[NH+](CC(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029035637	1	55	0.0	-69.65	395.05	6.57	-63.08
C[N@@H+]1CCC[C@H]1C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029035642	0	52	0.0	-66.72	357.39	5.36	-61.36
O=C(CC[N@H+]1CCC(F)C1)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029035648	0	55	0.0	-81.07	401.25	6.59	-74.48
CC1C(C(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029035667	0	55	0.0	-61.54	376.04	6.19	-55.35
CC1C(C(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029035667	1	55	0.0	-61.54	376.04	6.19	-55.35
CN1CCOCC1CC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029035696	0	56	0.0	-66.19	384.90	4.68	-61.51
C[N@@H+]1CCOCC1CC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029035696	1	56	0.0	-57.79	385.28	4.64	-53.15
C[N@H+]1CCOCC1CC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029035696	1	56	0.0	-57.79	385.28	4.64	-53.15
C[N@@H+]1CCCC1C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029035867	0	52	0.0	-74.28	358.03	5.43	-68.85
C[N@H+]1CCCC1C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029035867	1	52	0.0	-77.01	363.02	5.56	-71.45
O=C(CC[NH+]1CCOCC1)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029036045	1	56	0.0	-80.88	399.74	5.13	-75.75
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N(C(=O)C1=CC3=C[NH+]=CN3C=C1)C2	REAL300029036058	1	50	0.0	-78.01	378.33	8.44	-69.57
C[N@@H+]1CCC(CC(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029036086	0	55	0.0	-76.56	390.76	6.71	-69.85
C[N@H+]1CCC(CC(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029036086	1	55	0.0	-78.29	391.12	6.72	-71.57
CCC(C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029036093	0	54	0.0	-72.84	371.98	5.94	-66.90
C[NH+](C)CCCCC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029036128	0	57	0.0	-74.70	410.23	7.26	-67.44
CCC[N@H+](C)CCC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029036143	0	57	0.0	-76.49	406.47	7.07	-69.42
CCC[N@@H+](C)CCC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029036143	1	57	0.0	-76.50	406.47	7.08	-69.42
CCC[N@H+](C)CC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029036146	0	54	0.0	-76.66	383.09	6.48	-70.18
CCC[N@@H+](C)CC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029036146	1	54	0.0	-77.42	383.22	6.37	-71.05
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N(C(=O)C13CC[N@H+](C1)CCC3)C2	REAL300029036158	0	56	0.0	-78.09	374.57	5.79	-72.30
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N(C(=O)C13CC[N@@H+](C1)CCC3)C2	REAL300029036158	1	56	0.0	-84.89	371.45	5.69	-79.20
CC1CC[NH+](CC(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029036188	0	58	0.0	-75.18	407.32	7.52	-67.66
C[NH+](C)CC1(C(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029036219	0	55	0.0	-80.34	389.43	6.48	-73.86
CC[N@H+](C)CCC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029036235	0	54	0.0	-75.67	384.97	6.34	-69.33
CC[N@@H+](C)CCC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029036235	1	54	0.0	-75.67	384.97	6.33	-69.34
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N(C(=O)C1C[NH+]3CCC1CC3)C2	REAL300029036252	0	56	0.0	-75.87	377.21	6.39	-69.48
C[NH+]1CCC(C(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029036292	0	55	0.0	-80.64	386.85	6.57	-74.07
CC[NH+](CC)CC(F)C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029036354	0	57	0.0	-73.22	397.22	6.56	-66.66
CCC(C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](CC)CC	REAL300029036387	0	60	0.0	-68.59	400.96	7.08	-61.51
CC1CCC[N@@H+]1CC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029036397	0	55	0.0	-74.41	389.66	6.82	-67.59
CC1CCC[N@H+]1CC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029036397	1	55	0.0	-73.30	383.11	6.44	-66.86
CC(C)[N@@H+]1CCCC1C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029036439	0	58	0.0	-70.81	384.01	6.10	-64.71
CC(C)[N@H+]1CCCC1C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029036439	1	58	0.0	-75.08	394.65	7.32	-67.76
CC1CC[N@H+](CC(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029036459	0	55	0.0	-73.66	390.17	6.74	-66.92
CC1CC[N@@H+](CC(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029036459	1	55	0.0	-76.39	390.69	6.89	-69.50
CC1(C)CC[N@H+](CC(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029036462	0	58	0.0	-75.65	409.36	7.35	-68.30
CC1(C)CC[N@@H+](CC(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029036462	1	58	0.0	-75.98	409.50	7.33	-68.65
C[N@H+](CC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300029036463	0	60	0.0	-76.95	413.05	7.52	-69.43
C[N@@H+](CC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300029036463	1	60	0.0	-77.14	414.57	7.59	-69.55
CC[C@@H](C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029036470	0	54	0.0	-74.02	368.18	5.91	-68.11
CC1=[NH+]C=CN1CC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029036581	1	50	0.0	-71.49	373.59	6.67	-64.82
CC[N@@H+]1CCOC(C(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029036637	1	56	0.0	-84.73	393.06	5.80	-78.93
CC[N@H+]1CCOC(C(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029036637	1	56	0.0	-89.28	395.39	5.94	-83.34
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N(C(=O)C1=CN3C=[NH+]C=C3C=C1)C2	REAL300029036661	0	50	0.0	-70.49	363.81	7.90	-62.59
CC1=C[NH+]=CN1CC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029036664	1	50	0.0	-75.82	374.36	7.35	-68.47
C[C@@H]1[C@H](C(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029036670	0	55	0.0	-79.75	380.02	6.04	-73.71
C[C@@H]1[C@H](C(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029036670	1	55	0.0	-82.15	384.47	6.60	-75.55
CC[C@@H]1[C@@H](C(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029036672	0	58	0.0	-79.57	397.59	6.60	-72.97
CC[C@@H]1[C@@H](C(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029036672	1	58	0.0	-79.41	403.17	6.89	-72.52
CC1CCC(C)[NH+]1CC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029036678	0	58	0.0	-71.48	400.31	6.93	-64.55
O=C(CCC[NH+]1CCCC1)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029036681	0	58	0.0	-77.03	414.54	7.62	-69.41
O=C(CC[NH+]1CCCCC1)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029036684	0	58	0.0	-76.93	406.83	7.53	-69.40
C[N@H+](CC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300029036766	0	55	0.0	-74.44	390.09	6.95	-67.49
C[N@@H+](CC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300029036766	1	55	0.0	-74.50	390.40	7.05	-67.45
C[NH+]1CCC(C(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029036795	0	55	0.0	-80.64	386.85	6.57	-74.07
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029036819	0	52	0.0	-75.76	359.32	5.59	-70.17
C[N@H+]1CCC[C@@H]1C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029036819	1	52	0.0	-72.44	366.06	5.80	-66.64
C[N@@H+]1CCCC1CCC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029036838	0	58	0.0	-75.25	406.32	7.12	-68.13
C[N@H+]1CCCC1CCC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029036838	1	58	0.0	-75.47	407.05	6.86	-68.61
CC1C(C(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029036946	0	55	0.0	-75.42	378.53	6.20	-69.22
CC1C(C(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029036946	1	55	0.0	-73.12	381.89	5.90	-67.22
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029036990	0	58	0.0	-72.10	402.32	6.60	-65.50
CC(C)(C)[N@H+]1CCC1C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029036990	1	58	0.0	-73.80	404.75	6.70	-67.10
C[C@@H](C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029037004	0	51	0.0	-75.88	358.81	5.29	-70.59
C=CCC(C)(C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029037018	0	58	0.0	-71.71	379.91	7.02	-64.69
O=C(CC[NH+]1CCCC1)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037035	0	55	0.0	-78.12	393.08	6.75	-71.37
C[N@H+](CCO)CC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037044	1	52	0.0	-78.41	372.08	2.39	-76.02
C[N@@H+](CCO)CC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037044	1	52	0.0	-77.40	372.68	2.48	-74.92
C[N@H+]1CC=C(CC(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029037095	0	56	0.0	-73.09	402.77	7.37	-65.72
C[N@@H+]1CC=C(CC(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029037095	1	56	0.0	-71.19	403.47	7.46	-63.73
C[S+](C)CCC(O)C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037103	0	54	0.0	-78.35	400.01	4.37	-73.98
CC1C[NH+](CC(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029037143	1	52	0.0	-77.97	376.51	6.31	-71.66
CC[N@@H+]1CCCC(C(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029037147	0	58	0.0	-74.37	402.04	7.09	-67.28
CC[N@H+]1CCCC(C(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029037147	1	58	0.0	-84.21	405.99	7.20	-77.01
NC1=[NH+]C=CC=C1CC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037151	0	51	0.0	-69.92	378.85	4.87	-65.05
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N(C(=O)C1CCC[N@@H+]1C1CC1)C2	REAL300029037157	0	56	0.0	-69.58	396.45	7.27	-62.31
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N(C(=O)C1CCC[N@H+]1C1CC1)C2	REAL300029037157	1	56	0.0	-75.31	391.49	6.54	-68.77
O=C(C=CC[NH+]1CCCC1)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037183	0	56	0.0	-73.20	403.83	7.42	-65.78
CC[N@H+](C)CC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037218	0	51	0.0	-77.07	361.72	5.63	-71.44
O=C(CN1CC2C=CC1C2)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037248	0	54	0.0	-71.89	383.17	6.96	-64.93
O=C(C[N@@H+]1CC2C=CC1C2)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037248	1	54	0.0	-70.36	383.68	6.94	-63.42
O=C(C[N@H+]1CC2C=CC1C2)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037248	1	54	0.0	-70.36	383.68	6.94	-63.42
CC(OCC[NH+](C)C)C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037325	0	58	0.0	-70.80	416.06	6.63	-64.17
C[NH+](C)CCOCCC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037332	0	58	0.0	-72.22	421.70	5.91	-66.31
COCCN(C)CC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037334	0	55	0.0	-77.04	394.93	4.88	-72.16
COCC[N@H+](C)CC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037334	1	55	0.0	-78.86	394.33	4.80	-74.06
COCC[N@@H+](C)CC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037334	1	55	0.0	-78.86	394.33	4.80	-74.06
CC(CCC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029037337	0	57	0.0	-72.75	402.29	6.83	-65.92
CC[N@H+](CC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029037352	0	55	0.0	-71.39	390.96	7.01	-64.38
O=C(C[N@@H+]1CC2CCC1C2)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037382	0	56	0.0	-79.62	389.12	7.03	-72.59
O=C(C[N@H+]1CC2CCC1C2)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037382	1	56	0.0	-79.62	389.12	7.03	-72.59
CC(C[NH+](C)C)C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037396	0	54	0.0	-78.46	378.20	6.06	-72.40
CCN1CCC1C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037426	0	52	0.0	-71.41	368.08	5.78	-65.63
CC[N@@H+]1CCC1C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037426	1	52	0.0	-73.98	368.13	5.49	-68.49
CC[N@H+]1CCC1C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037426	1	52	0.0	-73.98	368.13	5.49	-68.49
CCC(C)(C)[NH2+]C(C)C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037435	0	60	0.0	-75.05	401.11	5.22	-69.83
CNC1=NC(C)=CC=C1C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037460	0	54	0.0	-67.40	395.01	5.71	-61.69
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037460	1	54	0.0	-67.40	395.01	5.71	-61.69
CCCC(C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029037469	0	57	0.0	-75.21	390.57	6.64	-68.57
CC(CC[NH+](C)C)C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037486	0	57	0.0	-77.12	399.42	6.69	-70.43
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037542	0	58	0.0	-71.76	405.80	7.07	-64.69
C[N@H+]1CC(C)(C)CC1C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037542	1	58	0.0	-71.76	405.80	7.07	-64.69
C[NH+](C)CCCCCC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037544	0	60	0.0	-73.35	431.73	8.04	-65.31
CN1CCN(CC(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029037551	0	57	0.0	-75.70	403.83	4.52	-71.18
C[NH+]1CCN(CC(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029037551	1	57	0.0	-75.70	403.83	4.52	-71.18
CC1CN(C)CC(C(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029037599	0	56	0.0	-87.80	385.79	5.35	-82.45
CC1C[N@H+](C)CC(C(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029037599	1	56	0.0	-84.11	400.87	5.62	-78.49
CC1C[N@@H+](C)CC(C(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029037599	1	56	0.0	-84.11	400.87	5.62	-78.49
C[N@@H+]1CCCCC1C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037650	0	55	0.0	-75.30	369.30	5.83	-69.47
C[N@@H+]1CCC(=CC(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029037710	0	53	0.0	-74.31	381.78	6.55	-67.76
C[N@H+]1CCC(=CC(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029037710	1	53	0.0	-74.31	381.78	6.55	-67.76
O=C(CNC1=CC=[NH+]C=C1)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037713	0	51	0.0	-74.59	380.15	4.34	-70.25
C[N@@H+]1CCC[C@H]1C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037779	0	52	0.0	-74.42	362.43	5.62	-68.80
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029037861	0	55	0.0	-71.92	387.42	6.58	-65.34
C[N@@H+]1CC=CCC1CC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037869	0	56	0.0	-71.04	390.72	7.08	-63.96
C[N@H+]1CC=CCC1CC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037869	1	56	0.0	-67.55	391.55	7.03	-60.52
C[NH+](C)CCOCC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037904	0	55	0.0	-73.61	400.28	6.20	-67.41
[NH2+]=C1SC=CN1CC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037925	0	48	0.0	-70.96	371.23	5.24	-65.72
C[C@@H](OCC[NH+](C)C)C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037959	0	58	0.0	-70.90	417.05	6.66	-64.24
C[N@@H+]1CCCC(C(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029037982	0	55	0.0	-68.78	378.78	6.67	-62.11
C[N@H+]1CCCC(C(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029037982	1	55	0.0	-68.78	378.78	6.67	-62.11
O=C(C[NH+]1CCCCCC1)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037983	0	58	0.0	-75.53	394.97	7.13	-68.40
CN1C=C[N+](CC(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029037987	0	50	0.0	-72.92	375.12	8.53	-64.39
O=C(CN1CCC(O)CC1)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029038006	0	56	0.0	-79.62	397.56	3.55	-76.07
O=C(C[NH+]1CCC(O)CC1)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029038006	1	56	0.0	-79.62	397.56	3.55	-76.07
C[N@H+](CC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029038008	0	52	0.0	-73.94	373.84	6.48	-67.46
O=C(CC[N@H+]1CCC(F)C1)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029038011	0	55	0.0	-83.05	398.79	6.76	-76.29
CC(CC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300029038030	0	57	0.0	-74.84	402.06	7.12	-67.72
CN1CCOCC1CC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029038049	0	56	0.0	-72.89	387.17	4.80	-68.09
C[N@@H+]1CCOCC1CC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029038049	1	56	0.0	-70.23	387.16	4.73	-65.50
C[N@H+]1CCOCC1CC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029038049	1	56	0.0	-70.23	387.16	4.73	-65.50
CC1=CC(N)=NC=C1C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029038078	0	51	0.0	-79.23	376.04	4.35	-74.88
CC1=CC(N)=[NH+]C=C1C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029038078	1	51	0.0	-79.23	376.04	4.35	-74.88
CC1(O)CC[N@H+](CC(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029038104	0	56	0.0	-75.73	400.72	3.41	-72.32
C[NH+]1CC(CC(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029038130	0	52	0.0	-78.32	375.79	5.91	-72.41
C[N@H+](CCO)CCC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029038159	0	55	0.0	-74.80	395.29	3.10	-71.70
C[N@@H+](CCO)CCC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029038159	1	55	0.0	-74.80	395.29	3.10	-71.70
C[N@@H+]1CCCCC1CC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029038173	0	58	0.0	-78.79	403.01	7.27	-71.52
C[N@H+]1CCCCC1CC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029038173	1	58	0.0	-78.79	403.01	7.27	-71.52
CC1CCN1CC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029038187	0	52	0.0	-74.61	370.28	5.86	-68.75
CC1CC[N@@H+]1CC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029038187	1	52	0.0	-75.22	375.80	6.12	-69.10
CC1CC[N@H+]1CC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029038187	1	52	0.0	-75.22	375.80	6.12	-69.10
C[NH+](C)CC=CC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029038192	0	52	0.0	-74.66	379.16	6.26	-68.40
CC1(C)CN(CC(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029038197	0	55	0.0	-77.97	396.58	6.90	-71.07
CC1(C)C[NH+](CC(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029038197	1	55	0.0	-77.97	396.58	6.90	-71.07
C[NH+](C)CCSCC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029038217	0	55	0.0	-79.09	411.35	7.06	-72.03
O=C(C[N@H+]1CCCC1CO)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029038234	0	56	0.0	-76.75	397.69	3.59	-73.16
CC[NH+](CC)CC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029038238	0	54	0.0	-72.67	376.43	6.13	-66.54
O=C(CN1CCC1)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029038247	0	49	0.0	-77.22	355.02	5.45	-71.77
O=C(C[NH+]1CCC1)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029038247	1	49	0.0	-77.22	355.02	5.45	-71.77
CC[NH+](CC)CCC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029038272	0	57	0.0	-74.69	402.78	7.04	-67.65
CC(C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)N1CCC1	REAL300029038316	0	52	0.0	-71.44	359.74	5.42	-66.02
CC(C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300029038316	1	52	0.0	-71.44	359.74	5.42	-66.02
CCC(CC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300029038321	0	60	0.0	-79.39	419.76	7.72	-71.67
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029038353	0	55	0.0	-70.82	386.20	6.49	-64.33
C[NH+](C)CC(O)CC(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029038374	0	55	0.0	-78.20	397.61	4.07	-74.13
C=CCC(C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029038396	0	55	0.0	-71.46	379.40	6.21	-65.25
C[NH+](C)CCSCC(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029038466	0	55	0.0	-70.03	408.18	6.95	-63.08
CN(C)CC(=O)N1CCC[C@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038584	0	55	0.0	-72.14	424.00	4.08	-68.06
C[NH+](C)CC(=O)N1CCC[C@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038584	1	55	0.0	-72.14	424.00	4.08	-68.06
CCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038593	0	50	0.0	-72.67	379.26	3.84	-68.83
CCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038593	1	50	0.0	-72.67	379.26	3.84	-68.83
COCCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038594	0	54	0.0	-72.75	412.93	2.90	-69.85
COCCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038594	1	54	0.0	-72.75	412.93	2.90	-69.85
CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038595	0	47	0.0	-72.95	358.97	3.02	-69.93
CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038595	1	47	0.0	-72.95	358.97	3.02	-69.93
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029038596	0	51	0.0	-72.67	389.78	4.61	-68.06
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029038596	1	51	0.0	-72.67	389.78	4.61	-68.06
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300029038597	0	54	0.0	-72.57	405.99	5.11	-67.46
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300029038597	1	54	0.0	-72.57	405.99	5.11	-67.46
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCCC1	REAL300029038598	0	57	0.0	-72.66	423.01	5.70	-66.96
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCCC1	REAL300029038598	1	57	0.0	-72.66	423.01	5.70	-66.96
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCOCC1	REAL300029038599	0	58	0.0	-74.84	431.56	3.99	-70.85
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCOCC1	REAL300029038599	1	58	0.0	-74.84	431.56	3.99	-70.85
O=C(CC1CC1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038600	0	54	0.0	-72.95	410.20	5.38	-67.57
O=C(CC1CC1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038600	1	54	0.0	-72.95	410.20	5.38	-67.57
CC(C)(F)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038601	0	53	0.0	-71.94	406.08	4.50	-67.44
CC(C)(F)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038601	1	53	0.0	-71.94	406.08	4.50	-67.44
CC(F)(F)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038602	0	50	0.0	-70.18	391.11	4.03	-66.15
CC(F)(F)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038602	1	50	0.0	-70.18	391.11	4.03	-66.15
COCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038603	0	51	0.0	-76.16	391.98	3.20	-72.96
COCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038603	1	51	0.0	-76.16	391.98	3.20	-72.96
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CC=N1	REAL300029038604	0	53	0.0	-72.71	411.86	4.44	-68.27
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CC=N1	REAL300029038604	1	53	0.0	-72.71	411.86	4.44	-68.27
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=NC=C1	REAL300029038605	0	53	0.0	-75.61	409.83	4.38	-71.23
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=NC=C1	REAL300029038605	1	53	0.0	-75.61	409.83	4.38	-71.23
CCCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038606	0	53	0.0	-72.56	400.75	4.60	-67.96
CCCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038606	1	53	0.0	-72.56	400.75	4.60	-67.96
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CN=C1	REAL300029038607	0	53	0.0	-74.19	409.64	4.37	-69.82
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CN=C1	REAL300029038607	1	53	0.0	-74.19	409.64	4.37	-69.82
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CO1	REAL300029038608	0	51	0.0	-73.44	398.88	4.15	-69.29
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CO1	REAL300029038608	1	51	0.0	-73.44	398.88	4.15	-69.29
CC(=O)NCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038609	0	54	0.0	-75.10	417.91	1.52	-73.58
CC(=O)NCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038609	1	54	0.0	-75.10	417.91	1.52	-73.58
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CC=C1	REAL300029038610	0	54	0.0	-74.42	414.65	6.14	-68.28
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CC=C1	REAL300029038610	1	54	0.0	-74.42	414.65	6.14	-68.28
CC(C)CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038611	0	56	0.0	-71.90	417.48	5.19	-66.71
CC(C)CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038611	1	56	0.0	-71.90	417.48	5.19	-66.71
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCCCC1	REAL300029038612	0	60	0.0	-72.62	440.44	6.39	-66.23
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCCCC1	REAL300029038612	1	60	0.0	-72.62	440.44	6.39	-66.23
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN=CC=N1	REAL300029038613	0	52	0.0	-73.91	406.65	2.55	-71.36
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN=CC=N1	REAL300029038613	1	52	0.0	-73.91	406.65	2.55	-71.36
O=C(CC1CCCC1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038614	0	60	0.0	-72.18	442.46	6.45	-65.73
O=C(CC1CCCC1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038614	1	60	0.0	-72.18	442.46	6.45	-65.73
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CS1	REAL300029038615	0	51	0.0	-73.20	406.80	5.15	-68.05
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CS1	REAL300029038615	1	51	0.0	-73.20	406.80	5.15	-68.05
CC1CC1C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038616	0	54	0.0	-71.73	405.70	5.33	-66.40
CC1CC1C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038616	1	54	0.0	-71.73	405.70	5.33	-66.40
CCOCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038617	0	54	0.0	-76.18	413.83	4.16	-72.02
CCOCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038617	1	54	0.0	-76.18	413.83	4.16	-72.02
CC(C)=CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038618	0	54	0.0	-71.39	408.64	5.13	-66.26
CC(C)=CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038618	1	54	0.0	-71.39	408.64	5.13	-66.26
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=COCCO1	REAL300029038619	0	54	0.0	-78.60	412.81	3.78	-74.82
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=COCCO1	REAL300029038619	1	54	0.0	-78.60	412.81	3.78	-74.82
CC(=O)NC(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038620	0	57	0.0	-74.77	437.48	2.37	-72.40
CC(=O)NC(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038620	1	57	0.0	-74.77	437.48	2.37	-72.40
CC1=CC=C(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300029038621	0	54	0.0	-72.90	420.79	4.97	-67.93
CC1=CC=C(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300029038621	1	54	0.0	-72.90	420.79	4.97	-67.93
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCCO1	REAL300029038622	0	55	0.0	-76.28	415.39	4.43	-71.85
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCCO1	REAL300029038622	1	55	0.0	-76.28	415.39	4.43	-71.85
CSCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038623	0	51	0.0	-75.40	402.32	4.26	-71.14
CSCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038623	1	51	0.0	-75.40	402.32	4.26	-71.14
CC1=CC(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=NO1	REAL300029038624	0	53	0.0	-72.40	415.29	4.22	-68.18
CC1=CC(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=NO1	REAL300029038624	1	53	0.0	-72.40	415.29	4.22	-68.18
CSCCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038625	0	54	0.0	-72.16	423.99	5.07	-67.09
CSCCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038625	1	54	0.0	-72.16	423.99	5.07	-67.09
CC(C)CCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038626	0	59	0.0	-72.55	439.82	5.89	-66.66
CC(C)CCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038626	1	59	0.0	-72.55	439.82	5.89	-66.66
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CSC=C1	REAL300029038627	0	51	0.0	-74.26	405.99	5.05	-69.21
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CSC=C1	REAL300029038627	1	51	0.0	-74.26	405.99	5.05	-69.21
CC1=C(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C=CO1	REAL300029038628	0	54	0.0	-73.63	416.32	4.92	-68.71
CC1=C(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C=CO1	REAL300029038628	1	54	0.0	-73.63	416.32	4.92	-68.71
O=C(CC1C=CCC1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038629	0	58	0.0	-72.77	434.85	6.35	-66.42
O=C(CC1C=CCC1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038629	1	58	0.0	-72.77	434.85	6.35	-66.42
O=C(CN1C=NN=N1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038630	0	52	0.0	-87.61	408.05	3.36	-84.25
O=C(CN1C=NN=N1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038630	1	52	0.0	-87.61	408.05	3.36	-84.25
CN1C=C(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C=N1	REAL300029038631	0	54	0.0	-75.67	419.69	3.89	-71.78
CN1C=C(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C=N1	REAL300029038631	1	54	0.0	-75.67	419.69	3.89	-71.78
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC=CCC1	REAL300029038632	0	58	0.0	-72.38	432.79	6.28	-66.10
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC=CCC1	REAL300029038632	1	58	0.0	-72.38	432.79	6.28	-66.10
CC1=NOC(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300029038633	0	53	0.0	-72.42	415.32	4.17	-68.25
CC1=NOC(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300029038633	1	53	0.0	-72.42	415.32	4.17	-68.25
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CN1	REAL300029038634	0	52	0.0	-76.44	401.76	3.94	-72.50
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CN1	REAL300029038634	1	52	0.0	-76.44	401.76	3.94	-72.50
CC(=O)CCCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038635	0	58	0.0	-80.92	445.34	5.30	-75.62
CC(=O)CCCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038635	1	58	0.0	-80.92	445.34	5.30	-75.62
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=COC=C1	REAL300029038636	0	51	0.0	-77.18	398.04	4.11	-73.07
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=COC=C1	REAL300029038636	1	51	0.0	-77.18	398.04	4.11	-73.07
O=C(CN1C=CC=N1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038637	0	54	0.0	-79.95	419.47	4.24	-75.71
O=C(CN1C=CC=N1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038637	1	54	0.0	-79.95	419.47	4.24	-75.71
CC1=C(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)OC=C1	REAL300029038638	0	54	0.0	-72.96	416.77	4.83	-68.13
CC1=C(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)OC=C1	REAL300029038638	1	54	0.0	-72.96	416.77	4.83	-68.13
CCCCCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038639	0	59	0.0	-72.56	443.75	6.17	-66.39
CCCCCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038639	1	59	0.0	-72.56	443.75	6.17	-66.39
CC(C)(C)CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038640	0	59	0.0	-71.00	432.46	5.71	-65.29
CC(C)(C)CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038640	1	59	0.0	-71.00	432.46	5.71	-65.29
CN1C=CC=C1C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038641	0	55	0.0	-73.36	419.77	5.58	-67.78
CN1C=CC=C1C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038641	1	55	0.0	-73.36	419.77	5.58	-67.78
CCCCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038642	0	56	0.0	-72.69	422.25	5.38	-67.31
CCCCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038642	1	56	0.0	-72.69	422.25	5.38	-67.31
CC(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038643	0	53	0.0	-72.60	398.81	4.51	-68.09
CC(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038643	1	53	0.0	-72.60	398.81	4.51	-68.09
CCC(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038644	0	56	0.0	-72.53	416.95	5.16	-67.37
CCC(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038644	1	56	0.0	-72.53	416.95	5.16	-67.37
CC(C)SCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038645	0	57	0.0	-75.04	442.06	5.79	-69.25
CC(C)SCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038645	1	57	0.0	-75.04	442.06	5.79	-69.25
CC(=O)N(C)CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038646	0	57	0.0	-76.92	436.20	3.90	-73.02
CC(=O)N(C)CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038646	1	57	0.0	-76.92	436.20	3.90	-73.02
CCC(CC)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038647	0	59	0.0	-72.23	435.25	5.93	-66.30
CCC(CC)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038647	1	59	0.0	-72.23	435.25	5.93	-66.30
CC(C)OCCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038648	0	60	0.0	-72.49	455.06	4.62	-67.87
CC(C)OCCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038648	1	60	0.0	-72.49	455.06	4.62	-67.87
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1COCCO1	REAL300029038649	0	56	0.0	-76.67	424.20	3.20	-73.47
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1COCCO1	REAL300029038649	1	56	0.0	-76.67	424.20	3.20	-73.47
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=NN1	REAL300029038650	0	51	0.0	-74.90	396.47	2.62	-72.28
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=NN1	REAL300029038650	1	51	0.0	-74.90	396.47	2.62	-72.28
CSC(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038651	0	54	0.0	-75.13	420.77	4.83	-70.30
CSC(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038651	1	54	0.0	-75.13	420.77	4.83	-70.30
CCOC(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038652	0	57	0.0	-76.33	432.82	4.91	-71.42
CCOC(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038652	1	57	0.0	-76.33	432.82	4.91	-71.42
CCOCCCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038653	0	60	0.0	-75.17	456.28	4.64	-70.53
CCOCCCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038653	1	60	0.0	-75.17	456.28	4.64	-70.53
O=C(COCC1CC1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038654	0	58	0.0	-76.34	445.51	5.74	-70.60
O=C(COCC1CC1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038654	1	58	0.0	-76.34	445.51	5.74	-70.60
O=C(CC1CCCO1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038655	0	58	0.0	-75.17	435.82	4.58	-70.59
O=C(CC1CCCO1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038655	1	58	0.0	-75.17	435.82	4.58	-70.59
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CNN=C1	REAL300029038656	0	51	0.0	-75.09	396.76	2.58	-72.51
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CNN=C1	REAL300029038656	1	51	0.0	-75.09	396.76	2.58	-72.51
COCCCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038657	0	57	0.0	-75.29	434.43	3.67	-71.62
COCCCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038657	1	57	0.0	-75.29	434.43	3.67	-71.62
CCSCCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038658	0	57	0.0	-72.06	445.45	5.96	-66.10
CCSCCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038658	1	57	0.0	-72.06	445.45	5.96	-66.10
CCOC1CC1C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038659	0	58	0.0	-71.95	445.34	4.50	-67.45
CCOC1CC1C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038659	1	58	0.0	-71.95	445.34	4.50	-67.45
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NSN=C1	REAL300029038660	0	49	0.0	-71.40	395.60	2.09	-69.31
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NSN=C1	REAL300029038660	1	49	0.0	-71.40	395.60	2.09	-69.31
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN=NS1	REAL300029038661	0	49	0.0	-75.40	396.93	2.75	-72.65
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN=NS1	REAL300029038661	1	49	0.0	-75.40	396.93	2.75	-72.65
COC(=O)NCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038662	0	55	0.0	-75.10	428.76	0.93	-74.17
COC(=O)NCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038662	1	55	0.0	-75.10	428.76	0.93	-74.17
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NOC=C1	REAL300029038663	0	50	0.0	-73.20	393.35	3.38	-69.82
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NOC=C1	REAL300029038663	1	50	0.0	-73.20	393.35	3.38	-69.82
CCCSCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038664	0	57	0.0	-74.93	445.28	5.95	-68.98
CCCSCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038664	1	57	0.0	-74.93	445.28	5.95	-68.98
CC(=CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029038665	0	58	0.0	-71.21	436.97	6.59	-64.62
CC(=CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029038665	1	58	0.0	-71.21	436.97	6.59	-64.62
CC1=NNC(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300029038666	0	54	0.0	-75.03	418.40	3.19	-71.84
CC1=NNC(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300029038666	1	54	0.0	-75.03	418.40	3.19	-71.84
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN=CS1	REAL300029038667	0	50	0.0	-75.17	401.81	3.29	-71.88
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN=CS1	REAL300029038667	1	50	0.0	-75.17	401.81	3.29	-71.88
CCC=C(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038668	0	57	0.0	-72.90	427.98	5.89	-67.01
CCC=C(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038668	1	57	0.0	-72.90	427.98	5.89	-67.01
CC1=C(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)N=CO1	REAL300029038669	0	53	0.0	-72.65	411.66	1.56	-71.09
CC1=C(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)N=CO1	REAL300029038669	1	53	0.0	-72.65	411.66	1.56	-71.09
CCOC(CC)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038670	0	60	0.0	-76.15	451.63	5.64	-70.51
CCOC(CC)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038670	1	60	0.0	-76.15	451.63	5.64	-70.51
O=C(CC(F)(F)F)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038671	0	50	0.0	-76.73	396.68	4.25	-72.48
O=C(CC(F)(F)F)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038671	1	50	0.0	-76.73	396.68	4.25	-72.48
COC(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038672	0	54	0.0	-76.37	410.97	3.96	-72.41
COC(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038672	1	54	0.0	-76.37	410.97	3.96	-72.41
CC(C)OCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038673	0	57	0.0	-76.03	434.11	4.89	-71.14
CC(C)OCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038673	1	57	0.0	-76.03	434.11	4.89	-71.14
CCCOCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038674	0	57	0.0	-75.99	435.33	4.96	-71.03
CCCOCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038674	1	57	0.0	-75.99	435.33	4.96	-71.03
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCOC1	REAL300029038675	0	55	0.0	-73.91	413.28	3.14	-70.77
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCOC1	REAL300029038675	1	55	0.0	-73.91	413.28	3.14	-70.77
CN1N=CC=C1C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038676	0	54	0.0	-75.51	416.34	3.96	-71.55
CN1N=CC=C1C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038676	1	54	0.0	-75.51	416.34	3.96	-71.55
CCC(OC)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038677	0	57	0.0	-76.17	429.80	4.70	-71.47
CCC(OC)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038677	1	57	0.0	-76.17	429.80	4.70	-71.47
COCCCCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038678	0	60	0.0	-73.37	455.93	4.45	-68.92
COCCCCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038678	1	60	0.0	-73.37	455.93	4.45	-68.92
CCCC(C)CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038679	0	62	0.0	-71.80	457.21	6.61	-65.19
CCCC(C)CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038679	1	62	0.0	-71.80	457.21	6.61	-65.19
COC(C)CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038680	0	57	0.0	-73.11	432.07	4.43	-68.68
COC(C)CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038680	1	57	0.0	-73.11	432.07	4.43	-68.68
C=CCCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038681	0	54	0.0	-72.39	413.57	5.16	-67.23
C=CCCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038681	1	54	0.0	-72.39	413.57	5.16	-67.23
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=COCCC1	REAL300029038682	0	56	0.0	-73.32	420.85	4.44	-68.88
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=COCCC1	REAL300029038682	1	56	0.0	-73.32	420.85	4.44	-68.88
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCCOC1	REAL300029038683	0	58	0.0	-72.62	431.49	3.99	-68.63
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCCOC1	REAL300029038683	1	58	0.0	-72.62	431.49	3.99	-68.63
CCOCCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038684	0	57	0.0	-72.60	434.78	3.88	-68.72
CCOCCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038684	1	57	0.0	-72.60	434.78	3.88	-68.72
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CSC=N1	REAL300029038685	0	50	0.0	-72.62	401.90	3.14	-69.48
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CSC=N1	REAL300029038685	1	50	0.0	-72.62	401.90	3.14	-69.48
COCC(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038686	0	57	0.0	-72.79	431.65	3.63	-69.16
COCC(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038686	1	57	0.0	-72.79	431.65	3.63	-69.16
C=CCOCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038687	0	55	0.0	-76.49	426.73	4.73	-71.76
C=CCOCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038687	1	55	0.0	-76.49	426.73	4.73	-71.76
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=COC=N1	REAL300029038688	0	50	0.0	-73.33	393.66	0.74	-72.59
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=COC=N1	REAL300029038688	1	50	0.0	-73.33	393.66	0.74	-72.59
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@H]1CCC(=O)N1	REAL300029038689	0	55	0.0	-82.46	421.60	1.73	-80.73
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@H]1CCC(=O)N1	REAL300029038689	1	55	0.0	-82.46	421.60	1.73	-80.73
CC1=NC=C(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300029038690	0	54	0.0	-77.95	418.57	3.52	-74.43
CC1=NC=C(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300029038690	1	54	0.0	-77.95	418.57	3.52	-74.43
CSCC(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038691	0	57	0.0	-72.22	441.41	5.65	-66.57
CSCC(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038691	1	57	0.0	-72.22	441.41	5.65	-66.57
CCC(=O)NCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038693	0	57	0.0	-74.67	438.22	2.33	-72.34
CCC(=O)NCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038693	1	57	0.0	-74.67	438.22	2.33	-72.34
CC(C)(C)C=CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038694	0	60	0.0	-72.35	450.76	6.24	-66.11
CC(C)(C)C=CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038694	1	60	0.0	-72.35	450.76	6.24	-66.11
COCCOCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038695	0	58	0.0	-78.82	447.46	3.41	-75.41
COCCOCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038695	1	58	0.0	-78.82	447.46	3.41	-75.41
CCCC(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038696	0	59	0.0	-72.56	438.43	5.91	-66.65
CCCC(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038696	1	59	0.0	-72.56	438.43	5.91	-66.65
O=C(CCC1CC1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038697	0	57	0.0	-72.82	432.37	6.17	-66.65
O=C(CCC1CC1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038697	1	57	0.0	-72.82	432.37	6.17	-66.65
CCCCOCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038698	0	60	0.0	-75.93	456.83	5.74	-70.19
CCCCOCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038698	1	60	0.0	-75.93	456.83	5.74	-70.19
O=C(CC1=NOC=C1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038699	0	53	0.0	-78.74	413.51	4.18	-74.56
O=C(CC1=NOC=C1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038699	1	53	0.0	-78.74	413.51	4.18	-74.56
O=C(CC1CCOC1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038700	0	58	0.0	-74.78	433.61	3.88	-70.90
O=C(CC1CCOC1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038700	1	58	0.0	-74.78	433.61	3.88	-70.90
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC=CC1	REAL300029038701	0	55	0.0	-72.72	414.84	5.60	-67.12
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC=CC1	REAL300029038701	1	55	0.0	-72.72	414.84	5.60	-67.12
O=C(CC1=NNC=C1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038702	0	54	0.0	-78.24	418.33	3.26	-74.98
O=C(CC1=NNC=C1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038702	1	54	0.0	-78.24	418.33	3.26	-74.98
O=C(CC1CCC1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038703	0	57	0.0	-72.66	427.06	5.91	-66.75
O=C(CC1CCC1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038703	1	57	0.0	-72.66	427.06	5.91	-66.75
CC1=C(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)OC=N1	REAL300029038704	0	53	0.0	-74.54	411.64	1.47	-73.07
CC1=C(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)OC=N1	REAL300029038704	1	53	0.0	-74.54	411.64	1.47	-73.07
CC(C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029038705	0	57	0.0	-72.25	428.74	5.99	-66.26
CC(C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029038705	1	57	0.0	-72.25	428.74	5.99	-66.26
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1C2CCCC21	REAL300029038706	0	58	0.0	-72.30	427.76	6.65	-65.65
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1C2CCCC21	REAL300029038706	1	58	0.0	-72.30	427.76	6.65	-65.65
O=C(CCC1CCC1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038707	0	60	0.0	-72.62	448.93	6.69	-65.93
O=C(CCC1CCC1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038707	1	60	0.0	-72.62	448.93	6.69	-65.93
CC=C(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038708	0	54	0.0	-72.97	407.57	5.12	-67.85
CC=C(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038708	1	54	0.0	-72.97	407.57	5.12	-67.85
CC1CC(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029038709	0	57	0.0	-72.56	426.92	5.76	-66.80
CC1CC(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029038709	1	57	0.0	-72.56	426.92	5.76	-66.80
O=C(C=C1CCC1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038710	0	55	0.0	-72.36	418.42	5.83	-66.53
O=C(C=C1CCC1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038710	1	55	0.0	-72.36	418.42	5.83	-66.53
CCC(=CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)CC	REAL300029038711	0	60	0.0	-70.44	448.56	6.64	-63.80
CCC(=CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)CC	REAL300029038711	1	60	0.0	-70.44	448.56	6.64	-63.80
CC(C)=C(F)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038712	0	54	0.0	-69.77	413.51	5.21	-64.56
CC(C)=C(F)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038712	1	54	0.0	-69.77	413.51	5.21	-64.56
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CCCC1	REAL300029038713	0	55	0.0	-72.84	415.87	5.70	-67.14
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CCCC1	REAL300029038713	1	55	0.0	-72.84	415.87	5.70	-67.14
CN1C=CC(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300029038714	0	55	0.0	-74.66	424.68	5.74	-68.92
CN1C=CC(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300029038714	1	55	0.0	-74.66	424.68	5.74	-68.92
CN1C=NC(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300029038715	0	54	0.0	-74.55	420.22	5.36	-69.19
CN1C=NC(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300029038715	1	54	0.0	-74.55	420.22	5.36	-69.19
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCCCO1	REAL300029038716	0	58	0.0	-76.29	433.17	5.22	-71.07
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCCCO1	REAL300029038716	1	58	0.0	-76.29	433.17	5.22	-71.07
CCC(SC)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038717	0	57	0.0	-73.99	441.15	5.82	-68.17
CCC(SC)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038717	1	57	0.0	-73.99	441.15	5.82	-68.17
CC1(C)CC1C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038718	0	57	0.0	-71.59	426.38	5.83	-65.76
CC1(C)CC1C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038718	1	57	0.0	-71.59	426.38	5.83	-65.76
CCC(C)OCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038719	0	60	0.0	-75.76	454.87	5.69	-70.07
CCC(C)OCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038719	1	60	0.0	-75.76	454.87	5.69	-70.07
CC1(C)C[C@@H]1C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038720	0	57	0.0	-71.54	426.39	5.83	-65.71
CC1(C)C[C@@H]1C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038720	1	57	0.0	-71.54	426.39	5.83	-65.71
CSC(C)CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038721	0	57	0.0	-72.80	439.81	5.63	-67.17
CSC(C)CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038721	1	57	0.0	-72.80	439.81	5.63	-67.17
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CCCO1	REAL300029038722	0	55	0.0	-76.27	415.37	4.44	-71.83
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CCCO1	REAL300029038722	1	55	0.0	-76.27	415.37	4.44	-71.83
C#CCCCCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038723	0	58	0.0	-73.55	449.53	6.68	-66.87
C#CCCCCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038723	1	58	0.0	-73.55	449.53	6.68	-66.87
CCNC(=O)CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038724	0	57	0.0	-83.42	436.83	3.73	-79.69
CCNC(=O)CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038724	1	57	0.0	-83.42	436.83	3.73	-79.69
COC(C)CCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038725	0	60	0.0	-73.63	453.97	4.45	-69.18
COC(C)CCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038725	1	60	0.0	-73.63	453.97	4.45	-69.18
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN=CN=C1	REAL300029038726	0	52	0.0	-75.31	404.58	4.19	-71.12
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN=CN=C1	REAL300029038726	1	52	0.0	-75.31	404.58	4.19	-71.12
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CCOCC1	REAL300029038727	0	56	0.0	-74.37	421.98	3.96	-70.41
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CCOCC1	REAL300029038727	1	56	0.0	-74.37	421.98	3.96	-70.41
O=C(CC1=COC=C1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038728	0	54	0.0	-75.89	420.01	4.78	-71.11
O=C(CC1=COC=C1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038728	1	54	0.0	-75.89	420.01	4.78	-71.11
CC1=NC(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CO1	REAL300029038729	0	53	0.0	-72.67	415.65	1.48	-71.19
CC1=NC(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CO1	REAL300029038729	1	53	0.0	-72.67	415.65	1.48	-71.19
C[C@H](NC(N)=O)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038730	0	56	0.0	-75.68	430.42	-0.41	-76.09
C[C@H](NC(N)=O)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038730	1	56	0.0	-75.68	430.42	-0.41	-76.09
CC1=CC(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CO1	REAL300029038731	0	54	0.0	-77.05	419.95	4.94	-72.11
CC1=CC(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CO1	REAL300029038731	1	54	0.0	-77.05	419.95	4.94	-72.11
CCC(C)CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038732	0	59	0.0	-71.89	435.71	5.85	-66.04
CCC(C)CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038732	1	59	0.0	-71.89	435.71	5.85	-66.04
C#CCCCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038733	0	55	0.0	-75.46	428.03	5.90	-69.56
C#CCCCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038733	1	55	0.0	-75.46	428.03	5.90	-69.56
CC(C)(O)CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038734	0	57	0.0	-72.12	423.73	3.25	-68.87
CC(C)(O)CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038734	1	57	0.0	-72.12	423.73	3.25	-68.87
COC(C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029038735	0	58	0.0	-75.71	440.77	5.54	-70.17
COC(C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029038735	1	58	0.0	-75.71	440.77	5.54	-70.17
CN1N=NC=C1C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038736	0	53	0.0	-76.52	409.75	2.50	-74.02
CN1N=NC=C1C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038736	1	53	0.0	-76.52	409.75	2.50	-74.02
CCCCC(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038737	0	62	0.0	-72.47	459.93	6.69	-65.78
CCCCC(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038737	1	62	0.0	-72.47	459.93	6.69	-65.78
CC1(C)CC(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029038738	0	60	0.0	-72.46	446.28	6.21	-66.25
CC1(C)CC(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029038738	1	60	0.0	-72.46	446.28	6.21	-66.25
CC(C)[C@@H](O)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038739	0	57	0.0	-74.19	426.94	3.63	-70.56
CC(C)[C@@H](O)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038739	1	57	0.0	-74.19	426.94	3.63	-70.56
CN1C=C(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)N=N1	REAL300029038740	0	53	0.0	-74.11	415.71	2.45	-71.66
CN1C=C(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)N=N1	REAL300029038740	1	53	0.0	-74.11	415.71	2.45	-71.66
CN1C=NC(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300029038741	0	53	0.0	-79.12	415.15	4.56	-74.56
CN1C=NC(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300029038741	1	53	0.0	-79.12	415.15	4.56	-74.56
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1(F)F	REAL300029038742	0	51	0.0	-76.21	401.27	4.80	-71.41
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1(F)F	REAL300029038742	1	51	0.0	-76.21	401.27	4.80	-71.41
CCC(C)=CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038743	0	57	0.0	-71.18	430.26	5.92	-65.26
CCC(C)=CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038743	1	57	0.0	-71.18	430.26	5.92	-65.26
CC(C)C#CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038744	0	55	0.0	-73.40	428.65	5.86	-67.54
CC(C)C#CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038744	1	55	0.0	-73.40	428.65	5.86	-67.54
O=C(CC1(O)CCC1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038745	0	58	0.0	-73.71	434.07	3.93	-69.78
O=C(CC1(O)CCC1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038745	1	58	0.0	-73.71	434.07	3.93	-69.78
CC1=CNN=C1C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038746	0	54	0.0	-74.06	415.92	3.28	-70.78
CC1=CNN=C1C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038746	1	54	0.0	-74.06	415.92	3.28	-70.78
CC(C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)=C1CCC1	REAL300029038747	0	58	0.0	-72.75	436.14	6.59	-66.16
CC(C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)=C1CCC1	REAL300029038747	1	58	0.0	-72.75	436.14	6.59	-66.16
O=C(C#CC1CC1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038748	0	53	0.0	-73.72	418.32	6.04	-67.68
O=C(C#CC1CC1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038748	1	53	0.0	-73.72	418.32	6.04	-67.68
CC(C)(C)C#CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038749	0	58	0.0	-73.37	448.79	6.39	-66.98
CC(C)(C)C#CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038749	1	58	0.0	-73.37	448.79	6.39	-66.98
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-]	REAL300029038750	0	53	0.0	-74.42	418.88	4.98	-69.44
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-]	REAL300029038750	1	53	0.0	-74.42	418.88	4.98	-69.44
NC(=O)NCCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038751	0	56	0.0	-83.48	432.99	-0.65	-84.13
NC(=O)NCCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038751	1	56	0.0	-83.48	432.99	-0.65	-84.13
CC1CCC(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029038752	0	60	0.0	-72.60	443.22	6.34	-66.26
CC1CCC(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029038752	1	60	0.0	-72.60	443.22	6.34	-66.26
C#CCOCCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038753	0	56	0.0	-73.99	440.57	4.42	-69.57
C#CCOCCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038753	1	56	0.0	-73.99	440.57	4.42	-69.57
C#CCOC(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038754	0	56	0.0	-79.05	438.61	5.45	-73.60
C#CCOC(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038754	1	56	0.0	-79.05	438.61	5.45	-73.60
C=CCC(C)(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038755	0	60	0.0	-72.48	446.85	6.17	-66.31
C=CCC(C)(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038755	1	60	0.0	-72.48	446.85	6.17	-66.31
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC12CCC2	REAL300029038756	0	58	0.0	-72.11	437.09	6.54	-65.57
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC12CCC2	REAL300029038756	1	58	0.0	-72.11	437.09	6.54	-65.57
CN(C)C(=O)CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038757	0	57	0.0	-84.23	433.12	4.82	-79.41
CN(C)C(=O)CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038757	1	57	0.0	-84.23	433.12	4.82	-79.41
CN1C=CC(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300029038758	0	54	0.0	-75.15	420.27	3.93	-71.22
CN1C=CC(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300029038758	1	54	0.0	-75.15	420.27	3.93	-71.22
COCCC(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038759	0	60	0.0	-75.17	450.60	4.21	-70.96
COCCC(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038759	1	60	0.0	-75.17	450.60	4.21	-70.96
O=C(CN1N=CN=N1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038760	0	52	0.0	-81.44	409.59	2.99	-78.45
O=C(CN1N=CN=N1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038760	1	52	0.0	-81.44	409.59	2.99	-78.45
CCCC[C@@H](C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038761	0	62	0.0	-72.47	459.93	6.69	-65.78
CCCC[C@@H](C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038761	1	62	0.0	-72.47	459.93	6.69	-65.78
CCC(C)(C)CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038762	0	62	0.0	-70.87	446.67	6.20	-64.67
CCC(C)(C)CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038762	1	62	0.0	-70.87	446.67	6.20	-64.67
CC(C)C(C)(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038763	0	62	0.0	-71.94	444.44	6.01	-65.93
CC(C)C(C)(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038763	1	62	0.0	-71.94	444.44	6.01	-65.93
C=CC(C)(C)CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038764	0	60	0.0	-70.77	441.11	6.10	-64.67
C=CC(C)(C)CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038764	1	60	0.0	-70.77	441.11	6.10	-64.67
O=C(CN1N=CC=N1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038765	0	53	0.0	-80.07	414.88	2.61	-77.46
O=C(CN1N=CC=N1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038765	1	53	0.0	-80.07	414.88	2.61	-77.46
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1C[C@H]1C1CC1	REAL300029038766	0	58	0.0	-70.52	444.86	6.96	-63.56
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1C[C@H]1C1CC1	REAL300029038766	1	58	0.0	-70.52	444.86	6.96	-63.56
CCC(C)(CC)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038767	0	62	0.0	-72.64	447.85	6.05	-66.59
CCC(C)(CC)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038767	1	62	0.0	-72.64	447.85	6.05	-66.59
C=C(C)CCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038768	0	57	0.0	-72.17	434.91	5.82	-66.35
C=C(C)CCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038768	1	57	0.0	-72.17	434.91	5.82	-66.35
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=NS1	REAL300029038769	0	50	0.0	-73.59	401.87	3.78	-69.81
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=NS1	REAL300029038769	1	50	0.0	-73.59	401.87	3.78	-69.81
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@]12C[C@H]1COC2	REAL300029038770	0	56	0.0	-72.87	426.94	3.94	-68.93
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@]12C[C@H]1COC2	REAL300029038770	1	56	0.0	-72.87	426.94	3.94	-68.93
CC1(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029038771	0	54	0.0	-72.70	407.53	5.21	-67.49
CC1(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029038771	1	54	0.0	-72.70	407.53	5.21	-67.49
CNC(=O)NCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038772	0	56	0.0	-76.01	432.78	0.16	-75.85
CNC(=O)NCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038772	1	56	0.0	-76.01	432.78	0.16	-75.85
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@H]1CCCO1	REAL300029038773	0	55	0.0	-77.46	415.68	4.42	-73.04
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@H]1CCCO1	REAL300029038773	1	55	0.0	-77.46	415.68	4.42	-73.04
CC(CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029038774	0	60	0.0	-71.75	447.17	6.65	-65.10
CC(CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029038774	1	60	0.0	-71.75	447.17	6.65	-65.10
CC(C)(C(N)=O)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038775	0	57	0.0	-83.81	429.28	2.68	-81.13
CC(C)(C(N)=O)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038775	1	57	0.0	-83.81	429.28	2.68	-81.13
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(C2CC2)CC1	REAL300029038776	0	58	0.0	-72.43	431.44	6.81	-65.62
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(C2CC2)CC1	REAL300029038776	1	58	0.0	-72.43	431.44	6.81	-65.62
COC1CC(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029038777	0	58	0.0	-75.74	439.46	4.05	-71.69
COC1CC(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029038777	1	58	0.0	-75.74	439.46	4.05	-71.69
C=CCCOCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038778	0	58	0.0	-75.82	448.14	5.52	-70.30
C=CCCOCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038778	1	58	0.0	-75.82	448.14	5.52	-70.30
C=CCOC(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038779	0	58	0.0	-76.62	445.72	5.49	-71.13
C=CCOC(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038779	1	58	0.0	-76.62	445.72	5.49	-71.13
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NSC=C1	REAL300029038780	0	50	0.0	-71.86	401.14	3.61	-68.25
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NSC=C1	REAL300029038780	1	50	0.0	-71.86	401.14	3.61	-68.25
CC(C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300029038781	0	60	0.0	-72.07	445.12	6.50	-65.57
CC(C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300029038781	1	60	0.0	-72.07	445.12	6.50	-65.57
CC1CC(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CO1	REAL300029038782	0	58	0.0	-73.68	435.19	3.96	-69.72
CC1CC(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CO1	REAL300029038782	1	58	0.0	-73.68	435.19	3.96	-69.72
NC(=O)CCCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038783	0	57	0.0	-83.37	438.43	1.45	-81.92
NC(=O)CCCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038783	1	57	0.0	-83.37	438.43	1.45	-81.92
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(F)CCCC1	REAL300029038784	0	57	0.0	-71.96	429.15	5.75	-66.21
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(F)CCCC1	REAL300029038784	1	57	0.0	-71.96	429.15	5.75	-66.21
CN1C=NC=C1C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038785	0	54	0.0	-75.33	415.12	5.28	-70.05
CN1C=NC=C1C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038785	1	54	0.0	-75.33	415.12	5.28	-70.05
CC(C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(C)(C)C	REAL300029038786	0	62	0.0	-70.97	444.73	6.10	-64.87
CC(C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(C)(C)C	REAL300029038786	1	62	0.0	-70.97	444.73	6.10	-64.87
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NNN=C1	REAL300029038787	0	50	0.0	-72.63	392.18	1.17	-71.46
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NNN=C1	REAL300029038787	1	50	0.0	-75.17	391.45	1.24	-73.93
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN=NN1	REAL300029038787	1	50	0.0	-76.85	391.27	1.24	-75.61
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN=NN1	REAL300029038787	1	50	0.0	-76.85	391.27	1.24	-75.61
CC1=C(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)NC=N1	REAL300029038788	0	54	0.0	-78.04	414.58	4.29	-73.75
CC1=C(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)NC=N1	REAL300029038788	1	54	0.0	-78.04	414.58	4.29	-73.75
COCC1(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029038789	0	58	0.0	-74.63	444.06	4.19	-70.44
COCC1(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029038789	1	58	0.0	-74.63	444.06	4.19	-70.44
COCC(C)(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038790	0	60	0.0	-72.89	449.30	4.27	-68.62
COCC(C)(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038790	1	60	0.0	-72.89	449.30	4.27	-68.62
CN1N=CC(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300029038791	0	53	0.0	-73.97	415.23	2.28	-71.69
CN1N=CC(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300029038791	1	53	0.0	-73.97	415.23	2.28	-71.69
O=C(CCC(F)F)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038792	0	53	0.0	-75.75	413.42	4.87	-70.88
O=C(CCC(F)F)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038792	1	53	0.0	-75.75	413.42	4.87	-70.88
CC1(CC(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029038793	0	57	0.0	-72.14	429.58	5.88	-66.26
CC1(CC(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029038793	1	57	0.0	-72.14	429.58	5.88	-66.26
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(CCF)CC1	REAL300029038794	0	57	0.0	-73.39	439.16	6.04	-67.35
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(CCF)CC1	REAL300029038794	1	57	0.0	-73.39	439.16	6.04	-67.35
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CSN=N1	REAL300029038796	0	49	0.0	-72.07	396.63	2.51	-69.56
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CSN=N1	REAL300029038796	1	49	0.0	-72.07	396.63	2.51	-69.56
CC1(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCCC1	REAL300029038797	0	60	0.0	-72.74	439.95	6.35	-66.39
CC1(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCCC1	REAL300029038797	1	60	0.0	-72.74	439.95	6.35	-66.39
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN=CO1	REAL300029038798	0	50	0.0	-74.89	393.67	0.84	-74.05
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN=CO1	REAL300029038798	1	50	0.0	-74.89	393.67	0.84	-74.05
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CCC(=O)N1	REAL300029038799	0	55	0.0	-82.04	421.60	1.72	-80.32
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CCC(=O)N1	REAL300029038799	1	55	0.0	-82.04	421.60	1.72	-80.32
CC1=NNC=C1C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038801	0	54	0.0	-78.57	414.85	3.17	-75.40
CC1=NNC=C1C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038801	1	54	0.0	-78.57	414.85	3.17	-75.40
CC1=C(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)NN=N1	REAL300029038802	0	53	0.0	-76.41	409.54	1.85	-74.56
CC1=C(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)NN=N1	REAL300029038802	1	53	0.0	-70.50	410.94	1.77	-68.73
CC1=NNN=C1C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038802	1	53	0.0	-72.22	410.76	1.77	-70.45
CC1=NNN=C1C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038802	1	53	0.0	-72.22	410.76	1.77	-70.45
CCCC(OC)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038803	0	60	0.0	-75.43	454.26	5.56	-69.87
CCCC(OC)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038803	1	60	0.0	-75.43	454.26	5.56	-69.87
C=C(C)C(C)(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038804	0	60	0.0	-72.63	443.62	6.06	-66.57
C=C(C)C(C)(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038804	1	60	0.0	-72.63	443.62	6.06	-66.57
CC(CC(N)=O)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038805	0	57	0.0	-74.21	432.27	1.29	-72.92
CC(CC(N)=O)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038805	1	57	0.0	-74.21	432.27	1.29	-72.92
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCNC1=O	REAL300029038806	0	55	0.0	-74.73	418.15	1.59	-73.14
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCNC1=O	REAL300029038806	1	55	0.0	-74.73	418.15	1.59	-73.14
C=CC(C)(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038807	0	57	0.0	-73.15	426.45	5.47	-67.68
C=CC(C)(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038807	1	57	0.0	-73.15	426.45	5.47	-67.68
C[C@@H]1C[C@H]1C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038809	0	54	0.0	-72.79	411.13	5.29	-67.50
C[C@@H]1C[C@H]1C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038809	1	54	0.0	-72.79	411.13	5.29	-67.50
CC1(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300029038810	0	57	0.0	-72.72	423.01	5.65	-67.07
CC1(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300029038810	1	57	0.0	-72.72	423.01	5.65	-67.07
CC1COC(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029038811	0	58	0.0	-76.73	435.92	4.98	-71.75
CC1COC(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029038811	1	58	0.0	-76.73	435.92	4.98	-71.75
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@]12C[C@H]1CCC2	REAL300029038812	0	58	0.0	-70.83	435.86	6.54	-64.29
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@]12C[C@H]1CCC2	REAL300029038812	1	58	0.0	-70.83	435.86	6.54	-64.29
CCC(F)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038814	0	53	0.0	-73.45	407.04	4.64	-68.81
CCC(F)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038814	1	53	0.0	-73.45	407.04	4.64	-68.81
O=C(CCCF)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038815	0	53	0.0	-75.56	407.35	4.74	-70.82
O=C(CCCF)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038815	1	53	0.0	-75.56	407.35	4.74	-70.82
CC1=COC=C1C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038816	0	54	0.0	-76.53	416.91	4.80	-71.73
CC1=COC=C1C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038816	1	54	0.0	-76.53	416.91	4.80	-71.73
C[C@H]1C[C@@H]1C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038817	0	54	0.0	-72.76	411.12	5.29	-67.47
C[C@H]1C[C@@H]1C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038817	1	54	0.0	-72.76	411.12	5.29	-67.47
CC1(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C=CCC1	REAL300029038818	0	58	0.0	-72.66	433.51	6.14	-66.52
CC1(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C=CCC1	REAL300029038818	1	58	0.0	-72.66	433.51	6.14	-66.52
CN1N=NC(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300029038819	0	52	0.0	-75.80	410.12	1.84	-73.96
CN1N=NC(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300029038819	1	52	0.0	-75.80	410.12	1.84	-73.96
CC(C)C(F)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038820	0	56	0.0	-73.98	421.54	5.22	-68.76
CC(C)C(F)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038820	1	56	0.0	-73.98	421.54	5.22	-68.76
C=CC(C)C(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038821	0	60	0.0	-71.80	446.23	6.25	-65.55
C=CC(C)C(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038821	1	60	0.0	-71.80	446.23	6.25	-65.55
CCC1(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300029038822	0	60	0.0	-72.85	441.94	6.16	-66.69
CCC1(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300029038822	1	60	0.0	-72.85	441.94	6.16	-66.69
CC#CCCCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038823	0	58	0.0	-76.10	449.86	6.86	-69.24
CC#CCCCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038823	1	58	0.0	-76.10	449.86	6.86	-69.24
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@H]1[C@@H]2COC[C@@H]21	REAL300029038824	0	56	0.0	-70.74	426.84	4.09	-66.65
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@H]1[C@@H]2COC[C@@H]21	REAL300029038824	1	56	0.0	-70.74	426.84	4.09	-66.65
O=C(CCCC1CC1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038825	0	60	0.0	-72.80	453.88	6.95	-65.85
O=C(CCCC1CC1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038825	1	60	0.0	-72.80	453.88	6.95	-65.85
CC1(C)CCC1C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038826	0	60	0.0	-72.53	445.16	6.16	-66.37
CC1(C)CCC1C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038826	1	60	0.0	-72.53	445.16	6.16	-66.37
CC1=COC(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300029038827	0	54	0.0	-73.26	420.77	4.84	-68.42
CC1=COC(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300029038827	1	54	0.0	-73.26	420.77	4.84	-68.42
C=CC(CC)CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038828	0	60	0.0	-72.79	452.57	6.50	-66.29
C=CC(CC)CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038828	1	60	0.0	-72.79	452.57	6.50	-66.29
CC(C)(C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029038829	0	60	0.0	-73.28	440.84	6.31	-66.97
CC(C)(C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029038829	1	60	0.0	-73.28	440.84	6.31	-66.97
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@H]1C[C@H]2C[C@H]2C1	REAL300029038830	0	58	0.0	-72.63	433.54	6.46	-66.17
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@H]1C[C@H]2C[C@H]2C1	REAL300029038830	1	58	0.0	-72.63	433.54	6.46	-66.17
O=C(CC1=CON=C1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038831	0	53	0.0	-78.68	414.26	4.22	-74.46
O=C(CC1=CON=C1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038831	1	53	0.0	-78.68	414.26	4.22	-74.46
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(F)CCOC1	REAL300029038832	0	55	0.0	-71.78	419.35	3.13	-68.65
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(F)CCOC1	REAL300029038832	1	55	0.0	-71.78	419.35	3.13	-68.65
CC(C)(C)CCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038833	0	62	0.0	-72.59	455.99	6.29	-66.30
CC(C)(C)CCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038833	1	62	0.0	-72.59	455.99	6.29	-66.30
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=NC=N1	REAL300029038834	0	52	0.0	-72.29	406.91	4.23	-68.06
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=NC=N1	REAL300029038834	1	52	0.0	-72.29	406.91	4.23	-68.06
O=C(CC1=CC=CO1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038835	0	54	0.0	-76.75	420.02	4.96	-71.79
O=C(CC1=CC=CO1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038835	1	54	0.0	-76.75	420.02	4.96	-71.79
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NC=CC=N1	REAL300029038836	0	52	0.0	-77.38	407.48	3.62	-73.76
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NC=CC=N1	REAL300029038836	1	52	0.0	-77.38	407.48	3.62	-73.76
CCC(C)CCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038837	0	62	0.0	-72.46	458.05	6.54	-65.92
CCC(C)CCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038837	1	62	0.0	-72.46	458.05	6.54	-65.92
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CN=N1	REAL300029038838	0	52	0.0	-73.33	406.92	3.28	-70.05
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CN=N1	REAL300029038838	1	52	0.0	-73.33	406.92	3.28	-70.05
CC1OCCC1C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038839	0	58	0.0	-74.98	434.65	3.93	-71.05
CC1OCCC1C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038839	1	58	0.0	-74.98	434.65	3.93	-71.05
CC1(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCOC1	REAL300029038840	0	58	0.0	-73.51	431.52	3.65	-69.86
CC1(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCOC1	REAL300029038840	1	58	0.0	-73.51	431.52	3.65	-69.86
CCC(CC)CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038841	0	62	0.0	-71.89	453.91	6.41	-65.48
CCC(CC)CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038841	1	62	0.0	-71.89	453.91	6.41	-65.48
CCC(C)C(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038842	0	62	0.0	-71.56	451.00	6.34	-65.22
CCC(C)C(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038842	1	62	0.0	-71.56	451.00	6.34	-65.22
CCCC(CC)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038843	0	62	0.0	-72.91	455.43	6.47	-66.44
CCCC(CC)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038843	1	62	0.0	-72.91	455.43	6.47	-66.44
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC(F)C1	REAL300029038844	0	57	0.0	-72.09	429.81	5.78	-66.31
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC(F)C1	REAL300029038844	1	57	0.0	-72.09	429.81	5.78	-66.31
C=CCCCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038845	0	57	0.0	-73.05	435.06	5.95	-67.10
C=CCCCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038845	1	57	0.0	-73.05	435.06	5.95	-67.10
CCC(C)(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038846	0	59	0.0	-72.77	431.92	5.57	-67.20
CCC(C)(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038846	1	59	0.0	-72.77	431.92	5.57	-67.20
CCCC(C)(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038847	0	62	0.0	-69.98	453.60	6.34	-63.64
CCCC(C)(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038847	1	62	0.0	-72.81	453.42	6.34	-66.47
NC(=O)C1(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029038848	0	55	0.0	-74.28	427.75	1.21	-73.07
NC(=O)C1(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029038848	1	55	0.0	-74.33	426.60	1.14	-73.19
NC(=O)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038849	0	48	0.0	-72.34	375.82	-0.76	-73.10
NC(=O)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038849	1	48	0.0	-71.80	374.61	-0.84	-72.64
CC1=NOC=C1C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038850	0	53	0.0	-75.65	412.27	4.19	-71.46
CC1=NOC=C1C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038850	1	53	0.0	-78.00	412.09	4.19	-73.81
CCC1(C)CC1C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038851	0	60	0.0	-72.14	444.66	6.50	-65.64
CCC1(C)CC1C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038851	1	60	0.0	-71.52	443.45	6.47	-65.05
COCC(C)CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038852	0	60	0.0	-75.10	451.64	4.38	-70.72
COCC(C)CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038852	1	60	0.0	-74.42	450.42	4.30	-70.12
CC1(CCC(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029038853	0	60	0.0	-70.26	448.90	6.53	-63.73
CC1(CCC(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029038853	1	60	0.0	-72.90	448.72	6.52	-66.38
CC1=C(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)ON=C1	REAL300029038854	0	53	0.0	-70.54	412.05	4.26	-66.28
CC1=C(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)ON=C1	REAL300029038854	1	53	0.0	-71.89	411.88	4.27	-67.62
CC1(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC=CC1	REAL300029038855	0	58	0.0	-74.12	434.22	6.27	-67.85
CC1(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC=CC1	REAL300029038855	1	58	0.0	-73.50	433.38	6.19	-67.31
COC(C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(C)C	REAL300029038856	0	60	0.0	-72.45	447.08	5.24	-67.21
COC(C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(C)C	REAL300029038856	1	60	0.0	-69.96	449.31	4.63	-65.33
CC1CC1CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038857	0	57	0.0	-70.27	431.75	6.06	-64.21
CC1CC1CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038857	1	57	0.0	-72.87	429.53	6.01	-66.86
C=CC(C)(CC)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038858	0	60	0.0	-70.38	443.16	5.99	-64.39
C=CC(C)(CC)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038858	1	60	0.0	-72.02	440.55	6.63	-65.39
O=C(C[C@H]1CCOC1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038859	0	58	0.0	-72.01	433.93	3.97	-68.04
O=C(C[C@H]1CCOC1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038859	1	58	0.0	-74.41	433.74	3.94	-70.47
CCC1(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029038860	0	57	0.0	-69.69	432.80	5.86	-63.83
CCC1(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029038860	1	57	0.0	-73.14	430.27	6.02	-67.12
CC(F)(F)CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038861	0	53	0.0	-75.33	411.34	4.81	-70.52
CC(F)(F)CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038861	1	53	0.0	-78.31	411.16	4.78	-73.53
CCCC1(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029038862	0	60	0.0	-69.59	454.21	6.63	-62.96
CCCC1(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029038862	1	60	0.0	-72.94	454.70	6.66	-66.28
COCC(OC)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038863	0	58	0.0	-73.79	442.33	3.38	-70.41
COCC(OC)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038863	1	58	0.0	-76.13	445.68	3.21	-72.92
CCC[C@@H]1C[C@H]1C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038864	0	60	0.0	-69.80	454.30	6.84	-62.96
CCC[C@@H]1C[C@H]1C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038864	1	60	0.0	-72.59	454.04	6.83	-65.76
CC(C)C1(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029038865	0	60	0.0	-72.81	446.71	6.98	-65.83
CC(C)C1(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029038865	1	60	0.0	-73.04	446.27	6.24	-66.80
C=C1CC(C)(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029038866	0	58	0.0	-70.04	437.61	6.16	-63.88
C=C1CC(C)(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029038866	1	58	0.0	-72.57	437.26	6.17	-66.40
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(CF)CC1	REAL300029038867	0	54	0.0	-70.88	412.43	5.31	-65.57
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(CF)CC1	REAL300029038867	1	54	0.0	-73.28	412.25	5.29	-67.99
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2(CC2)C1	REAL300029038868	0	58	0.0	-69.80	438.50	6.50	-63.30
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2(CC2)C1	REAL300029038868	1	58	0.0	-72.51	438.35	6.50	-66.01
CC(C)(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038869	0	56	0.0	-73.38	418.91	5.15	-68.23
CC(C)(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038869	1	56	0.0	-72.67	417.69	5.07	-67.60
CCCCCCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038870	0	62	0.0	-73.19	466.46	7.02	-66.17
CCCCCCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038870	1	62	0.0	-72.50	465.25	6.95	-65.55
CC1=CON=C1C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038872	0	53	0.0	-70.91	412.37	4.08	-66.83
CC1=CON=C1C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038872	1	53	0.0	-72.78	412.18	4.06	-68.72
NC(=O)[C@@H]1C[C@@H]1C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038873	0	55	0.0	-77.79	425.12	2.18	-75.61
NC(=O)[C@@H]1C[C@@H]1C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038873	1	55	0.0	-84.33	427.10	1.20	-83.13
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(CF)CCC1	REAL300029038875	0	57	0.0	-70.85	426.72	5.71	-65.14
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(CF)CCC1	REAL300029038875	1	57	0.0	-73.22	426.71	5.69	-67.53
O=C(CN1C=NC=N1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038876	0	53	0.0	-84.62	415.47	5.76	-78.86
O=C(CN1C=NC=N1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038876	1	53	0.0	-82.52	414.25	5.68	-76.84
O=C(CC1=NNC=N1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038877	0	53	0.0	-77.53	414.06	3.68	-73.85
O=C(CC1=NNC=N1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038877	1	53	0.0	-80.32	413.88	3.68	-76.64
O=C(CC1=NN=CN1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038877	1	53	0.0	-82.43	412.67	4.23	-78.20
O=C(CC1=NN=CN1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038877	1	53	0.0	-84.69	412.51	4.22	-80.47
CC(C)C(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038878	0	59	0.0	-72.44	434.04	5.79	-66.65
CC(C)C(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038878	1	59	0.0	-71.66	432.83	5.71	-65.95
CC[C@@H]1C[C@H]1C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038879	0	57	0.0	-69.93	432.82	6.06	-63.87
CC[C@@H]1C[C@H]1C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038879	1	57	0.0	-72.76	432.54	6.05	-66.71
CC(C)CCCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038880	0	62	0.0	-69.86	461.50	6.68	-63.18
CC(C)CCCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038880	1	62	0.0	-72.43	461.32	6.67	-65.76
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC12CC2	REAL300029038881	0	55	0.0	-73.66	423.44	6.15	-67.51
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC12CC2	REAL300029038881	1	55	0.0	-72.82	422.22	6.08	-66.74
O=C(CC1=CNC=N1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038882	0	54	0.0	-81.04	419.00	4.57	-76.47
O=C(CC1=CNC=N1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038882	1	54	0.0	-78.82	417.79	4.48	-74.34
O=C(CC1=CN=CN1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038882	1	54	0.0	-77.21	418.83	4.31	-72.90
O=C(CC1=CN=CN1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038882	1	54	0.0	-79.23	418.65	4.30	-74.93
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CC(=O)N1	REAL300029038883	0	52	0.0	-80.15	405.65	0.61	-79.54
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CC(=O)N1	REAL300029038883	1	52	0.0	-82.11	404.20	0.52	-81.59
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CCCCC1	REAL300029038884	0	58	0.0	-70.04	430.83	6.37	-63.67
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CCCCC1	REAL300029038884	1	58	0.0	-72.76	430.67	6.37	-66.39
CC(=CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(C)C	REAL300029038885	0	60	0.0	-71.71	448.47	6.48	-65.23
CC(=CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(C)C	REAL300029038885	1	60	0.0	-71.03	446.78	6.38	-64.65
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@H]1CC(=O)N1	REAL300029038886	0	52	0.0	-79.23	404.40	0.54	-78.69
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@H]1CC(=O)N1	REAL300029038886	1	52	0.0	-81.48	404.17	0.52	-80.96
O=C(CN1C=NC=N1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038887	0	53	0.0	-84.62	415.47	5.76	-78.86
O=C(CN1C=NC=N1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038887	1	53	0.0	-82.52	414.25	5.68	-76.84
COC1(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029038888	0	55	0.0	-72.51	422.00	3.63	-68.88
COC1(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029038888	1	55	0.0	-72.06	420.71	3.56	-68.50
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CSC1	REAL300029038889	0	52	0.0	-71.99	406.05	4.76	-67.23
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CSC1	REAL300029038889	1	52	0.0	-74.05	405.86	4.76	-69.29
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(O)CCCC1	REAL300029038890	0	58	0.0	-74.97	431.74	2.79	-72.18
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(O)CCCC1	REAL300029038890	1	58	0.0	-73.31	430.54	2.69	-70.62
C=CCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038891	0	51	0.0	-70.49	392.35	4.38	-66.11
C=CCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038891	1	51	0.0	-72.99	392.17	4.38	-68.61
CN(C)CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038892	1	55	0.0	-70.51	412.94	2.17	-68.34
CN(C)CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038892	1	55	0.0	-73.10	412.76	2.17	-70.93
C=CC(O)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038893	0	52	0.0	-71.56	400.80	2.44	-69.12
C=CC(O)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038893	1	52	0.0	-73.41	403.27	2.25	-71.16
[N-]=[N+]=NCCCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038894	0	55	0.0	-73.17	431.07	1.26	-71.91
[N-]=[N+]=NCCCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038894	1	55	0.0	-75.88	430.89	1.26	-74.62
CC1(C)COC1C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038895	0	58	0.0	-74.41	436.65	4.69	-69.72
CC1(C)COC1C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038895	1	58	0.0	-77.32	436.13	4.66	-72.66
CC(C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)N1CCC1	REAL300029038896	0	59	0.0	-71.31	439.13	2.50	-68.81
CC(C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)N1CCC1	REAL300029038896	1	59	0.0	-74.05	439.17	2.57	-71.48
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@H]1CC1(F)F	REAL300029038897	0	51	0.0	-72.07	402.96	4.78	-67.29
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@H]1CC1(F)F	REAL300029038897	1	51	0.0	-77.08	401.23	4.81	-72.27
O=C(CC1=CNN=C1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038898	0	54	0.0	-74.99	419.30	3.30	-71.69
O=C(CC1=CNN=C1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038898	1	54	0.0	-77.15	419.12	3.30	-73.85
CC(C)NC(=O)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038899	0	57	0.0	-71.83	439.87	2.40	-69.43
CC(C)NC(=O)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038899	1	57	0.0	-71.30	438.65	2.32	-68.98
C=C(Cl)CCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038900	0	54	0.0	-70.25	430.77	5.70	-64.55
C=C(Cl)CCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038900	1	54	0.0	-72.77	430.59	5.68	-67.09
CC1=C(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCO1	REAL300029038901	0	56	0.0	-70.26	423.04	4.50	-65.76
CC1=C(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCO1	REAL300029038901	1	56	0.0	-72.69	422.87	4.50	-68.19
O=C(C=C1CCCC1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038902	0	58	0.0	-72.62	435.89	6.52	-66.10
O=C(C=C1CCCC1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038902	1	58	0.0	-71.88	434.68	6.45	-65.43
CN(CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029038903	1	59	0.0	-73.48	443.61	3.82	-69.66
CN(CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029038903	1	59	0.0	-73.04	442.40	3.74	-69.30
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(CO)COC1	REAL300029038904	0	56	0.0	-73.23	423.02	0.23	-73.00
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(CO)COC1	REAL300029038904	1	56	0.0	-76.48	423.03	0.21	-76.27
CC(C)=CCCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038905	0	60	0.0	-69.68	452.77	6.58	-63.10
CC(C)=CCCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038905	1	60	0.0	-72.12	452.29	6.59	-65.53
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1COC1	REAL300029038906	0	52	0.0	-74.67	397.83	2.42	-72.25
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1COC1	REAL300029038906	1	52	0.0	-74.19	396.62	2.34	-71.85
CC1CCC(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300029038907	0	58	0.0	-74.01	436.78	5.21	-68.80
CC1CCC(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300029038907	1	58	0.0	-77.16	436.52	5.18	-71.98
O=C(CC1(CO)CC1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038908	0	58	0.0	-70.22	441.10	2.54	-67.68
O=C(CC1(CO)CC1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038908	1	58	0.0	-72.28	440.81	2.50	-69.78
CC1(O)CC(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029038910	0	58	0.0	-70.74	438.20	2.35	-68.39
CC1(O)CC(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029038910	1	58	0.0	-76.53	436.91	2.29	-74.24
CO[C@H](C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038911	0	54	0.0	-73.50	411.95	3.91	-69.59
CO[C@H](C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038911	1	54	0.0	-76.19	411.77	3.90	-72.29
CC1=NNC(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300029038912	0	53	0.0	-71.00	414.45	3.14	-67.86
CC1=NNC(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300029038912	1	53	0.0	-72.55	414.28	3.14	-69.41
CC1=NN=C(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300029038912	1	53	0.0	-75.00	415.69	3.48	-71.52
CC1=NN=C(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300029038912	1	53	0.0	-74.53	414.48	3.40	-71.13
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=COC(=O)N1	REAL300029038913	0	51	0.0	-82.96	403.61	1.29	-81.67
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=COC(=O)N1	REAL300029038913	1	51	0.0	-82.10	402.40	1.21	-80.89
CC=CC(O)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038914	0	55	0.0	-74.30	426.18	3.19	-71.11
CC=CC(O)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038914	1	55	0.0	-74.03	422.32	3.29	-70.74
CCCC[C@H](C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038915	0	62	0.0	-73.13	461.14	6.77	-66.36
CCCC[C@H](C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038915	1	62	0.0	-72.45	459.93	6.69	-65.76
C[C@@H](C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)N(C)C	REAL300029038916	1	58	0.0	-73.86	428.12	2.62	-71.24
C[C@@H](C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)N(C)C	REAL300029038916	1	58	0.0	-72.91	425.23	2.61	-70.30
CCC=C(F)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038917	0	54	0.0	-70.83	419.32	5.33	-65.50
CCC=C(F)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038917	1	54	0.0	-70.08	418.11	5.25	-64.83
CCC=CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038918	0	54	0.0	-73.26	415.13	5.29	-67.97
CCC=CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038918	1	54	0.0	-72.52	413.92	5.21	-67.31
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC(=O)N1	REAL300029038920	0	55	0.0	-82.61	422.80	1.83	-80.78
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC(=O)N1	REAL300029038920	1	55	0.0	-81.99	421.59	1.71	-80.28
CC(C)(CO)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038921	0	57	0.0	-70.81	427.22	1.87	-68.94
CC(C)(CO)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038921	1	57	0.0	-73.16	427.04	1.87	-71.29
CN1C=CN=C1C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038922	0	54	0.0	-73.39	417.18	4.69	-68.70
CN1C=CN=C1C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038922	1	54	0.0	-72.91	415.97	4.61	-68.30
O=C(CC(O)C1CC1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038923	0	58	0.0	-76.21	439.86	4.05	-72.16
O=C(CC(O)C1CC1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038923	1	58	0.0	-75.80	442.22	3.72	-72.08
CC(C)CC(F)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038924	0	59	0.0	-71.29	445.91	5.93	-65.36
CC(C)CC(F)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038924	1	59	0.0	-74.54	445.73	5.92	-68.62
CC(=CC1CC1)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038925	0	58	0.0	-73.79	439.71	6.74	-67.05
CC(=CC1CC1)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038925	1	58	0.0	-72.98	438.50	6.65	-66.33
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC=CO1	REAL300029038926	0	56	0.0	-73.56	425.04	5.49	-68.07
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC=CO1	REAL300029038926	1	56	0.0	-76.12	424.99	5.48	-70.64
O=C(CC1CSC1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038927	0	55	0.0	-74.01	427.13	5.53	-68.48
O=C(CC1CSC1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038927	1	55	0.0	-76.47	426.94	5.52	-70.95
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(F)CCC1	REAL300029038928	0	54	0.0	-72.36	413.67	5.24	-67.12
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(F)CCC1	REAL300029038928	1	54	0.0	-70.31	412.45	5.13	-65.18
O=C(CO)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038929	0	48	0.0	-74.90	369.91	0.92	-73.98
O=C(CO)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038929	1	48	0.0	-77.61	369.72	0.92	-76.69
NC(=O)C=CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038930	0	52	0.0	-75.95	410.44	0.56	-75.39
NC(=O)C=CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038930	1	52	0.0	-75.43	409.22	0.48	-74.95
C#CCSCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038931	0	53	0.0	-78.19	430.78	5.76	-72.43
C#CCSCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038931	1	53	0.0	-77.44	429.56	5.68	-71.76
CC(O)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038932	0	51	0.0	-74.53	391.27	1.79	-72.74
CC(O)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038932	1	51	0.0	-73.77	390.05	1.70	-72.07
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(O)CCC1	REAL300029038933	0	55	0.0	-70.90	414.26	2.08	-68.82
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(O)CCC1	REAL300029038933	1	55	0.0	-73.71	412.52	2.04	-71.67
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(O)C1CC1	REAL300029038934	0	55	0.0	-70.93	418.52	3.51	-67.42
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(O)C1CC1	REAL300029038934	1	55	0.0	-73.02	418.35	3.51	-69.51
O=C(CN1C=NN=C1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038935	0	53	0.0	-83.17	414.93	6.60	-76.57
O=C(CN1C=NN=C1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038935	1	53	0.0	-85.69	414.75	6.60	-79.09
C=CCC(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038936	0	57	0.0	-69.78	430.39	5.71	-64.07
C=CCC(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038936	1	57	0.0	-72.29	431.43	5.75	-66.54
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1F	REAL300029038937	0	51	0.0	-73.83	394.65	4.72	-69.11
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1F	REAL300029038937	1	51	0.0	-71.88	396.57	4.70	-67.18
C[C@@H](C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)N(C)C	REAL300029038938	1	58	0.0	-73.86	428.12	2.62	-71.24
C[C@@H](C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)N(C)C	REAL300029038938	1	58	0.0	-72.91	425.23	2.61	-70.30
O=C(CCF)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038939	0	50	0.0	-70.44	386.03	3.98	-66.46
O=C(CCF)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038939	1	50	0.0	-72.57	385.85	3.97	-68.60
O=C(CN1C=CN=N1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038940	0	53	0.0	-87.55	414.55	3.04	-84.51
O=C(CN1C=CN=N1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038940	1	53	0.0	-84.75	413.34	2.96	-81.79
C=CC1(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300029038941	0	58	0.0	-69.33	433.12	6.68	-62.65
C=CC1(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300029038941	1	58	0.0	-71.98	433.19	6.65	-65.33
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(O)COC1	REAL300029038942	0	53	0.0	-73.18	405.02	-0.18	-73.36
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(O)COC1	REAL300029038942	1	53	0.0	-74.88	404.83	-0.19	-75.07
CCC(C)C(O)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038943	0	60	0.0	-70.70	444.93	3.88	-66.82
CCC(C)C(O)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038943	1	60	0.0	-74.05	445.31	4.20	-69.85
CC(C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)=C1CC1	REAL300029038944	0	55	0.0	-74.32	423.25	6.15	-68.17
CC(C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)=C1CC1	REAL300029038944	1	55	0.0	-73.59	422.04	6.07	-67.52
CCC1CC1C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038945	0	57	0.0	-69.94	432.74	6.05	-63.89
CCC1CC1C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038945	1	57	0.0	-72.57	432.55	6.04	-66.53
CC(O)CCCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038946	0	60	0.0	-72.67	454.24	2.88	-69.79
CC(O)CCCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038946	1	60	0.0	-75.48	454.06	2.87	-72.61
O=C(CC1(O)CC1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038947	0	55	0.0	-77.19	423.16	2.63	-74.56
O=C(CC1(O)CC1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038947	1	55	0.0	-76.49	422.14	2.66	-73.83
O=C(C=CCF)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038948	0	51	0.0	-76.08	400.23	4.64	-71.44
O=C(C=CCF)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038948	1	51	0.0	-74.82	399.02	4.56	-70.26
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(F)CC1CC1	REAL300029038949	0	57	0.0	-71.32	438.79	6.19	-65.13
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(F)CC1CC1	REAL300029038949	1	57	0.0	-73.16	438.62	6.19	-66.97
CCC(CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)OC	REAL300029038950	0	60	0.0	-70.30	447.85	5.10	-65.20
CCC(CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)OC	REAL300029038950	1	60	0.0	-72.68	447.85	5.10	-67.58
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=C(Cl)CC1	REAL300029038951	0	52	0.0	-73.02	417.50	5.68	-67.34
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=C(Cl)CC1	REAL300029038951	1	52	0.0	-75.86	417.32	5.68	-70.18
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@]12C[C@H]1[C@H](F)C2	REAL300029038952	0	55	0.0	-73.04	425.03	5.91	-67.13
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@]12C[C@H]1[C@H](F)C2	REAL300029038952	1	55	0.0	-73.93	426.34	6.00	-67.93
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CCCOC1	REAL300029038953	0	56	0.0	-71.36	422.15	3.98	-67.38
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CCCOC1	REAL300029038953	1	56	0.0	-73.46	421.97	3.96	-69.50
CC(C)(C)C(O)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038954	0	60	0.0	-70.06	440.31	2.86	-67.20
CC(C)(C)C(O)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038954	1	60	0.0	-73.77	441.93	4.20	-69.57
C#CCCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038955	0	52	0.0	-70.56	406.72	5.12	-65.44
C#CCCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038955	1	52	0.0	-72.89	406.53	5.12	-67.77
O=C(CN1CCC1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038956	0	56	0.0	-71.19	420.80	1.76	-69.43
O=C(CN1CCC1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038956	1	56	0.0	-74.42	421.79	2.00	-72.42
CC(C)C(O)CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038957	0	60	0.0	-72.56	446.04	3.72	-68.84
CC(C)C(O)CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038957	1	60	0.0	-75.48	445.86	3.72	-71.76
CCCC(C)(O)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038958	0	60	0.0	-69.00	448.04	2.70	-66.30
CCCC(C)(O)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038958	1	60	0.0	-71.42	448.05	2.73	-68.69
CCOC(C)(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038959	0	60	0.0	-73.84	445.74	5.32	-68.52
CCOC(C)(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038959	1	60	0.0	-76.80	445.57	5.32	-71.48
C#C[C@H]1C[C@H]1C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038960	0	53	0.0	-72.53	412.89	5.79	-66.74
C#C[C@H]1C[C@H]1C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038960	1	53	0.0	-73.13	414.15	5.88	-67.25
[N-]=[N+]=NC1(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029038961	0	53	0.0	-67.71	413.15	1.69	-66.02
[N-]=[N+]=NC1(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029038961	1	53	0.0	-69.01	412.96	1.70	-67.31
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CNC(=O)O1	REAL300029038962	0	51	0.0	-74.39	403.75	1.42	-72.97
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CNC(=O)O1	REAL300029038962	1	51	0.0	-75.24	403.57	1.42	-73.82
CC(C)[C@@H]1C[C@H]1C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038963	0	60	0.0	-69.82	451.80	6.61	-63.21
CC(C)[C@@H]1C[C@H]1C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038963	1	60	0.0	-72.43	451.61	6.59	-65.84
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1C2CCC21	REAL300029038964	0	55	0.0	-69.71	412.66	5.93	-63.78
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1C2CCC21	REAL300029038964	1	55	0.0	-72.19	412.48	5.93	-66.26
C=C1CCC1C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038965	0	55	0.0	-69.93	419.69	5.61	-64.32
C=C1CCC1C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038965	1	55	0.0	-72.38	419.52	5.61	-66.77
C[C@H]1C(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)[C@H]1C	REAL300029038966	0	57	0.0	-72.96	428.79	5.90	-67.06
C[C@H]1C(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)[C@H]1C	REAL300029038966	1	57	0.0	-68.88	421.66	5.82	-63.06
C[C@H](C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)N(C)C	REAL300029038967	1	58	0.0	-73.13	427.04	2.58	-70.55
C[C@H](C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)N(C)C	REAL300029038967	1	58	0.0	-73.21	427.09	2.55	-70.66
CC=CC=CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038968	0	55	0.0	-73.33	429.22	5.96	-67.37
CC=CC=CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038968	1	55	0.0	-72.61	428.00	5.88	-66.73
CN1N=CN=C1C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038969	0	53	0.0	-73.10	411.94	4.65	-68.45
CN1N=CN=C1C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038969	1	53	0.0	-72.57	410.73	4.57	-68.00
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CC[C@@H](O)C1	REAL300029038970	0	58	0.0	-72.83	435.00	2.42	-70.41
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CC[C@@H](O)C1	REAL300029038970	1	58	0.0	-72.99	434.99	2.44	-70.55
CS(=O)C=CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038971	0	53	0.0	-81.23	426.24	2.27	-78.96
CS(=O)C=CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038971	1	53	0.0	-82.61	425.02	2.19	-80.42
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CC=CCC1	REAL300029038972	0	58	0.0	-73.25	433.82	6.38	-66.87
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CC=CCC1	REAL300029038972	1	58	0.0	-72.37	432.62	6.29	-66.08
COCC=CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038973	0	55	0.0	-75.81	427.40	3.57	-72.24
COCC=CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038973	1	55	0.0	-74.75	426.19	3.49	-71.26
CC1CN(CC(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029038974	0	59	0.0	-74.91	443.95	2.69	-72.22
CC1CN(CC(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029038974	1	59	0.0	-74.64	442.72	2.75	-71.89
CC1(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)COC1	REAL300029038975	0	55	0.0	-71.73	415.13	2.95	-68.78
CC1(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)COC1	REAL300029038975	1	55	0.0	-73.56	414.54	2.99	-70.57
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CCCCO1	REAL300029038976	0	56	0.0	-69.51	423.83	4.55	-64.96
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CCCCO1	REAL300029038976	1	56	0.0	-71.89	423.66	4.55	-67.34
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CCCS1	REAL300029038977	0	53	0.0	-69.71	416.54	5.38	-64.33
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CCCS1	REAL300029038977	1	53	0.0	-72.01	416.37	5.37	-66.64
CC1=NOC(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029038978	0	55	0.0	-80.13	424.80	4.50	-75.63
CC1=NOC(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029038978	1	55	0.0	-83.56	424.64	4.49	-79.07
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)NC1CC1	REAL300029038979	0	55	0.0	-71.90	429.35	2.45	-69.45
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)NC1CC1	REAL300029038979	1	55	0.0	-71.35	428.14	2.37	-68.98
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCSC1	REAL300029038980	0	55	0.0	-72.03	422.60	5.43	-66.60
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCSC1	REAL300029038980	1	55	0.0	-73.32	423.07	5.43	-67.89
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCO1	REAL300029038981	0	52	0.0	-75.14	397.91	3.47	-71.67
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCO1	REAL300029038981	1	52	0.0	-77.74	398.15	3.37	-74.37
[N-]=[N+]=NCCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038982	0	52	0.0	-70.48	409.58	0.46	-70.02
[N-]=[N+]=NCCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038982	1	52	0.0	-72.39	409.39	0.45	-71.94
C#CCOCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038983	0	53	0.0	-79.70	420.83	4.77	-74.93
C#CCOCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038983	1	53	0.0	-78.96	419.62	4.69	-74.27
O=C(CC1=NN=CO1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038984	0	52	0.0	-82.47	410.60	-0.92	-83.39
O=C(CC1=NN=CO1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038984	1	52	0.0	-83.15	409.39	-1.00	-84.15
CN(CCO)CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038985	0	59	0.0	-72.91	442.07	-0.34	-73.25
CN(CCO)CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038985	1	59	0.0	-75.85	442.01	-0.37	-76.22
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCCS1	REAL300029038986	0	55	0.0	-70.11	423.95	5.46	-64.65
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCCS1	REAL300029038986	1	55	0.0	-71.80	423.77	5.46	-66.34
CC(C)(O)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038987	0	54	0.0	-69.25	409.92	1.27	-67.98
CC(C)(O)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038987	1	54	0.0	-77.55	408.80	2.40	-75.15
CC1=CC1C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038988	0	52	0.0	-70.68	404.95	5.32	-65.36
CC1=CC1C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038988	1	52	0.0	-73.13	404.83	5.30	-67.83
CN(C)C(=O)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038989	0	54	0.0	-71.92	413.18	2.74	-69.18
CN(C)C(=O)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038989	1	54	0.0	-71.54	411.77	2.68	-68.86
CSC=CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038990	0	52	0.0	-72.69	416.09	4.83	-67.86
CSC=CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038990	1	52	0.0	-72.06	414.88	4.75	-67.31
CCC(C)(O)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038991	0	57	0.0	-69.12	426.54	1.94	-67.18
CCC(C)(O)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038991	1	57	0.0	-71.02	426.36	1.94	-69.08
CCN(C)CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038992	1	58	0.0	-70.35	430.91	2.96	-67.39
CCN(C)CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038992	1	58	0.0	-73.00	430.73	2.96	-70.04
CC(C)(F)CCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038993	0	59	0.0	-70.58	444.97	5.93	-64.65
CC(C)(F)CCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038993	1	59	0.0	-72.39	444.76	5.92	-66.47
CCC=CC=CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038994	0	58	0.0	-73.14	450.31	6.73	-66.41
CCC=CC=CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038994	1	58	0.0	-72.49	449.09	6.64	-65.85
CC1=CC(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CN1	REAL300029038996	0	55	0.0	-75.45	423.98	4.58	-70.87
CC1=CC(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CN1	REAL300029038996	1	55	0.0	-78.65	423.81	4.58	-74.07
COCC(C)(O)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038997	0	58	0.0	-70.42	442.03	0.65	-69.77
COCC(C)(O)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029038997	1	58	0.0	-72.46	442.22	0.84	-71.62
CC1=C(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300029038998	0	58	0.0	-69.39	433.00	6.41	-62.98
CC1=C(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300029038998	1	58	0.0	-72.00	432.83	6.41	-65.59
C=C1CC(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029038999	0	55	0.0	-69.96	419.72	5.63	-64.33
C=C1CC(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029038999	1	55	0.0	-72.39	419.54	5.62	-66.77
CC(O)(C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029039000	0	58	0.0	-69.32	435.21	2.57	-66.75
CC(O)(C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029039000	1	58	0.0	-71.34	435.04	2.57	-68.77
CC1=NC=C(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300029039001	0	53	0.0	-74.99	416.86	1.67	-73.32
CC1=NC=C(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300029039001	1	53	0.0	-74.30	415.65	1.60	-72.70
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1F	REAL300029039002	0	54	0.0	-73.32	410.65	5.23	-68.09
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1F	REAL300029039002	1	54	0.0	-70.89	412.63	5.21	-65.68
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN=CN1	REAL300029039003	0	51	0.0	-76.02	396.76	3.68	-72.34
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN=CN1	REAL300029039003	1	51	0.0	-78.54	396.59	3.68	-74.86
CC1=NOC(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300029039004	0	52	0.0	-73.75	410.38	1.61	-72.14
CC1=NOC(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300029039004	1	52	0.0	-75.31	410.20	1.61	-73.70
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2CC2C1	REAL300029039005	0	58	0.0	-70.12	433.70	6.46	-63.66
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2CC2C1	REAL300029039005	1	58	0.0	-72.89	433.53	6.45	-66.44
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CCSC1	REAL300029039006	0	53	0.0	-71.39	415.06	5.42	-65.97
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CCSC1	REAL300029039006	1	53	0.0	-73.14	414.87	5.42	-67.72
CCCC(O)CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039007	0	60	0.0	-72.79	453.11	3.77	-69.02
CCCC(O)CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039007	1	60	0.0	-75.68	452.92	3.76	-71.92
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(Cl)CC1	REAL300029039008	0	51	0.0	-68.37	405.71	5.14	-63.23
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(Cl)CC1	REAL300029039008	1	51	0.0	-70.44	405.02	5.15	-65.29
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CCCO1	REAL300029039009	0	53	0.0	-72.17	408.57	3.81	-68.36
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CCCO1	REAL300029039009	1	53	0.0	-71.79	407.36	3.72	-68.07
CCC[C@H](O)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039011	0	57	0.0	-71.24	432.22	3.32	-67.92
CCC[C@H](O)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039011	1	57	0.0	-73.38	432.05	3.31	-70.07
CCC(C)(OC)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039012	0	60	0.0	-68.73	442.17	4.35	-64.38
CCC(C)(OC)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039012	1	60	0.0	-76.56	442.24	5.04	-71.52
CC(C)[C@H](O)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039013	0	57	0.0	-74.48	427.57	3.31	-71.17
CC(C)[C@H](O)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039013	1	57	0.0	-73.09	426.35	3.23	-69.86
CC(C)C(CO)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039014	0	60	0.0	-70.53	442.29	2.91	-67.62
CC(C)C(CO)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039014	1	60	0.0	-70.85	441.19	2.84	-68.01
CCOC=CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039015	0	55	0.0	-72.51	427.11	4.15	-68.36
CCOC=CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039015	1	55	0.0	-71.95	425.90	4.07	-67.88
CCN1CCC1C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039016	0	59	0.0	-75.77	444.79	2.71	-73.06
CCN1CCC1C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039016	1	59	0.0	-75.08	443.51	2.62	-72.46
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCCC1O	REAL300029039017	0	58	0.0	-74.85	432.51	2.61	-72.24
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCCC1O	REAL300029039017	1	58	0.0	-73.03	433.23	2.36	-70.67
C[C@@H](O)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039018	0	51	0.0	-71.81	390.24	1.71	-70.10
C[C@@H](O)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039018	1	51	0.0	-74.50	390.06	1.71	-72.79
NC(=O)C(O)CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039019	0	55	0.0	-78.50	426.51	-0.71	-79.21
NC(=O)C(O)CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039019	1	55	0.0	-81.98	426.32	-0.71	-82.69
CCC(C)=C(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039020	0	60	0.0	-71.85	443.77	6.57	-65.28
CCC(C)=C(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039020	1	60	0.0	-71.65	444.46	6.55	-65.10
COC1(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300029039021	0	58	0.0	-68.92	435.59	3.90	-65.02
COC1(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300029039021	1	58	0.0	-70.81	434.84	4.15	-66.66
CC(C)(O)CCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039022	0	60	0.0	-70.36	449.31	2.61	-67.75
CC(C)(O)CCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039022	1	60	0.0	-72.61	449.15	2.62	-69.99
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CSN=C1	REAL300029039023	0	50	0.0	-72.09	400.52	3.78	-68.31
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CSN=C1	REAL300029039023	1	50	0.0	-74.07	400.34	3.78	-70.29
CC1CC(C)(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029039024	0	60	0.0	-69.96	444.34	6.28	-63.68
CC1CC(C)(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029039024	1	60	0.0	-72.79	438.98	6.11	-66.68
CNC(=O)CCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039025	0	57	0.0	-72.95	439.05	2.16	-70.79
CNC(=O)CCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039025	1	57	0.0	-74.56	438.87	2.14	-72.42
O=C(CCCCF)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039026	0	56	0.0	-74.00	430.06	5.60	-68.40
O=C(CCCCF)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039026	1	56	0.0	-73.29	428.84	5.52	-67.77
O=C(C=CCO)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039027	0	52	0.0	-77.11	405.15	1.16	-75.95
O=C(C=CCO)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039027	1	52	0.0	-76.03	403.94	1.09	-74.94
O=C(CC1=CN=CO1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039028	0	53	0.0	-76.82	414.87	1.68	-75.14
O=C(CC1=CN=CO1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039028	1	53	0.0	-79.43	414.69	1.67	-77.76
COC(C)(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039029	0	57	0.0	-73.94	423.89	4.39	-69.55
COC(C)(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039029	1	57	0.0	-76.83	423.71	4.39	-72.44
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(F)(F)CO	REAL300029039031	0	51	0.0	-71.68	400.81	2.07	-69.61
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(F)(F)CO	REAL300029039031	1	51	0.0	-72.54	401.82	0.79	-71.75
O=C(CCCCO)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039032	0	57	0.0	-74.65	434.89	2.13	-72.52
O=C(CCCCO)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039032	1	57	0.0	-74.00	433.67	2.04	-71.96
CC1=C(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C=NO1	REAL300029039033	0	53	0.0	-72.22	411.78	4.38	-67.84
CC1=C(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C=NO1	REAL300029039033	1	53	0.0	-73.97	411.60	4.38	-69.59
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CNC(=O)C1	REAL300029039034	0	55	0.0	-77.89	421.01	1.48	-76.41
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CNC(=O)C1	REAL300029039034	1	55	0.0	-80.76	419.80	1.41	-79.35
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CNC(=O)N1	REAL300029039035	0	54	0.0	-82.24	416.94	-0.66	-82.90
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CNC(=O)N1	REAL300029039035	1	54	0.0	-83.75	415.50	-0.74	-84.49
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN=CS1	REAL300029039036	0	50	0.0	-72.68	401.99	3.29	-69.39
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN=CS1	REAL300029039036	1	50	0.0	-75.17	401.81	3.29	-71.88
CC1=CC=C(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300029039037	0	55	0.0	-73.02	423.86	4.51	-68.51
CC1=CC=C(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300029039037	1	55	0.0	-75.76	423.68	4.50	-71.26
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(CO)CC1	REAL300029039038	0	55	0.0	-73.69	422.14	1.77	-71.92
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(CO)CC1	REAL300029039038	1	55	0.0	-75.94	421.81	1.79	-74.15
COC1(CC(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029039039	0	58	0.0	-72.33	440.08	4.16	-68.17
COC1(CC(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029039039	1	58	0.0	-76.02	443.45	5.00	-71.02
CC[C@H](C)[C@H](O)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039040	0	60	0.0	-70.61	445.73	3.85	-66.76
CC[C@H](C)[C@H](O)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039040	1	60	0.0	-73.43	446.61	3.90	-69.53
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@]12C[C@H]1[C@H](O)C2	REAL300029039041	0	56	0.0	-74.35	429.82	2.42	-71.93
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@]12C[C@H]1[C@H](O)C2	REAL300029039041	1	56	0.0	-74.16	429.83	2.42	-71.74
O=C(CCCCCF)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039042	0	59	0.0	-75.51	451.56	6.38	-69.13
O=C(CCCCCF)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039042	1	59	0.0	-74.78	450.34	6.30	-68.48
COC(F)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039043	0	51	0.0	-74.61	398.06	2.68	-71.93
COC(F)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039043	1	51	0.0	-77.21	397.88	2.67	-74.54
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CC1CC2	REAL300029039044	0	55	0.0	-70.43	418.41	5.81	-64.62
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CC1CC2	REAL300029039044	1	55	0.0	-73.12	418.23	5.81	-67.31
CCCC(C)=CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039045	0	60	0.0	-71.70	453.14	6.76	-64.94
CCCC(C)=CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039045	1	60	0.0	-71.05	451.76	6.70	-64.35
C=C[C@H](C)CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039046	0	57	0.0	-72.66	431.48	5.80	-66.86
C=C[C@H](C)CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039046	1	57	0.0	-71.70	430.27	5.73	-65.97
O=C(C=CC1CC1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039047	0	55	0.0	-70.06	424.99	6.03	-64.03
O=C(C=CC1CC1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039047	1	55	0.0	-72.58	424.81	6.02	-66.56
CC=C(CC)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039048	0	57	0.0	-73.19	429.82	5.91	-67.28
CC=C(CC)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039048	1	57	0.0	-71.32	427.24	5.99	-65.33
O=C(CC12CC(C1)C2)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039049	0	58	0.0	-70.18	433.21	6.54	-63.64
O=C(CC12CC(C1)C2)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039049	1	58	0.0	-72.83	433.03	6.54	-66.29
CCC(C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(C)O	REAL300029039050	0	60	0.0	-70.55	442.13	2.55	-68.00
CCC(C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(C)O	REAL300029039050	1	60	0.0	-75.89	444.96	3.24	-72.65
C=CC(C)(O)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039051	0	55	0.0	-72.66	421.13	2.09	-70.57
C=CC(C)(O)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039051	1	55	0.0	-72.08	419.92	2.01	-70.07
CCC(C)(CO)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039052	0	60	0.0	-70.69	443.16	2.37	-68.32
CCC(C)(CO)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039052	1	60	0.0	-76.66	441.82	2.29	-74.37
CN(C)C1(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029039053	1	59	0.0	-69.25	436.32	3.72	-65.53
CN(C)C1(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029039053	1	59	0.0	-72.75	442.25	3.67	-69.08
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CC(C1)CO2	REAL300029039054	0	56	0.0	-75.69	424.68	3.84	-71.85
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CC(C1)CO2	REAL300029039054	1	56	0.0	-71.65	422.86	3.83	-67.82
C[C@@H](C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(C)(C)O	REAL300029039055	0	60	0.0	-75.65	439.73	3.41	-72.24
C[C@@H](C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(C)(C)O	REAL300029039055	1	60	0.0	-74.87	438.52	3.33	-71.54
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CC(C1)OC2	REAL300029039056	0	56	0.0	-71.38	423.81	3.61	-67.77
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CC(C1)OC2	REAL300029039056	1	56	0.0	-73.92	423.41	3.62	-70.30
CC(O)C1CC1C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039057	0	58	0.0	-70.35	443.71	2.72	-67.63
CC(O)C1CC1C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039057	1	58	0.0	-72.92	432.19	4.44	-68.48
C[C@@H]1C[C@@]2(C(=O)NCCCC[N@@H+]3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3)C[C@@H]12	REAL300029039058	0	58	0.0	-73.60	440.43	6.53	-67.07
C[C@@H]1C[C@@]2(C(=O)NCCCC[N@H+]3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3)C[C@@H]12	REAL300029039058	1	58	0.0	-73.01	439.19	6.45	-66.56
O=C(CN1C=NC=N1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039059	0	53	0.0	-84.62	415.47	5.76	-78.86
O=C(CN1C=NC=N1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039059	1	53	0.0	-82.52	414.25	5.68	-76.84
CC1(C#CC(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029039060	0	56	0.0	-71.27	439.45	6.54	-64.73
CC1(C#CC(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029039060	1	56	0.0	-73.77	439.27	6.54	-67.23
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CCC1	REAL300029039061	0	52	0.0	-74.24	400.95	5.20	-69.04
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CCC1	REAL300029039061	1	52	0.0	-73.55	400.31	5.10	-68.45
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=C(F)O1	REAL300029039062	0	51	0.0	-69.24	405.48	4.27	-64.97
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=C(F)O1	REAL300029039062	1	51	0.0	-70.81	405.30	4.26	-66.55
CON=CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039063	0	51	0.0	-77.51	402.93	2.49	-75.02
CON=CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039063	1	51	0.0	-76.78	401.72	2.41	-74.37
C#CCC(C)(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039064	0	58	0.0	-70.50	441.33	6.15	-64.35
C#CCC(C)(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039064	1	58	0.0	-72.94	441.15	6.15	-66.79
CN(CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(N)=O	REAL300029039065	0	56	0.0	-76.88	429.77	1.33	-75.55
CN(CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(N)=O	REAL300029039065	1	56	0.0	-78.23	429.58	1.33	-76.90
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(F)CC1	REAL300029039067	0	51	0.0	-68.77	396.33	4.65	-64.12
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(F)CC1	REAL300029039067	1	51	0.0	-70.85	395.84	4.67	-66.18
O=C(COCCO)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039068	0	55	0.0	-76.50	425.39	1.03	-75.47
O=C(COCCO)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039068	1	55	0.0	-79.56	425.20	1.03	-78.53
CC(C)(CF)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039069	0	56	0.0	-70.25	422.87	5.16	-65.09
CC(C)(CF)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039069	1	56	0.0	-72.43	422.69	5.16	-67.27
CC(C)[C@@H](O)CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039070	0	60	0.0	-76.12	447.08	3.80	-72.32
CC(C)[C@@H](O)CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039070	1	60	0.0	-75.49	445.87	3.72	-71.77
CSC1(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029039071	0	55	0.0	-71.99	434.57	5.64	-66.35
CSC1(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029039071	1	55	0.0	-71.64	433.24	5.55	-66.09
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NOCC1	REAL300029039072	0	52	0.0	-70.50	403.48	2.69	-67.81
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NOCC1	REAL300029039072	1	52	0.0	-71.78	403.31	2.68	-69.10
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(CCO)CC1	REAL300029039073	0	58	0.0	-70.63	444.13	2.50	-68.13
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(CCO)CC1	REAL300029039073	1	58	0.0	-73.57	443.99	2.56	-71.01
CC(C)C(C)(O)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039074	0	60	0.0	-68.94	441.43	2.69	-66.25
CC(C)C(C)(O)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039074	1	60	0.0	-70.62	441.06	2.67	-67.95
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NN=CS1	REAL300029039076	0	49	0.0	-71.68	398.01	2.19	-69.49
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NN=CS1	REAL300029039076	1	49	0.0	-72.98	397.83	2.19	-70.79
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(F)C1CCC1	REAL300029039077	0	57	0.0	-71.00	431.49	5.89	-65.11
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(F)C1CCC1	REAL300029039077	1	57	0.0	-74.28	429.89	5.89	-68.39
CC1(C)CC(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300029039078	0	58	0.0	-74.86	438.20	4.76	-70.10
CC1(C)CC(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300029039078	1	58	0.0	-76.82	431.84	4.62	-72.20
CC1CC(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=NO1	REAL300029039079	0	55	0.0	-70.24	424.57	3.45	-66.79
CC1CC(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=NO1	REAL300029039079	1	55	0.0	-71.63	424.38	3.43	-68.20
CC1(F)CC(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029039080	0	57	0.0	-75.91	433.48	5.83	-70.08
CC1(F)CC(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029039080	1	57	0.0	-71.79	433.42	5.78	-66.01
COCC(O)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039081	0	55	0.0	-73.30	423.58	1.02	-72.28
COCC(O)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039081	1	55	0.0	-75.90	423.41	1.01	-74.89
C#CC(C)(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039082	0	55	0.0	-76.85	424.73	5.59	-71.26
C#CC(C)(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039082	1	55	0.0	-76.12	423.52	5.51	-70.61
COC(C)C(O)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039083	0	58	0.0	-70.06	439.72	2.10	-67.96
COC(C)C(O)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039083	1	58	0.0	-75.34	441.69	1.88	-73.46
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@H]1CNC(=O)N1	REAL300029039084	0	54	0.0	-81.64	415.77	-0.70	-82.34
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@H]1CNC(=O)N1	REAL300029039084	1	54	0.0	-84.27	415.50	-0.72	-84.99
CCSC(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039085	0	57	0.0	-75.56	443.55	5.78	-69.78
CCSC(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039085	1	57	0.0	-74.98	442.24	5.71	-69.27
CC1CCN1CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039086	0	59	0.0	-75.31	437.76	2.47	-72.84
CC1CCN1CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039086	1	59	0.0	-73.96	437.48	2.63	-71.33
O=C(COC1CC1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039087	0	55	0.0	-74.27	424.39	4.95	-69.32
O=C(COC1CC1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039087	1	55	0.0	-77.09	424.20	4.94	-72.15
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NC=CN1	REAL300029039088	0	51	0.0	-71.28	397.89	2.88	-68.40
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NC=CN1	REAL300029039088	1	51	0.0	-73.08	397.71	2.87	-70.21
O=C(C=CC1CCC1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039089	0	58	0.0	-69.81	441.42	6.56	-63.25
O=C(C=CC1CCC1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039089	1	58	0.0	-72.40	441.24	6.55	-65.85
CCCC=CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039090	0	57	0.0	-73.12	436.63	6.07	-67.05
CCCC=CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039090	1	57	0.0	-72.39	435.42	5.99	-66.40
CC=C(F)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039091	0	51	0.0	-70.94	399.02	4.59	-66.35
CC=C(F)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039091	1	51	0.0	-70.28	397.81	4.51	-65.77
CCC(C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(C)C	REAL300029039092	0	62	0.0	-68.96	449.38	6.21	-62.75
CCC(C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(C)C	REAL300029039092	1	62	0.0	-72.17	449.77	6.24	-65.93
CSC(C)(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039093	0	57	0.0	-73.14	434.80	5.42	-67.72
CSC(C)(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039093	1	57	0.0	-76.10	434.62	5.42	-70.68
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(F)=C1CCC1	REAL300029039094	0	55	0.0	-71.09	425.26	5.99	-65.10
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(F)=C1CCC1	REAL300029039094	1	55	0.0	-70.39	424.05	5.92	-64.47
CCC(CO)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039095	0	57	0.0	-70.87	427.20	1.96	-68.91
CCC(CO)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039095	1	57	0.0	-71.52	425.29	2.26	-69.26
CC(CO)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039096	0	54	0.0	-70.85	409.57	1.23	-69.62
CC(CO)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039096	1	54	0.0	-73.02	409.39	1.22	-71.80
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CON=C1	REAL300029039097	0	50	0.0	-75.96	392.91	3.60	-72.36
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CON=C1	REAL300029039097	1	50	0.0	-74.72	392.99	3.55	-71.17
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1C[C@H]1CF	REAL300029039098	0	54	0.0	-75.65	419.02	5.49	-70.16
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1C[C@H]1CF	REAL300029039098	1	54	0.0	-75.72	417.71	5.42	-70.30
C#CC1(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029039099	0	53	0.0	-69.57	415.65	5.68	-63.89
C#CC1(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029039099	1	53	0.0	-71.76	415.46	5.68	-66.08
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=COCC1	REAL300029039100	0	53	0.0	-74.29	407.17	3.76	-70.53
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=COCC1	REAL300029039100	1	53	0.0	-73.59	405.96	3.68	-69.91
C[C@H](O)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039101	0	51	0.0	-75.27	391.27	1.79	-73.48
C[C@H](O)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039101	1	51	0.0	-77.37	390.40	1.68	-75.69
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(F)=NN1	REAL300029039102	0	51	0.0	-76.31	404.80	2.51	-73.80
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(F)=NN1	REAL300029039102	1	51	0.0	-75.60	403.59	2.43	-73.17
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1C=CCC1	REAL300029039103	0	55	0.0	-69.89	415.07	5.62	-64.27
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1C=CCC1	REAL300029039103	1	55	0.0	-72.46	414.91	5.62	-66.84
CC(O)C(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039104	0	57	0.0	-74.00	425.47	3.08	-70.92
CC(O)C(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039104	1	57	0.0	-75.66	426.30	2.93	-72.73
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(O)CCOC1	REAL300029039105	0	56	0.0	-72.81	421.72	0.09	-72.72
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(O)CCOC1	REAL300029039105	1	56	0.0	-74.63	421.54	0.08	-74.55
C=C1CC1C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039106	0	52	0.0	-70.50	403.51	5.18	-65.32
C=C1CC1C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039106	1	52	0.0	-73.03	403.33	5.18	-67.85
O=C(CC1CC=CC1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039107	0	58	0.0	-70.22	435.21	6.36	-63.86
O=C(CC1CC=CC1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039107	1	58	0.0	-72.76	435.30	6.34	-66.42
O=C(CCC[N+](=O)[O-])NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039109	0	55	0.0	-77.29	430.03	5.02	-72.27
O=C(CCC[N+](=O)[O-])NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039109	1	55	0.0	-79.97	429.85	5.01	-74.96
CC(CF)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039110	0	53	0.0	-70.13	404.97	4.65	-65.48
CC(CF)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039110	1	53	0.0	-72.37	404.60	4.63	-67.74
CC1(C)C=C(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029039111	0	58	0.0	-70.39	441.70	6.27	-64.12
CC1(C)C=C(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029039111	1	58	0.0	-73.08	442.06	6.33	-66.75
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CC1(F)F	REAL300029039112	0	51	0.0	-71.50	403.04	4.79	-66.71
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CC1(F)F	REAL300029039112	1	51	0.0	-76.22	401.28	4.80	-71.42
CC(=O)NCCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039113	0	57	0.0	-79.93	440.25	2.15	-77.78
CC(=O)NCCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039113	1	57	0.0	-82.93	440.07	2.13	-80.80
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CNC(=O)N1	REAL300029039114	0	52	0.0	-75.92	406.71	0.88	-75.04
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CNC(=O)N1	REAL300029039114	1	52	0.0	-84.30	406.28	0.77	-83.53
CC1CCCC1C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039115	0	60	0.0	-69.61	438.55	6.29	-63.32
CC1CCCC1C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039115	1	60	0.0	-72.71	439.77	6.29	-66.42
C=C(C)CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039116	0	54	0.0	-70.30	413.70	5.03	-65.27
C=C(C)CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039116	1	54	0.0	-72.90	413.78	5.03	-67.87
CCSCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039117	0	54	0.0	-72.53	423.97	5.16	-67.37
CCSCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039117	1	54	0.0	-75.26	423.78	5.16	-70.10
CC(C)=C(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039118	0	57	0.0	-72.07	423.44	5.83	-66.24
CC(C)=C(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039118	1	57	0.0	-72.26	424.04	5.91	-66.35
CCCC(O)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039119	0	57	0.0	-71.48	432.22	3.32	-68.16
CCCC(O)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039119	1	57	0.0	-74.09	432.04	3.31	-70.78
CCCCC(O)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039120	0	60	0.0	-71.51	453.72	4.10	-67.41
CCCCC(O)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039120	1	60	0.0	-74.17	453.55	4.08	-70.09
COC(C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(C)O	REAL300029039121	0	58	0.0	-73.70	437.27	1.95	-71.75
COC(C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(C)O	REAL300029039121	1	58	0.0	-79.54	442.35	1.67	-77.87
O=C(CSC1CC1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039122	0	55	0.0	-72.23	434.55	5.99	-66.24
O=C(CSC1CC1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039122	1	55	0.0	-74.99	434.37	5.99	-69.00
CCC(O)CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039123	0	57	0.0	-72.94	431.61	2.99	-69.95
CCC(O)CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039123	1	57	0.0	-75.75	431.43	2.99	-72.76
CC(Cl)=CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039124	0	51	0.0	-74.39	406.02	5.04	-69.35
CC(Cl)=CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039124	1	51	0.0	-73.76	405.11	4.97	-68.79
CC=CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039125	0	51	0.0	-73.35	394.05	4.53	-68.82
CC=CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039125	1	51	0.0	-72.63	392.83	4.45	-68.18
CCC(F)(F)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039126	0	53	0.0	-68.91	411.20	4.75	-64.16
CCC(F)(F)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039126	1	53	0.0	-70.03	411.01	4.74	-65.29
CC1(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1F	REAL300029039127	0	54	0.0	-69.82	412.97	5.26	-64.56
CC1(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1F	REAL300029039127	1	54	0.0	-71.92	412.79	5.26	-66.66
O=C(C1=CC(=O)[N-]O1)N1CCC[N@@H+](CCCCNC(=O)[C@H]2C[C@@H](O)C2)CC1	REAL300029039128	0	55	0.0	-76.23	417.43	1.71	-74.52
O=C(C1=CC(=O)[N-]O1)N1CCC[N@H+](CCCCNC(=O)[C@H]2C[C@@H](O)C2)CC1	REAL300029039128	1	55	0.0	-76.26	417.40	1.69	-74.57
CC1(C)CC1CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039129	0	60	0.0	-70.26	450.42	6.53	-63.73
CC1(C)CC1CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039129	1	60	0.0	-72.92	450.24	6.52	-66.40
CC(NC(N)=O)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039130	0	56	0.0	-74.79	430.60	-0.41	-75.20
CC(NC(N)=O)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039130	1	56	0.0	-76.77	430.42	-0.41	-77.18
C=C(C)CCCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039131	0	60	0.0	-70.59	456.86	6.61	-63.98
C=C(C)CCCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039131	1	60	0.0	-73.23	456.67	6.61	-66.62
CC1(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC(F)C1	REAL300029039132	0	57	0.0	-72.58	429.83	5.74	-66.84
CC1(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC(F)C1	REAL300029039132	1	57	0.0	-71.84	427.47	5.68	-66.16
C[C@@H]1C[C@H]1C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039133	0	54	0.0	-69.98	411.40	5.30	-64.68
C[C@@H]1C[C@H]1C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039133	1	54	0.0	-72.79	411.13	5.29	-67.50
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CC[C@@H]2C[C@@H]21	REAL300029039134	0	58	0.0	-73.63	433.52	6.46	-67.17
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CC[C@@H]2C[C@@H]21	REAL300029039134	1	58	0.0	-72.91	432.32	6.36	-66.55
O=C(COC1COC1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039135	0	56	0.0	-75.24	431.78	2.74	-72.50
O=C(COC1COC1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039135	1	56	0.0	-77.93	431.60	2.73	-75.20
C[C@@H]1C[C@]2(C(=O)NCCCC[N@@H+]3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3)C[C@H]12	REAL300029039136	0	58	0.0	-70.13	438.07	6.42	-63.71
C[C@@H]1C[C@]2(C(=O)NCCCC[N@H+]3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3)C[C@H]12	REAL300029039136	1	58	0.0	-70.01	438.08	6.42	-63.59
CNC(=O)CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039137	0	54	0.0	-80.59	415.53	2.89	-77.70
CNC(=O)CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039137	1	54	0.0	-83.97	415.34	2.89	-81.08
C=CC=CCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039138	0	55	0.0	-70.95	427.60	5.81	-65.14
C=CC=CCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039138	1	55	0.0	-73.43	427.42	5.80	-67.63
C#CC1(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300029039139	0	56	0.0	-69.54	431.46	6.13	-63.41
C#CC1(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300029039139	1	56	0.0	-71.77	431.28	6.13	-65.64
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC=CCO1	REAL300029039141	0	56	0.0	-73.70	425.51	5.08	-68.62
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC=CCO1	REAL300029039141	1	56	0.0	-76.31	425.35	5.07	-71.24
O=C(CCOC1CC1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039142	0	58	0.0	-73.34	446.37	4.73	-68.61
O=C(CCOC1CC1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039142	1	58	0.0	-72.71	445.16	4.65	-68.06
O=C(CCCCCO)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039143	0	60	0.0	-76.41	456.39	2.90	-73.51
O=C(CCCCCO)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039143	1	60	0.0	-75.64	455.17	2.82	-72.82
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CSC=N1	REAL300029039144	0	50	0.0	-70.45	402.08	3.15	-67.30
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CSC=N1	REAL300029039144	1	50	0.0	-72.62	401.90	3.14	-69.48
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(CO)CCC1	REAL300029039145	0	58	0.0	-73.65	433.23	3.06	-70.59
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(CO)CCC1	REAL300029039145	1	58	0.0	-73.04	431.20	2.92	-70.12
NC(=O)CCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039146	0	54	0.0	-72.95	417.12	0.67	-72.28
NC(=O)CCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039146	1	54	0.0	-74.66	416.94	0.66	-74.00
C=CCC1(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029039147	0	58	0.0	-70.34	446.17	6.39	-63.95
C=CCC1(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029039147	1	58	0.0	-73.32	446.44	6.47	-66.85
O=C(COC(F)F)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039148	0	51	0.0	-73.30	403.76	3.56	-69.74
O=C(COC(F)F)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039148	1	51	0.0	-75.54	403.58	3.55	-71.99
COC(C)(C)CC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039149	0	60	0.0	-74.71	442.50	5.14	-69.57
COC(C)(C)CC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039149	1	60	0.0	-73.35	441.46	5.07	-68.28
CC(O)CCC(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039150	0	57	0.0	-70.38	432.74	2.10	-68.28
CC(O)CCC(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039150	1	57	0.0	-72.60	432.56	2.10	-70.50
C#CCC(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039151	0	55	0.0	-70.39	424.59	5.70	-64.69
C#CCC(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039151	1	55	0.0	-72.69	424.41	5.69	-67.00
CC(CCO)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039152	0	57	0.0	-77.04	429.56	1.87	-75.17
CC(CCO)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039152	1	57	0.0	-76.35	428.35	1.81	-74.54
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(F)=CC1CC1	REAL300029039153	0	55	0.0	-70.84	430.56	6.15	-64.69
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(F)=CC1CC1	REAL300029039153	1	55	0.0	-70.23	429.35	6.07	-64.16
O=C(CC1CC(F)C1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039154	0	57	0.0	-70.72	433.99	5.99	-64.73
O=C(CC1CC(F)C1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039154	1	57	0.0	-75.71	433.77	5.98	-69.73
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@H](O)CF	REAL300029039155	0	51	0.0	-73.84	396.54	1.87	-71.97
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@H](O)CF	REAL300029039155	1	51	0.0	-76.29	396.36	1.86	-74.43
CN1C=NN=C1C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039156	0	53	0.0	-75.41	412.33	5.31	-70.10
CN1C=NN=C1C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039156	1	53	0.0	-74.98	411.12	5.24	-69.74
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(O)CC1	REAL300029039157	0	52	0.0	-71.02	398.27	1.54	-69.48
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1(O)CC1	REAL300029039157	1	52	0.0	-72.88	398.09	1.54	-71.34
O=C(CC1CC1)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039158	0	54	0.0	-76.68	414.87	5.60	-71.08
O=C(CC1CC1)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039158	1	54	0.0	-76.55	414.86	5.63	-70.92
CC(C)(F)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039159	0	53	0.0	-75.60	404.11	4.45	-71.15
CC(C)(F)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039159	1	53	0.0	-73.91	403.68	4.47	-69.44
CC(F)(F)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039160	0	50	0.0	-73.88	388.86	4.01	-69.87
CC(F)(F)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039160	1	50	0.0	-74.00	390.07	4.05	-69.95
COCC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039161	0	51	0.0	-79.74	396.66	3.46	-76.28
COCC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039161	1	51	0.0	-79.83	396.64	3.49	-76.34
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC=CC=N2)CC1)C1=CC(=O)[N-]O1	REAL300029039162	0	53	0.0	-74.86	411.72	5.38	-69.48
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC=CC=N2)CC1)C1=CC(=O)[N-]O1	REAL300029039162	1	53	0.0	-75.33	411.05	5.52	-69.81
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC=NC=C2)CC1)C1=CC(=O)[N-]O1	REAL300029039163	0	53	0.0	-78.70	413.87	4.27	-74.43
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC=NC=C2)CC1)C1=CC(=O)[N-]O1	REAL300029039163	1	53	0.0	-83.92	408.36	4.04	-79.88
CCCC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039164	0	53	0.0	-74.71	405.73	4.88	-69.83
CCCC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039164	1	53	0.0	-76.07	405.41	4.86	-71.21
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC=CN=C2)CC1)C1=CC(=O)[N-]O1	REAL300029039165	0	53	0.0	-79.99	409.14	4.03	-75.96
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC=CN=C2)CC1)C1=CC(=O)[N-]O1	REAL300029039165	1	53	0.0	-80.79	407.62	3.96	-76.83
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC=CO2)CC1)C1=CC(=O)[N-]O1	REAL300029039166	0	51	0.0	-78.01	399.91	4.42	-73.59
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC=CO2)CC1)C1=CC(=O)[N-]O1	REAL300029039166	1	51	0.0	-78.25	398.77	4.43	-73.82
CC(=O)NCC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039167	0	54	0.0	-78.39	422.79	1.73	-76.66
CC(=O)NCC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039167	1	54	0.0	-78.90	422.58	1.70	-77.20
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC=CC=C2)CC1)C1=CC(=O)[N-]O1	REAL300029039168	0	54	0.0	-76.30	419.06	6.04	-70.26
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC=CC=C2)CC1)C1=CC(=O)[N-]O1	REAL300029039168	1	54	0.0	-76.22	419.03	6.00	-70.22
CC(C)CC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039169	0	56	0.0	-75.49	422.15	5.42	-70.07
CC(C)CC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039169	1	56	0.0	-75.57	422.14	5.44	-70.13
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2CCCCC2)CC1)C1=CC(=O)[N-]O1	REAL300029039170	0	60	0.0	-77.25	442.11	6.39	-70.86
O=C(NCCCC[N@H+]1CCCN(C(=O)C2CCCCC2)CC1)C1=CC(=O)[N-]O1	REAL300029039170	1	60	0.0	-76.88	440.44	6.29	-70.59
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CN=CC=N2)CC1)C1=CC(=O)[N-]O1	REAL300029039171	0	52	0.0	-77.97	406.56	3.51	-74.46
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CN=CC=N2)CC1)C1=CC(=O)[N-]O1	REAL300029039171	1	52	0.0	-78.40	405.87	3.63	-74.77
O=C(CC1CCCC1)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039172	0	60	0.0	-74.54	447.69	6.75	-67.79
O=C(CC1CCCC1)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039172	1	60	0.0	-75.89	447.15	6.70	-69.19
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC=CS2)CC1)C1=CC(=O)[N-]O1	REAL300029039173	0	51	0.0	-81.07	403.51	4.73	-76.34
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC=CS2)CC1)C1=CC(=O)[N-]O1	REAL300029039173	1	51	0.0	-81.94	402.40	4.67	-77.27
CC1CC1C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039174	0	54	0.0	-74.80	410.08	5.51	-69.29
CC1CC1C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039174	1	54	0.0	-78.59	414.90	5.47	-73.12
CCOCC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039175	0	54	0.0	-78.35	418.79	4.46	-73.89
CCOCC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039175	1	54	0.0	-79.72	418.49	4.45	-75.27
CC(C)=CC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039176	0	54	0.0	-73.86	413.11	5.37	-68.49
CC(C)=CC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039176	1	54	0.0	-74.41	412.36	5.38	-69.03
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=COCCO2)CC1)C1=CC(=O)[N-]O1	REAL300029039177	0	54	0.0	-76.82	415.13	3.39	-73.43
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=COCCO2)CC1)C1=CC(=O)[N-]O1	REAL300029039177	1	54	0.0	-83.56	412.60	2.89	-80.67
CC(=O)NC(C)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039178	0	57	0.0	-79.27	440.27	2.29	-76.98
CC(=O)NC(C)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039178	1	57	0.0	-80.24	436.69	2.21	-78.03
CC1=CC=C(C(=O)N2CCC[N@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300029039179	0	54	0.0	-77.85	422.22	5.29	-72.56
CC1=CC=C(C(=O)N2CCC[N@@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300029039179	1	54	0.0	-77.14	421.82	5.27	-71.87
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2CCCO2)CC1)C1=CC(=O)[N-]O1	REAL300029039180	0	55	0.0	-80.41	417.07	4.46	-75.95
O=C(NCCCC[N@H+]1CCCN(C(=O)C2CCCO2)CC1)C1=CC(=O)[N-]O1	REAL300029039180	1	55	0.0	-80.24	416.64	4.48	-75.76
CSCC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039181	0	51	0.0	-79.30	407.00	4.53	-74.77
CSCC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039181	1	51	0.0	-79.30	406.98	4.55	-74.75
CC1=CC(C(=O)N2CCC[N@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)=NO1	REAL300029039182	0	53	0.0	-74.51	415.25	4.80	-69.71
CC1=CC(C(=O)N2CCC[N@@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)=NO1	REAL300029039182	1	53	0.0	-74.37	416.44	4.76	-69.61
CSCCC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039183	0	54	0.0	-75.90	428.66	5.31	-70.59
CSCCC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039183	1	54	0.0	-75.93	428.65	5.33	-70.60
CC(C)CCC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039184	0	59	0.0	-76.21	444.49	6.13	-70.08
CC(C)CCC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039184	1	59	0.0	-76.32	444.48	6.14	-70.18
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CSC=C2)CC1)C1=CC(=O)[N-]O1	REAL300029039185	0	51	0.0	-76.12	409.04	4.99	-71.13
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CSC=C2)CC1)C1=CC(=O)[N-]O1	REAL300029039185	1	51	0.0	-82.24	402.08	4.80	-77.44
CC1=C(C(=O)N2CCC[N@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)C=CO1	REAL300029039186	0	54	0.0	-80.73	411.73	4.64	-76.09
CC1=C(C(=O)N2CCC[N@@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)C=CO1	REAL300029039186	1	54	0.0	-81.25	413.59	4.70	-76.55
O=C(CC1C=CCC1)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039187	0	58	0.0	-76.37	439.50	6.61	-69.76
O=C(CC1C=CCC1)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039187	1	58	0.0	-76.35	439.73	6.59	-69.76
O=C(CN1C=NN=N1)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039188	0	52	0.0	-91.50	413.03	3.60	-87.90
O=C(CN1C=NN=N1)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039188	1	52	0.0	-95.56	412.69	3.55	-92.01
CN1C=C(C(=O)N2CCC[N@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)C=N1	REAL300029039189	0	54	0.0	-81.78	415.13	3.47	-78.31
CN1C=C(C(=O)N2CCC[N@@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)C=N1	REAL300029039189	1	54	0.0	-81.43	416.37	3.54	-77.89
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2CC=CCC2)CC1)C1=CC(=O)[N-]O1	REAL300029039190	0	58	0.0	-76.63	432.48	6.20	-70.43
O=C(NCCCC[N@H+]1CCCN(C(=O)C2CC=CCC2)CC1)C1=CC(=O)[N-]O1	REAL300029039190	1	58	0.0	-76.37	436.28	6.33	-70.04
CC1=NOC(C(=O)N2CCC[N@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300029039191	0	53	0.0	-77.15	415.34	4.19	-72.96
CC1=NOC(C(=O)N2CCC[N@@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300029039191	1	53	0.0	-77.22	416.57	4.26	-72.96
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC=CN2)CC1)C1=CC(=O)[N-]O1	REAL300029039192	0	52	0.0	-79.43	403.02	4.40	-75.03
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC=CN2)CC1)C1=CC(=O)[N-]O1	REAL300029039192	1	52	0.0	-84.45	398.58	4.57	-79.88
CC(=O)CCCC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039193	0	58	0.0	-84.86	450.01	5.53	-79.33
CC(=O)CCCC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039193	1	58	0.0	-85.09	450.11	5.55	-79.54
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=COC=C2)CC1)C1=CC(=O)[N-]O1	REAL300029039194	0	51	0.0	-84.40	394.97	3.93	-80.47
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=COC=C2)CC1)C1=CC(=O)[N-]O1	REAL300029039194	1	51	0.0	-85.29	393.80	3.90	-81.39
O=C(CN1C=CC=N1)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039195	0	54	0.0	-81.98	424.40	4.48	-77.50
O=C(CN1C=CC=N1)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039195	1	54	0.0	-85.67	424.10	4.44	-81.23
CC1=C(C(=O)N2CCC[N@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)OC=C1	REAL300029039196	0	54	0.0	-77.90	418.36	5.13	-72.77
CC1=C(C(=O)N2CCC[N@@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)OC=C1	REAL300029039196	1	54	0.0	-78.36	416.74	5.12	-73.24
CCCCCC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039197	0	59	0.0	-76.11	448.42	6.40	-69.71
CCCCCC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039197	1	59	0.0	-76.15	448.41	6.42	-69.73
CC(C)(C)CC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039198	0	59	0.0	-74.92	437.11	5.94	-68.98
CC(C)(C)CC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039198	1	59	0.0	-74.87	437.11	5.98	-68.89
CN1C=CC=C1C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039199	0	55	0.0	-75.96	421.53	5.43	-70.53
CN1C=CC=C1C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039199	1	55	0.0	-76.06	420.79	5.47	-70.59
CCCCC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039200	0	56	0.0	-74.86	427.23	5.66	-69.20
CCCCC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039200	1	56	0.0	-76.21	426.91	5.64	-70.57
CC(C)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039201	0	53	0.0	-75.96	401.71	4.52	-71.44
CC(C)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039201	1	53	0.0	-76.43	398.79	4.44	-71.99
CCC(C)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039202	0	56	0.0	-75.94	420.32	5.16	-70.78
CCC(C)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039202	1	56	0.0	-76.49	416.89	5.05	-71.44
CC(C)SCC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039203	0	57	0.0	-77.52	447.03	6.10	-71.42
CC(C)SCC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039203	1	57	0.0	-79.19	446.72	6.08	-73.11
N#CCSCC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039204	0	52	0.0	-88.35	427.78	5.18	-83.17
N#CCSCC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039204	1	52	0.0	-88.36	427.79	5.19	-83.17
CC(=O)N(C)CC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039205	0	57	0.0	-82.18	441.50	4.09	-78.09
CC(=O)N(C)CC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039205	1	57	0.0	-83.73	440.90	4.04	-79.69
CCC(CC)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039206	0	59	0.0	-75.79	440.84	5.81	-69.98
CCC(CC)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039206	1	59	0.0	-76.43	438.81	5.86	-70.57
CC(C)OCCC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039207	0	60	0.0	-76.04	459.71	4.84	-71.20
CC(C)OCCC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039207	1	60	0.0	-76.07	459.72	4.87	-71.20
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2COCCO2)CC1)C1=CC(=O)[N-]O1	REAL300029039208	0	56	0.0	-80.54	423.90	3.19	-77.35
O=C(NCCCC[N@H+]1CCCN(C(=O)C2COCCO2)CC1)C1=CC(=O)[N-]O1	REAL300029039208	1	56	0.0	-80.85	425.53	3.22	-77.63
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC=NN2)CC1)C1=CC(=O)[N-]O1	REAL300029039209	0	51	0.0	-78.45	397.70	2.92	-75.53
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC=NN2)CC1)C1=CC(=O)[N-]O1	REAL300029039209	1	51	0.0	-78.49	397.78	2.94	-75.55
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=NNC=C2)CC1)C1=CC(=O)[N-]O1	REAL300029039209	1	51	0.0	-76.76	398.48	3.16	-73.60
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=NNC=C2)CC1)C1=CC(=O)[N-]O1	REAL300029039209	1	51	0.0	-77.10	397.31	3.16	-73.94
CSC(C)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039210	0	54	0.0	-80.15	421.95	4.92	-75.23
CSC(C)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039210	1	54	0.0	-80.26	420.89	4.91	-75.35
CCOC(C)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039211	0	57	0.0	-79.12	432.78	4.85	-74.27
CCOC(C)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039211	1	57	0.0	-80.80	432.07	4.85	-75.95
CCOCCCC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039212	0	60	0.0	-79.12	460.95	4.87	-74.25
CCOCCCC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039212	1	60	0.0	-79.13	460.94	4.89	-74.24
O=C(COCC1CC1)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039213	0	58	0.0	-80.01	450.20	5.99	-74.02
O=C(COCC1CC1)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039213	1	58	0.0	-80.04	450.16	6.02	-74.02
O=C(CC1CCCO1)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039214	0	58	0.0	-79.17	440.01	5.07	-74.10
O=C(CC1CCCO1)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039214	1	58	0.0	-78.13	440.01	5.11	-73.02
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CNN=C2)CC1)C1=CC(=O)[N-]O1	REAL300029039215	0	51	0.0	-81.26	393.44	2.22	-79.04
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CNN=C2)CC1)C1=CC(=O)[N-]O1	REAL300029039215	1	51	0.0	-81.61	392.20	2.16	-79.45
COCCCC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039216	0	57	0.0	-79.12	439.10	3.91	-75.21
COCCCC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039216	1	57	0.0	-79.21	439.08	3.93	-75.28
CCSCCC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039217	0	57	0.0	-74.78	450.42	6.23	-68.55
CCSCCC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039217	1	57	0.0	-75.77	450.12	6.21	-69.56
CCOC1CC1C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039218	0	58	0.0	-76.03	447.55	6.09	-69.94
CCOC1CC1C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039218	1	58	0.0	-80.51	446.61	6.04	-74.47
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=NSN=C2)CC1)C1=CC(=O)[N-]O1	REAL300029039219	0	49	0.0	-75.42	396.26	2.73	-72.69
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=NSN=C2)CC1)C1=CC(=O)[N-]O1	REAL300029039219	1	49	0.0	-75.73	395.26	2.79	-72.94
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CN=NS2)CC1)C1=CC(=O)[N-]O1	REAL300029039220	1	49	0.0	-87.25	393.17	2.35	-84.90
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CN=NS2)CC1)C1=CC(=O)[N-]O1	REAL300029039220	1	49	0.0	-86.74	393.01	2.36	-84.38
COC(=O)NCC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039221	0	55	0.0	-78.66	433.63	1.14	-77.52
COC(=O)NCC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039221	1	55	0.0	-79.36	433.42	1.11	-78.25
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=NOC=C2)CC1)C1=CC(=O)[N-]O1	REAL300029039222	0	50	0.0	-75.25	394.50	3.92	-71.33
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=NOC=C2)CC1)C1=CC(=O)[N-]O1	REAL300029039222	1	50	0.0	-75.40	393.33	3.96	-71.44
CCCSCC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039223	0	57	0.0	-79.10	449.93	6.23	-72.87
CCCSCC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039223	1	57	0.0	-79.10	449.94	6.24	-72.86
CC(=CC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029039224	0	58	0.0	-77.40	440.58	6.80	-70.60
CC(=CC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029039224	1	58	0.0	-74.41	440.24	6.83	-67.58
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CC(C#N)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039254	1	51	0.0	-88.36	397.30	4.03	-84.33
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CC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039319	0	47	0.0	-76.06	363.59	3.31	-72.75
CC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039319	1	47	0.0	-79.04	362.60	3.28	-75.76
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C=C1CC(C)(C(=O)N2CCC[N@@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029039375	1	58	0.0	-77.75	435.77	5.95	-71.80
O=C(NCCCC[N@H+]1CCCN(C(=O)C2(CF)CC2)CC1)C1=CC(=O)[N-]O1	REAL300029039376	0	54	0.0	-78.02	416.57	5.18	-72.84
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2(CF)CC2)CC1)C1=CC(=O)[N-]O1	REAL300029039376	1	54	0.0	-81.32	411.56	5.01	-76.31
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2CC3(CC3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029039377	0	58	0.0	-76.84	441.48	6.67	-70.17
O=C(NCCCC[N@H+]1CCCN(C(=O)C2CC3(CC3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029039377	1	58	0.0	-76.61	442.53	6.68	-69.93
CCCCCCC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039378	0	62	0.0	-76.17	469.92	7.18	-68.99
CCCCCCC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039378	1	62	0.0	-76.21	469.90	7.20	-69.01
CC(C)C(C)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039379	0	59	0.0	-75.61	437.44	5.68	-69.93
CC(C)C(C)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039379	1	59	0.0	-75.87	432.81	5.63	-70.24
CC1CCC(C(=O)N2CCC[N@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029039380	0	60	0.0	-76.35	446.54	6.42	-69.93
CC1CCC(C(=O)N2CCC[N@@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029039380	1	60	0.0	-76.44	444.26	6.36	-70.08
C#CCOCCC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039381	0	56	0.0	-77.65	445.22	4.64	-73.01
C#CCOCCC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039381	1	56	0.0	-77.64	445.23	4.67	-72.97
C#CCOC(C)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039382	0	56	0.0	-82.94	440.32	5.41	-77.53
C#CCOC(C)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039382	1	56	0.0	-83.73	437.85	5.38	-78.35
CC(C)(C(N)=O)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039383	0	57	0.0	-88.34	424.03	2.21	-86.13
CC(C)(C(N)=O)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039383	1	57	0.0	-89.06	422.69	2.18	-86.88
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2(C3CC3)CC2)CC1)C1=CC(=O)[N-]O1	REAL300029039384	0	58	0.0	-77.02	426.02	6.36	-70.66
O=C(NCCCC[N@H+]1CCCN(C(=O)C2(C3CC3)CC2)CC1)C1=CC(=O)[N-]O1	REAL300029039384	1	58	0.0	-76.60	427.82	6.40	-70.20
COC1CC(C(=O)N2CCC[N@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029039385	0	58	0.0	-79.79	443.65	4.29	-75.50
COC1CC(C(=O)N2CCC[N@@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029039385	1	58	0.0	-76.57	442.61	4.25	-72.32
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039386	0	55	0.0	-83.24	428.58	1.70	-81.54
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039386	1	55	0.0	-81.49	427.12	2.22	-79.27
CC[C@@H](C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1)N(C)C	REAL300029039387	1	61	0.0	-75.95	445.81	3.48	-72.47
CC[C@@H](C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1)N(C)C	REAL300029039387	1	61	0.0	-76.94	441.50	3.14	-73.80
O=C(NCCCC[N@H+]1CCCN(C(=O)C2(CF)CCC2)CC1)C1=CC(=O)[N-]O1	REAL300029039388	0	57	0.0	-78.84	427.26	5.54	-73.30
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2(CF)CCC2)CC1)C1=CC(=O)[N-]O1	REAL300029039388	1	57	0.0	-78.96	424.99	5.49	-73.47
CC[C@@H]1C[C@H]1C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039389	0	57	0.0	-79.93	436.50	6.27	-73.66
CC[C@@H]1C[C@H]1C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039389	1	57	0.0	-75.87	436.91	6.23	-69.64
CC(C)CCCC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039390	0	62	0.0	-76.00	465.99	6.91	-69.09
CC(C)CCCC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039390	1	62	0.0	-76.13	465.97	6.92	-69.21
O=C(CN1C=NC=N1)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039391	0	53	0.0	-86.69	418.90	5.85	-80.84
O=C(CN1C=NC=N1)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039391	1	53	0.0	-88.87	418.92	5.87	-83.00
NC(=O)NCCC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039392	0	56	0.0	-86.42	437.95	-0.37	-86.79
NC(=O)NCCC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039392	1	56	0.0	-88.24	437.65	-0.39	-88.63
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=NSC=C2)CC1)C1=CC(=O)[N-]O1	REAL300029039393	0	50	0.0	-73.97	401.50	4.23	-69.74
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=NSC=C2)CC1)C1=CC(=O)[N-]O1	REAL300029039393	1	50	0.0	-74.23	400.64	4.31	-69.92
CC(C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300029039394	0	60	0.0	-75.95	449.43	6.49	-69.46
CC(C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300029039394	1	60	0.0	-76.33	444.86	6.40	-69.93
CC1CC(C(=O)N2CCC[N@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)CO1	REAL300029039395	0	58	0.0	-77.48	438.09	4.01	-73.47
CC1CC(C(=O)N2CCC[N@@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)CO1	REAL300029039395	1	58	0.0	-79.11	435.87	4.00	-75.11
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2CC23CC3)CC1)C1=CC(=O)[N-]O1	REAL300029039396	0	55	0.0	-81.17	426.35	6.28	-74.89
O=C(NCCCC[N@H+]1CCCN(C(=O)C2CC23CC3)CC1)C1=CC(=O)[N-]O1	REAL300029039396	1	55	0.0	-76.43	426.58	6.26	-70.17
O=C(CC1=CN=CN1)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039397	0	54	0.0	-82.66	423.60	4.57	-78.09
O=C(CC1=CN=CN1)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039397	1	54	0.0	-84.00	423.30	4.55	-79.45
C=CCC(C)(C)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039398	0	60	0.0	-76.06	440.21	5.79	-70.27
C=CCC(C)(C)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039398	1	60	0.0	-77.86	440.23	5.77	-72.09
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2CC23CCC3)CC1)C1=CC(=O)[N-]O1	REAL300029039399	0	58	0.0	-75.48	441.45	6.75	-68.73
O=C(NCCCC[N@H+]1CCCN(C(=O)C2CC23CCC3)CC1)C1=CC(=O)[N-]O1	REAL300029039399	1	58	0.0	-75.45	441.44	6.75	-68.70
CC1=CNC=C1C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039400	0	55	0.0	-85.81	416.61	4.27	-81.54
CC1=CNC=C1C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039400	1	55	0.0	-84.29	419.13	4.38	-79.91
CN1C=CC(C(=O)N2CCC[N@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300029039401	0	54	0.0	-76.97	420.12	4.50	-72.47
CN1C=CC(C(=O)N2CCC[N@@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300029039401	1	54	0.0	-76.64	421.28	4.50	-72.14
O=C(NCCCC[N@H+]1CCCN(C(=O)C2(F)CCCC2)CC1)C1=CC(=O)[N-]O1	REAL300029039402	0	57	0.0	-74.29	427.54	5.75	-68.54
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2(F)CCCC2)CC1)C1=CC(=O)[N-]O1	REAL300029039402	1	57	0.0	-77.04	426.59	5.75	-71.29
CN1C=NC=C1C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039403	0	54	0.0	-78.68	421.41	5.19	-73.49
CN1C=NC=C1C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039403	1	54	0.0	-77.67	415.71	5.09	-72.58
CN(C)C(=O)CC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039404	0	57	0.0	-88.20	438.22	5.02	-83.18
CN(C)C(=O)CC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039404	1	57	0.0	-88.20	437.78	5.02	-83.18
O=C(NCCCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300029039405	0	58	0.0	-74.81	447.93	7.07	-67.74
O=C(NCCCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300029039405	1	58	0.0	-79.97	447.39	7.08	-72.89
COCCC(C)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039406	0	60	0.0	-79.50	450.60	4.10	-75.40
COCCC(C)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039406	1	60	0.0	-79.99	450.06	4.10	-75.89
CCC(C)(CC)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039407	0	62	0.0	-77.02	443.18	5.71	-71.31
CCC(C)(CC)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039407	1	62	0.0	-77.75	441.06	5.64	-72.11
COCC1(C(=O)N2CCC[N@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029039408	0	58	0.0	-79.09	446.33	4.17	-74.92
COCC1(C(=O)N2CCC[N@@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029039408	1	58	0.0	-79.74	444.56	4.15	-75.59
COCC(C)(C)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039409	0	60	0.0	-77.01	442.61	3.85	-73.16
COCC(C)(C)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039409	1	60	0.0	-78.29	442.31	3.80	-74.49
O=C(NCCCC[N@@H+]1CCCN(C(=O)[C@H]2CCCO2)CC1)C1=CC(=O)[N-]O1	REAL300029039410	0	55	0.0	-79.37	417.01	4.49	-74.88
O=C(NCCCC[N@H+]1CCCN(C(=O)[C@H]2CCCO2)CC1)C1=CC(=O)[N-]O1	REAL300029039410	1	55	0.0	-80.00	413.15	4.38	-75.62
O=C(CCC(F)F)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039411	0	53	0.0	-78.68	418.09	5.11	-73.57
O=C(CCC(F)F)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039411	1	53	0.0	-80.00	418.06	5.12	-74.88
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(F)=CN2)CC1)C1=CC(=O)[N-]O1	REAL300029039412	0	52	0.0	-87.81	405.01	4.65	-83.16
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(F)=CN2)CC1)C1=CC(=O)[N-]O1	REAL300029039412	1	52	0.0	-87.25	405.92	4.56	-82.69
CC1(CC(=O)N2CCC[N@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029039413	0	57	0.0	-75.92	434.83	6.09	-69.83
CC1(CC(=O)N2CCC[N@@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029039413	1	57	0.0	-75.88	434.13	6.14	-69.74
O=C(NCCCC[N@H+]1CCCN(C(=O)C2(CCF)CC2)CC1)C1=CC(=O)[N-]O1	REAL300029039414	0	57	0.0	-76.53	435.41	5.80	-70.73
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2(CCF)CC2)CC1)C1=CC(=O)[N-]O1	REAL300029039414	1	57	0.0	-77.19	438.23	5.94	-71.25
O=C(NCCCC[N@@H+]1CCCN(C(=O)[C@]23C[C@H]2COC3)CC1)C1=CC(=O)[N-]O1	REAL300029039415	0	56	0.0	-76.88	428.05	3.88	-73.00
O=C(NCCCC[N@H+]1CCCN(C(=O)[C@]23C[C@H]2COC3)CC1)C1=CC(=O)[N-]O1	REAL300029039415	1	56	0.0	-80.42	426.06	3.89	-76.53
CC1(C(=O)N2CCC[N@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029039416	0	54	0.0	-76.53	413.61	5.16	-71.37
CC1(C(=O)N2CCC[N@@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029039416	1	54	0.0	-77.00	413.08	5.14	-71.86
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CNC=C2)CC1)C1=CC(=O)[N-]O1	REAL300029039417	0	52	0.0	-75.99	403.86	3.99	-72.00
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CNC=C2)CC1)C1=CC(=O)[N-]O1	REAL300029039417	1	52	0.0	-80.10	397.31	3.73	-76.37
CC(CC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029039418	0	60	0.0	-75.63	451.81	6.88	-68.75
CC(CC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029039418	1	60	0.0	-75.71	451.82	6.90	-68.81
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CSN=N2)CC1)C1=CC(=O)[N-]O1	REAL300029039419	0	49	0.0	-73.39	396.44	3.12	-70.27
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CSN=N2)CC1)C1=CC(=O)[N-]O1	REAL300029039419	1	49	0.0	-73.74	396.23	3.10	-70.64
CC1(C(=O)N2CCC[N@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)CCCC1	REAL300029039420	0	60	0.0	-76.87	436.71	5.98	-70.89
CC1(C(=O)N2CCC[N@@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)CCCC1	REAL300029039420	1	60	0.0	-77.88	433.59	5.91	-71.97
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CN=CO2)CC1)C1=CC(=O)[N-]O1	REAL300029039421	0	50	0.0	-80.56	394.84	1.13	-79.43
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CN=CO2)CC1)C1=CC(=O)[N-]O1	REAL300029039421	1	50	0.0	-80.96	393.64	1.14	-79.82
CNC(=O)NCC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039422	0	56	0.0	-79.40	437.66	0.38	-79.02
CNC(=O)NCC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039422	1	56	0.0	-79.77	437.44	0.35	-79.42
C=CCCOCC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039423	0	58	0.0	-79.65	452.79	5.80	-73.85
C=CCCOCC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039423	1	58	0.0	-79.74	452.80	5.81	-73.93
C=CCOC(C)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039424	0	58	0.0	-80.83	446.35	5.40	-75.43
C=CCOC(C)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039424	1	58	0.0	-81.22	444.97	5.42	-75.80
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COC1(C(=O)N2CCC[N@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300029039578	0	58	0.0	-75.11	436.49	4.30	-70.81
COC1(C(=O)N2CCC[N@@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300029039578	1	58	0.0	-74.51	433.82	4.39	-70.12
C=CCCC(=O)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039579	0	56	0.0	-73.74	436.66	5.40	-68.34
C=CCCC(=O)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039579	1	56	0.0	-73.56	437.47	5.28	-68.28
CC(O)CCCC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039580	0	60	0.0	-77.91	458.77	3.10	-74.81
CC(O)CCCC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039580	1	60	0.0	-79.28	458.71	3.12	-76.16
CC(=O)OCC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039581	0	53	0.0	-79.06	420.19	5.08	-73.98
CC(=O)OCC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039581	1	53	0.0	-79.85	419.97	5.07	-74.78
CC(=O)NCCC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039582	0	57	0.0	-87.56	444.72	2.37	-85.19
CC(=O)NCCC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039582	1	57	0.0	-87.67	444.71	2.41	-85.26
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CNC(=O)N2)CC1)C1=CC(=O)[N-]O1	REAL300029039583	0	52	0.0	-83.65	404.64	1.58	-82.07
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CNC(=O)N2)CC1)C1=CC(=O)[N-]O1	REAL300029039583	1	52	0.0	-95.46	402.04	0.37	-95.09
CN(C)C(C)(C)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039584	1	61	0.0	-73.53	438.64	4.54	-68.99
CN(C)C(C)(C)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039584	1	61	0.0	-75.76	435.62	4.98	-70.78
O=C(NCCCC[N@H+]1CCCN(C(=O)C(F)(F)CO)CC1)C1=CC(=O)[N-]O1	REAL300029039585	0	51	0.0	-75.82	398.52	1.98	-73.84
O=C(NCCCC[N@@H+]1CCCN(C(=O)C(F)(F)CO)CC1)C1=CC(=O)[N-]O1	REAL300029039585	1	51	0.0	-76.23	400.46	1.43	-74.80
CC1(C#CC(=O)N2CCC[N@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029039586	0	56	0.0	-76.19	445.03	6.81	-69.38
CC1(C#CC(=O)N2CCC[N@@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029039586	1	56	0.0	-76.92	444.71	6.79	-70.13
CC(=O)C=CC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039587	0	53	0.0	-79.16	420.00	4.55	-74.61
CC(=O)C=CC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039587	1	53	0.0	-78.87	419.86	4.56	-74.31
O=C(COC1CC1)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039588	0	55	0.0	-80.87	428.86	5.20	-75.67
O=C(COC1CC1)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039588	1	55	0.0	-80.88	428.84	5.22	-75.66
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=NC=CN2)CC1)C1=CC(=O)[N-]O1	REAL300029039589	0	51	0.0	-73.85	398.59	3.70	-70.15
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=NC=CN2)CC1)C1=CC(=O)[N-]O1	REAL300029039589	1	51	0.0	-74.01	397.49	3.80	-70.21
O=C(C=CC1CCC1)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039590	0	58	0.0	-78.55	445.01	6.81	-71.74
O=C(C=CC1CCC1)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039590	1	58	0.0	-79.09	445.18	6.76	-72.33
CSC(C)(C)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039591	0	57	0.0	-81.00	429.86	5.05	-75.95
CSC(C)(C)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039591	1	57	0.0	-81.65	428.29	5.01	-76.64
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=NN=CS2)CC1)C1=CC(=O)[N-]O1	REAL300029039592	0	49	0.0	-74.83	398.82	2.75	-72.08
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=NN=CS2)CC1)C1=CC(=O)[N-]O1	REAL300029039592	1	49	0.0	-74.87	397.69	2.78	-72.09
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2CC(=O)CO2)CC1)C1=CC(=O)[N-]O1	REAL300029039593	0	54	0.0	-84.15	420.01	3.57	-80.58
O=C(NCCCC[N@H+]1CCCN(C(=O)C2CC(=O)CO2)CC1)C1=CC(=O)[N-]O1	REAL300029039593	1	54	0.0	-83.26	419.78	3.49	-79.77
CC(C)NC(=O)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039594	0	57	0.0	-72.51	438.69	2.59	-69.92
CC(C)NC(=O)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039594	1	57	0.0	-72.36	439.55	2.48	-69.88
C=C(Cl)CCC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039595	0	54	0.0	-76.58	435.24	5.92	-70.66
C=C(Cl)CCC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039595	1	54	0.0	-75.57	435.25	5.95	-69.62
CC1=C(C(=O)N2CCC[N@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)CCO1	REAL300029039596	0	56	0.0	-79.78	416.84	4.21	-75.57
CC1=C(C(=O)N2CCC[N@@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)CCO1	REAL300029039596	1	56	0.0	-79.14	418.49	4.26	-74.88
CN1C=CN=C1C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039597	0	54	0.0	-73.45	415.92	5.54	-67.91
CN1C=CN=C1C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039597	1	54	0.0	-73.27	416.89	5.46	-67.81
CC(CO)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039598	0	54	0.0	-76.76	412.42	1.23	-75.53
CC(CO)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039598	1	54	0.0	-77.07	409.35	1.11	-75.96
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CON=C2)CC1)C1=CC(=O)[N-]O1	REAL300029039599	0	50	0.0	-81.93	389.22	3.24	-78.69
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CON=C2)CC1)C1=CC(=O)[N-]O1	REAL300029039599	1	50	0.0	-88.10	388.50	3.41	-84.69
O=C(CCCCO)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039600	0	57	0.0	-77.58	438.35	2.29	-75.29
O=C(CCCCO)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039600	1	57	0.0	-77.57	438.32	2.30	-75.27
O=C(NCCCC[N@@H+]1CCCN(C(=O)C(=O)C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300029039601	0	53	0.0	-73.45	413.52	4.72	-68.73
O=C(NCCCC[N@H+]1CCCN(C(=O)C(=O)C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300029039601	1	53	0.0	-73.64	412.61	4.82	-68.82
O=C(NCCCC[N@@H+]1CCCN(C(=O)[C@@H]2COC(=O)N2)CC1)C1=CC(=O)[N-]O1	REAL300029039602	0	53	0.0	-90.28	414.04	0.52	-89.76
O=C(NCCCC[N@H+]1CCCN(C(=O)[C@@H]2COC(=O)N2)CC1)C1=CC(=O)[N-]O1	REAL300029039602	1	53	0.0	-91.15	415.39	0.57	-90.58
O=C(CC1(O)CC1)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039603	0	55	0.0	-80.69	426.67	2.90	-77.79
O=C(CC1(O)CC1)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039603	1	55	0.0	-80.79	426.86	2.64	-78.15
O=C(NCCCC[N@H+]1CCCN(C(=O)C2CCC2F)CC1)C1=CC(=O)[N-]O1	REAL300029039604	0	54	0.0	-74.52	416.27	5.37	-69.15
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2CCC2F)CC1)C1=CC(=O)[N-]O1	REAL300029039604	1	54	0.0	-79.78	413.69	5.39	-74.39
O=C(NCCCC[N@H+]1CCCN(C(=O)C(F)C2CCC2)CC1)C1=CC(=O)[N-]O1	REAL300029039605	0	57	0.0	-82.56	434.08	6.03	-76.53
O=C(NCCCC[N@@H+]1CCCN(C(=O)C(F)C2CCC2)CC1)C1=CC(=O)[N-]O1	REAL300029039605	1	57	0.0	-81.98	433.08	6.07	-75.91
CC1(C)CC(C(=O)N2CCC[N@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300029039606	0	58	0.0	-80.72	440.79	4.89	-75.83
CC1(C)CC(C(=O)N2CCC[N@@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300029039606	1	58	0.0	-82.05	442.36	4.87	-77.18
O=C(NCCCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2CF)CC1)C1=CC(=O)[N-]O1	REAL300029039607	0	54	0.0	-80.92	421.53	5.60	-75.32
O=C(NCCCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2CF)CC1)C1=CC(=O)[N-]O1	REAL300029039607	1	54	0.0	-79.35	422.14	5.59	-73.76
O=C(NCCCC[N@H+]1CCCN(C(=O)C(F)=C2CCC2)CC1)C1=CC(=O)[N-]O1	REAL300029039608	0	55	0.0	-73.90	424.04	5.94	-67.96
O=C(NCCCC[N@@H+]1CCCN(C(=O)C(F)=C2CCC2)CC1)C1=CC(=O)[N-]O1	REAL300029039608	1	55	0.0	-73.45	424.65	6.01	-67.44
CCC(CO)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039609	0	57	0.0	-77.32	432.19	1.85	-75.47
CCC(CO)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039609	1	57	0.0	-77.54	431.35	1.94	-75.60
O=C(CC(O)C1CC1)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039610	0	58	0.0	-77.78	443.62	4.21	-73.57
O=C(CC(O)C1CC1)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039610	1	58	0.0	-79.45	446.85	3.95	-75.50
CC(C)CC(F)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039611	0	59	0.0	-83.78	447.67	6.10	-77.68
CC(C)CC(F)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039611	1	59	0.0	-79.84	448.97	6.14	-73.70
CC(=CC1CC1)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039612	0	58	0.0	-74.95	448.08	6.72	-68.23
CC(=CC1CC1)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039612	1	58	0.0	-76.25	448.15	6.73	-69.52
N#C[C@H]1C[C@H]1C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039613	0	52	0.0	-86.77	411.17	5.11	-81.66
N#C[C@H]1C[C@H]1C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039613	1	52	0.0	-90.95	410.49	5.12	-85.83
O=C(CC1=CN=CO1)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039614	0	53	0.0	-82.33	419.66	1.95	-80.38
O=C(CC1=CN=CO1)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039614	1	53	0.0	-84.11	419.34	1.91	-82.20
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=COCC2)CC1)C1=CC(=O)[N-]O1	REAL300029039615	0	53	0.0	-80.20	401.40	3.44	-76.76
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=COCC2)CC1)C1=CC(=O)[N-]O1	REAL300029039615	1	53	0.0	-80.88	400.01	3.39	-77.49
CC(C)(O)CCC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039616	0	60	0.0	-76.24	453.82	2.88	-73.36
CC(C)(O)CCC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039616	1	60	0.0	-77.35	453.79	2.87	-74.48
CC1=CC=C(C(=O)N2CCC[N@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300029039617	0	55	0.0	-77.86	425.00	4.99	-72.87
CC1=CC=C(C(=O)N2CCC[N@@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300029039617	1	55	0.0	-83.20	421.35	5.06	-78.14
O=C(NCCCC[N@H+]1CCCN(C(=O)C2(O)CC2)CC1)C1=CC(=O)[N-]O1	REAL300029039618	0	52	0.0	-75.70	405.22	1.38	-74.32
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2(O)CC2)CC1)C1=CC(=O)[N-]O1	REAL300029039618	1	52	0.0	-80.04	401.86	1.68	-78.36
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CCC2)CC1)C1=CC(=O)[N-]O1	REAL300029039619	0	52	0.0	-80.87	395.24	4.96	-75.91
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CCC2)CC1)C1=CC(=O)[N-]O1	REAL300029039619	1	52	0.0	-80.56	396.50	5.03	-75.53
CC1CC(C(=O)N2CCC[N@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)=NO1	REAL300029039620	0	55	0.0	-74.63	425.58	3.99	-70.64
CC1CC(C(=O)N2CCC[N@@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)=NO1	REAL300029039620	1	55	0.0	-74.67	425.46	4.00	-70.67
CC(CF)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039621	0	53	0.0	-76.13	405.12	4.58	-71.55
CC(CF)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039621	1	53	0.0	-77.03	404.56	4.52	-72.51
CC(Cl)=CC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039622	0	51	0.0	-80.60	409.05	5.17	-75.43
CC(Cl)=CC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039622	1	51	0.0	-80.09	408.91	5.18	-74.91
CC=CC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039623	0	51	0.0	-79.01	396.76	4.66	-74.35
CC=CC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039623	1	51	0.0	-78.37	396.61	4.69	-73.68
CCC(F)(F)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039624	0	53	0.0	-73.89	413.34	4.81	-69.08
CCC(F)(F)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039624	1	53	0.0	-73.93	413.09	4.85	-69.08
CC1(C(=O)N2CCC[N@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)CC1F	REAL300029039625	0	54	0.0	-83.69	411.01	5.04	-78.65
CC1(C(=O)N2CCC[N@@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)CC1F	REAL300029039625	1	54	0.0	-76.56	418.95	5.19	-71.37
O=C(NCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC(=O)O2)CC1)C1=CC(=O)[N-]O1	REAL300029039626	0	54	0.0	-92.86	415.15	5.04	-87.82
O=C(NCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCC(=O)O2)CC1)C1=CC(=O)[N-]O1	REAL300029039626	1	54	0.0	-89.56	419.48	5.27	-84.29
O=C(C=CCF)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039627	0	51	0.0	-82.85	402.90	4.79	-78.06
O=C(C=CCF)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039627	1	51	0.0	-81.83	402.79	4.81	-77.02
O=C(NCCCC[N@H+]1CCCN(C(=O)C(F)CC2CC2)CC1)C1=CC(=O)[N-]O1	REAL300029039628	0	57	0.0	-82.84	441.23	6.33	-76.51
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COC(F)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039656	1	51	0.0	-84.06	401.18	2.86	-81.20
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CC1(C(=O)N2CCC[N@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)CC(F)C1	REAL300029039677	0	57	0.0	-78.21	428.65	5.54	-72.67
CC1(C(=O)N2CCC[N@@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)CC(F)C1	REAL300029039677	1	57	0.0	-80.61	428.07	5.53	-75.08
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CC(C)(O)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039679	1	54	0.0	-74.93	406.90	1.52	-73.41
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CC(C)C(C)(O)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039691	0	60	0.0	-74.01	438.14	2.96	-71.05
CC(C)C(C)(O)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039691	1	60	0.0	-74.46	435.79	2.73	-71.73
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CC(C)(C#N)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039696	1	54	0.0	-88.82	409.53	4.17	-84.65
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CC(=O)OCCC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039698	1	56	0.0	-82.80	440.94	5.06	-77.74
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CC(C)=C(C)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039699	1	57	0.0	-76.03	434.88	5.83	-70.20
CC1(CCC(=O)N2CCC[N@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)N=N1	REAL300029039700	0	56	0.0	-74.79	437.59	0.70	-74.09
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CCC(O)C(C)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039708	0	60	0.0	-77.65	444.53	4.03	-73.62
CCC(O)C(C)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039708	1	60	0.0	-79.74	446.82	3.63	-76.11
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O=C(NCCCC[N@@H+]1CCCN(C(=O)C(O)C2CCC2)CC1)C1=CC(=O)[N-]O1	REAL300029039710	1	58	0.0	-77.72	433.13	3.56	-74.16
CC1(O)CC(C(=O)N2CCC[N@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029039712	0	58	0.0	-76.68	441.60	2.54	-74.14
CC1(O)CC(C(=O)N2CCC[N@@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029039712	1	58	0.0	-78.10	441.30	2.51	-75.59
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COC(C)C(O)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039723	1	58	0.0	-75.67	429.36	1.94	-73.73
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CCSC(C)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039725	0	57	0.0	-78.47	443.71	5.85	-72.62
CCSC(C)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039725	1	57	0.0	-80.10	442.35	5.82	-74.28
CC1CCN1CC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039726	0	59	0.0	-78.22	441.20	2.60	-75.62
CC1CCN1CC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039726	1	59	0.0	-77.96	447.78	2.95	-75.01
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CO[C@H](C)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039729	1	54	0.0	-80.47	411.55	3.90	-76.57
CC(=O)CCC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039730	0	55	0.0	-75.46	428.92	4.79	-70.67
CC(=O)CCC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039730	1	55	0.0	-76.05	428.50	4.76	-71.29
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CCN(CC)CC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039733	1	61	0.0	-76.63	449.40	3.71	-72.92
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CC(C)C(O)CC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039735	0	60	0.0	-77.64	450.45	3.96	-73.68
CC(C)C(O)CC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039735	1	60	0.0	-79.29	450.52	3.95	-75.34
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2COC(=O)C2)CC1)C1=CC(=O)[N-]O1	REAL300029039736	0	54	0.0	-86.28	417.04	4.29	-81.99
O=C(NCCCC[N@H+]1CCCN(C(=O)C2COC(=O)C2)CC1)C1=CC(=O)[N-]O1	REAL300029039736	1	54	0.0	-85.84	412.52	4.16	-81.68
CC(O)C(C)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039737	0	57	0.0	-78.36	425.91	3.34	-75.02
CC(O)C(C)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039737	1	57	0.0	-79.73	426.27	2.80	-76.93
O=C(NCCCC[N@H+]1CCCN(C(=O)C2(O)CCOC2)CC1)C1=CC(=O)[N-]O1	REAL300029039738	0	56	0.0	-84.66	411.95	-0.04	-84.70
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2(O)CCOC2)CC1)C1=CC(=O)[N-]O1	REAL300029039738	1	56	0.0	-78.53	423.52	0.31	-78.22
CCC(C)(C#N)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039739	0	57	0.0	-75.33	431.17	4.74	-70.59
CCC(C)(C#N)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039739	1	57	0.0	-79.81	429.61	4.66	-75.15
C=C1CC1C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039740	0	52	0.0	-76.60	407.74	5.36	-71.24
C=C1CC1C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039740	1	52	0.0	-79.31	407.09	5.40	-73.91
O=C(CC1CC=CC1)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039741	0	58	0.0	-76.65	439.97	6.60	-70.05
O=C(CC1CC=CC1)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039741	1	58	0.0	-76.80	439.68	6.61	-70.19
O=C(CC1OCCO1)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039742	0	56	0.0	-77.72	431.05	3.50	-74.22
O=C(CC1OCCO1)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039742	1	56	0.0	-78.27	431.04	3.54	-74.73
COC(OC)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039743	0	55	0.0	-84.31	417.83	3.09	-81.22
COC(OC)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039743	1	55	0.0	-80.45	419.05	3.20	-77.25
O=C(CCC[N+](=O)[O-])N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039744	0	55	0.0	-85.06	434.53	5.24	-79.82
O=C(CCC[N+](=O)[O-])N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039744	1	55	0.0	-85.07	434.50	5.25	-79.82
N#CC1(CC(=O)N2CCC[N@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029039745	0	55	0.0	-87.63	431.91	5.68	-81.95
N#CC1(CC(=O)N2CCC[N@@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029039745	1	55	0.0	-85.31	431.91	5.71	-79.60
COC(=O)CCC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039746	0	56	0.0	-76.24	439.67	4.91	-71.33
COC(=O)CCC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039746	1	56	0.0	-77.06	439.38	4.89	-72.17
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CCCOC2)CC1)C1=CC(=O)[N-]O1	REAL300029039747	0	56	0.0	-76.48	430.86	4.01	-72.47
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CCCOC2)CC1)C1=CC(=O)[N-]O1	REAL300029039747	1	56	0.0	-78.06	431.09	3.99	-74.07
CC(C)(C)C(O)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039748	0	60	0.0	-76.21	438.26	3.77	-72.44
CC(C)(C)C(O)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039748	1	60	0.0	-76.73	437.69	3.76	-72.97
CC1(C(=O)N2CCC[N@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)COC1	REAL300029039749	0	55	0.0	-78.70	414.66	2.80	-75.90
CC1(C(=O)N2CCC[N@@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)COC1	REAL300029039749	1	55	0.0	-79.63	413.79	2.80	-76.83
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CCCCO2)CC1)C1=CC(=O)[N-]O1	REAL300029039750	0	56	0.0	-77.30	423.05	5.09	-72.21
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CCCCO2)CC1)C1=CC(=O)[N-]O1	REAL300029039750	1	56	0.0	-75.90	422.87	5.09	-70.81
CC1(C(=O)N2CCC[N@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)CCCO1	REAL300029039751	0	58	0.0	-72.83	431.67	4.31	-68.52
CC1(C(=O)N2CCC[N@@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)CCCO1	REAL300029039751	1	58	0.0	-73.11	431.56	4.29	-68.82
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2CC(=O)N2)CC1)C1=CC(=O)[N-]O1	REAL300029039752	0	52	0.0	-88.63	406.86	0.26	-88.37
O=C(NCCCC[N@H+]1CCCN(C(=O)C2CC(=O)N2)CC1)C1=CC(=O)[N-]O1	REAL300029039752	1	52	0.0	-86.71	408.17	0.60	-86.11
O=C(NCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N2)CC1)C1=CC(=O)[N-]O1	REAL300029039753	0	52	0.0	-88.68	406.81	0.30	-88.38
O=C(NCCCC[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N2)CC1)C1=CC(=O)[N-]O1	REAL300029039753	1	52	0.0	-86.99	407.99	0.35	-86.64
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CCCCC2)CC1)C1=CC(=O)[N-]O1	REAL300029039754	0	58	0.0	-76.40	439.81	6.42	-69.98
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CCCCC2)CC1)C1=CC(=O)[N-]O1	REAL300029039754	1	58	0.0	-75.51	440.00	6.39	-69.12
CCC[C@H](O)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039755	0	57	0.0	-77.72	432.06	3.23	-74.49
CCC[C@H](O)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039755	1	57	0.0	-79.15	430.69	3.26	-75.89
CC1CC(C)(C(=O)N2CCC[N@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029039756	0	60	0.0	-76.59	443.34	6.06	-70.53
CC1CC(C)(C(=O)N2CCC[N@@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029039756	1	60	0.0	-77.55	437.31	5.95	-71.60
CC(C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1)N1CCC1	REAL300029039757	0	59	0.0	-78.05	442.09	2.54	-75.51
CC(C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1)N1CCC1	REAL300029039757	1	59	0.0	-78.46	439.15	2.47	-75.99
O=C(NCCCC[N@H+]1CCCN(C(=O)[C@H]2CC2(F)F)CC1)C1=CC(=O)[N-]O1	REAL300029039758	0	51	0.0	-80.47	405.88	5.04	-75.43
O=C(NCCCC[N@@H+]1CCCN(C(=O)[C@H]2CC2(F)F)CC1)C1=CC(=O)[N-]O1	REAL300029039758	1	51	0.0	-85.05	405.02	5.01	-80.04
O=C(CC1=CNN=C1)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039759	0	54	0.0	-80.14	424.08	3.58	-76.56
O=C(CC1=CNN=C1)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039759	1	54	0.0	-81.54	423.77	3.54	-78.00
CC1(C(=O)N2CCC[N@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)CC(=O)C1	REAL300029039760	0	56	0.0	-83.47	422.08	4.42	-79.05
CC1(C(=O)N2CCC[N@@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)CC(=O)C1	REAL300029039760	1	56	0.0	-82.15	424.95	4.54	-77.61
O=C(CC1=CNC=C1)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039761	0	55	0.0	-77.48	428.95	4.99	-72.49
O=C(CC1=CNC=C1)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039761	1	55	0.0	-77.96	428.63	4.96	-73.00
CCCC(C)(O)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039762	0	60	0.0	-74.33	447.32	2.97	-71.36
CCCC(C)(O)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039762	1	60	0.0	-74.91	445.22	2.96	-71.95
CCOC(C)(C)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039763	0	60	0.0	-81.38	440.52	4.95	-76.43
CCOC(C)(C)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039763	1	60	0.0	-82.00	438.99	4.90	-77.10
O=C(CC1CC(=O)C1)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039764	0	56	0.0	-82.22	434.85	5.25	-76.97
O=C(CC1CC(=O)C1)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039764	1	56	0.0	-83.39	434.54	5.23	-78.16
O=C(CC1CSC1)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039765	0	55	0.0	-82.04	431.60	5.77	-76.27
O=C(CC1CSC1)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039765	1	55	0.0	-81.76	431.61	5.76	-76.00
O=C(NCCCC[N@H+]1CCCN(C(=O)C2(F)CCC2)CC1)C1=CC(=O)[N-]O1	REAL300029039766	0	54	0.0	-78.96	407.48	5.02	-73.94
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2(F)CCC2)CC1)C1=CC(=O)[N-]O1	REAL300029039766	1	54	0.0	-75.94	413.91	5.25	-70.69
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CNC=N2)CC1)C1=CC(=O)[N-]O1	REAL300029039767	0	51	0.0	-74.47	398.33	4.59	-69.88
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CNC=N2)CC1)C1=CC(=O)[N-]O1	REAL300029039767	1	51	0.0	-74.86	397.18	4.67	-70.19
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CN=CN2)CC1)C1=CC(=O)[N-]O1	REAL300029039767	1	51	0.0	-87.08	394.20	4.25	-82.83
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CN=CN2)CC1)C1=CC(=O)[N-]O1	REAL300029039767	1	51	0.0	-87.44	393.36	4.33	-83.11
CC1=NOC(C(=O)N2CCC[N@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300029039768	0	52	0.0	-81.89	410.17	1.61	-80.28
CC1=NOC(C(=O)N2CCC[N@@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300029039768	1	52	0.0	-81.75	411.45	1.67	-80.08
CCOC(=O)CC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039769	0	56	0.0	-82.66	438.03	5.98	-76.68
CCOC(=O)CC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039769	1	56	0.0	-84.45	437.72	5.94	-78.51
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2CC(=O)C2)CC1)C1=CC(=O)[N-]O1	REAL300029039770	0	53	0.0	-81.85	412.03	4.37	-77.48
O=C(NCCCC[N@H+]1CCCN(C(=O)C2CC(=O)C2)CC1)C1=CC(=O)[N-]O1	REAL300029039770	1	53	0.0	-81.12	412.98	4.39	-76.73
O=C(CN1C=CN=N1)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039771	0	53	0.0	-87.76	418.31	3.18	-84.58
O=C(CN1C=CN=N1)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039771	1	53	0.0	-89.80	418.24	3.16	-86.64
C=CC1(C(=O)N2CCC[N@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300029039772	0	58	0.0	-78.98	426.61	5.83	-73.15
C=CC1(C(=O)N2CCC[N@@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300029039772	1	58	0.0	-75.72	430.27	6.34	-69.38
O=C(NCCCC[N@H+]1CCCN(C(=O)C2(O)COC2)CC1)C1=CC(=O)[N-]O1	REAL300029039773	0	53	0.0	-80.48	403.19	-0.16	-80.64
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2(O)COC2)CC1)C1=CC(=O)[N-]O1	REAL300029039773	1	53	0.0	-77.36	405.28	0.16	-77.20
CCC(C)C(O)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039774	0	60	0.0	-77.47	444.58	3.80	-73.67
CCC(C)C(O)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039774	1	60	0.0	-78.79	443.51	3.85	-74.94
CC(C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1)=C1CC1	REAL300029039775	0	55	0.0	-80.88	416.75	5.70	-75.18
CC(C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1)=C1CC1	REAL300029039775	1	55	0.0	-80.51	419.91	5.76	-74.75
CC1=CC1C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039776	0	52	0.0	-76.50	409.39	5.50	-71.00
CC1=CC1C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039776	1	52	0.0	-76.31	408.71	5.51	-70.80
CN(C)C(=O)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039777	0	54	0.0	-79.70	422.36	2.64	-77.06
CN(C)C(=O)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039777	1	54	0.0	-79.67	422.59	2.63	-77.04
CC(=O)C1(C(=O)N2CCC[N@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029039778	0	56	0.0	-76.04	436.20	5.03	-71.01
CC(=O)C1(C(=O)N2CCC[N@@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029039778	1	56	0.0	-75.32	436.78	5.04	-70.28
CCCC(O)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039779	0	57	0.0	-78.14	433.20	3.28	-74.86
CCCC(O)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039779	1	57	0.0	-77.80	432.04	3.27	-74.53
CCCCC(O)C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039780	0	60	0.0	-78.02	452.44	4.03	-73.99
CCCCC(O)C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039780	1	60	0.0	-79.37	452.21	4.03	-75.34
COC(C(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1)C(C)O	REAL300029039781	0	58	0.0	-78.26	442.39	1.75	-76.51
COC(C(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1)C(C)O	REAL300029039781	1	58	0.0	-78.98	436.11	2.05	-76.93
O=C(CSC1CC1)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039782	0	55	0.0	-79.07	439.03	6.25	-72.82
O=C(CSC1CC1)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039782	1	55	0.0	-79.02	439.01	6.27	-72.75
CCC(O)CC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039783	0	57	0.0	-77.80	436.39	3.25	-74.55
CCC(O)CC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039783	1	57	0.0	-79.56	436.09	3.22	-76.34
CNC(=O)CCC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039784	0	57	0.0	-77.63	443.52	2.38	-75.25
CNC(=O)CCC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039784	1	57	0.0	-77.61	443.53	2.41	-75.20
O=C(CCCCF)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039785	0	56	0.0	-77.17	433.52	5.76	-71.41
O=C(CCCCF)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039785	1	56	0.0	-77.25	433.49	5.77	-71.48
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CSN=C2)CC1)C1=CC(=O)[N-]O1	REAL300029039786	0	50	0.0	-81.37	398.15	3.40	-77.97
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CSN=C2)CC1)C1=CC(=O)[N-]O1	REAL300029039786	1	50	0.0	-78.42	404.07	3.80	-74.62
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2CCC(=O)C2)CC1)C1=CC(=O)[N-]O1	REAL300029039787	0	56	0.0	-80.04	426.64	4.81	-75.23
O=C(NCCCC[N@H+]1CCCN(C(=O)C2CCC(=O)C2)CC1)C1=CC(=O)[N-]O1	REAL300029039787	1	56	0.0	-80.13	429.65	4.95	-75.18
O=C(NCCCC[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N2)CC1)C1=CC(=O)[N-]O1	REAL300029039788	0	52	0.0	-88.40	407.72	0.30	-88.10
O=C(NCCCC[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N2)CC1)C1=CC(=O)[N-]O1	REAL300029039788	1	52	0.0	-88.71	406.72	0.29	-88.42
O=C(CN1C=NC=N1)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039789	0	53	0.0	-86.69	418.90	5.85	-80.84
O=C(CN1C=NC=N1)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039789	1	53	0.0	-88.87	418.92	5.87	-83.00
COC1(C(=O)N2CCC[N@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029039790	0	55	0.0	-75.84	426.26	3.66	-72.18
COC1(C(=O)N2CCC[N@@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029039790	1	55	0.0	-74.00	426.72	3.82	-70.18
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2CSC2)CC1)C1=CC(=O)[N-]O1	REAL300029039791	0	52	0.0	-79.74	408.45	4.92	-74.82
O=C(NCCCC[N@H+]1CCCN(C(=O)C2CSC2)CC1)C1=CC(=O)[N-]O1	REAL300029039791	1	52	0.0	-78.29	410.05	4.98	-73.31
NC1=NC=C(C(=O)N2CCC[N@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300029039792	0	52	0.0	-79.69	408.74	-0.76	-80.45
NC1=NC=C(C(=O)N2CCC[N@@H+](CCCCNC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300029039792	1	52	0.0	-79.41	409.95	-0.74	-80.15
O=C(CC1(CO)CC1)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039793	0	58	0.0	-75.56	445.31	2.73	-72.83
O=C(CC1(CO)CC1)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039793	1	58	0.0	-76.20	445.98	2.79	-73.41
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2CCC=CO2)CC1)C1=CC(=O)[N-]O1	REAL300029039794	0	56	0.0	-80.75	424.55	5.48	-75.27
O=C(NCCCC[N@H+]1CCCN(C(=O)C2CCC=CO2)CC1)C1=CC(=O)[N-]O1	REAL300029039794	1	56	0.0	-79.27	424.97	5.49	-73.78
O=C(NCCCC[N@H+]1CCCN(C(=O)C2(O)CCCC2)CC1)C1=CC(=O)[N-]O1	REAL300029039795	0	58	0.0	-84.32	420.95	2.55	-81.77
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2(O)CCCC2)CC1)C1=CC(=O)[N-]O1	REAL300029039795	1	58	0.0	-80.38	423.93	3.20	-77.18
C=CC(=O)N1CCC[N@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039796	0	48	0.0	-79.16	375.01	3.80	-75.36
C=CC(=O)N1CCC[N@@H+](CCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039796	1	48	0.0	-78.64	374.88	3.82	-74.82
CCC1(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)COC1	REAL300029039797	0	58	0.0	-69.13	432.27	3.87	-65.26
CCC1(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)COC1	REAL300029039797	1	58	0.0	-71.55	432.11	3.86	-67.69
CC1(C(=O)NCCCC[N@@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCCO1	REAL300029039798	0	58	0.0	-68.36	434.17	4.09	-64.27
CC1(C(=O)NCCCC[N@H+]2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCCO1	REAL300029039798	1	58	0.0	-70.84	434.00	4.08	-66.76
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC(=O)N1	REAL300029039799	0	52	0.0	-83.37	404.92	0.26	-83.11
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC(=O)N1	REAL300029039799	1	52	0.0	-82.27	403.66	0.41	-81.86
C[C@@H]1OCC[C@@H]1C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039800	0	58	0.0	-72.57	430.15	3.88	-68.69
C[C@@H]1OCC[C@@H]1C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039800	1	58	0.0	-73.25	431.33	4.12	-69.13
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC(F)C1	REAL300029039801	0	54	0.0	-73.28	413.79	5.28	-68.00
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC(F)C1	REAL300029039801	1	54	0.0	-73.49	412.19	5.19	-68.30
CCC(O)C(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039802	0	60	0.0	-75.88	445.43	4.03	-71.85
CCC(O)C(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039802	1	60	0.0	-75.64	446.85	3.73	-71.91
O=C(CC1CC(=O)N1)NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039803	0	55	0.0	-77.66	424.38	0.78	-76.88
O=C(CC1CC(=O)N1)NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029039803	1	55	0.0	-80.49	424.20	0.78	-79.71
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(O)C1CCC1	REAL300029039804	0	58	0.0	-74.61	434.85	4.18	-70.43
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(O)C1CCC1	REAL300029039804	1	58	0.0	-74.16	435.72	3.85	-70.31
O=C(NCCCC[N@@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=NO1	REAL300029039805	0	50	0.0	-70.94	393.54	3.57	-67.37
O=C(NCCCC[N@H+]1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=NO1	REAL300029039805	1	50	0.0	-72.35	393.36	3.58	-68.77
C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029039955	0	46	0.0	-72.46	339.18	0.12	-72.34
C[N@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029039955	1	46	0.0	-61.73	341.14	0.11	-61.62
C[N@@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029039979	1	47	0.0	-48.87	354.40	-0.35	-49.22
C[N@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029039979	1	47	0.0	-45.90	343.21	-0.39	-46.29
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029040160	1	53	0.0	-56.26	406.57	2.82	-53.44
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+]1CCCCCC1	REAL300029040167	0	55	0.0	-51.47	386.87	1.83	-49.64
CC(C)[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029040169	0	55	0.0	-46.05	386.66	1.70	-44.35
CC(C)[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029040169	1	55	0.0	-47.03	394.64	1.99	-45.04
CC(C)[N@@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029040199	0	52	0.0	-65.30	374.64	1.48	-63.82
CC(C)[N@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029040199	1	52	0.0	-53.94	378.16	1.53	-52.41
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC(O)C1	REAL300029040223	0	53	0.0	-49.76	383.43	1.85	-47.91
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC3CCCC[N@H+]3C2)CC(O)C1	REAL300029040223	1	53	0.0	-48.05	391.67	2.17	-45.88
CC(C)C1=[NH+]C=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029040254	1	50	0.0	-51.70	389.99	2.27	-49.43
CC1=[NH+]C=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029040304	1	44	0.0	-67.54	349.94	1.17	-66.37
CC(C[NH+]1CCOCC1)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029040306	0	53	0.0	-63.80	391.20	0.15	-63.65
O=C(CCC[NH+]1CCCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029040328	0	55	0.0	-56.80	409.78	2.82	-53.98
CC(C)(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+]1CCCCC1	REAL300029040353	0	55	0.0	-55.22	376.26	1.77	-53.45
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2C[NH+]3CCC2CC3)CC(O)C1	REAL300029040371	0	50	0.0	-82.61	356.75	1.10	-81.51
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCCC3CCC[N@@H+]32)CC(O)C1	REAL300029040425	0	53	0.0	-53.16	382.64	2.23	-50.93
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCCC3CCC[N@H+]32)CC(O)C1	REAL300029040425	1	53	0.0	-46.67	375.98	1.57	-45.10
C[NH+](C)CCN1C=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C=N1	REAL300029040427	0	52	0.0	-71.96	404.20	0.66	-71.30
C[NH+](C)CCN1C=CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)=N1	REAL300029040441	0	52	0.0	-92.42	404.17	1.35	-91.07
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC[N@@H+]1C	REAL300029040447	0	49	0.0	-67.67	356.55	0.64	-67.03
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC[N@H+]1C	REAL300029040447	1	49	0.0	-67.51	361.04	0.95	-66.56
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029040450	1	53	0.0	-51.04	410.31	2.82	-48.22
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC[N@@H+]1C	REAL300029040453	0	52	0.0	-59.80	376.81	1.06	-58.74
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC[N@H+]1C	REAL300029040453	1	52	0.0	-64.94	385.32	1.84	-63.10
CC[N@@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029040477	1	50	0.0	-45.77	367.05	0.13	-45.64
CC[N@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029040477	1	50	0.0	-51.16	368.28	0.22	-50.94
CC[NH+](CC)CC(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029040534	0	51	0.0	-57.14	380.18	1.30	-55.84
C[NH+](C)CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)SC=C1	REAL300029040535	0	49	0.0	-71.66	388.60	2.07	-69.59
CC1CCC(C)[NH+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029040633	0	52	0.0	-65.76	376.84	1.45	-64.31
O=C(CCC[NH+]1CCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029040640	0	52	0.0	-71.40	389.79	2.06	-69.34
C[NH+](C)CC1=CC=CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)=C1	REAL300029040641	0	52	0.0	-71.57	394.99	2.66	-68.91
C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029040648	0	51	0.0	-67.93	387.39	2.20	-65.73
O=C(CC[NH+]1CCCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029040649	0	52	0.0	-71.22	385.38	2.06	-69.16
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029040653	0	52	0.0	-49.64	396.04	2.87	-46.77
CC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029040662	0	52	0.0	-59.65	375.75	1.69	-57.96
CC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029040662	1	52	0.0	-63.49	371.25	1.53	-61.96
CC(C)C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+]1CCCCC1	REAL300029040663	0	58	0.0	-54.65	400.76	2.42	-52.23
C[NH+](C)C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)C1=CC=CC=C1	REAL300029040666	1	52	0.0	-59.28	391.87	2.79	-56.49
CC(C)C[N@@H+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029040689	0	55	0.0	-60.60	403.07	2.35	-58.25
CC(C)C[N@H+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029040689	1	55	0.0	-61.66	399.52	2.32	-59.34
C[NH+](C)C1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CCC1	REAL300029040693	0	49	0.0	-78.96	351.35	0.70	-78.26
C[NH+](C)C(CN1C=CC=N1)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029040695	1	52	0.0	-81.70	386.54	1.41	-80.29
CC(C)[N@@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029040700	0	55	0.0	-67.96	393.28	1.94	-66.02
CC(C)[N@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029040700	1	55	0.0	-66.73	390.77	1.72	-65.01
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCC[N@@H+]2C2CCCC2)CC(O)C1	REAL300029040701	0	56	0.0	-56.04	398.91	2.90	-53.14
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCC[N@H+]2C2CCCC2)CC(O)C1	REAL300029040701	1	56	0.0	-50.27	407.11	2.85	-47.42
CC(C)[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+](C)C	REAL300029040722	0	51	0.0	-64.70	364.60	1.37	-63.33
C[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)C1CCC1	REAL300029040783	0	49	0.0	-51.06	370.56	1.52	-49.54
C[N@@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)C1CCC1	REAL300029040783	1	49	0.0	-66.56	367.48	1.54	-65.02
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+]1C(C)CCC1C	REAL300029040863	0	55	0.0	-47.96	375.17	1.01	-46.95
CN(CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)C1=CC=[NH+]C=C1	REAL300029040931	0	51	0.0	-64.62	396.02	1.29	-63.33
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029040943	1	48	0.0	-61.72	367.60	1.35	-60.37
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029040943	1	48	0.0	-62.72	371.19	1.53	-61.19
C[N@@H+]1CCCC1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029040952	0	52	0.0	-58.31	391.85	2.10	-56.21
C[N@H+]1CCCC1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029040952	1	52	0.0	-58.17	385.02	1.58	-56.59
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC(O)C1	REAL300029040964	0	53	0.0	-58.76	367.66	1.03	-57.73
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCC3CCCC[N@@H+]32)CC(O)C1	REAL300029040972	0	53	0.0	-49.61	382.58	1.93	-47.68
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCC3CCCC[N@H+]32)CC(O)C1	REAL300029040972	1	53	0.0	-47.52	383.80	2.04	-45.48
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029040980	0	56	0.0	-55.75	390.61	-0.10	-55.85
O=C(CCCC[NH+]1CCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029041000	0	55	0.0	-58.84	413.99	2.77	-56.07
C[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)CC1=CC=CC=C1	REAL300029041002	1	52	0.0	-73.77	398.01	3.17	-70.60
C[N@@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)CC1=CC=CC=C1	REAL300029041002	1	52	0.0	-73.13	398.19	3.19	-69.94
C[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029041017	0	49	0.0	-63.69	360.92	1.05	-62.64
C[NH+](C)CC1=CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)=NO1	REAL300029041074	1	48	0.0	-77.70	375.48	1.07	-76.63
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C=CC2=C[NH+]=CN21	REAL300029041076	0	47	0.0	-65.55	377.09	3.15	-62.40
C[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029041115	0	49	0.0	-76.15	353.52	0.91	-75.24
C[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029041115	1	49	0.0	-62.10	349.51	0.48	-61.62
CC(C)C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029041145	0	55	0.0	-69.97	400.28	2.21	-67.76
CC(C)C[N@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029041145	1	55	0.0	-54.20	394.63	2.82	-51.38
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC(O)C1	REAL300029041291	0	44	0.0	-75.68	343.43	2.59	-73.09
CC1=[NH+]C=CN1CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029041303	1	50	0.0	-55.12	395.23	2.48	-52.64
O=C(CCCC[NH+]1CCOCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029041307	1	56	0.0	-61.79	422.60	1.19	-60.60
C[NH+](C)CC1=CC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C=C1	REAL300029041313	0	52	0.0	-67.41	400.14	2.67	-64.74
O=C(CC[NH+]1CCOCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029041314	1	50	0.0	-56.96	379.54	-0.40	-57.36
CCC[NH+](CCC)CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029041337	0	60	0.0	-56.90	446.33	3.81	-53.09
CC1=C[NH+]=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029041357	1	44	0.0	-65.94	351.12	1.91	-64.03
O=C(CN1C=[NH+]C2=C1CCCC2)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029041366	1	51	0.0	-57.85	395.97	3.62	-54.23
C[NH+](C)CC1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CCCCC1	REAL300029041408	0	58	0.0	-85.08	381.59	1.96	-83.12
C[N@H+](CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)C1CCCCC1	REAL300029041414	0	58	0.0	-55.38	422.77	3.20	-52.18
C[N@@H+](CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)C1CCCCC1	REAL300029041414	1	58	0.0	-53.48	422.71	3.20	-50.28
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CCC[NH+]2CCC3)CC(O)C1	REAL300029041417	0	50	0.0	-50.54	357.10	0.68	-49.86
C[NH+](C)C1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029041456	0	55	0.0	-60.97	389.95	2.05	-58.92
C[N@@H+]1CCC(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029041460	0	49	0.0	-60.42	370.63	1.18	-59.24
C[N@H+]1CCC(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029041460	1	49	0.0	-73.26	368.19	1.23	-72.03
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029041473	0	48	0.0	-78.13	365.25	-0.34	-78.47
CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+](C)C	REAL300029041479	0	48	0.0	-47.79	354.10	0.58	-47.21
C[NH+](C)C1(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CCCC1	REAL300029041499	0	55	0.0	-54.98	388.20	2.04	-52.94
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC(O)C1	REAL300029041560	1	44	0.0	-81.21	343.69	2.60	-78.61
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)CC(O)C1	REAL300029041601	1	47	0.0	-84.81	376.11	1.51	-83.30
C[NH+](C)CCCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029041632	0	51	0.0	-60.50	389.69	1.72	-58.78
CC(C)C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+](C)C	REAL300029041653	0	51	0.0	-49.13	365.40	1.32	-47.81
CCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029041655	0	51	0.0	-72.77	383.08	1.60	-71.17
CCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029041655	1	51	0.0	-54.89	385.90	1.56	-53.33
CCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029041661	0	48	0.0	-69.30	360.57	1.00	-68.30
CCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029041661	1	48	0.0	-53.34	363.57	0.95	-52.39
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CC[N@H+](C2)CCC3)CC(O)C1	REAL300029041690	0	50	0.0	-61.86	350.91	0.31	-61.55
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CC[N@@H+](C2)CCC3)CC(O)C1	REAL300029041690	1	50	0.0	-52.61	343.82	0.44	-52.17
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029041748	0	46	0.0	-72.43	341.73	0.12	-72.31
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029041748	1	46	0.0	-51.24	347.02	0.38	-50.86
CC1CC2CCC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CC(O)C3)C[N@@H+]2C1	REAL300029041773	0	56	0.0	-58.19	405.71	2.76	-55.43
CC1CC2CCC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CC(O)C3)C[N@H+]2C1	REAL300029041773	1	56	0.0	-55.72	408.36	2.61	-53.11
CCCCCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029041818	0	57	0.0	-70.47	425.06	3.34	-67.13
CCCCCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029041818	1	57	0.0	-70.18	425.27	3.35	-66.83
CC[NH+](CC)C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)C(C)C	REAL300029041826	0	57	0.0	-53.66	390.71	1.56	-52.10
CC[NH+](CC)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029041835	0	48	0.0	-68.72	357.38	0.93	-67.79
CCC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029041868	0	55	0.0	-49.45	393.32	2.44	-47.01
CCC[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029041868	1	55	0.0	-58.29	395.40	2.63	-55.66
CC(C)[N@@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029041890	1	53	0.0	-69.64	382.39	0.89	-68.75
CC(C)[N@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029041890	1	53	0.0	-75.74	379.55	0.82	-74.92
CC1CC[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029041928	0	52	0.0	-51.87	386.78	2.01	-49.86
O=C(C1=CN(C2=CC=[NH+]C=C2)N=C1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029041956	1	47	0.0	-67.39	378.82	0.55	-66.84
C[NH+]1CCC(OCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029041965	0	53	0.0	-80.38	401.44	1.75	-78.63
C[NH+](C)CC1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029041981	0	49	0.0	-77.72	359.54	0.91	-76.81
CC1=[NH+]C=C2CCC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CC(O)C3)CN21	REAL300029041982	1	51	0.0	-59.40	387.69	2.21	-57.19
CC(C)[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029042078	0	55	0.0	-62.30	397.04	2.24	-60.06
C[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029042106	0	49	0.0	-63.69	360.92	1.05	-62.64
CC(C)[C@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+](C)C	REAL300029042127	0	51	0.0	-56.16	364.62	1.41	-54.75
CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+](CC)CC	REAL300029042162	0	54	0.0	-45.93	385.26	1.64	-44.29
CC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029042245	0	48	0.0	-72.22	361.48	0.83	-71.39
CC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029042245	1	48	0.0	-72.34	361.48	0.84	-71.50
CC1CCC[N@@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029042314	0	49	0.0	-65.37	360.23	0.98	-64.39
CC1CCC[N@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029042314	1	49	0.0	-66.35	360.27	0.98	-65.37
CC1CC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029042316	0	49	0.0	-67.72	366.87	1.27	-66.45
CC1CC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029042316	1	49	0.0	-68.60	366.75	1.33	-67.27
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029042317	0	55	0.0	-51.71	394.04	1.62	-50.09
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029042317	1	55	0.0	-43.90	393.44	1.35	-42.55
CC1=[NH+]C=C2CC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CC(O)C3)CCN21	REAL300029042319	1	51	0.0	-62.67	386.07	2.16	-60.51
CC1(C)CC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029042322	0	52	0.0	-50.15	388.04	1.73	-48.42
CC1(C)CC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029042322	1	52	0.0	-68.36	386.72	1.84	-66.52
C[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)CC(C)(C)C	REAL300029042323	0	54	0.0	-69.42	387.58	1.98	-67.44
C[N@@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)CC(C)(C)C	REAL300029042323	1	54	0.0	-52.72	394.68	2.09	-50.63
CC[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+](C)C	REAL300029042334	0	48	0.0	-54.97	350.10	0.45	-54.52
CC(COCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+]1CCCC1	REAL300029042342	0	56	0.0	-67.37	419.97	2.39	-64.98
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC(O)C1	REAL300029042427	0	56	0.0	-53.75	412.07	3.07	-50.68
C[NH+]1CCC(O)(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029042568	0	53	0.0	-56.56	393.99	-0.22	-56.78
COCC[N@@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029042575	0	56	0.0	-70.22	409.11	0.95	-69.27
COCC[N@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029042575	1	56	0.0	-71.93	411.72	0.72	-71.21
C[NH+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029042583	0	42	0.0	-70.10	321.34	-0.42	-70.52
O=C(C[NH+]1CCC(CO)CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029042588	0	53	0.0	-70.91	394.93	-1.24	-72.15
O=C(C[NH+]1CCCCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029042592	0	52	0.0	-50.87	375.38	1.60	-49.27
CN1C=C[N+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)=C1	REAL300029042597	0	44	0.0	-55.77	355.53	3.05	-52.72
C[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029042608	0	49	0.0	-54.94	364.01	0.86	-54.08
C[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029042608	1	49	0.0	-59.00	356.22	1.23	-57.77
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCC[N@@H+]2C2CC2)CC(O)C1	REAL300029042613	0	50	0.0	-53.15	371.47	1.28	-51.87
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCC[N@H+]2C2CC2)CC(O)C1	REAL300029042613	1	50	0.0	-70.95	370.18	1.42	-69.53
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+]1CCC1	REAL300029042648	1	46	0.0	-74.00	342.09	0.16	-73.84
CCC(CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)C[NH+](C)C	REAL300029042657	0	54	0.0	-74.00	396.15	2.24	-71.76
C[NH+](C)CC(C)(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029042665	0	51	0.0	-62.95	360.14	0.78	-62.17
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC(O)C1	REAL300029042685	0	51	0.0	-54.17	379.09	2.01	-52.16
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CC(O)C1	REAL300029042685	1	51	0.0	-42.65	371.09	1.43	-41.22
O=C(C[NH+]1CCC(O)CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029042705	1	50	0.0	-74.06	374.34	-1.89	-75.95
C[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)C1CC1	REAL300029042706	0	46	0.0	-50.98	353.58	0.94	-50.04
C[N@@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)C1CC1	REAL300029042706	1	46	0.0	-66.31	350.89	1.01	-65.30
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)N1CC[NH+](C)CC1	REAL300029042707	1	54	0.0	-64.00	393.02	-0.64	-64.64
C[NH+]1CC(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029042732	0	46	0.0	-74.06	352.88	0.45	-73.61
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC[N@@H+]2C2CCCC2)CC(O)C1	REAL300029042736	0	53	0.0	-69.11	382.36	1.94	-67.17
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC[N@H+]2C2CCCC2)CC(O)C1	REAL300029042736	1	53	0.0	-48.27	392.56	2.21	-46.06
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029042744	0	52	0.0	-52.14	362.42	0.54	-51.60
CC(C)(C)[N@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029042744	1	52	0.0	-66.17	376.66	1.10	-65.07
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+](C)C	REAL300029042757	0	45	0.0	-63.74	333.02	-0.16	-63.90
CCC1CCC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029042806	0	55	0.0	-51.57	398.20	2.59	-48.98
CCC1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029042806	1	55	0.0	-51.96	405.33	2.65	-49.31
C[NH+](C)CC1=CC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)N1	REAL300029042815	0	50	0.0	-87.81	380.52	1.63	-86.18
C[NH+]1C2CCC1CC(CC(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C1)C2	REAL300029042829	0	56	0.0	-73.18	400.22	2.58	-70.60
[NH2+]=C1SC=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029042873	0	42	0.0	-61.69	348.62	-0.22	-61.91
C[N@H+](CCO)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029042886	0	49	0.0	-53.93	374.75	-2.40	-56.33
C[N@@H+](CCO)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029042886	1	49	0.0	-56.72	374.66	-2.38	-59.10
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+](C)C	REAL300029042887	0	45	0.0	-63.74	333.02	-0.16	-63.90
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029042891	0	49	0.0	-48.43	351.77	0.57	-47.86
C[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029042891	1	49	0.0	-46.66	362.38	1.02	-45.64
CC1CN2CC[N@@H+]1CC2C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029042901	0	52	0.0	-63.80	373.91	-1.87	-65.67
CC1CN2CC[N@H+]1CC2C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029042901	1	52	0.0	-63.89	372.83	-1.73	-65.62
COC1C[N@@H+]2CCCC2(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029042945	0	54	0.0	-49.81	390.07	-0.39	-50.20
COC1C[N@H+]2CCCC2(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029042945	1	54	0.0	-53.96	387.74	-0.38	-54.34
O=C(CC1=CC2=C[NH+]=CN2C=C1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029042960	0	47	0.0	-62.31	378.70	3.76	-58.55
C[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)C1CCSC1	REAL300029042988	0	50	0.0	-54.74	383.78	1.77	-52.97
C[N@@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)C1CCSC1	REAL300029042988	1	50	0.0	-60.78	383.63	1.80	-58.98
O=C(C[NH+]1CCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029042989	1	43	0.0	-54.05	334.65	0.02	-54.03
C[NH+](C)CC1=CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)=CC=N1	REAL300029043026	1	51	0.0	-51.82	395.08	0.77	-51.05
C[N@@H+]1CCC(=CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029043028	0	47	0.0	-78.25	361.83	1.17	-77.08
C[N@H+]1CCC(=CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029043028	1	47	0.0	-78.69	359.80	1.13	-77.56
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2C[NH+](C3CCCCC3)C2)CC(O)C1	REAL300029043054	0	56	0.0	-50.79	414.86	2.82	-47.97
C[NH+](C)CCOCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029043070	0	49	0.0	-73.31	377.41	0.69	-72.62
CCCCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029043077	0	57	0.0	-56.35	428.95	3.10	-53.25
CCCCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029043077	1	57	0.0	-55.59	428.89	3.12	-52.47
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)O1	REAL300029043087	0	53	0.0	-60.67	399.89	1.38	-59.29
C=CCC(C)(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+](C)C	REAL300029043097	0	52	0.0	-67.82	349.52	0.84	-66.98
C[S+](C)CCC(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029043102	0	48	0.0	-65.61	384.42	-1.04	-66.65
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029043135	0	50	0.0	-55.87	355.52	-3.83	-59.70
CN1CC[N@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029043150	0	54	0.0	-65.44	386.45	-0.60	-66.04
CN1CC[N@@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029043150	1	54	0.0	-65.44	386.45	-0.60	-66.04
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[N@@H+]1CCCC(O)C1	REAL300029043151	0	53	0.0	-45.09	388.77	-1.49	-46.58
C[N@@H+]1CCCC(O)(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029043176	0	53	0.0	-71.99	377.25	-0.14	-72.13
C[N@H+]1CCCC(O)(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029043176	1	53	0.0	-71.99	377.25	-0.14	-72.13
CC1CN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029043180	0	46	0.0	-70.47	351.56	0.73	-69.74
CC1C[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029043180	1	46	0.0	-70.47	351.56	0.73	-69.74
CN(CCO)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029043210	0	46	0.0	-68.87	349.62	-2.98	-71.85
C[N@H+](CCO)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029043210	1	46	0.0	-70.88	349.40	-3.01	-73.89
C[N@@H+](CCO)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029043210	1	46	0.0	-70.88	349.40	-3.01	-73.89
C[NH+]1C2CCC1CC(=CC(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C1)C2	REAL300029043233	0	54	0.0	-74.63	394.75	2.43	-72.20
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2C[N@@H+]3CCN2CCC3)CC(O)C1	REAL300029043238	0	52	0.0	-87.21	362.10	-1.13	-88.34
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2C[N@H+]3CCN2CCC3)CC(O)C1	REAL300029043238	1	52	0.0	-87.21	362.10	-1.13	-88.34
CC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029043246	0	52	0.0	-58.08	373.75	1.86	-56.22
CC[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029043246	1	52	0.0	-58.08	373.75	1.86	-56.22
CC(CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)C[NH+](C)C	REAL300029043248	0	51	0.0	-59.75	381.45	1.57	-58.18
CC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029043264	0	45	0.0	-69.05	339.27	0.26	-68.79
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CCC[N@@H+]2CCCC3)CC(O)C1	REAL300029043292	0	53	0.0	-51.51	369.03	1.02	-50.49
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CCC[N@H+]2CCCC3)CC(O)C1	REAL300029043292	1	53	0.0	-51.51	369.03	1.02	-50.49
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CCC[N@@H+]2CC=CC3)CC(O)C1	REAL300029043301	0	51	0.0	-49.13	357.92	0.77	-48.36
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CCC[N@H+]2CC=CC3)CC(O)C1	REAL300029043301	1	51	0.0	-49.13	357.92	0.77	-48.36
CC[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)C1CC1	REAL300029043326	0	49	0.0	-50.39	370.26	1.56	-48.83
CC[NH+](CC)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029043351	0	51	0.0	-70.62	378.89	1.52	-69.10
CC1(C)CN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029043383	0	49	0.0	-70.07	371.76	1.15	-68.92
CC1(C)C[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029043383	1	49	0.0	-70.07	371.76	1.15	-68.92
O=C(CCCC[NH+]1CCCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029043389	0	58	0.0	-73.21	428.09	3.63	-69.58
CC1(O)CC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029043422	0	50	0.0	-68.34	377.93	-2.01	-70.35
C[NH+](C)CC=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029043434	0	46	0.0	-81.05	359.28	0.80	-80.25
CC(OCC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029043458	0	52	0.0	-65.74	390.36	1.08	-64.66
C[NH+](C)CCOCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029043469	0	52	0.0	-70.74	398.17	0.41	-70.33
COCCN(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029043470	0	49	0.0	-71.35	371.65	-0.60	-71.95
COCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029043470	1	49	0.0	-69.03	371.87	-0.57	-69.60
COCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029043470	1	49	0.0	-69.03	371.87	-0.57	-69.60
COCCCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029043498	0	58	0.0	-58.03	441.07	1.41	-56.62
COCCCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029043498	1	58	0.0	-58.03	441.07	1.41	-56.62
C[NH+](C)C1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CCCC1	REAL300029043523	0	52	0.0	-84.64	359.06	1.25	-83.39
CC(CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+](C)C	REAL300029043526	0	51	0.0	-58.94	381.77	1.34	-57.60
CCN1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029043536	0	46	0.0	-69.42	351.22	0.44	-68.98
CC[N@@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029043536	1	46	0.0	-69.96	347.80	0.40	-69.56
CC[N@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029043536	1	46	0.0	-69.96	347.80	0.40	-69.56
CC(C)[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029043547	0	55	0.0	-57.80	390.39	2.39	-55.41
CC(C)[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029043547	1	55	0.0	-57.80	390.39	2.39	-55.41
O=C(C[N@H+]1CCCC1CO)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029043561	0	50	0.0	-50.25	378.43	-1.97	-52.22
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC(O)C1	REAL300029043587	0	53	0.0	-48.05	391.67	2.17	-45.88
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC3CCCC[N@H+]3C2)CC(O)C1	REAL300029043587	1	53	0.0	-48.05	391.67	2.17	-45.88
C[NH+]1CCC(C)(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029043594	0	52	0.0	-43.14	366.06	0.82	-42.32
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)N1CCC(O)CC1	REAL300029043619	0	53	0.0	-58.90	390.38	-1.55	-60.45
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+]1CCC(O)CC1	REAL300029043619	1	53	0.0	-58.90	390.38	-1.55	-60.45
C=CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+](C)C	REAL300029043634	0	49	0.0	-51.94	360.03	0.72	-51.22
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029043652	0	52	0.0	-59.91	379.60	1.17	-58.74
C[NH+](C)CCCCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029043657	0	54	0.0	-74.53	408.20	2.53	-72.00
CC1C[N@@H+]2CCN1C(C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C1)C2	REAL300029043702	0	52	0.0	-81.41	369.81	-1.93	-83.34
CCCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+](C)C	REAL300029043703	0	51	0.0	-47.69	375.59	1.34	-46.35
C[NH+](C)C(C)(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029043708	0	48	0.0	-58.47	342.89	0.05	-58.42
C[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029043758	0	49	0.0	-62.10	349.51	0.48	-61.62
C[N@H+]1CC=C(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029043808	0	50	0.0	-67.94	380.59	1.95	-65.99
C[N@@H+]1CC=C(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029043808	1	50	0.0	-67.94	380.59	1.95	-65.99
O=C(CC1([NH+]2CCCC2)CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029043818	0	53	0.0	-50.31	388.04	2.30	-48.01
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029043874	0	58	0.0	-65.87	390.67	1.68	-64.19
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029043874	1	58	0.0	-65.87	390.67	1.68	-64.19
CN(C)CC1=CC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)O1	REAL300029043879	0	49	0.0	-84.24	383.25	1.46	-82.78
C[NH+](C)CC1=CC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)O1	REAL300029043879	1	49	0.0	-84.24	383.25	1.46	-82.78
O=C(C=CC[NH+]1CCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029043901	0	50	0.0	-77.57	382.12	1.80	-75.77
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC(O)C1	REAL300029043928	0	53	0.0	-62.15	387.56	2.25	-59.90
O=C(CC[NH+]1CCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029043953	0	49	0.0	-71.51	369.71	1.34	-70.17
C[N@@H+]1CC2CC1(C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C1)C2	REAL300029044009	0	47	0.0	-56.68	347.13	0.58	-56.10
O=C(C[N@@H+]1CC2CCC1C2)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044024	0	50	0.0	-52.14	367.28	1.42	-50.72
CC(C)[NH+]1CCC(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029044036	0	58	0.0	-71.02	415.26	2.94	-68.08
O=C(C=C1C[NH+]2CCC1CC2)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044086	0	51	0.0	-66.84	378.85	1.95	-64.89
O=C(CN1CC2C=CC1C2)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044098	0	48	0.0	-67.52	361.16	1.50	-66.02
O=C(C[N@@H+]1CC2C=CC1C2)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044098	1	48	0.0	-52.52	362.37	1.37	-51.15
O=C(C[N@H+]1CC2C=CC1C2)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044098	1	48	0.0	-52.52	362.37	1.37	-51.15
CC(C[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044161	0	48	0.0	-52.46	356.43	0.47	-51.99
C[N@@H+]1CCCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044257	0	52	0.0	-66.11	373.28	1.68	-64.43
C[N@H+]1CCCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044257	1	52	0.0	-66.11	373.28	1.68	-64.43
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CC(O)C3)C=CN2C=N1	REAL300029044279	0	47	0.0	-55.95	380.60	3.47	-52.48
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CC(O)C3)C=CN2C=[NH+]1	REAL300029044279	1	47	0.0	-55.95	380.60	3.47	-52.48
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)N1CC(C)C1	REAL300029044280	0	49	0.0	-51.78	365.59	0.80	-50.98
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+]1CC(C)C1	REAL300029044280	1	49	0.0	-51.78	365.59	0.80	-50.98
CC1CCN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044284	0	46	0.0	-69.47	352.92	0.63	-68.84
CC1CC[N@@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044284	1	46	0.0	-66.98	347.77	0.47	-66.51
CC1CC[N@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044284	1	46	0.0	-66.98	347.77	0.47	-66.51
C[NH+](C)CC(O)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044289	0	49	0.0	-59.92	377.02	-1.42	-61.34
CC1CN(C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)O1	REAL300029044325	0	50	0.0	-80.23	365.74	0.39	-79.84
CC1C[N@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)O1	REAL300029044325	1	50	0.0	-88.08	373.92	0.55	-87.53
CC1C[N@@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)O1	REAL300029044325	1	50	0.0	-88.08	373.92	0.55	-87.53
O=C(CC[NH+]1CCC(O)CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044337	0	53	0.0	-74.50	396.64	-1.28	-75.78
CCC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044340	0	55	0.0	-51.92	394.85	2.10	-49.82
CCC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044340	1	55	0.0	-51.92	394.85	2.10	-49.82
CC[NH+]1CCN(CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029044345	0	57	0.0	-72.13	420.15	0.30	-71.83
CCN1CC[NH+](CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029044345	1	57	0.0	-72.13	420.15	0.30	-71.83
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC(O)C1	REAL300029044348	0	56	0.0	-47.75	391.50	2.66	-45.09
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC(O)C1	REAL300029044348	1	56	0.0	-47.75	391.50	2.66	-45.09
CC(C)C[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029044393	0	58	0.0	-65.21	419.25	3.12	-62.09
C[NH+](C)C1CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029044418	0	57	0.0	-65.04	417.67	0.25	-64.79
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029044439	0	49	0.0	-61.10	372.28	1.21	-59.89
CC(CC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044447	0	51	0.0	-62.23	379.59	1.14	-61.09
C[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[C@@H]1CCC[C@H]1O	REAL300029044480	0	53	0.0	-51.37	394.58	-1.21	-52.58
C#CCN1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044489	0	51	0.0	-47.14	388.52	2.24	-44.90
C#CC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044489	1	51	0.0	-46.75	376.89	1.73	-45.02
C#CC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044489	1	51	0.0	-46.75	376.89	1.73	-45.02
CN1CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029044495	0	51	0.0	-62.54	383.36	-0.96	-63.50
C[NH+]1CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029044495	1	51	0.0	-62.54	383.36	-0.96	-63.50
NC(=[NH2+])SCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044535	0	40	0.0	-52.76	332.79	-3.50	-56.26
CC[N@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044581	1	53	0.0	-52.60	387.84	-0.08	-52.68
C[NH+](C)CCC1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CCCC1	REAL300029044600	0	58	0.0	-86.90	395.19	1.95	-84.95
CC1CCCC(C)[NH+]1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044602	0	58	0.0	-51.42	414.39	2.68	-48.74
C[NH+](C)C1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029044605	0	55	0.0	-69.58	396.72	2.22	-67.36
C[NH+](C)CCC1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029044606	0	52	0.0	-70.13	392.74	1.78	-68.35
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029044610	0	55	0.0	-48.96	388.00	1.90	-47.06
C[N@@H+]1CC=CCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044611	0	50	0.0	-57.81	367.55	1.61	-56.20
C[N@H+]1CC=CCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044611	1	50	0.0	-73.41	370.89	1.69	-71.72
C[C@@H](OCC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044640	0	52	0.0	-57.11	392.89	1.24	-55.87
C[NH+]1C2CCC1CC(C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C1)C2	REAL300029044674	0	53	0.0	-55.29	369.46	1.27	-54.02
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+]1CCSCC1	REAL300029044815	1	50	0.0	-57.35	377.03	1.52	-55.83
CCC1C[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029044817	1	49	0.0	-70.74	372.53	1.38	-69.36
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC(O)C1	REAL300029044819	0	54	0.0	-52.02	406.06	0.42	-51.60
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2([NH+]3CCCC3)CCC2)CC(O)C1	REAL300029044821	0	53	0.0	-69.75	368.98	1.50	-68.25
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044832	0	46	0.0	-65.34	343.18	0.37	-64.97
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044832	1	46	0.0	-61.71	340.75	0.14	-61.57
O=C(CC[N@@H+]1CCC(F)C1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044841	0	49	0.0	-76.33	375.73	1.37	-74.96
O=C(CC[N@H+]1CCC(F)C1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044841	1	49	0.0	-56.55	377.32	1.36	-55.19
COC1C[N@H+](C)C(C)(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029044850	0	53	0.0	-57.05	382.57	-1.08	-58.13
COC1C[N@@H+](C)C(C)(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029044850	1	53	0.0	-38.08	376.22	-0.07	-38.15
O=C(CC[NH+]1CCCCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044863	0	55	0.0	-56.18	398.31	2.22	-53.96
O=C(C[NH+]1CCCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044865	0	49	0.0	-51.65	366.07	1.40	-50.25
CC1C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC[N@@H+]1C	REAL300029044875	0	49	0.0	-49.50	359.98	0.83	-48.67
CC1C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC[N@H+]1C	REAL300029044875	1	49	0.0	-57.28	364.82	0.82	-56.46
C[N@@H+]1CCCCC1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044877	0	55	0.0	-68.46	403.12	2.55	-65.91
C[N@H+]1CCCCC1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044877	1	55	0.0	-72.31	393.82	2.33	-69.98
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC[N@@H+]3CCOCC23)CC(O)C1	REAL300029044911	0	51	0.0	-51.83	377.87	-0.39	-52.22
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC[N@H+]3CCOCC23)CC(O)C1	REAL300029044911	1	51	0.0	-58.60	380.25	-0.31	-58.91
CC1=[NH+]C=C2C=CC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CC(O)C3)=CN21	REAL300029044919	0	47	0.0	-58.77	379.97	2.66	-56.11
C[N@@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044938	1	50	0.0	-59.36	364.69	-0.70	-60.06
C[N@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044938	1	50	0.0	-56.78	373.64	-0.64	-57.42
CC1=C(C)[NH+]=C(CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)N1	REAL300029044948	1	50	0.0	-65.79	391.63	0.91	-64.88
CC(C)C[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029044963	0	58	0.0	-57.85	408.86	3.32	-54.53
CC(C)C[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029044963	1	58	0.0	-52.14	413.23	3.08	-49.06
C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029045130	0	46	0.0	-72.46	339.18	0.12	-72.34
C[N@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029045130	1	46	0.0	-61.73	341.14	0.11	-61.62
C[N@@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029045156	1	47	0.0	-48.87	354.40	-0.35	-49.22
C[N@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029045156	1	47	0.0	-45.90	343.21	-0.39	-46.29
CC1=[NH+]C=CN1CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029045325	1	50	0.0	-55.12	395.23	2.48	-52.64
O=C(CCCC[NH+]1CCOCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029045329	1	56	0.0	-61.79	422.60	1.19	-60.60
C[NH+](C)CC1=CC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C=C1	REAL300029045335	0	52	0.0	-67.41	400.14	2.67	-64.74
O=C(CC[NH+]1CCOCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029045336	1	50	0.0	-56.96	379.54	-0.40	-57.36
CCC[NH+](CCC)CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029045359	0	60	0.0	-56.90	446.33	3.81	-53.09
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CCC[NH+]2CCC3)CC(O)C1	REAL300029045375	0	50	0.0	-50.54	357.10	0.68	-49.86
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC(O)C1	REAL300029045393	1	44	0.0	-81.21	343.69	2.60	-78.61
C[NH+](C)C1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029045465	0	55	0.0	-60.97	389.95	2.05	-58.92
C[N@@H+]1CCC(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029045469	0	49	0.0	-60.42	370.63	1.18	-59.24
C[N@H+]1CCC(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029045469	1	49	0.0	-73.26	368.19	1.23	-72.03
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029045482	0	48	0.0	-78.13	365.25	-0.34	-78.47
CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+](C)C	REAL300029045488	0	48	0.0	-47.79	354.10	0.58	-47.21
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)CC(O)C1	REAL300029045497	1	47	0.0	-84.81	376.11	1.51	-83.30
CC1CC2CCC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CC(O)C3)C[N@@H+]2C1	REAL300029045544	0	56	0.0	-58.19	405.71	2.76	-55.43
CC1CC2CCC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CC(O)C3)C[N@H+]2C1	REAL300029045544	1	56	0.0	-55.72	408.36	2.61	-53.11
C[NH+](C)CCCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029045574	0	51	0.0	-60.50	389.69	1.72	-58.78
CC(C)C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+](C)C	REAL300029045597	0	51	0.0	-49.13	365.40	1.32	-47.81
CCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029045599	0	51	0.0	-72.77	383.08	1.60	-71.17
CCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029045599	1	51	0.0	-54.89	385.90	1.56	-53.33
CCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029045605	0	48	0.0	-69.30	360.57	1.00	-68.30
CCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029045605	1	48	0.0	-53.34	363.57	0.95	-52.39
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CC[N@H+](C2)CCC3)CC(O)C1	REAL300029045634	0	50	0.0	-61.86	350.91	0.31	-61.55
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CC[N@@H+](C2)CCC3)CC(O)C1	REAL300029045634	1	50	0.0	-52.61	343.82	0.44	-52.17
CCCCCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029045678	0	57	0.0	-70.47	425.06	3.34	-67.13
CCCCCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029045678	1	57	0.0	-70.18	425.27	3.35	-66.83
CC[NH+](CC)C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)C(C)C	REAL300029045686	0	57	0.0	-53.66	390.71	1.56	-52.10
CC1CC[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029045725	0	52	0.0	-51.87	386.78	2.01	-49.86
O=C(C1=CN(C2=CC=[NH+]C=C2)N=C1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029045753	1	47	0.0	-67.39	378.82	0.55	-66.84
C[NH+]1CCC(OCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029045762	0	53	0.0	-80.38	401.44	1.75	-78.63
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC(O)C1	REAL300029045828	0	53	0.0	-49.76	383.43	1.85	-47.91
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC3CCCC[N@H+]3C2)CC(O)C1	REAL300029045828	1	53	0.0	-48.05	391.67	2.17	-45.88
C[NH+](C)CC1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029045841	0	49	0.0	-77.72	359.54	0.91	-76.81
CC1=[NH+]C=C2CCC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CC(O)C3)CN21	REAL300029045842	1	51	0.0	-59.40	387.69	2.21	-57.19
CC(C)[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029045854	0	55	0.0	-62.30	397.04	2.24	-60.06
CC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029045887	0	48	0.0	-72.22	361.48	0.83	-71.39
CC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029045887	1	48	0.0	-72.34	361.48	0.84	-71.50
CC(C)(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+]1CCCCC1	REAL300029045918	0	55	0.0	-55.22	376.26	1.77	-53.45
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2C[NH+]3CCC2CC3)CC(O)C1	REAL300029045936	0	50	0.0	-82.61	356.75	1.10	-81.51
C[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029046027	0	49	0.0	-63.69	360.92	1.05	-62.64
CC(C)[C@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+](C)C	REAL300029046048	0	51	0.0	-56.16	364.62	1.41	-54.75
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC(O)C1	REAL300029046133	0	56	0.0	-53.75	412.07	3.07	-50.68
CC[NH+](CC)CC(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029046178	0	51	0.0	-57.14	380.18	1.30	-55.84
C[NH+](C)CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)SC=C1	REAL300029046179	0	49	0.0	-71.66	388.60	2.07	-69.59
CC(C)C[N@@H+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029046221	0	55	0.0	-60.60	403.07	2.35	-58.25
CC(C)C[N@H+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029046221	1	55	0.0	-61.66	399.52	2.32	-59.34
C[NH+](C)C1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CCC1	REAL300029046225	0	49	0.0	-78.96	351.35	0.70	-78.26
CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+](CC)CC	REAL300029046260	0	54	0.0	-45.93	385.26	1.64	-44.29
CC1CCC[N@@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029046288	0	49	0.0	-65.37	360.23	0.98	-64.39
CC1CCC[N@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029046288	1	49	0.0	-66.35	360.27	0.98	-65.37
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029046372	1	53	0.0	-56.26	406.57	2.82	-53.44
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+]1CCCCCC1	REAL300029046379	0	55	0.0	-51.47	386.87	1.83	-49.64
CC(C)[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029046381	0	55	0.0	-46.05	386.66	1.70	-44.35
CC(C)[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029046381	1	55	0.0	-47.03	394.64	1.99	-45.04
CC(C)[N@@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029046411	0	52	0.0	-65.30	374.64	1.48	-63.82
CC(C)[N@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029046411	1	52	0.0	-53.94	378.16	1.53	-52.41
C[NH+](C)C(CN1C=CC=N1)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029046417	1	52	0.0	-81.70	386.54	1.41	-80.29
CC(C)[N@@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029046422	0	55	0.0	-67.96	393.28	1.94	-66.02
CC(C)[N@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029046422	1	55	0.0	-66.73	390.77	1.72	-65.01
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCC[N@@H+]2C2CCCC2)CC(O)C1	REAL300029046423	0	56	0.0	-56.04	398.91	2.90	-53.14
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCC[N@H+]2C2CCCC2)CC(O)C1	REAL300029046423	1	56	0.0	-50.27	407.11	2.85	-47.42
CC(C)[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+](C)C	REAL300029046444	0	51	0.0	-64.70	364.60	1.37	-63.33
CC1CC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029046473	0	49	0.0	-67.72	366.87	1.27	-66.45
CC1CC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029046473	1	49	0.0	-68.60	366.75	1.33	-67.27
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029046474	0	55	0.0	-51.71	394.04	1.62	-50.09
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029046474	1	55	0.0	-43.90	393.44	1.35	-42.55
CC1=[NH+]C=C2CC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CC(O)C3)CCN21	REAL300029046476	1	51	0.0	-62.67	386.07	2.16	-60.51
CC1(C)CC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029046479	0	52	0.0	-50.15	388.04	1.73	-48.42
CC1(C)CC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029046479	1	52	0.0	-68.36	386.72	1.84	-66.52
C[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)CC(C)(C)C	REAL300029046480	0	54	0.0	-69.42	387.58	1.98	-67.44
C[N@@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)CC(C)(C)C	REAL300029046480	1	54	0.0	-52.72	394.68	2.09	-50.63
CC[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+](C)C	REAL300029046491	0	48	0.0	-54.97	350.10	0.45	-54.52
CC(COCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+]1CCCC1	REAL300029046499	0	56	0.0	-67.37	419.97	2.39	-64.98
CN(CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)C1=CC=[NH+]C=C1	REAL300029046652	0	51	0.0	-64.62	396.02	1.29	-63.33
CC1=[NH+]C=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029046767	1	44	0.0	-67.54	349.94	1.17	-66.37
CC(C[NH+]1CCOCC1)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029046769	0	53	0.0	-63.80	391.20	0.15	-63.65
O=C(CCC[NH+]1CCCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029046791	0	55	0.0	-56.80	409.78	2.82	-53.98
C[NH+](C)CC1=CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)=NO1	REAL300029046812	1	48	0.0	-77.70	375.48	1.07	-76.63
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C=CC2=C[NH+]=CN21	REAL300029046814	0	47	0.0	-65.55	377.09	3.15	-62.40
CC(C)C1=[NH+]C=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029046859	1	50	0.0	-51.70	389.99	2.27	-49.43
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCCC3CCC[N@@H+]32)CC(O)C1	REAL300029046909	0	53	0.0	-53.16	382.64	2.23	-50.93
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCCC3CCC[N@H+]32)CC(O)C1	REAL300029046909	1	53	0.0	-46.67	375.98	1.57	-45.10
CC[N@@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029046942	1	50	0.0	-45.77	367.05	0.13	-45.64
CC[N@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029046942	1	50	0.0	-51.16	368.28	0.22	-50.94
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC(O)C1	REAL300029047011	0	44	0.0	-75.68	343.43	2.59	-73.09
CC1=C[NH+]=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029047016	1	44	0.0	-65.94	351.12	1.91	-64.03
C[NH+](C)CCN1C=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C=N1	REAL300029047020	0	52	0.0	-71.96	404.20	0.66	-71.30
C[NH+](C)CCN1C=CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)=N1	REAL300029047034	0	52	0.0	-92.42	404.17	1.35	-91.07
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC[N@@H+]1C	REAL300029047040	0	49	0.0	-67.67	356.55	0.64	-67.03
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC[N@H+]1C	REAL300029047040	1	49	0.0	-67.51	361.04	0.95	-66.56
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029047043	1	53	0.0	-51.04	410.31	2.82	-48.22
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC[N@@H+]1C	REAL300029047046	0	52	0.0	-59.80	376.81	1.06	-58.74
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC[N@H+]1C	REAL300029047046	1	52	0.0	-64.94	385.32	1.84	-63.10
CC1CCC(C)[NH+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029047066	0	52	0.0	-65.76	376.84	1.45	-64.31
O=C(CCC[NH+]1CCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029047073	0	52	0.0	-71.40	389.79	2.06	-69.34
C[NH+](C)CC1=CC=CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)=C1	REAL300029047074	0	52	0.0	-71.57	394.99	2.66	-68.91
C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029047082	0	51	0.0	-67.93	387.39	2.20	-65.73
O=C(CC[NH+]1CCCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029047083	0	52	0.0	-71.22	385.38	2.06	-69.16
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029047088	0	52	0.0	-49.64	396.04	2.87	-46.77
CC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029047097	0	52	0.0	-59.65	375.75	1.69	-57.96
CC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029047097	1	52	0.0	-63.49	371.25	1.53	-61.96
CC(C)C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+]1CCCCC1	REAL300029047098	0	58	0.0	-54.65	400.76	2.42	-52.23
C[NH+](C)C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)C1=CC=CC=C1	REAL300029047101	1	52	0.0	-59.28	391.87	2.79	-56.49
O=C(CN1C=[NH+]C2=C1CCCC2)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029047107	1	51	0.0	-57.85	395.97	3.62	-54.23
C[NH+](C)CC1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CCCCC1	REAL300029047150	0	58	0.0	-85.08	381.59	1.96	-83.12
C[N@H+](CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)C1CCCCC1	REAL300029047156	0	58	0.0	-55.38	422.77	3.20	-52.18
C[N@@H+](CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)C1CCCCC1	REAL300029047156	1	58	0.0	-53.48	422.71	3.20	-50.28
C[NH+](C)C1(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CCCC1	REAL300029047158	0	55	0.0	-54.98	388.20	2.04	-52.94
C[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)C1CCC1	REAL300029047381	0	49	0.0	-51.06	370.56	1.52	-49.54
C[N@@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)C1CCC1	REAL300029047381	1	49	0.0	-66.56	367.48	1.54	-65.02
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+]1C(C)CCC1C	REAL300029047412	0	55	0.0	-47.96	375.17	1.01	-46.95
O=C(CCCC[NH+]1CCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029047429	0	55	0.0	-58.84	413.99	2.77	-56.07
C[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)CC1=CC=CC=C1	REAL300029047431	1	52	0.0	-73.77	398.01	3.17	-70.60
C[N@@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)CC1=CC=CC=C1	REAL300029047431	1	52	0.0	-73.13	398.19	3.19	-69.94
C[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029047446	0	49	0.0	-63.69	360.92	1.05	-62.64
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029047511	0	46	0.0	-72.43	341.73	0.12	-72.31
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029047511	1	46	0.0	-51.24	347.02	0.38	-50.86
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029047535	1	48	0.0	-61.72	367.60	1.35	-60.37
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029047535	1	48	0.0	-62.72	371.19	1.53	-61.19
C[N@@H+]1CCCC1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029047544	0	52	0.0	-58.31	391.85	2.10	-56.21
C[N@H+]1CCCC1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029047544	1	52	0.0	-58.17	385.02	1.58	-56.59
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC(O)C1	REAL300029047556	0	53	0.0	-58.76	367.66	1.03	-57.73
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCC3CCCC[N@@H+]32)CC(O)C1	REAL300029047564	0	53	0.0	-49.61	382.58	1.93	-47.68
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCC3CCCC[N@H+]32)CC(O)C1	REAL300029047564	1	53	0.0	-47.52	383.80	2.04	-45.48
CCC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029047656	0	55	0.0	-49.45	393.32	2.44	-47.01
CCC[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029047656	1	55	0.0	-58.29	395.40	2.63	-55.66
CC(C)[N@@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029047678	1	53	0.0	-69.64	382.39	0.89	-68.75
CC(C)[N@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029047678	1	53	0.0	-75.74	379.55	0.82	-74.92
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029047697	0	56	0.0	-55.75	390.61	-0.10	-55.85
C[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029047717	0	49	0.0	-76.15	353.52	0.91	-75.24
C[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029047717	1	49	0.0	-62.10	349.51	0.48	-61.62
CC(C)C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029047748	0	55	0.0	-69.97	400.28	2.21	-67.76
CC(C)C[N@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029047748	1	55	0.0	-54.20	394.63	2.82	-51.38
O=C(C[NH+]1CCC(CO)CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029047769	0	53	0.0	-70.91	394.93	-1.24	-72.15
C[NH+]1C2CCC1CC(=CC(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C1)C2	REAL300029047806	0	54	0.0	-74.63	394.75	2.43	-72.20
CC1C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC[N@@H+]1C	REAL300029047825	0	49	0.0	-49.50	359.98	0.83	-48.67
CC1C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC[N@H+]1C	REAL300029047825	1	49	0.0	-57.28	364.82	0.82	-56.46
C[N@@H+]1CCCCC1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029047828	0	55	0.0	-68.46	403.12	2.55	-65.91
C[N@H+]1CCCCC1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029047828	1	55	0.0	-72.31	393.82	2.33	-69.98
NC1=[NH+]C2=C(C=C1C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C1)CCC2	REAL300029047866	1	49	0.0	-46.92	381.11	0.28	-46.64
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029047948	0	52	0.0	-52.14	362.42	0.54	-51.60
CC(C)(C)[N@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029047948	1	52	0.0	-66.17	376.66	1.10	-65.07
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+](C)C	REAL300029047972	0	45	0.0	-63.74	333.02	-0.16	-63.90
C[NH+](C)CC1=CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)=CC=N1	REAL300029047992	1	51	0.0	-51.82	395.08	0.77	-51.05
C=CCC(C)(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+](C)C	REAL300029047998	0	52	0.0	-67.82	349.52	0.84	-66.98
NC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C=[NH+]C2=CC=CC=C21	REAL300029048029	1	48	0.0	-51.71	378.57	-0.32	-52.03
O=C(CC[NH+]1CCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029048033	0	49	0.0	-71.51	369.71	1.34	-70.17
C[N@H+](CCO)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029048043	1	46	0.0	-68.87	349.62	-2.98	-71.85
C[N@@H+](CCO)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029048043	1	46	0.0	-70.88	349.40	-3.01	-73.89
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2C[N@@H+]3CCN2CCC3)CC(O)C1	REAL300029048088	0	52	0.0	-84.43	366.36	-1.25	-85.68
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2C[N@H+]3CCN2CCC3)CC(O)C1	REAL300029048088	1	52	0.0	-87.21	362.10	-1.13	-88.34
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+]1CCSCC1	REAL300029048119	1	50	0.0	-57.35	377.03	1.52	-55.83
C[N@H+]1CC=C(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029048167	0	50	0.0	-61.87	383.42	1.91	-59.96
C[N@@H+]1CC=C(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029048167	1	50	0.0	-67.94	380.59	1.95	-65.99
C[S+](C)CCC(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029048184	0	48	0.0	-65.61	384.42	-1.04	-66.65
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029048208	0	50	0.0	-55.67	353.78	-2.83	-58.50
C[N@H+]1CC(O)CC1(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029048208	1	50	0.0	-55.87	355.52	-3.83	-59.70
CN1CC[N@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029048224	0	54	0.0	-59.34	387.75	-0.42	-59.76
CN1CC[N@@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029048224	1	54	0.0	-65.44	386.45	-0.60	-66.04
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[N@@H+]1CCCC(O)C1	REAL300029048225	0	53	0.0	-46.10	388.70	-1.50	-47.60
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[N@H+]1CCCC(O)C1	REAL300029048225	1	53	0.0	-45.09	388.77	-1.49	-46.58
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029048259	0	49	0.0	-56.14	379.40	0.08	-56.06
C[N@@H+]1CCCC(O)(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029048266	0	53	0.0	-54.83	391.84	0.00	-54.83
C[N@H+]1CCCC(O)(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029048266	1	53	0.0	-71.99	377.25	-0.14	-72.13
CC1C[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029048273	1	46	0.0	-70.47	351.56	0.73	-69.74
CC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029048281	0	52	0.0	-51.80	380.47	1.47	-50.33
CC[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029048281	1	52	0.0	-58.08	373.75	1.86	-56.22
NC1=[NH+]C=CC=C1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029048291	0	45	0.0	-53.13	358.51	-0.62	-53.75
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCC[N@@H+]2C2CC2)CC(O)C1	REAL300029048306	0	50	0.0	-53.15	371.47	1.28	-51.87
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCC[N@H+]2C2CC2)CC(O)C1	REAL300029048306	1	50	0.0	-70.95	370.18	1.42	-69.53
O=C(C=CC[NH+]1CCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029048359	0	50	0.0	-77.57	382.12	1.80	-75.77
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC(O)C1	REAL300029048388	0	53	0.0	-62.15	387.56	2.25	-59.90
CC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029048441	0	45	0.0	-69.05	339.27	0.26	-68.79
O=C(CN1CC2C=CC1C2)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029048508	0	48	0.0	-67.52	361.16	1.50	-66.02
O=C(C[N@@H+]1CC2C=CC1C2)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029048508	1	48	0.0	-52.52	362.37	1.37	-51.15
O=C(C[N@H+]1CC2C=CC1C2)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029048508	1	48	0.0	-52.52	362.37	1.37	-51.15
CC1=CC=C(NCCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)N=C1	REAL300029048533	0	51	0.0	-67.94	400.35	1.04	-66.90
CC1=CC=C(NCCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)[NH+]=C1	REAL300029048533	1	51	0.0	-67.94	400.35	1.04	-66.90
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CCC[N@@H+]2CCCC3)CC(O)C1	REAL300029048666	0	53	0.0	-51.51	369.03	1.02	-50.49
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CCC[N@H+]2CCCC3)CC(O)C1	REAL300029048666	1	53	0.0	-51.51	369.03	1.02	-50.49
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CCC[N@@H+]2CC=CC3)CC(O)C1	REAL300029048677	0	51	0.0	-49.13	357.92	0.77	-48.36
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CCC[N@H+]2CC=CC3)CC(O)C1	REAL300029048677	1	51	0.0	-49.13	357.92	0.77	-48.36
CC(OCC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029048689	0	52	0.0	-65.74	390.36	1.08	-64.66
C[NH+](C)CCOCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029048701	0	52	0.0	-70.74	398.17	0.41	-70.33
COCCN(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029048703	0	49	0.0	-71.35	371.65	-0.60	-71.95
COCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029048703	1	49	0.0	-69.03	371.87	-0.57	-69.60
COCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029048703	1	49	0.0	-69.03	371.87	-0.57	-69.60
CC(CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+](C)C	REAL300029048710	0	51	0.0	-58.94	381.77	1.34	-57.60
CC[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)C1CC1	REAL300029048746	0	49	0.0	-50.39	370.26	1.56	-48.83
CC1C[N@@H+]2CCN1C(C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C1)C2	REAL300029048766	0	52	0.0	-81.41	369.81	-1.93	-83.34
C[N@@H+]1CC2CC1(C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C1)C2	REAL300029048801	0	47	0.0	-56.68	347.13	0.58	-56.10
CC1=NC(N)=CC=C1C=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029048811	0	49	0.0	-77.20	386.71	0.19	-77.01
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029048811	1	49	0.0	-77.20	386.71	0.19	-77.01
O=C(C[N@@H+]1CC2CCC1C2)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029048820	0	50	0.0	-52.14	367.28	1.42	-50.72
CC(C)[NH+]1CCC(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029048836	0	58	0.0	-71.02	415.26	2.94	-68.08
CC(C[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029048850	0	48	0.0	-52.46	356.43	0.47	-51.99
C[NH+](C)C1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029048870	0	46	0.0	-79.18	336.49	0.26	-78.92
C[C@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+](C)C	REAL300029048900	0	45	0.0	-54.82	335.61	-0.10	-54.92
CC[N@@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029048911	1	46	0.0	-69.42	351.22	0.44	-68.98
CC[N@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029048911	1	46	0.0	-69.96	347.80	0.40	-69.56
CC(C)[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029048925	0	55	0.0	-56.18	386.59	2.38	-53.80
CC(C)[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029048925	1	55	0.0	-57.80	390.39	2.39	-55.41
CCC(C)(C)[NH2+]C(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029048947	0	54	0.0	-53.16	386.58	-0.13	-53.29
C#CC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029049001	1	51	0.0	-47.14	388.52	2.24	-44.90
C#CC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029049001	1	51	0.0	-46.75	376.89	1.73	-45.02
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029049005	1	48	0.0	-48.91	377.08	0.17	-48.74
NC1=CC=[NH+]C=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029049006	0	42	0.0	-72.51	333.70	-2.44	-74.95
CCCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+](C)C	REAL300029049018	0	51	0.0	-47.69	375.59	1.34	-46.35
C[NH+](C)C(C)(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029049026	0	48	0.0	-58.47	342.89	0.05	-58.42
CC(CC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029049052	0	51	0.0	-62.23	379.59	1.14	-61.09
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC(O)C1	REAL300029049112	0	56	0.0	-56.18	386.21	1.95	-54.23
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC(O)C1	REAL300029049112	1	56	0.0	-47.75	391.50	2.66	-45.09
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC(O)C1	REAL300029049149	0	51	0.0	-54.17	379.09	2.01	-52.16
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CC(O)C1	REAL300029049149	1	51	0.0	-42.65	371.09	1.43	-41.22
COCCCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029049194	0	58	0.0	-58.74	441.12	1.39	-57.35
COCCCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029049194	1	58	0.0	-58.03	441.07	1.41	-56.62
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029049206	0	52	0.0	-47.70	382.56	1.22	-46.48
C[N@H+]1CC(C)(C)CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029049206	1	52	0.0	-59.91	379.60	1.17	-58.74
C[NH+](C)CCCCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029049212	0	54	0.0	-74.53	408.20	2.53	-72.00
O=C(CC[NH+]1CCC(O)CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029049217	0	53	0.0	-74.50	396.64	-1.28	-75.78
CCC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029049223	0	55	0.0	-53.93	400.24	2.32	-51.61
CCC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029049223	1	55	0.0	-51.92	394.85	2.10	-49.82
CC[NH+]1CCN(CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029049233	0	57	0.0	-75.70	419.96	0.28	-75.42
CCN1CC[NH+](CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029049233	1	57	0.0	-72.13	420.15	0.30	-71.83
C[NH+]1CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029049237	1	51	0.0	-62.54	383.36	-0.96	-63.50
CC(C)C[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029049371	0	58	0.0	-65.21	419.25	3.12	-62.09
CC1C[N@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)O1	REAL300029049374	1	50	0.0	-80.23	365.74	0.39	-79.84
CC1C[N@@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)O1	REAL300029049374	1	50	0.0	-88.08	373.92	0.55	-87.53
CCC1CCC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029049410	0	55	0.0	-51.57	398.20	2.59	-48.98
CCC1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029049410	1	55	0.0	-51.96	405.33	2.65	-49.31
C[NH+](C)CC1=CC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)N1	REAL300029049421	0	50	0.0	-87.81	380.52	1.63	-86.18
O=C(C[NH+]1CC2CC2C1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029049444	0	47	0.0	-69.68	356.81	1.46	-68.22
O=C(CC1([NH+]2CCCC2)CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029049463	0	53	0.0	-50.31	388.04	2.30	-48.01
CC([NH2+]C1(CO)CCCC1)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029049481	0	56	0.0	-60.00	395.14	-2.75	-62.75
C[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029049514	0	49	0.0	-76.15	353.52	0.91	-75.24
C[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029049514	1	49	0.0	-62.10	349.51	0.48	-61.62
CC(C)C[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029049527	0	58	0.0	-57.85	408.86	3.32	-54.53
CC(C)C[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029049527	1	58	0.0	-52.14	413.23	3.08	-49.06
C[NH+](C)C1CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029049593	0	57	0.0	-65.04	417.67	0.25	-64.79
C[N@@H+]1CCC(=CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029049667	0	47	0.0	-78.25	361.83	1.17	-77.08
C[N@H+]1CCC(=CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029049667	1	47	0.0	-78.69	359.80	1.13	-77.56
O=C(CNC1=CC=[NH+]C=C1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029049673	0	45	0.0	-55.84	360.03	-1.18	-57.02
CC[NH+]1CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029049743	0	54	0.0	-60.84	400.59	-0.32	-61.16
O=C(C=C1C[NH+]2CCC1CC2)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029049746	0	51	0.0	-66.84	378.85	1.95	-64.89
C[NH+](C)C1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CCCC1	REAL300029049798	0	52	0.0	-84.64	359.06	1.25	-83.39
C[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[C@@H]1CCC[C@H]1O	REAL300029049815	0	53	0.0	-52.06	394.96	-1.06	-53.12
C[N@@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[C@@H]1CCC[C@H]1O	REAL300029049815	1	53	0.0	-51.37	394.58	-1.21	-52.58
CCC1C[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029049823	1	49	0.0	-70.74	372.53	1.38	-69.36
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC(O)C1	REAL300029049827	0	54	0.0	-52.02	406.06	0.42	-51.60
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2([NH+]3CCCC3)CCC2)CC(O)C1	REAL300029049829	0	53	0.0	-69.75	368.98	1.50	-68.25
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029049845	0	46	0.0	-65.34	343.18	0.37	-64.97
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029049845	1	46	0.0	-61.71	340.75	0.14	-61.57
CC[N@@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029049885	0	53	0.0	-52.60	387.84	-0.08	-52.68
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2C[NH+](C3CCCCC3)C2)CC(O)C1	REAL300029049913	0	56	0.0	-50.79	414.86	2.82	-47.97
COC1C[N@@H+]2CCCC2(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029049930	0	54	0.0	-53.96	387.74	-0.38	-54.34
COC1C[N@H+]2CCCC2(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029049930	1	54	0.0	-53.96	387.74	-0.38	-54.34
NC1=NC2=CC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CC(O)C3)=CC=C2N1	REAL300029050002	0	46	0.0	-75.62	359.16	0.44	-75.18
NC1=[NH+]C2=CC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CC(O)C3)=CC=C2N1	REAL300029050002	1	46	0.0	-75.62	359.16	0.44	-75.18
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029050051	0	49	0.0	-61.10	372.28	1.21	-59.89
C[NH+](C)CCC1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CCCC1	REAL300029050064	0	58	0.0	-86.90	395.19	1.95	-84.95
CC1CCCC(C)[NH+]1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029050066	0	58	0.0	-51.42	414.39	2.68	-48.74
C[NH+](C)C1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029050069	0	55	0.0	-69.58	396.72	2.22	-67.36
C[NH+](C)CCC1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029050070	0	52	0.0	-70.13	392.74	1.78	-68.35
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029050075	0	55	0.0	-48.96	388.00	1.90	-47.06
C[N@@H+]1CC=CCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029050076	0	50	0.0	-57.81	367.55	1.61	-56.20
C[N@H+]1CC=CCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029050076	1	50	0.0	-73.41	370.89	1.69	-71.72
CC1=CC(C=CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)=C[NH+]=C1N	REAL300029050139	1	49	0.0	-78.98	389.01	0.56	-78.42
C[NH+](C)CCOCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029050154	0	49	0.0	-73.31	377.41	0.69	-72.62
CCCCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029050161	0	57	0.0	-56.35	428.95	3.10	-53.25
CCCCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029050161	1	57	0.0	-55.59	428.89	3.12	-52.47
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)O1	REAL300029050175	0	53	0.0	-60.67	399.89	1.38	-59.29
[NH2+]=C1SC=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029050206	0	42	0.0	-61.69	348.62	-0.22	-61.91
C[C@@H](OCC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029050300	0	52	0.0	-57.11	392.89	1.24	-55.87
O=C(CC[NH+]1CCCCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029050369	0	55	0.0	-56.18	398.31	2.22	-53.96
O=C(C[NH+]1CCCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029050373	0	49	0.0	-51.65	366.07	1.40	-50.25
C[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029050375	0	49	0.0	-54.94	364.01	0.86	-54.08
C[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029050375	1	49	0.0	-59.00	356.22	1.23	-57.77
O=C(C[NH+]1CCC(CO)CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029050377	0	53	0.0	-70.91	394.93	-1.24	-72.15
O=C(C[NH+]1CCCCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029050383	0	52	0.0	-50.87	375.38	1.60	-49.27
CN1C=C[N+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)=C1	REAL300029050390	0	44	0.0	-55.77	355.53	3.05	-52.72
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029050409	0	58	0.0	-60.91	402.09	2.02	-58.89
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029050409	1	58	0.0	-65.87	390.67	1.68	-64.19
C[NH+](C)CC1=CC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)O1	REAL300029050415	1	49	0.0	-84.24	383.25	1.46	-82.78
C[NH+](C)CC1=CC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C=N1	REAL300029050423	0	51	0.0	-64.52	395.01	1.15	-63.37
O=C(C[NH+]1CCC(O)CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029050442	1	50	0.0	-74.06	374.34	-1.89	-75.95
C[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)C1CC1	REAL300029050448	0	46	0.0	-50.98	353.58	0.94	-50.04
C[N@@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)C1CC1	REAL300029050448	1	46	0.0	-66.31	350.89	1.01	-65.30
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)N1CC[NH+](C)CC1	REAL300029050450	1	54	0.0	-64.00	393.02	-0.64	-64.64
O=C(CC[N@@H+]1CCC(F)C1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029050454	0	49	0.0	-76.33	375.73	1.37	-74.96
O=C(CC[N@H+]1CCC(F)C1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029050454	1	49	0.0	-56.55	377.32	1.36	-55.19
COC1C[N@H+](C)C(C)(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029050470	0	53	0.0	-57.05	382.57	-1.08	-58.13
COC1C[N@@H+](C)C(C)(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029050470	1	53	0.0	-38.08	376.22	-0.07	-38.15
CC(CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)C[NH+](C)C	REAL300029050493	0	51	0.0	-59.75	381.45	1.57	-58.18
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC[N@@H+]3CCOCC23)CC(O)C1	REAL300029050515	0	51	0.0	-51.83	377.87	-0.39	-52.22
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC[N@H+]3CCOCC23)CC(O)C1	REAL300029050515	1	51	0.0	-58.60	380.25	-0.31	-58.91
CC1=[NH+]C=C2C=CC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CC(O)C3)=CN21	REAL300029050524	0	47	0.0	-58.77	379.97	2.66	-56.11
C[N@@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029050544	1	50	0.0	-59.36	364.69	-0.70	-60.06
C[N@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029050544	1	50	0.0	-56.78	373.64	-0.64	-57.42
CC[NH+]1CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029050557	0	54	0.0	-60.84	400.59	-0.32	-61.16
CC1=CC(N)=[NH+]C=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029050626	1	45	0.0	-57.87	354.53	-1.19	-59.06
NC1=CC=C(CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C=[NH+]1	REAL300029050629	0	48	0.0	-52.60	383.31	0.08	-52.52
CC1(O)CC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029050687	0	50	0.0	-67.04	377.41	-2.02	-69.06
CC1(O)CC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029050687	1	50	0.0	-68.34	377.93	-2.01	-70.35
C[NH+](C)CCN1N=CC=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029050695	0	52	0.0	-62.39	390.72	0.60	-61.79
C[NH+]1CC(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029050731	0	46	0.0	-74.06	352.88	0.45	-73.61
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC[N@@H+]2C2CCCC2)CC(O)C1	REAL300029050737	0	53	0.0	-69.11	382.36	1.94	-67.17
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC[N@H+]2C2CCCC2)CC(O)C1	REAL300029050737	1	53	0.0	-48.27	392.56	2.21	-46.06
C[NH+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029050747	0	42	0.0	-70.10	321.34	-0.42	-70.52
C[N@H+](CCO)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029050792	0	49	0.0	-53.93	374.75	-2.40	-56.33
C[N@@H+](CCO)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029050792	1	49	0.0	-56.72	374.66	-2.38	-59.10
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+](C)C	REAL300029050793	0	45	0.0	-63.74	333.02	-0.16	-63.90
C[N@@H+]1CCCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029050818	0	52	0.0	-75.34	380.53	1.83	-73.51
C[N@H+]1CCCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029050818	1	52	0.0	-66.11	373.28	1.68	-64.43
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CC(O)C3)C=CN2C=[NH+]1	REAL300029050850	1	47	0.0	-55.95	380.60	3.47	-52.48
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+]1CC(C)C1	REAL300029050851	1	49	0.0	-51.78	365.59	0.80	-50.98
CC1CC[N@@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029050857	1	46	0.0	-69.47	352.92	0.63	-68.84
CC1CC[N@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029050857	1	46	0.0	-66.98	347.77	0.47	-66.51
C[NH+](C)CC=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029050877	0	46	0.0	-81.05	359.28	0.80	-80.25
CC1(C)C[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C1	REAL300029050892	1	49	0.0	-70.07	371.76	1.15	-68.92
O=C(CCCC[NH+]1CCCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029050906	0	58	0.0	-73.21	428.09	3.63	-69.58
CC1=C(C)[NH+]=C(CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)N1	REAL300029050920	1	50	0.0	-65.79	391.63	0.91	-64.88
C[NH+]1CCC(C2(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CC(O)C3)CC2)CC1	REAL300029050933	0	56	0.0	-70.80	410.55	2.65	-68.15
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CC(O)C3)C=CN2C=[NH+]1	REAL300029050943	1	47	0.0	-55.95	380.60	3.47	-52.48
C[NH+](C)CCSCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029050955	0	49	0.0	-78.37	388.24	1.57	-76.80
O=C(C[N@H+]1CCCC1CO)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029050984	0	50	0.0	-67.51	375.77	-1.95	-69.46
O=C(C[N@@H+]1CCCC1CO)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029050984	1	50	0.0	-50.25	378.43	-1.97	-52.22
CC[NH+](CC)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029050987	0	48	0.0	-68.72	357.38	0.93	-67.79
C[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)C1CCSC1	REAL300029050998	0	50	0.0	-54.74	383.78	1.77	-52.97
C[N@@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)C1CCSC1	REAL300029050998	1	50	0.0	-60.78	383.63	1.80	-58.98
O=C(C[NH+]1CCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029051000	1	43	0.0	-54.05	334.65	0.02	-54.03
CC[NH+](CC)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029051060	0	51	0.0	-70.62	378.89	1.52	-69.10
NC(=O)C1CC[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029051085	0	53	0.0	-83.18	399.16	-1.86	-85.04
C[NH+](C)CC1=CNC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)=C1	REAL300029051139	0	50	0.0	-61.84	385.32	1.03	-60.81
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+]1CCC(O)CC1	REAL300029051161	1	53	0.0	-58.90	390.38	-1.55	-60.45
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC3COCC[N@@H+]3C2)CC(O)C1	REAL300029051169	0	51	0.0	-54.92	375.75	-0.46	-55.38
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC3COCC[N@H+]3C2)CC(O)C1	REAL300029051169	1	51	0.0	-54.63	378.06	-0.38	-55.01
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+]1CCC1	REAL300029051188	1	46	0.0	-74.00	342.09	0.16	-73.84
CCC(CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)C[NH+](C)C	REAL300029051199	0	54	0.0	-74.00	396.15	2.24	-71.76
NC1=CC=C(C=CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C=[NH+]1	REAL300029051207	0	46	0.0	-80.00	371.19	-0.19	-80.19
C[NH+](C)CC(C)(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029051208	0	51	0.0	-62.95	360.14	0.78	-62.17
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029051282	0	49	0.0	-48.43	351.77	0.57	-47.86
C[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029051282	1	49	0.0	-46.66	362.38	1.02	-45.64
CC1CN2CC[N@@H+]1CC2C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029051299	0	52	0.0	-63.80	373.91	-1.87	-65.67
CC1CN2CC[N@H+]1CC2C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029051299	1	52	0.0	-63.89	372.83	-1.73	-65.62
C[NH+](C)CC(O)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029051329	0	49	0.0	-59.92	377.02	-1.42	-61.34
C[NH+]1C2CCC1CC(C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C1)C2	REAL300029051332	0	53	0.0	-55.29	369.46	1.27	-54.02
C=CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)[NH+](C)C	REAL300029051381	0	49	0.0	-51.94	360.03	0.72	-51.22
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC(O)C1	REAL300029051393	0	53	0.0	-49.76	383.43	1.85	-47.91
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC3CCCC[N@H+]3C2)CC(O)C1	REAL300029051393	1	53	0.0	-48.05	391.67	2.17	-45.88
C[NH+]1CCC(C)(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029051407	0	52	0.0	-43.14	366.06	0.82	-42.32
C[NH+]1CCC(O)(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)CC1	REAL300029051412	0	53	0.0	-56.56	393.99	-0.22	-56.78
COCC[N@@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029051428	0	56	0.0	-70.22	409.11	0.95	-69.27
COCC[N@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029051428	1	56	0.0	-71.93	411.72	0.72	-71.21
C[NH+]1C2CCC1CC(CC(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C1)C2	REAL300029051442	0	56	0.0	-73.18	400.22	2.58	-70.60
C[NH+](C)CCN1N=CC=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029051482	0	52	0.0	-62.39	390.72	0.60	-61.79
C[NH+]1CCC(C2(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CC(O)C3)CC2)CC1	REAL300029051529	0	56	0.0	-70.80	410.55	2.65	-68.15
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CC(O)C3)C=CN2C=[NH+]1	REAL300029051541	1	47	0.0	-55.95	380.60	3.47	-52.48
C[NH+](C)CCSCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029051552	0	49	0.0	-78.37	388.24	1.57	-76.80
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC3COCC[N@@H+]3C2)CC(O)C1	REAL300029051564	0	51	0.0	-54.92	375.75	-0.46	-55.38
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC3COCC[N@H+]3C2)CC(O)C1	REAL300029051564	1	51	0.0	-54.63	378.06	-0.38	-55.01
C[N@@H+]1CCCC1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029051729	0	51	0.0	-66.98	379.18	1.29	-65.69
C[N@H+]1CCCC1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029051729	1	51	0.0	-70.68	391.86	2.02	-68.66
C[N@@H+]1CCOC(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029051753	1	52	0.0	-72.40	385.74	0.93	-71.47
C[N@H+]1CCOC(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029051753	1	52	0.0	-77.98	392.51	1.12	-76.86
CC(C)[N@@H+]1CCCC1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029051905	0	57	0.0	-63.83	417.91	2.88	-60.95
CC(C)[N@H+]1CCCC1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029051905	1	57	0.0	-70.97	416.78	3.59	-67.38
CC1=[NH+]C=CN1CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029051935	1	49	0.0	-64.86	388.50	2.29	-62.57
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C3C[NH+]4CCC3CC4)C2)CC1	REAL300029051958	0	55	0.0	-80.66	404.31	2.83	-77.83
C[C@@H]1[C@H](C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@@H+]1C	REAL300029051991	0	54	0.0	-78.30	402.59	2.15	-76.15
C[C@@H]1[C@H](C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@H+]1C	REAL300029051991	1	54	0.0	-70.65	402.10	2.06	-68.59
CC[C@@H]1[C@@H](C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@@H+]1C	REAL300029051993	0	57	0.0	-70.22	411.97	2.32	-67.90
CC[C@@H]1[C@@H](C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@H+]1C	REAL300029051993	1	57	0.0	-68.26	417.18	2.86	-65.40
CC[N@@H+]1CCOC(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029051999	1	55	0.0	-73.35	403.92	1.49	-71.86
CC[N@H+]1CCOC(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029051999	1	55	0.0	-76.31	410.57	1.75	-74.56
CC[NH+](CC)CC(F)C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029052025	0	56	0.0	-66.74	421.15	2.67	-64.07
CC1CCC(C)[NH+]1CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029052058	0	57	0.0	-63.03	417.25	2.68	-60.35
O=C(CCC[NH+]1CCCC1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029052061	0	57	0.0	-69.37	429.88	3.35	-66.02
O=C(CC[NH+]1CCCCC1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029052064	0	57	0.0	-68.86	424.11	3.15	-65.71
CC[N@@H+]1CCCCC1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029052067	0	57	0.0	-64.51	406.39	2.63	-61.88
CC[N@H+]1CCCCC1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029052067	1	57	0.0	-63.54	419.12	3.01	-60.53
C[NH+](C)C1(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CCC1	REAL300029052077	0	54	0.0	-75.98	396.19	2.28	-73.70
CC(C)[C@@H](C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029052084	0	56	0.0	-71.85	408.91	3.13	-68.72
C[N@H+](CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CCC1	REAL300029052108	0	54	0.0	-65.47	406.36	2.71	-62.76
C[N@@H+](CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CCC1	REAL300029052108	1	54	0.0	-66.74	406.38	2.89	-63.85
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029052174	1	53	0.0	-65.45	405.63	2.49	-62.96
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029052174	1	53	0.0	-66.05	412.16	3.00	-63.05
C[N@@H+]1CCCC1CCC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029052179	0	57	0.0	-71.64	427.88	3.33	-68.31
C[N@H+]1CCCC1CCC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029052179	1	57	0.0	-69.11	421.95	2.84	-66.27
C[NH+]1CCC(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029052197	0	54	0.0	-72.96	402.24	2.37	-70.59
C[N@@H+]1CCCCC1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029052232	0	54	0.0	-66.38	388.71	2.02	-64.36
C[N@H+]1CCCCC1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029052232	1	54	0.0	-70.26	407.84	2.73	-67.53
O=C(C1=CN2C=[NH+]C=C2C=C1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029052296	0	49	0.0	-70.80	386.31	3.89	-66.91
O=C(CC[NH+]1CCOCC1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029052302	1	55	0.0	-72.03	415.31	0.82	-71.21
CC1=C[NH+]=CN1CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029052315	1	49	0.0	-68.98	390.01	3.27	-65.71
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C34CCC[NH+]3CCC4)C2)CC1	REAL300029052334	0	55	0.0	-76.31	400.96	2.70	-73.61
C[N@@H+]1CCC(CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029052343	0	54	0.0	-71.58	407.35	2.50	-69.08
C[N@H+]1CCC(CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029052343	1	54	0.0	-71.72	406.66	2.44	-69.28
CCC(C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029052350	0	53	0.0	-65.48	389.13	1.74	-63.74
O=C(C1=CC2=C[NH+]=CN2C=C1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029052377	1	49	0.0	-81.04	391.96	4.26	-76.78
C[NH+](C)CCCCC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029052407	0	56	0.0	-71.63	425.41	2.94	-68.69
CC(C)C(C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029052419	0	56	0.0	-66.37	403.79	2.31	-64.06
CCC[N@H+](C)CCC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029052420	0	56	0.0	-70.32	421.71	2.69	-67.63
CCC[N@@H+](C)CCC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029052420	1	56	0.0	-70.13	421.71	2.66	-67.47
CCC[N@H+](C)CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029052424	0	53	0.0	-73.39	405.38	2.60	-70.79
CCC[N@@H+](C)CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029052424	1	53	0.0	-68.56	399.49	2.34	-66.22
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C34CC[N@H+](C3)CCC4)C2)CC1	REAL300029052438	0	55	0.0	-74.26	396.46	1.79	-72.47
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C34CC[N@@H+](C3)CCC4)C2)CC1	REAL300029052438	1	55	0.0	-73.48	403.13	2.21	-71.27
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029052464	0	51	0.0	-66.00	379.61	1.31	-64.69
C[N@H+]1CCC[C@@H]1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029052464	1	51	0.0	-65.58	383.67	1.78	-63.80
CC[NH+](CC)CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029052498	0	53	0.0	-65.28	395.62	2.12	-63.16
CC1CC[NH+](CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029052558	0	57	0.0	-67.23	422.68	3.19	-64.04
C[NH+](C)CC1(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029052579	0	54	0.0	-78.81	411.65	2.84	-75.97
C[NH+]1CCC(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029052631	0	54	0.0	-72.96	402.24	2.37	-70.59
CC(C)[C@H](C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029052647	0	56	0.0	-72.16	411.03	2.86	-69.30
CCC(C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](CC)CC	REAL300029052675	0	59	0.0	-61.70	422.07	3.03	-58.67
CC[N@H+](C)CCC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029052710	0	53	0.0	-69.69	400.21	1.94	-67.75
CC[N@@H+](C)CCC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029052710	1	53	0.0	-69.53	400.21	1.94	-67.59
CC1CCC[N@@H+]1CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029052737	0	54	0.0	-64.82	398.70	2.16	-62.66
CC1CCC[N@H+]1CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029052737	1	54	0.0	-64.90	404.70	2.48	-62.42
CC1CC[N@H+](CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029052739	0	54	0.0	-66.88	405.82	2.52	-64.36
CC1CC[N@@H+](CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029052739	1	54	0.0	-66.64	405.46	2.46	-64.18
CC1(C)CC[N@H+](CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029052743	0	57	0.0	-67.13	425.28	3.03	-64.10
CC1(C)CC[N@@H+](CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029052743	1	57	0.0	-66.84	425.27	3.05	-63.79
C[N@H+](CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)CC(C)(C)C	REAL300029052744	0	59	0.0	-68.28	428.82	3.38	-64.90
C[N@@H+](CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)CC(C)(C)C	REAL300029052744	1	59	0.0	-67.94	430.29	3.39	-64.55
CC[C@@H](C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029052752	0	53	0.0	-72.00	398.91	2.36	-69.64
C[NH+](C)CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029052848	0	47	0.0	-68.08	359.94	0.80	-67.28
O=C(C[NH+]1CCCCCC1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029052851	0	57	0.0	-65.99	410.90	2.84	-63.15
CN1C=C[N+](CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)=C1	REAL300029052854	0	49	0.0	-66.62	391.17	4.31	-62.31
C[N@@H+]1CCCC(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029052858	0	54	0.0	-69.23	405.63	2.45	-66.78
C[N@H+]1CCCC(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029052858	1	54	0.0	-71.97	410.37	2.67	-69.30
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C3CCC[N@@H+]3C3CC3)C2)CC1	REAL300029052863	0	55	0.0	-63.39	414.74	3.21	-60.18
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C3CCC[N@H+]3C3CC3)C2)CC1	REAL300029052863	1	55	0.0	-73.12	418.36	3.01	-70.11
CC(C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+]1CCC1	REAL300029052878	1	51	0.0	-73.72	385.13	1.88	-71.84
CCC(CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C[NH+](C)C	REAL300029052882	0	59	0.0	-70.53	430.90	3.31	-67.22
C[NH+](C)CC(C)(C)C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029052887	0	56	0.0	-69.46	402.60	2.09	-67.37
O=C(C[NH+]1CCC(O)CC1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029052900	1	55	0.0	-70.43	412.92	-0.78	-71.21
C[N@H+](CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300029052901	0	51	0.0	-64.52	389.33	2.21	-62.31
C[N@@H+](CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300029052901	1	51	0.0	-65.17	389.36	2.21	-62.96
C[NH+]1CC(CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029052916	0	51	0.0	-69.43	391.20	1.45	-67.98
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029052927	0	57	0.0	-64.86	402.40	1.82	-63.04
CC(C)(C)[N@H+]1CCC1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029052927	1	57	0.0	-64.96	403.70	2.01	-62.95
C[C@@H](C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029052938	0	50	0.0	-72.02	384.79	1.51	-70.51
[NH2+]=C1SC=CN1CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029052995	0	47	0.0	-65.54	387.31	1.10	-64.44
C[N@H+](CCO)CCC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053002	0	54	0.0	-69.15	410.56	-1.30	-70.45
C[N@@H+](CCO)CCC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053002	1	54	0.0	-69.68	410.56	-1.31	-70.99
C[C@@H](C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029053003	0	50	0.0	-72.02	384.79	1.51	-70.51
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053007	0	54	0.0	-66.36	388.70	2.02	-64.34
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053007	1	54	0.0	-64.75	401.33	2.37	-62.38
O=C(C[NH+]1CCC1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053057	1	48	0.0	-73.72	376.37	1.54	-72.18
C[N@@H+]1CCC(=CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029053074	0	52	0.0	-74.10	398.20	2.38	-71.72
C[N@H+]1CCC(=CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029053074	1	52	0.0	-76.14	404.47	2.71	-73.43
C[NH+](C)CCOCC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053095	0	54	0.0	-68.74	415.85	1.91	-66.83
C=CCC(C)(C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029053109	0	57	0.0	-67.80	406.22	2.78	-65.02
C[S+](C)CCC(O)C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053113	0	53	0.0	-75.81	420.42	0.28	-75.53
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053132	0	55	0.0	-80.25	407.54	-0.91	-81.16
CC1CN(CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029053150	0	51	0.0	-67.57	390.40	1.88	-65.69
CC1C[NH+](CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029053150	1	51	0.0	-67.57	390.40	1.88	-65.69
CN(CCO)CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053168	0	51	0.0	-69.23	388.34	-1.65	-70.88
C[N@H+](CCO)CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053168	1	51	0.0	-74.06	394.34	-1.43	-75.49
C[N@@H+](CCO)CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053168	1	51	0.0	-74.06	394.34	-1.43	-75.49
CC[N@@H+]1CCCC(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029053188	0	57	0.0	-73.12	424.01	3.07	-70.05
CC[N@H+]1CCCC(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029053188	1	57	0.0	-73.12	424.01	3.07	-70.05
CC(CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C[NH+](C)C	REAL300029053190	0	56	0.0	-70.48	417.34	2.79	-67.69
CC[N@H+](C)CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053195	0	50	0.0	-68.26	377.99	1.60	-66.66
CC[N@H+](CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300029053227	0	54	0.0	-65.66	401.54	2.60	-63.06
CC[NH+](CC)CCC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053237	0	56	0.0	-68.63	413.75	2.44	-66.19
CC1(C)CN(CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029053254	0	54	0.0	-73.59	416.98	2.64	-70.95
CC1(C)C[NH+](CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029053254	1	54	0.0	-73.59	416.98	2.64	-70.95
CC1(O)CC[N@H+](CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029053272	0	55	0.0	-68.19	416.59	-0.79	-68.98
C[NH+](C)CC=CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053275	0	51	0.0	-74.00	397.20	1.95	-72.05
CC(OCC[NH+](C)C)C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053284	0	57	0.0	-69.90	432.11	2.41	-67.49
C[NH+](C)CCOCCC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053290	0	57	0.0	-70.21	436.87	1.60	-68.61
COCCN(C)CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053291	0	54	0.0	-73.78	416.60	0.98	-72.80
COCC[N@H+](C)CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053291	1	54	0.0	-68.60	410.45	0.55	-68.05
COCC[N@@H+](C)CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053291	1	54	0.0	-68.60	410.45	0.55	-68.05
C[NH+](C)C1(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CCCC1	REAL300029053311	0	57	0.0	-78.28	415.33	3.25	-75.03
CC(CCC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029053313	0	56	0.0	-70.71	413.55	2.52	-68.19
CCN1CCC1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053319	0	51	0.0	-64.98	384.39	1.52	-63.46
CC[N@@H+]1CCC1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053319	1	51	0.0	-68.07	392.16	1.85	-66.22
CC[N@H+]1CCC1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053319	1	51	0.0	-68.07	392.16	1.85	-66.22
O=C(C[N@H+]1CCCC1CO)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053331	0	55	0.0	-64.43	405.85	-0.63	-65.06
C[NH+]1CCC(C)(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029053352	0	57	0.0	-73.03	416.87	2.62	-70.41
C=CCC(C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029053370	0	54	0.0	-64.58	402.50	2.26	-62.32
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053377	0	57	0.0	-72.08	425.64	2.62	-69.46
C[N@H+]1CC(C)(C)CC1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053377	1	57	0.0	-72.08	425.64	2.62	-69.46
C[NH+](C)CCCCCC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053379	0	59	0.0	-71.57	446.91	3.72	-67.85
CCCC(C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029053399	0	56	0.0	-66.60	410.68	2.56	-64.04
C[NH+](C)C(C)(C)C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053402	0	53	0.0	-70.83	382.42	1.34	-69.49
C[N@@H+]1CCCCC1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053428	0	54	0.0	-70.26	407.84	2.73	-67.53
C[N@H+]1CC=C(CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029053452	0	55	0.0	-71.47	425.50	3.35	-68.12
C[N@@H+]1CC=C(CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029053452	1	55	0.0	-71.47	425.50	3.35	-68.12
O=C(C=CC[NH+]1CCCC1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053488	0	55	0.0	-72.43	422.28	3.10	-69.33
O=C(CC[NH+]1CCCC1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053521	0	54	0.0	-69.08	407.97	2.44	-66.64
C[N@@H+]1CC2CC1(C(=O)N1CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C1)C2	REAL300029053548	0	52	0.0	-69.30	385.53	2.00	-67.30
O=C(C[N@@H+]1CC2CCC1C2)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053555	0	55	0.0	-71.03	413.33	3.14	-67.89
O=C(C[N@H+]1CC2CCC1C2)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053555	1	55	0.0	-71.03	413.33	3.14	-67.89
O=C(CN1CC2C=CC1C2)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053593	0	53	0.0	-64.46	398.60	2.67	-61.79
O=C(C[N@@H+]1CC2C=CC1C2)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053593	1	53	0.0	-71.24	405.73	2.98	-68.26
O=C(C[N@H+]1CC2C=CC1C2)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053593	1	53	0.0	-71.24	405.73	2.98	-68.26
CC(C[NH+](C)C)C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053625	0	53	0.0	-65.99	395.29	2.05	-63.94
C[N@@H+]1CCCCC1CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053670	0	57	0.0	-76.64	425.58	3.21	-73.43
C[N@H+]1CCCCC1CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053670	1	57	0.0	-76.64	425.58	3.21	-73.43
CC1CCN1CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053682	0	51	0.0	-66.70	386.86	1.71	-64.99
CC1CC[N@@H+]1CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053682	1	51	0.0	-67.68	391.79	1.89	-65.79
CC1CC[N@H+]1CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053682	1	51	0.0	-67.68	391.79	1.89	-65.79
C[NH+](C)CC(O)CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053685	0	54	0.0	-73.47	412.75	-0.18	-73.65
CC1CN(C)CC(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)O1	REAL300029053705	0	55	0.0	-78.18	407.88	1.87	-76.31
CC1C[N@H+](C)CC(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)O1	REAL300029053705	1	55	0.0	-73.34	407.66	1.71	-71.63
CC1C[N@@H+](C)CC(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)O1	REAL300029053705	1	55	0.0	-73.34	407.66	1.71	-71.63
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029053747	0	54	0.0	-67.94	409.33	2.52	-65.42
CC(CC[NH+](C)C)C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053752	0	56	0.0	-70.94	417.36	2.48	-68.46
CN1CCN(CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029053769	0	56	0.0	-74.45	425.38	0.49	-73.96
C[NH+]1CCN(CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029053769	1	56	0.0	-74.45	425.38	0.49	-73.96
NC(=[NH2+])SCC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053791	0	45	0.0	-69.41	368.58	-2.30	-71.71
C[NH+](C)CCC1(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029053820	0	57	0.0	-75.92	442.00	3.70	-72.22
C[N@@H+]1CC=CCC1CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053821	0	55	0.0	-67.12	412.52	3.22	-63.90
C[N@H+]1CC=CCC1CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053821	1	55	0.0	-67.12	412.52	3.22	-63.90
C[C@@H](OCC[NH+](C)C)C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053834	0	57	0.0	-72.34	439.84	2.66	-69.68
CCC1C[NH+](CC(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029053913	0	54	0.0	-68.38	412.61	2.53	-65.85
C[N@@H+]1CCC[C@H]1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053918	0	51	0.0	-65.84	384.82	1.79	-64.05
C[N@H+]1CCC[C@H]1C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053918	1	51	0.0	-68.24	378.96	1.29	-66.95
O=C(CC[N@H+]1CCC(F)C1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053924	0	54	0.0	-77.63	421.31	2.96	-74.67
O=C(CC[N@@H+]1CCC(F)C1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053924	1	54	0.0	-77.69	421.13	2.93	-74.76
O=C(C[NH+]1CCCCC1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053937	0	54	0.0	-66.45	401.68	2.67	-63.78
CC1C(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@@H+]1C	REAL300029053943	0	54	0.0	-73.36	396.60	1.80	-71.56
CC1C(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@H+]1C	REAL300029053943	1	54	0.0	-73.46	406.53	2.34	-71.12
C[N@@H+]1CCOCC1CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053972	1	55	0.0	-69.86	409.51	0.89	-68.97
C[N@H+]1CCOCC1CC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053972	1	55	0.0	-69.58	409.50	0.68	-68.90
C[N@@H+]1CCCC1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029054142	0	51	0.0	-68.76	381.46	1.68	-67.08
C[N@H+]1CCCC1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029054142	1	51	0.0	-73.57	385.74	1.72	-71.85
C[N@@H+]1CCOC(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029054168	1	52	0.0	-78.01	393.55	1.19	-76.82
C[N@H+]1CCOC(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029054168	1	52	0.0	-78.36	387.21	1.01	-77.35
O=C(CC[NH+]1CCOCC1)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029054319	1	55	0.0	-76.47	416.40	1.00	-75.47
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1	REAL300029054330	0	55	0.0	-66.84	399.33	2.29	-64.55
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)CC2)C1	REAL300029054336	1	49	0.0	-78.85	401.90	4.58	-74.27
C[N@@H+]1CCC(CC(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029054364	0	54	0.0	-75.23	407.88	2.48	-72.75
C[N@H+]1CCC(CC(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029054364	1	54	0.0	-77.70	414.12	2.78	-74.92
CCC(C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300029054371	0	53	0.0	-68.71	391.15	1.96	-66.75
C[NH+](C)CCCCC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029054407	0	56	0.0	-74.21	426.52	3.14	-71.07
CC(C)C(C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300029054421	0	56	0.0	-69.57	402.26	2.33	-67.24
CCC[N@H+](C)CCC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029054422	0	56	0.0	-74.22	422.74	2.96	-71.26
CCC[N@@H+](C)CCC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029054422	1	56	0.0	-74.08	422.74	2.94	-71.14
CCC[N@H+](C)CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029054426	0	53	0.0	-71.62	400.38	2.36	-69.26
CCC[N@@H+](C)CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029054426	1	53	0.0	-71.81	400.38	2.35	-69.46
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C34CC[N@H+](C3)CCC4)CC2)C1	REAL300029054440	0	55	0.0	-72.17	395.70	1.69	-70.48
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C34CC[N@@H+](C3)CCC4)CC2)C1	REAL300029054440	1	55	0.0	-74.04	394.79	1.80	-72.24
CC1CC[NH+](CC(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029054473	0	57	0.0	-71.89	423.71	3.42	-68.47
C[NH+](C)CC1(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029054513	0	54	0.0	-73.34	415.03	2.75	-70.59
CC[N@H+](C)CCC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029054532	0	53	0.0	-73.49	401.25	2.23	-71.26
CC[N@@H+](C)CCC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029054532	1	53	0.0	-73.32	401.25	2.22	-71.10
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3C[NH+]4CCC3CC4)CC2)C1	REAL300029054546	0	55	0.0	-74.21	397.63	2.43	-71.78
C[NH+]1CCC(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029054593	0	54	0.0	-76.51	405.15	2.52	-73.99
CC(C)[C@H](C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300029054609	0	56	0.0	-73.09	410.00	2.74	-70.35
CC[NH+](CC)CC(F)C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029054664	0	56	0.0	-77.05	417.49	2.56	-74.49
C[NH+](C)C1(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CCC1	REAL300029054682	0	54	0.0	-70.02	385.35	1.92	-68.10
CCC(C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](CC)CC	REAL300029054710	0	59	0.0	-65.02	421.94	3.08	-61.94
CC1CCC[N@@H+]1CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029054721	0	54	0.0	-68.78	406.31	2.71	-66.07
CC1CCC[N@H+]1CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029054721	1	54	0.0	-68.99	406.62	2.72	-66.27
CC(C)[N@@H+]1CCCC1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029054761	0	57	0.0	-67.38	420.53	2.85	-64.53
CC(C)[N@H+]1CCCC1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029054761	1	57	0.0	-66.39	419.32	2.84	-63.55
CC(C)[C@@H](C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300029054769	0	56	0.0	-73.20	406.99	2.90	-70.30
CC1CC[N@H+](CC(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029054782	0	54	0.0	-70.89	406.30	2.61	-68.28
CC1CC[N@@H+](CC(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029054782	1	54	0.0	-74.22	413.31	2.90	-71.32
CC1(C)CC[N@H+](CC(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029054786	0	57	0.0	-70.91	425.72	3.17	-67.74
CC1(C)CC[N@@H+](CC(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029054786	1	57	0.0	-74.41	432.36	3.41	-71.00
C[N@H+](CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)CC(C)(C)C	REAL300029054787	0	59	0.0	-71.46	428.98	3.35	-68.11
C[N@@H+](CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)CC(C)(C)C	REAL300029054787	1	59	0.0	-71.61	430.94	3.50	-68.11
CC[C@@H](C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300029054795	0	53	0.0	-70.93	392.00	2.01	-68.92
CC1=[NH+]C=CN1CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029054901	1	49	0.0	-67.96	389.55	2.53	-65.43
CC[N@@H+]1CCOC(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029054958	1	55	0.0	-80.86	418.31	2.13	-78.73
CC[N@H+]1CCOC(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029054958	1	55	0.0	-81.03	417.83	2.07	-78.96
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)CC2)C1	REAL300029054987	0	49	0.0	-76.22	395.93	4.30	-71.92
CC1=C[NH+]=CN1CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029054990	1	49	0.0	-74.08	397.03	3.53	-70.55
C[C@@H]1[C@H](C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@@H+]1C	REAL300029054996	0	54	0.0	-76.40	396.74	1.90	-74.50
C[C@@H]1[C@H](C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@H+]1C	REAL300029054996	1	54	0.0	-75.08	403.57	2.07	-73.01
CC[C@@H]1[C@@H](C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@@H+]1C	REAL300029054998	0	57	0.0	-76.49	420.66	2.65	-73.84
CC[C@@H]1[C@@H](C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@H+]1C	REAL300029054998	1	57	0.0	-72.28	419.01	2.80	-69.48
CC1CCC(C)[NH+]1CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055005	0	57	0.0	-67.89	418.25	2.93	-64.96
O=C(CCC[NH+]1CCCC1)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055008	0	57	0.0	-72.59	429.39	3.44	-69.15
O=C(CC[NH+]1CCCCC1)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055012	0	57	0.0	-72.88	425.13	3.43	-69.45
CC[N@@H+]1CCCCC1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055015	0	57	0.0	-68.03	418.25	3.07	-64.96
CC[N@H+]1CCCCC1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055015	1	57	0.0	-70.89	414.21	2.95	-67.94
C[N@H+](CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCC1	REAL300029055106	0	54	0.0	-69.28	407.28	2.92	-66.36
C[N@@H+](CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCC1	REAL300029055106	1	54	0.0	-70.07	407.39	2.93	-67.14
C[NH+]1CCC(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029055135	0	54	0.0	-76.51	405.15	2.52	-73.99
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055163	0	51	0.0	-68.76	379.88	1.37	-67.39
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055163	1	51	0.0	-68.28	382.57	1.70	-66.58
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055181	1	53	0.0	-69.04	406.56	2.58	-66.46
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055181	1	53	0.0	-71.99	415.98	3.31	-68.68
C[N@@H+]1CCCC1CCC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055186	0	57	0.0	-78.52	435.04	3.67	-74.85
C[N@H+]1CCCC1CCC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055186	1	57	0.0	-72.92	428.70	3.25	-69.67
C[N@@H+]1CCCCC1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055257	0	54	0.0	-69.31	400.60	2.44	-66.87
C[N@H+]1CCCCC1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055257	1	54	0.0	-72.20	393.29	2.21	-69.99
CC1C(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@@H+]1C	REAL300029055313	0	54	0.0	-69.73	402.76	2.13	-67.60
CC1C(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@H+]1C	REAL300029055313	1	54	0.0	-74.17	409.90	2.45	-71.72
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055368	0	57	0.0	-68.13	421.86	2.46	-65.67
CC(C)(C)[N@H+]1CCC1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055368	1	57	0.0	-71.31	409.55	2.11	-69.20
C[C@@H](C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300029055382	0	50	0.0	-72.98	384.11	1.60	-71.38
C=CCC(C)(C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300029055396	0	57	0.0	-64.82	406.04	2.35	-62.47
O=C(CC[NH+]1CCCC1)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055413	0	54	0.0	-72.90	409.45	2.72	-70.18
C[N@H+](CCO)CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055422	1	51	0.0	-72.81	389.23	-1.63	-74.44
C[N@@H+](CCO)CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055422	1	51	0.0	-71.56	389.00	-1.62	-73.18
C[N@H+]1CC=C(CC(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029055477	0	55	0.0	-71.33	420.08	3.30	-68.03
C[N@@H+]1CC=C(CC(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029055477	1	55	0.0	-69.81	420.09	3.31	-66.50
C[S+](C)CCC(O)C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055487	0	53	0.0	-81.76	422.37	0.38	-81.38
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055500	0	55	0.0	-69.64	400.77	-1.52	-71.16
C[N@H+]1CC(O)CC1(C)C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055500	1	55	0.0	-70.46	405.26	-1.63	-72.09
CC1C[NH+](CC(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029055528	1	51	0.0	-74.99	398.54	2.29	-72.70
CC[N@@H+]1CCCC(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029055534	0	57	0.0	-70.76	422.95	3.12	-67.64
CC[N@H+]1CCCC(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029055534	1	57	0.0	-66.62	419.47	3.48	-63.14
NC1=[NH+]C=CC=C1CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055538	0	50	0.0	-70.89	401.51	1.05	-69.84
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3CCC[N@@H+]3C3CC3)CC2)C1	REAL300029055546	0	55	0.0	-71.79	413.38	2.75	-69.04
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3CCC[N@H+]3C3CC3)CC2)C1	REAL300029055546	1	55	0.0	-66.71	413.91	3.04	-63.67
O=C(C=CC[NH+]1CCCC1)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055574	0	55	0.0	-76.42	422.34	3.35	-73.07
CC[N@H+](C)CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055618	0	50	0.0	-74.67	385.00	1.85	-72.82
O=C(CN1CC2C=CC1C2)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055651	0	53	0.0	-71.00	406.10	3.06	-67.94
O=C(C[N@@H+]1CC2C=CC1C2)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055651	1	53	0.0	-69.83	400.34	2.93	-66.90
O=C(C[N@H+]1CC2C=CC1C2)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055651	1	53	0.0	-69.83	400.34	2.93	-66.90
CC(OCC[NH+](C)C)C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055733	0	57	0.0	-74.25	432.93	2.50	-71.75
C[NH+](C)CCOCCC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055740	0	57	0.0	-72.66	437.98	1.79	-70.87
COCCN(C)CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055742	0	54	0.0	-71.20	411.26	0.78	-70.42
COCC[N@H+](C)CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055742	1	54	0.0	-72.98	411.48	0.77	-72.21
COCC[N@@H+](C)CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055742	1	54	0.0	-72.98	411.48	0.77	-72.21
CC(CCC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300029055745	0	56	0.0	-71.50	418.51	2.76	-68.74
CC[N@H+](CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC1	REAL300029055760	0	54	0.0	-68.50	407.18	2.93	-65.57
C[N@@H+]1CC2CC1(C(=O)N1CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC1)C2	REAL300029055786	0	52	0.0	-74.12	387.74	2.05	-72.07
O=C(C[N@@H+]1CC2CCC1C2)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055795	0	55	0.0	-69.36	404.90	2.84	-66.52
O=C(C[N@H+]1CC2CCC1C2)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055795	1	55	0.0	-69.36	404.90	2.84	-66.52
CC(C[NH+](C)C)C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055809	0	53	0.0	-74.43	398.71	2.05	-72.38
CCN1CCC1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055844	0	51	0.0	-72.87	389.15	1.68	-71.19
CC[N@@H+]1CCC1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055844	1	51	0.0	-70.84	392.32	1.95	-68.89
CC[N@H+]1CCC1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055844	1	51	0.0	-70.84	392.32	1.95	-68.89
CCC(C)(C)[NH2+]C(C)C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055854	0	59	0.0	-69.93	423.65	1.29	-68.64
NC1=CC=[NH+]C=C1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055880	0	47	0.0	-75.26	378.86	-0.84	-76.10
CCCC(C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300029055888	0	56	0.0	-71.52	412.15	2.74	-68.78
C[NH+](C)C(C)(C)C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055892	0	53	0.0	-72.94	382.17	1.43	-71.51
CC(CC[NH+](C)C)C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055905	0	56	0.0	-74.71	420.37	2.69	-72.02
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055959	0	57	0.0	-69.10	426.47	2.98	-66.12
C[N@H+]1CC(C)(C)CC1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055959	1	57	0.0	-70.00	419.97	2.51	-67.49
C[NH+](C)CCCCCC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055961	0	59	0.0	-73.67	448.02	3.92	-69.75
C[NH+]1CCN(CC(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029055968	1	56	0.0	-74.97	426.29	0.68	-74.29
CC1C[N@H+](C)CC(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)O1	REAL300029056018	1	55	0.0	-83.15	408.49	1.91	-81.24
CC1C[N@@H+](C)CC(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)O1	REAL300029056018	1	55	0.0	-87.38	414.44	1.67	-85.71
O=C(C[NH+]1CC2CC2C1)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056047	0	52	0.0	-74.91	402.74	3.08	-71.83
C[N@@H+]1CCCCC1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056072	0	54	0.0	-69.31	400.60	2.44	-66.87
C[N@H+]1CCCCC1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056072	1	54	0.0	-72.20	393.29	2.21	-69.99
C[N@@H+]1CCC(=CC(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029056139	0	52	0.0	-75.26	399.23	2.37	-72.89
C[N@H+]1CCC(=CC(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029056139	1	52	0.0	-74.79	399.24	2.38	-72.41
O=C(CNC1=CC=[NH+]C=C1)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056142	0	50	0.0	-71.68	396.84	0.20	-71.48
C[NH+](C)C1(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CCCC1	REAL300029056199	0	57	0.0	-68.37	396.94	2.45	-65.92
CCC1C[NH+](CC(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029056208	0	54	0.0	-75.88	419.67	3.03	-72.85
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056218	0	51	0.0	-70.02	385.76	1.80	-68.22
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056218	1	51	0.0	-71.37	379.92	1.35	-70.02
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029056310	0	54	0.0	-74.26	410.07	2.67	-71.59
C[NH+](C)CCC1(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029056319	0	57	0.0	-74.26	440.17	3.59	-70.67
C[N@@H+]1CC=CCC1CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056320	0	55	0.0	-68.88	413.27	3.23	-65.65
C[N@H+]1CC=CCC1CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056320	1	55	0.0	-64.63	407.30	2.99	-61.64
C[NH+](C)CCOCC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056353	0	54	0.0	-71.18	417.00	2.07	-69.11
[NH2+]=C1SC=CN1CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056380	0	47	0.0	-70.86	394.34	1.38	-69.48
C[C@@H](OCC[NH+](C)C)C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056418	0	57	0.0	-68.83	432.36	2.49	-66.34
C[N@@H+]1CCCC(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029056446	0	54	0.0	-65.91	396.23	2.47	-63.44
C[N@H+]1CCCC(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029056446	1	54	0.0	-65.91	396.23	2.47	-63.44
O=C(C[NH+]1CCCCCC1)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056447	0	57	0.0	-71.33	412.31	3.00	-68.33
CN1C=C[N+](CC(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=C1	REAL300029056450	0	49	0.0	-69.97	392.38	4.45	-65.52
O=C(CN1CCC(O)CC1)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056471	0	55	0.0	-75.45	413.96	-0.55	-76.00
O=C(C[NH+]1CCC(O)CC1)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056471	1	55	0.0	-75.45	413.96	-0.55	-76.00
C[N@H+](CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC1	REAL300029056472	0	51	0.0	-69.46	390.57	2.34	-67.12
O=C(CC[N@H+]1CCC(F)C1)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056475	0	54	0.0	-80.49	415.48	2.76	-77.73
CC(CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C[NH+](C)C	REAL300029056495	0	56	0.0	-73.94	418.32	3.00	-70.94
CN1CCOCC1CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056514	0	55	0.0	-77.34	411.82	0.79	-76.55
C[N@@H+]1CCOCC1CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056514	1	55	0.0	-78.29	411.91	0.67	-77.62
C[N@H+]1CCOCC1CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056514	1	55	0.0	-78.29	411.91	0.67	-77.62
CC1=CC(N)=NC=C1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056554	0	50	0.0	-75.23	399.96	0.47	-74.76
CC1=CC(N)=[NH+]C=C1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056554	1	50	0.0	-75.23	399.96	0.47	-74.76
CC1(O)CC[N@H+](CC(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029056583	0	55	0.0	-72.35	417.40	-0.68	-73.03
C[NH+]1CC(CC(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029056610	0	51	0.0	-73.65	392.42	1.81	-71.84
C[N@H+](CCO)CCC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056637	0	54	0.0	-73.14	411.59	-1.02	-74.16
C[N@@H+](CCO)CCC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056637	1	54	0.0	-73.14	411.59	-1.02	-74.16
C[N@@H+]1CCCCC1CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056653	0	57	0.0	-63.97	412.90	3.06	-60.91
C[N@H+]1CCCCC1CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056653	1	57	0.0	-63.97	412.90	3.06	-60.91
CC1CCN1CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056667	0	51	0.0	-73.79	398.60	2.27	-71.52
CC1CC[N@@H+]1CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056667	1	51	0.0	-73.72	398.96	2.21	-71.51
CC1CC[N@H+]1CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056667	1	51	0.0	-73.72	398.96	2.21	-71.51
C[NH+](C)CC=CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056674	0	51	0.0	-77.37	397.26	2.19	-75.18
CC1(C)CN(CC(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029056680	0	54	0.0	-75.21	417.85	2.81	-72.40
CC1(C)C[NH+](CC(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029056680	1	54	0.0	-75.21	417.85	2.81	-72.40
C[NH+](C)CCSCC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056700	0	54	0.0	-77.15	428.03	2.95	-74.20
O=C(C[N@H+]1CCCC1CO)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056717	0	55	0.0	-70.87	410.59	-1.00	-71.87
CC[NH+](CC)CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056721	0	53	0.0	-70.02	392.74	2.03	-67.99
O=C(CN1CCC1)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056730	0	48	0.0	-71.72	371.24	1.36	-70.36
O=C(C[NH+]1CCC1)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056730	1	48	0.0	-71.72	371.24	1.36	-70.36
CC[NH+](CC)CCC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056760	0	56	0.0	-72.71	414.75	2.64	-70.07
CCC(CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C[NH+](C)C	REAL300029056821	0	59	0.0	-66.31	436.66	3.61	-62.70
C[NH+](C)CC(C)(C)C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056827	0	56	0.0	-68.27	393.64	2.39	-65.88
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056862	0	54	0.0	-72.08	396.95	2.16	-69.92
C[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056862	1	54	0.0	-66.98	401.48	2.53	-64.45
C[NH+](C)CC(O)CC(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056886	0	54	0.0	-76.73	413.63	0.02	-76.71
C=CCC(C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300029056908	0	54	0.0	-68.45	402.41	2.32	-66.13
C[NH+]1CCC(C)(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029056921	0	57	0.0	-67.69	409.41	2.33	-65.36
C[NH+](C)CCSCC(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029056981	0	54	0.0	-74.52	426.94	2.74	-71.78
C[NH+](C)CC(=O)NCC(N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(F)(F)F	REAL300029057018	0	49	0.0	-75.55	383.49	0.41	-75.14
C[NH+](C)CC(=O)N1CCN(C(CNC(=O)C2=CC(=O)[N-]O2)C(F)(F)F)CC1	REAL300029057103	0	49	0.0	-66.33	386.02	0.68	-65.65
C[C@H]1CN(C(=O)C2CCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029057248	0	45	0.0	-65.20	338.59	3.39	-61.81
C[C@H]1CN(C(=O)C2CCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029057248	1	45	0.0	-67.45	332.25	3.00	-64.45
C[C@H]1CN(C(=O)C2C[N@H+](C)CCO2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029057272	1	46	0.0	-73.58	344.76	2.50	-71.08
C[C@H]1CN(C(=O)C2C[N@@H+](C)CCO2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029057272	1	46	0.0	-73.76	342.06	2.66	-71.10
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029057474	1	52	0.0	-62.56	401.64	5.86	-56.70
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1)[NH+]1CCCCCC1	REAL300029057482	0	54	0.0	-63.47	376.82	4.65	-58.82
CC(C)[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029057485	0	54	0.0	-60.63	383.61	4.76	-55.87
CC(C)[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029057485	1	54	0.0	-60.57	383.34	4.78	-55.79
CC(C)[N@@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029057521	0	51	0.0	-63.22	362.72	4.65	-58.57
CC(C)[N@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029057521	1	51	0.0	-62.42	374.17	4.45	-57.97
C[C@H]1CN(C(=O)C2CC3CCCC[N@@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029057551	0	52	0.0	-66.00	376.25	4.83	-61.17
C[C@H]1CN(C(=O)C2CC3CCCC[N@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029057551	1	52	0.0	-68.39	379.67	5.08	-63.31
CC(C)C1=[NH+]C=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029057591	1	49	0.0	-63.37	377.95	5.11	-58.26
CC1=[NH+]C=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029057653	1	43	0.0	-64.78	341.62	3.99	-60.79
CC(C[NH+]1CCOCC1)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029057655	0	52	0.0	-67.93	387.65	3.27	-64.66
C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029057678	0	54	0.0	-69.47	401.74	5.94	-63.53
C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029057719	0	54	0.0	-67.03	373.25	4.62	-62.41
C[C@H]1CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029057722	0	58	0.0	-68.29	413.07	6.10	-62.19
C[C@H]1CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029057722	1	58	0.0	-68.89	413.61	6.10	-62.79
C[C@H]1CN(C(=O)C2C[NH+]3CCC2CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029057740	0	49	0.0	-70.25	353.32	4.06	-66.19
C[C@H]1CN(C(=O)C2CCCC3CCC[N@@H+]32)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029057807	0	52	0.0	-63.63	372.29	5.07	-58.56
C[C@H]1CN(C(=O)C2CCCC3CCC[N@H+]32)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029057807	1	52	0.0	-63.74	369.14	4.69	-59.05
C[C@H]1CN(C(=O)C2=CN(CC[NH+](C)C)N=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029057810	0	51	0.0	-75.01	396.79	3.83	-71.18
C[C@H]1CN(C(=O)C2=NN(CC[NH+](C)C)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029057827	0	51	0.0	-71.97	393.43	4.04	-67.93
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)CC[N@@H+]1C	REAL300029057835	0	48	0.0	-68.97	351.04	4.03	-64.94
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)CC[N@H+]1C	REAL300029057835	1	48	0.0	-68.99	358.34	3.96	-65.03
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029057839	1	52	0.0	-62.75	401.99	5.82	-56.93
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)CC[N@@H+]1C	REAL300029057842	0	51	0.0	-69.02	365.77	3.93	-65.09
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)CC[N@H+]1C	REAL300029057842	1	51	0.0	-68.68	369.30	4.19	-64.49
CC[N@@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)C1	REAL300029057872	1	49	0.0	-72.43	368.11	3.55	-68.88
CC[N@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)C1	REAL300029057872	1	49	0.0	-68.52	357.44	3.35	-65.17
CC[NH+](CC)CC(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029057948	0	50	0.0	-72.21	376.90	4.54	-67.67
C[C@H]1CN(C(=O)C2=C(C[NH+](C)C)C=CS2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029057949	0	48	0.0	-60.99	373.79	4.63	-56.36
C[C@H]1CN(C(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029058003	1	52	0.0	-72.95	388.94	3.26	-69.69
C[C@H]1CN(C(=O)C2=NNC(C3CCC[N@H+]3C)=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029058003	1	52	0.0	-72.81	393.85	3.71	-69.10
CC1CCC(C)[NH+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029058078	0	51	0.0	-64.35	371.60	4.48	-59.87
C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029058089	0	51	0.0	-69.22	386.07	5.25	-63.97
C[C@H]1CN(C(=O)C2=CC=CC(C[NH+](C)C)=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029058090	0	51	0.0	-70.56	389.98	5.56	-65.00
C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)CC1	REAL300029058100	0	50	0.0	-72.23	383.17	5.31	-66.92
C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029058102	0	51	0.0	-69.64	379.96	5.02	-64.62
C[C@H]1CN(C(=O)C2=CC=CC=C2C[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029058106	0	51	0.0	-64.19	386.21	5.87	-58.32
CC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029058118	0	51	0.0	-62.89	374.64	4.87	-58.02
CC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029058118	1	51	0.0	-63.06	374.34	4.80	-58.26
CC(C)C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1)[NH+]1CCCCC1	REAL300029058119	0	57	0.0	-62.38	393.73	5.79	-56.59
C[C@H]1CN(C(=O)C(C2=CC=CC=C2)[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029058123	1	51	0.0	-64.58	380.16	5.49	-59.09
CC(C)C[N@@H+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)C1	REAL300029058150	0	54	0.0	-68.20	392.00	5.10	-63.10
CC(C)C[N@H+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)C1	REAL300029058150	1	54	0.0	-69.39	397.89	5.38	-64.01
C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029058154	0	48	0.0	-65.33	344.01	3.66	-61.67
C[C@H]1CN(C(=O)C2CCC[N@@H+]2C2CCOCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029058157	0	56	0.0	-66.00	404.11	3.74	-62.26
C[C@H]1CN(C(=O)C2CCC[N@H+]2C2CCOCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029058157	1	56	0.0	-66.48	395.28	4.08	-62.40
C[C@H]1CN(C(=O)C(CN2C=CC=N2)[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029058159	1	51	0.0	-65.07	386.13	3.78	-61.29
CC(C)[N@@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029058166	0	54	0.0	-61.97	383.76	4.47	-57.50
CC(C)[N@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029058166	1	54	0.0	-66.43	385.36	4.88	-61.55
C[C@H]1CN(C(=O)C2CCC[N@@H+]2C2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029058167	0	55	0.0	-64.89	390.57	6.26	-58.63
C[C@H]1CN(C(=O)C2CCC[N@H+]2C2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029058167	1	55	0.0	-63.92	396.83	5.70	-58.22
CC(C)[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1)[NH+](C)C	REAL300029058197	0	50	0.0	-64.95	357.24	4.07	-60.88
C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029058270	0	48	0.0	-66.58	358.22	4.26	-62.32
C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029058270	1	48	0.0	-66.48	358.21	4.24	-62.24
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1)[NH+]1C(C)CCC1C	REAL300029058375	0	54	0.0	-61.50	388.36	5.12	-56.38
C[C@H]1CN(C(=O)CCN(C)C2=CC=[NH+]C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029058460	0	50	0.0	-64.65	390.41	4.25	-60.40
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029058474	1	47	0.0	-64.68	357.30	4.03	-60.65
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029058474	1	47	0.0	-71.57	368.82	4.85	-66.72
C[C@H]1CN(C(=O)CCC2CCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029058486	0	51	0.0	-68.23	377.20	4.61	-63.62
C[C@H]1CN(C(=O)CCC2CCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029058486	1	51	0.0	-69.85	379.46	4.84	-65.01
C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029058503	0	52	0.0	-79.93	358.06	3.91	-76.02
C[C@H]1CN(C(=O)C2CCC3CCCC[N@@H+]32)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029058511	0	52	0.0	-62.21	380.66	5.30	-56.91
C[C@H]1CN(C(=O)C2CCC3CCCC[N@H+]32)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029058511	1	52	0.0	-62.09	379.88	5.29	-56.80
C[C@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029058523	0	55	0.0	-67.79	387.01	3.20	-64.59
CC[NH+](CC)CC1=CC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)O1	REAL300029058540	0	54	0.0	-65.89	413.18	5.81	-60.08
C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029058545	0	54	0.0	-68.68	402.40	5.59	-63.09
C[C@H]1CN(C(=O)C[N@H+](C)CC2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029058548	1	51	0.0	-72.67	388.72	5.88	-66.79
C[C@H]1CN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029058548	1	51	0.0	-72.55	388.71	5.88	-66.67
C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029058566	0	48	0.0	-70.92	359.03	4.10	-66.82
C[C@H]1CN(C(=O)C2=NOC(C[NH+](C)C)=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029058639	1	47	0.0	-75.33	371.26	3.90	-71.43
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)C=CC2=C[NH+]=CN21	REAL300029058641	0	46	0.0	-66.64	368.85	6.15	-60.49
C[C@H]1CN(C(=O)C2CCCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029058700	0	48	0.0	-66.31	349.05	3.83	-62.48
C[C@H]1CN(C(=O)C2CCCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029058700	1	48	0.0	-66.45	345.23	3.68	-62.77
CC(C)C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029058737	0	54	0.0	-63.93	392.94	5.39	-58.54
CC(C)C[N@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029058737	1	54	0.0	-64.74	387.96	5.96	-58.78
C[C@H]1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029058926	0	43	0.0	-73.13	343.93	5.81	-67.32
CC1=[NH+]C=CN1CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029058942	1	49	0.0	-65.76	383.03	5.23	-60.53
C[C@H]1CN(C(=O)CCCC[NH+]2CCOCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029058946	1	55	0.0	-71.88	410.38	3.94	-67.94
C[C@H]1CN(C(=O)C2=CC=C(C[NH+](C)C)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029058952	0	51	0.0	-79.19	394.18	5.84	-73.35
C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029058953	1	49	0.0	-72.51	367.38	2.36	-70.15
C[C@H]1CN(C(=O)C(C)(C2=CC=CC=C2)[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029058975	0	54	0.0	-62.93	385.10	5.36	-57.57
CCC[NH+](CCC)CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029058983	0	59	0.0	-70.00	434.30	6.58	-63.42
CC[N@H+](C)C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1)C1=CC=CC=C1	REAL300029058984	0	54	0.0	-62.94	397.96	6.14	-56.80
CC[N@@H+](C)C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1)C1=CC=CC=C1	REAL300029058984	1	54	0.0	-63.63	396.65	6.28	-57.35
CC1=C[NH+]=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029059011	1	43	0.0	-67.74	341.97	4.72	-63.02
C[C@H]1CN(C(=O)CN2C=[NH+]C3=C2CCCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029059025	1	50	0.0	-66.39	387.55	6.60	-59.79
C[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029059073	0	57	0.0	-66.55	388.86	5.06	-61.49
C[C@H]1CN(C(=O)C2=CC=CC=C2CC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029059074	0	54	0.0	-64.18	410.74	6.48	-57.70
C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029059081	0	57	0.0	-70.26	410.52	5.94	-64.32
C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029059081	1	57	0.0	-70.27	410.52	5.94	-64.33
C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029059087	0	49	0.0	-62.50	352.92	3.94	-58.56
C[C@H]1CN(C(=O)C2CCCC([NH+](C)C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029059131	0	54	0.0	-67.87	384.59	5.02	-62.85
C[C@H]1CN(C(=O)CC2CC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029059138	0	48	0.0	-70.47	358.38	3.95	-66.52
C[C@H]1CN(C(=O)CC2CC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029059138	1	48	0.0	-70.82	358.49	3.95	-66.87
C[C@H]1CN(C(=O)C2=C[NH+]=CC=C2N(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029059152	0	47	0.0	-69.76	364.07	2.12	-67.64
CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1)[NH+](C)C	REAL300029059158	0	47	0.0	-66.54	345.46	3.68	-62.86
C[C@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029059183	0	54	0.0	-71.14	375.99	4.86	-66.28
C[C@H]1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029059262	1	43	0.0	-69.64	346.65	5.75	-63.89
C[C@H]1CN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029059311	1	46	0.0	-71.81	368.64	4.11	-67.70
C[C@H]1CN(C(=O)CCCC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029059347	0	50	0.0	-70.22	381.32	4.72	-65.50
CC(C)C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1)[NH+](C)C	REAL300029059372	0	50	0.0	-65.34	350.90	3.80	-61.54
CCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029059374	0	50	0.0	-70.48	373.69	4.29	-66.19
CCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029059374	1	50	0.0	-70.90	377.55	4.54	-66.36
CCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029059381	0	47	0.0	-68.65	351.29	3.71	-64.94
CCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029059381	1	47	0.0	-68.65	351.29	3.71	-64.94
C[C@H]1CN(C(=O)C23CC[N@H+](C2)CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029059414	0	49	0.0	-69.88	342.31	3.07	-66.81
C[C@H]1CN(C(=O)C23CC[N@@H+](C2)CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029059414	1	49	0.0	-68.62	345.81	3.13	-65.49
C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029059490	0	45	0.0	-64.50	331.53	3.02	-61.48
C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029059490	1	45	0.0	-67.03	333.43	3.14	-63.89
CC1CC2CCC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)[C@@H](C)C3)C[N@@H+]2C1	REAL300029059521	0	55	0.0	-65.56	399.76	5.46	-60.10
CC1CC2CCC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)[C@@H](C)C3)C[N@H+]2C1	REAL300029059521	1	55	0.0	-63.80	391.28	5.56	-58.24
CCCCCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029059581	0	56	0.0	-69.92	415.79	6.05	-63.87
CCCCCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029059581	1	56	0.0	-69.88	415.78	6.05	-63.83
CC[NH+](CC)C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1)C(C)C	REAL300029059593	0	56	0.0	-62.78	391.30	5.34	-57.44
CC[NH+](CC)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029059606	0	47	0.0	-66.58	347.86	3.71	-62.87
CCC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)C1	REAL300029059639	0	54	0.0	-68.34	396.79	5.39	-62.95
CCC[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)C1	REAL300029059639	1	54	0.0	-73.82	397.20	5.46	-68.36
C[C@H]1CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029059652	0	58	0.0	-61.13	407.52	6.05	-55.08
C[C@H]1CN(C(=O)C2CCCC[N@H+]2C2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029059652	1	58	0.0	-63.12	405.26	6.18	-56.94
CC(C)[N@@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)C1	REAL300029059665	1	52	0.0	-69.45	379.33	3.66	-65.79
CC(C)[N@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)C1	REAL300029059665	1	52	0.0	-64.68	372.42	3.47	-61.21
CC1CC[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)CC1	REAL300029059709	0	51	0.0	-68.81	374.94	4.83	-63.98
C[C@H]1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029059743	1	46	0.0	-74.51	371.80	3.78	-70.73
C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029059753	0	52	0.0	-72.83	395.91	4.71	-68.12
C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029059773	0	48	0.0	-66.03	364.00	4.19	-61.84
CC1=[NH+]C=C2CCC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)[C@@H](C)C3)CN21	REAL300029059774	1	50	0.0	-67.31	381.59	5.14	-62.17
CC(C)[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)CC1	REAL300029059886	0	54	0.0	-75.03	387.44	4.98	-70.05
C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029059918	0	48	0.0	-70.92	359.03	4.10	-66.82
CC(C)[C@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1)[NH+](C)C	REAL300029059941	0	50	0.0	-65.76	350.30	3.90	-61.86
CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1)[NH+](CC)CC	REAL300029059981	0	53	0.0	-61.39	372.70	4.40	-56.99
CC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029060085	0	47	0.0	-70.20	356.05	3.80	-66.40
CC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029060085	1	47	0.0	-69.73	352.19	3.57	-66.16
CC1CCC[N@@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029060174	0	48	0.0	-65.32	354.66	3.92	-61.40
CC1CCC[N@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029060174	1	48	0.0	-65.32	354.67	3.95	-61.37
CC1CC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)C1	REAL300029060177	0	48	0.0	-67.69	357.40	4.06	-63.63
CC1CC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)C1	REAL300029060177	1	48	0.0	-68.17	361.31	4.29	-63.88
C[C@H]1CN(C(=O)C2(F)CC[N@@H+](C(C)(C)C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060178	0	54	0.0	-63.70	394.38	4.86	-58.84
C[C@H]1CN(C(=O)C2(F)CC[N@H+](C(C)(C)C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060178	1	54	0.0	-63.40	389.69	4.54	-58.86
CC1=[NH+]C=C2CC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)[C@@H](C)C3)CCN21	REAL300029060180	1	50	0.0	-70.19	382.80	5.22	-64.97
C[C@H]1CN(C(=O)C2=CC=C(CC[NH+](C)C)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060182	0	54	0.0	-79.26	416.68	6.68	-72.58
C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060184	0	51	0.0	-68.04	381.53	4.76	-63.28
C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060184	1	51	0.0	-67.70	377.34	4.48	-63.22
C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060185	0	53	0.0	-67.96	382.17	4.84	-63.12
C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060185	1	53	0.0	-67.92	382.17	4.84	-63.08
C[C@H]1CN(C(=O)C[N@H+](C)CCC2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060186	0	54	0.0	-73.01	411.20	6.73	-66.28
C[C@H]1CN(C(=O)C[N@@H+](C)CCC2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060186	1	54	0.0	-73.02	411.20	6.73	-66.29
CC[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1)[NH+](C)C	REAL300029060198	0	47	0.0	-65.29	339.87	3.21	-62.08
CC(COCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1)[NH+]1CCCC1	REAL300029060206	0	55	0.0	-66.13	410.83	5.20	-60.93
C[C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060323	0	55	0.0	-78.15	406.57	6.23	-71.92
C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060386	0	55	0.0	-72.80	409.86	6.31	-66.49
C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060386	1	55	0.0	-75.40	416.30	6.77	-68.63
C[C@H]1CN(C(=O)CC2(O)CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060497	0	52	0.0	-69.88	382.25	2.52	-67.36
COCC[N@@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029060506	0	55	0.0	-61.84	406.51	4.56	-57.28
COCC[N@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029060506	1	55	0.0	-68.28	403.93	3.49	-64.79
C[C@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060519	0	52	0.0	-72.08	389.66	1.84	-70.24
C[C@H]1CN(C(=O)C[NH+]2CCCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060523	0	51	0.0	-68.12	367.11	4.58	-63.54
C[C@H]1CN(C(=O)C[N+]2=CN(C)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060528	0	43	0.0	-66.19	343.29	5.80	-60.39
C[C@H]1CN(C(=O)C2CCC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060541	0	48	0.0	-71.36	355.85	3.89	-67.47
C[C@H]1CN(C(=O)C2CCC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060541	1	48	0.0	-74.68	353.58	3.70	-70.98
C[C@H]1CN(C(=O)C2CCC[N@@H+]2C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060546	0	49	0.0	-65.34	364.25	4.58	-60.76
C[C@H]1CN(C(=O)C2CCC[N@H+]2C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060546	1	49	0.0	-61.62	360.38	4.43	-57.19
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1)[NH+]1CCC1	REAL300029060587	1	45	0.0	-65.26	330.13	2.78	-62.48
CCC(CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1)C[NH+](C)C	REAL300029060599	0	53	0.0	-72.65	387.02	5.03	-67.62
C[C@H]1CN(C(=O)C(C)(C)C[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060608	0	50	0.0	-68.47	357.95	3.78	-64.69
C[C@H]1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060632	0	50	0.0	-61.18	368.67	4.68	-56.50
C[C@H]1CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060632	1	50	0.0	-62.78	364.97	4.49	-58.29
C[C@H]1CN(C(=O)C[NH+]2CCC(O)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060660	1	49	0.0	-72.45	368.86	1.05	-71.40
C[C@H]1CN(C(=O)C[N@H+](C)C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060662	0	45	0.0	-66.48	345.38	3.94	-62.54
C[C@H]1CN(C(=O)C[N@@H+](C)C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060662	1	45	0.0	-66.06	345.25	3.97	-62.09
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1)N1CC[NH+](C)CC1	REAL300029060663	1	53	0.0	-68.11	386.95	2.28	-65.83
C[C@H]1CN(C(=O)CC2C[NH+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060699	0	45	0.0	-69.71	347.42	3.42	-66.29
C[C@H]1CN(C(=O)C2CC[N@@H+]2C2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060703	0	52	0.0	-65.64	376.00	4.66	-60.98
C[C@H]1CN(C(=O)C2CC[N@H+]2C2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060703	1	52	0.0	-67.25	382.42	5.13	-62.12
C[C@H]1CN(C(=O)C2CC[N@@H+]2C(C)(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060712	0	51	0.0	-65.30	354.52	3.39	-61.91
C[C@H]1CN(C(=O)C2CC[N@H+]2C(C)(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060712	1	51	0.0	-64.36	376.68	4.31	-60.05
C[C@H]1CN(C(=O)C2CCN(C3=CC=[NH+]C=C3)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060725	0	51	0.0	-66.75	387.02	2.84	-63.91
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1)[NH+](C)C	REAL300029060729	0	44	0.0	-65.90	331.23	2.85	-63.05
CCC1CCC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)C1	REAL300029060788	0	54	0.0	-67.24	385.79	5.04	-62.20
CCC1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)C1	REAL300029060788	1	54	0.0	-68.90	396.97	5.65	-63.25
C[C@H]1CN(C(=O)C2=CC=C(C[NH+](C)C)N2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060798	0	49	0.0	-70.22	381.86	3.98	-66.24
C[C@H]1CN(C(=O)CC2CC3CCC(C2)[NH+]3C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060815	0	55	0.0	-67.59	377.60	4.73	-62.86
C[C@H]1CN(C(=O)CC(C2=CC=CC=C2)[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060822	0	54	0.0	-65.94	405.02	6.60	-59.34
C[C@H]1CN(C(=O)CN2C=CSC2=[NH2+])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060870	0	41	0.0	-64.18	339.26	2.55	-61.63
C[C@H]1CN(C(=O)CC[N@H+](C)CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060883	0	48	0.0	-70.09	366.41	0.58	-69.51
C[C@H]1CN(C(=O)CC[N@@H+](C)CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060883	1	48	0.0	-69.43	362.52	0.31	-69.12
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1)[NH+](C)C	REAL300029060884	0	44	0.0	-65.90	331.23	2.85	-63.05
C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060889	0	48	0.0	-63.43	351.32	3.78	-59.65
C[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060889	1	48	0.0	-66.37	345.25	3.67	-62.70
CC1CN2CC[N@H+]1CC2C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029060900	0	51	0.0	-70.47	359.50	0.77	-69.70
CC1CN2CC[N@@H+]1CC2C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029060900	1	51	0.0	-68.44	365.77	1.26	-67.18
COC1C[N@@H+]2CCCC2(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)C1	REAL300029060954	0	53	0.0	-68.49	384.29	2.62	-65.87
COC1C[N@H+]2CCCC2(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)C1	REAL300029060954	1	53	0.0	-62.15	381.56	2.56	-59.59
C[C@H]1CN(C(=O)CC2=CC3=C[NH+]=CN3C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060972	0	46	0.0	-68.33	366.61	6.60	-61.73
C[C@H]1CN(C(=O)C[N@H+](C)C2CCSC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061009	0	49	0.0	-73.88	376.76	4.76	-69.12
C[C@H]1CN(C(=O)C[N@@H+](C)C2CCSC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061009	1	49	0.0	-74.15	376.78	4.73	-69.42
C[C@H]1CN(C(=O)C[NH+]2CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061010	1	42	0.0	-68.59	322.17	2.71	-65.88
C[C@H]1CN(C(=O)C2=CC=NC(C[NH+](C)C)=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061054	1	50	0.0	-67.19	385.63	3.60	-63.59
C[C@H]1CN(C(=O)C=C2CC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061056	0	46	0.0	-71.95	354.05	4.21	-67.74
C[C@H]1CN(C(=O)C=C2CC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061056	1	46	0.0	-72.12	353.00	4.25	-67.87
C[C@H]1CN(C(=O)C2C[NH+](C3CCCCC3)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061087	0	55	0.0	-71.55	407.14	5.85	-65.70
C[C@H]1CN(C(=O)COCC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061108	0	48	0.0	-68.38	371.83	3.66	-64.72
CCCCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029061116	0	56	0.0	-71.81	420.54	6.10	-65.71
CCCCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029061116	1	56	0.0	-71.84	420.55	6.11	-65.73
C[C@H]1CN(C(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061128	0	52	0.0	-67.42	387.23	4.11	-63.31
C=CCC(C)(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1)[NH+](C)C	REAL300029061140	0	51	0.0	-71.12	354.69	3.73	-67.39
C[C@H]1CN(C(=O)C(O)CC[S+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061145	0	47	0.0	-75.98	377.72	2.12	-73.86
C[C@H]1CN(C(=O)C2(C)CC(O)C[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061188	0	49	0.0	-75.20	340.25	1.51	-73.69
C[C@H]1CN(C(=O)C2CN(C)CC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061203	0	53	0.0	-66.54	384.13	2.10	-64.44
C[C@H]1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061203	1	53	0.0	-66.54	384.13	2.10	-64.44
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1)[N@@H+]1CCCC(O)C1	REAL300029061204	0	52	0.0	-67.25	385.17	1.54	-65.71
C[C@H]1CN(C(=O)CC2(O)CCC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061233	0	52	0.0	-65.13	372.45	2.42	-62.71
C[C@H]1CN(C(=O)CC2(O)CCC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061233	1	52	0.0	-65.13	372.45	2.42	-62.71
CC1CN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)C1	REAL300029061237	0	45	0.0	-68.46	343.36	3.38	-65.08
CC1C[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)C1	REAL300029061237	1	45	0.0	-68.46	343.36	3.38	-65.08
C[C@H]1CN(C(=O)CN(C)CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061269	0	45	0.0	-69.15	340.14	-0.28	-69.43
C[C@H]1CN(C(=O)C[N@H+](C)CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061269	1	45	0.0	-68.30	340.12	-0.30	-68.60
C[C@H]1CN(C(=O)C[N@@H+](C)CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061269	1	45	0.0	-68.30	340.12	-0.30	-68.60
C[C@H]1CN(C(=O)C=C2CC3CCC(C2)[NH+]3C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061302	0	53	0.0	-68.72	384.25	5.26	-63.46
C[C@H]1CN(C(=O)C2C[N@@H+]3CCN2CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061307	0	51	0.0	-73.85	358.31	1.91	-71.94
C[C@H]1CN(C(=O)C2C[N@H+]3CCN2CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061307	1	51	0.0	-73.85	358.31	1.91	-71.94
CC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)C1	REAL300029061318	0	51	0.0	-64.12	366.05	4.65	-59.47
CC[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)C1	REAL300029061318	1	51	0.0	-64.12	366.05	4.65	-59.47
CC(CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1)C[NH+](C)C	REAL300029061320	0	50	0.0	-70.53	373.14	4.59	-65.94
CC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029061338	0	44	0.0	-68.36	329.79	2.95	-65.41
C[C@H]1CN(C(=O)C23CCC[N@@H+]2CCCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061370	0	52	0.0	-61.69	359.01	4.03	-57.66
C[C@H]1CN(C(=O)C23CCC[N@H+]2CCCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061370	1	52	0.0	-61.69	359.01	4.03	-57.66
C[C@H]1CN(C(=O)C23CCC[N@@H+]2CC=CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061380	0	50	0.0	-61.40	356.69	4.08	-57.32
C[C@H]1CN(C(=O)C23CCC[N@H+]2CC=CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061380	1	50	0.0	-61.40	356.69	4.08	-57.32
CC[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1)C1CC1	REAL300029061413	0	48	0.0	-65.54	358.06	4.39	-61.15
CC[NH+](CC)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029061438	0	50	0.0	-68.95	373.67	4.50	-64.45
C[C@H]1CN(C(=O)CN2CC(C)(C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061479	0	48	0.0	-68.46	362.58	3.94	-64.52
C[C@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061479	1	48	0.0	-68.46	362.58	3.94	-64.52
C[C@H]1CN(C(=O)CCCC[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061485	0	57	0.0	-68.74	419.10	6.35	-62.39
C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(O)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061523	0	49	0.0	-69.32	372.45	1.07	-68.25
C[C@H]1CN(C(=O)C=CC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061536	0	45	0.0	-72.28	348.26	3.64	-68.64
CC(OCC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029061567	0	51	0.0	-66.70	387.08	4.09	-62.61
C[C@H]1CN(C(=O)CCOCC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061580	0	51	0.0	-67.33	392.77	3.39	-63.94
COCCN(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029061581	0	48	0.0	-68.12	362.20	2.10	-66.02
COCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029061581	1	48	0.0	-69.30	362.39	2.12	-67.18
COCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029061581	1	48	0.0	-69.30	362.39	2.12	-67.18
COCCCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029061619	0	57	0.0	-74.63	432.72	4.40	-70.23
COCCCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029061619	1	57	0.0	-74.63	432.72	4.40	-70.23
C[C@H]1CN(C(=O)C2([NH+](C)C)CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061647	0	51	0.0	-65.83	351.57	3.91	-61.92
CC(CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1)[NH+](C)C	REAL300029061650	0	50	0.0	-71.34	369.56	4.41	-66.93
CCN1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029061661	0	45	0.0	-66.79	343.16	3.22	-63.57
CC[N@@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029061661	1	45	0.0	-65.59	335.05	3.00	-62.59
CC[N@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029061661	1	45	0.0	-65.59	335.05	3.00	-62.59
CC(C)[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)C1	REAL300029061677	0	54	0.0	-62.81	382.70	5.17	-57.64
CC(C)[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)C1	REAL300029061677	1	54	0.0	-62.81	382.70	5.17	-57.64
C[C@H]1CN(C(=O)C2CCN(C3=NC=CN3C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061678	0	52	0.0	-60.87	388.53	4.57	-56.30
C[C@H]1CN(C(=O)C2CCN(C3=[NH+]C=CN3C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061678	1	52	0.0	-60.87	388.53	4.57	-56.30
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1)[N@H+](C)CC1=CC=CC=C1	REAL300029061685	0	54	0.0	-66.98	408.45	6.44	-60.54
C[C@H]1CN(C(=O)C[N@@H+]2CCCC2CO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061694	0	49	0.0	-67.73	365.69	0.62	-67.11
C[C@H]1CN(C(=O)C2CC3CCCC[N@@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061727	0	52	0.0	-68.39	379.67	5.08	-63.31
C[C@H]1CN(C(=O)C2CC3CCCC[N@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061727	1	52	0.0	-68.39	379.67	5.08	-63.31
C[C@H]1CN(C(=O)C2(C)CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061738	0	51	0.0	-67.16	360.18	3.75	-63.41
C=CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1)[NH+](C)C	REAL300029061788	0	48	0.0	-64.23	353.01	3.68	-60.55
C[C@H]1CN(C(=O)C23CCC([NH+](C)C)(CC2)CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061801	0	58	0.0	-70.42	396.81	5.24	-65.18
C[C@H]1CN(C(=O)C2CC(C)(C)C[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061809	0	51	0.0	-64.05	374.27	4.26	-59.79
C[C@H]1CN(C(=O)C2CC(C)(C)C[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061809	1	51	0.0	-64.05	374.27	4.26	-59.79
C[C@H]1CN(C(=O)CCCCC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061814	0	53	0.0	-69.42	402.82	5.50	-63.92
CC1C[N@@H+](C2CCC2C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)CCO1	REAL300029061847	0	56	0.0	-63.06	406.72	4.51	-58.55
CC1C[N@H+](C2CCC2C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)CCO1	REAL300029061847	1	56	0.0	-64.44	401.40	4.53	-59.91
CC1C[N@H+]2CCN1C(C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C1)C2	REAL300029061875	0	51	0.0	-72.40	359.62	0.93	-71.47
CC1C[N@@H+]2CCN1C(C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C1)C2	REAL300029061875	1	51	0.0	-72.89	364.71	1.22	-71.67
CCCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1)[NH+](C)C	REAL300029061877	0	50	0.0	-67.56	368.11	4.42	-63.14
C[C@H]1CN(C(=O)C(C)(C)[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061883	0	47	0.0	-64.24	333.12	2.74	-61.50
CC[NH+](CC)CCSCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029061932	0	54	0.0	-70.37	414.11	5.65	-64.72
C[C@H]1CN(C(=O)C2CCCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061944	0	48	0.0	-66.31	349.05	3.83	-62.48
C[C@H]1CN(C(=O)C2CCCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061944	1	48	0.0	-66.45	345.23	3.68	-62.77
C[C@H]1CN(C(=O)CC2=CC[N@H+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062006	0	49	0.0	-68.41	375.19	4.88	-63.53
C[C@H]1CN(C(=O)CC2=CC[N@@H+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062006	1	49	0.0	-67.00	371.19	4.65	-62.35
C[C@H]1CN(C(=O)CC2([NH+]3CCCC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062019	0	52	0.0	-64.92	376.93	5.07	-59.85
C[C@H]1CN(C(=O)C2(C[NH+]3CCCC3)CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062046	0	58	0.0	-65.31	402.26	6.01	-59.30
C[C@H]1CN(C(=O)C(C)(C)C2CCC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062086	0	57	0.0	-70.55	400.97	5.17	-65.38
C[C@H]1CN(C(=O)C(C)(C)C2CCC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062086	1	57	0.0	-70.55	400.97	5.17	-65.38
C[C@H]1CN(C(=O)C2=CC=C(CN(C)C)O2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062091	0	48	0.0	-68.78	376.79	4.40	-64.38
C[C@H]1CN(C(=O)C2=CC=C(C[NH+](C)C)O2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062091	1	48	0.0	-68.78	376.79	4.40	-64.38
C[C@H]1CN(C(=O)C=CC[NH+]2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062118	0	49	0.0	-70.65	373.32	4.73	-65.92
C[C@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062150	0	52	0.0	-68.37	383.52	5.33	-63.04
C[C@H]1CN(C(=O)C2C[N@H+](C)CC2C(F)(F)F)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062175	0	48	0.0	-75.99	360.69	3.83	-72.16
C[C@H]1CN(C(=O)C2C[N@@H+](C)CC2C(F)(F)F)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062175	1	48	0.0	-75.99	360.69	3.83	-72.16
C[C@H]1CN(C(=O)CC[NH+]2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062181	0	48	0.0	-69.71	363.29	4.25	-65.46
C[C@H]1CN(C(=O)C2CC(=O)N(C3CN(C)C3)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062192	0	53	0.0	-74.42	393.50	2.84	-71.58
C[C@H]1CN(C(=O)C2CC(=O)N(C3C[NH+](C)C3)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062192	1	53	0.0	-74.42	393.50	2.84	-71.58
C[C@H]1CN(C(=O)C23CC(C2)C[N@@H+]3C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062254	0	46	0.0	-63.77	339.22	3.31	-60.46
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)C=NN1CC[NH+](C)C	REAL300029062270	0	54	0.0	-74.81	412.30	4.08	-70.73
C[C@H]1CN(C(=O)C[N@@H+]2CC3CCC2C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062273	0	49	0.0	-66.00	358.72	4.39	-61.61
C[C@H]1CN(C(=O)C[N@H+]2CC3CCC2C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062273	1	49	0.0	-66.00	358.72	4.39	-61.61
CC(C)[NH+]1CCC(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)CC1	REAL300029062290	0	57	0.0	-65.51	413.42	6.16	-59.35
C[C@H]1CN(C(=O)C=C2C[NH+]3CCC2CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062345	0	50	0.0	-66.46	367.40	4.80	-61.66
C[C@H]1CN(C(=O)CN2CC3C=CC2C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062358	0	47	0.0	-64.63	351.10	4.19	-60.44
C[C@H]1CN(C(=O)C[N@@H+]2CC3C=CC2C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062358	1	47	0.0	-66.15	351.26	4.24	-61.91
C[C@H]1CN(C(=O)C[N@H+]2CC3C=CC2C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062358	1	47	0.0	-66.15	351.26	4.24	-61.91
C[C@H]1CN(C(=O)C(C[NH+](C)C)C2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062401	0	54	0.0	-69.17	409.33	6.42	-62.75
CC(C[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029062435	0	47	0.0	-65.37	347.63	3.40	-61.97
C[C@H]1CN(C(=O)CC2CCCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062547	0	51	0.0	-69.81	370.87	4.55	-65.26
C[C@H]1CN(C(=O)CC2CCCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062547	1	51	0.0	-69.81	370.87	4.55	-65.26
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)[C@@H](C)C3)C=CN2C=N1	REAL300029062570	0	46	0.0	-68.51	365.08	6.36	-62.15
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)[C@@H](C)C3)C=CN2C=[NH+]1	REAL300029062570	1	46	0.0	-68.51	365.08	6.36	-62.15
CC1CCN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029062575	0	45	0.0	-65.91	337.89	3.10	-62.81
CC1CC[N@@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029062575	1	45	0.0	-67.59	347.59	3.74	-63.85
CC1CC[N@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029062575	1	45	0.0	-67.59	347.59	3.74	-63.85
C[C@H]1CN(C(=O)CC(O)C[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062580	0	48	0.0	-73.08	364.81	1.44	-71.64
CC1CN(C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)O1	REAL300029062621	0	49	0.0	-74.99	364.16	3.25	-71.74
CC1C[N@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)O1	REAL300029062621	1	49	0.0	-75.14	369.70	3.62	-71.52
CC1C[N@@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)O1	REAL300029062621	1	49	0.0	-75.14	369.70	3.62	-71.52
C[C@H]1CN(C(=O)CC[NH+]2CCC(O)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062635	0	52	0.0	-73.00	386.69	1.38	-71.62
CCC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029062638	0	54	0.0	-64.65	383.59	5.00	-59.65
CCC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029062638	1	54	0.0	-64.65	383.59	5.00	-59.65
CC[NH+]1CCN(CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)CC1	REAL300029062642	0	56	0.0	-70.44	409.55	2.86	-67.58
CCN1CC[NH+](CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)CC1	REAL300029062642	1	56	0.0	-70.44	409.55	2.86	-67.58
C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062645	0	55	0.0	-61.87	386.83	5.73	-56.14
C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062645	1	55	0.0	-61.87	386.83	5.73	-56.14
CC(C)C[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)CC1	REAL300029062699	0	57	0.0	-77.79	412.95	6.10	-71.69
C[C@H]1CN(C(=O)CN2CCC([NH+](C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062732	0	56	0.0	-68.90	405.69	2.98	-65.92
C[C@H]1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062757	0	48	0.0	-68.31	361.00	3.99	-64.32
CC(CC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029062767	0	50	0.0	-71.31	371.60	4.15	-67.16
C[C@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062805	0	52	0.0	-64.67	386.86	2.06	-62.61
C#CCN1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029062815	0	50	0.0	-65.05	366.75	4.54	-60.51
C#CC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029062815	1	50	0.0	-65.49	370.50	4.89	-60.60
C#CC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029062815	1	50	0.0	-65.49	370.50	4.89	-60.60
C[C@H]1CN(C(=O)CN2CCN(C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062823	0	50	0.0	-68.86	370.94	1.76	-67.10
C[C@H]1CN(C(=O)CN2CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062823	1	50	0.0	-68.86	370.94	1.76	-67.10
C[C@H]1CN(C(=O)CSC(N)=[NH2+])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062869	0	39	0.0	-69.06	320.72	-0.67	-69.73
CC[N@@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029062923	0	52	0.0	-70.04	379.63	2.92	-67.12
C[C@H]1CN(C(=O)C2(CC[NH+](C)C)CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062945	0	57	0.0	-66.95	403.56	5.29	-61.66
CC1CCCC(C)[NH+]1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029062947	0	57	0.0	-66.71	406.73	5.81	-60.90
C[C@H]1CN(C(=O)C2CCC([NH+](C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062950	0	54	0.0	-70.39	393.05	5.29	-65.10
C[C@H]1CN(C(=O)C2(CC[NH+](C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062951	0	51	0.0	-66.74	384.79	4.66	-62.08
C[C@H]1CN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062955	0	54	0.0	-67.68	384.62	5.07	-62.61
C[C@H]1CN(C(=O)CC2CC=CC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062956	0	49	0.0	-70.77	362.99	4.37	-66.40
C[C@H]1CN(C(=O)CC2CC=CC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062956	1	49	0.0	-70.77	362.99	4.37	-66.40
C[C@@H](OCC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1	REAL300029062993	0	51	0.0	-70.56	384.92	3.96	-66.60
C[C@H]1CN(C(=O)C2CC3CCC(C2)[NH+]3C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029063037	0	52	0.0	-66.94	361.32	4.38	-62.56
C[C@H]1CN(C(=O)C2(C3(O)CC[NH+](C)CC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029063165	0	56	0.0	-73.48	396.47	2.78	-70.70
C[C@H]1CN(C(=O)C2(CC[NH+]3CCCCC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029063194	0	58	0.0	-65.91	428.93	6.86	-59.05
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C)C1)[NH+]1CCSCC1	REAL300029063220	1	49	0.0	-67.36	368.50	4.19	-63.17
CCC1C[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)C1	REAL300029063223	0	48	0.0	-69.54	368.64	4.40	-65.14
C[C@H]1CN(C(=O)C2C[NH+](C3CCOCC3)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029063225	0	53	0.0	-72.71	394.73	3.21	-69.50
C[C@H]1CN(C(=O)C2([NH+]3CCCC3)CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029063227	0	52	0.0	-62.48	370.98	4.97	-57.51
C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029063239	1	45	0.0	-70.58	342.12	3.57	-67.01
C[C@H]1CN(C(=O)CC[N@H+]2CCC(F)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029063249	1	48	0.0	-75.39	369.28	4.34	-71.05
COC1C[N@@H+](C)C(C)(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)C1	REAL300029063260	1	52	0.0	-64.58	374.59	2.11	-62.47
C[C@H]1CN(C(=O)CC[NH+]2CCCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029063274	0	54	0.0	-70.83	386.11	4.96	-65.87
C[C@H]1CN(C(=O)C[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029063278	0	48	0.0	-68.33	357.75	4.40	-63.93
CC1C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)CC[N@@H+]1C	REAL300029063288	0	48	0.0	-67.60	356.53	3.82	-63.78
CC1C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)CC[N@H+]1C	REAL300029063288	1	48	0.0	-67.87	348.51	3.30	-64.57
C[C@H]1CN(C(=O)CCC2CCCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029063291	0	54	0.0	-67.91	396.90	5.50	-62.41
C[C@H]1CN(C(=O)CCC2CCCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029063291	1	54	0.0	-67.48	393.47	5.25	-62.23
C[C@H]1CN(C(=O)C2CC[N@@H+]3CCOCC23)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029063336	0	50	0.0	-66.29	364.04	2.66	-63.63
C[C@H]1CN(C(=O)C2CC[N@H+]3CCOCC23)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029063336	1	50	0.0	-70.87	371.33	2.66	-68.21
CC1=[NH+]C=C2C=CC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)[C@@H](C)C3)=CN21	REAL300029063345	0	46	0.0	-63.65	367.33	5.60	-58.05
C[C@H]1CN(C(=O)CC2COCCN2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029063368	0	49	0.0	-66.02	355.18	2.01	-64.01
C[C@H]1CN(C(=O)CC2COCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029063368	1	49	0.0	-65.59	355.51	2.10	-63.49
C[C@H]1CN(C(=O)CC2COCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029063368	1	49	0.0	-66.02	355.18	2.01	-64.01
CC1=C(C)[NH+]=C(CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)N1	REAL300029063382	1	49	0.0	-63.74	386.47	4.00	-59.74
C[C@H]1CN(C(=O)C2=CC=CC(CC[NH+](C)C)=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029063395	0	54	0.0	-71.29	414.39	6.55	-64.74
C[C@H]1CN(C(=O)C2CCN2CC2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029063400	0	52	0.0	-67.03	397.78	6.16	-60.87
C[C@H]1CN(C(=O)C2CC[N@@H+]2CC2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029063400	1	52	0.0	-66.54	396.93	6.03	-60.51
C[C@H]1CN(C(=O)C2CC[N@H+]2CC2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029063400	1	52	0.0	-67.03	397.78	6.16	-60.87
CC(C)C[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)C1	REAL300029063404	0	57	0.0	-67.22	407.76	6.41	-60.81
CC(C)C[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)C1	REAL300029063404	1	57	0.0	-63.57	407.28	6.28	-57.29
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@@H+]1C	REAL300029063563	0	45	0.0	-65.57	334.45	3.09	-62.48
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@H+]1C	REAL300029063563	1	45	0.0	-63.61	333.49	3.04	-60.57
CC1=[NH+]C=CN1CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029063758	1	49	0.0	-64.77	382.92	5.24	-59.53
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCC[NH+]1CCOCC1	REAL300029063762	1	55	0.0	-72.01	414.55	4.30	-67.71
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300029063766	0	51	0.0	-71.83	387.71	5.44	-66.39
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCOCC1	REAL300029063767	1	49	0.0	-72.64	371.55	2.72	-69.92
CCC[NH+](CCC)CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029063789	0	59	0.0	-69.28	438.80	6.92	-62.36
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300029063821	1	43	0.0	-68.81	341.35	5.46	-63.35
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCCC([NH+](C)C)C1	REAL300029063900	0	54	0.0	-72.60	390.96	5.22	-67.38
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC[N@H+](C)C1	REAL300029063907	0	48	0.0	-69.42	358.31	3.94	-65.48
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC[N@@H+](C)C1	REAL300029063907	1	48	0.0	-68.98	358.92	3.89	-65.09
CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)[NH+](C)C	REAL300029063924	0	47	0.0	-66.23	343.85	3.63	-62.60
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300029063934	1	46	0.0	-71.98	373.01	4.43	-67.55
CC1CC2CCC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C)C[N@@H+]2C1	REAL300029063984	0	55	0.0	-64.24	395.18	5.75	-58.49
CC1CC2CCC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C)C[N@H+]2C1	REAL300029063984	1	55	0.0	-64.31	395.00	5.81	-58.50
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCC[NH+](C)C	REAL300029064018	0	50	0.0	-70.00	381.64	4.85	-65.15
CCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029064041	0	50	0.0	-69.57	373.54	4.30	-65.27
CCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029064041	1	50	0.0	-69.57	373.51	4.30	-65.27
CCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029064046	0	47	0.0	-67.94	351.14	3.67	-64.27
CCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029064046	1	47	0.0	-67.90	351.17	3.68	-64.22
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C12CC[N@H+](C1)CCC2	REAL300029064071	0	49	0.0	-68.58	349.64	3.44	-65.14
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300029064071	1	49	0.0	-68.86	342.67	3.08	-65.78
CCCCCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029064115	0	56	0.0	-69.04	415.63	6.01	-63.03
CCCCCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029064115	1	56	0.0	-69.06	415.64	6.01	-63.05
CC1CC[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)CC1	REAL300029064168	0	51	0.0	-67.85	374.63	4.76	-63.09
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300029064196	1	46	0.0	-73.48	367.68	3.47	-70.01
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)COC1CC[NH+](C)CC1	REAL300029064204	0	52	0.0	-71.74	392.41	4.40	-67.34
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCCC[N@@H+]2C1	REAL300029064266	0	52	0.0	-67.09	379.72	5.06	-62.03
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCCC[N@H+]2C1	REAL300029064266	1	52	0.0	-66.06	376.22	4.82	-61.24
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1(C[NH+](C)C)CC1	REAL300029064285	0	48	0.0	-67.40	363.19	4.06	-63.34
CC1=[NH+]C=C2CCC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C)CN21	REAL300029064286	1	50	0.0	-62.16	384.04	5.23	-56.93
CC(C)[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)CC1	REAL300029064297	0	54	0.0	-66.73	383.76	4.66	-62.07
CC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029064332	0	47	0.0	-68.87	352.05	3.56	-65.31
CC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029064332	1	47	0.0	-68.86	352.01	3.56	-65.30
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300029064371	0	58	0.0	-67.76	414.39	6.15	-61.61
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300029064371	1	58	0.0	-68.56	419.12	6.34	-62.22
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[NH+]2CCC1CC2	REAL300029064388	0	49	0.0	-68.99	349.86	3.79	-65.20
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[NH+](C)CC1	REAL300029064479	0	48	0.0	-69.50	353.12	3.72	-65.78
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[NH+](CC2CC2)CC1	REAL300029064578	0	55	0.0	-69.43	399.70	5.66	-63.77
CC[NH+](CC)CC(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029064626	0	50	0.0	-73.54	372.46	4.19	-69.35
CC(C)C[N@@H+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029064662	0	54	0.0	-67.72	395.24	5.18	-62.54
CC(C)C[N@H+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029064662	1	54	0.0	-67.24	395.11	5.18	-62.06
CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)[NH+](CC)CC	REAL300029064695	0	53	0.0	-60.50	372.52	4.42	-56.08
CC1CCC[N@@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029064721	0	48	0.0	-64.92	354.99	4.05	-60.87
CC1CCC[N@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029064721	1	48	0.0	-64.81	357.05	4.05	-60.76
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029064819	1	52	0.0	-61.34	397.36	5.48	-55.86
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)[NH+]1CCCCCC1	REAL300029064823	0	54	0.0	-67.39	377.41	4.76	-62.63
CC(C)[N@@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029064857	0	51	0.0	-62.20	366.97	4.15	-58.05
CC(C)[N@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029064857	1	51	0.0	-62.19	366.88	4.26	-57.93
CC(C)[N@@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029064870	0	54	0.0	-61.53	387.38	4.77	-56.76
CC(C)[N@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029064870	1	54	0.0	-65.48	381.68	4.57	-60.91
CC1CC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029064927	0	48	0.0	-66.85	358.11	4.00	-62.85
CC1CC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029064927	1	48	0.0	-66.95	358.06	4.02	-62.93
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1(F)CC[N@@H+](C(C)(C)C)C1	REAL300029064928	0	54	0.0	-63.08	393.99	4.77	-58.31
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1(F)CC[N@H+](C(C)(C)C)C1	REAL300029064928	1	54	0.0	-62.79	389.23	4.43	-58.36
CC1=[NH+]C=C2CC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C)CCN21	REAL300029064929	1	50	0.0	-62.51	375.65	4.85	-57.66
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300029064931	0	54	0.0	-72.43	414.86	6.56	-65.87
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300029064933	0	51	0.0	-67.32	377.88	4.61	-62.71
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1	REAL300029064933	1	51	0.0	-71.63	377.15	4.58	-67.05
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)CC(C)(C)C	REAL300029064934	0	53	0.0	-67.09	382.25	4.86	-62.23
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C	REAL300029064934	1	53	0.0	-67.53	379.34	4.70	-62.83
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300029064935	0	54	0.0	-72.29	411.05	6.72	-65.57
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300029064935	1	54	0.0	-72.26	411.05	6.70	-65.56
CC[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)[NH+](C)C	REAL300029064944	0	47	0.0	-64.72	342.12	3.46	-61.26
CC(COCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)[NH+]1CCCC1	REAL300029064951	0	55	0.0	-64.78	410.49	4.93	-59.85
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCN(C)C1=CC=[NH+]C=C1	REAL300029065118	0	50	0.0	-63.84	386.64	4.00	-59.84
CC1=[NH+]C=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029065236	1	43	0.0	-64.88	345.48	4.17	-60.71
CC(C[NH+]1CCOCC1)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029065238	1	52	0.0	-69.49	380.28	2.82	-66.67
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC[NH+]1CCCCC1	REAL300029065256	0	54	0.0	-69.14	401.78	5.94	-63.20
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300029065276	1	47	0.0	-74.91	371.23	3.86	-71.05
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C=CC2=C[NH+]=CN21	REAL300029065278	0	46	0.0	-66.89	368.13	6.36	-60.53
CC(C)C1=[NH+]C=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029065338	1	49	0.0	-63.31	381.70	5.29	-58.02
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300029065393	0	52	0.0	-60.73	379.17	5.16	-55.57
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCCC2CCC[N@H+]21	REAL300029065393	1	52	0.0	-63.35	369.11	4.62	-58.73
CC[N@@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029065434	1	49	0.0	-71.99	367.02	3.50	-68.49
CC[N@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029065434	1	49	0.0	-71.10	363.54	3.05	-68.05
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300029065508	0	43	0.0	-67.27	339.74	5.50	-61.77
CC1=C[NH+]=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029065513	1	43	0.0	-67.18	345.81	4.90	-62.28
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300029065519	0	51	0.0	-73.54	394.60	3.46	-70.08
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300029065533	0	51	0.0	-71.50	397.99	4.49	-67.01
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)CC[N@@H+]1C	REAL300029065540	0	48	0.0	-69.99	347.81	3.26	-66.73
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)CC[N@H+]1C	REAL300029065540	1	48	0.0	-68.23	356.09	4.38	-63.85
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029065543	1	52	0.0	-61.61	397.87	5.53	-56.08
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)CC[N@@H+]1C	REAL300029065546	0	51	0.0	-67.95	367.66	3.85	-64.10
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)CC[N@H+]1C	REAL300029065546	1	51	0.0	-67.62	370.14	4.12	-63.50
CC1CCC(C)[NH+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029065569	0	51	0.0	-62.92	369.33	4.17	-58.75
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC[NH+]1CCCC1	REAL300029065579	0	51	0.0	-68.87	386.10	5.24	-63.63
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300029065580	0	51	0.0	-69.40	389.85	5.45	-63.95
C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)CC1	REAL300029065589	0	50	0.0	-70.85	378.27	4.91	-65.94
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCCCC1	REAL300029065590	0	51	0.0	-69.32	380.28	5.14	-64.18
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1C=[NH+]C2=C1CCCC2	REAL300029065612	1	50	0.0	-65.82	383.59	6.33	-59.49
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1(C[NH+](C)C)CCCCC1	REAL300029065647	0	57	0.0	-66.67	386.27	5.72	-60.95
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@H+](C)C1CCCCC1	REAL300029065651	0	57	0.0	-69.36	410.32	5.93	-63.43
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@@H+](C)C1CCCCC1	REAL300029065651	1	57	0.0	-69.43	410.33	5.94	-63.49
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1([NH+](C)C)CCCC1	REAL300029065654	0	54	0.0	-70.26	379.87	5.05	-65.21
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1	REAL300029065669	1	52	0.0	-72.18	395.12	3.67	-68.51
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NNC(C2CCC[N@H+]2C)=C1	REAL300029065669	1	52	0.0	-72.81	399.11	4.02	-68.79
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)C1CCC1	REAL300029065898	0	48	0.0	-65.84	358.15	4.27	-61.57
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)C1CCC1	REAL300029065898	1	48	0.0	-65.49	358.13	4.24	-61.25
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)[NH+]1C(C)CCC1C	REAL300029065932	0	54	0.0	-60.40	380.53	4.51	-55.89
CC[NH+](CC)CC1=CC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)O1	REAL300029065949	0	54	0.0	-67.06	409.00	5.55	-61.51
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCC[NH+]1CCCC1	REAL300029065954	0	54	0.0	-68.73	406.58	5.95	-62.78
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300029065957	1	51	0.0	-71.85	388.62	5.87	-65.98
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300029065957	1	51	0.0	-71.76	388.57	5.86	-65.90
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[NH+](C)CC1	REAL300029065973	0	48	0.0	-69.50	353.12	3.72	-65.78
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CCC[N@@H+]1C	REAL300029066034	0	45	0.0	-64.26	334.22	3.22	-61.04
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CCC[N@H+]1C	REAL300029066034	1	45	0.0	-66.79	334.87	3.08	-63.71
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1CCC[N@@H+]1C	REAL300029066063	0	51	0.0	-68.43	375.49	4.70	-63.73
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1CCC[N@H+]1C	REAL300029066063	1	51	0.0	-68.68	375.73	4.67	-64.01
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300029066080	0	52	0.0	-62.87	371.64	4.75	-58.12
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC2CCCC[N@H+]21	REAL300029066080	1	52	0.0	-63.36	375.83	5.12	-58.24
CCC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029066175	0	54	0.0	-69.75	398.45	5.53	-64.22
CCC[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029066175	1	54	0.0	-62.15	385.46	5.31	-56.84
CC(C)[N@@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029066192	1	52	0.0	-64.70	376.52	3.78	-60.92
CC(C)[N@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029066192	1	52	0.0	-69.42	383.39	3.93	-65.49
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCC(CO)CC1	REAL300029066279	0	52	0.0	-70.51	385.31	1.44	-69.07
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=C1CC2CCC(C1)[NH+]2C	REAL300029066327	0	53	0.0	-68.38	388.67	5.57	-62.81
CC1C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)CC[N@@H+]1C	REAL300029066346	0	48	0.0	-66.55	353.52	3.63	-62.92
CC1C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)CC[N@H+]1C	REAL300029066346	1	48	0.0	-67.27	356.18	3.70	-63.57
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1CCCC[N@@H+]1C	REAL300029066350	0	54	0.0	-69.85	389.89	5.32	-64.53
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1CCCC[N@H+]1C	REAL300029066350	1	54	0.0	-68.74	385.87	5.06	-63.68
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=C(CCC2)[NH+]=C1N	REAL300029066387	1	48	0.0	-57.59	368.39	3.07	-54.52
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300029066466	0	51	0.0	-63.24	373.26	3.98	-59.26
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@H+]1C(C)(C)C	REAL300029066466	1	51	0.0	-64.08	376.77	4.27	-59.81
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300029066486	0	51	0.0	-66.83	389.40	3.05	-63.78
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)[NH+](C)C	REAL300029066492	0	44	0.0	-66.19	332.45	3.05	-63.14
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=NC(C[NH+](C)C)=C1	REAL300029066513	1	50	0.0	-66.68	385.64	4.00	-62.68
C=CCC(C)(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)[NH+](C)C	REAL300029066519	0	51	0.0	-64.07	358.83	3.88	-60.19
CC[NH+](CC)CCSCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029066557	0	54	0.0	-68.56	413.79	5.64	-62.92
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C(N)C2=CC=CC=C2[NH+]=C1	REAL300029066558	1	47	0.0	-58.55	365.97	2.43	-56.12
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCCC1	REAL300029066563	0	48	0.0	-69.38	363.59	4.36	-65.02
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)CCO	REAL300029066572	1	45	0.0	-68.30	339.99	-0.30	-68.60
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)CCO	REAL300029066572	1	45	0.0	-67.47	340.04	-0.29	-67.76
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@@H+]2CCN1CCC2	REAL300029066615	0	51	0.0	-72.84	358.84	2.05	-70.79
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@H+]2CCN1CCC2	REAL300029066615	1	51	0.0	-70.96	357.47	1.46	-69.50
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)[NH+]1CCSCC1	REAL300029066654	1	49	0.0	-66.87	363.87	4.11	-62.76
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC[N@H+](C)CC1	REAL300029066703	0	49	0.0	-68.21	375.43	5.03	-63.18
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC[N@@H+](C)CC1	REAL300029066703	1	49	0.0	-66.92	375.42	5.02	-61.90
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC(=O)N(C2C[NH+](C)C2)C1	REAL300029066714	1	53	0.0	-69.94	401.08	3.24	-66.70
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(O)CC[S+](C)C	REAL300029066722	0	47	0.0	-68.01	371.75	1.57	-66.44
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CN(C)CC[N@H+](C)C1	REAL300029066770	0	53	0.0	-66.23	382.43	2.52	-63.71
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CN(C)CC[N@@H+](C)C1	REAL300029066770	1	53	0.0	-66.16	380.13	2.49	-63.67
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)[N@@H+]1CCCC(O)C1	REAL300029066771	0	52	0.0	-64.37	386.48	1.41	-62.96
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)[N@H+]1CCCC(O)C1	REAL300029066771	1	52	0.0	-63.55	379.42	1.42	-62.13
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1(O)CCC[N@H+](C)C1	REAL300029066815	0	52	0.0	-63.73	382.20	2.49	-61.24
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1(O)CCC[N@@H+](C)C1	REAL300029066815	1	52	0.0	-66.19	379.40	2.61	-63.58
CC1C[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029066821	1	45	0.0	-67.97	341.98	3.42	-64.55
CC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029066828	0	51	0.0	-67.01	375.73	4.73	-62.28
CC[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029066828	1	51	0.0	-72.34	374.43	4.69	-67.65
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC=C[NH+]=C1N	REAL300029066844	0	44	0.0	-65.32	350.29	2.39	-62.93
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@@H+]1C1CC1	REAL300029066856	0	49	0.0	-61.46	364.50	4.54	-56.92
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@H+]1C1CC1	REAL300029066856	1	49	0.0	-63.17	361.23	4.22	-58.95
CC1C[N@@H+](C2CCC2C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)CCO1	REAL300029066886	0	56	0.0	-66.54	408.78	4.20	-62.34
CC1C[N@H+](C2CCC2C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)CCO1	REAL300029066886	1	56	0.0	-64.48	403.93	4.50	-59.98
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C[NH+]2CCCC2)O1	REAL300029066907	0	52	0.0	-68.15	403.27	5.63	-62.52
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=CC[NH+]1CCCC1	REAL300029066914	0	49	0.0	-70.45	376.09	4.99	-65.46
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300029066945	0	52	0.0	-67.96	387.32	5.51	-62.45
CC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029066996	0	44	0.0	-67.51	329.65	2.93	-64.58
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1CC2C=CC1C2	REAL300029067070	0	47	0.0	-66.19	355.30	4.53	-61.66
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CC2C=CC1C2	REAL300029067070	1	47	0.0	-64.20	351.10	4.14	-60.06
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+]1CC2C=CC1C2	REAL300029067070	1	47	0.0	-64.20	351.10	4.14	-60.06
CC1=CC=C(NCCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)N=C1	REAL300029067094	0	50	0.0	-63.30	390.87	3.73	-59.57
CC1=CC=C(NCCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)[NH+]=C1	REAL300029067094	1	50	0.0	-63.30	390.87	3.73	-59.57
CC(OCC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029067251	0	51	0.0	-66.76	383.53	3.71	-63.05
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCOCC[NH+](C)C	REAL300029067264	0	51	0.0	-66.42	388.74	3.12	-63.30
COCCN(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029067266	0	48	0.0	-67.23	362.29	2.11	-65.12
COCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029067266	1	48	0.0	-68.46	362.25	2.10	-66.36
COCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029067266	1	48	0.0	-68.46	362.25	2.10	-66.36
CC(CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)[NH+](C)C	REAL300029067275	0	50	0.0	-67.40	369.26	4.06	-63.34
CC[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)C1CC1	REAL300029067317	0	48	0.0	-65.99	353.37	4.19	-61.80
CC1C[N@H+]2CCN1C(C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]1C)C2	REAL300029067328	0	51	0.0	-70.82	359.35	0.86	-69.96
CC1=NC(N)=CC=C1C=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029067378	0	48	0.0	-65.95	380.10	3.27	-62.68
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029067378	1	48	0.0	-65.95	380.10	3.27	-62.68
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C=NN1CC[NH+](C)C	REAL300029067384	0	54	0.0	-74.53	416.96	4.37	-70.16
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CC2CCC1C2	REAL300029067387	0	49	0.0	-65.52	360.11	4.49	-61.03
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+]1CC2CCC1C2	REAL300029067387	1	49	0.0	-65.52	360.11	4.49	-61.03
CC(C)[NH+]1CCC(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)CC1	REAL300029067406	0	57	0.0	-64.68	409.42	5.88	-58.80
CC(C[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029067421	0	47	0.0	-71.56	354.94	3.76	-67.80
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300029067434	0	48	0.0	-73.60	373.94	4.02	-69.58
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300029067434	1	48	0.0	-73.60	373.94	4.02	-69.58
CCN1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029067478	0	45	0.0	-65.73	343.21	3.26	-62.47
CC[N@@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029067478	1	45	0.0	-66.56	347.00	3.51	-63.05
CC[N@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029067478	1	45	0.0	-66.56	347.00	3.51	-63.05
CC(C)[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029067496	0	54	0.0	-65.41	392.98	5.26	-60.15
CC(C)[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029067496	1	54	0.0	-65.41	392.98	5.26	-60.15
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCN(C2=NC=CN2C)C1	REAL300029067498	0	52	0.0	-60.64	394.00	4.86	-55.78
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCN(C2=[NH+]C=CN2C)C1	REAL300029067498	1	52	0.0	-60.64	394.00	4.86	-55.78
CCC(C)(C)[NH2+]C(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029067520	0	53	0.0	-64.29	379.69	3.09	-61.20
C#CCN1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029067577	0	50	0.0	-64.60	366.63	4.60	-60.00
C#CC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029067577	1	50	0.0	-62.88	376.89	5.00	-57.88
C#CC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029067577	1	50	0.0	-62.88	376.89	5.00	-57.88
CNC1=NC(C)=CC=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029067580	0	47	0.0	-59.70	369.30	3.22	-56.48
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029067580	1	47	0.0	-59.70	369.30	3.22	-56.48
CCCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)[NH+](C)C	REAL300029067597	0	50	0.0	-65.77	366.42	4.34	-61.43
CC(CC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029067632	0	50	0.0	-68.72	368.75	3.94	-64.78
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300029067694	0	55	0.0	-61.23	383.69	5.52	-55.71
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300029067694	1	55	0.0	-61.23	383.69	5.52	-55.71
COCCCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029067777	0	57	0.0	-73.28	428.72	4.15	-69.13
COCCCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029067777	1	57	0.0	-73.28	428.72	4.15	-69.13
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C12CCC([NH+](C)C)(CC1)CC2	REAL300029067783	0	58	0.0	-70.23	396.83	5.24	-64.99
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300029067790	0	51	0.0	-64.60	370.82	4.07	-60.53
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC(C)(C)C[N@H+]1C	REAL300029067790	1	51	0.0	-64.60	370.82	4.07	-60.53
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCCC[NH+](C)C	REAL300029067796	0	53	0.0	-69.29	403.14	5.62	-63.67
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCC(O)CC1	REAL300029067802	0	52	0.0	-72.57	387.10	1.42	-71.15
CCC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029067807	0	54	0.0	-64.67	388.37	5.22	-59.45
CCC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029067807	1	54	0.0	-64.67	388.37	5.22	-59.45
CC[NH+]1CCN(CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)CC1	REAL300029067816	0	56	0.0	-70.66	413.72	3.23	-67.43
CCN1CC[NH+](CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)CC1	REAL300029067816	1	56	0.0	-70.66	413.72	3.23	-67.43
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1CCN(C)CC1	REAL300029067820	0	50	0.0	-68.67	375.29	2.16	-66.51
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1CC[NH+](C)CC1	REAL300029067820	1	50	0.0	-68.67	375.29	2.16	-66.51
CC(C)C[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)CC1	REAL300029067961	0	57	0.0	-68.87	409.53	5.80	-63.07
CC1C[N@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)O1	REAL300029067965	1	49	0.0	-73.73	369.98	3.52	-70.21
CC1C[N@@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)O1	REAL300029067965	1	49	0.0	-74.09	362.71	3.10	-70.99
CCC1CCC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029068007	0	54	0.0	-67.75	386.09	5.37	-62.38
CCC1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029068007	1	54	0.0	-68.41	396.93	5.67	-62.74
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C[NH+](C)C)N1	REAL300029068018	0	49	0.0	-69.41	376.35	3.90	-65.51
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CC2CC2C1	REAL300029068041	0	46	0.0	-68.31	351.41	4.44	-63.87
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1([NH+]2CCCC2)CC1	REAL300029068063	0	52	0.0	-64.28	378.06	5.07	-59.21
CC([NH2+]C1(CO)CCCC1)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029068083	0	55	0.0	-66.25	391.97	0.15	-66.10
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCCC[N@@H+]1C	REAL300029068118	0	48	0.0	-65.40	341.34	3.49	-61.91
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCCC[N@H+]1C	REAL300029068118	1	48	0.0	-65.12	344.56	3.49	-61.63
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300029068125	1	52	0.0	-66.15	399.21	6.32	-59.83
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@H+]1CC1=CC=CC=C1	REAL300029068125	1	52	0.0	-69.79	402.64	6.27	-63.52
CC(C)C[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029068132	0	57	0.0	-69.07	415.09	6.19	-62.88
CC(C)C[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029068132	1	57	0.0	-63.05	401.56	5.96	-57.09
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1CCC([NH+](C)C)CC1	REAL300029068198	0	56	0.0	-68.68	409.30	3.28	-65.40
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=C1CC[N@H+](C)C1	REAL300029068274	0	46	0.0	-71.35	348.90	3.89	-67.46
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=C1CC[N@@H+](C)C1	REAL300029068274	1	46	0.0	-71.74	354.06	4.20	-67.54
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CNC1=CC=[NH+]C=C1	REAL300029068282	0	44	0.0	-66.78	351.76	1.81	-64.97
CC[NH+]1CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)CC1	REAL300029068350	0	53	0.0	-67.45	393.03	2.84	-64.61
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=C1C[NH+]2CCC1CC2	REAL300029068353	0	50	0.0	-65.93	367.21	4.68	-61.25
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300029068416	0	52	0.0	-65.33	382.82	1.66	-63.67
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O	REAL300029068416	1	52	0.0	-65.29	382.94	1.47	-63.82
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[NH+](C2CCOCC2)C1	REAL300029068425	0	53	0.0	-73.40	398.60	3.58	-69.82
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@@H]1CCC[N@@H+]1C	REAL300029068442	0	45	0.0	-65.70	334.73	3.21	-62.49
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@@H]1CCC[N@H+]1C	REAL300029068442	1	45	0.0	-64.13	334.32	3.13	-61.00
CCN1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029068482	0	52	0.0	-71.19	383.69	3.09	-68.10
CC[N@@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029068482	1	52	0.0	-69.85	379.40	2.93	-66.92
CC[N@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029068482	1	52	0.0	-69.85	379.40	2.93	-66.92
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)NC2=C1CCC[NH2+]2	REAL300029068489	0	49	0.0	-82.68	379.62	1.71	-80.97
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[NH+](C2CCCCC2)C1	REAL300029068512	0	55	0.0	-70.95	407.32	5.87	-65.08
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C2NC(N)=NC2=C1	REAL300029068594	0	45	0.0	-64.41	355.85	3.22	-61.19
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C2NC(N)=[NH+]C2=C1	REAL300029068594	1	45	0.0	-64.41	355.85	3.22	-61.19
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300029068647	0	48	0.0	-69.02	365.02	4.28	-64.74
CC1CCCC(C)[NH+]1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029068662	0	57	0.0	-66.27	406.79	5.80	-60.47
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC([NH+](C)C)CC1	REAL300029068665	0	54	0.0	-63.66	380.50	4.69	-58.97
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300029068669	0	54	0.0	-67.37	382.86	5.00	-62.37
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC=CC[N@@H+]1C	REAL300029068670	0	49	0.0	-70.78	367.06	4.67	-66.11
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC=CC[N@H+]1C	REAL300029068670	1	49	0.0	-63.06	362.44	4.72	-58.34
CC1=CC(C=CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)=C[NH+]=C1N	REAL300029068741	1	48	0.0	-66.49	375.97	3.27	-63.22
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)COCC[NH+](C)C	REAL300029068757	0	48	0.0	-66.76	367.75	3.25	-63.51
CCCCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029068765	0	56	0.0	-70.50	416.51	5.87	-64.63
CCCCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029068765	1	56	0.0	-70.53	416.55	5.86	-64.67
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300029068779	0	52	0.0	-67.89	385.17	4.19	-63.70
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1C=CSC1=[NH2+]	REAL300029068806	0	41	0.0	-63.73	343.11	2.72	-61.01
C[C@@H](OCC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029068905	0	51	0.0	-66.30	387.15	4.09	-62.21
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1(C2(O)CC[NH+](C)CC2)CC1	REAL300029068909	0	56	0.0	-68.20	403.10	2.64	-65.56
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCCCCC1	REAL300029068985	0	54	0.0	-70.96	390.30	5.34	-65.62
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@H+](C)C1	REAL300029068993	0	48	0.0	-62.76	346.92	4.01	-58.75
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@@H+](C)C1	REAL300029068993	1	48	0.0	-62.76	346.92	4.01	-58.75
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCCCCC1	REAL300029069001	0	51	0.0	-66.90	363.03	4.33	-62.57
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N+]1=CN(C)C=C1	REAL300029069008	0	43	0.0	-66.01	347.51	6.17	-59.84
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(CN(C)C)O1	REAL300029069029	0	48	0.0	-68.71	377.90	4.51	-64.20
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300029069029	1	48	0.0	-68.71	377.90	4.51	-64.20
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)C1CC1	REAL300029069062	0	45	0.0	-65.14	341.74	3.76	-61.38
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)N1CCN(C)CC1	REAL300029069064	0	53	0.0	-67.56	385.93	2.15	-65.41
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)N1CC[NH+](C)CC1	REAL300029069064	1	53	0.0	-67.56	385.93	2.15	-65.41
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@@H+]1CCC(F)C1	REAL300029069072	0	48	0.0	-72.38	366.08	4.14	-68.24
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300029069106	0	54	0.0	-70.13	412.35	6.29	-63.84
CC(CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)C[NH+](C)C	REAL300029069112	0	50	0.0	-69.07	369.10	4.33	-64.74
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@@H+]2CCOCC12	REAL300029069137	0	50	0.0	-70.20	367.68	2.52	-67.68
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@H+]2CCOCC12	REAL300029069137	1	50	0.0	-70.20	367.68	2.52	-67.68
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1COCCN1C	REAL300029069171	0	49	0.0	-66.18	359.06	2.27	-63.91
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1COCC[N@@H+]1C	REAL300029069171	1	49	0.0	-65.28	359.09	2.27	-63.01
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1COCC[N@H+]1C	REAL300029069171	1	49	0.0	-65.28	359.09	2.27	-63.01
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(C[NH+](C)C)C1=CC=CC=C1	REAL300029069180	0	54	0.0	-66.81	411.42	6.62	-60.19
CC1=CC(N)=NC=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029069251	0	44	0.0	-64.87	347.97	1.91	-62.96
CC1=CC(N)=[NH+]C=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029069251	1	44	0.0	-64.87	347.97	1.91	-62.96
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300029069315	0	49	0.0	-67.24	367.87	0.67	-66.57
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=NN1CC[NH+](C)C	REAL300029069325	0	51	0.0	-66.29	392.48	3.87	-62.42
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1C[NH+](C)C1	REAL300029069361	0	45	0.0	-69.56	347.30	3.42	-66.14
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@@H+]1C1CCCC1	REAL300029069367	0	52	0.0	-66.13	382.26	5.05	-61.08
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@H+]1C1CCCC1	REAL300029069367	1	52	0.0	-66.13	382.26	5.05	-61.08
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@H+](C)CCO	REAL300029069422	0	48	0.0	-68.46	362.28	0.32	-68.14
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@@H+](C)CCO	REAL300029069422	1	48	0.0	-68.46	362.28	0.32	-68.14
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CCCC[N@@H+]1C	REAL300029069445	0	51	0.0	-70.20	374.74	4.86	-65.34
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CCCC[N@H+]1C	REAL300029069445	1	51	0.0	-70.20	374.74	4.86	-65.34
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C)C=CN2C=N1	REAL300029069473	0	46	0.0	-67.38	361.86	6.10	-61.28
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C)C=CN2C=[NH+]1	REAL300029069473	1	46	0.0	-67.38	361.86	6.10	-61.28
CC1CCN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029069479	0	45	0.0	-66.42	343.33	3.34	-63.08
CC1CC[N@@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029069479	1	45	0.0	-66.89	347.24	3.61	-63.28
CC1CC[N@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029069479	1	45	0.0	-66.89	347.24	3.61	-63.28
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=CC[NH+](C)C	REAL300029069495	0	45	0.0	-71.64	352.33	3.86	-67.78
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1CC(C)(C)C1	REAL300029069512	0	48	0.0	-67.55	362.52	3.90	-63.65
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CC(C)(C)C1	REAL300029069512	1	48	0.0	-67.55	362.52	3.90	-63.65
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCC[NH+]1CCCCC1	REAL300029069527	0	57	0.0	-68.77	423.28	6.72	-62.05
CC1=C(C)NC(CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)=N1	REAL300029069542	0	49	0.0	-62.38	382.15	3.63	-58.75
CC1=C(C)[NH+]=C(CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)N1	REAL300029069542	1	49	0.0	-62.38	382.15	3.63	-58.75
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=C(CN(C)CC2)S1	REAL300029069543	0	49	0.0	-71.26	386.83	5.30	-65.96
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=C(C[N@H+](C)CC2)S1	REAL300029069543	1	49	0.0	-69.99	382.40	4.92	-65.07
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=C(C[N@@H+](C)CC2)S1	REAL300029069543	1	49	0.0	-69.99	382.40	4.92	-65.07
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1(C2CC[NH+](C)CC2)CC1	REAL300029069554	0	55	0.0	-66.57	398.22	5.69	-60.88
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C)C=CN2C=N1	REAL300029069564	0	46	0.0	-67.38	361.86	6.10	-61.28
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C)C=CN2C=[NH+]1	REAL300029069564	1	46	0.0	-67.38	361.86	6.10	-61.28
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CSCC[NH+](C)C	REAL300029069578	0	48	0.0	-70.91	378.81	4.29	-66.62
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)[N@H+](C)CC1=CC=CC=C1	REAL300029069598	0	54	0.0	-67.16	404.66	6.23	-60.93
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=C(CCCC2)N=C1N	REAL300029069602	0	51	0.0	-58.22	387.56	4.02	-54.20
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=C(CCCC2)[NH+]=C1N	REAL300029069602	1	51	0.0	-58.22	387.56	4.02	-54.20
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CCCC1CO	REAL300029069610	0	49	0.0	-66.51	361.59	0.35	-66.16
CC[NH+](CC)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029069613	0	47	0.0	-66.65	352.19	4.00	-62.65
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)C1CCSC1	REAL300029069630	0	49	0.0	-72.82	371.39	4.49	-68.33
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1CCC1	REAL300029069632	0	42	0.0	-68.56	326.32	3.02	-65.54
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCC1	REAL300029069632	1	42	0.0	-68.56	326.32	3.02	-65.54
CC[NH+](CC)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029069682	0	50	0.0	-69.14	369.95	4.32	-64.82
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2COCC[N@@H+]2C1	REAL300029069784	0	50	0.0	-69.35	371.88	2.71	-66.64
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2COCC[N@H+]2C1	REAL300029069784	1	50	0.0	-69.35	371.88	2.71	-66.64
CCC(CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)C[NH+](C)C	REAL300029069815	0	53	0.0	-69.47	382.84	4.85	-64.62
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC(C1=CC=CC=C1)[NH+](C)C	REAL300029069861	0	54	0.0	-72.13	401.27	6.34	-65.79
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CCCC[N@@H+]1C	REAL300029069897	0	48	0.0	-64.02	356.32	4.13	-59.89
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CCCC[N@H+]1C	REAL300029069897	1	48	0.0	-65.10	344.56	3.49	-61.61
CC1CN2CC[N@H+]1CC2C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029069912	0	51	0.0	-69.40	358.55	0.82	-68.58
CC1CN2CC[N@@H+]1CC2C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029069912	1	51	0.0	-69.78	365.24	1.25	-68.53
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC(O)C[NH+](C)C	REAL300029069942	0	48	0.0	-71.74	364.57	1.21	-70.53
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCC(C1)[NH+]2C	REAL300029069945	0	52	0.0	-66.42	355.90	3.98	-62.44
C#CC1(O)CC[NH+](C(C)C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)CC1	REAL300029069985	0	54	0.0	-65.32	403.29	2.06	-63.26
C=CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)[NH+](C)C	REAL300029069997	0	48	0.0	-63.49	351.36	3.62	-59.87
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCCC[N@@H+]2C1	REAL300029070010	0	52	0.0	-67.09	379.72	5.06	-62.03
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCCC[N@H+]2C1	REAL300029070010	1	52	0.0	-66.06	376.22	4.82	-61.24
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1(O)CC[NH+](C)CC1	REAL300029070029	0	52	0.0	-70.34	386.89	3.06	-67.28
COCC[N@@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029070047	0	55	0.0	-61.12	406.82	4.42	-56.70
COCC[N@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029070047	1	55	0.0	-66.09	411.01	3.86	-62.23
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC2CCC(C1)[NH+]2C	REAL300029070057	0	55	0.0	-67.98	382.11	5.18	-62.80
C[C@H]1CN(C(=O)C2=CC=NN2CC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029070099	0	51	0.0	-65.75	390.81	3.51	-62.24
C[C@H]1CN(C(=O)C2=CC3=C(C[N@H+](C)CC3)S2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029070141	1	49	0.0	-70.94	382.23	4.91	-66.03
C[C@H]1CN(C(=O)C2=CC3=C(C[N@@H+](C)CC3)S2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029070141	1	49	0.0	-71.41	386.44	5.26	-66.15
C[C@H]1CN(C(=O)C2(C3CC[NH+](C)CC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029070153	0	55	0.0	-69.55	400.89	5.45	-64.10
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)[C@@H](C)C3)C=CN2C=[NH+]1	REAL300029070166	1	46	0.0	-68.51	365.08	6.36	-62.15
C[C@H]1CN(C(=O)CSCC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029070181	0	48	0.0	-72.18	382.86	4.56	-67.62
C[C@H]1CN(C(=O)C2CC3COCC[N@@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029070193	0	50	0.0	-70.00	370.53	2.67	-67.33
C[C@H]1CN(C(=O)C2CC3COCC[N@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029070193	1	50	0.0	-69.89	371.36	2.84	-67.05
C[N@@H+]1CCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029070359	0	53	0.0	-79.39	393.53	2.97	-76.42
C[N@H+]1CCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029070359	1	53	0.0	-74.88	394.68	3.02	-71.86
C[N@@H+]1CCOC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)OC(C)(C)C2)C1	REAL300029070383	1	54	0.0	-81.23	401.37	2.52	-78.71
C[N@H+]1CCOC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)OC(C)(C)C2)C1	REAL300029070383	1	54	0.0	-67.17	400.88	2.60	-64.57
CC1=[NH+]C=CN1CC(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029070523	1	51	0.0	-72.87	402.54	4.06	-68.81
C[C@@H]1[C@H](C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)OC(C)(C)C2)CC[N@@H+]1C	REAL300029070543	0	56	0.0	-79.87	405.25	3.30	-76.57
C[C@@H]1[C@H](C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)OC(C)(C)C2)CC[N@H+]1C	REAL300029070543	1	56	0.0	-81.29	411.83	3.54	-77.75
C[NH+](C)C1(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)OC(C)(C)C2)CCC1	REAL300029070564	0	56	0.0	-80.95	394.49	3.19	-77.76
CC(C)[C@@H](C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1)[NH+](C)C	REAL300029070566	0	58	0.0	-75.66	413.15	3.69	-71.97
C[N@H+](CC(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1)C1CCC1	REAL300029070577	0	56	0.0	-73.13	422.24	4.47	-68.66
C[N@@H+](CC(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1)C1CCC1	REAL300029070577	1	56	0.0	-78.58	420.44	4.49	-74.09
C[NH+]1CCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)OC(C)(C)C2)CC1	REAL300029070604	0	56	0.0	-82.42	414.72	3.87	-78.55
C[N@@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029070611	0	56	0.0	-68.64	404.80	3.57	-65.07
C[N@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029070611	1	56	0.0	-72.56	403.32	3.55	-69.01
CC1=C[NH+]=CN1CC(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029070629	1	51	0.0	-74.26	405.89	4.83	-69.43
C[N@@H+]1CCC(CC(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)OC(C)(C)C2)C1	REAL300029070639	0	56	0.0	-78.08	421.78	4.12	-73.96
C[N@H+]1CCC(CC(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)OC(C)(C)C2)C1	REAL300029070639	1	56	0.0	-80.64	420.92	4.17	-76.47
CCC(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1)[NH+](C)C	REAL300029070642	0	55	0.0	-66.16	403.49	3.40	-62.76
C[NH+](C)CCCCC(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029070657	0	58	0.0	-77.67	439.55	4.68	-72.99
CC(C)C(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1)[NH+](C)C	REAL300029070662	0	58	0.0	-74.00	418.81	4.01	-69.99
CCC[N@H+](C)CCC(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029070663	0	58	0.0	-79.62	437.12	4.50	-75.12
CCC[N@@H+](C)CCC(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029070663	1	58	0.0	-79.57	437.74	4.51	-75.06
CCC[N@H+](C)CC(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029070664	0	55	0.0	-77.20	413.37	3.88	-73.32
CCC[N@@H+](C)CC(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029070664	1	55	0.0	-76.91	413.41	3.89	-73.02
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029070679	0	53	0.0	-76.87	392.76	3.01	-73.86
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029070679	1	53	0.0	-77.19	399.72	3.35	-73.84
CC[NH+](CC)CC(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029070691	0	55	0.0	-74.80	405.41	3.58	-71.22
C[NH+](C)CC1(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)OC(C)(C)C2)CC1	REAL300029070746	0	56	0.0	-70.33	417.66	3.97	-66.36
C[NH+]1CCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)OC(C)(C)C2)CC1	REAL300029070772	0	56	0.0	-82.42	414.72	3.87	-78.55
CC(C)[C@H](C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1)[NH+](C)C	REAL300029070787	0	58	0.0	-77.63	418.72	4.12	-73.51
CC[N@H+](C)CCC(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029070822	0	55	0.0	-74.94	415.54	3.73	-71.21
CC[N@@H+](C)CCC(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029070822	1	55	0.0	-74.99	415.54	3.74	-71.25
CC1CCC[N@@H+]1CC(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029070833	0	56	0.0	-73.14	412.82	3.85	-69.29
CC1CCC[N@H+]1CC(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029070833	1	56	0.0	-73.06	421.30	4.25	-68.81
CC1CC[N@H+](CC(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)OC(C)(C)C2)C1	REAL300029070834	0	56	0.0	-79.76	420.02	4.11	-75.65
CC1CC[N@@H+](CC(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)OC(C)(C)C2)C1	REAL300029070834	1	56	0.0	-75.07	422.19	4.23	-70.84
CC[C@@H](C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1)[NH+](C)C	REAL300029070837	0	55	0.0	-71.89	400.54	3.34	-68.55
C[NH+](C)CC(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029070876	0	49	0.0	-77.42	374.19	2.50	-74.92
CN1C=C[N+](CC(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)OC(C)(C)C2)=C1	REAL300029070877	0	51	0.0	-72.63	407.37	6.00	-66.63
C[N@@H+]1CCCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)OC(C)(C)C2)C1	REAL300029070880	0	56	0.0	-81.26	415.57	3.88	-77.38
C[N@H+]1CCCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)OC(C)(C)C2)C1	REAL300029070880	1	56	0.0	-71.30	408.87	4.11	-67.19
CC(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1)[NH+]1CCC1	REAL300029070888	1	53	0.0	-79.52	392.63	2.96	-76.56
C[NH+](C)CC(C)(C)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029070891	0	58	0.0	-64.68	408.03	3.51	-61.17
C[N@H+](CC(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1)C1CC1	REAL300029070898	0	53	0.0	-67.83	404.71	3.86	-63.97
C[N@@H+](CC(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1)C1CC1	REAL300029070898	1	53	0.0	-69.40	404.85	3.86	-65.54
C[NH+]1CC(CC(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)OC(C)(C)C2)C1	REAL300029070909	0	53	0.0	-75.85	405.48	3.38	-72.47
C[C@@H](C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1)[NH+](C)C	REAL300029070922	0	52	0.0	-72.77	389.58	2.80	-69.97
C[N@H+](CCO)CCC(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029070962	0	56	0.0	-73.93	425.90	0.51	-73.42
C[N@@H+](CCO)CCC(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029070962	1	56	0.0	-74.03	425.85	0.50	-73.53
C[C@@H](C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1)[NH+](C)C	REAL300029070963	0	52	0.0	-72.77	389.58	2.80	-69.97
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029070966	0	56	0.0	-77.87	406.45	3.75	-74.12
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029070966	1	56	0.0	-73.68	409.33	3.91	-69.77
C[N@@H+]1CCC(=CC(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)OC(C)(C)C2)C1	REAL300029071003	0	54	0.0	-80.06	410.88	4.09	-75.97
C[N@H+]1CCC(=CC(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)OC(C)(C)C2)C1	REAL300029071003	1	54	0.0	-63.87	412.18	4.07	-59.80
C[NH+](C)CCOCC(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029071013	0	56	0.0	-76.31	430.06	3.63	-72.68
C[C@H](C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1)[NH+](C)C	REAL300029071024	0	52	0.0	-78.20	386.36	2.66	-75.54
CC1C[NH+](CC(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)OC(C)(C)C2)C1	REAL300029071041	1	53	0.0	-77.41	404.15	3.61	-73.80
C[N@H+](CCO)CC(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029071054	1	53	0.0	-76.77	402.27	-0.09	-76.86
C[N@@H+](CCO)CC(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029071054	1	53	0.0	-77.45	402.21	-0.08	-77.53
CC(CC(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1)C[NH+](C)C	REAL300029071066	0	58	0.0	-77.92	431.22	4.56	-73.36
CC[N@H+](C)CC(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029071068	0	52	0.0	-76.71	391.87	3.13	-73.58
CC[N@@H+](C)CC(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029071068	1	52	0.0	-76.55	391.92	3.15	-73.40
CC[N@H+](CC(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1)C1CC1	REAL300029071078	0	56	0.0	-67.85	424.50	4.50	-63.35
CC[N@@H+](CC(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1)C1CC1	REAL300029071078	1	56	0.0	-71.74	416.81	4.36	-67.38
CC[NH+](CC)CCC(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029071084	0	58	0.0	-77.00	432.15	4.48	-72.52
C[NH+](C)CC=CC(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029071100	0	53	0.0	-54.93	410.37	3.68	-51.25
COCC[N@H+](C)CC(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029071109	1	56	0.0	-77.52	424.46	2.33	-75.19
COCC[N@@H+](C)CC(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029071109	1	56	0.0	-77.08	424.52	2.31	-74.77
CC(CCC(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1)[NH+](C)C	REAL300029071119	0	58	0.0	-75.88	431.27	4.29	-71.59
CC[N@@H+]1CCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029071124	1	53	0.0	-75.93	405.34	3.39	-72.54
CC[N@H+]1CCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029071124	1	53	0.0	-72.36	406.52	3.43	-68.93
C=CCC(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1)[NH+](C)C	REAL300029071149	0	56	0.0	-68.76	412.34	3.73	-65.03
CC1(C)CN(C(=O)C[NH+]2CC3CC3C2)CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029071157	0	54	0.0	-80.60	409.67	4.38	-76.22
CCCC(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1)[NH+](C)C	REAL300029071166	0	58	0.0	-73.27	420.67	4.08	-69.19
C[NH+](C)C(C)(C)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029071168	0	55	0.0	-59.62	392.26	3.22	-56.40
C[N@@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029071179	0	56	0.0	-68.64	404.80	3.57	-65.07
C[N@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029071179	1	56	0.0	-72.56	403.32	3.55	-69.01
C[NH+](C)C1(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)OC(C)(C)C2)CC1	REAL300029071217	0	53	0.0	-78.68	393.05	2.97	-75.71
CC1(C)CN(C(=O)CC[NH+]2CCCC2)CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029071218	0	56	0.0	-74.94	422.20	4.13	-70.81
C[N@@H+]1CC2CC1(C(=O)N1CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)OC(C)(C)C1)C2	REAL300029071229	0	54	0.0	-77.96	399.59	3.42	-74.54
C[N@H+]1CC2CC1(C(=O)N1CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)OC(C)(C)C1)C2	REAL300029071229	1	54	0.0	-79.09	402.32	3.59	-75.50
CC(C[NH+](C)C)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029071265	0	55	0.0	-52.23	413.08	3.54	-48.69
CC(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1)[NH+]1CC(C)C1	REAL300029071288	1	56	0.0	-77.27	419.30	3.91	-73.36
CC1CC[N@@H+]1CC(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029071289	1	53	0.0	-79.30	405.98	3.51	-75.79
CC1CC[N@H+]1CC(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029071289	1	53	0.0	-78.03	400.43	3.25	-74.78
C[NH+](C)CC(O)CC(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029071291	0	56	0.0	-80.86	426.70	1.54	-79.32
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)OC(C)(C)C2)C1	REAL300029071321	0	56	0.0	-78.06	419.88	4.02	-74.04
CC(CC[NH+](C)C)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029071322	0	58	0.0	-54.23	434.73	4.18	-50.05
CC1(C)CN(C(=O)CSC(N)=[NH2+])CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029071343	0	47	0.0	-76.55	383.98	-0.58	-77.13
CCC1C[NH+](CC(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)OC(C)(C)C2)C1	REAL300029071405	1	56	0.0	-78.00	426.59	4.28	-73.72
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029071409	0	53	0.0	-72.84	396.98	3.36	-69.48
C[N@H+]1CCC[C@H]1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)OC(C)(C)C1	REAL300029071409	1	53	0.0	-73.31	390.70	2.95	-70.36
CC1(C)CN(C(=O)C[NH+]2CCCCC2)CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029071416	0	56	0.0	-76.63	415.93	4.35	-72.28
CC1C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)OC(C)(C)C2)CC[N@@H+]1C	REAL300029071420	0	56	0.0	-78.88	411.65	3.56	-75.32
CC1C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)OC(C)(C)C2)CC[N@H+]1C	REAL300029071420	1	56	0.0	-76.90	411.57	3.54	-73.36
C[N@@H+]1CCCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029071600	0	53	0.0	-47.80	399.51	3.40	-44.40
C[N@H+]1CCCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029071600	1	53	0.0	-61.25	391.94	3.02	-58.23
C[N@@H+]1CCOC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O3)C1	REAL300029071626	1	54	0.0	-57.03	399.56	2.62	-54.41
C[N@H+]1CCOC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O3)C1	REAL300029071626	1	54	0.0	-73.36	399.76	2.61	-70.75
C[N@@H+]1CCC(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O3)C1	REAL300029071777	0	56	0.0	-57.01	421.05	3.93	-53.08
C[N@H+]1CCC(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O3)C1	REAL300029071777	1	56	0.0	-68.64	421.53	4.12	-64.52
CCC(C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2)[NH+](C)C	REAL300029071780	0	55	0.0	-59.05	401.14	3.41	-55.64
C[NH+](C)CCCCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029071791	0	58	0.0	-67.26	438.71	4.65	-62.61
CC(C)C(C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2)[NH+](C)C	REAL300029071797	0	58	0.0	-60.07	417.46	4.03	-56.04
CCC[N@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029071798	0	58	0.0	-64.61	434.94	4.47	-60.14
CCC[N@@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029071798	1	58	0.0	-64.33	434.92	4.46	-59.87
CCC[N@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029071799	0	55	0.0	-50.18	413.88	3.91	-46.27
CCC[N@@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029071799	1	55	0.0	-49.65	413.89	3.91	-45.74
C[NH+](C)CC1(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O3)CC1	REAL300029071838	0	56	0.0	-67.29	411.41	3.92	-63.37
CC[N@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029071845	0	55	0.0	-67.26	415.29	3.72	-63.54
CC[N@@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029071845	1	55	0.0	-67.20	415.30	3.71	-63.49
C[NH+]1CCC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O3)CC1	REAL300029071871	0	56	0.0	-62.21	416.60	3.94	-58.27
CC(C)[C@H](C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2)[NH+](C)C	REAL300029071886	0	58	0.0	-53.22	409.58	4.31	-48.91
C[NH+](C)C1(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O3)CCC1	REAL300029071914	0	56	0.0	-71.23	404.46	3.85	-67.38
CC1CCC[N@@H+]1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029071939	0	56	0.0	-63.40	412.42	3.82	-59.58
CC1CCC[N@H+]1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029071939	1	56	0.0	-63.43	412.47	3.82	-59.61
CC(C)[C@@H](C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2)[NH+](C)C	REAL300029071953	0	58	0.0	-41.89	416.95	4.03	-37.86
CC1CC[N@H+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O3)C1	REAL300029071961	0	56	0.0	-66.26	418.91	4.19	-62.07
CC1CC[N@@H+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O3)C1	REAL300029071961	1	56	0.0	-59.45	418.59	4.18	-55.27
CC[C@@H](C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2)[NH+](C)C	REAL300029071964	0	55	0.0	-43.24	406.34	3.66	-39.58
CC1=[NH+]C=CN1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029072006	1	51	0.0	-51.46	404.05	4.10	-47.36
CC1=C[NH+]=CN1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029072025	1	51	0.0	-47.68	404.41	4.84	-42.84
C[C@@H]1[C@H](C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O3)CC[N@@H+]1C	REAL300029072026	0	56	0.0	-73.03	411.79	3.74	-69.29
C[C@@H]1[C@H](C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O3)CC[N@H+]1C	REAL300029072026	1	56	0.0	-70.87	415.53	3.59	-67.28
C[N@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2)C1CCC1	REAL300029072059	0	56	0.0	-50.27	420.75	4.47	-45.80
C[N@@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2)C1CCC1	REAL300029072059	1	56	0.0	-47.50	420.89	4.48	-43.02
C[NH+]1CCC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O3)CC1	REAL300029072066	0	56	0.0	-62.21	416.60	3.94	-58.27
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029072079	0	53	0.0	-67.75	392.48	2.85	-64.90
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029072079	1	53	0.0	-48.69	390.57	3.44	-45.25
C[N@@H+]1CCCCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029072123	0	56	0.0	-56.29	415.58	3.94	-52.35
C[N@H+]1CCCCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029072123	1	56	0.0	-64.28	415.87	3.94	-60.34
CC1C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O3)CC[N@@H+]1C	REAL300029072152	0	56	0.0	-69.84	410.34	3.54	-66.30
CC1C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O3)CC[N@H+]1C	REAL300029072152	1	56	0.0	-58.31	411.10	3.85	-54.46
C[C@@H](C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2)[NH+](C)C	REAL300029072194	0	52	0.0	-46.09	392.13	2.91	-43.18
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC2(CN(C(=O)CC[NH+]3CCCC3)C2)O1	REAL300029072212	0	56	0.0	-52.10	422.98	4.23	-47.87
C[N@H+](CCO)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029072217	1	53	0.0	-48.71	402.74	-0.08	-48.79
C[N@@H+](CCO)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029072217	1	53	0.0	-50.65	402.39	-0.05	-50.70
CC1C[NH+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O3)C1	REAL300029072268	1	53	0.0	-63.33	406.50	3.60	-59.73
CC[N@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029072303	0	52	0.0	-49.95	392.38	3.17	-46.78
CC[N@@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029072303	1	52	0.0	-49.54	392.39	3.17	-46.37
COCC[N@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029072356	1	56	0.0	-61.68	425.20	2.38	-59.30
COCC[N@@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029072356	1	56	0.0	-48.39	424.99	2.33	-46.06
CC(CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2)[NH+](C)C	REAL300029072358	0	58	0.0	-64.65	430.35	4.25	-60.40
CC[N@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2)C1CC1	REAL300029072363	0	56	0.0	-57.12	421.94	4.53	-52.59
CC[N@@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2)C1CC1	REAL300029072363	1	56	0.0	-59.60	419.58	4.16	-55.44
C[N@@H+]1CC2CC1(C(=O)N1CC3(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O3)C2	REAL300029072376	0	54	0.0	-75.56	402.64	3.58	-71.98
C[N@H+]1CC2CC1(C(=O)N1CC3(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O3)C2	REAL300029072376	1	54	0.0	-70.54	397.01	3.67	-66.87
CC(C[NH+](C)C)C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029072385	0	55	0.0	-56.89	413.54	3.64	-53.25
C[NH+](C)C1(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O3)CC1	REAL300029072391	0	53	0.0	-59.01	394.04	3.37	-55.64
C[C@H](C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2)[NH+](C)C	REAL300029072402	0	52	0.0	-52.00	388.69	2.80	-49.20
CC[N@@H+]1CCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029072405	1	53	0.0	-66.09	394.89	3.15	-62.94
CC[N@H+]1CCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029072405	1	53	0.0	-59.31	396.66	3.12	-56.19
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC2(CN(C(=O)C3=C[NH+]=CC=C3N)C2)O1	REAL300029072421	0	49	0.0	-57.47	381.96	0.55	-56.92
CCCC(C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2)[NH+](C)C	REAL300029072425	0	58	0.0	-60.84	424.55	4.26	-56.58
C[NH+](C)C(C)(C)C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029072428	0	55	0.0	-67.99	397.40	3.38	-64.61
CC(CC[NH+](C)C)C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029072437	0	58	0.0	-63.18	434.77	4.30	-58.88
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC2(CN(C(=O)C[NH+]3CC4CC4C3)C2)O1	REAL300029072500	0	54	0.0	-60.15	408.71	4.39	-55.76
C[N@@H+]1CCCCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029072511	0	56	0.0	-56.29	415.58	3.94	-52.35
C[N@H+]1CCCCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029072511	1	56	0.0	-64.28	415.87	3.94	-60.34
C[N@@H+]1CCC(=CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O3)C1	REAL300029072539	0	54	0.0	-72.61	411.98	3.93	-68.68
C[N@H+]1CCC(=CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O3)C1	REAL300029072539	1	54	0.0	-74.26	411.46	4.03	-70.23
CCC1C[NH+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O3)C1	REAL300029072563	1	56	0.0	-50.44	427.32	4.33	-46.11
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029072568	0	53	0.0	-61.37	397.10	3.41	-57.96
C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029072568	1	53	0.0	-41.90	393.42	3.01	-38.89
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O3)C1	REAL300029072612	0	56	0.0	-69.15	423.44	4.19	-64.96
C[NH+](C)CCOCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029072630	0	56	0.0	-63.45	429.14	3.63	-59.82
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC2(CN(C(=O)C[NH+]3CCCCC3)C2)O1	REAL300029072665	0	56	0.0	-49.55	416.39	4.35	-45.20
C[N@@H+]1CCCC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O3)C1	REAL300029072666	0	56	0.0	-71.88	419.79	3.93	-67.95
C[N@H+]1CCCC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O3)C1	REAL300029072666	1	56	0.0	-61.33	409.71	4.06	-57.27
CN1C=C[N+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O3)=C1	REAL300029072667	0	51	0.0	-64.93	404.99	5.98	-58.95
C[N@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2)C1CC1	REAL300029072677	0	53	0.0	-49.20	403.94	3.90	-45.30
C[N@@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2)C1CC1	REAL300029072677	1	53	0.0	-58.66	402.77	3.91	-54.75
CC(CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2)C[NH+](C)C	REAL300029072685	0	58	0.0	-71.84	430.94	4.48	-67.36
C[NH+]1CC(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O3)C1	REAL300029072736	0	53	0.0	-49.10	405.54	3.20	-45.90
C[NH+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029072743	0	49	0.0	-61.71	373.35	2.50	-59.21
C[N@H+](CCO)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029072753	0	56	0.0	-63.39	423.79	0.51	-62.88
C[N@@H+](CCO)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029072753	1	56	0.0	-64.08	423.78	0.50	-63.58
C[C@@H](C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2)[NH+](C)C	REAL300029072754	0	52	0.0	-46.09	392.13	2.91	-43.18
CC(C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2)[NH+]1CC(C)C1	REAL300029072768	1	56	0.0	-64.71	420.02	3.85	-60.86
CC1CC[N@@H+]1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029072769	1	53	0.0	-65.06	400.12	3.34	-61.72
CC1CC[N@H+]1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029072769	1	53	0.0	-60.19	404.63	3.57	-56.62
C[NH+](C)CC=CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029072771	0	53	0.0	-69.31	410.32	3.72	-65.59
CC1(C)C[NH+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O3)C1	REAL300029072775	1	56	0.0	-50.38	425.03	4.07	-46.31
CC[NH+](CC)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029072792	0	55	0.0	-58.88	408.72	3.87	-55.01
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC2(CN(C(=O)C[NH+]3CCC3)C2)O1	REAL300029072797	1	50	0.0	-63.43	385.26	2.93	-60.50
CC[NH+](CC)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029072817	0	58	0.0	-63.09	426.92	4.14	-58.95
CC(C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2)[NH+]1CCC1	REAL300029072848	1	53	0.0	-58.73	402.06	3.45	-55.28
C[NH+](C)CC(C)(C)C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029072852	0	58	0.0	-69.51	415.77	3.71	-65.80
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029072873	0	56	0.0	-59.32	405.06	3.58	-55.74
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029072873	1	56	0.0	-64.47	414.91	3.93	-60.54
C[NH+](C)CC(O)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2	REAL300029072883	0	56	0.0	-75.09	426.36	1.53	-73.56
C=CCC(C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC(C)(C)O2)[NH+](C)C	REAL300029072895	0	56	0.0	-58.46	416.17	4.00	-54.46
CC(C)[C@H]1CN(C(=O)C2CCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029073095	0	51	0.0	-64.31	367.45	4.25	-60.06
CC(C)[C@H]1CN(C(=O)C2CCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029073095	1	51	0.0	-66.30	361.95	3.96	-62.34
CC(C)[C@H]1CN(C(=O)C2C[N@H+](C)CCO2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029073119	1	52	0.0	-68.98	367.58	3.20	-65.78
CC(C)[C@H]1CN(C(=O)C2C[N@@H+](C)CCO2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029073119	1	52	0.0	-67.59	368.49	3.27	-64.32
CC(C)[C@H]1CN(C(=O)C(C)[NH+]2CCCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029073280	0	60	0.0	-63.13	410.47	5.53	-57.60
CC(C)[C@H]1CN(C(=O)C2CCCC[N@@H+]2C(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029073282	0	60	0.0	-60.42	413.44	5.61	-54.81
CC(C)[C@H]1CN(C(=O)C2CCCC[N@H+]2C(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029073282	1	60	0.0	-61.66	404.52	5.36	-56.30
CC(C)[C@H]1CN(C(=O)C2CCC[N@@H+]2C(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029073303	0	57	0.0	-64.04	389.76	5.28	-58.76
CC(C)[C@H]1CN(C(=O)C2CCC[N@H+]2C(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029073303	1	57	0.0	-63.66	391.78	5.46	-58.20
CC(C)[C@H]1CN(C(=O)C2CC3CCCC[N@@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029073319	0	58	0.0	-65.95	406.89	5.71	-60.24
CC(C)[C@H]1CN(C(=O)C2CC3CCCC[N@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029073319	1	58	0.0	-67.45	406.47	6.02	-61.43
CC(C)C1=[NH+]C=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1	REAL300029073340	1	55	0.0	-63.23	408.53	6.22	-57.01
CC1=[NH+]C=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1	REAL300029073370	1	49	0.0	-64.33	371.11	4.76	-59.57
CC(C)[C@H]1CN(C(=O)C(C)C[NH+]2CCOCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029073371	0	58	0.0	-66.23	410.55	3.71	-62.52
CC(C)[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029073387	0	60	0.0	-68.77	428.04	6.48	-62.29
CC(C)[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029073405	0	60	0.0	-67.60	402.45	5.45	-62.15
CC(C)[C@H]1CN(C(=O)C2C[NH+]3CCC2CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029073413	0	55	0.0	-70.56	380.12	4.98	-65.58
CC(C)[C@H]1CN(C(=O)C2CCCC3CCC[N@@H+]32)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029073454	0	58	0.0	-67.03	404.88	5.92	-61.11
CC(C)[C@H]1CN(C(=O)C2CCCC3CCC[N@H+]32)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029073454	1	58	0.0	-60.75	406.74	5.80	-54.95
CC(C)[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029073468	0	54	0.0	-69.11	373.36	4.47	-64.64
CC(C)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029073468	1	54	0.0	-69.07	384.39	4.60	-64.47
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C(C)C)C2)CC[N@@H+]1C	REAL300029073472	0	57	0.0	-68.76	399.33	4.81	-63.95
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C(C)C)C2)CC[N@H+]1C	REAL300029073472	1	57	0.0	-66.87	397.75	5.39	-61.48
CC[N@@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C(C)C)C2)C1	REAL300029073482	1	55	0.0	-71.24	393.21	4.11	-67.13
CC[N@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C(C)C)C2)C1	REAL300029073482	1	55	0.0	-81.95	394.09	4.09	-77.86
CC[NH+](CC)CC(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1	REAL300029073523	0	56	0.0	-73.15	400.81	5.13	-68.02
CC(C)[C@H]1CN(C(=O)C[NH+]2C(C)CCC2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029073586	0	57	0.0	-63.38	398.61	5.02	-58.36
CC(C)[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029073592	0	57	0.0	-68.54	410.75	5.67	-62.87
C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C(C)C)C2)CC1	REAL300029073597	0	56	0.0	-71.84	411.49	5.90	-65.94
CC(C)[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029073598	0	57	0.0	-68.88	406.54	5.68	-63.20
CC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1	REAL300029073604	0	57	0.0	-64.16	392.36	5.09	-59.07
CC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1	REAL300029073604	1	57	0.0	-62.39	401.01	5.63	-56.76
CC(C)C[N@@H+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C(C)C)C2)C1	REAL300029073618	0	60	0.0	-67.46	423.36	6.19	-61.27
CC(C)C[N@H+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C(C)C)C2)C1	REAL300029073618	1	60	0.0	-75.02	423.08	5.94	-69.08
CC(C)[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029073622	0	54	0.0	-65.96	365.90	4.22	-61.74
CC(C)[C@H]1CN(C(=O)CC2CCC[N@@H+]2C(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029073624	0	60	0.0	-61.66	412.95	5.46	-56.20
CC(C)[C@H]1CN(C(=O)CC2CCC[N@H+]2C(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029073624	1	60	0.0	-61.83	413.14	5.34	-56.49
CC(C)[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1)[NH+](C)C	REAL300029073637	0	56	0.0	-66.04	383.57	4.67	-61.37
CC(C)[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029073678	0	54	0.0	-66.03	387.91	5.14	-60.89
CC(C)[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029073678	1	54	0.0	-66.34	388.89	5.48	-60.86
CC(C)[C@H]1CN(C(=O)C(C)[NH+]2C(C)CCC2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029073737	0	60	0.0	-62.59	400.37	4.90	-57.69
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1	REAL300029073796	1	53	0.0	-64.46	387.28	4.92	-59.54
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1	REAL300029073796	1	53	0.0	-64.50	390.52	5.26	-59.24
CC(C)[C@H]1CN(C(=O)CCC2CCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029073802	0	57	0.0	-69.43	405.37	5.54	-63.89
CC(C)[C@H]1CN(C(=O)CCC2CCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029073802	1	57	0.0	-68.02	404.45	5.50	-62.52
CC(C)[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029073811	0	58	0.0	-70.24	389.15	4.88	-65.36
CC(C)[C@H]1CN(C(=O)C2CCC3CCCC[N@@H+]32)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029073814	0	58	0.0	-61.60	406.39	5.94	-55.66
CC(C)[C@H]1CN(C(=O)C2CCC3CCCC[N@H+]32)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029073814	1	58	0.0	-61.86	407.04	6.03	-55.83
CC(C)[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029073830	0	60	0.0	-68.28	432.03	6.42	-61.86
CC(C)[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029073841	0	54	0.0	-70.28	386.49	4.74	-65.54
CC(C)[C@H]1CN(C(=O)C2=NOC(C[NH+](C)C)=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029073876	1	53	0.0	-75.01	397.13	4.41	-70.60
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C(C)C)C2)C=CC2=C[NH+]=CN21	REAL300029073877	0	52	0.0	-66.66	393.16	6.80	-59.86
CC(C)[C@H]1CN(C(=O)C2CCCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029073908	0	54	0.0	-63.68	382.33	4.74	-58.94
CC(C)[C@H]1CN(C(=O)C2CCCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029073908	1	54	0.0	-63.65	380.46	4.65	-59.00
CC(C)C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1	REAL300029073930	0	60	0.0	-63.83	423.93	6.49	-57.34
CC(C)C[N@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1	REAL300029073930	1	60	0.0	-64.44	405.40	6.22	-58.22
CC(C)[C@H]1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074030	0	49	0.0	-67.84	369.57	6.23	-61.61
CC1=[NH+]C=CN1CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1	REAL300029074038	1	55	0.0	-65.56	413.48	6.16	-59.40
CC(C)[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074043	1	55	0.0	-72.42	397.85	3.31	-69.11
CC1=C[NH+]=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1	REAL300029074073	1	49	0.0	-67.43	370.55	5.45	-61.98
CC(C)[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074112	0	55	0.0	-61.71	379.42	4.46	-57.25
CC(C)[C@H]1CN(C(=O)C2CCCC([NH+](C)C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074136	0	60	0.0	-69.88	420.23	5.86	-64.02
CC(C)[C@H]1CN(C(=O)CC2CC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074139	0	54	0.0	-69.85	388.23	4.81	-65.04
CC(C)[C@H]1CN(C(=O)CC2CC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074139	1	54	0.0	-69.70	388.66	4.77	-64.93
CC(C)[C@H]1CN(C(=O)C2=C[NH+]=CC=C2N(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074151	0	53	0.0	-69.00	396.02	2.95	-66.05
CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1)[NH+](C)C	REAL300029074156	0	53	0.0	-65.14	369.44	4.06	-61.08
CC(C)[C@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074168	0	60	0.0	-70.13	406.65	5.98	-64.15
CC(C)[C@H]1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074209	1	49	0.0	-76.82	376.82	6.50	-70.32
CC(C)[C@H]1CN(C(=O)CCCC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074263	0	56	0.0	-69.77	407.94	5.43	-64.34
CC(C)C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1)[NH+](C)C	REAL300029074283	0	56	0.0	-65.26	381.58	4.84	-60.42
CCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1	REAL300029074285	0	56	0.0	-70.09	403.33	5.14	-64.95
CCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1	REAL300029074285	1	56	0.0	-70.08	403.32	5.14	-64.94
CCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1	REAL300029074290	0	53	0.0	-68.94	382.33	4.79	-64.15
CCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1	REAL300029074290	1	53	0.0	-68.84	382.04	4.89	-63.95
CC(C)[C@H]1CN(C(=O)C23CC[N@H+](C2)CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074313	0	55	0.0	-68.87	372.81	3.80	-65.07
CC(C)[C@H]1CN(C(=O)C23CC[N@@H+](C2)CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074313	1	55	0.0	-68.56	376.48	4.13	-64.43
CC(C)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074349	0	51	0.0	-64.27	366.91	4.06	-60.21
CC(C)[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074349	1	51	0.0	-66.27	361.69	3.80	-62.47
CCCCCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1	REAL300029074406	0	62	0.0	-70.09	446.82	7.13	-62.96
CCCCCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1	REAL300029074406	1	62	0.0	-69.66	445.40	6.89	-62.77
CC[NH+](CC)C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1)C(C)C	REAL300029074410	0	62	0.0	-60.36	422.20	5.73	-54.63
CC[NH+](CC)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1	REAL300029074419	0	53	0.0	-66.50	373.70	4.21	-62.29
CCC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C(C)C)C2)C1	REAL300029074451	0	60	0.0	-62.67	416.15	6.10	-56.57
CCC[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C(C)C)C2)C1	REAL300029074451	1	60	0.0	-64.84	418.21	6.22	-58.62
CC(C)[C@H]1CN(C(=O)C2C[N@@H+](C(C)C)CCO2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074466	1	58	0.0	-69.83	409.13	4.69	-65.14
CC(C)[C@H]1CN(C(=O)C2C[N@H+](C(C)C)CCO2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074466	1	58	0.0	-72.34	402.99	4.48	-67.86
CC(C)[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074495	0	57	0.0	-68.64	405.18	5.72	-62.92
CC(C)[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074521	0	58	0.0	-72.36	421.79	5.32	-67.04
CC(C)[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074532	0	54	0.0	-67.43	390.40	4.81	-62.62
CC(C)[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074605	0	60	0.0	-67.64	417.14	5.68	-61.96
CC(C)[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074623	0	54	0.0	-70.28	386.49	4.74	-65.54
CC(C)[C@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1)[NH+](C)C	REAL300029074641	0	56	0.0	-65.72	382.40	4.85	-60.87
CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1)[NH+](CC)CC	REAL300029074672	0	59	0.0	-64.41	405.56	5.64	-58.77
CC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1	REAL300029074728	0	53	0.0	-69.43	381.83	4.41	-65.02
CC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1	REAL300029074728	1	53	0.0	-69.67	382.68	4.53	-65.14
CC(C)[C@H]1CN(C(=O)C[N@@H+]2CCCC2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074784	0	54	0.0	-64.88	381.32	4.63	-60.25
CC(C)[C@H]1CN(C(=O)C[N@H+]2CCCC2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074784	1	54	0.0	-64.63	380.49	4.52	-60.11
CC(C)[C@H]1CN(C(=O)C[N@@H+]2CCC(C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074786	0	54	0.0	-67.48	387.57	4.92	-62.56
CC(C)[C@H]1CN(C(=O)C[N@H+]2CCC(C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074786	1	54	0.0	-67.45	387.76	4.83	-62.62
CC(C)[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074790	0	57	0.0	-67.79	408.06	5.50	-62.29
CC(C)[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074790	1	57	0.0	-67.49	407.58	5.39	-62.10
CC(C)[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074791	0	59	0.0	-67.91	411.92	5.67	-62.24
CC(C)[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074791	1	59	0.0	-68.25	409.58	5.60	-62.65
CC[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1)[NH+](C)C	REAL300029074799	0	53	0.0	-66.37	373.39	4.41	-61.96
CC(C)[C@H]1CN(C(=O)CC2(O)CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074956	0	58	0.0	-70.12	413.49	3.85	-66.27
CC(C)[C@H]1CN(C(=O)C[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074968	0	47	0.0	-69.34	342.58	3.25	-66.09
CC(C)[C@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074972	0	58	0.0	-70.18	416.01	2.41	-67.77
CC(C)[C@H]1CN(C(=O)C[NH+]2CCCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074973	0	57	0.0	-67.73	393.68	5.29	-62.44
CC(C)[C@H]1CN(C(=O)C[N+]2=CN(C)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074977	0	49	0.0	-65.54	372.92	6.66	-58.88
CC(C)[C@H]1CN(C(=O)C2CCC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074984	0	54	0.0	-68.72	384.29	4.52	-64.20
CC(C)[C@H]1CN(C(=O)C2CCC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074984	1	54	0.0	-68.73	386.58	4.84	-63.89
CC(C)[C@H]1CN(C(=O)C2CCC[N@@H+]2C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074989	0	55	0.0	-62.02	394.16	5.41	-56.61
CC(C)[C@H]1CN(C(=O)C2CCC[N@H+]2C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074989	1	55	0.0	-61.59	390.43	5.30	-56.29
CC(C)[C@H]1CN(C(=O)C(C)[NH+]2CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075016	1	51	0.0	-65.49	369.43	4.21	-61.28
CCC(CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1)C[NH+](C)C	REAL300029075021	0	59	0.0	-71.80	417.57	5.80	-66.00
CC(C)[C@H]1CN(C(=O)C(C)(C)C[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075028	0	56	0.0	-68.35	380.26	4.40	-63.95
CC(C)[C@H]1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075045	0	56	0.0	-60.71	398.53	5.52	-55.19
CC(C)[C@H]1CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075045	1	56	0.0	-61.78	397.05	6.20	-55.58
CC(C)[C@H]1CN(C(=O)C[NH+]2CCC(O)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075053	1	55	0.0	-71.99	395.42	1.76	-70.23
CC(C)[C@H]1CN(C(=O)C[N@H+](C)C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075054	0	51	0.0	-66.25	372.22	4.89	-61.36
CC(C)[C@H]1CN(C(=O)C[N@@H+](C)C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075054	1	51	0.0	-65.63	372.16	4.88	-60.75
CC(C)[C@H]1CN(C(=O)C(C)N2CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075055	1	59	0.0	-72.04	409.71	2.82	-69.22
CC(C)[C@H]1CN(C(=O)CC2C[NH+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075073	0	51	0.0	-69.66	373.83	4.07	-65.59
CC(C)[C@H]1CN(C(=O)C2CC[N@@H+]2C2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075077	0	58	0.0	-65.85	407.56	5.88	-59.97
CC(C)[C@H]1CN(C(=O)C2CC[N@H+]2C2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075077	1	58	0.0	-66.98	412.10	5.92	-61.06
CC(C)[C@H]1CN(C(=O)C2CC[N@@H+]2C(C)(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075085	0	57	0.0	-63.70	403.20	5.13	-58.57
CC(C)[C@H]1CN(C(=O)C2CC[N@H+]2C(C)(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075085	1	57	0.0	-64.85	382.85	4.02	-60.83
CC(C)[C@H]1CN(C(=O)[C@H](C)[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075096	0	50	0.0	-66.35	357.45	3.49	-62.86
CCC1CCC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C(C)C)C2)C1	REAL300029075135	0	60	0.0	-68.56	423.85	6.62	-61.94
CCC1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C(C)C)C2)C1	REAL300029075135	1	60	0.0	-68.08	415.66	6.23	-61.85
CC(C)[C@H]1CN(C(=O)C2=CC=C(C[NH+](C)C)N2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075142	0	55	0.0	-69.06	406.29	4.79	-64.27
CC(C)[C@H]1CN(C(=O)CN2C=CSC2=[NH2+])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075183	0	47	0.0	-64.02	369.87	3.66	-60.36
CC(C)[C@H]1CN(C(=O)CC[N@H+](C)CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075193	0	54	0.0	-69.20	392.18	1.17	-68.03
CC(C)[C@H]1CN(C(=O)CC[N@@H+](C)CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075193	1	54	0.0	-69.08	392.51	1.19	-67.89
CC(C)[C@H]1CN(C(=O)[C@H](C)[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075194	0	50	0.0	-66.35	357.45	3.49	-62.86
CC(C)[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075198	0	54	0.0	-63.25	380.90	4.60	-58.65
CC(C)[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075198	1	54	0.0	-66.32	373.75	4.38	-61.94
CC(C)[C@H]1CN(C(=O)C2C[N@@H+]3CCN2CC3C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075206	0	57	0.0	-69.80	390.64	1.68	-68.12
CC(C)[C@H]1CN(C(=O)C2C[N@H+]3CCN2CC3C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075206	1	57	0.0	-69.02	391.19	1.92	-67.10
CC(C)[C@H]1CN(C(=O)CC2=CC3=C[NH+]=CN3C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075248	0	52	0.0	-68.19	397.19	7.71	-60.48
CC(C)[C@H]1CN(C(=O)C[N@H+](C)C2CCSC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075271	0	55	0.0	-73.45	402.60	5.35	-68.10
CC(C)[C@H]1CN(C(=O)C[N@@H+](C)C2CCSC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075271	1	55	0.0	-73.42	401.25	5.35	-68.07
CC(C)[C@H]1CN(C(=O)C[NH+]2CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075272	1	48	0.0	-68.39	352.01	3.62	-64.77
CC(C)[C@H]1CN(C(=O)C=C2CC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075302	0	52	0.0	-71.94	378.52	4.75	-67.19
CC(C)[C@H]1CN(C(=O)C=C2CC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075302	1	52	0.0	-71.79	378.81	4.72	-67.07
CC(C)[C@H]1CN(C(=O)COCC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075335	0	54	0.0	-67.79	398.39	4.49	-63.30
CCCCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1	REAL300029075341	0	62	0.0	-70.98	446.32	6.71	-64.27
CCCCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1	REAL300029075341	1	62	0.0	-71.01	446.32	6.70	-64.31
CC(C)[C@H]1CN(C(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075350	0	58	0.0	-68.27	417.68	5.05	-63.22
C=CCC(C)(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1)[NH+](C)C	REAL300029075357	0	57	0.0	-61.21	387.33	4.62	-56.59
CC(C)[C@H]1CN(C(=O)C(O)CC[S+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075362	0	53	0.0	-67.94	403.52	2.62	-65.32
CC(C)[C@H]1CN(C(=O)C2(C)CC(O)C[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075387	0	55	0.0	-65.97	382.00	0.52	-65.45
CC(C)[C@H]1CN(C(=O)C2CN(C)CC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075397	0	59	0.0	-65.55	414.14	2.72	-62.83
CC(C)[C@H]1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075397	1	59	0.0	-65.55	414.14	2.72	-62.83
CC(C)[C@H]1CN(C(=O)C(C)[N@@H+]2CCCC(O)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075398	0	58	0.0	-65.14	407.84	2.17	-62.97
CC(C)[C@H]1CN(C(=O)CC2(O)CCC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075416	0	58	0.0	-67.02	410.24	3.64	-63.38
CC(C)[C@H]1CN(C(=O)CC2(O)CCC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075416	1	58	0.0	-67.02	410.24	3.64	-63.38
CC(C)[C@H]1CN(C(=O)CN2CC(C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075419	0	51	0.0	-68.84	372.92	4.62	-64.22
CC(C)[C@H]1CN(C(=O)C[NH+]2CC(C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075419	1	51	0.0	-68.84	372.92	4.62	-64.22
CC(C)[C@H]1CN(C(=O)CN(C)CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075445	0	51	0.0	-68.92	369.77	0.58	-68.34
CC(C)[C@H]1CN(C(=O)C[N@H+](C)CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075445	1	51	0.0	-68.42	370.38	0.72	-67.70
CC(C)[C@H]1CN(C(=O)C[N@@H+](C)CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075445	1	51	0.0	-68.42	370.38	0.72	-67.70
CC(C)[C@H]1CN(C(=O)C2C[N@@H+]3CCN2CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075467	0	57	0.0	-71.71	388.55	2.65	-69.06
CC(C)[C@H]1CN(C(=O)C2C[N@H+]3CCN2CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075467	1	57	0.0	-71.71	388.55	2.65	-69.06
CC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C(C)C)C2)C1	REAL300029075473	0	57	0.0	-67.36	394.95	5.53	-61.83
CC[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C(C)C)C2)C1	REAL300029075473	1	57	0.0	-67.36	394.95	5.53	-61.83
CC(CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1)C[NH+](C)C	REAL300029075475	0	56	0.0	-70.10	400.00	5.53	-64.57
CC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1	REAL300029075486	0	50	0.0	-68.08	359.42	3.83	-64.25
CC(C)[C@H]1CN(C(=O)C23CCC[N@@H+]2CCCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075510	0	58	0.0	-61.26	388.83	4.71	-56.55
CC(C)[C@H]1CN(C(=O)C23CCC[N@H+]2CCCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075510	1	58	0.0	-61.26	388.83	4.71	-56.55
CC(C)[C@H]1CN(C(=O)C23CCC[N@@H+]2CC=CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075515	0	56	0.0	-61.53	383.11	4.77	-56.76
CC(C)[C@H]1CN(C(=O)C23CCC[N@H+]2CC=CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075515	1	56	0.0	-61.53	383.11	4.77	-56.76
CC[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1)C1CC1	REAL300029075535	0	54	0.0	-66.73	383.69	5.04	-61.69
CC[NH+](CC)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1	REAL300029075551	0	56	0.0	-68.68	395.87	4.86	-63.82
CC(C)[C@H]1CN(C(=O)CN2CC(C)(C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075574	0	54	0.0	-68.46	393.49	5.09	-63.37
CC(C)[C@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075574	1	54	0.0	-68.46	393.49	5.09	-63.37
CC(C)[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(O)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075599	0	55	0.0	-68.25	398.19	1.55	-66.70
CC(C)[C@H]1CN(C(=O)C=CC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075606	0	51	0.0	-71.70	378.35	4.42	-67.28
CC(C)[C@H]1CN(C(=O)C(C)OCC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075627	0	57	0.0	-67.80	414.14	4.90	-62.90
CC(C)[C@H]1CN(C(=O)CCOCC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075635	0	57	0.0	-67.05	419.94	4.32	-62.73
COCCN(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1	REAL300029075636	0	54	0.0	-68.20	392.63	3.12	-65.08
COCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1	REAL300029075636	1	54	0.0	-69.09	392.03	2.98	-66.11
COCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1	REAL300029075636	1	54	0.0	-69.09	392.03	2.98	-66.11
CC(C)[C@H]1CN(C(=O)C2([NH+](C)C)CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075669	0	57	0.0	-65.57	381.61	4.46	-61.11
CC(C)[C@H]1CN(C(=O)CCC(C)[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075672	0	56	0.0	-68.08	398.53	5.04	-63.04
CCN1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1	REAL300029075679	0	51	0.0	-65.81	367.09	3.93	-61.88
CC[N@@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1	REAL300029075679	1	51	0.0	-65.29	365.25	3.86	-61.43
CC[N@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1	REAL300029075679	1	51	0.0	-65.29	365.25	3.86	-61.43
CC(C)[C@H]1CN(C(=O)C2CCC[N@@H+](C(C)C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075689	0	60	0.0	-62.91	411.81	5.86	-57.05
CC(C)[C@H]1CN(C(=O)C2CCC[N@H+](C(C)C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075689	1	60	0.0	-62.91	411.81	5.86	-57.05
CC(C)[C@H]1CN(C(=O)C[N@@H+]2CCCC2CO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075702	0	55	0.0	-66.34	395.77	1.60	-64.74
CC(C)[C@H]1CN(C(=O)C2CC3CCCC[N@@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075724	0	58	0.0	-67.45	406.47	6.02	-61.43
CC(C)[C@H]1CN(C(=O)C2CC3CCCC[N@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075724	1	58	0.0	-67.45	406.47	6.02	-61.43
CC(C)[C@H]1CN(C(=O)C2(C)CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075730	0	57	0.0	-66.96	390.30	4.68	-62.28
C=CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1)[NH+](C)C	REAL300029075758	0	54	0.0	-65.26	384.46	4.87	-60.39
CC(C)[C@H]1CN(C(=O)C2CC(C)(C)C[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075768	0	57	0.0	-64.12	404.86	5.34	-58.78
CC(C)[C@H]1CN(C(=O)C2CC(C)(C)C[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075768	1	57	0.0	-64.12	404.86	5.34	-58.78
CC(C)[C@H]1CN(C(=O)CCCCC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075772	0	59	0.0	-69.03	429.43	6.22	-62.81
CC(C)[C@H]1CN(C(=O)C2C[N@@H+]3CCN2C(C)C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075806	0	57	0.0	-71.17	390.86	1.80	-69.37
CCCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1)[NH+](C)C	REAL300029075807	0	56	0.0	-65.88	390.28	4.80	-61.08
CC(C)[C@H]1CN(C(=O)C(C)(C)[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075811	0	53	0.0	-72.38	361.50	3.65	-68.73
CC(C)[C@H]1CN(C(=O)C2CCCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075849	0	54	0.0	-63.68	382.33	4.74	-58.94
CC(C)[C@H]1CN(C(=O)C2CCCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075849	1	54	0.0	-63.65	380.46	4.65	-59.00
CC(C)[C@H]1CN(C(=O)CC2=CC[N@H+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075882	0	55	0.0	-68.11	400.80	5.50	-62.61
CC(C)[C@H]1CN(C(=O)CC2=CC[N@@H+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075882	1	55	0.0	-67.05	401.63	5.62	-61.43
CC(C)[C@H]1CN(C(=O)CC2([NH+]3CCCC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075891	0	58	0.0	-64.89	407.99	5.93	-58.96
CC(C)[C@H]1CN(C(=O)C2=CC=C(C[NH+](C)C)O2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075935	1	54	0.0	-68.43	404.13	5.07	-63.36
CC(C)[C@H]1CN(C(=O)C=CC[NH+]2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075951	0	55	0.0	-70.33	403.71	5.61	-64.72
CC(C)[C@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075972	0	58	0.0	-67.71	412.98	6.16	-61.55
CC(C)[C@H]1CN(C(=O)C2([NH+](C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075991	0	51	0.0	-65.64	365.71	3.89	-61.75
CC(C)[C@H]1CN(C(=O)CC[NH+]2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075993	0	54	0.0	-68.93	390.87	4.98	-63.95
CC(C)[C@H]1CN(C(=O)C2C[NH+]3CCN2CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076027	0	54	0.0	-71.70	374.25	1.21	-70.49
CC(C)[C@H]1CN(C(=O)C23CC(C2)C[N@@H+]3C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076037	0	52	0.0	-64.08	368.97	4.08	-60.00
CC(C)[C@H]1CN(C(=O)C23CC(C2)C[N@H+]3C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076037	1	52	0.0	-64.00	369.38	4.35	-59.65
CC(C)[C@H]1CN(C(=O)C[N@@H+]2CC3CCC2C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076049	0	55	0.0	-65.20	385.79	5.02	-60.18
CC(C)[C@H]1CN(C(=O)C[N@H+]2CC3CCC2C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076049	1	55	0.0	-65.47	386.52	5.27	-60.20
CC(C)[C@H]1CN(C(=O)C=C2C[NH+]3CCC2CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076090	0	56	0.0	-66.37	396.82	5.52	-60.85
CC(C)[C@H]1CN(C(=O)C[N@@H+]2CC3C=CC2C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076100	1	53	0.0	-64.55	380.86	5.02	-59.53
CC(C)[C@H]1CN(C(=O)C[N@H+]2CC3C=CC2C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076100	1	53	0.0	-64.76	381.47	5.00	-59.76
CC[NH+]1CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C(C)C)C2)CC1	REAL300029076131	0	59	0.0	-66.98	419.38	3.32	-63.66
CC(C)[C@H]1CN(C(=O)C(C)C[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076148	0	53	0.0	-70.79	381.06	4.44	-66.35
CC(C)[C@H]1CN(C(=O)CC2CCCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076218	0	57	0.0	-62.40	393.60	5.27	-57.13
CC(C)[C@H]1CN(C(=O)CC2CCCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076218	1	57	0.0	-62.98	394.41	5.27	-57.71
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)[C@@H](C(C)C)C3)C=CN2C=[NH+]1	REAL300029076234	1	52	0.0	-67.75	391.72	6.79	-60.96
CC(C)[C@H]1CN(C(=O)C(C)[NH+]2CC(C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076235	0	54	0.0	-64.73	387.46	4.64	-60.09
CC(C)[C@H]1CN(C(=O)C[N@@H+]2CCC2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076238	1	51	0.0	-66.91	373.59	4.21	-62.70
CC(C)[C@H]1CN(C(=O)C[N@H+]2CCC2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076238	1	51	0.0	-65.74	367.43	3.93	-61.81
CC(C)[C@H]1CN(C(=O)CC(O)C[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076242	0	54	0.0	-72.82	395.49	2.56	-70.26
CC(C)[C@H]1CN(C(=O)C2C[N@H+](C)CC(C)O2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076269	1	55	0.0	-69.41	387.94	3.94	-65.47
CC(C)[C@H]1CN(C(=O)C2C[N@@H+](C)CC(C)O2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076269	1	55	0.0	-74.26	388.64	3.71	-70.55
CC(C)[C@H]1CN(C(=O)CC[NH+]2CCC(O)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076278	0	58	0.0	-73.00	417.17	2.30	-70.70
CCC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1	REAL300029076280	0	60	0.0	-63.08	421.50	6.25	-56.83
CCC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1	REAL300029076280	1	60	0.0	-64.75	411.21	5.93	-58.82
CC(C)[C@H]1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076350	0	54	0.0	-68.69	391.91	5.11	-63.58
CC(C)[C@H]1CN(C(=O)C(C)CC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076358	0	56	0.0	-75.61	399.72	4.95	-70.66
CC(C)[C@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076378	0	58	0.0	-66.27	413.32	2.64	-63.63
CC(C)[C@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076378	1	58	0.0	-64.05	412.95	2.65	-61.40
C#CC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1	REAL300029076384	1	56	0.0	-65.05	396.79	5.53	-59.52
C#CC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1	REAL300029076384	1	56	0.0	-65.23	399.97	5.79	-59.44
CC(C)[C@H]1CN(C(=O)CN2CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076387	1	56	0.0	-68.72	401.90	2.98	-65.74
CC[NH+]1CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C(C)C)C2)CC1	REAL300029076396	0	59	0.0	-66.98	419.38	3.32	-63.66
CC(C)[C@H]1CN(C(=O)CSC(N)=[NH2+])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076420	0	45	0.0	-68.87	351.41	0.44	-68.43
CC[N@@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H](C(C)C)C1	REAL300029076455	0	58	0.0	-71.06	410.65	3.95	-67.11
CC(C)[C@H]1CN(C(=O)C2CCC([NH+](C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076470	0	60	0.0	-64.16	412.07	5.78	-58.38
CC(C)[C@H]1CN(C(=O)C2(CC[NH+](C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076471	0	57	0.0	-68.47	414.24	5.65	-62.82
CC(C)[C@H]1CN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076473	0	60	0.0	-64.90	412.50	5.72	-59.18
CC(C)[C@H]1CN(C(=O)CC2CC=CC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076474	0	55	0.0	-70.62	393.57	5.43	-65.19
CC(C)[C@H]1CN(C(=O)CC2CC=CC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076474	1	55	0.0	-70.62	393.57	5.43	-65.19
CC(C)[C@H]1CN(C(=O)[C@@H](C)OCC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076495	0	57	0.0	-65.72	412.68	4.72	-61.00
CC(C)[C@H]1CN(C(=O)C2CC3CCC(C2)[NH+]3C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076521	0	58	0.0	-66.73	387.12	4.98	-61.75
CC(C)[C@H]1CN(C(=O)C(C)[NH+]2CCSCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076627	1	55	0.0	-67.69	398.00	5.08	-62.61
CCC1C[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C(C)C)C2)C1	REAL300029076629	0	54	0.0	-68.94	394.33	5.04	-63.90
CC(C)[C@H]1CN(C(=O)C2([NH+]3CCCC3)CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076631	0	58	0.0	-60.78	399.33	5.35	-55.43
CC(C)[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076640	1	51	0.0	-64.04	365.04	4.03	-60.01
CC(C)[C@H]1CN(C(=O)CC[N@H+]2CCC(F)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076647	1	54	0.0	-73.87	395.98	5.00	-68.87
COC1C[N@@H+](C)C(C)(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C(C)C)C2)C1	REAL300029076655	1	58	0.0	-63.08	405.70	3.07	-60.01
CC(C)[C@H]1CN(C(=O)CC[NH+]2CCCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076663	0	60	0.0	-70.55	416.56	5.87	-64.68
CC(C)[C@H]1CN(C(=O)C[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076665	0	54	0.0	-67.89	384.31	5.12	-62.77
CC(C)[C@H]1CN(C(=O)C2CC[N@H+](C)C2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076675	0	54	0.0	-66.26	384.80	4.54	-61.72
CC(C)[C@H]1CN(C(=O)C2CC[N@@H+](C)C2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076675	1	54	0.0	-70.29	377.38	4.28	-66.01
CC(C)[C@H]1CN(C(=O)CCC2CCCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076677	0	60	0.0	-67.56	423.78	6.43	-61.13
CC(C)[C@H]1CN(C(=O)CCC2CCCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076677	1	60	0.0	-69.69	415.75	5.91	-63.78
CC(C)[C@H]1CN(C(=O)C2CC[N@@H+]3CCOCC23)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076705	0	56	0.0	-70.28	397.98	3.35	-66.93
CC(C)[C@H]1CN(C(=O)C2CC[N@H+]3CCOCC23)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076705	1	56	0.0	-70.64	396.87	3.32	-67.32
CC1=[NH+]C=C2C=CC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)[C@@H](C(C)C)C3)=CN21	REAL300029076710	0	52	0.0	-63.51	390.99	6.00	-57.51
CC(C)[C@H]1CN(C(=O)CC2COCCN2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076724	0	55	0.0	-66.04	385.67	2.91	-63.13
CC(C)[C@H]1CN(C(=O)CC2COCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076724	1	55	0.0	-73.14	391.75	3.00	-70.14
CC(C)[C@H]1CN(C(=O)CC2COCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076724	1	55	0.0	-66.04	385.67	2.91	-63.13
CC1=C(C)[NH+]=C(CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C(C)C)C2)N1	REAL300029076732	1	55	0.0	-62.88	411.97	4.46	-58.42
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@@H+]1C	REAL300029076902	0	51	0.0	-66.90	356.34	3.53	-63.37
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@H+]1C	REAL300029076902	1	51	0.0	-64.26	363.58	3.89	-60.37
CC1=[NH+]C=CN1CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029077086	1	55	0.0	-64.45	413.32	6.23	-58.22
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCOCC1	REAL300029077091	1	55	0.0	-72.57	397.40	3.19	-69.38
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300029077116	1	49	0.0	-68.82	369.17	6.33	-62.49
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCCC([NH+](C)C)C1	REAL300029077162	0	60	0.0	-67.62	418.34	5.74	-61.88
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC[N@H+](C)C1	REAL300029077165	0	54	0.0	-69.49	388.85	4.83	-64.66
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC[N@@H+](C)C1	REAL300029077165	1	54	0.0	-68.93	388.80	4.82	-64.11
CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C)[NH+](C)C	REAL300029077180	0	53	0.0	-65.28	366.27	3.88	-61.40
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCC[NH+](C)C	REAL300029077236	0	56	0.0	-68.88	407.50	5.30	-63.58
CCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029077256	0	56	0.0	-69.96	404.31	5.27	-64.69
CCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029077256	1	56	0.0	-69.88	404.31	5.28	-64.60
CCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029077260	0	53	0.0	-68.82	381.94	4.67	-64.15
CCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029077260	1	53	0.0	-69.23	380.53	4.48	-64.75
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C12CC[N@H+](C1)CCC2	REAL300029077278	0	55	0.0	-67.75	374.36	3.95	-63.80
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300029077278	1	55	0.0	-68.34	375.86	3.96	-64.38
CCCCCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029077303	0	62	0.0	-70.02	446.45	7.01	-63.01
CCCCCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029077303	1	62	0.0	-70.45	445.02	6.83	-63.62
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCC(C)CC1	REAL300029077336	0	57	0.0	-69.37	403.60	5.59	-63.78
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)COC1CC[NH+](C)CC1	REAL300029077357	0	58	0.0	-70.61	422.72	5.27	-65.34
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCCC[N@@H+]2C1	REAL300029077392	0	58	0.0	-65.11	407.05	5.84	-59.27
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCCC[N@H+]2C1	REAL300029077392	1	58	0.0	-64.85	405.48	5.72	-59.13
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1(C[NH+](C)C)CC1	REAL300029077402	0	54	0.0	-70.56	390.45	4.72	-65.84
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[NH+](C(C)C)CC1	REAL300029077412	0	60	0.0	-67.14	415.39	5.62	-61.52
CC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029077431	0	53	0.0	-69.27	382.76	4.54	-64.73
CC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029077431	1	53	0.0	-69.61	382.27	4.39	-65.22
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[NH+]2CCC1CC2	REAL300029077459	0	55	0.0	-70.30	377.59	4.64	-65.66
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[NH+](C)CC1	REAL300029077523	0	54	0.0	-69.55	382.97	4.57	-64.98
CC[NH+](CC)CC(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029077605	0	56	0.0	-67.48	403.93	5.16	-62.32
CC(C)C[N@@H+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C(C)C)C1	REAL300029077629	0	60	0.0	-66.79	422.88	6.02	-60.77
CC(C)C[N@H+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C(C)C)C1	REAL300029077629	1	60	0.0	-67.88	424.40	5.96	-61.92
CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C)[NH+](CC)CC	REAL300029077654	0	59	0.0	-61.60	401.83	5.33	-56.27
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CCCC1C	REAL300029077670	0	54	0.0	-65.02	381.32	4.66	-60.36
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+]1CCCC1C	REAL300029077670	1	54	0.0	-65.01	381.05	4.67	-60.34
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(C)[NH+]1CCCCCC1	REAL300029077718	0	60	0.0	-63.84	405.04	5.38	-58.46
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@@H+]1C(C)C	REAL300029077737	0	57	0.0	-62.49	396.55	5.09	-57.40
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@H+]1C(C)C	REAL300029077737	1	57	0.0	-63.32	391.84	4.83	-58.49
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CCC[N@@H+]1C(C)C	REAL300029077742	0	60	0.0	-65.49	421.31	5.94	-59.55
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CCC[N@H+]1C(C)C	REAL300029077742	1	60	0.0	-65.92	422.52	5.95	-59.97
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CCC(C)C1	REAL300029077769	0	54	0.0	-68.30	387.36	4.87	-63.43
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+]1CCC(C)C1	REAL300029077769	1	54	0.0	-67.93	388.34	4.76	-63.17
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300029077772	0	57	0.0	-67.80	408.25	5.56	-62.24
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1	REAL300029077772	1	57	0.0	-68.55	407.05	5.35	-63.20
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)CC(C)(C)C	REAL300029077773	0	59	0.0	-68.47	411.48	5.67	-62.80
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C	REAL300029077773	1	59	0.0	-68.76	409.65	5.55	-63.21
CC[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C)[NH+](C)C	REAL300029077780	0	53	0.0	-66.36	369.53	4.00	-62.36
CC1=[NH+]C=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029077955	1	49	0.0	-64.21	370.90	4.70	-59.51
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(C)C[NH+]1CCOCC1	REAL300029077956	1	58	0.0	-70.25	412.46	3.75	-66.50
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC[NH+]1CCCCC1	REAL300029077969	0	60	0.0	-68.05	427.85	6.58	-61.47
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300029077979	1	53	0.0	-73.70	397.70	4.53	-69.17
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C(C)C)C=CC2=C[NH+]=CN21	REAL300029077980	0	52	0.0	-64.72	393.00	6.83	-57.89
CC(C)C1=[NH+]C=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029078012	1	55	0.0	-62.88	407.65	5.85	-57.03
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300029078040	0	58	0.0	-60.50	409.07	6.02	-54.48
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCCC2CCC[N@H+]21	REAL300029078040	1	58	0.0	-60.78	404.79	5.87	-54.91
CC[N@@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C(C)C)C1	REAL300029078054	1	55	0.0	-67.06	380.81	3.68	-63.38
CC[N@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C(C)C)C1	REAL300029078054	1	55	0.0	-70.92	392.02	3.81	-67.11
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300029078092	0	49	0.0	-67.00	368.92	6.31	-60.69
CC1=C[NH+]=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029078097	1	49	0.0	-67.21	371.92	5.46	-61.75
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300029078109	0	54	0.0	-70.92	371.85	4.10	-66.82
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300029078109	1	54	0.0	-68.80	373.10	4.67	-64.13
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C(C)C)CC[N@@H+]1C	REAL300029078112	0	57	0.0	-68.33	395.44	4.80	-63.53
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C(C)C)CC[N@H+]1C	REAL300029078112	1	57	0.0	-68.07	401.88	5.11	-62.96
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1C(C)CCC1C	REAL300029078120	0	57	0.0	-63.88	395.74	5.20	-58.68
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC[NH+]1CCCC1	REAL300029078126	0	57	0.0	-68.17	410.94	5.63	-62.54
C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C(C)C)CC1	REAL300029078131	0	56	0.0	-71.04	409.00	5.77	-65.27
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCCCC1	REAL300029078132	0	57	0.0	-68.70	406.36	5.78	-62.92
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1([NH+](C)C)CCCC1	REAL300029078167	0	60	0.0	-69.61	404.40	5.58	-64.03
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)C1CCC1	REAL300029078282	0	54	0.0	-67.27	387.39	5.08	-62.19
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)C1CCC1	REAL300029078282	1	54	0.0	-66.38	388.60	5.24	-61.14
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(C)[NH+]1C(C)CCC1C	REAL300029078299	0	60	0.0	-61.18	410.65	5.49	-55.69
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCC[NH+]1CCCC1	REAL300029078311	0	60	0.0	-67.25	432.65	6.59	-60.66
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[NH+](C)CC1	REAL300029078322	0	54	0.0	-69.55	382.97	4.57	-64.98
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CCC[N@@H+]1C	REAL300029078353	0	51	0.0	-64.50	361.57	3.86	-60.64
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CCC[N@H+]1C	REAL300029078353	1	51	0.0	-66.04	361.58	3.72	-62.32
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1CCC[N@@H+]1C	REAL300029078378	0	57	0.0	-67.57	403.14	5.17	-62.40
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1CCC[N@H+]1C	REAL300029078378	1	57	0.0	-67.41	403.68	5.19	-62.22
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300029078387	0	58	0.0	-63.30	399.43	5.63	-57.67
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC2CCCC[N@H+]21	REAL300029078387	1	58	0.0	-62.62	401.75	5.72	-56.90
CCC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C(C)C)C1	REAL300029078443	0	60	0.0	-63.31	416.36	6.20	-57.11
CCC[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C(C)C)C1	REAL300029078443	1	60	0.0	-67.26	422.77	6.04	-61.22
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@@H+](C(C)C)CCO1	REAL300029078454	1	58	0.0	-64.12	402.83	4.21	-59.91
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@H+](C(C)C)CCO1	REAL300029078454	1	58	0.0	-67.83	409.25	4.30	-63.53
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCC(CO)CC1	REAL300029078503	0	58	0.0	-71.03	414.46	2.23	-68.80
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@H+](C)C1C	REAL300029078543	0	54	0.0	-65.75	384.47	4.53	-61.22
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@@H+](C)C1C	REAL300029078543	1	54	0.0	-67.23	385.18	4.56	-62.67
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1CCCC[N@@H+]1C	REAL300029078545	0	60	0.0	-66.78	423.20	6.20	-60.58
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1CCCC[N@H+]1C	REAL300029078545	1	60	0.0	-69.00	416.23	5.93	-63.07
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=C(CCC2)[NH+]=C1N	REAL300029078571	1	54	0.0	-57.92	395.19	3.92	-54.00
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300029078615	0	57	0.0	-63.68	370.25	4.35	-59.33
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@H+]1C(C)(C)C	REAL300029078615	1	57	0.0	-65.29	377.53	4.15	-61.14
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H](C)[NH+](C)C	REAL300029078632	0	50	0.0	-66.08	355.77	3.59	-62.49
C=CCC(C)(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C)[NH+](C)C	REAL300029078649	0	57	0.0	-60.34	381.98	4.58	-55.76
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCCC1	REAL300029078671	0	54	0.0	-68.74	389.65	5.01	-63.73
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)CCO	REAL300029078680	1	51	0.0	-69.51	369.38	0.51	-69.00
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)CCO	REAL300029078680	1	51	0.0	-68.19	370.83	0.68	-67.51
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@@H+]2CCN1CCC2	REAL300029078713	0	57	0.0	-71.98	381.86	2.52	-69.46
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@H+]2CCN1CCC2	REAL300029078713	1	57	0.0	-71.31	385.21	2.44	-68.87
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(C)[NH+]1CCSCC1	REAL300029078731	1	55	0.0	-68.26	393.33	4.93	-63.33
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC[N@H+](C)CC1	REAL300029078759	0	55	0.0	-67.47	401.12	5.57	-61.90
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC[N@@H+](C)CC1	REAL300029078759	1	55	0.0	-66.39	401.50	5.65	-60.74
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(O)CC[S+](C)C	REAL300029078771	0	53	0.0	-65.81	403.63	2.49	-63.32
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CN(C)CC[N@H+](C)C1	REAL300029078796	0	59	0.0	-65.12	411.88	3.09	-62.03
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CN(C)CC[N@@H+](C)C1	REAL300029078796	1	59	0.0	-65.86	408.83	3.26	-62.60
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(C)[N@@H+]1CCCC(O)C1	REAL300029078797	0	58	0.0	-66.21	410.99	2.11	-64.10
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(C)[N@H+]1CCCC(O)C1	REAL300029078797	1	58	0.0	-64.50	405.63	2.20	-62.30
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1(O)CCC[N@H+](C)C1	REAL300029078828	0	58	0.0	-64.20	412.35	3.28	-60.92
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1(O)CCC[N@@H+](C)C1	REAL300029078828	1	58	0.0	-64.86	402.71	3.05	-61.81
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CC(C)C1	REAL300029078832	1	51	0.0	-68.40	374.01	4.36	-64.04
CC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C(C)C)C1	REAL300029078837	0	57	0.0	-62.82	395.11	5.56	-57.26
CC[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C(C)C)C1	REAL300029078837	1	57	0.0	-66.85	402.40	5.28	-61.57
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC=C[NH+]=C1N	REAL300029078843	0	50	0.0	-64.17	376.60	3.14	-61.03
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@@H+]1C1CC1	REAL300029078853	0	55	0.0	-63.85	389.86	5.10	-58.75
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@H+]1C1CC1	REAL300029078853	1	55	0.0	-63.71	390.94	4.95	-58.76
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=CC[NH+]1CCCC1	REAL300029078891	0	55	0.0	-69.38	403.82	5.76	-63.62
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300029078910	0	58	0.0	-66.74	413.23	5.98	-60.76
CC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029078942	0	50	0.0	-68.43	360.20	3.93	-64.50
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1CC2C=CC1C2	REAL300029078986	0	53	0.0	-64.83	381.48	5.15	-59.68
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CC2C=CC1C2	REAL300029078986	1	53	0.0	-66.13	381.78	5.25	-60.88
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+]1CC2C=CC1C2	REAL300029078986	1	53	0.0	-66.13	381.78	5.25	-60.88
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(C)OCC[NH+](C)C	REAL300029079103	0	57	0.0	-66.45	413.17	4.57	-61.88
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCOCC[NH+](C)C	REAL300029079112	0	57	0.0	-66.01	419.51	4.11	-61.90
COCCN(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029079114	0	54	0.0	-68.03	392.54	3.01	-65.02
COCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029079114	1	54	0.0	-69.71	391.63	2.91	-66.80
COCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029079114	1	54	0.0	-69.71	391.63	2.91	-66.80
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC(C)[NH+](C)C	REAL300029079119	0	56	0.0	-70.00	395.08	4.91	-65.09
CC[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C)C1CC1	REAL300029079141	0	54	0.0	-70.81	391.22	5.43	-65.38
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@@H+]2CCN1C(C)C2	REAL300029079151	0	57	0.0	-70.38	391.51	1.84	-68.54
CC1=NC(N)=CC=C1C=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029079177	0	54	0.0	-65.11	405.51	3.80	-61.31
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029079177	1	54	0.0	-65.11	405.51	3.80	-61.31
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CC2CCC1C2	REAL300029079183	0	55	0.0	-66.25	388.99	5.36	-60.89
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+]1CC2CCC1C2	REAL300029079183	1	55	0.0	-66.25	388.99	5.36	-60.89
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(C)C[NH+](C)C	REAL300029079200	0	53	0.0	-64.38	377.95	4.38	-60.00
CCN1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029079240	0	51	0.0	-65.68	366.18	3.87	-61.81
CC[N@@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029079240	1	51	0.0	-66.39	372.79	4.17	-62.22
CC[N@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029079240	1	51	0.0	-66.39	372.79	4.17	-62.22
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@@H+](C(C)C)C1	REAL300029079250	0	60	0.0	-65.50	418.76	5.69	-59.81
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@H+](C(C)C)C1	REAL300029079250	1	60	0.0	-65.50	418.76	5.69	-59.81
CCC(C)(C)[NH2+]C(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029079261	0	59	0.0	-65.30	402.79	3.54	-61.76
C#CCN1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029079299	0	56	0.0	-65.03	396.78	5.59	-59.44
C#CC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029079299	1	56	0.0	-64.66	398.13	5.53	-59.13
C#CC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029079299	1	56	0.0	-64.66	398.13	5.53	-59.13
CNC1=NC(C)=CC=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029079300	0	53	0.0	-58.32	393.26	3.99	-54.33
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029079300	1	53	0.0	-58.32	393.26	3.99	-54.33
CCCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C)[NH+](C)C	REAL300029079310	0	56	0.0	-65.61	391.98	4.89	-60.72
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(C)CC[NH+](C)C	REAL300029079331	0	56	0.0	-69.00	399.97	4.79	-64.21
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300029079421	0	57	0.0	-64.32	403.92	5.09	-59.23
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC(C)(C)C[N@H+]1C	REAL300029079421	1	57	0.0	-64.32	403.92	5.09	-59.23
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCCC[NH+](C)C	REAL300029079426	0	59	0.0	-67.71	429.21	6.25	-61.46
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCC(O)CC1	REAL300029079430	0	58	0.0	-72.55	417.44	2.42	-70.13
CCC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029079433	0	60	0.0	-62.57	420.87	6.07	-56.50
CCC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029079433	1	60	0.0	-62.57	420.87	6.07	-56.50
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1CCN(C)CC1	REAL300029079441	0	56	0.0	-68.15	399.06	2.50	-65.65
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1CC[NH+](C)CC1	REAL300029079441	1	56	0.0	-68.15	399.06	2.50	-65.65
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CN(C)CC(C)O1	REAL300029079525	0	55	0.0	-70.52	389.67	3.96	-66.56
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@H+](C)CC(C)O1	REAL300029079525	1	55	0.0	-71.70	389.46	3.93	-67.77
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@@H+](C)CC(C)O1	REAL300029079525	1	55	0.0	-71.70	389.46	3.93	-67.77
CCC1CCC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C(C)C)C1	REAL300029079555	0	60	0.0	-68.68	422.48	6.29	-62.39
CCC1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C(C)C)C1	REAL300029079555	1	60	0.0	-68.68	422.48	6.29	-62.39
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1([NH+]2CCCC2)CC1	REAL300029079590	0	58	0.0	-70.04	407.57	6.12	-63.92
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCCC[N@@H+]1C	REAL300029079621	0	54	0.0	-65.51	374.40	4.51	-61.00
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=C1CC[N@H+](C)C1	REAL300029079713	0	52	0.0	-70.81	378.90	4.81	-66.00
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=C1CC[N@@H+](C)C1	REAL300029079713	1	52	0.0	-70.81	378.90	4.81	-66.00
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CNC1=CC=[NH+]C=C1	REAL300029079718	0	50	0.0	-65.45	378.07	2.56	-62.89
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=C1C[NH+]2CCC1CC2	REAL300029079765	0	56	0.0	-66.76	396.94	5.52	-61.24
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300029079802	0	58	0.0	-66.08	413.67	2.53	-63.55
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@@H]1CCC[N@@H+]1C	REAL300029079818	0	51	0.0	-64.00	365.25	4.08	-59.92
CCN1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029079843	0	58	0.0	-68.48	406.15	3.69	-64.79
CC[N@@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029079843	1	58	0.0	-69.44	405.85	3.53	-65.91
CC[N@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029079843	1	58	0.0	-68.48	406.15	3.69	-64.79
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1=CC=C(N)[NH+]=C1	REAL300029079877	0	53	0.0	-65.23	401.73	3.82	-61.41
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC2=C[NH+]=CN2C=C1	REAL300029079880	0	52	0.0	-66.90	396.86	7.50	-59.40
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C2NC(N)=[NH+]C2=C1	REAL300029079910	1	51	0.0	-64.41	383.14	4.06	-60.35
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300029079939	0	54	0.0	-67.90	390.35	4.83	-63.07
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC([NH+](C)C)CC1	REAL300029079952	0	60	0.0	-63.69	410.77	5.58	-58.11
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300029079954	0	60	0.0	-63.76	410.84	5.65	-58.11
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC=CC[N@@H+]1C	REAL300029079955	0	55	0.0	-70.47	392.35	5.29	-65.18
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC=CC[N@H+]1C	REAL300029079955	1	55	0.0	-64.12	389.04	5.39	-58.73
CC1=CC(C=CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C(C)C)=C[NH+]=C1N	REAL300029080000	1	54	0.0	-66.25	405.78	4.14	-62.11
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)COCC[NH+](C)C	REAL300029080011	0	54	0.0	-66.90	398.01	4.07	-62.83
CCCCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029080017	0	62	0.0	-70.94	447.30	6.84	-64.10
CCCCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029080017	1	62	0.0	-70.85	447.31	6.84	-64.01
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300029080027	0	58	0.0	-66.61	417.22	4.78	-61.83
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1C=CSC1=[NH2+]	REAL300029080044	0	47	0.0	-63.30	369.24	3.31	-59.99
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@@H](C)OCC[NH+](C)C	REAL300029080102	0	57	0.0	-64.83	412.79	4.46	-60.37
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCCCCC1	REAL300029080132	0	60	0.0	-70.33	416.36	5.95	-64.38
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@H+](C)C1	REAL300029080138	0	54	0.0	-68.25	386.07	4.80	-63.45
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@@H+](C)C1	REAL300029080138	1	54	0.0	-68.25	386.07	4.80	-63.45
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCCCCC1	REAL300029080140	0	57	0.0	-67.88	394.08	5.38	-62.50
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N+]1=CN(C)C=C1	REAL300029080145	0	49	0.0	-65.80	373.40	6.63	-59.17
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(CN(C)C)O1	REAL300029080158	0	54	0.0	-67.07	401.99	4.76	-62.31
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300029080158	1	54	0.0	-67.07	401.99	4.76	-62.31
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1CCC(O)CC1	REAL300029080171	0	55	0.0	-72.79	393.84	1.62	-71.17
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCC(O)CC1	REAL300029080171	1	55	0.0	-72.79	393.84	1.62	-71.17
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)C1CC1	REAL300029080176	0	51	0.0	-65.46	372.02	4.75	-60.71
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(C)N1CCN(C)CC1	REAL300029080178	0	59	0.0	-66.96	406.40	2.60	-64.36
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(C)N1CC[NH+](C)CC1	REAL300029080178	1	59	0.0	-66.96	406.40	2.60	-64.36
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@@H+]1CCC(F)C1	REAL300029080180	0	54	0.0	-73.41	396.54	5.15	-68.26
CC(CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C)C[NH+](C)C	REAL300029080204	0	56	0.0	-70.88	398.48	5.17	-65.71
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@@H+]2CCOCC12	REAL300029080219	0	56	0.0	-66.45	386.28	3.21	-63.24
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@H+]2CCOCC12	REAL300029080219	1	56	0.0	-66.45	386.28	3.21	-63.24
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1COCCN1C	REAL300029080238	0	55	0.0	-65.79	385.46	3.00	-62.79
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1COCC[N@@H+]1C	REAL300029080238	1	55	0.0	-72.45	392.34	3.15	-69.30
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1COCC[N@H+]1C	REAL300029080238	1	55	0.0	-72.45	392.34	3.15	-69.30
CC1=CC(N)=NC=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029080284	0	50	0.0	-62.87	372.11	2.51	-60.36
CC1=CC(N)=[NH+]C=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029080284	1	50	0.0	-62.87	372.11	2.51	-60.36
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300029080319	0	55	0.0	-68.10	398.65	1.68	-66.42
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1C[NH+](C)C1	REAL300029080351	0	51	0.0	-69.19	374.16	4.14	-65.05
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@@H+]1C1CCCC1	REAL300029080356	0	58	0.0	-65.63	405.81	5.59	-60.04
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@H+](C)CCO	REAL300029080390	0	54	0.0	-68.75	392.51	1.31	-67.44
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@@H+](C)CCO	REAL300029080390	1	54	0.0	-68.75	392.51	1.31	-67.44
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CCCC[N@@H+]1C	REAL300029080407	0	57	0.0	-63.90	393.31	5.24	-58.66
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CCCC[N@H+]1C	REAL300029080407	1	57	0.0	-63.90	393.31	5.24	-58.66
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C(C)C)C=CN2C=N1	REAL300029080424	0	52	0.0	-66.53	391.07	6.88	-59.65
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C(C)C)C=CN2C=[NH+]1	REAL300029080424	1	52	0.0	-66.53	391.07	6.88	-59.65
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1CCC1C	REAL300029080428	0	51	0.0	-67.03	373.74	4.34	-62.69
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CCC1C	REAL300029080428	1	51	0.0	-66.72	373.78	4.35	-62.37
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+]1CCC1C	REAL300029080428	1	51	0.0	-66.72	373.78	4.35	-62.37
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=CC[NH+](C)C	REAL300029080438	0	51	0.0	-71.28	378.13	4.35	-66.93
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1CC(C)(C)C1	REAL300029080450	0	54	0.0	-74.11	392.69	4.84	-69.27
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CC(C)(C)C1	REAL300029080450	1	54	0.0	-74.11	392.69	4.84	-69.27
CC1=C(C)NC(CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C(C)C)=N1	REAL300029080467	0	55	0.0	-62.57	412.58	4.61	-57.96
CC1=C(C)[NH+]=C(CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C(C)C)N1	REAL300029080467	1	55	0.0	-62.57	412.58	4.61	-57.96
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C(C)C)C=CN2C=N1	REAL300029080477	0	52	0.0	-66.53	391.07	6.88	-59.65
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C(C)C)C=CN2C=[NH+]1	REAL300029080477	1	52	0.0	-66.53	391.07	6.88	-59.65
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CSCC[NH+](C)C	REAL300029080485	0	54	0.0	-70.68	409.08	5.16	-65.52
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CCCC1CO	REAL300029080508	0	55	0.0	-66.40	397.23	1.80	-64.60
CC[NH+](CC)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029080512	0	53	0.0	-66.76	374.03	4.34	-62.42
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)C1CCSC1	REAL300029080522	0	55	0.0	-74.59	401.62	5.39	-69.20
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1CCC1	REAL300029080524	0	48	0.0	-68.72	352.28	3.53	-65.19
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCC1	REAL300029080524	1	48	0.0	-68.72	352.28	3.53	-65.19
CC[NH+](CC)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C	REAL300029080560	0	56	0.0	-68.84	395.78	4.80	-64.04
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2COCC[N@@H+]2C1	REAL300029080629	0	56	0.0	-69.18	395.41	3.32	-65.86
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2COCC[N@H+]2C1	REAL300029080629	1	56	0.0	-69.18	395.41	3.32	-65.86
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(C)N1CCC1	REAL300029080641	0	51	0.0	-65.62	367.65	3.97	-61.65
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(C)[NH+]1CCC1	REAL300029080641	1	51	0.0	-65.62	367.65	3.97	-61.65
CCC(CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C)C[NH+](C)C	REAL300029080647	0	59	0.0	-71.53	417.41	5.95	-65.58
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CCCC[N@@H+]1C	REAL300029080699	0	54	0.0	-65.87	373.47	4.43	-61.44
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@@H+]2CCN1CC2C	REAL300029080711	0	57	0.0	-68.28	391.11	1.81	-66.47
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC(O)C[NH+](C)C	REAL300029080731	0	54	0.0	-71.56	395.37	2.24	-69.32
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCC(C1)[NH+]2C	REAL300029080734	0	58	0.0	-66.70	396.80	5.06	-61.64
C=CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C(C)C)[NH+](C)C	REAL300029080766	0	54	0.0	-65.19	382.88	4.73	-60.46
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCCC[N@@H+]2C1	REAL300029080773	0	58	0.0	-64.85	405.48	5.72	-59.13
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCCC[N@H+]2C1	REAL300029080773	1	58	0.0	-64.85	405.48	5.72	-59.13
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1(O)CC[NH+](C)CC1	REAL300029080782	0	58	0.0	-66.22	409.99	3.48	-62.74
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)[C@@H](C(C)C)C3)C=CN2C=[NH+]1	REAL300029080855	1	52	0.0	-67.75	391.72	6.79	-60.96
CC(C)[C@H]1CN(C(=O)CSCC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029080864	0	54	0.0	-71.92	409.77	5.51	-66.41
CC(C)[C@H]1CN(C(=O)C2CC3COCC[N@@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029080872	0	56	0.0	-73.52	398.19	3.40	-70.12
CC(C)[C@H]1CN(C(=O)C2CC3COCC[N@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029080872	1	56	0.0	-69.54	396.31	3.56	-65.98
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCC[N@@H+]1C	REAL300029081034	0	51	0.0	-64.53	379.55	4.62	-59.91
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCC[N@H+]1C	REAL300029081034	1	51	0.0	-66.55	375.11	4.31	-62.24
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1C[N@H+](C)CCO1	REAL300029081058	1	52	0.0	-80.16	387.90	3.93	-76.23
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1C[N@@H+](C)CCO1	REAL300029081058	1	52	0.0	-58.97	382.19	3.86	-55.11
CC(C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300029081219	0	60	0.0	-61.98	425.77	6.20	-55.78
CC(C)[N@@H+]1CCCCC1C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029081221	0	60	0.0	-61.69	411.70	5.87	-55.82
CC(C)[N@H+]1CCCCC1C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029081221	1	60	0.0	-60.50	419.06	5.97	-54.53
CC(C)[N@@H+]1CCCC1C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029081242	0	57	0.0	-61.48	410.86	5.75	-55.73
CC(C)[N@H+]1CCCC1C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029081242	1	57	0.0	-66.62	407.41	6.12	-60.50
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC2CCCC[N@@H+]2C1	REAL300029081258	0	58	0.0	-65.58	420.10	6.28	-59.30
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC2CCCC[N@H+]2C1	REAL300029081258	1	58	0.0	-63.63	420.77	6.28	-57.35
CC(C)C1=[NH+]C=CN1CC(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029081279	1	55	0.0	-59.63	421.33	6.46	-53.17
CC1=[NH+]C=CN1CC(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029081309	1	49	0.0	-59.17	385.38	5.44	-53.73
CC(C[NH+]1CCOCC1)C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029081310	0	58	0.0	-67.75	421.72	4.18	-63.57
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCC[NH+]1CCCCC1	REAL300029081326	0	60	0.0	-68.33	441.46	7.09	-61.24
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C(C)(C)[NH+]1CCCCC1	REAL300029081344	0	60	0.0	-63.96	412.50	6.03	-57.93
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1C[NH+]2CCC1CC2	REAL300029081352	0	55	0.0	-75.90	393.74	5.33	-70.57
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCCC2CCC[N@@H+]21	REAL300029081393	0	58	0.0	-60.55	416.91	6.39	-54.16
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCCC2CCC[N@H+]21	REAL300029081393	1	58	0.0	-61.19	415.88	6.35	-54.84
C[C@@H]1[C@H](C(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029081407	0	54	0.0	-73.44	392.26	4.81	-68.63
C[C@@H]1[C@H](C(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029081407	1	54	0.0	-63.45	385.68	5.36	-58.09
CC[C@@H]1[C@@H](C(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029081411	0	57	0.0	-70.07	406.59	5.28	-64.79
CC[C@@H]1[C@@H](C(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029081411	1	57	0.0	-60.93	412.19	5.73	-55.20
CC[N@@H+]1CCOC(C(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029081421	1	55	0.0	-78.52	406.40	4.74	-73.78
CC[N@H+]1CCOC(C(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029081421	1	55	0.0	-58.84	399.99	4.49	-54.35
CC[NH+](CC)CC(F)C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029081462	0	56	0.0	-61.67	417.81	5.69	-55.98
CC1CCC(C)[NH+]1CC(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029081525	0	57	0.0	-60.99	412.85	5.75	-55.24
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCC[NH+]1CCCC1	REAL300029081531	0	57	0.0	-68.86	426.37	6.44	-62.42
C#CC[NH+]1CCC(C(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029081536	0	56	0.0	-75.41	421.21	6.45	-68.96
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC[NH+]1CCCCC1	REAL300029081537	0	57	0.0	-67.28	420.42	6.31	-60.97
CC[N@@H+]1CCCCC1C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029081543	0	57	0.0	-60.40	414.12	5.92	-54.48
CC[N@H+]1CCCCC1C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029081543	1	57	0.0	-63.59	413.61	5.90	-57.69
CC(C)C[N@@H+]1CCC(C(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029081557	0	60	0.0	-66.69	436.27	6.51	-60.18
CC(C)C[N@H+]1CCC(C(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029081557	1	60	0.0	-64.66	438.74	6.59	-58.07
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1([NH+](C)C)CCC1	REAL300029081561	0	54	0.0	-61.49	381.90	4.72	-56.77
CC(C)[N@@H+]1CCCC1CC(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029081563	0	60	0.0	-63.36	430.74	6.23	-57.13
CC(C)[N@H+]1CCCC1CC(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029081563	1	60	0.0	-56.65	425.22	6.34	-50.31
CC(C)[C@@H](C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029081576	0	56	0.0	-62.79	399.39	5.67	-57.12
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@H+](C)C1CCC1	REAL300029081617	0	54	0.0	-62.73	402.18	5.81	-56.92
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@@H+](C)C1CCC1	REAL300029081617	1	54	0.0	-61.25	402.04	5.80	-55.45
CC(C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300029081676	0	60	0.0	-61.39	422.38	5.99	-55.40
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029081735	1	53	0.0	-59.07	397.84	5.58	-53.49
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029081735	1	53	0.0	-65.75	405.69	5.86	-59.89
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCC1CCC[N@@H+]1C	REAL300029081741	0	57	0.0	-64.41	417.26	5.78	-58.63
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCC1CCC[N@H+]1C	REAL300029081741	1	57	0.0	-65.95	422.78	6.26	-59.69
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C12CCC[NH+](CCC1)C2	REAL300029081750	0	58	0.0	-66.69	404.06	5.42	-61.27
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCC2CCCC[N@@H+]21	REAL300029081753	0	58	0.0	-61.19	419.60	6.51	-54.68
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCC2CCCC[N@H+]21	REAL300029081753	1	58	0.0	-58.97	415.21	6.20	-52.77
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCCC[NH+]1CCCC1	REAL300029081769	0	60	0.0	-69.51	447.74	7.20	-62.31
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC[NH+](C)CC1	REAL300029081780	0	54	0.0	-69.00	396.99	5.33	-63.67
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300029081815	1	53	0.0	-72.37	411.37	5.02	-67.35
CC1=C(C(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300029081816	0	52	0.0	-65.25	408.67	7.30	-57.95
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCCC[N@@H+]1C	REAL300029081847	0	54	0.0	-69.07	390.33	5.17	-63.90
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCCC[N@H+]1C	REAL300029081847	1	54	0.0	-68.52	389.41	4.99	-63.53
CC(C)C[N@@H+]1CCCC1C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029081869	0	60	0.0	-60.61	437.96	6.70	-53.91
CC(C)C[N@H+]1CCCC1C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029081869	1	60	0.0	-62.06	437.02	6.85	-55.21
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300029081969	0	49	0.0	-74.52	390.75	7.12	-67.40
CC1=[NH+]C=CN1CCCC(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029081977	1	55	0.0	-67.14	427.51	6.80	-60.34
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC[NH+]1CCOCC1	REAL300029081982	1	55	0.0	-69.53	410.93	3.88	-65.65
CC1=C[NH+]=CN1CC(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029082012	1	49	0.0	-60.56	384.38	6.03	-54.53
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C12CCC[NH+]1CCC2	REAL300029082051	0	55	0.0	-62.27	392.52	5.10	-57.17
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCCC([NH+](C)C)C1	REAL300029082075	0	60	0.0	-59.94	424.09	6.20	-53.74
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1CC[N@H+](C)C1	REAL300029082078	0	54	0.0	-70.05	402.76	5.36	-64.69
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1CC[N@@H+](C)C1	REAL300029082078	1	54	0.0	-70.03	403.19	5.48	-64.55
CN(C)C1=CC=[NH+]C=C1C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029082090	0	53	0.0	-75.34	406.24	3.79	-71.55
CCC(C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029082095	0	53	0.0	-59.23	382.59	4.65	-54.58
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1([NH+](C)C)CCCC1	REAL300029082107	0	60	0.0	-69.33	420.24	6.31	-63.02
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300029082148	1	49	0.0	-73.29	390.88	7.15	-66.14
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCCC[NH+](C)C	REAL300029082202	0	56	0.0	-69.50	420.69	5.89	-63.61
CC(C)C(C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029082222	0	56	0.0	-69.46	397.90	5.23	-64.23
CCC[N@H+](C)CCC(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029082224	0	56	0.0	-68.87	417.69	5.71	-63.16
CCC[N@@H+](C)CCC(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029082224	1	56	0.0	-68.64	417.69	5.73	-62.91
CCC[N@H+](C)CC(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029082229	0	53	0.0	-66.34	395.79	5.27	-61.07
CCC[N@@H+](C)CC(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029082229	1	53	0.0	-63.70	394.91	5.14	-58.56
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C12CC[N@H+](C1)CCC2	REAL300029082252	0	55	0.0	-70.86	387.49	4.51	-66.35
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C12CC[N@@H+](C1)CCC2	REAL300029082252	1	55	0.0	-70.75	387.18	4.56	-66.19
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300029082288	0	51	0.0	-60.86	380.75	4.67	-56.19
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)[C@H]1CCC[N@H+]1C	REAL300029082288	1	51	0.0	-67.84	375.24	4.22	-63.62
CCCCCC[N@H+](C)CC(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029082345	0	62	0.0	-67.44	460.28	7.62	-59.82
CCCCCC[N@@H+](C)CC(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029082345	1	62	0.0	-65.07	459.67	7.59	-57.48
CC[NH+](CC)C(C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300029082349	0	62	0.0	-62.23	427.95	6.23	-56.00
CC[NH+](CC)CC(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029082358	0	53	0.0	-64.26	391.88	5.17	-59.09
CCC[N@@H+]1CCCC(C(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029082390	0	60	0.0	-60.89	428.31	6.66	-54.23
CCC[N@H+]1CCCC(C(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029082390	1	60	0.0	-59.97	429.53	6.77	-53.20
CC(C)[N@@H+]1CCOC(C(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029082405	0	58	0.0	-78.96	413.51	4.95	-74.01
CC(C)[N@H+]1CCOC(C(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029082405	1	58	0.0	-69.31	423.52	5.20	-64.11
CC1CC[NH+](CC(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029082434	0	57	0.0	-65.87	419.09	6.22	-59.65
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)COC1CC[NH+](C)CC1	REAL300029082460	0	58	0.0	-75.27	435.28	5.80	-69.47
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1(C[NH+](C)C)CC1	REAL300029082471	0	54	0.0	-72.70	403.83	5.47	-67.23
CC(C)[NH+]1CCC(C(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029082544	0	60	0.0	-70.69	426.66	6.20	-64.49
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC[NH+](C)CC1	REAL300029082562	0	54	0.0	-69.00	396.99	5.33	-63.67
CC(C)[C@H](C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029082580	0	56	0.0	-66.11	399.06	5.18	-60.93
CCC(C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029082611	0	59	0.0	-58.98	415.99	5.76	-53.22
CC[N@H+](C)CCC(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029082667	0	53	0.0	-68.19	396.19	4.97	-63.22
CC[N@@H+](C)CCC(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029082667	1	53	0.0	-68.00	396.19	4.99	-63.01
CC1CCC[N@@H+]1CC(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029082723	0	54	0.0	-61.03	401.72	5.39	-55.64
CC1CCC[N@H+]1CC(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029082723	1	54	0.0	-61.82	394.35	5.18	-56.64
CC1CC[N@H+](CC(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029082725	0	54	0.0	-65.14	402.45	5.39	-59.75
CC1CC[N@@H+](CC(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029082725	1	54	0.0	-63.00	401.62	5.54	-57.46
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300029082729	0	57	0.0	-63.20	420.97	5.95	-57.25
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@H+]1CCC(C)(C)C1	REAL300029082729	1	57	0.0	-63.22	420.56	5.95	-57.27
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@H+](C)CC(C)(C)C	REAL300029082730	0	59	0.0	-62.66	425.91	6.26	-56.40
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@@H+](C)CC(C)(C)C	REAL300029082730	1	59	0.0	-63.16	424.46	6.24	-56.92
CC[C@@H](C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029082738	0	53	0.0	-59.50	382.62	4.63	-54.87
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1(O)CC[NH+](C)CC1	REAL300029082895	0	58	0.0	-67.29	426.32	4.06	-63.23
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[NH+](C)C	REAL300029082907	0	47	0.0	-64.55	355.32	3.70	-60.85
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[NH+]1CCC(CO)CC1	REAL300029082911	0	58	0.0	-67.33	430.04	2.88	-64.45
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[NH+]1CCCCCC1	REAL300029082912	0	57	0.0	-62.10	407.02	5.89	-56.21
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N+]1=CN(C)C=C1	REAL300029082916	0	49	0.0	-65.85	387.78	7.38	-58.47
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCC[N@H+](C)C1	REAL300029082923	0	54	0.0	-60.15	390.39	5.36	-54.79
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCC[N@@H+](C)C1	REAL300029082923	1	54	0.0	-65.45	395.53	5.18	-60.27
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCC[N@@H+]1C1CC1	REAL300029082928	0	55	0.0	-60.44	406.63	5.66	-54.78
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCC[N@H+]1C1CC1	REAL300029082928	1	55	0.0	-64.96	405.79	5.62	-59.34
CC(C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029082955	1	51	0.0	-62.92	382.42	4.59	-58.33
CCC(CC(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029082960	0	59	0.0	-66.57	431.40	6.47	-60.10
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C(C)(C)C[NH+](C)C	REAL300029082967	0	56	0.0	-63.53	392.01	4.98	-58.55
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300029082984	0	56	0.0	-60.83	408.22	5.87	-54.96
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300029082984	1	56	0.0	-67.82	404.01	6.34	-61.48
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[NH+]1CCC(O)CC1	REAL300029082992	1	55	0.0	-69.89	409.32	2.26	-67.63
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@H+](C)C1CC1	REAL300029082993	0	51	0.0	-63.25	385.81	5.25	-58.00
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@@H+](C)C1CC1	REAL300029082993	1	51	0.0	-62.85	385.35	5.12	-57.73
CC(C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300029082994	1	59	0.0	-71.80	430.01	3.68	-68.12
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1C[NH+](C)C1	REAL300029083012	0	51	0.0	-66.91	387.99	4.72	-62.19
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC[N@@H+]1C1CCCC1	REAL300029083016	0	58	0.0	-65.39	407.17	5.88	-59.51
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC[N@H+]1C1CCCC1	REAL300029083016	1	58	0.0	-65.64	425.17	6.45	-59.19
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300029083024	0	57	0.0	-61.67	392.76	4.73	-56.94
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC[N@H+]1C(C)(C)C	REAL300029083024	1	57	0.0	-64.78	397.88	4.65	-60.13
C[C@@H](C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029083035	0	50	0.0	-64.88	372.83	4.15	-60.73
CCC1CCC[N@H+](CC(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029083074	0	60	0.0	-65.79	430.37	6.91	-58.88
CCC1CCC[N@@H+](CC(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029083074	1	60	0.0	-65.53	437.41	6.94	-58.59
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC=C(C[NH+](C)C)N1	REAL300029083081	0	55	0.0	-81.14	417.56	5.19	-75.95
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CN1C=CSC1=[NH2+]	REAL300029083122	0	47	0.0	-56.70	383.01	4.02	-52.68
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC[N@H+](C)CCO	REAL300029083132	0	54	0.0	-67.28	406.54	1.77	-65.51
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC[N@@H+](C)CCO	REAL300029083132	1	54	0.0	-68.21	406.38	1.77	-66.44
C[C@@H](C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029083133	0	50	0.0	-64.88	372.83	4.15	-60.73
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)[C@H]1CCCC[N@@H+]1C	REAL300029083137	0	54	0.0	-58.58	392.09	5.18	-53.40
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)[C@H]1CCCC[N@H+]1C	REAL300029083137	1	54	0.0	-60.35	384.09	4.78	-55.57
CC1CN2CC[N@@H+]1CC2C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029083145	0	57	0.0	-63.22	405.40	2.38	-60.84
CC1CN2CC[N@H+]1CC2C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029083145	1	57	0.0	-62.33	394.84	2.09	-60.24
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1=CC2=C[NH+]=CN2C=C1	REAL300029083187	0	52	0.0	-66.17	409.73	7.93	-58.24
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@H+](C)C1CCSC1	REAL300029083210	0	55	0.0	-70.37	415.88	6.09	-64.28
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@@H+](C)C1CCSC1	REAL300029083210	1	55	0.0	-70.08	415.44	5.96	-64.12
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[NH+]1CCC1	REAL300029083211	1	48	0.0	-63.84	366.02	4.25	-59.59
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C=C1CC[N@H+](C)C1	REAL300029083241	0	52	0.0	-71.17	394.18	5.30	-65.87
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C=C1CC[N@@H+](C)C1	REAL300029083241	1	52	0.0	-71.84	393.26	5.30	-66.54
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)COCC[NH+](C)C	REAL300029083274	0	54	0.0	-68.49	411.19	4.75	-63.74
CCCCC[N@H+](C)CCC(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029083280	0	62	0.0	-69.72	460.68	7.27	-62.45
CCCCC[N@@H+](C)CCC(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029083280	1	62	0.0	-69.47	460.68	7.29	-62.18
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300029083289	0	58	0.0	-71.01	432.54	5.67	-65.34
C=CCC(C)(C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029083296	0	57	0.0	-56.59	398.72	5.15	-51.44
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C(O)CC[S+](C)C	REAL300029083301	0	53	0.0	-66.09	415.27	3.07	-63.02
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1(C)CC(O)C[N@@H+]1C	REAL300029083326	0	55	0.0	-64.21	393.55	1.42	-62.79
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CN(C)CC[N@H+](C)C1	REAL300029083336	0	59	0.0	-65.42	423.41	3.71	-61.71
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CN(C)CC[N@@H+](C)C1	REAL300029083336	1	59	0.0	-65.42	423.41	3.71	-61.71
CC(C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300029083337	0	58	0.0	-65.68	422.17	2.85	-62.83
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1(O)CCC[N@H+](C)C1	REAL300029083355	0	58	0.0	-66.78	417.10	4.06	-62.72
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1(O)CCC[N@@H+](C)C1	REAL300029083355	1	58	0.0	-66.78	417.10	4.06	-62.72
CC1CN(CC(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029083358	0	51	0.0	-64.00	387.20	4.92	-59.08
CC1C[NH+](CC(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029083358	1	51	0.0	-64.00	387.20	4.92	-59.08
CN(CCO)CC(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029083384	0	51	0.0	-65.95	384.02	1.26	-64.69
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@H+](C)CCO	REAL300029083384	1	51	0.0	-67.35	384.74	1.25	-66.10
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@@H+](C)CCO	REAL300029083384	1	51	0.0	-67.35	384.74	1.25	-66.10
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1C[N@@H+]2CCN1CCC2	REAL300029083406	0	57	0.0	-80.85	398.14	3.15	-77.70
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1C[N@H+]2CCN1CCC2	REAL300029083406	1	57	0.0	-80.85	398.14	3.15	-77.70
CC[N@@H+]1CCCC(C(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029083412	0	57	0.0	-63.78	412.97	5.75	-58.03
CC[N@H+]1CCCC(C(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029083412	1	57	0.0	-63.78	412.97	5.75	-58.03
CC(CC(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029083414	0	56	0.0	-68.86	412.52	5.75	-63.11
CC[N@H+](C)CC(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029083425	0	50	0.0	-63.69	373.68	4.50	-59.19
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C12CCC[N@@H+]1CCCC2	REAL300029083449	0	58	0.0	-62.39	403.88	5.37	-57.02
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C12CCC[N@H+]1CCCC2	REAL300029083449	1	58	0.0	-62.39	403.88	5.37	-57.02
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C12CCC[N@@H+]1CC=CC2	REAL300029083454	0	56	0.0	-59.46	394.23	5.37	-54.09
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C12CCC[N@H+]1CC=CC2	REAL300029083454	1	56	0.0	-59.46	394.23	5.37	-54.09
CC[N@H+](CC(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029083474	0	54	0.0	-61.45	402.10	5.83	-55.62
CC[NH+](CC)CCC(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029083490	0	56	0.0	-66.86	408.93	5.39	-61.47
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CN1CC(C)(C)C1	REAL300029083513	0	54	0.0	-63.97	406.28	5.34	-58.63
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[NH+]1CC(C)(C)C1	REAL300029083513	1	54	0.0	-63.97	406.28	5.34	-58.63
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300029083538	0	55	0.0	-63.72	411.91	2.24	-61.48
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C=CC[NH+](C)C	REAL300029083545	0	51	0.0	-68.46	391.72	4.98	-63.48
CC(OCC[NH+](C)C)C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029083566	0	57	0.0	-65.58	427.90	5.22	-60.36
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCOCC[NH+](C)C	REAL300029083574	0	57	0.0	-66.12	431.97	4.53	-61.59
COCCN(C)CC(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029083575	0	54	0.0	-67.64	406.98	3.65	-63.99
COCC[N@H+](C)CC(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029083575	1	54	0.0	-66.22	406.28	3.66	-62.56
COCC[N@@H+](C)CC(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029083575	1	54	0.0	-66.22	406.28	3.66	-62.56
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1([NH+](C)C)CCCC1	REAL300029083608	0	57	0.0	-62.18	393.00	5.37	-56.81
CC(CCC(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029083611	0	56	0.0	-71.80	408.90	5.49	-66.31
CCN1CCC1C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029083618	0	51	0.0	-64.80	379.63	4.36	-60.44
CC[N@@H+]1CCC1C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029083618	1	51	0.0	-64.14	385.84	4.62	-59.52
CC[N@H+]1CCC1C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029083618	1	51	0.0	-64.14	385.84	4.62	-59.52
CC(C)[N@@H+]1CCCC(C(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029083628	0	60	0.0	-55.97	415.90	6.38	-49.59
CC(C)[N@H+]1CCCC(C(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029083628	1	60	0.0	-55.97	415.90	6.38	-49.59
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@@H+]1CCCC1CO	REAL300029083641	0	55	0.0	-63.19	410.25	2.27	-60.92
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC2CCCC[N@@H+]2C1	REAL300029083663	0	58	0.0	-63.63	420.77	6.28	-57.35
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC2CCCC[N@H+]2C1	REAL300029083663	1	58	0.0	-63.63	420.77	6.28	-57.35
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1(C)CC[NH+](C)CC1	REAL300029083669	0	57	0.0	-70.28	403.92	5.44	-64.84
C=CCC(C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029083697	0	54	0.0	-58.41	393.42	5.04	-53.37
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300029083707	0	57	0.0	-67.43	415.68	5.34	-62.09
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC(C)(C)C[N@H+]1C	REAL300029083707	1	57	0.0	-67.43	415.68	5.34	-62.09
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCCCC[NH+](C)C	REAL300029083711	0	59	0.0	-69.80	442.18	6.67	-63.13
CC1C[N@@H+]2CCN1C(C(=O)N(C)CC1CCCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029083745	0	57	0.0	-78.24	405.13	2.51	-75.73
CCCC(C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029083746	0	56	0.0	-59.60	401.96	5.33	-54.27
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C(C)(C)[NH+](C)C	REAL300029083750	0	53	0.0	-69.58	375.61	4.08	-65.50
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCCC[N@@H+]1C	REAL300029083788	0	54	0.0	-68.52	389.41	4.99	-63.53
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1=CC[N@H+](C)CC1	REAL300029083821	0	55	0.0	-66.64	415.55	6.21	-60.43
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1=CC[N@@H+](C)CC1	REAL300029083821	1	55	0.0	-66.64	415.55	6.21	-60.43
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1([NH+]2CCCC2)CC1	REAL300029083830	0	58	0.0	-62.72	421.75	6.58	-56.14
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300029083874	1	54	0.0	-77.58	417.48	5.65	-71.93
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C=CC[NH+]1CCCC1	REAL300029083890	0	55	0.0	-70.23	418.03	6.31	-63.92
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC[NH+](C2CC2)CC1	REAL300029083911	0	58	0.0	-68.04	422.57	6.42	-61.62
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1([NH+](C)C)CC1	REAL300029083930	0	51	0.0	-65.18	380.06	4.47	-60.71
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC[NH+]1CCCC1	REAL300029083932	0	54	0.0	-67.74	404.42	5.48	-62.26
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1C[NH+]2CCN1CC2	REAL300029083966	0	54	0.0	-76.99	389.21	1.86	-75.13
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C12CC(C1)C[N@@H+]2C	REAL300029083976	0	52	0.0	-65.91	381.06	5.10	-60.81
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C12CC(C1)C[N@H+]2C	REAL300029083976	1	52	0.0	-70.11	382.88	4.81	-65.30
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@@H+]1CC2CCC1C2	REAL300029083988	0	55	0.0	-64.16	403.26	5.92	-58.24
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@H+]1CC2CCC1C2	REAL300029083988	1	55	0.0	-62.75	400.73	5.70	-57.05
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C=C1C[NH+]2CCC1CC2	REAL300029084029	0	56	0.0	-66.06	411.88	6.29	-59.77
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@@H+]1CC2C=CC1C2	REAL300029084039	1	53	0.0	-61.82	395.47	5.71	-56.11
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@H+]1CC2C=CC1C2	REAL300029084039	1	53	0.0	-62.56	394.69	5.57	-56.99
CC[NH+]1CCN(CC(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029084070	0	59	0.0	-68.91	432.41	3.87	-65.04
CC(C[NH+](C)C)C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029084087	0	53	0.0	-67.81	388.82	4.72	-63.09
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1CCCC[N@@H+]1C	REAL300029084157	0	57	0.0	-57.22	408.18	5.92	-51.30
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1CCCC[N@H+]1C	REAL300029084157	1	57	0.0	-53.67	407.43	5.82	-47.85
CC1=C2C=C(C(=O)N(C)CC3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029084173	1	52	0.0	-70.49	412.79	7.71	-62.78
CC(C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300029084174	0	54	0.0	-64.21	402.63	5.25	-58.96
CC1CC[N@@H+]1CC(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029084177	1	51	0.0	-64.10	382.77	4.71	-59.39
CC1CC[N@H+]1CC(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029084177	1	51	0.0	-64.22	382.20	4.62	-59.60
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC(O)C[NH+](C)C	REAL300029084181	0	54	0.0	-70.07	407.93	2.73	-67.34
CC1C[N@H+](C)CC(C(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029084208	1	55	0.0	-81.80	402.54	4.41	-77.39
CC1C[N@@H+](C)CC(C(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029084208	1	55	0.0	-71.00	403.67	4.70	-66.30
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC[NH+]1CCC(O)CC1	REAL300029084217	0	58	0.0	-71.24	431.05	2.91	-68.33
CCC[N@@H+]1CCCCC1C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029084219	0	60	0.0	-61.24	434.74	6.67	-54.57
CCC[N@H+]1CCCCC1C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029084219	1	60	0.0	-59.81	423.83	6.02	-53.79
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300029084289	0	54	0.0	-70.38	405.24	5.57	-64.81
CC(CC[NH+](C)C)C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029084297	0	56	0.0	-64.69	413.02	5.40	-59.29
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300029084317	0	58	0.0	-64.84	427.40	3.04	-61.80
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O	REAL300029084317	1	58	0.0	-62.46	426.46	3.12	-59.34
C#CC[N@H+]1CCCCC1C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029084323	1	56	0.0	-61.98	409.97	6.00	-55.98
C#CC[N@@H+]1CCCCC1C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029084323	1	56	0.0	-59.50	421.76	6.53	-52.97
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CN1CC[NH+](C)CC1	REAL300029084326	1	56	0.0	-70.27	415.19	3.23	-67.04
CC[NH+]1CCN(CC(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029084335	0	59	0.0	-68.91	432.41	3.87	-65.04
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CSC(N)=[NH2+]	REAL300029084359	0	45	0.0	-68.01	363.85	0.67	-67.34
CC[N@@H+]1CCOCC1CC(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029084394	0	58	0.0	-68.66	424.89	4.47	-64.19
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCC([NH+](C)C)CC1	REAL300029084409	0	60	0.0	-56.41	424.23	6.23	-50.18
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1(CC[NH+](C)C)CC1	REAL300029084410	0	57	0.0	-76.08	428.67	6.34	-69.74
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300029084412	0	60	0.0	-52.38	419.78	6.17	-46.21
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1CC=CC[N@@H+]1C	REAL300029084413	0	55	0.0	-67.70	407.89	5.93	-61.77
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1CC=CC[N@H+]1C	REAL300029084413	1	55	0.0	-67.70	407.89	5.93	-61.77
C[C@@H](OCC[NH+](C)C)C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029084434	0	57	0.0	-70.31	428.58	5.34	-64.97
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC2CCC(C1)[NH+]2C	REAL300029084460	0	58	0.0	-70.76	390.58	5.76	-65.00
CC(C(=O)N(C)CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300029084566	1	55	0.0	-67.77	414.35	5.81	-61.96
CCC1C[NH+](CC(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029084568	0	54	0.0	-66.68	409.03	5.73	-60.95
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1([NH+]2CCCC2)CCC1	REAL300029084570	0	58	0.0	-61.00	397.90	6.14	-54.86
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300029084579	0	51	0.0	-61.20	375.50	4.26	-56.94
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300029084579	1	51	0.0	-64.31	380.43	4.65	-59.66
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC[N@H+]1CCC(F)C1	REAL300029084586	1	54	0.0	-71.46	410.62	5.67	-65.79
COC1C[N@@H+](C)C(C)(C(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029084594	1	58	0.0	-62.54	415.66	3.54	-59.00
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC[NH+]1CCCCCC1	REAL300029084602	0	60	0.0	-69.95	430.11	6.39	-63.56
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[NH+]1CCCCC1	REAL300029084604	0	54	0.0	-63.96	397.48	5.63	-58.33
CC1C(C(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029084614	0	54	0.0	-64.51	390.63	5.01	-59.50
CC1C(C(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029084614	1	54	0.0	-69.58	392.92	4.83	-64.75
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCC1CCCC[N@@H+]1C	REAL300029084616	0	60	0.0	-63.53	436.95	6.76	-56.77
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCC1CCCC[N@H+]1C	REAL300029084616	1	60	0.0	-66.26	438.07	6.83	-59.43
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC[N@@H+]2CCOCC12	REAL300029084644	0	56	0.0	-64.31	403.58	4.21	-60.10
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC[N@H+]2CCOCC12	REAL300029084644	1	56	0.0	-65.62	404.21	3.98	-61.64
CC1=[NH+]C=C2C=CC(C(=O)N(C)CC3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300029084649	0	52	0.0	-62.75	413.76	7.04	-55.71
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1COCCN1C	REAL300029084663	0	55	0.0	-65.34	399.04	3.52	-61.82
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1COCC[N@@H+]1C	REAL300029084663	1	55	0.0	-55.89	398.75	3.51	-52.38
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1COCC[N@H+]1C	REAL300029084663	1	55	0.0	-65.34	399.04	3.52	-61.82
CC1=C(C)[NH+]=C(CCC(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029084671	1	55	0.0	-62.68	426.33	5.04	-57.64
CN(CC1CCCN(C(=O)C2CCC[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029084841	1	51	0.0	-68.91	378.15	4.70	-64.21
CN(CC1CCCN(C(=O)C2C[N@H+](C)CCO2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029084867	1	52	0.0	-80.87	388.19	4.17	-76.70
CN(CC1CCCN(C(=O)C2C[N@@H+](C)CCO2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029084867	1	52	0.0	-78.55	389.17	4.15	-74.40
CC1=[NH+]C=CN1CCCC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029085027	1	55	0.0	-71.61	427.30	6.89	-64.72
CN(CC1CCCN(C(=O)CC[NH+]2CCOCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029085032	1	55	0.0	-77.67	412.24	4.02	-73.65
CN(CC1CCCN(C(=O)C23CCC[NH+]2CCC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029085057	0	55	0.0	-69.25	394.44	5.28	-63.97
CN(CC1CCCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029085066	1	49	0.0	-84.92	390.97	7.26	-77.66
CN(CC1CCCN(C(=O)C2CCCC([NH+](C)C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029085120	0	60	0.0	-68.05	424.88	6.30	-61.75
CN(CC1CCCN(C(=O)CC2CC[N@H+](C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029085123	0	54	0.0	-73.62	402.69	5.62	-68.00
CN(CC1CCCN(C(=O)CC2CC[N@@H+](C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029085123	1	54	0.0	-74.12	401.70	5.59	-68.53
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029085135	0	53	0.0	-65.78	406.74	3.86	-61.92
CCC(C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029085140	0	53	0.0	-68.91	380.98	4.74	-64.17
CN(CC1CCCN(C(=O)CCCC[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029085202	0	56	0.0	-77.68	422.34	6.14	-71.54
CC(C)C(C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029085224	0	56	0.0	-71.04	398.36	5.39	-65.65
CCC[N@H+](C)CCC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029085226	0	56	0.0	-76.01	418.51	5.94	-70.07
CCC[N@@H+](C)CCC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029085226	1	56	0.0	-76.12	418.51	5.95	-70.17
CCC[N@H+](C)CC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029085231	0	53	0.0	-72.55	396.14	5.33	-67.22
CCC[N@@H+](C)CC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029085231	1	53	0.0	-71.58	395.24	5.36	-66.22
CN(CC1CCCN(C(=O)C23CC[N@H+](C2)CCC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029085254	0	55	0.0	-72.75	389.83	4.75	-68.00
CN(CC1CCCN(C(=O)C23CC[N@@H+](C2)CCC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029085254	1	55	0.0	-76.68	389.27	4.77	-71.91
CCCCCC[N@H+](C)CC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029085286	0	62	0.0	-73.78	460.64	7.68	-66.10
CCCCCC[N@@H+](C)CC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029085286	1	62	0.0	-72.78	459.76	7.71	-65.07
CC[NH+](CC)C(C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300029085290	0	62	0.0	-63.63	432.70	6.59	-57.04
CC1CC[NH+](CC(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029085322	0	57	0.0	-72.86	419.50	6.41	-66.45
CN(CC1CCCN(C(=O)COC2CC[NH+](C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029085348	0	58	0.0	-85.99	436.36	6.04	-79.95
CN(CC1CCCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029085390	0	58	0.0	-77.88	421.18	6.52	-71.36
CN(CC1CCCN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029085390	1	58	0.0	-70.79	423.33	6.57	-64.22
CN(CC1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029085401	0	54	0.0	-69.30	404.42	5.48	-63.82
CC(C)[NH+]1CCC(C(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029085412	0	60	0.0	-74.06	431.04	6.46	-67.60
CC[N@H+](C)CCC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029085433	0	53	0.0	-75.29	397.01	5.20	-70.09
CC[N@@H+](C)CCC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029085433	1	53	0.0	-75.45	397.01	5.19	-70.26
CN(CC1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029085459	0	60	0.0	-66.26	418.52	6.24	-60.02
CN(CC1CCCN(C(=O)C2C[NH+]3CCC2CC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029085467	0	55	0.0	-76.76	393.42	5.47	-71.29
CN(CC1CCCN(C(=O)C2CC[NH+](C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029085542	0	54	0.0	-75.43	397.72	5.39	-70.04
CC(C)[C@H](C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029085560	0	56	0.0	-74.42	395.90	5.41	-69.01
CC[NH+](CC)CC(F)C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029085646	0	56	0.0	-76.51	417.48	5.87	-70.64
CC(C)C[N@@H+]1CCC(C(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029085678	0	60	0.0	-71.41	437.06	6.77	-64.64
CC(C)C[N@H+]1CCC(C(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029085678	1	60	0.0	-78.61	438.82	6.74	-71.87
CN(CC1CCCN(C(=O)C2([NH+](C)C)CCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029085682	0	54	0.0	-70.70	380.81	4.92	-65.78
CCC(C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029085713	0	59	0.0	-67.67	418.46	6.49	-61.18
CC1CCC[N@@H+]1CC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029085733	0	54	0.0	-68.05	402.33	5.57	-62.48
CC1CCC[N@H+]1CC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029085733	1	54	0.0	-69.71	401.49	5.71	-64.00
CC(C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300029085788	0	60	0.0	-68.33	421.27	6.29	-62.04
CC(C)[N@@H+]1CCCCC1C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029085790	0	60	0.0	-67.35	418.90	6.12	-61.23
CC(C)[N@H+]1CCCCC1C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029085790	1	60	0.0	-65.49	420.17	6.16	-59.33
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029085811	0	57	0.0	-66.27	411.66	5.81	-60.46
CC(C)[N@H+]1CCCC1C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029085811	1	57	0.0	-67.82	405.97	6.17	-61.65
CC(C)[N@@H+]1CCCC1CC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029085817	0	60	0.0	-64.58	427.30	6.17	-58.41
CC(C)[N@H+]1CCCC1CC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029085817	1	60	0.0	-65.26	425.03	6.05	-59.21
CC(C)[C@@H](C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029085830	0	56	0.0	-68.44	398.67	5.61	-62.83
CC1CC[N@H+](CC(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029085850	0	54	0.0	-71.42	401.67	5.62	-65.80
CC1CC[N@@H+](CC(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029085850	1	54	0.0	-71.71	402.51	5.66	-66.05
CN(CC1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029085854	0	57	0.0	-70.52	420.32	6.18	-64.34
CN(CC1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029085854	1	57	0.0	-71.40	421.57	6.17	-65.23
CN(CC1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029085855	0	59	0.0	-71.00	425.68	6.52	-64.48
CN(CC1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029085855	1	59	0.0	-71.32	423.56	6.36	-64.96
CC[C@@H](C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029085863	0	53	0.0	-68.13	380.21	4.76	-63.37
CC1=[NH+]C=CN1CC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029086053	1	49	0.0	-67.61	385.73	5.46	-62.15
CC(C[NH+]1CCOCC1)C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029086054	0	58	0.0	-76.45	425.19	4.45	-72.00
CN(CC1CCCN(C(=O)CCC[NH+]2CCCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086070	0	60	0.0	-75.29	442.47	7.24	-68.05
CN(CC1CCCN(C(=O)C2=NOC(C[NH+](C)C)=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086085	1	53	0.0	-83.26	412.41	5.20	-78.06
CC1=C(C(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300029086086	0	52	0.0	-82.33	408.43	7.49	-74.84
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029086120	1	55	0.0	-67.00	422.98	6.64	-60.36
CN(CC1CCCN(C(=O)C2CCCC3CCC[N@@H+]32)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086151	0	58	0.0	-67.00	408.72	5.98	-61.02
CN(CC1CCCN(C(=O)C2CCCC3CCC[N@H+]32)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086151	1	58	0.0	-69.28	408.81	6.37	-62.91
CC[N@@H+]1CCOC(C(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029086168	1	55	0.0	-73.26	399.77	4.69	-68.57
CC[N@H+]1CCOC(C(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029086168	1	55	0.0	-80.66	400.74	4.65	-76.01
CN(CC1CCCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086219	0	49	0.0	-83.15	390.86	7.20	-75.95
CC1=C[NH+]=CN1CC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029086224	1	49	0.0	-72.58	386.05	6.20	-66.38
C[C@@H]1[C@H](C(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029086238	0	54	0.0	-73.95	391.61	4.90	-69.05
C[C@@H]1[C@H](C(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029086238	1	54	0.0	-72.55	395.22	5.32	-67.23
CC[C@@H]1[C@@H](C(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029086242	0	57	0.0	-75.71	415.00	5.62	-70.09
CC[C@@H]1[C@@H](C(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029086242	1	57	0.0	-76.87	414.65	5.79	-71.08
CC1CCC(C)[NH+]1CC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029086253	0	57	0.0	-68.27	413.42	5.83	-62.44
CN(CC1CCCN(C(=O)CCC[NH+]2CCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086259	0	57	0.0	-74.73	425.21	6.43	-68.30
C#CC[NH+]1CCC(C(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029086265	0	56	0.0	-78.88	425.55	6.71	-72.17
CN(CC1CCCN(C(=O)CC[NH+]2CCCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086266	0	57	0.0	-74.55	420.97	6.43	-68.12
CC[N@@H+]1CCCCC1C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029086273	0	57	0.0	-68.31	403.87	5.72	-62.59
CC[N@H+]1CCCCC1C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029086273	1	57	0.0	-70.09	414.56	6.12	-63.97
CN(CC1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086313	0	60	0.0	-77.36	420.81	6.46	-70.90
CN(CC1CCCN(C(=O)C[N@H+](C)C2CCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086454	0	54	0.0	-69.22	402.15	5.94	-63.28
CN(CC1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086454	1	54	0.0	-69.53	402.43	5.92	-63.61
CC(C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300029086476	0	60	0.0	-67.28	425.84	6.25	-61.03
CN(CC1CCCN(C(=O)CCCC[NH+]2CCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086488	0	60	0.0	-76.12	448.29	7.32	-68.80
CN(CC1CCCN(C(=O)C2CC[NH+](C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086499	0	54	0.0	-75.43	397.72	5.39	-70.04
CN(CC1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086540	0	51	0.0	-70.52	378.82	4.77	-65.75
CN(CC1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086540	1	51	0.0	-69.62	374.93	4.48	-65.14
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029086563	1	53	0.0	-66.87	402.86	5.73	-61.14
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029086563	1	53	0.0	-69.51	405.20	6.06	-63.45
CN(CC1CCCN(C(=O)CCC2CCC[N@@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086569	0	57	0.0	-71.46	416.61	5.96	-65.50
CN(CC1CCCN(C(=O)CCC2CCC[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086569	1	57	0.0	-79.17	423.72	6.47	-72.70
CN(CC1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086578	0	58	0.0	-77.83	404.95	5.60	-72.23
CN(CC1CCCN(C(=O)C2CCC3CCCC[N@@H+]32)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086581	0	58	0.0	-65.69	423.35	6.72	-58.97
CN(CC1CCCN(C(=O)C2CCC3CCCC[N@H+]32)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086581	1	58	0.0	-66.90	415.88	6.37	-60.53
CCC[N@@H+]1CCCC(C(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029086650	0	60	0.0	-70.69	430.14	6.86	-63.83
CCC[N@H+]1CCCC(C(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029086650	1	60	0.0	-65.73	430.52	7.01	-58.72
CC(C)[N@@H+]1CCOC(C(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029086665	1	58	0.0	-84.76	424.40	5.33	-79.43
CC(C)[N@H+]1CCOC(C(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029086665	1	58	0.0	-83.99	423.75	5.33	-78.66
CN(CC1CCCN(C(=O)C2CCCC[N@@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086688	0	54	0.0	-66.99	395.95	5.49	-61.50
CN(CC1CCCN(C(=O)C2CCCC[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086688	1	54	0.0	-68.82	385.45	5.01	-63.81
CC(C)C[N@@H+]1CCCC1C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029086711	0	60	0.0	-69.94	434.81	6.78	-63.16
CC(C)C[N@H+]1CCCC1C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029086711	1	60	0.0	-67.75	433.90	6.53	-61.22
CN(CC1CCCN(C(=O)C[NH+]2CCC(CO)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086726	0	58	0.0	-73.73	430.33	3.10	-70.63
CC1C(C(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029086769	0	54	0.0	-71.22	397.44	5.24	-65.98
CC1C(C(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029086769	1	54	0.0	-70.23	393.45	5.03	-65.20
CN(CC1CCCN(C(=O)CCC2CCCC[N@@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086771	0	60	0.0	-74.01	429.36	6.71	-67.30
CN(CC1CCCN(C(=O)CCC2CCCC[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086771	1	60	0.0	-79.62	430.91	6.73	-72.89
CN(CC1CCCN(C(=O)C2=CC3=C(CCC3)[NH+]=C2N)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086802	1	54	0.0	-65.77	411.91	4.69	-61.08
CN(CC1CCCN(C(=O)C2CC[N@@H+]2C(C)(C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086860	0	57	0.0	-67.14	400.55	4.80	-62.34
CN(CC1CCCN(C(=O)C2CC[N@H+]2C(C)(C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086860	1	57	0.0	-68.84	395.93	5.02	-63.82
C[C@@H](C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029086878	0	50	0.0	-70.46	371.09	4.26	-66.20
C=CCC(C)(C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029086895	0	57	0.0	-64.62	401.52	5.44	-59.18
CN(CC1CCCN(C(=O)CC[NH+]2CCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086917	0	54	0.0	-75.58	404.56	5.68	-69.90
CN(CC1CCCN(C(=O)C[N@H+](C)CCO)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086927	1	51	0.0	-72.10	384.12	1.39	-70.71
CN(CC1CCCN(C(=O)C[N@@H+](C)CCO)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086927	1	51	0.0	-73.52	384.77	1.39	-72.13
CN(CC1CCCN(C(=O)C2C[N@@H+]3CCN2CCC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086963	0	57	0.0	-75.19	401.73	3.16	-72.03
CN(CC1CCCN(C(=O)C2C[N@H+]3CCN2CCC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086963	1	57	0.0	-76.96	398.97	3.30	-73.66
CC(C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300029086984	1	55	0.0	-72.54	412.98	5.89	-66.65
CN(CC1CCCN(C(=O)CC2=CC[N@H+](C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087016	0	55	0.0	-71.46	416.51	6.27	-65.19
CN(CC1CCCN(C(=O)CC2=CC[N@@H+](C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087016	1	55	0.0	-68.77	415.34	6.30	-62.47
CN(CC1CCCN(C(=O)C(O)CC[S+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087031	0	53	0.0	-75.20	417.27	3.37	-71.83
CN(CC1CCCN(C(=O)C2(C)CC(O)C[N@@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087049	0	55	0.0	-70.62	394.00	1.28	-69.34
CN(CC1CCCN(C(=O)C2(C)CC(O)C[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087049	1	55	0.0	-69.70	396.29	1.33	-68.37
CN(CC1CCCN(C(=O)C2CN(C)CC[N@H+](C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087059	0	59	0.0	-71.40	429.37	3.89	-67.51
CN(CC1CCCN(C(=O)C2CN(C)CC[N@@H+](C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087059	1	59	0.0	-69.92	421.42	3.93	-65.99
CC(C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300029087060	0	58	0.0	-68.29	422.99	2.99	-65.30
CC(C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300029087060	1	58	0.0	-68.90	422.51	2.99	-65.91
CN(CC1CCCN(C(=O)C2=C(N)[NH+]=CC3=C2CCC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087087	0	54	0.0	-73.05	417.17	4.75	-68.30
CN(CC1CCCN(C(=O)CC2(O)CCC[N@H+](C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087093	0	58	0.0	-73.65	413.99	4.21	-69.44
CN(CC1CCCN(C(=O)CC2(O)CCC[N@@H+](C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087093	1	58	0.0	-67.96	416.79	4.07	-63.89
CC1C[NH+](CC(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029087098	1	51	0.0	-72.76	388.24	5.04	-67.72
CC[N@@H+]1CCCC(C(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029087105	0	57	0.0	-70.41	408.65	6.12	-64.29
CC[N@H+]1CCCC(C(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029087105	1	57	0.0	-76.71	415.11	5.95	-70.76
CN(CC1CCCN(C(=O)CC2=CC=C[NH+]=C2N)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087111	0	50	0.0	-66.09	391.59	3.74	-62.35
CN(CC1CCCN(C(=O)C2CCC[N@@H+]2C2CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087123	0	55	0.0	-68.17	410.38	6.24	-61.93
CN(CC1CCCN(C(=O)C2CCC[N@H+]2C2CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087123	1	55	0.0	-68.39	404.50	6.10	-62.29
CN(CC1CCCN(C(=O)C=CC[NH+]2CCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087165	0	55	0.0	-80.84	415.95	6.18	-74.66
CN(CC1CCCN(C(=O)C2CC[NH+](C3CC3)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087186	0	58	0.0	-71.82	425.25	6.67	-65.15
CC[N@H+](C)CC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029087229	0	50	0.0	-71.22	373.77	4.63	-66.59
CN(CC1CCCN(C(=O)CN2CC3C=CC2C3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087280	0	53	0.0	-70.38	395.95	5.92	-64.46
CN(CC1CCCN(C(=O)C[N@@H+]2CC3C=CC2C3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087280	1	53	0.0	-70.37	395.69	5.92	-64.45
CN(CC1CCCN(C(=O)C[N@H+]2CC3C=CC2C3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087280	1	53	0.0	-70.37	395.69	5.92	-64.45
CN(CC1CCCN(C(=O)C23CCC[N@@H+]2CCCC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087399	0	58	0.0	-67.13	403.95	5.55	-61.58
CN(CC1CCCN(C(=O)C23CCC[N@H+]2CCCC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087399	1	58	0.0	-67.13	403.95	5.55	-61.58
CN(CC1CCCN(C(=O)C23CCC[N@@H+]2CC=CC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087406	0	56	0.0	-65.62	398.80	5.60	-60.02
CN(CC1CCCN(C(=O)C23CCC[N@H+]2CC=CC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087406	1	56	0.0	-65.62	398.80	5.60	-60.02
CC(OCC[NH+](C)C)C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029087416	0	57	0.0	-74.47	428.58	5.54	-68.93
CN(CC1CCCN(C(=O)CCOCC[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087425	0	57	0.0	-77.41	433.23	4.70	-72.71
COCCN(C)CC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029087427	0	54	0.0	-73.61	407.03	3.79	-69.82
COCC[N@H+](C)CC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029087427	1	54	0.0	-72.34	406.37	3.80	-68.54
COCC[N@@H+](C)CC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029087427	1	54	0.0	-72.34	406.37	3.80	-68.54
CC(CCC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029087432	0	56	0.0	-79.89	409.50	5.71	-74.18
CC[N@H+](CC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029087457	0	54	0.0	-69.32	401.87	5.92	-63.40
CC1C[N@@H+]2CCN1C(C(=O)N1CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029087472	0	57	0.0	-75.18	405.23	2.62	-72.56
CN(CC1CCCN(C(=O)C23CC(C2)C[N@@H+]3C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087495	0	52	0.0	-70.79	382.16	5.15	-65.64
CC1=NC(N)=CC=C1C=CC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029087504	0	54	0.0	-78.44	420.28	4.58	-73.86
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029087504	1	54	0.0	-78.44	420.28	4.58	-73.86
CN(CC1CCCN(C(=O)C[N@@H+]2CC3CCC2C3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087510	0	55	0.0	-68.09	400.84	5.83	-62.26
CN(CC1CCCN(C(=O)C[N@H+]2CC3CCC2C3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087510	1	55	0.0	-68.09	400.84	5.83	-62.26
CC(C[NH+](C)C)C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029087530	0	53	0.0	-64.95	393.29	5.04	-59.91
CCN1CCC1C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029087578	0	51	0.0	-68.90	379.74	4.56	-64.34
CC[N@@H+]1CCC1C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029087578	1	51	0.0	-70.15	386.83	4.85	-65.30
CC[N@H+]1CCC1C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029087578	1	51	0.0	-70.15	386.83	4.85	-65.30
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029087590	0	60	0.0	-74.80	435.33	6.66	-68.14
CC(C)[N@H+]1CCCC(C(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029087590	1	60	0.0	-74.80	435.33	6.66	-68.14
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029087605	0	59	0.0	-70.00	420.80	4.44	-65.56
C#CCN1CCCCC1C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029087646	0	56	0.0	-65.90	421.04	6.64	-59.26
C#CC[N@H+]1CCCCC1C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029087646	1	56	0.0	-69.20	414.35	6.30	-62.90
C#CC[N@@H+]1CCCCC1C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029087646	1	56	0.0	-69.20	414.35	6.30	-62.90
CNC1=NC(C)=CC=C1C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029087647	0	53	0.0	-68.50	409.89	4.57	-63.93
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029087647	1	53	0.0	-68.50	409.89	4.57	-63.93
CCCC(C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029087657	0	56	0.0	-73.69	408.26	5.79	-67.90
CN(CC1CCCN(C(=O)C(C)(C)[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087664	0	53	0.0	-70.66	377.79	4.44	-66.22
CC(CC[NH+](C)C)C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029087682	0	56	0.0	-73.90	414.56	5.63	-68.27
CN(CC1CCCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087749	0	56	0.0	-70.43	406.34	6.75	-63.68
CN(CC1CCCN(C(=O)C2CC(C)(C)C[N@@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087783	0	57	0.0	-67.85	419.13	5.90	-61.95
CN(CC1CCCN(C(=O)C2CC(C)(C)C[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087783	1	57	0.0	-67.85	419.13	5.90	-61.95
CN(CC1CCCN(C(=O)CCCCC[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087788	0	59	0.0	-76.97	443.20	6.89	-70.08
CN(CC1CCCN(C(=O)CC[NH+]2CCC(O)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087792	0	58	0.0	-77.87	432.07	3.08	-74.79
CCC[N@@H+]1CCCCC1C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029087796	0	60	0.0	-70.21	435.07	6.85	-63.36
CCC[N@H+]1CCCCC1C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029087796	1	60	0.0	-70.21	435.07	6.85	-63.36
CN(CC1CCCN(C(=O)CN2CCN(C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087805	0	56	0.0	-74.93	415.15	3.43	-71.50
CN(CC1CCCN(C(=O)CN2CC[NH+](C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087805	1	56	0.0	-74.93	415.15	3.43	-71.50
CC1C[N@H+](C)CC(C(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029087898	1	55	0.0	-79.77	403.81	4.56	-75.21
CC1C[N@@H+](C)CC(C(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029087898	1	55	0.0	-81.76	401.96	4.48	-77.28
CCC1CCC[N@H+](CC(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029087930	0	60	0.0	-69.72	428.84	6.60	-63.12
CCC1CCC[N@@H+](CC(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029087930	1	60	0.0	-72.23	437.32	7.05	-65.18
CN(CC1CCCN(C(=O)C2=CC=C(C[NH+](C)C)N2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087938	0	55	0.0	-91.92	421.40	5.24	-86.68
CN(CC1CCCN(C(=O)C[NH+]2CC3CC3C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087953	0	52	0.0	-71.14	391.47	5.85	-65.29
CN(CC1CCCN(C(=O)CC2([NH+]3CCCC3)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087966	0	58	0.0	-68.39	421.11	6.76	-61.63
CN(CC1CCCN(C(=O)C2CCCC[N@@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088003	0	54	0.0	-66.99	395.95	5.49	-61.50
CN(CC1CCCN(C(=O)C2CCCC[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088003	1	54	0.0	-68.82	385.45	5.01	-63.81
CN(CC1CCCN(C(=O)C=C2CC[N@H+](C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088118	0	52	0.0	-78.82	394.56	5.44	-73.38
CN(CC1CCCN(C(=O)C=C2CC[N@@H+](C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088118	1	52	0.0	-79.88	394.18	5.42	-74.46
CN(CC1CCCN(C(=O)CNC2=CC=[NH+]C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088123	0	50	0.0	-76.95	392.12	3.13	-73.82
CC[NH+]1CCN(CC(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029088177	0	59	0.0	-74.00	432.40	4.06	-69.94
CN(CC1CCCN(C(=O)C=C2C[NH+]3CCC2CC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088180	0	56	0.0	-66.64	411.69	6.28	-60.36
CN(CC1CCCN(C(=O)C2([NH+](C)C)CCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088215	0	57	0.0	-68.91	394.87	5.03	-63.88
CN(CC1CCCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088226	0	58	0.0	-69.09	426.81	3.34	-65.75
CN(CC1CCCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088226	1	58	0.0	-67.10	426.50	3.36	-63.74
CCC1C[NH+](CC(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029088230	0	54	0.0	-73.71	409.60	5.80	-67.91
CN(CC1CCCN(C(=O)C2([NH+]3CCCC3)CCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088234	0	58	0.0	-74.90	412.51	6.17	-68.73
CN(CC1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088248	0	51	0.0	-69.43	373.90	4.46	-64.97
CN(CC1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088248	1	51	0.0	-72.08	382.16	4.87	-67.21
CC[N@@H+]1CCOCC1CC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029088276	0	58	0.0	-73.39	419.99	4.26	-69.13
CN(CC1CCCN(C(=O)C2=CC=C3NC(N)=NC3=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088357	0	51	0.0	-81.41	400.25	4.81	-76.60
CN(CC1CCCN(C(=O)C2=CC=C3NC(N)=[NH+]C3=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088357	1	51	0.0	-81.41	400.25	4.81	-76.60
CN(CC1CCCN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088391	0	54	0.0	-77.56	406.06	5.69	-71.87
CN(CC1CCCN(C(=O)C2CCC([NH+](C)C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088405	0	60	0.0	-71.99	425.05	6.42	-65.57
CN(CC1CCCN(C(=O)C2(CC[NH+](C)C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088406	0	57	0.0	-74.72	428.32	6.31	-68.41
CN(CC1CCCN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088408	0	60	0.0	-69.42	425.12	6.38	-63.04
CN(CC1CCCN(C(=O)CC2CC=CC[N@@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088409	0	55	0.0	-63.75	403.16	6.00	-57.75
CN(CC1CCCN(C(=O)CC2CC=CC[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088409	1	55	0.0	-63.75	403.16	6.00	-57.75
CC1=CC(C=CC(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)=CN=C1N	REAL300029088457	0	54	0.0	-83.15	420.45	4.85	-78.30
CC1=CC(C=CC(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)=C[NH+]=C1N	REAL300029088457	1	54	0.0	-83.15	420.45	4.85	-78.30
CN(CC1CCCN(C(=O)COCC[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088469	0	54	0.0	-73.98	412.07	5.05	-68.93
CCCCC[N@H+](C)CCC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029088475	0	62	0.0	-77.03	461.50	7.50	-69.53
CCCCC[N@@H+](C)CCC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029088475	1	62	0.0	-77.03	461.50	7.50	-69.53
CN(CC1CCCN(C(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088486	0	58	0.0	-76.36	432.20	5.75	-70.61
CN(CC1CCCN(C(=O)CN2C=CSC2=[NH2+])C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088510	0	47	0.0	-68.77	384.41	4.07	-64.70
C[C@@H](OCC[NH+](C)C)C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029088579	0	57	0.0	-65.14	428.76	5.55	-59.59
CN(CC1CCCN(C(=O)CC[NH+]2CCCCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088617	0	60	0.0	-75.56	431.44	7.00	-68.56
CN(CC1CCCN(C(=O)C[NH+]2CCCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088621	0	54	0.0	-71.77	398.07	5.80	-65.97
CN(CC1CCCN(C(=O)C2CCC[N@H+](C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088623	0	54	0.0	-73.02	400.49	5.45	-67.57
CN(CC1CCCN(C(=O)C2CCC[N@@H+](C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088623	1	54	0.0	-79.07	391.79	5.35	-73.72
CN(CC1CCCN(C(=O)C[NH+]2CCC(CO)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088624	0	58	0.0	-73.73	430.33	3.10	-70.63
CN(CC1CCCN(C(=O)C[NH+]2CCCCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088625	0	57	0.0	-70.46	406.98	6.00	-64.46
CN(CC1CCCN(C(=O)C[N+]2=CN(C)C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088630	0	49	0.0	-69.79	387.43	7.44	-62.35
CN(CC1CCCN(C(=O)C2=CC=C(C[NH+](C)C)O2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088646	1	54	0.0	-89.12	417.84	5.64	-83.48
CN(CC1CCCN(C(=O)C[NH+]2CCC(O)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088662	1	55	0.0	-77.09	409.74	2.45	-74.64
CN(CC1CCCN(C(=O)C[N@@H+](C)C2CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088667	1	51	0.0	-69.64	386.23	5.37	-64.27
CC(C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300029088669	1	59	0.0	-72.93	432.38	3.90	-69.03
CN(CC1CCCN(C(=O)CC[N@H+]2CCC(F)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088671	1	54	0.0	-77.46	410.19	5.81	-71.65
COC1C[N@@H+](C)C(C)(C(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029088681	1	58	0.0	-70.89	419.45	3.71	-67.18
CC(CC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029088698	0	56	0.0	-76.82	413.71	6.03	-70.79
CN(CC1CCCN(C(=O)C2CC[N@@H+]3CCOCC23)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088713	0	56	0.0	-80.04	412.33	4.08	-75.96
CN(CC1CCCN(C(=O)C2CC[N@H+]3CCOCC23)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088713	1	56	0.0	-69.43	405.89	4.07	-65.36
CC1=[NH+]C=C2C=CC(C(=O)N3CCCC(CN(C)C(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300029088718	0	52	0.0	-78.41	412.28	6.97	-71.44
CN(CC1CCCN(C(=O)CC2COCCN2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088732	0	55	0.0	-65.83	399.49	3.66	-62.17
CN(CC1CCCN(C(=O)CC2COCC[N@@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088732	1	55	0.0	-69.06	399.43	3.62	-65.44
CN(CC1CCCN(C(=O)CC2COCC[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088732	1	55	0.0	-65.83	399.49	3.66	-62.17
CC[NH+]1CCN(CC(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029088740	0	59	0.0	-74.00	432.40	4.06	-69.94
CC1=CC(N)=[NH+]C=C1C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029088792	1	50	0.0	-79.34	389.79	3.18	-76.16
CN(CC1CCCN(C(=O)CCC2=CC=C(N)[NH+]=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088795	0	53	0.0	-76.14	415.12	4.46	-71.68
CN(CC1CCCN(C(=O)C[N@H+]2CCC(C)(O)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088834	1	55	0.0	-70.34	412.31	2.32	-68.02
CN(CC1CCCN(C(=O)CC2C[NH+](C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088868	0	51	0.0	-74.07	388.09	4.75	-69.32
CN(CC1CCCN(C(=O)C2CC[N@@H+]2C2CCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088873	0	58	0.0	-69.40	420.38	6.42	-62.98
CN(CC1CCCN(C(=O)C2CC[N@H+]2C2CCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088873	1	58	0.0	-72.57	426.20	6.71	-65.86
CN(CC1CCCN(C(=O)C[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088881	0	47	0.0	-72.80	356.33	3.93	-68.87
CN(CC1CCCN(C(=O)CC[N@H+](C)CCO)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088909	0	54	0.0	-75.65	407.36	1.98	-73.67
CN(CC1CCCN(C(=O)CC[N@@H+](C)CCO)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088909	1	54	0.0	-74.23	407.34	1.98	-72.25
C[C@@H](C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029088910	0	50	0.0	-70.46	371.09	4.26	-66.20
CN(CC1CCCN(C(=O)CC2CCCC[N@@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088930	0	57	0.0	-73.31	415.01	6.16	-67.15
CN(CC1CCCN(C(=O)CC2CCCC[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088930	1	57	0.0	-75.93	415.61	6.15	-69.78
CC1=C2C=C(C(=O)N3CCCC(CN(C)C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029088950	1	52	0.0	-82.23	412.88	7.81	-74.42
CC(C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300029088951	0	54	0.0	-62.88	403.06	5.47	-57.41
CC1CC[N@@H+]1CC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029088955	1	51	0.0	-69.93	387.28	5.04	-64.89
CC1CC[N@H+]1CC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029088955	1	51	0.0	-69.89	387.59	4.97	-64.92
CN(CC1CCCN(C(=O)C=CC[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088968	0	51	0.0	-82.11	391.32	5.10	-77.01
CN(CC1CCCN(C(=O)C[NH+]2CC(C)(C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088981	1	54	0.0	-72.75	407.53	5.56	-67.19
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029088999	1	55	0.0	-70.19	427.29	5.29	-64.90
CC1=C2C=C(C(=O)N3CCCC(CN(C)C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029089010	1	52	0.0	-82.23	412.88	7.81	-74.42
CN(CC1CCCN(C(=O)CSCC[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029089019	0	54	0.0	-83.87	423.09	5.94	-77.93
CN(CC1CCCN(C(=O)C[N@@H+]2CCCC2CO)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029089044	0	55	0.0	-68.11	402.44	2.44	-65.67
CN(CC1CCCN(C(=O)C[N@H+]2CCCC2CO)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029089044	1	55	0.0	-69.59	410.40	2.37	-67.22
CC[NH+](CC)CC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029089048	0	53	0.0	-70.58	387.82	5.04	-65.54
CN(CC1CCCN(C(=O)C[N@H+](C)C2CCSC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029089058	0	55	0.0	-77.46	416.30	6.18	-71.28
CN(CC1CCCN(C(=O)C[N@@H+](C)C2CCSC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029089058	1	55	0.0	-77.57	416.26	6.18	-71.39
CN(CC1CCCN(C(=O)C[NH+]2CCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029089060	1	48	0.0	-72.89	367.24	4.42	-68.47
CC[NH+](CC)CCC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029089106	0	56	0.0	-74.27	413.82	5.88	-68.39
CN(CC1CCCN(C(=O)C2=CC(C[NH+](C)C)=CN2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029089168	0	55	0.0	-81.36	419.96	5.40	-75.96
CC(C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300029089185	0	58	0.0	-73.32	419.11	2.52	-70.80
CN(CC1CCCN(C(=O)C2CC3COCC[N@@H+]3C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029089191	0	56	0.0	-73.34	411.08	4.12	-69.22
CN(CC1CCCN(C(=O)C2CC3COCC[N@H+]3C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029089191	1	56	0.0	-73.31	411.20	4.10	-69.21
CC(C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029089205	1	51	0.0	-70.59	375.00	4.43	-66.16
CCC(CC(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029089211	0	59	0.0	-78.47	431.89	6.63	-71.84
CN(CC1CCCN(C(=O)C=CC2=CC=C(N)[NH+]=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029089218	0	51	0.0	-84.07	402.65	4.09	-79.98
CN(CC1CCCN(C(=O)C(C)(C)C[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029089219	0	56	0.0	-64.89	393.72	5.14	-59.75
CN(CC1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029089277	0	54	0.0	-66.13	396.70	5.49	-60.64
CN(CC1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029089277	1	54	0.0	-68.24	385.93	4.98	-63.26
CC1CN2CC[N@@H+]1CC2C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029089291	0	57	0.0	-71.64	405.23	2.49	-69.15
CC1CN2CC[N@H+]1CC2C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029089291	1	57	0.0	-72.47	405.53	2.52	-69.95
CN(CC1CCCN(C(=O)CC(O)C[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029089312	0	54	0.0	-79.47	409.58	3.04	-76.43
CN(CC1CCCN(C(=O)C2CC3CCC(C2)[NH+]3C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029089315	0	58	0.0	-66.09	401.19	5.67	-60.42
C=CCC(C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029089347	0	54	0.0	-69.36	397.39	5.35	-64.01
CN(CC1CCCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029089355	0	58	0.0	-77.88	421.18	6.52	-71.36
CN(CC1CCCN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029089355	1	58	0.0	-70.79	423.33	6.57	-64.22
CN(CC1CCCN(C(=O)C2(C)CC[NH+](C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029089366	0	57	0.0	-67.26	404.84	5.48	-61.78
CN(CC1CCCN(C(=O)CC2(O)CC[NH+](C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029089368	0	58	0.0	-76.78	426.65	4.22	-72.56
CC1=C2C=C(C(=O)N(C)CC3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029089444	1	52	0.0	-70.49	412.79	7.71	-62.78
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CSCC[NH+](C)C	REAL300029089453	0	54	0.0	-73.26	422.22	5.71	-67.55
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC2COCC[N@@H+]2C1	REAL300029089461	0	56	0.0	-67.67	411.54	4.05	-63.62
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC2COCC[N@H+]2C1	REAL300029089461	1	56	0.0	-69.10	411.12	3.90	-65.20
C[N@@H+]1CCCC1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029089606	0	45	0.0	-72.50	346.80	1.86	-70.64
C[N@H+]1CCCC1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029089606	1	45	0.0	-75.37	346.83	1.87	-73.50
C[N@@H+]1CCOC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029089630	1	46	0.0	-86.18	363.31	1.82	-84.36
C[N@H+]1CCOC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029089630	1	46	0.0	-90.13	363.04	1.81	-88.32
CC(C)C1=[NH+]C=CN1CCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029089832	1	52	0.0	-70.27	411.37	4.50	-65.77
CC(C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300029089840	0	54	0.0	-70.76	395.73	3.77	-66.99
CC(C)[N@@H+]1CCCCC1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029089843	0	54	0.0	-69.10	393.67	3.92	-65.18
CC(C)[N@H+]1CCCCC1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029089843	1	54	0.0	-69.85	393.76	3.91	-65.94
CC(C)[N@@H+]1CCCC1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029089879	0	51	0.0	-71.75	378.48	3.64	-68.11
CC(C)[N@H+]1CCCC1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029089879	1	51	0.0	-73.88	378.29	3.61	-70.27
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@@H+]2C1	REAL300029089909	0	52	0.0	-74.03	393.37	4.01	-70.02
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@H+]2C1	REAL300029089909	1	52	0.0	-77.87	394.18	4.02	-73.85
CC(C)C1=[NH+]C=CN1CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029089949	1	49	0.0	-69.71	391.65	4.08	-65.63
CC1=[NH+]C=CN1CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029090011	1	43	0.0	-70.56	355.31	2.96	-67.60
CC(C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029090013	0	52	0.0	-71.67	396.92	2.23	-69.44
O=C(CCC[NH+]1CCCCC1)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029090036	0	54	0.0	-77.21	412.27	4.58	-72.63
CC(C)(C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300029090077	0	54	0.0	-51.09	382.76	5.12	-45.97
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@@H+](C2CCCCC2)C1	REAL300029090080	0	58	0.0	-73.88	431.43	5.30	-68.58
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@H+](C2CCCCC2)C1	REAL300029090080	1	58	0.0	-77.23	431.09	5.24	-71.99
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCC1CC2	REAL300029090098	0	49	0.0	-84.99	367.79	3.12	-81.87
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCCC2CCC[N@@H+]21	REAL300029090165	0	52	0.0	-71.90	383.52	3.88	-68.02
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCCC2CCC[N@H+]21	REAL300029090165	1	52	0.0	-67.83	390.10	4.22	-63.61
C[NH+](C)CCN1C=C(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C=N1	REAL300029090168	0	51	0.0	-83.43	410.16	2.86	-80.57
C[NH+](C)CCN1C=CC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=N1	REAL300029090185	0	51	0.0	-90.03	411.42	2.82	-87.21
C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029090193	0	48	0.0	-79.57	362.87	2.78	-76.79
C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029090193	1	48	0.0	-78.60	367.42	3.07	-75.53
CCC1=[NH+]C=CN1C(C)CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029090197	1	52	0.0	-70.47	411.86	4.56	-65.91
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029090200	0	51	0.0	-78.75	383.47	3.03	-75.72
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029090200	1	51	0.0	-75.97	386.68	3.57	-72.40
CC[N@@H+]1CCOC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029090230	1	49	0.0	-85.23	380.91	2.44	-82.79
CC[N@H+]1CCOC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029090230	1	49	0.0	-74.63	374.80	2.26	-72.37
CC[NH+](CC)CC(F)C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029090306	0	50	0.0	-74.88	384.85	3.08	-71.80
C[NH+](C)CC1=C(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)SC=C1	REAL300029090307	0	48	0.0	-64.36	391.41	4.03	-60.33
CC1CCC(C)[NH+]1CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029090436	0	51	0.0	-73.42	373.22	2.99	-70.43
O=C(CCC[NH+]1CCCC1)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029090447	0	51	0.0	-76.42	394.09	3.77	-72.65
C[NH+](C)CC1=CC=CC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029090448	0	51	0.0	-78.30	404.00	4.85	-73.45
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029090458	0	50	0.0	-81.61	394.98	4.17	-77.44
O=C(CC[NH+]1CCCCC1)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029090460	0	51	0.0	-76.23	389.73	3.76	-72.47
C[NH+](C)CC1=CC=CC=C1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029090464	0	51	0.0	-61.41	396.70	5.08	-56.33
CC[N@@H+]1CCCCC1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029090476	0	51	0.0	-71.20	385.48	3.58	-67.62
CC[N@H+]1CCCCC1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029090476	1	51	0.0	-68.93	385.53	3.55	-65.38
CC(C)C(C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300029090477	0	57	0.0	-48.74	410.78	6.56	-42.18
C[NH+](C)C(C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300029090481	1	51	0.0	-70.22	400.44	4.81	-65.41
CC(C)C[N@@H+]1CCC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029090508	0	54	0.0	-75.74	410.96	4.33	-71.41
CC(C)C[N@H+]1CCC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029090508	1	54	0.0	-75.91	411.80	4.34	-71.57
C[NH+](C)C1(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029090512	0	48	0.0	-65.20	343.42	4.07	-61.13
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@@H+]1C1CCOCC1	REAL300029090515	0	56	0.0	-74.51	417.84	2.94	-71.57
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@H+]1C1CCOCC1	REAL300029090515	1	56	0.0	-74.99	417.45	2.89	-72.10
C[NH+](C)C(CN1C=CC=N1)C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029090517	1	51	0.0	-68.45	399.49	2.64	-65.81
CC(C)[N@@H+]1CCCC1CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029090524	0	54	0.0	-65.85	395.40	3.90	-61.95
CC(C)[N@H+]1CCCC1CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029090524	1	54	0.0	-66.90	394.32	3.40	-63.50
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@@H+]1C1CCCC1	REAL300029090525	0	55	0.0	-71.05	410.66	4.89	-66.16
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@H+]1C1CCCC1	REAL300029090525	1	55	0.0	-72.09	411.16	4.75	-67.34
CC(C)[C@@H](C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029090555	0	50	0.0	-72.40	371.10	3.29	-69.11
C[N@H+](CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029090628	0	48	0.0	-71.81	371.93	3.29	-68.52
C[N@@H+](CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029090628	1	48	0.0	-72.52	371.84	3.28	-69.24
CC(C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300029090733	0	54	0.0	-69.22	399.41	3.70	-65.52
CN(CCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=[NH+]C=C1	REAL300029090818	0	50	0.0	-72.53	400.63	3.03	-69.50
C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029090832	1	47	0.0	-73.27	373.48	3.08	-70.19
C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029090832	1	47	0.0	-73.05	379.25	3.62	-69.43
C[N@@H+]1CCCC1CCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029090844	0	51	0.0	-75.20	388.56	3.37	-71.83
C[N@H+]1CCCC1CCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029090844	1	51	0.0	-75.36	387.83	3.37	-71.99
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+](CCC1)C2	REAL300029090861	0	52	0.0	-76.10	383.11	3.54	-72.56
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC2CCCC[N@@H+]21	REAL300029090869	0	52	0.0	-72.55	388.65	3.82	-68.73
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC2CCCC[N@H+]21	REAL300029090869	1	52	0.0	-70.42	388.68	3.82	-66.60
CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029090881	0	55	0.0	-75.98	408.97	2.54	-73.44
CC[NH+](CC)CC1=CC=C(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029090898	0	54	0.0	-82.15	421.06	4.27	-77.88
O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029090903	0	54	0.0	-77.77	417.05	4.64	-73.13
C[N@H+](CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029090906	1	51	0.0	-78.84	402.56	4.95	-73.89
C[N@@H+](CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029090906	1	51	0.0	-78.98	402.61	4.95	-74.03
C[NH+]1CCC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029090924	0	48	0.0	-80.89	370.30	3.02	-77.87
C[NH+](C)CC1=CC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=NO1	REAL300029090997	1	47	0.0	-82.31	384.83	2.31	-80.00
CC1=C(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300029090999	0	46	0.0	-80.24	378.08	5.06	-75.18
C[N@@H+]1CCCCC1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029091058	0	48	0.0	-71.70	359.39	2.76	-68.94
C[N@H+]1CCCCC1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029091058	1	48	0.0	-73.36	359.46	2.77	-70.59
CC(C)C[N@@H+]1CCCC1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029091095	0	54	0.0	-73.66	399.98	4.63	-69.03
CC(C)C[N@H+]1CCCC1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029091095	1	54	0.0	-71.13	410.50	4.53	-66.60
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CN2C=[NH+]C=C2C=C1	REAL300029091284	0	43	0.0	-76.61	356.02	4.88	-71.73
CC1=[NH+]C=CN1CCCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029091300	1	49	0.0	-73.91	397.74	4.25	-69.66
O=C(CCCC[NH+]1CCOCC1)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029091304	1	55	0.0	-81.13	423.99	2.91	-78.22
C[NH+](C)CC1=CC=C(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300029091310	0	51	0.0	-86.68	403.87	4.84	-81.84
O=C(CC[NH+]1CCOCC1)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029091311	1	49	0.0	-79.80	381.00	1.34	-78.46
C[NH+](C)C(C)(C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300029091333	0	54	0.0	-84.23	401.24	4.98	-79.25
CCC[NH+](CCC)CCCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029091341	0	59	0.0	-77.04	447.93	5.55	-71.49
CC[N@H+](C)C(C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300029091342	0	54	0.0	-73.29	418.43	5.50	-67.79
CC[N@@H+](C)C(C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300029091342	1	54	0.0	-72.18	418.12	5.52	-66.66
CC1=C[NH+]=CN1CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029091369	1	43	0.0	-74.81	354.62	3.66	-71.15
O=C(CN1C=[NH+]C2=C1CCCC2)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029091383	1	50	0.0	-74.42	397.30	5.38	-69.04
C[NH+](C)CC1(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL300029091431	0	57	0.0	-63.05	397.69	6.00	-57.05
C[NH+](C)CCC1=CC=CC=C1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029091432	0	54	0.0	-61.93	415.24	5.58	-56.35
C[N@H+](CCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300029091439	0	57	0.0	-78.22	424.14	4.92	-73.30
C[N@@H+](CCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300029091439	1	57	0.0	-78.16	424.13	4.95	-73.21
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+]1CCC2	REAL300029091445	0	49	0.0	-76.30	369.26	3.12	-73.18
C[NH+](C)C1CCCC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029091489	0	54	0.0	-69.47	398.18	4.04	-65.43
C[N@@H+]1CCC(CC(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029091496	0	48	0.0	-78.20	373.55	2.89	-75.31
C[N@H+]1CCC(CC(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029091496	1	48	0.0	-78.53	373.43	2.94	-75.59
CN(C)C1=CC=[NH+]C=C1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029091510	0	47	0.0	-84.86	376.57	2.18	-82.68
CCC(C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029091516	0	47	0.0	-71.90	359.34	2.51	-69.39
C[NH+](C)C1(CC(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029091541	0	54	0.0	-80.04	390.60	3.76	-76.28
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC2=C[NH+]=CN2C=C1	REAL300029091620	1	43	0.0	-82.45	356.29	4.90	-77.55
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300029091669	1	46	0.0	-87.59	385.54	2.81	-84.78
C[NH+](C)CCCCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029091705	0	50	0.0	-79.18	391.09	3.47	-75.71
CC(C)C(C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029091730	0	50	0.0	-71.18	375.62	3.49	-67.69
CCC[N@H+](C)CCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029091732	0	50	0.0	-77.73	387.50	3.31	-74.42
CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029091732	1	50	0.0	-77.86	387.32	3.29	-74.57
CCC[N@H+](C)CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029091739	0	47	0.0	-74.63	365.96	2.74	-71.89
CCC[N@@H+](C)CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029091739	1	47	0.0	-74.52	364.95	2.71	-71.81
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C12CC[N@H+](C1)CCC2	REAL300029091772	0	49	0.0	-76.34	367.68	2.62	-73.72
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C12CC[N@@H+](C1)CCC2	REAL300029091772	1	49	0.0	-86.21	366.62	2.70	-83.51
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029091848	0	45	0.0	-72.54	346.79	1.84	-70.70
C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029091848	1	45	0.0	-70.84	352.22	2.42	-68.42
CC1CC2CCC(C(=O)NC[C@@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)C[N@@H+]2C1	REAL300029091879	0	55	0.0	-72.80	413.93	4.73	-68.07
CC1CC2CCC(C(=O)NC[C@@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)C[N@H+]2C1	REAL300029091879	1	55	0.0	-73.81	414.09	4.66	-69.15
CCCCCC[N@H+](C)CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029091939	0	56	0.0	-75.89	430.46	5.08	-70.81
CCCCCC[N@@H+](C)CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029091939	1	56	0.0	-75.66	429.44	5.06	-70.60
CC[NH+](CC)C(C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300029091951	0	56	0.0	-49.17	394.36	5.74	-43.43
CC[NH+](CC)CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029091964	0	47	0.0	-72.89	357.22	2.40	-70.49
CCC[N@@H+]1CCCC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029091997	0	54	0.0	-67.62	404.25	4.56	-63.06
CCC[N@H+]1CCCC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029091997	1	54	0.0	-75.29	409.59	4.40	-70.89
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCCC[N@@H+]1C1CCCC1	REAL300029092010	0	58	0.0	-68.71	422.57	5.13	-63.58
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCCC[N@H+]1C1CCCC1	REAL300029092010	1	58	0.0	-70.23	419.42	5.29	-64.94
CC(C)[N@@H+]1CCOC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029092023	0	52	0.0	-82.00	397.90	2.97	-79.03
CC(C)[N@H+]1CCOC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029092023	1	52	0.0	-85.76	397.69	2.97	-82.79
CC1CC[NH+](CC(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029092067	0	51	0.0	-74.99	388.29	3.81	-71.18
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300029092101	1	46	0.0	-83.04	386.04	2.77	-80.27
C[NH+]1CCC(OCC(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029092111	0	52	0.0	-83.39	405.83	3.45	-79.94
C[NH+](C)CC1(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029092131	0	48	0.0	-68.03	356.77	4.05	-63.98
CC1=[NH+]C=C2CCC(C(=O)NC[C@@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)CN21	REAL300029092132	1	50	0.0	-70.54	394.21	4.15	-66.39
CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029092244	0	54	0.0	-78.37	404.62	4.21	-74.16
C[NH+]1CCC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029092276	0	48	0.0	-80.89	370.30	3.02	-77.87
CC(C)[C@H](C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029092299	0	50	0.0	-69.97	371.89	3.26	-66.71
CCC(C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300029092339	0	53	0.0	-67.98	393.03	3.71	-64.27
CC[N@H+](C)CCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029092443	0	47	0.0	-76.95	366.00	2.58	-74.37
CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029092443	1	47	0.0	-77.13	365.82	2.55	-74.58
CC1CCC[N@@H+]1CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029092532	0	48	0.0	-71.35	372.73	2.97	-68.38
CC1CCC[N@H+]1CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029092532	1	48	0.0	-72.01	370.30	3.14	-68.87
CC1CC[N@H+](CC(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029092535	0	48	0.0	-73.64	372.01	3.09	-70.55
CC1CC[N@@H+](CC(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029092535	1	48	0.0	-73.69	371.74	3.06	-70.63
CC(C)(C)[N@@H+]1CCC(F)(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029092536	0	54	0.0	-71.97	408.75	3.61	-68.36
CC(C)(C)[N@H+]1CCC(F)(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029092536	1	54	0.0	-69.78	407.66	3.65	-66.13
CC1=[NH+]C=C2CC(C(=O)NC[C@@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)CCN21	REAL300029092538	1	50	0.0	-75.73	394.36	4.10	-71.63
C[NH+](C)CCC1=CC=C(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300029092540	0	54	0.0	-87.57	426.37	5.68	-81.89
CC1(C)CC[N@H+](CC(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029092542	0	51	0.0	-74.02	391.97	3.57	-70.45
CC1(C)CC[N@@H+](CC(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029092542	1	51	0.0	-73.62	391.62	3.58	-70.04
C[N@H+](CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029092543	0	53	0.0	-74.16	395.57	3.86	-70.30
C[N@@H+](CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029092543	1	53	0.0	-74.27	396.07	3.88	-70.39
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029092544	0	54	0.0	-77.84	425.04	5.79	-72.05
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029092544	1	54	0.0	-78.06	425.87	5.76	-72.30
CC[C@@H](C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029092556	0	47	0.0	-71.38	356.16	2.36	-69.02
CC(COCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCC1	REAL300029092564	0	55	0.0	-73.81	425.31	4.09	-69.72
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC[NH+](CC2CC2)CC1	REAL300029092681	0	55	0.0	-80.51	419.68	5.23	-75.28
C[N@@H+]1C[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)[C@@H](C2=CC=CC=C2)C1	REAL300029092744	0	55	0.0	-90.56	430.08	5.65	-84.91
C[N@H+]1C[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)[C@@H](C2=CC=CC=C2)C1	REAL300029092744	1	55	0.0	-86.30	428.44	5.74	-80.56
C[NH+]1CCC(O)(CC(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029092855	0	52	0.0	-77.14	396.44	1.68	-75.46
COCC[N@@H+]1CCCC1CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029092864	0	55	0.0	-76.69	415.23	2.67	-74.02
COCC[N@H+]1CCCC1CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029092864	1	55	0.0	-73.88	424.57	2.79	-71.09
O=C(C[NH+]1CCC(CO)CC1)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029092877	1	52	0.0	-75.74	399.13	0.49	-75.25
O=C(C[NH+]1CCCCCC1)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029092881	0	51	0.0	-73.79	377.06	3.41	-70.38
CN1C=C[N+](CC(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029092886	0	43	0.0	-71.67	357.14	4.87	-66.80
C[N@@H+]1CCCC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029092899	0	48	0.0	-66.85	364.22	3.19	-63.66
C[N@H+]1CCCC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029092899	1	48	0.0	-68.55	365.08	3.15	-65.40
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@@H+]1C1CC1	REAL300029092904	0	49	0.0	-74.71	376.15	3.17	-71.54
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@H+]1C1CC1	REAL300029092904	1	49	0.0	-68.80	378.47	3.70	-65.10
CC(C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300029092945	1	45	0.0	-71.50	353.60	2.41	-69.09
CCC(CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029092957	0	53	0.0	-79.00	398.61	4.16	-74.84
C[NH+](C)CC(C)(C)C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029092966	0	50	0.0	-71.74	373.04	3.02	-68.72
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C12CC(C1)C[N@@H+]2C1CC1	REAL300029092990	0	50	0.0	-61.41	374.31	5.62	-55.79
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C12CC(C1)C[N@H+]2C1CC1	REAL300029092990	1	50	0.0	-51.43	375.41	5.82	-45.61
O=C(C[NH+]1CCC(O)CC1)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029093018	1	49	0.0	-77.90	378.71	-0.12	-78.02
C[N@H+](CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029093020	0	45	0.0	-71.32	356.02	2.74	-68.58
C[N@@H+](CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029093020	1	45	0.0	-71.94	355.30	2.76	-69.18
CC(C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300029093021	1	53	0.0	-75.33	396.81	1.19	-74.14
C[NH+]1CC(CC(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029093057	0	45	0.0	-76.02	357.00	2.10	-73.92
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@@H+]1C1CCCC1	REAL300029093061	0	52	0.0	-74.45	389.85	3.68	-70.77
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@H+]1C1CCCC1	REAL300029093061	1	52	0.0	-73.51	391.11	3.81	-69.70
CC(C)(C)[N@@H+]1CCC1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029093070	0	51	0.0	-71.45	386.95	3.05	-68.40
CC(C)(C)[N@H+]1CCC1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029093070	1	51	0.0	-72.85	368.91	2.86	-69.99
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300029093083	0	51	0.0	-78.75	400.47	1.85	-76.90
C[C@@H](C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029093087	0	44	0.0	-73.61	343.76	1.78	-71.83
CCC1CCC[N@H+](CC(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029093146	0	54	0.0	-73.06	400.24	4.00	-69.06
CCC1CCC[N@@H+](CC(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029093146	1	54	0.0	-75.26	400.71	4.41	-70.85
C[NH+](C)CC1=CC=C(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)N1	REAL300029093156	0	49	0.0	-90.21	393.60	2.51	-87.70
C[NH+]1C2CCC1CC(CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300029093173	0	55	0.0	-76.67	392.89	3.75	-72.92
C[NH+](C)C(CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300029093180	0	54	0.0	-81.66	415.87	5.38	-76.28
[NH2+]=C1SC=CN1CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029093228	0	41	0.0	-71.30	352.79	1.52	-69.78
C[N@H+](CCO)CCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029093241	0	48	0.0	-76.50	376.17	-0.68	-77.18
C[N@@H+](CCO)CCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029093241	1	48	0.0	-76.67	376.13	-0.69	-77.36
C[C@@H](C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029093242	0	44	0.0	-73.61	343.76	1.78	-71.83
C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029093247	0	48	0.0	-71.68	359.36	2.76	-68.92
C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029093247	1	48	0.0	-69.83	367.70	2.95	-66.88
CC1CN2CC[N@@H+]1CC2C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029093258	0	51	0.0	-82.94	379.53	0.34	-82.60
CC1CN2CC[N@H+]1CC2C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029093258	1	51	0.0	-85.01	377.98	0.24	-84.77
COC1C[N@@H+]2CCCC2(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029093312	0	53	0.0	-68.62	403.22	2.17	-66.45
COC1C[N@H+]2CCCC2(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029093312	1	53	0.0	-75.82	403.81	2.32	-73.50
O=C(CC1=CC2=C[NH+]=CN2C=C1)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029093330	0	46	0.0	-73.97	380.12	5.49	-68.48
C[N@H+](CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029093367	0	49	0.0	-79.15	385.06	3.55	-75.60
C[N@@H+](CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029093367	1	49	0.0	-79.36	385.25	3.60	-75.76
O=C(C[NH+]1CCC1)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029093368	1	42	0.0	-74.71	335.94	1.81	-72.90
C[NH+](C)CC1=CC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=CC=N1	REAL300029093412	1	50	0.0	-75.24	400.90	2.98	-72.26
C[N@@H+]1CCC(=CC(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029093414	0	46	0.0	-79.49	364.88	2.90	-76.59
C[N@H+]1CCC(=CC(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029093414	1	46	0.0	-79.92	364.65	2.91	-77.01
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1C[NH+](C2CCCCC2)C1	REAL300029093445	0	55	0.0	-74.24	417.41	4.71	-69.53
C[NH+](C)CCOCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029093466	0	48	0.0	-74.84	381.48	2.39	-72.45
CCCCC[N@H+](C)CCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029093474	0	56	0.0	-78.57	430.50	4.87	-73.70
CCCCC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029093474	1	56	0.0	-78.67	430.31	4.85	-73.82
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029093486	0	52	0.0	-77.61	405.68	3.29	-74.32
C=CCC(C)(C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029093498	0	51	0.0	-54.22	371.20	4.34	-49.88
C[S+](C)CCC(O)C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029093503	0	47	0.0	-80.57	391.58	0.99	-79.58
C[N@@H+]1CC(O)CC1(C)C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029093546	0	49	0.0	-80.10	373.59	-0.55	-80.65
CN1CC[N@H+](C)CC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029093561	0	53	0.0	-72.33	397.82	1.08	-71.25
CN1CC[N@@H+](C)CC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029093561	1	53	0.0	-72.33	397.82	1.08	-71.25
CC(C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300029093562	0	52	0.0	-74.83	394.76	0.46	-74.37
O=C(CN1CCC(CO)CC1)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029093580	0	52	0.0	-75.74	399.13	0.49	-75.25
O=C(C[NH+]1CCC(CO)CC1)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029093580	1	52	0.0	-75.74	399.13	0.49	-75.25
C[N@@H+]1CCCC(O)(CC(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029093591	0	52	0.0	-68.79	396.83	1.60	-67.19
C[N@H+]1CCCC(O)(CC(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029093591	1	52	0.0	-68.79	396.83	1.60	-67.19
CC1CN(CC(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029093595	0	45	0.0	-75.84	356.80	2.48	-73.36
CC1C[NH+](CC(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029093595	1	45	0.0	-75.84	356.80	2.48	-73.36
CN(CCO)CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029093627	0	45	0.0	-75.74	353.80	-1.26	-77.00
C[N@H+](CCO)CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029093627	1	45	0.0	-75.09	354.78	-1.22	-76.31
C[N@@H+](CCO)CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029093627	1	45	0.0	-75.09	354.78	-1.22	-76.31
C[NH+]1C2CCC1CC(=CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300029093660	0	53	0.0	-75.52	398.77	4.34	-71.18
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1C[N@@H+]2CCN1CCC2	REAL300029093665	0	51	0.0	-84.99	373.61	1.13	-83.86
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1C[N@H+]2CCN1CCC2	REAL300029093665	1	51	0.0	-84.99	373.61	1.13	-83.86
CC[N@@H+]1CCCC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029093676	0	51	0.0	-68.19	381.87	3.85	-64.34
CC[N@H+]1CCCC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029093676	1	51	0.0	-68.19	381.87	3.85	-64.34
CC(CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029093678	0	50	0.0	-77.56	383.09	3.36	-74.20
CC[N@H+](C)CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029093696	0	44	0.0	-74.03	343.63	2.03	-72.00
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C12CCC[N@@H+]1CCCC2	REAL300029093728	0	52	0.0	-53.19	370.94	5.15	-48.04
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C12CCC[N@H+]1CCCC2	REAL300029093728	1	52	0.0	-53.19	370.94	5.15	-48.04
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C12CCC[N@@H+]1CC=CC2	REAL300029093738	0	50	0.0	-52.97	364.92	4.76	-48.21
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C12CCC[N@H+]1CC=CC2	REAL300029093738	1	50	0.0	-52.97	364.92	4.76	-48.21
CC[N@H+](CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029093771	0	48	0.0	-71.80	371.31	3.36	-68.44
CC[NH+](CC)CCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029093796	0	50	0.0	-76.40	383.12	3.28	-73.12
O=C(CCCC[NH+]1CCCCC1)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029093843	0	57	0.0	-77.77	432.73	5.34	-72.43
CC1(O)CC[N@H+](CC(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029093881	0	49	0.0	-73.25	381.75	-0.24	-73.49
CC1(O)CC[N@@H+](CC(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029093881	1	49	0.0	-72.85	381.63	-0.26	-73.11
C[NH+](C)CC=CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029093894	0	45	0.0	-81.01	363.12	2.60	-78.41
CC(OCC[NH+](C)C)C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029093925	0	51	0.0	-76.56	400.43	3.18	-73.38
C[NH+](C)CCOCCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029093938	0	51	0.0	-76.84	402.69	2.16	-74.68
COCC[N@H+](C)CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029093939	1	48	0.0	-74.70	377.03	1.18	-73.52
COCC[N@@H+](C)CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029093939	1	48	0.0	-75.97	376.05	1.14	-74.83
COCCCC[N@H+](C)CCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029093977	0	57	0.0	-81.53	442.67	3.17	-78.36
COCCCC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029093977	1	57	0.0	-81.67	442.49	3.14	-78.53
C[NH+](C)C1(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029094005	0	51	0.0	-60.26	364.40	4.92	-55.34
CC(CCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029094008	0	50	0.0	-76.22	383.07	3.08	-73.14
CC[N@@H+]1CCC1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029094019	1	45	0.0	-71.49	350.69	2.08	-69.41
CC[N@H+]1CCC1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029094019	1	45	0.0	-72.43	348.89	2.23	-70.20
CC(C)[N@@H+]1CCCC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029094035	0	54	0.0	-73.10	404.78	4.16	-68.94
CC(C)[N@H+]1CCCC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029094035	1	54	0.0	-73.62	404.79	4.16	-69.46
CN1C=C[NH+]=C1N1CCC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029094036	1	52	0.0	-69.71	401.53	3.17	-66.54
CC(C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[N@H+](C)CC1=CC=CC=C1	REAL300029094043	0	54	0.0	-74.64	420.88	5.38	-69.26
CC(C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[N@@H+](C)CC1=CC=CC=C1	REAL300029094043	1	54	0.0	-75.51	420.63	5.35	-70.16
O=C(C[N@H+]1CCCC1CO)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029094052	0	49	0.0	-73.98	380.84	-0.19	-74.17
O=C(C[N@@H+]1CCCC1CO)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029094052	1	49	0.0	-74.31	380.53	0.03	-74.28
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@@H+]2C1	REAL300029094085	0	52	0.0	-74.03	393.37	4.01	-70.02
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@H+]2C1	REAL300029094085	1	52	0.0	-77.87	394.18	4.02	-73.85
C[NH+]1CCC(C)(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029094096	0	51	0.0	-71.76	383.99	3.41	-68.35
C[NH+](C)CC1=CNC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029094103	0	49	0.0	-81.97	393.13	2.66	-79.31
CC(C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300029094125	1	52	0.0	-74.82	392.32	0.10	-74.72
C#CC1(O)CC[NH+](C(C)C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029094134	1	54	0.0	-73.42	413.13	1.17	-72.25
C=CCC(C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029094146	0	48	0.0	-70.44	369.22	2.84	-67.60
C[NH+](C)C12CCC(C(=O)NC[C@@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)(CC1)CC2	REAL300029094159	0	58	0.0	-84.70	416.38	4.58	-80.12
C[N@@H+]1CC(C)(C)CC1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029094167	0	51	0.0	-69.85	391.77	3.40	-66.45
C[N@H+]1CC(C)(C)CC1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029094167	1	51	0.0	-74.79	386.32	2.94	-71.85
C[NH+](C)CCCCCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029094172	0	53	0.0	-78.10	412.77	4.28	-73.82
O=C(C[NH+]1CC2CC2C1)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029094184	0	46	0.0	-74.49	361.23	3.24	-71.25
CC1C[N@@H+](C2CCC2C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029094205	0	56	0.0	-70.94	421.72	3.75	-67.19
CC1C[N@H+](C2CCC2C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029094205	1	56	0.0	-65.54	420.33	3.50	-62.04
CC1C[N@@H+]2CCN1C(C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300029094233	0	51	0.0	-86.81	379.69	0.42	-86.39
CC1C[N@H+]2CCN1C(C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300029094233	1	51	0.0	-74.46	371.56	1.02	-73.44
CCCC(C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029094235	0	50	0.0	-72.52	380.63	3.31	-69.21
C[NH+](C)C(C)(C)C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029094241	0	47	0.0	-54.44	343.28	3.13	-51.31
CC[NH+](CC)CCSCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029094290	0	54	0.0	-80.21	424.10	4.38	-75.83
C[N@@H+]1CCCCC1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029094302	0	48	0.0	-71.70	359.39	2.76	-68.94
C[N@H+]1CCCCC1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029094302	1	48	0.0	-73.36	359.46	2.77	-70.59
C[N@H+]1CC=C(CC(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029094364	0	49	0.0	-74.20	384.99	3.72	-70.48
C[N@@H+]1CC=C(CC(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029094364	1	49	0.0	-71.90	385.02	3.67	-68.23
O=C(CC1([NH+]2CCCC2)CC1)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029094377	0	52	0.0	-72.80	391.83	4.07	-68.73
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1(C[NH+]2CCCC2)CCCC1	REAL300029094404	0	58	0.0	-60.59	414.27	6.94	-53.65
C[N@@H+]1CCCC(C(C)(C)C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029094444	0	57	0.0	-80.11	409.10	4.00	-76.11
C[N@H+]1CCCC(C(C)(C)C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029094444	1	57	0.0	-80.11	409.10	4.00	-76.11
CN(C)CC1=CC=C(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029094449	0	48	0.0	-83.57	390.41	3.19	-80.38
C[NH+](C)CC1=CC=C(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029094449	1	48	0.0	-83.57	390.41	3.19	-80.38
O=C(C=CC[NH+]1CCCC1)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029094476	0	49	0.0	-79.99	387.65	3.66	-76.33
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC[NH+](C2CC2)CC1	REAL300029094508	0	52	0.0	-79.23	393.32	4.14	-75.09
C[N@@H+]1CC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C(C(F)(F)F)C1	REAL300029094533	0	48	0.0	-85.11	379.96	3.63	-81.48
C[N@H+]1CC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C(C(F)(F)F)C1	REAL300029094533	1	48	0.0	-85.11	379.96	3.63	-81.48
O=C(CC[NH+]1CCCC1)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029094539	0	48	0.0	-76.83	374.08	2.99	-73.84
CN1CC(N2CC(C(=O)NC[C@@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2=O)C1	REAL300029094550	0	53	0.0	-77.38	414.43	2.08	-75.30
C[NH+]1CC(N2CC(C(=O)NC[C@@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2=O)C1	REAL300029094550	1	53	0.0	-77.38	414.43	2.08	-75.30
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCN1CC2	REAL300029094601	0	48	0.0	-81.87	363.10	-0.18	-82.05
C[N@@H+]1CC2CC1(C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300029094612	0	46	0.0	-52.40	341.35	3.70	-48.70
CC1=C(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C=NN1CC[NH+](C)C	REAL300029094628	0	54	0.0	-83.96	426.88	3.31	-80.65
O=C(C[N@@H+]1CC2CCC1C2)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029094631	0	49	0.0	-72.19	370.50	3.25	-68.94
O=C(C[N@H+]1CC2CCC1C2)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029094631	1	49	0.0	-72.19	370.50	3.25	-68.94
CC(C)[NH+]1CCC(CC(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029094648	0	57	0.0	-74.17	419.58	4.63	-69.54
O=C(C=C1C[NH+]2CCC1CC2)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029094703	0	50	0.0	-69.95	382.24	3.77	-66.18
O=C(CN1CC2C=CC1C2)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029094716	0	47	0.0	-70.25	365.57	3.20	-67.05
O=C(C[N@@H+]1CC2C=CC1C2)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029094716	1	47	0.0	-71.19	365.69	3.19	-68.00
O=C(C[N@H+]1CC2C=CC1C2)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029094716	1	47	0.0	-71.19	365.69	3.19	-68.00
C[NH+](C)CC(C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300029094759	0	54	0.0	-85.08	421.78	5.45	-79.63
CC(C[NH+](C)C)C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029094793	0	47	0.0	-77.39	365.13	2.60	-74.79
C[N@@H+]1CCCCC1CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029094905	0	51	0.0	-78.06	384.98	3.55	-74.51
C[N@H+]1CCCCC1CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029094905	1	51	0.0	-79.19	385.71	3.52	-75.67
CC1=C2C=C(C(=O)NC[C@@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029094928	1	46	0.0	-80.61	378.20	5.45	-75.16
CC(C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300029094929	1	48	0.0	-71.66	373.22	3.06	-68.60
CC1CC[N@@H+]1CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029094933	1	45	0.0	-73.30	357.22	2.45	-70.85
CC1CC[N@H+]1CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029094933	1	45	0.0	-74.03	356.97	2.44	-71.59
C[NH+](C)CC(O)CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029094938	0	48	0.0	-81.52	378.28	0.37	-81.15
CC1C[N@H+](C)CC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029094979	1	49	0.0	-89.21	377.68	2.53	-86.68
CC1C[N@@H+](C)CC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029094979	1	49	0.0	-91.63	378.07	2.08	-89.55
O=C(CC[NH+]1CCC(O)CC1)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029094993	0	52	0.0	-79.24	400.97	0.44	-78.80
CCC[N@@H+]1CCCCC1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029094996	0	54	0.0	-71.56	398.80	4.17	-67.39
CCC[N@H+]1CCCCC1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029094996	1	54	0.0	-72.37	398.61	4.16	-68.21
CC[NH+]1CCN(CCC(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029095000	0	56	0.0	-77.76	424.32	1.99	-75.77
CCN1CC[NH+](CCC(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029095000	1	56	0.0	-78.02	424.32	2.00	-76.02
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300029095003	0	55	0.0	-77.71	397.12	4.06	-73.65
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300029095003	1	55	0.0	-66.45	400.36	4.84	-61.61
CC(C)C[NH+]1CCC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029095057	0	57	0.0	-79.83	427.08	5.11	-74.72
C[NH+](C)C1CCN(CC(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029095090	0	56	0.0	-76.95	420.65	2.07	-74.88
C[NH+](C)[C@H]1C[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029095115	0	48	0.0	-75.71	376.27	3.06	-72.65
CC(CC[NH+](C)C)C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029095125	0	50	0.0	-77.38	385.93	3.26	-74.12
C[N@H+](CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029095163	0	52	0.0	-69.35	396.48	0.78	-68.57
C[N@@H+](CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029095163	1	52	0.0	-72.55	396.82	0.58	-71.97
C#CC[N@H+]1CCCCC1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029095173	1	50	0.0	-72.88	383.69	3.97	-68.91
C#CC[N@@H+]1CCCCC1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029095173	1	50	0.0	-72.14	392.99	4.13	-68.01
C[NH+](C)C(CC1=CC=CC=C1)C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029095179	0	54	0.0	-77.46	413.81	5.27	-72.19
C[NH+]1CCN(CC(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029095181	1	50	0.0	-76.22	384.90	0.86	-75.36
CC[NH+]1CCN(CC(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029095194	0	53	0.0	-74.97	402.64	1.54	-73.43
NC(=[NH2+])SCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029095227	0	39	0.0	-78.00	333.64	-1.72	-79.72
CC[N@@H+]1CCOCC1CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029095281	0	52	0.0	-80.32	393.79	1.81	-78.51
C[NH+](C)CCC1(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029095303	0	57	0.0	-58.57	405.98	6.12	-52.45
CC1CCCC(C)[NH+]1CCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029095305	0	57	0.0	-73.99	416.84	4.43	-69.56
C[NH+](C)C1CCC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029095308	0	54	0.0	-74.36	398.20	4.05	-70.31
C[NH+](C)CCC1(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029095309	0	51	0.0	-64.69	394.96	5.04	-59.65
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029095313	0	54	0.0	-68.42	399.04	4.02	-64.40
C[N@@H+]1CC=CCC1CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029095314	0	49	0.0	-66.19	372.99	3.34	-62.85
C[N@H+]1CC=CCC1CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029095314	1	49	0.0	-66.19	372.99	3.34	-62.85
C[C@@H](OCC[NH+](C)C)C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029095351	0	51	0.0	-71.74	401.51	3.11	-68.63
C[NH+]1C2CCC1CC(C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300029095395	0	52	0.0	-78.41	386.05	3.60	-74.81
C[NH+]1CCC(O)(C2(C(=O)NC[C@@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029095523	0	56	0.0	-69.87	416.29	2.29	-67.58
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1(CC[NH+]2CCCCC2)CC1	REAL300029095552	0	58	0.0	-62.48	436.61	6.92	-55.56
CC(C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300029095578	1	49	0.0	-73.97	384.84	3.34	-70.63
CCC1C[NH+](CC(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029095581	1	48	0.0	-75.37	378.55	3.24	-72.13
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1C[NH+](C2CCOCC2)C1	REAL300029095583	0	53	0.0	-80.32	409.94	2.29	-78.03
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1([NH+]2CCCC2)CCC1	REAL300029095585	0	52	0.0	-52.42	372.29	5.56	-46.86
C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029095597	1	45	0.0	-75.67	345.77	1.89	-73.78
O=C(CC[N@@H+]1CCC(F)C1)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029095607	1	48	0.0	-81.26	380.15	3.17	-78.09
COC1C[N@@H+](C)C(C)(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029095618	1	52	0.0	-75.96	396.01	1.80	-74.16
O=C(CC[NH+]1CCCCCC1)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029095632	0	54	0.0	-78.91	400.76	3.96	-74.95
O=C(C[NH+]1CCCCC1)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029095636	0	48	0.0	-74.28	367.86	3.21	-71.07
CC1C(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029095646	0	48	0.0	-76.15	367.56	2.97	-73.18
CC1C(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029095646	1	48	0.0	-73.36	367.04	2.55	-70.81
C[N@@H+]1CCCCC1CCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029095649	0	54	0.0	-75.29	407.69	4.25	-71.04
C[N@H+]1CCCCC1CCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029095649	1	54	0.0	-74.50	407.71	4.27	-70.23
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@@H+]2CCOCC12	REAL300029095694	0	50	0.0	-71.27	380.61	1.66	-69.61
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@H+]2CCOCC12	REAL300029095694	1	50	0.0	-81.13	385.35	1.66	-79.47
CC1=[NH+]C=C2C=CC(C(=O)NC[C@@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)=CN21	REAL300029095703	0	46	0.0	-73.19	377.43	4.66	-68.53
CN1CCOCC1CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029095726	0	49	0.0	-83.03	376.45	1.16	-81.87
C[N@@H+]1CCOCC1CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029095726	1	49	0.0	-82.46	375.88	1.20	-81.26
C[N@H+]1CCOCC1CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029095726	1	49	0.0	-83.03	376.45	1.16	-81.87
CC1=C(C)[NH+]=C(CCC(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)N1	REAL300029095740	1	49	0.0	-71.33	395.97	2.64	-68.69
C[NH+](C)CCC1=CC=CC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029095753	0	54	0.0	-79.56	426.50	5.70	-73.86
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCN1CC1=CC=CC=C1	REAL300029095758	0	52	0.0	-79.09	418.25	5.32	-73.77
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300029095758	1	52	0.0	-77.99	418.44	5.35	-72.64
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@H+]1CC1=CC=CC=C1	REAL300029095758	1	52	0.0	-79.09	418.25	5.32	-73.77
CC(C)C[N@@H+]1CCCC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029095762	0	57	0.0	-67.90	418.81	5.23	-62.67
CC(C)C[N@H+]1CCCC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029095762	1	57	0.0	-75.90	428.19	5.05	-70.85
C[N@@H+]1CCCC1C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029095921	0	45	0.0	-68.79	347.51	1.96	-66.83
C[N@H+]1CCCC1C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029095921	1	45	0.0	-71.09	347.28	1.94	-69.15
CC1=[NH+]C=CN1CCCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029096116	1	49	0.0	-69.10	400.28	4.35	-64.75
O=C(CCCC[NH+]1CCOCC1)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029096120	1	55	0.0	-76.48	427.58	3.06	-73.42
C[NH+](C)CC1=CC=C(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300029096124	0	51	0.0	-80.38	398.25	5.39	-74.99
O=C(CC[NH+]1CCOCC1)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029096125	1	49	0.0	-75.77	384.33	1.49	-74.28
CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029096147	0	59	0.0	-72.43	451.66	5.68	-66.75
O=C(NC[C@@H]1CCCN1C(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC(=O)[N-]O1	REAL300029096179	1	43	0.0	-76.22	350.45	5.48	-70.74
C[NH+](C)C1CCCC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029096258	0	54	0.0	-51.46	392.77	4.67	-46.79
C[N@@H+]1CCC(CC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029096265	0	48	0.0	-73.66	375.85	3.05	-70.61
C[N@H+]1CCC(CC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029096265	1	48	0.0	-74.10	375.57	3.08	-71.02
CCC(C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029096282	0	47	0.0	-62.13	354.58	3.36	-58.77
O=C(NC[C@@H]1CCCN1C(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1)C1=CC(=O)[N-]O1	REAL300029096292	1	46	0.0	-85.24	386.38	3.10	-82.14
CC1CC2CCC(C(=O)N3CCC[C@H]3CNC(=O)C3=CC(=O)[N-]O3)C[N@@H+]2C1	REAL300029096342	0	55	0.0	-59.32	402.94	5.58	-53.74
CC1CC2CCC(C(=O)N3CCC[C@H]3CNC(=O)C3=CC(=O)[N-]O3)C[N@H+]2C1	REAL300029096342	1	55	0.0	-54.69	403.27	5.63	-49.06
C[NH+](C)CCCCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029096376	0	50	0.0	-74.69	394.75	3.60	-71.09
CCC[N@H+](C)CCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029096399	0	50	0.0	-73.89	390.65	3.47	-70.42
CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029096399	1	50	0.0	-73.51	390.99	3.43	-70.08
CCC[N@H+](C)CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029096404	0	47	0.0	-70.74	368.13	2.88	-67.86
CCC[N@@H+](C)CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029096404	1	47	0.0	-70.74	368.13	2.88	-67.86
O=C(NC[C@@H]1CCCN1C(=O)C12CC[N@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300029096429	0	49	0.0	-68.59	359.21	3.22	-65.37
O=C(NC[C@@H]1CCCN1C(=O)C12CC[N@@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300029096429	1	49	0.0	-73.89	362.65	2.30	-71.59
CCCCCC[N@H+](C)CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029096473	0	56	0.0	-71.99	432.63	5.22	-66.77
CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029096473	1	56	0.0	-72.01	432.63	5.22	-66.79
CC1CC[NH+](CC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029096526	0	51	0.0	-70.76	391.93	3.91	-66.85
O=C(NC[C@@H]1CCCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C1=CC(=O)[N-]O1	REAL300029096554	1	46	0.0	-74.04	378.70	3.34	-70.70
C[NH+]1CCC(OCC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029096562	0	52	0.0	-79.03	409.05	3.59	-75.44
O=C(NC[C@@H]1CCCN1C(=O)C1CC2CCCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300029096624	0	52	0.0	-70.53	393.26	3.99	-66.54
O=C(NC[C@@H]1CCCN1C(=O)C1CC2CCCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300029096624	1	52	0.0	-73.79	395.33	4.04	-69.75
C[NH+](C)CC1(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029096643	0	48	0.0	-73.55	372.07	3.88	-69.67
CC1=[NH+]C=C2CCC(C(=O)N3CCC[C@H]3CNC(=O)C3=CC(=O)[N-]O3)CN21	REAL300029096644	1	50	0.0	-62.33	390.33	4.83	-57.50
CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029096655	0	54	0.0	-73.68	404.46	4.05	-69.63
CC[N@H+](C)CCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029096690	0	47	0.0	-73.08	369.15	2.73	-70.35
CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029096690	1	47	0.0	-73.01	369.15	2.71	-70.30
O=C(NC[C@@H]1CCCN1C(=O)C1CC[N@@H+](C2CCCCC2)C1)C1=CC(=O)[N-]O1	REAL300029096729	0	58	0.0	-71.45	431.75	5.19	-66.26
O=C(NC[C@@H]1CCCN1C(=O)C1CC[N@H+](C2CCCCC2)C1)C1=CC(=O)[N-]O1	REAL300029096729	1	58	0.0	-71.79	430.21	5.20	-66.59
O=C(NC[C@@H]1CCCN1C(=O)C1C[NH+]2CCC1CC2)C1=CC(=O)[N-]O1	REAL300029096746	0	49	0.0	-80.30	365.88	2.93	-77.37
C[NH+]1CCC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029096837	0	48	0.0	-76.08	370.15	2.87	-73.21
O=C(NC[C@@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1)C1=CC(=O)[N-]O1	REAL300029096936	0	55	0.0	-75.84	415.56	4.80	-71.04
CC[NH+](CC)CC(F)C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029096984	0	50	0.0	-72.99	385.99	3.11	-69.88
CC(C)C[N@@H+]1CCC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029097020	0	54	0.0	-72.13	410.19	4.33	-67.80
CC(C)C[N@H+]1CCC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029097020	1	54	0.0	-71.50	409.14	4.24	-67.26
CCC(C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300029097053	0	53	0.0	-58.31	385.74	4.51	-53.80
CC1CCC[N@@H+]1CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029097079	0	48	0.0	-67.37	374.53	3.21	-64.16
CC1CCC[N@H+]1CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029097079	1	48	0.0	-67.83	373.99	3.14	-64.69
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029097177	1	52	0.0	-66.62	414.30	4.67	-61.95
CC(C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300029097181	0	54	0.0	-66.68	396.63	3.85	-62.83
CC(C)[N@@H+]1CCCC1C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029097215	0	51	0.0	-63.71	364.77	4.24	-59.47
CC(C)[N@H+]1CCCC1C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029097215	1	51	0.0	-66.29	384.10	3.44	-62.85
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029097228	0	54	0.0	-60.98	396.39	5.14	-55.84
CC(C)[N@H+]1CCCC1CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029097228	1	54	0.0	-66.02	395.05	4.56	-61.46
CC1CC[N@H+](CC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029097285	0	48	0.0	-69.99	375.25	3.20	-66.79
CC1CC[N@@H+](CC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029097285	1	48	0.0	-69.91	374.79	3.22	-66.69
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029097286	0	54	0.0	-67.60	407.52	3.64	-63.96
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029097286	1	54	0.0	-66.96	406.18	3.58	-63.38
CC1=[NH+]C=C2CC(C(=O)N3CCC[C@H]3CNC(=O)C3=CC(=O)[N-]O3)CCN21	REAL300029097287	1	50	0.0	-68.69	390.78	4.90	-63.79
C[NH+](C)CCC1=CC=C(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300029097289	0	54	0.0	-82.04	420.71	6.22	-75.82
CC1(C)CC[N@H+](CC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029097291	0	51	0.0	-69.35	394.27	3.69	-65.66
CC1(C)CC[N@@H+](CC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029097291	1	51	0.0	-69.69	393.97	3.71	-65.98
C[N@H+](CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029097292	0	53	0.0	-70.63	396.37	3.91	-66.72
C[N@@H+](CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029097292	1	53	0.0	-70.54	399.35	4.02	-66.52
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029097293	0	54	0.0	-74.19	428.04	5.91	-68.28
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029097293	1	54	0.0	-73.67	428.49	5.87	-67.80
CC[C@@H](C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029097302	0	47	0.0	-70.07	358.46	2.47	-67.60
CC(COCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCC1	REAL300029097309	0	55	0.0	-70.38	427.88	4.24	-66.14
CN(CCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1=CC=[NH+]C=C1	REAL300029097476	0	50	0.0	-70.73	403.82	3.09	-67.64
CC1=[NH+]C=CN1CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029097594	1	43	0.0	-66.32	357.79	3.02	-63.30
CC(C[NH+]1CCOCC1)C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029097596	1	52	0.0	-66.52	395.99	2.78	-63.74
O=C(CCC[NH+]1CCCCC1)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029097614	0	54	0.0	-72.94	414.36	4.73	-68.21
C[NH+](C)CC1=CC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=NO1	REAL300029097634	1	47	0.0	-78.68	383.93	2.69	-75.99
CC1=C(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300029097636	0	46	0.0	-75.35	376.84	5.97	-69.38
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029097696	1	49	0.0	-65.70	394.74	4.20	-61.50
O=C(NC[C@@H]1CCCN1C(=O)C1CCCC2CCC[N@@H+]21)C1=CC(=O)[N-]O1	REAL300029097751	0	52	0.0	-59.00	388.52	5.01	-53.99
O=C(NC[C@@H]1CCCN1C(=O)C1CCCC2CCC[N@H+]21)C1=CC(=O)[N-]O1	REAL300029097751	1	52	0.0	-63.89	389.06	3.99	-59.90
CC[N@@H+]1CCOC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029097792	1	49	0.0	-81.32	380.24	2.31	-79.01
CC[N@H+]1CCOC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029097792	1	49	0.0	-72.54	372.21	2.11	-70.43
O=C(NC[C@@H]1CCCN1C(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC(=O)[N-]O1	REAL300029097866	0	43	0.0	-69.56	350.21	5.46	-64.10
CC1=C[NH+]=CN1CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029097871	1	43	0.0	-70.09	359.13	3.77	-66.32
C[NH+](C)CCN1C=C(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C=N1	REAL300029097877	0	51	0.0	-75.07	403.72	3.38	-71.69
C[NH+](C)CCN1C=CC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300029097891	0	51	0.0	-87.47	410.30	3.22	-84.25
C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029097898	0	48	0.0	-74.49	365.70	2.86	-71.63
C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029097898	1	48	0.0	-75.76	371.00	2.65	-73.11
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029097901	1	52	0.0	-66.73	415.05	4.71	-62.02
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029097904	0	51	0.0	-74.32	381.39	2.96	-71.36
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029097904	1	51	0.0	-71.96	385.72	3.52	-68.44
CC1CCC(C)[NH+]1CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029097927	0	51	0.0	-66.35	386.01	3.31	-63.04
O=C(CCC[NH+]1CCCC1)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029097937	0	51	0.0	-72.13	398.19	3.92	-68.21
C[NH+](C)CC1=CC=CC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029097938	0	51	0.0	-68.43	398.32	5.40	-63.03
C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029097947	0	50	0.0	-73.09	391.25	4.95	-68.14
O=C(CC[NH+]1CCCCC1)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029097948	0	51	0.0	-71.92	393.35	3.89	-68.03
O=C(CN1C=[NH+]C2=C1CCCC2)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029097970	1	50	0.0	-69.89	400.71	5.52	-64.37
C[NH+](C)CC1(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL300029098005	0	57	0.0	-71.14	389.70	5.48	-65.66
C[N@H+](CCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300029098009	0	57	0.0	-73.99	427.80	5.07	-68.92
C[N@@H+](CCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300029098009	1	57	0.0	-74.27	427.26	5.09	-69.18
C[NH+](C)C1(CC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029098012	0	54	0.0	-76.05	392.69	3.93	-72.12
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=NN1	REAL300029098027	1	52	0.0	-79.32	412.47	2.72	-76.60
C[N@H+]1CCCC1C1=CC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=NN1	REAL300029098027	1	52	0.0	-78.10	405.99	2.41	-75.69
C[N@H+](CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029098256	0	48	0.0	-68.08	375.20	3.45	-64.63
C[N@@H+](CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029098256	1	48	0.0	-68.09	375.58	3.40	-64.69
CC(C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300029098290	0	54	0.0	-62.62	392.43	4.53	-58.09
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300029098307	0	54	0.0	-78.46	425.78	4.70	-73.76
O=C(CCCC[NH+]1CCCC1)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029098312	0	54	0.0	-73.62	420.18	4.81	-68.81
C[N@H+](CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029098315	1	51	0.0	-75.47	405.56	5.06	-70.41
C[N@@H+](CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029098315	1	51	0.0	-75.00	406.05	5.02	-69.98
C[NH+]1CCC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029098331	0	48	0.0	-76.08	370.15	2.87	-73.21
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029098392	0	45	0.0	-68.02	348.59	1.90	-66.12
C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029098392	1	45	0.0	-67.31	350.20	2.34	-64.97
C[N@@H+]1CCCC1CCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029098421	0	51	0.0	-70.65	390.83	3.46	-67.19
C[N@H+]1CCCC1CCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029098421	1	51	0.0	-75.36	392.71	3.86	-71.50
O=C(NC[C@@H]1CCCN1C(=O)C1CCC2CCCC[N@@H+]21)C1=CC(=O)[N-]O1	REAL300029098438	0	52	0.0	-65.67	393.05	4.26	-61.41
O=C(NC[C@@H]1CCCN1C(=O)C1CCC2CCCC[N@H+]21)C1=CC(=O)[N-]O1	REAL300029098438	1	52	0.0	-65.85	395.75	4.28	-61.57
CCC[N@@H+]1CCCC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029098533	0	54	0.0	-65.75	406.86	5.18	-60.57
CCC[N@H+]1CCCC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029098533	1	54	0.0	-71.03	409.31	4.22	-66.81
CC(C)[N@@H+]1CCOC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029098550	1	52	0.0	-79.19	396.98	2.83	-76.36
CC(C)[N@H+]1CCOC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029098550	1	52	0.0	-69.83	389.14	2.65	-67.18
O=C(C[NH+]1CCC(CO)CC1)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029098637	0	52	0.0	-73.41	402.77	0.60	-72.81
C[NH+]1C2CCC1CC(=CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029098685	0	53	0.0	-71.23	401.48	4.37	-66.86
CC1C(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029098704	0	48	0.0	-71.57	365.90	2.46	-69.11
CC1C(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029098704	1	48	0.0	-67.37	360.68	3.55	-63.82
C[N@@H+]1CCCCC1CCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029098708	0	54	0.0	-70.73	410.13	4.39	-66.34
C[N@H+]1CCCCC1CCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029098708	1	54	0.0	-69.88	410.28	4.43	-65.45
NC1=[NH+]C2=C(C=C1C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029098745	1	48	0.0	-60.50	377.34	3.04	-57.46
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029098824	0	51	0.0	-67.93	389.83	3.17	-64.76
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029098824	1	51	0.0	-63.39	369.74	3.33	-60.06
O=C(NC[C@@H]1CCCN1C(=O)C1CCN(C2=CC=[NH+]C=C2)C1)C1=CC(=O)[N-]O1	REAL300029098844	0	51	0.0	-70.26	401.89	1.92	-68.34
C[C@@H](C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029098850	0	44	0.0	-69.37	345.26	1.83	-67.54
C[NH+](C)CC1=CC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=CC=N1	REAL300029098871	1	50	0.0	-64.66	394.08	3.57	-61.09
C=CCC(C)(C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029098877	0	51	0.0	-71.94	366.87	4.12	-67.82
CC[NH+](CC)CCSCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029098915	0	54	0.0	-76.38	431.16	4.79	-71.59
NC1=C(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C=[NH+]C2=CC=CC=C21	REAL300029098916	1	47	0.0	-64.41	374.90	2.42	-61.99
O=C(CC[NH+]1CCCC1)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029098921	0	48	0.0	-72.33	376.64	3.11	-69.22
C[N@H+](CCO)CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029098930	1	45	0.0	-71.89	356.99	-1.10	-72.99
C[N@@H+](CCO)CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029098930	1	45	0.0	-71.17	356.97	-1.09	-72.26
O=C(NC[C@@H]1CCCN1C(=O)C1C[N@@H+]2CCN1CCC2)C1=CC(=O)[N-]O1	REAL300029098973	0	51	0.0	-83.30	371.78	0.95	-82.35
O=C(NC[C@@H]1CCCN1C(=O)C1C[N@H+]2CCN1CCC2)C1=CC(=O)[N-]O1	REAL300029098973	1	51	0.0	-81.31	371.91	0.82	-80.49
CC(C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300029099012	1	49	0.0	-71.78	379.95	3.11	-68.67
C[N@H+]1CC=C(CC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029099061	0	49	0.0	-69.63	388.47	3.77	-65.86
C[N@@H+]1CC=C(CC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029099061	1	49	0.0	-67.30	388.46	3.77	-63.53
C[NH+]1CC(N2CC(C(=O)N3CCC[C@H]3CNC(=O)C3=CC(=O)[N-]O3)CC2=O)C1	REAL300029099072	1	53	0.0	-73.17	414.03	2.04	-71.13
C[S+](C)CCC(O)C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029099080	0	47	0.0	-77.64	390.13	0.85	-76.79
CN1CC[N@H+](C)CC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029099128	0	53	0.0	-68.35	396.41	1.25	-67.10
CN1CC[N@@H+](C)CC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029099128	1	53	0.0	-68.18	396.00	1.28	-66.90
CC(C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300029099129	0	52	0.0	-63.61	391.25	1.21	-62.40
CC(C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[N@H+]1CCCC(O)C1	REAL300029099129	1	52	0.0	-70.37	395.41	0.49	-69.88
C[N@@H+]1CCCC(O)(CC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029099173	0	52	0.0	-71.02	396.54	1.89	-69.13
C[N@H+]1CCCC(O)(CC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029099173	1	52	0.0	-71.72	386.83	1.71	-70.01
CC1C[NH+](CC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029099179	1	45	0.0	-71.77	358.96	2.61	-69.16
CC[N@@H+]1CCCC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029099186	0	51	0.0	-63.56	380.98	3.64	-59.92
CC[N@H+]1CCCC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029099186	1	51	0.0	-55.01	376.75	4.54	-50.47
NC1=[NH+]C=CC=C1CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029099202	0	44	0.0	-65.28	363.63	1.26	-64.02
O=C(NC[C@@H]1CCCN1C(=O)C1CCC[N@@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300029099214	0	49	0.0	-65.64	382.29	3.74	-61.90
O=C(NC[C@@H]1CCCN1C(=O)C1CCC[N@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300029099214	1	49	0.0	-64.99	367.59	3.98	-61.01
CC1C[N@@H+](C2CCC2C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029099244	0	56	0.0	-61.21	413.18	4.25	-56.96
CC1C[N@H+](C2CCC2C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029099244	1	56	0.0	-70.79	431.74	3.23	-67.56
O=C(NC[C@@H]1CCCN1C(=O)C1=CC=C(C[NH+]2CCCC2)O1)C1=CC(=O)[N-]O1	REAL300029099265	0	52	0.0	-78.93	416.45	4.42	-74.51
O=C(C=CC[NH+]1CCCC1)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029099272	0	49	0.0	-75.52	391.00	3.84	-71.68
O=C(NC[C@@H]1CCCN1C(=O)C1CC[NH+](C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300029099303	0	52	0.0	-73.21	399.40	4.27	-68.94
CC[N@H+](C)CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029099354	0	44	0.0	-70.53	346.63	2.13	-68.40
O=C(CN1CC2C=CC1C2)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029099428	0	47	0.0	-68.36	368.77	3.40	-64.96
O=C(C[N@@H+]1CC2C=CC1C2)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029099428	1	47	0.0	-66.75	368.35	3.32	-63.43
O=C(C[N@H+]1CC2C=CC1C2)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029099428	1	47	0.0	-66.75	368.35	3.32	-63.43
CC1=CC=C(NCCC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)N=C1	REAL300029099452	0	50	0.0	-67.94	408.26	2.86	-65.08
CC1=CC=C(NCCC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)[NH+]=C1	REAL300029099452	1	50	0.0	-67.94	408.26	2.86	-65.08
CC(OCC[NH+](C)C)C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029099609	0	51	0.0	-72.21	399.88	2.93	-69.28
C[NH+](C)CCOCCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029099622	0	51	0.0	-72.88	406.21	2.25	-70.63
COCCN(C)CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029099624	0	48	0.0	-70.17	379.70	1.29	-68.88
COCC[N@H+](C)CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029099624	1	48	0.0	-72.17	379.24	1.30	-70.87
COCC[N@@H+](C)CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029099624	1	48	0.0	-72.17	379.24	1.30	-70.87
CC(CCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029099633	0	50	0.0	-71.29	386.16	3.24	-68.05
CC[N@H+](CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029099675	0	48	0.0	-69.68	370.82	3.40	-66.28
CC1C[N@@H+]2CCN1C(C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029099686	0	51	0.0	-70.87	365.52	1.43	-69.44
CC1=NC(N)=CC=C1C=CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029099736	0	48	0.0	-72.53	392.64	2.11	-70.42
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029099736	1	48	0.0	-72.53	392.64	2.11	-70.42
CC1=C(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C=NN1CC[NH+](C)C	REAL300029099742	0	54	0.0	-76.13	419.33	3.91	-72.22
O=C(C[N@@H+]1CC2CCC1C2)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029099745	0	49	0.0	-67.79	373.29	3.42	-64.37
O=C(C[N@H+]1CC2CCC1C2)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029099745	1	49	0.0	-67.79	373.29	3.42	-64.37
CC(C)[NH+]1CCC(CC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029099764	0	57	0.0	-67.17	426.90	5.03	-62.14
CC(C[NH+](C)C)C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029099779	0	47	0.0	-73.04	363.58	2.47	-70.57
C[N@@H+]1CC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C(C(F)(F)F)C1	REAL300029099792	0	48	0.0	-76.64	382.27	2.69	-73.95
C[N@H+]1CC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C(C(F)(F)F)C1	REAL300029099792	1	48	0.0	-76.64	382.27	2.69	-73.95
CCN1CCC1C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029099836	0	45	0.0	-67.82	353.84	2.13	-65.69
CC[N@@H+]1CCC1C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029099836	1	45	0.0	-69.96	360.05	2.39	-67.57
CC[N@H+]1CCC1C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029099836	1	45	0.0	-69.96	360.05	2.39	-67.57
CC(C)[N@@H+]1CCCC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029099854	0	54	0.0	-62.96	397.93	4.18	-58.78
CC(C)[N@H+]1CCCC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029099854	1	54	0.0	-70.08	403.06	3.92	-66.16
CN1C=C[NH+]=C1N1CCC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029099856	1	52	0.0	-63.49	406.70	3.80	-59.69
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029099878	0	53	0.0	-66.51	389.98	1.70	-64.81
C#CC[N@H+]1CCCCC1C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029099935	1	50	0.0	-68.42	383.76	3.78	-64.64
C#CC[N@@H+]1CCCCC1C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029099935	1	50	0.0	-67.94	394.66	4.18	-63.76
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029099938	1	47	0.0	-62.53	373.22	2.90	-59.63
NC1=CC=[NH+]C=C1C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029099940	0	41	0.0	-70.28	332.01	0.23	-70.05
C[NH+](C)C(CC1=CC=CC=C1)C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029099946	0	54	0.0	-77.76	413.85	5.33	-72.43
CCCC(C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029099955	0	50	0.0	-68.27	376.89	3.10	-65.17
CC(CC[NH+](C)C)C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029099990	0	50	0.0	-73.22	384.45	3.05	-70.17
O=C(NC[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1=CC(=O)[N-]O1	REAL300029100052	0	55	0.0	-73.13	395.89	3.99	-69.14
O=C(NC[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1=CC(=O)[N-]O1	REAL300029100052	1	55	0.0	-62.21	400.32	4.66	-57.55
COCCCC[N@H+](C)CCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029100135	0	57	0.0	-77.51	446.16	3.26	-74.25
COCCCC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029100135	1	57	0.0	-77.45	446.12	3.26	-74.19
C[NH+](C)C12CCC(C(=O)N3CCC[C@H]3CNC(=O)C3=CC(=O)[N-]O3)(CC1)CC2	REAL300029100141	0	58	0.0	-79.95	405.41	4.93	-75.02
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029100148	0	51	0.0	-62.13	383.44	3.95	-58.18
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029100148	1	51	0.0	-60.86	382.55	4.10	-56.76
C[NH+](C)CCCCCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029100154	0	53	0.0	-73.93	416.17	4.38	-69.55
O=C(CC[NH+]1CCC(O)CC1)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029100160	0	52	0.0	-76.21	403.47	0.54	-75.67
CCC[N@@H+]1CCCCC1C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029100165	0	54	0.0	-67.14	408.79	4.43	-62.71
CCC[N@H+]1CCCCC1C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029100165	1	54	0.0	-68.26	397.55	3.94	-64.32
CC[NH+]1CCN(CCC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029100174	0	56	0.0	-74.01	426.95	2.11	-71.90
CCN1CC[NH+](CCC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029100174	1	56	0.0	-73.49	426.79	1.97	-71.52
C[NH+]1CCN(CC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029100178	1	50	0.0	-71.86	388.38	0.93	-70.93
CC(C)C[NH+]1CCC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029100319	0	57	0.0	-72.48	422.62	5.84	-66.64
CC1C[N@H+](C)CC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300029100323	1	49	0.0	-71.94	376.70	2.23	-69.71
CC1C[N@@H+](C)CC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300029100323	1	49	0.0	-82.46	376.91	2.39	-80.07
CCC1CCC[N@H+](CC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029100365	0	54	0.0	-70.51	410.34	4.54	-65.97
CCC1CCC[N@@H+](CC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029100365	1	54	0.0	-70.91	410.04	4.58	-66.33
C[NH+](C)CC1=CC=C(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)N1	REAL300029100376	0	49	0.0	-86.70	386.68	3.63	-83.07
O=C(C[NH+]1CC2CC2C1)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029100399	0	46	0.0	-70.29	364.16	3.27	-67.02
O=C(CC1([NH+]2CCCC2)CC1)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029100421	0	52	0.0	-67.99	394.78	4.23	-63.76
CC([NH2+]C1(CO)CCCC1)C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029100441	0	55	0.0	-69.33	406.88	-0.79	-70.12
C[N@@H+]1CCCCC1C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029100476	0	48	0.0	-65.50	356.89	3.58	-61.92
C[N@H+]1CCCCC1C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029100476	1	48	0.0	-60.02	365.09	3.87	-56.15
O=C(NC[C@@H]1CCCN1C(=O)C1CC[N@@H+]1CC1=CC=CC=C1)C1=CC(=O)[N-]O1	REAL300029100483	1	52	0.0	-69.57	411.60	5.08	-64.49
O=C(NC[C@@H]1CCCN1C(=O)C1CC[N@H+]1CC1=CC=CC=C1)C1=CC(=O)[N-]O1	REAL300029100483	1	52	0.0	-74.89	420.50	5.40	-69.49
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029100490	0	57	0.0	-64.27	416.84	5.07	-59.20
CC(C)C[N@H+]1CCCC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029100490	1	57	0.0	-59.47	417.24	6.04	-53.43
C[NH+](C)C1CCN(CC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029100556	0	56	0.0	-71.64	422.70	2.13	-69.51
C[N@@H+]1CCC(=CC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029100632	0	46	0.0	-75.63	365.58	3.04	-72.59
C[N@H+]1CCC(=CC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029100632	1	46	0.0	-75.20	366.80	3.01	-72.19
O=C(CNC1=CC=[NH+]C=C1)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029100640	0	44	0.0	-72.16	365.11	0.71	-71.45
CC[NH+]1CCN(CC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029100708	0	53	0.0	-70.61	406.12	1.61	-69.00
O=C(C=C1C[NH+]2CCC1CC2)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029100711	0	50	0.0	-65.75	385.29	3.83	-61.92
C[N@H+](CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029100774	0	52	0.0	-67.22	400.10	0.67	-66.55
C[N@@H+](CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029100774	1	52	0.0	-68.37	400.39	0.66	-67.71
O=C(NC[C@@H]1CCCN1C(=O)C1C[NH+](C2CCOCC2)C1)C1=CC(=O)[N-]O1	REAL300029100783	0	53	0.0	-76.83	411.94	2.42	-74.41
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029100800	0	45	0.0	-67.87	351.83	2.30	-65.57
C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029100800	1	45	0.0	-70.83	347.47	1.92	-68.91
CCN1CCOCC1CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029100840	0	52	0.0	-70.44	392.71	2.74	-67.70
CC[N@@H+]1CCOCC1CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029100840	1	52	0.0	-66.23	388.29	2.63	-63.60
CC[N@H+]1CCOCC1CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029100840	1	52	0.0	-66.23	388.29	2.63	-63.60
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)NC2=C1CCC[NH2+]2)C1=CC(=O)[N-]O1	REAL300029100847	0	49	0.0	-82.22	391.59	1.66	-80.56
O=C(NC[C@@H]1CCCN1C(=O)C1C[NH+](C2CCCCC2)C1)C1=CC(=O)[N-]O1	REAL300029100870	0	55	0.0	-71.00	420.29	4.77	-66.23
NC1=CC=C(CCC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C=[NH+]1	REAL300029100900	0	47	0.0	-70.92	388.36	1.94	-68.98
O=C(CC1=CC2=C[NH+]=CN2C=C1)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029100907	0	46	0.0	-69.21	383.79	5.64	-63.57
NC1=[NH+]C2=CC(C(=O)N3CCC[C@H]3CNC(=O)C3=CC(=O)[N-]O3)=CC=C2N1	REAL300029100952	1	45	0.0	-70.25	364.21	3.14	-67.11
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029101005	0	48	0.0	-71.18	378.63	3.17	-68.01
CC1CCCC(C)[NH+]1CCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029101020	0	57	0.0	-69.98	419.49	4.62	-65.36
C[NH+](C)C1CCC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029101023	0	54	0.0	-77.25	404.42	4.01	-73.24
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029101027	0	54	0.0	-63.55	393.66	4.76	-58.79
C[N@@H+]1CC=CCC1CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029101028	0	49	0.0	-75.85	381.02	3.54	-72.31
C[N@H+]1CC=CCC1CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029101028	1	49	0.0	-75.85	381.02	3.54	-72.31
CC1=CC(C=CC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=CN=C1N	REAL300029101099	0	48	0.0	-75.91	393.85	2.41	-73.50
CC1=CC(C=CC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=C[NH+]=C1N	REAL300029101099	1	48	0.0	-75.91	393.85	2.41	-73.50
C[NH+](C)CCOCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029101115	0	48	0.0	-70.41	385.22	2.50	-67.91
CCCCC[N@H+](C)CCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029101123	0	56	0.0	-74.71	433.64	5.02	-69.69
CCCCC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029101123	1	56	0.0	-74.71	433.64	5.02	-69.69
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300029101137	0	52	0.0	-72.19	404.93	3.35	-68.84
[NH2+]=C1SC=CN1CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029101164	0	41	0.0	-65.29	356.46	1.62	-63.67
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029101263	0	51	0.0	-59.40	397.43	3.80	-55.60
C[NH+]1CCC(O)(C2(C(=O)N3CCC[C@H]3CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029101267	0	56	0.0	-71.72	412.11	2.68	-69.04
O=C(CC[NH+]1CCCCCC1)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029101343	0	54	0.0	-74.47	403.37	4.07	-70.40
O=C(C[NH+]1CCCCC1)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029101349	0	48	0.0	-69.90	371.13	3.30	-66.60
C[N@@H+]1CCCC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029101351	0	48	0.0	-66.80	366.73	3.76	-63.04
C[N@H+]1CCCC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029101351	1	48	0.0	-72.25	370.14	2.82	-69.43
O=C(C[NH+]1CCC(CO)CC1)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029101353	0	52	0.0	-73.41	402.77	0.60	-72.81
O=C(C[NH+]1CCCCCC1)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029101359	0	51	0.0	-70.85	381.84	3.83	-67.02
CN1C=C[N+](CC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029101366	0	43	0.0	-67.10	360.58	4.95	-62.15
C[NH+](C)CC1=CC=C(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300029101387	1	48	0.0	-80.38	390.43	3.20	-77.18
C[NH+](C)CC1=CC=C(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C=N1	REAL300029101396	0	50	0.0	-75.70	393.76	3.82	-71.88
O=C(C[NH+]1CCC(O)CC1)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029101412	0	49	0.0	-75.45	382.26	-0.06	-75.51
C[N@@H+](CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029101420	1	45	0.0	-68.19	358.52	2.88	-65.31
CC(C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300029101422	1	53	0.0	-71.00	397.60	1.10	-69.90
O=C(CC[N@@H+]1CCC(F)C1)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029101430	1	48	0.0	-76.74	383.46	3.24	-73.50
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029101464	0	54	0.0	-73.10	421.40	6.07	-67.03
CC(CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029101470	0	50	0.0	-73.96	386.48	3.48	-70.48
O=C(NC[C@@H]1CCCN1C(=O)C1CC[N@@H+]2CCOCC12)C1=CC(=O)[N-]O1	REAL300029101495	0	50	0.0	-59.62	377.73	2.54	-57.08
O=C(NC[C@@H]1CCCN1C(=O)C1CC[N@H+]2CCOCC12)C1=CC(=O)[N-]O1	REAL300029101495	1	50	0.0	-68.79	380.66	1.68	-67.11
CC1=[NH+]C=C2C=CC(C(=O)N3CCC[C@H]3CNC(=O)C3=CC(=O)[N-]O3)=CN21	REAL300029101504	0	46	0.0	-66.76	371.36	5.21	-61.55
CN1CCOCC1CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029101529	0	49	0.0	-65.13	372.18	1.18	-63.95
C[N@@H+]1CCOCC1CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029101529	1	49	0.0	-75.31	374.93	2.13	-73.18
C[N@H+]1CCOCC1CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029101529	1	49	0.0	-65.13	372.18	1.18	-63.95
C[NH+](C)CC(C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300029101538	0	54	0.0	-80.19	417.15	6.23	-73.96
CC[NH+]1CCN(CC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029101543	0	53	0.0	-70.61	406.12	1.61	-69.00
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029101609	1	44	0.0	-71.24	353.11	1.48	-69.76
NC1=CC=C(CCC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C=[NH+]1	REAL300029101612	0	47	0.0	-70.92	388.36	1.94	-68.98
CC1(O)CC[N@@H+](CC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029101673	1	49	0.0	-69.12	384.95	-0.13	-69.25
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029101683	0	51	0.0	-55.12	399.50	3.45	-51.67
C[NH+]1CC(CC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029101719	0	45	0.0	-71.81	360.45	2.18	-69.63
O=C(NC[C@@H]1CCCN1C(=O)C1CC[N@@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300029101725	0	52	0.0	-72.02	400.54	4.30	-67.72
O=C(NC[C@@H]1CCCN1C(=O)C1CC[N@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300029101725	1	52	0.0	-67.72	388.91	4.74	-62.98
C[N@H+](CCO)CCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029101780	0	48	0.0	-72.13	379.80	-0.54	-72.67
C[N@@H+](CCO)CCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029101780	1	48	0.0	-72.70	379.34	-0.54	-73.24
C[C@@H](C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029101781	0	44	0.0	-69.37	345.26	1.83	-67.54
C[N@@H+]1CCCCC1CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029101803	0	51	0.0	-69.38	383.27	4.42	-64.96
C[N@H+]1CCCCC1CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029101803	1	51	0.0	-62.25	380.61	3.56	-58.69
CC1=C2C=C(C(=O)N3CCC[C@H]3CNC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029101831	1	46	0.0	-74.94	372.36	6.03	-68.91
CC(C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300029101832	0	48	0.0	-67.54	374.23	2.84	-64.70
CC1CCN1CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029101837	0	45	0.0	-69.23	360.68	2.53	-66.70
CC1CC[N@@H+]1CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029101837	1	45	0.0	-68.94	360.69	2.51	-66.43
CC1CC[N@H+]1CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029101837	1	45	0.0	-69.23	360.68	2.53	-66.70
C[NH+](C)CC=CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029101853	0	45	0.0	-76.77	364.65	2.64	-74.13
CC1(C)C[NH+](CC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029101870	1	48	0.0	-70.78	379.96	3.05	-67.73
O=C(CCCC[NH+]1CCCCC1)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029101885	0	57	0.0	-73.15	436.38	5.47	-67.68
CC1=C(C)[NH+]=C(CCC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)N1	REAL300029101900	1	49	0.0	-66.77	399.61	2.74	-64.03
C[N@@H+]1CCC2=C(C1)SC(C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)=C2	REAL300029101901	1	49	0.0	-82.14	393.65	4.91	-77.23
C[N@H+]1CCC2=C(C1)SC(C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)=C2	REAL300029101901	1	49	0.0	-81.68	393.63	4.92	-76.76
C[NH+]1CCC(C2(C(=O)N3CCC[C@H]3CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029101912	0	55	0.0	-74.72	411.91	5.50	-69.22
CC1=C2C=C(C(=O)N3CCC[C@H]3CNC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029101922	1	46	0.0	-74.94	372.36	6.03	-68.91
C[NH+](C)CCSCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029101936	0	48	0.0	-78.27	396.25	3.40	-74.87
CC(C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[N@H+](C)CC1=CC=CC=C1	REAL300029101956	0	54	0.0	-71.90	418.37	6.27	-65.63
CC(C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[N@@H+](C)CC1=CC=CC=C1	REAL300029101956	1	54	0.0	-67.42	417.90	6.26	-61.16
NC1=[NH+]C2=C(C=C1C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)CCCC2	REAL300029101960	1	51	0.0	-60.24	394.45	3.63	-56.61
O=C(C[N@H+]1CCCC1CO)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029101968	0	49	0.0	-69.96	383.73	-0.01	-69.97
O=C(C[N@@H+]1CCCC1CO)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029101968	1	49	0.0	-70.15	382.06	0.02	-70.13
CC[NH+](CC)CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029101971	0	47	0.0	-69.05	360.22	2.54	-66.51
C[N@H+](CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029101988	0	49	0.0	-74.50	388.87	3.66	-70.84
C[N@@H+](CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029101988	1	49	0.0	-75.04	390.11	3.65	-71.39
O=C(C[NH+]1CCC1)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029101990	1	42	0.0	-70.75	339.69	1.91	-68.84
CC[NH+](CC)CCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029102040	0	50	0.0	-72.46	386.81	3.39	-69.07
NC(=O)C1CC[NH+](CC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029102062	0	52	0.0	-85.13	407.08	-0.03	-85.16
C[NH+](C)CC1=CNC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029102114	0	49	0.0	-73.52	386.24	3.79	-69.73
CC(C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300029102135	0	52	0.0	-70.10	394.50	1.16	-68.94
O=C(NC[C@@H]1CCCN1C(=O)C1CC2COCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300029102142	0	50	0.0	-73.39	386.47	1.66	-71.73
O=C(NC[C@@H]1CCCN1C(=O)C1CC2COCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300029102142	1	50	0.0	-70.04	385.03	1.70	-68.34
CC(C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300029102160	0	45	0.0	-68.62	352.65	2.23	-66.39
CCC(CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029102173	0	53	0.0	-79.59	403.60	4.11	-75.48
NC1=CC=C(C=CC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C=[NH+]1	REAL300029102180	0	45	0.0	-77.37	375.03	1.67	-75.70
C[NH+](C)C(CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300029102219	0	54	0.0	-74.82	413.85	6.34	-68.48
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029102255	0	48	0.0	-65.52	356.92	3.58	-61.94
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029102255	1	48	0.0	-59.93	364.93	3.86	-56.07
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029102270	0	51	0.0	-77.84	378.29	0.07	-77.77
CC1CN2CC[N@H+]1CC2C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029102270	1	51	0.0	-75.61	378.64	0.09	-75.52
C[NH+](C)CC(O)CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029102300	0	48	0.0	-77.61	381.50	0.49	-77.12
C[NH+]1C2CCC1CC(C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029102303	0	52	0.0	-67.66	345.38	4.12	-63.54
C#CC1(O)CC[NH+](C(C)C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029102343	0	54	0.0	-69.95	397.57	1.79	-68.16
C=CCC(C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029102355	0	48	0.0	-69.24	373.19	3.02	-66.22
O=C(NC[C@@H]1CCCN1C(=O)C1CC2CCCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300029102368	0	52	0.0	-70.53	393.26	3.99	-66.54
O=C(NC[C@@H]1CCCN1C(=O)C1CC2CCCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300029102368	1	52	0.0	-73.79	395.33	4.04	-69.75
C[NH+]1CCC(O)(CC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029102387	0	52	0.0	-73.15	399.08	1.73	-71.42
COCC[N@@H+]1CCCC1CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029102405	0	55	0.0	-54.32	403.67	3.89	-50.43
COCC[N@H+]1CCCC1CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029102405	1	55	0.0	-69.20	415.99	3.41	-65.79
C[NH+]1C2CCC1CC(CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029102415	0	55	0.0	-68.92	408.30	4.39	-64.53
C[NH+](C)CCN1N=CC=C1C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029102457	0	51	0.0	-65.06	400.15	3.92	-61.14
C[N@@H+]1CCC2=C(C1)SC(C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)=C2	REAL300029102499	1	49	0.0	-86.53	399.80	4.39	-82.14
C[N@H+]1CCC2=C(C1)SC(C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)=C2	REAL300029102499	1	49	0.0	-85.58	399.97	4.43	-81.15
C[NH+]1CCC(C2(C(=O)NC[C@@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029102511	0	55	0.0	-70.08	413.71	5.06	-65.02
CC1=C2C=C(C(=O)NC[C@@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029102524	1	46	0.0	-80.61	378.20	5.45	-75.16
C[NH+](C)CCSCC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029102539	0	48	0.0	-82.56	392.61	3.24	-79.32
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC2COCC[N@@H+]2C1	REAL300029102551	0	50	0.0	-74.94	384.26	1.70	-73.24
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC2COCC[N@H+]2C1	REAL300029102551	1	50	0.0	-73.84	385.16	1.70	-72.14
COCC1(NC(=O)C2CCC[N@@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029102716	0	52	0.0	-65.79	390.76	2.44	-63.35
COCC1(NC(=O)C2CCC[N@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029102716	1	52	0.0	-64.73	390.09	2.35	-62.38
COCC1(NC(=O)C2CCC[N@@H+]2C(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029102885	0	58	0.0	-65.55	403.48	3.40	-62.15
COCC1(NC(=O)C2CCC[N@H+]2C(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029102885	1	58	0.0	-71.68	398.25	4.90	-66.78
COCC1(NC(=O)CN2C=C[NH+]=C2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029102908	1	50	0.0	-65.10	393.86	2.99	-62.11
COCC1(NC(=O)C2C[NH+]3CCC2CC3)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029102928	0	56	0.0	-71.85	405.64	3.14	-68.71
COCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029102954	0	55	0.0	-69.15	397.27	2.23	-66.92
COCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029102954	1	55	0.0	-70.38	401.69	3.25	-67.13
CC[C@@H]1[C@@H](C(=O)NC2(COC)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300029102956	0	58	0.0	-69.37	421.12	3.02	-66.35
CC[C@@H]1[C@@H](C(=O)NC2(COC)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300029102956	1	58	0.0	-66.84	424.67	3.58	-63.26
CC[N@@H+]1CCOC(C(=O)NC2(COC)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029102960	1	56	0.0	-74.57	419.12	2.25	-72.32
CC[N@H+]1CCOC(C(=O)NC2(COC)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029102960	1	56	0.0	-73.94	419.85	2.32	-71.62
COCC1(NC(=O)C[NH+]2C(C)CCC2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029102999	0	58	0.0	-65.01	421.38	3.19	-61.82
COCC1(NC(=O)CCC[NH+]2CCCC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103002	0	58	0.0	-68.61	433.45	3.80	-64.81
COCC1(NC(=O)CC[NH+]2CCCCC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103004	0	58	0.0	-68.96	428.36	3.77	-65.19
COCC1(NC(=O)C[N@H+](C)C2CCC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103037	0	55	0.0	-67.17	410.56	3.37	-63.80
COCC1(NC(=O)C[N@@H+](C)C2CCC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103037	1	55	0.0	-66.80	410.66	3.36	-63.44
COCC1(NC(=O)CCC2CCC[N@@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103092	0	58	0.0	-69.77	428.11	3.66	-66.11
COCC1(NC(=O)CCC2CCC[N@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103092	1	58	0.0	-69.50	431.74	3.83	-65.67
COCC1(NC(=O)C2CC[NH+](C)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103105	0	55	0.0	-71.30	409.25	3.01	-68.29
COCC1(NC(=O)C2=CN3C=[NH+]C=C3C=C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103169	0	50	0.0	-68.87	394.52	4.85	-64.02
COCC1(NC(=O)CC[NH+]2CCOCC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103175	1	56	0.0	-72.33	419.62	1.33	-71.00
COCC1(NC(=O)CN2C=[NH+]C=C2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103186	1	50	0.0	-68.07	394.09	3.65	-64.42
COCC1(NC(=O)CC2CC[N@H+](C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103205	0	55	0.0	-69.68	410.53	2.95	-66.73
COCC1(NC(=O)CC2CC[N@@H+](C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103205	1	55	0.0	-69.33	410.62	2.89	-66.44
CCC(C(=O)NC1(COC)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029103212	0	54	0.0	-66.12	392.53	2.42	-63.70
COCC1(NC(=O)C2=CC3=C[NH+]=CN3C=C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103229	1	50	0.0	-71.39	394.78	4.86	-66.53
COCC1(NC(=O)CCCC[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103252	0	57	0.0	-70.05	429.72	3.46	-66.59
CCC[N@H+](C)CCC(=O)NC1(COC)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103263	0	57	0.0	-70.71	425.95	3.25	-67.46
CCC[N@@H+](C)CCC(=O)NC1(COC)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103263	1	57	0.0	-70.66	425.95	3.24	-67.42
CCC[N@H+](C)CC(=O)NC1(COC)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103265	0	54	0.0	-68.98	403.58	2.75	-66.23
CCC[N@@H+](C)CC(=O)NC1(COC)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103265	1	54	0.0	-68.86	403.58	2.74	-66.12
COCC1(NC(=O)C23CC[N@H+](C2)CCC3)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103275	0	56	0.0	-69.07	405.66	2.55	-66.52
COCC1(NC(=O)C23CC[N@@H+](C2)CCC3)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103275	1	56	0.0	-68.83	406.35	2.55	-66.28
COCC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103296	0	52	0.0	-65.04	389.95	2.29	-62.75
COCC1(NC(=O)[C@H]2CCC[N@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103296	1	52	0.0	-68.18	384.08	1.81	-66.37
CC[NH+](CC)CC(=O)NC1(COC)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103321	0	54	0.0	-67.04	395.84	2.49	-64.55
COCC1(NC(=O)C[NH+]2CCC(C)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103367	0	58	0.0	-69.45	426.94	3.78	-65.67
COCC1(NC(=O)C2(C[NH+](C)C)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103382	0	55	0.0	-62.83	407.46	4.48	-58.35
COCC1(NC(=O)C2CC[NH+](C)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103420	0	55	0.0	-71.30	409.25	3.01	-68.29
CCC(C(=O)NC1(COC)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](CC)CC	REAL300029103446	0	60	0.0	-63.28	429.96	3.64	-59.64
CC[N@H+](C)CCC(=O)NC1(COC)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103475	0	54	0.0	-70.05	404.45	2.51	-67.54
CC[N@@H+](C)CCC(=O)NC1(COC)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103475	1	54	0.0	-70.21	404.42	2.50	-67.71
COCC1(NC(=O)C[N@@H+]2CCCC2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103496	0	55	0.0	-65.88	409.70	3.13	-62.75
COCC1(NC(=O)C[N@H+]2CCCC2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103496	1	55	0.0	-65.83	410.09	2.94	-62.89
COCC1(NC(=O)C[N@@H+]2CCC(C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103497	0	55	0.0	-67.83	410.69	2.99	-64.84
COCC1(NC(=O)C[N@H+]2CCC(C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103497	1	55	0.0	-68.46	409.59	2.97	-65.49
COCC1(NC(=O)C[N@@H+]2CCC(C)(C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103499	0	58	0.0	-67.94	429.37	3.63	-64.31
COCC1(NC(=O)C[N@H+]2CCC(C)(C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103499	1	58	0.0	-67.44	429.50	3.66	-63.78
COCC1(NC(=O)C[N@H+](C)CC(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103500	0	60	0.0	-68.07	434.61	3.95	-64.12
COCC1(NC(=O)C[N@@H+](C)CC(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103500	1	60	0.0	-68.78	432.04	3.83	-64.95
CC[C@@H](C(=O)NC1(COC)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029103506	0	54	0.0	-67.33	396.98	2.46	-64.87
COCC1(NC(=O)C[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103578	0	48	0.0	-69.84	364.36	1.29	-68.55
COCC1(NC(=O)C[NH+]2CCCCCC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103581	0	58	0.0	-69.31	417.21	3.71	-65.60
COCC1(NC(=O)C[N+]2=CN(C)C=C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103584	0	50	0.0	-66.67	395.55	4.81	-61.86
COCC1(NC(=O)C2CCC[N@H+](C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103587	0	55	0.0	-69.22	408.66	2.90	-66.32
COCC1(NC(=O)C2CCC[N@@H+](C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103587	1	55	0.0	-68.80	408.74	2.96	-65.84
COCC1(NC(=O)C2CCC[N@@H+]2C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103591	0	56	0.0	-63.35	421.56	3.84	-59.51
COCC1(NC(=O)C2CCC[N@H+]2C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103591	1	56	0.0	-69.82	401.14	4.28	-65.54
COCC1(NC(=O)C(C)[NH+]2CCC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103601	1	52	0.0	-66.35	392.33	2.38	-63.97
CCC(CC(=O)NC1(COC)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300029103605	0	60	0.0	-70.34	436.02	3.90	-66.44
COCC1(NC(=O)C[NH+]2CCC(O)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103619	1	56	0.0	-73.38	417.18	-0.19	-73.57
COCC1(NC(=O)C[N@H+](C)C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103620	0	52	0.0	-66.50	393.76	2.75	-63.75
COCC1(NC(=O)C[N@@H+](C)C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103620	1	52	0.0	-66.44	393.62	2.70	-63.74
COCC1(NC(=O)CC2C[NH+](C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103632	0	52	0.0	-69.77	395.46	2.07	-67.70
COCC1(NC(=O)C2CC[N@@H+]2C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103641	0	58	0.0	-65.14	426.67	3.06	-62.08
COCC1(NC(=O)C2CC[N@H+]2C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103641	1	58	0.0	-66.20	408.70	2.38	-63.82
COCC1(NC(=O)[C@H](C)[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103652	0	51	0.0	-67.06	382.15	1.81	-65.25
COCC1(NC(=O)CN2C=CSC2=[NH2+])CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103696	0	48	0.0	-64.54	391.42	1.52	-63.02
COCC1(NC(=O)CC[N@H+](C)CCO)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103701	0	55	0.0	-69.82	414.80	-0.72	-70.54
COCC1(NC(=O)CC[N@@H+](C)CCO)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103701	1	55	0.0	-69.24	415.11	-0.61	-69.85
COCC1(NC(=O)[C@H](C)[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103702	0	51	0.0	-67.06	382.15	1.81	-65.25
COCC1(NC(=O)[C@H]2CCCC[N@@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103705	0	55	0.0	-65.98	406.61	2.90	-63.08
COCC1(NC(=O)[C@H]2CCCC[N@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103705	1	55	0.0	-67.26	392.17	2.58	-64.68
COCC1(NC(=O)C=C2CC[N@H+](C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103759	0	53	0.0	-71.70	402.25	2.92	-68.78
COCC1(NC(=O)C=C2CC[N@@H+](C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103759	1	53	0.0	-71.43	403.20	2.89	-68.54
COCC1(NC(=O)COCC[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103776	0	55	0.0	-68.22	420.23	2.21	-66.01
C=CCC(C)(C(=O)NC1(COC)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029103787	0	58	0.0	-64.43	415.84	4.41	-60.02
COCC1(NC(=O)CN2CC(C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103817	0	52	0.0	-68.83	394.43	2.50	-66.33
COCC1(NC(=O)C[NH+]2CC(C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103817	1	52	0.0	-68.83	394.43	2.50	-66.33
COCC1(NC(=O)CN(C)CCO)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103834	0	52	0.0	-69.10	392.44	-1.23	-70.33
COCC1(NC(=O)C[N@H+](C)CCO)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103834	1	52	0.0	-68.50	392.78	-1.10	-69.60
COCC1(NC(=O)C[N@@H+](C)CCO)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103834	1	52	0.0	-68.50	392.78	-1.10	-69.60
CC[N@@H+]1CCCC(C(=O)NC2(COC)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029103850	0	58	0.0	-63.70	419.25	3.89	-59.81
CC[N@H+]1CCCC(C(=O)NC2(COC)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029103850	1	58	0.0	-67.24	426.86	3.63	-63.61
COCC1(NC(=O)CC(C)C[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103852	0	57	0.0	-70.18	421.54	3.29	-66.89
CC[N@H+](C)CC(=O)NC1(COC)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103855	0	51	0.0	-68.61	382.08	2.01	-66.60
CC[N@@H+](C)CC(=O)NC1(COC)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103855	1	51	0.0	-68.44	382.08	2.01	-66.43
CC[N@H+](CC(=O)NC1(COC)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029103879	0	55	0.0	-65.40	413.59	3.48	-61.92
CC[N@@H+](CC(=O)NC1(COC)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029103879	1	55	0.0	-66.45	410.22	3.35	-63.10
CC[NH+](CC)CCC(=O)NC1(COC)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103887	0	57	0.0	-68.88	418.26	3.04	-65.84
COCC1(NC(=O)C=C2CC[NH+](C)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103895	0	56	0.0	-70.61	418.08	3.64	-66.97
COCC1(NC(=O)C[N@@H+]2CCC(C)(O)C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103918	0	56	0.0	-69.43	420.76	-0.28	-69.71
COCC1(NC(=O)C[N@H+]2CCC(C)(O)C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103918	1	56	0.0	-68.95	420.76	-0.26	-69.21
COCC1(NC(=O)C=CC[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103920	0	52	0.0	-71.60	401.56	2.60	-69.00
COCC1(NC(=O)C(C)OCC[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103926	0	58	0.0	-68.42	439.46	3.00	-65.42
COCC1(NC(=O)CCOCC[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103932	0	58	0.0	-67.80	441.18	2.11	-65.69
COCC[N@H+](C)CC(=O)NC1(COC)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103933	1	55	0.0	-69.06	414.52	1.14	-67.92
COCC[N@@H+](C)CC(=O)NC1(COC)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103933	1	55	0.0	-69.21	414.68	1.17	-68.04
COCC1(NC(=O)CCC(C)[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103949	0	57	0.0	-70.09	417.83	3.11	-66.98
CC[N@@H+]1CCC1C(=O)NC1(COC)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103955	1	52	0.0	-66.65	388.36	1.92	-64.73
CC[N@H+]1CCC1C(=O)NC1(COC)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103955	1	52	0.0	-67.81	395.92	2.32	-65.49
COCC1(NC(=O)C[N@@H+]2CCCC2CO)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103965	0	56	0.0	-68.04	414.33	-0.48	-68.52
COCC1(NC(=O)C[N@H+]2CCCC2CO)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103965	1	56	0.0	-65.94	410.06	-0.14	-66.08
C=CCC(C(=O)NC1(COC)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029103995	0	55	0.0	-65.66	407.71	2.81	-62.85
COCC1(NC(=O)C2CC(C)(C)C[N@@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103999	0	58	0.0	-64.41	430.13	3.62	-60.79
COCC1(NC(=O)C2CC(C)(C)C[N@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103999	1	58	0.0	-65.48	430.36	3.43	-62.05
COCC1(NC(=O)CCCCC[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104001	0	60	0.0	-69.65	451.21	4.23	-65.42
COCC1(NC(=O)C[NH+]2CC3CC3C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104006	0	53	0.0	-68.55	399.69	3.22	-65.33
CCCC(C(=O)NC1(COC)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029104018	0	57	0.0	-67.95	419.26	3.23	-64.72
COCC1(NC(=O)C2CCCC[N@@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104040	0	55	0.0	-66.94	396.83	2.73	-64.21
COCC1(NC(=O)C2CCCC[N@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104040	1	55	0.0	-65.92	395.41	2.83	-63.09
COCC1(NC(=O)CC2=CC[N@H+](C)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104059	0	56	0.0	-67.13	423.58	3.71	-63.42
COCC1(NC(=O)CC2=CC[N@@H+](C)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104059	1	56	0.0	-67.27	423.50	3.65	-63.62
COCC1(NC(=O)C=CC[NH+]2CCCC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104086	0	56	0.0	-70.14	426.62	3.76	-66.38
COCC1(NC(=O)CC[NH+]2CCCC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104109	0	55	0.0	-69.41	411.09	2.95	-66.46
COCC1(NC(=O)C2C[NH+]3CCN2CC3)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104128	0	55	0.0	-70.86	398.64	-0.43	-71.29
COCC1(NC(=O)C[N@@H+]2CC3CCC2C3)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104135	0	56	0.0	-66.08	411.20	3.51	-62.57
COCC1(NC(=O)C[N@H+]2CC3CCC2C3)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104135	1	56	0.0	-66.55	408.31	3.22	-63.33
COCC1(NC(=O)C(C)C[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104192	0	54	0.0	-69.29	403.00	2.61	-66.68
COCC1(NC(=O)CC2CCCC[N@@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104228	0	58	0.0	-63.57	416.10	3.38	-60.19
COCC1(NC(=O)CC2CCCC[N@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104228	1	58	0.0	-70.35	423.19	3.54	-66.81
COCC1(NC(=O)C(C)[NH+]2CC(C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104236	1	55	0.0	-66.11	412.26	3.13	-62.98
COCC1(NC(=O)C[N@@H+]2CCC2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104238	1	52	0.0	-66.31	390.75	2.22	-64.09
COCC1(NC(=O)C[N@H+]2CCC2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104238	1	52	0.0	-67.15	395.68	2.37	-64.78
COCC1(NC(=O)CC(O)C[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104239	0	55	0.0	-72.40	417.30	0.36	-72.04
COCC1(NC(=O)C2C[N@H+](C)CC(C)O2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104253	1	56	0.0	-69.76	414.63	2.23	-67.53
COCC1(NC(=O)C2C[N@@H+](C)CC(C)O2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104253	1	56	0.0	-76.57	415.99	1.95	-74.62
COCC1(NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104289	0	55	0.0	-68.30	414.09	3.05	-65.25
COCC1(NC(=O)C(C)CC[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104293	0	57	0.0	-69.57	424.64	3.23	-66.34
COCC1(NC(=O)CN2CC[NH+](C)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104306	1	57	0.0	-68.43	423.21	0.78	-67.65
COCC1(NC(=O)CSC(N)=[NH2+])CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104326	0	46	0.0	-69.64	372.27	-1.76	-71.40
COCC1(NC(=O)CC2CC=CC[N@@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104345	0	56	0.0	-64.03	410.54	3.32	-60.71
COCC1(NC(=O)CC2CC=CC[N@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104345	1	56	0.0	-71.11	415.03	3.39	-67.72
COCC1(NC(=O)[C@@H](C)OCC[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104355	0	58	0.0	-67.23	439.67	2.94	-64.29
COCC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104416	0	52	0.0	-64.77	390.04	2.32	-62.45
COCC1(NC(=O)CC[N@@H+]2CCC(F)C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104422	0	55	0.0	-74.47	418.48	3.11	-71.36
COCC1(NC(=O)C2CC[N@H+](C)C2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104440	0	55	0.0	-66.33	405.46	2.51	-63.82
COCC1(NC(=O)C2CC[N@@H+](C)C2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104440	1	55	0.0	-66.33	405.46	2.51	-63.82
COCC1(NC(=O)CC2COCCN2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104467	0	56	0.0	-66.71	407.49	1.01	-65.70
COCC1(NC(=O)CC2COCC[N@@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104467	1	56	0.0	-74.00	415.05	1.15	-72.85
COCC1(NC(=O)CC2COCC[N@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104467	1	56	0.0	-74.00	415.05	1.15	-72.85
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC[N@@H+]2C)CC1	REAL300029104632	0	52	0.0	-71.03	386.07	2.05	-68.98
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC[N@H+]2C)CC1	REAL300029104632	1	52	0.0	-71.03	386.07	2.05	-68.98
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CN(C)CCO2)CC1	REAL300029104658	0	53	0.0	-79.51	393.49	1.67	-77.84
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2C[N@H+](C)CCO2)CC1	REAL300029104658	1	53	0.0	-71.85	393.47	1.62	-70.23
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2C[N@@H+](C)CCO2)CC1	REAL300029104658	1	53	0.0	-71.85	393.47	1.62	-70.23
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCN2CCOCC2)CC1	REAL300029104807	0	56	0.0	-79.22	422.80	1.60	-77.62
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC[NH+]2CCOCC2)CC1	REAL300029104807	1	56	0.0	-79.22	422.80	1.60	-77.62
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C23CCC[NH+]2CCC3)CC1	REAL300029104816	0	56	0.0	-67.73	405.35	2.89	-64.84
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC3=CN=CN3C=C2)CC1	REAL300029104819	0	50	0.0	-79.23	395.21	4.70	-74.53
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC1	REAL300029104819	1	50	0.0	-79.23	395.21	4.70	-74.53
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2CC[N@H+](C)C2)CC1	REAL300029104842	0	55	0.0	-78.27	413.97	3.21	-75.06
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2CC[N@@H+](C)C2)CC1	REAL300029104842	1	55	0.0	-78.27	413.97	3.21	-75.06
CCC(C(=O)N1CCC(COC)(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029104849	0	54	0.0	-70.26	396.37	2.60	-67.66
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCCC[NH+](C)C)CC1	REAL300029104882	0	57	0.0	-76.77	432.92	3.73	-73.04
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(C(C)C)[NH+](C)C)CC1	REAL300029104896	0	57	0.0	-72.94	409.29	3.21	-69.73
CCC[N@H+](C)CCC(=O)N1CCC(COC)(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104897	0	57	0.0	-76.98	429.15	3.56	-73.42
CCC[N@@H+](C)CCC(=O)N1CCC(COC)(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104897	1	57	0.0	-77.03	429.13	3.56	-73.47
CCC[N@H+](C)CC(=O)N1CCC(COC)(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104900	0	54	0.0	-74.25	406.78	2.96	-71.29
CCC[N@@H+](C)CC(=O)N1CCC(COC)(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104900	1	54	0.0	-74.18	406.77	2.95	-71.23
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C23CC[N@H+](C2)CCC3)CC1	REAL300029104913	0	56	0.0	-75.31	400.83	2.42	-72.89
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1	REAL300029104913	1	56	0.0	-71.40	398.25	2.31	-69.09
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+]2CCC(C)CC2)CC1	REAL300029104941	0	58	0.0	-74.55	430.12	4.03	-70.52
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1	REAL300029104979	0	55	0.0	-68.47	415.07	3.07	-65.40
CC[N@H+](C)CCC(=O)N1CCC(COC)(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104997	0	54	0.0	-76.22	407.66	2.82	-73.40
CC[N@@H+](C)CCC(=O)N1CCC(COC)(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104997	1	54	0.0	-76.26	407.63	2.81	-73.45
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2C[NH+]3CCC2CC3)CC1	REAL300029105009	0	56	0.0	-83.18	403.72	3.04	-80.14
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC[NH+](C)CC2)CC1	REAL300029105050	0	55	0.0	-77.51	408.44	2.95	-74.56
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1	REAL300029105065	0	57	0.0	-73.72	409.86	3.10	-70.62
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2([NH+](C)C)CCC2)CC1	REAL300029105129	0	55	0.0	-75.89	392.53	2.41	-73.48
CCC(C(=O)N1CCC(COC)(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](CC)CC	REAL300029105157	0	60	0.0	-66.69	429.60	3.76	-62.93
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+]2CCCC2C)CC1	REAL300029105166	0	55	0.0	-71.14	412.55	3.21	-67.93
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+]2CCCC2C)CC1	REAL300029105166	1	55	0.0	-70.45	406.24	2.93	-67.52
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC[N@@H+]2C(C)C)CC1	REAL300029105202	0	58	0.0	-68.36	425.73	3.48	-64.88
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC[N@H+]2C(C)C)CC1	REAL300029105202	1	58	0.0	-67.72	418.05	3.91	-63.81
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1	REAL300029105209	0	57	0.0	-72.90	409.24	3.20	-69.70
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+]2CCC(C)C2)CC1	REAL300029105222	0	55	0.0	-73.44	412.74	3.29	-70.15
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+]2CCC(C)C2)CC1	REAL300029105222	1	55	0.0	-73.30	412.89	3.23	-70.07
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1	REAL300029105225	0	58	0.0	-73.68	433.12	3.80	-69.88
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1	REAL300029105225	1	58	0.0	-73.21	432.40	3.79	-69.42
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1	REAL300029105226	0	60	0.0	-73.46	437.93	4.12	-69.34
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1	REAL300029105226	1	60	0.0	-73.96	435.14	3.94	-70.02
CC[C@@H](C(=O)N1CCC(COC)(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029105233	0	54	0.0	-68.67	391.66	2.34	-66.33
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CN2C=C[NH+]=C2C)CC1	REAL300029105322	1	50	0.0	-70.88	396.93	3.16	-67.72
CC[N@@H+]1CCOC(C(=O)N2CCC(COC)(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029105370	1	56	0.0	-80.70	418.15	2.44	-78.26
CC[N@H+]1CCOC(C(=O)N2CCC(COC)(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029105370	1	56	0.0	-77.92	411.06	2.27	-75.65
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC1	REAL300029105393	0	50	0.0	-78.94	401.93	4.88	-74.06
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CN2C=[NH+]C=C2C)CC1	REAL300029105396	1	50	0.0	-72.28	397.29	3.89	-68.39
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	REAL300029105401	0	55	0.0	-77.94	401.12	2.82	-75.12
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1	REAL300029105401	1	55	0.0	-76.70	405.11	3.11	-73.59
CC[C@@H]1[C@@H](C(=O)N2CCC(COC)(NC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300029105403	0	58	0.0	-66.96	419.38	3.06	-63.90
CC[C@@H]1[C@@H](C(=O)N2CCC(COC)(NC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300029105403	1	58	0.0	-75.08	423.13	3.51	-71.57
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+]2C(C)CCC2C)CC1	REAL300029105409	0	58	0.0	-70.39	424.61	3.56	-66.83
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCC[NH+]2CCCC2)CC1	REAL300029105412	0	58	0.0	-75.06	435.79	4.02	-71.04
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC[NH+]2CCCCC2)CC1	REAL300029105416	0	58	0.0	-75.60	431.56	4.02	-71.58
CC[N@@H+]1CCCCC1C(=O)N1CCC(COC)(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029105419	0	58	0.0	-69.94	414.14	3.28	-66.66
CC[N@H+]1CCCCC1C(=O)N1CCC(COC)(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029105419	1	58	0.0	-70.85	414.64	3.22	-67.63
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+](C)C2CCC2)CC1	REAL300029105503	0	55	0.0	-71.86	413.77	3.53	-68.33
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+](C)C2CCC2)CC1	REAL300029105503	1	55	0.0	-71.93	413.69	3.53	-68.40
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC[NH+](C)CC2)CC1	REAL300029105528	0	55	0.0	-77.51	408.44	2.95	-74.56
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	REAL300029105553	0	52	0.0	-70.06	387.30	2.29	-67.77
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	REAL300029105553	1	52	0.0	-74.05	386.26	2.07	-71.98
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(COC)(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029105570	1	54	0.0	-68.47	412.73	3.32	-65.15
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(COC)(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029105570	1	54	0.0	-71.52	415.99	3.65	-67.87
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCC2CCC[N@@H+]2C)CC1	REAL300029105575	0	58	0.0	-78.66	431.11	3.92	-74.74
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCC2CCC[N@H+]2C)CC1	REAL300029105575	1	58	0.0	-79.01	431.10	3.94	-75.07
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCCC[N@@H+]2C)CC1	REAL300029105640	0	55	0.0	-72.41	396.91	2.58	-69.83
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCCC[N@H+]2C)CC1	REAL300029105640	1	55	0.0	-61.30	407.35	3.10	-58.20
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC[N@H+](C)C2C)CC1	REAL300029105692	0	55	0.0	-71.97	409.99	2.88	-69.09
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC[N@@H+](C)C2C)CC1	REAL300029105692	1	55	0.0	-75.07	409.74	2.85	-72.22
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC[N@@H+]2C(C)(C)C)CC1	REAL300029105744	0	58	0.0	-68.62	411.17	2.40	-66.22
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC[N@H+]2C(C)(C)C)CC1	REAL300029105744	1	58	0.0	-71.96	405.85	2.65	-69.31
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@H](C)[NH+](C)C)CC1	REAL300029105758	0	51	0.0	-71.82	383.03	1.92	-69.90
C=CCC(C)(C(=O)N1CCC(COC)(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029105771	0	58	0.0	-65.76	412.80	3.02	-62.74
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC[NH+]2CCCC2)CC1	REAL300029105785	0	55	0.0	-75.77	415.87	3.32	-72.45
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+](C)CCO)CC1	REAL300029105794	1	52	0.0	-74.41	395.62	-1.02	-75.43
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+](C)CCO)CC1	REAL300029105794	1	52	0.0	-74.71	395.48	-0.99	-75.70
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2=CC[N@H+](C)CC2)CC1	REAL300029105843	0	56	0.0	-68.43	426.68	3.92	-64.51
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2=CC[N@@H+](C)CC2)CC1	REAL300029105843	1	56	0.0	-70.95	426.64	3.91	-67.04
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2(C)CC(O)C[N@@H+]2C)CC1	REAL300029105861	0	56	0.0	-67.37	406.20	-1.51	-68.88
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2(C)CC(O)C[N@H+]2C)CC1	REAL300029105861	1	56	0.0	-62.18	408.52	-0.64	-62.82
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+]2CC(C)C2)CC1	REAL300029105887	1	52	0.0	-74.49	398.83	2.64	-71.85
CC[N@@H+]1CCCC(C(=O)N2CCC(COC)(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029105893	0	58	0.0	-73.65	421.22	3.88	-69.77
CC[N@H+]1CCCC(C(=O)N2CCC(COC)(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029105893	1	58	0.0	-66.81	420.12	3.86	-62.95
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2=CC=C[NH+]=C2N)CC1	REAL300029105897	0	51	0.0	-69.04	401.77	1.40	-67.64
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1	REAL300029105904	0	56	0.0	-67.64	422.45	3.85	-63.79
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC[N@H+]2C2CC2)CC1	REAL300029105904	1	56	0.0	-69.41	415.63	3.51	-65.90
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C=CC[NH+]2CCCC2)CC1	REAL300029105925	0	56	0.0	-78.92	428.69	3.97	-74.95
CC[N@H+](C)CC(=O)N1CCC(COC)(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029105966	0	51	0.0	-73.87	385.26	2.21	-71.66
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CN2CC3C=CC2C3)CC1	REAL300029105997	0	54	0.0	-70.55	406.40	3.42	-67.13
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+]2CC3C=CC2C3)CC1	REAL300029105997	1	54	0.0	-72.27	406.93	3.53	-68.74
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+]2CC3C=CC2C3)CC1	REAL300029105997	1	54	0.0	-72.27	406.93	3.53	-68.74
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(C)OCC[NH+](C)C)CC1	REAL300029106071	0	58	0.0	-74.10	438.61	3.13	-70.97
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCOCC[NH+](C)C)CC1	REAL300029106078	0	58	0.0	-73.48	444.32	2.40	-71.08
COCCN(C)CC(=O)N1CCC(COC)(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029106080	0	55	0.0	-74.67	417.74	1.42	-73.25
COCC[N@H+](C)CC(=O)N1CCC(COC)(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029106080	1	55	0.0	-74.67	417.87	1.38	-73.29
COCC[N@@H+](C)CC(=O)N1CCC(COC)(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029106080	1	55	0.0	-74.67	417.87	1.38	-73.29
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCC(C)[NH+](C)C)CC1	REAL300029106083	0	57	0.0	-74.12	424.54	3.33	-70.79
CC[N@H+](CC(=O)N1CCC(COC)(NC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029106097	0	55	0.0	-70.70	413.82	3.55	-67.15
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C23CC(C2)C[N@@H+]3C)CC1	REAL300029106122	0	53	0.0	-71.89	394.72	2.61	-69.28
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+]2CC3CCC2C3)CC1	REAL300029106129	0	56	0.0	-71.73	414.25	3.64	-68.09
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+]2CC3CCC2C3)CC1	REAL300029106129	1	56	0.0	-71.73	414.25	3.64	-68.09
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(C)C[NH+](C)C)CC1	REAL300029106143	0	54	0.0	-76.20	403.12	2.61	-73.59
CC[N@@H+]1CCC1C(=O)N1CCC(COC)(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029106173	0	52	0.0	-70.34	390.32	2.13	-68.21
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(COC)(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029106181	0	60	0.0	-71.58	432.27	2.15	-69.43
CCCC(C(=O)N1CCC(COC)(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029106212	0	57	0.0	-71.17	418.66	3.35	-67.82
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(C)(C)[NH+](C)C)CC1	REAL300029106216	0	54	0.0	-74.70	388.27	1.99	-72.71
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(C)CC[NH+](C)C)CC1	REAL300029106229	0	57	0.0	-83.04	426.21	3.27	-79.77
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC(C)(C)C[N@@H+]2C)CC1	REAL300029106279	0	58	0.0	-69.29	425.75	3.18	-66.11
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC(C)(C)C[N@H+]2C)CC1	REAL300029106279	1	58	0.0	-69.29	425.75	3.18	-66.11
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCCCC[NH+](C)C)CC1	REAL300029106281	0	60	0.0	-75.76	454.42	4.52	-71.24
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CN2CCN(C)CC2)CC1	REAL300029106288	0	57	0.0	-73.43	426.56	1.03	-72.40
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CN2CC[NH+](C)CC2)CC1	REAL300029106288	1	57	0.0	-73.43	426.56	1.03	-72.40
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CN(C)CC(C)O2)CC1	REAL300029106334	0	56	0.0	-84.14	414.40	2.10	-82.04
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2C[N@H+](C)CC(C)O2)CC1	REAL300029106334	1	56	0.0	-69.82	415.50	2.53	-67.29
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2C[N@@H+](C)CC(C)O2)CC1	REAL300029106334	1	56	0.0	-69.82	415.50	2.53	-67.29
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+]2CC3CC3C2)CC1	REAL300029106361	0	53	0.0	-74.25	403.00	3.44	-70.81
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCCC[N@@H+]2C)CC1	REAL300029106380	0	55	0.0	-61.30	407.35	3.10	-58.20
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C=C2CC[N@H+](C)C2)CC1	REAL300029106441	0	53	0.0	-73.56	405.32	3.09	-70.47
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C=C2CC[N@@H+](C)C2)CC1	REAL300029106441	1	53	0.0	-73.56	405.32	3.09	-70.47
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CNC2=CC=[NH+]C=C2)CC1	REAL300029106443	0	51	0.0	-74.11	403.25	0.82	-73.29
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2([NH+](C)C)CCCC2)CC1	REAL300029106494	0	58	0.0	-67.70	403.66	3.10	-64.60
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	REAL300029106512	0	52	0.0	-68.97	392.79	2.44	-66.53
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	REAL300029106512	1	52	0.0	-68.97	392.79	2.44	-66.53
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)CC1	REAL300029106594	0	55	0.0	-77.01	416.45	3.27	-73.74
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2(CC[NH+](C)C)CC2)CC1	REAL300029106602	0	58	0.0	-69.97	439.98	3.92	-66.05
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2CC=CC[N@@H+]2C)CC1	REAL300029106603	0	56	0.0	-69.00	413.81	3.61	-65.39
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2CC=CC[N@H+]2C)CC1	REAL300029106603	1	56	0.0	-69.00	413.81	3.61	-65.39
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)COCC[NH+](C)C)CC1	REAL300029106632	0	55	0.0	-73.12	423.41	2.67	-70.45
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CN2C=CSC2=[NH2+])CC1	REAL300029106657	0	48	0.0	-68.79	394.60	1.72	-67.07
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@@H](C)OCC[NH+](C)C)CC1	REAL300029106690	0	58	0.0	-72.90	438.69	3.10	-69.80
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+]2CCCCC2)CC1	REAL300029106715	0	55	0.0	-73.72	409.27	3.41	-70.31
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC[N@H+](C)C2)CC1	REAL300029106716	0	55	0.0	-68.50	402.73	2.97	-65.53
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC[N@@H+](C)C2)CC1	REAL300029106716	1	55	0.0	-74.31	411.85	3.10	-71.21
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+]2CCCCCC2)CC1	REAL300029106717	0	58	0.0	-72.94	418.71	3.58	-69.36
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N+]2=CN(C)C=C2)CC1	REAL300029106720	0	50	0.0	-70.99	398.79	5.06	-65.93
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+]2CCC(O)CC2)CC1	REAL300029106739	0	56	0.0	-78.23	420.36	0.07	-78.16
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+](C)C2CC2)CC1	REAL300029106740	1	52	0.0	-70.32	396.92	2.97	-67.35
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC[N@H+]2CCC(F)C2)CC1	REAL300029106743	1	55	0.0	-77.53	422.07	3.40	-74.13
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC(C)C[NH+](C)C)CC1	REAL300029106762	0	57	0.0	-76.81	424.72	3.61	-73.20
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2COCCN2C)CC1	REAL300029106781	0	56	0.0	-80.49	417.80	1.39	-79.10
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2COCC[N@@H+]2C)CC1	REAL300029106781	1	56	0.0	-80.56	417.93	1.39	-79.17
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2COCC[N@H+]2C)CC1	REAL300029106781	1	56	0.0	-80.49	417.80	1.39	-79.10
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=C[NH+]=C(N)C=C2C)CC1	REAL300029106817	1	51	0.0	-62.19	399.80	0.80	-61.39
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+]2CCC(C)(O)C2)CC1	REAL300029106844	1	56	0.0	-72.61	423.44	-0.05	-72.66
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2C[NH+](C)C2)CC1	REAL300029106867	0	52	0.0	-76.65	398.82	2.42	-74.23
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+](C)C)CC1	REAL300029106876	0	48	0.0	-74.75	367.54	1.55	-73.20
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC[N@H+](C)CCO)CC1	REAL300029106891	0	55	0.0	-75.54	417.98	-0.41	-75.95
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC[N@@H+](C)CCO)CC1	REAL300029106891	1	55	0.0	-75.11	418.03	-0.40	-75.51
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@H](C)[NH+](C)C)CC1	REAL300029106892	0	51	0.0	-71.82	383.03	1.92	-69.90
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2CCCC[N@@H+]2C)CC1	REAL300029106906	0	58	0.0	-68.61	419.28	3.65	-64.96
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2CCCC[N@H+]2C)CC1	REAL300029106906	1	58	0.0	-76.63	426.42	3.76	-72.87
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(C)[NH+]2CC(C)C2)CC1	REAL300029106916	0	55	0.0	-66.68	415.20	3.03	-63.65
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+]2CCC2C)CC1	REAL300029106918	0	52	0.0	-71.49	393.82	2.43	-69.06
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+]2CCC2C)CC1	REAL300029106918	1	52	0.0	-72.19	398.82	2.62	-69.57
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C=CC[NH+](C)C)CC1	REAL300029106924	0	52	0.0	-80.04	402.35	2.77	-77.27
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1	REAL300029106930	1	55	0.0	-74.11	417.91	3.11	-71.00
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+]2CCCC2CO)CC1	REAL300029106965	0	56	0.0	-69.61	413.39	0.12	-69.49
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+]2CCCC2CO)CC1	REAL300029106965	1	56	0.0	-72.78	417.18	-0.39	-73.17
CC[NH+](CC)CC(=O)N1CCC(COC)(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029106969	0	54	0.0	-72.13	402.99	2.91	-69.22
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+]2CCC2)CC1	REAL300029106978	1	49	0.0	-74.75	377.65	1.97	-72.78
CC[NH+](CC)CCC(=O)N1CCC(COC)(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029107006	0	57	0.0	-74.71	425.01	3.51	-71.20
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(C)[NH+]2CCC2)CC1	REAL300029107058	0	52	0.0	-71.61	393.32	2.40	-69.21
CCC(CC(=O)N1CCC(COC)(NC(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300029107063	0	60	0.0	-81.76	442.82	4.23	-77.53
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(C)(C)C[NH+](C)C)CC1	REAL300029107068	0	57	0.0	-69.07	405.87	3.27	-65.80
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1	REAL300029107100	0	55	0.0	-67.25	407.44	3.10	-64.15
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1	REAL300029107100	1	55	0.0	-70.16	399.90	2.75	-67.41
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC(O)C[NH+](C)C)CC1	REAL300029107121	0	55	0.0	-79.75	420.17	0.63	-79.12
C=CCC(C(=O)N1CCC(COC)(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029107142	0	55	0.0	-71.15	411.66	3.07	-68.08
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2(C)CC[NH+](C)CC2)CC1	REAL300029107154	0	58	0.0	-69.06	415.91	3.05	-66.01
C[C@@H]1CN(C(=O)C2CCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029107345	0	45	0.0	-69.46	337.56	3.37	-66.09
C[C@@H]1CN(C(=O)C2CCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029107345	1	45	0.0	-65.20	337.74	3.46	-61.74
C[C@@H]1CN(C(=O)C2C[N@H+](C)CCO2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029107369	1	46	0.0	-74.21	349.07	2.91	-71.30
C[C@@H]1CN(C(=O)C2C[N@@H+](C)CCO2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029107369	1	46	0.0	-74.89	347.92	2.78	-72.11
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029107571	1	52	0.0	-62.00	397.40	5.46	-56.54
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1)[NH+]1CCCCCC1	REAL300029107579	0	54	0.0	-63.66	378.26	4.71	-58.95
CC(C)[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029107582	0	54	0.0	-62.20	376.52	4.75	-57.45
CC(C)[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029107582	1	54	0.0	-62.07	374.07	4.51	-57.56
CC(C)[N@@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029107618	0	51	0.0	-62.01	370.82	4.26	-57.75
CC(C)[N@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029107618	1	51	0.0	-63.24	370.12	4.56	-58.68
C[C@@H]1CN(C(=O)C2CC3CCCC[N@@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029107648	0	52	0.0	-67.18	374.54	4.74	-62.44
C[C@@H]1CN(C(=O)C2CC3CCCC[N@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029107648	1	52	0.0	-67.38	379.14	5.16	-62.22
CC(C)C1=[NH+]C=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029107688	1	49	0.0	-63.51	385.63	5.45	-58.06
CC1=[NH+]C=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029107750	1	43	0.0	-64.95	345.39	4.19	-60.76
CC(C[NH+]1CCOCC1)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029107752	0	52	0.0	-70.50	385.06	3.18	-67.32
C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029107775	0	54	0.0	-69.08	397.42	5.53	-63.55
C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029107816	0	54	0.0	-60.38	374.17	4.61	-55.77
C[C@@H]1CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029107819	0	58	0.0	-68.76	417.69	6.42	-62.34
C[C@@H]1CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029107819	1	58	0.0	-75.18	414.28	6.13	-69.05
C[C@@H]1CN(C(=O)C2C[NH+]3CCC2CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029107837	0	49	0.0	-70.91	353.65	4.16	-66.75
C[C@@H]1CN(C(=O)C2CCCC3CCC[N@@H+]32)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029107904	0	52	0.0	-64.00	369.19	4.53	-59.47
C[C@@H]1CN(C(=O)C2CCCC3CCC[N@H+]32)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029107904	1	52	0.0	-61.70	380.31	5.21	-56.49
C[C@@H]1CN(C(=O)C2=CN(CC[NH+](C)C)N=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029107907	0	51	0.0	-74.78	398.17	3.76	-71.02
C[C@@H]1CN(C(=O)C2=NN(CC[NH+](C)C)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029107924	0	51	0.0	-83.76	393.62	4.09	-79.67
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)CC[N@@H+]1C	REAL300029107932	0	48	0.0	-70.63	348.14	3.50	-67.13
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)CC[N@H+]1C	REAL300029107932	1	48	0.0	-69.89	352.95	3.67	-66.22
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029107936	1	52	0.0	-62.43	397.90	5.53	-56.90
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)CC[N@@H+]1C	REAL300029107939	0	51	0.0	-68.71	368.83	4.02	-64.69
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)CC[N@H+]1C	REAL300029107939	1	51	0.0	-67.64	371.20	4.51	-63.13
CC[N@@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)C1	REAL300029107969	1	49	0.0	-72.62	360.31	3.33	-69.29
CC[N@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)C1	REAL300029107969	1	49	0.0	-80.14	367.26	3.47	-76.67
CC[NH+](CC)CC(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029108045	0	50	0.0	-73.05	368.71	3.90	-69.15
C[C@@H]1CN(C(=O)C2=C(C[NH+](C)C)C=CS2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029108046	0	48	0.0	-61.25	374.64	4.55	-56.70
C[C@@H]1CN(C(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029108100	1	52	0.0	-73.06	399.00	3.88	-69.18
C[C@@H]1CN(C(=O)C2=NNC(C3CCC[N@H+]3C)=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029108100	1	52	0.0	-73.16	394.52	3.64	-69.52
CC1CCC(C)[NH+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029108175	0	51	0.0	-64.89	370.84	4.29	-60.60
C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029108186	0	51	0.0	-69.23	385.08	5.20	-64.03
C[C@@H]1CN(C(=O)C2=CC=CC(C[NH+](C)C)=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029108187	0	51	0.0	-69.04	388.34	5.43	-63.61
C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)CC1	REAL300029108197	0	50	0.0	-72.19	379.51	5.05	-67.14
C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029108199	0	51	0.0	-69.75	380.30	5.16	-64.59
C[C@@H]1CN(C(=O)C2=CC=CC=C2C[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029108203	0	51	0.0	-63.57	385.41	5.53	-58.04
CC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029108215	0	51	0.0	-64.56	359.40	3.97	-60.59
CC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029108215	1	51	0.0	-62.56	370.31	4.52	-58.04
CC(C)C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1)[NH+]1CCCCC1	REAL300029108216	0	57	0.0	-62.13	392.94	5.66	-56.47
C[C@@H]1CN(C(=O)C(C2=CC=CC=C2)[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029108220	1	51	0.0	-64.57	380.35	5.58	-58.99
CC(C)C[N@@H+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)C1	REAL300029108247	0	54	0.0	-67.78	393.52	5.07	-62.71
CC(C)C[N@H+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)C1	REAL300029108247	1	54	0.0	-73.82	397.02	5.34	-68.48
C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029108251	0	48	0.0	-66.64	335.59	3.32	-63.32
C[C@@H]1CN(C(=O)C2CCC[N@@H+]2C2CCOCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029108254	0	56	0.0	-66.32	395.20	4.10	-62.22
C[C@@H]1CN(C(=O)C2CCC[N@H+]2C2CCOCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029108254	1	56	0.0	-66.75	391.74	3.97	-62.78
C[C@@H]1CN(C(=O)C(CN2C=CC=N2)[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029108256	1	51	0.0	-60.51	379.06	3.76	-56.75
CC(C)[N@@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029108263	0	54	0.0	-61.65	383.40	4.51	-57.14
CC(C)[N@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029108263	1	54	0.0	-61.82	384.77	4.66	-57.16
C[C@@H]1CN(C(=O)C2CCC[N@@H+]2C2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029108264	0	55	0.0	-64.71	386.57	5.97	-58.74
C[C@@H]1CN(C(=O)C2CCC[N@H+]2C2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029108264	1	55	0.0	-65.09	391.48	6.02	-59.07
CC(C)[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1)[NH+](C)C	REAL300029108294	0	50	0.0	-65.12	351.23	3.83	-61.29
C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029108367	0	48	0.0	-66.72	358.42	4.34	-62.38
C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029108367	1	48	0.0	-66.79	362.43	4.65	-62.14
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1)[NH+]1C(C)CCC1C	REAL300029108472	0	54	0.0	-67.70	372.59	4.32	-63.38
C[C@@H]1CN(C(=O)CCN(C)C2=CC=[NH+]C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029108557	0	50	0.0	-64.90	390.97	4.38	-60.52
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029108571	1	47	0.0	-63.67	357.14	4.00	-59.67
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029108571	1	47	0.0	-64.66	363.86	4.52	-60.14
C[C@@H]1CN(C(=O)CCC2CCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029108583	0	51	0.0	-68.10	373.72	4.36	-63.74
C[C@@H]1CN(C(=O)CCC2CCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029108583	1	51	0.0	-70.40	383.40	5.11	-65.29
C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029108600	0	52	0.0	-70.01	362.09	4.15	-65.86
C[C@@H]1CN(C(=O)C2CCC3CCCC[N@@H+]32)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029108608	0	52	0.0	-62.31	379.43	5.38	-56.93
C[C@@H]1CN(C(=O)C2CCC3CCCC[N@H+]32)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029108608	1	52	0.0	-61.75	375.64	5.00	-56.75
C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029108620	0	55	0.0	-68.14	386.91	3.09	-65.05
CC[NH+](CC)CC1=CC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)O1	REAL300029108637	0	54	0.0	-67.07	408.40	5.42	-61.65
C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029108642	0	54	0.0	-68.76	403.44	5.75	-63.01
C[C@@H]1CN(C(=O)C[N@H+](C)CC2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029108645	1	51	0.0	-72.66	388.63	5.85	-66.81
C[C@@H]1CN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029108645	1	51	0.0	-73.16	392.62	6.17	-66.99
C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029108663	0	48	0.0	-70.74	354.84	3.91	-66.83
C[C@@H]1CN(C(=O)C2=NOC(C[NH+](C)C)=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029108736	1	47	0.0	-75.22	366.89	3.54	-71.68
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)C=CC2=C[NH+]=CN21	REAL300029108738	0	46	0.0	-66.53	367.92	6.30	-60.23
C[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029108797	0	48	0.0	-64.23	356.98	4.24	-59.99
C[C@@H]1CN(C(=O)C2CCCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029108797	1	48	0.0	-63.79	352.34	3.90	-59.89
CC(C)C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029108834	0	54	0.0	-64.61	393.63	5.27	-59.34
CC(C)C[N@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029108834	1	54	0.0	-64.13	392.24	5.25	-58.88
C[C@@H]1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029109023	0	43	0.0	-67.89	346.86	5.73	-62.16
CC1=[NH+]C=CN1CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029109039	1	49	0.0	-66.00	382.93	5.19	-60.81
C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029109043	1	55	0.0	-72.07	410.38	4.02	-68.05
C[C@@H]1CN(C(=O)C2=CC=C(C[NH+](C)C)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029109049	0	51	0.0	-71.65	390.33	5.46	-66.19
C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029109050	1	49	0.0	-72.56	366.67	2.28	-70.28
C[C@@H]1CN(C(=O)C(C)(C2=CC=CC=C2)[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029109072	0	54	0.0	-62.24	385.65	5.51	-56.73
CCC[NH+](CCC)CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029109080	0	59	0.0	-69.72	430.10	6.26	-63.46
CC[N@H+](C)C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1)C1=CC=CC=C1	REAL300029109081	0	54	0.0	-63.64	397.77	6.23	-57.41
CC[N@@H+](C)C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1)C1=CC=CC=C1	REAL300029109081	1	54	0.0	-64.42	402.88	7.08	-57.34
CC1=C[NH+]=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029109108	1	43	0.0	-68.11	345.99	5.00	-63.11
C[C@@H]1CN(C(=O)CN2C=[NH+]C3=C2CCCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029109122	1	50	0.0	-67.04	387.93	6.72	-60.32
C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029109170	0	57	0.0	-69.73	385.02	5.19	-64.54
C[C@@H]1CN(C(=O)C2=CC=CC=C2CC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029109171	0	54	0.0	-66.12	408.32	6.19	-59.93
C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029109178	0	57	0.0	-70.86	414.65	6.31	-64.55
C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029109178	1	57	0.0	-70.40	410.53	6.03	-64.37
C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029109184	0	49	0.0	-70.63	342.91	3.74	-66.89
C[C@@H]1CN(C(=O)C2CCCC([NH+](C)C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029109228	0	54	0.0	-68.33	382.51	4.85	-63.48
C[C@@H]1CN(C(=O)CC2CC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029109235	0	48	0.0	-71.00	362.73	4.34	-66.66
C[C@@H]1CN(C(=O)CC2CC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029109235	1	48	0.0	-76.37	362.45	4.21	-72.16
C[C@@H]1CN(C(=O)C2=C[NH+]=CC=C2N(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029109249	0	47	0.0	-69.47	368.81	2.29	-67.18
CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1)[NH+](C)C	REAL300029109255	0	47	0.0	-65.84	345.66	3.64	-62.20
C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029109280	0	54	0.0	-70.56	380.06	5.05	-65.51
C[C@@H]1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029109359	1	43	0.0	-70.15	342.59	5.60	-64.55
C[C@@H]1CN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029109408	1	46	0.0	-72.16	368.74	4.06	-68.10
C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029109444	0	50	0.0	-70.28	381.61	4.85	-65.43
CC(C)C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1)[NH+](C)C	REAL300029109469	0	50	0.0	-64.91	358.79	4.06	-60.85
CCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029109471	0	50	0.0	-71.07	377.83	4.67	-66.40
CCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029109471	1	50	0.0	-70.59	373.72	4.39	-66.20
CCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029109478	0	47	0.0	-69.17	355.18	3.98	-65.19
CCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029109478	1	47	0.0	-68.72	351.16	3.66	-65.06
C[C@@H]1CN(C(=O)C23CC[N@H+](C2)CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029109511	0	49	0.0	-68.62	345.50	3.11	-65.51
C[C@@H]1CN(C(=O)C23CC[N@@H+](C2)CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029109511	1	49	0.0	-69.37	350.38	3.53	-65.84
C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029109587	0	45	0.0	-64.62	334.12	3.13	-61.49
C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029109587	1	45	0.0	-66.78	331.15	2.90	-63.88
CC1CC2CCC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H](C)C3)C[N@@H+]2C1	REAL300029109618	0	55	0.0	-71.49	400.36	5.66	-65.83
CC1CC2CCC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H](C)C3)C[N@H+]2C1	REAL300029109618	1	55	0.0	-61.75	391.10	5.62	-56.13
CCCCCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029109678	0	56	0.0	-70.39	419.68	6.33	-64.06
CCCCCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029109678	1	56	0.0	-70.43	419.73	6.30	-64.13
CC[NH+](CC)C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1)C(C)C	REAL300029109690	0	56	0.0	-63.10	388.88	5.11	-57.99
CC[NH+](CC)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029109703	0	47	0.0	-66.87	351.93	3.92	-62.95
CCC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)C1	REAL300029109736	0	54	0.0	-67.54	392.51	5.15	-62.39
CCC[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)C1	REAL300029109736	1	54	0.0	-67.49	393.95	5.23	-62.26
C[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029109749	0	58	0.0	-62.77	403.81	6.55	-56.22
C[C@@H]1CN(C(=O)C2CCCC[N@H+]2C2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029109749	1	58	0.0	-60.98	407.32	6.12	-54.86
CC(C)[N@@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)C1	REAL300029109762	1	52	0.0	-69.62	383.37	3.96	-65.66
CC(C)[N@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)C1	REAL300029109762	1	52	0.0	-65.50	376.83	3.89	-61.61
CC1CC[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)CC1	REAL300029109806	0	51	0.0	-68.78	374.71	4.87	-63.91
C[C@@H]1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029109840	1	46	0.0	-74.15	373.16	3.71	-70.44
C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029109850	0	52	0.0	-72.68	395.91	4.75	-67.93
C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029109870	0	48	0.0	-67.67	364.04	4.12	-63.55
CC1=[NH+]C=C2CCC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H](C)C3)CN21	REAL300029109871	1	50	0.0	-61.70	381.01	5.06	-56.64
CC(C)[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)CC1	REAL300029109983	0	54	0.0	-68.07	389.15	5.08	-62.99
C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110015	0	48	0.0	-70.74	354.84	3.91	-66.83
CC(C)[C@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1)[NH+](C)C	REAL300029110038	0	50	0.0	-65.37	352.75	3.86	-61.51
CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1)[NH+](CC)CC	REAL300029110078	0	53	0.0	-61.51	373.00	4.41	-57.10
CC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029110182	0	47	0.0	-69.88	352.22	3.65	-66.23
CC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029110182	1	47	0.0	-69.91	352.22	3.64	-66.27
CC1CCC[N@@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029110271	0	48	0.0	-65.73	362.27	4.32	-61.41
CC1CCC[N@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029110271	1	48	0.0	-65.33	354.69	3.93	-61.40
CC1CC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)C1	REAL300029110274	0	48	0.0	-68.25	362.35	4.40	-63.85
CC1CC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)C1	REAL300029110274	1	48	0.0	-67.68	357.47	4.04	-63.64
C[C@@H]1CN(C(=O)C2(F)CC[N@@H+](C(C)(C)C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110275	0	54	0.0	-63.51	390.28	4.55	-58.96
C[C@@H]1CN(C(=O)C2(F)CC[N@H+](C(C)(C)C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110275	1	54	0.0	-64.98	392.12	4.66	-60.32
CC1=[NH+]C=C2CC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H](C)C3)CCN21	REAL300029110277	1	50	0.0	-70.18	380.59	5.08	-65.10
C[C@@H]1CN(C(=O)C2=CC=C(CC[NH+](C)C)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110279	0	54	0.0	-73.17	412.72	6.40	-66.77
C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110281	0	51	0.0	-68.44	381.74	4.87	-63.57
C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110281	1	51	0.0	-68.28	381.43	4.91	-63.37
C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110282	0	53	0.0	-68.49	386.03	5.11	-63.38
C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110282	1	53	0.0	-68.87	383.18	4.96	-63.91
C[C@@H]1CN(C(=O)C[N@H+](C)CCC2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110283	0	54	0.0	-73.55	415.09	7.01	-66.54
C[C@@H]1CN(C(=O)C[N@@H+](C)CCC2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110283	1	54	0.0	-73.05	411.06	6.69	-66.36
CC[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1)[NH+](C)C	REAL300029110295	0	47	0.0	-66.75	346.53	3.62	-63.13
CC(COCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1)[NH+]1CCCC1	REAL300029110303	0	55	0.0	-66.35	414.92	5.49	-60.86
C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110420	0	55	0.0	-70.58	402.85	5.78	-64.80
C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110483	0	55	0.0	-73.76	413.65	6.60	-67.16
C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110483	1	55	0.0	-74.02	412.68	6.90	-67.12
C[C@@H]1CN(C(=O)CC2(O)CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110594	0	52	0.0	-70.29	382.57	2.70	-67.59
COCC[N@@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029110603	0	55	0.0	-61.09	402.38	4.26	-56.83
COCC[N@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029110603	1	55	0.0	-68.56	403.40	3.41	-65.15
C[C@@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110616	0	52	0.0	-71.49	385.68	1.53	-69.96
C[C@@H]1CN(C(=O)C[NH+]2CCCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110620	0	51	0.0	-67.90	363.09	4.43	-63.47
C[C@@H]1CN(C(=O)C[N+]2=CN(C)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110625	0	43	0.0	-65.81	343.15	5.77	-60.04
C[C@@H]1CN(C(=O)C2CCC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110638	0	48	0.0	-65.03	352.24	4.26	-60.77
C[C@@H]1CN(C(=O)C2CCC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110638	1	48	0.0	-64.83	348.28	3.97	-60.86
C[C@@H]1CN(C(=O)C2CCC[N@@H+]2C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110643	0	49	0.0	-62.72	369.00	4.95	-57.77
C[C@@H]1CN(C(=O)C2CCC[N@H+]2C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110643	1	49	0.0	-62.87	364.99	4.85	-58.02
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1)[NH+]1CCC1	REAL300029110684	1	45	0.0	-64.85	338.56	3.12	-61.73
CCC(CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1)C[NH+](C)C	REAL300029110696	0	53	0.0	-70.77	387.24	5.13	-65.64
C[C@@H]1CN(C(=O)C(C)(C)C[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110705	0	50	0.0	-68.95	354.94	3.57	-65.38
C[C@@H]1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110729	0	50	0.0	-68.04	364.60	4.80	-63.24
C[C@@H]1CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110729	1	50	0.0	-61.88	369.29	4.56	-57.32
C[C@@H]1CN(C(=O)C[NH+]2CCC(O)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110757	1	49	0.0	-72.14	364.95	0.91	-71.23
C[C@@H]1CN(C(=O)C[N@H+](C)C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110759	0	45	0.0	-66.76	345.69	4.07	-62.69
C[C@@H]1CN(C(=O)C[N@@H+](C)C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110759	1	45	0.0	-65.77	341.55	3.78	-61.99
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1)N1CC[NH+](C)CC1	REAL300029110760	1	53	0.0	-69.01	390.66	2.51	-66.50
C[C@@H]1CN(C(=O)CC2C[NH+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110796	0	45	0.0	-70.37	347.57	3.55	-66.82
C[C@@H]1CN(C(=O)C2CC[N@@H+]2C2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110800	0	52	0.0	-67.12	383.66	5.16	-61.96
C[C@@H]1CN(C(=O)C2CC[N@H+]2C2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110800	1	52	0.0	-67.02	381.69	5.05	-61.97
C[C@@H]1CN(C(=O)C2CC[N@@H+]2C(C)(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110809	0	51	0.0	-64.00	373.70	4.05	-59.95
C[C@@H]1CN(C(=O)C2CC[N@H+]2C(C)(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110809	1	51	0.0	-64.57	360.78	3.77	-60.80
C[C@@H]1CN(C(=O)C2CCN(C3=CC=[NH+]C=C3)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110822	0	51	0.0	-70.42	389.40	3.16	-67.26
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1)[NH+](C)C	REAL300029110826	0	44	0.0	-66.11	327.35	2.67	-63.44
CCC1CCC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)C1	REAL300029110885	0	54	0.0	-67.72	389.71	5.33	-62.39
CCC1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)C1	REAL300029110885	1	54	0.0	-68.47	386.30	5.45	-63.02
C[C@@H]1CN(C(=O)C2=CC=C(C[NH+](C)C)N2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110895	0	49	0.0	-69.20	377.76	4.16	-65.04
C[C@@H]1CN(C(=O)CC2CC3CCC(C2)[NH+]3C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110912	0	55	0.0	-67.37	394.98	5.67	-61.70
C[C@@H]1CN(C(=O)CC(C2=CC=CC=C2)[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110919	0	54	0.0	-73.44	405.98	6.69	-66.75
C[C@@H]1CN(C(=O)CN2C=CSC2=[NH2+])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110967	0	41	0.0	-64.33	343.31	2.84	-61.49
C[C@@H]1CN(C(=O)CC[N@H+](C)CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110980	0	48	0.0	-69.67	362.57	0.43	-69.24
C[C@@H]1CN(C(=O)CC[N@@H+](C)CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110980	1	48	0.0	-69.62	366.57	0.73	-68.89
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1)[NH+](C)C	REAL300029110981	0	44	0.0	-66.11	327.35	2.67	-63.44
C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110986	0	48	0.0	-64.04	356.08	4.14	-59.90
C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110986	1	48	0.0	-66.51	348.23	3.82	-62.69
CC1CN2CC[N@H+]1CC2C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029110997	0	51	0.0	-70.42	364.89	1.11	-69.31
CC1CN2CC[N@@H+]1CC2C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029110997	1	51	0.0	-70.24	359.27	0.87	-69.37
COC1C[N@@H+]2CCCC2(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)C1	REAL300029111051	0	53	0.0	-61.95	382.58	2.61	-59.34
COC1C[N@H+]2CCCC2(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)C1	REAL300029111051	1	53	0.0	-62.40	385.45	2.78	-59.62
C[C@@H]1CN(C(=O)CC2=CC3=C[NH+]=CN3C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111069	0	46	0.0	-68.44	370.42	6.77	-61.67
C[C@@H]1CN(C(=O)C[N@H+](C)C2CCSC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111106	0	49	0.0	-73.97	371.50	4.62	-69.35
C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCSC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111106	1	49	0.0	-74.03	371.55	4.62	-69.41
C[C@@H]1CN(C(=O)C[NH+]2CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111107	1	42	0.0	-69.21	326.60	3.13	-66.08
C[C@@H]1CN(C(=O)C2=CC=NC(C[NH+](C)C)=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111151	1	50	0.0	-67.42	385.74	3.74	-63.68
C[C@@H]1CN(C(=O)C=C2CC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111153	0	46	0.0	-77.17	348.92	3.87	-73.30
C[C@@H]1CN(C(=O)C=C2CC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111153	1	46	0.0	-71.95	349.92	3.93	-68.02
C[C@@H]1CN(C(=O)C2C[NH+](C3CCCCC3)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111184	0	55	0.0	-70.99	403.53	5.69	-65.30
C[C@@H]1CN(C(=O)COCC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111205	0	48	0.0	-68.02	371.88	3.67	-64.35
CCCCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029111213	0	56	0.0	-71.97	420.82	6.23	-65.74
CCCCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029111213	1	56	0.0	-71.51	416.72	5.95	-65.56
C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111225	0	52	0.0	-67.92	387.82	4.27	-63.65
C=CCC(C)(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1)[NH+](C)C	REAL300029111237	0	51	0.0	-62.06	358.27	3.94	-58.12
C[C@@H]1CN(C(=O)C(O)CC[S+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111242	0	47	0.0	-68.09	377.02	2.08	-66.01
C[C@@H]1CN(C(=O)C2(C)CC(O)C[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111285	0	49	0.0	-66.24	352.04	-0.59	-66.83
C[C@@H]1CN(C(=O)C2CN(C)CC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111300	0	53	0.0	-66.29	383.04	1.94	-64.35
C[C@@H]1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111300	1	53	0.0	-66.29	383.04	1.94	-64.35
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1)[N@@H+]1CCCC(O)C1	REAL300029111301	0	52	0.0	-63.81	382.34	1.61	-62.20
C[C@@H]1CN(C(=O)CC2(O)CCC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111330	0	52	0.0	-65.69	372.96	2.56	-63.13
C[C@@H]1CN(C(=O)CC2(O)CCC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111330	1	52	0.0	-65.69	372.96	2.56	-63.13
CC1CN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)C1	REAL300029111334	0	45	0.0	-68.35	343.19	3.34	-65.01
CC1C[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)C1	REAL300029111334	1	45	0.0	-68.35	343.19	3.34	-65.01
C[C@@H]1CN(C(=O)CN(C)CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111366	0	45	0.0	-69.69	344.09	-0.02	-69.71
C[C@@H]1CN(C(=O)C[N@H+](C)CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111366	1	45	0.0	-68.73	343.86	0.00	-68.73
C[C@@H]1CN(C(=O)C[N@@H+](C)CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111366	1	45	0.0	-68.73	343.86	0.00	-68.73
C[C@@H]1CN(C(=O)C=C2CC3CCC(C2)[NH+]3C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111399	0	53	0.0	-68.94	388.21	5.53	-63.41
C[C@@H]1CN(C(=O)C2C[N@@H+]3CCN2CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111404	0	51	0.0	-71.46	358.33	1.60	-69.86
C[C@@H]1CN(C(=O)C2C[N@H+]3CCN2CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111404	1	51	0.0	-71.46	358.33	1.60	-69.86
CC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)C1	REAL300029111415	0	51	0.0	-70.35	377.75	4.77	-65.58
CC[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)C1	REAL300029111415	1	51	0.0	-70.35	377.75	4.77	-65.58
CC(CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1)C[NH+](C)C	REAL300029111417	0	50	0.0	-71.94	373.47	4.73	-67.21
CC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029111435	0	44	0.0	-68.85	333.74	3.21	-65.64
C[C@@H]1CN(C(=O)C23CCC[N@@H+]2CCCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111467	0	52	0.0	-61.72	360.64	4.01	-57.71
C[C@@H]1CN(C(=O)C23CCC[N@H+]2CCCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111467	1	52	0.0	-61.72	360.64	4.01	-57.71
C[C@@H]1CN(C(=O)C23CCC[N@@H+]2CC=CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111477	0	50	0.0	-61.82	357.57	4.19	-57.63
C[C@@H]1CN(C(=O)C23CCC[N@H+]2CC=CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111477	1	50	0.0	-61.82	357.57	4.19	-57.63
CC[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1)C1CC1	REAL300029111510	0	48	0.0	-65.86	361.96	4.58	-61.28
CC[NH+](CC)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029111535	0	50	0.0	-69.49	369.90	4.35	-65.14
C[C@@H]1CN(C(=O)CN2CC(C)(C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111576	0	48	0.0	-68.92	366.55	4.19	-64.73
C[C@@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111576	1	48	0.0	-68.92	366.55	4.19	-64.73
C[C@@H]1CN(C(=O)CCCC[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111582	0	57	0.0	-68.92	419.12	6.44	-62.48
C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(O)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111620	0	49	0.0	-68.94	372.54	0.96	-67.98
C[C@@H]1CN(C(=O)C=CC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111633	0	45	0.0	-72.71	352.43	3.94	-68.77
CC(OCC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029111664	0	51	0.0	-67.88	383.09	3.93	-63.95
C[C@@H]1CN(C(=O)CCOCC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111677	0	51	0.0	-67.44	389.03	3.21	-64.23
COCCN(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029111678	0	48	0.0	-68.45	366.11	2.39	-66.06
COCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029111678	1	48	0.0	-69.87	366.34	2.38	-67.49
COCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029111678	1	48	0.0	-69.87	366.34	2.38	-67.49
COCCCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029111716	0	57	0.0	-74.31	428.89	4.24	-70.07
COCCCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029111716	1	57	0.0	-74.31	428.89	4.24	-70.07
C[C@@H]1CN(C(=O)C2([NH+](C)C)CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111744	0	51	0.0	-66.93	347.48	3.96	-62.97
CC(CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1)[NH+](C)C	REAL300029111747	0	50	0.0	-68.70	373.42	4.36	-64.34
CCN1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029111758	0	45	0.0	-66.89	342.67	3.17	-63.72
CC[N@@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029111758	1	45	0.0	-66.35	339.48	3.30	-63.05
CC[N@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029111758	1	45	0.0	-66.35	339.48	3.30	-63.05
CC(C)[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)C1	REAL300029111774	0	54	0.0	-63.75	385.88	5.38	-58.37
CC(C)[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)C1	REAL300029111774	1	54	0.0	-63.75	385.88	5.38	-58.37
C[C@@H]1CN(C(=O)C2CCN(C3=NC=CN3C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111775	0	52	0.0	-64.36	400.80	5.08	-59.28
C[C@@H]1CN(C(=O)C2CCN(C3=[NH+]C=CN3C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111775	1	52	0.0	-64.36	400.80	5.08	-59.28
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1)[N@H+](C)CC1=CC=CC=C1	REAL300029111782	0	54	0.0	-68.70	408.71	6.60	-62.10
C[C@@H]1CN(C(=O)C[N@@H+]2CCCC2CO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111791	0	49	0.0	-67.27	370.40	1.15	-66.12
C[C@@H]1CN(C(=O)C2CC3CCCC[N@@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111824	0	52	0.0	-67.38	379.14	5.16	-62.22
C[C@@H]1CN(C(=O)C2CC3CCCC[N@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111824	1	52	0.0	-67.38	379.14	5.16	-62.22
C[C@@H]1CN(C(=O)C2(C)CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111835	0	51	0.0	-66.63	363.18	4.06	-62.57
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1)[NH+]1CCC(O)CC1	REAL300029111864	0	52	0.0	-67.72	379.93	1.18	-66.54
C#CC1(O)CC[NH+](C(C)C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)CC1	REAL300029111873	0	54	0.0	-66.37	407.08	2.36	-64.01
C=CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1)[NH+](C)C	REAL300029111885	0	48	0.0	-64.62	356.69	4.04	-60.58
C[C@@H]1CN(C(=O)C23CCC([NH+](C)C)(CC2)CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111898	0	58	0.0	-77.72	396.90	5.25	-72.47
C[C@@H]1CN(C(=O)C2CC(C)(C)C[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111906	0	51	0.0	-67.26	368.96	4.19	-63.07
C[C@@H]1CN(C(=O)C2CC(C)(C)C[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111906	1	51	0.0	-64.22	377.80	4.43	-59.79
C[C@@H]1CN(C(=O)CCCCC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111911	0	53	0.0	-69.38	398.98	5.35	-64.03
C[C@@H]1CN(C(=O)C[NH+]2CC3CC3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111923	0	46	0.0	-68.38	347.71	4.25	-64.13
CC1C[N@@H+](C2CCC2C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)CCO1	REAL300029111944	0	56	0.0	-67.47	412.48	4.47	-63.00
CC1C[N@H+](C2CCC2C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)CCO1	REAL300029111944	1	56	0.0	-67.54	408.67	4.20	-63.34
CC1C[N@H+]2CCN1C(C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C1)C2	REAL300029111972	0	51	0.0	-70.87	365.86	1.29	-69.58
CC1C[N@@H+]2CCN1C(C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C1)C2	REAL300029111972	1	51	0.0	-71.58	361.39	1.09	-70.49
CCCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1)[NH+](C)C	REAL300029111974	0	50	0.0	-66.15	361.32	3.97	-62.18
C[C@@H]1CN(C(=O)C(C)(C)[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111980	0	47	0.0	-64.47	333.56	3.03	-61.44
CC[NH+](CC)CCSCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029112029	0	54	0.0	-69.87	418.67	5.96	-63.91
C[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112041	0	48	0.0	-64.23	356.98	4.24	-59.99
C[C@@H]1CN(C(=O)C2CCCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112041	1	48	0.0	-63.79	352.34	3.90	-59.89
C[C@@H]1CN(C(=O)CC2=CC[N@H+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112103	0	49	0.0	-68.23	371.05	4.63	-63.60
C[C@@H]1CN(C(=O)CC2=CC[N@@H+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112103	1	49	0.0	-67.08	371.27	4.75	-62.33
C[C@@H]1CN(C(=O)CC2([NH+]3CCCC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112116	0	52	0.0	-65.18	377.21	5.07	-60.11
C[C@@H]1CN(C(=O)C2(C[NH+]3CCCC3)CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112143	0	58	0.0	-65.06	405.19	5.88	-59.18
C[C@@H]1CN(C(=O)C(C)(C)C2CCC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112183	0	57	0.0	-70.63	396.53	4.81	-65.82
C[C@@H]1CN(C(=O)C(C)(C)C2CCC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112183	1	57	0.0	-70.63	396.53	4.81	-65.82
C[C@@H]1CN(C(=O)C2=CC=C(CN(C)C)O2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112188	0	48	0.0	-68.63	372.47	4.01	-64.62
C[C@@H]1CN(C(=O)C2=CC=C(C[NH+](C)C)O2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112188	1	48	0.0	-68.63	372.47	4.01	-64.62
C[C@@H]1CN(C(=O)C=CC[NH+]2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112215	0	49	0.0	-71.13	375.76	4.92	-66.21
C[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112247	0	52	0.0	-67.94	381.31	5.04	-62.90
C[C@@H]1CN(C(=O)C2C[N@H+](C)CC2C(F)(F)F)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112272	0	48	0.0	-73.35	365.67	3.56	-69.79
C[C@@H]1CN(C(=O)C2C[N@@H+](C)CC2C(F)(F)F)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112272	1	48	0.0	-73.35	365.67	3.56	-69.79
C[C@@H]1CN(C(=O)CC[NH+]2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112278	0	48	0.0	-69.25	359.23	3.96	-65.29
C[C@@H]1CN(C(=O)C2CC(=O)N(C3CN(C)C3)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112289	0	53	0.0	-69.49	399.03	3.17	-66.32
C[C@@H]1CN(C(=O)C2CC(=O)N(C3C[NH+](C)C3)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112289	1	53	0.0	-69.49	399.03	3.17	-66.32
C[C@@H]1CN(C(=O)C23CC(C2)C[N@@H+]3C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112351	0	46	0.0	-71.77	339.15	3.42	-68.35
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)C=NN1CC[NH+](C)C	REAL300029112367	0	54	0.0	-75.64	413.25	3.98	-71.66
C[C@@H]1CN(C(=O)C[N@@H+]2CC3CCC2C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112370	0	49	0.0	-65.83	360.37	4.45	-61.38
C[C@@H]1CN(C(=O)C[N@H+]2CC3CCC2C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112370	1	49	0.0	-65.83	360.37	4.45	-61.38
CC(C)[NH+]1CCC(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)CC1	REAL300029112387	0	57	0.0	-65.95	413.73	6.27	-59.68
C[C@@H]1CN(C(=O)C=C2C[NH+]3CCC2CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112442	0	50	0.0	-66.82	371.01	4.97	-61.85
C[C@@H]1CN(C(=O)CN2CC3C=CC2C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112455	0	47	0.0	-65.24	355.22	4.57	-60.67
C[C@@H]1CN(C(=O)C[N@@H+]2CC3C=CC2C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112455	1	47	0.0	-66.73	355.56	4.62	-62.11
C[C@@H]1CN(C(=O)C[N@H+]2CC3C=CC2C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112455	1	47	0.0	-66.73	355.56	4.62	-62.11
C[C@@H]1CN(C(=O)C(C[NH+](C)C)C2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112498	0	54	0.0	-65.67	411.13	6.46	-59.21
CC(C[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029112532	0	47	0.0	-69.39	348.40	3.36	-66.03
C[C@@H]1CN(C(=O)CC2CCCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112644	0	51	0.0	-63.65	368.00	4.79	-58.86
C[C@@H]1CN(C(=O)CC2CCCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112644	1	51	0.0	-63.65	368.00	4.79	-58.86
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H](C)C3)C=CN2C=N1	REAL300029112667	0	46	0.0	-67.28	368.90	6.33	-60.95
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H](C)C3)C=CN2C=[NH+]1	REAL300029112667	1	46	0.0	-67.28	368.90	6.33	-60.95
CC1CCN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029112672	0	45	0.0	-66.05	337.64	3.06	-62.99
CC1CC[N@@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029112672	1	45	0.0	-67.52	347.49	3.78	-63.74
CC1CC[N@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029112672	1	45	0.0	-67.52	347.49	3.78	-63.74
C[C@@H]1CN(C(=O)CC(O)C[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112677	0	48	0.0	-73.15	364.86	1.43	-71.72
CC1CN(C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)O1	REAL300029112718	0	49	0.0	-72.36	359.23	3.22	-69.14
CC1C[N@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)O1	REAL300029112718	1	49	0.0	-74.54	370.28	3.63	-70.91
CC1C[N@@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)O1	REAL300029112718	1	49	0.0	-74.54	370.28	3.63	-70.91
C[C@@H]1CN(C(=O)CC[NH+]2CCC(O)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112732	0	52	0.0	-73.56	391.39	1.81	-71.75
CCC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029112735	0	54	0.0	-65.37	384.81	5.01	-60.36
CCC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029112735	1	54	0.0	-65.37	384.81	5.01	-60.36
CC[NH+]1CCN(CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)CC1	REAL300029112739	0	56	0.0	-71.09	413.73	3.26	-67.83
CCN1CC[NH+](CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)CC1	REAL300029112739	1	56	0.0	-71.09	413.73	3.26	-67.83
C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112742	0	55	0.0	-65.69	383.64	5.52	-60.17
C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112742	1	55	0.0	-65.69	383.64	5.52	-60.17
CC(C)C[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)CC1	REAL300029112796	0	57	0.0	-70.28	412.99	6.04	-64.24
C[C@@H]1CN(C(=O)CN2CCC([NH+](C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112829	0	56	0.0	-68.96	405.92	3.10	-65.86
C[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112854	0	48	0.0	-68.86	361.15	4.10	-64.76
CC(CC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029112864	0	50	0.0	-74.66	368.53	4.02	-70.64
C[C@@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112902	0	52	0.0	-66.81	386.88	2.05	-64.76
C[C@@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112902	1	52	0.0	-64.35	386.99	2.06	-62.29
C#CC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029112912	1	50	0.0	-63.56	382.55	5.40	-58.16
C#CC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029112912	1	50	0.0	-65.20	366.84	4.62	-60.58
C[C@@H]1CN(C(=O)C(CC2=CC=CC=C2)[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112918	0	54	0.0	-69.80	397.00	6.24	-63.56
C[C@@H]1CN(C(=O)CN2CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112920	1	50	0.0	-69.12	371.55	1.88	-67.24
CC[NH+]1CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)CC1	REAL300029112933	0	53	0.0	-67.93	393.10	2.86	-65.07
C[C@@H]1CN(C(=O)CSC(N)=[NH2+])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112966	0	39	0.0	-69.27	323.93	-0.41	-69.68
CC[N@@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029113020	0	52	0.0	-69.75	375.21	2.68	-67.07
C[C@@H]1CN(C(=O)C2(CC[NH+](C)C)CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029113042	0	57	0.0	-69.22	404.22	5.29	-63.93
CC1CCCC(C)[NH+]1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029113044	0	57	0.0	-65.47	409.59	5.84	-59.63
C[C@@H]1CN(C(=O)C2CCC([NH+](C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029113047	0	54	0.0	-70.26	389.22	5.03	-65.23
C[C@@H]1CN(C(=O)C2(CC[NH+](C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029113048	0	51	0.0	-68.64	382.05	4.73	-63.91
C[C@@H]1CN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029113052	0	54	0.0	-67.53	385.12	5.14	-62.39
C[C@@H]1CN(C(=O)CC2CC=CC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029113053	0	49	0.0	-62.99	358.34	4.40	-58.59
C[C@@H]1CN(C(=O)CC2CC=CC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029113053	1	49	0.0	-62.99	358.34	4.40	-58.59
C[C@@H](OCC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1	REAL300029113090	0	51	0.0	-66.50	382.95	3.81	-62.69
C[C@@H]1CN(C(=O)C2CC3CCC(C2)[NH+]3C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029113134	0	52	0.0	-73.48	368.76	4.29	-69.19
C[C@@H]1CN(C(=O)C2(C3(O)CC[NH+](C)CC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029113262	0	56	0.0	-72.90	400.06	2.64	-70.26
C[C@@H]1CN(C(=O)C2(CC[NH+]3CCCCC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029113291	0	58	0.0	-66.90	424.19	6.58	-60.32
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](C)C1)[NH+]1CCSCC1	REAL300029113317	1	49	0.0	-67.69	373.09	4.50	-63.19
CCC1C[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)C1	REAL300029113320	0	48	0.0	-69.28	364.56	4.11	-65.17
C[C@@H]1CN(C(=O)C2C[NH+](C3CCOCC3)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029113322	0	53	0.0	-72.28	398.70	3.65	-68.63
C[C@@H]1CN(C(=O)C2([NH+]3CCCC3)CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029113324	0	52	0.0	-63.09	366.83	4.69	-58.40
C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029113336	1	45	0.0	-70.39	337.82	3.26	-67.13
C[C@@H]1CN(C(=O)CC[N@H+]2CCC(F)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029113346	1	48	0.0	-72.51	370.88	4.51	-68.00
COC1C[N@@H+](C)C(C)(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)C1	REAL300029113357	1	52	0.0	-65.29	371.87	2.62	-62.67
C[C@@H]1CN(C(=O)CC[NH+]2CCCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029113371	0	54	0.0	-70.84	385.95	4.94	-65.90
C[C@@H]1CN(C(=O)C[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029113375	0	48	0.0	-68.32	357.67	4.42	-63.90
CC1C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)CC[N@@H+]1C	REAL300029113385	0	48	0.0	-67.40	356.60	3.74	-63.66
CC1C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)CC[N@H+]1C	REAL300029113385	1	48	0.0	-66.75	353.58	3.65	-63.10
C[C@@H]1CN(C(=O)CCC2CCCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029113388	0	54	0.0	-67.95	397.26	5.62	-62.33
C[C@@H]1CN(C(=O)CCC2CCCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029113388	1	54	0.0	-67.59	393.52	5.33	-62.26
C[C@@H]1CN(C(=O)C2CC[N@@H+]3CCOCC23)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029113433	0	50	0.0	-70.83	367.78	2.51	-68.32
C[C@@H]1CN(C(=O)C2CC[N@H+]3CCOCC23)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029113433	1	50	0.0	-70.82	367.95	2.53	-68.29
CC1=[NH+]C=C2C=CC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H](C)C3)=CN21	REAL300029113442	0	46	0.0	-63.47	368.27	5.51	-57.96
C[C@@H]1CN(C(=O)CC2COCCN2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029113465	0	49	0.0	-65.50	355.25	2.07	-63.43
C[C@@H]1CN(C(=O)CC2COCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029113465	1	49	0.0	-73.64	362.74	2.25	-71.39
C[C@@H]1CN(C(=O)CC2COCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029113465	1	49	0.0	-65.50	355.25	2.07	-63.43
CC1=C(C)[NH+]=C(CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)N1	REAL300029113479	1	49	0.0	-63.44	382.44	3.70	-59.74
C[C@@H]1CN(C(=O)C2=CC=CC(CC[NH+](C)C)=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029113492	0	54	0.0	-71.51	410.55	6.37	-65.14
C[C@@H]1CN(C(=O)C2CCN2CC2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029113497	0	52	0.0	-67.05	392.78	5.84	-61.21
C[C@@H]1CN(C(=O)C2CC[N@@H+]2CC2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029113497	1	52	0.0	-66.15	395.18	6.00	-60.15
C[C@@H]1CN(C(=O)C2CC[N@H+]2CC2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029113497	1	52	0.0	-67.05	392.78	5.84	-61.21
CC(C)C[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)C1	REAL300029113501	0	57	0.0	-69.93	413.36	6.02	-63.91
CC(C)C[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)C1	REAL300029113501	1	57	0.0	-67.59	414.14	6.03	-61.56
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@@H+]1C	REAL300029113660	0	45	0.0	-66.35	334.50	3.20	-63.15
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@H+]1C	REAL300029113660	1	45	0.0	-65.94	334.49	3.19	-62.75
CC1=[NH+]C=CN1CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029113855	1	49	0.0	-65.08	383.01	5.26	-59.82
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCC[NH+]1CCOCC1	REAL300029113859	1	55	0.0	-71.97	414.54	4.32	-67.65
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300029113863	0	51	0.0	-72.31	393.64	5.71	-66.60
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCOCC1	REAL300029113864	1	49	0.0	-72.63	371.56	2.76	-69.87
CCC[NH+](CCC)CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029113886	0	59	0.0	-69.27	438.63	6.86	-62.41
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300029113918	1	43	0.0	-70.38	343.77	5.71	-64.67
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCCC([NH+](C)C)C1	REAL300029113997	0	54	0.0	-67.30	387.74	5.00	-62.30
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC[N@H+](C)C1	REAL300029114004	0	48	0.0	-70.14	362.95	4.34	-65.80
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC[N@@H+](C)C1	REAL300029114004	1	48	0.0	-70.83	362.47	4.19	-66.64
CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+](C)C	REAL300029114021	0	47	0.0	-64.40	338.29	3.20	-61.20
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300029114031	1	46	0.0	-71.69	372.45	4.30	-67.39
CC1CC2CCC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C)C[N@@H+]2C1	REAL300029114081	0	55	0.0	-65.77	403.49	5.78	-59.99
CC1CC2CCC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C)C[N@H+]2C1	REAL300029114081	1	55	0.0	-60.73	390.61	5.63	-55.10
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCC[NH+](C)C	REAL300029114115	0	50	0.0	-70.01	381.64	4.86	-65.15
CCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029114138	0	50	0.0	-70.63	377.92	4.69	-65.94
CCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029114138	1	50	0.0	-70.01	373.82	4.37	-65.64
CCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029114143	0	47	0.0	-68.86	355.51	4.11	-64.75
CCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029114143	1	47	0.0	-68.83	355.51	4.08	-64.75
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C12CC[N@H+](C1)CCC2	REAL300029114168	0	49	0.0	-67.91	345.88	3.19	-64.72
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300029114168	1	49	0.0	-68.93	349.92	3.43	-65.50
CCCCCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029114212	0	56	0.0	-70.06	420.01	6.45	-63.61
CCCCCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029114212	1	56	0.0	-69.03	415.82	6.06	-62.97
CC1CC[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC1	REAL300029114265	0	51	0.0	-68.32	374.59	4.77	-63.55
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300029114293	1	46	0.0	-74.06	371.48	3.62	-70.44
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)COC1CC[NH+](C)CC1	REAL300029114301	0	52	0.0	-72.61	395.87	4.72	-67.89
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCCC[N@@H+]2C1	REAL300029114363	0	52	0.0	-66.25	380.84	5.22	-61.03
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCCC[N@H+]2C1	REAL300029114363	1	52	0.0	-64.88	375.20	4.90	-59.98
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1(C[NH+](C)C)CC1	REAL300029114382	0	48	0.0	-69.17	359.78	3.82	-65.35
CC1=[NH+]C=C2CCC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C)CN21	REAL300029114383	1	50	0.0	-61.41	380.99	5.06	-56.35
CC(C)[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC1	REAL300029114394	0	54	0.0	-68.31	393.49	5.37	-62.94
CC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029114429	0	47	0.0	-69.88	356.42	3.95	-65.93
CC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029114429	1	47	0.0	-69.95	356.42	3.95	-66.00
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300029114468	0	58	0.0	-66.97	417.84	6.34	-60.63
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300029114468	1	58	0.0	-71.51	413.66	6.09	-65.42
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[NH+]2CCC1CC2	REAL300029114485	0	49	0.0	-70.43	348.39	3.86	-66.57
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[NH+](C)CC1	REAL300029114576	0	48	0.0	-70.97	359.17	4.19	-66.78
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[NH+](CC2CC2)CC1	REAL300029114675	0	55	0.0	-69.80	403.54	5.96	-63.84
CC[NH+](CC)CC(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029114723	0	50	0.0	-72.08	378.22	4.48	-67.60
CC(C)C[N@@H+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029114759	0	54	0.0	-67.15	393.18	5.21	-61.94
CC(C)C[N@H+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029114759	1	54	0.0	-66.75	393.15	5.19	-61.56
CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+](CC)CC	REAL300029114792	0	53	0.0	-60.72	373.28	4.56	-56.16
CC1CCC[N@@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029114818	0	48	0.0	-64.46	350.69	3.70	-60.76
CC1CCC[N@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029114818	1	48	0.0	-65.60	361.18	4.36	-61.24
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029114916	1	52	0.0	-62.21	401.74	5.88	-56.33
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+]1CCCCCC1	REAL300029114920	0	54	0.0	-63.38	381.26	4.83	-58.55
CC(C)[N@@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029114954	0	51	0.0	-63.23	362.84	4.72	-58.51
CC(C)[N@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029114954	1	51	0.0	-62.58	362.32	4.63	-57.95
CC(C)[N@@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029114967	0	54	0.0	-65.36	384.35	4.64	-60.72
CC(C)[N@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029114967	1	54	0.0	-70.52	381.67	4.55	-65.97
CC1CC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029115024	0	48	0.0	-72.66	362.17	4.31	-68.35
CC1CC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029115024	1	48	0.0	-67.92	361.61	4.43	-63.49
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1(F)CC[N@@H+](C(C)(C)C)C1	REAL300029115025	0	54	0.0	-66.79	388.93	4.45	-62.34
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1(F)CC[N@H+](C(C)(C)C)C1	REAL300029115025	1	54	0.0	-62.69	388.72	4.45	-58.24
CC1=[NH+]C=C2CC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C)CCN21	REAL300029115026	1	50	0.0	-63.98	384.85	5.24	-58.74
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300029115028	0	54	0.0	-72.92	416.15	6.55	-66.37
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300029115030	0	51	0.0	-67.10	376.99	4.56	-62.54
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1	REAL300029115030	1	51	0.0	-67.40	377.41	4.60	-62.80
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)CC(C)(C)C	REAL300029115031	0	53	0.0	-67.18	382.00	4.84	-62.34
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C	REAL300029115031	1	53	0.0	-68.57	383.48	5.06	-63.51
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300029115032	0	54	0.0	-73.18	415.42	7.13	-66.05
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300029115032	1	54	0.0	-72.24	411.23	6.74	-65.50
CC[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+](C)C	REAL300029115041	0	47	0.0	-65.89	344.79	3.64	-62.25
CC(COCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+]1CCCC1	REAL300029115048	0	55	0.0	-65.73	414.20	5.39	-60.34
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCN(C)C1=CC=[NH+]C=C1	REAL300029115215	0	50	0.0	-64.60	391.01	4.38	-60.22
CC1=[NH+]C=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029115333	1	43	0.0	-64.23	341.39	3.91	-60.32
CC(C[NH+]1CCOCC1)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029115335	1	52	0.0	-70.49	384.88	3.05	-67.44
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC[NH+]1CCCCC1	REAL300029115353	0	54	0.0	-69.16	401.78	5.97	-63.19
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300029115373	1	47	0.0	-74.15	367.10	3.57	-70.58
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C=CC2=C[NH+]=CN21	REAL300029115375	0	46	0.0	-67.11	365.32	6.20	-60.91
CC(C)C1=[NH+]C=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029115435	1	49	0.0	-62.63	377.65	5.04	-57.59
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300029115490	0	52	0.0	-65.25	375.19	5.07	-60.18
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCCC2CCC[N@H+]21	REAL300029115490	1	52	0.0	-60.95	378.43	5.15	-55.80
CC[N@@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029115531	1	49	0.0	-67.96	359.33	3.27	-64.69
CC[N@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029115531	1	49	0.0	-79.27	364.41	3.38	-75.89
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300029115605	0	43	0.0	-72.56	342.82	5.62	-66.94
CC1=C[NH+]=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029115610	1	43	0.0	-66.67	341.75	4.65	-62.02
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300029115616	0	51	0.0	-74.53	396.49	3.68	-70.85
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300029115630	0	51	0.0	-72.11	397.45	4.37	-67.74
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC[N@@H+]1C	REAL300029115637	0	48	0.0	-69.07	347.73	3.29	-65.78
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC[N@H+]1C	REAL300029115637	1	48	0.0	-68.34	351.47	4.06	-64.28
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029115640	1	52	0.0	-62.55	402.23	5.95	-56.60
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC[N@@H+]1C	REAL300029115643	0	51	0.0	-68.97	373.91	4.27	-64.70
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC[N@H+]1C	REAL300029115643	1	51	0.0	-67.60	370.72	4.20	-63.40
CC1CCC(C)[NH+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029115666	0	51	0.0	-66.07	363.52	4.15	-61.92
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC[NH+]1CCCC1	REAL300029115676	0	51	0.0	-68.78	385.09	5.20	-63.58
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300029115677	0	51	0.0	-69.20	390.83	5.57	-63.63
C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC1	REAL300029115686	0	50	0.0	-72.50	383.85	5.33	-67.17
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCCCC1	REAL300029115687	0	51	0.0	-69.28	380.28	5.16	-64.12
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1C=[NH+]C2=C1CCCC2	REAL300029115709	1	50	0.0	-65.57	383.62	6.37	-59.20
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1(C[NH+](C)C)CCCCC1	REAL300029115744	0	57	0.0	-66.75	392.01	5.35	-61.40
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@H+](C)C1CCCCC1	REAL300029115748	0	57	0.0	-70.41	414.69	6.32	-64.09
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@@H+](C)C1CCCCC1	REAL300029115748	1	57	0.0	-70.42	414.69	6.32	-64.10
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1([NH+](C)C)CCCC1	REAL300029115751	0	54	0.0	-69.37	375.84	4.81	-64.56
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1	REAL300029115766	1	52	0.0	-72.13	391.72	3.42	-68.71
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NNC(C2CCC[N@H+]2C)=C1	REAL300029115766	1	52	0.0	-71.95	394.89	3.73	-68.22
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)C1CCC1	REAL300029115995	0	48	0.0	-65.76	358.22	4.28	-61.48
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)C1CCC1	REAL300029115995	1	48	0.0	-65.74	358.22	4.30	-61.44
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+]1C(C)CCC1C	REAL300029116029	0	54	0.0	-61.84	386.16	4.79	-57.05
CC[NH+](CC)CC1=CC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)O1	REAL300029116046	0	54	0.0	-65.91	413.06	5.71	-60.20
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCC[NH+]1CCCC1	REAL300029116051	0	54	0.0	-68.62	407.61	6.03	-62.59
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300029116054	1	51	0.0	-72.78	392.99	6.27	-66.51
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300029116054	1	51	0.0	-72.80	392.94	6.27	-66.53
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[NH+](C)CC1	REAL300029116070	0	48	0.0	-70.97	359.17	4.19	-66.78
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CCC[N@@H+]1C	REAL300029116131	0	45	0.0	-64.17	339.98	3.39	-60.78
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CCC[N@H+]1C	REAL300029116131	1	45	0.0	-71.21	331.03	2.81	-68.40
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1CCC[N@@H+]1C	REAL300029116160	0	51	0.0	-69.76	383.70	5.20	-64.56
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1CCC[N@H+]1C	REAL300029116160	1	51	0.0	-67.54	373.76	4.37	-63.17
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300029116177	0	52	0.0	-61.09	377.37	5.18	-55.91
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC2CCCC[N@H+]21	REAL300029116177	1	52	0.0	-61.40	376.47	5.12	-56.28
CCC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029116272	0	54	0.0	-62.31	386.09	5.42	-56.89
CCC[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029116272	1	54	0.0	-62.69	386.29	5.32	-57.37
CC(C)[N@@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029116289	1	52	0.0	-69.88	383.73	4.07	-65.81
CC(C)[N@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029116289	1	52	0.0	-70.30	382.51	3.93	-66.37
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCC(CO)CC1	REAL300029116376	0	52	0.0	-69.36	385.47	1.43	-67.93
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=C1CC2CCC(C1)[NH+]2C	REAL300029116424	0	53	0.0	-66.89	383.67	5.13	-61.76
CC1C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC[N@@H+]1C	REAL300029116443	0	48	0.0	-67.41	351.65	3.56	-63.85
CC1C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC[N@H+]1C	REAL300029116443	1	48	0.0	-65.51	354.61	3.64	-61.87
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1CCCC[N@@H+]1C	REAL300029116447	0	54	0.0	-66.72	393.34	5.35	-61.37
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1CCCC[N@H+]1C	REAL300029116447	1	54	0.0	-67.47	397.25	5.49	-61.98
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=C(CCC2)[NH+]=C1N	REAL300029116484	1	48	0.0	-58.67	372.47	3.32	-55.35
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300029116563	0	51	0.0	-67.96	373.93	4.08	-63.88
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@H+]1C(C)(C)C	REAL300029116563	1	51	0.0	-63.88	355.13	3.45	-60.43
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300029116583	0	51	0.0	-70.30	391.42	3.06	-67.24
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+](C)C	REAL300029116589	0	44	0.0	-66.52	331.07	2.88	-63.64
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=NC(C[NH+](C)C)=C1	REAL300029116610	1	50	0.0	-70.89	385.90	4.03	-66.86
C=CCC(C)(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+](C)C	REAL300029116616	0	51	0.0	-64.75	358.50	3.79	-60.96
CC[NH+](CC)CCSCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029116654	0	54	0.0	-69.18	410.30	5.48	-63.70
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C(N)C2=CC=CC=C2[NH+]=C1	REAL300029116655	1	47	0.0	-59.96	370.23	2.69	-57.27
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCCC1	REAL300029116660	0	48	0.0	-69.32	364.61	4.46	-64.86
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)CCO	REAL300029116669	1	45	0.0	-69.24	344.37	0.12	-69.12
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)CCO	REAL300029116669	1	45	0.0	-68.60	344.49	0.06	-68.54
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@@H+]2CCN1CCC2	REAL300029116712	0	51	0.0	-71.44	362.38	1.91	-69.53
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@H+]2CCN1CCC2	REAL300029116712	1	51	0.0	-71.79	354.85	1.68	-70.11
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+]1CCSCC1	REAL300029116751	1	49	0.0	-68.14	371.90	4.43	-63.71
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC[N@H+](C)CC1	REAL300029116800	0	49	0.0	-68.26	375.43	5.04	-63.22
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC[N@@H+](C)CC1	REAL300029116800	1	49	0.0	-66.57	371.23	4.65	-61.92
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC(=O)N(C2C[NH+](C)C2)C1	REAL300029116811	1	53	0.0	-74.07	401.26	3.18	-70.89
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(O)CC[S+](C)C	REAL300029116819	0	47	0.0	-75.30	374.28	1.88	-73.42
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CN(C)CC[N@H+](C)C1	REAL300029116867	0	53	0.0	-65.76	378.34	2.35	-63.41
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CN(C)CC[N@@H+](C)C1	REAL300029116867	1	53	0.0	-65.59	378.92	2.26	-63.33
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[N@@H+]1CCCC(O)C1	REAL300029116868	0	52	0.0	-64.39	378.59	1.40	-62.99
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[N@H+]1CCCC(O)C1	REAL300029116868	1	52	0.0	-66.30	384.47	1.45	-64.85
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1(O)CCC[N@H+](C)C1	REAL300029116912	0	52	0.0	-67.36	382.07	2.42	-64.94
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1(O)CCC[N@@H+](C)C1	REAL300029116912	1	52	0.0	-71.13	379.51	2.61	-68.52
CC1C[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029116918	1	45	0.0	-68.45	347.24	3.63	-64.82
CC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029116925	0	51	0.0	-72.30	373.08	4.58	-67.72
CC[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029116925	1	51	0.0	-66.05	365.38	4.69	-61.36
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC=C[NH+]=C1N	REAL300029116941	0	44	0.0	-64.57	346.25	2.19	-62.38
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@@H+]1C1CC1	REAL300029116953	0	49	0.0	-64.51	362.59	4.33	-60.18
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@H+]1C1CC1	REAL300029116953	1	49	0.0	-61.88	368.72	4.73	-57.15
CC1C[N@@H+](C2CCC2C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CCO1	REAL300029116983	0	56	0.0	-62.42	396.84	4.32	-58.10
CC1C[N@H+](C2CCC2C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CCO1	REAL300029116983	1	56	0.0	-68.67	419.52	4.55	-64.12
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C[NH+]2CCCC2)O1	REAL300029117004	0	52	0.0	-67.03	402.32	5.39	-61.64
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=CC[NH+]1CCCC1	REAL300029117011	0	49	0.0	-69.45	371.99	4.71	-64.74
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300029117042	0	52	0.0	-67.80	386.71	5.41	-62.39
CC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029117093	0	44	0.0	-67.77	329.73	2.99	-64.78
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1CC2C=CC1C2	REAL300029117167	0	47	0.0	-64.46	350.82	4.18	-60.28
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CC2C=CC1C2	REAL300029117167	1	47	0.0	-65.81	351.69	4.33	-61.48
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+]1CC2C=CC1C2	REAL300029117167	1	47	0.0	-65.81	351.69	4.33	-61.48
CC1=CC=C(NCCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)N=C1	REAL300029117191	0	50	0.0	-63.96	394.78	3.99	-59.97
CC1=CC=C(NCCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)[NH+]=C1	REAL300029117191	1	50	0.0	-63.96	394.78	3.99	-59.97
CC(OCC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029117348	0	51	0.0	-65.59	383.76	3.76	-61.83
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCOCC[NH+](C)C	REAL300029117361	0	51	0.0	-66.42	388.86	3.10	-63.32
COCCN(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029117363	0	48	0.0	-67.58	362.08	2.11	-65.47
COCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029117363	1	48	0.0	-69.39	366.61	2.51	-66.88
COCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029117363	1	48	0.0	-69.39	366.61	2.51	-66.88
CC(CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+](C)C	REAL300029117372	0	50	0.0	-67.53	369.30	4.04	-63.49
CC[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)C1CC1	REAL300029117414	0	48	0.0	-65.53	361.61	4.59	-60.94
CC1C[N@H+]2CCN1C(C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]1C)C2	REAL300029117425	0	51	0.0	-78.77	363.64	1.22	-77.55
CC1=NC(N)=CC=C1C=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029117475	0	48	0.0	-70.26	375.87	2.99	-67.27
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029117475	1	48	0.0	-70.26	375.87	2.99	-67.27
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C=NN1CC[NH+](C)C	REAL300029117481	0	54	0.0	-73.55	414.13	4.16	-69.39
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CC2CCC1C2	REAL300029117484	0	49	0.0	-64.77	356.62	4.27	-60.50
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+]1CC2CCC1C2	REAL300029117484	1	49	0.0	-64.77	356.62	4.27	-60.50
CC(C)[NH+]1CCC(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC1	REAL300029117503	0	57	0.0	-64.73	409.68	5.97	-58.76
CC(C[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029117518	0	47	0.0	-71.41	354.14	3.72	-67.69
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300029117531	0	48	0.0	-74.76	372.22	3.88	-70.88
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300029117531	1	48	0.0	-74.76	372.22	3.88	-70.88
CCN1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029117575	0	45	0.0	-71.11	342.46	3.28	-67.83
CC[N@@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029117575	1	45	0.0	-66.70	346.85	3.64	-63.06
CC[N@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029117575	1	45	0.0	-66.70	346.85	3.64	-63.06
CC(C)[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029117593	0	54	0.0	-61.40	381.28	5.10	-56.30
CC(C)[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029117593	1	54	0.0	-61.40	381.28	5.10	-56.30
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCN(C2=NC=CN2C)C1	REAL300029117595	0	52	0.0	-61.75	398.83	5.05	-56.70
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCN(C2=[NH+]C=CN2C)C1	REAL300029117595	1	52	0.0	-61.75	398.83	5.05	-56.70
CCC(C)(C)[NH2+]C(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029117617	0	53	0.0	-65.31	381.35	3.12	-62.19
C#CCN1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029117674	0	50	0.0	-64.26	369.92	4.83	-59.43
C#CC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029117674	1	50	0.0	-64.40	366.40	4.60	-59.80
C#CC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029117674	1	50	0.0	-64.40	366.40	4.60	-59.80
CNC1=NC(C)=CC=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029117677	0	47	0.0	-59.48	366.91	3.31	-56.17
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029117677	1	47	0.0	-59.48	366.91	3.31	-56.17
CCCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+](C)C	REAL300029117694	0	50	0.0	-65.09	360.87	3.95	-61.14
CC(CC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029117729	0	50	0.0	-74.33	370.17	4.09	-70.24
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300029117791	0	55	0.0	-64.74	383.69	5.55	-59.19
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300029117791	1	55	0.0	-64.74	383.69	5.55	-59.19
COCCCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029117874	0	57	0.0	-73.70	428.99	4.22	-69.48
COCCCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029117874	1	57	0.0	-74.28	433.09	4.54	-69.74
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C12CCC([NH+](C)C)(CC1)CC2	REAL300029117880	0	58	0.0	-69.09	393.15	5.05	-64.04
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300029117887	0	51	0.0	-65.77	374.75	4.15	-61.62
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC(C)(C)C[N@H+]1C	REAL300029117887	1	51	0.0	-65.23	370.19	3.99	-61.24
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCCC[NH+](C)C	REAL300029117893	0	53	0.0	-69.31	403.14	5.65	-63.66
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCC(O)CC1	REAL300029117899	0	52	0.0	-72.42	387.09	1.46	-70.96
CCC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029117904	0	54	0.0	-62.05	390.92	5.27	-56.78
CCC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029117904	1	54	0.0	-68.51	383.92	4.88	-63.63
CC[NH+]1CCN(CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC1	REAL300029117913	0	56	0.0	-67.33	410.64	2.97	-64.36
CCN1CC[NH+](CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC1	REAL300029117913	1	56	0.0	-70.60	413.73	3.26	-67.34
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1CC[NH+](C)CC1	REAL300029117917	1	50	0.0	-71.37	371.06	1.78	-69.59
CC(C)C[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC1	REAL300029118058	0	57	0.0	-70.42	416.21	6.25	-64.17
CC1C[N@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)O1	REAL300029118062	1	49	0.0	-68.55	363.36	3.47	-65.08
CC1C[N@@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)O1	REAL300029118062	1	49	0.0	-75.01	362.47	3.22	-71.79
CCC1CCC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029118104	0	54	0.0	-68.55	397.22	5.80	-62.75
CCC1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029118104	1	54	0.0	-67.90	386.01	5.38	-62.52
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C[NH+](C)C)N1	REAL300029118115	0	49	0.0	-79.24	378.43	4.38	-74.86
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CC2CC2C1	REAL300029118138	0	46	0.0	-68.22	351.65	4.42	-63.80
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1([NH+]2CCCC2)CC1	REAL300029118160	0	52	0.0	-65.20	382.40	5.48	-59.72
CC([NH2+]C1(CO)CCCC1)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029118180	0	55	0.0	-73.73	378.23	-0.25	-73.98
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCCC[N@@H+]1C	REAL300029118215	0	48	0.0	-63.97	357.28	4.22	-59.75
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCCC[N@H+]1C	REAL300029118215	1	48	0.0	-65.39	341.21	3.42	-61.97
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300029118222	1	52	0.0	-74.85	403.08	6.26	-68.59
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@H+]1CC1=CC=CC=C1	REAL300029118222	1	52	0.0	-70.50	407.33	6.61	-63.89
CC(C)C[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029118229	0	57	0.0	-62.39	403.28	6.09	-56.30
CC(C)C[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029118229	1	57	0.0	-66.21	408.19	5.79	-60.42
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1CCC([NH+](C)C)CC1	REAL300029118295	0	56	0.0	-70.80	406.04	3.09	-67.71
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=C1CC[N@H+](C)C1	REAL300029118371	0	46	0.0	-71.77	353.74	4.11	-67.66
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=C1CC[N@@H+](C)C1	REAL300029118371	1	46	0.0	-71.31	348.89	3.85	-67.46
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CNC1=CC=[NH+]C=C1	REAL300029118379	0	44	0.0	-66.08	347.71	1.60	-64.48
CC[NH+]1CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC1	REAL300029118447	0	53	0.0	-70.33	388.31	2.42	-67.91
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=C1C[NH+]2CCC1CC2	REAL300029118450	0	50	0.0	-66.08	367.00	4.69	-61.39
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300029118513	0	52	0.0	-66.69	387.49	1.96	-64.73
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O	REAL300029118513	1	52	0.0	-69.20	382.92	1.49	-67.71
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[NH+](C2CCOCC2)C1	REAL300029118522	0	53	0.0	-72.63	394.22	3.24	-69.39
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@@H]1CCC[N@@H+]1C	REAL300029118539	0	45	0.0	-64.85	330.46	2.79	-62.06
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@@H]1CCC[N@H+]1C	REAL300029118539	1	45	0.0	-64.04	336.68	3.25	-60.79
CCN1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029118579	0	52	0.0	-68.68	375.78	2.73	-65.95
CC[N@@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029118579	1	52	0.0	-68.99	375.96	2.75	-66.24
CC[N@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029118579	1	52	0.0	-68.99	375.96	2.75	-66.24
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)NC2=C1CCC[NH2+]2	REAL300029118586	0	49	0.0	-87.63	383.48	2.00	-85.63
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[NH+](C2CCCCC2)C1	REAL300029118609	0	55	0.0	-70.26	407.95	5.93	-64.33
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C2NC(N)=NC2=C1	REAL300029118691	0	45	0.0	-65.63	357.72	3.46	-62.17
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C2NC(N)=[NH+]C2=C1	REAL300029118691	1	45	0.0	-65.63	357.72	3.46	-62.17
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300029118744	0	48	0.0	-68.84	365.22	4.40	-64.44
CC1CCCC(C)[NH+]1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029118759	0	57	0.0	-65.07	409.53	5.81	-59.26
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC([NH+](C)C)CC1	REAL300029118762	0	54	0.0	-70.42	393.50	5.32	-65.10
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300029118766	0	54	0.0	-64.88	378.76	4.65	-60.23
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC=CC[N@@H+]1C	REAL300029118767	0	49	0.0	-63.39	358.41	4.42	-58.97
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC=CC[N@H+]1C	REAL300029118767	1	49	0.0	-63.61	362.53	4.72	-58.89
CC1=CC(C=CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)=C[NH+]=C1N	REAL300029118838	1	48	0.0	-73.27	376.06	3.29	-69.98
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)COCC[NH+](C)C	REAL300029118854	0	48	0.0	-67.23	367.89	3.27	-63.96
CCCCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029118862	0	56	0.0	-70.87	416.82	5.93	-64.94
CCCCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029118862	1	56	0.0	-71.56	420.87	6.25	-65.31
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300029118876	0	52	0.0	-68.01	391.70	4.56	-63.45
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1C=CSC1=[NH2+]	REAL300029118903	0	41	0.0	-63.19	339.06	2.50	-60.69
C[C@@H](OCC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029119002	0	51	0.0	-65.31	383.75	3.80	-61.51
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1(C2(O)CC[NH+](C)CC2)CC1	REAL300029119006	0	56	0.0	-68.63	396.37	2.42	-66.21
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCCCCC1	REAL300029119082	0	54	0.0	-70.98	390.29	5.35	-65.63
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@H+](C)C1	REAL300029119090	0	48	0.0	-66.34	352.10	4.25	-62.09
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@@H+](C)C1	REAL300029119090	1	48	0.0	-66.34	352.10	4.25	-62.09
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCCCCC1	REAL300029119098	0	51	0.0	-67.44	363.30	4.40	-63.04
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N+]1=CN(C)C=C1	REAL300029119105	0	43	0.0	-65.20	343.23	5.83	-59.37
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(CN(C)C)O1	REAL300029119126	0	48	0.0	-68.81	377.32	4.28	-64.53
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300029119126	1	48	0.0	-68.81	377.32	4.28	-64.53
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)C1CC1	REAL300029119159	0	45	0.0	-65.49	345.20	3.94	-61.55
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)N1CCN(C)CC1	REAL300029119161	0	53	0.0	-71.49	388.10	2.25	-69.24
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)N1CC[NH+](C)CC1	REAL300029119161	1	53	0.0	-71.49	388.10	2.25	-69.24
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@@H+]1CCC(F)C1	REAL300029119169	0	48	0.0	-71.60	370.68	4.51	-67.09
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300029119203	0	54	0.0	-73.31	412.62	6.33	-66.98
CC(CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)C[NH+](C)C	REAL300029119209	0	50	0.0	-73.80	369.34	4.33	-69.47
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@@H+]2CCOCC12	REAL300029119234	0	50	0.0	-70.94	363.50	2.43	-68.51
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@H+]2CCOCC12	REAL300029119234	1	50	0.0	-70.94	363.50	2.43	-68.51
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1COCCN1C	REAL300029119268	0	49	0.0	-73.54	366.18	2.41	-71.13
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1COCC[N@@H+]1C	REAL300029119268	1	49	0.0	-72.63	362.89	2.24	-70.39
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1COCC[N@H+]1C	REAL300029119268	1	49	0.0	-72.63	362.89	2.24	-70.39
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(C[NH+](C)C)C1=CC=CC=C1	REAL300029119277	0	54	0.0	-67.02	408.19	6.39	-60.63
CC1=CC(N)=NC=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029119348	0	44	0.0	-63.74	343.69	1.70	-62.04
CC1=CC(N)=[NH+]C=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029119348	1	44	0.0	-63.74	343.69	1.70	-62.04
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300029119412	0	49	0.0	-68.73	372.85	1.10	-67.63
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=NN1CC[NH+](C)C	REAL300029119422	0	51	0.0	-66.08	392.35	3.75	-62.33
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1C[NH+](C)C1	REAL300029119458	0	45	0.0	-69.89	347.18	3.41	-66.48
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@@H+]1C1CCCC1	REAL300029119464	0	52	0.0	-66.92	382.24	5.02	-61.90
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@H+]1C1CCCC1	REAL300029119464	1	52	0.0	-66.92	382.24	5.02	-61.90
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@H+](C)CCO	REAL300029119519	0	48	0.0	-68.76	362.60	0.40	-68.36
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@@H+](C)CCO	REAL300029119519	1	48	0.0	-68.76	362.60	0.40	-68.36
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CCCC[N@@H+]1C	REAL300029119542	0	51	0.0	-62.22	363.75	4.42	-57.80
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CCCC[N@H+]1C	REAL300029119542	1	51	0.0	-62.22	363.75	4.42	-57.80
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C)C=CN2C=N1	REAL300029119570	0	46	0.0	-68.05	365.69	6.26	-61.79
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C)C=CN2C=[NH+]1	REAL300029119570	1	46	0.0	-68.05	365.69	6.26	-61.79
CC1CCN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029119576	0	45	0.0	-66.89	347.25	3.62	-63.27
CC1CC[N@@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029119576	1	45	0.0	-70.09	337.72	3.08	-67.01
CC1CC[N@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029119576	1	45	0.0	-70.09	337.72	3.08	-67.01
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=CC[NH+](C)C	REAL300029119592	0	45	0.0	-70.88	347.04	3.59	-67.29
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1CC(C)(C)C1	REAL300029119609	0	48	0.0	-68.35	366.58	4.15	-64.20
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CC(C)(C)C1	REAL300029119609	1	48	0.0	-68.35	366.58	4.15	-64.20
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCC[NH+]1CCCCC1	REAL300029119624	0	57	0.0	-68.80	423.28	6.72	-62.08
CC1=C(C)NC(CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)=N1	REAL300029119639	0	49	0.0	-62.69	382.24	3.66	-59.03
CC1=C(C)[NH+]=C(CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)N1	REAL300029119639	1	49	0.0	-62.69	382.24	3.66	-59.03
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=C(CN(C)CC2)S1	REAL300029119640	0	49	0.0	-70.42	382.76	5.04	-65.38
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=C(C[N@H+](C)CC2)S1	REAL300029119640	1	49	0.0	-71.45	388.88	5.42	-66.03
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=C(C[N@@H+](C)CC2)S1	REAL300029119640	1	49	0.0	-71.45	388.88	5.42	-66.03
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1(C2CC[NH+](C)CC2)CC1	REAL300029119651	0	55	0.0	-65.72	394.14	5.33	-60.39
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C)C=CN2C=N1	REAL300029119661	0	46	0.0	-68.05	365.69	6.26	-61.79
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C)C=CN2C=[NH+]1	REAL300029119661	1	46	0.0	-68.05	365.69	6.26	-61.79
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CSCC[NH+](C)C	REAL300029119675	0	48	0.0	-71.10	378.91	4.33	-66.77
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[N@H+](C)CC1=CC=CC=C1	REAL300029119695	0	54	0.0	-67.39	408.63	6.49	-60.90
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=C(CCCC2)N=C1N	REAL300029119699	0	51	0.0	-58.19	389.34	3.98	-54.21
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=C(CCCC2)[NH+]=C1N	REAL300029119699	1	51	0.0	-58.19	389.34	3.98	-54.21
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CCCC1CO	REAL300029119707	0	49	0.0	-66.28	366.29	0.84	-65.44
CC[NH+](CC)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029119710	0	47	0.0	-66.16	347.82	3.68	-62.48
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)C1CCSC1	REAL300029119727	0	49	0.0	-73.75	375.86	4.88	-68.87
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1CCC1	REAL300029119729	0	42	0.0	-72.91	322.37	2.78	-70.13
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCC1	REAL300029119729	1	42	0.0	-72.91	322.37	2.78	-70.13
CC[NH+](CC)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029119779	0	50	0.0	-69.07	369.95	4.37	-64.70
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(C[NH+](C)C)=CN1	REAL300029119853	0	49	0.0	-69.42	378.87	4.12	-65.30
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+]1CCC(O)CC1	REAL300029119874	0	52	0.0	-72.03	379.43	1.11	-70.92
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2COCC[N@@H+]2C1	REAL300029119881	0	50	0.0	-66.76	367.47	2.61	-64.15
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2COCC[N@H+]2C1	REAL300029119881	1	50	0.0	-71.72	366.44	2.59	-69.13
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+]1CCC1	REAL300029119899	0	45	0.0	-64.59	335.30	3.03	-61.56
CCC(CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)C[NH+](C)C	REAL300029119912	0	53	0.0	-71.43	386.77	5.03	-66.40
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=CC1=CC=C(N)[NH+]=C1	REAL300029119919	0	45	0.0	-68.92	362.18	2.76	-66.16
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC(C1=CC=CC=C1)[NH+](C)C	REAL300029119958	0	54	0.0	-72.87	405.71	6.68	-66.19
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CCCC[N@@H+]1C	REAL300029119994	0	48	0.0	-63.45	352.47	3.85	-59.60
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CCCC[N@H+]1C	REAL300029119994	1	48	0.0	-66.24	348.28	3.85	-62.39
CC1CN2CC[N@H+]1CC2C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029120009	0	51	0.0	-68.06	361.23	0.94	-67.12
CC1CN2CC[N@@H+]1CC2C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029120009	1	51	0.0	-68.87	365.33	1.16	-67.71
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC(O)C[NH+](C)C	REAL300029120039	0	48	0.0	-73.03	369.00	1.74	-71.29
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCC(C1)[NH+]2C	REAL300029120042	0	52	0.0	-72.82	370.06	4.47	-68.35
C#CC1(O)CC[NH+](C(C)C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC1	REAL300029120082	0	54	0.0	-67.25	400.42	2.09	-65.16
C=CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+](C)C	REAL300029120094	0	48	0.0	-64.72	351.73	3.72	-61.00
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCCC[N@@H+]2C1	REAL300029120107	0	52	0.0	-66.25	380.84	5.22	-61.03
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCCC[N@H+]2C1	REAL300029120107	1	52	0.0	-64.88	375.20	4.90	-59.98
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1(O)CC[NH+](C)CC1	REAL300029120126	0	52	0.0	-69.85	386.30	2.84	-67.01
COCC[N@@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029120144	0	55	0.0	-68.43	405.15	3.94	-64.49
COCC[N@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029120144	1	55	0.0	-66.79	414.53	4.03	-62.76
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC2CCC(C1)[NH+]2C	REAL300029120154	0	55	0.0	-66.02	390.86	5.29	-60.73
C[C@@H]1CN(C(=O)C2=CC=NN2CC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029120196	0	51	0.0	-66.19	392.98	3.77	-62.42
C[C@@H]1CN(C(=O)C2=CC3=C(C[N@H+](C)CC3)S2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029120238	1	49	0.0	-71.23	387.19	5.31	-65.92
C[C@@H]1CN(C(=O)C2=CC3=C(C[N@@H+](C)CC3)S2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029120238	1	49	0.0	-71.61	388.87	5.43	-66.18
C[C@@H]1CN(C(=O)C2(C3CC[NH+](C)CC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029120250	0	55	0.0	-68.93	399.13	5.41	-63.52
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H](C)C3)C=CN2C=[NH+]1	REAL300029120263	1	46	0.0	-67.28	368.90	6.33	-60.95
C[C@@H]1CN(C(=O)CSCC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029120278	0	48	0.0	-72.19	382.91	4.56	-67.63
C[C@@H]1CN(C(=O)C2CC3COCC[N@@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029120290	0	50	0.0	-69.87	371.93	2.85	-67.02
C[C@@H]1CN(C(=O)C2CC3COCC[N@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029120290	1	50	0.0	-70.12	370.85	2.78	-67.34
C[N@@H+]1CCCC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029120455	0	52	0.0	-71.19	364.46	5.18	-66.01
C[N@H+]1CCCC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029120455	1	52	0.0	-69.06	368.72	5.61	-63.45
CC(C)[N@@H+]1CCCC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029120635	0	58	0.0	-67.26	403.59	6.74	-60.52
CC(C)[N@H+]1CCCC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029120635	1	58	0.0	-66.95	398.92	6.48	-60.47
CC1=[NH+]C=CN1CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029120668	1	50	0.0	-71.31	374.78	6.50	-64.81
O=C(C1=CC(=O)[N-]O1)N1CCC2CCCC(C1)N2C(=O)C1C[NH+]2CCC1CC2	REAL300029120696	0	56	0.0	-75.73	382.30	6.16	-69.57
C[C@@H]1[C@H](C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)CC[N@@H+]1C	REAL300029120730	0	55	0.0	-73.33	378.31	5.76	-67.57
C[C@@H]1[C@H](C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)CC[N@H+]1C	REAL300029120730	1	55	0.0	-73.74	387.02	5.87	-67.87
CC[C@@H]1[C@@H](C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)CC[N@@H+]1C	REAL300029120732	0	58	0.0	-72.97	397.90	6.18	-66.79
CC[C@@H]1[C@@H](C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)CC[N@H+]1C	REAL300029120732	1	58	0.0	-72.75	401.83	6.43	-66.32
CC[N@@H+]1CCOC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029120739	1	56	0.0	-71.91	388.45	5.33	-66.58
CC[N@H+]1CCOC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029120739	1	56	0.0	-72.32	387.49	5.29	-67.03
CC[NH+](CC)CC(F)C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029120767	0	57	0.0	-78.01	406.04	6.69	-71.32
CC1CCC(C)[NH+]1CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029120803	0	58	0.0	-69.17	402.61	6.63	-62.54
O=C(CCC[NH+]1CCCC1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029120806	0	58	0.0	-72.48	415.34	7.21	-65.27
O=C(CC[NH+]1CCCCC1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029120809	0	58	0.0	-73.65	409.51	7.11	-66.54
CC[N@@H+]1CCCCC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029120812	0	58	0.0	-66.72	403.10	6.83	-59.89
CC[N@H+]1CCCCC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029120812	1	58	0.0	-68.11	390.75	6.31	-61.80
C[NH+](C)C1(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)CCC1	REAL300029120823	0	55	0.0	-70.60	365.96	5.21	-65.39
CC(C)[C@@H](C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029120830	0	57	0.0	-67.93	381.21	5.91	-62.02
C[N@H+](CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CCC1	REAL300029120855	0	55	0.0	-72.72	391.19	6.81	-65.91
C[N@@H+](CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CCC1	REAL300029120855	1	55	0.0	-70.82	392.39	6.64	-64.18
C#CC[N@H+]1CCC[C@H]1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029120931	1	54	0.0	-68.48	390.88	6.44	-62.04
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029120931	1	54	0.0	-69.54	394.02	6.74	-62.80
C[N@@H+]1CCCC1CCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029120936	0	58	0.0	-74.24	410.21	6.98	-67.26
C[N@H+]1CCCC1CCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029120936	1	58	0.0	-67.44	405.89	6.57	-60.87
C[NH+]1CCC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300029120956	0	55	0.0	-75.08	389.87	6.21	-68.87
C[N@@H+]1CCCCC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029120995	0	55	0.0	-69.78	372.85	5.66	-64.12
C[N@H+]1CCCCC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029120995	1	55	0.0	-67.56	386.04	6.25	-61.31
O=C(C1=CN2C=[NH+]C=C2C=C1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029121065	0	50	0.0	-73.90	373.46	7.78	-66.12
O=C(CC[NH+]1CCOCC1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029121072	1	56	0.0	-77.18	400.79	4.68	-72.50
CC1=C[NH+]=CN1CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029121085	1	50	0.0	-75.30	375.32	7.22	-68.08
O=C(C1=CC(=O)[N-]O1)N1CCC2CCCC(C1)N2C(=O)C12CCC[NH+]1CCC2	REAL300029121106	0	56	0.0	-65.82	378.85	5.81	-60.01
C[N@@H+]1CCC(CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029121117	0	55	0.0	-73.77	392.31	6.23	-67.54
C[N@H+]1CCC(CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029121117	1	55	0.0	-74.13	392.10	6.33	-67.80
CN(C)C1=CC=[NH+]C=C1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029121123	0	54	0.0	-83.15	391.49	4.42	-78.73
CCC(C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029121125	0	54	0.0	-71.57	372.81	5.69	-65.88
O=C(C1=CC2=C[NH+]=CN2C=C1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029121152	1	50	0.0	-73.66	380.30	8.01	-65.65
C[NH+](C)CCCCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029121184	0	57	0.0	-73.18	410.88	6.81	-66.37
CC(C)C(C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029121198	0	57	0.0	-70.27	384.33	6.16	-64.11
CCC[N@H+](C)CCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029121199	0	57	0.0	-75.00	406.98	6.65	-68.35
CCC[N@@H+](C)CCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029121199	1	57	0.0	-76.92	406.86	6.85	-70.07
CCC[N@H+](C)CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029121203	0	54	0.0	-73.56	385.21	6.06	-67.50
CCC[N@@H+](C)CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029121203	1	54	0.0	-73.48	385.47	6.07	-67.41
O=C(C1=CC(=O)[N-]O1)N1CCC2CCCC(C1)N2C(=O)C12CC[N@H+](C1)CCC2	REAL300029121218	0	56	0.0	-72.66	376.99	5.39	-67.27
O=C(C1=CC(=O)[N-]O1)N1CCC2CCCC(C1)N2C(=O)C12CC[N@@H+](C1)CCC2	REAL300029121218	1	56	0.0	-75.46	373.56	5.24	-70.22
C[N@@H+]1CCC[C@@H]1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029121244	0	52	0.0	-70.22	363.89	5.18	-65.04
C[N@H+]1CCC[C@@H]1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029121244	1	52	0.0	-69.05	369.71	5.56	-63.49
CC[NH+](CC)CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029121279	0	54	0.0	-71.29	376.97	5.70	-65.59
CC1CC[NH+](CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300029121340	0	58	0.0	-73.62	408.38	7.11	-66.51
C[NH+](C)CC1(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300029121362	0	55	0.0	-70.81	394.16	6.25	-64.56
C[NH+]1CCC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300029121415	0	55	0.0	-75.08	389.87	6.21	-68.87
CC(C)[C@H](C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029121431	0	57	0.0	-69.91	388.05	6.36	-63.55
CCC(C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](CC)CC	REAL300029121459	0	60	0.0	-65.22	405.18	6.73	-58.49
CC[N@H+](C)CCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029121500	0	54	0.0	-69.24	386.69	5.82	-63.42
CC[N@@H+](C)CCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029121500	1	54	0.0	-74.08	385.83	5.92	-68.16
CC1CCC[N@@H+]1CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029121530	0	55	0.0	-69.57	386.94	6.12	-63.45
CC1CCC[N@H+]1CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029121530	1	55	0.0	-70.14	382.79	6.10	-64.04
CC1CC[N@H+](CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029121532	0	55	0.0	-72.44	391.63	6.36	-66.08
CC1CC[N@@H+](CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029121532	1	55	0.0	-72.45	391.59	6.36	-66.09
CC1(C)CC[N@H+](CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029121536	0	58	0.0	-76.37	411.89	6.86	-69.51
CC1(C)CC[N@@H+](CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029121536	1	58	0.0	-72.31	410.49	6.88	-65.43
C[N@H+](CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2)CC(C)(C)C	REAL300029121537	0	60	0.0	-73.22	413.33	7.03	-66.19
C[N@@H+](CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2)CC(C)(C)C	REAL300029121537	1	60	0.0	-76.26	415.66	7.43	-68.83
CC[C@@H](C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029121545	0	54	0.0	-70.31	372.89	5.88	-64.43
C[NH+](C)CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029121649	0	48	0.0	-74.02	345.53	4.63	-69.39
O=C(C[NH+]1CCCCCC1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029121653	0	58	0.0	-72.70	396.55	6.68	-66.02
CN1C=C[N+](CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)=C1	REAL300029121656	0	50	0.0	-69.91	376.97	8.17	-61.74
C[N@@H+]1CCCC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029121661	0	55	0.0	-76.38	388.98	6.19	-70.19
C[N@H+]1CCCC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029121661	1	55	0.0	-75.96	389.86	6.17	-69.79
O=C(C1=CC(=O)[N-]O1)N1CCC2CCCC(C1)N2C(=O)C1CCC[N@@H+]1C1CC1	REAL300029121666	0	56	0.0	-66.62	396.99	6.84	-59.78
O=C(C1=CC(=O)[N-]O1)N1CCC2CCCC(C1)N2C(=O)C1CCC[N@H+]1C1CC1	REAL300029121666	1	56	0.0	-68.52	394.00	6.49	-62.03
CC(C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+]1CCC1	REAL300029121682	1	52	0.0	-69.99	369.43	5.41	-64.58
CCC(CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2)C[NH+](C)C	REAL300029121686	0	60	0.0	-73.82	416.55	7.16	-66.66
C[NH+](C)CC(C)(C)C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029121691	0	57	0.0	-76.74	382.19	5.78	-70.96
O=C(C[NH+]1CCC(O)CC1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029121706	1	56	0.0	-80.08	398.69	3.35	-76.73
C[N@H+](CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300029121707	0	52	0.0	-71.95	374.67	6.26	-65.69
C[N@@H+](CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300029121707	1	52	0.0	-70.78	374.92	6.04	-64.74
C[NH+]1CC(CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029121723	0	52	0.0	-73.47	376.92	5.49	-67.98
CC(C)(C)[N@@H+]1CCC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029121734	0	58	0.0	-69.78	383.85	5.62	-64.16
CC(C)(C)[N@H+]1CCC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029121734	1	58	0.0	-69.31	385.47	5.47	-63.84
C[C@@H](C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029121745	0	51	0.0	-67.61	356.83	4.76	-62.85
[NH2+]=C1SC=CN1CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029121804	0	48	0.0	-70.73	372.42	5.08	-65.65
C[N@H+](CCO)CCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029121811	0	55	0.0	-75.60	395.71	2.89	-72.71
C[N@@H+](CCO)CCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029121811	1	55	0.0	-75.59	395.72	2.90	-72.69
C[C@@H](C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029121812	0	51	0.0	-67.61	356.83	4.76	-62.85
C[N@@H+]1CCCC[C@@H]1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029121816	0	55	0.0	-69.95	374.25	5.60	-64.35
C[N@H+]1CCCC[C@@H]1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029121816	1	55	0.0	-67.89	384.75	6.15	-61.74
O=C(C[NH+]1CCC1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029121866	1	49	0.0	-68.95	353.20	4.97	-63.98
C[N@@H+]1CCC(=CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029121885	0	53	0.0	-77.71	382.50	6.23	-71.48
C[N@H+]1CCC(=CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029121885	1	53	0.0	-77.63	383.34	6.20	-71.43
C[NH+](C)CCOCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029121908	0	55	0.0	-71.00	401.40	5.75	-65.25
C=CCC(C)(C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029121922	0	58	0.0	-67.21	389.29	6.24	-60.97
C[S+](C)CCC(O)C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029121926	0	54	0.0	-75.00	403.33	4.07	-70.93
C[N@@H+]1CC(O)CC1(C)C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029121945	0	56	0.0	-68.69	383.29	2.00	-66.69
CC1CN(CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029121964	0	52	0.0	-76.90	377.15	5.98	-70.92
CC1C[NH+](CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029121964	1	52	0.0	-76.90	377.15	5.98	-70.92
CN(CCO)CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029121982	0	52	0.0	-73.80	374.32	2.10	-71.70
C[N@H+](CCO)CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029121982	1	52	0.0	-73.28	373.86	2.10	-71.18
C[N@@H+](CCO)CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029121982	1	52	0.0	-73.28	373.86	2.10	-71.18
CC[N@@H+]1CCCC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029122002	0	58	0.0	-69.64	395.59	7.00	-62.64
CC[N@H+]1CCCC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029122002	1	58	0.0	-69.64	395.59	7.00	-62.64
CC(CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2)C[NH+](C)C	REAL300029122004	0	57	0.0	-76.46	402.66	6.66	-69.80
CC[N@H+](C)CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122009	0	51	0.0	-73.16	363.97	5.33	-67.83
CC[N@H+](CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300029122042	0	55	0.0	-70.12	391.92	6.64	-63.48
CC[NH+](CC)CCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122052	0	57	0.0	-73.51	399.12	6.32	-67.19
CC1(C)CN(CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029122070	0	55	0.0	-75.95	396.05	6.63	-69.32
CC1(C)C[NH+](CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029122070	1	55	0.0	-75.95	396.05	6.63	-69.32
CC1(O)CC[N@H+](CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029122088	0	56	0.0	-72.40	404.13	3.16	-69.24
C[NH+](C)CC=CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122092	0	52	0.0	-80.61	380.21	5.99	-74.62
CC(OCC[NH+](C)C)C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122101	0	58	0.0	-72.24	414.94	6.26	-65.98
C[NH+](C)CCOCCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122107	0	58	0.0	-70.58	422.34	5.47	-65.11
COCCN(C)CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122108	0	55	0.0	-73.01	396.11	4.51	-68.50
COCC[N@H+](C)CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122108	1	55	0.0	-74.04	396.57	4.50	-69.54
COCC[N@@H+](C)CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122108	1	55	0.0	-74.04	396.57	4.50	-69.54
C[NH+](C)C1(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)CCCC1	REAL300029122128	0	58	0.0	-68.18	388.45	6.37	-61.81
CC(CCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029122130	0	57	0.0	-75.69	399.16	6.39	-69.30
CCN1CCC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122136	0	52	0.0	-71.37	376.48	5.59	-65.78
CC[N@@H+]1CCC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122136	1	52	0.0	-70.09	369.40	5.33	-64.76
CC[N@H+]1CCC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122136	1	52	0.0	-70.09	369.40	5.33	-64.76
O=C(C[N@H+]1CCCC1CO)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122149	0	56	0.0	-68.77	391.36	3.18	-65.59
C[NH+]1CCC(C)(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300029122171	0	58	0.0	-70.98	390.60	5.99	-64.99
C=CCC(C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029122190	0	55	0.0	-71.45	386.47	6.20	-65.25
C[N@@H+]1CC(C)(C)CC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122197	0	58	0.0	-68.08	404.63	6.59	-61.49
C[N@H+]1CC(C)(C)CC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122197	1	58	0.0	-68.08	404.63	6.59	-61.49
C[NH+](C)CCCCCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122199	0	60	0.0	-71.90	432.38	7.60	-64.30
CCCC(C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029122220	0	57	0.0	-72.08	393.97	6.45	-65.63
C[NH+](C)C(C)(C)C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122223	0	54	0.0	-68.10	363.14	5.05	-63.05
C[N@@H+]1CCCCC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122249	0	55	0.0	-67.56	386.04	6.25	-61.31
C[N@H+]1CC=C(CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300029122273	0	56	0.0	-69.48	404.68	7.01	-62.47
C[N@@H+]1CC=C(CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300029122273	1	56	0.0	-69.48	404.68	7.01	-62.47
O=C(C=CC[NH+]1CCCC1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122313	0	56	0.0	-77.50	406.83	7.08	-70.42
O=C(CC[NH+]1CCCC1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122346	0	55	0.0	-73.63	393.84	6.40	-67.23
C[N@@H+]1CC2CC1(C(=O)N1C3CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC3)C2	REAL300029122375	0	53	0.0	-69.36	375.25	5.64	-63.72
O=C(C[N@@H+]1CC2CCC1C2)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122382	0	56	0.0	-70.84	391.94	6.71	-64.13
O=C(C[N@H+]1CC2CCC1C2)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122382	1	56	0.0	-70.84	391.94	6.71	-64.13
O=C(CN1CC2C=CC1C2)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122422	0	54	0.0	-69.22	384.47	6.48	-62.74
O=C(C[N@@H+]1CC2C=CC1C2)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122422	1	54	0.0	-70.62	385.33	6.84	-63.78
O=C(C[N@H+]1CC2C=CC1C2)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122422	1	54	0.0	-70.62	385.33	6.84	-63.78
CC(C[NH+](C)C)C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122454	0	54	0.0	-69.09	381.04	5.68	-63.41
C[N@@H+]1CCCCC1CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122504	0	58	0.0	-66.74	397.26	6.73	-60.01
C[N@H+]1CCCCC1CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122504	1	58	0.0	-66.74	397.26	6.73	-60.01
CC1CCN1CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122516	0	52	0.0	-71.27	369.91	5.53	-65.74
CC1CC[N@@H+]1CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122516	1	52	0.0	-72.87	370.73	5.43	-67.44
CC1CC[N@H+]1CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122516	1	52	0.0	-72.87	370.73	5.43	-67.44
C[NH+](C)CC(O)CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122519	0	55	0.0	-76.75	398.22	3.66	-73.09
CC1CN(C)CC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)O1	REAL300029122539	0	56	0.0	-72.77	391.22	5.43	-67.34
CC1C[N@H+](C)CC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)O1	REAL300029122539	1	56	0.0	-73.59	390.72	5.36	-68.23
CC1C[N@@H+](C)CC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)O1	REAL300029122539	1	56	0.0	-73.59	390.72	5.36	-68.23
C[NH+](C)[C@H]1C[C@H](C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029122586	0	55	0.0	-72.39	394.57	6.36	-66.03
CC(CC[NH+](C)C)C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122592	0	57	0.0	-72.98	404.28	6.33	-66.65
CN1CCN(CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300029122611	0	57	0.0	-71.71	408.65	4.39	-67.32
C[NH+]1CCN(CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300029122611	1	57	0.0	-71.71	408.65	4.39	-67.32
NC(=[NH2+])SCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122635	0	46	0.0	-73.63	353.45	1.67	-71.96
C[NH+](C)CCC1(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300029122664	0	58	0.0	-71.96	417.62	6.98	-64.98
C[N@@H+]1CC=CCC1CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122665	0	56	0.0	-67.51	391.70	6.67	-60.84
C[N@H+]1CC=CCC1CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122665	1	56	0.0	-67.51	391.70	6.67	-60.84
C[C@@H](OCC[NH+](C)C)C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122678	0	58	0.0	-69.14	417.79	6.32	-62.82
CCC1C[NH+](CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029122764	0	55	0.0	-77.75	398.55	6.74	-71.01
C[N@H+]1CCC[C@H]1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122769	1	52	0.0	-72.00	361.55	5.29	-66.71
O=C(CC[N@@H+]1CCC(F)C1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122775	1	55	0.0	-78.52	399.63	6.48	-72.04
O=C(C[NH+]1CCCCC1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122788	0	55	0.0	-74.90	387.36	6.71	-68.19
CC1C(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)CC[N@@H+]1C	REAL300029122794	0	55	0.0	-73.45	379.05	5.77	-67.68
CC1C(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)CC[N@H+]1C	REAL300029122794	1	55	0.0	-73.67	377.77	5.87	-67.80
CN1CCOCC1CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122823	0	56	0.0	-69.88	391.35	4.45	-65.43
C[N@@H+]1CCOCC1CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122823	1	56	0.0	-78.44	396.09	4.48	-73.96
C[N@H+]1CCOCC1CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122823	1	56	0.0	-69.88	391.35	4.45	-65.43
C[N@@H+]1CCCC1C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029122994	0	52	0.0	-72.07	365.98	5.21	-66.86
C[N@H+]1CCCC1C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029122994	1	52	0.0	-72.49	367.51	5.46	-67.03
C[N@@H+]1CCOC(C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029123020	1	53	0.0	-83.21	377.88	4.80	-78.41
C[N@H+]1CCOC(C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029123020	1	53	0.0	-71.69	372.25	4.57	-67.12
O=C(CC[NH+]1CCOCC1)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029123173	1	56	0.0	-80.91	400.49	4.53	-76.38
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C13CCC[NH+]1CCC3)CC2	REAL300029123185	0	56	0.0	-68.99	378.29	5.78	-63.21
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC3=C[NH+]=CN3C=C1)CC2	REAL300029123191	1	50	0.0	-77.12	377.92	7.89	-69.23
C[N@@H+]1CCC(CC(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029123222	0	55	0.0	-76.65	392.57	6.14	-70.51
C[N@H+]1CCC(CC(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029123222	1	55	0.0	-79.18	392.05	6.02	-73.16
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029123228	0	54	0.0	-77.84	398.34	4.24	-73.60
CCC(C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029123230	0	54	0.0	-72.68	369.98	5.36	-67.32
C[NH+](C)CCCCC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029123268	0	57	0.0	-76.27	410.56	6.63	-69.64
CC(C)C(C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029123284	0	57	0.0	-74.73	388.58	6.22	-68.51
CCC[N@H+](C)CCC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029123285	0	57	0.0	-83.43	405.19	6.19	-77.24
CCC[N@@H+](C)CCC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029123285	1	57	0.0	-78.59	406.82	6.48	-72.11
CCC[N@H+](C)CC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029123289	0	54	0.0	-76.19	387.64	6.13	-70.06
CCC[N@@H+](C)CC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029123289	1	54	0.0	-75.71	382.48	6.38	-69.33
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C13CC[N@H+](C1)CCC3)CC2	REAL300029123304	0	56	0.0	-78.71	373.22	5.16	-73.55
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C13CC[N@@H+](C1)CCC3)CC2	REAL300029123304	1	56	0.0	-75.85	374.81	5.18	-70.67
CC1CC[NH+](CC(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029123337	0	58	0.0	-82.33	406.18	6.67	-75.66
C[NH+](C)CC1(C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029123378	0	55	0.0	-78.94	389.09	5.83	-73.11
CC[N@H+](C)CCC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029123397	0	54	0.0	-82.57	383.69	5.45	-77.12
CC[N@@H+](C)CCC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029123397	1	54	0.0	-77.84	385.32	5.73	-72.11
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1C[NH+]3CCC1CC3)CC2	REAL300029123415	0	56	0.0	-75.04	382.41	5.91	-69.13
C[NH+]1CCC(C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029123464	0	55	0.0	-78.02	387.67	5.94	-72.08
CC(C)[C@H](C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029123480	0	57	0.0	-73.05	386.71	5.96	-67.09
CC[NH+](CC)CC(F)C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029123540	0	57	0.0	-75.95	403.72	6.27	-69.68
C[NH+](C)C1(C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029123561	0	55	0.0	-74.30	368.29	5.27	-69.03
CCC(C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300029123589	0	60	0.0	-72.19	398.56	6.40	-65.79
CC1CCC[N@@H+]1CC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029123600	0	55	0.0	-75.64	391.94	6.22	-69.42
CC1CCC[N@H+]1CC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029123600	1	55	0.0	-73.33	391.01	6.39	-66.94
CC(C)[N@@H+]1CCCC1C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029123646	0	58	0.0	-70.70	399.76	6.43	-64.27
CC(C)[N@H+]1CCCC1C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029123646	1	58	0.0	-66.78	402.77	6.36	-60.42
CC(C)[C@@H](C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029123655	0	57	0.0	-74.81	389.84	6.12	-68.69
CC1CC[N@H+](CC(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029123669	0	55	0.0	-75.55	390.98	6.29	-69.26
CC1CC[N@@H+](CC(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029123669	1	55	0.0	-75.70	391.63	6.32	-69.38
CC1(C)CC[N@H+](CC(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029123673	0	58	0.0	-78.31	410.60	6.73	-71.58
CC1(C)CC[N@@H+](CC(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029123673	1	58	0.0	-75.92	411.17	6.85	-69.07
C[N@H+](CC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029123674	0	60	0.0	-76.84	412.94	6.85	-69.99
C[N@@H+](CC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029123674	1	60	0.0	-75.59	418.13	7.16	-68.43
CC[C@@H](C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029123682	0	54	0.0	-71.69	367.35	5.23	-66.46
CC1=[NH+]C=CN1CC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029123803	1	50	0.0	-72.05	374.96	6.18	-65.87
CC[N@@H+]1CCOC(C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029123867	1	56	0.0	-70.31	391.67	5.38	-64.93
CC[N@H+]1CCOC(C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029123867	1	56	0.0	-75.05	390.88	5.25	-69.80
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CN3C=[NH+]C=C3C=C1)CC2	REAL300029123897	0	50	0.0	-73.61	380.23	7.92	-65.69
CC1=C[NH+]=CN1CC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029123900	1	50	0.0	-73.85	375.35	6.93	-66.92
C[C@@H]1[C@H](C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029123907	0	55	0.0	-80.99	375.75	5.71	-75.28
C[C@@H]1[C@H](C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029123907	1	55	0.0	-73.34	381.75	5.98	-67.36
CC[C@@H]1[C@@H](C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029123909	0	58	0.0	-76.35	403.15	6.13	-70.22
CC[C@@H]1[C@@H](C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029123909	1	58	0.0	-76.62	402.26	6.44	-70.18
CC1CCC(C)[NH+]1CC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029123916	0	58	0.0	-71.43	402.76	6.39	-65.04
O=C(CCC[NH+]1CCCC1)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029123919	0	58	0.0	-75.66	414.32	6.98	-68.68
O=C(CC[NH+]1CCCCC1)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029123923	0	58	0.0	-77.26	409.21	6.93	-70.33
CC[N@@H+]1CCCCC1C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029123926	0	58	0.0	-72.75	394.87	6.38	-66.37
CC[N@H+]1CCCCC1C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029123926	1	58	0.0	-70.86	401.73	6.59	-64.27
C[N@H+](CC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029124024	0	55	0.0	-74.12	391.80	6.56	-67.56
C[N@@H+](CC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029124024	1	55	0.0	-73.81	394.53	6.69	-67.12
C[NH+]1CCC(C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029124055	0	55	0.0	-78.02	387.67	5.94	-72.08
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124085	0	52	0.0	-77.23	363.40	5.08	-72.15
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124085	1	52	0.0	-70.17	369.99	5.32	-64.85
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124103	1	54	0.0	-74.94	388.90	6.23	-68.71
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124103	1	54	0.0	-74.01	392.89	6.56	-67.45
C[N@@H+]1CCCC1CCC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124108	0	58	0.0	-81.60	413.65	7.25	-74.35
C[N@H+]1CCCC1CCC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124108	1	58	0.0	-74.52	407.03	6.63	-67.89
C[N@@H+]1CCCCC1C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124182	0	55	0.0	-73.98	377.55	5.83	-68.15
C[N@H+]1CCCCC1C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124182	1	55	0.0	-78.29	377.05	5.55	-72.74
CC1C(C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029124240	0	55	0.0	-73.58	382.28	5.62	-67.96
CC1C(C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029124240	1	55	0.0	-73.67	386.24	5.63	-68.04
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124296	0	58	0.0	-75.59	385.13	5.44	-70.15
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124296	1	58	0.0	-71.27	405.51	6.20	-65.07
C[C@@H](C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029124310	0	51	0.0	-72.83	356.06	4.67	-68.16
C=CCC(C)(C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029124324	0	58	0.0	-70.47	387.98	6.04	-64.43
O=C(CC[NH+]1CCCC1)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124341	0	55	0.0	-77.12	393.54	6.22	-70.90
C[N@H+](CCO)CC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124350	1	52	0.0	-75.75	371.33	2.40	-73.35
C[N@@H+](CCO)CC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124350	1	52	0.0	-76.24	376.49	2.16	-74.08
C[N@H+]1CC=C(CC(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029124408	0	56	0.0	-72.99	404.69	6.94	-66.05
C[N@@H+]1CC=C(CC(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029124408	1	56	0.0	-71.77	404.34	6.82	-64.95
C[S+](C)CCC(O)C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124418	0	54	0.0	-72.60	405.67	3.83	-68.77
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124431	0	56	0.0	-74.88	380.72	2.26	-72.62
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124431	1	56	0.0	-70.48	382.05	1.81	-68.67
CC1C[NH+](CC(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029124461	1	52	0.0	-76.49	376.89	5.67	-70.82
CC[N@@H+]1CCCC(C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029124467	0	58	0.0	-67.01	391.38	6.48	-60.53
CC[N@H+]1CCCC(C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029124467	1	58	0.0	-66.53	398.63	6.81	-59.72
NC1=[NH+]C=CC=C1CC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124471	0	51	0.0	-71.68	379.79	4.42	-67.26
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1CCC[N@@H+]1C1CC1)CC2	REAL300029124479	0	56	0.0	-71.81	398.20	6.51	-65.30
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1CCC[N@H+]1C1CC1)CC2	REAL300029124479	1	56	0.0	-69.76	396.77	6.73	-63.03
O=C(C=CC[NH+]1CCCC1)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124509	0	56	0.0	-77.99	405.55	6.80	-71.19
CC[N@H+](C)CC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124554	0	51	0.0	-76.67	362.96	5.13	-71.54
O=C(CN1CC2C=CC1C2)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124589	0	54	0.0	-72.38	384.71	6.49	-65.89
O=C(C[N@@H+]1CC2C=CC1C2)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124589	1	54	0.0	-74.22	386.60	6.68	-67.54
O=C(C[N@H+]1CC2C=CC1C2)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124589	1	54	0.0	-74.22	386.60	6.68	-67.54
CC(OCC[NH+](C)C)C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124676	0	58	0.0	-72.17	408.29	5.84	-66.33
C[NH+](C)CCOCCC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124683	0	58	0.0	-73.78	422.02	5.28	-68.50
COCCN(C)CC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124685	0	55	0.0	-76.12	398.74	4.56	-71.56
COCC[N@H+](C)CC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124685	1	55	0.0	-76.06	393.58	4.81	-71.25
COCC[N@@H+](C)CC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124685	1	55	0.0	-76.06	393.58	4.81	-71.25
CC(CCC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029124688	0	57	0.0	-79.98	399.17	6.32	-73.66
CC[N@H+](CC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029124704	0	55	0.0	-73.25	391.46	6.56	-66.69
C[N@@H+]1CC2CC1(C(=O)N1CCC3CCCC(C1)N3C(=O)C1=CC(=O)[N-]O1)C2	REAL300029124731	0	53	0.0	-72.64	370.09	5.43	-67.21
O=C(C[N@@H+]1CC2CCC1C2)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124740	0	56	0.0	-73.24	389.84	6.46	-66.78
O=C(C[N@H+]1CC2CCC1C2)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124740	1	56	0.0	-73.24	389.84	6.46	-66.78
CC(C[NH+](C)C)C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124755	0	54	0.0	-73.50	374.95	5.29	-68.21
CCN1CCC1C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124792	0	52	0.0	-73.18	369.29	5.18	-68.00
CC[N@@H+]1CCC1C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124792	1	52	0.0	-72.73	369.38	5.19	-67.54
CC[N@H+]1CCC1C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124792	1	52	0.0	-72.73	369.38	5.19	-67.54
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124803	0	60	0.0	-71.82	407.68	4.96	-66.86
CNC1=NC(C)=CC=C1C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124830	0	54	0.0	-67.16	396.31	5.16	-62.00
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124830	1	54	0.0	-67.16	396.31	5.16	-62.00
CCCC(C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029124839	0	57	0.0	-73.21	393.73	6.20	-67.01
C[NH+](C)C(C)(C)C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124844	0	54	0.0	-74.85	357.99	4.80	-70.05
CC(CC[NH+](C)C)C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124858	0	57	0.0	-74.01	393.26	5.82	-68.19
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124920	0	58	0.0	-72.32	406.35	6.41	-65.91
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124920	1	58	0.0	-71.61	404.49	6.38	-65.23
C[NH+](C)CCCCCC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124922	0	60	0.0	-74.70	432.06	7.40	-67.30
C[NH+]1CCN(CC(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029124929	1	57	0.0	-73.85	404.16	3.96	-69.89
CC1C[N@H+](C)CC(C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)O1	REAL300029124982	1	56	0.0	-77.18	396.18	5.40	-71.78
CC1C[N@@H+](C)CC(C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)O1	REAL300029124982	1	56	0.0	-88.72	401.61	5.51	-83.21
O=C(C[NH+]1CC2CC2C1)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125013	0	53	0.0	-76.92	380.68	6.35	-70.57
C[N@@H+]1CCCCC1C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125040	0	55	0.0	-73.98	377.55	5.83	-68.15
C[N@H+]1CCCCC1C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125040	1	55	0.0	-78.29	377.05	5.55	-72.74
C[N@@H+]1CCC(=CC(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029125114	0	53	0.0	-77.79	383.88	6.05	-71.74
C[N@H+]1CCC(=CC(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029125114	1	53	0.0	-77.61	383.11	6.21	-71.40
O=C(CNC1=CC=[NH+]C=C1)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125117	0	51	0.0	-73.98	380.92	3.74	-70.24
C[NH+](C)C1(C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029125180	0	58	0.0	-70.22	379.72	5.85	-64.37
CCC1C[NH+](CC(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029125189	1	55	0.0	-77.84	397.89	6.31	-71.53
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125199	0	52	0.0	-71.92	366.11	5.21	-66.71
C[N@H+]1CCC[C@H]1C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125199	1	52	0.0	-75.20	361.77	4.92	-70.28
NC1=CC=C(CCC(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C=[NH+]1	REAL300029125243	0	54	0.0	-73.27	404.24	5.01	-68.26
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029125294	0	55	0.0	-80.15	389.04	6.09	-74.06
C[NH+](C)CCC1(C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029125303	0	58	0.0	-73.91	405.87	6.44	-67.47
C[N@@H+]1CC=CCC1CC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125304	0	56	0.0	-72.53	391.99	6.59	-65.94
C[N@H+]1CC=CCC1CC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125304	1	56	0.0	-82.98	397.15	6.66	-76.32
C[NH+](C)CCOCC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125340	0	55	0.0	-73.27	400.98	5.58	-67.69
[NH2+]=C1SC=CN1CC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125368	0	48	0.0	-70.74	372.61	4.77	-65.97
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125410	0	58	0.0	-69.25	409.58	5.86	-63.39
C[N@@H+]1CCCC(C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029125440	0	55	0.0	-79.40	386.98	5.91	-73.49
C[N@H+]1CCCC(C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029125440	1	55	0.0	-79.40	386.98	5.91	-73.49
O=C(C[NH+]1CCCCCC1)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125441	0	58	0.0	-75.47	399.37	6.77	-68.70
CN1C=C[N+](CC(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029125445	0	50	0.0	-73.69	376.45	7.99	-65.70
O=C(CN1CCC(O)CC1)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125468	0	56	0.0	-86.84	396.42	2.70	-84.14
O=C(C[NH+]1CCC(O)CC1)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125468	1	56	0.0	-86.84	396.42	2.70	-84.14
C[N@H+](CC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029125470	0	52	0.0	-74.32	374.62	5.89	-68.43
O=C(CC[N@H+]1CCC(F)C1)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125473	0	55	0.0	-83.19	400.96	6.53	-76.66
CC(CC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029125494	0	57	0.0	-76.30	402.29	6.62	-69.68
CN1CCOCC1CC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125513	0	56	0.0	-75.28	388.93	4.28	-71.00
C[N@@H+]1CCOCC1CC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125513	1	56	0.0	-82.11	396.06	4.44	-77.67
C[N@H+]1CCOCC1CC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125513	1	56	0.0	-82.11	396.06	4.44	-77.67
CC1=CC(N)=NC=C1C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125553	0	51	0.0	-72.25	375.94	3.84	-68.41
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125553	1	51	0.0	-72.25	375.94	3.84	-68.41
CC1(O)CC[N@H+](CC(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029125583	0	56	0.0	-77.35	401.93	2.92	-74.43
C[NH+]1CC(CC(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029125611	0	52	0.0	-77.23	376.49	5.31	-71.92
C[N@H+](CCO)CCC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125641	0	55	0.0	-81.90	394.03	2.21	-79.69
C[N@@H+](CCO)CCC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125641	1	55	0.0	-81.90	394.03	2.21	-79.69
C[N@@H+]1CCCCC1CC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125659	0	58	0.0	-68.47	396.93	6.56	-61.91
C[N@H+]1CCCCC1CC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125659	1	58	0.0	-68.47	396.93	6.56	-61.91
CC1CCN1CC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125674	0	52	0.0	-75.02	376.64	5.57	-69.45
CC1CC[N@@H+]1CC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125674	1	52	0.0	-75.44	376.65	5.55	-69.89
CC1CC[N@H+]1CC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125674	1	52	0.0	-75.44	376.65	5.55	-69.89
C[NH+](C)CC=CC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125682	0	52	0.0	-79.53	382.20	5.76	-73.77
CC1(C)CN(CC(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029125688	0	55	0.0	-75.73	394.55	6.65	-69.08
CC1(C)C[NH+](CC(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029125688	1	55	0.0	-75.73	394.55	6.65	-69.08
C[NH+](C)CCSCC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125710	0	55	0.0	-78.54	412.10	6.45	-72.09
O=C(C[N@H+]1CCCC1CO)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125729	0	56	0.0	-75.24	395.21	2.71	-72.53
CC[NH+](CC)CC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125733	0	54	0.0	-74.13	381.15	5.90	-68.23
O=C(CN1CCC1)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125742	0	49	0.0	-76.65	355.90	5.05	-71.60
O=C(C[NH+]1CCC1)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125742	1	49	0.0	-76.65	355.90	5.05	-71.60
CC[NH+](CC)CCC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125773	0	57	0.0	-76.52	403.45	6.53	-69.99
CC(C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)N1CCC1	REAL300029125832	0	52	0.0	-73.19	360.21	4.90	-68.29
CC(C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300029125832	1	52	0.0	-73.19	360.21	4.90	-68.29
CCC(CC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029125837	0	60	0.0	-69.42	420.68	7.25	-62.17
C[NH+](C)CC(C)(C)C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125843	0	57	0.0	-71.37	374.72	5.47	-65.90
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125880	0	55	0.0	-75.45	376.35	5.62	-69.83
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125880	1	55	0.0	-72.46	385.78	6.09	-66.37
C[NH+](C)CC(O)CC(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125904	0	55	0.0	-80.17	397.81	3.52	-76.65
C=CCC(C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029125926	0	55	0.0	-73.09	386.69	5.97	-67.12
C[NH+]1CCC(C)(C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029125939	0	58	0.0	-75.25	380.44	5.86	-69.39
C[NH+](C)CCSCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029126002	0	55	0.0	-75.32	412.42	6.66	-68.66
C[N@@H+]1CCCC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029126165	0	49	0.0	-70.19	351.87	4.83	-65.36
C[N@H+]1CCCC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029126165	1	49	0.0	-73.68	348.27	4.43	-69.25
CC(C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCCC1	REAL300029126360	0	58	0.0	-69.62	395.14	6.33	-63.29
CC(C)[N@@H+]1CCCCC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029126362	0	58	0.0	-68.38	392.58	6.11	-62.27
CC(C)[N@H+]1CCCCC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029126362	1	58	0.0	-63.11	392.18	6.08	-57.03
CC(C)[N@@H+]1CCCC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029126383	0	55	0.0	-69.30	384.29	5.89	-63.41
CC(C)[N@H+]1CCCC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029126383	1	55	0.0	-68.75	385.21	5.76	-62.99
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1CC2CCCC[N@@H+]2C1	REAL300029126400	0	56	0.0	-75.51	392.54	6.53	-68.98
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1CC2CCCC[N@H+]2C1	REAL300029126400	1	56	0.0	-72.08	393.53	6.53	-65.55
CC(C)C1=[NH+]C=CN1CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029126422	1	53	0.0	-69.52	395.44	6.70	-62.82
CC1=[NH+]C=CN1CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029126456	1	47	0.0	-71.10	359.19	5.55	-65.55
CC(C[NH+]1CCOCC1)C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029126458	1	56	0.0	-71.39	399.23	4.54	-66.85
O=C(CCC[NH+]1CCCCC1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029126475	0	58	0.0	-69.82	415.96	7.31	-62.51
CC(C)(C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCC1	REAL300029126494	0	58	0.0	-68.16	390.57	6.11	-62.05
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1C[NH+]2CCC1CC2	REAL300029126504	0	53	0.0	-80.20	365.15	5.46	-74.74
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1CCCC2CCC[N@@H+]21	REAL300029126550	0	56	0.0	-69.84	382.20	5.86	-63.98
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1CCCC2CCC[N@H+]21	REAL300029126550	1	56	0.0	-67.22	395.53	6.74	-60.48
C[C@@H]1[C@H](C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029126566	0	52	0.0	-76.98	362.26	5.15	-71.83
C[C@@H]1[C@H](C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029126566	1	52	0.0	-69.47	369.94	5.42	-64.05
CC[C@@H]1[C@@H](C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029126571	0	55	0.0	-70.01	382.14	5.44	-64.57
CC[C@@H]1[C@@H](C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029126571	1	55	0.0	-68.12	385.40	5.86	-62.26
CC[N@@H+]1CCOC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029126586	1	53	0.0	-75.36	371.85	4.57	-70.79
CC[N@H+]1CCOC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029126586	1	53	0.0	-75.71	372.46	4.61	-71.10
CC[NH+](CC)CC(F)C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029126632	0	54	0.0	-69.98	385.81	5.59	-64.39
CC1CCC(C)[NH+]1CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029126705	0	55	0.0	-65.40	387.20	5.91	-59.49
O=C(CCC[NH+]1CCCC1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029126711	0	55	0.0	-69.84	398.32	6.43	-63.41
C[NH+](C)CC1=CC=CC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029126712	0	55	0.0	-74.72	406.05	7.03	-67.69
C#CC[NH+]1CCC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029126717	0	54	0.0	-80.18	399.40	6.72	-73.46
O=C(CC[NH+]1CCCCC1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029126718	0	55	0.0	-70.67	394.17	6.54	-64.13
C[NH+](C)CC1=CC=CC=C1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029126721	0	55	0.0	-64.65	405.46	7.10	-57.55
CC[N@@H+]1CCCCC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029126725	0	55	0.0	-69.09	389.32	6.23	-62.86
CC[N@H+]1CCCCC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029126725	1	55	0.0	-63.99	388.48	6.17	-57.82
C[NH+](C)C(C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300029126728	1	55	0.0	-65.43	402.05	7.26	-58.17
CC(C)C[N@@H+]1CCC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029126745	0	58	0.0	-69.24	411.24	6.85	-62.39
CC(C)C[N@H+]1CCC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029126745	1	58	0.0	-75.52	412.80	6.87	-68.65
C[NH+](C)C1(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CCC1	REAL300029126749	0	52	0.0	-74.27	350.94	4.70	-69.57
CC(C)[N@@H+]1CCCC1CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029126751	0	58	0.0	-67.73	412.52	6.74	-60.99
CC(C)[N@H+]1CCCC1CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029126751	1	58	0.0	-73.55	408.59	6.63	-66.92
CC(C)[C@@H](C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029126766	0	54	0.0	-67.43	370.33	5.30	-62.13
C[N@H+](CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300029126815	0	52	0.0	-73.55	376.00	5.94	-67.61
C[N@@H+](CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300029126815	1	52	0.0	-73.92	376.14	5.92	-68.00
CC(C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1C(C)CCC1C	REAL300029126879	0	58	0.0	-61.29	398.19	6.29	-55.00
CN(CCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=[NH+]C=C1	REAL300029126935	0	54	0.0	-64.65	404.94	5.72	-58.93
C#CC[N@H+]1CCC[C@H]1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029126943	1	51	0.0	-71.08	374.84	5.71	-65.37
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029126943	1	51	0.0	-72.31	378.36	6.07	-66.24
C[N@@H+]1CCCC1CCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029126949	0	55	0.0	-70.95	397.80	6.62	-64.33
C[N@H+]1CCCC1CCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029126949	1	55	0.0	-73.41	398.26	6.45	-66.96
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C12CCC[NH+](CCC1)C2	REAL300029126960	0	56	0.0	-71.45	374.84	5.49	-65.96
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1CCC2CCCC[N@@H+]21	REAL300029126967	0	56	0.0	-63.33	393.45	6.67	-56.66
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1CCC2CCCC[N@H+]21	REAL300029126967	1	56	0.0	-68.62	393.63	6.77	-61.85
O=C(CCCC[NH+]1CCCC1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029126987	0	58	0.0	-69.00	421.79	7.39	-61.61
C[N@H+](CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300029126989	1	55	0.0	-80.65	406.81	7.63	-73.02
C[N@@H+](CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300029126989	1	55	0.0	-81.07	406.50	7.55	-73.52
C[NH+]1CCC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029127000	0	52	0.0	-71.67	373.61	5.60	-66.07
C[NH+](C)CC1=CC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=NO1	REAL300029127041	1	51	0.0	-74.96	384.86	5.21	-69.75
CC1=C(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C=CC2=C[NH+]=CN21	REAL300029127042	0	50	0.0	-72.79	382.74	7.65	-65.14
C[N@@H+]1CCCCC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029127074	0	52	0.0	-65.37	369.41	5.46	-59.91
C[N@H+]1CCCCC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029127074	1	52	0.0	-67.08	359.42	4.98	-62.10
CC(C)C[N@@H+]1CCCC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029127097	0	58	0.0	-65.16	410.35	6.91	-58.25
CC(C)C[N@H+]1CCCC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029127097	1	58	0.0	-70.91	401.97	6.65	-64.26
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300029127202	0	47	0.0	-73.17	354.25	6.97	-66.20
CC1=[NH+]C=CN1CCCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029127211	1	53	0.0	-71.97	400.75	6.87	-65.10
C[NH+](C)CC1=CC=C(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C=C1	REAL300029127216	0	55	0.0	-79.77	406.03	7.05	-72.72
O=C(CC[NH+]1CCOCC1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029127217	1	53	0.0	-74.18	385.34	4.02	-70.16
CC1=C[NH+]=CN1CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029127248	1	47	0.0	-74.01	359.55	6.29	-67.72
O=C(CN1C=[NH+]C2=C1CCCC2)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029127254	1	54	0.0	-72.77	401.75	8.10	-64.67
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C12CCC[NH+]1CCC2	REAL300029127290	0	53	0.0	-68.07	363.71	5.14	-62.93
C[NH+](C)C1CCCC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029127319	0	58	0.0	-68.48	403.13	6.45	-62.03
C[N@@H+]1CCC(CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029127322	0	52	0.0	-71.05	377.18	5.69	-65.36
C[N@H+]1CCC(CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029127322	1	52	0.0	-77.78	376.34	5.58	-72.20
CN(C)C1=CC=[NH+]C=C1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029127334	0	51	0.0	-69.51	376.05	3.44	-66.07
CCC(C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029127339	0	51	0.0	-66.06	355.68	4.81	-61.25
C[NH+](C)C1(CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300029127353	0	58	0.0	-78.43	394.01	6.53	-71.90
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300029127397	1	47	0.0	-77.39	354.51	6.96	-70.43
C[NH+](C)CCCCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029127455	0	54	0.0	-70.43	395.83	6.20	-64.23
CC(C)C(C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029127475	0	54	0.0	-65.60	371.35	5.43	-60.17
CCC[N@H+](C)CCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029127477	0	54	0.0	-71.80	392.06	6.04	-65.76
CCC[N@@H+](C)CCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029127477	1	54	0.0	-71.98	391.76	6.07	-65.91
CCC[N@H+](C)CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029127483	0	51	0.0	-76.27	369.02	5.38	-70.89
CCC[N@@H+](C)CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029127483	1	51	0.0	-70.85	369.31	5.37	-65.48
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C12CC[N@H+](C1)CCC2	REAL300029127507	0	53	0.0	-69.52	362.38	4.78	-64.74
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C12CC[N@@H+](C1)CCC2	REAL300029127507	1	53	0.0	-69.73	362.90	4.78	-64.95
C[N@@H+]1CCC[C@@H]1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029127547	0	49	0.0	-74.14	348.58	4.44	-69.70
C[N@H+]1CCC[C@@H]1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029127547	1	49	0.0	-70.50	351.59	4.71	-65.79
CCCCCC[N@H+](C)CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029127607	0	60	0.0	-77.63	433.51	7.71	-69.92
CCCCCC[N@@H+](C)CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029127607	1	60	0.0	-77.62	433.51	7.72	-69.90
CC[NH+](CC)C(C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C(C)C	REAL300029127612	0	60	0.0	-64.09	400.34	6.42	-57.67
CC[NH+](CC)CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029127621	0	51	0.0	-68.24	362.01	5.09	-63.15
CCC[N@@H+]1CCCC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029127653	0	58	0.0	-68.40	408.38	6.62	-61.78
CCC[N@H+]1CCCC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029127653	1	58	0.0	-74.57	413.03	6.93	-67.64
CC(C)[N@@H+]1CCOC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029127670	1	56	0.0	-79.50	397.09	5.39	-74.11
CC(C)[N@H+]1CCOC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029127670	1	56	0.0	-66.59	388.40	5.12	-61.47
CC1CC[NH+](CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029127702	0	55	0.0	-76.38	392.72	6.51	-69.87
C[NH+]1CCC(OCC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029127730	0	56	0.0	-79.24	409.73	6.10	-73.14
C[NH+](C)CC1(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029127744	0	52	0.0	-73.89	377.76	5.51	-68.38
CC1=[NH+]C=C2CCC(C(=O)N3C4CCCC3CN(C(=O)C3=CC(=O)[N-]O3)C4)CN21	REAL300029127745	1	54	0.0	-62.53	396.76	6.63	-55.90
CC(C)[NH+]1CCC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029127820	0	58	0.0	-69.44	408.13	6.77	-62.67
C[NH+]1CCC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029127841	0	52	0.0	-71.67	373.61	5.60	-66.07
CC(C)[C@H](C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029127859	0	54	0.0	-72.77	369.28	5.39	-67.38
CCC(C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](CC)CC	REAL300029127890	0	57	0.0	-65.57	391.84	6.39	-59.18
CC[N@H+](C)CCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029127952	0	51	0.0	-71.03	370.56	5.29	-65.74
CC[N@@H+](C)CCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029127952	1	51	0.0	-71.23	370.26	5.33	-65.90
CC1CCC[N@@H+]1CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128008	0	52	0.0	-67.22	375.35	5.85	-61.37
CC1CCC[N@H+]1CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128008	1	52	0.0	-71.59	368.80	5.44	-66.15
CC1CC[N@H+](CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029128010	0	52	0.0	-69.86	375.28	5.68	-64.18
CC1CC[N@@H+](CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029128010	1	52	0.0	-75.69	375.44	5.66	-70.03
CC1=[NH+]C=C2CC(C(=O)N3C4CCCC3CN(C(=O)C3=CC(=O)[N-]O3)C4)CCN21	REAL300029128012	1	54	0.0	-71.28	395.93	6.51	-64.77
CC1(C)CC[N@H+](CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029128015	0	55	0.0	-75.31	394.85	6.18	-69.13
CC1(C)CC[N@@H+](CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029128015	1	55	0.0	-69.58	394.80	6.21	-63.37
C[N@H+](CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300029128016	0	57	0.0	-76.16	397.54	6.35	-69.81
C[N@@H+](CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300029128016	1	57	0.0	-75.71	400.06	6.51	-69.20
CC[C@@H](C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029128025	0	51	0.0	-66.38	356.17	4.77	-61.61
C[NH+]1CCC(O)(CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029128204	0	56	0.0	-76.11	400.57	4.25	-71.86
C[NH+](C)CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128216	0	45	0.0	-71.33	330.08	3.95	-67.38
O=C(C[NH+]1CCC(CO)CC1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128220	0	56	0.0	-72.17	403.58	3.21	-68.96
O=C(C[NH+]1CCCCCC1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128222	0	55	0.0	-74.99	381.29	6.09	-68.90
CN1C=C[N+](CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029128226	0	47	0.0	-72.42	361.38	7.55	-64.87
C[N@@H+]1CCCC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029128233	0	52	0.0	-76.24	374.32	5.48	-70.76
C[N@H+]1CCCC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029128233	1	52	0.0	-67.25	366.19	5.69	-61.56
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1CCC[N@@H+]1C1CC1	REAL300029128238	0	53	0.0	-63.12	380.04	6.05	-57.07
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1CCC[N@H+]1C1CC1	REAL300029128238	1	53	0.0	-63.54	377.33	6.16	-57.38
CC(C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300029128267	1	49	0.0	-66.37	348.35	4.55	-61.82
CCC(CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300029128273	0	57	0.0	-71.17	401.73	6.55	-64.62
C[NH+](C)CC(C)(C)C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128280	0	54	0.0	-65.34	366.67	5.06	-60.28
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300029128298	0	54	0.0	-69.72	383.12	6.14	-63.58
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300029128298	1	54	0.0	-70.60	384.29	6.44	-64.16
O=C(C[NH+]1CCC(O)CC1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128309	1	53	0.0	-74.72	382.99	2.56	-72.16
C[N@H+](CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029128310	0	49	0.0	-72.63	359.05	5.33	-67.30
C[N@@H+](CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029128310	1	49	0.0	-67.68	359.87	5.44	-62.24
CC(C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)N1CC[NH+](C)CC1	REAL300029128311	1	57	0.0	-71.64	395.61	3.50	-68.14
C[NH+]1CC(CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029128330	0	49	0.0	-76.04	361.49	4.91	-71.13
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1CC[N@@H+]1C1CCCC1	REAL300029128334	0	56	0.0	-68.51	401.68	7.00	-61.51
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1CC[N@H+]1C1CCCC1	REAL300029128334	1	56	0.0	-73.23	396.82	6.51	-66.72
CC(C)(C)[N@@H+]1CCC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128342	0	55	0.0	-71.59	390.40	5.61	-65.98
CC(C)(C)[N@H+]1CCC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128342	1	55	0.0	-70.93	390.97	5.70	-65.23
C[C@@H](C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029128353	0	48	0.0	-72.92	345.90	4.30	-68.62
CCC1CCC[N@H+](CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029128395	0	58	0.0	-68.94	403.25	6.61	-62.33
CCC1CCC[N@@H+](CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029128395	1	58	0.0	-70.21	404.11	7.14	-63.07
C[NH+](C)CC1=CC=C(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300029128403	0	53	0.0	-69.86	392.21	5.30	-64.56
[NH2+]=C1SC=CN1CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128448	0	45	0.0	-65.56	356.85	4.13	-61.43
C[N@H+](CCO)CCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128458	0	52	0.0	-71.00	380.61	2.10	-68.90
C[N@@H+](CCO)CCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128458	1	52	0.0	-70.40	380.89	2.07	-68.33
C[C@@H](C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029128459	0	48	0.0	-72.92	345.90	4.30	-68.62
C[N@@H+]1CCCC[C@@H]1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128463	0	52	0.0	-67.10	357.60	5.03	-62.07
C[N@H+]1CCCC[C@@H]1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128463	1	52	0.0	-70.64	371.10	5.56	-65.08
CC1CN2CC[N@@H+]1CC2C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128472	0	55	0.0	-77.06	377.82	2.47	-74.59
CC1CN2CC[N@H+]1CC2C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128472	1	55	0.0	-70.51	378.10	2.49	-68.02
O=C(CC1=CC2=C[NH+]=CN2C=C1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128518	0	50	0.0	-68.82	384.71	8.28	-60.54
C[N@H+](CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300029128543	0	53	0.0	-81.51	389.28	6.20	-75.31
C[N@@H+](CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300029128543	1	53	0.0	-80.81	389.42	6.30	-74.51
O=C(C[NH+]1CCC1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128544	1	46	0.0	-70.44	340.38	4.42	-66.02
C[NH+](C)CC1=CC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC=N1	REAL300029128574	1	54	0.0	-64.75	400.98	5.18	-59.57
C[N@@H+]1CCC(=CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029128576	0	50	0.0	-72.61	367.64	5.49	-67.12
C[N@H+]1CCC(=CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029128576	1	50	0.0	-77.64	367.45	5.51	-72.13
C[NH+](C)CCOCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128610	0	52	0.0	-68.61	385.95	5.07	-63.54
CCCCC[N@H+](C)CCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128616	0	60	0.0	-72.69	435.06	7.60	-65.09
CCCCC[N@@H+](C)CCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128616	1	60	0.0	-72.91	434.76	7.63	-65.28
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029128625	0	56	0.0	-68.60	405.28	5.77	-62.83
C=CCC(C)(C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029128632	0	55	0.0	-66.40	371.41	5.28	-61.12
C[S+](C)CCC(O)C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128637	0	51	0.0	-67.64	389.18	3.38	-64.26
C[N@@H+]1CC(O)CC1(C)C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128664	0	53	0.0	-66.99	369.55	1.43	-65.56
CN1CC[N@H+](C)CC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029128676	0	57	0.0	-72.74	401.23	3.50	-69.24
CN1CC[N@@H+](C)CC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029128676	1	57	0.0	-72.74	401.23	3.50	-69.24
CC(C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[N@@H+]1CCCC(O)C1	REAL300029128677	0	56	0.0	-65.54	396.33	3.01	-62.53
C[N@@H+]1CCCC(O)(CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029128696	0	56	0.0	-65.96	399.94	4.33	-61.63
C[N@H+]1CCCC(O)(CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029128696	1	56	0.0	-65.96	399.94	4.33	-61.63
CC1CN(CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029128699	0	49	0.0	-75.76	361.45	5.13	-70.63
CC1C[NH+](CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029128699	1	49	0.0	-75.76	361.45	5.13	-70.63
CN(CCO)CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128726	0	49	0.0	-76.74	357.87	1.39	-75.35
C[N@H+](CCO)CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128726	1	49	0.0	-76.14	357.83	1.40	-74.74
C[N@@H+](CCO)CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128726	1	49	0.0	-76.14	357.83	1.40	-74.74
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1C[N@@H+]2CCN1CCC2	REAL300029128749	0	55	0.0	-72.67	376.38	3.27	-69.40
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1C[N@H+]2CCN1CCC2	REAL300029128749	1	55	0.0	-72.67	376.38	3.27	-69.40
CC[N@@H+]1CCCC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029128755	0	55	0.0	-67.94	380.42	6.11	-61.83
CC[N@H+]1CCCC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029128755	1	55	0.0	-67.94	380.42	6.11	-61.83
CC(CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300029128757	0	54	0.0	-71.07	387.27	6.00	-65.07
CC[N@H+](C)CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128770	0	48	0.0	-75.63	347.89	4.71	-70.92
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C12CCC[N@@H+]1CCCC2	REAL300029128798	0	56	0.0	-62.86	376.09	5.57	-57.29
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C12CCC[N@H+]1CCCC2	REAL300029128798	1	56	0.0	-62.86	376.09	5.57	-57.29
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C12CCC[N@@H+]1CC=CC2	REAL300029128805	0	54	0.0	-66.97	368.30	5.32	-61.65
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C12CCC[N@H+]1CC=CC2	REAL300029128805	1	54	0.0	-66.97	368.30	5.32	-61.65
CC[N@H+](CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029128826	0	52	0.0	-66.99	376.68	6.06	-60.93
CC[NH+](CC)CCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128844	0	54	0.0	-69.92	388.36	5.99	-63.93
C[NH+]1CCC(=CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029128856	0	53	0.0	-74.95	382.64	6.30	-68.65
CC1(C)C[NH+](CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029128869	1	52	0.0	-75.86	380.53	5.62	-70.24
CC1(O)CC[N@H+](CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029128897	0	53	0.0	-69.77	386.07	2.35	-67.42
CC1(O)CC[N@@H+](CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029128897	1	53	0.0	-70.73	386.48	2.36	-68.37
C[NH+](C)CC=CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128904	0	49	0.0	-72.46	364.96	5.26	-67.20
CC(OCC[NH+](C)C)C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128926	0	55	0.0	-68.26	400.61	5.46	-62.80
C[NH+](C)CCOCCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128935	0	55	0.0	-67.80	406.77	4.82	-62.98
COCC[N@H+](C)CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128936	1	52	0.0	-75.89	380.08	3.80	-72.09
COCC[N@@H+](C)CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128936	1	52	0.0	-77.11	380.12	3.79	-73.32
C[NH+](C)C1(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300029128972	0	55	0.0	-73.20	358.70	4.98	-68.22
CC(CCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029128975	0	54	0.0	-72.32	384.08	5.83	-66.49
CC[N@@H+]1CCC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128984	1	49	0.0	-67.66	354.30	4.58	-63.08
CC[N@H+]1CCC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128984	1	49	0.0	-66.69	353.64	4.76	-61.93
CC(C)[N@@H+]1CCCC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029128994	0	58	0.0	-66.61	403.19	6.42	-60.19
CC(C)[N@H+]1CCCC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029128994	1	58	0.0	-64.94	400.28	6.81	-58.13
O=C(C[N@H+]1CCCC1CO)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129007	0	53	0.0	-74.24	384.26	2.52	-71.72
O=C(C[N@@H+]1CCCC1CO)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129007	1	53	0.0	-65.92	376.22	2.59	-63.33
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1CC2CCCC[N@@H+]2C1	REAL300029129029	0	56	0.0	-75.51	392.54	6.53	-68.98
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1CC2CCCC[N@H+]2C1	REAL300029129029	1	56	0.0	-72.08	393.53	6.53	-65.55
C[NH+]1CCC(C)(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029129035	0	55	0.0	-73.07	376.68	5.39	-67.68
C[NH+](C)CC1=CNC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029129041	0	53	0.0	-76.10	391.41	5.49	-70.61
CC(C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC(O)CC1	REAL300029129057	0	56	0.0	-73.90	389.29	2.46	-71.44
C=CCC(C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029129065	0	52	0.0	-65.21	371.08	5.39	-59.82
C[N@@H+]1CC(C)(C)CC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129078	0	55	0.0	-65.89	385.54	5.58	-60.31
C[N@H+]1CC(C)(C)CC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129078	1	55	0.0	-66.69	388.91	5.70	-60.99
C[NH+](C)CCCCCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129082	0	57	0.0	-69.46	417.33	7.00	-62.46
O=C(C[NH+]1CC2CC2C1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129090	0	50	0.0	-76.27	365.25	5.85	-70.42
CC1C[N@@H+]2CCN1C(C(=O)N1C3CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029129117	0	55	0.0	-72.69	377.10	2.56	-70.13
CC1C[N@H+]2CCN1C(C(=O)N1C3CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029129117	1	55	0.0	-80.80	378.71	2.68	-78.12
CCCC(C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029129118	0	54	0.0	-67.29	380.70	5.76	-61.53
C[NH+](C)C(C)(C)C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129122	0	51	0.0	-65.05	348.63	4.49	-60.56
C[N@@H+]1CCCCC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129164	0	52	0.0	-65.37	369.41	5.46	-59.91
C[N@H+]1CCCCC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129164	1	52	0.0	-67.08	359.42	4.98	-62.10
C[N@H+]1CC=C(CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029129204	0	53	0.0	-72.56	389.14	6.32	-66.24
C[N@@H+]1CC=C(CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029129204	1	53	0.0	-70.91	389.26	6.28	-64.63
O=C(CC1([NH+]2CCCC2)CC1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129213	0	56	0.0	-66.20	395.30	6.68	-59.52
C[NH+](C)CC1=CC=C(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029129262	1	52	0.0	-78.37	390.11	5.62	-72.75
C[NH+](C)CC1=CC=C(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C=N1	REAL300029129267	0	54	0.0	-70.27	402.66	5.71	-64.56
O=C(C=CC[NH+]1CCCC1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129279	0	53	0.0	-77.42	389.09	6.22	-71.20
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1CC[NH+](C2CC2)CC1	REAL300029129303	0	56	0.0	-69.05	398.45	6.81	-62.24
C[NH+](C)C1(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029129324	0	49	0.0	-74.57	346.22	4.21	-70.36
O=C(CC[NH+]1CCCC1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129326	0	52	0.0	-76.56	378.48	5.81	-70.75
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1C[NH+]2CCN1CC2	REAL300029129364	0	52	0.0	-80.58	361.55	1.97	-78.61
C[N@@H+]1CC2CC1(C(=O)N1C3CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029129374	0	50	0.0	-64.78	357.38	5.04	-59.74
C[N@H+]1CC2CC1(C(=O)N1C3CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029129374	1	50	0.0	-73.10	356.30	4.96	-68.14
O=C(C[N@@H+]1CC2CCC1C2)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129388	0	53	0.0	-67.29	373.85	5.82	-61.47
O=C(C[N@H+]1CC2CCC1C2)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129388	1	53	0.0	-67.16	374.16	5.85	-61.31
O=C(C=C1C[NH+]2CCC1CC2)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129429	0	54	0.0	-66.90	385.43	6.45	-60.45
O=C(C[N@@H+]1CC2C=CC1C2)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129439	1	51	0.0	-68.12	369.76	5.94	-62.18
O=C(C[N@H+]1CC2C=CC1C2)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129439	1	51	0.0	-71.19	369.67	5.81	-65.38
CC[NH+]1CCN(CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029129471	0	57	0.0	-68.19	406.84	4.12	-64.07
CC(C[NH+](C)C)C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129491	0	51	0.0	-76.29	362.88	4.85	-71.44
C[N@@H+]1CCCCC1CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129569	0	55	0.0	-67.99	381.90	6.16	-61.83
C[N@H+]1CCCCC1CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129569	1	55	0.0	-71.51	389.55	6.29	-65.22
CC1=C2C=C(C(=O)N3C4CCCC3CN(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300029129585	1	50	0.0	-75.10	376.42	7.52	-67.58
CC(C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CC(C)C1	REAL300029129586	0	52	0.0	-71.93	379.87	5.55	-66.38
CC1CC[N@@H+]1CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129589	1	49	0.0	-68.53	361.48	5.19	-63.34
CC1CC[N@H+]1CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129589	1	49	0.0	-67.79	355.57	4.77	-63.02
C[NH+](C)CC(O)CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129594	0	52	0.0	-74.01	382.54	2.99	-71.02
CC1C[N@H+](C)CC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029129622	1	53	0.0	-84.68	383.63	4.98	-79.70
CC1C[N@@H+](C)CC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029129622	1	53	0.0	-83.49	376.63	4.88	-78.61
O=C(CC[NH+]1CCC(O)CC1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129631	0	56	0.0	-80.29	404.80	3.14	-77.15
CCC[N@@H+]1CCCCC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129633	0	58	0.0	-65.80	396.60	6.43	-59.37
CCC[N@H+]1CCCCC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129633	1	58	0.0	-69.72	410.19	6.99	-62.73
C[NH+](C)[C@H]1C[C@H](C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029129712	0	52	0.0	-69.94	379.05	5.70	-64.24
CC(CC[NH+](C)C)C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129720	0	54	0.0	-80.47	390.97	5.83	-74.64
C[N@H+](CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300029129741	0	56	0.0	-70.03	400.45	3.37	-66.66
C[N@@H+](CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300029129741	1	56	0.0	-69.26	400.80	3.15	-66.11
C#CC[N@H+]1CCCCC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129750	1	54	0.0	-66.19	384.72	6.17	-60.02
C#CC[N@@H+]1CCCCC1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129750	1	54	0.0	-70.14	394.75	6.65	-63.49
C[NH+]1CCN(CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029129753	1	54	0.0	-73.79	389.15	3.41	-70.38
CC[NH+]1CCN(CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029129762	0	57	0.0	-68.19	406.84	4.12	-64.07
NC(=[NH2+])SCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129788	0	43	0.0	-70.41	338.00	0.98	-69.43
CCN1CCOCC1CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129825	0	56	0.0	-70.54	393.48	4.33	-66.21
CC[N@@H+]1CCOCC1CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129825	1	56	0.0	-76.42	393.94	4.43	-71.99
CC[N@H+]1CCOCC1CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129825	1	56	0.0	-76.42	393.94	4.43	-71.99
C[NH+](C)C1CCC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029129841	0	58	0.0	-65.37	396.67	6.40	-58.97
C[NH+](C)CCC1(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029129842	0	55	0.0	-76.87	401.07	6.29	-70.58
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029129844	0	58	0.0	-68.78	397.28	6.37	-62.41
C[N@@H+]1CC=CCC1CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129845	0	53	0.0	-72.27	381.37	6.17	-66.10
C[N@H+]1CC=CCC1CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129845	1	53	0.0	-72.27	381.37	6.17	-66.10
C[C@@H](OCC[NH+](C)C)C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129868	0	55	0.0	-66.51	399.55	5.41	-61.10
C[NH+]1C2CCC1CC(C(=O)N1C3CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029129896	0	56	0.0	-70.94	374.54	5.63	-65.31
CC(C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)N1CCSCC1	REAL300029130006	0	53	0.0	-75.46	386.21	5.83	-69.63
CC(C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCSCC1	REAL300029130006	1	53	0.0	-75.46	386.21	5.83	-69.63
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1([NH+]2CCCC2)CCC1	REAL300029130010	0	56	0.0	-69.49	386.38	6.21	-63.28
C[N@@H+]1CCC[C@H]1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029130019	0	49	0.0	-72.37	348.44	4.61	-67.76
C[N@H+]1CCC[C@H]1C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029130019	1	49	0.0	-72.37	348.44	4.61	-67.76
O=C(CC[N@H+]1CCC(F)C1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029130026	0	52	0.0	-73.13	384.52	5.80	-67.33
COC1C[N@H+](C)C(C)(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029130034	0	56	0.0	-69.68	390.70	3.65	-66.03
O=C(CC[NH+]1CCCCCC1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029130043	0	58	0.0	-78.99	403.79	6.59	-72.40
CC1C(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029130055	0	52	0.0	-68.80	372.81	5.31	-63.49
CC1C(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029130055	1	52	0.0	-68.80	372.81	5.31	-63.49
C[N@@H+]1CCCCC1CCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029130057	0	58	0.0	-73.61	410.71	6.89	-66.72
C[N@H+]1CCCCC1CCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029130057	1	58	0.0	-73.61	410.71	6.89	-66.72
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1CC[N@@H+]2CCOCC12	REAL300029130087	0	54	0.0	-79.64	386.14	4.12	-75.52
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1CC[N@H+]2CCOCC12	REAL300029130087	1	54	0.0	-79.64	386.14	4.12	-75.52
CN1CCOCC1CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029130109	0	53	0.0	-67.45	373.33	3.80	-63.65
C[N@@H+]1CCOCC1CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029130109	1	53	0.0	-71.53	373.02	3.66	-67.87
C[N@H+]1CCOCC1CC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029130109	1	53	0.0	-71.53	373.02	3.66	-67.87
CC1=C(C)NC(CCC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300029130117	0	53	0.0	-69.68	401.33	5.42	-64.26
CC1=C(C)[NH+]=C(CCC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300029130117	1	53	0.0	-69.68	401.33	5.42	-64.26
C[N@@H+]1CCCC1C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029130289	0	49	0.0	-72.58	348.20	4.55	-68.03
CN1CCOC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029130315	0	50	0.0	-75.01	363.37	4.25	-70.76
C[N@@H+]1CCOC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029130315	1	50	0.0	-68.51	355.72	4.02	-64.49
C[N@H+]1CCOC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029130315	1	50	0.0	-68.51	355.72	4.02	-64.49
CC1=NC=CN1CCCC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029130477	0	53	0.0	-68.09	400.73	6.93	-61.16
CC1=[NH+]C=CN1CCCC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029130477	1	53	0.0	-68.09	400.73	6.93	-61.16
C[NH+](C)CC1=CC=C(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300029130482	0	55	0.0	-73.67	407.71	7.19	-66.48
O=C(CCN1CCOCC1)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029130483	0	53	0.0	-82.14	385.09	4.06	-78.08
O=C(CC[NH+]1CCOCC1)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029130483	1	53	0.0	-82.14	385.09	4.06	-78.08
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C13CCC[NH+]1CCC3)C2	REAL300029130508	0	53	0.0	-69.99	355.53	5.56	-64.43
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC3=CN=CN3C=C1)C2	REAL300029130518	0	47	0.0	-78.14	362.68	7.32	-70.82
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC3=C[NH+]=CN3C=C1)C2	REAL300029130518	1	47	0.0	-78.14	362.68	7.32	-70.82
C[NH+](C)C1CCCC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029130578	0	58	0.0	-69.75	398.35	6.42	-63.33
C[N@@H+]1CCC(CC(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029130581	0	52	0.0	-73.81	376.10	5.64	-68.17
C[N@H+]1CCC(CC(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029130581	1	52	0.0	-73.81	376.10	5.64	-68.17
CCC(C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029130598	0	51	0.0	-73.22	351.28	4.81	-68.41
C[NH+](C)CCCCC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029130665	0	54	0.0	-77.58	395.19	6.20	-71.38
CC(C)C(C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029130687	0	54	0.0	-74.89	368.62	5.69	-69.20
CCC[N@H+](C)CCC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029130689	0	54	0.0	-73.93	391.35	5.99	-67.94
CCC[N@@H+](C)CCC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029130689	1	54	0.0	-73.93	391.35	5.99	-67.94
CCC[N@H+](C)CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029130695	0	51	0.0	-77.45	369.30	5.41	-72.04
CCC[N@@H+](C)CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029130695	1	51	0.0	-77.45	369.30	5.41	-72.04
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C13CC[N@H+](C1)CCC3)C2	REAL300029130719	0	53	0.0	-80.73	356.59	4.60	-76.13
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C13CC[N@@H+](C1)CCC3)C2	REAL300029130719	1	53	0.0	-80.73	356.59	4.60	-76.13
CCCCCC[N@H+](C)CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029130755	0	60	0.0	-73.81	433.76	7.77	-66.04
CCCCCC[N@@H+](C)CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029130755	1	60	0.0	-73.81	433.76	7.77	-66.04
CC[NH+](CC)C(C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300029130760	0	60	0.0	-70.38	397.88	6.61	-63.77
C[NH+]1CCC(OCC(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029130821	0	56	0.0	-80.15	409.69	6.16	-73.99
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1CC3CCCC[N@@H+]3C1)C2	REAL300029130866	0	56	0.0	-78.44	382.75	6.10	-72.34
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1CC3CCCC[N@H+]3C1)C2	REAL300029130866	1	56	0.0	-77.31	393.88	6.52	-70.79
C[NH+](C)CC1(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029130877	0	52	0.0	-77.35	366.27	5.17	-72.18
CC1=[NH+]C=C2CCC(C(=O)N3CC4CCCC(C3)N4C(=O)C3=CC(=O)[N-]O3)CN21	REAL300029130878	1	54	0.0	-64.17	394.52	6.46	-57.71
CC(C)[NH+]1CCC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029130889	0	58	0.0	-70.81	408.86	6.77	-64.04
CC[N@H+](C)CCC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029130914	0	51	0.0	-79.00	369.87	5.26	-73.74
CC[N@@H+](C)CCC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029130914	1	51	0.0	-73.20	369.87	5.25	-67.95
CC(C)(C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300029130940	0	58	0.0	-63.88	381.36	5.90	-57.98
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1C[NH+]3CCC1CC3)C2	REAL300029130950	0	53	0.0	-80.11	367.27	5.52	-74.59
C[NH+]1CCC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029131030	0	52	0.0	-73.16	371.29	5.45	-67.71
CC(C)[C@H](C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029131048	0	54	0.0	-75.05	368.95	5.67	-69.38
CC[NH+](CC)CC(F)C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029131143	0	54	0.0	-68.77	389.57	5.86	-62.91
CC(C)C[N@@H+]1CCC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029131178	0	58	0.0	-75.92	412.91	6.86	-69.06
CC(C)C[N@H+]1CCC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029131178	1	58	0.0	-75.47	412.81	6.88	-68.59
C[NH+](C)C1(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029131182	0	52	0.0	-79.15	335.84	2.63	-76.52
CCC(C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300029131213	0	57	0.0	-68.31	390.70	6.19	-62.12
CC1CCC[N@@H+]1CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029131233	0	52	0.0	-74.48	375.44	5.80	-68.68
CC1CCC[N@H+]1CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029131233	1	52	0.0	-69.06	375.18	5.76	-63.30
CC(C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300029131303	0	58	0.0	-66.00	395.31	6.29	-59.71
CC(C)[N@@H+]1CCCCC1C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029131305	0	58	0.0	-63.00	392.86	6.21	-56.79
CC(C)[N@H+]1CCCCC1C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029131305	1	58	0.0	-64.74	390.84	6.15	-58.59
CC(C)[N@@H+]1CCCC1C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029131326	0	55	0.0	-64.66	379.50	5.68	-58.98
CC(C)[N@H+]1CCCC1C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029131326	1	55	0.0	-63.08	360.83	5.34	-57.74
CC(C)[N@@H+]1CCCC1CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029131332	0	58	0.0	-68.44	402.87	6.41	-62.03
CC(C)[N@H+]1CCCC1CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029131332	1	58	0.0	-68.83	409.12	6.67	-62.16
CC(C)[C@@H](C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029131347	0	54	0.0	-72.82	366.83	5.03	-67.79
CC1CC[N@H+](CC(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029131368	0	52	0.0	-76.68	375.31	5.74	-70.94
CC1CC[N@@H+](CC(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029131368	1	52	0.0	-70.97	376.30	5.66	-65.31
CC1=[NH+]C=C2CC(C(=O)N3CC4CCCC(C3)N4C(=O)C3=CC(=O)[N-]O3)CCN21	REAL300029131370	1	54	0.0	-65.24	394.87	6.56	-58.68
CC1(C)CC[N@H+](CC(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029131373	0	55	0.0	-70.61	394.88	6.24	-64.37
CC1(C)CC[N@@H+](CC(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029131373	1	55	0.0	-71.19	394.73	6.24	-64.95
C[N@H+](CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029131374	0	57	0.0	-71.44	398.07	6.46	-64.98
C[N@@H+](CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029131374	1	57	0.0	-71.51	400.25	6.63	-64.88
CC[C@@H](C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029131383	0	51	0.0	-73.30	351.46	4.76	-68.54
CN(CCC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CC=[NH+]C=C1	REAL300029131510	0	54	0.0	-72.64	404.55	5.72	-66.92
CC1=[NH+]C=CN1CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029131594	1	47	0.0	-67.41	358.44	5.57	-61.84
CC(C[NH+]1CCOCC1)C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029131596	0	56	0.0	-70.66	395.89	4.50	-66.16
O=C(CCC[NH+]1CCCCC1)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029131613	0	58	0.0	-71.88	415.28	7.26	-64.62
C[NH+](C)CC1=CC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)=NO1	REAL300029131631	1	51	0.0	-80.06	385.00	5.28	-74.78
CC1=C(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300029131632	0	50	0.0	-68.17	377.45	7.59	-60.58
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029131667	1	53	0.0	-65.81	399.42	6.77	-59.04
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1CCCC3CCC[N@@H+]31)C2	REAL300029131703	0	56	0.0	-68.13	392.01	6.62	-61.51
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1CCCC3CCC[N@H+]31)C2	REAL300029131703	1	56	0.0	-71.77	383.79	6.11	-65.66
CC[N@@H+]1CCOC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029131725	1	53	0.0	-82.00	381.16	4.92	-77.08
CC[N@H+]1CCOC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029131725	1	53	0.0	-67.27	373.63	4.71	-62.56
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CN3C=[NH+]C=C3C=C1)C2	REAL300029131778	0	47	0.0	-75.48	362.46	7.27	-68.21
CC1=C[NH+]=CN1CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029131783	1	47	0.0	-70.88	359.79	6.33	-64.55
C[C@@H]1[C@H](C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029131799	0	52	0.0	-72.58	365.31	4.98	-67.60
C[C@@H]1[C@H](C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029131799	1	52	0.0	-69.61	369.26	5.81	-63.80
CC[C@@H]1[C@@H](C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029131804	0	55	0.0	-72.24	378.68	5.42	-66.82
CC[C@@H]1[C@@H](C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029131804	1	55	0.0	-74.59	387.25	5.99	-68.60
CC1CCC(C)[NH+]1CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029131817	0	55	0.0	-67.31	386.88	5.99	-61.32
O=C(CCC[NH+]1CCCC1)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029131823	0	55	0.0	-71.73	398.00	6.45	-65.28
C[NH+](C)CC1=CC=CC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029131824	0	55	0.0	-77.70	406.20	7.12	-70.58
C#CC[NH+]1CCC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029131830	0	54	0.0	-74.12	396.22	6.64	-67.48
O=C(CC[NH+]1CCCCC1)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029131831	0	55	0.0	-78.49	393.77	6.47	-72.02
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029131835	0	55	0.0	-67.11	393.51	7.18	-59.93
CC[N@@H+]1CCCCC1C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029131839	0	55	0.0	-65.68	384.87	6.06	-59.62
CC[N@H+]1CCCCC1C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029131839	1	55	0.0	-67.26	376.71	5.67	-61.59
C[NH+](C)C(C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300029131842	1	55	0.0	-67.86	398.32	7.18	-60.68
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029131847	1	54	0.0	-69.67	401.66	8.06	-61.61
C[NH+](C)C1(CC(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029131883	0	58	0.0	-80.45	394.12	6.44	-74.01
C[N@H+](CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029132048	0	52	0.0	-70.11	376.19	5.97	-64.14
C[N@@H+](CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029132048	1	52	0.0	-70.34	376.27	5.99	-64.35
CC(C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300029132073	0	58	0.0	-62.81	389.30	6.11	-56.70
O=C(CCCC[NH+]1CCCC1)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029132086	0	58	0.0	-70.79	421.09	7.35	-63.44
C[N@H+](CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029132088	1	55	0.0	-76.60	406.69	7.60	-69.00
C[N@@H+](CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029132088	1	55	0.0	-76.77	406.70	7.60	-69.17
C[NH+]1CCC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029132099	0	52	0.0	-73.16	371.29	5.45	-67.71
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029132144	0	49	0.0	-73.88	347.96	4.47	-69.41
C[N@H+]1CCC[C@@H]1C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029132144	1	49	0.0	-67.78	354.65	4.86	-62.92
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029132168	1	51	0.0	-71.84	375.34	5.74	-66.10
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029132168	1	51	0.0	-72.16	377.88	6.02	-66.14
C[N@@H+]1CCCC1CCC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029132174	0	55	0.0	-73.49	393.37	6.38	-67.11
C[N@H+]1CCCC1CCC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029132174	1	55	0.0	-75.16	391.51	6.07	-69.09
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C13CCC[NH+](CCC1)C3)C2	REAL300029132185	0	56	0.0	-75.62	370.46	5.49	-70.13
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1CCC3CCCC[N@@H+]31)C2	REAL300029132192	0	56	0.0	-70.99	384.53	6.32	-64.67
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1CCC3CCCC[N@H+]31)C2	REAL300029132192	1	56	0.0	-71.58	389.24	6.45	-65.13
CCC[N@@H+]1CCCC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029132265	0	58	0.0	-70.46	410.71	6.84	-63.62
CCC[N@H+]1CCCC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029132265	1	58	0.0	-70.24	410.46	6.80	-63.44
CC(C)[N@@H+]1CCOC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029132282	1	56	0.0	-72.67	390.59	5.25	-67.42
CC(C)[N@H+]1CCOC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029132282	1	56	0.0	-71.55	398.12	5.41	-66.14
C[N@@H+]1CCCCC1C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029132313	0	52	0.0	-74.34	359.14	5.04	-69.30
C[N@H+]1CCCCC1C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029132313	1	52	0.0	-69.22	358.92	5.00	-64.22
CC(C)C[N@@H+]1CCCC1C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029132337	0	58	0.0	-66.79	412.66	6.99	-59.80
CC(C)C[N@H+]1CCCC1C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029132337	1	58	0.0	-72.52	411.26	7.03	-65.49
O=C(C[NH+]1CCC(CO)CC1)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029132352	0	56	0.0	-79.07	403.24	3.19	-75.88
CC1C(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029132398	0	52	0.0	-76.68	365.08	5.56	-71.12
CC1C(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029132398	1	52	0.0	-76.73	366.14	5.37	-71.36
C[N@@H+]1CCCCC1CCC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029132400	0	58	0.0	-72.74	403.79	6.78	-65.96
C[N@H+]1CCCCC1CCC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029132400	1	58	0.0	-79.74	403.74	6.77	-72.97
NC1=[NH+]C2=C(C=C1C(=O)N1CC3CCCC(C1)N3C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029132432	1	52	0.0	-61.36	385.05	4.78	-56.58
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029132496	0	55	0.0	-66.84	371.27	5.01	-61.83
CC(C)(C)[N@H+]1CCC1C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029132496	1	55	0.0	-67.40	356.00	4.70	-62.70
C[C@@H](C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029132515	0	48	0.0	-73.88	338.85	4.12	-69.76
C[NH+](C)CC1=CC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)=CC=N1	REAL300029132529	1	54	0.0	-72.64	401.28	5.25	-67.39
C=CCC(C)(C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029132533	0	55	0.0	-65.12	366.95	5.26	-59.86
O=C(CC[NH+]1CCCC1)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029132558	0	52	0.0	-72.64	378.10	5.75	-66.89
C[N@H+](CCO)CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029132568	1	49	0.0	-73.02	358.12	1.43	-71.59
C[N@@H+](CCO)CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029132568	1	49	0.0	-71.63	357.95	1.40	-70.23
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1C[N@@H+]3CCN1CCC3)C2	REAL300029132606	0	55	0.0	-72.18	377.68	3.68	-68.50
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1C[N@H+]3CCN1CCC3)C2	REAL300029132606	1	55	0.0	-82.48	373.05	3.40	-79.08
CC(C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300029132628	1	53	0.0	-76.25	383.47	5.87	-70.38
C[N@H+]1CC=C(CC(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029132668	0	53	0.0	-73.82	389.11	6.38	-67.44
C[N@@H+]1CC=C(CC(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029132668	1	53	0.0	-72.10	389.15	6.38	-65.72
C[S+](C)CCC(O)C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029132683	0	51	0.0	-77.90	390.45	3.43	-74.47
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029132702	0	53	0.0	-68.06	358.24	0.58	-67.48
C[N@H+]1CC(O)CC1(C)C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029132702	1	53	0.0	-67.32	362.23	1.21	-66.11
CN1CC[N@H+](C)CC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029132715	0	57	0.0	-68.71	399.16	3.88	-64.83
CN1CC[N@@H+](C)CC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029132715	1	57	0.0	-69.24	396.23	3.96	-65.28
CC(C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300029132716	0	56	0.0	-72.26	388.70	2.86	-69.40
CC(C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[N@H+]1CCCC(O)C1	REAL300029132716	1	56	0.0	-68.29	394.17	2.94	-65.35
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029132743	0	52	0.0	-69.73	381.05	4.46	-65.27
C[N@@H+]1CCCC(O)(CC(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029132749	0	56	0.0	-72.52	390.60	4.17	-68.35
C[N@H+]1CCCC(O)(CC(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029132749	1	56	0.0	-68.71	400.20	4.38	-64.33
CC1C[NH+](CC(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029132754	1	49	0.0	-72.24	361.34	5.08	-67.16
CC[N@@H+]1CCCC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029132761	0	55	0.0	-68.93	376.73	6.14	-62.79
CC[N@H+]1CCCC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029132761	1	55	0.0	-70.43	388.91	6.08	-64.35
NC1=[NH+]C=CC=C1CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029132767	0	48	0.0	-67.55	364.28	3.86	-63.69
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1CCC[N@@H+]1C1CC1)C2	REAL300029132780	0	53	0.0	-69.59	382.42	6.24	-63.35
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1CCC[N@H+]1C1CC1)C2	REAL300029132780	1	53	0.0	-65.39	383.91	6.31	-59.08
O=C(C=CC[NH+]1CCCC1)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029132823	0	53	0.0	-77.91	389.29	6.29	-71.62
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1CC[NH+](C3CC3)CC1)C2	REAL300029132846	0	56	0.0	-76.73	396.39	6.69	-70.04
CC[N@H+](C)CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029132893	0	48	0.0	-72.09	347.77	4.68	-67.41
O=C(CN1CC2C=CC1C2)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029132953	0	51	0.0	-67.69	368.58	5.85	-61.84
O=C(C[N@@H+]1CC2C=CC1C2)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029132953	1	51	0.0	-72.12	369.64	5.89	-66.23
O=C(C[N@H+]1CC2C=CC1C2)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029132953	1	51	0.0	-72.12	369.64	5.89	-66.23
CC1=CC=C(NCCC(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)N=C1	REAL300029132975	0	54	0.0	-71.39	408.64	5.44	-65.95
CC1=CC=C(NCCC(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)[NH+]=C1	REAL300029132975	1	54	0.0	-71.39	408.64	5.44	-65.95
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C13CCC[N@@H+]1CCCC3)C2	REAL300029133081	0	56	0.0	-68.00	363.43	5.15	-62.85
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C13CCC[N@H+]1CCCC3)C2	REAL300029133081	1	56	0.0	-68.00	363.43	5.15	-62.85
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C13CCC[N@@H+]1CC=CC3)C2	REAL300029133090	0	54	0.0	-67.04	359.97	5.11	-61.93
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C13CCC[N@H+]1CC=CC3)C2	REAL300029133090	1	54	0.0	-67.04	359.97	5.11	-61.93
CC(OCC[NH+](C)C)C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029133101	0	55	0.0	-72.70	400.97	5.56	-67.14
C[NH+](C)CCOCCC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029133111	0	55	0.0	-74.01	406.63	4.85	-69.16
COCCN(C)CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029133113	0	52	0.0	-71.26	380.20	3.80	-67.46
COCC[N@H+](C)CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029133113	1	52	0.0	-73.22	380.38	3.84	-69.38
COCC[N@@H+](C)CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029133113	1	52	0.0	-73.22	380.38	3.84	-69.38
CC(CCC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029133119	0	54	0.0	-75.96	386.31	5.79	-70.17
CC[N@H+](CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029133146	0	52	0.0	-68.38	375.65	6.05	-62.33
CC1C[N@@H+]2CCN1C(C(=O)N1CC3CCCC(C1)N3C(=O)C1=CC(=O)[N-]O1)C2	REAL300029133162	0	55	0.0	-71.97	371.47	4.94	-67.03
C[N@@H+]1CC2CC1(C(=O)N1CC3CCCC(C1)N3C(=O)C1=CC(=O)[N-]O1)C2	REAL300029133187	0	50	0.0	-66.54	348.08	4.84	-61.70
CC1=NC(N)=CC=C1C=CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029133197	0	52	0.0	-73.64	393.69	4.70	-68.94
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029133197	1	52	0.0	-73.64	393.69	4.70	-68.94
O=C(C[N@@H+]1CC2CCC1C2)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029133204	0	53	0.0	-73.29	374.34	6.00	-67.29
O=C(C[N@H+]1CC2CCC1C2)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029133204	1	53	0.0	-73.29	374.34	6.00	-67.29
CC(C[NH+](C)C)C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029133226	0	51	0.0	-73.05	365.07	5.02	-68.03
CCN1CCC1C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029133278	0	49	0.0	-68.85	350.47	4.55	-64.30
CC[N@@H+]1CCC1C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029133278	1	49	0.0	-75.44	361.07	4.97	-70.47
CC[N@H+]1CCC1C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029133278	1	49	0.0	-75.44	361.07	4.97	-70.47
CC(C)[N@@H+]1CCCC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029133291	0	58	0.0	-69.00	405.53	6.57	-62.43
CC(C)[N@H+]1CCCC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029133291	1	58	0.0	-69.00	405.53	6.57	-62.43
CCC(C)(C)[NH2+]C(C)C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029133306	0	57	0.0	-67.70	393.02	4.37	-63.33
C#CCN1CCCCC1C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029133350	0	54	0.0	-68.17	384.18	6.24	-61.93
C#CC[N@H+]1CCCCC1C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029133350	1	54	0.0	-73.02	384.24	6.29	-66.73
C#CC[N@@H+]1CCCCC1C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029133350	1	54	0.0	-73.02	384.24	6.29	-66.73
CNC1=NC(C)=CC=C1C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029133351	0	51	0.0	-67.53	381.14	4.57	-62.96
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029133351	1	51	0.0	-67.53	381.14	4.57	-62.96
CCCC(C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029133361	0	54	0.0	-73.67	372.77	5.56	-68.11
C[NH+](C)C(C)(C)C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029133368	0	51	0.0	-64.76	343.86	4.49	-60.27
CC(CC[NH+](C)C)C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029133387	0	54	0.0	-72.70	386.69	5.62	-67.08
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C13CC(C1)C[N@@H+]3C1CC1)C2	REAL300029133458	0	54	0.0	-71.12	378.39	6.86	-64.26
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029133497	0	55	0.0	-69.15	385.37	5.65	-63.50
C[N@H+]1CC(C)(C)CC1C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029133497	1	55	0.0	-69.15	385.37	5.65	-63.50
C[NH+](C)CCCCCC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029133502	0	57	0.0	-75.73	416.69	6.98	-68.75
O=C(CC[NH+]1CCC(O)CC1)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029133506	0	56	0.0	-76.54	404.85	3.12	-73.42
CCC[N@@H+]1CCCCC1C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029133510	0	58	0.0	-70.68	406.95	6.86	-63.82
CCC[N@H+]1CCCCC1C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029133510	1	58	0.0	-70.68	406.95	6.86	-63.82
CN1CCN(CC(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029133520	0	54	0.0	-74.74	388.92	3.47	-71.27
C[NH+]1CCN(CC(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029133520	1	54	0.0	-74.74	388.92	3.47	-71.27
CC1CN(C)CC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)O1	REAL300029133622	0	53	0.0	-68.56	377.14	4.81	-63.75
CC1C[N@H+](C)CC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)O1	REAL300029133622	1	53	0.0	-74.83	384.60	5.00	-69.83
CC1C[N@@H+](C)CC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)O1	REAL300029133622	1	53	0.0	-74.83	384.60	5.00	-69.83
CCC1CCC[N@H+](CC(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029133655	0	58	0.0	-71.65	410.72	7.09	-64.56
CCC1CCC[N@@H+](CC(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029133655	1	58	0.0	-71.65	410.72	7.09	-64.56
O=C(CC1([NH+]2CCCC2)CC1)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029133692	0	56	0.0	-73.62	395.13	6.76	-66.86
C[N@@H+]1CCCCC1C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029133731	0	52	0.0	-69.22	358.92	5.00	-64.22
C[N@@H+]1CCC(=CC(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029133854	0	50	0.0	-78.55	366.60	5.59	-72.96
C[N@H+]1CCC(=CC(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029133854	1	50	0.0	-78.80	367.68	5.56	-73.24
O=C(CNC1=CC=[NH+]C=C1)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029133859	0	48	0.0	-68.86	365.48	3.25	-65.61
CC[NH+]1CCN(CC(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029133916	0	57	0.0	-73.72	406.15	4.11	-69.61
O=C(C=C1C[NH+]2CCC1CC2)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029133919	0	54	0.0	-68.21	385.42	6.42	-61.79
C[NH+](C)C1(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029133957	0	55	0.0	-67.82	357.58	4.96	-62.86
C[N@H+](CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029133968	0	56	0.0	-73.52	400.88	3.19	-70.33
C[N@@H+](CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029133968	1	56	0.0	-74.73	400.41	3.38	-71.35
CCC1C[NH+](CC(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029133974	1	52	0.0	-78.83	382.71	5.74	-73.09
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1([NH+]3CCCC3)CCC1)C2	REAL300029133978	0	56	0.0	-63.12	377.21	5.83	-57.29
C[N@@H+]1CCC[C@H]1C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029133992	0	49	0.0	-67.98	352.55	4.83	-63.15
C[N@H+]1CCC[C@H]1C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029133992	1	49	0.0	-73.28	348.33	4.54	-68.74
CC[N@@H+]1CCOCC1CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029134023	0	56	0.0	-72.86	393.53	4.36	-68.50
NC1=NC2=CC(C(=O)N3CC4CCCC(C3)N4C(=O)C3=CC(=O)[N-]O3)=CC=C2N1	REAL300029134113	0	49	0.0	-73.40	371.72	4.90	-68.50
NC1=[NH+]C2=CC(C(=O)N3CC4CCCC(C3)N4C(=O)C3=CC(=O)[N-]O3)=CC=C2N1	REAL300029134113	1	49	0.0	-73.40	371.72	4.90	-68.50
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029134151	0	52	0.0	-70.06	379.05	5.70	-64.36
C[NH+](C)C1CCC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029134166	0	58	0.0	-65.43	398.39	6.47	-58.96
C[NH+](C)CCC1(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029134167	0	55	0.0	-76.74	384.55	5.83	-70.91
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029134169	0	58	0.0	-68.30	398.31	6.38	-61.92
C[N@@H+]1CC=CCC1CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029134170	0	53	0.0	-65.82	375.95	6.02	-59.80
C[N@H+]1CC=CCC1CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029134170	1	53	0.0	-65.82	375.95	6.02	-59.80
CC1=CC(C=CC(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)=CN=C1N	REAL300029134220	0	52	0.0	-69.00	394.22	5.06	-63.94
CC1=CC(C=CC(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)=C[NH+]=C1N	REAL300029134220	1	52	0.0	-69.00	394.22	5.06	-63.94
C[NH+](C)CCOCC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029134233	0	52	0.0	-74.94	385.67	5.14	-69.80
CCCCC[N@H+](C)CCC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029134239	0	60	0.0	-74.92	434.35	7.56	-67.36
CCCCC[N@@H+](C)CCC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029134239	1	60	0.0	-74.92	434.35	7.56	-67.36
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)O1	REAL300029134251	0	56	0.0	-68.51	404.60	5.88	-62.63
[NH2+]=C1SC=CN1CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029134276	0	45	0.0	-67.18	357.10	4.18	-63.00
C[C@@H](OCC[NH+](C)C)C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029134350	0	55	0.0	-73.08	401.60	5.60	-67.48
O=C(CC[NH+]1CCCCCC1)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029134394	0	58	0.0	-80.62	403.76	6.66	-73.96
O=C(C[NH+]1CCCCC1)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029134398	0	52	0.0	-76.76	371.80	5.85	-70.91
C[N@@H+]1CCCC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029134400	0	52	0.0	-77.95	374.37	5.58	-72.37
C[N@H+]1CCCC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029134400	1	52	0.0	-69.17	364.76	5.58	-63.59
O=C(C[NH+]1CCC(CO)CC1)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029134401	0	56	0.0	-79.07	403.24	3.19	-75.88
O=C(C[NH+]1CCCCCC1)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029134404	0	55	0.0	-76.06	381.14	6.04	-70.02
CN1C=C[N+](CC(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029134409	0	47	0.0	-73.34	361.06	7.52	-65.82
C[NH+](C)CC1=CC=C(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)O1	REAL300029134427	1	52	0.0	-81.03	390.29	5.63	-75.40
C[NH+](C)CC1=CC=C(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C=N1	REAL300029134433	0	54	0.0	-78.38	401.48	5.12	-73.26
O=C(C[NH+]1CCC(O)CC1)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029134447	1	53	0.0	-81.37	382.58	2.53	-78.84
C[N@@H+](CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029134452	1	49	0.0	-74.57	359.19	5.43	-69.14
CC(C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300029134454	1	57	0.0	-73.13	397.05	3.47	-69.66
O=C(CC[N@@H+]1CCC(F)C1)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029134457	1	52	0.0	-77.86	384.14	5.84	-72.02
COC1C[N@@H+](C)C(C)(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029134468	1	56	0.0	-73.04	382.62	3.61	-69.43
CC(CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029134488	0	54	0.0	-78.35	387.02	6.06	-72.29
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1CC[N@@H+]3CCOCC13)C2	REAL300029134504	0	54	0.0	-73.78	378.52	4.23	-69.55
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1CC[N@H+]3CCOCC13)C2	REAL300029134504	1	54	0.0	-79.72	385.56	4.14	-75.58
CC1=[NH+]C=C2C=CC(C(=O)N3CC4CCCC(C3)N4C(=O)C3=CC(=O)[N-]O3)=CN21	REAL300029134509	0	50	0.0	-70.00	386.06	7.15	-62.85
CN1CCOCC1CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029134526	0	53	0.0	-74.23	372.87	3.73	-70.50
C[N@@H+]1CCOCC1CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029134526	1	53	0.0	-76.69	379.97	3.88	-72.81
C[N@H+]1CCOCC1CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029134526	1	53	0.0	-74.23	372.87	3.73	-70.50
CC[NH+]1CCN(CC(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029134534	0	57	0.0	-73.72	406.15	4.11	-69.61
CC1=CC(N)=[NH+]C=C1C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029134589	1	48	0.0	-66.79	358.08	3.13	-63.66
NC1=CC=C(CCC(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C=[NH+]1	REAL300029134592	0	51	0.0	-74.94	388.78	4.56	-70.38
CC1(O)CC[N@@H+](CC(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029134633	1	53	0.0	-72.51	386.25	2.39	-70.12
C[NH+]1CC(CC(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029134668	0	49	0.0	-73.42	361.06	4.86	-68.56
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1CC[N@H+]1C1CCCC1)C2	REAL300029134673	1	56	0.0	-74.79	390.21	6.27	-68.52
C[NH+](C)CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029134681	0	45	0.0	-78.10	329.83	4.00	-74.10
C[N@H+](CCO)CCC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029134710	0	52	0.0	-72.66	380.21	2.03	-70.63
C[N@@H+](CCO)CCC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029134710	1	52	0.0	-77.87	380.15	2.06	-75.81
C[C@@H](C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029134711	0	48	0.0	-73.88	338.85	4.12	-69.76
C[N@@H+]1CCCCC1CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029134733	0	55	0.0	-74.01	388.60	6.31	-67.70
C[N@H+]1CCCCC1CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029134733	1	55	0.0	-65.18	381.50	6.08	-59.10
CC1=C2C=C(C(=O)N3CC4CCCC(C3)N4C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029134755	1	50	0.0	-69.26	384.56	7.91	-61.35
CC(C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300029134756	0	52	0.0	-68.86	375.52	5.38	-63.48
CC1CCN1CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029134760	0	49	0.0	-74.39	355.58	4.80	-69.59
CC1CC[N@@H+]1CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029134760	1	49	0.0	-74.78	355.55	4.79	-69.99
CC1CC[N@H+]1CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029134760	1	49	0.0	-74.39	355.58	4.80	-69.59
C[NH+](C)CC=CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029134774	0	49	0.0	-75.43	364.48	5.25	-70.18
CC1(C)C[NH+](CC(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029134787	1	52	0.0	-72.05	380.38	5.59	-66.46
CC1=C(C)[NH+]=C(CCC(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)N1	REAL300029134806	1	53	0.0	-66.18	400.01	5.32	-60.86
CC1=C2C=C(C(=O)N3CC4CCCC(C3)N4C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029134817	1	50	0.0	-69.26	384.56	7.91	-61.35
C[NH+](C)CCSCC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029134827	0	52	0.0	-79.57	396.73	6.02	-73.55
O=C(C[N@H+]1CCCC1CO)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029134853	0	53	0.0	-67.51	375.66	2.52	-64.99
O=C(C[N@@H+]1CCCC1CO)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029134853	1	53	0.0	-72.84	375.97	2.55	-70.29
CC[NH+](CC)CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029134857	0	51	0.0	-75.15	361.31	5.05	-70.10
C[N@H+](CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029134868	0	53	0.0	-83.19	389.27	6.23	-76.96
C[N@@H+](CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029134868	1	53	0.0	-77.71	389.05	6.22	-71.49
O=C(C[NH+]1CCC1)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029134870	1	46	0.0	-77.49	340.56	4.41	-73.08
CC[NH+](CC)CCC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029134921	0	54	0.0	-78.33	383.52	5.71	-72.62
C[NH+](C)CC1=CNC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029134988	0	53	0.0	-71.00	392.93	5.55	-65.45
CC(C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300029135007	0	56	0.0	-76.73	396.82	2.81	-73.92
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1CC3COCC[N@@H+]3C1)C2	REAL300029135013	0	54	0.0	-78.47	385.77	4.16	-74.31
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1CC3COCC[N@H+]3C1)C2	REAL300029135013	1	54	0.0	-72.33	387.04	4.22	-68.11
CC(C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300029135028	1	49	0.0	-68.40	355.26	4.87	-63.53
CCC(CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029135035	0	57	0.0	-78.92	400.63	6.57	-72.35
NC1=CC=C(C=CC(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C=[NH+]1	REAL300029135042	0	49	0.0	-76.26	376.16	4.24	-72.02
C[NH+](C)CC(C)(C)C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029135043	0	54	0.0	-68.89	356.81	4.93	-63.96
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029135107	0	52	0.0	-73.98	359.31	5.13	-68.85
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029135107	1	52	0.0	-67.80	367.48	5.47	-62.33
CC1CN2CC[N@@H+]1CC2C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029135122	0	55	0.0	-70.90	377.79	2.57	-68.33
CC1CN2CC[N@H+]1CC2C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029135122	1	55	0.0	-68.88	379.57	2.65	-66.23
C[NH+](C)CC(O)CC(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029135143	0	52	0.0	-81.76	382.53	3.04	-78.72
C[NH+]1C2CCC1CC(C(=O)N1CC3CCCC(C1)N3C(=O)C1=CC(=O)[N-]O1)C2	REAL300029135146	0	56	0.0	-69.59	386.26	6.00	-63.59
C=CCC(C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029135179	0	52	0.0	-66.93	370.47	5.41	-61.52
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1CC3CCCC[N@@H+]3C1)C2	REAL300029135189	0	56	0.0	-78.44	382.75	6.10	-72.34
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1CC3CCCC[N@H+]3C1)C2	REAL300029135189	1	56	0.0	-77.31	393.88	6.52	-70.79
C[NH+]1CCC(C)(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029135200	0	55	0.0	-68.30	369.60	5.29	-63.01
C[NH+]1CCC(O)(CC(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029135202	0	56	0.0	-78.26	400.35	4.33	-73.93
CC1=C2C=C(C(=O)N3C4CCCC3CN(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300029135284	1	50	0.0	-75.10	376.42	7.52	-67.58
C[NH+](C)CCSCC(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029135293	0	52	0.0	-72.48	396.97	5.96	-66.52
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1CC2COCC[N@@H+]2C1	REAL300029135301	0	54	0.0	-69.08	384.46	4.17	-64.91
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1CC2COCC[N@H+]2C1	REAL300029135301	1	54	0.0	-77.38	383.22	4.05	-73.33
C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029135464	0	48	0.0	-60.36	361.55	4.39	-55.97
C[N@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029135464	1	48	0.0	-66.87	350.56	3.86	-63.01
C[N@@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029135488	1	49	0.0	-48.11	361.79	3.35	-44.76
C[N@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029135488	1	49	0.0	-88.86	356.45	3.44	-85.42
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[NH+]1CCCCCC1	REAL300029135644	0	57	0.0	-72.87	394.80	5.66	-67.21
CC(C)[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029135646	0	57	0.0	-58.13	405.91	5.96	-52.17
CC(C)[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029135646	1	57	0.0	-70.55	394.85	5.47	-65.08
CC(C)[N@@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029135666	0	54	0.0	-69.47	385.06	5.14	-64.33
CC(C)[N@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029135666	1	54	0.0	-64.85	388.19	5.22	-59.63
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300029135682	0	55	0.0	-40.35	395.31	5.86	-34.49
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300029135682	1	55	0.0	-63.84	400.98	6.14	-57.70
CC(C)C1=[NH+]C=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029135700	1	52	0.0	-54.95	400.47	6.24	-48.71
CC1=[NH+]C=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029135725	1	46	0.0	-74.57	361.16	4.97	-69.60
CC(C[NH+]1CCOCC1)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029135726	0	55	0.0	-73.90	394.77	3.73	-70.17
CC1(F)CN(C(=O)CCC[NH+]2CCCCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029135741	0	57	0.0	-78.26	418.12	6.64	-71.62
CC(C)(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[NH+]1CCCCC1	REAL300029135755	0	57	0.0	-71.63	383.87	5.21	-66.42
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300029135763	0	52	0.0	-93.67	369.44	4.87	-88.80
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300029135798	0	55	0.0	-70.88	378.00	5.35	-65.53
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300029135798	1	55	0.0	-78.86	384.54	5.63	-73.23
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC[N@@H+]1C	REAL300029135808	0	51	0.0	-65.90	372.66	4.81	-61.09
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC[N@H+]1C	REAL300029135808	1	51	0.0	-65.52	378.05	4.82	-60.70
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC[N@@H+]1C	REAL300029135812	0	54	0.0	-76.53	385.34	4.84	-71.69
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC[N@H+]1C	REAL300029135812	1	54	0.0	-61.13	395.57	5.39	-55.74
CC[N@@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029135821	1	52	0.0	-49.03	379.52	4.13	-44.90
CC[N@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029135821	1	52	0.0	-66.79	385.63	4.36	-62.43
CC[NH+](CC)CC(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029135860	0	53	0.0	-83.07	390.15	5.06	-78.01
CC1CCC(C)[NH+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029135919	0	54	0.0	-72.46	388.58	5.21	-67.25
CC1(F)CN(C(=O)CCC[NH+]2CCCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029135925	0	54	0.0	-77.73	400.85	5.83	-71.90
C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC1	REAL300029135929	0	53	0.0	-76.35	391.31	5.75	-70.60
CC1(F)CN(C(=O)CC[NH+]2CCCCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029135930	0	54	0.0	-77.65	396.62	5.86	-71.79
CC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029135934	0	54	0.0	-80.05	382.63	5.30	-74.75
CC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029135934	1	54	0.0	-67.26	378.72	4.86	-62.40
CC(C)C[N@@H+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029135946	0	57	0.0	-56.89	420.14	6.50	-50.39
CC(C)C[N@H+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029135946	1	57	0.0	-71.52	413.56	6.20	-65.32
C[NH+](C)C1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CCC1	REAL300029135949	0	51	0.0	-65.59	364.88	4.60	-60.99
CC(C)[N@@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029135951	0	57	0.0	-56.96	415.32	6.25	-50.71
CC(C)[N@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029135951	1	57	0.0	-63.26	399.98	5.90	-57.36
CC(C)[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[NH+](C)C	REAL300029135962	0	53	0.0	-74.83	369.72	4.91	-69.92
C[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)C1CCC1	REAL300029135999	0	51	0.0	-74.31	378.80	5.38	-68.93
C[N@@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)C1CCC1	REAL300029135999	1	51	0.0	-55.93	383.12	5.55	-50.38
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[NH+]1C(C)CCC1C	REAL300029136043	0	57	0.0	-67.33	387.89	5.44	-61.89
C[N@@H+]1CCCC1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029136099	0	54	0.0	-62.16	404.12	6.11	-56.05
C[N@H+]1CCCC1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029136099	1	54	0.0	-84.51	396.29	5.74	-78.77
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300029136106	0	55	0.0	-73.80	373.20	4.83	-68.97
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300029136109	0	55	0.0	-52.24	401.13	6.33	-45.91
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300029136109	1	55	0.0	-68.00	397.20	6.08	-61.92
CC1(F)CN(C(=O)CCCC[NH+]2CCCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029136124	0	57	0.0	-80.60	422.33	6.61	-73.99
C[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC1	REAL300029136135	0	51	0.0	-52.23	372.24	4.82	-47.41
C[NH+](C)CC1=CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)=NO1	REAL300029136164	1	50	0.0	-86.05	387.00	4.94	-81.11
C[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029136188	0	51	0.0	-51.61	364.26	4.60	-47.01
C[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029136188	1	51	0.0	-48.82	375.73	5.08	-43.74
CC(C)C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029136207	0	57	0.0	-73.62	414.36	6.34	-67.28
CC(C)C[N@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029136207	1	57	0.0	-53.60	418.11	6.58	-47.02
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300029136292	0	46	0.0	-70.44	370.82	6.92	-63.52
CC1=[NH+]C=CN1CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029136298	1	52	0.0	-77.22	403.58	6.32	-70.90
CC1(F)CN(C(=O)CC[NH+]2CCOCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029136302	1	52	0.0	-80.76	386.58	3.35	-77.41
CC1=C[NH+]=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029136327	1	46	0.0	-62.38	366.65	5.90	-56.48
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300029136359	0	52	0.0	-56.78	371.66	4.79	-51.99
C[NH+](C)C1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029136379	0	57	0.0	-70.62	406.81	5.95	-64.67
C[N@@H+]1CCC(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029136381	0	51	0.0	-58.56	382.23	5.12	-53.44
C[N@H+]1CCC(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029136381	1	51	0.0	-79.64	379.36	5.04	-74.60
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029136392	0	50	0.0	-66.53	388.51	3.43	-63.10
CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[NH+](C)C	REAL300029136397	0	50	0.0	-79.19	357.13	4.33	-74.86
C[NH+](C)C1(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CCCC1	REAL300029136407	0	57	0.0	-57.92	400.74	6.07	-51.85
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300029136441	1	46	0.0	-64.51	370.96	6.95	-57.56
C[NH+](C)CCCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029136486	0	53	0.0	-81.45	397.97	5.55	-75.90
CC(C)C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[NH+](C)C	REAL300029136504	0	53	0.0	-70.41	376.84	4.99	-65.42
CCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029136506	0	53	0.0	-79.44	393.12	5.34	-74.10
CCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029136506	1	53	0.0	-57.76	398.45	5.59	-52.17
CCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029136511	0	50	0.0	-75.60	372.00	4.81	-70.79
CCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029136511	1	50	0.0	-56.23	376.07	4.95	-51.28
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300029136531	0	52	0.0	-71.37	360.84	4.06	-67.31
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300029136531	1	52	0.0	-80.33	358.93	3.95	-76.38
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029136563	0	48	0.0	-48.16	352.16	3.98	-44.18
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029136563	1	48	0.0	-65.86	357.13	4.27	-61.59
CCCCCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029136610	0	59	0.0	-76.69	436.50	7.15	-69.54
CCCCCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029136610	1	59	0.0	-56.99	440.57	7.30	-49.69
CC[NH+](CC)C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)C(C)C	REAL300029136613	0	59	0.0	-78.36	400.49	5.59	-72.77
CC[NH+](CC)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029136621	0	50	0.0	-73.62	362.23	4.35	-69.27
CCC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029136652	0	57	0.0	-69.04	411.54	6.15	-62.89
CCC[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029136652	1	57	0.0	-73.17	404.10	5.89	-67.28
CC(C)[N@@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029136666	1	55	0.0	-90.32	398.59	4.71	-85.61
CC(C)[N@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029136666	1	55	0.0	-83.95	399.54	4.78	-79.17
CC1CC[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC1	REAL300029136693	0	54	0.0	-54.95	399.47	6.04	-48.91
C[NH+]1CCC(OCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC1	REAL300029136716	0	55	0.0	-88.59	411.48	5.49	-83.10
C[NH+](C)CC1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC1	REAL300029136726	0	51	0.0	-71.67	384.44	5.10	-66.57
CC(C)[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC1	REAL300029136789	0	57	0.0	-69.25	396.81	5.51	-63.74
C[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC1	REAL300029136805	0	51	0.0	-52.23	372.24	4.82	-47.41
CC(C)[C@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[NH+](C)C	REAL300029136823	0	53	0.0	-62.50	374.35	5.04	-57.46
CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[NH+](CC)CC	REAL300029136853	0	56	0.0	-60.84	387.71	5.35	-55.49
CC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029136903	0	50	0.0	-58.17	376.93	4.84	-53.33
CC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029136903	1	50	0.0	-78.49	372.72	4.63	-73.86
CC1CCC[N@@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029136952	0	51	0.0	-71.78	371.19	4.74	-67.04
CC1CCC[N@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029136952	1	51	0.0	-54.19	382.20	5.36	-48.83
CC1CC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029136954	0	51	0.0	-55.83	382.17	5.24	-50.59
CC1CC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029136954	1	51	0.0	-54.51	382.94	5.30	-49.21
CC1(C)CC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029136958	0	54	0.0	-74.95	398.00	5.62	-69.33
CC1(C)CC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029136958	1	54	0.0	-74.81	397.79	5.64	-69.17
C[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)CC(C)(C)C	REAL300029136959	0	56	0.0	-75.98	399.22	5.72	-70.26
C[N@@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)CC(C)(C)C	REAL300029136959	1	56	0.0	-54.35	405.43	6.06	-48.29
CC[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[NH+](C)C	REAL300029136967	0	50	0.0	-59.63	362.03	4.44	-55.19
C[NH+]1CCC(O)(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC1	REAL300029137109	0	55	0.0	-58.68	405.96	3.84	-54.84
C[NH+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029137120	0	44	0.0	-76.45	331.32	3.29	-73.16
CC1(F)CN(C(=O)C[NH+]2CCC(CO)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029137124	1	55	0.0	-80.31	406.03	2.54	-77.77
CC1(F)CN(C(=O)C[NH+]2CCCCCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029137125	0	54	0.0	-76.94	383.74	5.44	-71.50
CN1C=C[N+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)=C1	REAL300029137129	0	46	0.0	-71.48	363.85	6.87	-64.61
C[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029137135	0	51	0.0	-62.65	357.26	4.61	-58.04
C[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029137135	1	51	0.0	-68.12	366.32	4.95	-63.17
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300029137140	0	52	0.0	-53.31	390.78	5.85	-47.46
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300029137140	1	52	0.0	-53.84	382.32	5.61	-48.23
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[NH+]1CCC1	REAL300029137164	1	48	0.0	-59.37	354.09	4.06	-55.31
CCC(CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)C[NH+](C)C	REAL300029137168	0	56	0.0	-88.80	406.22	5.94	-82.86
C[NH+](C)CC(C)(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029137175	0	53	0.0	-59.71	362.59	4.41	-55.30
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300029137190	1	53	0.0	-72.72	382.08	5.63	-67.09
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300029137190	1	53	0.0	-82.30	381.12	5.47	-76.83
CC1(F)CN(C(=O)C[NH+]2CCC(O)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029137198	1	52	0.0	-80.67	384.35	1.85	-78.82
C[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)C1CC1	REAL300029137199	0	48	0.0	-73.24	361.88	4.79	-68.45
C[N@@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)C1CC1	REAL300029137199	1	48	0.0	-55.02	366.23	4.98	-50.04
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)N1CC[NH+](C)CC1	REAL300029137200	1	56	0.0	-67.28	403.08	3.09	-64.19
C[NH+]1CC(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029137218	0	48	0.0	-80.89	363.73	4.14	-76.75
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300029137222	0	55	0.0	-77.06	398.75	6.11	-70.95
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300029137222	1	55	0.0	-73.74	398.16	5.88	-67.86
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029137230	0	54	0.0	-78.23	370.49	5.03	-73.20
CC(C)(C)[N@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029137230	1	54	0.0	-48.72	369.00	4.34	-44.38
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[NH+](C)C	REAL300029137241	0	47	0.0	-69.08	346.80	3.64	-65.44
CCC1CCC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029137273	0	57	0.0	-72.03	405.06	5.99	-66.04
CCC1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029137273	1	57	0.0	-75.52	413.58	6.48	-69.04
C[NH+](C)CC1=CC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)N1	REAL300029137280	0	52	0.0	-96.66	384.71	5.28	-91.38
CC1(F)CN(C(=O)CN2C=CSC2=[NH2+])CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029137322	0	44	0.0	-57.50	363.91	3.74	-53.76
C[N@H+](CCO)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029137332	0	51	0.0	-79.72	383.07	1.41	-78.31
C[N@@H+](CCO)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029137332	1	51	0.0	-77.00	381.84	1.39	-75.61
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[NH+](C)C	REAL300029137333	0	47	0.0	-69.08	346.80	3.64	-65.44
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029137337	0	51	0.0	-81.93	367.33	4.72	-77.21
C[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029137337	1	51	0.0	-49.51	374.88	5.06	-44.45
CC1CN2CC[N@@H+]1CC2C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029137345	0	54	0.0	-90.61	378.21	1.80	-88.81
CC1CN2CC[N@H+]1CC2C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029137345	1	54	0.0	-68.02	384.76	2.12	-65.90
C[N@@H+]1CCC(=CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029137432	0	49	0.0	-80.87	371.50	5.06	-75.81
C[N@H+]1CCC(=CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029137432	1	49	0.0	-82.47	372.34	5.00	-77.47
C[NH+](C)CCOCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029137463	0	51	0.0	-81.12	387.19	4.40	-76.72
CCCCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029137468	0	59	0.0	-79.68	437.21	6.93	-72.75
CCCCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029137468	1	59	0.0	-58.51	441.45	7.15	-51.36
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)O1	REAL300029137477	0	55	0.0	-66.06	412.99	5.40	-60.66
C=CCC(C)(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[NH+](C)C	REAL300029137484	0	54	0.0	-68.81	372.27	4.73	-64.08
C[S+](C)CCC(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029137488	0	50	0.0	-88.11	391.50	2.73	-85.38
CN1CC(O)CC1(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029137513	0	52	0.0	-44.42	372.26	1.34	-43.08
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029137513	1	52	0.0	-80.66	368.91	0.68	-79.98
C[N@H+]1CC(O)CC1(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029137513	1	52	0.0	-80.66	368.91	0.68	-79.98
CN1CC[N@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029137523	0	56	0.0	-70.46	400.23	3.40	-67.06
CN1CC[N@@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029137523	1	56	0.0	-70.46	400.23	3.40	-67.06
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)N1CCCC(O)C1	REAL300029137524	0	55	0.0	-57.33	402.19	2.25	-55.08
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[N@@H+]1CCCC(O)C1	REAL300029137524	1	55	0.0	-52.84	404.48	2.38	-50.46
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[N@H+]1CCCC(O)C1	REAL300029137524	1	55	0.0	-52.84	404.48	2.38	-50.46
CC1(F)CN(C(=O)CN2CCC(CO)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029137532	0	55	0.0	-80.31	406.03	2.54	-77.77
CC1(F)CN(C(=O)C[NH+]2CCC(CO)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029137532	1	55	0.0	-80.31	406.03	2.54	-77.77
C[N@@H+]1CCCC(O)(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029137541	0	55	0.0	-59.33	394.65	3.84	-55.49
C[N@H+]1CCCC(O)(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029137541	1	55	0.0	-59.33	394.65	3.84	-55.49
CC1CN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029137544	0	48	0.0	-56.26	368.18	4.67	-51.59
CC1C[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029137544	1	48	0.0	-56.26	368.18	4.67	-51.59
CN(CCO)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029137567	0	48	0.0	-58.85	364.93	0.98	-57.87
C[N@H+](CCO)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029137567	1	48	0.0	-77.30	360.89	0.84	-76.46
C[N@@H+](CCO)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029137567	1	48	0.0	-77.30	360.89	0.84	-76.46
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300029137588	0	54	0.0	-42.58	376.33	2.75	-39.83
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300029137588	1	54	0.0	-42.58	376.33	2.75	-39.83
CC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029137593	0	54	0.0	-60.18	391.02	5.47	-54.71
CC[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029137593	1	54	0.0	-60.18	391.02	5.47	-54.71
CC(CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)C[NH+](C)C	REAL300029137595	0	53	0.0	-78.47	389.80	5.42	-73.05
CC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029137602	0	47	0.0	-75.26	350.49	4.06	-71.20
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300029137621	0	55	0.0	-53.27	375.75	4.86	-48.41
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C23CCC[N@H+]2CCCC3)C1	REAL300029137621	1	55	0.0	-53.27	375.75	4.86	-48.41
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300029137626	0	53	0.0	-56.60	373.16	4.92	-51.68
CC[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)C1CC1	REAL300029137645	0	51	0.0	-74.15	377.81	5.37	-68.78
CC[NH+](CC)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029137658	0	53	0.0	-79.33	385.01	4.99	-74.34
CC1(O)CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029137702	0	52	0.0	-56.72	391.49	1.92	-54.80
CC1(O)CC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029137702	1	52	0.0	-74.18	389.12	1.76	-72.42
CC1(O)CC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029137702	1	52	0.0	-74.18	389.12	1.76	-72.42
C[NH+](C)CC=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029137709	0	48	0.0	-80.18	370.66	4.71	-75.47
CC(OCC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029137727	0	54	0.0	-74.55	398.29	4.75	-69.80
C[NH+](C)CCOCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029137734	0	54	0.0	-78.06	408.35	4.16	-73.90
COCCN(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029137735	0	51	0.0	-77.94	383.15	3.24	-74.70
COCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029137735	1	51	0.0	-58.44	387.18	3.38	-55.06
COCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029137735	1	51	0.0	-58.44	387.18	3.38	-55.06
C[NH+](C)C1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CCCC1	REAL300029137762	0	54	0.0	-60.56	360.71	4.95	-55.61
CC(CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[NH+](C)C	REAL300029137765	0	53	0.0	-86.06	384.89	5.04	-81.02
CCN1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029137771	0	48	0.0	-76.59	355.60	3.99	-72.60
CC[N@@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029137771	1	48	0.0	-77.06	357.89	4.11	-72.95
CC[N@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029137771	1	48	0.0	-77.06	357.89	4.11	-72.95
CC(C)[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029137779	0	57	0.0	-71.58	400.54	5.72	-65.86
CC(C)[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029137779	1	57	0.0	-71.58	400.54	5.72	-65.86
CC1(F)CN(C(=O)C[N@@H+]2CCCC2CO)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029137790	0	52	0.0	-75.81	387.23	2.03	-73.78
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300029137812	0	55	0.0	-63.84	400.98	6.14	-57.70
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300029137812	1	55	0.0	-63.84	400.98	6.14	-57.70
C[NH+]1CCC(C)(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC1	REAL300029137818	0	54	0.0	-48.68	379.99	4.95	-43.73
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)N1CCC(O)CC1	REAL300029137838	0	55	0.0	-65.35	389.17	1.82	-63.53
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[NH+]1CCC(O)CC1	REAL300029137838	1	55	0.0	-65.35	389.17	1.82	-63.53
C=CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[NH+](C)C	REAL300029137844	0	51	0.0	-63.66	377.66	4.94	-58.72
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029137854	0	54	0.0	-46.72	392.24	5.07	-41.65
C[N@H+]1CC(C)(C)CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029137854	1	54	0.0	-63.55	398.20	5.39	-58.16
C[NH+](C)CCCCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029137857	0	56	0.0	-81.60	419.47	6.33	-75.27
CC1(F)CN(C(=O)C[NH+]2CC3CC3C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029137865	0	49	0.0	-54.72	372.34	5.45	-49.27
CC1C[N@@H+]2CCN1C(C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C1)C2	REAL300029137890	0	54	0.0	-93.50	379.85	1.94	-91.56
CC1C[N@H+]2CCN1C(C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C1)C2	REAL300029137890	1	54	0.0	-88.10	381.46	2.06	-86.04
CCCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[NH+](C)C	REAL300029137891	0	53	0.0	-63.88	384.17	5.19	-58.69
C[NH+](C)C(C)(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029137895	0	50	0.0	-75.46	334.62	3.81	-71.65
C[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029137929	0	51	0.0	-51.61	364.26	4.60	-47.01
C[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029137929	1	51	0.0	-48.82	375.73	5.08	-43.74
C[N@H+]1CC=C(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC1	REAL300029137961	0	52	0.0	-76.71	391.81	5.74	-70.97
C[N@@H+]1CC=C(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC1	REAL300029137961	1	52	0.0	-65.43	395.92	5.94	-59.49
CC1(F)CN(C(=O)CC2([NH+]3CCCC3)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029137969	0	55	0.0	-55.31	402.12	6.37	-48.94
C[NH+](C)CC1=CC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)O1	REAL300029138008	1	51	0.0	-91.14	392.54	5.31	-85.83
CC1(F)CN(C(=O)C=CC[NH+]2CCCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029138022	0	52	0.0	-78.63	394.01	5.74	-72.89
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300029138041	0	55	0.0	-70.04	395.42	5.97	-64.07
C[NH+](C)C1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC1	REAL300029138059	0	48	0.0	-60.05	356.84	4.53	-55.52
CC1(F)CN(C(=O)CC[NH+]2CCCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029138061	0	51	0.0	-77.54	380.90	5.12	-72.42
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2C[NH+]3CCN2CC3)C1	REAL300029138094	0	51	0.0	-43.81	366.83	1.51	-42.30
C[N@@H+]1CC2CC1(C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C1)C2	REAL300029138103	1	49	0.0	-80.89	345.62	4.61	-76.28
C[N@H+]1CC2CC1(C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C1)C2	REAL300029138103	1	49	0.0	-73.47	355.49	4.28	-69.19
CC1(F)CN(C(=O)C[N@@H+]2CC3CCC2C3)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029138114	0	52	0.0	-53.09	383.44	5.67	-47.42
CC1(F)CN(C(=O)C[N@H+]2CC3CCC2C3)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029138114	1	52	0.0	-55.20	383.23	5.66	-49.54
CC1(F)CN(C(=O)C=C2C[NH+]3CCC2CC3)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029138151	0	53	0.0	-72.85	389.94	5.87	-66.98
CC[NH+]1CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC1	REAL300029138189	0	56	0.0	-65.21	413.13	3.71	-61.50
CC(C[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029138203	0	50	0.0	-69.41	366.82	4.37	-65.04
C[N@@H+]1CCCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029138266	0	54	0.0	-58.16	387.37	5.63	-52.53
C[N@H+]1CCCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029138266	1	54	0.0	-73.70	384.39	5.47	-68.23
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[NH+]1CC(C)C1	REAL300029138280	1	51	0.0	-52.93	379.55	4.95	-47.98
CC1CC[N@@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029138283	1	48	0.0	-76.05	363.82	4.45	-71.60
CC1CC[N@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029138283	1	48	0.0	-73.52	358.36	4.17	-69.35
C[NH+](C)CC(O)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029138286	0	51	0.0	-82.34	385.23	2.44	-79.90
CC1C[N@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)O1	REAL300029138310	1	52	0.0	-89.74	377.38	4.16	-85.58
CC1C[N@@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)O1	REAL300029138310	1	52	0.0	-87.42	377.67	3.90	-83.52
CC1(F)CN(C(=O)CC[NH+]2CCC(O)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029138318	0	55	0.0	-80.60	407.72	2.50	-78.10
CCC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029138320	0	57	0.0	-50.89	403.46	6.00	-44.89
CCC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029138320	1	57	0.0	-49.08	413.69	6.47	-42.61
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029138380	0	51	0.0	-53.46	385.56	5.31	-48.15
CC(CC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029138387	0	53	0.0	-71.79	390.29	5.03	-66.76
C[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[C@@H]1CCC[C@H]1O	REAL300029138405	0	55	0.0	-70.92	401.78	2.70	-68.22
C[N@@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[C@@H]1CCC[C@H]1O	REAL300029138405	1	55	0.0	-54.19	406.60	2.75	-51.44
C[NH+]1CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC1	REAL300029138413	1	53	0.0	-67.04	395.90	3.07	-63.97
CC[NH+]1CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC1	REAL300029138421	0	56	0.0	-65.21	413.13	3.71	-61.50
CC1(F)CN(C(=O)CSC(N)=[NH2+])CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029138442	0	42	0.0	-81.36	339.84	0.25	-81.11
CC[N@@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029138469	0	55	0.0	-55.15	400.19	3.96	-51.19
C[NH+](C)C1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC1	REAL300029138482	0	57	0.0	-50.77	395.15	5.68	-45.09
C[NH+](C)CCC1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC1	REAL300029138483	0	54	0.0	-77.55	405.20	5.80	-71.75
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC1	REAL300029138484	0	57	0.0	-71.17	403.00	5.88	-65.29
C[N@@H+]1CC=CCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029138485	0	52	0.0	-79.06	384.22	5.51	-73.55
C[N@H+]1CC=CCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029138485	1	52	0.0	-79.06	384.22	5.51	-73.55
C[C@@H](OCC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029138506	0	54	0.0	-65.80	404.83	4.96	-60.84
C[NH+]1C2CCC1CC(C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C1)C2	REAL300029138530	0	55	0.0	-57.42	379.44	5.29	-52.13
CCC1C[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029138622	1	51	0.0	-56.62	389.54	5.43	-51.19
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300029138624	0	55	0.0	-84.26	382.93	5.22	-79.04
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029138631	1	48	0.0	-62.85	355.32	4.13	-58.72
CC1(F)CN(C(=O)CC[N@H+]2CCC(F)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029138638	1	51	0.0	-59.62	390.95	5.43	-54.19
COC1C[N@@H+](C)C(C)(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029138646	1	55	0.0	-63.77	381.38	3.28	-60.49
CC1(F)CN(C(=O)CC[NH+]2CCCCCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029138653	0	57	0.0	-78.65	407.09	6.41	-72.24
CC1(F)CN(C(=O)C[NH+]2CCCCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029138655	0	51	0.0	-75.56	374.54	5.24	-70.32
CC1C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC[N@@H+]1C	REAL300029138664	0	51	0.0	-48.82	372.06	4.68	-44.14
CC1C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC[N@H+]1C	REAL300029138664	1	51	0.0	-56.76	377.12	4.70	-52.06
C[N@@H+]1CCCCC1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029138666	0	57	0.0	-75.29	412.69	6.29	-69.00
C[N@H+]1CCCCC1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029138666	1	57	0.0	-77.25	406.62	6.16	-71.09
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300029138688	0	53	0.0	-85.16	388.19	3.53	-81.63
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC[N@H+]3CCOCC23)C1	REAL300029138688	1	53	0.0	-61.97	385.23	3.79	-58.18
CN1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029138705	0	52	0.0	-83.13	381.31	3.22	-79.91
C[N@@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029138705	1	52	0.0	-64.34	375.69	3.08	-61.26
C[N@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029138705	1	52	0.0	-83.13	381.31	3.22	-79.91
CC1=C(C)[NH+]=C(CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)N1	REAL300029138712	1	52	0.0	-72.15	403.80	4.74	-67.41
C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029138881	0	48	0.0	-60.36	361.55	4.39	-55.97
C[N@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029138881	1	48	0.0	-66.87	350.56	3.86	-63.01
C[N@@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029138907	1	49	0.0	-48.11	361.79	3.35	-44.76
C[N@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029138907	1	49	0.0	-88.86	356.45	3.44	-85.42
CC1=[NH+]C=CN1CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029139064	1	52	0.0	-77.22	403.58	6.32	-70.90
CC1(F)CN(C(=O)CC[NH+]2CCOCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029139068	1	52	0.0	-80.76	386.58	3.35	-77.41
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300029139088	0	52	0.0	-56.78	371.66	4.79	-51.99
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300029139096	1	46	0.0	-64.51	370.96	6.95	-57.56
C[NH+](C)C1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029139144	0	57	0.0	-70.62	406.81	5.95	-64.67
C[N@@H+]1CCC(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029139146	0	51	0.0	-58.56	382.23	5.12	-53.44
C[N@H+]1CCC(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029139146	1	51	0.0	-79.64	379.36	5.04	-74.60
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029139157	0	50	0.0	-66.53	388.51	3.43	-63.10
CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[NH+](C)C	REAL300029139162	0	50	0.0	-79.19	357.13	4.33	-74.86
C[NH+](C)CCCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029139214	0	53	0.0	-81.45	397.97	5.55	-75.90
CC(C)C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[NH+](C)C	REAL300029139234	0	53	0.0	-70.41	376.84	4.99	-65.42
CCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029139236	0	53	0.0	-79.44	393.12	5.34	-74.10
CCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029139236	1	53	0.0	-57.76	398.45	5.59	-52.17
CCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029139241	0	50	0.0	-75.60	372.00	4.81	-70.79
CCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029139241	1	50	0.0	-56.23	376.07	4.95	-51.28
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300029139261	0	52	0.0	-71.37	360.84	4.06	-67.31
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300029139261	1	52	0.0	-80.33	358.93	3.95	-76.38
CCCCCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029139284	0	59	0.0	-76.69	436.50	7.15	-69.54
CCCCCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029139284	1	59	0.0	-56.99	440.57	7.30	-49.69
CC[NH+](CC)C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)C(C)C	REAL300029139287	0	59	0.0	-78.36	400.49	5.59	-72.77
CC1CC[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC1	REAL300029139316	0	54	0.0	-54.95	399.47	6.04	-48.91
C[NH+]1CCC(OCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC1	REAL300029139339	0	55	0.0	-88.59	411.48	5.49	-83.10
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300029139378	0	55	0.0	-40.35	395.31	5.86	-34.49
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300029139378	1	55	0.0	-63.84	400.98	6.14	-57.70
C[NH+](C)CC1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC1	REAL300029139387	0	51	0.0	-71.67	384.44	5.10	-66.57
CC(C)[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC1	REAL300029139397	0	57	0.0	-69.25	396.81	5.51	-63.74
CC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029139413	0	50	0.0	-58.17	376.93	4.84	-53.33
CC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029139413	1	50	0.0	-78.49	372.72	4.63	-73.86
CC(C)(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[NH+]1CCCCC1	REAL300029139434	0	57	0.0	-71.63	383.87	5.21	-66.42
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300029139442	0	52	0.0	-93.67	369.44	4.87	-88.80
C[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC1	REAL300029139505	0	51	0.0	-52.23	372.24	4.82	-47.41
CC(C)[C@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[NH+](C)C	REAL300029139523	0	53	0.0	-62.50	374.35	5.04	-57.46
CC[NH+](CC)CC(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029139606	0	53	0.0	-83.07	390.15	5.06	-78.01
CC(C)C[N@@H+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029139634	0	57	0.0	-56.89	420.14	6.50	-50.39
CC(C)C[N@H+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029139634	1	57	0.0	-71.52	413.56	6.20	-65.32
C[NH+](C)C1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CCC1	REAL300029139637	0	51	0.0	-65.59	364.88	4.60	-60.99
CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[NH+](CC)CC	REAL300029139667	0	56	0.0	-60.84	387.71	5.35	-55.49
CC1CCC[N@@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029139684	0	51	0.0	-71.78	371.19	4.74	-67.04
CC1CCC[N@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029139684	1	51	0.0	-54.19	382.20	5.36	-48.83
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[NH+]1CCCCCC1	REAL300029139732	0	57	0.0	-72.87	394.80	5.66	-67.21
CC(C)[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029139734	0	57	0.0	-58.13	405.91	5.96	-52.17
CC(C)[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029139734	1	57	0.0	-70.55	394.85	5.47	-65.08
CC(C)[N@@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029139754	0	54	0.0	-69.47	385.06	5.14	-64.33
CC(C)[N@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029139754	1	54	0.0	-64.85	388.19	5.22	-59.63
CC(C)[N@@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029139760	0	57	0.0	-56.96	415.32	6.25	-50.71
CC(C)[N@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029139760	1	57	0.0	-63.26	399.98	5.90	-57.36
CC(C)[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[NH+](C)C	REAL300029139771	0	53	0.0	-74.83	369.72	4.91	-69.92
CC1CC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029139789	0	51	0.0	-55.83	382.17	5.24	-50.59
CC1CC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029139789	1	51	0.0	-54.51	382.94	5.30	-49.21
CC1(C)CC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029139793	0	54	0.0	-74.95	398.00	5.62	-69.33
CC1(C)CC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029139793	1	54	0.0	-74.81	397.79	5.64	-69.17
C[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)CC(C)(C)C	REAL300029139794	0	56	0.0	-75.98	399.22	5.72	-70.26
C[N@@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)CC(C)(C)C	REAL300029139794	1	56	0.0	-54.35	405.43	6.06	-48.29
CC[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[NH+](C)C	REAL300029139802	0	50	0.0	-59.63	362.03	4.44	-55.19
CC1=[NH+]C=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029139972	1	46	0.0	-74.57	361.16	4.97	-69.60
CC(C[NH+]1CCOCC1)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029139973	0	55	0.0	-73.90	394.77	3.73	-70.17
CC1(F)CN(C(=O)CCC[NH+]2CCCCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029139988	0	57	0.0	-78.26	418.12	6.64	-71.62
C[NH+](C)CC1=CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)=NO1	REAL300029140000	1	50	0.0	-86.05	387.00	4.94	-81.11
CC(C)C1=[NH+]C=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029140029	1	52	0.0	-54.95	400.47	6.24	-48.71
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300029140057	0	55	0.0	-70.88	378.00	5.35	-65.53
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300029140057	1	55	0.0	-78.86	384.54	5.63	-73.23
CC[N@@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029140071	1	52	0.0	-49.03	379.52	4.13	-44.90
CC[N@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029140071	1	52	0.0	-66.79	385.63	4.36	-62.43
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300029140111	0	46	0.0	-70.44	370.82	6.92	-63.52
CC1=C[NH+]=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029140116	1	46	0.0	-62.38	366.65	5.90	-56.48
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC[N@@H+]1C	REAL300029140125	0	51	0.0	-65.90	372.66	4.81	-61.09
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC[N@H+]1C	REAL300029140125	1	51	0.0	-65.52	378.05	4.82	-60.70
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC[N@@H+]1C	REAL300029140129	0	54	0.0	-76.53	385.34	4.84	-71.69
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC[N@H+]1C	REAL300029140129	1	54	0.0	-61.13	395.57	5.39	-55.74
CC1CCC(C)[NH+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029140140	0	54	0.0	-72.46	388.58	5.21	-67.25
CC1(F)CN(C(=O)CCC[NH+]2CCCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029140146	0	54	0.0	-77.73	400.85	5.83	-71.90
C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC1	REAL300029140151	0	53	0.0	-76.35	391.31	5.75	-70.60
CC1(F)CN(C(=O)CC[NH+]2CCCCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029140152	0	54	0.0	-77.65	396.62	5.86	-71.79
CC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029140157	0	54	0.0	-80.05	382.63	5.30	-74.75
CC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029140157	1	54	0.0	-67.26	378.72	4.86	-62.40
C[NH+](C)C1(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CCCC1	REAL300029140190	0	57	0.0	-57.92	400.74	6.07	-51.85
C[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)C1CCC1	REAL300029140311	0	51	0.0	-74.31	378.80	5.38	-68.93
C[N@@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)C1CCC1	REAL300029140311	1	51	0.0	-55.93	383.12	5.55	-50.38
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[NH+]1C(C)CCC1C	REAL300029140328	0	57	0.0	-67.33	387.89	5.44	-61.89
CC1(F)CN(C(=O)CCCC[NH+]2CCCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029140340	0	57	0.0	-80.60	422.33	6.61	-73.99
C[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC1	REAL300029140351	0	51	0.0	-52.23	372.24	4.82	-47.41
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029140386	0	48	0.0	-48.16	352.16	3.98	-44.18
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029140386	1	48	0.0	-65.86	357.13	4.27	-61.59
C[N@@H+]1CCCC1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029140412	0	54	0.0	-62.16	404.12	6.11	-56.05
C[N@H+]1CCCC1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029140412	1	54	0.0	-84.51	396.29	5.74	-78.77
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300029140419	0	55	0.0	-73.80	373.20	4.83	-68.97
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300029140422	0	55	0.0	-52.24	401.13	6.33	-45.91
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300029140422	1	55	0.0	-68.00	397.20	6.08	-61.92
CCC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029140484	0	57	0.0	-69.04	411.54	6.15	-62.89
CCC[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029140484	1	57	0.0	-73.17	404.10	5.89	-67.28
CC(C)[N@@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029140498	1	55	0.0	-90.32	398.59	4.71	-85.61
CC(C)[N@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029140498	1	55	0.0	-83.95	399.54	4.78	-79.17
C[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029140519	0	51	0.0	-51.61	364.26	4.60	-47.01
C[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029140519	1	51	0.0	-48.82	375.73	5.08	-43.74
CC(C)C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029140539	0	57	0.0	-73.62	414.36	6.34	-67.28
CC(C)C[N@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029140539	1	57	0.0	-53.60	418.11	6.58	-47.02
CC1(F)CN(C(=O)C[NH+]2CCC(CO)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029140552	1	55	0.0	-80.31	406.03	2.54	-77.77
CC1C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC[N@@H+]1C	REAL300029140593	0	51	0.0	-48.82	372.06	4.68	-44.14
CC1C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC[N@H+]1C	REAL300029140593	1	51	0.0	-56.76	377.12	4.70	-52.06
C[N@@H+]1CCCCC1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029140595	0	57	0.0	-75.29	412.69	6.29	-69.00
C[N@H+]1CCCCC1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029140595	1	57	0.0	-77.25	406.62	6.16	-71.09
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029140673	0	54	0.0	-78.23	370.49	5.03	-73.20
CC(C)(C)[N@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029140673	1	54	0.0	-48.72	369.00	4.34	-44.38
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[NH+](C)C	REAL300029140691	0	47	0.0	-69.08	346.80	3.64	-65.44
C=CCC(C)(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[NH+](C)C	REAL300029140705	0	54	0.0	-68.81	372.27	4.73	-64.08
CC1(F)CN(C(=O)CC[NH+]2CCCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029140725	0	51	0.0	-77.54	380.90	5.12	-72.42
C[N@H+](CCO)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029140735	1	48	0.0	-58.85	364.93	0.98	-57.87
C[N@@H+](CCO)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029140735	1	48	0.0	-77.30	360.89	0.84	-76.46
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300029140768	0	54	0.0	-43.36	381.16	2.70	-40.66
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300029140768	1	54	0.0	-42.58	376.33	2.75	-39.83
C[N@H+]1CC=C(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC1	REAL300029140814	0	52	0.0	-76.71	391.81	5.74	-70.97
C[N@@H+]1CC=C(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC1	REAL300029140814	1	52	0.0	-65.43	395.92	5.94	-59.49
C[S+](C)CCC(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029140828	0	50	0.0	-88.11	391.50	2.73	-85.38
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029140846	1	52	0.0	-44.42	372.26	1.34	-43.08
C[N@H+]1CC(O)CC1(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029140846	1	52	0.0	-80.66	368.91	0.68	-79.98
CN1CC[N@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029140856	0	56	0.0	-73.94	400.58	3.19	-70.75
CN1CC[N@@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029140856	1	56	0.0	-70.46	400.23	3.40	-67.06
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[N@@H+]1CCCC(O)C1	REAL300029140857	1	55	0.0	-57.33	402.19	2.25	-55.08
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[N@H+]1CCCC(O)C1	REAL300029140857	1	55	0.0	-52.84	404.48	2.38	-50.46
C[N@@H+]1CCCC(O)(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029140885	0	55	0.0	-58.47	404.26	4.00	-54.47
C[N@H+]1CCCC(O)(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029140885	1	55	0.0	-59.33	394.65	3.84	-55.49
CC1C[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029140889	1	48	0.0	-56.26	368.18	4.67	-51.59
CC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029140895	0	54	0.0	-53.09	383.20	5.67	-47.42
CC[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029140895	1	54	0.0	-60.18	391.02	5.47	-54.71
CC1(F)CN(C(=O)CC2=CC=C[NH+]=C2N)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029140901	0	47	0.0	-55.86	371.12	3.43	-52.43
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300029140911	0	52	0.0	-53.31	390.78	5.85	-47.46
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300029140911	1	52	0.0	-53.84	382.32	5.61	-48.23
CC1(F)CN(C(=O)C=CC[NH+]2CCCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029140946	0	52	0.0	-78.63	394.01	5.74	-72.89
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300029140964	0	55	0.0	-70.04	395.42	5.97	-64.07
CC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029141002	0	47	0.0	-75.26	350.49	4.06	-71.20
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300029141153	0	55	0.0	-53.27	375.75	4.86	-48.41
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C23CCC[N@H+]2CCCC3)C1	REAL300029141153	1	55	0.0	-53.27	375.75	4.86	-48.41
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300029141159	0	53	0.0	-56.60	373.16	4.92	-51.68
CC(OCC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029141168	0	54	0.0	-74.55	398.29	4.75	-69.80
C[NH+](C)CCOCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029141176	0	54	0.0	-78.06	408.35	4.16	-73.90
COCCN(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029141178	0	51	0.0	-77.94	383.15	3.24	-74.70
COCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029141178	1	51	0.0	-58.44	387.18	3.38	-55.06
COCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029141178	1	51	0.0	-58.44	387.18	3.38	-55.06
CC(CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[NH+](C)C	REAL300029141183	0	53	0.0	-86.06	384.89	5.04	-81.02
CC[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)C1CC1	REAL300029141205	0	51	0.0	-74.15	377.81	5.37	-68.78
CC1C[N@@H+]2CCN1C(C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C1)C2	REAL300029141220	0	54	0.0	-88.10	381.46	2.06	-86.04
CN1CC2CC1(C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C1)C2	REAL300029141242	0	49	0.0	-80.89	345.62	4.61	-76.28
C[N@@H+]1CC2CC1(C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C1)C2	REAL300029141242	1	49	0.0	-73.47	355.49	4.28	-69.19
C[N@H+]1CC2CC1(C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C1)C2	REAL300029141242	1	49	0.0	-73.47	355.49	4.28	-69.19
CC1(F)CN(C(=O)C[N@@H+]2CC3CCC2C3)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029141255	0	52	0.0	-55.20	383.23	5.66	-49.54
CC(C[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029141274	0	50	0.0	-69.41	366.82	4.37	-65.04
CCN1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029141318	0	48	0.0	-76.59	355.60	3.99	-72.60
CC[N@@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029141318	1	48	0.0	-77.06	357.89	4.11	-72.95
CC[N@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029141318	1	48	0.0	-77.06	357.89	4.11	-72.95
CC(C)[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029141328	0	57	0.0	-71.58	400.54	5.72	-65.86
CC(C)[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029141328	1	57	0.0	-71.58	400.54	5.72	-65.86
CCC(C)(C)[NH2+]C(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029141340	0	56	0.0	-67.95	386.88	3.43	-64.52
CNC1=NC(C)=CC=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029141380	0	50	0.0	-52.58	388.69	4.20	-48.38
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029141380	1	50	0.0	-52.58	388.69	4.20	-48.38
CCCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[NH+](C)C	REAL300029141390	0	53	0.0	-63.88	384.17	5.19	-58.69
C[NH+](C)C(C)(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029141397	0	50	0.0	-75.46	334.62	3.81	-71.65
CC(CC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029141415	0	53	0.0	-71.79	390.29	5.03	-66.76
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C23CC(C2)CN3C2CC2)C1	REAL300029141472	0	53	0.0	-72.72	382.08	5.63	-67.09
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300029141472	1	53	0.0	-82.30	381.12	5.47	-76.83
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300029141472	1	53	0.0	-82.30	381.12	5.47	-76.83
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029141501	0	54	0.0	-63.55	398.20	5.39	-58.16
C[NH+](C)CCCCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029141504	0	56	0.0	-81.60	419.47	6.33	-75.27
CC1(F)CN(C(=O)CC[NH+]2CCC(O)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029141508	0	55	0.0	-80.60	407.72	2.50	-78.10
CCC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029141512	0	57	0.0	-49.08	413.69	6.47	-42.61
CCC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029141512	1	57	0.0	-49.08	413.69	6.47	-42.61
CN1CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC1	REAL300029141521	0	53	0.0	-67.04	395.90	3.07	-63.97
C[NH+]1CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC1	REAL300029141521	1	53	0.0	-67.04	395.90	3.07	-63.97
CC1CN(C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)O1	REAL300029141603	0	52	0.0	-89.74	377.38	4.16	-85.58
CC1C[N@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)O1	REAL300029141603	1	52	0.0	-87.42	377.67	3.90	-83.52
CC1C[N@@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)O1	REAL300029141603	1	52	0.0	-87.42	377.67	3.90	-83.52
CCC1CCC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029141632	0	57	0.0	-75.52	413.58	6.48	-69.04
CC1(F)CN(C(=O)CC2([NH+]3CCCC3)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029141664	0	55	0.0	-55.31	402.12	6.37	-48.94
C[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029141697	0	51	0.0	-48.82	375.73	5.08	-43.74
C[N@@H+]1CCC(=CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029141796	0	49	0.0	-82.47	372.34	5.00	-77.47
C[N@H+]1CCC(=CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029141796	1	49	0.0	-82.47	372.34	5.00	-77.47
CC1(F)CN(C(=O)CNC2=CC=[NH+]C=C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029141801	0	47	0.0	-80.11	367.24	2.60	-77.51
CC[NH+]1CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC1	REAL300029141852	0	56	0.0	-65.21	413.13	3.71	-61.50
CC1(F)CN(C(=O)C=C2C[NH+]3CCC2CC3)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029141855	0	53	0.0	-72.85	389.94	5.87	-66.98
C[NH+](C)C1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CCCC1	REAL300029141888	0	54	0.0	-60.56	360.71	4.95	-55.61
C[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[C@@H]1CCC[C@H]1O	REAL300029141896	0	55	0.0	-70.92	401.78	2.70	-68.22
C[N@@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[C@@H]1CCC[C@H]1O	REAL300029141896	1	55	0.0	-54.19	406.60	2.75	-51.44
CCC1C[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029141899	1	51	0.0	-56.62	389.54	5.43	-51.19
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300029141902	0	55	0.0	-84.26	382.93	5.22	-79.04
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029141914	0	48	0.0	-58.81	358.14	4.26	-54.55
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029141914	1	48	0.0	-62.85	355.32	4.13	-58.72
CC[N@@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029141936	0	55	0.0	-55.15	400.19	3.96	-51.19
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029142040	0	51	0.0	-53.46	385.56	5.31	-48.15
C[NH+](C)C1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC1	REAL300029142051	0	57	0.0	-50.77	395.15	5.68	-45.09
C[NH+](C)CCC1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC1	REAL300029142052	0	54	0.0	-77.55	405.20	5.80	-71.75
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC1	REAL300029142053	0	57	0.0	-71.17	403.00	5.88	-65.29
C[N@@H+]1CC=CCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029142054	0	52	0.0	-79.06	384.22	5.51	-73.55
C[N@H+]1CC=CCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029142054	1	52	0.0	-79.06	384.22	5.51	-73.55
C[NH+](C)CCOCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029142106	0	51	0.0	-81.12	387.19	4.40	-76.72
CCCCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029142111	0	59	0.0	-58.51	441.45	7.15	-51.36
CCCCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029142111	1	59	0.0	-58.51	441.45	7.15	-51.36
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)O1	REAL300029142122	0	55	0.0	-66.06	412.99	5.40	-60.66
CC1(F)CN(C(=O)CN2C=CSC2=[NH2+])CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029142145	0	44	0.0	-57.50	363.91	3.74	-53.76
C[C@@H](OCC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029142210	0	54	0.0	-65.80	404.83	4.96	-60.84
CC1(F)CN(C(=O)CC[NH+]2CCCCCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029142241	0	57	0.0	-78.65	407.09	6.41	-72.24
CC1(F)CN(C(=O)C[NH+]2CCCCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029142244	0	51	0.0	-75.56	374.54	5.24	-70.32
C[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029142246	0	51	0.0	-62.65	357.26	4.61	-58.04
C[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029142246	1	51	0.0	-68.12	366.32	4.95	-63.17
CC1(F)CN(C(=O)C[NH+]2CCC(CO)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029142247	1	55	0.0	-80.31	406.03	2.54	-77.77
CC1(F)CN(C(=O)C[NH+]2CCCCCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029142248	0	54	0.0	-76.94	383.74	5.44	-71.50
CN1C=C[N+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)=C1	REAL300029142253	0	46	0.0	-71.48	363.85	6.87	-64.61
C[NH+](C)CC1=CC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)O1	REAL300029142268	1	51	0.0	-91.14	392.54	5.31	-85.83
CC1(F)CN(C(=O)C[NH+]2CCC(O)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029142283	1	52	0.0	-80.67	384.35	1.85	-78.82
C[N@@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)C1CC1	REAL300029142287	1	48	0.0	-55.02	366.23	4.98	-50.04
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)N1CC[NH+](C)CC1	REAL300029142289	1	56	0.0	-67.28	403.08	3.09	-64.19
CC1(F)CN(C(=O)CC[N@H+]2CCC(F)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029142291	1	51	0.0	-59.62	390.95	5.43	-54.19
COC1C[N@@H+](C)C(C)(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029142300	1	55	0.0	-63.77	381.38	3.28	-60.49
CC(CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)C[NH+](C)C	REAL300029142316	0	53	0.0	-78.47	389.80	5.42	-73.05
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300029142328	0	53	0.0	-85.16	388.19	3.53	-81.63
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC[N@H+]3CCOCC23)C1	REAL300029142328	1	53	0.0	-61.97	385.23	3.79	-58.18
CN1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029142345	0	52	0.0	-83.13	381.31	3.22	-79.91
C[N@@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029142345	1	52	0.0	-64.34	375.69	3.08	-61.26
C[N@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029142345	1	52	0.0	-83.13	381.31	3.22	-79.91
CC[NH+]1CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC1	REAL300029142353	0	56	0.0	-65.21	413.13	3.71	-61.50
CC1=CC(N)=[NH+]C=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029142403	1	47	0.0	-62.68	368.68	2.91	-59.77
CC1(F)CN(C(=O)CCC2=CC=C(N)[NH+]=C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029142406	0	50	0.0	-79.96	391.64	3.90	-76.06
CC1(O)CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029142442	0	52	0.0	-74.18	389.12	1.76	-72.42
CC1(O)CC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029142442	1	52	0.0	-56.72	391.49	1.92	-54.80
CC1(O)CC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029142442	1	52	0.0	-74.18	389.12	1.76	-72.42
C[NH+]1CC(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C1	REAL300029142474	0	48	0.0	-80.89	363.73	4.14	-76.75
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300029142478	1	55	0.0	-73.74	398.16	5.88	-67.86
C[NH+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029142486	0	44	0.0	-76.45	331.32	3.29	-73.16
C[N@H+](CCO)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029142512	0	51	0.0	-79.72	383.07	1.41	-78.31
C[N@@H+](CCO)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029142512	1	51	0.0	-77.00	381.84	1.39	-75.61
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[NH+](C)C	REAL300029142513	0	47	0.0	-69.08	346.80	3.64	-65.44
C[N@@H+]1CCCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029142530	0	54	0.0	-58.16	387.37	5.63	-52.53
C[N@H+]1CCCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029142530	1	54	0.0	-73.70	384.39	5.47	-68.23
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[NH+]1CC(C)C1	REAL300029142547	1	51	0.0	-52.93	379.55	4.95	-47.98
CC1CCN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029142551	0	48	0.0	-73.52	358.36	4.17	-69.35
CC1CC[N@@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029142551	1	48	0.0	-76.05	363.82	4.45	-71.60
CC1CC[N@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029142551	1	48	0.0	-73.52	358.36	4.17	-69.35
C[NH+](C)CC=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029142562	0	48	0.0	-80.18	370.66	4.71	-75.47
CC1=C(C)[NH+]=C(CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)N1	REAL300029142588	1	52	0.0	-72.15	403.80	4.74	-67.41
C[NH+](C)CCSCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029142605	0	51	0.0	-86.06	398.21	5.28	-80.78
CC1(F)CN(C(=O)C[N@H+]2CCCC2CO)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029142628	1	52	0.0	-75.81	387.23	2.03	-73.78
CC[NH+](CC)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029142632	0	50	0.0	-73.62	362.23	4.35	-69.27
CC[NH+](CC)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029142683	0	53	0.0	-79.33	385.01	4.99	-74.34
C[NH+](C)CC1=CNC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)=C1	REAL300029142740	0	52	0.0	-58.99	397.59	5.11	-53.88
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[NH+]1CCC(O)CC1	REAL300029142757	1	55	0.0	-65.35	389.17	1.82	-63.53
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300029142761	0	53	0.0	-57.97	389.34	3.63	-54.34
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC3COCC[N@H+]3C2)C1	REAL300029142761	1	53	0.0	-73.91	388.44	3.59	-70.32
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[NH+]1CCC1	REAL300029142772	1	48	0.0	-59.37	354.09	4.06	-55.31
CCC(CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)C[NH+](C)C	REAL300029142777	0	56	0.0	-88.80	406.22	5.94	-82.86
CC1(F)CN(C(=O)C=CC2=CC=C(N)[NH+]=C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029142784	0	48	0.0	-88.31	382.13	3.75	-84.56
C[NH+](C)CC(C)(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029142785	0	53	0.0	-59.71	362.59	4.41	-55.30
C[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029142837	1	51	0.0	-49.51	374.88	5.06	-44.45
CC1CN2CC[N@@H+]1CC2C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029142851	0	54	0.0	-90.61	378.21	1.80	-88.81
CC1CN2CC[N@H+]1CC2C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029142851	1	54	0.0	-68.02	384.76	2.12	-65.90
C[NH+](C)CC(O)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029142871	0	51	0.0	-82.34	385.23	2.44	-79.90
C[NH+]1C2CCC1CC(C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C1)C2	REAL300029142873	0	55	0.0	-57.42	379.44	5.29	-52.13
C=CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1)[NH+](C)C	REAL300029142903	0	51	0.0	-63.66	377.66	4.94	-58.72
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300029142910	0	55	0.0	-40.35	395.31	5.86	-34.49
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300029142910	1	55	0.0	-63.84	400.98	6.14	-57.70
C[NH+]1CCC(C)(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC1	REAL300029142921	0	54	0.0	-48.68	379.99	4.95	-43.73
C[NH+]1CCC(O)(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)CC1	REAL300029142923	0	55	0.0	-58.68	405.96	3.84	-54.84
C[NH+](C)CCSCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(C)(F)C1	REAL300029143000	0	51	0.0	-86.06	398.21	5.28	-80.78
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300029143006	0	53	0.0	-57.97	389.34	3.63	-54.34
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC3COCC[N@H+]3C2)C1	REAL300029143006	1	53	0.0	-73.91	388.44	3.59	-70.32
C[N@@H+]1CCCC1C(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029143169	0	55	0.0	-71.84	385.77	5.06	-66.78
C[N@H+]1CCCC1C(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029143169	1	55	0.0	-73.42	386.85	5.14	-68.28
C[N@@H+]1CCOC(C(=O)N2CCCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029143193	1	56	0.0	-79.18	393.48	4.55	-74.63
C[N@H+]1CCOC(C(=O)N2CCCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029143193	1	56	0.0	-87.41	400.50	4.72	-82.69
CC1=[NH+]C=CN1CC(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029143333	1	53	0.0	-66.62	397.44	6.23	-60.39
C[C@@H]1[C@H](C(=O)N2CCCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@@H+]1C	REAL300029143358	0	58	0.0	-79.50	399.47	5.32	-74.18
C[C@@H]1[C@H](C(=O)N2CCCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@H+]1C	REAL300029143358	1	58	0.0	-78.22	410.94	6.15	-72.07
C[NH+](C)C1(C(=O)N2CCCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CCC1	REAL300029143387	0	58	0.0	-78.96	398.43	5.59	-73.37
CC(C)[C@@H](C(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029143389	0	60	0.0	-72.87	403.83	6.04	-66.83
C[N@H+](CC(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CCC1	REAL300029143403	0	58	0.0	-68.59	414.12	6.60	-61.99
C[N@@H+](CC(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CCC1	REAL300029143403	1	58	0.0	-68.09	414.24	6.60	-61.49
C[NH+]1CCC(C(=O)N2CCCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029143436	0	58	0.0	-77.17	409.26	6.05	-71.12
C[N@@H+]1CCCCC1C(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029143447	0	58	0.0	-70.34	409.42	6.17	-64.17
C[N@H+]1CCCCC1C(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029143447	1	58	0.0	-68.37	408.96	6.20	-62.17
CC1=C[NH+]=CN1CC(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029143473	1	53	0.0	-66.97	397.78	6.96	-60.01
C[N@@H+]1CCC(CC(=O)N2CCCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029143483	0	58	0.0	-75.55	414.53	6.12	-69.43
C[N@H+]1CCC(CC(=O)N2CCCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029143483	1	58	0.0	-78.52	415.31	6.21	-72.31
CCC(C(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029143486	0	57	0.0	-69.71	396.47	5.58	-64.13
C[NH+](C)CCCCC(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029143505	0	60	0.0	-73.42	433.35	6.82	-66.60
CC(C)C(C(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029143510	0	60	0.0	-65.52	409.94	5.99	-59.53
CCC[N@H+](C)CCC(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029143511	0	60	0.0	-73.13	429.56	6.63	-66.50
CCC[N@@H+](C)CCC(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029143511	1	60	0.0	-73.21	429.58	6.67	-66.54
CCC[N@H+](C)CC(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029143512	0	57	0.0	-70.59	407.23	6.02	-64.57
CCC[N@@H+](C)CC(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029143512	1	57	0.0	-70.40	407.24	6.03	-64.37
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029143530	0	55	0.0	-72.48	385.81	5.13	-67.35
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029143530	1	55	0.0	-68.52	391.95	5.52	-63.00
CC[NH+](CC)CC(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029143545	0	57	0.0	-69.34	403.86	5.97	-63.37
C[NH+](C)CC1(C(=O)N2CCCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029143603	0	58	0.0	-77.11	416.02	6.24	-70.87
C[NH+]1CCC(C(=O)N2CCCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029143630	0	58	0.0	-77.17	409.26	6.05	-71.12
CC(C)[C@H](C(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029143645	0	60	0.0	-71.43	402.17	5.98	-65.45
CC[N@H+](C)CCC(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029143684	0	57	0.0	-72.34	408.06	5.89	-66.45
CC[N@@H+](C)CCC(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029143684	1	57	0.0	-72.40	408.12	5.89	-66.51
CC1CCC[N@@H+]1CC(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029143697	0	58	0.0	-68.90	414.51	6.48	-62.42
CC1CCC[N@H+]1CC(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029143697	1	58	0.0	-70.56	406.69	6.01	-64.55
CC1CC[N@H+](CC(=O)N2CCCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029143698	0	58	0.0	-69.71	414.02	6.36	-63.35
CC1CC[N@@H+](CC(=O)N2CCCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029143698	1	58	0.0	-70.34	415.40	6.34	-64.00
CC[C@@H](C(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029143701	0	57	0.0	-66.74	396.81	5.64	-61.10
C[NH+](C)CC(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029143743	0	51	0.0	-70.70	367.98	4.64	-66.06
CN1C=C[N+](CC(=O)N2CCCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)=C1	REAL300029143744	0	53	0.0	-68.13	399.25	8.13	-60.00
C[N@@H+]1CCCC(C(=O)N2CCCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029143747	0	58	0.0	-62.82	397.73	5.91	-56.91
C[N@H+]1CCCC(C(=O)N2CCCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029143747	1	58	0.0	-76.10	411.59	6.05	-70.05
CC(C(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+]1CCC1	REAL300029143757	1	55	0.0	-73.16	397.12	5.61	-67.55
C[NH+](C)CC(C)(C)C(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029143761	0	60	0.0	-70.55	407.85	5.59	-64.96
C[N@H+](CC(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300029143768	0	55	0.0	-67.51	397.28	6.02	-61.49
C[N@@H+](CC(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300029143768	1	55	0.0	-71.63	397.39	6.04	-65.59
C[NH+]1CC(CC(=O)N2CCCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029143780	0	55	0.0	-69.55	399.42	5.53	-64.02
C[C@@H](C(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029143793	0	54	0.0	-72.62	384.98	4.96	-67.66
C[N@H+](CCO)CCC(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029143835	0	58	0.0	-72.67	418.43	2.70	-69.97
C[N@@H+](CCO)CCC(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029143835	1	58	0.0	-71.15	418.47	2.62	-68.53
C[C@@H](C(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029143836	0	54	0.0	-72.62	384.98	4.96	-67.66
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029143839	0	58	0.0	-73.62	400.51	5.79	-67.83
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029143839	1	58	0.0	-69.76	407.96	6.21	-63.55
O=C(C[NH+]1CCC1)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029143867	1	52	0.0	-72.36	379.47	5.15	-67.21
C[N@@H+]1CCC(=CC(=O)N2CCCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029143877	0	56	0.0	-76.68	403.91	6.09	-70.59
C[N@H+]1CCC(=CC(=O)N2CCCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029143877	1	56	0.0	-78.26	405.80	6.15	-72.11
C[NH+](C)CCOCC(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029143888	0	58	0.0	-71.25	423.85	5.75	-65.50
C[C@H](C(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029143899	0	54	0.0	-66.76	384.48	4.94	-61.82
CC1C[NH+](CC(=O)N2CCCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029143917	1	55	0.0	-70.65	399.29	5.72	-64.93
C[N@H+](CCO)CC(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029143930	1	55	0.0	-70.52	396.10	2.05	-68.47
C[N@@H+](CCO)CC(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029143930	1	55	0.0	-71.87	396.21	2.01	-69.86
CC(CC(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C[NH+](C)C	REAL300029143942	0	60	0.0	-74.69	425.02	6.68	-68.01
CC[N@H+](C)CC(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029143944	0	54	0.0	-70.32	385.75	5.28	-65.04
CC[N@@H+](C)CC(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029143944	1	54	0.0	-70.08	385.74	5.28	-64.80
CC[N@H+](CC(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300029143957	0	58	0.0	-70.67	416.28	6.50	-64.17
CC[N@@H+](CC(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300029143957	1	58	0.0	-71.52	414.13	6.65	-64.87
CC[NH+](CC)CCC(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029143964	0	60	0.0	-72.24	421.51	6.31	-65.93
CC1(C)C[NH+](CC(=O)N2CCCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029143972	1	58	0.0	-75.56	419.80	6.30	-69.26
C[NH+](C)CC=CC(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029143980	0	55	0.0	-74.64	402.08	5.75	-68.89
COCC[N@H+](C)CC(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029143989	1	58	0.0	-72.03	418.48	4.42	-67.61
COCC[N@@H+](C)CC(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029143989	1	58	0.0	-70.85	418.35	4.45	-66.40
CC(CCC(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029144001	0	60	0.0	-73.71	420.53	6.32	-67.39
CC[N@@H+]1CCC1C(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029144007	1	55	0.0	-74.95	399.94	5.45	-69.50
CC[N@H+]1CCC1C(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029144007	1	55	0.0	-74.56	399.73	5.64	-68.92
C=CCC(C(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029144035	0	58	0.0	-67.03	406.69	5.94	-61.09
O=C(C[NH+]1CC2CC2C1)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029144043	0	56	0.0	-71.25	403.35	6.50	-64.75
CCCC(C(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029144052	0	60	0.0	-66.20	416.85	6.24	-59.96
C[NH+](C)C(C)(C)C(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029144054	0	57	0.0	-75.50	388.39	5.12	-70.38
C[N@@H+]1CCCCC1C(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029144066	0	58	0.0	-70.34	409.42	6.17	-64.17
C[N@H+]1CCCCC1C(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029144066	1	58	0.0	-68.37	408.96	6.20	-62.17
C[NH+](C)C1(C(=O)N2CCCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029144108	0	55	0.0	-76.92	389.29	5.18	-71.74
O=C(CC[NH+]1CCCC1)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029144109	0	58	0.0	-71.74	416.30	6.41	-65.33
C[N@@H+]1CC2CC1(C(=O)N1CCCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C1)C2	REAL300029144122	0	56	0.0	-68.80	387.90	5.46	-63.34
C[N@H+]1CC2CC1(C(=O)N1CCCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C1)C2	REAL300029144122	1	56	0.0	-77.73	395.80	5.66	-72.07
CC(C[NH+](C)C)C(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029144160	0	57	0.0	-61.57	403.20	5.71	-55.86
CC(C(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+]1CC(C)C1	REAL300029144185	0	58	0.0	-72.01	417.81	6.18	-65.83
CC1CC[N@@H+]1CC(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029144186	1	55	0.0	-69.48	395.01	5.52	-63.96
CC1CC[N@H+]1CC(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029144186	1	55	0.0	-71.20	400.56	5.77	-65.43
C[NH+](C)CC(O)CC(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029144188	0	58	0.0	-76.06	420.76	3.62	-72.44
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029144223	0	58	0.0	-73.92	417.10	6.38	-67.54
CC(CC[NH+](C)C)C(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029144225	0	60	0.0	-70.14	424.99	6.25	-63.89
NC(=[NH2+])SCC(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029144249	0	49	0.0	-74.00	376.50	1.59	-72.41
CCC1C[NH+](CC(=O)N2CCCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029144317	1	58	0.0	-71.48	420.68	6.48	-65.00
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029144321	0	55	0.0	-66.89	389.52	5.41	-61.48
C[N@H+]1CCC[C@H]1C(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029144321	1	55	0.0	-72.40	387.54	5.19	-67.21
O=C(C[NH+]1CCCCC1)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029144330	0	58	0.0	-70.69	409.74	6.49	-64.20
CC1C(C(=O)N2CCCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@@H+]1C	REAL300029144334	0	58	0.0	-76.10	410.13	5.93	-70.17
CC1C(C(=O)N2CCCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@H+]1C	REAL300029144334	1	58	0.0	-74.90	406.70	6.30	-68.60
C[N@@H+]1CCCC1C(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029144516	0	55	0.0	-76.15	387.51	5.19	-70.96
C[N@H+]1CCCC1C(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029144516	1	55	0.0	-74.00	391.12	5.52	-68.48
C[N@@H+]1CCOC(C(=O)N2CCC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029144542	1	56	0.0	-66.51	401.00	4.73	-61.78
C[N@H+]1CCOC(C(=O)N2CCC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029144542	1	56	0.0	-75.01	394.16	4.58	-70.43
C[N@@H+]1CCC(CC(=O)N2CCC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029144694	0	58	0.0	-78.70	414.98	6.18	-72.52
C[N@H+]1CCC(CC(=O)N2CCC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029144694	1	58	0.0	-69.82	415.86	6.34	-63.48
CCC(C(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300029144697	0	57	0.0	-64.10	397.22	5.61	-58.49
C[NH+](C)CCCCC(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029144712	0	60	0.0	-70.15	434.31	6.77	-63.38
CC(C)C(C(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300029144718	0	60	0.0	-66.00	407.71	6.19	-59.81
CCC[N@H+](C)CCC(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029144719	0	60	0.0	-68.96	430.53	6.60	-62.36
CCC[N@@H+](C)CCC(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029144719	1	60	0.0	-69.16	430.53	6.60	-62.56
CCC[N@H+](C)CC(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029144720	0	57	0.0	-76.91	408.43	6.10	-70.81
CCC[N@@H+](C)CC(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029144720	1	57	0.0	-76.77	408.43	6.10	-70.67
C[NH+](C)CC1(C(=O)N2CCC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029144765	0	58	0.0	-59.48	415.90	6.08	-53.40
CC[N@H+](C)CCC(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029144773	0	57	0.0	-79.34	409.31	5.93	-73.41
CC[N@@H+](C)CCC(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029144773	1	57	0.0	-68.50	409.03	5.86	-62.64
C[NH+]1CCC(C(=O)N2CCC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029144802	0	58	0.0	-83.50	412.30	6.09	-77.41
CC(C)[C@H](C(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300029144817	0	60	0.0	-77.16	409.17	6.02	-71.14
C[NH+](C)C1(C(=O)N2CCC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CCC1	REAL300029144854	0	58	0.0	-66.20	390.73	5.61	-60.59
CC1CCC[N@@H+]1CC(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029144880	0	58	0.0	-74.20	414.52	6.46	-67.74
CC1CCC[N@H+]1CC(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029144880	1	58	0.0	-59.92	413.31	6.28	-53.64
CC(C)[C@@H](C(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300029144894	0	60	0.0	-72.90	408.40	6.14	-66.76
CC1CC[N@H+](CC(=O)N2CCC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029144902	0	58	0.0	-74.18	413.78	6.20	-67.98
CC1CC[N@@H+](CC(=O)N2CCC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029144902	1	58	0.0	-76.21	414.69	6.41	-69.80
CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300029144905	0	57	0.0	-61.98	399.54	5.61	-56.37
CC1=[NH+]C=CN1CC(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029144949	1	53	0.0	-73.63	397.59	6.25	-67.38
CC1=C[NH+]=CN1CC(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029144977	1	53	0.0	-75.17	398.96	7.02	-68.15
C[C@@H]1[C@H](C(=O)N2CCC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@@H+]1C	REAL300029144979	0	58	0.0	-80.76	400.56	5.94	-74.82
C[C@@H]1[C@H](C(=O)N2CCC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@H+]1C	REAL300029144979	1	58	0.0	-66.33	410.99	5.82	-60.51
C[N@H+](CC(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCC1	REAL300029145021	0	58	0.0	-72.58	413.48	6.61	-65.97
C[N@@H+](CC(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCC1	REAL300029145021	1	58	0.0	-74.17	415.35	6.66	-67.51
C[NH+]1CCC(C(=O)N2CCC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029145030	0	58	0.0	-83.50	412.30	6.09	-77.41
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145044	0	55	0.0	-77.16	387.67	5.09	-72.07
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145044	1	55	0.0	-72.28	388.85	5.41	-66.87
C[N@@H+]1CCCCC1C(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145093	0	58	0.0	-68.04	401.22	5.89	-62.15
C[N@H+]1CCCCC1C(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145093	1	58	0.0	-74.10	410.24	6.22	-67.88
CC1C(C(=O)N2CCC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@@H+]1C	REAL300029145129	0	58	0.0	-61.76	410.56	5.81	-55.95
CC1C(C(=O)N2CCC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@H+]1C	REAL300029145129	1	58	0.0	-77.90	407.80	5.96	-71.94
C[C@@H](C(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300029145174	0	54	0.0	-73.93	384.31	4.89	-69.04
O=C(CC[NH+]1CCCC1)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145193	0	58	0.0	-78.75	417.54	6.45	-72.30
C[N@H+](CCO)CC(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145198	1	55	0.0	-77.25	397.28	2.11	-75.14
C[N@@H+](CCO)CC(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145198	1	55	0.0	-77.77	396.78	1.99	-75.78
CC1C[NH+](CC(=O)N2CCC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029145256	1	55	0.0	-77.03	400.49	5.81	-71.22
NC1=[NH+]C=CC=C1CC(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145262	0	54	0.0	-72.91	403.44	4.53	-68.38
CC[N@H+](C)CC(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145298	0	54	0.0	-76.56	386.94	5.35	-71.21
CC[N@@H+](C)CC(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145298	1	54	0.0	-76.55	386.93	5.34	-71.21
COCC[N@H+](C)CC(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145359	1	58	0.0	-77.59	419.03	4.38	-73.21
COCC[N@@H+](C)CC(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145359	1	58	0.0	-77.49	419.53	4.51	-72.98
CC(CCC(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300029145361	0	60	0.0	-67.73	426.14	6.35	-61.38
CC[N@H+](CC(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC1	REAL300029145367	0	58	0.0	-63.58	417.54	6.61	-56.97
CC[N@@H+](CC(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC1	REAL300029145367	1	58	0.0	-75.08	410.96	6.25	-68.83
C[N@@H+]1CC2CC1(C(=O)N1CCC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC1)C2	REAL300029145382	0	56	0.0	-66.18	395.91	5.61	-60.57
C[N@H+]1CC2CC1(C(=O)N1CCC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC1)C2	REAL300029145382	1	56	0.0	-78.82	394.38	5.69	-73.13
CC(C[NH+](C)C)C(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145393	0	57	0.0	-78.46	403.94	5.60	-72.86
C[NH+](C)C1(C(=O)N2CCC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029145399	0	55	0.0	-75.98	389.28	5.28	-70.70
C[C@H](C(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300029145412	0	54	0.0	-73.51	384.74	5.03	-68.48
CC[N@@H+]1CCC1C(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145415	0	55	0.0	-65.36	392.81	5.37	-59.99
CC[N@H+]1CCC1C(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145415	1	55	0.0	-76.85	399.70	5.57	-71.28
NC1=CC=[NH+]C=C1C(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145437	0	51	0.0	-79.28	380.21	2.54	-76.74
CCCC(C(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300029145442	0	60	0.0	-74.69	420.16	6.36	-68.33
C[NH+](C)C(C)(C)C(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145445	0	57	0.0	-62.19	389.14	5.09	-57.10
CC(CC[NH+](C)C)C(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145456	0	60	0.0	-84.43	428.54	6.44	-77.99
O=C(C[NH+]1CC2CC2C1)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145531	0	56	0.0	-77.01	404.76	6.56	-70.45
C[N@@H+]1CCCCC1C(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145543	0	58	0.0	-68.04	401.22	5.89	-62.15
C[N@H+]1CCCCC1C(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145543	1	58	0.0	-74.10	410.24	6.22	-67.88
C[N@@H+]1CCC(=CC(=O)N2CCC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029145574	0	56	0.0	-70.43	404.07	6.19	-64.24
C[N@H+]1CCC(=CC(=O)N2CCC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029145574	1	56	0.0	-70.14	405.07	6.10	-64.04
O=C(CNC1=CC=[NH+]C=C1)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145575	0	54	0.0	-66.82	404.66	3.86	-62.96
CCC1C[NH+](CC(=O)N2CCC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029145604	0	58	0.0	-77.79	421.87	6.53	-71.26
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145609	0	55	0.0	-72.45	389.94	5.32	-67.13
C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145609	1	55	0.0	-76.56	387.36	5.10	-71.46
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029145659	0	58	0.0	-77.24	418.20	6.40	-70.84
C[NH+](C)CCOCC(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145679	0	58	0.0	-69.17	424.58	5.69	-63.48
O=C(C[NH+]1CCCCC1)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145723	0	58	0.0	-76.50	410.94	6.55	-69.95
C[N@@H+]1CCCC(C(=O)N2CCC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029145724	0	58	0.0	-77.95	409.34	5.88	-72.07
C[N@H+]1CCCC(C(=O)N2CCC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029145724	1	58	0.0	-86.71	410.32	6.11	-80.60
CN1C=C[N+](CC(=O)N2CCC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=C1	REAL300029145725	0	53	0.0	-72.06	398.61	8.14	-63.92
C[N@H+](CC(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC1	REAL300029145736	0	55	0.0	-64.43	398.20	6.00	-58.43
C[N@@H+](CC(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC1	REAL300029145736	1	55	0.0	-64.55	398.34	6.00	-58.55
CC(CC(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C[NH+](C)C	REAL300029145747	0	60	0.0	-69.20	426.13	6.65	-62.55
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145780	1	54	0.0	-76.45	399.50	3.78	-72.67
C[NH+]1CC(CC(=O)N2CCC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029145807	0	55	0.0	-68.09	400.23	5.45	-62.64
C[NH+](C)CC(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145814	0	51	0.0	-67.57	368.94	4.59	-62.98
C[N@H+](CCO)CCC(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145824	0	58	0.0	-68.89	419.38	2.64	-66.25
C[N@@H+](CCO)CCC(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145824	1	58	0.0	-67.73	419.17	2.63	-65.10
C[C@@H](C(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300029145825	0	54	0.0	-73.93	384.31	4.89	-69.04
CC(C(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+]1CC(C)C1	REAL300029145839	0	58	0.0	-60.74	415.97	6.00	-54.74
CC1CC[N@@H+]1CC(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145840	0	55	0.0	-64.98	394.76	5.40	-59.58
CC1CC[N@H+]1CC(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145840	1	55	0.0	-61.08	393.92	5.32	-55.76
C[NH+](C)CC=CC(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145843	0	55	0.0	-70.74	405.15	5.84	-64.90
CC1(C)C[NH+](CC(=O)N2CCC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029145847	1	58	0.0	-62.60	417.81	6.19	-56.41
CC[NH+](CC)CC(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145865	0	57	0.0	-65.00	400.26	5.64	-59.36
O=C(C[NH+]1CCC1)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145871	1	52	0.0	-67.85	379.26	5.08	-62.77
CC[NH+](CC)CCC(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145892	0	60	0.0	-66.97	426.24	6.53	-60.44
CC(C(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+]1CCC1	REAL300029145927	0	55	0.0	-75.34	397.16	5.60	-69.74
C[NH+](C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145932	0	60	0.0	-67.39	407.66	5.57	-61.82
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145953	0	58	0.0	-64.93	398.55	5.79	-59.14
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145953	1	58	0.0	-72.29	408.27	6.20	-66.09
C[NH+](C)CC(O)CC(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145964	0	58	0.0	-71.97	421.45	3.64	-68.33
C=CCC(C(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300029145978	0	58	0.0	-65.89	412.31	6.11	-59.78
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CCC[N@@H+]1C	REAL300029146182	0	50	0.0	-66.30	379.47	0.98	-65.32
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CCC[N@H+]1C	REAL300029146182	1	50	0.0	-66.13	378.86	0.81	-65.32
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1C[N@H+](C)CCO1	REAL300029146206	1	51	0.0	-75.53	390.78	0.42	-75.11
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1C[N@@H+](C)CCO1	REAL300029146206	1	51	0.0	-70.47	383.41	0.14	-70.33
CC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C)[NH+]1CCCCCC1	REAL300029146364	0	59	0.0	-65.54	422.33	2.36	-63.18
CC(C)[N@@H+]1CCCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029146366	0	59	0.0	-62.67	426.90	2.47	-60.20
CC(C)[N@H+]1CCCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029146366	1	59	0.0	-62.90	420.84	2.73	-60.17
CC(C)[N@@H+]1CCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029146386	0	56	0.0	-64.23	415.21	2.13	-62.10
CC(C)[N@H+]1CCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029146386	1	56	0.0	-64.78	412.18	2.04	-62.74
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CC2CCCC[N@@H+]2C1	REAL300029146402	0	57	0.0	-70.47	420.48	2.60	-67.87
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CC2CCCC[N@H+]2C1	REAL300029146402	1	57	0.0	-71.41	420.38	2.52	-68.89
CC(C)C1=[NH+]C=CN1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029146421	1	54	0.0	-65.06	419.14	2.64	-62.42
CC1=[NH+]C=CN1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029146449	1	48	0.0	-66.67	382.66	1.50	-65.17
CC(C[NH+]1CCOCC1)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029146450	0	57	0.0	-71.50	424.54	0.64	-70.86
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CCC[NH+]1CCCCC1	REAL300029146466	0	59	0.0	-70.38	438.42	3.13	-67.25
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C(C)(C)[NH+]1CCCCC1	REAL300029146484	0	59	0.0	-66.56	422.95	2.92	-63.64
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1C[NH+]2CCC1CC2	REAL300029146492	0	54	0.0	-75.59	394.56	1.77	-73.82
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CCCC2CCC[N@@H+]21	REAL300029146532	0	57	0.0	-65.21	410.47	2.60	-62.61
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CCCC2CCC[N@H+]21	REAL300029146532	1	57	0.0	-62.71	409.53	2.38	-60.33
C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)CC[N@@H+]1C	REAL300029146545	0	53	0.0	-70.08	390.63	1.06	-69.02
C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)CC[N@H+]1C	REAL300029146545	1	53	0.0	-70.87	394.63	1.69	-69.18
CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)CC[N@@H+]1C	REAL300029146549	0	56	0.0	-69.90	410.41	1.73	-68.17
CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)CC[N@H+]1C	REAL300029146549	1	56	0.0	-69.46	414.21	2.20	-67.26
CC[N@@H+]1CCOC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)C1	REAL300029146558	1	54	0.0	-73.55	408.57	1.07	-72.48
CC[N@H+]1CCOC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)C1	REAL300029146558	1	54	0.0	-77.41	408.33	0.94	-76.47
CC[NH+](CC)CC(F)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029146599	0	55	0.0	-71.67	417.11	2.27	-69.40
CC1CCC(C)[NH+]1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029146660	0	56	0.0	-67.24	400.78	1.42	-65.82
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CCC[NH+]1CCCC1	REAL300029146666	0	56	0.0	-70.09	421.59	2.35	-67.74
C#CC[NH+]1CCC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)CC1	REAL300029146671	0	55	0.0	-74.32	422.31	2.68	-71.64
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC[NH+]1CCCCC1	REAL300029146672	0	56	0.0	-70.28	416.91	2.32	-67.96
CC[N@@H+]1CCCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029146677	0	56	0.0	-65.32	403.73	2.19	-63.13
CC[N@H+]1CCCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029146677	1	56	0.0	-64.64	403.44	2.21	-62.43
CC(C)C[N@@H+]1CCC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)C1	REAL300029146691	0	59	0.0	-68.47	437.68	3.00	-65.47
CC(C)C[N@H+]1CCC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)C1	REAL300029146691	1	59	0.0	-69.32	438.27	2.92	-66.40
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1([NH+](C)C)CCC1	REAL300029146694	0	53	0.0	-71.13	385.56	2.04	-69.09
CC(C)[N@@H+]1CCCC1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029146696	0	59	0.0	-62.55	424.33	1.98	-60.57
CC(C)[N@H+]1CCCC1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029146696	1	59	0.0	-64.08	422.40	1.77	-62.31
CC(C)[C@@H](C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C)[NH+](C)C	REAL300029146709	0	55	0.0	-66.13	399.63	1.80	-64.33
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@H+](C)C1CCC1	REAL300029146750	0	53	0.0	-67.69	399.67	2.11	-65.58
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@@H+](C)C1CCC1	REAL300029146750	1	53	0.0	-67.54	399.60	1.90	-65.64
CC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C)[NH+]1C(C)CCC1C	REAL300029146804	0	59	0.0	-63.31	424.46	2.43	-60.88
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029146860	1	52	0.0	-67.38	400.23	1.80	-65.58
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029146860	1	52	0.0	-67.25	404.74	2.21	-65.04
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CCC1CCC[N@@H+]1C	REAL300029146866	0	56	0.0	-69.24	414.48	1.96	-67.28
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CCC1CCC[N@H+]1C	REAL300029146866	1	56	0.0	-72.37	420.66	2.47	-69.90
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C12CCC[NH+](CCC1)C2	REAL300029146875	0	57	0.0	-70.31	410.46	2.06	-68.25
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CCC2CCCC[N@@H+]21	REAL300029146878	0	57	0.0	-65.02	414.09	2.38	-62.64
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CCC2CCCC[N@H+]21	REAL300029146878	1	57	0.0	-65.99	414.42	2.59	-63.40
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CCCC[NH+]1CCCC1	REAL300029146894	0	59	0.0	-70.91	443.10	3.13	-67.78
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CC[NH+](C)CC1	REAL300029146905	0	53	0.0	-73.71	397.64	1.53	-72.18
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=NOC(C[NH+](C)C)=C1	REAL300029146938	1	52	0.0	-75.90	411.43	0.94	-74.96
CC1=C(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)C=CC2=C[NH+]=CN21	REAL300029146939	0	51	0.0	-69.24	397.17	3.75	-65.49
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CCCC[N@@H+]1C	REAL300029146968	0	53	0.0	-67.11	395.52	1.65	-65.46
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CCCC[N@H+]1C	REAL300029146968	1	53	0.0	-65.73	395.08	1.43	-64.30
CC(C)C[N@@H+]1CCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029146988	0	59	0.0	-67.13	418.59	2.68	-64.45
CC(C)C[N@H+]1CCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029146988	1	59	0.0	-62.49	427.68	2.72	-59.77
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300029147083	0	48	0.0	-70.26	383.54	3.43	-66.83
CC1=[NH+]C=CN1CCCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029147091	1	54	0.0	-67.65	424.34	2.82	-64.83
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC[NH+]1CCOCC1	REAL300029147095	1	54	0.0	-73.57	408.34	-0.12	-73.69
CC1=C[NH+]=CN1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029147122	1	48	0.0	-68.44	383.14	2.26	-66.18
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C12CCC[NH+]1CCC2	REAL300029147158	0	54	0.0	-69.49	398.03	1.94	-67.55
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CCCC([NH+](C)C)C1	REAL300029147180	0	59	0.0	-65.87	425.52	2.57	-63.30
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1CC[N@H+](C)C1	REAL300029147183	0	53	0.0	-71.04	399.55	1.54	-69.50
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1CC[N@@H+](C)C1	REAL300029147183	1	53	0.0	-71.62	399.86	1.64	-69.98
CN(C)C1=CC=[NH+]C=C1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029147194	0	52	0.0	-74.69	404.26	0.74	-73.95
CCC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C)[NH+](C)C	REAL300029147199	0	52	0.0	-66.69	381.93	0.95	-65.74
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1([NH+](C)C)CCCC1	REAL300029147211	0	59	0.0	-71.61	417.18	2.40	-69.21
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300029147248	1	48	0.0	-73.71	383.81	3.43	-70.28
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CCCC[NH+](C)C	REAL300029147298	0	55	0.0	-72.03	418.44	2.02	-70.01
CC(C)C(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C)[NH+](C)C	REAL300029147318	0	55	0.0	-68.55	401.54	2.08	-66.47
CCC[N@H+](C)CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029147320	0	55	0.0	-71.47	414.97	1.87	-69.60
CCC[N@@H+](C)CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029147320	1	55	0.0	-71.44	415.15	2.09	-69.35
CCC[N@H+](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029147325	0	52	0.0	-69.56	392.61	1.33	-68.23
CCC[N@@H+](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029147325	1	52	0.0	-69.42	392.61	1.32	-68.10
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C12CC[N@H+](C1)CCC2	REAL300029147347	0	54	0.0	-70.91	394.90	1.03	-69.88
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C12CC[N@@H+](C1)CCC2	REAL300029147347	1	54	0.0	-70.17	395.68	1.16	-69.01
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)[C@H]1CCC[N@@H+]1C	REAL300029147381	0	50	0.0	-66.40	379.29	0.98	-65.42
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)[C@H]1CCC[N@H+]1C	REAL300029147381	1	50	0.0	-69.36	373.19	0.47	-68.89
CCCCCC[N@H+](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029147432	0	61	0.0	-70.77	457.10	3.67	-67.10
CCCCCC[N@@H+](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029147432	1	61	0.0	-70.70	457.11	3.67	-67.03
CC[NH+](CC)C(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C)C(C)C	REAL300029147436	0	61	0.0	-62.45	429.25	2.98	-59.47
CC[NH+](CC)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029147444	0	52	0.0	-68.07	388.75	1.24	-66.83
CCC[N@@H+]1CCCC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)C1	REAL300029147476	0	59	0.0	-69.04	436.91	2.85	-66.19
CCC[N@H+]1CCCC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)C1	REAL300029147476	1	59	0.0	-69.35	436.96	2.99	-66.36
CC(C)[N@@H+]1CCOC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)C1	REAL300029147491	0	57	0.0	-71.31	418.01	1.27	-70.04
CC(C)[N@H+]1CCOC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)C1	REAL300029147491	1	57	0.0	-71.56	418.23	1.39	-70.17
CC1CC[NH+](CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)CC1	REAL300029147519	0	56	0.0	-69.59	416.03	2.33	-67.26
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)COC1CC[NH+](C)CC1	REAL300029147545	0	57	0.0	-75.57	433.03	1.97	-73.60
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1(C[NH+](C)C)CC1	REAL300029147555	0	53	0.0	-72.67	399.99	1.57	-71.10
CC(C)[NH+]1CCC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)CC1	REAL300029147624	0	59	0.0	-71.00	428.30	2.49	-68.51
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CC[NH+](C)CC1	REAL300029147641	0	53	0.0	-73.71	397.64	1.53	-72.18
CC(C)[C@H](C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C)[NH+](C)C	REAL300029147659	0	55	0.0	-66.62	401.79	2.07	-64.55
CCC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C)[NH+](CC)CC	REAL300029147690	0	58	0.0	-63.33	419.15	2.39	-60.94
CC[N@H+](C)CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029147744	0	52	0.0	-70.77	393.47	1.14	-69.63
CC[N@@H+](C)CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029147744	1	52	0.0	-70.77	393.47	1.13	-69.64
CC1CCC[N@@H+]1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029147798	0	53	0.0	-66.23	399.56	1.80	-64.43
CC1CCC[N@H+]1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029147798	1	53	0.0	-66.79	398.72	1.92	-64.87
CC1CC[N@H+](CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)C1	REAL300029147800	0	53	0.0	-68.73	399.26	1.71	-67.02
CC1CC[N@@H+](CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)C1	REAL300029147800	1	53	0.0	-68.85	398.55	1.58	-67.27
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@@H+]1CCC(C)(C)C1	REAL300029147804	0	56	0.0	-68.95	418.43	2.08	-66.87
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@H+]1CCC(C)(C)C1	REAL300029147804	1	56	0.0	-68.55	418.41	2.21	-66.34
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@H+](C)CC(C)(C)C	REAL300029147805	0	58	0.0	-68.81	423.45	2.47	-66.34
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@@H+](C)CC(C)(C)C	REAL300029147805	1	58	0.0	-69.36	420.95	2.47	-66.89
CC[C@@H](C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C)[NH+](C)C	REAL300029147813	0	52	0.0	-64.59	382.29	1.14	-63.45
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1(O)CC[NH+](C)CC1	REAL300029147963	0	57	0.0	-70.80	424.16	0.50	-70.30
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[NH+](C)C	REAL300029147974	0	46	0.0	-70.17	353.07	-0.13	-70.30
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[NH+]1CCC(CO)CC1	REAL300029147978	1	57	0.0	-72.51	426.78	-0.91	-73.42
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[NH+]1CCCCCC1	REAL300029147979	0	56	0.0	-68.96	404.46	1.99	-66.97
CN1C=C[N+](CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)=C1	REAL300029147983	0	48	0.0	-67.78	384.31	3.39	-64.39
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CCC[N@H+](C)C1	REAL300029147990	0	53	0.0	-63.77	391.50	1.79	-61.98
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CCC[N@@H+](C)C1	REAL300029147990	1	53	0.0	-68.94	397.78	1.59	-67.35
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CCC[N@@H+]1C1CC1	REAL300029147995	0	54	0.0	-64.45	410.81	2.46	-61.99
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CCC[N@H+]1C1CC1	REAL300029147995	1	54	0.0	-63.93	403.84	1.91	-62.02
CC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C)[NH+]1CCC1	REAL300029148021	1	50	0.0	-67.05	381.71	1.07	-65.98
CCC(CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C)C[NH+](C)C	REAL300029148026	0	58	0.0	-67.24	428.25	2.50	-64.74
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C(C)(C)C[NH+](C)C	REAL300029148033	0	55	0.0	-64.78	400.77	1.86	-62.92
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300029148050	0	55	0.0	-61.18	411.31	1.96	-59.22
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300029148050	1	55	0.0	-67.45	410.05	3.15	-64.30
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[NH+]1CCC(O)CC1	REAL300029148058	1	54	0.0	-73.58	405.92	-1.60	-75.18
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@H+](C)C1CC1	REAL300029148059	0	50	0.0	-66.97	382.78	1.33	-65.64
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@@H+](C)C1CC1	REAL300029148059	1	50	0.0	-66.75	382.64	1.33	-65.42
CC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C)N1CC[NH+](C)CC1	REAL300029148060	1	58	0.0	-68.82	424.32	-0.26	-69.08
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1C[NH+](C)C1	REAL300029148078	0	50	0.0	-70.38	384.52	0.70	-69.68
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CC[N@@H+]1C1CCCC1	REAL300029148082	0	57	0.0	-69.22	425.60	2.82	-66.40
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CC[N@H+]1C1CCCC1	REAL300029148082	1	57	0.0	-69.30	423.68	2.67	-66.63
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300029148090	0	56	0.0	-65.63	414.97	1.62	-64.01
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CC[N@H+]1C(C)(C)C	REAL300029148090	1	56	0.0	-66.22	397.78	0.86	-65.36
C[C@@H](C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C)[NH+](C)C	REAL300029148101	0	49	0.0	-67.47	370.53	0.43	-67.04
CCC1CCC[N@H+](CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)C1	REAL300029148139	0	59	0.0	-69.52	434.38	3.06	-66.46
CCC1CCC[N@@H+](CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)C1	REAL300029148139	1	59	0.0	-69.57	434.04	2.98	-66.59
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CC=C(C[NH+](C)C)N1	REAL300029148146	0	54	0.0	-78.21	420.00	1.35	-76.86
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CN1C=CSC1=[NH2+]	REAL300029148187	0	46	0.0	-66.28	380.30	0.07	-66.21
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC[N@H+](C)CCO	REAL300029148197	0	53	0.0	-70.36	404.01	-1.87	-72.23
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC[N@@H+](C)CCO	REAL300029148197	1	53	0.0	-70.07	403.46	-2.09	-72.16
C[C@@H](C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C)[NH+](C)C	REAL300029148198	0	49	0.0	-67.47	370.53	0.43	-67.04
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)[C@H]1CCCC[N@@H+]1C	REAL300029148202	0	53	0.0	-65.80	395.56	1.61	-64.19
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)[C@H]1CCCC[N@H+]1C	REAL300029148202	1	53	0.0	-67.60	386.40	1.20	-66.40
CC1CN2CC[N@@H+]1CC2C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029148210	0	56	0.0	-74.68	406.42	-0.84	-75.52
CC1CN2CC[N@H+]1CC2C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029148210	1	56	0.0	-75.08	404.70	-0.99	-76.07
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1=CC2=C[NH+]=CN2C=C1	REAL300029148252	0	51	0.0	-69.65	407.48	4.06	-65.59
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@H+](C)C1CCSC1	REAL300029148274	0	54	0.0	-74.88	412.83	2.38	-72.50
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@@H+](C)C1CCSC1	REAL300029148274	1	54	0.0	-75.32	412.57	2.11	-73.21
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[NH+]1CCC1	REAL300029148275	1	47	0.0	-69.65	363.47	0.34	-69.31
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C=C1CC[N@H+](C)C1	REAL300029148304	0	51	0.0	-73.22	391.05	1.42	-71.80
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C=C1CC[N@@H+](C)C1	REAL300029148304	1	51	0.0	-73.19	392.02	1.39	-71.80
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)COCC[NH+](C)C	REAL300029148337	0	53	0.0	-70.28	408.92	0.93	-69.35
CCCCC[N@H+](C)CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029148342	0	61	0.0	-72.41	457.96	3.44	-68.97
CCCCC[N@@H+](C)CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029148342	1	61	0.0	-72.36	458.15	3.65	-68.71
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300029148351	0	57	0.0	-70.72	432.23	1.87	-68.85
C=CCC(C)(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C)[NH+](C)C	REAL300029148358	0	56	0.0	-71.48	408.19	2.50	-68.98
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C(O)CC[S+](C)C	REAL300029148363	0	52	0.0	-71.29	418.22	-0.41	-71.70
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1(C)CC(O)C[N@@H+]1C	REAL300029148388	0	54	0.0	-72.85	401.51	-1.99	-74.84
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CN(C)CC[N@H+](C)C1	REAL300029148398	0	58	0.0	-67.93	424.16	-0.36	-68.29
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CN(C)CC[N@@H+](C)C1	REAL300029148398	1	58	0.0	-67.93	424.16	-0.36	-68.29
CC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C)[N@@H+]1CCCC(O)C1	REAL300029148399	0	57	0.0	-68.49	421.86	-1.09	-69.58
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CN1CCC(CO)CC1	REAL300029148408	0	57	0.0	-72.51	426.78	-0.91	-73.42
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[NH+]1CCC(CO)CC1	REAL300029148408	1	57	0.0	-72.51	426.78	-0.91	-73.42
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1(O)CCC[N@H+](C)C1	REAL300029148417	0	57	0.0	-68.62	420.62	0.29	-68.33
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1(O)CCC[N@@H+](C)C1	REAL300029148417	1	57	0.0	-68.62	420.62	0.29	-68.33
CC1CN(CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)C1	REAL300029148420	0	50	0.0	-68.62	383.44	1.13	-67.49
CC1C[NH+](CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)C1	REAL300029148420	1	50	0.0	-68.62	383.44	1.13	-67.49
CN(CCO)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029148446	0	50	0.0	-69.71	381.46	-2.66	-72.37
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@H+](C)CCO	REAL300029148446	1	50	0.0	-69.91	381.03	-2.72	-72.63
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@@H+](C)CCO	REAL300029148446	1	50	0.0	-69.91	381.03	-2.72	-72.63
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1C[N@@H+]2CCN1CCC2	REAL300029148468	0	56	0.0	-78.03	399.81	-0.19	-78.22
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1C[N@H+]2CCN1CCC2	REAL300029148468	1	56	0.0	-78.03	399.81	-0.19	-78.22
CC[N@@H+]1CCCC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)C1	REAL300029148474	0	56	0.0	-68.79	415.60	2.28	-66.51
CC[N@H+]1CCCC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)C1	REAL300029148474	1	56	0.0	-68.79	415.60	2.28	-66.51
CC(CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C)C[NH+](C)C	REAL300029148476	0	55	0.0	-71.34	410.19	1.86	-69.48
CC[N@H+](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029148486	0	49	0.0	-69.12	371.29	0.80	-68.32
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C12CCC[N@@H+]1CCCC2	REAL300029148508	0	57	0.0	-63.42	408.25	2.64	-60.78
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C12CCC[N@H+]1CCCC2	REAL300029148508	1	57	0.0	-63.42	408.25	2.64	-60.78
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C12CCC[N@@H+]1CC=CC2	REAL300029148513	0	55	0.0	-65.92	399.30	2.41	-63.51
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C12CCC[N@H+]1CC=CC2	REAL300029148513	1	55	0.0	-65.92	399.30	2.41	-63.51
CC[N@H+](CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C)C1CC1	REAL300029148533	0	53	0.0	-66.52	399.91	2.28	-64.24
CC[NH+](CC)CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029148548	0	55	0.0	-69.73	410.37	1.81	-67.92
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@@H+]1CCC(C)(O)C1	REAL300029148593	0	54	0.0	-69.29	409.96	-1.47	-70.76
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C=CC[NH+](C)C	REAL300029148600	0	50	0.0	-73.68	389.52	1.35	-72.33
CC(OCC[NH+](C)C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029148621	0	56	0.0	-69.72	429.21	1.94	-67.78
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CCOCC[NH+](C)C	REAL300029148629	0	56	0.0	-69.49	429.90	0.67	-68.82
COCCN(C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029148630	0	53	0.0	-69.76	403.28	-0.33	-70.09
COCC[N@H+](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029148630	1	53	0.0	-69.79	403.71	-0.25	-70.04
COCC[N@@H+](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029148630	1	53	0.0	-69.79	403.71	-0.25	-70.04
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1([NH+](C)C)CCCC1	REAL300029148659	0	56	0.0	-73.42	403.06	2.48	-70.94
CC(CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C)[NH+](C)C	REAL300029148662	0	55	0.0	-69.54	410.42	1.59	-67.95
CCN1CCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029148669	0	50	0.0	-67.28	378.15	0.77	-66.51
CC[N@@H+]1CCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029148669	1	50	0.0	-68.23	385.00	0.94	-67.29
CC[N@H+]1CCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029148669	1	50	0.0	-68.23	385.00	0.94	-67.29
CC(C)[N@@H+]1CCCC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)C1	REAL300029148679	0	59	0.0	-67.48	432.26	2.80	-64.68
CC(C)[N@H+]1CCCC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)C1	REAL300029148679	1	59	0.0	-67.48	432.26	2.80	-64.68
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@@H+]1CCCC1CO	REAL300029148691	0	54	0.0	-68.67	403.14	-1.69	-70.36
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CC2CCCC[N@@H+]2C1	REAL300029148713	0	57	0.0	-71.41	420.38	2.52	-68.89
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CC2CCCC[N@H+]2C1	REAL300029148713	1	57	0.0	-71.41	420.38	2.52	-68.89
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1(C)CC[NH+](C)CC1	REAL300029148719	0	56	0.0	-62.54	410.68	2.03	-60.51
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CC(C[NH+](C)C)=CN1	REAL300029148725	0	54	0.0	-73.04	419.95	1.46	-71.58
CC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C)N1CCC(O)CC1	REAL300029148739	0	57	0.0	-70.53	423.22	-1.16	-71.69
CC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C)[NH+]1CCC(O)CC1	REAL300029148739	1	57	0.0	-70.53	423.22	-1.16	-71.69
C=CCC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C)[NH+](C)C	REAL300029148747	0	53	0.0	-65.76	396.95	1.41	-64.35
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CC(C)(C)C[N@@H+]1C	REAL300029148757	0	56	0.0	-65.97	419.04	2.16	-63.81
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CCCCC[NH+](C)C	REAL300029148761	0	58	0.0	-71.46	439.94	2.79	-68.67
CC1C[N@@H+]2CCN1C(C(=O)NCC1CN(C(=O)C3=CC(=O)[N-]O3)CCN1C)C2	REAL300029148795	0	56	0.0	-76.48	406.51	-1.05	-77.53
CC1C[N@H+]2CCN1C(C(=O)NCC1CN(C(=O)C3=CC(=O)[N-]O3)CCN1C)C2	REAL300029148795	1	56	0.0	-76.48	406.51	-1.05	-77.53
CCCC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C)[NH+](C)C	REAL300029148796	0	55	0.0	-68.01	408.03	1.89	-66.12
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C(C)(C)[NH+](C)C	REAL300029148800	0	52	0.0	-64.20	381.59	0.56	-63.64
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CCCC[N@@H+]1C	REAL300029148838	0	53	0.0	-65.73	395.08	1.43	-64.30
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1=CC[N@H+](C)CC1	REAL300029148871	0	54	0.0	-69.37	412.70	2.47	-66.90
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1=CC[N@@H+](C)CC1	REAL300029148871	1	54	0.0	-68.10	412.22	2.19	-65.91
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1([NH+]2CCCC2)CC1	REAL300029148880	0	57	0.0	-66.27	418.68	2.87	-63.40
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CC=C(C[NH+](C)C)O1	REAL300029148924	1	53	0.0	-73.78	417.05	1.84	-71.94
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C=CC[NH+]1CCCC1	REAL300029148940	0	54	0.0	-71.63	413.93	2.20	-69.43
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CC[NH+](C2CC2)CC1	REAL300029148960	0	57	0.0	-69.83	422.97	2.99	-66.84
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1([NH+](C)C)CC1	REAL300029148979	0	50	0.0	-70.13	373.91	1.45	-68.68
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC[NH+]1CCCC1	REAL300029148981	0	53	0.0	-70.72	400.97	1.60	-69.12
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1C[NH+]2CCN1CC2	REAL300029149015	0	53	0.0	-73.19	389.90	-1.55	-74.74
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C12CC(C1)C[N@@H+]2C	REAL300029149025	0	51	0.0	-69.20	378.92	1.26	-67.94
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C12CC(C1)C[N@H+]2C	REAL300029149025	1	51	0.0	-71.23	385.23	1.17	-70.06
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@@H+]1CC2CCC1C2	REAL300029149037	0	54	0.0	-66.65	397.40	2.19	-64.46
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@H+]1CC2CCC1C2	REAL300029149037	1	54	0.0	-66.80	397.96	2.07	-64.73
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C=C1C[NH+]2CCC1CC2	REAL300029149077	0	55	0.0	-67.05	409.22	2.26	-64.79
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@@H+]1CC2C=CC1C2	REAL300029149087	1	52	0.0	-66.41	391.89	1.73	-64.68
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@H+]1CC2C=CC1C2	REAL300029149087	1	52	0.0	-66.20	392.75	1.97	-64.23
CC[NH+]1CCN(CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)CC1	REAL300029149117	0	58	0.0	-68.60	429.65	0.06	-68.54
CC(C[NH+](C)C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029149133	0	52	0.0	-64.60	391.47	1.69	-62.91
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1CCCC[N@@H+]1C	REAL300029149199	0	56	0.0	-71.26	412.25	2.18	-69.08
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1CCCC[N@H+]1C	REAL300029149199	1	56	0.0	-62.54	405.34	2.21	-60.33
CC1=C2C=C(C(=O)NCC3CN(C(=O)C4=CC(=O)[N-]O4)CCN3C)C=CN2C=[NH+]1	REAL300029149215	1	51	0.0	-71.69	405.73	4.01	-67.68
CC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C)[NH+]1CC(C)C1	REAL300029149216	1	53	0.0	-66.90	402.58	1.61	-65.29
CC1CC[N@@H+]1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029149219	1	50	0.0	-67.09	379.36	0.96	-66.13
CC1CC[N@H+]1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029149219	1	50	0.0	-67.99	384.71	1.03	-66.96
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC(O)C[NH+](C)C	REAL300029149223	0	53	0.0	-74.53	405.78	-1.12	-75.65
CC1C[N@H+](C)CC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)O1	REAL300029149249	1	54	0.0	-75.17	404.86	0.98	-74.19
CC1C[N@@H+](C)CC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)O1	REAL300029149249	1	54	0.0	-74.80	404.64	0.87	-73.93
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC[NH+]1CCC(O)CC1	REAL300029149258	0	57	0.0	-74.09	428.01	-1.03	-75.12
CCC[N@@H+]1CCCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029149260	0	59	0.0	-64.69	434.45	2.81	-61.88
CCC[N@H+]1CCCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029149260	1	59	0.0	-64.64	434.68	3.05	-61.59
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300029149328	0	53	0.0	-71.24	402.91	1.65	-69.59
CC(CC[NH+](C)C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029149336	0	55	0.0	-70.73	413.60	2.01	-68.72
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300029149356	0	57	0.0	-67.53	423.81	-0.78	-68.31
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O	REAL300029149356	1	57	0.0	-67.58	424.07	-0.90	-68.48
C#CC[N@H+]1CCCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029149362	1	55	0.0	-66.16	410.73	2.63	-63.53
C#CC[N@@H+]1CCCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029149362	1	55	0.0	-63.68	410.67	2.65	-61.03
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CN1CC[NH+](C)CC1	REAL300029149365	1	55	0.0	-69.62	412.40	-0.57	-70.19
CC[NH+]1CCN(CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)CC1	REAL300029149374	0	58	0.0	-68.60	429.65	0.06	-68.54
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CSC(N)=[NH2+]	REAL300029149398	0	44	0.0	-70.97	360.99	-3.17	-74.14
CC[N@@H+]1CCOCC1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029149431	0	57	0.0	-70.21	417.05	0.42	-69.79
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CCC([NH+](C)C)CC1	REAL300029149446	0	59	0.0	-68.77	425.37	2.56	-66.21
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1(CC[NH+](C)C)CC1	REAL300029149447	0	56	0.0	-74.50	428.78	2.53	-71.97
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300029149449	0	59	0.0	-65.15	425.46	2.52	-62.63
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1CC=CC[N@@H+]1C	REAL300029149450	0	54	0.0	-71.66	403.72	2.03	-69.63
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1CC=CC[N@H+]1C	REAL300029149450	1	54	0.0	-71.66	403.72	2.03	-69.63
C[C@@H](OCC[NH+](C)C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029149471	0	56	0.0	-65.11	429.02	1.72	-63.39
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CC2CCC(C1)[NH+]2C	REAL300029149496	0	57	0.0	-65.83	395.16	2.37	-63.46
CC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C)[NH+]1CCSCC1	REAL300029149598	1	54	0.0	-70.39	407.67	1.80	-68.59
CCC1C[NH+](CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)C1	REAL300029149600	1	53	0.0	-68.84	406.00	1.84	-67.00
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1([NH+]2CCCC2)CCC1	REAL300029149602	0	57	0.0	-67.52	414.57	2.69	-64.83
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)[C@@H]1CCC[N@H+]1C	REAL300029149610	1	50	0.0	-66.13	379.43	0.96	-65.17
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC[N@H+]1CCC(F)C1	REAL300029149617	1	53	0.0	-74.89	407.73	1.97	-72.92
COC1C[N@@H+](C)C(C)(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)C1	REAL300029149625	1	57	0.0	-69.44	421.20	0.71	-68.73
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC[NH+]1CCCCCC1	REAL300029149633	0	59	0.0	-71.76	427.28	2.53	-69.23
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[NH+]1CCCCC1	REAL300029149635	0	53	0.0	-68.85	395.10	1.79	-67.06
CC1C(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)CC[N@@H+]1C	REAL300029149645	0	53	0.0	-70.06	390.70	1.08	-68.98
CC1C(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)CC[N@H+]1C	REAL300029149645	1	53	0.0	-71.76	388.51	1.04	-70.72
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CCC1CCCC[N@@H+]1C	REAL300029149647	0	59	0.0	-69.08	434.01	2.82	-66.26
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CCC1CCCC[N@H+]1C	REAL300029149647	1	59	0.0	-68.50	434.55	2.83	-65.67
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CC[N@@H+]2CCOCC12	REAL300029149672	0	55	0.0	-64.75	408.17	0.30	-64.45
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CC[N@H+]2CCOCC12	REAL300029149672	1	55	0.0	-67.07	408.55	0.24	-66.83
CC1=[NH+]C=C2C=CC(C(=O)NCC3CN(C(=O)C4=CC(=O)[N-]O4)CCN3C)=CN21	REAL300029149677	0	51	0.0	-66.49	404.96	3.20	-63.29
CN1CCOCC1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C	REAL300029149690	0	54	0.0	-65.77	396.53	-0.30	-66.07
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1COCC[N@@H+]1C	REAL300029149690	1	54	0.0	-65.91	396.30	-0.48	-66.39
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1COCC[N@H+]1C	REAL300029149690	1	54	0.0	-65.77	396.53	-0.30	-66.07
CC1=C(C)[NH+]=C(CCC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)N1	REAL300029149697	1	54	0.0	-64.96	423.61	1.21	-63.75
CN1CCN(C(=O)C2CCC[N@@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029149867	0	50	0.0	-70.97	374.78	0.68	-70.29
CN1CCN(C(=O)C2CCC[N@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029149867	1	50	0.0	-71.72	375.43	0.72	-71.00
CN1CCN(C(=O)C2C[N@H+](C)CCO2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029149893	1	51	0.0	-83.88	389.36	0.38	-83.50
CN1CCN(C(=O)C2C[N@@H+](C)CCO2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029149893	1	51	0.0	-72.93	390.42	0.49	-72.44
CC1=[NH+]C=CN1CCCC(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029150053	1	54	0.0	-70.17	427.65	3.18	-66.99
CN1CCN(C(=O)CC[NH+]2CCOCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029150057	1	54	0.0	-76.36	411.95	0.30	-76.06
CN1CCN(C(=O)C23CCC[NH+]2CCC3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029150080	0	54	0.0	-66.47	393.46	1.50	-64.97
CN1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029150088	1	48	0.0	-76.82	384.89	3.39	-73.43
CN1CCN(C(=O)C2CCCC([NH+](C)C)C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029150139	0	59	0.0	-65.84	424.97	2.57	-63.27
CN1CCN(C(=O)CC2CC[N@H+](C)C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029150142	0	53	0.0	-75.03	402.84	1.86	-73.17
CN1CCN(C(=O)CC2CC[N@@H+](C)C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029150142	1	53	0.0	-75.65	403.08	1.89	-73.76
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029150153	0	52	0.0	-79.40	405.37	0.23	-79.17
CCC(C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029150158	0	52	0.0	-67.13	384.14	1.15	-65.98
CN1CCN(C(=O)CCCC[NH+](C)C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029150217	0	55	0.0	-74.79	421.99	2.44	-72.35
CC(C)C(C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029150239	0	55	0.0	-68.96	399.87	1.54	-67.42
CCC[N@H+](C)CCC(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029150241	0	55	0.0	-74.60	418.17	2.24	-72.36
CCC[N@@H+](C)CCC(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029150241	1	55	0.0	-74.53	418.22	2.25	-72.28
CCC[N@H+](C)CC(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029150246	0	52	0.0	-71.78	395.64	1.51	-70.27
CCC[N@@H+](C)CC(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029150246	1	52	0.0	-71.65	395.64	1.51	-70.14
CN1CCN(C(=O)C23CC[N@H+](C2)CCC3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029150268	0	54	0.0	-79.51	387.34	0.95	-78.56
CN1CCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029150268	1	54	0.0	-73.43	389.69	0.96	-72.47
CCCCCC[N@H+](C)CC(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029150294	0	61	0.0	-73.00	460.13	3.86	-69.14
CCCCCC[N@@H+](C)CC(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029150294	1	61	0.0	-72.97	460.11	3.84	-69.13
CC[NH+](CC)C(C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300029150298	0	61	0.0	-67.25	425.54	2.90	-64.35
CC1CC[NH+](CC(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029150328	0	56	0.0	-71.84	419.16	2.71	-69.13
CN1CCN(C(=O)COC2CC[NH+](C)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029150354	0	57	0.0	-78.74	436.64	2.40	-76.34
CN1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029150394	0	57	0.0	-71.35	420.86	2.79	-68.56
CN1CCN(C(=O)C2CC3CCCC[N@H+]3C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029150394	1	57	0.0	-73.05	420.47	2.76	-70.29
CN1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029150404	0	53	0.0	-68.60	404.61	1.55	-67.05
CC(C)[NH+]1CCC(C(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029150415	0	59	0.0	-67.28	428.91	2.65	-64.63
CC[N@H+](C)CCC(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029150435	0	52	0.0	-73.79	396.67	1.50	-72.29
CC[N@@H+](C)CCC(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029150435	1	52	0.0	-73.68	396.67	1.50	-72.18
CN1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029150459	0	59	0.0	-67.93	420.02	2.47	-65.46
CN1CCN(C(=O)C2C[NH+]3CCC2CC3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029150467	0	54	0.0	-75.84	393.97	1.71	-74.13
CN1CCN(C(=O)C2CC[NH+](C)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029150538	0	53	0.0	-77.08	400.37	1.66	-75.42
CC(C)[C@H](C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029150556	0	55	0.0	-70.63	398.86	1.89	-68.74
CC[NH+](CC)CC(F)C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029150640	0	55	0.0	-69.61	414.32	1.89	-67.72
CC(C)C[N@@H+]1CCC(C(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029150670	0	59	0.0	-67.39	437.25	2.93	-64.46
CC(C)C[N@H+]1CCC(C(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029150670	1	59	0.0	-71.65	440.02	3.19	-68.46
CN1CCN(C(=O)C2([NH+](C)C)CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029150673	0	53	0.0	-74.12	380.94	1.06	-73.06
CCC(C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029150704	0	58	0.0	-63.64	419.06	2.40	-61.24
CC1CCC[N@@H+]1CC(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029150724	0	53	0.0	-67.91	395.10	1.50	-66.41
CC1CCC[N@H+]1CC(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029150724	1	53	0.0	-67.71	395.27	1.62	-66.09
CC(C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300029150774	0	59	0.0	-66.96	423.96	2.48	-64.48
CC(C)[N@@H+]1CCCCC1C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029150776	0	59	0.0	-64.39	428.17	2.61	-61.78
CC(C)[N@H+]1CCCCC1C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029150776	1	59	0.0	-64.89	428.09	2.77	-62.12
CC(C)[N@@H+]1CCCC1C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029150796	0	56	0.0	-66.64	411.68	2.13	-64.51
CC(C)[N@H+]1CCCC1C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029150796	1	56	0.0	-68.75	403.86	2.13	-66.62
CC(C)[N@@H+]1CCCC1CC(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029150802	0	59	0.0	-65.59	427.84	2.26	-63.33
CC(C)[N@H+]1CCCC1CC(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029150802	1	59	0.0	-63.67	425.20	2.30	-61.37
CC(C)[C@@H](C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029150815	0	55	0.0	-67.18	397.47	1.78	-65.40
CC1CC[N@H+](CC(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029150834	0	53	0.0	-70.53	401.87	1.89	-68.64
CC1CC[N@@H+](CC(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029150834	1	53	0.0	-70.89	402.42	1.84	-69.05
CN1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029150838	0	56	0.0	-70.91	422.16	2.48	-68.43
CN1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029150838	1	56	0.0	-70.66	421.42	2.36	-68.30
CN1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029150839	0	58	0.0	-71.39	426.57	2.70	-68.69
CN1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029150839	1	58	0.0	-71.70	423.77	2.55	-69.15
CC[C@@H](C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029150847	0	52	0.0	-67.12	384.15	1.15	-65.97
CC1=[NH+]C=CN1CC(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029151028	1	48	0.0	-67.56	384.77	1.68	-65.88
CC(C[NH+]1CCOCC1)C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029151029	0	57	0.0	-75.21	425.91	0.74	-74.47
CN1CCN(C(=O)CCC[NH+]2CCCCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151045	0	59	0.0	-73.21	442.13	3.54	-69.67
CN1CCN(C(=O)C2=NOC(C[NH+](C)C)=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151060	1	52	0.0	-75.54	412.49	1.53	-74.01
CC1=C(C(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300029151061	0	51	0.0	-72.75	408.88	3.85	-68.90
CC(C)C1=[NH+]C=CN1CC(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029151093	1	54	0.0	-66.56	422.06	2.84	-63.72
CN1CCN(C(=O)C2CCCC3CCC[N@@H+]32)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151124	0	57	0.0	-68.20	411.90	2.62	-65.58
CN1CCN(C(=O)C2CCCC3CCC[N@H+]32)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151124	1	57	0.0	-68.88	408.80	2.41	-66.47
CC[N@@H+]1CCOC(C(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029151140	1	54	0.0	-70.29	400.24	0.95	-69.34
CC[N@H+]1CCOC(C(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029151140	1	54	0.0	-74.52	400.40	0.91	-73.61
CN1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151189	0	48	0.0	-72.71	384.65	3.37	-69.34
CC1=C[NH+]=CN1CC(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029151194	1	48	0.0	-71.19	385.09	2.39	-68.80
C[C@@H]1[C@H](C(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029151207	0	53	0.0	-74.75	390.74	1.37	-73.38
C[C@@H]1[C@H](C(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029151207	1	53	0.0	-73.55	398.86	1.63	-71.92
CC[C@@H]1[C@@H](C(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029151211	0	56	0.0	-69.62	413.93	1.77	-67.85
CC[C@@H]1[C@@H](C(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029151211	1	56	0.0	-73.24	415.75	2.20	-71.04
CC1CCC(C)[NH+]1CC(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029151222	0	56	0.0	-67.23	413.49	2.12	-65.11
CN1CCN(C(=O)CCC[NH+]2CCCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151228	0	56	0.0	-72.82	424.87	2.72	-70.10
C#CC[NH+]1CCC(C(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029151234	0	55	0.0	-77.49	423.54	2.92	-74.57
CN1CCN(C(=O)CC[NH+]2CCCCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151235	0	56	0.0	-73.03	420.63	2.73	-70.30
CC[N@@H+]1CCCCC1C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029151241	0	56	0.0	-68.36	403.39	1.82	-66.54
CC[N@H+]1CCCCC1C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029151241	1	56	0.0	-65.19	413.81	2.21	-62.98
CN1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151278	0	59	0.0	-75.24	420.38	2.74	-72.50
CN1CCN(C(=O)C[N@H+](C)C2CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151411	0	53	0.0	-69.38	402.53	2.08	-67.30
CN1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151411	1	53	0.0	-69.46	402.51	2.09	-67.37
CC(C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300029151433	0	59	0.0	-67.75	425.78	2.62	-65.13
CN1CCN(C(=O)CCCC[NH+]2CCCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151445	0	59	0.0	-73.44	447.90	3.60	-69.84
CN1CCN(C(=O)C2CC[NH+](C)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151456	0	53	0.0	-77.08	400.37	1.66	-75.42
CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151494	0	50	0.0	-67.94	376.74	0.98	-66.96
CN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151494	1	50	0.0	-71.18	374.71	0.55	-70.63
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029151516	1	52	0.0	-67.60	401.49	1.86	-65.74
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029151516	1	52	0.0	-66.18	408.91	2.40	-63.78
CN1CCN(C(=O)CCC2CCC[N@@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151522	0	56	0.0	-71.87	418.09	2.16	-69.71
CN1CCN(C(=O)CCC2CCC[N@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151522	1	56	0.0	-74.88	424.06	2.77	-72.11
CN1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151531	0	57	0.0	-69.04	404.90	1.74	-67.30
CN1CCN(C(=O)C2CCC3CCCC[N@@H+]32)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151534	0	57	0.0	-65.84	420.60	2.99	-62.85
CN1CCN(C(=O)C2CCC3CCCC[N@H+]32)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151534	1	57	0.0	-67.65	415.89	2.53	-65.12
CCC[N@@H+]1CCCC(C(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029151599	0	59	0.0	-72.40	431.70	3.21	-69.19
CCC[N@H+]1CCCC(C(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029151599	1	59	0.0	-68.73	437.08	2.97	-65.76
CC(C)[N@@H+]1CCOC(C(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029151614	1	57	0.0	-79.69	424.04	1.60	-78.09
CC(C)[N@H+]1CCOC(C(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029151614	1	57	0.0	-69.43	424.97	1.66	-67.77
CN1CCN(C(=O)C2CCCC[N@@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151637	0	53	0.0	-68.18	396.05	1.75	-66.43
CN1CCN(C(=O)C2CCCC[N@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151637	1	53	0.0	-68.07	395.89	1.77	-66.30
CC(C)C[N@@H+]1CCCC1C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029151658	0	59	0.0	-69.52	433.99	2.76	-66.76
CC(C)C[N@H+]1CCCC1C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029151658	1	59	0.0	-68.04	437.23	3.06	-64.98
CN1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151673	0	57	0.0	-72.94	429.99	-0.60	-73.54
CC1C(C(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029151714	0	53	0.0	-69.96	399.03	1.55	-68.41
CC1C(C(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029151714	1	53	0.0	-70.08	394.28	1.29	-68.79
CN1CCN(C(=O)CCC2CCCC[N@@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151716	0	59	0.0	-75.12	430.57	3.03	-72.09
CN1CCN(C(=O)CCC2CCCC[N@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151716	1	59	0.0	-70.67	437.80	3.10	-67.57
CN1CCN(C(=O)C2CC[N@@H+]2C(C)(C)C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151801	0	56	0.0	-67.75	396.09	1.53	-66.22
CN1CCN(C(=O)C2CC[N@H+]2C(C)(C)C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151801	1	56	0.0	-68.09	396.72	1.25	-66.84
C[C@@H](C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029151819	0	49	0.0	-68.52	372.32	0.56	-67.96
C=CCC(C)(C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029151835	0	56	0.0	-63.34	400.57	1.72	-61.62
CN1CCN(C(=O)CC[NH+]2CCCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151857	0	53	0.0	-73.19	404.73	1.89	-71.30
CN1CCN(C(=O)C[N@H+](C)CCO)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151867	1	50	0.0	-71.99	384.49	-2.46	-74.45
CN1CCN(C(=O)C[N@@H+](C)CCO)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151867	1	50	0.0	-72.13	384.47	-2.52	-74.65
CN1CCN(C(=O)C2C[N@@H+]3CCN2CCC3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151902	0	56	0.0	-79.72	402.06	-0.68	-80.40
CN1CCN(C(=O)C2C[N@H+]3CCN2CCC3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151902	1	56	0.0	-82.13	399.60	-0.53	-82.66
CC(C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300029151922	1	54	0.0	-71.92	413.45	2.17	-69.75
CN1CCN(C(=O)CC2=CC[N@H+](C)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151953	0	54	0.0	-70.70	415.61	2.60	-68.10
CN1CCN(C(=O)CC2=CC[N@@H+](C)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151953	1	54	0.0	-68.98	415.70	2.61	-66.37
CN1CCN(C(=O)C(O)CC[S+](C)C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151968	0	52	0.0	-75.19	417.21	-0.35	-75.54
CN1CCN(C(=O)C2(C)CC(O)C[N@@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151986	0	54	0.0	-71.05	393.98	-2.40	-73.45
CN1CCN(C(=O)C2(C)CC(O)C[N@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151986	1	54	0.0	-67.90	398.78	-2.41	-70.31
CN1CCN(C(=O)C2CN(C)CC[N@H+](C)C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151996	0	58	0.0	-68.71	424.89	0.02	-68.69
CN1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151996	1	58	0.0	-68.97	422.60	0.17	-68.80
CC(C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300029151997	0	57	0.0	-69.83	425.46	-0.98	-70.81
CC(C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300029151997	1	57	0.0	-70.61	423.94	-1.02	-71.63
CN1CCN(C(=O)CC2(O)CCC[N@H+](C)C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152026	0	57	0.0	-72.07	414.21	0.37	-71.70
CN1CCN(C(=O)CC2(O)CCC[N@@H+](C)C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152026	1	57	0.0	-68.60	416.88	0.32	-68.28
CC1C[NH+](CC(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029152030	1	50	0.0	-71.57	387.88	1.32	-70.25
CC[N@@H+]1CCCC(C(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029152036	0	56	0.0	-62.35	408.82	2.36	-59.99
CC[N@H+]1CCCC(C(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029152036	1	56	0.0	-71.29	418.10	2.29	-69.00
CN1CCN(C(=O)CC2=CC=C[NH+]=C2N)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152042	0	49	0.0	-68.12	390.64	-0.04	-68.16
CN1CCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152053	0	54	0.0	-69.45	404.89	2.18	-67.27
CN1CCN(C(=O)C2CCC[N@H+]2C2CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152053	1	54	0.0	-65.68	406.80	2.39	-63.29
CN1CCN(C(=O)C=CC[NH+]2CCCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152093	0	54	0.0	-72.79	415.90	2.39	-70.40
CN1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152114	0	57	0.0	-74.33	425.22	2.86	-71.47
CC[N@H+](C)CC(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029152157	0	49	0.0	-71.32	374.14	0.77	-70.55
CN1CCN(C(=O)CN2CC3C=CC2C3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152205	0	52	0.0	-67.88	395.49	1.99	-65.89
CN1CCN(C(=O)C[N@@H+]2CC3C=CC2C3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152205	1	52	0.0	-67.68	395.74	2.10	-65.58
CN1CCN(C(=O)C[N@H+]2CC3C=CC2C3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152205	1	52	0.0	-67.68	395.74	2.10	-65.58
CN1CCN(C(=O)C23CCC[N@@H+]2CCCC3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152322	0	57	0.0	-66.28	404.77	1.93	-64.35
CN1CCN(C(=O)C23CCC[N@H+]2CCCC3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152322	1	57	0.0	-66.28	404.77	1.93	-64.35
CN1CCN(C(=O)C23CCC[N@@H+]2CC=CC3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152329	0	55	0.0	-64.73	398.13	1.80	-62.93
CN1CCN(C(=O)C23CCC[N@H+]2CC=CC3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152329	1	55	0.0	-64.73	398.13	1.80	-62.93
CC(OCC[NH+](C)C)C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029152339	0	56	0.0	-70.59	427.76	1.80	-68.79
CN1CCN(C(=O)CCOCC[NH+](C)C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152348	0	56	0.0	-71.77	433.39	1.10	-70.67
COCCN(C)CC(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029152350	0	53	0.0	-72.05	406.73	-0.12	-72.17
COCC[N@H+](C)CC(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029152350	1	53	0.0	-72.27	406.74	-0.06	-72.33
COCC[N@@H+](C)CC(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029152350	1	53	0.0	-72.27	406.74	-0.06	-72.33
CC(CCC(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029152355	0	55	0.0	-76.07	410.22	1.99	-74.08
CC[N@H+](CC(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029152378	0	53	0.0	-68.58	402.16	2.09	-66.49
CC1C[N@@H+]2CCN1C(C(=O)N1CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029152393	0	56	0.0	-79.88	405.91	-1.23	-81.11
CN1CCN(C(=O)C23CC(C2)C[N@@H+]3C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152416	0	51	0.0	-63.46	383.30	1.42	-62.04
CN1CCN(C(=O)C[N@@H+]2CC3CCC2C3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152430	0	54	0.0	-68.17	400.76	2.01	-66.16
CN1CCN(C(=O)C[N@H+]2CC3CCC2C3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152430	1	54	0.0	-68.17	400.76	2.01	-66.16
CC(C[NH+](C)C)C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029152449	0	52	0.0	-66.49	393.99	1.22	-65.27
CCN1CCC1C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029152496	0	50	0.0	-71.00	387.18	1.13	-69.87
CC[N@@H+]1CCC1C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029152496	1	50	0.0	-70.83	386.86	1.07	-69.76
CC[N@H+]1CCC1C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029152496	1	50	0.0	-70.83	386.86	1.07	-69.76
CC(C)[N@@H+]1CCCC(C(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029152508	0	59	0.0	-70.20	434.76	2.79	-67.41
CC(C)[N@H+]1CCCC(C(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029152508	1	59	0.0	-70.20	434.76	2.79	-67.41
CCC(C)(C)[NH2+]C(C)C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029152522	0	58	0.0	-69.76	421.28	0.66	-69.10
C#CCN1CCCCC1C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029152562	0	55	0.0	-68.08	421.21	2.80	-65.28
C#CC[N@H+]1CCCCC1C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029152562	1	55	0.0	-68.51	411.13	2.55	-65.96
C#CC[N@@H+]1CCCCC1C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029152562	1	55	0.0	-68.51	411.13	2.55	-65.96
CNC1=NC(C)=CC=C1C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029152563	0	52	0.0	-65.36	408.58	0.80	-64.56
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029152563	1	52	0.0	-65.36	408.58	0.80	-64.56
CCCC(C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029152573	0	55	0.0	-67.75	405.64	1.92	-65.83
CN1CCN(C(=O)C(C)(C)[NH+](C)C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152580	0	52	0.0	-72.87	377.15	0.71	-72.16
CC(CC[NH+](C)C)C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029152598	0	55	0.0	-73.60	416.88	2.02	-71.58
CN1CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152663	0	55	0.0	-68.55	409.25	3.48	-65.07
CN1CCN(C(=O)C2CC(C)(C)C[N@@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152694	0	56	0.0	-70.81	409.28	1.68	-69.13
CN1CCN(C(=O)C2CC(C)(C)C[N@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152694	1	56	0.0	-70.81	409.28	1.68	-69.13
CN1CCN(C(=O)CCCCC[NH+](C)C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152698	0	58	0.0	-73.88	443.49	3.22	-70.66
CN1CCN(C(=O)CC[NH+]2CCC(O)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152702	0	57	0.0	-76.71	431.27	-0.65	-77.36
CCC[N@@H+]1CCCCC1C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029152706	0	59	0.0	-68.87	428.10	2.71	-66.16
CCC[N@H+]1CCCCC1C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029152706	1	59	0.0	-68.87	428.10	2.71	-66.16
CN1CCN(CC(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029152715	0	55	0.0	-71.43	415.30	-0.44	-71.87
CN1CCN(C(=O)CN2CC[NH+](C)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152715	1	55	0.0	-71.43	415.30	-0.44	-71.87
CC1CN(C)CC(C(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029152803	0	54	0.0	-73.66	411.16	1.21	-72.45
CC1C[N@H+](C)CC(C(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029152803	1	54	0.0	-82.68	403.38	0.77	-81.91
CC1C[N@@H+](C)CC(C(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029152803	1	54	0.0	-82.68	403.38	0.77	-81.91
CCC1CCC[N@H+](CC(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029152835	0	59	0.0	-71.53	437.55	3.34	-68.19
CCC1CCC[N@@H+](CC(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029152835	1	59	0.0	-71.53	437.55	3.34	-68.19
CN1CCN(C(=O)C[NH+]2CC3CC3C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152856	0	51	0.0	-71.58	391.87	1.99	-69.59
CN1CCN(C(=O)CC2([NH+]3CCCC3)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152869	0	57	0.0	-68.85	421.59	2.91	-65.94
CN1CCN(C(=O)C2CCCC[N@@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152905	0	53	0.0	-68.18	396.05	1.75	-66.43
CN1CCN(C(=O)C2CCCC[N@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152905	1	53	0.0	-68.07	395.89	1.77	-66.30
CN1CCN(C(=O)C=C2CC[N@H+](C)C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153018	0	51	0.0	-76.22	393.26	1.84	-74.38
CN1CCN(C(=O)C=C2CC[N@@H+](C)C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153018	1	51	0.0	-76.07	393.00	1.69	-74.38
CN1CCN(C(=O)CNC2=CC=[NH+]C=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153023	0	49	0.0	-72.04	392.34	-0.49	-72.53
CC[NH+]1CCN(CC(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029153077	0	58	0.0	-71.34	432.82	0.37	-70.97
CN1CCN(C(=O)C=C2C[NH+]3CCC2CC3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153080	0	55	0.0	-68.10	411.69	2.51	-65.59
CN1CCN(C(=O)C2([NH+](C)C)CCCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153114	0	56	0.0	-69.68	386.69	1.58	-68.10
CN1CCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153125	0	57	0.0	-70.05	427.39	-0.66	-70.71
CN1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153125	1	57	0.0	-68.47	427.40	-0.69	-69.16
CCC1C[NH+](CC(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029153129	0	53	0.0	-72.53	409.25	2.08	-70.45
CN1CCN(C(=O)C2([NH+]3CCCC3)CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153133	0	57	0.0	-67.68	412.82	2.15	-65.53
CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153146	0	50	0.0	-71.72	375.13	0.65	-71.07
CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153146	1	50	0.0	-67.55	381.50	1.10	-66.45
CC[N@@H+]1CCOCC1CC(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029153172	0	57	0.0	-74.58	419.99	0.65	-73.93
CN1CCN(C(=O)C2=CC=C3NC(N)=NC3=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153252	0	50	0.0	-71.60	398.90	1.11	-70.49
CN1CCN(C(=O)C2=CC=C3NC(N)=[NH+]C3=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153252	1	50	0.0	-71.60	398.90	1.11	-70.49
CN1CCN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153286	0	53	0.0	-71.71	405.80	1.95	-69.76
CN1CCN(C(=O)C2CCC([NH+](C)C)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153300	0	59	0.0	-70.08	432.65	2.88	-67.20
CN1CCN(C(=O)C2(CC[NH+](C)C)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153301	0	56	0.0	-71.97	427.63	2.79	-69.18
CN1CCN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153303	0	59	0.0	-65.08	424.89	2.60	-62.48
CN1CCN(C(=O)CC2CC=CC[N@@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153304	0	54	0.0	-66.24	402.77	2.27	-63.97
CN1CCN(C(=O)CC2CC=CC[N@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153304	1	54	0.0	-66.24	402.77	2.27	-63.97
CN1CCN(C(=O)COCC[NH+](C)C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153361	0	53	0.0	-72.35	412.55	1.35	-71.00
CCCCC[N@H+](C)CCC(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029153366	0	61	0.0	-75.47	461.22	3.81	-71.66
CCCCC[N@@H+](C)CCC(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029153366	1	61	0.0	-75.47	461.22	3.81	-71.66
CN1CCN(C(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153377	0	57	0.0	-72.54	431.76	1.91	-70.63
CN1CCN(C(=O)CN2C=CSC2=[NH2+])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153401	0	46	0.0	-66.66	383.47	0.29	-66.37
C[C@@H](OCC[NH+](C)C)C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029153469	0	56	0.0	-70.71	427.78	1.78	-68.93
CN1CCN(C(=O)CC[NH+]2CCCCCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153506	0	59	0.0	-74.95	430.65	2.93	-72.02
CN1CCN(C(=O)C[NH+]2CCCCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153510	0	53	0.0	-71.18	398.14	1.97	-69.21
CN1CCN(C(=O)C2CCC[N@H+](C)C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153512	0	53	0.0	-73.63	391.72	1.54	-72.09
CN1CCN(C(=O)C2CCC[N@@H+](C)C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153512	1	53	0.0	-67.15	392.62	1.79	-65.36
CN1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153513	0	57	0.0	-72.94	429.99	-0.60	-73.54
CN1CCN(C(=O)C[NH+]2CCCCCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153514	0	56	0.0	-70.95	407.52	2.15	-68.80
CN1C=C[N+](CC(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029153519	0	48	0.0	-68.60	387.85	3.75	-64.85
CN1CCN(C(=O)C2=CC=C(C[NH+](C)C)O2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153535	1	53	0.0	-78.76	416.71	1.89	-76.87
CN1CCN(C(=O)C[NH+]2CCC(O)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153551	1	54	0.0	-76.19	409.40	-1.26	-77.45
CN1CCN(C(=O)C[N@@H+](C)C2CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153556	1	50	0.0	-68.13	385.84	1.63	-66.50
CC(C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300029153558	1	58	0.0	-71.61	425.48	-0.07	-71.68
CN1CCN(C(=O)CC[N@H+]2CCC(F)C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153560	1	53	0.0	-78.30	410.77	2.09	-76.21
COC1C[N@@H+](C)C(C)(C(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029153569	1	57	0.0	-67.62	418.24	-0.54	-68.16
CC(CC(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029153586	0	55	0.0	-73.80	413.74	2.27	-71.53
CN1CCN(C(=O)C2CC[N@@H+]3CCOCC23)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153600	0	55	0.0	-75.52	412.68	0.40	-75.12
CN1CCN(C(=O)C2CC[N@H+]3CCOCC23)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153600	1	55	0.0	-69.50	405.56	0.32	-69.18
CC1=[NH+]C=C2C=CC(C(=O)N3CCN(C)C(CNC(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300029153605	0	51	0.0	-68.29	412.67	3.36	-64.93
CN1CCOCC1CC(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029153618	0	54	0.0	-66.71	399.53	-0.17	-66.88
CN1CCN(C(=O)CC2COCC[N@@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153618	1	54	0.0	-78.34	407.05	0.08	-78.26
CN1CCN(C(=O)CC2COCC[N@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153618	1	54	0.0	-66.71	399.53	-0.17	-66.88
CC[NH+]1CCN(CC(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029153626	0	58	0.0	-71.34	432.82	0.37	-70.97
CC1=CC(N)=[NH+]C=C1C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029153678	1	49	0.0	-71.35	387.28	-0.59	-71.94
CN1CCN(C(=O)CCC2=CC=C(N)[NH+]=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153681	0	52	0.0	-71.75	415.64	0.79	-70.96
CN1CCN(C(=O)C[N@H+]2CCC(C)(O)C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153718	1	54	0.0	-70.32	412.57	-1.36	-71.68
CN1CCN(C(=O)CC2C[NH+](C)C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153750	0	50	0.0	-72.67	387.97	1.10	-71.57
CN1CCN(C(=O)C2CC[N@@H+]2C2CCCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153755	0	57	0.0	-71.15	428.29	3.17	-67.98
CN1CCN(C(=O)C2CC[N@H+]2C2CCCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153755	1	57	0.0	-72.01	426.18	2.95	-69.06
CN1CCN(C(=O)C[NH+](C)C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153763	0	46	0.0	-72.00	356.57	0.22	-71.78
CN1CCN(C(=O)CC[N@H+](C)CCO)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153791	0	53	0.0	-73.73	407.08	-1.71	-75.44
CN1CCN(C(=O)CC[N@@H+](C)CCO)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153791	1	53	0.0	-73.11	406.79	-1.73	-74.84
C[C@@H](C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029153792	0	49	0.0	-68.52	372.32	0.56	-67.96
CN1CCN(C(=O)CC2CCCC[N@@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153811	0	56	0.0	-63.39	408.33	2.33	-61.06
CN1CCN(C(=O)CC2CCCC[N@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153811	1	56	0.0	-63.43	408.38	2.36	-61.07
CC1=C2C=C(C(=O)N3CCN(C)C(CNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029153830	1	51	0.0	-73.15	413.26	4.17	-68.98
CC(C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300029153831	0	53	0.0	-65.35	405.57	1.72	-63.63
CC1CCN1CC(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029153835	0	50	0.0	-69.12	382.40	1.03	-68.09
CC1CC[N@@H+]1CC(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029153835	1	50	0.0	-69.40	382.13	0.93	-68.47
CC1CC[N@H+]1CC(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029153835	1	50	0.0	-69.12	382.40	1.03	-68.09
CN1CCN(C(=O)C=CC[NH+](C)C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153848	0	50	0.0	-76.57	392.51	1.36	-75.21
CN1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153861	1	53	0.0	-71.82	406.96	1.80	-70.02
CC1=C(C)[NH+]=C(CCC(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029153877	1	54	0.0	-67.27	426.92	1.56	-65.71
CC1=C2C=C(C(=O)N3CCN(C)C(CNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029153888	1	51	0.0	-73.15	413.26	4.17	-68.98
CN1CCN(C(=O)CSCC[NH+](C)C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153897	0	53	0.0	-77.72	423.58	2.24	-75.48
CN1CCN(C(=O)C[N@@H+]2CCCC2CO)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153922	0	54	0.0	-70.45	406.04	-1.85	-72.30
CN1CCN(C(=O)C[N@H+]2CCCC2CO)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153922	1	54	0.0	-70.76	411.17	-1.13	-71.89
CC[NH+](CC)CC(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029153926	0	52	0.0	-69.69	388.00	1.33	-68.36
CN1CCN(C(=O)C[N@H+](C)C2CCSC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153936	0	54	0.0	-77.14	415.96	2.46	-74.68
CN1CCN(C(=O)C[N@@H+](C)C2CCSC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153936	1	54	0.0	-76.45	415.92	2.47	-73.98
CN1CCN(C(=O)C[NH+]2CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153938	1	47	0.0	-71.91	366.79	0.67	-71.24
CC[NH+](CC)CCC(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029153984	0	55	0.0	-73.25	409.89	1.88	-71.37
CN1CCN(C(=O)C2=CC(C[NH+](C)C)=CN2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029154045	0	54	0.0	-75.67	419.21	1.74	-73.93
CC(C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300029154062	0	57	0.0	-66.66	416.77	-1.22	-67.88
CN1CCN(C(=O)C2CC3COCC[N@@H+]3C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029154068	0	55	0.0	-73.83	412.43	0.41	-73.42
CN1CCN(C(=O)C2CC3COCC[N@H+]3C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029154068	1	55	0.0	-74.29	411.09	0.37	-73.92
CC(C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029154082	1	50	0.0	-65.18	375.62	0.81	-64.37
CCC(CC(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029154088	0	58	0.0	-73.60	429.32	2.97	-70.63
CN1CCN(C(=O)C=CC2=CC=C(N)[NH+]=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029154095	0	50	0.0	-69.21	402.74	0.47	-68.74
CN1CCN(C(=O)C(C)(C)C[NH+](C)C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029154096	0	55	0.0	-74.98	392.36	1.63	-73.35
CN1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029154153	0	53	0.0	-67.87	397.01	1.78	-66.09
CN1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029154153	1	53	0.0	-69.33	385.56	1.35	-67.98
CC1CN2CC[N@@H+]1CC2C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029154167	0	56	0.0	-72.79	405.87	-1.30	-74.09
CC1CN2CC[N@H+]1CC2C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029154167	1	56	0.0	-77.55	405.96	-1.17	-78.72
CN1CCN(C(=O)CC(O)C[NH+](C)C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029154188	0	53	0.0	-77.58	409.20	-0.70	-78.28
CN1CCN(C(=O)C2CC3CCC(C2)[NH+]3C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029154190	0	57	0.0	-66.28	401.49	1.94	-64.34
C=CCC(C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029154222	0	53	0.0	-66.23	397.50	1.67	-64.56
CN1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029154230	0	57	0.0	-71.35	420.86	2.79	-68.56
CN1CCN(C(=O)C2CC3CCCC[N@H+]3C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029154230	1	57	0.0	-73.05	420.47	2.76	-70.29
CN1CCN(C(=O)C2(C)CC[NH+](C)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029154241	0	56	0.0	-69.19	405.01	1.77	-67.42
CN1CCN(C(=O)CC2(O)CC[NH+](C)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029154243	0	57	0.0	-73.27	427.16	0.64	-72.63
CC1=C2C=C(C(=O)NCC3CN(C(=O)C4=CC(=O)[N-]O4)CCN3C)C=CN2C=[NH+]1	REAL300029154318	1	51	0.0	-71.69	405.73	4.01	-67.68
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CSCC[NH+](C)C	REAL300029154327	0	53	0.0	-74.62	419.97	1.80	-72.82
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CC2COCC[N@@H+]2C1	REAL300029154335	0	55	0.0	-68.72	411.33	0.20	-68.52
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CC2COCC[N@H+]2C1	REAL300029154335	1	55	0.0	-69.43	411.79	0.30	-69.13
C[N@@H+]1CCCC1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029154494	0	45	0.0	-71.12	358.67	2.55	-68.57
C[N@H+]1CCCC1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029154494	1	45	0.0	-74.64	353.30	1.94	-72.70
C[N@@H+]1CCOC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029154518	1	46	0.0	-87.33	370.63	1.88	-85.45
C[N@H+]1CCOC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029154518	1	46	0.0	-75.15	362.58	1.78	-73.37
CC(C)C1=[NH+]C=CN1CCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029154693	1	52	0.0	-69.82	421.97	4.77	-65.05
CC(C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300029154700	0	54	0.0	-70.38	402.18	3.90	-66.48
CC(C)[N@@H+]1CCCCC1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029154702	0	54	0.0	-68.51	406.36	3.92	-64.59
CC(C)[N@H+]1CCCCC1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029154702	1	54	0.0	-68.82	399.38	4.00	-64.82
CC(C)[N@@H+]1CCCC1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029154728	0	51	0.0	-69.61	391.48	3.56	-66.05
CC(C)[N@H+]1CCCC1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029154728	1	51	0.0	-69.66	392.04	3.55	-66.11
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@@H+]2C1	REAL300029154752	0	52	0.0	-74.69	399.94	4.20	-70.49
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@H+]2C1	REAL300029154752	1	52	0.0	-73.59	400.04	4.15	-69.44
CC(C)C1=[NH+]C=CN1CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029154780	1	49	0.0	-69.37	398.04	4.20	-65.17
CC1=[NH+]C=CN1CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029154828	1	43	0.0	-70.28	361.83	3.08	-67.20
CC(C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029154830	0	52	0.0	-76.65	403.65	2.20	-74.45
O=C(CCC[NH+]1CCCCC1)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029154850	0	54	0.0	-76.24	417.65	4.68	-71.56
CC(C)(C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300029154874	0	54	0.0	-49.70	391.28	5.48	-44.22
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCC1CC2	REAL300029154890	0	49	0.0	-80.55	374.48	3.21	-77.34
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1CCCC2CCC[N@@H+]21	REAL300029154941	0	52	0.0	-67.03	397.54	4.25	-62.78
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1CCCC2CCC[N@H+]21	REAL300029154941	1	52	0.0	-70.86	389.89	4.00	-66.86
C[NH+](C)CCN1C=C(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C=N1	REAL300029154943	0	51	0.0	-82.51	416.65	2.98	-79.53
C[NH+](C)CCN1C=CC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)=N1	REAL300029154953	0	51	0.0	-88.09	417.03	2.97	-85.12
C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029154959	0	48	0.0	-77.77	369.81	2.57	-75.20
C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029154959	1	48	0.0	-77.42	373.92	3.18	-74.24
CCC1=[NH+]C=CN1C(C)CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029154962	1	52	0.0	-69.78	418.36	4.65	-65.13
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029154965	0	51	0.0	-77.54	389.84	3.09	-74.45
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029154965	1	51	0.0	-74.98	394.27	3.69	-71.29
CC[N@@H+]1CCOC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029154988	1	49	0.0	-85.11	387.40	2.55	-82.56
CC[N@H+]1CCOC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029154988	1	49	0.0	-74.74	380.40	2.42	-72.32
CC[NH+](CC)CC(F)C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029155041	0	50	0.0	-75.59	390.29	3.10	-72.49
C[NH+](C)CC1=C(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)SC=C1	REAL300029155042	0	48	0.0	-62.10	398.83	4.01	-58.09
CC1CCC(C)[NH+]1CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029155137	0	51	0.0	-70.38	389.24	3.35	-67.03
O=C(CCC[NH+]1CCCC1)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029155143	0	51	0.0	-75.89	400.95	3.92	-71.97
C[NH+](C)CC1=CC=CC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029155144	0	51	0.0	-78.31	410.30	4.91	-73.40
C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029155151	0	50	0.0	-83.54	401.60	4.28	-79.26
O=C(CC[NH+]1CCCCC1)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029155152	0	51	0.0	-75.52	396.39	3.87	-71.65
C[NH+](C)CC1=CC=CC=C1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029155156	0	51	0.0	-60.91	403.28	5.17	-55.74
CC[N@@H+]1CCCCC1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029155163	0	51	0.0	-70.46	391.98	3.69	-66.77
CC[N@H+]1CCCCC1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029155163	1	51	0.0	-69.00	393.07	3.63	-65.37
CC(C)C(C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300029155164	0	57	0.0	-69.45	423.29	5.46	-63.99
C[NH+](C)C(C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300029155167	1	51	0.0	-72.68	407.02	4.94	-67.74
CC(C)C[N@@H+]1CCC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029155187	0	54	0.0	-75.58	418.40	4.42	-71.16
CC(C)C[N@H+]1CCC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029155187	1	54	0.0	-75.64	417.19	4.44	-71.20
C[NH+](C)C1(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029155191	0	48	0.0	-56.19	354.09	4.71	-51.48
C[NH+](C)C(CN1C=CC=N1)C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029155192	1	51	0.0	-70.10	407.85	3.23	-66.87
CC(C)[N@@H+]1CCCC1CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029155197	0	54	0.0	-64.76	401.30	4.02	-60.74
CC(C)[N@H+]1CCCC1CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029155197	1	54	0.0	-73.95	411.74	4.05	-69.90
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@@H+]1C1CCCC1	REAL300029155198	0	55	0.0	-71.07	415.21	4.97	-66.10
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@H+]1C1CCCC1	REAL300029155198	1	55	0.0	-72.58	419.25	4.81	-67.77
CC(C)[C@@H](C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029155217	0	50	0.0	-73.65	382.69	3.64	-70.01
C[N@H+](CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029155273	0	48	0.0	-71.66	378.27	3.42	-68.24
C[N@@H+](CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029155273	1	48	0.0	-72.19	378.52	3.45	-68.74
CC(C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300029155348	0	54	0.0	-68.31	405.35	3.86	-64.45
CN(CCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC=[NH+]C=C1	REAL300029155412	0	50	0.0	-72.57	407.95	3.09	-69.48
C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029155422	1	47	0.0	-72.67	378.77	3.21	-69.46
C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029155422	1	47	0.0	-72.09	385.75	3.70	-68.39
C[N@@H+]1CCCC1CCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029155430	0	51	0.0	-74.30	395.09	3.45	-70.85
C[N@H+]1CCCC1CCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029155430	1	51	0.0	-78.82	395.79	3.80	-75.02
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+](CCC1)C2	REAL300029155442	0	52	0.0	-75.27	390.59	3.62	-71.65
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1CCC2CCCC[N@@H+]21	REAL300029155449	0	52	0.0	-72.25	395.30	3.94	-68.31
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1CCC2CCCC[N@H+]21	REAL300029155449	1	52	0.0	-70.33	394.16	3.90	-66.43
CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029155457	0	55	0.0	-75.25	416.84	2.63	-72.62
O=C(CCCC[NH+]1CCCC1)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029155476	0	54	0.0	-76.92	424.56	4.74	-72.18
C[N@H+](CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029155478	1	51	0.0	-78.64	409.04	5.03	-73.61
C[N@@H+](CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029155478	1	51	0.0	-79.11	409.94	5.01	-74.10
C[NH+]1CCC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029155493	0	48	0.0	-80.93	376.91	3.13	-77.80
C[NH+](C)CC1=CC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)=NO1	REAL300029155547	1	47	0.0	-80.82	390.41	2.44	-78.38
CC1=C(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300029155548	0	46	0.0	-75.18	376.22	5.30	-69.88
C[N@@H+]1CCCCC1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029155583	0	48	0.0	-71.43	375.14	3.03	-68.40
C[N@H+]1CCCCC1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029155583	1	48	0.0	-69.75	375.08	3.03	-66.72
CC(C)C[N@@H+]1CCCC1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029155610	0	54	0.0	-70.99	416.87	4.62	-66.37
CC(C)C[N@H+]1CCCC1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029155610	1	54	0.0	-70.48	415.99	4.63	-65.85
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1=CN2C=[NH+]C=C2C=C1	REAL300029155740	0	43	0.0	-75.83	362.51	4.98	-70.85
CC1=[NH+]C=CN1CCCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029155750	1	49	0.0	-73.00	403.15	4.36	-68.64
O=C(CCCC[NH+]1CCOCC1)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029155754	1	55	0.0	-79.81	430.65	3.04	-76.77
C[NH+](C)CC1=CC=C(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300029155760	0	51	0.0	-84.94	410.51	4.94	-80.00
O=C(CC[NH+]1CCOCC1)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029155761	1	49	0.0	-78.83	387.14	1.43	-77.40
CCC[NH+](CCC)CCCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029155783	0	59	0.0	-76.69	449.87	5.38	-71.31
CC1=C[NH+]=CN1CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029155801	1	43	0.0	-73.96	362.14	3.79	-70.17
O=C(CN1C=[NH+]C2=C1CCCC2)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029155808	1	50	0.0	-73.74	403.75	5.52	-68.22
C[NH+](C)CC1(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL300029155849	0	57	0.0	-60.81	388.08	6.38	-54.43
C[N@H+](CCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300029155855	0	57	0.0	-77.69	430.56	5.04	-72.65
C[N@@H+](CCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300029155855	1	57	0.0	-77.46	430.56	5.05	-72.41
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+]1CCC2	REAL300029155857	0	49	0.0	-77.11	377.01	3.43	-73.68
C[NH+](C)C1CCCC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029155894	0	54	0.0	-74.32	410.98	4.28	-70.04
C[N@@H+]1CCC(CC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029155897	0	48	0.0	-77.84	378.48	3.05	-74.79
C[N@H+]1CCC(CC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029155897	1	48	0.0	-77.05	379.05	3.05	-74.00
CN(C)C1=CC=[NH+]C=C1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029155909	0	47	0.0	-85.16	383.96	2.24	-82.92
CCC(C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029155914	0	47	0.0	-69.59	361.27	2.55	-67.04
C[NH+](C)C1(CC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029155931	0	54	0.0	-79.00	396.03	3.87	-75.13
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC2=C[NH+]=CN2C=C1	REAL300029155986	1	43	0.0	-81.62	362.78	4.99	-76.63
C[NH+](C)CCCCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029156055	0	50	0.0	-78.41	398.59	3.56	-74.85
CC(C)C(C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029156076	0	50	0.0	-71.67	378.79	3.35	-68.32
CCC[N@H+](C)CCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029156078	0	50	0.0	-77.46	394.83	3.38	-74.08
CCC[N@@H+](C)CCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029156078	1	50	0.0	-77.42	394.82	3.38	-74.04
CCC[N@H+](C)CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029156084	0	47	0.0	-74.28	372.46	2.83	-71.45
CCC[N@@H+](C)CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029156084	1	47	0.0	-74.04	371.61	2.85	-71.19
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C12CC[N@H+](C1)CCC2	REAL300029156111	0	49	0.0	-83.64	375.36	2.66	-80.98
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C12CC[N@@H+](C1)CCC2	REAL300029156111	1	49	0.0	-76.63	374.25	2.68	-73.95
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029156161	0	45	0.0	-73.07	353.37	1.98	-71.09
C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029156161	1	45	0.0	-70.67	358.13	2.51	-68.16
CC1CC2CCC(C(=O)NC[C@@H]3C[C@H](F)CN3C(=O)C3=CC(=O)[N-]O3)C[N@@H+]2C1	REAL300029156185	0	55	0.0	-67.03	414.55	4.97	-62.06
CC1CC2CCC(C(=O)NC[C@@H]3C[C@H](F)CN3C(=O)C3=CC(=O)[N-]O3)C[N@H+]2C1	REAL300029156185	1	55	0.0	-72.69	420.39	4.81	-67.88
CCCCCC[N@H+](C)CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029156230	0	56	0.0	-75.22	436.11	5.20	-70.02
CCCCCC[N@@H+](C)CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029156230	1	56	0.0	-75.59	436.96	5.18	-70.41
CC[NH+](CC)C(C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300029156237	0	56	0.0	-66.59	415.15	4.66	-61.93
CC[NH+](CC)CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029156246	0	47	0.0	-72.05	367.56	2.76	-69.29
CCC[N@@H+]1CCCC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029156279	0	54	0.0	-73.89	416.13	4.48	-69.41
CCC[N@H+]1CCCC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029156279	1	54	0.0	-74.40	416.10	4.48	-69.92
CC(C)[N@@H+]1CCOC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029156300	0	52	0.0	-82.82	404.15	3.06	-79.76
CC(C)[N@H+]1CCOC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029156300	1	52	0.0	-84.46	404.31	3.09	-81.37
CC1CC[NH+](CC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029156336	0	51	0.0	-74.80	395.20	3.92	-70.88
C[NH+]1CCC(OCC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029156370	0	52	0.0	-82.23	412.35	3.56	-78.67
C[NH+](C)CC1(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029156385	0	48	0.0	-70.21	367.06	4.39	-65.82
CC1=[NH+]C=C2CCC(C(=O)NC[C@@H]3C[C@H](F)CN3C(=O)C3=CC(=O)[N-]O3)CN21	REAL300029156386	1	50	0.0	-69.61	400.00	4.21	-65.40
CC(C)[NH+]1CCC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029156476	0	54	0.0	-77.89	407.59	4.08	-73.81
C[NH+]1CCC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029156500	0	48	0.0	-80.93	376.91	3.13	-77.80
CC(C)[C@H](C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029156521	0	50	0.0	-71.58	383.27	3.55	-68.03
CCC(C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300029156555	0	53	0.0	-66.73	397.70	3.79	-62.94
CC[N@H+](C)CCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029156629	0	47	0.0	-76.72	373.33	2.63	-74.09
CC[N@@H+](C)CCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029156629	1	47	0.0	-76.70	373.33	2.64	-74.06
CC1CCC[N@@H+]1CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029156696	0	48	0.0	-70.37	371.08	2.84	-67.53
CC1CCC[N@H+]1CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029156696	1	48	0.0	-71.70	378.51	3.21	-68.49
CC1CC[N@H+](CC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029156698	0	48	0.0	-73.37	377.66	3.20	-70.17
CC1CC[N@@H+](CC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029156698	1	48	0.0	-73.72	379.07	3.19	-70.53
CC1=[NH+]C=C2CC(C(=O)NC[C@@H]3C[C@H](F)CN3C(=O)C3=CC(=O)[N-]O3)CCN21	REAL300029156700	1	50	0.0	-73.45	401.70	4.19	-69.26
CC1(C)CC[N@H+](CC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029156703	0	51	0.0	-73.74	398.66	3.67	-70.07
CC1(C)CC[N@@H+](CC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029156703	1	51	0.0	-73.30	397.02	3.69	-69.61
C[N@H+](CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029156704	0	53	0.0	-74.21	400.47	3.79	-70.42
C[N@@H+](CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029156704	1	53	0.0	-73.99	402.02	3.99	-70.00
CC[C@@H](C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029156715	0	47	0.0	-70.57	362.85	2.47	-68.10
CC(COCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCC1	REAL300029156723	0	55	0.0	-73.83	431.18	4.21	-69.62
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1CC[NH+](CC2CC2)CC1	REAL300029156801	0	55	0.0	-78.66	423.54	5.08	-73.58
C[NH+]1CCC(O)(CC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029156937	0	52	0.0	-76.47	402.55	1.67	-74.80
COCC[N@@H+]1CCCC1CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029156944	0	55	0.0	-76.28	421.39	2.75	-73.53
COCC[N@H+]1CCCC1CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029156944	1	55	0.0	-67.71	425.91	3.01	-64.70
C[NH+](C)CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029156952	0	41	0.0	-74.70	333.24	1.44	-73.26
O=C(C[NH+]1CCC(CO)CC1)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029156957	1	52	0.0	-75.69	406.03	0.63	-75.06
O=C(C[NH+]1CCCCCC1)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029156961	0	51	0.0	-72.84	383.35	3.49	-69.35
CN1C=C[N+](CC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029156966	0	43	0.0	-71.39	363.62	4.96	-66.43
C[N@@H+]1CCCC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029156975	0	48	0.0	-66.42	370.71	3.28	-63.14
C[N@H+]1CCCC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029156975	1	48	0.0	-76.00	377.82	3.04	-72.96
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@@H+]1C1CC1	REAL300029156980	0	49	0.0	-77.61	384.11	3.48	-74.13
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@H+]1C1CC1	REAL300029156980	1	49	0.0	-72.35	383.67	3.27	-69.08
CC(C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300029157012	1	45	0.0	-71.21	359.92	2.55	-68.66
CCC(CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029157021	0	53	0.0	-77.38	403.63	3.92	-73.46
C[NH+](C)CC(C)(C)C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157029	0	50	0.0	-74.68	383.04	3.23	-71.45
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C12CC(C1)C[N@@H+]2C1CC1	REAL300029157049	0	50	0.0	-52.85	378.79	5.21	-47.64
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C12CC(C1)C[N@H+]2C1CC1	REAL300029157049	1	50	0.0	-52.84	384.72	5.63	-47.21
O=C(C[NH+]1CCC(O)CC1)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157065	1	49	0.0	-79.28	385.43	-0.02	-79.30
C[N@H+](CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029157066	0	45	0.0	-70.87	361.44	2.84	-68.03
C[N@@H+](CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029157066	1	45	0.0	-71.79	361.59	2.85	-68.94
CC(C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300029157067	1	53	0.0	-74.66	405.36	1.35	-73.31
C[NH+]1CC(CC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029157091	0	45	0.0	-76.53	364.67	2.24	-74.29
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@@H+]1C1CCCC1	REAL300029157095	0	52	0.0	-75.08	404.57	4.40	-70.68
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@H+]1C1CCCC1	REAL300029157095	1	52	0.0	-73.06	398.84	3.93	-69.13
CC(C)(C)[N@@H+]1CCC1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157103	0	51	0.0	-71.27	394.90	3.12	-68.15
CC(C)(C)[N@H+]1CCC1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157103	1	51	0.0	-71.13	393.67	3.18	-67.95
C[C@@H](C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029157115	0	44	0.0	-73.02	350.22	1.89	-71.13
CCC1CCC[N@H+](CC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029157162	0	54	0.0	-74.45	406.35	4.53	-69.92
CCC1CCC[N@@H+](CC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029157162	1	54	0.0	-74.20	413.37	4.57	-69.63
C[NH+](C)CC1=CC=C(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)N1	REAL300029157170	0	49	0.0	-88.39	400.06	2.59	-85.80
C[NH+]1C2CCC1CC(CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300029157183	0	55	0.0	-78.32	399.01	3.83	-74.49
[NH2+]=C1SC=CN1CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157226	0	41	0.0	-69.61	359.47	1.65	-67.96
C[N@H+](CCO)CCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157238	0	48	0.0	-75.73	382.83	-0.56	-76.29
C[N@@H+](CCO)CCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157238	1	48	0.0	-75.74	382.66	-0.53	-76.27
C[C@@H](C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029157239	0	44	0.0	-73.02	350.22	1.89	-71.13
C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157243	0	48	0.0	-71.52	365.89	2.85	-68.67
C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157243	1	48	0.0	-69.93	374.15	3.04	-66.89
CC1CN2CC[N@@H+]1CC2C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157253	0	51	0.0	-81.03	384.65	0.32	-80.71
CC1CN2CC[N@H+]1CC2C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157253	1	51	0.0	-83.24	385.93	0.40	-82.84
COC1C[N@@H+]2CCCC2(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029157294	0	53	0.0	-77.05	410.41	2.43	-74.62
COC1C[N@H+]2CCCC2(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029157294	1	53	0.0	-76.48	408.26	2.27	-74.21
O=C(CC1=CC2=C[NH+]=CN2C=C1)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157308	0	46	0.0	-73.22	386.57	5.62	-67.60
C[N@H+](CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029157335	0	49	0.0	-77.49	393.11	3.66	-73.83
C[N@@H+](CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029157335	1	49	0.0	-80.71	392.59	3.65	-77.06
O=C(C[NH+]1CCC1)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157336	1	42	0.0	-74.29	342.68	1.91	-72.38
C[NH+](C)CC1=CC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)=CC=N1	REAL300029157371	1	50	0.0	-74.98	407.36	3.45	-71.53
C[N@@H+]1CCC(=CC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029157373	0	46	0.0	-78.57	370.24	3.04	-75.53
C[N@H+]1CCC(=CC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029157373	1	46	0.0	-78.34	371.23	2.98	-75.36
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1C[NH+](C2CCCCC2)C1	REAL300029157399	0	55	0.0	-77.95	424.42	4.79	-73.16
C[NH+](C)CCOCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157414	0	48	0.0	-74.01	388.22	2.51	-71.50
CCCCC[N@H+](C)CCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157420	0	56	0.0	-77.97	436.98	4.97	-73.00
CCCCC[N@@H+](C)CCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157420	1	56	0.0	-78.37	437.82	4.94	-73.43
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029157430	0	52	0.0	-75.86	411.83	3.37	-72.49
C=CCC(C)(C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029157439	0	51	0.0	-80.73	387.60	3.84	-76.89
C[S+](C)CCC(O)C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157444	0	47	0.0	-80.89	395.61	1.07	-79.82
C[N@@H+]1CC(O)CC1(C)C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157474	0	49	0.0	-80.66	380.02	-0.44	-81.10
CN1CC[N@H+](C)CC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029157488	0	53	0.0	-71.61	403.09	1.21	-70.40
CN1CC[N@@H+](C)CC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029157488	1	53	0.0	-71.61	403.09	1.21	-70.40
CC(C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300029157489	0	52	0.0	-74.01	403.09	0.37	-73.64
O=C(CN1CCC(CO)CC1)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157503	0	52	0.0	-75.69	406.03	0.63	-75.06
O=C(C[NH+]1CCC(CO)CC1)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157503	1	52	0.0	-75.69	406.03	0.63	-75.06
C[N@@H+]1CCCC(O)(CC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029157513	0	52	0.0	-75.12	391.02	1.67	-73.45
C[N@H+]1CCCC(O)(CC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029157513	1	52	0.0	-75.12	391.02	1.67	-73.45
CC1CN(CC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029157517	0	45	0.0	-74.40	362.38	2.59	-71.81
CC1C[NH+](CC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029157517	1	45	0.0	-74.40	362.38	2.59	-71.81
CN(CCO)CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157546	0	45	0.0	-75.44	361.31	-1.15	-76.59
C[N@H+](CCO)CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157546	1	45	0.0	-74.69	361.12	-1.14	-75.83
C[N@@H+](CCO)CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157546	1	45	0.0	-74.69	361.12	-1.14	-75.83
C[NH+]1C2CCC1CC(=CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300029157568	0	53	0.0	-74.49	406.67	4.36	-70.13
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1C[N@@H+]2CCN1CCC2	REAL300029157573	0	51	0.0	-83.96	379.22	1.23	-82.73
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1C[N@H+]2CCN1CCC2	REAL300029157573	1	51	0.0	-83.96	379.22	1.23	-82.73
CC[N@@H+]1CCCC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029157580	0	51	0.0	-67.37	388.38	3.95	-63.42
CC[N@H+]1CCCC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029157580	1	51	0.0	-67.37	388.38	3.95	-63.42
CC(CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029157582	0	50	0.0	-77.29	390.41	3.42	-73.87
CC[N@H+](C)CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157598	0	44	0.0	-74.05	350.96	2.09	-71.96
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C12CCC[N@@H+]1CCCC2	REAL300029157626	0	52	0.0	-52.45	375.55	5.22	-47.23
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C12CCC[N@H+]1CCCC2	REAL300029157626	1	52	0.0	-52.45	375.55	5.22	-47.23
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C12CCC[N@@H+]1CC=CC2	REAL300029157635	0	50	0.0	-52.66	371.33	4.88	-47.78
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C12CCC[N@H+]1CC=CC2	REAL300029157635	1	50	0.0	-52.66	371.33	4.88	-47.78
CC[N@H+](CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029157659	0	48	0.0	-71.00	378.59	3.44	-67.56
CC[NH+](CC)CCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157683	0	50	0.0	-76.14	385.31	3.10	-73.04
O=C(CCCC[NH+]1CCCCC1)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157719	0	57	0.0	-76.51	439.39	5.46	-71.05
CC1(O)CC[N@H+](CC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029157750	0	49	0.0	-72.51	388.23	-0.16	-72.67
C[NH+](C)CC=CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157760	0	45	0.0	-80.32	369.19	2.62	-77.70
CC(OCC[NH+](C)C)C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157784	0	51	0.0	-75.44	407.20	3.26	-72.18
C[NH+](C)CCOCCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157795	0	51	0.0	-76.43	410.05	2.21	-74.22
COCCN(C)CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157796	0	48	0.0	-74.38	383.37	1.26	-73.12
COCC[N@H+](C)CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157796	1	48	0.0	-75.71	383.56	1.25	-74.46
COCC[N@@H+](C)CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157796	1	48	0.0	-75.71	383.56	1.25	-74.46
C[NH+](C)C1(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029157848	0	51	0.0	-59.34	372.09	4.96	-54.38
CC(CCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029157851	0	50	0.0	-80.54	385.81	3.16	-77.38
CC[N@@H+]1CCC1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157861	1	45	0.0	-71.93	357.01	2.18	-69.75
CC[N@H+]1CCC1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157861	1	45	0.0	-73.72	364.86	2.44	-71.28
CC(C)[N@@H+]1CCCC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029157872	0	54	0.0	-72.42	411.29	4.25	-68.17
CC(C)[N@H+]1CCCC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029157872	1	54	0.0	-73.23	412.13	4.20	-69.03
O=C(C[N@H+]1CCCC1CO)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157886	0	49	0.0	-72.96	385.77	0.09	-72.87
O=C(C[N@@H+]1CCCC1CO)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157886	1	49	0.0	-73.10	381.76	-0.50	-73.60
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@@H+]2C1	REAL300029157912	0	52	0.0	-74.69	399.94	4.20	-70.49
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@H+]2C1	REAL300029157912	1	52	0.0	-73.59	400.04	4.15	-69.44
C[NH+]1CCC(C)(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029157919	0	51	0.0	-71.53	389.41	3.52	-68.01
C[NH+](C)CC1=CNC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029157925	0	49	0.0	-81.61	399.57	2.73	-78.88
CC(C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300029157943	1	52	0.0	-75.32	403.24	0.38	-74.94
C=CCC(C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029157956	0	48	0.0	-69.94	375.67	2.97	-66.97
C[N@@H+]1CC(C)(C)CC1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157974	0	51	0.0	-71.50	391.74	3.12	-68.38
C[N@H+]1CC(C)(C)CC1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157974	1	51	0.0	-74.02	393.72	3.02	-71.00
C[NH+](C)CCCCCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157978	0	53	0.0	-77.61	420.09	4.35	-73.26
O=C(C[NH+]1CC2CC2C1)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157988	0	46	0.0	-74.18	367.20	3.27	-70.91
CC1C[N@@H+]2CCN1C(C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300029158022	0	51	0.0	-84.79	385.09	0.49	-84.30
CC1C[N@H+]2CCN1C(C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300029158022	1	51	0.0	-81.20	386.25	0.47	-80.73
CCCC(C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029158023	0	50	0.0	-72.65	386.83	3.40	-69.25
C[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029158028	0	47	0.0	-54.63	349.07	3.29	-51.34
C[N@@H+]1CCCCC1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029158075	0	48	0.0	-71.43	375.14	3.03	-68.40
C[N@H+]1CCCCC1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029158075	1	48	0.0	-69.75	375.08	3.03	-66.72
C[N@H+]1CC=C(CC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029158123	0	49	0.0	-73.40	392.36	3.75	-69.65
C[N@@H+]1CC=C(CC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029158123	1	49	0.0	-71.09	392.36	3.75	-67.34
O=C(CC1([NH+]2CCCC2)CC1)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029158132	0	52	0.0	-71.94	397.20	4.18	-67.76
C[N@@H+]1CCCC(C(C)(C)C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029158184	0	57	0.0	-77.45	423.23	4.57	-72.88
C[N@H+]1CCCC(C(C)(C)C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029158184	1	57	0.0	-77.45	423.23	4.57	-72.88
CN(C)CC1=CC=C(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029158189	0	48	0.0	-82.48	395.87	3.16	-79.32
C[NH+](C)CC1=CC=C(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029158189	1	48	0.0	-82.48	395.87	3.16	-79.32
O=C(C=CC[NH+]1CCCC1)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029158210	0	49	0.0	-78.56	393.96	3.85	-74.71
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1CC[NH+](C2CC2)CC1	REAL300029158235	0	52	0.0	-77.67	407.10	4.47	-73.20
O=C(CC[NH+]1CCCC1)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029158259	0	48	0.0	-75.76	380.71	3.17	-72.59
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCN1CC2	REAL300029158303	0	48	0.0	-84.08	369.76	-0.17	-84.25
C[N@@H+]1CC2CC1(C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300029158313	0	46	0.0	-55.59	351.53	3.84	-51.75
O=C(C[N@@H+]1CC2CCC1C2)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029158327	0	49	0.0	-72.17	378.92	3.57	-68.60
O=C(C[N@H+]1CC2CCC1C2)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029158327	1	49	0.0	-72.17	378.92	3.57	-68.60
CC(C)[NH+]1CCC(CC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029158338	0	57	0.0	-72.03	430.74	4.97	-67.06
O=C(C=C1C[NH+]2CCC1CC2)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029158386	0	50	0.0	-69.18	388.33	3.82	-65.36
O=C(CN1CC2C=CC1C2)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029158397	0	47	0.0	-72.28	372.32	3.48	-68.80
O=C(C[N@@H+]1CC2C=CC1C2)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029158397	1	47	0.0	-72.18	371.46	3.41	-68.77
O=C(C[N@H+]1CC2C=CC1C2)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029158397	1	47	0.0	-72.18	371.46	3.41	-68.77
CC(C[NH+](C)C)C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029158459	0	47	0.0	-76.18	371.64	2.70	-73.48
C[N@@H+]1CCCCC1CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029158551	0	51	0.0	-65.56	383.94	3.50	-62.06
C[N@H+]1CCCCC1CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029158551	1	51	0.0	-65.56	383.94	3.50	-62.06
CC1=C2C=C(C(=O)NC[C@@H]3C[C@H](F)CN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=N1	REAL300029158572	0	46	0.0	-80.29	384.50	5.52	-74.77
CC1=C2C=C(C(=O)NC[C@@H]3C[C@H](F)CN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029158572	1	46	0.0	-80.29	384.50	5.52	-74.77
CC(C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)N1CC(C)C1	REAL300029158573	0	48	0.0	-71.20	381.53	3.16	-68.04
CC(C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300029158573	1	48	0.0	-71.20	381.53	3.16	-68.04
CC1CCN1CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029158577	0	45	0.0	-72.81	364.75	2.51	-70.30
CC1CC[N@@H+]1CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029158577	1	45	0.0	-72.12	359.04	2.25	-69.87
CC1CC[N@H+]1CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029158577	1	45	0.0	-72.12	359.04	2.25	-69.87
C[NH+](C)CC(O)CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029158582	0	48	0.0	-80.62	384.99	0.50	-80.12
CC1CN(C)CC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029158615	0	49	0.0	-76.03	383.66	2.47	-73.56
CC1C[N@H+](C)CC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029158615	1	49	0.0	-81.42	383.64	2.44	-78.98
CC1C[N@@H+](C)CC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029158615	1	49	0.0	-81.42	383.64	2.44	-78.98
O=C(CC[NH+]1CCC(O)CC1)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029158626	0	52	0.0	-79.58	406.78	0.50	-79.08
CCC[N@@H+]1CCCCC1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029158629	0	54	0.0	-71.84	405.13	4.27	-67.57
CCC[N@H+]1CCCCC1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029158629	1	54	0.0	-71.84	405.13	4.27	-67.57
CC[NH+]1CCN(CCC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029158634	0	56	0.0	-77.14	430.49	2.07	-75.07
CCN1CC[NH+](CCC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029158634	1	56	0.0	-77.14	430.49	2.07	-75.07
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300029158637	0	55	0.0	-65.75	407.11	4.93	-60.82
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300029158637	1	55	0.0	-65.75	407.11	4.93	-60.82
CC(C)C[NH+]1CCC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029158680	0	57	0.0	-80.82	433.45	5.24	-75.58
C[NH+](C)C1CCN(CC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029158705	0	56	0.0	-74.94	425.71	2.15	-72.79
C[NH+](C)[C@H]1C[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029158725	0	48	0.0	-75.18	382.76	3.15	-72.03
CC(CC[NH+](C)C)C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029158733	0	50	0.0	-76.34	393.28	3.32	-73.02
C[N@H+](CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029158762	0	52	0.0	-71.53	402.84	0.80	-70.73
C#CCN1CCCCC1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029158771	0	50	0.0	-70.17	400.25	4.23	-65.94
C#CC[N@H+]1CCCCC1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029158771	1	50	0.0	-71.53	400.39	4.18	-67.35
C#CC[N@@H+]1CCCCC1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029158771	1	50	0.0	-71.53	400.39	4.18	-67.35
CN1CCN(CC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029158776	0	50	0.0	-75.34	391.20	0.95	-74.39
C[NH+]1CCN(CC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029158776	1	50	0.0	-75.34	391.20	0.95	-74.39
NC(=[NH2+])SCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029158817	0	39	0.0	-77.00	340.91	-1.68	-78.68
CC[N@@H+]1CCOCC1CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029158863	0	52	0.0	-79.36	400.19	1.94	-77.42
C[NH+](C)CCC1(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029158882	0	57	0.0	-58.18	412.17	6.17	-52.01
CC1CCCC(C)[NH+]1CCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029158884	0	57	0.0	-73.34	422.36	4.52	-68.82
C[NH+](C)C1CCC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029158887	0	54	0.0	-68.26	405.51	4.09	-64.17
C[NH+](C)CCC1(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029158888	0	51	0.0	-61.81	390.56	5.59	-56.22
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029158890	0	54	0.0	-67.76	404.68	4.13	-63.63
C[N@@H+]1CC=CCC1CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029158891	0	49	0.0	-79.44	384.58	3.49	-75.95
C[N@H+]1CC=CCC1CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029158891	1	49	0.0	-79.44	384.58	3.49	-75.95
C[C@@H](OCC[NH+](C)C)C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029158918	0	51	0.0	-71.85	408.90	3.17	-68.68
C[NH+]1C2CCC1CC(C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300029158952	0	52	0.0	-75.98	376.16	3.96	-72.02
CC(C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300029159090	1	49	0.0	-74.40	391.89	3.44	-70.96
CCC1C[NH+](CC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029159092	1	48	0.0	-75.16	384.80	3.26	-71.90
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1C[NH+](C2CCOCC2)C1	REAL300029159094	0	53	0.0	-79.97	415.34	2.39	-77.58
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1([NH+]2CCCC2)CCC1	REAL300029159096	0	52	0.0	-52.89	380.99	5.18	-47.71
C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029159106	1	45	0.0	-74.60	353.29	1.96	-72.64
O=C(CC[N@@H+]1CCC(F)C1)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029159115	1	48	0.0	-80.72	387.26	3.18	-77.54
COC1C[N@@H+](C)C(C)(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029159123	1	52	0.0	-57.25	390.34	3.38	-53.87
O=C(CC[NH+]1CCCCCC1)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029159136	0	54	0.0	-78.31	407.25	4.05	-74.26
O=C(C[NH+]1CCCCC1)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029159138	0	48	0.0	-73.83	374.08	3.35	-70.48
CC1C(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029159148	0	48	0.0	-73.33	379.21	2.97	-70.36
CC1C(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029159148	1	48	0.0	-74.40	378.35	3.04	-71.36
C[N@@H+]1CCCCC1CCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029159150	0	54	0.0	-73.95	413.36	4.36	-69.59
C[N@H+]1CCCCC1CCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029159150	1	54	0.0	-73.81	412.80	4.36	-69.45
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@@H+]2CCOCC12	REAL300029159184	0	50	0.0	-70.97	388.10	1.72	-69.25
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@H+]2CCOCC12	REAL300029159184	1	50	0.0	-80.39	392.18	1.73	-78.66
CC1=[NH+]C=C2C=CC(C(=O)NC[C@@H]3C[C@H](F)CN3C(=O)C3=CC(=O)[N-]O3)=CN21	REAL300029159189	0	46	0.0	-72.87	384.81	4.70	-68.17
CN1CCOCC1CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029159208	0	49	0.0	-82.43	382.40	1.29	-81.14
C[N@@H+]1CCOCC1CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029159208	1	49	0.0	-70.85	376.65	1.13	-69.72
C[N@H+]1CCOCC1CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029159208	1	49	0.0	-82.43	382.40	1.29	-81.14
CC1=C(C)[NH+]=C(CCC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)N1	REAL300029159217	1	49	0.0	-70.65	403.47	2.71	-67.94
CC(C)C[N@@H+]1CCCC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029159231	0	57	0.0	-73.50	433.60	5.19	-68.31
CC(C)C[N@H+]1CCCC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029159231	1	57	0.0	-73.59	433.58	5.17	-68.42
C[N@H+]1CCCC1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029159399	1	45	0.0	-72.63	354.64	2.02	-70.61
CC1=[NH+]C=CN1CCCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029159587	1	49	0.0	-69.52	406.81	4.45	-65.07
O=C(CCCC[NH+]1CCOCC1)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029159591	1	55	0.0	-76.62	434.14	3.14	-73.48
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300029159595	0	51	0.0	-78.69	404.81	5.48	-73.21
O=C(CC[NH+]1CCOCC1)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029159596	1	49	0.0	-76.86	391.12	1.54	-75.32
CCC[NH+](CCC)CCCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029159613	0	59	0.0	-73.99	457.94	5.79	-68.20
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC(=O)[N-]O1	REAL300029159638	1	43	0.0	-75.31	356.98	5.54	-69.77
C[NH+](C)C1CCCC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029159699	0	54	0.0	-55.37	398.80	4.77	-50.60
C[N@@H+]1CCC(CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029159702	0	48	0.0	-74.07	382.98	3.13	-70.94
C[N@H+]1CCC(CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029159702	1	48	0.0	-74.31	381.98	3.14	-71.17
CCC(C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029159717	0	47	0.0	-70.31	365.69	2.59	-67.72
CC1CC2CCC(C(=O)N3C[C@@H](F)C[C@H]3CNC(=O)C3=CC(=O)[N-]O3)C[N@@H+]2C1	REAL300029159763	0	55	0.0	-65.05	416.97	5.55	-59.50
CC1CC2CCC(C(=O)N3C[C@@H](F)C[C@H]3CNC(=O)C3=CC(=O)[N-]O3)C[N@H+]2C1	REAL300029159763	1	55	0.0	-71.05	418.71	4.58	-66.47
C[NH+](C)CCCCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029159786	0	50	0.0	-74.89	401.23	3.69	-71.20
CCC[N@H+](C)CCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029159806	0	50	0.0	-74.78	397.46	3.52	-71.26
CCC[N@@H+](C)CCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029159806	1	50	0.0	-74.71	397.48	3.50	-71.21
CCC[N@H+](C)CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029159810	0	47	0.0	-72.95	374.59	2.96	-69.99
CCC[N@@H+](C)CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029159810	1	47	0.0	-72.21	375.10	2.94	-69.27
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C12CC[N@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300029159831	0	49	0.0	-79.27	362.87	3.24	-76.03
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C12CC[N@@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300029159831	1	49	0.0	-74.69	368.15	2.35	-72.34
CCCCCC[N@H+](C)CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029159865	0	56	0.0	-74.27	439.09	5.30	-68.97
CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029159865	1	56	0.0	-73.52	439.60	5.27	-68.25
CC1CC[NH+](CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029159907	0	51	0.0	-73.66	397.96	4.01	-69.65
C[NH+]1CCC(OCC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029159933	0	52	0.0	-78.77	415.79	3.62	-75.15
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1CC2CCCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300029159986	0	52	0.0	-71.98	401.58	4.17	-67.81
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1CC2CCCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300029159986	1	52	0.0	-68.84	401.76	4.20	-64.64
C[NH+](C)CC1(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029159997	0	48	0.0	-74.54	378.91	4.00	-70.54
CC1=[NH+]C=C2CCC(C(=O)N3C[C@@H](F)C[C@H]3CNC(=O)C3=CC(=O)[N-]O3)CN21	REAL300029159998	1	50	0.0	-62.63	396.84	4.95	-57.68
CC(C)[NH+]1CCC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029160008	0	54	0.0	-73.90	410.95	4.12	-69.78
CC[N@H+](C)CCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029160034	0	47	0.0	-74.01	375.97	2.78	-71.23
CC[N@@H+](C)CCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029160034	1	47	0.0	-73.91	375.96	2.77	-71.14
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1C[NH+]2CCC1CC2)C1=CC(=O)[N-]O1	REAL300029160074	0	49	0.0	-77.44	373.08	3.07	-74.37
C[NH+]1CCC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029160146	0	48	0.0	-77.23	375.45	2.91	-74.32
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1CC[NH+](CC2CC2)CC1)C1=CC(=O)[N-]O1	REAL300029160218	0	55	0.0	-77.52	424.61	5.13	-72.39
CC[NH+](CC)CC(F)C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029160256	0	50	0.0	-75.74	397.42	3.50	-72.24
CC(C)C[N@@H+]1CCC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029160285	0	54	0.0	-71.26	418.51	4.45	-66.81
CC(C)C[N@H+]1CCC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029160285	1	54	0.0	-72.72	415.47	4.33	-68.39
CCC(C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300029160313	0	53	0.0	-59.63	391.89	4.55	-55.08
CC1CCC[N@@H+]1CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029160331	0	48	0.0	-68.62	374.50	2.89	-65.73
CC1CCC[N@H+]1CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029160331	1	48	0.0	-69.20	374.20	2.93	-66.27
CC(C)C1=[NH+]C=CN1CCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029160401	1	52	0.0	-67.31	425.53	4.83	-62.48
CC(C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300029160405	0	54	0.0	-68.16	403.50	4.00	-64.16
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029160429	0	51	0.0	-68.39	391.16	3.42	-64.97
CC(C)[N@H+]1CCCC1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029160429	1	51	0.0	-70.73	386.41	3.86	-66.87
CC(C)[N@@H+]1CCCC1CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029160437	0	54	0.0	-66.98	410.80	5.09	-61.89
CC(C)[N@H+]1CCCC1CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029160437	1	54	0.0	-66.59	409.27	4.93	-61.66
CC1CC[N@H+](CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029160473	0	48	0.0	-71.25	382.09	3.19	-68.06
CC1CC[N@@H+](CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029160473	1	48	0.0	-71.32	382.01	3.28	-68.04
CC1=[NH+]C=C2CC(C(=O)N3C[C@@H](F)C[C@H]3CNC(=O)C3=CC(=O)[N-]O3)CCN21	REAL300029160474	1	50	0.0	-70.38	401.03	4.05	-66.33
CC1(C)CC[N@H+](CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029160477	0	51	0.0	-71.70	401.28	3.75	-67.95
CC1(C)CC[N@@H+](CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029160477	1	51	0.0	-72.14	400.56	3.80	-68.34
C[N@H+](CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029160478	0	53	0.0	-72.99	402.49	3.95	-69.04
C[N@@H+](CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029160478	1	53	0.0	-72.89	405.84	4.13	-68.76
CC[C@@H](C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029160487	0	47	0.0	-69.68	362.09	2.37	-67.31
CC(COCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCC1	REAL300029160494	0	55	0.0	-70.05	434.15	4.31	-65.74
CN(CCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1=CC=[NH+]C=C1	REAL300029160625	0	50	0.0	-71.27	410.32	3.18	-68.09
CC1=[NH+]C=CN1CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029160721	1	43	0.0	-68.19	364.82	3.14	-65.05
CC(C[NH+]1CCOCC1)C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029160723	1	52	0.0	-74.64	403.39	1.99	-72.65
O=C(CCC[NH+]1CCCCC1)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029160740	0	54	0.0	-73.20	421.36	4.76	-68.44
C[NH+](C)CC1=CC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=NO1	REAL300029160754	1	47	0.0	-78.46	391.31	2.69	-75.77
CC1=C(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300029160755	0	46	0.0	-75.02	382.53	5.85	-69.17
CC(C)C1=[NH+]C=CN1CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029160792	1	49	0.0	-67.48	401.33	4.28	-63.20
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1CCCC2CCC[N@@H+]21)C1=CC(=O)[N-]O1	REAL300029160834	0	52	0.0	-60.06	394.42	5.09	-54.97
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1CCCC2CCC[N@H+]21)C1=CC(=O)[N-]O1	REAL300029160834	1	52	0.0	-67.79	387.20	4.84	-62.95
CC[N@@H+]1CCOC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029160861	1	49	0.0	-75.60	374.68	3.03	-72.57
CC[N@H+]1CCOC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029160861	1	49	0.0	-71.35	379.78	2.24	-69.11
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC(=O)[N-]O1	REAL300029160911	0	43	0.0	-67.23	355.75	5.35	-61.88
CC1=C[NH+]=CN1CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029160916	1	43	0.0	-72.24	365.34	3.89	-68.35
C[NH+](C)CCN1C=C(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C=N1	REAL300029160919	0	51	0.0	-73.04	410.11	3.42	-69.62
C[NH+](C)CCN1C=CC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300029160927	0	51	0.0	-85.57	416.87	3.29	-82.28
C[C@@H]1[C@H](C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029160933	0	48	0.0	-76.00	372.12	2.93	-73.07
C[C@@H]1[C@H](C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029160933	1	48	0.0	-76.77	377.71	2.77	-74.00
CCC1=[NH+]C=CN1C(C)CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029160935	1	52	0.0	-68.00	421.51	4.81	-63.19
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029160938	0	51	0.0	-70.93	385.89	3.97	-66.96
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029160938	1	51	0.0	-68.70	388.40	4.41	-64.29
CC1CCC(C)[NH+]1CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029160952	0	51	0.0	-69.64	392.25	3.54	-66.10
O=C(CCC[NH+]1CCCC1)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029160958	0	51	0.0	-72.93	405.69	4.06	-68.87
C[NH+](C)CC1=CC=CC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029160959	0	51	0.0	-72.10	404.63	5.45	-66.65
C#CC[NH+]1CCC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029160965	0	50	0.0	-77.65	401.77	4.14	-73.51
O=C(CC[NH+]1CCCCC1)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029160966	0	51	0.0	-74.03	399.58	4.00	-70.03
O=C(CN1C=[NH+]C2=C1CCCC2)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029160979	1	50	0.0	-71.54	407.48	5.60	-65.94
C[NH+](C)CC1(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL300029161010	0	57	0.0	-71.83	401.58	5.35	-66.48
C[N@H+](CCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300029161014	0	57	0.0	-75.25	434.30	5.17	-70.08
C[N@@H+](CCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300029161014	1	57	0.0	-74.88	434.28	5.14	-69.74
C[NH+](C)C1(CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029161015	0	54	0.0	-76.43	399.93	4.00	-72.43
C[N@H+](CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029161186	0	48	0.0	-70.34	381.45	3.53	-66.81
C[N@@H+](CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029161186	1	48	0.0	-71.00	381.60	3.53	-67.47
CC(C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300029161209	0	54	0.0	-66.22	396.68	4.77	-61.45
O=C(CCCC[NH+]1CCCC1)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029161225	0	54	0.0	-73.53	426.15	4.78	-68.75
C[N@H+](CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029161227	1	51	0.0	-76.98	412.48	5.10	-71.88
C[N@@H+](CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029161227	1	51	0.0	-77.16	412.55	5.10	-72.06
C[NH+]1CCC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029161241	0	48	0.0	-77.23	375.45	2.91	-74.32
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029161284	0	45	0.0	-70.18	354.00	2.02	-68.16
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029161284	1	45	0.0	-67.59	356.81	2.27	-65.32
C[N@@H+]1CCCC1CCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029161312	0	51	0.0	-77.65	402.79	4.08	-73.57
C[N@H+]1CCCC1CCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029161312	1	51	0.0	-72.46	397.06	3.61	-68.85
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1CCC2CCCC[N@@H+]21)C1=CC(=O)[N-]O1	REAL300029161326	0	52	0.0	-67.08	399.79	4.36	-62.72
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1CCC2CCCC[N@H+]21)C1=CC(=O)[N-]O1	REAL300029161326	1	52	0.0	-67.29	402.20	4.35	-62.94
CCC[N@@H+]1CCCC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029161396	0	54	0.0	-59.49	404.45	5.32	-54.17
CCC[N@H+]1CCCC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029161396	1	54	0.0	-56.60	405.83	5.43	-51.17
CC(C)[N@@H+]1CCOC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029161411	1	52	0.0	-79.77	402.44	2.88	-76.89
CC(C)[N@H+]1CCOC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029161411	1	52	0.0	-69.60	396.53	2.73	-66.87
O=C(C[NH+]1CCC(CO)CC1)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029161478	1	52	0.0	-75.31	409.25	0.68	-74.63
C[NH+]1C2CCC1CC(=CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029161514	0	53	0.0	-71.35	407.91	4.48	-66.87
CC1C(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029161529	0	48	0.0	-72.66	376.20	2.92	-69.74
CC1C(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029161529	1	48	0.0	-70.96	374.23	2.63	-68.33
C[N@@H+]1CCCCC1CCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029161531	0	54	0.0	-75.28	409.80	4.27	-71.01
C[N@H+]1CCCCC1CCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029161531	1	54	0.0	-77.48	409.85	4.28	-73.20
NC1=[NH+]C2=C(C=C1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029161560	1	48	0.0	-60.90	383.88	3.11	-57.79
CC(C)(C)[N@@H+]1CCC1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029161621	0	51	0.0	-67.96	378.51	2.99	-64.97
CC(C)(C)[N@H+]1CCC1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029161621	1	51	0.0	-68.62	372.30	3.00	-65.62
C[C@@H](C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029161642	0	44	0.0	-70.49	349.73	1.81	-68.68
C[NH+](C)CC1=CC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=CC=N1	REAL300029161660	1	50	0.0	-65.03	400.53	4.05	-60.98
C=CCC(C)(C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029161665	0	51	0.0	-71.51	374.09	4.18	-67.33
NC1=C(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C=[NH+]C2=CC=CC=C21	REAL300029161693	1	47	0.0	-64.13	381.36	2.52	-61.61
O=C(CC[NH+]1CCCC1)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029161697	0	48	0.0	-73.50	384.21	3.28	-70.22
C[N@H+](CCO)CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029161706	1	45	0.0	-74.06	363.43	-1.02	-75.08
C[N@@H+](CCO)CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029161706	1	45	0.0	-73.06	363.26	-1.04	-74.10
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1C[N@@H+]2CCN1CCC2)C1=CC(=O)[N-]O1	REAL300029161744	0	51	0.0	-84.75	377.89	1.07	-83.68
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1C[N@H+]2CCN1CCC2)C1=CC(=O)[N-]O1	REAL300029161744	1	51	0.0	-81.73	382.85	1.18	-80.55
CC(C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300029161768	1	49	0.0	-71.98	380.75	3.95	-68.03
C[N@H+]1CC=C(CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029161804	0	49	0.0	-70.79	394.47	3.92	-66.87
C[N@@H+]1CC=C(CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029161804	1	49	0.0	-68.21	394.99	3.86	-64.35
C[S+](C)CCC(O)C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029161817	0	47	0.0	-78.61	392.38	1.75	-76.86
CN1CC[N@H+](C)CC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029161851	0	53	0.0	-63.11	398.86	2.31	-60.80
CN1CC[N@@H+](C)CC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029161851	1	53	0.0	-63.22	404.38	1.90	-61.32
CC(C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300029161852	0	52	0.0	-69.80	403.44	0.41	-69.39
CC(C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[N@H+]1CCCC(O)C1	REAL300029161852	1	52	0.0	-72.14	401.92	0.58	-71.56
C[N@@H+]1CCCC(O)(CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029161889	0	52	0.0	-72.21	402.79	2.00	-70.21
C[N@H+]1CCCC(O)(CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029161889	1	52	0.0	-66.07	405.62	1.85	-64.22
CC1C[NH+](CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029161895	1	45	0.0	-73.14	366.66	2.64	-70.50
CC[N@@H+]1CCCC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029161900	0	51	0.0	-65.50	390.90	4.52	-60.98
CC[N@H+]1CCCC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029161900	1	51	0.0	-71.53	394.27	3.55	-67.98
NC1=[NH+]C=CC=C1CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029161909	0	44	0.0	-67.15	369.82	1.37	-65.78
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1CCC[N@@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300029161921	0	49	0.0	-67.56	389.26	3.93	-63.63
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1CCC[N@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300029161921	1	49	0.0	-70.77	386.35	3.45	-67.32
O=C(C=CC[NH+]1CCCC1)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029161967	0	49	0.0	-76.02	397.49	3.93	-72.09
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1CC[NH+](C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300029161990	0	52	0.0	-73.61	405.97	4.36	-69.25
CC[N@H+](C)CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029162032	0	44	0.0	-71.92	353.57	2.16	-69.76
O=C(CN1CC2C=CC1C2)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029162089	0	47	0.0	-68.42	374.64	3.45	-64.97
O=C(C[N@@H+]1CC2C=CC1C2)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029162089	1	47	0.0	-70.58	375.14	3.48	-67.10
O=C(C[N@H+]1CC2C=CC1C2)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029162089	1	47	0.0	-70.58	375.14	3.48	-67.10
CC1=CC=C(NCCC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)N=C1	REAL300029162111	0	50	0.0	-69.30	414.24	2.96	-66.34
CC1=CC=C(NCCC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)[NH+]=C1	REAL300029162111	1	50	0.0	-69.30	414.24	2.96	-66.34
CC(OCC[NH+](C)C)C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029162236	0	51	0.0	-72.21	406.95	3.03	-69.18
C[NH+](C)CCOCCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029162248	0	51	0.0	-73.26	412.49	2.33	-70.93
COCCN(C)CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029162250	0	48	0.0	-72.75	385.68	1.39	-71.36
COCC[N@H+](C)CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029162250	1	48	0.0	-74.40	385.68	1.39	-73.01
COCC[N@@H+](C)CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029162250	1	48	0.0	-74.40	385.68	1.39	-73.01
CC(CCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029162257	0	50	0.0	-72.81	392.75	3.29	-69.52
CC[N@H+](CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029162289	0	48	0.0	-69.46	384.44	3.62	-65.84
CC1C[N@@H+]2CCN1C(C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029162300	0	51	0.0	-71.97	372.09	1.45	-70.52
CC1=NC(N)=CC=C1C=CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029162335	0	48	0.0	-71.97	400.18	2.20	-69.77
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029162335	1	48	0.0	-71.97	400.18	2.20	-69.77
O=C(C[N@@H+]1CC2CCC1C2)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029162342	0	49	0.0	-71.20	382.09	3.65	-67.55
CC(C)[NH+]1CCC(CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029162355	0	57	0.0	-70.68	429.42	4.91	-65.77
CC(C[NH+](C)C)C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029162367	0	47	0.0	-73.96	370.02	2.56	-71.40
CCN1CCC1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029162413	0	45	0.0	-71.75	367.14	2.43	-69.32
CC[N@@H+]1CCC1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029162413	1	45	0.0	-70.61	357.65	2.21	-68.40
CC[N@H+]1CCC1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029162413	1	45	0.0	-70.61	357.65	2.21	-68.40
CC(C)[N@@H+]1CCCC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029162424	0	54	0.0	-70.38	410.92	4.08	-66.30
CC(C)[N@H+]1CCCC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029162424	1	54	0.0	-70.38	410.92	4.08	-66.30
CCC(C)(C)[NH2+]C(C)C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029162438	0	53	0.0	-67.82	397.37	1.83	-65.99
CNC1=NC(C)=CC=C1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029162488	0	47	0.0	-62.66	379.74	2.99	-59.67
CNC1=[NH+]C(C)=CC=C1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029162488	1	47	0.0	-62.66	379.74	2.99	-59.67
CCCC(C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029162501	0	50	0.0	-71.12	385.91	3.25	-67.87
CC(CC[NH+](C)C)C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029162529	0	50	0.0	-73.65	392.11	3.16	-70.49
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1=CC(=O)[N-]O1	REAL300029162576	0	55	0.0	-63.60	406.83	4.73	-58.87
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1=CC(=O)[N-]O1	REAL300029162576	1	55	0.0	-63.60	406.83	4.73	-58.87
C[N@@H+]1CC(C)(C)CC1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029162654	0	51	0.0	-68.59	397.41	3.62	-64.97
C[NH+](C)CCCCCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029162659	0	53	0.0	-73.92	422.73	4.47	-69.45
O=C(CC[NH+]1CCC(O)CC1)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029162664	0	52	0.0	-77.98	410.19	0.64	-77.34
CCC[N@@H+]1CCCCC1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029162669	0	54	0.0	-70.58	403.27	4.01	-66.57
CCC[N@H+]1CCCCC1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029162669	1	54	0.0	-70.58	403.27	4.01	-66.57
CC[NH+]1CCN(CCC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029162677	0	56	0.0	-75.54	432.99	2.13	-73.41
CCN1CC[NH+](CCC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029162677	1	56	0.0	-75.54	432.99	2.13	-73.41
CN1CCN(CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029162680	0	50	0.0	-72.91	394.61	1.05	-71.86
C[NH+]1CCN(CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029162680	1	50	0.0	-72.91	394.61	1.05	-71.86
CC(C)C[NH+]1CCC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029162795	0	57	0.0	-76.17	432.76	5.04	-71.13
CC1CN(C)CC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300029162798	0	49	0.0	-84.17	378.75	3.29	-80.88
CC1C[N@H+](C)CC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300029162798	1	49	0.0	-81.84	383.41	2.49	-79.35
CC1C[N@@H+](C)CC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300029162798	1	49	0.0	-81.84	383.41	2.49	-79.35
CCC1CCC[N@H+](CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029162829	0	54	0.0	-72.89	409.82	4.58	-68.31
CCC1CCC[N@@H+](CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029162829	1	54	0.0	-72.89	409.82	4.58	-68.31
O=C(C[NH+]1CC2CC2C1)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029162858	0	46	0.0	-73.31	370.39	3.37	-69.94
O=C(CC1([NH+]2CCCC2)CC1)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029162874	0	52	0.0	-70.40	401.44	4.32	-66.08
CC([NH2+]C1(CO)CCCC1)C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029162889	0	55	0.0	-71.55	413.39	-0.70	-72.25
C[N@@H+]1CCCCC1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029162916	0	48	0.0	-66.38	363.37	3.66	-62.72
C[N@H+]1CCCCC1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029162916	1	48	0.0	-71.39	364.02	2.62	-68.77
CC(C)C[N@@H+]1CCCC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029162927	0	57	0.0	-62.08	422.64	5.96	-56.12
CC(C)C[N@H+]1CCCC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029162927	1	57	0.0	-71.53	432.88	4.99	-66.54
C[NH+](C)C1CCN(CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029162978	0	56	0.0	-72.29	428.67	2.26	-70.03
C[N@@H+]1CCC(=CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029163037	0	46	0.0	-76.24	372.11	3.10	-73.14
C[N@H+]1CCC(=CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029163037	1	46	0.0	-75.33	374.08	3.05	-72.28
O=C(CNC1=CC=[NH+]C=C1)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029163043	0	44	0.0	-72.58	371.56	0.78	-71.80
CC[NH+]1CCN(CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029163103	0	53	0.0	-71.54	412.10	1.65	-69.89
O=C(C=C1C[NH+]2CCC1CC2)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029163104	0	50	0.0	-66.82	391.56	3.92	-62.90
C[N@H+](CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029163157	0	52	0.0	-66.82	406.35	0.92	-65.90
C[N@@H+](CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029163157	1	52	0.0	-69.80	407.12	0.80	-69.00
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1C[NH+](C2CCOCC2)C1)C1=CC(=O)[N-]O1	REAL300029163164	0	53	0.0	-78.41	418.09	2.50	-75.91
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029163177	0	45	0.0	-68.55	359.48	2.33	-66.22
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029163177	1	45	0.0	-72.80	353.59	2.04	-70.76
CCN1CCOCC1CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029163214	0	52	0.0	-75.24	399.95	1.91	-73.33
CC[N@@H+]1CCOCC1CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029163214	1	52	0.0	-77.21	404.36	2.05	-75.16
CC[N@H+]1CCOCC1CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029163214	1	52	0.0	-77.21	404.36	2.05	-75.16
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1C[NH+](C2CCCCC2)C1)C1=CC(=O)[N-]O1	REAL300029163240	0	55	0.0	-76.35	428.20	4.85	-71.50
NC1=NC2=CC(C(=O)N3C[C@@H](F)C[C@H]3CNC(=O)C3=CC(=O)[N-]O3)=CC=C2N1	REAL300029163306	0	45	0.0	-69.64	370.84	3.27	-66.37
NC1=[NH+]C2=CC(C(=O)N3C[C@@H](F)C[C@H]3CNC(=O)C3=CC(=O)[N-]O3)=CC=C2N1	REAL300029163306	1	45	0.0	-69.64	370.84	3.27	-66.37
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029163346	0	48	0.0	-72.42	384.91	3.28	-69.14
CC1CCCC(C)[NH+]1CCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029163358	0	57	0.0	-69.41	429.28	4.64	-64.77
C[NH+](C)C1CCC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029163361	0	54	0.0	-64.96	400.08	4.87	-60.09
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029163363	0	54	0.0	-64.80	400.08	4.85	-59.95
C[N@@H+]1CC=CCC1CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029163364	0	49	0.0	-66.72	382.04	3.56	-63.16
C[N@H+]1CC=CCC1CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029163364	1	49	0.0	-77.55	386.64	3.66	-73.89
CC1=CC(C=CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=C[NH+]=C1N	REAL300029163419	1	48	0.0	-76.42	399.34	2.51	-73.91
C[NH+](C)CCOCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029163432	0	48	0.0	-70.93	391.71	2.58	-68.35
CCCCC[N@H+](C)CCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029163438	0	56	0.0	-75.77	440.46	5.08	-70.69
CCCCC[N@@H+](C)CCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029163438	1	56	0.0	-75.67	440.46	5.07	-70.60
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300029163449	0	52	0.0	-72.69	410.72	3.33	-69.36
[NH2+]=C1SC=CN1CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029163472	0	41	0.0	-66.80	362.89	1.70	-65.10
C[C@@H](OCC[NH+](C)C)C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029163544	0	51	0.0	-58.69	402.84	3.87	-54.82
O=C(CC[NH+]1CCCCCC1)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029163597	0	54	0.0	-74.04	410.32	4.52	-69.52
O=C(C[NH+]1CCCCC1)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029163601	0	48	0.0	-72.74	377.10	3.40	-69.34
C[N@@H+]1CCCC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029163603	0	48	0.0	-64.64	370.44	3.09	-61.55
C[N@H+]1CCCC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029163603	1	48	0.0	-58.03	366.40	4.04	-53.99
O=C(C[NH+]1CCC(CO)CC1)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029163604	1	52	0.0	-75.31	409.25	0.68	-74.63
O=C(C[NH+]1CCCCCC1)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029163610	0	51	0.0	-72.01	386.97	3.58	-68.43
CN1C=C[N+](CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029163617	0	43	0.0	-68.55	367.09	5.03	-63.52
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300029163634	1	48	0.0	-79.17	396.88	3.28	-75.89
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C=N1	REAL300029163641	0	50	0.0	-74.78	400.53	3.94	-70.84
O=C(C[NH+]1CCC(O)CC1)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029163653	1	49	0.0	-78.31	388.46	0.06	-78.25
C[N@H+](CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029163659	0	45	0.0	-69.44	365.30	2.94	-66.50
C[N@@H+](CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029163659	1	45	0.0	-70.51	364.76	2.96	-67.55
CC(C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300029163661	1	53	0.0	-62.37	399.01	2.00	-60.37
O=C(CC[N@H+]1CCC(F)C1)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029163665	0	48	0.0	-78.48	390.03	3.34	-75.14
O=C(CC[N@@H+]1CCC(F)C1)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029163665	1	48	0.0	-78.11	389.89	3.29	-74.82
CC(CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029163695	0	50	0.0	-73.78	392.96	3.55	-70.23
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1CC[N@@H+]2CCOCC12)C1=CC(=O)[N-]O1	REAL300029163715	0	50	0.0	-60.61	383.56	2.66	-57.95
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1CC[N@H+]2CCOCC12)C1=CC(=O)[N-]O1	REAL300029163715	1	50	0.0	-70.72	387.17	1.73	-68.99
CC1=[NH+]C=C2C=CC(C(=O)N3C[C@@H](F)C[C@H]3CNC(=O)C3=CC(=O)[N-]O3)=CN21	REAL300029163721	0	46	0.0	-66.41	377.90	5.28	-61.13
C[N@@H+]1CCOCC1CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029163741	1	49	0.0	-69.70	378.99	1.22	-68.48
C[N@H+]1CCOCC1CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029163741	1	49	0.0	-67.02	378.68	1.28	-65.74
CC[NH+]1CCN(CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029163750	0	53	0.0	-71.54	412.10	1.65	-69.89
CC1=CC(N)=[NH+]C=C1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029163804	1	44	0.0	-70.53	359.59	1.60	-68.93
NC1=CC=C(CCC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C=[NH+]1	REAL300029163807	0	47	0.0	-72.67	394.57	2.11	-70.56
CC1(O)CC[N@H+](CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029163853	0	49	0.0	-71.08	391.82	-0.08	-71.16
CC1(O)CC[N@@H+](CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029163853	1	49	0.0	-73.19	392.46	-0.06	-73.25
C[NH+](C)CCN1N=CC=C1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029163861	0	51	0.0	-56.71	410.88	3.14	-53.57
C[NH+]1CC(CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029163890	0	45	0.0	-74.42	366.81	2.38	-72.04
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1CC[N@@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300029163896	0	52	0.0	-73.77	407.47	4.49	-69.28
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1CC[N@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300029163896	1	52	0.0	-72.52	406.28	4.29	-68.23
C[NH+](C)CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029163905	0	41	0.0	-72.50	335.85	1.50	-71.00
C[N@H+](CCO)CCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029163942	0	48	0.0	-73.24	386.32	-0.46	-73.70
C[N@@H+](CCO)CCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029163942	1	48	0.0	-73.45	386.26	-0.45	-73.90
C[C@@H](C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029163943	0	44	0.0	-70.49	349.73	1.81	-68.68
C[N@@H+]1CCCCC1CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029163961	0	51	0.0	-69.92	389.79	4.51	-65.41
C[N@H+]1CCCCC1CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029163961	1	51	0.0	-63.99	387.12	3.64	-60.35
CC1=C2C=C(C(=O)N3C[C@@H](F)C[C@H]3CNC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029163985	1	46	0.0	-74.06	378.62	6.10	-67.96
CC(C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300029163986	1	48	0.0	-64.67	377.03	3.91	-60.76
CC1CC[N@@H+]1CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029163991	1	45	0.0	-69.69	361.67	2.34	-67.35
CC1CC[N@H+]1CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029163991	1	45	0.0	-71.34	367.21	2.60	-68.74
C[NH+](C)CC=CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029164005	0	45	0.0	-77.37	372.40	2.76	-74.61
O=C(CCCC[NH+]1CCCCC1)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029164032	0	57	0.0	-73.46	442.84	5.54	-67.92
CC1=C(C)[NH+]=C(CCC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)N1	REAL300029164043	1	49	0.0	-67.72	406.08	2.81	-64.91
C[NH+]1CCC(C2(C(=O)N3C[C@@H](F)C[C@H]3CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029164052	0	55	0.0	-67.32	416.65	5.58	-61.74
CC1=C2C=C(C(=O)N3C[C@@H](F)C[C@H]3CNC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029164061	1	46	0.0	-74.06	378.62	6.10	-67.96
C[NH+](C)CCSCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029164071	0	48	0.0	-78.34	402.74	3.48	-74.86
O=C(C[N@H+]1CCCC1CO)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029164098	0	49	0.0	-72.14	389.69	0.03	-72.11
O=C(C[N@@H+]1CCCC1CO)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029164098	1	49	0.0	-71.04	385.50	-0.39	-71.43
CC[NH+](CC)CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029164102	0	47	0.0	-70.67	367.18	2.62	-68.05
C[N@H+](CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029164113	0	49	0.0	-78.02	394.69	3.80	-74.22
C[N@@H+](CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029164113	1	49	0.0	-77.34	396.61	3.73	-73.61
O=C(C[NH+]1CCC1)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029164115	1	42	0.0	-73.25	345.85	2.05	-71.20
CC[NH+](CC)CCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029164160	0	50	0.0	-74.03	388.94	3.23	-70.80
NC(=O)C1CC[NH+](CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029164181	0	52	0.0	-83.29	413.49	0.05	-83.24
C[NH+](C)CC1=CNC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029164223	0	49	0.0	-72.30	392.74	3.89	-68.41
CC(C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300029164240	1	52	0.0	-70.15	399.63	1.09	-69.06
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1CC2COCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300029164246	0	50	0.0	-74.65	393.06	1.75	-72.90
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1CC2COCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300029164246	1	50	0.0	-74.23	389.81	1.68	-72.55
CC(C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300029164261	1	45	0.0	-63.60	357.36	3.24	-60.36
CCC(CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029164271	0	53	0.0	-73.72	407.13	4.10	-69.62
NC1=CC=C(C=CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C=[NH+]1	REAL300029164277	0	45	0.0	-76.54	382.55	1.74	-74.80
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029164338	0	48	0.0	-64.06	363.71	3.56	-60.50
C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029164338	1	48	0.0	-58.86	370.57	3.79	-55.07
CC1CN2CC[N@@H+]1CC2C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029164352	0	51	0.0	-78.75	384.57	0.27	-78.48
CC1CN2CC[N@H+]1CC2C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029164352	1	51	0.0	-75.91	385.15	0.17	-75.74
C[NH+](C)CC(O)CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029164377	0	48	0.0	-78.28	388.16	0.62	-77.66
C[NH+]1C2CCC1CC(C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029164380	0	52	0.0	-67.90	353.18	4.22	-63.68
C=CCC(C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029164421	0	48	0.0	-69.76	378.90	3.03	-66.73
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1CC2CCCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300029164430	0	52	0.0	-71.98	401.58	4.17	-67.81
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1CC2CCCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300029164430	1	52	0.0	-68.84	401.76	4.20	-64.64
C[NH+]1CCC(O)(CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029164444	0	52	0.0	-73.76	405.64	1.82	-71.94
COCC[N@@H+]1CCCC1CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029164458	0	55	0.0	-73.91	425.45	2.90	-71.01
COCC[N@H+]1CCCC1CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029164458	1	55	0.0	-70.88	434.74	2.99	-67.89
C[NH+]1C2CCC1CC(CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029164466	0	55	0.0	-72.11	414.00	4.52	-67.59
C[NH+](C)CCN1N=CC=C1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029164499	0	51	0.0	-60.15	393.92	4.22	-55.93
C[NH+]1CCC(C2(C(=O)NC[C@@H]3C[C@H](F)CN3C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029164544	0	55	0.0	-67.68	420.18	5.20	-62.48
CC1=C2C=C(C(=O)NC[C@@H]3C[C@H](F)CN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029164555	1	46	0.0	-80.29	384.50	5.52	-74.77
C[NH+](C)CCSCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029164566	0	48	0.0	-81.24	399.28	3.38	-77.86
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1CC2COCC[N@@H+]2C1	REAL300029164578	0	50	0.0	-74.30	390.62	1.80	-72.50
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1CC2COCC[N@H+]2C1	REAL300029164578	1	50	0.0	-73.23	390.78	1.83	-71.40
C[N@@H+]1CCCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029164737	0	46	0.0	-55.20	357.96	3.75	-51.45
C[N@H+]1CCCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029164737	1	46	0.0	-56.59	359.08	3.74	-52.85
C[N@@H+]1CCOC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029164761	1	47	0.0	-60.32	368.69	3.16	-57.16
C[N@H+]1CCOC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029164761	1	47	0.0	-67.09	361.79	3.16	-63.93
CC(C)C1=[NH+]C=CN1CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029164951	1	53	0.0	-57.95	418.96	5.74	-52.21
CC(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300029164958	0	55	0.0	-54.34	401.03	5.28	-49.06
CC(C)[N@@H+]1CCCCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029164961	0	55	0.0	-56.44	406.22	5.16	-51.28
CC(C)[N@H+]1CCCCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029164961	1	55	0.0	-55.10	395.49	5.26	-49.84
CC(C)[N@@H+]1CCCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029164996	0	52	0.0	-54.36	390.42	4.78	-49.58
CC(C)[N@H+]1CCCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029164996	1	52	0.0	-54.66	391.35	4.84	-49.82
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@@H+]2C1	REAL300029165023	0	53	0.0	-51.92	396.33	5.46	-46.46
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@H+]2C1	REAL300029165023	1	53	0.0	-54.39	399.98	5.36	-49.03
CC(C)C1=[NH+]C=CN1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029165059	1	50	0.0	-55.58	397.65	5.55	-50.03
CC1=[NH+]C=CN1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029165115	1	44	0.0	-57.80	361.44	4.44	-53.36
CC(C[NH+]1CCOCC1)C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029165117	0	53	0.0	-64.01	404.64	3.34	-60.67
O=C(CCC[NH+]1CCCCC1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029165139	0	55	0.0	-61.80	416.43	6.05	-55.75
CC(C)(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300029165168	0	55	0.0	-54.45	395.70	5.18	-49.27
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCC1CC2	REAL300029165187	0	50	0.0	-70.41	374.58	4.39	-66.02
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CCCC2CCC[N@@H+]21	REAL300029165250	0	53	0.0	-53.02	394.44	5.64	-47.38
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CCCC2CCC[N@H+]21	REAL300029165250	1	53	0.0	-55.63	389.66	5.26	-50.37
C[NH+](C)CCN1C=C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C=N1	REAL300029165252	0	52	0.0	-75.31	415.69	4.36	-70.95
C[NH+](C)CCN1C=CC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)=N1	REAL300029165268	0	52	0.0	-72.83	416.07	4.37	-68.46
C[C@@H]1[C@H](C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029165275	0	49	0.0	-58.19	365.55	3.83	-54.36
C[C@@H]1[C@H](C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029165275	1	49	0.0	-57.67	372.00	4.06	-53.61
CCC1=[NH+]C=CN1C(C)CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029165278	1	53	0.0	-58.30	419.50	5.79	-52.51
CC[C@@H]1[C@@H](C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029165281	0	52	0.0	-65.63	389.63	4.36	-61.27
CC[C@@H]1[C@@H](C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029165281	1	52	0.0	-65.01	394.84	4.74	-60.27
CC[N@@H+]1CCOC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029165307	1	50	0.0	-48.43	376.78	3.73	-44.70
CC[N@H+]1CCOC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029165307	1	50	0.0	-68.04	387.63	3.82	-64.22
CC[NH+](CC)CC(F)C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029165376	0	51	0.0	-56.99	390.68	4.21	-52.78
C[NH+](C)CC1=C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)SC=C1	REAL300029165377	0	49	0.0	-57.05	396.44	5.53	-51.52
CC1CCC(C)[NH+]1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029165493	0	52	0.0	-53.41	389.32	4.94	-48.47
O=C(CCC[NH+]1CCCC1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029165500	0	52	0.0	-64.07	403.38	5.12	-58.95
C[NH+](C)CC1=CC=CC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029165501	0	52	0.0	-71.14	409.52	6.35	-64.79
C#CC[NH+]1CCC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029165508	0	51	0.0	-65.85	402.78	5.40	-60.45
O=C(CC[NH+]1CCCCC1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029165509	0	52	0.0	-61.49	397.55	5.01	-56.48
C[NH+](C)CC1=CC=CC=C1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029165513	0	52	0.0	-54.96	401.92	6.63	-48.33
CC[N@@H+]1CCCCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029165523	0	52	0.0	-54.87	383.28	4.75	-50.12
CC[N@H+]1CCCCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029165523	1	52	0.0	-53.72	382.08	4.90	-48.82
CC(C)C(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300029165524	0	58	0.0	-55.65	419.63	6.14	-49.51
C[NH+](C)C(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300029165527	1	52	0.0	-54.30	408.28	6.08	-48.22
CC(C)C[N@@H+]1CCC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029165553	0	55	0.0	-59.05	417.62	5.58	-53.47
CC(C)C[N@H+]1CCC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029165553	1	55	0.0	-57.18	413.88	5.78	-51.40
C[NH+](C)C1(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029165557	0	49	0.0	-57.48	362.44	4.44	-53.04
C[NH+](C)C(CN1C=CC=N1)C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029165559	1	52	0.0	-58.71	406.53	3.83	-54.88
CC(C)[N@@H+]1CCCC1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029165565	0	55	0.0	-57.81	413.59	5.52	-52.29
CC(C)[N@H+]1CCCC1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029165565	1	55	0.0	-52.30	401.77	4.73	-47.57
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CCC[N@@H+]1C1CCCC1	REAL300029165566	0	56	0.0	-59.32	403.82	6.63	-52.69
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CCC[N@H+]1C1CCCC1	REAL300029165566	1	56	0.0	-56.92	408.93	6.29	-50.63
CC(C)[C@@H](C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029165593	0	51	0.0	-52.18	375.71	4.38	-47.80
C[N@H+](CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029165659	0	49	0.0	-55.46	378.74	4.73	-50.73
C[N@@H+](CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029165659	1	49	0.0	-54.42	377.50	4.84	-49.58
CC(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300029165754	0	55	0.0	-55.24	404.23	4.93	-50.31
CN(CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC=[NH+]C=C1	REAL300029165836	0	51	0.0	-56.87	406.12	4.53	-52.34
C#CC[N@H+]1CCC[C@H]1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029165849	1	48	0.0	-58.25	379.53	4.43	-53.82
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029165849	1	48	0.0	-58.16	385.96	4.86	-53.30
C[N@@H+]1CCCC1CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029165859	0	52	0.0	-64.95	400.30	5.17	-59.78
C[N@H+]1CCCC1CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029165859	1	52	0.0	-61.92	393.83	4.85	-57.07
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+](CCC1)C2	REAL300029165873	0	53	0.0	-65.24	389.50	4.92	-60.32
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CCC2CCCC[N@@H+]21	REAL300029165881	0	53	0.0	-56.24	393.14	5.20	-51.04
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CCC2CCCC[N@H+]21	REAL300029165881	1	53	0.0	-54.88	392.27	5.34	-49.54
CC(C)(C[NH+]1CCOCC1)C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029165890	0	56	0.0	-56.38	414.36	3.68	-52.70
O=C(CCCC[NH+]1CCCC1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029165910	0	55	0.0	-66.15	424.87	5.90	-60.25
C[N@H+](CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029165913	1	52	0.0	-59.82	409.17	6.34	-53.48
C[N@@H+](CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029165913	1	52	0.0	-61.87	410.26	6.18	-55.69
C[NH+]1CCC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029165931	0	49	0.0	-63.20	378.11	4.25	-58.95
C[NH+](C)CC1=CC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)=NO1	REAL300029165998	1	48	0.0	-75.93	389.46	3.84	-72.09
CC1=C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300029166000	0	47	0.0	-67.58	383.64	6.63	-60.95
C[N@@H+]1CCCCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029166049	0	49	0.0	-59.87	374.88	4.25	-55.62
C[N@H+]1CCCCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029166049	1	49	0.0	-59.33	361.34	4.14	-55.19
CC(C)C[N@@H+]1CCCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029166083	0	55	0.0	-56.07	417.46	5.92	-50.15
CC(C)C[N@H+]1CCCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029166083	1	55	0.0	-56.96	409.15	5.57	-51.39
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CN2C=[NH+]C=C2C=C1	REAL300029166249	0	44	0.0	-64.23	361.68	6.37	-57.86
CC1=[NH+]C=CN1CCCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029166264	1	50	0.0	-61.62	404.52	5.50	-56.12
O=C(CCCC[NH+]1CCOCC1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029166268	1	56	0.0	-69.13	431.82	4.18	-64.95
C[NH+](C)CC1=CC=C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300029166274	0	52	0.0	-72.44	410.15	6.32	-66.12
O=C(CC[NH+]1CCOCC1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029166275	1	50	0.0	-64.54	388.82	2.59	-61.95
C[NH+](C)C(C)(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300029166295	0	55	0.0	-61.60	408.49	6.17	-55.43
CCC[NH+](CCC)CCCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029166303	0	60	0.0	-65.21	451.63	6.51	-58.70
CC[N@H+](C)C(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300029166304	0	55	0.0	-57.92	425.18	6.91	-51.01
CC[N@@H+](C)C(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300029166304	1	55	0.0	-50.25	424.94	6.96	-43.29
CC1=C[NH+]=CN1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029166327	1	44	0.0	-61.73	362.28	5.09	-56.64
O=C(CN1C=[NH+]C2=C1CCCC2)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029166340	1	51	0.0	-62.23	405.14	6.66	-55.57
C[NH+](C)CC1(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL300029166388	0	58	0.0	-70.95	410.26	7.04	-63.91
C[NH+](C)CCC1=CC=CC=C1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029166389	0	55	0.0	-62.21	420.99	7.11	-55.10
C[N@H+](CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300029166395	0	58	0.0	-62.80	431.96	6.17	-56.63
C[N@@H+](CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300029166395	1	58	0.0	-61.82	431.96	6.18	-55.64
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+]1CCC2	REAL300029166400	0	50	0.0	-57.78	371.72	4.79	-52.99
C[NH+](C)C1CCCC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029166440	0	55	0.0	-62.18	403.54	5.54	-56.64
C[N@@H+]1CCC(CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029166447	0	49	0.0	-67.05	379.36	4.27	-62.78
C[N@H+]1CCC(CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029166447	1	49	0.0	-65.86	378.18	4.40	-61.46
CN(C)C1=CC=[NH+]C=C1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029166461	0	48	0.0	-59.86	382.27	3.68	-56.18
CCC(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029166467	0	48	0.0	-55.53	363.95	3.57	-51.96
C[NH+](C)C1(CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029166491	0	55	0.0	-62.15	396.34	5.17	-56.98
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC2=C[NH+]=CN2C=C1	REAL300029166563	1	44	0.0	-66.48	362.45	6.34	-60.14
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300029166608	1	47	0.0	-72.36	391.08	4.31	-68.05
C[NH+](C)CCCCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029166643	0	51	0.0	-67.70	398.91	4.72	-62.98
CC(C)C(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029166665	0	51	0.0	-63.57	377.03	4.37	-59.20
CCC[N@H+](C)CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029166667	0	51	0.0	-62.97	395.14	4.53	-58.44
CCC[N@@H+](C)CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029166667	1	51	0.0	-60.42	392.97	4.82	-55.60
CCC[N@H+](C)CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029166674	0	48	0.0	-57.63	371.74	4.15	-53.48
CCC[N@@H+](C)CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029166674	1	48	0.0	-59.16	372.78	3.99	-55.17
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C12CC[N@H+](C1)CCC2	REAL300029166705	0	50	0.0	-59.26	371.61	4.04	-55.22
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C12CC[N@@H+](C1)CCC2	REAL300029166705	1	50	0.0	-66.63	371.80	4.01	-62.62
C[N@@H+]1CCC[C@@H]1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029166774	0	46	0.0	-53.97	352.92	3.21	-50.76
C[N@H+]1CCC[C@@H]1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029166774	1	46	0.0	-56.48	358.02	3.73	-52.75
CC1CC2CCC(C(=O)NCC34CC(C3)CN4C(=O)C3=CC(=O)[N-]O3)C[N@@H+]2C1	REAL300029166802	0	56	0.0	-58.27	416.51	6.21	-52.06
CC1CC2CCC(C(=O)NCC34CC(C3)CN4C(=O)C3=CC(=O)[N-]O3)C[N@H+]2C1	REAL300029166802	1	56	0.0	-57.56	419.84	6.15	-51.41
CCCCCC[N@H+](C)CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029166859	0	57	0.0	-58.53	436.24	6.49	-52.04
CCCCCC[N@@H+](C)CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029166859	1	57	0.0	-59.99	437.27	6.34	-53.65
CC[NH+](CC)C(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300029166870	0	57	0.0	-60.07	410.81	5.31	-54.76
CC[NH+](CC)CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029166881	0	48	0.0	-58.16	365.14	3.67	-54.49
CCC[N@@H+]1CCCC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029166915	0	55	0.0	-60.82	416.66	5.69	-55.13
CCC[N@H+]1CCCC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029166915	1	55	0.0	-62.46	416.66	5.68	-56.78
CC(C)[N@@H+]1CCOC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029166939	0	53	0.0	-65.97	397.76	4.10	-61.87
CC(C)[N@H+]1CCOC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029166939	1	53	0.0	-57.61	393.80	3.70	-53.91
CC1CC[NH+](CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029166981	0	52	0.0	-55.62	394.34	5.36	-50.26
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300029167013	1	47	0.0	-74.63	391.82	4.19	-70.44
C[NH+]1CCC(OCC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029167023	0	53	0.0	-70.76	413.50	4.68	-66.08
C[NH+](C)CC1(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029167042	0	49	0.0	-66.75	378.59	4.49	-62.26
CC1=[NH+]C=C2CCC(C(=O)NCC34CC(C3)CN4C(=O)C3=CC(=O)[N-]O3)CN21	REAL300029167043	1	51	0.0	-56.05	395.86	5.60	-50.45
CC(C)[NH+]1CCC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029167150	0	55	0.0	-60.55	408.77	5.21	-55.34
C[NH+]1CCC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029167181	0	49	0.0	-63.20	378.11	4.25	-58.95
CC(C)[C@H](C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029167204	0	51	0.0	-64.00	379.20	4.25	-59.75
CCC(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300029167243	0	54	0.0	-52.01	394.28	4.88	-47.13
CC[N@H+](C)CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029167342	0	48	0.0	-62.48	373.64	3.79	-58.69
CC[N@@H+](C)CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029167342	1	48	0.0	-59.98	371.48	4.08	-55.90
CC1CCC[N@@H+]1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029167424	0	49	0.0	-54.88	377.37	4.39	-50.49
CC1CCC[N@H+]1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029167424	1	49	0.0	-54.55	377.38	4.53	-50.02
CC1CC[N@H+](CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029167427	0	49	0.0	-56.65	377.66	4.46	-52.19
CC1CC[N@@H+](CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029167427	1	49	0.0	-57.01	378.26	4.35	-52.66
CC(C)(C)[N@@H+]1CCC(F)(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029167428	0	55	0.0	-53.23	413.04	5.01	-48.22
CC(C)(C)[N@H+]1CCC(F)(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029167428	1	55	0.0	-54.76	412.22	4.94	-49.82
CC1=[NH+]C=C2CC(C(=O)NCC34CC(C3)CN4C(=O)C3=CC(=O)[N-]O3)CCN21	REAL300029167430	1	51	0.0	-54.91	397.62	5.59	-49.32
C[NH+](C)CCC1=CC=C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300029167432	0	55	0.0	-74.73	432.65	7.17	-67.56
CC1(C)CC[N@H+](CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029167434	0	52	0.0	-55.75	397.06	5.04	-50.71
CC1(C)CC[N@@H+](CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029167434	1	52	0.0	-56.20	397.98	4.98	-51.22
C[N@H+](CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029167435	0	54	0.0	-56.41	402.14	5.25	-51.16
C[N@@H+](CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029167435	1	54	0.0	-58.66	403.69	5.15	-53.51
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029167436	0	55	0.0	-60.10	430.51	7.30	-52.80
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029167436	1	55	0.0	-62.73	432.69	7.03	-55.70
CC[C@@H](C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029167448	0	48	0.0	-53.89	362.03	3.85	-50.04
CC(COCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCC1	REAL300029167456	0	56	0.0	-61.12	432.13	5.35	-55.77
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CC[NH+](CC2CC2)CC1	REAL300029167558	0	56	0.0	-63.69	427.32	6.46	-57.23
C[NH+]1CCC(O)(CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029167715	0	53	0.0	-63.86	403.06	3.06	-60.80
COCC[N@@H+]1CCCC1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029167722	0	56	0.0	-62.15	421.60	4.01	-58.14
COCC[N@H+]1CCCC1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029167722	1	56	0.0	-58.61	430.39	4.22	-54.39
C[NH+](C)CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029167730	0	42	0.0	-60.20	333.55	2.58	-57.62
O=C(C[NH+]1CCC(CO)CC1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029167735	1	53	0.0	-59.15	404.78	2.03	-57.12
O=C(C[NH+]1CCCCCC1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029167739	0	52	0.0	-57.38	383.08	4.89	-52.49
CN1C=C[N+](CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029167744	0	44	0.0	-57.42	364.78	6.10	-51.32
C[N@@H+]1CCCC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029167755	0	49	0.0	-63.23	375.63	4.40	-58.83
C[N@H+]1CCCC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029167755	1	49	0.0	-55.06	366.41	4.61	-50.45
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CCC[N@@H+]1C1CC1	REAL300029167761	0	50	0.0	-54.16	385.17	5.31	-48.85
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CCC[N@H+]1C1CC1	REAL300029167761	1	50	0.0	-61.16	377.10	5.38	-55.78
CC(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300029167801	1	46	0.0	-54.91	359.53	3.93	-50.98
CCC(CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029167811	0	54	0.0	-59.10	408.79	5.19	-53.91
C[NH+](C)CC(C)(C)C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029167820	0	51	0.0	-63.45	383.39	4.32	-59.13
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C12CC(C1)C[N@@H+]2C1CC1	REAL300029167844	0	51	0.0	-52.59	372.92	4.53	-48.06
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C12CC(C1)C[N@H+]2C1CC1	REAL300029167844	1	51	0.0	-53.32	388.78	4.93	-48.39
O=C(C[NH+]1CCC(O)CC1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029167868	1	50	0.0	-59.28	384.60	1.40	-57.88
C[N@H+](CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029167870	0	46	0.0	-56.55	362.82	3.99	-52.56
C[N@@H+](CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029167870	1	46	0.0	-54.31	360.79	4.26	-50.05
CC(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300029167871	1	54	0.0	-67.11	403.17	2.57	-64.54
C[NH+]1CC(CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029167901	0	46	0.0	-65.99	364.99	3.41	-62.58
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CC[N@@H+]1C1CCCC1	REAL300029167905	0	53	0.0	-57.06	399.09	5.17	-51.89
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CC[N@H+]1C1CCCC1	REAL300029167905	1	53	0.0	-57.86	398.24	5.15	-52.71
CC(C)(C)[N@@H+]1CCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029167914	0	52	0.0	-52.05	373.10	4.33	-47.72
CC(C)(C)[N@H+]1CCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029167914	1	52	0.0	-57.14	394.31	4.42	-52.72
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300029167925	0	52	0.0	-68.33	410.00	3.56	-64.77
C[C@@H](C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029167928	0	45	0.0	-54.30	349.48	3.26	-51.04
CCC1CCC[N@H+](CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029167982	0	55	0.0	-57.60	413.90	5.79	-51.81
CCC1CCC[N@@H+](CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029167982	1	55	0.0	-57.46	413.89	5.78	-51.68
C[NH+](C)CC1=CC=C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)N1	REAL300029167991	0	50	0.0	-66.99	398.23	4.05	-62.94
C[NH+]1C2CCC1CC(CC(=O)NCC13CC(C1)CN3C(=O)C1=CC(=O)[N-]O1)C2	REAL300029168006	0	56	0.0	-70.24	399.22	5.03	-65.21
C[NH+](C)C(CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300029168013	0	55	0.0	-66.34	423.77	6.60	-59.74
[NH2+]=C1SC=CN1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168055	0	42	0.0	-56.56	359.08	3.00	-53.56
C[N@H+](CCO)CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168069	0	49	0.0	-61.29	381.83	0.86	-60.43
C[N@@H+](CCO)CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168069	1	49	0.0	-63.18	383.98	0.56	-62.62
C[C@@H](C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029168070	0	45	0.0	-54.30	349.48	3.26	-51.04
C[N@@H+]1CCCC[C@@H]1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168075	0	49	0.0	-58.58	359.18	4.21	-54.37
C[N@H+]1CCCC[C@@H]1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168075	1	49	0.0	-53.67	374.86	4.26	-49.41
CC1CN2CC[N@@H+]1CC2C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168085	0	52	0.0	-54.90	382.09	1.63	-53.27
CC1CN2CC[N@H+]1CC2C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168085	1	52	0.0	-53.93	382.04	1.62	-52.31
COC1C[N@@H+]2CCCC2(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029168138	0	54	0.0	-54.78	406.42	3.50	-51.28
COC1C[N@H+]2CCCC2(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029168138	1	54	0.0	-50.50	405.25	3.61	-46.89
O=C(CC1=CC2=C[NH+]=CN2C=C1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168154	0	47	0.0	-66.06	386.41	7.01	-59.05
C[N@H+](CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029168188	0	50	0.0	-63.70	391.50	5.05	-58.65
C[N@@H+](CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029168188	1	50	0.0	-59.71	390.77	5.11	-54.60
C[NH+](C)CC1=CC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)=CC=N1	REAL300029168228	1	51	0.0	-66.97	405.65	4.92	-62.05
C[N@@H+]1CCC(=CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029168230	0	47	0.0	-68.75	371.77	4.21	-64.54
C[N@H+]1CCC(=CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029168230	1	47	0.0	-68.63	370.80	4.24	-64.39
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1C[NH+](C2CCCCC2)C1	REAL300029168258	0	56	0.0	-59.37	425.87	5.96	-53.41
C[NH+](C)CCOCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168277	0	49	0.0	-63.27	389.42	3.64	-59.63
CCCCC[N@H+](C)CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168284	0	57	0.0	-63.74	438.14	6.09	-57.65
CCCCC[N@@H+](C)CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168284	1	57	0.0	-61.16	435.97	6.39	-54.77
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)O1	REAL300029168294	0	53	0.0	-65.74	409.75	4.74	-61.00
C=CCC(C)(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029168306	0	52	0.0	-54.95	388.94	4.60	-50.35
C[S+](C)CCC(O)C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168311	0	48	0.0	-70.39	398.40	2.26	-68.13
C[N@@H+]1CC(O)CC1(C)C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168349	0	50	0.0	-69.07	377.43	1.25	-67.82
CN1CC[N@H+](C)CC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029168364	0	54	0.0	-58.96	403.65	2.44	-56.52
CN1CC[N@@H+](C)CC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029168364	1	54	0.0	-58.96	403.65	2.44	-56.52
CC(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)N1CCCC(O)C1	REAL300029168365	0	53	0.0	-56.73	401.03	1.74	-54.99
CC(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300029168365	1	53	0.0	-57.04	402.75	1.69	-55.35
CC(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[N@H+]1CCCC(O)C1	REAL300029168365	1	53	0.0	-57.04	402.75	1.69	-55.35
O=C(CN1CCC(CO)CC1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168381	0	53	0.0	-59.15	404.78	2.03	-57.12
O=C(C[NH+]1CCC(CO)CC1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168381	1	53	0.0	-59.15	404.78	2.03	-57.12
C[N@@H+]1CCCC(O)(CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029168392	0	53	0.0	-62.29	402.19	3.17	-59.12
C[N@H+]1CCCC(O)(CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029168392	1	53	0.0	-62.29	402.19	3.17	-59.12
CC1CN(CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029168396	0	46	0.0	-59.90	363.63	3.74	-56.16
CC1C[NH+](CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029168396	1	46	0.0	-59.90	363.63	3.74	-56.16
NC(=O)C1CCN(CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029168401	0	53	0.0	-70.22	411.57	1.14	-69.08
NC(=O)C1CC[NH+](CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029168401	1	53	0.0	-70.22	411.57	1.14	-69.08
CN(CCO)CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168427	0	46	0.0	-60.97	361.63	0.02	-60.95
C[N@H+](CCO)CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168427	1	46	0.0	-57.24	360.38	0.16	-57.08
C[N@@H+](CCO)CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168427	1	46	0.0	-57.24	360.38	0.16	-57.08
C[NH+]1C2CCC1CC(=CC(=O)NCC13CC(C1)CN3C(=O)C1=CC(=O)[N-]O1)C2	REAL300029168453	0	54	0.0	-65.43	404.42	5.83	-59.60
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1C[N@@H+]2CCN1CCC2	REAL300029168458	0	52	0.0	-57.53	377.18	1.80	-55.73
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1C[N@H+]2CCN1CCC2	REAL300029168458	1	52	0.0	-57.53	377.18	1.80	-55.73
CC[N@@H+]1CCCC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029168467	0	52	0.0	-54.39	383.77	5.26	-49.13
CC[N@H+]1CCCC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029168467	1	52	0.0	-54.39	383.77	5.26	-49.13
CC(CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029168469	0	51	0.0	-66.89	390.74	4.59	-62.30
CC[N@H+](C)CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168486	0	45	0.0	-58.88	351.28	3.25	-55.63
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C12CCC[N@@H+]1CCCC2	REAL300029168517	0	53	0.0	-61.13	378.14	5.33	-55.80
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C12CCC[N@H+]1CCCC2	REAL300029168517	1	53	0.0	-61.13	378.14	5.33	-55.80
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C12CCC[N@@H+]1CC=CC2	REAL300029168527	0	51	0.0	-61.42	376.35	5.20	-56.22
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C12CCC[N@H+]1CC=CC2	REAL300029168527	1	51	0.0	-61.42	376.35	5.20	-56.22
CC[N@H+](CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029168556	0	49	0.0	-56.73	379.60	4.60	-52.13
CC[NH+](CC)CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168581	0	51	0.0	-61.54	391.50	4.50	-57.04
O=C(CCCC[NH+]1CCCCC1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168621	0	58	0.0	-64.14	437.93	6.85	-57.29
CC1(O)CC[N@H+](CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029168656	0	50	0.0	-59.41	389.47	1.09	-58.32
C[NH+](C)CC=CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168669	0	46	0.0	-68.89	369.51	3.81	-65.08
CC(OCC[NH+](C)C)C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168699	0	52	0.0	-60.87	409.21	4.33	-56.54
C[NH+](C)CCOCCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168711	0	52	0.0	-66.98	410.37	3.39	-63.59
COCCN(C)CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168712	0	49	0.0	-56.74	382.64	2.57	-54.17
COCC[N@H+](C)CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168712	1	49	0.0	-60.83	383.88	2.42	-58.41
COCC[N@@H+](C)CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168712	1	49	0.0	-60.83	383.88	2.42	-58.41
COCCCC[N@H+](C)CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168745	0	58	0.0	-63.75	448.15	4.68	-59.07
COCCCC[N@@H+](C)CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168745	1	58	0.0	-63.75	448.15	4.68	-59.07
C[NH+](C)C1(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029168771	0	52	0.0	-62.21	380.37	4.98	-57.23
CC(CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029168774	0	51	0.0	-60.97	386.89	4.32	-56.65
CCN1CCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168785	0	46	0.0	-59.38	356.80	3.56	-55.82
CC[N@@H+]1CCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168785	1	46	0.0	-58.86	356.06	3.19	-55.67
CC[N@H+]1CCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168785	1	46	0.0	-58.86	356.06	3.19	-55.67
CC(C)[N@@H+]1CCCC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029168800	0	55	0.0	-58.42	410.77	5.61	-52.81
CC(C)[N@H+]1CCCC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029168800	1	55	0.0	-58.42	410.77	5.61	-52.81
CC(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[N@H+](C)CC1=CC=CC=C1	REAL300029168807	0	55	0.0	-60.73	428.43	6.59	-54.14
O=C(C[N@H+]1CCCC1CO)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168816	0	50	0.0	-56.49	387.79	1.20	-55.29
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@@H+]2C1	REAL300029168846	0	53	0.0	-54.39	399.98	5.36	-49.03
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@H+]2C1	REAL300029168846	1	53	0.0	-54.39	399.98	5.36	-49.03
C[NH+]1CCC(C)(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029168856	0	52	0.0	-53.17	383.98	4.90	-48.27
C[NH+](C)CC1=CNC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029168862	0	50	0.0	-66.38	398.91	4.07	-62.31
CC(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300029168884	1	53	0.0	-61.51	404.43	1.48	-60.03
C=CCC(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029168902	0	49	0.0	-55.93	380.17	4.26	-51.67
C[N@@H+]1CC(C)(C)CC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168922	0	52	0.0	-59.97	391.94	4.48	-55.49
C[N@H+]1CC(C)(C)CC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168922	1	52	0.0	-54.89	393.85	4.73	-50.16
C[NH+](C)CCCCCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168927	0	54	0.0	-68.82	420.41	5.50	-63.32
O=C(C[NH+]1CC2CC2C1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168938	0	47	0.0	-56.74	367.84	4.62	-52.12
CC1C[N@@H+]2CCN1C(C(=O)NCC13CC(C1)CN3C(=O)C1=CC(=O)[N-]O1)C2	REAL300029168979	0	52	0.0	-65.59	378.68	2.38	-63.21
CC1C[N@H+]2CCN1C(C(=O)NCC13CC(C1)CN3C(=O)C1=CC(=O)[N-]O1)C2	REAL300029168979	1	52	0.0	-71.00	385.99	1.69	-69.31
CCCC(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029168980	0	51	0.0	-55.28	385.58	4.34	-50.94
C[NH+](C)C(C)(C)C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168985	0	48	0.0	-54.50	355.31	3.45	-51.05
CC[NH+](CC)CCSCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029169028	0	55	0.0	-67.84	431.69	5.61	-62.23
C[N@@H+]1CCCCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029169040	0	49	0.0	-59.87	374.88	4.25	-55.62
C[N@H+]1CCCCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029169040	1	49	0.0	-59.33	361.34	4.14	-55.19
C[N@H+]1CC=C(CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029169096	0	50	0.0	-66.62	392.10	5.02	-61.60
C[N@@H+]1CC=C(CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029169096	1	50	0.0	-65.37	392.07	4.99	-60.38
O=C(CC1([NH+]2CCCC2)CC1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029169108	0	53	0.0	-57.69	397.62	5.47	-52.22
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029169167	0	58	0.0	-68.84	414.96	5.37	-63.47
C[N@H+]1CCCC(C(C)(C)C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029169167	1	58	0.0	-68.84	414.96	5.37	-63.47
CN(C)CC1=CC=C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)O1	REAL300029169172	0	49	0.0	-63.75	396.01	4.45	-59.30
C[NH+](C)CC1=CC=C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)O1	REAL300029169172	1	49	0.0	-63.75	396.01	4.45	-59.30
O=C(C=CC[NH+]1CCCC1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029169196	0	50	0.0	-67.09	395.85	5.01	-62.08
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CC[NH+](C2CC2)CC1	REAL300029169225	0	53	0.0	-58.99	401.12	5.61	-53.38
O=C(CC[NH+]1CCCC1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029169254	0	49	0.0	-61.90	381.88	4.32	-57.58
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCN1CC2	REAL300029169309	0	49	0.0	-68.73	368.07	1.31	-67.42
C[N@@H+]1CC2CC1(C(=O)NCC13CC(C1)CN3C(=O)C1=CC(=O)[N-]O1)C2	REAL300029169320	0	47	0.0	-55.30	358.47	3.96	-51.34
O=C(C[N@@H+]1CC2CCC1C2)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029169336	0	50	0.0	-56.97	376.47	4.62	-52.35
CC(C)[NH+]1CCC(CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029169350	0	58	0.0	-65.10	427.41	5.91	-59.19
O=C(C=C1C[NH+]2CCC1CC2)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029169402	0	51	0.0	-63.78	388.15	5.22	-58.56
O=C(CN1CC2C=CC1C2)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029169416	0	48	0.0	-55.34	371.77	4.71	-50.63
O=C(C[N@@H+]1CC2C=CC1C2)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029169416	1	48	0.0	-56.04	372.53	4.66	-51.38
O=C(C[N@H+]1CC2C=CC1C2)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029169416	1	48	0.0	-56.04	372.53	4.66	-51.38
C[NH+](C)CC(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300029169457	0	55	0.0	-63.64	429.41	6.91	-56.73
CC(C[NH+](C)C)C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029169486	0	48	0.0	-62.67	371.96	3.86	-58.81
C[N@@H+]1CCCCC1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029169591	0	52	0.0	-52.19	385.33	4.64	-47.55
C[N@H+]1CCCCC1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029169591	1	52	0.0	-52.19	385.33	4.64	-47.55
CC1=C2C=C(C(=O)NCC34CC(C3)CN4C(=O)C3=CC(=O)[N-]O3)C=CN2C=N1	REAL300029169614	0	47	0.0	-63.25	383.86	6.95	-56.30
CC1=C2C=C(C(=O)NCC34CC(C3)CN4C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029169614	1	47	0.0	-63.25	383.86	6.95	-56.30
CC(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)N1CC(C)C1	REAL300029169615	0	49	0.0	-55.77	377.30	4.56	-51.21
CC(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300029169615	1	49	0.0	-55.77	377.30	4.56	-51.21
CC1CCN1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029169619	0	46	0.0	-56.25	358.23	3.54	-52.71
CC1CC[N@@H+]1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029169619	1	46	0.0	-57.71	363.88	3.80	-53.91
CC1CC[N@H+]1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029169619	1	46	0.0	-57.71	363.88	3.80	-53.91
C[NH+](C)CC(O)CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029169624	0	49	0.0	-67.65	386.25	1.59	-66.06
CC1CN(C)CC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)O1	REAL300029169663	0	50	0.0	-71.41	391.52	3.85	-67.56
CC1C[N@H+](C)CC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)O1	REAL300029169663	1	50	0.0	-70.27	384.39	3.69	-66.58
CC1C[N@@H+](C)CC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)O1	REAL300029169663	1	50	0.0	-70.27	384.39	3.69	-66.58
O=C(CC[NH+]1CCC(O)CC1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029169676	0	53	0.0	-62.78	406.02	1.92	-60.86
CCC[N@@H+]1CCCCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029169679	0	55	0.0	-54.09	403.85	5.65	-48.44
CCC[N@H+]1CCCCC1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029169679	1	55	0.0	-54.09	403.85	5.65	-48.44
CC[NH+]1CCN(CCC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029169684	0	57	0.0	-62.74	432.16	3.24	-59.50
CCN1CC[NH+](CCC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029169684	1	57	0.0	-62.74	432.16	3.24	-59.50
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300029169687	0	56	0.0	-52.88	404.07	6.19	-46.69
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300029169687	1	56	0.0	-52.88	404.07	6.19	-46.69
CC(C)C[NH+]1CCC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029169737	0	58	0.0	-63.04	434.58	6.34	-56.70
C[NH+](C)C1CCN(CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029169765	0	57	0.0	-68.67	425.85	3.45	-65.22
C[NH+](C)[C@H]1C[C@H](C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029169788	0	49	0.0	-65.79	380.79	4.61	-61.18
CC(CC[NH+](C)C)C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029169796	0	51	0.0	-65.66	393.59	4.48	-61.18
C[N@H+](CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029169830	0	53	0.0	-55.51	402.67	1.99	-53.52
C[NH+]1CCN(CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029169847	1	51	0.0	-66.97	391.53	2.24	-64.73
CC[NH+]1CCN(CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029169859	0	54	0.0	-65.36	408.77	2.88	-62.48
NC(=[NH2+])SCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029169893	0	40	0.0	-61.36	342.08	-0.54	-61.90
CC[N@@H+]1CCOCC1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029169941	0	53	0.0	-63.64	400.72	3.15	-60.49
C[NH+](C)CCC1(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029169960	0	58	0.0	-74.02	429.40	6.40	-67.62
CC1CCCC(C)[NH+]1CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029169962	0	58	0.0	-58.32	424.13	5.69	-52.63
C[NH+](C)C1CCC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029169965	0	55	0.0	-54.06	404.24	5.26	-48.80
C[NH+](C)CCC1(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029169966	0	52	0.0	-71.98	400.44	5.94	-66.04
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029169970	0	55	0.0	-53.69	401.24	5.40	-48.29
C[N@@H+]1CC=CCC1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029169971	0	50	0.0	-51.93	378.91	4.67	-47.26
C[N@H+]1CC=CCC1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029169971	1	50	0.0	-51.93	378.91	4.67	-47.26
C[C@@H](OCC[NH+](C)C)C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029170003	0	52	0.0	-64.78	403.88	4.60	-60.18
C[NH+]1C2CCC1CC(C(=O)NCC13CC(C1)CN3C(=O)C1=CC(=O)[N-]O1)C2	REAL300029170038	0	53	0.0	-62.89	376.49	5.14	-57.75
CC(C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300029170201	1	50	0.0	-57.89	392.72	4.58	-53.31
CCC1C[NH+](CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029170204	1	49	0.0	-59.88	386.19	4.44	-55.44
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1C[NH+](C2CCOCC2)C1	REAL300029170206	0	54	0.0	-60.94	416.81	3.54	-57.40
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1([NH+]2CCCC2)CCC1	REAL300029170208	0	53	0.0	-53.40	392.01	4.86	-48.54
C[N@H+]1CCC[C@H]1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029170219	1	46	0.0	-52.31	351.52	3.43	-48.88
O=C(CC[N@@H+]1CCC(F)C1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029170229	1	49	0.0	-63.34	386.34	4.65	-58.69
COC1C[N@@H+](C)C(C)(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029170238	1	53	0.0	-61.72	398.50	3.69	-58.03
O=C(CC[NH+]1CCCCCC1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029170251	0	55	0.0	-59.25	405.56	5.52	-53.73
O=C(C[NH+]1CCCCC1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029170254	0	49	0.0	-56.09	373.72	4.69	-51.40
CC1C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029170264	0	49	0.0	-63.77	374.13	3.85	-59.92
CC1C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029170264	1	49	0.0	-56.46	373.73	4.33	-52.13
C[N@@H+]1CCCCC1CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029170267	0	55	0.0	-62.96	405.35	5.59	-57.37
C[N@H+]1CCCCC1CCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029170267	1	55	0.0	-62.28	414.23	5.59	-56.69
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CC[N@@H+]2CCOCC12	REAL300029170305	0	51	0.0	-60.31	386.74	3.10	-57.21
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CC[N@H+]2CCOCC12	REAL300029170305	1	51	0.0	-61.97	388.00	2.98	-58.99
CC1=[NH+]C=C2C=CC(C(=O)NCC34CC(C3)CN4C(=O)C3=CC(=O)[N-]O3)=CN21	REAL300029170313	0	47	0.0	-59.87	383.09	6.15	-53.72
CN1CCOCC1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029170336	0	50	0.0	-63.25	382.69	2.58	-60.67
C[N@@H+]1CCOCC1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029170336	1	50	0.0	-63.76	383.18	2.56	-61.20
C[N@H+]1CCOCC1CC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029170336	1	50	0.0	-63.25	382.69	2.58	-60.67
CC1=C(C)[NH+]=C(CCC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)N1	REAL300029170348	1	50	0.0	-57.83	403.79	3.87	-53.96
C[NH+](C)CCC1=CC=CC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029170360	0	55	0.0	-73.65	432.03	7.19	-66.46
CC(C)C[N@@H+]1CCCC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029170368	0	58	0.0	-57.62	426.65	6.72	-50.90
CC(C)C[N@H+]1CCCC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029170368	1	58	0.0	-59.30	433.03	6.54	-52.76
C[N@@H+]1CCCC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029170536	0	46	0.0	-61.27	357.22	3.56	-57.71
C[N@H+]1CCCC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029170536	1	46	0.0	-67.54	352.60	3.42	-64.12
CC1=[NH+]C=CN1CCCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029170735	1	50	0.0	-62.52	404.19	5.90	-56.62
O=C(CCCC[NH+]1CCOCC1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029170739	1	56	0.0	-71.62	431.87	4.54	-67.08
C[NH+](C)CC1=CC=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C=C1	REAL300029170745	0	52	0.0	-83.42	406.23	5.94	-77.48
O=C(CC[NH+]1CCOCC1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029170746	1	50	0.0	-70.55	388.49	3.02	-67.53
C[NH+](C)C(C)(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300029170766	0	55	0.0	-71.88	405.61	6.77	-65.11
CCC[NH+](CCC)CCCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029170774	0	60	0.0	-67.49	451.31	6.91	-60.58
CC[N@@H+](C)C(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300029170775	1	55	0.0	-60.14	425.16	6.84	-53.30
O=C(NCC12CC(C1)CN2C(=O)C12CCC[NH+]1CCC2)C1=CC(=O)[N-]O1	REAL300029170793	0	50	0.0	-60.67	372.64	4.18	-56.49
O=C(NCC12CC(C1)CN2C(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC(=O)[N-]O1	REAL300029170811	1	44	0.0	-78.17	358.93	5.95	-72.22
C[NH+](C)C1CCCC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029170891	0	55	0.0	-53.74	401.94	5.32	-48.42
C[N@@H+]1CCC(CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029170898	0	49	0.0	-69.25	381.23	4.37	-64.88
C[N@H+]1CCC(CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029170898	1	49	0.0	-67.43	380.78	4.42	-63.01
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029170912	0	48	0.0	-80.02	379.61	3.18	-76.84
CCC(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029170918	0	48	0.0	-66.03	364.97	4.06	-61.97
O=C(NCC12CC(C1)CN2C(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1)C1=CC(=O)[N-]O1	REAL300029170928	1	47	0.0	-86.63	390.92	4.49	-82.14
CC1CC2CCC(C(=O)N3CC4CC3(CNC(=O)C3=CC(=O)[N-]O3)C4)C[N@@H+]2C1	REAL300029170980	0	56	0.0	-65.34	421.69	6.19	-59.15
CC1CC2CCC(C(=O)N3CC4CC3(CNC(=O)C3=CC(=O)[N-]O3)C4)C[N@H+]2C1	REAL300029170980	1	56	0.0	-68.25	422.51	6.15	-62.10
C[NH+](C)CCCCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029171018	0	51	0.0	-70.08	398.58	5.13	-64.95
CC(C)C(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029171042	0	51	0.0	-66.60	375.82	4.77	-61.83
CCC[N@H+](C)CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029171044	0	51	0.0	-68.46	394.82	4.97	-63.49
CCC[N@@H+](C)CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029171044	1	51	0.0	-68.67	395.80	4.83	-63.84
CCC[N@H+](C)CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029171051	0	48	0.0	-64.83	372.44	4.39	-60.44
CCC[N@@H+](C)CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029171051	1	48	0.0	-65.15	373.50	4.26	-60.89
O=C(NCC12CC(C1)CN2C(=O)C12CC[N@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300029171082	0	50	0.0	-79.26	366.00	3.82	-75.44
O=C(NCC12CC(C1)CN2C(=O)C12CC[N@@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300029171082	1	50	0.0	-68.58	367.92	3.73	-64.85
CCCCCC[N@H+](C)CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029171136	0	57	0.0	-65.98	436.94	6.74	-59.24
CCCCCC[N@@H+](C)CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029171136	1	57	0.0	-65.96	437.88	6.68	-59.28
CC[NH+](CC)C(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)C(C)C	REAL300029171147	0	57	0.0	-60.62	407.66	5.55	-55.07
CC1CC[NH+](CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029171192	0	52	0.0	-67.58	396.74	5.39	-62.19
O=C(NCC12CC(C1)CN2C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C1=CC(=O)[N-]O1	REAL300029171224	1	47	0.0	-74.15	387.29	4.05	-70.10
C[NH+]1CCC(OCC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029171234	0	53	0.0	-76.02	413.17	4.97	-71.05
O=C(NCC12CC(C1)CN2C(=O)C1CC2CCCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300029171307	0	53	0.0	-65.43	398.46	5.50	-59.93
O=C(NCC12CC(C1)CN2C(=O)C1CC2CCCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300029171307	1	53	0.0	-74.41	399.78	5.22	-69.19
C[NH+](C)CC1(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029171323	0	49	0.0	-78.68	375.61	4.66	-74.02
CC1=[NH+]C=C2CCC(C(=O)N3CC4CC3(CNC(=O)C3=CC(=O)[N-]O3)C4)CN21	REAL300029171324	1	51	0.0	-65.08	402.50	5.49	-59.59
CC(C)[NH+]1CCC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029171336	0	55	0.0	-71.06	413.20	5.70	-65.36
CC[N@H+](C)CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029171376	0	48	0.0	-67.79	374.30	4.10	-63.69
CC[N@@H+](C)CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029171376	1	48	0.0	-67.56	373.32	4.22	-63.34
CC(C)(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCC1	REAL300029171412	0	55	0.0	-68.48	394.75	5.62	-62.86
O=C(NCC12CC(C1)CN2C(=O)C1C[NH+]2CCC1CC2)C1=CC(=O)[N-]O1	REAL300029171431	0	50	0.0	-74.98	372.35	4.38	-70.60
C[NH+]1CCC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029171533	0	49	0.0	-70.94	379.35	4.34	-66.60
CC(C)[C@H](C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029171556	0	51	0.0	-63.39	378.70	4.72	-58.67
O=C(NCC12CC(C1)CN2C(=O)C1CC[NH+](CC2CC2)CC1)C1=CC(=O)[N-]O1	REAL300029171658	0	56	0.0	-71.64	428.54	6.54	-65.10
CC[NH+](CC)CC(F)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029171706	0	51	0.0	-65.51	391.07	4.67	-60.84
C[NH+](C)CC1=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)SC=C1	REAL300029171707	0	49	0.0	-53.62	395.63	5.05	-48.57
CC(C)C[N@@H+]1CCC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029171754	0	55	0.0	-66.88	416.49	5.63	-61.25
CC(C)C[N@H+]1CCC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029171754	1	55	0.0	-66.88	417.35	5.82	-61.06
C[NH+](C)C1(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CCC1	REAL300029171758	0	49	0.0	-68.81	361.67	3.84	-64.97
CCC(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](CC)CC	REAL300029171797	0	54	0.0	-66.22	393.64	5.31	-60.91
CC1CCC[N@@H+]1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029171829	0	49	0.0	-63.34	380.05	4.57	-58.77
CC1CCC[N@H+]1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029171829	1	49	0.0	-61.31	372.30	4.30	-57.01
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029171928	1	53	0.0	-62.32	418.63	6.15	-56.17
CC(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCCC1	REAL300029171935	0	55	0.0	-62.82	402.38	5.29	-57.53
CC(C)[N@@H+]1CCCCC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029171938	0	55	0.0	-61.86	396.97	5.11	-56.75
CC(C)[N@H+]1CCCCC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029171938	1	55	0.0	-61.72	396.51	5.18	-56.54
CC(C)[N@@H+]1CCCC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029171973	0	52	0.0	-61.87	388.89	4.95	-56.92
CC(C)[N@H+]1CCCC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029171973	1	52	0.0	-61.01	389.38	4.66	-56.35
C[NH+](C)C(CN1C=CC=N1)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029171980	1	52	0.0	-72.83	405.04	4.59	-68.24
CC(C)[N@@H+]1CCCC1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029171986	0	55	0.0	-66.20	406.18	4.25	-61.95
CC(C)[N@H+]1CCCC1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029171986	1	55	0.0	-65.67	414.19	5.27	-60.40
O=C(NCC12CC(C1)CN2C(=O)C1CCC[N@@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300029171987	0	56	0.0	-70.48	399.03	6.39	-64.09
O=C(NCC12CC(C1)CN2C(=O)C1CCC[N@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300029171987	1	56	0.0	-60.22	414.17	6.03	-54.19
CC(C)[C@@H](C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029172014	0	51	0.0	-62.17	378.48	4.28	-57.89
CC1CC[N@H+](CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029172051	0	49	0.0	-64.98	378.53	4.67	-60.31
CC1CC[N@@H+](CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029172051	1	49	0.0	-65.16	380.13	4.46	-60.70
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029172052	0	55	0.0	-63.26	413.50	5.15	-58.11
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029172052	1	55	0.0	-62.56	412.46	5.13	-57.43
CC1=[NH+]C=C2CC(C(=O)N3CC4CC3(CNC(=O)C3=CC(=O)[N-]O3)C4)CCN21	REAL300029172054	1	51	0.0	-69.07	398.56	5.35	-63.72
C[NH+](C)CCC1=CC=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C=C1	REAL300029172056	0	55	0.0	-85.10	428.74	6.78	-78.32
CC1(C)CC[N@H+](CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029172058	0	52	0.0	-64.55	399.76	5.05	-59.50
CC1(C)CC[N@@H+](CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029172058	1	52	0.0	-65.29	399.20	5.11	-60.18
C[N@H+](CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300029172059	0	54	0.0	-65.53	402.12	5.25	-60.28
C[N@@H+](CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300029172059	1	54	0.0	-66.13	403.35	5.55	-60.58
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029172060	0	55	0.0	-67.03	432.35	7.42	-59.61
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029172060	1	55	0.0	-67.14	433.41	7.30	-59.84
CC[C@@H](C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029172072	0	48	0.0	-63.74	366.17	3.96	-59.78
CC(COCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCC1	REAL300029172080	0	56	0.0	-62.24	432.20	5.59	-56.65
CN(CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)C1=CC=[NH+]C=C1	REAL300029172253	0	51	0.0	-68.96	408.08	4.59	-64.37
CC1=[NH+]C=CN1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029172386	1	44	0.0	-58.46	362.65	4.59	-53.87
CC(C[NH+]1CCOCC1)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029172388	1	53	0.0	-68.79	405.55	3.56	-65.23
O=C(CCC[NH+]1CCCCC1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029172410	0	55	0.0	-66.97	418.64	6.14	-60.83
C[NH+](C)CC1=CC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=NO1	REAL300029172433	1	48	0.0	-72.96	389.43	4.01	-68.95
CC1=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C=CC2=C[NH+]=CN21	REAL300029172435	0	47	0.0	-72.28	385.91	6.69	-65.59
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029172489	1	50	0.0	-59.77	384.78	5.77	-54.00
O=C(NCC12CC(C1)CN2C(=O)C1CCCC2CCC[N@@H+]21)C1=CC(=O)[N-]O1	REAL300029172546	0	53	0.0	-60.33	400.07	5.68	-54.65
O=C(NCC12CC(C1)CN2C(=O)C1CCCC2CCC[N@H+]21)C1=CC(=O)[N-]O1	REAL300029172546	1	53	0.0	-58.68	393.80	5.43	-53.25
CC[N@@H+]1CCOC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029172584	1	50	0.0	-75.11	376.89	3.52	-71.59
CC[N@H+]1CCOC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029172584	1	50	0.0	-80.44	384.92	3.59	-76.85
O=C(NCC12CC(C1)CN2C(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC(=O)[N-]O1	REAL300029172669	0	44	0.0	-69.97	357.95	6.01	-63.96
CC1=C[NH+]=CN1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029172674	1	44	0.0	-63.94	362.98	5.32	-58.62
C[NH+](C)CCN1C=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C=N1	REAL300029172680	0	52	0.0	-75.20	412.31	4.10	-71.10
C[NH+](C)CCN1C=CC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300029172696	0	52	0.0	-88.80	415.91	4.56	-84.24
C[C@@H]1[C@H](C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029172703	0	49	0.0	-71.67	370.99	3.77	-67.90
C[C@@H]1[C@H](C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029172703	1	49	0.0	-69.21	374.95	4.42	-64.79
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029172706	1	53	0.0	-62.47	420.11	6.14	-56.33
CC[C@@H]1[C@@H](C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029172709	0	52	0.0	-71.67	386.73	4.41	-67.26
CC[C@@H]1[C@@H](C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029172709	1	52	0.0	-67.63	393.30	4.67	-62.96
CC1CCC(C)[NH+]1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029172734	0	52	0.0	-62.89	389.19	4.83	-58.06
O=C(CCC[NH+]1CCCC1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029172741	0	52	0.0	-66.05	403.44	5.47	-60.58
C[NH+](C)CC1=CC=CC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029172742	0	52	0.0	-69.72	406.20	5.93	-63.79
C#CC[NH+]1CCC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029172750	0	51	0.0	-73.32	404.52	5.52	-67.80
O=C(CC[NH+]1CCCCC1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029172751	0	52	0.0	-66.77	397.22	5.43	-61.34
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029172756	0	52	0.0	-62.49	406.52	5.79	-56.70
CC[N@@H+]1CCCCC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029172766	0	52	0.0	-63.92	380.91	4.58	-59.34
CC[N@H+]1CCCCC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029172766	1	52	0.0	-61.51	392.45	5.16	-56.35
CC(C)C(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCC1	REAL300029172767	0	58	0.0	-64.27	420.21	6.65	-57.62
C[NH+](C)C(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300029172770	1	52	0.0	-60.56	403.06	6.26	-54.30
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029172779	1	51	0.0	-66.89	405.87	6.92	-59.97
C[NH+](C)CC1(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CCCCC1	REAL300029172828	0	58	0.0	-71.52	408.92	5.84	-65.68
C[NH+](C)CCC1=CC=CC=C1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029172829	0	55	0.0	-54.95	425.22	6.55	-48.40
C[N@H+](CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)C1CCCCC1	REAL300029172835	0	58	0.0	-70.42	431.63	6.60	-63.82
C[N@@H+](CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)C1CCCCC1	REAL300029172835	1	58	0.0	-70.39	432.62	6.47	-63.92
C[NH+](C)C1(CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300029172838	0	55	0.0	-74.59	397.13	5.40	-69.19
C[N@H+](CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300029173100	0	49	0.0	-62.23	380.37	4.84	-57.39
C[N@@H+](CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300029173100	1	49	0.0	-63.21	379.36	4.97	-58.24
CC(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1C(C)CCC1C	REAL300029173137	0	55	0.0	-63.46	391.27	4.69	-58.77
O=C(CCCC[NH+]1CCCC1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029173157	0	55	0.0	-68.44	424.55	6.31	-62.13
C[N@H+](CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300029173160	1	52	0.0	-70.48	410.93	6.45	-64.03
C[N@@H+](CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300029173160	1	52	0.0	-70.99	409.93	6.58	-64.41
C[NH+]1CCC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029173178	0	49	0.0	-70.94	379.35	4.34	-66.60
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029173255	0	46	0.0	-63.18	351.02	3.45	-59.73
C[N@H+]1CCC[C@@H]1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029173255	1	46	0.0	-61.47	354.86	3.76	-57.71
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029173281	1	48	0.0	-63.50	380.50	4.41	-59.09
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029173281	1	48	0.0	-64.14	383.38	4.99	-59.15
C[N@@H+]1CCCC1CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029173291	0	52	0.0	-63.95	395.49	4.96	-58.99
C[N@H+]1CCCC1CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029173291	1	52	0.0	-63.89	396.13	4.89	-59.00
O=C(NCC12CC(C1)CN2C(=O)C12CCC[NH+](CCC1)C2)C1=CC(=O)[N-]O1	REAL300029173305	0	53	0.0	-66.09	381.94	4.50	-61.59
O=C(NCC12CC(C1)CN2C(=O)C1CCC2CCCC[N@@H+]21)C1=CC(=O)[N-]O1	REAL300029173313	0	53	0.0	-62.56	400.20	5.50	-57.06
O=C(NCC12CC(C1)CN2C(=O)C1CCC2CCCC[N@H+]21)C1=CC(=O)[N-]O1	REAL300029173313	1	53	0.0	-64.68	392.75	5.42	-59.26
CCC[N@@H+]1CCCC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029173419	0	55	0.0	-69.75	407.06	5.67	-64.08
CCC[N@H+]1CCCC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029173419	1	55	0.0	-67.08	418.14	5.80	-61.28
CC(C)[N@@H+]1CCOC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029173443	1	53	0.0	-66.33	394.68	3.92	-62.41
CC(C)[N@H+]1CCOC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029173443	1	53	0.0	-72.70	394.87	3.88	-68.82
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029173464	0	56	0.0	-66.40	407.22	2.67	-63.73
C[N@@H+]1CCCCC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029173485	0	49	0.0	-61.97	362.16	4.10	-57.87
C[N@H+]1CCCCC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029173485	1	49	0.0	-60.84	374.83	4.52	-56.32
CC(C)C[N@@H+]1CCCC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029173520	0	55	0.0	-63.53	415.32	5.97	-57.56
CC(C)C[N@H+]1CCCC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029173520	1	55	0.0	-63.70	416.04	5.80	-57.90
O=C(C[NH+]1CCC(CO)CC1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029173541	0	53	0.0	-72.06	407.57	2.08	-69.98
C[NH+]1C2CCC1CC(=CC(=O)N1CC3CC1(CNC(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029173583	0	54	0.0	-62.73	407.29	5.69	-57.04
CC1C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029173605	0	49	0.0	-63.86	372.82	3.83	-60.03
CC1C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029173605	1	49	0.0	-67.19	369.66	4.27	-62.92
C[N@@H+]1CCCCC1CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029173609	0	55	0.0	-71.38	407.70	5.68	-65.70
C[N@H+]1CCCCC1CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029173609	1	55	0.0	-71.47	408.19	5.60	-65.87
NC1=[NH+]C2=C(C=C1C(=O)N1CC3CC1(CNC(=O)C1=CC(=O)[N-]O1)C3)CCC2	REAL300029173654	1	49	0.0	-57.00	386.07	3.57	-53.43
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029173746	0	52	0.0	-65.73	395.68	4.54	-61.19
CC(C)(C)[N@H+]1CCC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029173746	1	52	0.0	-63.16	395.85	4.56	-58.60
O=C(NCC12CC(C1)CN2C(=O)C1CCN(C2=CC=[NH+]C=C2)C1)C1=CC(=O)[N-]O1	REAL300029173766	0	52	0.0	-70.71	406.53	3.09	-67.62
C[C@@H](C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029173771	0	45	0.0	-63.20	348.19	3.25	-59.95
C[NH+](C)CC1=CC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=CC=N1	REAL300029173793	1	51	0.0	-63.67	402.73	4.05	-59.62
C=CCC(C)(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029173799	0	52	0.0	-73.97	377.63	4.91	-69.06
CC[NH+](CC)CCSCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029173833	0	55	0.0	-73.02	436.21	6.25	-66.77
NC1=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C=[NH+]C2=CC=CC=C21	REAL300029173834	1	48	0.0	-65.57	384.98	2.98	-62.59
O=C(CC[NH+]1CCCC1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029173839	0	49	0.0	-67.42	380.34	4.57	-62.85
C[N@H+](CCO)CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029173849	1	46	0.0	-67.01	362.36	0.29	-66.72
C[N@@H+](CCO)CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029173849	1	46	0.0	-65.47	361.08	0.42	-65.05
O=C(NCC12CC(C1)CN2C(=O)C1C[N@@H+]2CCN1CCC2)C1=CC(=O)[N-]O1	REAL300029173895	0	52	0.0	-79.54	382.64	2.08	-77.46
O=C(NCC12CC(C1)CN2C(=O)C1C[N@H+]2CCN1CCC2)C1=CC(=O)[N-]O1	REAL300029173895	1	52	0.0	-84.96	377.70	2.24	-82.72
CC(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCSCC1	REAL300029173932	1	50	0.0	-67.27	392.48	4.85	-62.42
C[N@H+]1CC=C(CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029173987	0	50	0.0	-60.50	392.33	5.34	-55.16
C[N@@H+]1CC=C(CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029173987	1	50	0.0	-57.96	393.96	5.14	-52.82
C[S+](C)CCC(O)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029174007	0	48	0.0	-81.31	393.43	2.27	-79.04
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029174035	0	50	0.0	-80.35	373.20	0.61	-79.74
C[N@H+]1CC(O)CC1(C)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029174035	1	50	0.0	-59.41	375.47	0.51	-58.90
CN1CC[N@H+](C)CC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029174053	0	54	0.0	-63.40	402.00	2.73	-60.67
CN1CC[N@@H+](C)CC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029174053	1	54	0.0	-63.25	398.85	2.19	-61.06
CC(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[N@@H+]1CCCC(O)C1	REAL300029174054	0	53	0.0	-66.23	405.08	1.70	-64.53
CC(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[N@H+]1CCCC(O)C1	REAL300029174054	1	53	0.0	-61.70	404.08	1.76	-59.94
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029174091	0	49	0.0	-68.85	394.43	3.76	-65.09
C[N@@H+]1CCCC(O)(CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029174099	0	53	0.0	-66.37	401.21	3.29	-63.08
C[N@H+]1CCCC(O)(CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029174099	1	53	0.0	-67.30	391.95	2.99	-64.31
CC1C[NH+](CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029174106	1	46	0.0	-66.02	366.07	3.87	-62.15
CC[N@@H+]1CCCC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029174114	0	52	0.0	-69.29	388.39	5.21	-64.08
CC[N@H+]1CCCC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029174114	1	52	0.0	-73.44	386.39	4.95	-68.49
NC1=[NH+]C=CC=C1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029174128	0	45	0.0	-55.44	367.85	2.74	-52.70
O=C(NCC12CC(C1)CN2C(=O)C1CCC[N@@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300029174144	0	50	0.0	-67.38	384.34	4.81	-62.57
O=C(NCC12CC(C1)CN2C(=O)C1CCC[N@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300029174144	1	50	0.0	-67.31	377.65	4.53	-62.78
O=C(C=CC[NH+]1CCCC1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029174207	0	50	0.0	-70.55	394.95	5.38	-65.17
O=C(NCC12CC(C1)CN2C(=O)C1CC[NH+](C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300029174239	0	53	0.0	-70.05	407.54	5.90	-64.15
CC[N@H+](C)CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029174297	0	45	0.0	-64.92	352.00	3.52	-61.40
O=C(CN1CC2C=CC1C2)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029174376	0	48	0.0	-60.27	373.35	4.71	-55.56
O=C(C[N@@H+]1CC2C=CC1C2)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029174376	1	48	0.0	-64.99	373.00	4.90	-60.09
O=C(C[N@H+]1CC2C=CC1C2)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029174376	1	48	0.0	-64.99	373.00	4.90	-60.09
CC1=CC=C(NCCC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)N=C1	REAL300029174401	0	51	0.0	-64.21	412.08	4.40	-59.81
CC1=CC=C(NCCC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)[NH+]=C1	REAL300029174401	1	51	0.0	-64.21	412.08	4.40	-59.81
O=C(NCC12CC(C1)CN2C(=O)C12CCC[N@@H+]1CCCC2)C1=CC(=O)[N-]O1	REAL300029174546	0	53	0.0	-61.94	383.85	4.89	-57.05
O=C(NCC12CC(C1)CN2C(=O)C12CCC[N@H+]1CCCC2)C1=CC(=O)[N-]O1	REAL300029174546	1	53	0.0	-61.94	383.85	4.89	-57.05
O=C(NCC12CC(C1)CN2C(=O)C12CCC[N@@H+]1CC=CC2)C1=CC(=O)[N-]O1	REAL300029174558	0	51	0.0	-59.69	378.25	4.52	-55.17
O=C(NCC12CC(C1)CN2C(=O)C12CCC[N@H+]1CC=CC2)C1=CC(=O)[N-]O1	REAL300029174558	1	51	0.0	-59.69	378.25	4.52	-55.17
CC(OCC[NH+](C)C)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029174572	0	52	0.0	-56.99	404.04	4.38	-52.61
C[NH+](C)CCOCCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029174585	0	52	0.0	-70.17	410.03	3.81	-66.36
COCCN(C)CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029174587	0	49	0.0	-64.86	383.33	2.82	-62.04
COCC[N@H+](C)CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029174587	1	49	0.0	-67.79	384.61	2.68	-65.11
COCC[N@@H+](C)CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029174587	1	49	0.0	-67.79	384.61	2.68	-65.11
CC(CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029174594	0	51	0.0	-64.35	390.96	4.69	-59.66
CC[N@H+](CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029174637	0	49	0.0	-64.17	374.66	4.90	-59.27
CC1C[N@@H+]2CCN1C(C(=O)N1CC3CC1(CNC(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029174657	0	52	0.0	-75.53	383.33	1.70	-73.83
C[N@@H+]1CC2CC1(C(=O)N1CC3CC1(CNC(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029174696	0	47	0.0	-72.19	363.11	3.88	-68.31
CC1=NC(N)=CC=C1C=CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029174708	0	49	0.0	-69.21	398.59	3.52	-65.69
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029174708	1	49	0.0	-69.21	398.59	3.52	-65.69
O=C(C[N@@H+]1CC2CCC1C2)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029174717	0	50	0.0	-63.26	378.09	4.80	-58.46
O=C(C[N@H+]1CC2CCC1C2)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029174717	1	50	0.0	-63.26	378.09	4.80	-58.46
CC(C)[NH+]1CCC(CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029174735	0	58	0.0	-62.68	431.65	6.50	-56.18
CC(C[NH+](C)C)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029174751	0	48	0.0	-69.41	372.68	4.07	-65.34
CCN1CCC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029174819	0	46	0.0	-65.40	354.20	3.49	-61.91
CC[N@@H+]1CCC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029174819	1	46	0.0	-63.81	358.50	3.40	-60.41
CC[N@H+]1CCC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029174819	1	46	0.0	-63.81	358.50	3.40	-60.41
CC(C)[N@@H+]1CCCC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029174837	0	55	0.0	-65.12	405.83	5.60	-59.52
CC(C)[N@H+]1CCCC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029174837	1	55	0.0	-65.12	405.83	5.60	-59.52
CCC(C)(C)[NH2+]C(C)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029174865	0	54	0.0	-61.42	397.94	3.40	-58.02
C#CC[N@H+]1CCCCC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029174925	1	51	0.0	-61.63	399.21	5.63	-56.00
C#CC[N@@H+]1CCCCC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029174925	1	51	0.0	-65.50	388.42	5.13	-60.37
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029174929	1	48	0.0	-60.59	381.73	3.43	-57.16
NC1=CC=[NH+]C=C1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029174930	0	42	0.0	-70.32	341.77	0.86	-69.46
C[NH+](C)C(CC1=CC=CC=C1)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029174936	0	55	0.0	-68.72	420.25	6.72	-62.00
CCCC(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029174943	0	51	0.0	-66.80	386.23	4.83	-61.97
C[NH+](C)C(C)(C)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029174951	0	48	0.0	-72.67	352.80	3.99	-68.68
CC(CC[NH+](C)C)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029174978	0	51	0.0	-65.65	394.64	4.68	-60.97
O=C(NCC12CC(C1)CN2C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1=CC(=O)[N-]O1	REAL300029175047	0	56	0.0	-79.36	405.96	5.56	-73.80
O=C(NCC12CC(C1)CN2C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1=CC(=O)[N-]O1	REAL300029175047	1	56	0.0	-55.17	405.46	6.04	-49.13
O=C(NCC12CC(C1)CN2C(=O)C12CC(C1)C[N@@H+]2C1CC1)C1=CC(=O)[N-]O1	REAL300029175088	0	51	0.0	-62.84	385.50	4.96	-57.88
O=C(NCC12CC(C1)CN2C(=O)C12CC(C1)C[N@H+]2C1CC1)C1=CC(=O)[N-]O1	REAL300029175088	1	51	0.0	-72.44	377.57	5.78	-66.66
COCCCC[N@H+](C)CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029175140	0	58	0.0	-72.47	449.99	4.82	-67.65
COCCCC[N@@H+](C)CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029175140	1	58	0.0	-72.67	450.97	4.68	-67.99
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029175152	0	52	0.0	-62.47	391.80	4.53	-57.94
C[N@H+]1CC(C)(C)CC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029175152	1	52	0.0	-62.40	397.34	4.76	-57.64
C[NH+](C)CCCCCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029175158	0	54	0.0	-69.64	420.08	5.92	-63.72
O=C(CC[NH+]1CCC(O)CC1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029175164	0	53	0.0	-68.96	408.72	2.02	-66.94
CCC[N@@H+]1CCCCC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029175170	0	55	0.0	-63.51	414.17	5.85	-57.66
CCC[N@H+]1CCCCC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029175170	1	55	0.0	-64.41	401.32	5.44	-58.97
CC[NH+]1CCN(CCC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029175181	0	57	0.0	-70.65	432.88	3.53	-67.12
CCN1CC[NH+](CCC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029175181	1	57	0.0	-68.37	432.22	3.60	-64.77
C[NH+]1CCN(CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029175185	1	51	0.0	-65.77	392.62	2.43	-63.34
CC(C)C[NH+]1CCC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029175328	0	58	0.0	-71.07	435.95	6.39	-64.68
CC1C[N@H+](C)CC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029175331	1	50	0.0	-84.16	380.61	3.36	-80.80
CC1C[N@@H+](C)CC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029175331	1	50	0.0	-77.70	380.31	3.62	-74.08
CCC1CCC[N@H+](CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029175373	0	55	0.0	-67.72	408.76	5.85	-61.87
CCC1CCC[N@@H+](CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029175373	1	55	0.0	-66.07	414.94	5.99	-60.08
C[NH+](C)CC1=CC=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300029175384	0	50	0.0	-88.17	397.02	3.97	-84.20
O=C(C[NH+]1CC2CC2C1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029175409	0	47	0.0	-66.00	369.61	4.72	-61.28
O=C(CC1([NH+]2CCCC2)CC1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029175432	0	53	0.0	-63.56	399.26	5.67	-57.89
CC([NH2+]C1(CO)CCCC1)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029175455	0	56	0.0	-64.16	416.01	0.73	-63.43
C[N@@H+]1CCCCC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029175492	0	49	0.0	-61.97	362.16	4.10	-57.87
C[N@H+]1CCCCC1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029175492	1	49	0.0	-60.84	374.83	4.52	-56.32
O=C(NCC12CC(C1)CN2C(=O)C1CC[N@@H+]1CC1=CC=CC=C1)C1=CC(=O)[N-]O1	REAL300029175500	1	53	0.0	-65.23	417.65	6.64	-58.59
O=C(NCC12CC(C1)CN2C(=O)C1CC[N@H+]1CC1=CC=CC=C1)C1=CC(=O)[N-]O1	REAL300029175500	1	53	0.0	-65.86	413.21	6.58	-59.28
CC(C)C[N@@H+]1CCCC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029175507	0	58	0.0	-68.26	435.65	6.49	-61.77
CC(C)C[N@H+]1CCCC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029175507	1	58	0.0	-65.26	429.62	6.43	-58.83
C[NH+](C)C1CCN(CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029175582	0	57	0.0	-65.07	426.56	3.68	-61.39
C[N@@H+]1CCC(=CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029175664	0	47	0.0	-68.57	372.49	4.38	-64.19
C[N@H+]1CCC(=CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029175664	1	47	0.0	-68.80	371.09	4.49	-64.31
O=C(CNC1=CC=[NH+]C=C1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029175672	0	45	0.0	-68.86	368.93	2.25	-66.61
CC[NH+]1CCN(CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029175745	0	54	0.0	-64.82	409.87	3.07	-61.75
O=C(C=C1C[NH+]2CCC1CC2)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029175748	0	51	0.0	-55.73	389.95	5.31	-50.42
C[NH+](C)C1(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300029175804	0	52	0.0	-71.07	373.32	4.50	-66.57
C[N@H+](CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300029175821	0	53	0.0	-60.30	404.18	2.21	-58.09
C[N@@H+](CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300029175821	1	53	0.0	-62.97	405.10	2.07	-60.90
CCC1C[NH+](CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029175829	0	49	0.0	-66.52	387.25	4.59	-61.93
O=C(NCC12CC(C1)CN2C(=O)C1C[NH+](C2CCOCC2)C1)C1=CC(=O)[N-]O1	REAL300029175833	0	54	0.0	-73.30	417.67	3.87	-69.43
O=C(NCC12CC(C1)CN2C(=O)C1([NH+]2CCCC2)CCC1)C1=CC(=O)[N-]O1	REAL300029175836	0	53	0.0	-71.95	389.20	5.06	-66.89
C[N@@H+]1CCC[C@H]1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029175853	0	46	0.0	-62.42	356.67	3.83	-58.59
C[N@H+]1CCC[C@H]1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029175853	1	46	0.0	-63.43	353.00	3.30	-60.13
CCN1CCOCC1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029175895	0	53	0.0	-67.36	399.79	3.03	-64.33
CC[N@@H+]1CCOCC1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029175895	1	53	0.0	-71.85	403.83	3.18	-68.67
CC[N@H+]1CCOCC1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029175895	1	53	0.0	-71.85	403.83	3.18	-68.67
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)NC2=C1CCC[NH2+]2)C1=CC(=O)[N-]O1	REAL300029175904	0	50	0.0	-83.22	401.26	2.35	-80.87
O=C(NCC12CC(C1)CN2C(=O)C1C[NH+](C2CCCCC2)C1)C1=CC(=O)[N-]O1	REAL300029175924	0	56	0.0	-71.58	426.47	6.23	-65.35
COC1C[N@@H+]2CCCC2(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029175946	0	54	0.0	-58.33	404.99	3.29	-55.04
COC1C[N@H+]2CCCC2(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029175946	1	54	0.0	-58.33	404.99	3.29	-55.04
NC1=NC2=CC(C(=O)N3CC4CC3(CNC(=O)C3=CC(=O)[N-]O3)C4)=CC=C2N1	REAL300029176023	0	46	0.0	-77.06	372.25	3.70	-73.36
NC1=[NH+]C2=CC(C(=O)N3CC4CC3(CNC(=O)C3=CC(=O)[N-]O3)C4)=CC=C2N1	REAL300029176023	1	46	0.0	-77.06	372.25	3.70	-73.36
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029176079	0	49	0.0	-65.13	383.30	4.67	-60.46
C[NH+](C)CCC1(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300029176092	0	58	0.0	-73.07	425.73	5.92	-67.15
CC1CCCC(C)[NH+]1CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029176094	0	58	0.0	-63.39	427.23	6.13	-57.26
C[NH+](C)C1CCC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029176097	0	55	0.0	-49.32	397.95	5.51	-43.81
C[NH+](C)CCC1(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029176098	0	52	0.0	-60.10	400.82	5.52	-54.58
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029176103	0	55	0.0	-52.54	401.45	5.37	-47.17
C[N@@H+]1CC=CCC1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029176104	0	50	0.0	-74.34	386.01	4.86	-69.48
C[N@H+]1CC=CCC1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029176104	1	50	0.0	-53.89	379.94	4.94	-48.95
CC1=CC(C=CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=C[NH+]=C1N	REAL300029176177	1	49	0.0	-74.17	398.75	3.86	-70.31
C[NH+](C)CCOCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029176194	0	49	0.0	-61.62	389.09	3.92	-57.70
CCCCC[N@H+](C)CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029176201	0	57	0.0	-69.23	437.81	6.53	-62.70
CCCCC[N@@H+](C)CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029176201	1	57	0.0	-69.44	438.79	6.39	-63.05
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029176216	0	53	0.0	-66.26	410.55	4.60	-61.66
[NH2+]=C1SC=CN1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029176251	0	42	0.0	-58.39	360.29	3.17	-55.22
C[C@@H](OCC[NH+](C)C)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029176354	0	52	0.0	-65.06	405.63	4.21	-60.85
O=C(CC[NH+]1CCCCCC1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029176437	0	55	0.0	-68.66	408.23	5.51	-63.15
O=C(C[NH+]1CCCCC1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029176442	0	49	0.0	-66.87	375.72	4.80	-62.07
C[N@@H+]1CCCC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029176444	0	49	0.0	-71.05	379.61	4.34	-66.71
C[N@H+]1CCCC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029176444	1	49	0.0	-73.70	368.64	4.33	-69.37
O=C(C[NH+]1CCC(CO)CC1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029176446	0	53	0.0	-72.06	407.57	2.08	-69.98
O=C(C[NH+]1CCCCCC1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029176452	0	52	0.0	-63.53	384.58	4.98	-58.55
CN1C=C[N+](CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029176459	0	44	0.0	-59.26	364.84	6.45	-52.81
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029176480	0	58	0.0	-69.41	408.29	4.99	-64.42
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029176480	1	58	0.0	-85.66	409.92	5.05	-80.61
C[NH+](C)CC1=CC=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029176486	1	49	0.0	-81.96	395.11	4.61	-77.35
C[NH+](C)CC1=CC=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C=N1	REAL300029176495	0	51	0.0	-83.14	402.27	4.12	-79.02
O=C(C[NH+]1CCC(O)CC1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029176516	0	50	0.0	-70.44	386.97	1.43	-69.01
C[N@H+](CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029176523	0	46	0.0	-61.25	362.48	4.40	-56.85
C[N@@H+](CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029176523	1	46	0.0	-62.39	363.61	4.27	-58.12
CC(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)N1CC[NH+](C)CC1	REAL300029176525	1	54	0.0	-63.60	400.54	2.42	-61.18
O=C(CC[N@H+]1CCC(F)C1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029176531	0	49	0.0	-68.81	388.54	4.71	-64.10
O=C(CC[N@@H+]1CCC(F)C1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029176531	1	49	0.0	-73.05	388.36	4.75	-68.30
COC1C[N@H+](C)C(C)(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029176548	0	53	0.0	-63.18	397.97	2.50	-60.68
COC1C[N@@H+](C)C(C)(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029176548	1	53	0.0	-71.49	393.83	2.97	-68.52
C[NH+](C)CCC1=CC=CC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029176570	0	55	0.0	-71.35	428.74	6.77	-64.58
CC(CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300029176576	0	51	0.0	-66.89	390.24	5.02	-61.87
O=C(NCC12CC(C1)CN2C(=O)C1CC[N@@H+]2CCOCC12)C1=CC(=O)[N-]O1	REAL300029176599	0	51	0.0	-75.56	391.60	2.94	-72.62
O=C(NCC12CC(C1)CN2C(=O)C1CC[N@H+]2CCOCC12)C1=CC(=O)[N-]O1	REAL300029176599	1	51	0.0	-75.73	389.90	3.10	-72.63
CC1=[NH+]C=C2C=CC(C(=O)N3CC4CC3(CNC(=O)C3=CC(=O)[N-]O3)C4)=CN21	REAL300029176608	0	47	0.0	-67.64	379.37	5.79	-61.85
C[N@@H+]1CCOCC1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029176632	1	50	0.0	-56.00	377.92	2.46	-53.54
C[N@H+]1CCOCC1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029176632	1	50	0.0	-77.62	384.37	2.76	-74.86
C[NH+](C)CC(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300029176642	0	55	0.0	-81.59	429.06	6.87	-74.72
CC[NH+]1CCN(CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029176648	0	54	0.0	-64.82	409.87	3.07	-61.75
CC1=CC(N)=[NH+]C=C1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029176722	1	45	0.0	-71.49	362.57	2.14	-69.35
NC1=CC=C(CCC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C=[NH+]1	REAL300029176725	0	48	0.0	-68.91	393.22	3.38	-65.53
CC1(O)CC[N@H+](CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029176793	0	50	0.0	-63.70	389.82	1.37	-62.33
CC1(O)CC[N@@H+](CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029176793	1	50	0.0	-67.13	389.71	1.41	-65.72
C[NH+](C)CCN1N=CC=C1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029176804	0	52	0.0	-44.54	404.56	4.37	-40.17
C[NH+]1CC(CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029176844	0	46	0.0	-67.12	364.66	3.82	-63.30
O=C(NCC12CC(C1)CN2C(=O)C1CC[N@@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300029176850	0	53	0.0	-68.11	398.62	5.25	-62.86
O=C(NCC12CC(C1)CN2C(=O)C1CC[N@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300029176850	1	53	0.0	-67.52	403.84	5.76	-61.76
C[NH+](C)CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029176860	0	42	0.0	-64.84	333.60	2.93	-61.91
C[N@H+](CCO)CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029176907	0	49	0.0	-68.15	384.65	0.87	-67.28
C[N@@H+](CCO)CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029176907	1	49	0.0	-66.62	383.65	0.98	-65.64
C[C@@H](C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029176908	0	45	0.0	-63.20	348.19	3.25	-59.95
C[N@@H+]1CCCCC1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029176936	0	52	0.0	-53.69	386.55	4.84	-48.85
C[N@H+]1CCCCC1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029176936	1	52	0.0	-73.30	392.98	5.13	-68.17
CC1=C2C=C(C(=O)N3CC4CC3(CNC(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300029176970	1	47	0.0	-76.89	380.17	6.59	-70.30
CC(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CC(C)C1	REAL300029176971	0	49	0.0	-64.76	380.90	4.40	-60.36
CC1CC[N@@H+]1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029176977	1	46	0.0	-62.87	359.41	3.74	-59.13
CC1CC[N@H+]1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029176977	1	46	0.0	-64.26	366.56	3.76	-60.50
C[NH+](C)CC=CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029176998	0	46	0.0	-71.99	368.61	4.17	-67.82
CC1(C)C[NH+](CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029177014	1	49	0.0	-67.04	383.62	4.56	-62.48
O=C(CCCC[NH+]1CCCCC1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029177028	0	58	0.0	-68.15	440.61	6.95	-61.20
CC1=C(C)[NH+]=C(CCC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300029177043	1	50	0.0	-61.78	404.39	4.21	-57.57
C[NH+]1CCC(C2(C(=O)N3CC4CC3(CNC(=O)C3=CC(=O)[N-]O3)C4)CC2)CC1	REAL300029177057	0	56	0.0	-73.60	421.80	5.88	-67.72
CC1=C2C=C(C(=O)N3CC4CC3(CNC(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300029177067	1	47	0.0	-76.89	380.17	6.59	-70.30
C[NH+](C)CCSCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029177080	0	49	0.0	-75.40	400.11	4.94	-70.46
CC(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[N@H+](C)CC1=CC=CC=C1	REAL300029177101	0	55	0.0	-70.75	428.20	6.75	-64.00
CC(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[N@@H+](C)CC1=CC=CC=C1	REAL300029177101	1	55	0.0	-69.47	427.47	6.89	-62.58
NC1=[NH+]C2=C(C=C1C(=O)N1CC3CC1(CNC(=O)C1=CC(=O)[N-]O1)C3)CCCC2	REAL300029177105	1	52	0.0	-58.09	403.77	4.30	-53.79
O=C(C[N@H+]1CCCC1CO)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029177113	0	50	0.0	-64.16	383.58	0.96	-63.20
O=C(C[N@@H+]1CCCC1CO)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029177113	1	50	0.0	-66.84	387.67	1.35	-65.49
CC[NH+](CC)CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029177116	0	48	0.0	-64.06	365.20	4.01	-60.05
C[N@H+](CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300029177129	0	50	0.0	-71.57	393.70	5.08	-66.49
C[N@@H+](CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300029177129	1	50	0.0	-67.18	393.44	5.10	-62.08
O=C(C[NH+]1CCC1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029177131	1	43	0.0	-65.42	343.60	3.44	-61.98
CC[NH+](CC)CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029177197	0	51	0.0	-67.21	391.55	4.86	-62.35
NC(=O)C1CC[NH+](CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029177223	0	53	0.0	-84.20	410.87	1.52	-82.68
C[NH+](C)CC1=CNC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029177282	0	50	0.0	-73.94	395.94	4.20	-69.74
CC(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC(O)CC1	REAL300029177308	0	53	0.0	-68.57	397.86	1.46	-67.11
O=C(NCC12CC(C1)CN2C(=O)C1CC2COCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300029177316	0	51	0.0	-69.19	389.39	3.07	-66.12
O=C(NCC12CC(C1)CN2C(=O)C1CC2COCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300029177316	1	51	0.0	-68.47	389.27	3.11	-65.36
CC(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300029177338	0	46	0.0	-64.81	362.98	3.84	-60.97
CCC(CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300029177350	0	54	0.0	-78.19	408.44	5.56	-72.63
NC1=CC=C(C=CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C=[NH+]1	REAL300029177359	0	46	0.0	-75.18	380.99	3.07	-72.11
C[NH+](C)CC(C)(C)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029177360	0	51	0.0	-66.04	374.66	4.12	-61.92
C[NH+](C)C(CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300029177405	0	55	0.0	-75.49	424.94	6.71	-68.78
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029177443	0	49	0.0	-64.65	363.21	3.91	-60.74
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029177443	1	49	0.0	-63.98	375.88	4.39	-59.59
CC1CN2CC[N@@H+]1CC2C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029177460	0	52	0.0	-78.94	384.14	1.50	-77.44
CC1CN2CC[N@H+]1CC2C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029177460	1	52	0.0	-79.75	381.12	1.60	-78.15
C[NH+](C)CC(O)CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029177493	0	49	0.0	-71.85	385.69	1.93	-69.92
C[NH+]1C2CCC1CC(C(=O)N1CC3CC1(CNC(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029177496	0	53	0.0	-71.61	366.41	4.67	-66.94
C=CCC(C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029177550	0	49	0.0	-62.24	375.18	4.38	-57.86
O=C(NCC12CC(C1)CN2C(=O)C1CC2CCCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300029177565	0	53	0.0	-65.43	398.46	5.50	-59.93
O=C(NCC12CC(C1)CN2C(=O)C1CC2CCCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300029177565	1	53	0.0	-74.41	399.78	5.22	-69.19
C[NH+]1CCC(C)(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029177582	0	52	0.0	-60.49	378.21	4.42	-56.07
C[NH+]1CCC(O)(CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029177588	0	53	0.0	-58.71	401.26	3.22	-55.49
COCC[N@@H+]1CCCC1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029177604	0	56	0.0	-67.23	425.01	4.00	-63.23
COCC[N@H+]1CCCC1CC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029177604	1	56	0.0	-69.67	426.11	3.89	-65.78
C[NH+]1C2CCC1CC(CC(=O)N1CC3CC1(CNC(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029177619	0	56	0.0	-73.08	399.28	5.40	-67.68
C[NH+](C)CCN1N=CC=C1C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029177664	0	52	0.0	-62.84	413.49	4.03	-58.81
C[NH+]1CCC(C2(C(=O)NCC34CC(C3)CN4C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029177713	0	56	0.0	-66.38	415.32	6.41	-59.97
CC1=C2C=C(C(=O)NCC34CC(C3)CN4C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029177725	1	47	0.0	-63.25	383.86	6.95	-56.30
C[NH+](C)CCSCC(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029177737	0	49	0.0	-70.05	400.45	4.51	-65.54
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CC2COCC[N@@H+]2C1	REAL300029177749	0	51	0.0	-57.09	388.05	3.17	-53.92
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1CC2COCC[N@H+]2C1	REAL300029177749	1	51	0.0	-58.39	390.83	3.02	-55.37
C[N@@H+]1CCCC1C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029177914	0	54	0.0	-60.14	383.11	4.45	-55.69
C[N@H+]1CCCC1C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029177914	1	54	0.0	-54.04	388.52	5.04	-49.00
C[N@@H+]1CCOC(C(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)C1	REAL300029177938	1	55	0.0	-75.26	400.76	4.24	-71.02
C[N@H+]1CCOC(C(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)C1	REAL300029177938	1	55	0.0	-77.79	390.45	4.06	-73.73
CC(C)[N@@H+]1CCCC1C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029178088	0	60	0.0	-60.34	416.43	6.11	-54.23
CC(C)[N@H+]1CCCC1C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029178088	1	60	0.0	-57.59	416.05	6.16	-51.43
CC1=[NH+]C=CN1CC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029178118	1	52	0.0	-54.05	392.63	5.59	-48.46
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1C[NH+]2CCC1CC2	REAL300029178140	0	58	0.0	-56.70	402.10	5.58	-51.12
C[C@@H]1[C@H](C(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)CC[N@@H+]1C	REAL300029178173	0	57	0.0	-59.77	397.00	4.89	-54.88
C[C@@H]1[C@H](C(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)CC[N@H+]1C	REAL300029178173	1	57	0.0	-63.88	404.91	5.50	-58.38
CC[C@@H]1[C@@H](C(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)CC[N@@H+]1C	REAL300029178175	0	60	0.0	-63.90	420.50	5.67	-58.23
CC[C@@H]1[C@@H](C(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)CC[N@H+]1C	REAL300029178175	1	60	0.0	-56.17	422.57	6.00	-50.17
CC[N@@H+]1CCOC(C(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)C1	REAL300029178181	1	58	0.0	-78.30	408.13	4.72	-73.58
CC[N@H+]1CCOC(C(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)C1	REAL300029178181	1	58	0.0	-47.44	408.89	4.83	-42.61
CC[NH+](CC)CC(F)C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029178207	0	59	0.0	-65.55	422.48	5.55	-60.00
CC1CCC(C)[NH+]1CC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029178240	0	60	0.0	-55.55	420.76	5.84	-49.71
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CCC[NH+]1CCCC1	REAL300029178243	0	60	0.0	-63.85	433.19	6.32	-57.53
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC[NH+]1CCCCC1	REAL300029178246	0	60	0.0	-61.26	426.91	6.19	-55.07
CC[N@@H+]1CCCCC1C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029178249	0	60	0.0	-58.00	423.26	6.10	-51.90
CC[N@H+]1CCCCC1C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029178249	1	60	0.0	-51.92	413.90	5.97	-45.95
C[NH+](C)C1(C(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)CCC1	REAL300029178259	0	57	0.0	-80.05	392.67	5.65	-74.40
CC(C)[C@@H](C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C)[NH+](C)C	REAL300029178265	0	59	0.0	-54.29	411.42	6.18	-48.11
C[N@H+](CC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C)C1CCC1	REAL300029178289	0	57	0.0	-53.42	409.29	5.96	-47.46
C[N@@H+](CC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C)C1CCC1	REAL300029178289	1	57	0.0	-54.77	409.43	5.97	-48.80
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029178354	1	56	0.0	-50.32	409.62	5.79	-44.53
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029178354	1	56	0.0	-55.31	416.02	6.26	-49.05
C[N@@H+]1CCCC1CCC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029178359	0	60	0.0	-60.68	426.94	6.11	-54.57
C[N@H+]1CCCC1CCC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029178359	1	60	0.0	-62.28	424.84	5.79	-56.49
C[NH+]1CCC(C(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)CC1	REAL300029178375	0	57	0.0	-60.41	407.76	5.63	-54.78
C[N@@H+]1CCCCC1C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029178409	0	57	0.0	-57.60	394.72	5.35	-52.25
C[N@H+]1CCCCC1C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029178409	1	57	0.0	-60.16	392.41	5.17	-54.99
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300029178470	0	52	0.0	-65.83	393.53	7.31	-58.52
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC[NH+]1CCOCC1	REAL300029178476	1	58	0.0	-63.50	418.63	3.80	-59.70
CC1=C[NH+]=CN1CC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029178489	1	52	0.0	-57.22	392.09	6.08	-51.14
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C12CCC[NH+]1CCC2	REAL300029178508	0	58	0.0	-64.66	407.94	5.79	-58.87
C[N@@H+]1CCC(CC(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)C1	REAL300029178517	0	57	0.0	-66.67	410.45	5.37	-61.30
C[N@H+]1CCC(CC(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)C1	REAL300029178517	1	57	0.0	-67.67	409.91	5.38	-62.29
CCC(C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C)[NH+](C)C	REAL300029178524	0	56	0.0	-57.77	392.60	4.92	-52.85
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300029178551	1	52	0.0	-70.29	393.80	7.31	-62.98
C[NH+](C)CCCCC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029178579	0	59	0.0	-67.73	428.73	5.93	-61.80
CC(C)C(C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C)[NH+](C)C	REAL300029178591	0	59	0.0	-53.36	412.41	5.97	-47.39
CCC[N@H+](C)CCC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029178592	0	59	0.0	-62.35	424.96	5.73	-56.62
CCC[N@@H+](C)CCC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029178592	1	59	0.0	-62.65	425.20	5.76	-56.89
CCC[N@H+](C)CC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029178595	0	56	0.0	-58.21	402.61	5.19	-53.02
CCC[N@@H+](C)CC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029178595	1	56	0.0	-58.06	402.61	5.19	-52.87
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C12CC[N@H+](C1)CCC2	REAL300029178609	0	58	0.0	-59.97	405.52	5.14	-54.83
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C12CC[N@@H+](C1)CCC2	REAL300029178609	1	58	0.0	-66.42	403.69	5.26	-61.16
C[N@@H+]1CCC[C@@H]1C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029178635	0	54	0.0	-62.49	384.08	4.43	-58.06
C[N@H+]1CCC[C@@H]1C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029178635	1	54	0.0	-53.93	389.88	4.96	-48.97
CC[NH+](CC)CC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029178668	0	56	0.0	-56.54	394.94	4.87	-51.67
CC1CC[NH+](CC(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)CC1	REAL300029178728	0	60	0.0	-58.49	426.56	6.28	-52.21
C[NH+](C)CC1(C(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)CC1	REAL300029178748	0	57	0.0	-74.72	412.18	5.46	-69.26
C[NH+]1CCC(C(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)CC1	REAL300029178800	0	57	0.0	-60.41	407.76	5.63	-54.78
CC(C)[C@H](C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C)[NH+](C)C	REAL300029178816	0	59	0.0	-60.82	408.93	5.43	-55.39
CCC(C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C)[NH+](CC)CC	REAL300029178844	0	62	0.0	-54.30	428.13	6.22	-48.08
CC[N@H+](C)CCC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029178877	0	56	0.0	-61.96	403.46	5.01	-56.95
CC[N@@H+](C)CCC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029178877	1	56	0.0	-62.22	403.70	5.02	-57.20
CC1CCC[N@@H+]1CC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029178903	0	57	0.0	-55.02	402.08	5.15	-49.87
CC1CCC[N@H+]1CC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029178903	1	57	0.0	-55.10	407.73	5.55	-49.55
CC1CC[N@H+](CC(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)C1	REAL300029178904	0	57	0.0	-56.42	409.61	5.44	-50.98
CC1CC[N@@H+](CC(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)C1	REAL300029178904	1	57	0.0	-57.65	409.04	5.52	-52.13
CC1(C)CC[N@H+](CC(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)C1	REAL300029178908	0	60	0.0	-56.79	428.39	6.04	-50.75
CC1(C)CC[N@@H+](CC(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)C1	REAL300029178908	1	60	0.0	-54.77	428.74	6.22	-48.55
C[N@H+](CC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C)CC(C)(C)C	REAL300029178909	0	62	0.0	-54.87	430.60	6.41	-48.46
C[N@@H+](CC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C)CC(C)(C)C	REAL300029178909	1	62	0.0	-57.50	438.53	6.71	-50.79
CC[C@@H](C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C)[NH+](C)C	REAL300029178917	0	56	0.0	-55.61	397.48	5.52	-50.09
C[NH+](C)CC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179013	0	50	0.0	-59.17	363.37	3.79	-55.38
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[NH+]1CCCCCC1	REAL300029179016	0	60	0.0	-53.73	414.27	6.04	-47.69
CN1C=C[N+](CC(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)=C1	REAL300029179019	0	52	0.0	-56.41	394.83	7.31	-49.10
C[N@@H+]1CCCC(C(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)C1	REAL300029179023	0	57	0.0	-62.18	408.22	5.48	-56.70
C[N@H+]1CCCC(C(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)C1	REAL300029179023	1	57	0.0	-53.35	398.35	5.62	-47.73
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CCC[N@@H+]1C1CC1	REAL300029179028	0	58	0.0	-53.11	418.63	6.48	-46.63
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CCC[N@H+]1C1CC1	REAL300029179028	1	58	0.0	-53.25	413.72	6.33	-46.92
CC(C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C)[NH+]1CCC1	REAL300029179043	1	54	0.0	-56.06	391.20	4.81	-51.25
CCC(CC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C)C[NH+](C)C	REAL300029179047	0	62	0.0	-62.93	438.51	6.47	-56.46
C[NH+](C)CC(C)(C)C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179052	0	59	0.0	-52.00	409.45	5.50	-46.50
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[NH+]1CCC(O)CC1	REAL300029179065	1	58	0.0	-62.46	416.80	2.31	-60.15
C[N@H+](CC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C)C1CC1	REAL300029179066	0	54	0.0	-55.78	392.86	5.21	-50.57
C[N@@H+](CC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C)C1CC1	REAL300029179066	1	54	0.0	-55.45	392.64	5.19	-50.26
C[NH+]1CC(CC(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)C1	REAL300029179081	0	54	0.0	-61.24	395.07	4.64	-56.60
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179092	0	60	0.0	-57.88	424.52	5.51	-52.37
CC(C)(C)[N@H+]1CCC1C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179092	1	60	0.0	-61.59	410.98	5.16	-56.43
C[C@@H](C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C)[NH+](C)C	REAL300029179103	0	53	0.0	-55.43	381.55	4.28	-51.15
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CN1C=CSC1=[NH2+]	REAL300029179160	0	50	0.0	-50.97	390.27	4.16	-46.81
C[N@H+](CCO)CCC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179166	0	57	0.0	-61.40	414.05	1.80	-59.60
C[N@@H+](CCO)CCC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179166	1	57	0.0	-61.03	413.81	1.81	-59.22
C[C@@H](C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C)[NH+](C)C	REAL300029179167	0	53	0.0	-55.43	381.55	4.28	-51.15
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179171	0	57	0.0	-55.57	396.48	5.17	-50.40
C[N@H+]1CCCC[C@@H]1C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179171	1	57	0.0	-59.09	405.18	5.50	-53.59
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[NH+]1CCC1	REAL300029179221	1	51	0.0	-59.34	373.47	4.19	-55.15
C[N@@H+]1CCC(=CC(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)C1	REAL300029179238	0	55	0.0	-67.08	402.21	5.33	-61.75
C[N@H+]1CCC(=CC(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)C1	REAL300029179238	1	55	0.0	-68.46	402.20	5.33	-63.13
C[NH+](C)CCOCC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179259	0	57	0.0	-66.30	419.24	4.85	-61.45
C=CCC(C)(C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C)[NH+](C)C	REAL300029179272	0	60	0.0	-76.60	410.60	5.38	-71.22
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179293	0	58	0.0	-63.62	390.03	2.76	-60.86
CC1CN(CC(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)C1	REAL300029179311	0	54	0.0	-58.20	393.46	4.94	-53.26
CC1C[NH+](CC(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)C1	REAL300029179311	1	54	0.0	-58.20	393.46	4.94	-53.26
CN(CCO)CC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179329	0	54	0.0	-58.10	391.28	1.41	-56.69
C[N@H+](CCO)CC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179329	1	54	0.0	-59.89	391.78	1.28	-58.61
C[N@@H+](CCO)CC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179329	1	54	0.0	-59.89	391.78	1.28	-58.61
CC[N@@H+]1CCCC(C(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)C1	REAL300029179349	0	60	0.0	-59.87	425.45	6.26	-53.61
CC[N@H+]1CCCC(C(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)C1	REAL300029179349	1	60	0.0	-59.87	425.45	6.26	-53.61
CC(CC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C)C[NH+](C)C	REAL300029179351	0	59	0.0	-64.56	420.55	5.79	-58.77
CC[N@H+](C)CC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179356	0	53	0.0	-55.76	380.93	4.65	-51.11
CC[N@H+](CC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C)C1CC1	REAL300029179388	0	57	0.0	-56.29	409.45	5.80	-50.49
CC[NH+](CC)CCC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179398	0	59	0.0	-60.68	420.76	5.73	-54.95
CC1(O)CC[N@H+](CC(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)C1	REAL300029179433	0	58	0.0	-58.42	419.33	2.20	-56.22
C[NH+](C)CC=CC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179436	0	54	0.0	-65.59	400.59	5.04	-60.55
CC(OCC[NH+](C)C)C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179445	0	60	0.0	-66.49	439.10	5.58	-60.91
C[NH+](C)CCOCCC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179451	0	60	0.0	-63.87	440.16	4.61	-59.26
COCCN(C)CC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179452	0	57	0.0	-60.11	414.03	3.69	-56.42
COCC[N@H+](C)CC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179452	1	57	0.0	-57.91	413.53	3.81	-54.10
COCC[N@@H+](C)CC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179452	1	57	0.0	-57.91	413.53	3.81	-54.10
C[NH+](C)C1(C(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)CCCC1	REAL300029179472	0	60	0.0	-58.41	411.08	6.15	-52.26
CC(CCC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C)[NH+](C)C	REAL300029179474	0	59	0.0	-63.10	420.71	5.57	-57.53
CCN1CCC1C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179480	0	54	0.0	-56.48	388.36	4.75	-51.73
CC[N@@H+]1CCC1C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179480	1	54	0.0	-58.23	394.93	4.79	-53.44
CC[N@H+]1CCC1C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179480	1	54	0.0	-58.23	394.93	4.79	-53.44
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[N@@H+]1CCCC1CO	REAL300029179492	0	58	0.0	-51.80	408.80	2.42	-49.38
C[NH+]1CCC(C)(C(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)CC1	REAL300029179513	0	60	0.0	-68.41	420.93	5.94	-62.47
C=CCC(C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C)[NH+](C)C	REAL300029179531	0	57	0.0	-60.10	406.74	5.34	-54.76
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179538	0	60	0.0	-52.07	422.28	5.50	-46.57
C[NH+](C)CCCCCC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179540	0	62	0.0	-68.71	450.23	6.70	-62.01
CCCC(C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C)[NH+](C)C	REAL300029179560	0	59	0.0	-61.07	414.83	5.62	-55.45
C[NH+](C)C(C)(C)C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179563	0	56	0.0	-64.97	390.83	4.96	-60.01
C[N@@H+]1CCCCC1C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179588	0	57	0.0	-60.16	392.41	5.17	-54.99
C[N@H+]1CC=C(CC(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)CC1	REAL300029179611	0	58	0.0	-62.68	422.58	6.28	-56.40
C[N@@H+]1CC=C(CC(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)CC1	REAL300029179611	1	58	0.0	-62.68	422.58	6.28	-56.40
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C=CC[NH+]1CCCC1	REAL300029179645	0	58	0.0	-64.65	425.67	6.20	-58.45
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC[NH+]1CCCC1	REAL300029179677	0	57	0.0	-62.00	411.93	5.54	-56.46
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1C[NH+]2CCN1CC2	REAL300029179700	0	57	0.0	-69.48	399.22	2.52	-66.96
C[N@@H+]1CC2CC1(C(=O)NCC1N(C(=O)C3=CC(=O)[N-]O3)CCCC1(C)C)C2	REAL300029179704	0	55	0.0	-55.29	393.32	4.88	-50.41
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[N@@H+]1CC2CCC1C2	REAL300029179711	0	58	0.0	-57.46	407.77	5.70	-51.76
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[N@H+]1CC2CCC1C2	REAL300029179711	1	58	0.0	-57.46	407.77	5.70	-51.76
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CN1CC2C=CC1C2	REAL300029179749	0	56	0.0	-56.20	402.71	5.77	-50.43
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[N@@H+]1CC2C=CC1C2	REAL300029179749	1	56	0.0	-54.18	402.44	5.67	-48.51
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[N@H+]1CC2C=CC1C2	REAL300029179749	1	56	0.0	-54.18	402.44	5.67	-48.51
CC(C[NH+](C)C)C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179781	0	56	0.0	-52.02	401.53	5.21	-46.81
C[N@@H+]1CCCCC1CC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179825	0	60	0.0	-62.39	422.66	6.10	-56.29
C[N@H+]1CCCCC1CC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179825	1	60	0.0	-62.39	422.66	6.10	-56.29
CC(C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C)N1CC(C)C1	REAL300029179835	0	57	0.0	-56.13	412.11	5.45	-50.68
CC(C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C)[NH+]1CC(C)C1	REAL300029179835	1	57	0.0	-56.13	412.11	5.45	-50.68
CC1CCN1CC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179837	0	54	0.0	-54.64	389.21	4.77	-49.87
CC1CC[N@@H+]1CC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179837	1	54	0.0	-55.10	389.81	4.84	-50.26
CC1CC[N@H+]1CC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179837	1	54	0.0	-55.10	389.81	4.84	-50.26
C[NH+](C)CC(O)CC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179840	0	57	0.0	-67.79	415.90	2.88	-64.91
CC1C[N@H+](C)CC(C(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)O1	REAL300029179860	1	58	0.0	-72.47	414.88	4.80	-67.67
CC1C[N@@H+](C)CC(C(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)O1	REAL300029179860	1	58	0.0	-71.43	421.78	5.13	-66.30
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)C1	REAL300029179902	0	57	0.0	-56.74	412.69	5.71	-51.03
CC(CC[NH+](C)C)C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179907	0	59	0.0	-66.38	423.41	5.68	-60.70
C[NH+]1CCN(CC(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)CC1	REAL300029179924	1	59	0.0	-63.97	422.73	3.39	-60.58
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CSC(N)=[NH2+]	REAL300029179946	0	48	0.0	-63.04	371.89	0.65	-62.39
C[NH+](C)CCC1(C(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)CC1	REAL300029179974	0	60	0.0	-76.66	432.87	6.57	-70.09
C[N@@H+]1CC=CCC1CC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179975	0	58	0.0	-65.19	414.57	5.96	-59.23
C[N@H+]1CC=CCC1CC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179975	1	58	0.0	-57.75	409.81	5.81	-51.94
C[C@@H](OCC[NH+](C)C)C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029179987	0	60	0.0	-66.42	439.00	5.53	-60.89
CCC1CN(CC(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)C1	REAL300029180065	0	57	0.0	-59.15	416.01	5.64	-53.51
CCC1C[NH+](CC(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)C1	REAL300029180065	1	57	0.0	-59.15	416.01	5.64	-53.51
C[N@@H+]1CCC[C@H]1C(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029180070	0	54	0.0	-59.70	383.28	4.51	-55.19
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC[N@@H+]1CCC(F)C1	REAL300029180076	0	57	0.0	-66.08	417.96	5.60	-60.48
CC1C(C(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)CC[N@@H+]1C	REAL300029180095	0	57	0.0	-57.05	407.85	5.38	-51.67
CC1C(C(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)CC[N@H+]1C	REAL300029180095	1	57	0.0	-57.05	407.85	5.38	-51.67
CN1CCOCC1CC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029180124	0	58	0.0	-58.91	406.32	3.65	-55.26
C[N@@H+]1CCOCC1CC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029180124	1	58	0.0	-65.55	413.98	3.74	-61.81
C[N@H+]1CCOCC1CC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029180124	1	58	0.0	-65.55	413.98	3.74	-61.81
C[N@@H+]1CCCC1C(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029180294	0	54	0.0	-60.34	387.79	4.98	-55.36
CC1(C)CCCN(C(=O)CCN2CCOCC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029180470	0	58	0.0	-77.68	419.49	4.08	-73.60
CC1(C)CCCN(C(=O)CC[NH+]2CCOCC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029180470	1	58	0.0	-77.68	419.49	4.08	-73.60
CC1(C)CCCN(C(=O)C2=CC3=CN=CN3C=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029180482	0	52	0.0	-74.96	397.98	7.29	-67.67
CC1(C)CCCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029180482	1	52	0.0	-74.96	397.98	7.29	-67.67
C[N@@H+]1CCC(CC(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029180505	0	57	0.0	-74.51	410.16	5.64	-68.87
C[N@H+]1CCC(CC(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029180505	1	57	0.0	-74.51	410.16	5.64	-68.87
CCC(C(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029180512	0	56	0.0	-64.40	394.87	5.26	-59.14
C[NH+](C)CCCCC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029180545	0	59	0.0	-69.51	432.29	6.31	-63.20
CCC[N@H+](C)CCC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029180558	0	59	0.0	-75.76	425.44	5.99	-69.77
CCC[N@@H+](C)CCC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029180558	1	59	0.0	-75.76	425.44	5.99	-69.77
CCC[N@H+](C)CC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029180560	0	56	0.0	-65.88	406.04	5.52	-60.36
CCC[N@@H+](C)CC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029180560	1	56	0.0	-65.88	406.04	5.52	-60.36
CC1(C)CCCN(C(=O)C23CC[N@H+](C2)CCC3)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029180571	0	58	0.0	-79.26	397.44	4.90	-74.36
CC1(C)CCCN(C(=O)C23CC[N@@H+](C2)CCC3)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029180571	1	58	0.0	-79.26	397.44	4.90	-74.36
C[NH+](C)CC1(C(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029180630	0	57	0.0	-71.34	415.47	5.74	-65.60
CC[N@H+](C)CCC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029180646	0	56	0.0	-74.95	403.94	5.25	-69.70
CC[N@@H+](C)CCC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029180646	1	56	0.0	-74.95	403.94	5.25	-69.70
CC1(C)CCCN(C(=O)C2C[NH+]3CCC2CC3)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029180658	0	58	0.0	-81.58	400.28	5.46	-76.12
C[NH+]1CCC(C(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029180697	0	57	0.0	-69.23	409.43	5.65	-63.58
CCC(C(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300029180784	0	62	0.0	-58.20	428.76	6.20	-52.00
CC1CCC[N@@H+]1CC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029180793	0	57	0.0	-62.93	411.37	5.92	-57.01
CC1CCC[N@H+]1CC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029180793	1	57	0.0	-62.93	411.37	5.92	-57.01
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029180828	0	60	0.0	-62.04	421.45	6.02	-56.02
CC(C)[N@H+]1CCCC1C(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029180828	1	60	0.0	-62.04	421.45	6.02	-56.02
CC1CC[N@H+](CC(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029180845	0	57	0.0	-66.48	412.41	5.88	-60.60
CC1CC[N@@H+](CC(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029180845	1	57	0.0	-66.48	412.41	5.88	-60.60
CC1(C)CC[N@H+](CC(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029180848	0	60	0.0	-72.22	428.72	6.23	-65.99
CC1(C)CC[N@@H+](CC(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029180848	1	60	0.0	-66.26	431.95	6.38	-59.88
C[N@H+](CC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029180849	0	62	0.0	-64.41	434.84	6.55	-57.86
C[N@@H+](CC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029180849	1	62	0.0	-72.83	434.21	6.55	-66.28
CC[C@@H](C(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029180856	0	56	0.0	-65.86	397.47	5.17	-60.69
CC1=[NH+]C=CN1CC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029180952	1	52	0.0	-68.29	393.45	5.61	-62.68
CC[N@@H+]1CCOC(C(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029181002	1	58	0.0	-85.41	414.99	4.73	-80.68
CC[N@H+]1CCOC(C(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029181002	1	58	0.0	-66.48	409.42	4.70	-61.78
CC1(C)CCCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181025	0	52	0.0	-70.07	397.85	7.26	-62.81
CC1=C[NH+]=CN1CC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181028	1	52	0.0	-70.94	393.78	6.34	-64.60
C[C@@H]1[C@H](C(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029181033	0	57	0.0	-66.15	397.73	5.68	-60.47
C[C@@H]1[C@H](C(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029181033	1	57	0.0	-76.57	400.75	5.03	-71.54
CC[C@@H]1[C@@H](C(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029181035	0	60	0.0	-65.25	418.92	5.68	-59.57
CC[C@@H]1[C@@H](C(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029181035	1	60	0.0	-74.68	421.73	5.78	-68.90
CC1CCC(C)[NH+]1CC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181041	0	60	0.0	-63.23	423.80	5.98	-57.25
CC1(C)CCCN(C(=O)CCC[NH+]2CCCC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181044	0	60	0.0	-73.16	433.09	6.52	-66.64
CC1(C)CCCN(C(=O)CC[NH+]2CCCCC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181047	0	60	0.0	-74.16	428.00	6.48	-67.68
C[N@H+](CC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029181123	0	57	0.0	-70.47	410.26	5.99	-64.48
C[N@@H+](CC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029181123	1	57	0.0	-70.84	409.89	5.95	-64.89
C[NH+]1CCC(C(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029181149	0	57	0.0	-69.23	409.43	5.65	-63.58
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181172	0	54	0.0	-66.90	383.61	4.57	-62.33
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181172	1	54	0.0	-69.10	384.80	4.73	-64.37
C[N@@H+]1CCCC1CCC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181190	0	60	0.0	-71.69	434.34	6.66	-65.03
C[N@H+]1CCCC1CCC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181190	1	60	0.0	-71.48	425.61	6.07	-65.41
CC1C(C(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029181290	0	57	0.0	-63.82	408.89	5.39	-58.43
CC1C(C(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029181290	1	57	0.0	-71.83	402.07	5.14	-66.69
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181332	0	60	0.0	-65.59	427.54	5.80	-59.79
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181332	1	60	0.0	-62.57	406.32	4.81	-57.76
C[C@@H](C(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029181346	0	53	0.0	-61.29	380.97	4.43	-56.86
C=CCC(C)(C(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029181360	0	60	0.0	-68.98	410.61	5.25	-63.73
CC1(C)CCCN(C(=O)CC[NH+]2CCCC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181375	0	57	0.0	-75.22	410.73	5.68	-69.54
C[N@H+](CCO)CC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181384	1	54	0.0	-73.69	392.23	1.43	-72.26
C[N@@H+](CCO)CC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181384	1	54	0.0	-66.65	394.79	1.48	-65.17
C[N@H+]1CC=C(CC(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029181430	0	58	0.0	-69.40	423.33	6.38	-63.02
C[N@@H+]1CC=C(CC(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029181430	1	58	0.0	-66.72	422.82	6.35	-60.37
CC1C[NH+](CC(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029181474	1	54	0.0	-73.92	393.71	5.13	-68.79
CC[N@@H+]1CCCC(C(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029181478	0	60	0.0	-65.07	425.70	6.19	-58.88
CC[N@H+]1CCCC(C(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029181478	1	60	0.0	-57.24	418.25	6.35	-50.89
CC1(C)CCCN(C(=O)CC2=CC=C[NH+]=C2N)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181482	0	53	0.0	-67.07	398.26	3.88	-63.19
CC1(C)CCCN(C(=O)C2CCC[N@@H+]2C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181488	0	58	0.0	-72.52	408.74	5.69	-66.83
CC1(C)CCCN(C(=O)C2CCC[N@H+]2C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181488	1	58	0.0	-70.96	408.11	5.66	-65.30
CC1(C)CCCN(C(=O)C=CC[NH+]2CCCC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181510	0	58	0.0	-68.83	427.41	6.58	-62.25
CC[N@H+](C)CC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181544	0	53	0.0	-65.76	384.54	4.78	-60.98
CC1(C)CCCN(C(=O)CN2CC3C=CC2C3)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181573	0	56	0.0	-62.93	405.77	5.99	-56.94
CC1(C)CCCN(C(=O)C[N@@H+]2CC3C=CC2C3)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181573	1	56	0.0	-65.10	406.52	6.12	-58.98
CC1(C)CCCN(C(=O)C[N@H+]2CC3C=CC2C3)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181573	1	56	0.0	-65.10	406.52	6.12	-58.98
CC(OCC[NH+](C)C)C(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181643	0	60	0.0	-54.10	438.88	5.46	-48.64
C[NH+](C)CCOCCC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181650	0	60	0.0	-67.52	443.75	4.96	-62.56
COCCN(C)CC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181652	0	57	0.0	-66.72	417.05	3.88	-62.84
COCC[N@H+](C)CC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181652	1	57	0.0	-74.25	414.48	3.83	-70.42
COCC[N@@H+](C)CC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181652	1	57	0.0	-74.25	414.48	3.83	-70.42
CC(CCC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029181655	0	59	0.0	-64.45	423.54	5.83	-58.62
CC[N@H+](CC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029181669	0	57	0.0	-62.91	412.89	6.05	-56.86
CC1(C)CCCN(C(=O)C[N@@H+]2CC3CCC2C3)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181699	0	58	0.0	-60.55	410.45	6.02	-54.53
CC1(C)CCCN(C(=O)C[N@H+]2CC3CCC2C3)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181699	1	58	0.0	-60.55	410.45	6.02	-54.53
CC(C[NH+](C)C)C(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181712	0	56	0.0	-67.25	400.56	5.15	-62.10
CCN1CCC1C(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181741	0	54	0.0	-72.80	394.30	4.87	-67.93
CC[N@@H+]1CCC1C(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181741	1	54	0.0	-66.44	397.94	5.09	-61.35
CC[N@H+]1CCC1C(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181741	1	54	0.0	-66.44	397.94	5.09	-61.35
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181749	0	62	0.0	-60.14	429.89	4.51	-55.63
CCCC(C(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029181781	0	59	0.0	-66.23	416.24	6.01	-60.22
CC(CC[NH+](C)C)C(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181796	0	59	0.0	-67.12	425.54	5.84	-61.28
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181845	0	60	0.0	-60.12	420.70	5.74	-54.38
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181845	1	60	0.0	-60.12	420.70	5.74	-54.38
C[NH+](C)CCCCCC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181847	0	62	0.0	-74.44	450.67	6.94	-67.50
C[NH+]1CCN(CC(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029181854	1	59	0.0	-63.79	425.03	3.62	-60.17
CC1C[N@H+](C)CC(C(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300029181899	1	58	0.0	-88.32	418.70	4.83	-83.49
CC1C[N@@H+](C)CC(C(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300029181899	1	58	0.0	-79.28	410.64	4.64	-74.64
CC1(C)CCCN(C(=O)C[NH+]2CC3CC3C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181927	0	55	0.0	-73.33	399.02	5.86	-67.47
C[N@@H+]1CCCCC1C(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181947	0	57	0.0	-63.17	406.80	5.63	-57.54
C[N@H+]1CCCCC1C(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181947	1	57	0.0	-63.50	396.01	5.08	-58.42
C[N@@H+]1CCC(=CC(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029182001	0	55	0.0	-65.44	404.19	5.67	-59.77
C[N@H+]1CCC(=CC(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029182001	1	55	0.0	-66.72	404.20	5.67	-61.05
CC1(C)CCCN(C(=O)CNC2=CC=[NH+]C=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182004	0	53	0.0	-73.65	399.56	3.26	-70.39
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182062	0	54	0.0	-59.27	390.50	4.97	-54.30
C[N@H+]1CCC[C@H]1C(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182062	1	54	0.0	-60.55	381.00	4.65	-55.90
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029182139	0	57	0.0	-74.41	412.65	5.71	-68.70
C[N@@H+]1CC=CCC1CC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182147	0	58	0.0	-68.58	417.21	6.29	-62.29
C[N@H+]1CC=CCC1CC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182147	1	58	0.0	-65.45	410.18	6.05	-59.40
C[NH+](C)CCOCC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182179	0	57	0.0	-58.60	421.80	5.01	-53.59
CC1(C)CCCN(C(=O)CN2C=CSC2=[NH2+])C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182198	0	50	0.0	-61.52	393.88	4.30	-57.22
C[C@@H](OCC[NH+](C)C)C(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182227	0	60	0.0	-57.35	437.63	5.46	-51.89
C[N@@H+]1CCCC(C(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029182249	0	57	0.0	-52.61	400.10	5.74	-46.87
C[N@H+]1CCCC(C(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029182249	1	57	0.0	-52.61	400.10	5.74	-46.87
CC1(C)CCCN(C(=O)C[NH+]2CCCCCC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182250	0	60	0.0	-72.00	414.81	6.02	-65.98
CN1C=C[N+](CC(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029182253	0	52	0.0	-69.57	395.06	7.47	-62.10
CC1(C)CCCN(C(=O)CN2CCC(O)CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182270	0	58	0.0	-77.50	416.67	2.48	-75.02
CC1(C)CCCN(C(=O)C[NH+]2CCC(O)CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182270	1	58	0.0	-77.50	416.67	2.48	-75.02
C[N@H+](CC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029182271	0	54	0.0	-63.25	396.36	5.54	-57.71
CC1(C)CCCN(C(=O)CC[N@@H+]2CCC(F)C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182274	0	57	0.0	-80.15	418.39	5.85	-74.30
CC(CC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029182292	0	59	0.0	-74.69	421.40	6.06	-68.63
CN1CCOCC1CC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182311	0	58	0.0	-80.98	414.11	3.86	-77.12
C[N@@H+]1CCOCC1CC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182311	1	58	0.0	-53.67	409.13	3.84	-49.83
C[N@H+]1CCOCC1CC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182311	1	58	0.0	-53.67	409.13	3.84	-49.83
CC1=CC(N)=NC=C1C(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182339	0	53	0.0	-68.77	397.28	3.43	-65.34
CC1=CC(N)=[NH+]C=C1C(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182339	1	53	0.0	-68.77	397.28	3.43	-65.34
CC1(O)CC[N@H+](CC(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029182364	0	58	0.0	-63.97	422.77	2.52	-61.45
C[NH+]1CC(CC(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029182389	0	54	0.0	-73.49	395.62	4.87	-68.62
C[N@H+](CCO)CCC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182413	0	57	0.0	-73.81	414.17	2.04	-71.77
C[N@@H+](CCO)CCC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182413	1	57	0.0	-73.81	414.17	2.04	-71.77
C[N@@H+]1CCCCC1CC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182425	0	60	0.0	-77.10	423.22	6.20	-70.90
C[N@H+]1CCCCC1CC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182425	1	60	0.0	-77.10	423.22	6.20	-70.90
CC1CCN1CC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182437	0	54	0.0	-70.51	389.63	4.79	-65.72
CC1CC[N@@H+]1CC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182437	1	54	0.0	-71.81	395.53	5.06	-66.75
CC1CC[N@H+]1CC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182437	1	54	0.0	-71.81	395.53	5.06	-66.75
C[NH+](C)CC=CC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182441	0	54	0.0	-67.63	402.49	5.38	-62.25
CC1(C)CN(CC(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029182446	0	57	0.0	-67.71	417.53	5.76	-61.95
CC1(C)C[NH+](CC(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029182446	1	57	0.0	-67.71	417.53	5.76	-61.95
C[NH+](C)CCSCC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182463	0	57	0.0	-72.58	432.99	6.12	-66.46
CC1(C)CCCN(C(=O)C[N@@H+]2CCCC2CO)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182479	0	58	0.0	-67.12	421.77	2.67	-64.45
CC[NH+](CC)CC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182483	0	56	0.0	-63.03	401.90	5.45	-57.58
CC1(C)CCCN(C(=O)CN2CCC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182492	0	51	0.0	-66.31	377.22	4.60	-61.71
CC1(C)CCCN(C(=O)C[NH+]2CCC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182492	1	51	0.0	-66.31	377.22	4.60	-61.71
CC[NH+](CC)CCC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182516	0	59	0.0	-66.01	423.48	6.10	-59.91
CC(C(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1)N1CCC1	REAL300029182559	0	54	0.0	-65.04	394.25	5.02	-60.02
CC(C(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300029182559	1	54	0.0	-65.04	394.25	5.02	-60.02
CCC(CC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029182564	0	62	0.0	-73.33	442.05	6.73	-66.60
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182594	0	57	0.0	-60.43	407.18	5.70	-54.73
C[NH+](C)CC(O)CC(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182613	0	57	0.0	-71.09	419.36	2.91	-68.18
C=CCC(C(=O)N1CCCC(C)(C)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029182634	0	57	0.0	-60.70	406.64	5.48	-55.22
C[NH+](C)CCSCC(=O)NCC1N(C(=O)C2=CC(=O)[N-]O2)CCCC1(C)C	REAL300029182700	0	57	0.0	-70.60	430.26	5.73	-64.87
C[N@@H+]1CCCC1C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029182862	0	49	0.0	-67.63	368.65	4.11	-63.52
C[N@H+]1CCCC1C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029182862	1	49	0.0	-69.62	375.50	3.36	-66.26
C[N@@H+]1CCOC(C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029182886	1	50	0.0	-84.27	386.20	2.69	-81.58
C[N@H+]1CCOC(C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029182886	1	50	0.0	-73.26	379.12	2.57	-70.69
CC(C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+]1CCCCCC1	REAL300029183057	0	58	0.0	-68.96	418.98	4.70	-64.26
CC(C)[N@@H+]1CCCCC1C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029183059	0	58	0.0	-66.94	421.97	4.81	-62.13
CC(C)[N@H+]1CCCCC1C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029183059	1	58	0.0	-63.44	412.73	5.03	-58.41
CC(C)[N@@H+]1CCCC1C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029183080	0	55	0.0	-68.15	407.59	4.37	-63.78
CC(C)[N@H+]1CCCC1C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029183080	1	55	0.0	-68.21	407.36	4.39	-63.82
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CC2CCCC[N@@H+]2C1	REAL300029183097	0	56	0.0	-73.56	416.36	5.06	-68.50
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C[NH+](C)CCCCCC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029185779	0	57	0.0	-70.84	432.77	5.39	-65.45
CC1C[N@@H+]2CCN1C(C(=O)NC1CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC31)C2	REAL300029185814	0	55	0.0	-76.19	397.62	2.22	-73.97
CCCC(C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+](C)C	REAL300029185815	0	54	0.0	-67.30	397.57	4.26	-63.04
C[NH+](C)C(C)(C)C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029185819	0	51	0.0	-68.19	371.94	3.61	-64.58
C[N@@H+]1CCCCC1C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029185861	0	52	0.0	-65.33	378.46	4.65	-60.68
C[N@H+]1CCCCC1C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029185861	1	52	0.0	-66.88	378.86	3.89	-62.99
C[N@H+]1CC=C(CC(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029185901	0	53	0.0	-68.65	405.29	5.57	-63.08
C[N@@H+]1CC=C(CC(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029185901	1	53	0.0	-70.14	407.80	4.57	-65.57
O=C(CC1([NH+]2CCCC2)CC1)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029185910	0	56	0.0	-65.52	410.97	5.20	-60.32
C[NH+](C)CC1=CC=C(C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)O1	REAL300029185959	1	52	0.0	-72.11	410.35	4.26	-67.85
C[NH+](C)CC1=CC=C(C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C=N1	REAL300029185964	0	54	0.0	-78.00	422.49	3.89	-74.11
O=C(C=CC[NH+]1CCCC1)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029185976	0	53	0.0	-75.18	410.89	4.66	-70.52
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CC[NH+](C2CC2)CC1	REAL300029186000	0	56	0.0	-66.68	420.01	6.30	-60.38
C[NH+](C)C1(C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029186021	0	49	0.0	-68.84	372.47	3.14	-65.70
O=C(CC[NH+]1CCCC1)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029186023	0	52	0.0	-73.50	396.91	3.98	-69.52
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1C[NH+]2CCN1CC2	REAL300029186061	0	52	0.0	-79.65	385.13	0.76	-78.89
C[N@@H+]1CC2CC1(C(=O)NC1CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC31)C2	REAL300029186071	0	50	0.0	-74.66	381.30	3.46	-71.20
C[N@H+]1CC2CC1(C(=O)NC1CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC31)C2	REAL300029186071	1	50	0.0	-69.43	376.36	4.59	-64.84
O=C(C[N@@H+]1CC2CCC1C2)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029186085	0	53	0.0	-70.48	392.69	4.19	-66.29
O=C(C[N@H+]1CC2CCC1C2)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029186085	1	53	0.0	-64.90	388.89	5.10	-59.80
O=C(C=C1C[NH+]2CCC1CC2)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029186126	0	54	0.0	-68.86	405.03	4.65	-64.21
O=C(C[N@@H+]1CC2C=CC1C2)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029186136	1	51	0.0	-69.16	387.58	4.10	-65.06
O=C(C[N@H+]1CC2C=CC1C2)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029186136	1	51	0.0	-66.45	384.28	5.19	-61.26
CC[NH+]1CCN(CC(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029186168	0	57	0.0	-71.53	425.80	2.47	-69.06
CC(C[NH+](C)C)C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029186188	0	51	0.0	-69.70	384.06	3.74	-65.96
C[N@@H+]1CCCCC1CC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029186266	0	55	0.0	-65.37	400.83	4.37	-61.00
C[N@H+]1CCCCC1CC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029186266	1	55	0.0	-74.74	407.77	4.46	-70.28
CC1=C2C=C(C(=O)NC3CCC4CN(C(=O)C5=CC(=O)[N-]O5)CC43)C=CN2C=[NH+]1	REAL300029186282	1	50	0.0	-75.73	401.18	6.35	-69.38
CC(C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+]1CC(C)C1	REAL300029186283	1	52	0.0	-66.13	394.97	4.17	-61.96
CC1CC[N@@H+]1CC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029186286	1	49	0.0	-70.73	374.32	3.08	-67.65
CC1CC[N@H+]1CC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029186286	1	49	0.0	-71.03	380.15	3.38	-67.65
C[NH+](C)CC(O)CC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029186291	0	52	0.0	-73.29	398.62	1.45	-71.84
CC1C[N@H+](C)CC(C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)O1	REAL300029186319	1	53	0.0	-84.16	400.28	3.04	-81.12
CC1C[N@@H+](C)CC(C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)O1	REAL300029186319	1	53	0.0	-74.99	398.09	3.62	-71.37
O=C(CC[NH+]1CCC(O)CC1)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029186328	0	56	0.0	-77.10	423.23	1.31	-75.79
CCC[N@@H+]1CCCCC1C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029186330	0	58	0.0	-64.01	416.07	5.96	-58.05
CCC[N@H+]1CCCCC1C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029186330	1	58	0.0	-69.04	430.11	5.28	-63.76
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029186409	0	52	0.0	-65.65	393.63	4.91	-60.74
CC(CC[NH+](C)C)C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029186417	0	54	0.0	-70.28	405.70	4.36	-65.92
C[N@H+](CC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[C@@H]1CCC[C@H]1O	REAL300029186438	0	56	0.0	-68.92	419.20	1.64	-67.28
C[N@@H+](CC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[C@@H]1CCC[C@H]1O	REAL300029186438	1	56	0.0	-70.57	419.61	1.65	-68.92
C[NH+]1CCN(CC(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029186450	1	54	0.0	-72.71	408.06	1.79	-70.92
CC[NH+]1CCN(CC(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029186459	0	57	0.0	-71.53	425.80	2.47	-69.06
NC(=[NH2+])SCC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029186485	0	43	0.0	-69.62	354.44	-0.66	-70.28
CC[N@@H+]1CCOCC1CC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029186522	0	56	0.0	-70.02	409.14	2.82	-67.20
C[NH+](C)C1CCC(C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029186538	0	58	0.0	-71.10	421.24	4.98	-66.12
C[NH+](C)CCC1(C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029186539	0	55	0.0	-70.40	424.67	4.79	-65.61
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029186541	0	58	0.0	-67.18	417.98	5.15	-62.03
C[N@@H+]1CC=CCC1CC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029186542	0	53	0.0	-70.79	397.00	4.52	-66.27
C[N@H+]1CC=CCC1CC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029186542	1	53	0.0	-70.79	397.00	4.52	-66.27
C[C@@H](OCC[NH+](C)C)C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029186565	0	55	0.0	-71.39	424.76	4.06	-67.33
C[NH+]1C2CCC1CC(C(=O)NC1CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC31)C2	REAL300029186593	0	56	0.0	-65.04	388.07	4.92	-60.12
CC(C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+]1CCSCC1	REAL300029186703	1	53	0.0	-69.46	401.03	4.32	-65.14
CCC1C[NH+](CC(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029186705	1	52	0.0	-69.64	398.19	4.31	-65.33
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1([NH+]2CCCC2)CCC1	REAL300029186707	0	56	0.0	-64.20	403.59	5.33	-58.87
C[N@H+]1CCC[C@H]1C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029186716	1	49	0.0	-65.07	364.30	3.71	-61.36
O=C(CC[N@@H+]1CCC(F)C1)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029186723	1	52	0.0	-73.90	399.96	4.28	-69.62
COC1C[N@@H+](C)C(C)(C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029186731	1	56	0.0	-69.25	414.80	3.58	-65.67
O=C(CC[NH+]1CCCCCC1)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029186740	0	58	0.0	-75.14	422.60	4.87	-70.27
O=C(C[NH+]1CCCCC1)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029186742	0	52	0.0	-72.54	390.31	4.12	-68.42
CC1C(C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC[N@@H+]1C	REAL300029186752	0	52	0.0	-66.73	387.52	4.66	-62.07
CC1C(C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC[N@H+]1C	REAL300029186752	1	52	0.0	-74.04	386.55	3.46	-70.58
C[N@@H+]1CCCCC1CCC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029186754	0	58	0.0	-67.90	419.78	5.97	-61.93
C[N@H+]1CCCCC1CCC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029186754	1	58	0.0	-70.37	420.20	5.20	-65.17
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CC[N@@H+]2CCOCC12	REAL300029186784	0	54	0.0	-67.14	400.76	2.75	-64.39
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CC[N@H+]2CCOCC12	REAL300029186784	1	54	0.0	-66.05	398.95	3.61	-62.44
CC1=[NH+]C=C2C=CC(C(=O)NC3CCC4CN(C(=O)C5=CC(=O)[N-]O5)CC43)=CN21	REAL300029186789	0	50	0.0	-69.91	400.39	5.56	-64.35
CN1CCOCC1CC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029186806	0	53	0.0	-73.58	396.39	2.27	-71.31
C[N@@H+]1CCOCC1CC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029186806	1	53	0.0	-68.44	391.75	1.92	-66.52
C[N@H+]1CCOCC1CC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029186806	1	53	0.0	-73.58	396.39	2.27	-71.31
CC1=C(C)[NH+]=C(CCC(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)N1	REAL300029186814	1	53	0.0	-68.13	418.82	3.54	-64.59
C[N@@H+]1CCCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029186986	0	49	0.0	-73.18	370.18	2.86	-70.32
C[N@H+]1CCCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029186986	1	49	0.0	-71.99	367.35	3.08	-68.91
C[N@@H+]1CCOC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029187012	1	50	0.0	-60.93	382.15	3.68	-57.25
C[N@H+]1CCOC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029187012	1	50	0.0	-76.45	373.79	2.68	-73.77
CC1=[NH+]C=CN1CCCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029187174	1	53	0.0	-72.34	423.23	5.36	-66.98
C[NH+](C)CC1=CC=C(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C=C1	REAL300029187179	0	55	0.0	-72.06	427.44	5.52	-66.54
O=C(CC[NH+]1CCOCC1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029187180	1	53	0.0	-79.07	406.86	2.39	-76.68
O=C(NC1CCC2CN(C(=O)C34CCC[NH+]3CCC4)CC21)C1=CC(=O)[N-]O1	REAL300029187205	0	53	0.0	-68.90	391.17	3.84	-65.06
O=C(NC1CCC2CN(C(=O)C3=CC4=C[NH+]=CN4C=C3)CC21)C1=CC(=O)[N-]O1	REAL300029187215	1	47	0.0	-79.42	387.19	5.83	-73.59
C[NH+](C)C1CCCC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029187275	0	58	0.0	-68.30	430.29	5.07	-63.23
C[N@@H+]1CCC(CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029187278	0	52	0.0	-76.58	395.67	4.18	-72.40
C[N@H+]1CCC(CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029187278	1	52	0.0	-75.19	393.89	4.93	-70.26
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029187290	0	51	0.0	-68.73	401.33	2.36	-66.37
CCC(C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300029187295	0	51	0.0	-72.78	384.30	3.54	-69.24
C[NH+](C)CCCCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029187362	0	54	0.0	-77.60	416.96	4.52	-73.08
CC(C)C(C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300029187384	0	54	0.0	-70.56	388.97	3.98	-66.58
CCC[N@H+](C)CCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029187386	0	54	0.0	-77.00	413.86	4.44	-72.56
CCC[N@@H+](C)CCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029187386	1	54	0.0	-77.12	413.18	4.33	-72.79
CCC[N@H+](C)CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029187392	0	51	0.0	-73.19	387.93	4.01	-69.18
CCC[N@@H+](C)CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029187392	1	51	0.0	-73.18	387.93	4.02	-69.16
O=C(NC1CCC2CN(C(=O)C34CC[N@H+](C3)CCC4)CC21)C1=CC(=O)[N-]O1	REAL300029187416	0	53	0.0	-68.09	386.25	3.26	-64.83
O=C(NC1CCC2CN(C(=O)C34CC[N@@H+](C3)CCC4)CC21)C1=CC(=O)[N-]O1	REAL300029187416	1	53	0.0	-82.88	380.34	3.40	-79.48
CCCCCC[N@H+](C)CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029187452	0	60	0.0	-75.21	455.83	6.18	-69.03
CCCCCC[N@@H+](C)CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029187452	1	60	0.0	-74.53	452.43	6.36	-68.17
CC[NH+](CC)C(C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C(C)C	REAL300029187457	0	60	0.0	-69.40	423.71	5.44	-63.96
CC1CC[NH+](CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029187490	0	55	0.0	-74.31	414.84	4.92	-69.39
C[NH+]1CCC(OCC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029187518	0	56	0.0	-81.71	428.55	4.76	-76.95
O=C(NC1CCC2CN(C(=O)C3CC4CCCC[N@@H+]4C3)CC21)C1=CC(=O)[N-]O1	REAL300029187563	0	56	0.0	-71.18	411.71	5.88	-65.30
O=C(NC1CCC2CN(C(=O)C3CC4CCCC[N@H+]4C3)CC21)C1=CC(=O)[N-]O1	REAL300029187563	1	56	0.0	-71.92	415.11	4.96	-66.96
C[NH+](C)CC1(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029187574	0	52	0.0	-76.68	399.95	4.02	-72.66
CC1=[NH+]C=C2CCC(C(=O)N3CC4CCC(NC(=O)C5=CC(=O)[N-]O5)C4C3)CN21	REAL300029187575	1	54	0.0	-69.41	415.30	4.77	-64.64
CC(C)[NH+]1CCC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029187586	0	58	0.0	-77.80	427.12	5.00	-72.80
CC[N@H+](C)CCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029187611	0	51	0.0	-76.37	392.36	3.68	-72.69
CC[N@@H+](C)CCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029187611	1	51	0.0	-76.24	392.35	3.67	-72.57
CC(C)(C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+]1CCCCC1	REAL300029187637	0	58	0.0	-72.64	409.00	6.16	-66.48
O=C(NC1CCC2CN(C(=O)C3C[NH+]4CCC3CC4)CC21)C1=CC(=O)[N-]O1	REAL300029187647	0	53	0.0	-81.09	390.82	4.00	-77.09
C[NH+]1CCC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029187727	0	52	0.0	-64.13	392.16	4.12	-60.01
CC(C)[C@H](C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300029187745	0	54	0.0	-71.83	395.69	3.85	-67.98
CC[NH+](CC)CC(F)C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029187840	0	54	0.0	-76.07	410.43	4.56	-71.51
CC(C)C[N@@H+]1CCC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029187875	0	58	0.0	-70.60	429.58	6.19	-64.41
CC(C)C[N@H+]1CCC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029187875	1	58	0.0	-74.72	431.72	5.17	-69.55
C[NH+](C)C1(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CCC1	REAL300029187879	0	52	0.0	-77.00	381.48	3.10	-73.90
CCC(C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](CC)CC	REAL300029187910	0	57	0.0	-71.48	409.97	5.75	-65.73
CC1CCC[N@@H+]1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029187930	0	52	0.0	-69.66	387.48	4.71	-64.95
CC1CCC[N@H+]1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029187930	1	52	0.0	-70.16	390.73	3.79	-66.37
CC(C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+]1CCCCCC1	REAL300029188000	0	58	0.0	-67.56	416.46	5.68	-61.88
CC(C)[N@@H+]1CCCCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029188002	0	58	0.0	-66.34	419.57	5.76	-60.58
CC(C)[N@H+]1CCCCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029188002	1	58	0.0	-66.18	410.74	5.54	-60.64
CC(C)[N@@H+]1CCCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029188023	0	55	0.0	-70.96	397.96	5.31	-65.65
CC(C)[N@H+]1CCCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029188023	1	55	0.0	-72.34	394.36	5.34	-67.00
CC(C)[N@@H+]1CCCC1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029188029	0	58	0.0	-66.39	423.54	4.51	-61.88
CC(C)[N@H+]1CCCC1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029188029	1	58	0.0	-66.57	419.35	4.75	-61.82
CC(C)[C@@H](C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300029188044	0	54	0.0	-72.92	394.84	3.93	-68.99
CC1CC[N@H+](CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029188065	0	52	0.0	-73.08	397.75	4.07	-69.01
CC1CC[N@@H+](CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029188065	1	52	0.0	-72.78	396.98	4.02	-68.76
CC1=[NH+]C=C2CC(C(=O)N3CC4CCC(NC(=O)C5=CC(=O)[N-]O5)C4C3)CCN21	REAL300029188067	1	54	0.0	-62.94	420.66	5.00	-57.94
CC1(C)CC[N@H+](CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029188070	0	55	0.0	-70.41	413.95	5.54	-64.87
CC1(C)CC[N@@H+](CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029188070	1	55	0.0	-72.29	413.56	4.84	-67.45
C[N@H+](CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)CC(C)(C)C	REAL300029188071	0	57	0.0	-73.13	418.33	5.11	-68.02
C[N@@H+](CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)CC(C)(C)C	REAL300029188071	1	57	0.0	-73.62	422.25	5.00	-68.62
CC[C@@H](C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300029188080	0	51	0.0	-72.27	377.61	3.62	-68.65
CN(CCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C1=CC=[NH+]C=C1	REAL300029188207	0	54	0.0	-72.47	427.00	4.13	-68.34
CC1=[NH+]C=CN1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029188291	1	47	0.0	-70.46	381.50	4.03	-66.43
CC(C[NH+]1CCOCC1)C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029188293	0	56	0.0	-77.34	422.12	2.94	-74.40
O=C(CCC[NH+]1CCCCC1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029188310	0	58	0.0	-76.58	434.32	6.63	-69.95
C[NH+](C)CC1=CC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=NO1	REAL300029188328	1	51	0.0	-81.28	406.67	3.56	-77.72
CC1=C(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C=CC2=C[NH+]=CN21	REAL300029188329	0	50	0.0	-80.41	398.71	6.87	-73.54
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029188364	1	53	0.0	-69.07	417.87	5.14	-63.93
O=C(NC1CCC2CN(C(=O)C3CCCC4CCC[N@@H+]43)CC21)C1=CC(=O)[N-]O1	REAL300029188400	0	56	0.0	-66.61	416.42	5.01	-61.60
O=C(NC1CCC2CN(C(=O)C3CCCC4CCC[N@H+]43)CC21)C1=CC(=O)[N-]O1	REAL300029188400	1	56	0.0	-69.61	400.55	4.62	-64.99
CC[N@@H+]1CCOC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029188422	1	53	0.0	-86.59	399.70	4.29	-82.30
CC[N@H+]1CCOC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029188422	1	53	0.0	-75.77	391.32	3.33	-72.44
O=C(NC1CCC2CN(C(=O)C3=CN4C=[NH+]C=C4C=C3)CC21)C1=CC(=O)[N-]O1	REAL300029188475	0	47	0.0	-77.40	387.11	5.81	-71.59
CC1=C[NH+]=CN1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029188480	1	47	0.0	-72.92	381.86	4.77	-68.15
C[C@@H]1[C@H](C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC[N@@H+]1C	REAL300029188496	0	52	0.0	-79.87	388.38	3.39	-76.48
C[C@@H]1[C@H](C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC[N@H+]1C	REAL300029188496	1	52	0.0	-75.46	388.88	4.91	-70.55
CC[C@@H]1[C@@H](C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC[N@@H+]1C	REAL300029188501	0	55	0.0	-76.32	406.84	3.95	-72.37
CC[C@@H]1[C@@H](C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC[N@H+]1C	REAL300029188501	1	55	0.0	-77.93	406.71	5.23	-72.70
CC1CCC(C)[NH+]1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029188514	0	55	0.0	-69.67	409.47	4.34	-65.33
O=C(CCC[NH+]1CCCC1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029188520	0	55	0.0	-76.09	417.03	5.82	-70.27
C[NH+](C)CC1=CC=CC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=C1	REAL300029188521	0	55	0.0	-76.73	424.74	5.71	-71.02
C#CC[NH+]1CCC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029188527	0	54	0.0	-81.03	417.98	5.02	-76.01
O=C(CC[NH+]1CCCCC1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029188528	0	55	0.0	-74.93	412.63	5.06	-69.87
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029188532	0	55	0.0	-58.84	417.15	6.77	-52.07
CC[N@@H+]1CCCCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029188536	0	55	0.0	-68.91	410.49	4.54	-64.37
CC[N@H+]1CCCCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029188536	1	55	0.0	-68.18	405.97	4.72	-63.46
C[NH+](C)C(C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C1=CC=CC=C1	REAL300029188539	1	55	0.0	-69.67	416.42	5.80	-63.87
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029188544	1	54	0.0	-71.43	420.29	6.67	-64.76
C[NH+](C)C1(CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CCCC1	REAL300029188580	0	58	0.0	-78.25	415.44	4.82	-73.43
C[N@H+](CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C1CCC1	REAL300029188745	0	52	0.0	-71.54	398.33	4.41	-67.13
C[N@@H+](CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C1CCC1	REAL300029188745	1	52	0.0	-71.82	398.23	4.39	-67.43
CC(C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+]1C(C)CCC1C	REAL300029188770	0	58	0.0	-69.06	409.12	4.13	-64.93
O=C(CCCC[NH+]1CCCC1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029188783	0	58	0.0	-77.91	438.53	6.60	-71.31
C[N@H+](CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)CC1=CC=CC=C1	REAL300029188785	1	55	0.0	-78.62	428.77	6.01	-72.61
C[N@@H+](CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)CC1=CC=CC=C1	REAL300029188785	1	55	0.0	-78.02	425.41	6.20	-71.82
C[NH+]1CCC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029188796	0	52	0.0	-64.13	392.16	4.12	-60.01
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029188841	0	49	0.0	-73.57	370.19	2.87	-70.70
C[N@H+]1CCC[C@@H]1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029188841	1	49	0.0	-70.86	373.41	3.16	-67.70
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029188865	1	51	0.0	-69.95	394.03	5.09	-64.86
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029188865	1	51	0.0	-71.37	398.51	5.47	-65.90
C[N@@H+]1CCCC1CCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029188871	0	55	0.0	-78.38	419.02	4.91	-73.47
C[N@H+]1CCCC1CCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029188871	1	55	0.0	-73.19	410.63	4.67	-68.52
O=C(NC1CCC2CN(C(=O)C34CCC[NH+](CCC3)C4)CC21)C1=CC(=O)[N-]O1	REAL300029188882	0	56	0.0	-75.24	400.72	4.13	-71.11
O=C(NC1CCC2CN(C(=O)C3CCC4CCCC[N@@H+]43)CC21)C1=CC(=O)[N-]O1	REAL300029188889	0	56	0.0	-69.92	411.81	4.84	-65.08
O=C(NC1CCC2CN(C(=O)C3CCC4CCCC[N@H+]43)CC21)C1=CC(=O)[N-]O1	REAL300029188889	1	56	0.0	-70.37	410.92	4.83	-65.54
CCC[N@@H+]1CCCC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029188962	0	58	0.0	-61.58	425.64	5.33	-56.25
CCC[N@H+]1CCCC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029188962	1	58	0.0	-60.76	431.99	6.25	-54.51
CC(C)[N@@H+]1CCOC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029188979	1	56	0.0	-82.55	419.40	3.78	-78.77
CC(C)[N@H+]1CCOC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029188979	1	56	0.0	-49.81	409.32	4.56	-45.25
C[N@@H+]1CCCCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029189010	0	52	0.0	-70.41	389.54	4.91	-65.50
C[N@H+]1CCCCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029189010	1	52	0.0	-73.75	384.10	3.66	-70.09
CC(C)C[N@@H+]1CCCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029189034	0	58	0.0	-71.80	423.87	5.67	-66.13
CC(C)C[N@H+]1CCCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029189034	1	58	0.0	-70.88	426.62	5.97	-64.91
O=C(C[NH+]1CCC(CO)CC1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029189049	0	56	0.0	-72.06	422.02	2.44	-69.62
CC1C(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC[N@@H+]1C	REAL300029189095	0	52	0.0	-77.94	393.99	3.64	-74.30
CC1C(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC[N@H+]1C	REAL300029189095	1	52	0.0	-74.17	388.79	3.39	-70.78
C[N@@H+]1CCCCC1CCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029189097	0	58	0.0	-75.17	421.91	6.05	-69.12
C[N@H+]1CCCCC1CCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029189097	1	58	0.0	-73.50	433.08	5.36	-68.14
NC1=[NH+]C2=C(C=C1C(=O)N1CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C1)CCC2	REAL300029189129	1	52	0.0	-65.87	405.40	3.15	-62.72
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029189193	0	55	0.0	-71.66	391.01	3.45	-68.21
CC(C)(C)[N@H+]1CCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029189193	1	55	0.0	-70.66	389.00	3.47	-67.19
C[C@@H](C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300029189212	0	48	0.0	-72.06	368.79	2.73	-69.33
C[NH+](C)CC1=CC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=CC=N1	REAL300029189226	1	54	0.0	-74.96	416.77	4.17	-70.79
C=CCC(C)(C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300029189230	0	55	0.0	-78.38	390.08	4.55	-73.83
O=C(CC[NH+]1CCCC1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029189255	0	52	0.0	-75.69	400.59	4.19	-71.50
C[N@H+](CCO)CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029189265	1	49	0.0	-73.96	376.79	0.04	-73.92
C[N@@H+](CCO)CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029189265	1	49	0.0	-74.54	379.94	-0.12	-74.66
O=C(NC1CCC2CN(C(=O)C3C[N@@H+]4CCN3CCC4)CC21)C1=CC(=O)[N-]O1	REAL300029189303	0	55	0.0	-85.36	390.91	1.99	-83.37
O=C(NC1CCC2CN(C(=O)C3C[N@H+]4CCN3CCC4)CC21)C1=CC(=O)[N-]O1	REAL300029189303	1	55	0.0	-85.39	391.27	2.01	-83.38
CC(C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+]1CCSCC1	REAL300029189325	1	53	0.0	-74.20	409.73	4.29	-69.91
C[N@H+]1CC=C(CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029189365	0	53	0.0	-70.92	406.84	5.65	-65.27
C[N@@H+]1CC=C(CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029189365	1	53	0.0	-68.33	406.87	5.66	-62.67
C[S+](C)CCC(O)C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029189380	0	51	0.0	-83.00	413.22	1.85	-81.15
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029189399	0	53	0.0	-69.11	392.26	-0.45	-69.56
C[N@H+]1CC(O)CC1(C)C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029189399	1	53	0.0	-73.16	392.43	-0.11	-73.27
CN1CC[N@H+](C)CC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029189412	0	57	0.0	-72.03	423.05	2.26	-69.77
CN1CC[N@@H+](C)CC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029189412	1	57	0.0	-77.62	419.95	3.30	-74.32
CC(C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[N@@H+]1CCCC(O)C1	REAL300029189413	0	56	0.0	-73.02	421.72	1.25	-71.77
CC(C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[N@H+]1CCCC(O)C1	REAL300029189413	1	56	0.0	-72.04	419.60	1.50	-70.54
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029189440	0	52	0.0	-71.83	409.46	3.42	-68.41
C[N@@H+]1CCCC(O)(CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029189446	0	56	0.0	-69.01	409.35	2.79	-66.22
C[N@H+]1CCCC(O)(CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029189446	1	56	0.0	-74.36	409.96	2.70	-71.66
CC1C[NH+](CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029189451	1	49	0.0	-74.18	383.78	3.52	-70.66
CC[N@@H+]1CCCC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029189458	0	55	0.0	-66.05	413.88	4.58	-61.47
CC[N@H+]1CCCC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029189458	1	55	0.0	-66.82	403.58	4.52	-62.30
NC1=[NH+]C=CC=C1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029189464	0	48	0.0	-69.91	386.35	2.24	-67.67
O=C(NC1CCC2CN(C(=O)C3CCC[N@@H+]3C3CC3)CC21)C1=CC(=O)[N-]O1	REAL300029189477	0	53	0.0	-68.13	402.83	5.62	-62.51
O=C(NC1CCC2CN(C(=O)C3CCC[N@H+]3C3CC3)CC21)C1=CC(=O)[N-]O1	REAL300029189477	1	53	0.0	-72.21	400.74	4.18	-68.03
O=C(C=CC[NH+]1CCCC1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029189520	0	53	0.0	-79.18	410.15	5.75	-73.43
O=C(NC1CCC2CN(C(=O)C3CC[NH+](C4CC4)CC3)CC21)C1=CC(=O)[N-]O1	REAL300029189543	0	56	0.0	-77.39	422.08	5.23	-72.16
CC[N@H+](C)CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029189590	0	48	0.0	-72.96	366.43	3.28	-69.68
O=C(CN1CC2C=CC1C2)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029189650	0	51	0.0	-69.46	391.07	4.24	-65.22
O=C(C[N@@H+]1CC2C=CC1C2)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029189650	1	51	0.0	-68.98	387.86	4.47	-64.51
O=C(C[N@H+]1CC2C=CC1C2)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029189650	1	51	0.0	-68.98	387.86	4.47	-64.51
CC1=CC=C(NCCC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)N=C1	REAL300029189672	0	54	0.0	-70.38	427.49	4.03	-66.35
CC1=CC=C(NCCC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)[NH+]=C1	REAL300029189672	1	54	0.0	-70.38	427.49	4.03	-66.35
O=C(NC1CCC2CN(C(=O)C34CCC[N@@H+]3CCCC4)CC21)C1=CC(=O)[N-]O1	REAL300029189778	0	56	0.0	-65.89	397.15	4.99	-60.90
O=C(NC1CCC2CN(C(=O)C34CCC[N@H+]3CCCC4)CC21)C1=CC(=O)[N-]O1	REAL300029189778	1	56	0.0	-65.89	397.15	4.99	-60.90
O=C(NC1CCC2CN(C(=O)C34CCC[N@@H+]3CC=CC4)CC21)C1=CC(=O)[N-]O1	REAL300029189787	0	54	0.0	-67.50	393.14	3.92	-63.58
O=C(NC1CCC2CN(C(=O)C34CCC[N@H+]3CC=CC4)CC21)C1=CC(=O)[N-]O1	REAL300029189787	1	54	0.0	-67.50	393.14	3.92	-63.58
CC(OCC[NH+](C)C)C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029189798	0	55	0.0	-72.08	424.22	4.08	-68.00
C[NH+](C)CCOCCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029189808	0	55	0.0	-74.86	428.41	3.19	-71.67
COCCN(C)CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029189810	0	52	0.0	-74.32	402.20	2.29	-72.03
COCC[N@H+](C)CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029189810	1	52	0.0	-74.25	399.04	2.44	-71.81
COCC[N@@H+](C)CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029189810	1	52	0.0	-74.25	399.04	2.44	-71.81
CC(CCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300029189816	0	54	0.0	-79.72	404.94	4.13	-75.59
CC[N@H+](CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C1CC1	REAL300029189843	0	52	0.0	-70.82	398.87	4.47	-66.35
CC1C[N@@H+]2CCN1C(C(=O)N1CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C1)C2	REAL300029189859	0	55	0.0	-81.62	402.30	1.16	-80.46
CC1C[N@H+]2CCN1C(C(=O)N1CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C1)C2	REAL300029189859	1	55	0.0	-83.80	401.51	1.17	-82.63
C[N@@H+]1CC2CC1(C(=O)N1CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C1)C2	REAL300029189884	0	50	0.0	-75.08	376.18	4.34	-70.74
C[N@H+]1CC2CC1(C(=O)N1CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C1)C2	REAL300029189884	1	50	0.0	-76.78	378.76	3.56	-73.22
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029189894	1	52	0.0	-74.84	415.53	3.02	-71.82
O=C(C[N@@H+]1CC2CCC1C2)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029189901	0	53	0.0	-70.26	393.03	4.50	-65.76
O=C(C[N@H+]1CC2CCC1C2)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029189901	1	53	0.0	-71.69	398.17	4.44	-67.25
CC(C[NH+](C)C)C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029189923	0	51	0.0	-70.26	385.72	3.72	-66.54
C[NH+](C)C1(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029189940	0	49	0.0	-76.78	369.00	3.14	-73.64
C[C@H](C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300029189966	0	48	0.0	-70.85	365.52	3.67	-67.18
CC[N@@H+]1CCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029189975	1	49	0.0	-71.59	368.72	3.19	-68.40
CC[N@H+]1CCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029189975	1	49	0.0	-71.51	375.07	3.01	-68.50
CC(C)[N@@H+]1CCCC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029189988	0	58	0.0	-66.11	420.43	5.03	-61.08
CC(C)[N@H+]1CCCC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029189988	1	58	0.0	-66.37	420.34	5.05	-61.32
CCC(C)(C)[NH2+]C(C)C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029190003	0	57	0.0	-71.69	411.98	3.09	-68.60
C#CC[N@H+]1CCCCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029190047	1	54	0.0	-68.73	414.38	6.04	-62.69
C#CC[N@@H+]1CCCCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029190047	1	54	0.0	-70.58	417.43	5.09	-65.49
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029190048	1	51	0.0	-68.17	400.67	2.96	-65.21
NC1=CC=[NH+]C=C1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029190049	0	45	0.0	-76.84	356.63	1.27	-75.57
CCCC(C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300029190058	0	54	0.0	-73.78	401.78	5.21	-68.57
C[NH+](C)C(C)(C)C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029190065	0	51	0.0	-76.47	372.17	2.78	-73.69
CC(CC[NH+](C)C)C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029190084	0	54	0.0	-76.73	407.99	4.32	-72.41
O=C(NC1CCC2CN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)CC21)C1=CC(=O)[N-]O1	REAL300029190155	0	54	0.0	-73.86	412.67	4.89	-68.97
O=C(NC1CCC2CN(C(=O)C34CC(C3)C[N@H+]4C3CC3)CC21)C1=CC(=O)[N-]O1	REAL300029190155	1	54	0.0	-75.13	404.27	5.39	-69.74
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029190194	0	55	0.0	-67.15	406.03	4.94	-62.21
C[N@H+]1CC(C)(C)CC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029190194	1	55	0.0	-72.35	410.92	4.01	-68.34
C[NH+](C)CCCCCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029190199	0	57	0.0	-76.67	438.46	5.30	-71.37
O=C(CC[NH+]1CCC(O)CC1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029190203	0	56	0.0	-79.21	426.88	1.51	-77.70
CCC[N@@H+]1CCCCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029190207	0	58	0.0	-72.01	423.75	5.07	-66.94
CCC[N@H+]1CCCCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029190207	1	58	0.0	-72.51	420.71	5.25	-67.26
C[NH+]1CCN(CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029190217	1	54	0.0	-74.20	410.64	1.85	-72.35
CC1C[N@H+](C)CC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)O1	REAL300029190319	1	53	0.0	-78.98	399.24	3.23	-75.75
CC1C[N@@H+](C)CC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)O1	REAL300029190319	1	53	0.0	-88.57	403.03	3.63	-84.94
CCC1CCC[N@H+](CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029190352	0	58	0.0	-74.14	432.76	5.46	-68.68
CCC1CCC[N@@H+](CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029190352	1	58	0.0	-73.62	430.00	6.46	-67.16
C[NH+](C)CC1=CC=C(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)N1	REAL300029190361	0	53	0.0	-70.36	414.22	4.00	-66.36
O=C(C[NH+]1CC2CC2C1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029190376	0	50	0.0	-74.03	387.43	4.30	-69.73
O=C(CC1([NH+]2CCCC2)CC1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029190389	0	56	0.0	-71.48	416.72	5.13	-66.35
C[N@@H+]1CCCCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029190428	0	52	0.0	-70.41	389.54	4.91	-65.50
C[N@H+]1CCCCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029190428	1	52	0.0	-73.75	384.10	3.66	-70.09
C[N@@H+]1CCC(=CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029190551	0	50	0.0	-77.77	385.87	4.13	-73.64
C[N@H+]1CCC(=CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029190551	1	50	0.0	-77.69	385.87	4.15	-73.54
O=C(CNC1=CC=[NH+]C=C1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029190556	0	48	0.0	-74.82	384.34	1.88	-72.94
CC[NH+]1CCN(CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029190613	0	57	0.0	-73.19	427.88	2.49	-70.70
O=C(C=C1C[NH+]2CCC1CC2)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029190616	0	54	0.0	-68.09	404.47	5.74	-62.35
C[NH+](C)C1(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CCCC1	REAL300029190654	0	55	0.0	-78.55	392.07	3.94	-74.61
C[N@H+](CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[C@@H]1CCC[C@H]1O	REAL300029190665	0	56	0.0	-67.84	419.18	2.00	-65.84
C[N@@H+](CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[C@@H]1CCC[C@H]1O	REAL300029190665	1	56	0.0	-71.47	419.70	1.83	-69.64
CCC1C[NH+](CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029190671	0	52	0.0	-75.07	404.26	4.21	-70.86
O=C(NC1CCC2CN(C(=O)C3([NH+]4CCCC4)CCC3)CC21)C1=CC(=O)[N-]O1	REAL300029190675	0	56	0.0	-75.42	406.07	4.79	-70.63
C[N@@H+]1CCC[C@H]1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029190689	0	49	0.0	-70.53	375.31	3.26	-67.27
C[N@H+]1CCC[C@H]1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029190689	1	49	0.0	-72.81	367.19	3.07	-69.74
CC[N@@H+]1CCOCC1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029190720	0	56	0.0	-78.42	416.95	3.13	-75.29
NC1=NC2=CC(C(=O)N3CC4CCC(NC(=O)C5=CC(=O)[N-]O5)C4C3)=CC=C2N1	REAL300029190810	0	49	0.0	-77.70	392.91	3.26	-74.44
NC1=[NH+]C2=CC(C(=O)N3CC4CCC(NC(=O)C5=CC(=O)[N-]O5)C4C3)=CC=C2N1	REAL300029190810	1	49	0.0	-77.70	392.91	3.26	-74.44
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029190848	0	52	0.0	-75.28	401.21	4.10	-71.18
C[NH+](C)C1CCC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029190863	0	58	0.0	-69.97	420.61	4.85	-65.12
C[NH+](C)CCC1(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029190864	0	55	0.0	-75.08	424.83	4.82	-70.26
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029190866	0	58	0.0	-63.94	420.28	4.77	-59.17
C[N@@H+]1CC=CCC1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029190867	0	53	0.0	-66.67	398.61	4.48	-62.19
C[N@H+]1CC=CCC1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029190867	1	53	0.0	-64.87	395.12	5.37	-59.50
CC1=CC(C=CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=C[NH+]=C1N	REAL300029190917	1	52	0.0	-78.53	416.18	3.41	-75.12
C[NH+](C)CCOCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029190930	0	52	0.0	-74.51	407.46	3.49	-71.02
CCCCC[N@H+](C)CCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029190936	0	60	0.0	-78.03	456.18	5.89	-72.14
CCCCC[N@@H+](C)CCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029190936	1	60	0.0	-78.16	456.18	5.90	-72.26
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)O1	REAL300029190948	0	56	0.0	-76.29	427.30	4.48	-71.81
[NH2+]=C1SC=CN1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029190973	0	45	0.0	-69.61	379.18	2.59	-67.02
C[C@@H](OCC[NH+](C)C)C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029191047	0	55	0.0	-72.50	423.10	3.94	-68.56
O=C(CC[NH+]1CCCCCC1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029191091	0	58	0.0	-75.94	424.20	5.23	-70.71
C[N@@H+]1CCCC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029191097	0	52	0.0	-75.16	386.86	3.77	-71.39
C[N@H+]1CCCC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029191097	1	52	0.0	-75.16	386.86	3.77	-71.39
O=C(C[NH+]1CCCCCC1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029191101	0	55	0.0	-73.07	403.22	4.47	-68.60
CN1C=C[N+](CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=C1	REAL300029191106	0	47	0.0	-71.36	380.05	6.88	-64.48
CN(C)CC1=CC=C(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)O1	REAL300029191124	0	52	0.0	-84.46	413.11	4.23	-80.23
C[NH+](C)CC1=CC=C(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)O1	REAL300029191124	1	52	0.0	-84.46	413.11	4.23	-80.23
O=C(CN1CCC(O)CC1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029191144	0	53	0.0	-78.71	405.69	0.96	-77.75
O=C(C[NH+]1CCC(O)CC1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029191144	1	53	0.0	-78.71	405.69	0.96	-77.75
C[N@H+](CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C1CC1	REAL300029191149	0	49	0.0	-70.65	378.05	4.03	-66.62
CC(C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)N1CCN(C)CC1	REAL300029191151	0	57	0.0	-75.55	428.69	2.35	-73.20
CC(C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)N1CC[NH+](C)CC1	REAL300029191151	1	57	0.0	-75.55	428.69	2.35	-73.20
O=C(CC[N@H+]1CCC(F)C1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029191154	0	52	0.0	-80.53	406.07	4.19	-76.34
COC1C[N@H+](C)C(C)(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029191165	0	56	0.0	-65.47	410.52	3.08	-62.39
CC(CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C[NH+](C)C	REAL300029191185	0	54	0.0	-76.71	408.78	4.39	-72.32
O=C(NC1CCC2CN(C(=O)C3CC[N@@H+]4CCOCC34)CC21)C1=CC(=O)[N-]O1	REAL300029191201	0	54	0.0	-79.41	408.48	2.54	-76.87
O=C(NC1CCC2CN(C(=O)C3CC[N@H+]4CCOCC34)CC21)C1=CC(=O)[N-]O1	REAL300029191201	1	54	0.0	-79.41	408.48	2.54	-76.87
CN1CCOCC1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029191223	0	53	0.0	-81.43	401.98	2.19	-79.24
C[N@@H+]1CCOCC1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029191223	1	53	0.0	-82.86	399.18	3.22	-79.64
C[N@H+]1CCOCC1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029191223	1	53	0.0	-82.86	399.18	3.22	-79.64
CC1=CC(N)=NC=C1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029191286	0	48	0.0	-77.83	377.69	2.55	-75.28
CC1=CC(N)=[NH+]C=C1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029191286	1	48	0.0	-77.83	377.69	2.55	-75.28
CC1(O)CC[N@H+](CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029191330	0	53	0.0	-71.22	403.89	1.72	-69.50
C[NH+]1CC(CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029191365	0	49	0.0	-75.33	383.03	3.19	-72.14
O=C(NC1CCC2CN(C(=O)C3CC[N@@H+]3C3CCCC3)CC21)C1=CC(=O)[N-]O1	REAL300029191370	0	56	0.0	-74.70	419.70	5.35	-69.35
O=C(NC1CCC2CN(C(=O)C3CC[N@H+]3C3CCCC3)CC21)C1=CC(=O)[N-]O1	REAL300029191370	1	56	0.0	-74.70	419.70	5.35	-69.35
C[N@H+](CCO)CCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029191407	0	52	0.0	-75.51	402.02	0.36	-75.15
C[N@@H+](CCO)CCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029191407	1	52	0.0	-75.51	402.02	0.36	-75.15
C[N@@H+]1CCCCC1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029191430	0	55	0.0	-76.24	406.88	5.49	-70.75
C[N@H+]1CCCCC1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029191430	1	55	0.0	-76.24	406.88	5.49	-70.75
CC1=C2C=C(C(=O)N3CC4CCC(NC(=O)C5=CC(=O)[N-]O5)C4C3)C=CN2C=N1	REAL300029191452	0	50	0.0	-76.98	409.10	6.39	-70.59
CC1=C2C=C(C(=O)N3CC4CCC(NC(=O)C5=CC(=O)[N-]O5)C4C3)C=CN2C=[NH+]1	REAL300029191452	1	50	0.0	-76.98	409.10	6.39	-70.59
CC1CCN1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029191457	0	49	0.0	-71.78	377.66	3.17	-68.61
CC1CC[N@@H+]1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029191457	1	49	0.0	-72.14	380.01	3.69	-68.45
CC1CC[N@H+]1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029191457	1	49	0.0	-72.14	380.01	3.69	-68.45
C[NH+](C)CC=CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029191471	0	49	0.0	-79.36	385.11	3.83	-75.53
CC1(C)CN(CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029191484	0	52	0.0	-74.34	402.01	3.93	-70.41
CC1(C)C[NH+](CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029191484	1	52	0.0	-74.34	402.01	3.93	-70.41
CC1=C(C)NC(CCC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=N1	REAL300029191503	0	53	0.0	-69.93	421.82	3.67	-66.26
CC1=C(C)[NH+]=C(CCC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)N1	REAL300029191503	1	53	0.0	-69.93	421.82	3.67	-66.26
CC1=C2C=C(C(=O)N3CC4CCC(NC(=O)C5=CC(=O)[N-]O5)C4C3)C=CN2C=N1	REAL300029191514	0	50	0.0	-76.98	409.10	6.39	-70.59
CC1=C2C=C(C(=O)N3CC4CCC(NC(=O)C5=CC(=O)[N-]O5)C4C3)C=CN2C=[NH+]1	REAL300029191514	1	50	0.0	-76.98	409.10	6.39	-70.59
C[NH+](C)CCSCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029191524	0	52	0.0	-80.77	418.49	4.32	-76.45
O=C(C[N@H+]1CCCC1CO)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029191550	0	53	0.0	-70.22	397.37	0.90	-69.32
CC[NH+](CC)CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029191554	0	51	0.0	-71.62	380.65	4.44	-67.18
C[N@H+](CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C1CCSC1	REAL300029191565	0	53	0.0	-76.95	408.10	5.61	-71.34
O=C(CN1CCC1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029191567	0	46	0.0	-74.41	362.19	2.83	-71.58
O=C(C[NH+]1CCC1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029191567	1	46	0.0	-74.41	362.19	2.83	-71.58
CC[NH+](CC)CCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029191618	0	54	0.0	-75.76	406.70	5.30	-70.46
O=C(NC1CCC2CN(C(=O)C3CC4COCC[N@@H+]4C3)CC21)C1=CC(=O)[N-]O1	REAL300029191710	0	54	0.0	-73.14	403.55	2.78	-70.36
O=C(NC1CCC2CN(C(=O)C3CC4COCC[N@H+]4C3)CC21)C1=CC(=O)[N-]O1	REAL300029191710	1	54	0.0	-73.14	403.55	2.78	-70.36
CC(C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)N1CCC1	REAL300029191725	0	49	0.0	-71.44	375.27	3.08	-68.36
CC(C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+]1CCC1	REAL300029191725	1	49	0.0	-71.44	375.27	3.08	-68.36
CCC(CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C[NH+](C)C	REAL300029191732	0	57	0.0	-77.33	423.41	4.88	-72.45
C[NH+](C)CC(C)(C)C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029191740	0	54	0.0	-75.29	393.50	3.55	-71.74
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029191804	0	52	0.0	-70.44	392.33	3.90	-66.54
CC1CN2CC[N@@H+]1CC2C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029191819	0	55	0.0	-81.00	397.46	1.23	-79.77
C[NH+](C)CC(O)CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029191840	0	52	0.0	-80.48	404.30	1.39	-79.09
C[NH+]1C2CCC1CC(C(=O)N1CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C1)C2	REAL300029191843	0	56	0.0	-76.18	408.34	4.40	-71.78
C=CCC(C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300029191876	0	52	0.0	-68.07	390.30	4.71	-63.36
O=C(NC1CCC2CN(C(=O)C3CC4CCCC[N@@H+]4C3)CC21)C1=CC(=O)[N-]O1	REAL300029191886	0	56	0.0	-71.18	411.71	5.88	-65.30
O=C(NC1CCC2CN(C(=O)C3CC4CCCC[N@H+]4C3)CC21)C1=CC(=O)[N-]O1	REAL300029191886	1	56	0.0	-71.92	415.11	4.96	-66.96
C[NH+]1CCC(C)(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029191897	0	55	0.0	-72.63	395.81	4.08	-68.55
C[NH+]1CCC(O)(CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029191899	0	56	0.0	-75.57	419.39	2.97	-72.60
CC1=C2C=C(C(=O)NC3CCC4CN(C(=O)C5=CC(=O)[N-]O5)CC43)C=CN2C=[NH+]1	REAL300029191981	1	50	0.0	-75.73	401.18	6.35	-69.38
C[NH+](C)CCSCC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029191990	0	52	0.0	-73.59	412.81	4.39	-69.20
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CC2COCC[N@@H+]2C1	REAL300029191998	0	54	0.0	-72.11	407.46	2.66	-69.45
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CC2COCC[N@H+]2C1	REAL300029191998	1	54	0.0	-73.83	407.55	2.63	-71.20
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1CCC[N@@H+]1C	REAL300029192161	0	51	0.0	-71.54	374.61	3.58	-67.96
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1CCC[N@H+]1C	REAL300029192161	1	51	0.0	-74.29	365.42	3.10	-71.19
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1C[N@H+](C)CCO1	REAL300029192185	1	52	0.0	-71.23	384.42	3.11	-68.12
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1C[N@@H+](C)CCO1	REAL300029192185	1	52	0.0	-90.84	393.39	3.55	-87.29
CC(C(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C)[NH+]1CCCCCC1	REAL300029192341	0	60	0.0	-71.74	424.93	5.58	-66.16
CC(C)[N@@H+]1CCCC1C(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029192360	0	57	0.0	-61.25	403.96	4.92	-56.33
CC(C)[N@H+]1CCCC1C(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029192360	1	57	0.0	-61.27	403.42	4.92	-56.35
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300029192373	0	58	0.0	-60.11	422.15	5.59	-54.52
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1CC2CCCC[N@H+]2C1	REAL300029192373	1	58	0.0	-73.53	423.36	5.85	-67.68
CC(C)C1=[NH+]C=CN1CC(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029192392	1	55	0.0	-69.98	413.73	5.26	-64.72
CC1=[NH+]C=CN1CC(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029192418	1	49	0.0	-58.88	383.48	4.42	-54.46
CC(C[NH+]1CCOCC1)C(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029192419	0	58	0.0	-63.26	425.41	3.53	-59.73
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CCC[NH+]1CCCCC1	REAL300029192432	0	60	0.0	-77.38	441.59	6.35	-71.03
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1C[NH+]2CCC1CC2	REAL300029192455	0	55	0.0	-55.19	395.38	4.61	-50.58
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1CCCC2CCC[N@@H+]21	REAL300029192492	0	58	0.0	-68.53	420.38	5.86	-62.67
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1CCCC2CCC[N@H+]21	REAL300029192492	1	58	0.0	-67.79	412.67	5.34	-62.45
C[C@@H]1[C@H](C(=O)NC2C(C)CCN(C(=O)C3=CC(=O)[N-]O3)C2C)CC[N@@H+]1C	REAL300029192504	0	54	0.0	-77.59	380.00	3.81	-73.78
C[C@@H]1[C@H](C(=O)NC2C(C)CCN(C(=O)C3=CC(=O)[N-]O3)C2C)CC[N@H+]1C	REAL300029192504	1	54	0.0	-79.92	385.53	4.05	-75.87
CC[C@@H]1[C@@H](C(=O)NC2C(C)CCN(C(=O)C3=CC(=O)[N-]O3)C2C)CC[N@@H+]1C	REAL300029192507	0	57	0.0	-64.15	398.08	4.35	-59.80
CC[C@@H]1[C@@H](C(=O)NC2C(C)CCN(C(=O)C3=CC(=O)[N-]O3)C2C)CC[N@H+]1C	REAL300029192507	1	57	0.0	-56.45	405.47	5.06	-51.39
CC[N@@H+]1CCOC(C(=O)NC2C(C)CCN(C(=O)C3=CC(=O)[N-]O3)C2C)C1	REAL300029192515	1	55	0.0	-70.34	402.40	3.86	-66.48
CC[N@H+]1CCOC(C(=O)NC2C(C)CCN(C(=O)C3=CC(=O)[N-]O3)C2C)C1	REAL300029192515	1	55	0.0	-76.80	392.60	3.53	-73.27
CC[NH+](CC)CC(F)C(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029192546	0	56	0.0	-76.21	411.11	4.49	-71.72
CC1CCC(C)[NH+]1CC(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029192597	0	57	0.0	-72.98	412.88	5.01	-67.97
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CCC[NH+]1CCCC1	REAL300029192603	0	57	0.0	-75.24	417.98	5.03	-70.21
C#CC[NH+]1CCC(C(=O)NC2C(C)CCN(C(=O)C3=CC(=O)[N-]O3)C2C)CC1	REAL300029192607	0	56	0.0	-63.32	413.84	5.58	-57.74
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CC[NH+]1CCCCC1	REAL300029192608	0	57	0.0	-77.41	419.76	5.42	-71.99
CC(C)C[N@@H+]1CCC(C(=O)NC2C(C)CCN(C(=O)C3=CC(=O)[N-]O3)C2C)C1	REAL300029192626	0	60	0.0	-73.86	432.85	5.62	-68.24
CC(C)C[N@H+]1CCC(C(=O)NC2C(C)CCN(C(=O)C3=CC(=O)[N-]O3)C2C)C1	REAL300029192626	1	60	0.0	-58.85	438.65	5.87	-52.98
CC(C)[N@@H+]1CCCC1CC(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029192631	0	60	0.0	-56.56	413.08	5.32	-51.24
CC(C)[N@H+]1CCCC1CC(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029192631	1	60	0.0	-73.69	429.29	5.26	-68.43
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C[N@H+](C)C1CCC1	REAL300029192675	0	54	0.0	-73.99	402.29	5.12	-68.87
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C[N@@H+](C)C1CCC1	REAL300029192675	1	54	0.0	-73.36	402.15	5.11	-68.25
CC(C(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C)[NH+]1C(C)CCC1C	REAL300029192721	0	60	0.0	-70.03	426.00	5.43	-64.60
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CCC1CCC[N@@H+]1C	REAL300029192780	0	57	0.0	-61.67	405.95	4.85	-56.82
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CCC1CCC[N@H+]1C	REAL300029192780	1	57	0.0	-59.21	421.58	5.31	-53.90
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1CCC2CCCC[N@@H+]21	REAL300029192789	0	58	0.0	-70.71	423.87	6.10	-64.61
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1CCC2CCCC[N@H+]21	REAL300029192789	1	58	0.0	-58.18	414.77	5.27	-52.91
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CCCC[NH+]1CCCC1	REAL300029192803	0	60	0.0	-75.89	439.47	5.81	-70.08
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1CC[NH+](C)CC1	REAL300029192814	0	54	0.0	-67.53	398.67	4.46	-63.07
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1=NOC(C[NH+](C)C)=C1	REAL300029192837	1	53	0.0	-72.26	412.13	3.77	-68.49
CC1=C(C(=O)NC2C(C)CCN(C(=O)C3=CC(=O)[N-]O3)C2C)C=CC2=C[NH+]=CN21	REAL300029192838	0	52	0.0	-76.50	399.82	6.87	-69.63
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300029192963	0	49	0.0	-64.81	384.23	6.31	-58.50
CC1=[NH+]C=CN1CCCC(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029192971	1	55	0.0	-58.63	415.09	5.61	-53.02
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CC[NH+]1CCOCC1	REAL300029192976	1	55	0.0	-80.72	411.02	3.00	-77.72
CC1=C[NH+]=CN1CC(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029193000	1	49	0.0	-62.57	383.82	5.14	-57.43
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1CCCC([NH+](C)C)C1	REAL300029193051	0	60	0.0	-62.38	426.65	5.58	-56.80
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CC1CC[N@H+](C)C1	REAL300029193054	0	54	0.0	-80.20	402.52	4.72	-75.48
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CC1CC[N@@H+](C)C1	REAL300029193054	1	54	0.0	-77.45	395.04	4.23	-73.22
CCC(C(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C)[NH+](C)C	REAL300029193069	0	53	0.0	-55.19	371.94	3.68	-51.51
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CC1([NH+](C)C)CCCC1	REAL300029193081	0	60	0.0	-62.63	417.88	5.22	-57.41
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300029193112	1	49	0.0	-67.46	384.50	6.31	-61.15
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CCCC[NH+](C)C	REAL300029193157	0	56	0.0	-64.42	409.48	4.85	-59.57
CCC[N@H+](C)CCC(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029193175	0	56	0.0	-62.08	406.05	4.81	-57.27
CCC[N@@H+](C)CCC(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029193175	1	56	0.0	-62.32	406.05	4.82	-57.50
CCC[N@H+](C)CC(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029193179	0	53	0.0	-58.60	383.34	4.13	-54.47
CCC[N@@H+](C)CC(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029193179	1	53	0.0	-76.02	395.29	4.53	-71.49
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C12CC[N@H+](C1)CCC2	REAL300029193197	0	55	0.0	-78.15	397.74	4.35	-73.80
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C12CC[N@@H+](C1)CCC2	REAL300029193197	1	55	0.0	-65.88	396.09	4.15	-61.73
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)[C@H]1CCC[N@@H+]1C	REAL300029193228	0	51	0.0	-59.43	380.43	3.89	-55.54
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)[C@H]1CCC[N@H+]1C	REAL300029193228	1	51	0.0	-74.76	375.76	3.55	-71.21
CCCCCC[N@H+](C)CC(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029193275	0	62	0.0	-77.19	459.78	6.88	-70.31
CCCCCC[N@@H+](C)CC(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029193275	1	62	0.0	-59.71	447.84	6.48	-53.23
CC[NH+](CC)CC(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029193286	0	53	0.0	-56.56	379.53	4.07	-52.49
CCC[N@@H+]1CCCC(C(=O)NC2C(C)CCN(C(=O)C3=CC(=O)[N-]O3)C2C)C1	REAL300029193312	0	60	0.0	-76.05	439.66	6.04	-70.01
CCC[N@H+]1CCCC(C(=O)NC2C(C)CCN(C(=O)C3=CC(=O)[N-]O3)C2C)C1	REAL300029193312	1	60	0.0	-67.41	421.88	5.62	-61.79
CC(C)[N@@H+]1CCOC(C(=O)NC2C(C)CCN(C(=O)C3=CC(=O)[N-]O3)C2C)C1	REAL300029193323	1	58	0.0	-59.97	416.41	4.38	-55.59
CC(C)[N@H+]1CCOC(C(=O)NC2C(C)CCN(C(=O)C3=CC(=O)[N-]O3)C2C)C1	REAL300029193323	1	58	0.0	-50.05	409.75	4.05	-46.00
CC1CC[NH+](CC(=O)NC2C(C)CCN(C(=O)C3=CC(=O)[N-]O3)C2C)CC1	REAL300029193351	0	57	0.0	-59.99	416.96	5.39	-54.60
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)COC1CC[NH+](C)CC1	REAL300029193372	0	58	0.0	-69.32	434.02	4.88	-64.44
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1(C[NH+](C)C)CC1	REAL300029193382	0	54	0.0	-48.89	390.65	4.87	-44.02
CC(C)[NH+]1CCC(C(=O)NC2C(C)CCN(C(=O)C3=CC(=O)[N-]O3)C2C)CC1	REAL300029193444	0	60	0.0	-57.72	419.34	5.34	-52.38
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1CC[NH+](C)CC1	REAL300029193459	0	54	0.0	-67.53	398.67	4.46	-63.07
CCC(C(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C)[NH+](CC)CC	REAL300029193489	0	59	0.0	-55.35	407.19	4.79	-50.56
CC[N@H+](C)CCC(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029193541	0	53	0.0	-61.60	384.56	4.06	-57.54
CC[N@@H+](C)CCC(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029193541	1	53	0.0	-61.82	384.56	4.07	-57.75
CC1CCC[N@@H+]1CC(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029193586	0	54	0.0	-71.12	387.17	3.99	-67.13
CC1CCC[N@H+]1CC(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029193586	1	54	0.0	-73.28	400.76	4.71	-68.57
CC1CC[N@H+](CC(=O)NC2C(C)CCN(C(=O)C3=CC(=O)[N-]O3)C2C)C1	REAL300029193588	0	54	0.0	-58.23	400.20	4.55	-53.68
CC1CC[N@@H+](CC(=O)NC2C(C)CCN(C(=O)C3=CC(=O)[N-]O3)C2C)C1	REAL300029193588	1	54	0.0	-58.68	400.04	4.57	-54.11
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C[N@@H+]1CCC(C)(C)C1	REAL300029193591	0	57	0.0	-75.68	421.23	5.26	-70.42
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C[N@H+]1CCC(C)(C)C1	REAL300029193591	1	57	0.0	-57.59	409.58	4.99	-52.60
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C[N@H+](C)CC(C)(C)C	REAL300029193592	0	59	0.0	-75.98	425.64	5.59	-70.39
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C[N@@H+](C)CC(C)(C)C	REAL300029193592	1	59	0.0	-58.04	411.19	5.11	-52.93
CC[C@@H](C(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C)[NH+](C)C	REAL300029193599	0	53	0.0	-59.17	383.65	3.88	-55.29
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CC1(O)CC[NH+](C)CC1	REAL300029193736	0	58	0.0	-77.77	426.78	3.51	-74.26
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C[NH+](C)C	REAL300029193746	0	47	0.0	-75.36	348.09	2.49	-72.87
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C[NH+]1CCC(CO)CC1	REAL300029193749	1	58	0.0	-79.64	429.59	2.19	-77.45
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C[NH+]1CCCCCC1	REAL300029193750	0	57	0.0	-57.96	395.56	4.89	-53.07
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C[N+]1=CN(C)C=C1	REAL300029193754	0	49	0.0	-55.75	375.35	6.23	-49.52
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1CCC[N@H+](C)C1	REAL300029193760	0	54	0.0	-67.09	386.84	4.47	-62.62
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1CCC[N@@H+](C)C1	REAL300029193760	1	54	0.0	-55.38	391.00	4.64	-50.74
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1CCC[N@@H+]1C1CC1	REAL300029193764	0	55	0.0	-78.48	389.55	5.10	-73.38
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1CCC[N@H+]1C1CC1	REAL300029193764	1	55	0.0	-55.83	392.92	5.01	-50.82
CC(C(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C)[NH+]1CCC1	REAL300029193786	1	51	0.0	-58.99	382.25	3.88	-55.11
CCC(CC(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C)C[NH+](C)C	REAL300029193791	0	59	0.0	-81.59	422.88	5.10	-76.49
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C[NH+]1CCC(O)CC1	REAL300029193817	1	55	0.0	-80.59	400.66	1.01	-79.58
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C[N@H+](C)C1CC1	REAL300029193818	0	51	0.0	-57.64	383.47	4.20	-53.44
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C[N@@H+](C)C1CC1	REAL300029193818	1	51	0.0	-72.75	385.02	4.41	-68.34
CC(C(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C)N1CC[NH+](C)CC1	REAL300029193819	1	59	0.0	-66.42	425.01	2.62	-63.80
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CC1C[NH+](C)C1	REAL300029193834	0	51	0.0	-60.72	385.50	3.62	-57.10
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1CC[N@@H+]1C1CCCC1	REAL300029193838	0	58	0.0	-60.11	403.03	5.04	-55.07
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1CC[N@H+]1C1CCCC1	REAL300029193838	1	58	0.0	-61.35	403.89	5.69	-55.66
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300029193845	0	57	0.0	-72.48	386.96	3.69	-68.79
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1CC[N@H+]1C(C)(C)C	REAL300029193845	1	57	0.0	-55.80	399.06	3.97	-51.83
C[C@@H](C(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C)[NH+](C)C	REAL300029193856	0	50	0.0	-73.93	373.80	3.42	-70.51
CCC1CCC[N@H+](CC(=O)NC2C(C)CCN(C(=O)C3=CC(=O)[N-]O3)C2C)C1	REAL300029193890	0	60	0.0	-72.77	421.82	5.20	-67.57
CCC1CCC[N@@H+](CC(=O)NC2C(C)CCN(C(=O)C3=CC(=O)[N-]O3)C2C)C1	REAL300029193890	1	60	0.0	-75.85	422.18	5.60	-70.25
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1=CC=C(C[NH+](C)C)N1	REAL300029193897	0	55	0.0	-65.80	420.90	3.98	-61.82
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CN1C=CSC1=[NH2+]	REAL300029193930	0	47	0.0	-69.96	375.65	2.86	-67.10
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CC[N@H+](C)CCO	REAL300029193938	0	54	0.0	-63.02	394.91	0.85	-62.17
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CC[N@@H+](C)CCO	REAL300029193938	1	54	0.0	-60.73	394.94	0.83	-59.90
C[C@@H](C(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C)[NH+](C)C	REAL300029193939	0	50	0.0	-73.93	373.80	3.42	-70.51
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)[C@H]1CCCC[N@@H+]1C	REAL300029193943	0	54	0.0	-72.56	398.65	4.66	-67.90
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)[C@H]1CCCC[N@H+]1C	REAL300029193943	1	54	0.0	-72.78	388.46	4.54	-68.24
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1C[N@@H+]2CCN1CC2C	REAL300029193949	0	57	0.0	-68.32	395.57	1.67	-66.65
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1C[N@H+]2CCN1CC2C	REAL300029193949	1	57	0.0	-67.95	395.69	1.54	-66.41
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CC1=CC2=C[NH+]=CN2C=C1	REAL300029193988	0	52	0.0	-63.22	398.52	6.91	-56.31
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C[N@H+](C)C1CCSC1	REAL300029194009	0	55	0.0	-64.62	403.45	4.95	-59.67
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C[N@@H+](C)C1CCSC1	REAL300029194009	1	55	0.0	-79.83	407.92	4.93	-74.90
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C=C1CC[N@H+](C)C1	REAL300029194035	0	52	0.0	-77.74	387.17	4.07	-73.67
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C=C1CC[N@@H+](C)C1	REAL300029194035	1	52	0.0	-66.31	393.04	4.35	-61.96
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)COCC[NH+](C)C	REAL300029194062	0	54	0.0	-74.18	403.94	3.46	-70.72
CCCCC[N@H+](C)CCC(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029194068	0	62	0.0	-62.91	449.05	6.37	-56.54
CCCCC[N@@H+](C)CCC(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029194068	1	62	0.0	-63.22	449.05	6.38	-56.84
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300029194076	0	58	0.0	-64.47	422.88	4.70	-59.77
C=CCC(C)(C(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C)[NH+](C)C	REAL300029194083	0	57	0.0	-54.58	398.43	4.71	-49.87
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C(O)CC[S+](C)C	REAL300029194088	0	53	0.0	-81.73	413.00	2.06	-79.67
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1CN(C)CC[N@H+](C)C1	REAL300029194117	0	59	0.0	-58.72	425.45	2.68	-56.04
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1CN(C)CC[N@@H+](C)C1	REAL300029194117	1	59	0.0	-58.72	425.45	2.68	-56.04
CC(C(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C)N1CCCC(O)C1	REAL300029194118	0	58	0.0	-74.58	419.24	1.42	-73.16
CC(C(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C)[N@@H+]1CCCC(O)C1	REAL300029194118	1	58	0.0	-55.57	423.46	2.00	-53.57
CC(C(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C)[N@H+]1CCCC(O)C1	REAL300029194118	1	58	0.0	-55.57	423.46	2.00	-53.57
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CN1CCC(CO)CC1	REAL300029194127	0	58	0.0	-79.64	429.59	2.19	-77.45
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C[NH+]1CCC(CO)CC1	REAL300029194127	1	58	0.0	-79.64	429.59	2.19	-77.45
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CC1(O)CCC[N@H+](C)C1	REAL300029194136	0	58	0.0	-68.57	408.15	2.55	-66.02
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CC1(O)CCC[N@@H+](C)C1	REAL300029194136	1	58	0.0	-68.57	408.15	2.55	-66.02
CC1CN(CC(=O)NC2C(C)CCN(C(=O)C3=CC(=O)[N-]O3)C2C)C1	REAL300029194139	0	51	0.0	-59.42	385.34	3.89	-55.53
CC1C[NH+](CC(=O)NC2C(C)CCN(C(=O)C3=CC(=O)[N-]O3)C2C)C1	REAL300029194139	1	51	0.0	-59.42	385.34	3.89	-55.53
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CN(C)CCO	REAL300029194164	0	51	0.0	-77.09	384.14	0.56	-76.53
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C[N@H+](C)CCO	REAL300029194164	1	51	0.0	-57.83	371.96	0.16	-57.67
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C[N@@H+](C)CCO	REAL300029194164	1	51	0.0	-57.83	371.96	0.16	-57.67
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1C[N@@H+]2CCN1CCC2	REAL300029194183	0	57	0.0	-72.81	402.49	2.22	-70.59
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1C[N@H+]2CCN1CCC2	REAL300029194183	1	57	0.0	-72.81	402.49	2.22	-70.59
CC[N@@H+]1CCCC(C(=O)NC2C(C)CCN(C(=O)C3=CC(=O)[N-]O3)C2C)C1	REAL300029194187	0	57	0.0	-73.87	410.46	4.79	-69.08
CC[N@H+]1CCCC(C(=O)NC2C(C)CCN(C(=O)C3=CC(=O)[N-]O3)C2C)C1	REAL300029194187	1	57	0.0	-73.87	410.46	4.79	-69.08
CC(CC(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C)C[NH+](C)C	REAL300029194189	0	56	0.0	-76.40	405.34	4.49	-71.91
CC[N@H+](C)CC(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029194199	0	50	0.0	-75.72	373.79	3.79	-71.93
CC[N@H+](CC(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C)C1CC1	REAL300029194239	0	54	0.0	-73.43	401.74	4.96	-68.47
CC[NH+](CC)CCC(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029194253	0	56	0.0	-59.72	401.72	4.62	-55.10
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CN1CCC(C)(O)C1	REAL300029194295	0	55	0.0	-59.79	410.15	1.22	-58.57
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C[N@@H+]1CCC(C)(O)C1	REAL300029194295	1	55	0.0	-58.26	410.16	1.24	-57.02
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C[N@H+]1CCC(C)(O)C1	REAL300029194295	1	55	0.0	-58.26	410.16	1.24	-57.02
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C=CC[NH+](C)C	REAL300029194301	0	51	0.0	-65.98	380.08	3.95	-62.03
CC(OCC[NH+](C)C)C(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029194317	0	57	0.0	-62.71	419.78	4.35	-58.36
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CCOCC[NH+](C)C	REAL300029194325	0	57	0.0	-64.35	420.95	3.51	-60.84
COCCN(C)CC(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029194326	0	54	0.0	-57.36	394.21	2.57	-54.79
COCC[N@H+](C)CC(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029194326	1	54	0.0	-77.48	406.39	2.96	-74.52
COCC[N@@H+](C)CC(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029194326	1	54	0.0	-77.48	406.39	2.96	-74.52
CC(CCC(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C)[NH+](C)C	REAL300029194356	0	56	0.0	-58.09	397.20	4.42	-53.67
CCN1CCC1C(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029194363	0	51	0.0	-59.89	386.04	3.88	-56.01
CC[N@@H+]1CCC1C(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029194363	1	51	0.0	-58.45	368.89	3.39	-55.06
CC[N@H+]1CCC1C(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029194363	1	51	0.0	-58.45	368.89	3.39	-55.06
CC(C)[N@@H+]1CCCC(C(=O)NC2C(C)CCN(C(=O)C3=CC(=O)[N-]O3)C2C)C1	REAL300029194372	0	60	0.0	-66.89	420.83	5.50	-61.39
CC(C)[N@H+]1CCCC(C(=O)NC2C(C)CCN(C(=O)C3=CC(=O)[N-]O3)C2C)C1	REAL300029194372	1	60	0.0	-66.89	420.83	5.50	-61.39
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C[N@@H+]1CCCC1CO	REAL300029194384	0	55	0.0	-59.17	394.16	0.90	-58.27
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300029194403	0	58	0.0	-73.53	423.36	5.85	-67.68
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1CC2CCCC[N@H+]2C1	REAL300029194403	1	58	0.0	-73.53	423.36	5.85	-67.68
CC(C(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C)N1CCC(O)CC1	REAL300029194420	0	58	0.0	-76.74	418.55	1.57	-75.17
CC(C(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C)[NH+]1CCC(O)CC1	REAL300029194420	1	58	0.0	-76.74	418.55	1.57	-75.17
C=CCC(C(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C)[NH+](C)C	REAL300029194428	0	54	0.0	-55.90	385.38	4.22	-51.68
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1CC(C)(C)C[N@@H+]1C	REAL300029194434	0	57	0.0	-72.37	417.76	5.14	-67.23
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CCCCC[NH+](C)C	REAL300029194438	0	59	0.0	-65.51	430.98	5.63	-59.88
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1C[N@@H+]2CCN1C(C)C2	REAL300029194471	0	57	0.0	-84.37	401.30	1.43	-82.94
CCCC(C(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C)[NH+](C)C	REAL300029194472	0	56	0.0	-61.77	396.04	4.51	-57.26
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1CCCC[N@@H+]1C	REAL300029194506	0	54	0.0	-57.62	386.66	4.35	-53.27
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CC1=CC[N@H+](C)CC1	REAL300029194536	0	55	0.0	-63.99	413.57	5.23	-58.76
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CC1=CC[N@@H+](C)CC1	REAL300029194536	1	55	0.0	-63.99	413.57	5.23	-58.76
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CC1([NH+]2CCCC2)CC1	REAL300029194543	0	58	0.0	-73.49	421.12	5.87	-67.62
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1=CC=C(CN(C)C)O1	REAL300029194582	0	54	0.0	-64.53	417.54	4.51	-60.02
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1=CC=C(C[NH+](C)C)O1	REAL300029194582	1	54	0.0	-64.53	417.54	4.51	-60.02
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C=CC[NH+]1CCCC1	REAL300029194596	0	55	0.0	-64.22	406.42	5.16	-59.06
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1CC[NH+](C2CC2)CC1	REAL300029194614	0	58	0.0	-79.55	425.47	5.98	-73.57
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CC[NH+]1CCCC1	REAL300029194629	0	54	0.0	-77.57	404.09	4.72	-72.85
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C[N@@H+]1CC2CCC1C2	REAL300029194678	0	55	0.0	-58.16	390.94	4.94	-53.22
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C=C1C[NH+]2CCC1CC2	REAL300029194715	0	56	0.0	-62.10	400.50	5.16	-56.94
CC(C[NH+](C)C)C(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029194759	0	53	0.0	-67.95	385.97	3.88	-64.07
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CC1CCCC[N@@H+]1C	REAL300029194820	0	57	0.0	-58.82	404.83	5.00	-53.82
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CC1CCCC[N@H+]1C	REAL300029194820	1	57	0.0	-58.82	404.83	5.00	-53.82
CC1=C2C=C(C(=O)NC3C(C)CCN(C(=O)C4=CC(=O)[N-]O4)C3C)C=CN2C=N1	REAL300029194833	0	52	0.0	-65.22	406.41	6.88	-58.34
CC1=C2C=C(C(=O)NC3C(C)CCN(C(=O)C4=CC(=O)[N-]O4)C3C)C=CN2C=[NH+]1	REAL300029194833	1	52	0.0	-65.22	406.41	6.88	-58.34
CC(C(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C)N1CC(C)C1	REAL300029194834	0	54	0.0	-58.16	392.08	4.46	-53.70
CC(C(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C)[NH+]1CC(C)C1	REAL300029194834	1	54	0.0	-58.16	392.08	4.46	-53.70
CC1CCN1CC(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029194837	0	51	0.0	-75.24	387.38	4.21	-71.03
CC1CC[N@@H+]1CC(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029194837	1	51	0.0	-56.98	385.41	3.90	-53.08
CC1CC[N@H+]1CC(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029194837	1	51	0.0	-56.98	385.41	3.90	-53.08
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CC(O)C[NH+](C)C	REAL300029194840	0	54	0.0	-80.12	400.76	1.47	-78.65
CC1C[N@H+](C)CC(C(=O)NC2C(C)CCN(C(=O)C3=CC(=O)[N-]O3)C2C)O1	REAL300029194862	1	55	0.0	-71.96	396.26	3.92	-68.04
CC1C[N@@H+](C)CC(C(=O)NC2C(C)CCN(C(=O)C3=CC(=O)[N-]O3)C2C)O1	REAL300029194862	1	55	0.0	-73.02	395.72	3.51	-69.51
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CC[NH+]1CCC(O)CC1	REAL300029194871	0	58	0.0	-79.61	422.94	1.58	-78.03
CCC[N@@H+]1CCCCC1C(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029194873	0	60	0.0	-71.30	420.31	5.44	-65.86
CCC[N@H+]1CCCCC1C(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029194873	1	60	0.0	-61.07	419.00	5.57	-55.50
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300029194937	0	54	0.0	-59.21	403.97	4.65	-54.56
CC(CC[NH+](C)C)C(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029194945	0	56	0.0	-64.09	404.16	4.62	-59.47
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300029194961	0	58	0.0	-73.62	426.75	2.51	-71.11
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O	REAL300029194961	1	58	0.0	-71.45	419.54	1.84	-69.61
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CN1CC[NH+](C)CC1	REAL300029194969	1	56	0.0	-64.98	403.18	2.23	-62.75
CC[NH+]1CCN(CC(=O)NC2C(C)CCN(C(=O)C3=CC(=O)[N-]O3)C2C)CC1	REAL300029194978	0	59	0.0	-63.54	420.42	2.87	-60.67
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CSC(N)=[NH2+]	REAL300029194999	0	45	0.0	-77.77	356.68	-0.64	-78.41
CC[N@@H+]1CCOCC1CC(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029195030	0	58	0.0	-79.78	416.61	3.08	-76.70
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1CCC([NH+](C)C)CC1	REAL300029195043	0	60	0.0	-68.50	426.38	5.49	-63.01
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300029195045	0	60	0.0	-50.47	424.36	5.46	-45.01
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CC1CC=CC[N@@H+]1C	REAL300029195046	0	55	0.0	-79.34	399.77	4.68	-74.66
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CC1CC=CC[N@H+]1C	REAL300029195046	1	55	0.0	-79.34	399.77	4.68	-74.66
C[C@@H](OCC[NH+](C)C)C(=O)NC1C(C)CCN(C(=O)C2=CC(=O)[N-]O2)C1C	REAL300029195066	0	57	0.0	-74.09	431.41	4.74	-69.35
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1CC2CCC(C1)[NH+]2C	REAL300029195086	0	58	0.0	-64.15	390.09	4.95	-59.20
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)[C@@H]1CCC[N@H+]1C	REAL300029195181	1	51	0.0	-57.31	370.25	3.89	-53.42
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CC[N@H+]1CCC(F)C1	REAL300029195188	1	54	0.0	-81.12	410.00	4.83	-76.29
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CC[NH+]1CCCCCC1	REAL300029195203	0	60	0.0	-79.53	429.77	5.62	-73.91
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C[NH+]1CCCCC1	REAL300029195205	0	54	0.0	-59.46	396.09	4.78	-54.68
CC1C(C(=O)NC2C(C)CCN(C(=O)C3=CC(=O)[N-]O3)C2C)CC[N@@H+]1C	REAL300029195213	0	54	0.0	-77.20	386.02	3.97	-73.23
CC1C(C(=O)NC2C(C)CCN(C(=O)C3=CC(=O)[N-]O3)C2C)CC[N@H+]1C	REAL300029195213	1	54	0.0	-74.12	389.52	3.74	-70.38
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CCC1CCCC[N@@H+]1C	REAL300029195215	0	60	0.0	-80.88	430.05	5.83	-75.05
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CCC1CCCC[N@H+]1C	REAL300029195215	1	60	0.0	-78.56	422.55	5.40	-73.16
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1CC[N@@H+]2CCOCC12	REAL300029195239	0	56	0.0	-72.85	410.71	3.34	-69.51
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1CC[N@H+]2CCOCC12	REAL300029195239	1	56	0.0	-66.57	413.99	3.24	-63.33
CC1=[NH+]C=C2C=CC(C(=O)NC3C(C)CCN(C(=O)C4=CC(=O)[N-]O4)C3C)=CN21	REAL300029195244	0	52	0.0	-74.31	407.34	6.29	-68.02
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CC1COCCN1C	REAL300029195258	0	55	0.0	-71.84	398.95	2.69	-69.15
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CC1COCC[N@@H+]1C	REAL300029195258	1	55	0.0	-69.36	391.36	2.18	-67.18
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CC1COCC[N@H+]1C	REAL300029195258	1	55	0.0	-71.84	398.95	2.69	-69.15
CC1=C(C)[NH+]=C(CCC(=O)NC2C(C)CCN(C(=O)C3=CC(=O)[N-]O3)C2C)N1	REAL300029195266	1	55	0.0	-70.09	418.82	3.96	-66.13
CC1CCN(C(=O)C2CCC[N@H+]2C)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029195433	1	51	0.0	-65.20	371.30	4.26	-60.94
CC1=[NH+]C=CN1CCCC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029195617	1	55	0.0	-74.09	429.91	6.20	-67.89
CC1CCN(C(=O)CC[NH+]2CCOCC2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029195622	1	55	0.0	-80.54	414.21	3.32	-77.22
CC1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029195647	1	49	0.0	-81.88	380.71	5.99	-75.89
CC1CCN(C(=O)C2CCCC([NH+](C)C)C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029195693	0	60	0.0	-62.37	417.38	5.87	-56.50
CC1CCN(C(=O)CC2CC[N@H+](C)C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029195696	0	54	0.0	-80.31	405.32	4.91	-75.40
CC1CCN(C(=O)CC2CC[N@@H+](C)C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029195696	1	54	0.0	-74.66	404.25	4.70	-69.96
CCC(C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C)[NH+](C)C	REAL300029195711	0	53	0.0	-70.80	379.99	3.58	-67.22
CC1CCN(C(=O)CCCC[NH+](C)C)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029195767	0	56	0.0	-79.81	424.30	5.45	-74.36
CCC[N@H+](C)CCC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029195787	0	56	0.0	-76.89	413.04	4.79	-72.10
CCC[N@@H+](C)CCC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029195787	1	56	0.0	-76.83	413.03	4.80	-72.03
CCC[N@H+](C)CC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029195791	0	53	0.0	-66.47	386.53	4.39	-62.08
CCC[N@@H+](C)CC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029195791	1	53	0.0	-73.43	390.69	4.21	-69.22
CC1CCN(C(=O)C23CC[N@H+](C2)CCC3)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029195809	0	55	0.0	-66.78	381.02	3.37	-63.41
CC1CCN(C(=O)C23CC[N@@H+](C2)CCC3)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029195809	1	55	0.0	-64.78	379.67	3.85	-60.93
CCCCCC[N@H+](C)CC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029195834	0	62	0.0	-67.50	451.02	6.74	-60.76
CCCCCC[N@@H+](C)CC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029195834	1	62	0.0	-74.69	455.18	6.55	-68.14
CC1CC[NH+](CC(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)CC1	REAL300029195867	0	57	0.0	-75.31	421.54	5.74	-69.57
CC1CCN(C(=O)COC2CC[NH+](C)CC2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029195888	0	58	0.0	-81.62	431.33	4.79	-76.83
CC1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029195923	0	58	0.0	-67.22	416.15	5.57	-61.65
CC1CCN(C(=O)C2CC3CCCC[N@H+]3C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029195923	1	58	0.0	-64.63	415.51	5.63	-59.00
CC1CCN(C(=O)C2(C[NH+](C)C)CC2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029195933	0	54	0.0	-69.78	397.58	4.28	-65.50
CC(C)[NH+]1CCC(C(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)CC1	REAL300029195943	0	60	0.0	-69.20	424.31	6.05	-63.15
CC[N@H+](C)CCC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029195962	0	53	0.0	-76.12	391.54	4.05	-72.07
CC[N@@H+](C)CCC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029195962	1	53	0.0	-76.04	391.54	4.06	-71.98
CC1CCN(C(=O)C2C[NH+]3CCC2CC3)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029195990	0	55	0.0	-81.77	389.55	4.25	-77.52
CC1CCN(C(=O)C2CC[NH+](C)CC2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029196054	0	54	0.0	-78.63	394.58	4.18	-74.45
CC[NH+](CC)CC(F)C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029196136	0	56	0.0	-60.26	419.71	5.16	-55.10
CC(C)C[N@@H+]1CCC(C(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)C1	REAL300029196160	0	60	0.0	-66.18	429.05	6.25	-59.93
CC(C)C[N@H+]1CCC(C(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)C1	REAL300029196160	1	60	0.0	-72.15	432.87	5.57	-66.58
CCC(C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C)[NH+](CC)CC	REAL300029196185	0	59	0.0	-66.28	410.61	4.73	-61.55
CC1CCC[N@@H+]1CC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029196201	0	54	0.0	-71.21	396.96	4.59	-66.62
CC1CCC[N@H+]1CC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029196201	1	54	0.0	-63.79	392.54	4.76	-59.03
CC(C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C)[NH+]1CCCCCC1	REAL300029196249	0	60	0.0	-62.90	410.68	5.64	-57.26
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029196268	0	57	0.0	-64.90	383.04	5.33	-59.57
CC(C)[N@H+]1CCCC1C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029196268	1	57	0.0	-71.59	399.22	4.75	-66.84
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029196273	0	60	0.0	-64.04	421.28	5.36	-58.68
CC(C)[N@H+]1CCCC1CC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029196273	1	60	0.0	-73.70	421.28	5.07	-68.63
CC1CC[N@H+](CC(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)C1	REAL300029196300	0	54	0.0	-68.41	403.38	4.80	-63.61
CC1CC[N@@H+](CC(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)C1	REAL300029196300	1	54	0.0	-73.98	404.57	4.98	-69.00
CC1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029196303	0	57	0.0	-73.49	417.02	5.05	-68.44
CC1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029196303	1	57	0.0	-67.59	422.33	5.30	-62.29
CC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029196304	0	59	0.0	-67.17	417.75	5.55	-61.62
CC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029196304	1	59	0.0	-74.64	426.80	5.64	-69.00
CC[C@@H](C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C)[NH+](C)C	REAL300029196311	0	53	0.0	-63.17	376.68	4.33	-58.84
CC1=[NH+]C=CN1CC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029196486	1	49	0.0	-61.04	376.70	4.59	-56.45
CC(C[NH+]1CCOCC1)C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029196487	1	58	0.0	-76.94	419.48	3.13	-73.81
CC1CCN(C(=O)CCC[NH+]2CCCCC2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029196500	0	60	0.0	-75.37	436.87	6.07	-69.30
CC1CCN(C(=O)C2=NOC(C[NH+](C)C)=C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029196510	1	53	0.0	-77.79	413.20	4.36	-73.43
CC1=C(C(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)C=CC2=C[NH+]=CN21	REAL300029196511	0	52	0.0	-70.71	407.92	6.59	-64.12
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029196543	1	55	0.0	-67.99	417.22	5.52	-62.47
CC1CCN(C(=O)C2CCCC3CCC[N@@H+]32)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029196571	0	58	0.0	-60.40	410.45	6.02	-54.38
CC1CCN(C(=O)C2CCCC3CCC[N@H+]32)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029196571	1	58	0.0	-72.09	403.13	5.49	-66.60
CC[N@@H+]1CCOC(C(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)C1	REAL300029196585	1	55	0.0	-82.09	399.81	4.14	-77.95
CC[N@H+]1CCOC(C(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)C1	REAL300029196585	1	55	0.0	-79.06	393.88	3.30	-75.76
CC1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029196623	0	49	0.0	-75.75	380.45	5.95	-69.80
CC1=C[NH+]=CN1CC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029196628	1	49	0.0	-72.72	381.22	5.13	-67.59
C[C@@H]1[C@H](C(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)CC[N@@H+]1C	REAL300029196640	0	54	0.0	-73.60	383.94	4.90	-68.70
C[C@@H]1[C@H](C(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)CC[N@H+]1C	REAL300029196640	1	54	0.0	-78.04	392.05	3.84	-74.20
CC[C@@H]1[C@@H](C(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)CC[N@@H+]1C	REAL300029196643	0	57	0.0	-67.61	408.99	4.69	-62.92
CC[C@@H]1[C@@H](C(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)CC[N@H+]1C	REAL300029196643	1	57	0.0	-72.27	411.53	4.90	-67.37
CC1CCC(C)[NH+]1CC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029196651	0	57	0.0	-69.18	408.77	4.65	-64.53
CC1CCN(C(=O)CCC[NH+]2CCCC2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029196657	0	57	0.0	-77.20	428.77	5.84	-71.36
C#CC[NH+]1CCC(C(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)CC1	REAL300029196662	0	56	0.0	-73.76	415.16	6.07	-67.69
CC1CCN(C(=O)CC[NH+]2CCCCC2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029196663	0	57	0.0	-76.93	422.93	5.74	-71.19
CC1CCN(C(=O)CC2([NH+](C)C)CCCC2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029196698	0	60	0.0	-69.78	411.89	5.86	-63.92
CC1CCN(C(=O)C[N@H+](C)C2CCC2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029196813	0	54	0.0	-65.40	393.41	4.96	-60.44
CC1CCN(C(=O)C[N@@H+](C)C2CCC2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029196813	1	54	0.0	-63.45	393.64	4.98	-58.47
CC(C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C)[NH+]1C(C)CCC1C	REAL300029196830	0	60	0.0	-64.64	424.33	5.48	-59.16
CC1CCN(C(=O)CCCC[NH+]2CCCC2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029196842	0	60	0.0	-78.24	450.27	6.62	-71.62
CC1CCN(C(=O)C2CC[NH+](C)CC2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029196853	0	54	0.0	-78.63	394.58	4.18	-74.45
CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029196884	0	51	0.0	-66.08	368.66	4.12	-61.96
CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029196884	1	51	0.0	-70.34	368.57	3.14	-67.20
CC1CCN(C(=O)CCC2CCC[N@@H+]2C)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029196909	0	57	0.0	-68.91	419.21	5.13	-63.78
CC1CCN(C(=O)CCC2CCC[N@H+]2C)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029196909	1	57	0.0	-75.73	414.86	5.54	-70.19
CC1CCN(C(=O)C2CCC3CCCC[N@@H+]32)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029196918	0	58	0.0	-66.17	412.02	5.52	-60.65
CC1CCN(C(=O)C2CCC3CCCC[N@H+]32)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029196918	1	58	0.0	-66.42	412.60	5.53	-60.89
CCC[N@@H+]1CCCC(C(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)C1	REAL300029196974	0	60	0.0	-60.71	433.59	5.90	-54.81
CCC[N@H+]1CCCC(C(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)C1	REAL300029196974	1	60	0.0	-74.04	433.29	5.53	-68.51
CC(C)[N@@H+]1CCOC(C(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)C1	REAL300029196985	1	58	0.0	-79.46	419.61	4.47	-74.99
CC(C)[N@H+]1CCOC(C(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)C1	REAL300029196985	1	58	0.0	-80.33	418.55	4.01	-76.32
CC1CCN(C(=O)C[NH+]2CCC(CO)CC2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197034	0	58	0.0	-75.81	432.38	2.42	-73.39
CC1C(C(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)CC[N@@H+]1C	REAL300029197074	0	54	0.0	-65.76	384.30	4.66	-61.10
CC1C(C(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)CC[N@H+]1C	REAL300029197074	1	54	0.0	-67.91	386.37	4.44	-63.47
CC1CCN(C(=O)CCC2CCCC[N@@H+]2C)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197076	0	60	0.0	-74.88	440.31	6.22	-68.66
CC1CCN(C(=O)CCC2CCCC[N@H+]2C)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197076	1	60	0.0	-72.79	432.42	5.75	-67.04
CC1CCN(C(=O)C2=CC3=C(CCC3)[NH+]=C2N)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197102	1	54	0.0	-57.75	403.32	3.73	-54.02
CC1CCN(C(=O)C2CC[N@@H+]2C(C)(C)C)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197146	0	57	0.0	-69.81	396.35	3.48	-66.33
CC1CCN(C(=O)C2CC[N@H+]2C(C)(C)C)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197146	1	57	0.0	-64.28	390.61	4.19	-60.09
C[C@@H](C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C)[NH+](C)C	REAL300029197163	0	50	0.0	-71.43	366.26	2.96	-68.47
C=CCC(C)(C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C)[NH+](C)C	REAL300029197180	0	57	0.0	-66.01	394.48	4.02	-61.99
CC1CCN(C(=O)CC[NH+]2CCCC2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197202	0	54	0.0	-77.26	407.26	5.04	-72.22
CC1CCN(C(=O)C[N@H+](C)CCO)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197211	1	51	0.0	-74.59	379.54	0.22	-74.37
CC1CCN(C(=O)C[N@@H+](C)CCO)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197211	1	51	0.0	-75.55	386.82	0.68	-74.87
CC1CCN(C(=O)C2C[N@@H+]3CCN2CCC3)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197244	0	57	0.0	-80.73	394.63	2.02	-78.71
CC1CCN(C(=O)C2C[N@H+]3CCN2CCC3)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197244	1	57	0.0	-82.62	396.48	1.82	-80.80
CC(C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C)[NH+]1CCSCC1	REAL300029197262	1	55	0.0	-68.65	409.63	5.02	-63.63
CC1CCN(C(=O)CC2=CC[N@H+](C)CC2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197290	0	55	0.0	-73.55	418.11	5.62	-67.93
CC1CCN(C(=O)CC2=CC[N@@H+](C)CC2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197290	1	55	0.0	-70.95	418.13	5.63	-65.32
CC1CCN(C(=O)C(O)CC[S+](C)C)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197302	0	53	0.0	-82.24	410.80	2.02	-80.22
CC1CCN(C(=O)C2CN(C)CC[N@H+](C)C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197327	0	59	0.0	-70.83	422.52	2.57	-68.26
CC1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197327	1	59	0.0	-64.28	418.94	2.41	-61.87
CC(C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C)[N@@H+]1CCCC(O)C1	REAL300029197328	0	58	0.0	-69.35	420.08	1.54	-67.81
CC(C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C)[N@H+]1CCCC(O)C1	REAL300029197328	1	58	0.0	-66.88	421.34	1.89	-64.99
CC1CCN(C(=O)CC2(O)CCC[N@H+](C)C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197359	0	58	0.0	-66.01	406.56	3.52	-62.49
CC1CCN(C(=O)CC2(O)CCC[N@@H+](C)C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197359	1	58	0.0	-59.03	409.15	3.42	-55.61
CC1C[NH+](CC(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)C1	REAL300029197363	1	51	0.0	-68.60	378.59	4.11	-64.49
CC[N@@H+]1CCCC(C(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)C1	REAL300029197368	0	57	0.0	-59.62	405.93	5.38	-54.24
CC[N@H+]1CCCC(C(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)C1	REAL300029197368	1	57	0.0	-59.47	398.98	5.64	-53.83
CC1CCN(C(=O)CC2=CC=C[NH+]=C2N)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197374	0	50	0.0	-67.76	385.71	2.64	-65.12
CC1CCN(C(=O)C2CCC[N@@H+]2C2CC2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197384	0	55	0.0	-72.02	401.80	4.92	-67.10
CC1CCN(C(=O)C2CCC[N@H+]2C2CC2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197384	1	55	0.0	-72.20	398.87	4.44	-67.76
CC1CCN(C(=O)C=CC[NH+]2CCCC2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197422	0	55	0.0	-80.32	420.14	5.70	-74.62
CC1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197441	0	58	0.0	-67.63	421.07	5.48	-62.15
CC[N@H+](C)CC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029197473	0	50	0.0	-74.31	376.69	3.92	-70.39
CC1CCN(C(=O)CN2CC3C=CC2C3)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197517	0	53	0.0	-69.67	390.52	4.68	-64.99
CC1CCN(C(=O)C[N@@H+]2CC3C=CC2C3)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197517	1	53	0.0	-67.78	396.33	5.02	-62.76
CC1CCN(C(=O)C[N@H+]2CC3C=CC2C3)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197517	1	53	0.0	-67.78	396.33	5.02	-62.76
CC(OCC[NH+](C)C)C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029197634	0	57	0.0	-70.01	421.35	4.14	-65.87
CC1CCN(C(=O)CCOCC[NH+](C)C)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197643	0	57	0.0	-77.54	435.77	4.11	-73.43
COCCN(C)CC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029197645	0	54	0.0	-75.39	409.07	3.09	-72.30
COCC[N@H+](C)CC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029197645	1	54	0.0	-74.90	401.79	2.63	-72.27
COCC[N@@H+](C)CC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029197645	1	54	0.0	-74.90	401.79	2.63	-72.27
CC(CCC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C)[NH+](C)C	REAL300029197650	0	56	0.0	-82.74	412.59	5.03	-77.71
CC[N@H+](CC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C)C1CC1	REAL300029197672	0	54	0.0	-70.45	397.35	4.79	-65.66
CC1CCN(C(=O)C2C[N@@H+]3CCN2C(C)C3)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197682	0	57	0.0	-79.68	398.07	1.25	-78.43
CC1=NC(N)=CC=C1C=CC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029197708	0	54	0.0	-71.94	411.08	3.70	-68.24
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029197708	1	54	0.0	-71.94	411.08	3.70	-68.24
CC1CCN(C(=O)C[N@@H+]2CC3CCC2C3)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197714	0	55	0.0	-66.25	393.83	5.11	-61.14
CC1CCN(C(=O)C[N@H+]2CC3CCC2C3)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197714	1	55	0.0	-66.25	393.83	5.11	-61.14
CC(C[NH+](C)C)C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029197731	0	53	0.0	-67.02	386.13	3.66	-63.36
CCN1CCC1C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029197771	0	51	0.0	-67.93	383.45	3.97	-63.96
CC[N@@H+]1CCC1C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029197771	1	51	0.0	-68.26	371.36	4.00	-64.26
CC[N@H+]1CCC1C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029197771	1	51	0.0	-68.26	371.36	4.00	-64.26
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)C1	REAL300029197781	0	60	0.0	-60.00	419.69	5.80	-54.20
CC(C)[N@H+]1CCCC(C(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)C1	REAL300029197781	1	60	0.0	-60.00	419.69	5.80	-54.20
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029197792	0	59	0.0	-71.72	414.74	3.11	-68.61
C#CCN1CCCCC1C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029197830	0	56	0.0	-70.79	406.74	5.82	-64.97
C#CC[N@H+]1CCCCC1C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029197830	1	56	0.0	-63.01	406.85	5.30	-57.71
C#CC[N@@H+]1CCCCC1C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029197830	1	56	0.0	-63.01	406.85	5.30	-57.71
CNC1=NC(C)=CC=C1C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029197831	0	53	0.0	-61.23	399.65	3.56	-57.67
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029197831	1	53	0.0	-61.23	399.65	3.56	-57.67
CCCC(C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C)[NH+](C)C	REAL300029197841	0	56	0.0	-69.94	399.53	4.29	-65.65
CC(CC[NH+](C)C)C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029197862	0	56	0.0	-67.42	407.69	4.29	-63.13
CC1CCN(C(=O)C2CC(C)(C)C[N@@H+]2C)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197952	0	57	0.0	-68.59	409.40	4.42	-64.17
CC1CCN(C(=O)C2CC(C)(C)C[N@H+]2C)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197952	1	57	0.0	-63.02	407.02	5.11	-57.91
CC1CCN(C(=O)CCCCC[NH+](C)C)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197957	0	59	0.0	-78.82	445.80	6.23	-72.59
CC1CCN(C(=O)CC[NH+]2CCC(O)CC2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197961	0	58	0.0	-78.48	426.02	1.87	-76.61
CCC[N@@H+]1CCCCC1C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029197964	0	60	0.0	-64.55	417.42	5.91	-58.64
CCC[N@H+]1CCCCC1C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029197964	1	60	0.0	-62.75	428.47	6.39	-56.36
CC1CCN(C(=O)CN2CC[NH+](C)CC2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197972	1	56	0.0	-65.27	406.29	2.48	-62.79
CC1C[N@H+](C)CC(C(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)O1	REAL300029198056	1	55	0.0	-74.67	402.96	3.54	-71.13
CC1C[N@@H+](C)CC(C(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)O1	REAL300029198056	1	55	0.0	-73.40	397.45	3.41	-69.99
CCC1CCC[N@H+](CC(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)C1	REAL300029198086	0	60	0.0	-75.31	432.92	6.35	-68.96
CCC1CCC[N@@H+](CC(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)C1	REAL300029198086	1	60	0.0	-69.20	438.22	6.17	-63.03
CC1CCN(C(=O)C2=CC=C(C[NH+](C)C)N2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198094	0	55	0.0	-89.12	411.05	4.41	-84.71
CC1CCN(C(=O)C[NH+]2CC3CC3C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198108	0	52	0.0	-67.67	382.64	4.84	-62.83
CC1CCN(C(=O)CC2([NH+]3CCCC3)CC2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198121	0	58	0.0	-70.05	416.77	5.49	-64.56
CC1CCN(C(=O)C2CCCC[N@@H+]2C)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198152	0	54	0.0	-64.83	381.76	4.16	-60.67
CC1CCN(C(=O)C2CCCC[N@H+]2C)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198152	1	54	0.0	-62.03	392.52	4.64	-57.39
CC1CCN(C(=O)C=C2CC[N@H+](C)C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198244	0	52	0.0	-80.40	395.89	4.87	-75.53
CC1CCN(C(=O)C=C2CC[N@@H+](C)C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198244	1	52	0.0	-79.64	396.74	4.82	-74.82
CC1CCN(C(=O)CNC2=CC=[NH+]C=C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198249	0	50	0.0	-77.24	394.66	2.53	-74.71
CC[NH+]1CCN(CC(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)CC1	REAL300029198295	0	59	0.0	-74.05	435.70	3.43	-70.62
CC1CCN(C(=O)C=C2C[NH+]3CCC2CC3)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198296	0	56	0.0	-62.80	402.58	5.40	-57.40
CC1CCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198333	0	58	0.0	-66.12	418.37	2.21	-63.91
CC1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198333	1	58	0.0	-63.87	418.37	2.22	-61.65
CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198349	0	51	0.0	-71.76	368.84	3.13	-68.63
CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198349	1	51	0.0	-71.05	375.84	3.61	-67.44
CCN1CCOCC1CC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029198374	0	58	0.0	-70.51	420.98	3.43	-67.08
CC[N@@H+]1CCOCC1CC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029198374	1	58	0.0	-79.88	419.28	3.31	-76.57
CC[N@H+]1CCOCC1CC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029198374	1	58	0.0	-79.88	419.28	3.31	-76.57
CC1CCN(C(=O)C2=CC=C3NC(N)=NC3=C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198441	0	51	0.0	-75.61	392.36	3.63	-71.98
CC1CCN(C(=O)C2=CC=C3NC(N)=[NH+]C3=C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198441	1	51	0.0	-75.61	392.36	3.63	-71.98
CC1CCN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198470	0	54	0.0	-72.26	397.88	5.16	-67.10
CC1CCN(C(=O)C2CCC([NH+](C)C)CC2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198483	0	60	0.0	-70.38	419.72	5.15	-65.23
CC1CCN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198485	0	60	0.0	-70.42	419.65	5.14	-65.28
CC1CCN(C(=O)CC2CC=CC[N@@H+]2C)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198486	0	55	0.0	-77.77	408.38	5.17	-72.60
CC1CCN(C(=O)CC2CC=CC[N@H+]2C)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198486	1	55	0.0	-77.77	408.38	5.17	-72.60
CC1=CC(C=CC(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)=CN=C1N	REAL300029198531	0	54	0.0	-79.33	415.46	3.77	-75.56
CC1=CC(C=CC(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)=C[NH+]=C1N	REAL300029198531	1	54	0.0	-79.33	415.46	3.77	-75.56
CC1CCN(C(=O)COCC[NH+](C)C)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198542	0	54	0.0	-75.17	414.82	4.39	-70.78
CCCCC[N@H+](C)CCC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029198548	0	62	0.0	-77.83	456.03	6.36	-71.47
CCCCC[N@@H+](C)CCC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029198548	1	62	0.0	-77.83	456.03	6.36	-71.47
CC1CCN(C(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198558	0	58	0.0	-69.05	427.85	4.89	-64.16
CC1CCN(C(=O)CN2C=CSC2=[NH2+])C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198575	0	47	0.0	-58.76	374.50	3.17	-55.59
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029198633	0	57	0.0	-68.74	420.00	4.77	-63.97
CC1CCN(C(=O)CC[NH+]2CCCCCC2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198663	0	60	0.0	-79.47	432.95	5.94	-73.53
CC1CCN(C(=O)C[NH+]2CCCCC2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198667	0	54	0.0	-68.49	398.97	4.90	-63.59
CC1CCN(C(=O)C2CCC[N@H+](C)C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198669	0	54	0.0	-75.17	394.15	4.12	-71.05
CC1CCN(C(=O)C2CCC[N@@H+](C)C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198669	1	54	0.0	-66.14	386.15	4.36	-61.78
CC1CCN(C(=O)C[NH+]2CCC(CO)CC2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198670	0	58	0.0	-75.81	432.38	2.42	-73.39
CC1CCN(C(=O)C[NH+]2CCCCCC2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198671	0	57	0.0	-73.07	402.37	4.85	-68.22
CC1CCN(C(=O)C[N+]2=CN(C)C=C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198676	0	49	0.0	-71.65	390.16	6.77	-64.88
CC1CCN(C(=O)C2=CC=C(C[NH+](C)C)O2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198689	1	54	0.0	-85.56	418.61	4.79	-80.77
CC1CCN(C(=O)C[NH+]2CCC(O)CC2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198702	1	55	0.0	-79.99	411.78	1.77	-78.22
CC1CCN(C(=O)C[N@@H+](C)C2CC2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198707	1	51	0.0	-71.02	388.21	4.67	-66.35
CC(C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C)N1CC[NH+](C)CC1	REAL300029198709	1	59	0.0	-73.06	420.00	2.26	-70.80
CC1CCN(C(=O)CC[N@H+]2CCC(F)C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198711	1	54	0.0	-81.38	405.66	4.65	-76.73
CC(CC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C)C[NH+](C)C	REAL300029198735	0	56	0.0	-82.26	416.08	5.31	-76.95
CC1CCN(C(=O)C2CC[N@@H+]3CCOCC23)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198750	0	56	0.0	-75.38	408.07	3.18	-72.20
CC1CCN(C(=O)C2CC[N@H+]3CCOCC23)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198750	1	56	0.0	-70.75	407.60	3.19	-67.56
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(C)C(NC(=O)C4=CC(=O)[N-]O4)C3C)=CN21	REAL300029198755	0	52	0.0	-72.36	401.84	5.74	-66.62
CC1CCN(C(=O)CC2COCCN2C)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198769	0	55	0.0	-80.50	407.78	2.91	-77.59
CC1CCN(C(=O)CC2COCC[N@@H+]2C)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198769	1	55	0.0	-67.00	390.55	2.71	-64.29
CC1CCN(C(=O)CC2COCC[N@H+]2C)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198769	1	55	0.0	-80.50	407.78	2.91	-77.59
CC[NH+]1CCN(CC(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)CC1	REAL300029198775	0	59	0.0	-74.05	435.70	3.43	-70.62
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029198815	1	50	0.0	-75.75	380.27	2.29	-73.46
CC1CCN(C(=O)CCC2=CC=C(N)[NH+]=C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198818	0	53	0.0	-67.15	406.45	3.55	-63.60
CC1CCN(C(=O)C[N@@H+]2CCC(C)(O)C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198850	0	55	0.0	-70.38	413.53	1.46	-68.92
CC1CCN(C(=O)C[N@H+]2CCC(C)(O)C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198850	1	55	0.0	-68.70	403.81	1.39	-67.31
CC1CCN(C(=O)CC2C[NH+](C)C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198882	0	51	0.0	-77.40	390.35	4.13	-73.27
CC1CCN(C(=O)C2CC[N@@H+]2C2CCCC2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198887	0	58	0.0	-71.86	414.59	5.05	-66.81
CC1CCN(C(=O)C2CC[N@H+]2C2CCCC2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198887	1	58	0.0	-72.36	415.40	5.16	-67.20
CC1CCN(C(=O)C[NH+](C)C)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198895	0	47	0.0	-73.71	351.37	2.76	-70.95
CC1CCN(C(=O)CC[N@H+](C)CCO)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198921	0	54	0.0	-75.43	401.89	0.84	-74.59
CC1CCN(C(=O)CC[N@@H+](C)CCO)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198921	1	54	0.0	-75.48	401.88	0.80	-74.68
C[C@@H](C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C)[NH+](C)C	REAL300029198922	0	50	0.0	-71.43	366.26	2.96	-68.47
CC1CCN(C(=O)CC2CCCC[N@@H+]2C)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198938	0	57	0.0	-66.67	403.21	4.88	-61.79
CC1CCN(C(=O)CC2CCCC[N@H+]2C)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198938	1	57	0.0	-73.75	416.43	5.28	-68.47
CC1=C2C=C(C(=O)N3CCC(C)C(NC(=O)C4=CC(=O)[N-]O4)C3C)C=CN2C=[NH+]1	REAL300029198955	1	52	0.0	-80.15	402.61	6.55	-73.60
CC(C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C)[NH+]1CC(C)C1	REAL300029198956	0	54	0.0	-62.24	397.06	4.13	-58.11
CC1CC[N@@H+]1CC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029198959	1	51	0.0	-72.39	384.70	4.07	-68.32
CC1CC[N@H+]1CC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029198959	1	51	0.0	-72.68	382.80	3.87	-68.81
CC1CCN(C(=O)C=CC[NH+](C)C)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198969	0	51	0.0	-80.26	387.46	4.05	-76.21
CC1CCN(C(=O)C[NH+]2CC(C)(C)C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198981	1	54	0.0	-75.31	409.55	4.86	-70.45
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)N1	REAL300029198998	1	55	0.0	-69.50	421.68	4.11	-65.39
CC1=C2C=C(C(=O)N3CCC(C)C(NC(=O)C4=CC(=O)[N-]O4)C3C)C=CN2C=[NH+]1	REAL300029199008	1	52	0.0	-80.15	402.61	6.55	-73.60
CC1CCN(C(=O)CSCC[NH+](C)C)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029199016	0	54	0.0	-83.37	425.84	5.29	-78.08
CC1CCN(C(=O)C[N@@H+]2CCCC2CO)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029199039	0	55	0.0	-73.56	404.63	1.41	-72.15
CC1CCN(C(=O)C[N@H+]2CCCC2CO)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029199039	1	55	0.0	-69.21	410.34	1.61	-67.60
CC[NH+](CC)CC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029199043	0	53	0.0	-72.63	394.93	4.62	-68.01
CC1CCN(C(=O)C[N@H+](C)C2CCSC2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029199053	0	55	0.0	-72.27	406.57	5.23	-67.04
CC1CCN(C(=O)C[N@@H+](C)C2CCSC2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029199053	1	55	0.0	-77.66	410.86	5.00	-72.66
CC1CCN(C(=O)C[NH+]2CCC2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029199055	1	48	0.0	-75.19	369.24	3.72	-71.47
CC[NH+](CC)CCC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C	REAL300029199091	0	56	0.0	-77.28	412.54	4.97	-72.31
CC1CCN(C(=O)C2=CC(C[NH+](C)C)=CN2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029199142	0	55	0.0	-78.86	420.52	4.62	-74.24
CC(C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C)[NH+]1CCC(O)CC1	REAL300029199155	0	58	0.0	-67.27	410.25	1.94	-65.33
CC1CCN(C(=O)C2CC3COCC[N@@H+]3C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029199160	0	56	0.0	-71.19	407.19	3.22	-67.97
CC1CCN(C(=O)C2CC3COCC[N@H+]3C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029199160	1	56	0.0	-71.16	404.82	3.61	-67.55
CC(C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C)[NH+]1CCC1	REAL300029199172	1	51	0.0	-72.51	378.30	3.49	-69.02
CCC(CC(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C)C[NH+](C)C	REAL300029199178	0	59	0.0	-67.24	434.17	5.93	-61.31
CC1CCN(C(=O)C=CC2=CC=C(N)[NH+]=C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029199183	0	51	0.0	-80.27	397.65	3.02	-77.25
CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029199230	0	54	0.0	-69.42	389.96	4.23	-65.19
CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029199230	1	54	0.0	-70.99	379.55	3.70	-67.29
CC1CCN(C(=O)C2C[N@@H+]3CCN2CC3C)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029199242	0	57	0.0	-64.89	393.38	1.94	-62.95
CC1CCN(C(=O)C2C[N@H+]3CCN2CC3C)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029199242	1	57	0.0	-78.94	401.69	1.68	-77.26
CC1CCN(C(=O)CC(O)C[NH+](C)C)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029199262	0	54	0.0	-82.39	411.42	2.33	-80.06
CC1CCN(C(=O)C2CC3CCC(C2)[NH+]3C)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029199265	0	58	0.0	-61.89	393.97	5.20	-56.69
C=CCC(C(=O)N1CCC(C)C(NC(=O)C2=CC(=O)[N-]O2)C1C)[NH+](C)C	REAL300029199297	0	54	0.0	-68.88	390.94	4.05	-64.83
CC1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029199304	0	58	0.0	-67.22	416.15	5.57	-61.65
CC1CCN(C(=O)C2CC3CCCC[N@H+]3C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029199304	1	58	0.0	-64.63	415.51	5.63	-59.00
CC1CCN(C(=O)CC2(O)CC[NH+](C)CC2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029199313	0	58	0.0	-69.26	414.96	3.28	-65.98
CC1=C2C=C(C(=O)NC3C(C)CCN(C(=O)C4=CC(=O)[N-]O4)C3C)C=CN2C=[NH+]1	REAL300029199380	1	52	0.0	-65.22	406.41	6.88	-58.34
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CSCC[NH+](C)C	REAL300029199388	0	54	0.0	-81.18	415.04	4.43	-76.75
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1CC2COCC[N@@H+]2C1	REAL300029199395	0	56	0.0	-75.23	414.24	3.35	-71.88
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1CC2COCC[N@H+]2C1	REAL300029199395	1	56	0.0	-59.06	412.83	3.26	-55.80
C[N@@H+]1CCCC1C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029199550	0	48	0.0	-69.20	360.27	2.98	-66.22
C[N@H+]1CCCC1C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029199550	1	48	0.0	-61.22	359.87	3.09	-58.13
C[N@@H+]1CCOC(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029199574	1	49	0.0	-55.48	370.38	2.80	-52.68
C[N@H+]1CCOC(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029199574	1	49	0.0	-79.95	377.72	2.97	-76.98
CC(C)C1=[NH+]C=CN1CCC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029199758	1	55	0.0	-61.07	426.04	5.71	-55.36
CC(C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300029199765	0	57	0.0	-61.99	409.47	4.90	-57.09
CC(C)[N@@H+]1CCCCC1C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029199767	0	57	0.0	-58.73	412.91	5.00	-53.73
CC(C)[N@H+]1CCCCC1C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029199767	1	57	0.0	-63.36	406.82	5.00	-58.36
CC(C)[N@@H+]1CCCC1C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029199801	0	54	0.0	-62.38	398.74	4.58	-57.80
CC(C)[N@H+]1CCCC1C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029199801	1	54	0.0	-60.31	399.60	4.61	-55.70
CC1(CNC(=O)C2CC3CCCC[N@@H+]3C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029199827	0	55	0.0	-71.67	407.59	5.26	-66.41
CC1(CNC(=O)C2CC3CCCC[N@H+]3C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029199827	1	55	0.0	-62.98	407.30	5.28	-57.70
CC(C)C1=[NH+]C=CN1CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029199860	1	52	0.0	-61.77	405.73	5.28	-56.49
CC1=[NH+]C=CN1CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029199914	1	46	0.0	-64.58	369.51	4.11	-60.47
CC(C[NH+]1CCOCC1)C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029199916	0	55	0.0	-68.30	411.93	3.29	-65.01
CC1(CNC(=O)CCC[NH+]2CCCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029199938	0	57	0.0	-68.70	425.13	5.71	-62.99
CC(C)(C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300029199965	0	57	0.0	-63.09	409.22	5.51	-57.58
CC1(CNC(=O)C2C[NH+]3CCC2CC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029199984	0	52	0.0	-78.34	381.34	4.31	-74.03
CC1(CNC(=O)C2CCCC3CCC[N@@H+]32)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029200042	0	55	0.0	-60.89	404.40	5.34	-55.55
CC1(CNC(=O)C2CCCC3CCC[N@H+]32)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029200042	1	55	0.0	-63.98	396.39	5.02	-58.96
C[NH+](C)CCN1C=C(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C=N1	REAL300029200044	0	54	0.0	-78.23	424.97	4.08	-74.15
C[NH+](C)CCN1C=CC(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)=N1	REAL300029200059	0	54	0.0	-82.50	424.76	4.00	-78.50
C[C@@H]1[C@H](C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029200066	0	51	0.0	-73.97	376.77	3.44	-70.53
C[C@@H]1[C@H](C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029200066	1	51	0.0	-71.10	382.36	4.24	-66.86
CCC1=[NH+]C=CN1C(C)CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029200069	1	55	0.0	-62.01	426.58	5.77	-56.24
CC[C@@H]1[C@@H](C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029200072	0	54	0.0	-72.21	396.65	4.14	-68.07
CC[C@@H]1[C@@H](C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029200072	1	54	0.0	-61.17	401.79	4.82	-56.35
CC[N@@H+]1CCOC(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029200098	1	52	0.0	-76.43	388.52	3.39	-73.04
CC[N@H+]1CCOC(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029200098	1	52	0.0	-75.22	388.68	3.51	-71.71
CC[NH+](CC)CC(F)C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029200158	0	53	0.0	-71.65	402.16	4.37	-67.28
C[NH+](C)CC1=C(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)SC=C1	REAL300029200159	0	51	0.0	-57.36	405.86	5.10	-52.26
CC1CCC(C)[NH+]1CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029200264	0	54	0.0	-60.91	397.63	4.55	-56.36
CC1(CNC(=O)CCC[NH+]2CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029200271	0	54	0.0	-68.94	409.91	5.04	-63.90
C[NH+](C)CC1=CC=CC(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029200272	0	54	0.0	-71.79	418.25	6.04	-65.75
C#CC[NH+]1CCC(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029200279	0	53	0.0	-73.96	409.31	5.29	-68.67
CC1(CNC(=O)CC[NH+]2CCCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029200280	0	54	0.0	-67.34	403.63	4.92	-62.42
C[NH+](C)CC1=CC=CC=C1C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029200284	0	54	0.0	-56.15	411.24	6.25	-49.90
CC[N@@H+]1CCCCC1C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029200293	0	54	0.0	-63.80	391.01	4.66	-59.14
CC[N@H+]1CCCCC1C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029200293	1	54	0.0	-61.35	390.57	4.55	-56.80
CC(C)C(C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300029200294	0	60	0.0	-65.43	428.28	6.77	-58.66
C[NH+](C)C(C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300029200297	1	54	0.0	-69.07	414.78	5.98	-63.09
CC(C)C[N@@H+]1CCC(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029200323	0	57	0.0	-67.77	425.56	5.44	-62.33
CC(C)C[N@H+]1CCC(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029200323	1	57	0.0	-67.89	425.60	5.37	-62.52
C[NH+](C)C1(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029200327	0	51	0.0	-68.93	361.57	4.97	-63.96
C[NH+](C)C(CN1C=CC=N1)C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029200329	1	54	0.0	-61.55	413.22	3.80	-57.75
CC(C)[N@@H+]1CCCC1CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029200334	0	57	0.0	-55.90	409.29	4.91	-50.99
CC(C)[N@H+]1CCCC1CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029200334	1	57	0.0	-64.67	408.69	4.56	-60.11
CC1(CNC(=O)C2CCC[N@@H+]2C2CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029200335	0	58	0.0	-62.05	423.48	5.99	-56.06
CC1(CNC(=O)C2CCC[N@H+]2C2CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029200335	1	58	0.0	-62.28	425.91	5.88	-56.40
CC(C)[C@@H](C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029200356	0	53	0.0	-60.68	386.43	4.65	-56.03
C[N@H+](CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029200418	0	51	0.0	-62.59	386.42	4.56	-58.03
C[N@@H+](CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029200418	1	51	0.0	-63.80	386.26	4.55	-59.25
CC(C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300029200504	0	57	0.0	-59.63	410.91	4.92	-54.71
CN(CCC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=[NH+]C=C1	REAL300029200583	0	53	0.0	-61.07	415.10	4.22	-56.85
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029200595	1	50	0.0	-64.68	387.22	4.25	-60.43
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029200595	1	50	0.0	-63.88	393.01	4.75	-59.13
C[N@@H+]1CCCC1CCC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029200605	0	54	0.0	-66.52	407.47	5.00	-61.52
C[N@H+]1CCCC1CCC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029200605	1	54	0.0	-66.96	402.24	4.58	-62.38
CC1(CNC(=O)C23CCC[NH+](CCC2)C3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029200618	0	55	0.0	-68.90	398.02	4.77	-64.13
CC1(CNC(=O)C2CCC3CCCC[N@@H+]32)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029200626	0	55	0.0	-59.37	407.84	5.34	-54.03
CC1(CNC(=O)C2CCC3CCCC[N@H+]32)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029200626	1	55	0.0	-60.95	408.37	5.40	-55.55
CC(C)(C[NH+]1CCOCC1)C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029200634	0	58	0.0	-70.28	421.01	3.50	-66.78
CC1(CNC(=O)CCCC[NH+]2CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029200654	0	57	0.0	-68.97	431.96	5.88	-63.09
C[N@H+](CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029200657	1	54	0.0	-68.97	416.74	6.09	-62.88
C[N@@H+](CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029200657	1	54	0.0	-68.87	416.85	6.17	-62.70
C[NH+]1CCC(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029200674	0	51	0.0	-68.83	384.69	4.23	-64.60
C[NH+](C)CC1=CC(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)=NO1	REAL300029200734	1	50	0.0	-78.03	398.68	3.54	-74.49
CC1=C(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300029200736	0	49	0.0	-62.28	392.87	6.31	-55.97
C[N@@H+]1CCCCC1C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029200779	0	51	0.0	-59.47	382.07	4.17	-55.30
C[N@H+]1CCCCC1C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029200779	1	51	0.0	-67.75	372.48	3.85	-63.90
CC(C)C[N@@H+]1CCCC1C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029200810	0	57	0.0	-62.72	410.57	5.66	-57.06
CC(C)C[N@H+]1CCCC1C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029200810	1	57	0.0	-62.62	425.32	5.78	-56.84
CC1(CNC(=O)C2=CN3C=[NH+]C=C3C=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029200967	0	46	0.0	-68.51	370.83	6.09	-62.42
CC1=[NH+]C=CN1CCCC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029200980	1	52	0.0	-65.71	411.06	5.47	-60.24
CC1(CNC(=O)CCCC[NH+]2CCOCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029200984	1	58	0.0	-71.91	438.90	4.15	-67.76
C[NH+](C)CC1=CC=C(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300029200990	0	54	0.0	-75.11	418.27	6.06	-69.05
CC1(CNC(=O)CC[NH+]2CCOCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029200991	1	52	0.0	-68.83	395.90	2.57	-66.26
CCC[NH+](CCC)CCCC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029201016	0	62	0.0	-69.01	462.52	6.72	-62.29
CC1=C[NH+]=CN1CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029201036	1	46	0.0	-63.69	368.79	4.80	-58.89
CC1(CNC(=O)CN2C=[NH+]C3=C2CCCC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029201047	1	53	0.0	-67.43	411.74	6.65	-60.78
C[NH+](C)CC1(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL300029201091	0	60	0.0	-68.13	418.39	6.30	-61.83
C[N@H+](CCC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300029201097	0	60	0.0	-66.63	439.04	6.17	-60.46
C[N@@H+](CCC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300029201097	1	60	0.0	-67.70	439.04	6.16	-61.54
CC1(CNC(=O)C23CCC[NH+]2CCC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029201102	0	52	0.0	-71.16	384.76	4.47	-66.69
C[NH+](C)C1CCCC(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029201141	0	57	0.0	-65.63	412.37	5.16	-60.47
C[N@@H+]1CCC(CC(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029201146	0	51	0.0	-72.15	386.66	4.17	-67.98
C[N@H+]1CCC(CC(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029201146	1	51	0.0	-67.64	386.92	4.11	-63.53
CN(C)C1=CC=[NH+]C=C1C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029201160	0	50	0.0	-72.95	390.80	3.31	-69.64
CCC(C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029201166	0	50	0.0	-64.16	370.35	3.56	-60.60
C[NH+](C)C1(CC(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029201186	0	57	0.0	-68.45	404.40	5.00	-63.45
CC1(CNC(=O)C2=CC3=C[NH+]=CN3C=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029201251	1	46	0.0	-71.84	371.10	6.09	-65.75
CC1(CNC(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029201294	1	49	0.0	-78.78	399.79	4.00	-74.78
C[NH+](C)CCCCC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029201328	0	53	0.0	-70.57	405.99	4.71	-65.86
CC(C)C(C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029201350	0	53	0.0	-62.05	383.91	3.89	-58.16
CCC[N@H+](C)CCC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029201352	0	53	0.0	-68.43	401.68	4.45	-63.98
CCC[N@@H+](C)CCC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029201352	1	53	0.0	-67.65	402.22	4.52	-63.13
CCC[N@H+](C)CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029201358	0	50	0.0	-65.41	379.31	3.91	-61.50
CCC[N@@H+](C)CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029201358	1	50	0.0	-65.26	379.37	3.98	-61.28
CC1(CNC(=O)C23CC[N@H+](C2)CCC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029201388	0	52	0.0	-64.37	382.57	3.80	-60.57
CC1(CNC(=O)C23CC[N@@H+](C2)CCC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029201388	1	52	0.0	-67.98	381.62	3.73	-64.25
C[N@@H+]1CCC[C@@H]1C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029201452	0	48	0.0	-68.92	359.85	3.07	-65.85
C[N@H+]1CCC[C@@H]1C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029201452	1	48	0.0	-63.36	365.75	3.64	-59.72
CC1CC2CCC(C(=O)NCC3(C)CCCN3C(=O)C3=CC(=O)[N-]O3)C[N@@H+]2C1	REAL300029201479	0	58	0.0	-66.73	427.90	5.87	-60.86
CC1CC2CCC(C(=O)NCC3(C)CCCN3C(=O)C3=CC(=O)[N-]O3)C[N@H+]2C1	REAL300029201479	1	58	0.0	-60.31	422.83	6.08	-54.23
CCCCCC[N@H+](C)CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029201530	0	59	0.0	-66.07	443.92	6.32	-59.75
CCCCCC[N@@H+](C)CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029201530	1	59	0.0	-66.29	443.86	6.32	-59.97
CC[NH+](CC)C(C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300029201539	0	59	0.0	-49.76	409.42	6.09	-43.67
CC[NH+](CC)CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029201549	0	50	0.0	-64.07	376.17	3.86	-60.21
CCC[N@@H+]1CCCC(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029201583	0	57	0.0	-68.71	423.52	5.52	-63.19
CCC[N@H+]1CCCC(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029201583	1	57	0.0	-67.59	424.24	5.49	-62.10
CC(C)[N@@H+]1CCOC(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029201606	0	55	0.0	-54.84	405.33	4.00	-50.84
CC(C)[N@H+]1CCOC(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029201606	1	55	0.0	-74.54	404.87	3.93	-70.61
CC1CC[NH+](CC(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029201646	0	54	0.0	-66.02	403.13	4.93	-61.09
CC1(CNC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029201677	1	49	0.0	-76.75	399.96	4.02	-72.73
C[NH+]1CCC(OCC(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029201686	0	55	0.0	-74.69	420.04	4.66	-70.03
C[NH+](C)CC1(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029201703	0	51	0.0	-67.93	371.74	4.49	-63.44
CC1=[NH+]C=C2CCC(C(=O)NCC3(C)CCCN3C(=O)C3=CC(=O)[N-]O3)CN21	REAL300029201704	1	53	0.0	-63.27	407.64	5.22	-58.05
CC(C)[NH+]1CCC(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029201805	0	57	0.0	-66.04	415.36	5.18	-60.86
C[NH+]1CCC(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029201835	0	51	0.0	-68.83	384.69	4.23	-64.60
CC(C)[C@H](C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029201858	0	53	0.0	-68.99	389.60	4.68	-64.31
CCC(C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300029201895	0	56	0.0	-60.46	403.07	4.54	-55.92
CC[N@H+](C)CCC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029201990	0	50	0.0	-66.76	380.73	3.79	-62.97
CC[N@@H+](C)CCC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029201990	1	50	0.0	-67.10	380.72	3.79	-63.31
CC1CCC[N@@H+]1CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202066	0	51	0.0	-61.84	378.78	3.88	-57.96
CC1CCC[N@H+]1CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202066	1	51	0.0	-62.31	385.85	4.26	-58.05
CC1CC[N@H+](CC(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029202068	0	51	0.0	-63.96	386.06	4.19	-59.77
CC1CC[N@@H+](CC(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029202068	1	51	0.0	-64.91	385.58	4.23	-60.68
CC(C)(C)[N@@H+]1CCC(F)(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029202069	0	57	0.0	-59.89	422.05	4.76	-55.13
CC(C)(C)[N@H+]1CCC(F)(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029202069	1	57	0.0	-56.88	422.38	4.76	-52.12
CC1=[NH+]C=C2CC(C(=O)NCC3(C)CCCN3C(=O)C3=CC(=O)[N-]O3)CCN21	REAL300029202071	1	53	0.0	-68.63	408.54	5.22	-63.41
CC1(C)CC[N@H+](CC(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029202074	0	54	0.0	-63.35	405.57	4.72	-58.63
CC1(C)CC[N@@H+](CC(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029202074	1	54	0.0	-63.10	406.24	4.82	-58.28
C[N@H+](CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029202075	0	56	0.0	-65.49	407.22	4.84	-60.65
C[N@@H+](CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029202075	1	56	0.0	-64.95	410.54	5.10	-59.85
CC[C@@H](C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029202086	0	50	0.0	-60.67	371.03	3.56	-57.11
CC(COCC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCC1	REAL300029202094	0	58	0.0	-67.62	439.21	5.32	-62.30
CC1(CNC(=O)C2CC[NH+](CC3CC3)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202182	0	58	0.0	-69.53	433.87	6.44	-63.09
C[NH+]1CCC(O)(CC(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029202332	0	55	0.0	-70.47	407.71	2.89	-67.58
COCC[N@@H+]1CCCC1CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202339	0	58	0.0	-53.79	431.10	4.39	-49.40
COCC[N@H+]1CCCC1CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202339	1	58	0.0	-66.87	438.79	3.94	-62.93
C[NH+](C)CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202347	0	44	0.0	-65.20	340.63	2.56	-62.64
CC1(CNC(=O)C[NH+]2CCC(CO)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202352	1	55	0.0	-67.16	413.97	1.62	-65.54
CC1(CNC(=O)C[NH+]2CCCCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202356	0	54	0.0	-63.55	391.17	4.62	-58.93
CN1C=C[N+](CC(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029202361	0	46	0.0	-65.79	371.32	6.01	-59.78
C[N@@H+]1CCCC(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029202372	0	51	0.0	-69.71	384.67	4.13	-65.58
C[N@H+]1CCCC(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029202372	1	51	0.0	-62.85	378.98	4.33	-58.52
CC1(CNC(=O)C2CCC[N@@H+]2C2CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202378	0	52	0.0	-61.81	392.20	4.35	-57.46
CC1(CNC(=O)C2CCC[N@H+]2C2CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202378	1	52	0.0	-67.43	390.32	4.36	-63.07
CC(C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300029202415	1	48	0.0	-61.82	370.31	3.45	-58.37
CCC(CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029202424	0	56	0.0	-67.19	415.13	5.12	-62.07
C[NH+](C)CC(C)(C)C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202433	0	53	0.0	-72.75	388.91	4.25	-68.50
CC1(CNC(=O)C23CC(C2)C[N@@H+]3C2CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202456	0	53	0.0	-60.41	405.32	4.92	-55.49
CC1(CNC(=O)C23CC(C2)C[N@H+]3C2CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202456	1	53	0.0	-50.65	388.13	6.33	-44.32
CC1(CNC(=O)C[NH+]2CCC(O)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202479	1	52	0.0	-66.61	393.44	1.08	-65.53
C[N@H+](CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029202481	0	48	0.0	-63.48	369.48	3.91	-59.57
C[N@@H+](CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029202481	1	48	0.0	-62.63	369.48	3.91	-58.72
CC(C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300029202482	1	56	0.0	-71.02	413.04	2.26	-68.76
C[NH+]1CC(CC(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029202511	0	48	0.0	-65.78	372.07	3.39	-62.39
CC1(CNC(=O)C2CC[N@@H+]2C2CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202515	0	55	0.0	-66.86	407.36	4.97	-61.89
CC1(CNC(=O)C2CC[N@H+]2C2CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202515	1	55	0.0	-64.53	411.32	5.28	-59.25
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202523	0	54	0.0	-60.31	383.62	4.18	-56.13
CC(C)(C)[N@H+]1CCC1C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202523	1	54	0.0	-61.81	386.82	3.29	-58.52
CC1(CNC(=O)C2CCN(C3=CC=[NH+]C=C3)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202534	0	54	0.0	-64.15	414.99	3.09	-61.06
C[C@@H](C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029202537	0	47	0.0	-62.38	357.95	2.85	-59.53
CCC1CCC[N@H+](CC(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029202589	0	57	0.0	-66.34	413.92	5.09	-61.25
CCC1CCC[N@@H+](CC(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029202589	1	57	0.0	-64.62	414.02	5.58	-59.04
C[NH+](C)CC1=CC=C(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)N1	REAL300029202598	0	52	0.0	-78.19	406.94	3.73	-74.46
C[NH+]1C2CCC1CC(CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300029202613	0	58	0.0	-73.31	406.77	5.07	-68.24
CC1(CNC(=O)CN2C=CSC2=[NH2+])CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202659	0	44	0.0	-59.97	367.17	2.74	-57.23
C[N@H+](CCO)CCC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202672	0	51	0.0	-68.11	391.08	0.56	-67.55
C[N@@H+](CCO)CCC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202672	1	51	0.0	-67.76	390.22	0.43	-67.33
C[C@@H](C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029202673	0	47	0.0	-62.38	357.95	2.85	-59.53
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202677	0	51	0.0	-61.36	373.09	3.91	-57.45
C[N@H+]1CCCC[C@@H]1C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202677	1	51	0.0	-65.61	382.22	4.21	-61.40
CC1CN2CC[N@@H+]1CC2C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202687	0	54	0.0	-76.11	393.26	1.50	-74.61
CC1CN2CC[N@H+]1CC2C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202687	1	54	0.0	-78.41	391.19	1.34	-77.07
COC1C[N@@H+]2CCCC2(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029202736	0	56	0.0	-60.72	418.49	3.43	-57.29
COC1C[N@H+]2CCCC2(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029202736	1	56	0.0	-57.21	414.02	3.21	-54.00
CC1(CNC(=O)CC2=CC3=C[NH+]=CN3C=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202752	0	49	0.0	-69.15	395.03	6.75	-62.40
C[N@H+](CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029202785	0	52	0.0	-69.98	399.43	4.75	-65.23
C[N@@H+](CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029202785	1	52	0.0	-71.26	399.53	4.80	-66.46
C[NH+](C)CC1=CC(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)=CC=N1	REAL300029202824	1	53	0.0	-68.49	414.23	4.59	-63.90
C[N@@H+]1CCC(=CC(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029202826	0	49	0.0	-71.69	378.56	4.13	-67.56
C[N@H+]1CCC(=CC(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029202826	1	49	0.0	-72.03	379.52	4.11	-67.92
CC1(CNC(=O)C2C[NH+](C3CCCCC3)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202853	0	58	0.0	-66.17	432.07	5.91	-60.26
C[NH+](C)CCOCC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202871	0	51	0.0	-70.25	396.09	3.57	-66.68
CCCCC[N@H+](C)CCC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202878	0	59	0.0	-68.10	445.22	6.09	-62.01
CCCCC[N@@H+](C)CCC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202878	1	59	0.0	-68.46	445.22	6.08	-62.38
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029202888	0	55	0.0	-70.88	417.71	4.69	-66.19
C=CCC(C)(C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029202900	0	54	0.0	-60.99	391.95	4.28	-56.71
C[S+](C)CCC(O)C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202905	0	50	0.0	-78.86	403.83	1.93	-76.93
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202940	0	52	0.0	-58.82	370.91	1.32	-57.50
CN1CC[N@H+](C)CC(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029202955	0	56	0.0	-65.74	410.65	2.63	-63.11
CN1CC[N@@H+](C)CC(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029202955	1	56	0.0	-65.74	410.65	2.63	-63.11
CC(C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)N1CCCC(O)C1	REAL300029202956	0	55	0.0	-60.77	410.91	1.46	-59.31
CC(C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300029202956	1	55	0.0	-59.27	409.09	1.70	-57.57
CC(C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[N@H+]1CCCC(O)C1	REAL300029202956	1	55	0.0	-59.27	409.09	1.70	-57.57
CC1(CNC(=O)CN2CCC(CO)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202971	0	55	0.0	-67.16	413.97	1.62	-65.54
CC1(CNC(=O)C[NH+]2CCC(CO)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202971	1	55	0.0	-67.16	413.97	1.62	-65.54
C[N@@H+]1CCCC(O)(CC(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029202981	0	55	0.0	-59.00	410.87	2.84	-56.16
C[N@H+]1CCCC(O)(CC(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029202981	1	55	0.0	-59.00	410.87	2.84	-56.16
CC1CN(CC(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029202985	0	48	0.0	-64.34	371.84	3.67	-60.67
CC1C[NH+](CC(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029202985	1	48	0.0	-64.34	371.84	3.67	-60.67
CC1(CNC(=O)CN2CCC(C(N)=O)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202990	0	55	0.0	-78.18	418.20	0.99	-77.19
CC1(CNC(=O)C[NH+]2CCC(C(N)=O)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202990	1	55	0.0	-78.18	418.20	0.99	-77.19
CN(CCO)CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203015	0	48	0.0	-67.17	368.22	-0.00	-67.17
C[N@H+](CCO)CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203015	1	48	0.0	-66.10	367.74	-0.18	-66.28
C[N@@H+](CCO)CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203015	1	48	0.0	-66.10	367.74	-0.18	-66.28
C[NH+]1C2CCC1CC(=CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300029203038	0	56	0.0	-69.98	413.41	5.23	-64.75
CC1(CNC(=O)C2C[N@@H+]3CCN2CCC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203043	0	54	0.0	-67.14	386.87	2.27	-64.87
CC1(CNC(=O)C2C[N@H+]3CCN2CCC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203043	1	54	0.0	-67.14	386.87	2.27	-64.87
CC[N@@H+]1CCCC(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029203052	0	54	0.0	-59.61	396.06	4.98	-54.63
CC[N@H+]1CCCC(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029203052	1	54	0.0	-59.61	396.06	4.98	-54.63
CC(CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029203054	0	53	0.0	-70.30	397.81	4.56	-65.74
CC[N@H+](C)CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203070	0	47	0.0	-64.98	357.81	3.17	-61.81
CC1(CNC(=O)C23CCC[N@@H+]2CCCC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203099	0	55	0.0	-54.23	380.29	5.44	-48.79
CC1(CNC(=O)C23CCC[N@H+]2CCCC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203099	1	55	0.0	-54.23	380.29	5.44	-48.79
CC1(CNC(=O)C23CCC[N@@H+]2CC=CC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203109	0	53	0.0	-53.39	377.90	5.31	-48.08
CC1(CNC(=O)C23CCC[N@H+]2CC=CC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203109	1	53	0.0	-53.39	377.90	5.31	-48.08
CC[N@H+](CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029203137	0	51	0.0	-63.68	385.51	4.52	-59.16
CC[NH+](CC)CCC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203162	0	53	0.0	-68.19	393.82	4.09	-64.10
CC1(CNC(=O)CCCC[NH+]2CCCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203202	0	60	0.0	-70.38	446.63	6.49	-63.89
CC1(O)CC[N@H+](CC(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029203237	0	52	0.0	-66.43	396.70	1.00	-65.43
C[NH+](C)CC=CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203250	0	48	0.0	-69.42	376.59	3.78	-65.64
CC(OCC[NH+](C)C)C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203277	0	54	0.0	-70.29	415.88	4.26	-66.03
C[NH+](C)CCOCCC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203288	0	54	0.0	-67.40	417.05	3.30	-64.10
COCCN(C)CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203289	0	51	0.0	-65.65	389.92	2.24	-63.41
COCC[N@H+](C)CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203289	1	51	0.0	-67.08	390.54	2.41	-64.67
COCC[N@@H+](C)CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203289	1	51	0.0	-67.08	390.54	2.41	-64.67
COCCCC[N@H+](C)CCC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203321	0	60	0.0	-71.20	457.40	4.37	-66.83
COCCCC[N@@H+](C)CCC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203321	1	60	0.0	-71.20	457.40	4.37	-66.83
C[NH+](C)C1(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029203347	0	54	0.0	-58.35	372.55	5.14	-53.21
CC(CCC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029203350	0	53	0.0	-69.00	397.45	4.25	-64.75
CCN1CCC1C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203360	0	48	0.0	-63.11	364.80	3.21	-59.90
CC[N@@H+]1CCC1C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203360	1	48	0.0	-65.17	371.66	3.51	-61.66
CC[N@H+]1CCC1C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203360	1	48	0.0	-65.17	371.66	3.51	-61.66
CC(C)[N@@H+]1CCCC(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029203373	0	57	0.0	-65.72	419.10	5.38	-60.34
CC(C)[N@H+]1CCCC(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029203373	1	57	0.0	-65.72	419.10	5.38	-60.34
CC1(CNC(=O)C[N@@H+]2CCCC2CO)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203388	0	52	0.0	-65.05	394.64	1.00	-64.05
CC1(CNC(=O)C2CC3CCCC[N@@H+]3C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203415	0	55	0.0	-62.98	407.30	5.28	-57.70
CC1(CNC(=O)C2CC3CCCC[N@H+]3C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203415	1	55	0.0	-62.98	407.30	5.28	-57.70
C[NH+]1CCC(C)(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029203424	0	54	0.0	-74.09	397.28	4.55	-69.54
CC(C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)N1CCC(O)CC1	REAL300029203451	0	55	0.0	-63.27	410.95	1.46	-61.81
CC(C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300029203451	1	55	0.0	-63.27	410.95	1.46	-61.81
C=CCC(C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029203467	0	51	0.0	-64.58	383.65	4.15	-60.43
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203485	0	54	0.0	-68.92	400.45	4.10	-64.82
C[NH+](C)CCCCCC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203490	0	56	0.0	-71.00	427.49	5.48	-65.52
CC1C[N@@H+]2CCN1C(C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300029203538	0	54	0.0	-78.79	393.38	1.59	-77.20
CCCC(C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029203539	0	53	0.0	-65.74	391.72	4.39	-61.35
C[NH+](C)C(C)(C)C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203544	0	50	0.0	-56.34	363.00	4.08	-52.26
CC[NH+](CC)CCSCC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203585	0	57	0.0	-71.69	442.55	5.80	-65.89
C[N@@H+]1CCCCC1C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203597	0	51	0.0	-67.75	372.48	3.85	-63.90
C[N@H+]1CC=C(CC(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029203649	0	52	0.0	-67.75	399.32	4.90	-62.85
C[N@@H+]1CC=C(CC(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029203649	1	52	0.0	-67.75	399.32	4.90	-62.85
CC1(CNC(=O)CC2([NH+]3CCCC3)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203659	0	55	0.0	-63.03	405.64	5.30	-57.73
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029203718	0	60	0.0	-71.77	429.75	5.60	-66.17
C[N@H+]1CCCC(C(C)(C)C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029203718	1	60	0.0	-70.77	430.49	5.60	-65.17
C[NH+](C)CC1=CC=C(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029203723	1	51	0.0	-76.77	403.57	4.22	-72.55
C[NH+](C)CC1=CC=C(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C=N1	REAL300029203729	0	53	0.0	-74.41	414.60	4.21	-70.20
CC1(CNC(=O)C=CC[NH+]2CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203747	0	52	0.0	-71.85	402.40	4.97	-66.88
CC1(CNC(=O)C2CC[NH+](C3CC3)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203774	0	55	0.0	-66.05	409.53	5.37	-60.68
C[NH+](C)C1(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029203799	0	48	0.0	-55.49	357.99	4.31	-51.18
CC1(CNC(=O)CC[NH+]2CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203803	0	51	0.0	-67.22	388.41	4.23	-62.99
CC1(CNC(=O)C2C[NH+]3CCN2CC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203850	0	51	0.0	-78.58	376.61	0.98	-77.60
C[N@@H+]1CC2CC1(C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300029203861	0	49	0.0	-71.65	371.77	3.68	-67.97
C[N@H+]1CC2CC1(C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300029203861	1	49	0.0	-47.66	348.09	4.41	-43.25
CC1(CNC(=O)C[N@@H+]2CC3CCC2C3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203877	0	52	0.0	-62.60	384.15	4.34	-58.26
CC1(CNC(=O)C[N@H+]2CC3CCC2C3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203877	1	52	0.0	-63.49	386.60	4.66	-58.83
CC(C)[NH+]1CCC(CC(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029203889	0	60	0.0	-65.02	433.96	5.82	-59.20
CC1(CNC(=O)C=C2C[NH+]3CCC2CC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203940	0	53	0.0	-66.20	396.28	4.96	-61.24
CC1(CNC(=O)C[N@@H+]2CC3C=CC2C3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203952	1	50	0.0	-63.49	379.50	4.45	-59.04
CC1(CNC(=O)C[N@H+]2CC3C=CC2C3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203952	1	50	0.0	-62.28	378.89	4.34	-57.94
CC[NH+]1CCN(CC(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029203991	0	56	0.0	-69.43	416.95	2.76	-66.67
CC(C[NH+](C)C)C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204017	0	50	0.0	-66.04	378.39	3.90	-62.14
C[N@@H+]1CCCCC1CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204119	0	54	0.0	-55.42	392.42	4.63	-50.79
C[N@H+]1CCCCC1CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204119	1	54	0.0	-68.23	399.86	4.83	-63.40
CC1=C2C=C(C(=O)NCC3(C)CCCN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029204142	1	49	0.0	-72.04	392.43	6.58	-65.46
CC(C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300029204143	1	51	0.0	-61.65	389.77	4.26	-57.39
CC1CC[N@@H+]1CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204147	1	48	0.0	-65.07	371.36	3.61	-61.46
CC1CC[N@H+]1CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204147	1	48	0.0	-62.36	371.90	3.64	-58.72
C[NH+](C)CC(O)CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204152	0	51	0.0	-72.20	393.33	1.57	-70.63
CC1C[N@H+](C)CC(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029204190	1	52	0.0	-54.40	391.88	3.46	-50.94
CC1C[N@@H+](C)CC(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029204190	1	52	0.0	-54.16	392.10	3.60	-50.56
CC1(CNC(=O)CC[NH+]2CCC(O)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204202	0	55	0.0	-70.03	415.18	1.64	-68.39
CCC[N@@H+]1CCCCC1C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204205	0	57	0.0	-63.93	412.49	5.41	-58.52
CCC[N@H+]1CCCCC1C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204205	1	57	0.0	-64.57	412.53	5.32	-59.25
CC[NH+]1CCN(CCC(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029204210	0	59	0.0	-68.73	438.25	3.20	-65.53
CCN1CC[NH+](CCC(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029204210	1	59	0.0	-66.94	439.23	3.22	-63.72
CC1(CNC(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204213	0	58	0.0	-69.85	410.89	5.22	-64.63
CC1(CNC(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204213	1	58	0.0	-56.63	415.26	5.95	-50.68
CC(C)C[NH+]1CCC(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029204261	0	60	0.0	-71.32	440.91	6.08	-65.24
C[NH+](C)C1CCN(CC(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029204287	0	59	0.0	-71.58	433.53	3.28	-68.30
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029204309	0	51	0.0	-72.45	389.67	4.30	-68.15
CC(CC[NH+](C)C)C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204317	0	53	0.0	-70.03	400.67	4.45	-65.58
C[N@H+](CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029204351	0	55	0.0	-60.52	411.21	2.00	-58.52
C[N@@H+](CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029204351	1	55	0.0	-63.51	411.06	1.78	-61.73
C[NH+]1CCN(CC(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029204366	1	53	0.0	-71.07	399.22	2.08	-68.99
CC[NH+]1CCN(CC(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029204375	0	56	0.0	-69.43	416.95	2.76	-66.67
CC1(CNC(=O)CSC(N)=[NH2+])CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204407	0	42	0.0	-67.41	349.16	-0.56	-67.97
CC[N@@H+]1CCOCC1CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204455	0	55	0.0	-72.51	403.11	2.85	-69.66
C[NH+](C)CCC1(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029204474	0	60	0.0	-81.64	441.67	6.09	-75.55
CC1CCCC(C)[NH+]1CCC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204476	0	60	0.0	-64.20	430.52	5.61	-58.59
C[NH+](C)C1CCC(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029204479	0	57	0.0	-75.47	418.85	5.33	-70.14
C[NH+](C)CCC1(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029204480	0	54	0.0	-61.17	406.96	5.54	-55.63
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029204484	0	57	0.0	-55.19	412.38	5.19	-50.00
C[N@@H+]1CC=CCC1CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204485	0	52	0.0	-54.94	386.79	4.50	-50.44
C[N@H+]1CC=CCC1CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204485	1	52	0.0	-54.94	386.79	4.50	-50.44
C[C@@H](OCC[NH+](C)C)C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204515	0	54	0.0	-70.26	415.84	4.27	-65.99
C[NH+]1C2CCC1CC(C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300029204549	0	55	0.0	-72.03	381.04	4.73	-67.30
CC(C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300029204702	1	52	0.0	-67.44	395.39	4.30	-63.14
CCC1C[NH+](CC(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029204705	1	51	0.0	-64.74	393.24	4.43	-60.31
CC1(CNC(=O)C2C[NH+](C3CCOCC3)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204707	0	56	0.0	-67.54	423.33	3.53	-64.01
CC1(CNC(=O)C2([NH+]3CCCC3)CCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204709	0	55	0.0	-64.43	388.18	6.13	-58.30
C[N@H+]1CCC[C@H]1C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204720	1	48	0.0	-60.15	360.23	3.13	-57.02
CC1(CNC(=O)CC[N@H+]2CCC(F)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204730	1	51	0.0	-71.42	394.63	4.23	-67.19
COC1C[N@@H+](C)C(C)(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029204739	1	55	0.0	-75.50	410.50	2.95	-72.55
CC1(CNC(=O)CC[NH+]2CCCCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204752	0	57	0.0	-69.60	414.12	5.19	-64.41
CC1(CNC(=O)C[NH+]2CCCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204754	0	51	0.0	-64.66	382.10	4.43	-60.23
CC1C(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029204764	0	51	0.0	-71.45	378.27	3.59	-67.86
CC1C(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029204764	1	51	0.0	-63.13	381.27	3.78	-59.35
C[N@@H+]1CCCCC1CCC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204767	0	57	0.0	-69.46	420.91	5.36	-64.10
C[N@H+]1CCCCC1CCC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204767	1	57	0.0	-69.40	420.89	5.36	-64.04
CC1(CNC(=O)C2CC[N@@H+]3CCOCC23)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204803	0	53	0.0	-64.21	395.02	2.76	-61.45
CC1(CNC(=O)C2CC[N@H+]3CCOCC23)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204803	1	53	0.0	-67.55	395.10	2.83	-64.72
CC1=[NH+]C=C2C=CC(C(=O)NCC3(C)CCCN3C(=O)C3=CC(=O)[N-]O3)=CN21	REAL300029204811	0	49	0.0	-64.54	392.23	5.85	-58.69
CN1CCOCC1CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204831	0	52	0.0	-65.95	383.87	2.28	-63.67
C[N@@H+]1CCOCC1CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204831	1	52	0.0	-57.92	383.21	2.17	-55.75
C[N@H+]1CCOCC1CC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204831	1	52	0.0	-65.95	383.87	2.28	-63.67
CC1=C(C)[NH+]=C(CCC(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)N1	REAL300029204842	1	52	0.0	-61.55	410.86	3.85	-57.70
CC(C)C[N@@H+]1CCCC(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029204861	0	60	0.0	-66.24	441.68	6.23	-60.01
CC(C)C[N@H+]1CCCC(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029204861	1	60	0.0	-67.08	441.66	6.23	-60.85
C[N@@H+]1CCCC1C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029205028	0	48	0.0	-61.24	365.87	3.37	-57.87
C[N@H+]1CCCC1C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029205028	1	48	0.0	-61.15	365.54	3.48	-57.67
CC1=[NH+]C=CN1CCCC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029205222	1	52	0.0	-63.96	413.77	5.45	-58.51
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCCC[NH+]1CCOCC1	REAL300029205226	1	58	0.0	-69.43	441.06	4.13	-65.30
C[NH+](C)CC1=CC=C(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300029205230	0	54	0.0	-82.14	412.77	5.98	-76.16
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC[NH+]1CCOCC1	REAL300029205231	1	52	0.0	-67.60	398.06	2.56	-65.04
CCC[NH+](CCC)CCCC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029205250	0	62	0.0	-65.77	465.35	6.76	-59.01
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300029205278	1	46	0.0	-76.45	364.98	6.19	-70.26
C[NH+](C)C1CCCC(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029205343	0	57	0.0	-58.86	410.82	5.13	-53.73
C[N@@H+]1CCC(CC(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029205348	0	51	0.0	-64.93	390.00	4.29	-60.64
C[N@H+]1CCC(CC(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029205348	1	51	0.0	-67.37	389.92	4.24	-63.13
CCC(C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029205365	0	50	0.0	-58.12	370.75	3.40	-54.72
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300029205374	1	49	0.0	-76.57	400.22	4.32	-72.25
CC1CC2CCC(C(=O)N3CCCC3(C)CNC(=O)C3=CC(=O)[N-]O3)C[N@@H+]2C1	REAL300029205417	0	58	0.0	-56.91	421.51	5.89	-51.02
CC1CC2CCC(C(=O)N3CCCC3(C)CNC(=O)C3=CC(=O)[N-]O3)C[N@H+]2C1	REAL300029205417	1	58	0.0	-56.04	420.76	5.75	-50.29
C[NH+](C)CCCCC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029205446	0	53	0.0	-68.24	408.17	4.68	-63.56
CCC[N@H+](C)CCC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029205467	0	53	0.0	-66.12	404.41	4.48	-61.64
CCC[N@@H+](C)CCC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029205467	1	53	0.0	-64.95	404.77	4.66	-60.29
CCC[N@H+](C)CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029205471	0	50	0.0	-63.42	381.97	3.90	-59.52
CCC[N@@H+](C)CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029205471	1	50	0.0	-62.40	382.41	4.08	-58.32
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C12CC[N@H+](C1)CCC2	REAL300029205494	0	52	0.0	-69.29	375.90	3.32	-65.97
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300029205494	1	52	0.0	-66.96	376.37	3.53	-63.43
CCCCCC[N@H+](C)CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029205533	0	59	0.0	-63.91	446.96	6.34	-57.57
CCCCCC[N@@H+](C)CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029205533	1	59	0.0	-63.52	446.91	6.42	-57.10
CC1CC[NH+](CC(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029205579	0	54	0.0	-64.29	405.98	5.14	-59.15
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300029205604	1	49	0.0	-73.90	392.99	4.15	-69.75
C[NH+]1CCC(OCC(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029205611	0	55	0.0	-72.26	423.22	4.67	-67.59
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC2CCCC[N@@H+]2C1	REAL300029205669	0	55	0.0	-64.12	407.80	5.13	-58.99
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC2CCCC[N@H+]2C1	REAL300029205669	1	55	0.0	-60.77	409.15	5.27	-55.50
C[NH+](C)CC1(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029205681	0	51	0.0	-72.68	389.64	4.03	-68.65
CC1=[NH+]C=C2CCC(C(=O)N3CCCC3(C)CNC(=O)C3=CC(=O)[N-]O3)CN21	REAL300029205682	1	53	0.0	-60.67	406.31	5.01	-55.66
CC(C)[NH+]1CCC(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029205692	0	57	0.0	-65.31	413.47	4.92	-60.39
CC[N@H+](C)CCC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029205726	0	50	0.0	-64.54	383.27	3.91	-60.63
CC[N@@H+](C)CCC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029205726	1	50	0.0	-64.33	383.27	3.91	-60.42
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1C[NH+]2CCC1CC2	REAL300029205771	0	52	0.0	-63.31	380.94	4.08	-59.23
C[NH+]1CCC(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029205853	0	51	0.0	-70.86	387.42	4.05	-66.81
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[NH+](CC2CC2)CC1	REAL300029205940	0	58	0.0	-70.24	436.59	6.24	-64.00
CC[NH+](CC)CC(F)C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029205983	0	53	0.0	-70.62	398.34	4.11	-66.51
CC(C)C[N@@H+]1CCC(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029206017	0	57	0.0	-62.96	424.88	5.47	-57.49
CC(C)C[N@H+]1CCC(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029206017	1	57	0.0	-62.28	425.23	5.36	-56.92
CCC(C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300029206046	0	56	0.0	-58.74	402.70	4.60	-54.14
CC1CCC[N@@H+]1CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029206071	0	51	0.0	-59.26	389.24	4.34	-54.92
CC1CCC[N@H+]1CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029206071	1	51	0.0	-60.51	381.44	3.85	-56.66
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029206148	1	55	0.0	-59.71	428.23	5.68	-54.03
CC(C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300029206152	0	57	0.0	-60.84	407.48	5.02	-55.82
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029206183	0	54	0.0	-59.23	400.21	4.45	-54.78
CC(C)[N@H+]1CCCC1C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029206183	1	54	0.0	-58.47	382.27	5.24	-53.23
CC(C)[N@@H+]1CCCC1CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029206192	0	57	0.0	-60.62	414.20	4.71	-55.91
CC(C)[N@H+]1CCCC1CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029206192	1	57	0.0	-65.21	412.34	4.74	-60.47
CC1CC[N@H+](CC(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029206238	0	51	0.0	-62.02	388.18	4.17	-57.85
CC1CC[N@@H+](CC(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029206238	1	51	0.0	-62.94	388.81	4.22	-58.72
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029206239	0	57	0.0	-57.44	421.39	4.70	-52.74
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029206239	1	57	0.0	-64.75	420.25	4.64	-60.11
CC1=[NH+]C=C2CC(C(=O)N3CCCC3(C)CNC(=O)C3=CC(=O)[N-]O3)CCN21	REAL300029206240	1	53	0.0	-63.42	412.19	5.15	-58.27
CC1(C)CC[N@H+](CC(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029206243	0	54	0.0	-62.07	407.82	4.76	-57.31
CC1(C)CC[N@@H+](CC(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029206243	1	54	0.0	-62.45	408.36	4.76	-57.69
C[N@H+](CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029206244	0	56	0.0	-63.26	410.34	4.89	-58.37
C[N@@H+](CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029206244	1	56	0.0	-62.46	413.29	5.18	-57.28
CC[C@@H](C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029206253	0	50	0.0	-62.15	369.72	3.37	-58.78
CC(COCC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCC1	REAL300029206260	0	58	0.0	-64.21	441.85	5.32	-58.89
CN(CCC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)C1=CC=[NH+]C=C1	REAL300029206405	0	53	0.0	-65.93	417.91	4.36	-61.57
CC1=[NH+]C=CN1CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029206513	1	46	0.0	-61.52	372.13	4.11	-57.41
CC(C[NH+]1CCOCC1)C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029206515	1	55	0.0	-66.71	409.77	2.94	-63.77
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCC[NH+]1CCCCC1	REAL300029206533	0	57	0.0	-64.51	428.22	5.90	-58.61
C[NH+](C)CC1=CC(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)=NO1	REAL300029206548	1	50	0.0	-70.37	399.69	3.91	-66.46
CC1=C(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300029206550	0	49	0.0	-75.62	390.54	6.99	-68.63
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029206596	1	52	0.0	-59.32	408.39	5.23	-54.09
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300029206643	0	55	0.0	-58.58	402.15	5.78	-52.80
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCCC2CCC[N@H+]21	REAL300029206643	1	55	0.0	-56.19	408.68	5.19	-51.00
CC[N@@H+]1CCOC(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029206674	1	52	0.0	-70.56	393.48	3.38	-67.18
CC[N@H+]1CCOC(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029206674	1	52	0.0	-71.44	386.34	3.15	-68.29
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300029206736	0	46	0.0	-69.52	364.74	6.18	-63.34
CC1=C[NH+]=CN1CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029206741	1	46	0.0	-60.82	371.45	4.79	-56.03
C[NH+](C)CCN1C=C(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C=N1	REAL300029206746	0	54	0.0	-74.84	418.01	4.17	-70.67
C[NH+](C)CCN1C=CC(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300029206759	0	54	0.0	-75.29	425.28	4.39	-70.90
C[C@@H]1[C@H](C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029206766	0	51	0.0	-62.47	376.40	4.12	-58.35
C[C@@H]1[C@H](C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029206766	1	51	0.0	-68.34	384.41	4.20	-64.14
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029206768	1	55	0.0	-58.15	429.12	5.91	-52.24
CC[C@@H]1[C@@H](C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029206771	0	54	0.0	-68.14	395.28	4.14	-64.00
CC[C@@H]1[C@@H](C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029206771	1	54	0.0	-63.11	402.49	4.38	-58.73
CC1CCC(C)[NH+]1CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029206787	0	54	0.0	-61.14	399.80	4.56	-56.58
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCC[NH+]1CCCC1	REAL300029206794	0	54	0.0	-65.53	412.62	5.08	-60.45
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029206795	0	54	0.0	-67.84	412.90	6.15	-61.69
C#CC[NH+]1CCC(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029206801	0	53	0.0	-68.57	412.14	5.19	-63.38
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC[NH+]1CCCCC1	REAL300029206802	0	54	0.0	-64.69	406.80	4.98	-59.71
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1C=[NH+]C2=C1CCCC2	REAL300029206820	1	53	0.0	-64.54	414.74	6.74	-57.80
C[NH+](C)CC1(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL300029206853	0	60	0.0	-77.22	421.79	5.32	-71.90
C[N@H+](CCC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300029206857	0	60	0.0	-65.74	441.23	6.13	-59.61
C[N@@H+](CCC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300029206857	1	60	0.0	-66.80	441.21	6.14	-60.66
C[NH+](C)C1(CC(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029206860	0	57	0.0	-67.56	406.62	4.96	-62.60
C[N@H+](CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029207057	0	51	0.0	-61.89	388.95	4.48	-57.41
C[N@@H+](CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029207057	1	51	0.0	-61.14	389.29	4.64	-56.50
CC(C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300029207082	0	57	0.0	-59.43	409.78	4.78	-54.65
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCCC[NH+]1CCCC1	REAL300029207101	0	57	0.0	-65.58	434.50	6.01	-59.57
C[N@H+](CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029207104	1	54	0.0	-67.51	419.40	6.09	-61.42
C[N@@H+](CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029207104	1	54	0.0	-66.42	419.88	6.24	-60.18
C[NH+]1CCC(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029207119	0	51	0.0	-70.86	387.42	4.05	-66.81
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029207171	0	48	0.0	-59.04	361.37	2.97	-56.07
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029207171	1	48	0.0	-61.41	366.23	3.31	-58.10
C[N@@H+]1CCCC1CCC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029207202	0	54	0.0	-64.92	410.16	5.04	-59.88
C[N@H+]1CCCC1CCC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029207202	1	54	0.0	-65.21	404.90	4.67	-60.54
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300029207218	0	55	0.0	-62.25	402.45	5.00	-57.25
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCC2CCCC[N@H+]21	REAL300029207218	1	55	0.0	-61.97	402.09	4.94	-57.03
CCC[N@@H+]1CCCC(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029207295	0	57	0.0	-57.21	416.79	5.58	-51.63
CCC[N@H+]1CCCC(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029207295	1	57	0.0	-65.18	422.25	5.33	-59.85
CC(C)[N@@H+]1CCOC(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029207311	1	55	0.0	-75.31	410.95	3.88	-71.43
CC(C)[N@H+]1CCOC(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029207311	1	55	0.0	-79.72	406.98	4.41	-75.31
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[NH+]1CCC(CO)CC1	REAL300029207385	0	55	0.0	-64.89	416.17	1.65	-63.24
C[NH+]1C2CCC1CC(=CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029207422	0	56	0.0	-62.81	415.81	5.60	-57.21
CC1C(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029207440	0	51	0.0	-69.33	379.79	3.90	-65.43
CC1C(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029207440	1	51	0.0	-60.33	381.86	3.67	-56.66
C[N@@H+]1CCCCC1CCC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029207444	0	57	0.0	-64.50	424.44	5.60	-58.90
C[N@H+]1CCCCC1CCC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029207444	1	57	0.0	-62.13	424.24	5.57	-56.56
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC2=C(CCC2)[NH+]=C1N	REAL300029207477	1	51	0.0	-60.72	392.18	3.85	-56.87
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029207543	0	54	0.0	-59.95	381.37	3.50	-56.45
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029207543	1	54	0.0	-62.76	383.83	3.44	-59.32
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300029207561	0	54	0.0	-66.78	415.71	3.09	-63.69
C[C@@H](C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029207566	0	47	0.0	-64.36	359.65	2.85	-61.51
C[NH+](C)CC1=CC(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)=CC=N1	REAL300029207586	1	53	0.0	-65.00	408.69	4.71	-60.29
C=CCC(C)(C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029207592	0	54	0.0	-57.00	386.86	3.95	-53.05
CC[NH+](CC)CCSCC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029207625	0	57	0.0	-68.35	441.42	5.67	-62.68
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=C(N)C2=CC=CC=C2[NH+]=C1	REAL300029207626	1	50	0.0	-64.48	389.34	3.23	-61.25
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC[NH+]1CCCC1	REAL300029207631	0	51	0.0	-64.86	391.13	4.27	-60.59
C[N@H+](CCO)CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029207640	1	48	0.0	-64.41	371.27	0.10	-64.31
C[N@@H+](CCO)CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029207640	1	48	0.0	-62.92	370.85	-0.05	-62.97
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1C[N@@H+]2CCN1CCC2	REAL300029207678	0	54	0.0	-63.11	389.84	1.82	-61.29
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1C[N@H+]2CCN1CCC2	REAL300029207678	1	54	0.0	-67.78	385.66	1.86	-65.92
CC(C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300029207705	1	52	0.0	-66.16	394.14	4.27	-61.89
C[N@H+]1CC=C(CC(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029207749	0	52	0.0	-64.67	401.83	4.85	-59.82
C[N@@H+]1CC=C(CC(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029207749	1	52	0.0	-62.71	402.39	4.96	-57.75
C[S+](C)CCC(O)C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029207764	0	50	0.0	-64.00	403.30	1.84	-62.16
CN1CC[N@H+](C)CC(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029207803	0	56	0.0	-62.76	411.04	2.38	-60.38
CN1CC[N@@H+](C)CC(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029207803	1	56	0.0	-61.56	413.71	2.44	-59.12
CC(C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300029207804	0	55	0.0	-63.74	406.14	1.99	-61.75
CC(C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)[N@H+]1CCCC(O)C1	REAL300029207804	1	55	0.0	-63.31	411.22	1.50	-61.81
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029207843	0	55	0.0	-64.96	410.24	2.89	-62.07
C[N@H+]1CCCC(O)(CC(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029207843	1	55	0.0	-57.39	412.83	2.80	-54.59
CC1C[NH+](CC(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029207849	1	48	0.0	-64.00	374.65	3.77	-60.23
CC[N@@H+]1CCCC(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029207855	0	54	0.0	-57.63	394.57	4.52	-53.11
CC[N@H+]1CCCC(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029207855	1	54	0.0	-63.70	401.38	4.70	-59.00
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1=CC=C[NH+]=C1N	REAL300029207866	0	47	0.0	-62.56	376.98	2.32	-60.24
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCC[N@@H+]1C1CC1	REAL300029207879	0	52	0.0	-59.80	397.54	4.85	-54.95
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCC[N@H+]1C1CC1	REAL300029207879	1	52	0.0	-65.13	378.65	4.80	-60.33
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C=CC[NH+]1CCCC1	REAL300029207929	0	52	0.0	-64.93	404.88	5.01	-59.92
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300029207954	0	55	0.0	-67.99	412.40	5.26	-62.73
CC[N@H+](C)CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029207999	0	47	0.0	-63.03	360.49	3.17	-59.86
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1CC2C=CC1C2	REAL300029208064	0	50	0.0	-61.59	382.17	4.48	-57.11
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@@H+]1CC2C=CC1C2	REAL300029208064	1	50	0.0	-61.42	382.59	4.56	-56.86
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@H+]1CC2C=CC1C2	REAL300029208064	1	50	0.0	-61.42	382.59	4.56	-56.86
CC1=CC=C(NCCC(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)N=C1	REAL300029208087	0	53	0.0	-61.79	421.67	3.94	-57.85
CC1=CC=C(NCCC(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)[NH+]=C1	REAL300029208087	1	53	0.0	-61.79	421.67	3.94	-57.85
CC(OCC[NH+](C)C)C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029208223	0	54	0.0	-66.58	414.63	4.01	-62.57
C[NH+](C)CCOCCC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029208235	0	54	0.0	-64.61	419.63	3.33	-61.28
COCCN(C)CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029208237	0	51	0.0	-62.38	393.10	2.36	-60.02
COCC[N@H+](C)CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029208237	1	51	0.0	-64.60	393.52	2.51	-62.09
COCC[N@@H+](C)CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029208237	1	51	0.0	-64.60	393.52	2.51	-62.09
CC(CCC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029208244	0	53	0.0	-70.51	396.15	4.28	-66.23
CC[N@H+](CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029208279	0	51	0.0	-66.55	381.06	5.05	-61.50
CC1C[N@@H+]2CCN1C(C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029208290	0	54	0.0	-77.71	392.27	1.40	-76.31
CC1=NC(N)=CC=C1C=CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029208332	0	51	0.0	-64.12	407.48	3.25	-60.87
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029208332	1	51	0.0	-64.12	407.48	3.25	-60.87
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@@H+]1CC2CCC1C2	REAL300029208340	0	52	0.0	-62.29	387.11	4.36	-57.93
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@H+]1CC2CCC1C2	REAL300029208340	1	52	0.0	-62.29	387.11	4.36	-57.93
CC(C)[NH+]1CCC(CC(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029208354	0	60	0.0	-65.01	437.36	6.03	-58.98
CC(C[NH+](C)C)C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029208368	0	50	0.0	-55.37	382.71	3.61	-51.76
CC[N@@H+]1CCC1C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029208420	0	48	0.0	-63.08	374.09	3.49	-59.59
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029208433	0	57	0.0	-55.58	411.02	5.17	-50.41
CC(C)[N@H+]1CCCC(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029208433	1	57	0.0	-55.58	411.02	5.17	-50.41
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029208451	0	56	0.0	-63.51	406.44	3.20	-60.31
C#CCN1CCCCC1C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029208501	0	53	0.0	-62.09	404.71	5.86	-56.23
C#CC[N@H+]1CCCCC1C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029208501	1	53	0.0	-65.91	396.72	5.59	-60.32
C#CC[N@@H+]1CCCCC1C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029208501	1	53	0.0	-65.91	396.72	5.59	-60.32
CNC1=NC(C)=CC=C1C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029208504	0	50	0.0	-62.55	387.54	3.71	-58.84
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029208504	1	50	0.0	-62.55	387.54	3.71	-58.84
CCCC(C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029208517	0	53	0.0	-58.45	392.24	4.16	-54.29
CC(CC[NH+](C)C)C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029208545	0	53	0.0	-65.39	402.36	4.24	-61.15
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300029208603	0	58	0.0	-59.79	416.39	5.83	-53.96
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300029208603	1	58	0.0	-59.79	416.39	5.83	-53.96
COCCCC[N@H+](C)CCC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029208680	0	60	0.0	-70.03	459.57	4.37	-65.66
COCCCC[N@@H+](C)CCC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029208680	1	60	0.0	-70.03	459.57	4.37	-65.66
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029208690	0	54	0.0	-58.90	405.10	4.66	-54.24
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029208690	1	54	0.0	-58.90	405.10	4.66	-54.24
C[NH+](C)CCCCCC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029208696	0	56	0.0	-68.35	429.66	5.46	-62.89
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC[NH+]1CCC(O)CC1	REAL300029208701	0	55	0.0	-66.70	417.81	1.75	-64.95
CCC[N@@H+]1CCCCC1C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029208706	0	57	0.0	-62.06	418.61	6.02	-56.04
CCC[N@H+]1CCCCC1C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029208706	1	57	0.0	-62.06	418.61	6.02	-56.04
CC[NH+]1CCN(CCC(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029208715	0	59	0.0	-65.60	441.41	3.21	-62.39
CCN1CC[NH+](CCC(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029208715	1	59	0.0	-65.60	441.41	3.21	-62.39
CN1CCN(CC(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029208719	0	53	0.0	-67.38	402.21	2.07	-65.31
C[NH+]1CCN(CC(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029208719	1	53	0.0	-67.38	402.21	2.07	-65.31
CC(C)C[NH+]1CCC(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029208843	0	60	0.0	-70.74	439.65	6.03	-64.71
CC1CN(C)CC(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300029208846	0	52	0.0	-74.41	389.51	3.06	-71.35
CC1C[N@H+](C)CC(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300029208846	1	52	0.0	-55.71	389.79	3.20	-52.51
CC1C[N@@H+](C)CC(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300029208846	1	52	0.0	-55.71	389.79	3.20	-52.51
CCC1CCC[N@H+](CC(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029208882	0	57	0.0	-60.50	416.26	5.16	-55.34
CCC1CCC[N@@H+](CC(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029208882	1	57	0.0	-63.19	423.77	5.62	-57.57
C[NH+](C)CC1=CC=C(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)N1	REAL300029208892	0	52	0.0	-87.59	400.83	4.68	-82.91
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[NH+]1CC2CC2C1	REAL300029208914	0	49	0.0	-63.55	377.28	4.34	-59.21
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1([NH+]2CCCC2)CC1	REAL300029208932	0	55	0.0	-61.38	409.06	5.36	-56.02
CC([NH2+]C1(CO)CCCC1)C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029208949	0	58	0.0	-60.01	423.84	0.39	-59.62
C[N@@H+]1CCCCC1C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029208978	0	51	0.0	-64.67	371.54	3.58	-61.09
C[N@H+]1CCCCC1C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029208978	1	51	0.0	-63.53	383.30	4.05	-59.48
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300029208984	1	55	0.0	-60.34	426.10	6.11	-54.23
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[N@H+]1CC1=CC=CC=C1	REAL300029208984	1	55	0.0	-67.96	434.42	6.66	-61.30
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029208991	0	60	0.0	-67.22	437.02	6.66	-60.56
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029208991	1	60	0.0	-64.89	439.36	6.01	-58.88
C[NH+](C)C1CCN(CC(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029209046	0	59	0.0	-67.79	436.52	3.27	-64.52
C[N@@H+]1CCC(=CC(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029209111	0	49	0.0	-68.14	381.45	4.21	-63.93
C[N@H+]1CCC(=CC(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029209111	1	49	0.0	-69.34	381.00	4.14	-65.20
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CNC1=CC=[NH+]C=C1	REAL300029209118	0	47	0.0	-65.50	378.51	1.79	-63.71
CC[NH+]1CCN(CC(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029209180	0	56	0.0	-66.42	419.99	2.84	-63.58
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C=C1C[NH+]2CCC1CC2	REAL300029209181	0	53	0.0	-61.28	398.16	4.97	-56.31
C[N@H+](CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029209240	0	55	0.0	-59.69	414.16	1.87	-57.82
C[N@@H+](CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029209240	1	55	0.0	-60.26	414.02	1.97	-58.29
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1C[NH+](C2CCOCC2)C1	REAL300029209249	0	56	0.0	-71.22	425.72	3.47	-67.75
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029209264	0	48	0.0	-57.75	368.39	3.37	-54.38
C[N@H+]1CCC[C@H]1C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029209264	1	48	0.0	-58.55	361.34	3.00	-55.55
CCN1CCOCC1CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029209302	0	55	0.0	-64.09	406.23	2.83	-61.26
CC[N@@H+]1CCOCC1CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029209302	1	55	0.0	-69.81	411.39	3.12	-66.69
CC[N@H+]1CCOCC1CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029209302	1	55	0.0	-69.81	411.39	3.12	-66.69
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1C[NH+](C2CCCCC2)C1	REAL300029209328	0	58	0.0	-60.78	434.11	6.02	-54.76
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C2NC(N)=NC2=C1	REAL300029209404	0	48	0.0	-69.34	378.17	3.76	-65.58
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C2NC(N)=[NH+]C2=C1	REAL300029209404	1	48	0.0	-69.34	378.17	3.76	-65.58
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029209449	0	51	0.0	-68.28	391.98	4.39	-63.89
CC1CCCC(C)[NH+]1CCC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029209461	0	60	0.0	-62.88	433.38	5.63	-57.25
C[NH+](C)C1CCC(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029209464	0	57	0.0	-49.84	410.67	4.87	-44.97
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029209468	0	57	0.0	-48.41	410.90	5.14	-43.27
C[N@@H+]1CC=CCC1CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029209469	0	52	0.0	-69.40	394.26	4.58	-64.82
C[N@H+]1CC=CCC1CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029209469	1	52	0.0	-60.80	388.94	4.53	-56.27
CC1=CC(C=CC(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)=C[NH+]=C1N	REAL300029209531	1	51	0.0	-66.28	407.74	3.56	-62.72
C[NH+](C)CCOCC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029209546	0	51	0.0	-65.86	399.09	3.62	-62.24
CCCCC[N@H+](C)CCC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029209553	0	59	0.0	-66.96	447.41	6.04	-60.92
CCCCC[N@@H+](C)CCC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029209553	1	59	0.0	-67.17	447.40	6.08	-61.09
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300029209565	0	55	0.0	-67.25	418.21	4.32	-62.93
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1C=CSC1=[NH2+]	REAL300029209591	0	44	0.0	-61.07	369.82	2.67	-58.40
C[C@@H](OCC[NH+](C)C)C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029209670	0	54	0.0	-57.77	410.52	4.53	-53.24
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC[NH+]1CCCCCC1	REAL300029209728	0	57	0.0	-66.71	417.21	5.32	-61.39
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[NH+]1CCCCC1	REAL300029209732	0	51	0.0	-62.83	385.16	4.37	-58.46
C[N@@H+]1CCCC(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029209734	0	51	0.0	-57.20	376.63	4.06	-53.14
C[N@H+]1CCCC(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029209734	1	51	0.0	-56.43	376.81	4.02	-52.41
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[NH+]1CCC(CO)CC1	REAL300029209736	0	55	0.0	-64.89	416.17	1.65	-63.24
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[NH+]1CCCCCC1	REAL300029209742	0	54	0.0	-61.52	394.07	4.55	-56.97
CN1C=C[N+](CC(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029209749	0	46	0.0	-58.72	374.38	6.18	-52.54
C[NH+](C)CC1=CC=C(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300029209767	1	51	0.0	-72.99	404.51	4.44	-68.55
C[NH+](C)CC1=CC=C(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C=N1	REAL300029209775	0	53	0.0	-75.84	408.67	4.60	-71.24
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[NH+]1CCC(O)CC1	REAL300029209789	0	52	0.0	-67.61	395.57	0.99	-66.62
C[N@H+](CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029209796	0	48	0.0	-60.89	372.08	3.91	-56.98
C[N@@H+](CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029209796	1	48	0.0	-60.55	372.58	4.08	-56.47
CC(C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300029209798	1	56	0.0	-65.49	411.54	2.20	-63.29
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC[N@@H+]1CCC(F)C1	REAL300029209803	0	51	0.0	-69.57	396.82	4.30	-65.27
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC[N@H+]1CCC(F)C1	REAL300029209803	1	51	0.0	-71.12	396.88	4.33	-66.79
CC(CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029209838	0	53	0.0	-65.83	399.91	4.52	-61.31
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[N@@H+]2CCOCC12	REAL300029209858	0	53	0.0	-70.95	398.53	2.65	-68.30
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[N@H+]2CCOCC12	REAL300029209858	1	53	0.0	-61.11	393.47	2.92	-58.19
CC1=[NH+]C=C2C=CC(C(=O)N3CCCC3(C)CNC(=O)C3=CC(=O)[N-]O3)=CN21	REAL300029209866	0	49	0.0	-66.73	386.16	5.95	-60.78
C[N@@H+]1CCOCC1CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029209887	1	52	0.0	-55.46	385.90	2.20	-53.26
C[N@H+]1CCOCC1CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029209887	1	52	0.0	-54.51	386.37	2.31	-52.20
CC[NH+]1CCN(CC(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029209898	0	56	0.0	-66.42	419.99	2.84	-63.58
CC1=CC(N)=[NH+]C=C1C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029209952	1	47	0.0	-70.78	367.25	2.36	-68.42
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCC1=CC=C(N)[NH+]=C1	REAL300029209955	0	50	0.0	-66.04	401.83	3.03	-63.01
CC1(O)CC[N@H+](CC(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029210009	0	52	0.0	-61.68	398.75	0.91	-60.77
CC1(O)CC[N@@H+](CC(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029210009	1	52	0.0	-64.52	399.79	1.03	-63.49
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029210019	0	54	0.0	-56.27	413.61	4.21	-52.06
C[NH+]1CC(CC(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029210050	0	48	0.0	-67.56	374.94	3.53	-64.03
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[N@@H+]1C1CCCC1	REAL300029210056	0	55	0.0	-65.60	415.43	5.55	-60.05
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[N@H+]1C1CCCC1	REAL300029210056	1	55	0.0	-65.12	406.66	4.88	-60.24
C[NH+](C)CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029210066	0	44	0.0	-63.84	342.80	2.50	-61.34
C[N@H+](CCO)CCC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029210107	0	51	0.0	-63.26	393.62	0.69	-62.57
C[N@@H+](CCO)CCC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029210107	1	51	0.0	-64.36	393.25	0.50	-63.86
C[C@@H](C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029210108	0	47	0.0	-64.36	359.65	2.85	-61.51
C[N@@H+]1CCCCC1CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029210128	0	54	0.0	-60.10	394.99	4.75	-55.35
C[N@H+]1CCCCC1CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029210128	1	54	0.0	-68.37	402.46	4.80	-63.57
CC1=C2C=C(C(=O)N3CCCC3(C)CNC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029210154	1	49	0.0	-75.20	386.88	6.75	-68.45
CC(C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300029210155	0	51	0.0	-61.45	387.75	3.98	-57.47
CC1CC[N@@H+]1CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029210160	0	48	0.0	-61.63	369.08	3.49	-58.14
CC1CC[N@H+]1CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029210160	1	48	0.0	-62.94	374.58	3.69	-59.25
C[NH+](C)CC=CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029210175	0	48	0.0	-65.27	379.80	3.84	-61.43
CC1(C)C[NH+](CC(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029210189	1	51	0.0	-62.43	393.85	4.29	-58.14
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCCC[NH+]1CCCCC1	REAL300029210203	0	60	0.0	-65.50	449.71	6.68	-58.82
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)N1	REAL300029210216	1	52	0.0	-59.83	413.05	3.81	-56.02
C[NH+]1CCC(C2(C(=O)N3CCCC3(C)CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029210226	0	58	0.0	-74.97	428.81	5.56	-69.41
CC1=C2C=C(C(=O)N3CCCC3(C)CNC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029210235	1	49	0.0	-75.20	386.88	6.75	-68.45
C[NH+](C)CCSCC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029210245	0	51	0.0	-70.08	410.16	4.57	-65.51
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC2=C(CCCC2)[NH+]=C1N	REAL300029210267	1	54	0.0	-60.27	408.81	4.41	-55.86
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@@H+]1CCCC1CO	REAL300029210275	0	52	0.0	-61.73	395.97	1.11	-60.62
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@H+]1CCCC1CO	REAL300029210275	1	52	0.0	-62.22	389.01	1.11	-61.11
CC[NH+](CC)CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029210278	0	50	0.0	-62.43	378.54	3.85	-58.58
C[N@H+](CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029210291	0	52	0.0	-67.85	402.79	4.94	-62.91
C[N@@H+](CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029210291	1	52	0.0	-71.13	402.77	4.92	-66.21
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[NH+]1CCC1	REAL300029210293	1	45	0.0	-64.03	352.90	2.93	-61.10
CC[NH+](CC)CCC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029210338	0	53	0.0	-65.61	396.39	4.18	-61.43
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[NH+]1CCC(C(N)=O)CC1	REAL300029210360	0	55	0.0	-74.73	420.39	1.03	-73.70
C[NH+](C)CC1=CNC(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029210406	0	52	0.0	-75.59	400.63	4.51	-71.08
CC(C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300029210426	0	55	0.0	-62.57	412.61	1.35	-61.22
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC2COCC[N@@H+]2C1	REAL300029210432	0	53	0.0	-65.18	397.55	2.81	-62.37
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC2COCC[N@H+]2C1	REAL300029210432	1	53	0.0	-67.12	398.58	2.68	-64.44
CC(C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300029210448	0	48	0.0	-60.78	364.02	3.03	-57.75
CCC(CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029210458	0	56	0.0	-63.18	418.24	5.17	-58.01
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C=CC1=CC=C(N)[NH+]=C1	REAL300029210465	0	48	0.0	-67.56	389.91	2.89	-64.67
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029210530	0	51	0.0	-64.66	371.54	3.59	-61.07
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029210530	1	51	0.0	-59.91	379.43	4.65	-55.26
CC1CN2CC[N@@H+]1CC2C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029210544	0	54	0.0	-74.52	392.25	1.30	-73.22
CC1CN2CC[N@H+]1CC2C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029210544	1	54	0.0	-75.24	390.79	1.23	-74.01
C[NH+](C)CC(O)CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029210569	0	51	0.0	-69.40	395.41	1.52	-67.88
C[NH+]1C2CCC1CC(C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029210572	0	55	0.0	-56.97	360.60	4.82	-52.15
C=CCC(C(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029210618	0	51	0.0	-57.28	384.20	3.88	-53.40
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC2CCCC[N@@H+]2C1	REAL300029210628	0	55	0.0	-64.12	407.80	5.13	-58.99
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC2CCCC[N@H+]2C1	REAL300029210628	1	55	0.0	-60.77	409.15	5.27	-55.50
C[NH+]1CCC(O)(CC(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029210644	0	55	0.0	-64.44	413.33	2.75	-61.69
COCC[N@@H+]1CCCC1CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029210659	0	58	0.0	-67.41	431.76	3.85	-63.56
COCC[N@H+]1CCCC1CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300029210659	1	58	0.0	-61.65	441.45	3.99	-57.66
C[NH+]1C2CCC1CC(CC(=O)N1CCCC1(C)CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029210668	0	58	0.0	-62.05	408.72	5.07	-56.98
C[NH+](C)CCN1N=CC=C1C(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029210706	0	54	0.0	-65.11	409.36	4.43	-60.68
C[NH+]1CCC(C2(C(=O)NCC3(C)CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029210753	0	58	0.0	-68.86	428.36	6.17	-62.69
CC1=C2C=C(C(=O)NCC3(C)CCCN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029210765	1	49	0.0	-72.04	392.43	6.58	-65.46
C[NH+](C)CCSCC(=O)NCC1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029210776	0	51	0.0	-73.02	407.52	4.49	-68.53
CC1(CNC(=O)C2CC3COCC[N@@H+]3C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029210788	0	53	0.0	-63.17	399.03	2.95	-60.22
CC1(CNC(=O)C2CC3COCC[N@H+]3C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029210788	1	53	0.0	-68.80	398.82	2.84	-65.96
C[N@@H+]1CCCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029210948	0	46	0.0	-68.01	351.40	2.82	-65.19
C[N@H+]1CCCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029210948	1	46	0.0	-67.96	349.82	2.35	-65.61
C[N@@H+]1CCOC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029210972	1	47	0.0	-77.64	367.12	2.27	-75.37
C[N@H+]1CCOC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029210972	1	47	0.0	-79.33	363.48	2.07	-77.26
CC(C)C1=[NH+]C=CN1CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029211162	1	53	0.0	-69.32	419.11	4.81	-64.51
CC(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+]1CCCCCC1	REAL300029211169	0	55	0.0	-72.09	403.37	4.20	-67.89
CC(C)[N@@H+]1CCCCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029211172	0	55	0.0	-70.48	400.12	4.37	-66.11
CC(C)[N@H+]1CCCCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029211172	1	55	0.0	-64.32	396.63	4.39	-59.93
CC(C)[N@@H+]1CCCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029211207	0	52	0.0	-67.18	382.64	4.25	-62.93
CC(C)[N@H+]1CCCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029211207	1	52	0.0	-71.19	391.91	3.93	-67.26
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CC2CCCC[N@@H+]2C1	REAL300029211234	0	53	0.0	-79.12	400.54	4.48	-74.64
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CC2CCCC[N@H+]2C1	REAL300029211234	1	53	0.0	-70.18	397.23	4.54	-65.64
CC(C)C1=[NH+]C=CN1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029211270	1	50	0.0	-71.29	399.05	4.52	-66.77
CC1=[NH+]C=CN1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029211326	1	44	0.0	-72.46	362.73	3.40	-69.06
CC(C[NH+]1CCOCC1)C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029211328	0	53	0.0	-71.54	404.25	2.53	-69.01
O=C(CCC[NH+]1CCCCC1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029211350	0	55	0.0	-70.26	415.27	5.05	-65.21
CC(C)(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+]1CCCCC1	REAL300029211379	0	55	0.0	-63.65	399.20	5.12	-58.53
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1C[NH+]2CCC1CC2	REAL300029211398	0	50	0.0	-73.96	371.15	3.64	-70.32
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CCCC2CCC[N@@H+]21	REAL300029211461	0	53	0.0	-71.31	390.22	4.25	-67.06
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CCCC2CCC[N@H+]21	REAL300029211461	1	53	0.0	-71.64	389.46	4.30	-67.34
C[NH+](C)CCN1C=C(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C=N1	REAL300029211463	0	52	0.0	-76.22	416.19	3.75	-72.47
C[NH+](C)CCN1C=CC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)=N1	REAL300029211479	0	52	0.0	-84.31	418.26	3.20	-81.11
C[C@@H]1[C@H](C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC[N@@H+]1C	REAL300029211486	0	49	0.0	-79.87	369.61	2.79	-77.08
C[C@@H]1[C@H](C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC[N@H+]1C	REAL300029211486	1	49	0.0	-77.28	376.67	2.97	-74.31
CCC1=[NH+]C=CN1C(C)CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029211489	1	53	0.0	-69.34	419.65	4.87	-64.47
CC[C@@H]1[C@@H](C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC[N@@H+]1C	REAL300029211492	0	52	0.0	-76.73	390.06	3.47	-73.26
CC[C@@H]1[C@@H](C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC[N@H+]1C	REAL300029211492	1	52	0.0	-75.17	394.12	4.02	-71.15
CC[N@@H+]1CCOC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029211518	1	50	0.0	-83.90	388.81	2.77	-81.13
CC[N@H+]1CCOC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029211518	1	50	0.0	-74.28	384.92	2.93	-71.35
CC[NH+](CC)CC(F)C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029211587	0	51	0.0	-70.10	386.90	3.43	-66.67
C[NH+](C)CC1=C(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)SC=C1	REAL300029211588	0	49	0.0	-65.40	398.92	4.37	-61.03
CC1CCC(C)[NH+]1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029211704	0	52	0.0	-65.32	386.86	3.70	-61.62
O=C(CCC[NH+]1CCCC1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029211711	0	52	0.0	-70.09	399.60	4.35	-65.74
C[NH+](C)CC1=CC=CC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)=C1	REAL300029211712	0	52	0.0	-77.66	411.23	5.30	-72.36
C#CC[NH+]1CCC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029211719	0	51	0.0	-79.26	402.84	4.49	-74.77
O=C(CC[NH+]1CCCCC1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029211720	0	52	0.0	-75.73	397.70	4.09	-71.64
C[NH+](C)CC1=CC=CC=C1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029211724	0	52	0.0	-64.69	400.54	5.59	-59.10
CC[N@@H+]1CCCCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029211734	0	52	0.0	-64.65	389.77	4.07	-60.58
CC[N@H+]1CCCCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029211734	1	52	0.0	-70.71	393.22	3.93	-66.78
CC(C)C(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+]1CCCCC1	REAL300029211735	0	58	0.0	-63.35	422.29	6.15	-57.20
C[NH+](C)C(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC=CC=C1	REAL300029211738	1	52	0.0	-67.25	405.18	5.66	-61.59
CC(C)C[N@@H+]1CCC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029211764	0	55	0.0	-69.11	414.20	4.82	-64.29
CC(C)C[N@H+]1CCC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029211764	1	55	0.0	-76.50	418.10	4.72	-71.78
C[NH+](C)C1(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CCC1	REAL300029211768	0	49	0.0	-71.11	366.81	3.44	-67.67
C[NH+](C)C(CN1C=CC=N1)C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029211770	1	52	0.0	-71.42	406.68	2.91	-68.51
CC(C)[N@@H+]1CCCC1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029211776	0	55	0.0	-72.95	411.75	4.30	-68.65
CC(C)[N@H+]1CCCC1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029211776	1	55	0.0	-63.00	400.48	3.94	-59.06
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CCC[N@@H+]1C1CCCC1	REAL300029211777	0	56	0.0	-66.01	407.04	5.54	-60.47
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CCC[N@H+]1C1CCCC1	REAL300029211777	1	56	0.0	-65.00	413.06	5.22	-59.78
CC(C)[C@@H](C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+](C)C	REAL300029211804	0	51	0.0	-73.08	382.87	3.88	-69.20
C[N@H+](CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CCC1	REAL300029211870	0	49	0.0	-73.94	379.43	3.77	-70.17
C[N@@H+](CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CCC1	REAL300029211870	1	49	0.0	-73.45	379.93	3.66	-69.79
CC(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+]1C(C)CCC1C	REAL300029211965	0	55	0.0	-65.01	392.23	3.61	-61.40
CN(CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC=[NH+]C=C1	REAL300029212047	0	51	0.0	-67.75	404.24	3.46	-64.29
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029212060	1	48	0.0	-67.26	376.36	3.60	-63.66
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029212060	1	48	0.0	-67.24	381.10	4.10	-63.14
C[N@@H+]1CCCC1CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029212070	0	52	0.0	-77.49	400.82	4.18	-73.31
C[N@H+]1CCCC1CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029212070	1	52	0.0	-73.66	395.46	3.71	-69.95
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C12CCC[NH+](CCC1)C2	REAL300029212084	0	53	0.0	-70.48	387.41	4.03	-66.45
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CCC2CCCC[N@@H+]21	REAL300029212092	0	53	0.0	-64.24	392.16	4.70	-59.54
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CCC2CCCC[N@H+]21	REAL300029212092	1	53	0.0	-61.92	399.35	5.24	-56.68
CC(C)(C[NH+]1CCOCC1)C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029212101	0	56	0.0	-67.59	410.58	2.89	-64.70
O=C(CCCC[NH+]1CCCC1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029212121	0	55	0.0	-70.40	421.10	5.13	-65.27
C[N@H+](CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)CC1=CC=CC=C1	REAL300029212124	1	52	0.0	-71.51	408.53	5.84	-65.67
C[N@@H+](CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)CC1=CC=CC=C1	REAL300029212124	1	52	0.0	-80.10	410.40	5.26	-74.84
C[NH+]1CCC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029212142	0	49	0.0	-78.68	378.24	3.34	-75.34
C[NH+](C)CC1=CC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)=NO1	REAL300029212209	1	48	0.0	-81.17	391.23	2.79	-78.38
CC1=C(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C=CC2=C[NH+]=CN21	REAL300029212211	0	47	0.0	-71.53	382.25	5.53	-66.00
C[N@@H+]1CCCCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029212260	0	49	0.0	-72.48	375.27	3.38	-69.10
C[N@H+]1CCCCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029212260	1	49	0.0	-72.94	375.15	3.37	-69.57
CC(C)C[N@@H+]1CCCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029212294	0	55	0.0	-66.33	408.66	4.48	-61.85
CC(C)C[N@H+]1CCCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029212294	1	55	0.0	-66.64	398.86	4.88	-61.76
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CN2C=[NH+]C=C2C=C1	REAL300029212460	0	44	0.0	-75.00	363.71	5.18	-69.82
CC1=[NH+]C=CN1CCCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029212475	1	50	0.0	-71.99	404.51	4.57	-67.42
O=C(CCCC[NH+]1CCOCC1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029212479	1	56	0.0	-73.74	428.04	3.40	-70.34
C[NH+](C)CC1=CC=C(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C=C1	REAL300029212485	0	52	0.0	-82.02	411.83	5.15	-76.87
O=C(CC[NH+]1CCOCC1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029212486	1	50	0.0	-73.30	385.03	1.82	-71.48
C[NH+](C)C(C)(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC=CC=C1	REAL300029212506	0	55	0.0	-81.54	409.32	5.27	-76.27
CCC[NH+](CCC)CCCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029212514	0	60	0.0	-70.46	452.33	6.02	-64.44
CC[N@H+](C)C(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC=CC=C1	REAL300029212515	0	55	0.0	-72.14	426.73	5.91	-66.23
CC[N@@H+](C)C(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC=CC=C1	REAL300029212515	1	55	0.0	-71.82	426.10	5.81	-66.01
CC1=C[NH+]=CN1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029212538	1	44	0.0	-74.40	362.29	3.99	-70.41
O=C(CN1C=[NH+]C2=C1CCCC2)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029212551	1	51	0.0	-74.79	404.92	5.86	-68.93
C[NH+](C)CC1(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CCCCC1	REAL300029212599	0	58	0.0	-78.97	415.24	5.36	-73.61
C[NH+](C)CCC1=CC=CC=C1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029212600	0	55	0.0	-66.88	419.58	6.04	-60.84
C[N@H+](CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CCCCC1	REAL300029212606	0	58	0.0	-77.20	432.12	5.27	-71.93
C[N@@H+](CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CCCCC1	REAL300029212606	1	58	0.0	-77.24	432.11	5.26	-71.98
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C12CCC[NH+]1CCC2	REAL300029212611	0	50	0.0	-75.04	375.61	3.61	-71.43
C[NH+](C)C1CCCC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029212651	0	55	0.0	-69.10	405.94	4.36	-64.74
C[N@@H+]1CCC(CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029212658	0	49	0.0	-70.18	378.87	3.88	-66.30
C[N@H+]1CCC(CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029212658	1	49	0.0	-71.39	376.06	3.43	-67.96
CN(C)C1=CC=[NH+]C=C1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029212672	0	48	0.0	-82.19	384.72	2.50	-79.69
CCC(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+](C)C	REAL300029212678	0	48	0.0	-73.65	367.22	2.83	-70.82
C[NH+](C)C1(CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CCCC1	REAL300029212702	0	55	0.0	-78.81	397.16	4.21	-74.60
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC2=C[NH+]=CN2C=C1	REAL300029212774	1	44	0.0	-79.23	363.98	5.19	-74.04
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300029212819	1	47	0.0	-82.93	393.28	3.13	-79.80
C[NH+](C)CCCCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029212854	0	51	0.0	-71.79	395.13	3.94	-67.85
CC(C)C(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+](C)C	REAL300029212876	0	51	0.0	-67.92	374.10	3.33	-64.59
CCC[N@H+](C)CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029212878	0	51	0.0	-77.07	395.29	3.62	-73.45
CCC[N@@H+](C)CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029212878	1	51	0.0	-77.07	395.29	3.62	-73.45
CCC[N@H+](C)CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029212885	0	48	0.0	-76.49	372.53	3.20	-73.29
CCC[N@@H+](C)CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029212885	1	48	0.0	-75.48	372.92	3.08	-72.40
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C12CC[N@H+](C1)CCC2	REAL300029212916	0	50	0.0	-70.55	371.59	3.07	-67.48
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C12CC[N@@H+](C1)CCC2	REAL300029212916	1	50	0.0	-70.20	371.50	3.04	-67.16
C[N@@H+]1CCC[C@@H]1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029212985	0	46	0.0	-68.10	351.55	2.79	-65.31
C[N@H+]1CCC[C@@H]1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029212985	1	46	0.0	-71.89	360.10	2.78	-69.11
CC1CC2CCC(C(=O)NC3CC4CN(C(=O)C5=CC(=O)[N-]O5)CC43)C[N@@H+]2C1	REAL300029213013	0	56	0.0	-67.04	417.74	5.18	-61.86
CC1CC2CCC(C(=O)NC3CC4CN(C(=O)C5=CC(=O)[N-]O5)CC43)C[N@H+]2C1	REAL300029213013	1	56	0.0	-66.01	419.65	5.61	-60.40
CCCCCC[N@H+](C)CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029213070	0	57	0.0	-77.72	437.02	5.54	-72.18
CCCCCC[N@@H+](C)CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029213070	1	57	0.0	-69.22	434.22	5.93	-63.29
CC[NH+](CC)C(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C(C)C	REAL300029213081	0	57	0.0	-72.49	413.85	4.76	-67.73
CC[NH+](CC)CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029213092	0	48	0.0	-67.91	361.36	2.89	-65.02
CCC[N@@H+]1CCCC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029213126	0	55	0.0	-68.75	413.47	4.85	-63.90
CCC[N@H+]1CCCC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029213126	1	55	0.0	-74.06	417.16	4.70	-69.36
CC(C)[N@@H+]1CCOC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029213150	1	53	0.0	-72.56	401.60	3.43	-69.13
CC(C)[N@H+]1CCOC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029213150	1	53	0.0	-65.46	394.98	3.61	-61.85
CC1CC[NH+](CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029213192	0	52	0.0	-75.93	396.28	4.15	-71.78
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300029213224	1	47	0.0	-77.42	389.07	3.25	-74.17
C[NH+]1CCC(OCC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029213234	0	53	0.0	-80.13	413.53	3.76	-76.37
C[NH+](C)CC1(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029213253	0	49	0.0	-78.85	383.06	3.74	-75.11
CC1=[NH+]C=C2CCC(C(=O)NC3CC4CN(C(=O)C5=CC(=O)[N-]O5)CC43)CN21	REAL300029213254	1	51	0.0	-69.15	401.34	4.41	-64.74
CC(C)[NH+]1CCC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029213361	0	55	0.0	-77.04	408.56	4.41	-72.63
C[NH+]1CCC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029213392	0	49	0.0	-78.68	378.24	3.34	-75.34
CC(C)[C@H](C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+](C)C	REAL300029213415	0	51	0.0	-66.09	380.97	4.20	-61.89
CCC(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+](CC)CC	REAL300029213454	0	54	0.0	-63.66	395.90	4.11	-59.55
CC[N@H+](C)CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029213553	0	48	0.0	-76.28	373.79	2.88	-73.40
CC[N@@H+](C)CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029213553	1	48	0.0	-76.30	373.79	2.88	-73.42
CC1CCC[N@@H+]1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029213635	0	49	0.0	-72.65	378.78	3.47	-69.18
CC1CCC[N@H+]1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029213635	1	49	0.0	-66.36	368.49	3.22	-63.14
CC1CC[N@H+](CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029213638	0	49	0.0	-66.86	377.91	3.94	-62.92
CC1CC[N@@H+](CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029213638	1	49	0.0	-68.74	375.01	3.51	-65.23
CC(C)(C)[N@@H+]1CCC(F)(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029213639	0	55	0.0	-65.48	411.82	4.11	-61.37
CC(C)(C)[N@H+]1CCC(F)(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029213639	1	55	0.0	-65.24	411.66	4.15	-61.09
CC1=[NH+]C=C2CC(C(=O)NC3CC4CN(C(=O)C5=CC(=O)[N-]O5)CC43)CCN21	REAL300029213641	1	51	0.0	-65.62	399.16	4.56	-61.06
C[NH+](C)CCC1=CC=C(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C=C1	REAL300029213643	0	55	0.0	-84.16	433.94	6.11	-78.05
CC1(C)CC[N@H+](CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029213645	0	52	0.0	-68.83	394.99	4.06	-64.77
CC1(C)CC[N@@H+](CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029213645	1	52	0.0	-66.91	396.93	4.56	-62.35
C[N@H+](CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)CC(C)(C)C	REAL300029213646	0	54	0.0	-75.54	401.53	4.07	-71.47
C[N@@H+](CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)CC(C)(C)C	REAL300029213646	1	54	0.0	-67.40	401.94	4.79	-62.61
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029213647	0	55	0.0	-80.49	432.44	6.22	-74.27
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029213647	1	55	0.0	-72.36	429.63	6.60	-65.76
CC[C@@H](C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+](C)C	REAL300029213659	0	48	0.0	-67.02	360.92	3.54	-63.48
CC(COCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+]1CCCC1	REAL300029213667	0	56	0.0	-67.75	428.35	4.56	-63.19
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CC[NH+](CC2CC2)CC1	REAL300029213769	0	56	0.0	-70.24	424.25	6.05	-64.19
C[NH+]1CCC(O)(CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029213926	0	53	0.0	-75.85	404.13	1.98	-73.87
COCC[N@@H+]1CCCC1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029213933	0	56	0.0	-68.84	425.21	3.49	-65.35
COCC[N@H+]1CCCC1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029213933	1	56	0.0	-73.94	431.37	3.27	-70.67
C[NH+](C)CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029213941	0	42	0.0	-75.67	333.58	1.68	-73.99
O=C(C[NH+]1CCC(CO)CC1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029213946	1	53	0.0	-77.14	407.11	0.84	-76.30
O=C(C[NH+]1CCCCCC1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029213950	0	52	0.0	-67.18	381.47	4.23	-62.95
CN1C=C[N+](CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)=C1	REAL300029213955	0	44	0.0	-65.76	361.74	5.67	-60.09
C[N@@H+]1CCCC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029213966	0	49	0.0	-68.83	374.87	3.83	-65.00
C[N@H+]1CCCC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029213966	1	49	0.0	-64.78	368.00	3.65	-61.13
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CCC[N@@H+]1C1CC1	REAL300029213972	0	50	0.0	-63.33	389.06	4.75	-58.58
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CCC[N@H+]1C1CC1	REAL300029213972	1	50	0.0	-69.32	386.29	4.00	-65.32
CC(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+]1CCC1	REAL300029214012	1	46	0.0	-66.92	357.97	2.90	-64.02
CCC(CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C[NH+](C)C	REAL300029214022	0	54	0.0	-66.61	405.01	4.42	-62.19
C[NH+](C)CC(C)(C)C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214031	0	51	0.0	-69.76	376.97	3.48	-66.28
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C12CC(C1)C[N@@H+]2C1CC1	REAL300029214055	0	51	0.0	-73.01	388.78	4.26	-68.75
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C12CC(C1)C[N@H+]2C1CC1	REAL300029214055	1	51	0.0	-66.25	393.67	4.44	-61.81
O=C(C[NH+]1CCC(O)CC1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214079	1	50	0.0	-80.15	386.52	0.19	-79.96
C[N@H+](CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CC1	REAL300029214081	0	46	0.0	-72.42	362.96	3.07	-69.35
C[N@@H+](CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CC1	REAL300029214081	1	46	0.0	-72.95	362.99	3.08	-69.87
CC(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)N1CC[NH+](C)CC1	REAL300029214082	1	54	0.0	-73.76	406.78	1.52	-72.24
C[NH+]1CC(CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029214112	0	46	0.0	-70.92	361.21	2.63	-68.29
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CC[N@@H+]1C1CCCC1	REAL300029214116	0	53	0.0	-68.71	401.64	4.78	-63.93
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CC[N@H+]1C1CCCC1	REAL300029214116	1	53	0.0	-75.04	404.14	4.47	-70.57
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214125	0	52	0.0	-65.98	392.01	3.58	-62.40
CC(C)(C)[N@H+]1CCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214125	1	52	0.0	-73.49	378.48	2.96	-70.53
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300029214136	0	52	0.0	-72.24	410.41	2.24	-70.00
C[C@@H](C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+](C)C	REAL300029214139	0	45	0.0	-68.40	348.04	2.21	-66.19
CCC1CCC[N@H+](CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029214193	0	55	0.0	-76.63	414.11	4.92	-71.71
CCC1CCC[N@@H+](CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029214193	1	55	0.0	-76.82	407.11	4.88	-71.94
C[NH+](C)CC1=CC=C(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)N1	REAL300029214202	0	50	0.0	-86.75	400.18	2.96	-83.79
C[NH+]1C2CCC1CC(CC(=O)NC1CC3CN(C(=O)C4=CC(=O)[N-]O4)CC31)C2	REAL300029214217	0	56	0.0	-69.00	395.46	4.26	-64.74
C[NH+](C)C(CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC=CC=C1	REAL300029214224	0	55	0.0	-73.29	419.70	5.81	-67.48
[NH2+]=C1SC=CN1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214266	0	42	0.0	-71.39	360.77	1.85	-69.54
C[N@H+](CCO)CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214280	0	49	0.0	-76.08	384.15	-0.33	-76.41
C[N@@H+](CCO)CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214280	1	49	0.0	-75.66	384.13	-0.36	-76.02
C[C@@H](C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+](C)C	REAL300029214281	0	45	0.0	-68.40	348.04	2.21	-66.19
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214286	0	49	0.0	-72.55	366.26	3.11	-69.44
C[N@H+]1CCCC[C@@H]1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214286	1	49	0.0	-71.75	375.50	3.28	-68.47
CC1CN2CC[N@@H+]1CC2C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214296	0	52	0.0	-79.48	386.18	0.66	-78.82
CC1CN2CC[N@H+]1CC2C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214296	1	52	0.0	-71.13	381.12	0.72	-70.41
COC1C[N@@H+]2CCCC2(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029214349	0	54	0.0	-78.49	412.73	2.67	-75.82
COC1C[N@H+]2CCCC2(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029214349	1	54	0.0	-67.78	407.61	2.76	-65.02
O=C(CC1=CC2=C[NH+]=CN2C=C1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214365	0	47	0.0	-68.99	384.92	6.37	-62.62
C[N@H+](CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CCSC1	REAL300029214399	0	50	0.0	-81.10	393.04	3.91	-77.19
C[N@@H+](CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CCSC1	REAL300029214399	1	50	0.0	-73.61	389.83	4.39	-69.22
O=C(C[NH+]1CCC1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214400	1	43	0.0	-76.59	343.59	2.26	-74.33
C[NH+](C)CC1=CC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)=CC=N1	REAL300029214439	1	51	0.0	-74.85	407.31	3.47	-71.38
C[N@@H+]1CCC(=CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029214441	0	47	0.0	-71.42	370.35	3.83	-67.59
C[N@H+]1CCC(=CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029214441	1	47	0.0	-77.52	371.54	3.25	-74.27
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1C[NH+](C2CCCCC2)C1	REAL300029214469	0	56	0.0	-78.33	425.74	5.01	-73.32
C[NH+](C)CCOCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214488	0	49	0.0	-69.67	385.64	2.86	-66.81
CCCCC[N@H+](C)CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214495	0	57	0.0	-70.66	435.10	5.70	-64.96
CCCCC[N@@H+](C)CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214495	1	57	0.0	-77.95	438.29	5.18	-72.77
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)O1	REAL300029214505	0	53	0.0	-70.41	408.45	3.79	-66.62
C=CCC(C)(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+](C)C	REAL300029214517	0	52	0.0	-68.35	389.06	3.69	-64.66
C[S+](C)CCC(O)C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214522	0	48	0.0	-70.14	394.61	1.45	-68.69
C[N@@H+]1CC(O)CC1(C)C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214560	0	50	0.0	-83.63	380.59	0.11	-83.52
CN1CC[N@H+](C)CC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029214575	0	54	0.0	-67.38	401.53	2.48	-64.90
CN1CC[N@@H+](C)CC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029214575	1	54	0.0	-67.38	401.53	2.48	-64.90
CC(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[N@@H+]1CCCC(O)C1	REAL300029214576	0	53	0.0	-74.38	404.33	0.59	-73.79
O=C(CN1CCC(CO)CC1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214592	0	53	0.0	-77.14	407.11	0.84	-76.30
O=C(C[NH+]1CCC(CO)CC1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214592	1	53	0.0	-77.14	407.11	0.84	-76.30
C[N@@H+]1CCCC(O)(CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029214603	0	53	0.0	-68.18	389.22	2.57	-65.61
C[N@H+]1CCCC(O)(CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029214603	1	53	0.0	-68.18	389.22	2.57	-65.61
CC1CN(CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029214607	0	46	0.0	-69.58	361.20	2.91	-66.67
CC1C[NH+](CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029214607	1	46	0.0	-69.58	361.20	2.91	-66.67
CN(CCO)CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214638	0	46	0.0	-68.75	358.58	-0.40	-69.15
C[N@H+](CCO)CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214638	1	46	0.0	-75.67	361.54	-0.88	-76.55
C[N@@H+](CCO)CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214638	1	46	0.0	-75.67	361.54	-0.88	-76.55
C[NH+]1C2CCC1CC(=CC(=O)NC1CC3CN(C(=O)C4=CC(=O)[N-]O4)CC31)C2	REAL300029214664	0	54	0.0	-73.13	406.78	4.61	-68.52
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1C[N@@H+]2CCN1CCC2	REAL300029214669	0	52	0.0	-71.53	377.08	1.99	-69.54
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1C[N@H+]2CCN1CCC2	REAL300029214669	1	52	0.0	-71.53	377.08	1.99	-69.54
CC[N@@H+]1CCCC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029214678	0	52	0.0	-73.35	395.72	3.95	-69.40
CC[N@H+]1CCCC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029214678	1	52	0.0	-73.35	395.72	3.95	-69.40
CC(CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C[NH+](C)C	REAL300029214680	0	51	0.0	-72.33	386.91	3.79	-68.54
CC[N@H+](C)CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214697	0	45	0.0	-67.69	348.23	2.84	-64.85
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C12CCC[N@@H+]1CCCC2	REAL300029214728	0	53	0.0	-68.95	387.72	4.26	-64.69
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C12CCC[N@H+]1CCCC2	REAL300029214728	1	53	0.0	-68.95	387.72	4.26	-64.69
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C12CCC[N@@H+]1CC=CC2	REAL300029214738	0	51	0.0	-68.97	381.01	4.00	-64.97
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C12CCC[N@H+]1CC=CC2	REAL300029214738	1	51	0.0	-68.97	381.01	4.00	-64.97
CC[N@H+](CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CC1	REAL300029214767	0	49	0.0	-66.76	375.82	3.83	-62.93
CC[NH+](CC)CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214792	0	51	0.0	-69.66	387.72	3.74	-65.92
CC1(C)CN(CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029214826	0	49	0.0	-67.71	380.94	3.74	-63.97
CC1(C)C[NH+](CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029214826	1	49	0.0	-67.71	380.94	3.74	-63.97
O=C(CCCC[NH+]1CCCCC1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214832	0	58	0.0	-75.24	440.13	5.66	-69.58
CC1(O)CC[N@H+](CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029214867	0	50	0.0	-67.31	387.62	0.71	-66.60
CC1(O)CC[N@@H+](CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029214867	1	50	0.0	-69.55	386.21	0.24	-69.31
C[NH+](C)CC=CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214880	0	46	0.0	-78.42	370.77	2.93	-75.49
CC(OCC[NH+](C)C)C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214910	0	52	0.0	-70.00	404.63	3.60	-66.40
C[NH+](C)CCOCCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214922	0	52	0.0	-69.91	406.59	2.61	-67.30
COCC[N@H+](C)CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214923	1	49	0.0	-76.39	383.42	1.61	-74.78
COCC[N@@H+](C)CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214923	1	49	0.0	-68.78	380.83	2.00	-66.78
COCCCC[N@H+](C)CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214956	0	58	0.0	-73.38	447.27	3.97	-69.41
COCCCC[N@@H+](C)CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214956	1	58	0.0	-80.91	450.46	3.47	-77.44
C[NH+](C)C1(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CCCC1	REAL300029214982	0	52	0.0	-64.30	379.43	4.63	-59.67
CC(CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+](C)C	REAL300029214985	0	51	0.0	-71.10	383.12	3.55	-67.55
CC[N@@H+]1CCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214996	1	46	0.0	-74.08	365.07	2.71	-71.37
CC[N@H+]1CCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214996	1	46	0.0	-74.05	357.89	2.44	-71.61
CC(C)[N@@H+]1CCCC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029215011	0	55	0.0	-61.54	404.16	5.29	-56.25
CC(C)[N@H+]1CCCC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029215011	1	55	0.0	-67.46	406.16	4.68	-62.78
CC(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[N@H+](C)CC1=CC=CC=C1	REAL300029215018	0	55	0.0	-78.17	428.21	5.77	-72.40
CC(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[N@@H+](C)CC1=CC=CC=C1	REAL300029215018	1	55	0.0	-75.65	428.33	5.67	-69.98
O=C(C[N@H+]1CCCC1CO)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029215027	0	50	0.0	-75.26	387.97	0.36	-74.90
O=C(C[N@@H+]1CCCC1CO)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029215027	1	50	0.0	-71.69	379.62	0.26	-71.43
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CC2CCCC[N@@H+]2C1	REAL300029215057	0	53	0.0	-79.12	400.54	4.48	-74.64
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CC2CCCC[N@H+]2C1	REAL300029215057	1	53	0.0	-70.18	397.23	4.54	-65.64
C[NH+]1CCC(C)(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029215067	0	52	0.0	-69.86	387.24	3.92	-65.94
C[NH+](C)CC1=CNC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)=C1	REAL300029215073	0	50	0.0	-78.34	400.08	2.93	-75.41
CC(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+]1CCC(O)CC1	REAL300029215095	0	53	0.0	-74.91	396.91	0.51	-74.40
C=CCC(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+](C)C	REAL300029215113	0	49	0.0	-67.46	376.39	3.48	-63.98
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029215133	0	52	0.0	-64.11	397.35	4.45	-59.66
C[N@H+]1CC(C)(C)CC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029215133	1	52	0.0	-67.16	390.23	3.44	-63.72
C[NH+](C)CCCCCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029215138	0	54	0.0	-71.45	416.63	4.73	-66.72
O=C(C[NH+]1CC2CC2C1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029215149	0	47	0.0	-75.57	369.17	3.57	-72.00
CC1C[N@@H+]2CCN1C(C(=O)NC1CC3CN(C(=O)C4=CC(=O)[N-]O4)CC31)C2	REAL300029215190	0	52	0.0	-80.88	386.82	0.66	-80.22
CC1C[N@H+]2CCN1C(C(=O)NC1CC3CN(C(=O)C4=CC(=O)[N-]O4)CC31)C2	REAL300029215190	1	52	0.0	-69.89	383.45	1.22	-68.67
CCCC(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+](C)C	REAL300029215191	0	51	0.0	-68.09	383.89	3.72	-64.37
C[NH+](C)C(C)(C)C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029215196	0	48	0.0	-69.39	356.95	2.99	-66.40
CC[NH+](CC)CCSCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029215239	0	55	0.0	-72.45	427.91	4.83	-67.62
C[N@@H+]1CCCCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029215251	0	49	0.0	-72.48	375.27	3.38	-69.10
C[N@H+]1CCCCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029215251	1	49	0.0	-72.94	375.15	3.37	-69.57
C[N@H+]1CC=C(CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029215307	0	50	0.0	-70.03	388.87	4.17	-65.86
C[N@@H+]1CC=C(CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029215307	1	50	0.0	-68.89	389.16	4.16	-64.73
O=C(CC1([NH+]2CCCC2)CC1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029215319	0	53	0.0	-64.86	395.65	4.91	-59.95
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029215378	0	58	0.0	-77.63	415.38	4.48	-73.15
C[N@H+]1CCCC(C(C)(C)C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029215378	1	58	0.0	-77.63	415.38	4.48	-73.15
CN(C)CC1=CC=C(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)O1	REAL300029215383	0	49	0.0	-73.08	394.22	3.62	-69.46
C[NH+](C)CC1=CC=C(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)O1	REAL300029215383	1	49	0.0	-73.08	394.22	3.62	-69.46
O=C(C=CC[NH+]1CCCC1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029215407	0	50	0.0	-72.26	392.07	4.24	-68.02
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CC[NH+](C2CC2)CC1	REAL300029215436	0	53	0.0	-67.04	401.31	5.12	-61.92
O=C(CC[NH+]1CCCC1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029215465	0	49	0.0	-68.54	378.85	3.91	-64.63
C[N@@H+]1CC2CC1(C(=O)NC1CC3CN(C(=O)C4=CC(=O)[N-]O4)CC31)C2	REAL300029215531	0	47	0.0	-68.01	362.69	2.90	-65.11
O=C(C[N@@H+]1CC2CCC1C2)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029215547	0	50	0.0	-73.29	379.95	3.78	-69.51
O=C(C[N@H+]1CC2CCC1C2)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029215547	1	50	0.0	-73.29	379.95	3.78	-69.51
CC(C)[NH+]1CCC(CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029215561	0	58	0.0	-71.61	427.53	4.99	-66.62
O=C(C=C1C[NH+]2CCC1CC2)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029215613	0	51	0.0	-67.15	388.36	4.66	-62.49
O=C(CN1CC2C=CC1C2)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029215627	0	48	0.0	-66.16	368.75	3.68	-62.48
O=C(C[N@@H+]1CC2C=CC1C2)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029215627	1	48	0.0	-65.60	370.80	4.27	-61.33
O=C(C[N@H+]1CC2C=CC1C2)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029215627	1	48	0.0	-65.60	370.80	4.27	-61.33
C[NH+](C)CC(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC=CC=C1	REAL300029215668	0	55	0.0	-70.62	426.60	6.24	-64.38
CC(C[NH+](C)C)C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029215697	0	48	0.0	-75.65	372.05	2.96	-72.69
C[N@@H+]1CCCCC1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029215802	0	52	0.0	-63.78	383.24	4.38	-59.40
C[N@H+]1CCCCC1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029215802	1	52	0.0	-63.78	383.24	4.38	-59.40
CC1=C2C=C(C(=O)NC3CC4CN(C(=O)C5=CC(=O)[N-]O5)CC43)C=CN2C=N1	REAL300029215825	0	47	0.0	-77.33	385.89	5.75	-71.58
CC1=C2C=C(C(=O)NC3CC4CN(C(=O)C5=CC(=O)[N-]O5)CC43)C=CN2C=[NH+]1	REAL300029215825	1	47	0.0	-77.33	385.89	5.75	-71.58
CC(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)N1CC(C)C1	REAL300029215826	0	49	0.0	-72.74	381.55	3.43	-69.31
CC(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+]1CC(C)C1	REAL300029215826	1	49	0.0	-72.74	381.55	3.43	-69.31
CC1CCN1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029215830	0	46	0.0	-72.94	359.24	2.50	-70.44
CC1CC[N@@H+]1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029215830	1	46	0.0	-72.95	359.23	2.49	-70.46
CC1CC[N@H+]1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029215830	1	46	0.0	-72.95	359.23	2.49	-70.46
C[NH+](C)CC(O)CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029215835	0	49	0.0	-73.95	382.37	0.84	-73.11
CC1C[N@H+](C)CC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)O1	REAL300029215874	1	50	0.0	-86.87	384.99	2.45	-84.42
CC1C[N@@H+](C)CC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)O1	REAL300029215874	1	50	0.0	-73.54	381.21	2.84	-70.70
O=C(CC[NH+]1CCC(O)CC1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029215887	0	53	0.0	-79.25	408.69	0.76	-78.49
CCC[N@@H+]1CCCCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029215890	0	55	0.0	-66.63	401.62	4.65	-61.98
CCC[N@H+]1CCCCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029215890	1	55	0.0	-64.72	412.76	5.31	-59.41
CC[NH+]1CCN(CCC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029215895	0	57	0.0	-76.26	431.94	2.45	-73.81
CCN1CC[NH+](CCC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029215895	1	57	0.0	-71.48	428.38	2.47	-69.01
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300029215898	0	56	0.0	-69.12	400.25	4.59	-64.53
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300029215898	1	56	0.0	-63.49	406.19	5.78	-57.71
CC(C)C[NH+]1CCC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029215948	0	58	0.0	-79.25	434.53	5.56	-73.69
C[NH+](C)C1CCN(CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029215976	0	57	0.0	-73.85	426.92	2.38	-71.47
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029215999	0	49	0.0	-74.83	383.06	3.41	-71.42
CC(CC[NH+](C)C)C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029216007	0	51	0.0	-75.28	393.62	3.59	-71.69
C[N@H+](CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[C@@H]1CCC[C@H]1O	REAL300029216041	0	53	0.0	-73.58	404.05	1.03	-72.55
C[N@@H+](CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[C@@H]1CCC[C@H]1O	REAL300029216041	1	53	0.0	-67.88	400.92	1.22	-66.66
C#CC[N@H+]1CCCCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029216051	1	51	0.0	-73.27	391.20	4.40	-68.87
C#CC[N@@H+]1CCCCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029216051	1	51	0.0	-66.46	387.53	4.46	-62.00
C[NH+](C)C(CC1=CC=CC=C1)C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029216056	0	55	0.0	-71.46	417.56	5.74	-65.72
C[NH+]1CCN(CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029216058	1	51	0.0	-74.28	392.60	1.17	-73.11
CC[NH+]1CCN(CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029216070	0	54	0.0	-73.09	410.34	1.85	-71.24
NC(=[NH2+])SCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029216104	0	40	0.0	-70.45	337.69	-1.24	-71.69
CC[N@@H+]1CCOCC1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029216152	0	53	0.0	-71.40	393.16	2.17	-69.23
C[NH+](C)CCC1(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CCCC1	REAL300029216171	0	58	0.0	-68.90	429.14	5.55	-63.35
CC1CCCC(C)[NH+]1CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029216173	0	58	0.0	-66.48	423.78	4.93	-61.55
C[NH+](C)C1CCC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029216176	0	55	0.0	-79.67	412.15	4.63	-75.04
C[NH+](C)CCC1(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029216177	0	52	0.0	-75.36	409.64	4.24	-71.12
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029216181	0	55	0.0	-70.44	405.67	4.52	-65.92
C[N@@H+]1CC=CCC1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029216182	0	50	0.0	-78.06	384.70	3.74	-74.32
C[N@H+]1CC=CCC1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029216182	1	50	0.0	-78.06	384.70	3.74	-74.32
C[C@@H](OCC[NH+](C)C)C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029216214	0	52	0.0	-69.20	405.42	3.57	-65.63
C[NH+]1C2CCC1CC(C(=O)NC1CC3CN(C(=O)C4=CC(=O)[N-]O4)CC31)C2	REAL300029216249	0	53	0.0	-66.98	372.65	4.31	-62.67
CC(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+]1CCSCC1	REAL300029216412	1	50	0.0	-76.23	389.07	3.51	-72.72
CCC1C[NH+](CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029216415	1	49	0.0	-76.21	386.36	3.52	-72.69
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1C[NH+](C2CCOCC2)C1	REAL300029216417	0	54	0.0	-80.74	416.93	2.62	-78.12
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1([NH+]2CCCC2)CCC1	REAL300029216419	0	53	0.0	-62.95	393.90	4.99	-57.96
C[N@H+]1CCC[C@H]1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029216430	1	46	0.0	-65.29	351.59	2.84	-62.45
O=C(CC[N@@H+]1CCC(F)C1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029216440	1	49	0.0	-74.00	383.95	3.65	-70.35
COC1C[N@@H+](C)C(C)(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029216449	1	53	0.0	-77.50	404.72	2.19	-75.31
O=C(CC[NH+]1CCCCCC1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029216462	0	55	0.0	-77.68	407.72	4.29	-73.39
O=C(C[NH+]1CCCCC1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029216465	0	49	0.0	-67.21	372.22	4.04	-63.17
CC1C(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC[N@@H+]1C	REAL300029216475	0	49	0.0	-68.85	370.92	3.06	-65.79
CC1C(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC[N@H+]1C	REAL300029216475	1	49	0.0	-70.95	367.39	3.02	-67.93
C[N@@H+]1CCCCC1CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029216478	0	55	0.0	-67.85	411.60	5.13	-62.72
C[N@H+]1CCCCC1CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029216478	1	55	0.0	-71.63	403.64	4.54	-67.09
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CC[N@@H+]2CCOCC12	REAL300029216516	0	51	0.0	-66.99	386.66	2.58	-64.41
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CC[N@H+]2CCOCC12	REAL300029216516	1	51	0.0	-66.02	384.13	2.50	-63.52
CC1=[NH+]C=C2C=CC(C(=O)NC3CC4CN(C(=O)C5=CC(=O)[N-]O5)CC43)=CN21	REAL300029216524	0	47	0.0	-71.45	385.26	4.95	-66.50
CN1CCOCC1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029216547	0	50	0.0	-72.30	381.99	2.11	-70.19
C[N@@H+]1CCOCC1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029216547	1	50	0.0	-72.76	376.27	1.48	-71.28
C[N@H+]1CCOCC1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029216547	1	50	0.0	-72.30	381.99	2.11	-70.19
CC1=C(C)[NH+]=C(CCC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)N1	REAL300029216559	1	50	0.0	-69.99	403.82	2.97	-67.02
C[NH+](C)CCC1=CC=CC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)=C1	REAL300029216571	0	55	0.0	-78.50	433.78	6.14	-72.36
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CCN1CC1=CC=CC=C1	REAL300029216575	0	53	0.0	-78.53	425.39	5.65	-72.88
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300029216575	1	53	0.0	-78.30	424.91	5.68	-72.62
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CC[N@H+]1CC1=CC=CC=C1	REAL300029216575	1	53	0.0	-78.53	425.39	5.65	-72.88
CC(C)C[N@@H+]1CCCC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029216579	0	58	0.0	-69.50	428.14	5.71	-63.79
CC(C)C[N@H+]1CCCC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029216579	1	58	0.0	-73.48	434.67	5.39	-68.09
C[N@H+]1CCCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029216747	1	46	0.0	-69.04	354.28	2.72	-66.32
CN1CCOC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029216773	0	47	0.0	-89.01	365.54	2.58	-86.43
C[N@@H+]1CCOC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029216773	1	47	0.0	-72.53	357.90	2.06	-70.47
C[N@H+]1CCOC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029216773	1	47	0.0	-89.01	365.54	2.58	-86.43
CC1=[NH+]C=CN1CCCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029216946	1	50	0.0	-70.29	406.95	4.87	-65.42
O=C(CCCC[NH+]1CCOCC1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029216950	1	56	0.0	-77.75	431.29	3.61	-74.14
C[NH+](C)CC1=CC=C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C=C1	REAL300029216956	0	52	0.0	-81.09	410.04	4.99	-76.10
O=C(CC[NH+]1CCOCC1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029216957	1	50	0.0	-76.73	391.25	1.98	-74.75
C[NH+](C)C(C)(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C1=CC=CC=C1	REAL300029216977	0	55	0.0	-72.70	401.93	5.16	-67.54
CCC[NH+](CCC)CCCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029216985	0	60	0.0	-74.33	451.10	5.94	-68.39
CC[N@H+](C)C(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C1=CC=CC=C1	REAL300029216986	0	55	0.0	-68.88	423.31	5.80	-63.08
CC[N@@H+](C)C(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C1=CC=CC=C1	REAL300029216986	1	55	0.0	-68.06	423.81	5.79	-62.27
O=C(NC1CC2CN(C(=O)C34CCC[NH+]3CCC4)CC21)C1=CC(=O)[N-]O1	REAL300029217004	0	50	0.0	-66.92	372.63	3.20	-63.72
O=C(NC1CC2CN(C(=O)C3=CC4=C[NH+]=CN4C=C3)CC21)C1=CC(=O)[N-]O1	REAL300029217022	1	44	0.0	-80.58	368.97	5.68	-74.90
C[NH+](C)C1CCCC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029217102	0	55	0.0	-73.45	413.97	4.63	-68.82
C[N@@H+]1CCC(CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029217109	0	49	0.0	-74.46	383.61	3.43	-71.03
C[N@H+]1CCC(CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029217109	1	49	0.0	-76.70	379.46	3.60	-73.10
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029217123	0	48	0.0	-78.47	386.68	1.65	-76.82
CCC(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300029217129	0	48	0.0	-70.14	366.50	2.97	-67.17
O=C(NC1CC2CN(C(=O)C3=NN(C4=CC=[NH+]C=C4)C=C3)CC21)C1=CC(=O)[N-]O1	REAL300029217139	1	47	0.0	-85.62	389.34	3.55	-82.07
CC1CC2CCC(C(=O)N3CC4CC(NC(=O)C5=CC(=O)[N-]O5)C4C3)C[N@@H+]2C1	REAL300029217191	0	56	0.0	-71.40	419.74	5.13	-66.27
CC1CC2CCC(C(=O)N3CC4CC(NC(=O)C5=CC(=O)[N-]O5)C4C3)C[N@H+]2C1	REAL300029217191	1	56	0.0	-58.15	410.03	5.22	-52.93
C[NH+](C)CCCCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029217229	0	51	0.0	-75.99	398.38	4.14	-71.85
CC(C)C(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300029217253	0	51	0.0	-70.86	379.18	3.34	-67.52
CCC[N@H+](C)CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029217255	0	51	0.0	-74.64	397.57	3.93	-70.71
CCC[N@@H+](C)CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029217255	1	51	0.0	-74.47	398.31	3.83	-70.64
CCC[N@H+](C)CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029217262	0	48	0.0	-72.03	375.19	3.36	-68.67
CCC[N@@H+](C)CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029217262	1	48	0.0	-72.09	375.19	3.34	-68.75
O=C(NC1CC2CN(C(=O)C34CC[N@H+](C3)CCC4)CC21)C1=CC(=O)[N-]O1	REAL300029217293	0	50	0.0	-80.22	364.39	2.76	-77.46
O=C(NC1CC2CN(C(=O)C34CC[N@@H+](C3)CCC4)CC21)C1=CC(=O)[N-]O1	REAL300029217293	1	50	0.0	-59.35	367.60	3.24	-56.11
CCCCCC[N@H+](C)CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029217347	0	57	0.0	-73.27	439.69	5.70	-67.57
CCCCCC[N@@H+](C)CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029217347	1	57	0.0	-73.28	439.69	5.68	-67.60
CC[NH+](CC)C(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C(C)C	REAL300029217358	0	57	0.0	-68.63	410.79	4.97	-63.66
CC1CC[NH+](CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029217403	0	52	0.0	-72.11	399.11	4.32	-67.79
O=C(NC1CC2CN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)CC21)C1=CC(=O)[N-]O1	REAL300029217435	1	47	0.0	-71.00	388.31	3.44	-67.56
C[NH+]1CCC(OCC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029217445	0	53	0.0	-78.90	415.91	4.10	-74.80
O=C(NC1CC2CN(C(=O)C3CC4CCCC[N@@H+]4C3)CC21)C1=CC(=O)[N-]O1	REAL300029217518	0	53	0.0	-71.04	400.10	4.35	-66.69
O=C(NC1CC2CN(C(=O)C3CC4CCCC[N@H+]4C3)CC21)C1=CC(=O)[N-]O1	REAL300029217518	1	53	0.0	-70.90	400.18	4.35	-66.55
C[NH+](C)CC1(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029217534	0	49	0.0	-77.79	378.97	3.89	-73.90
CC1=[NH+]C=C2CCC(C(=O)N3CC4CC(NC(=O)C5=CC(=O)[N-]O5)C4C3)CN21	REAL300029217535	1	51	0.0	-68.95	404.06	4.41	-64.54
CC(C)[NH+]1CCC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029217547	0	55	0.0	-77.64	411.16	5.04	-72.60
CC[N@H+](C)CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029217587	0	48	0.0	-73.92	376.07	3.18	-70.74
CC[N@@H+](C)CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029217587	1	48	0.0	-73.94	376.07	3.17	-70.77
CC(C)(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+]1CCCCC1	REAL300029217623	0	55	0.0	-66.84	396.08	4.73	-62.11
O=C(NC1CC2CN(C(=O)C3C[NH+]4CCC3CC4)CC21)C1=CC(=O)[N-]O1	REAL300029217642	0	50	0.0	-82.50	370.57	3.85	-78.65
C[NH+]1CCC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029217744	0	49	0.0	-76.07	379.50	3.46	-72.61
CC(C)[C@H](C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300029217767	0	51	0.0	-70.94	380.88	3.50	-67.44
O=C(NC1CC2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC21)C1=CC(=O)[N-]O1	REAL300029217869	0	56	0.0	-75.46	426.01	5.40	-70.06
CC[NH+](CC)CC(F)C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029217917	0	51	0.0	-74.38	392.13	3.40	-70.98
C[NH+](C)CC1=C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)SC=C1	REAL300029217918	0	49	0.0	-62.70	392.09	4.26	-58.44
CC(C)C[N@@H+]1CCC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029217965	0	55	0.0	-73.06	413.57	4.75	-68.31
CC(C)C[N@H+]1CCC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029217965	1	55	0.0	-74.20	415.06	4.77	-69.43
C[NH+](C)C1(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CCC1	REAL300029217969	0	49	0.0	-72.39	362.89	2.95	-69.44
CCC(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](CC)CC	REAL300029218008	0	54	0.0	-65.69	395.01	3.82	-61.87
CC1CCC[N@@H+]1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029218040	0	49	0.0	-69.44	377.93	3.76	-65.68
CC1CCC[N@H+]1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029218040	1	49	0.0	-70.46	373.03	3.80	-66.66
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029218139	1	53	0.0	-66.56	421.99	5.00	-61.56
CC(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+]1CCCCCC1	REAL300029218146	0	55	0.0	-57.46	401.27	4.71	-52.75
CC(C)[N@@H+]1CCCCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029218149	0	55	0.0	-65.37	407.68	4.26	-61.11
CC(C)[N@H+]1CCCCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029218149	1	55	0.0	-66.31	398.68	4.15	-62.16
CC(C)[N@@H+]1CCCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029218184	0	52	0.0	-70.84	382.65	4.19	-66.65
CC(C)[N@H+]1CCCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029218184	1	52	0.0	-70.74	382.40	4.16	-66.58
C[NH+](C)C(CN1C=CC=N1)C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029218191	1	52	0.0	-66.71	407.13	3.10	-63.61
CC(C)[N@@H+]1CCCC1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029218197	0	55	0.0	-65.57	405.40	3.92	-61.65
CC(C)[N@H+]1CCCC1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029218197	1	55	0.0	-64.65	403.91	4.13	-60.52
O=C(NC1CC2CN(C(=O)C3CCC[N@@H+]3C3CCCC3)CC21)C1=CC(=O)[N-]O1	REAL300029218198	0	56	0.0	-71.82	414.14	5.79	-66.03
O=C(NC1CC2CN(C(=O)C3CCC[N@H+]3C3CCCC3)CC21)C1=CC(=O)[N-]O1	REAL300029218198	1	56	0.0	-69.29	421.22	5.27	-64.02
CC(C)[C@@H](C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300029218225	0	51	0.0	-69.68	378.87	3.27	-66.41
CC1CC[N@H+](CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029218262	0	49	0.0	-70.95	382.89	3.54	-67.41
CC1CC[N@@H+](CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029218262	1	49	0.0	-70.97	381.30	3.62	-67.35
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029218263	0	55	0.0	-67.36	410.13	4.11	-63.25
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029218263	1	55	0.0	-66.31	408.85	4.09	-62.22
CC1=[NH+]C=C2CC(C(=O)N3CC4CC(NC(=O)C5=CC(=O)[N-]O5)C4C3)CCN21	REAL300029218265	1	51	0.0	-69.67	404.93	4.47	-65.20
C[NH+](C)CCC1=CC=C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C=C1	REAL300029218267	0	55	0.0	-81.66	432.53	5.84	-75.82
CC1(C)CC[N@H+](CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029218269	0	52	0.0	-71.30	397.60	4.22	-67.08
CC1(C)CC[N@@H+](CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029218269	1	52	0.0	-71.34	397.74	4.22	-67.12
C[N@H+](CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)CC(C)(C)C	REAL300029218270	0	54	0.0	-71.64	406.06	4.33	-67.31
C[N@@H+](CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)CC(C)(C)C	REAL300029218270	1	54	0.0	-73.34	403.66	4.90	-68.44
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029218271	0	55	0.0	-76.06	435.10	6.37	-69.69
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029218271	1	55	0.0	-75.92	435.10	6.39	-69.53
CC[C@@H](C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300029218283	0	48	0.0	-68.48	364.61	2.87	-65.61
CC(COCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+]1CCCC1	REAL300029218291	0	56	0.0	-70.65	431.66	4.79	-65.86
CN(CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C1=CC=[NH+]C=C1	REAL300029218464	0	51	0.0	-69.09	410.71	3.63	-65.46
CC1=[NH+]C=CN1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029218597	1	44	0.0	-68.43	365.39	3.54	-64.89
CC(C[NH+]1CCOCC1)C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029218599	0	53	0.0	-74.60	404.03	2.31	-72.29
O=C(CCC[NH+]1CCCCC1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029218621	0	55	0.0	-73.32	421.02	5.16	-68.16
C[NH+](C)CC1=CC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=NO1	REAL300029218644	1	48	0.0	-79.38	391.23	3.11	-76.27
CC1=C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C=CC2=C[NH+]=CN21	REAL300029218646	0	47	0.0	-73.71	387.17	5.53	-68.18
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029218700	1	50	0.0	-67.13	401.71	4.66	-62.47
O=C(NC1CC2CN(C(=O)C3CCCC4CCC[N@@H+]43)CC21)C1=CC(=O)[N-]O1	REAL300029218757	0	53	0.0	-67.90	388.75	4.11	-63.79
O=C(NC1CC2CN(C(=O)C3CCCC4CCC[N@H+]43)CC21)C1=CC(=O)[N-]O1	REAL300029218757	1	53	0.0	-69.96	386.08	4.47	-65.49
CC[N@@H+]1CCOC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029218795	1	50	0.0	-71.61	378.88	2.52	-69.09
CC[N@H+]1CCOC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029218795	1	50	0.0	-71.64	379.34	2.56	-69.08
O=C(NC1CC2CN(C(=O)C3=CN4C=[NH+]C=C4C=C3)CC21)C1=CC(=O)[N-]O1	REAL300029218880	0	44	0.0	-74.58	370.79	5.21	-69.37
CC1=C[NH+]=CN1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029218885	1	44	0.0	-71.59	365.72	4.27	-67.32
C[NH+](C)CCN1C=C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C=N1	REAL300029218891	0	52	0.0	-81.53	410.93	3.02	-78.51
C[NH+](C)CCN1C=CC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=N1	REAL300029218907	0	52	0.0	-83.87	418.00	3.49	-80.38
C[C@@H]1[C@H](C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC[N@@H+]1C	REAL300029218914	0	49	0.0	-80.89	369.80	3.38	-77.51
C[C@@H]1[C@H](C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC[N@H+]1C	REAL300029218914	1	49	0.0	-73.41	377.33	3.36	-70.05
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029218917	1	53	0.0	-67.21	421.92	5.18	-62.03
CC[C@@H]1[C@@H](C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC[N@@H+]1C	REAL300029218920	0	52	0.0	-75.95	384.30	3.44	-72.51
CC[C@@H]1[C@@H](C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC[N@H+]1C	REAL300029218920	1	52	0.0	-71.78	392.86	3.84	-67.94
CC1CCC(C)[NH+]1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029218945	0	52	0.0	-67.84	393.26	3.83	-64.01
O=C(CCC[NH+]1CCCC1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029218952	0	52	0.0	-72.88	405.06	4.44	-68.44
C[NH+](C)CC1=CC=CC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=C1	REAL300029218953	0	52	0.0	-81.67	409.00	5.08	-76.59
C#CC[NH+]1CCC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029218961	0	51	0.0	-81.43	402.01	5.06	-76.37
O=C(CC[NH+]1CCCCC1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029218962	0	52	0.0	-73.14	400.53	4.29	-68.85
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029218967	0	52	0.0	-65.96	408.28	4.92	-61.04
CC[N@@H+]1CCCCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029218977	0	52	0.0	-67.26	391.35	4.14	-63.12
CC[N@H+]1CCCCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029218977	1	52	0.0	-67.16	393.68	3.95	-63.21
CC(C)C(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+]1CCCCC1	REAL300029218978	0	58	0.0	-67.64	420.85	5.31	-62.33
C[NH+](C)C(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C1=CC=CC=C1	REAL300029218981	1	52	0.0	-68.61	404.87	5.14	-63.47
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029218990	1	51	0.0	-70.79	407.83	6.02	-64.77
C[NH+](C)CC1(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CCCCC1	REAL300029219039	0	58	0.0	-75.20	410.62	4.88	-70.32
C[NH+](C)CCC1=CC=CC=C1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029219040	0	55	0.0	-68.35	430.08	5.64	-62.71
C[N@H+](CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C1CCCCC1	REAL300029219046	0	58	0.0	-74.37	435.13	5.46	-68.91
C[N@@H+](CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C1CCCCC1	REAL300029219046	1	58	0.0	-74.53	435.12	5.47	-69.06
C[NH+](C)C1(CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CCCC1	REAL300029219049	0	55	0.0	-75.18	400.26	4.27	-70.91
C[N@H+](CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C1CCC1	REAL300029219311	0	49	0.0	-69.62	382.06	3.93	-65.69
C[N@@H+](CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C1CCC1	REAL300029219311	1	49	0.0	-71.49	379.38	4.32	-67.17
CC(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+]1C(C)CCC1C	REAL300029219348	0	55	0.0	-68.88	404.22	4.38	-64.50
O=C(CCCC[NH+]1CCCC1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029219368	0	55	0.0	-73.98	425.69	5.16	-68.82
C[N@H+](CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)CC1=CC=CC=C1	REAL300029219371	1	52	0.0	-76.40	412.61	5.54	-70.86
C[N@@H+](CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)CC1=CC=CC=C1	REAL300029219371	1	52	0.0	-76.56	412.67	5.53	-71.03
C[NH+]1CCC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029219389	0	49	0.0	-76.07	379.50	3.46	-72.61
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029219466	0	46	0.0	-70.28	351.27	2.43	-67.85
C[N@H+]1CCC[C@@H]1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029219466	1	46	0.0	-70.17	361.64	2.79	-67.38
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029219492	1	48	0.0	-69.19	381.66	3.66	-65.53
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029219492	1	48	0.0	-70.21	380.80	4.08	-66.13
C[N@@H+]1CCCC1CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029219502	0	52	0.0	-77.79	400.06	4.48	-73.31
C[N@H+]1CCCC1CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029219502	1	52	0.0	-71.63	398.56	3.88	-67.75
O=C(NC1CC2CN(C(=O)C34CCC[NH+](CCC3)C4)CC21)C1=CC(=O)[N-]O1	REAL300029219516	0	53	0.0	-75.93	381.65	4.05	-71.88
O=C(NC1CC2CN(C(=O)C3CCC4CCCC[N@@H+]43)CC21)C1=CC(=O)[N-]O1	REAL300029219524	0	53	0.0	-67.72	395.27	4.36	-63.36
O=C(NC1CC2CN(C(=O)C3CCC4CCCC[N@H+]43)CC21)C1=CC(=O)[N-]O1	REAL300029219524	1	53	0.0	-66.80	400.97	4.69	-62.11
CCC[N@@H+]1CCCC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029219630	0	55	0.0	-69.85	420.47	4.87	-64.98
CCC[N@H+]1CCCC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029219630	1	55	0.0	-66.87	415.33	4.85	-62.02
CC(C)[N@@H+]1CCOC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029219654	1	53	0.0	-80.16	402.89	3.36	-76.80
CC(C)[N@H+]1CCOC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029219654	1	53	0.0	-72.17	396.49	3.08	-69.09
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029219675	0	56	0.0	-72.99	409.07	2.56	-70.43
C[N@@H+]1CCCCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029219696	0	49	0.0	-68.00	375.56	3.32	-64.68
C[N@H+]1CCCCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029219696	1	49	0.0	-68.02	376.83	3.44	-64.58
CC(C)C[N@@H+]1CCCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029219731	0	55	0.0	-70.05	407.53	5.16	-64.89
CC(C)C[N@H+]1CCCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029219731	1	55	0.0	-72.24	412.25	5.04	-67.20
O=C(C[NH+]1CCC(CO)CC1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029219752	0	53	0.0	-73.30	409.95	1.01	-72.29
C[NH+]1C2CCC1CC(=CC(=O)N1CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C1)C2	REAL300029219794	0	54	0.0	-71.51	408.82	4.74	-66.77
CC1C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC[N@@H+]1C	REAL300029219816	0	49	0.0	-71.50	377.79	3.15	-68.35
CC1C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC[N@H+]1C	REAL300029219816	1	49	0.0	-76.78	377.70	3.71	-73.07
C[N@@H+]1CCCCC1CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029219820	0	55	0.0	-76.64	406.58	4.72	-71.92
C[N@H+]1CCCCC1CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029219820	1	55	0.0	-76.58	406.68	4.71	-71.87
NC1=[NH+]C2=C(C=C1C(=O)N1CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C1)CCC2	REAL300029219865	1	49	0.0	-64.13	390.10	2.52	-61.61
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029219957	0	52	0.0	-68.49	398.35	3.61	-64.88
CC(C)(C)[N@H+]1CCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029219957	1	52	0.0	-69.71	373.81	2.92	-66.79
O=C(NC1CC2CN(C(=O)C3CCN(C4=CC=[NH+]C=C4)C3)CC21)C1=CC(=O)[N-]O1	REAL300029219977	0	52	0.0	-73.61	406.95	2.12	-71.49
C[C@@H](C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300029219982	0	45	0.0	-70.05	351.34	2.11	-67.94
C[NH+](C)CC1=CC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=CC=N1	REAL300029220004	1	51	0.0	-75.42	404.44	3.67	-71.75
C=CCC(C)(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300029220010	0	52	0.0	-74.97	378.51	3.70	-71.27
CC[NH+](CC)CCSCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029220044	0	55	0.0	-76.99	435.61	5.31	-71.68
NC1=C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C=[NH+]C2=CC=CC=C21	REAL300029220045	1	48	0.0	-66.63	387.34	2.01	-64.62
O=C(CC[NH+]1CCCC1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029220050	0	49	0.0	-73.36	384.31	3.69	-69.67
C[N@H+](CCO)CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029220060	1	46	0.0	-72.87	364.04	-0.63	-73.50
C[N@@H+](CCO)CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029220060	1	46	0.0	-72.26	363.82	-0.64	-72.90
O=C(NC1CC2CN(C(=O)C3C[N@@H+]4CCN3CCC4)CC21)C1=CC(=O)[N-]O1	REAL300029220106	0	52	0.0	-82.19	374.74	1.37	-80.82
O=C(NC1CC2CN(C(=O)C3C[N@H+]4CCN3CCC4)CC21)C1=CC(=O)[N-]O1	REAL300029220106	1	52	0.0	-83.48	380.52	1.58	-81.90
CC(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+]1CCSCC1	REAL300029220143	1	50	0.0	-72.08	394.36	3.75	-68.33
C[N@H+]1CC=C(CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029220198	0	50	0.0	-71.29	391.89	4.33	-66.96
C[N@@H+]1CC=C(CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029220198	1	50	0.0	-69.24	391.87	4.30	-64.94
C[S+](C)CCC(O)C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029220218	0	48	0.0	-75.87	397.10	1.42	-74.45
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029220246	0	50	0.0	-75.45	375.20	-0.29	-75.74
C[N@H+]1CC(O)CC1(C)C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029220246	1	50	0.0	-71.78	377.31	-0.59	-72.37
CN1CC[N@H+](C)CC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029220264	0	54	0.0	-59.15	405.73	2.34	-56.81
CN1CC[N@@H+](C)CC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029220264	1	54	0.0	-75.05	402.94	1.85	-73.20
CC(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[N@@H+]1CCCC(O)C1	REAL300029220265	0	53	0.0	-74.10	404.05	1.26	-72.84
CC(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[N@H+]1CCCC(O)C1	REAL300029220265	1	53	0.0	-69.16	403.04	0.84	-68.32
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029220302	0	49	0.0	-69.43	396.99	2.64	-66.79
C[N@@H+]1CCCC(O)(CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029220310	0	53	0.0	-69.06	393.24	2.14	-66.92
C[N@H+]1CCCC(O)(CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029220310	1	53	0.0	-68.62	403.21	2.36	-66.26
CC1C[NH+](CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029220317	1	46	0.0	-72.55	366.66	2.99	-69.56
CC[N@@H+]1CCCC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029220325	0	52	0.0	-71.41	393.48	3.93	-67.48
CC[N@H+]1CCCC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029220325	1	52	0.0	-70.07	384.61	4.02	-66.05
NC1=[NH+]C=CC=C1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029220339	0	45	0.0	-69.18	367.43	2.16	-67.02
O=C(NC1CC2CN(C(=O)C3CCC[N@@H+]3C3CC3)CC21)C1=CC(=O)[N-]O1	REAL300029220355	0	50	0.0	-70.33	383.64	3.88	-66.45
O=C(NC1CC2CN(C(=O)C3CCC[N@H+]3C3CC3)CC21)C1=CC(=O)[N-]O1	REAL300029220355	1	50	0.0	-71.04	381.76	3.75	-67.29
O=C(C=CC[NH+]1CCCC1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029220418	0	50	0.0	-75.46	398.08	4.22	-71.24
O=C(NC1CC2CN(C(=O)C3CC[NH+](C4CC4)CC3)CC21)C1=CC(=O)[N-]O1	REAL300029220450	0	53	0.0	-73.33	404.35	4.65	-68.68
CC[N@H+](C)CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029220508	0	45	0.0	-71.75	353.69	2.60	-69.15
O=C(CN1CC2C=CC1C2)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029220587	0	48	0.0	-68.14	372.18	3.80	-64.34
O=C(C[N@@H+]1CC2C=CC1C2)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029220587	1	48	0.0	-70.11	375.09	3.90	-66.21
O=C(C[N@H+]1CC2C=CC1C2)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029220587	1	48	0.0	-70.11	375.09	3.90	-66.21
CC1=CC=C(NCCC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)N=C1	REAL300029220612	0	51	0.0	-69.30	411.92	3.41	-65.89
CC1=CC=C(NCCC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)[NH+]=C1	REAL300029220612	1	51	0.0	-69.30	411.92	3.41	-65.89
O=C(NC1CC2CN(C(=O)C34CCC[N@@H+]3CCCC4)CC21)C1=CC(=O)[N-]O1	REAL300029220757	0	53	0.0	-67.57	379.30	3.73	-63.84
O=C(NC1CC2CN(C(=O)C34CCC[N@H+]3CCCC4)CC21)C1=CC(=O)[N-]O1	REAL300029220757	1	53	0.0	-67.57	379.30	3.73	-63.84
O=C(NC1CC2CN(C(=O)C34CCC[N@@H+]3CC=CC4)CC21)C1=CC(=O)[N-]O1	REAL300029220769	0	51	0.0	-67.76	374.90	3.97	-63.79
O=C(NC1CC2CN(C(=O)C34CCC[N@H+]3CC=CC4)CC21)C1=CC(=O)[N-]O1	REAL300029220769	1	51	0.0	-67.76	374.90	3.97	-63.79
CC(OCC[NH+](C)C)C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029220783	0	52	0.0	-71.58	407.65	3.51	-68.07
C[NH+](C)CCOCCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029220796	0	52	0.0	-73.19	409.84	2.80	-70.39
COCCN(C)CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029220798	0	49	0.0	-72.05	386.07	1.77	-70.28
COCC[N@H+](C)CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029220798	1	49	0.0	-73.07	386.29	1.77	-71.30
COCC[N@@H+](C)CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029220798	1	49	0.0	-73.07	386.29	1.77	-71.30
CC(CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300029220805	0	51	0.0	-78.18	386.36	3.75	-74.43
CC[N@H+](CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C1CC1	REAL300029220848	0	49	0.0	-68.14	385.12	3.86	-64.28
CC[N@@H+](CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C1CC1	REAL300029220848	1	49	0.0	-70.23	377.38	3.83	-66.40
C[NH+](C)C1(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CCCSC1	REAL300029220853	0	53	0.0	-84.14	389.96	4.38	-79.76
CC1C[N@@H+]2CCN1C(C(=O)N1CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C1)C2	REAL300029220868	0	52	0.0	-73.11	370.24	2.89	-70.22
CC1C[N@H+]2CCN1C(C(=O)N1CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C1)C2	REAL300029220868	1	52	0.0	-77.40	384.84	0.66	-76.74
C[N@@H+]1CC2CC1(C(=O)N1CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C1)C2	REAL300029220907	0	47	0.0	-70.85	358.69	3.22	-67.63
C[N@H+]1CC2CC1(C(=O)N1CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C1)C2	REAL300029220907	1	47	0.0	-73.74	359.75	2.96	-70.78
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029220919	1	49	0.0	-71.92	400.09	2.60	-69.32
O=C(C[N@@H+]1CC2CCC1C2)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029220928	0	50	0.0	-69.76	382.80	4.02	-65.74
O=C(C[N@H+]1CC2CCC1C2)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029220928	1	50	0.0	-68.87	380.35	3.71	-65.16
CC(C)[NH+]1CCC(CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029220946	0	58	0.0	-68.65	433.49	5.53	-63.12
CC(C[NH+](C)C)C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029220962	0	48	0.0	-71.01	375.36	3.02	-67.99
C[NH+](C)C1(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029220983	0	46	0.0	-74.08	353.33	2.52	-71.56
C[C@H](C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300029221016	0	45	0.0	-70.55	352.42	2.11	-68.44
CC[N@@H+]1CCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029221030	1	46	0.0	-71.91	358.19	3.10	-68.81
CC[N@H+]1CCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029221030	1	46	0.0	-71.24	367.86	2.83	-68.41
CC(C)[N@@H+]1CCCC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029221048	0	55	0.0	-66.69	402.44	5.11	-61.58
CC(C)[N@H+]1CCCC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029221048	1	55	0.0	-63.24	404.20	4.53	-58.71
CCC(C)(C)[NH2+]C(C)C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029221076	0	54	0.0	-70.77	400.87	2.67	-68.10
C#CC[N@H+]1CCCCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029221136	1	51	0.0	-68.72	389.70	4.21	-64.51
C#CC[N@@H+]1CCCCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029221136	1	51	0.0	-69.60	397.48	4.67	-64.93
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029221140	1	48	0.0	-66.24	385.19	2.54	-63.70
NC1=CC=[NH+]C=C1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029221141	0	42	0.0	-72.92	344.90	-0.24	-73.16
C[NH+](C)C(CC1=CC=CC=C1)C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029221147	0	55	0.0	-75.60	420.20	5.60	-70.00
CCCC(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300029221154	0	51	0.0	-71.10	386.52	3.57	-67.53
C[NH+](C)C(C)(C)C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029221162	0	48	0.0	-72.94	354.93	2.40	-70.54
CC(CC[NH+](C)C)C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029221189	0	51	0.0	-74.83	396.66	3.70	-71.13
O=C(NC1CC2CN(C(=O)[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC21)C1=CC(=O)[N-]O1	REAL300029221258	0	56	0.0	-65.97	397.77	4.44	-61.53
O=C(NC1CC2CN(C(=O)[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC21)C1=CC(=O)[N-]O1	REAL300029221258	1	56	0.0	-64.79	411.16	5.31	-59.48
O=C(NC1CC2CN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)CC21)C1=CC(=O)[N-]O1	REAL300029221299	0	51	0.0	-76.79	385.78	5.76	-71.03
O=C(NC1CC2CN(C(=O)C34CC(C3)C[N@H+]4C3CC3)CC21)C1=CC(=O)[N-]O1	REAL300029221299	1	51	0.0	-70.94	390.39	5.06	-65.88
COCCCC[N@H+](C)CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029221351	0	58	0.0	-78.46	452.74	3.78	-74.68
COCCCC[N@@H+](C)CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029221351	1	58	0.0	-78.24	453.48	3.68	-74.56
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029221363	0	52	0.0	-70.00	391.28	3.60	-66.40
C[N@H+]1CC(C)(C)CC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029221363	1	52	0.0	-69.88	394.36	3.50	-66.38
C[NH+](C)CCCCCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029221369	0	54	0.0	-75.16	419.88	4.93	-70.23
O=C(CC[NH+]1CCC(O)CC1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029221375	0	53	0.0	-77.16	410.60	1.02	-76.14
CCC[N@@H+]1CCCCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029221381	0	55	0.0	-70.60	408.17	4.45	-66.15
CCC[N@H+]1CCCCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029221381	1	55	0.0	-71.02	401.21	4.79	-66.23
CC[NH+]1CCN(CCC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029221392	0	57	0.0	-77.14	431.76	3.01	-74.13
CCN1CC[NH+](CCC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029221392	1	57	0.0	-75.21	431.63	2.66	-72.55
C[NH+]1CCN(CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029221396	1	51	0.0	-72.20	394.88	1.43	-70.77
CC(C)C[NH+]1CCC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029221539	0	58	0.0	-79.90	433.21	5.96	-73.94
CC1C[N@H+](C)CC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)O1	REAL300029221542	1	50	0.0	-72.85	382.59	2.66	-70.19
CC1C[N@@H+](C)CC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)O1	REAL300029221542	1	50	0.0	-83.15	390.26	2.87	-80.28
CCC1CCC[N@H+](CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029221584	0	55	0.0	-75.02	408.28	5.52	-69.50
CCC1CCC[N@@H+](CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029221584	1	55	0.0	-72.20	409.87	5.00	-67.20
C[NH+](C)CC1=CC=C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)N1	REAL300029221595	0	50	0.0	-82.75	397.74	3.13	-79.62
O=C(C[NH+]1CC2CC2C1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029221620	0	47	0.0	-71.94	371.29	3.79	-68.15
O=C(CC1([NH+]2CCCC2)CC1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029221643	0	53	0.0	-69.95	397.86	4.72	-65.23
CC([NH2+]C1(CO)CCCC1)C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029221666	0	56	0.0	-69.73	406.70	-0.53	-70.26
C[N@@H+]1CCCCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029221703	0	49	0.0	-68.00	375.56	3.32	-64.68
C[N@H+]1CCCCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029221703	1	49	0.0	-68.02	376.83	3.44	-64.58
O=C(NC1CC2CN(C(=O)C3CC[N@@H+]3CC3=CC=CC=C3)CC21)C1=CC(=O)[N-]O1	REAL300029221711	1	53	0.0	-75.11	427.95	5.81	-69.30
O=C(NC1CC2CN(C(=O)C3CC[N@H+]3CC3=CC=CC=C3)CC21)C1=CC(=O)[N-]O1	REAL300029221711	1	53	0.0	-71.67	417.18	6.01	-65.66
CC(C)C[N@@H+]1CCCC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029221718	0	58	0.0	-65.38	423.78	5.70	-59.68
CC(C)C[N@H+]1CCCC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029221718	1	58	0.0	-55.99	425.62	6.15	-49.84
C[NH+](C)C1CCN(CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029221793	0	57	0.0	-72.21	429.20	2.63	-69.58
C[N@@H+]1CCC(=CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029221875	0	47	0.0	-78.24	371.21	3.85	-74.39
C[N@H+]1CCC(=CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029221875	1	47	0.0	-76.15	374.06	3.44	-72.71
O=C(CNC1=CC=[NH+]C=C1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029221883	0	45	0.0	-73.57	368.77	1.24	-72.33
CC[NH+]1CCN(CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029221956	0	54	0.0	-71.15	412.12	2.07	-69.08
O=C(C=C1C[NH+]2CCC1CC2)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029221959	0	51	0.0	-68.29	391.59	4.33	-63.96
C[NH+](C)C1(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CCCC1	REAL300029222015	0	52	0.0	-79.64	380.35	4.42	-75.22
C[N@H+](CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[C@@H]1CCC[C@H]1O	REAL300029222032	0	53	0.0	-69.07	407.43	1.05	-68.02
C[N@@H+](CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[C@@H]1CCC[C@H]1O	REAL300029222032	1	53	0.0	-69.69	407.07	1.22	-68.47
CCC1C[NH+](CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029222040	0	49	0.0	-73.03	389.18	3.68	-69.35
O=C(NC1CC2CN(C(=O)C3C[NH+](C4CCOCC4)C3)CC21)C1=CC(=O)[N-]O1	REAL300029222044	0	54	0.0	-78.11	419.96	2.78	-75.33
O=C(NC1CC2CN(C(=O)C3([NH+]4CCCC4)CCC3)CC21)C1=CC(=O)[N-]O1	REAL300029222047	0	53	0.0	-70.49	390.37	4.10	-66.39
C[N@@H+]1CCC[C@H]1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029222064	0	46	0.0	-68.48	354.24	2.72	-65.76
C[N@H+]1CCC[C@H]1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029222064	1	46	0.0	-71.35	354.58	2.44	-68.91
CC[N@@H+]1CCOCC1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029222106	0	53	0.0	-79.59	401.90	2.81	-76.78
O=C(NC1CC2CN(C(=O)C3=CC(=O)NC4=C3CCC[NH2+]4)CC21)C1=CC(=O)[N-]O1	REAL300029222115	0	50	0.0	-89.68	403.90	1.27	-88.41
O=C(NC1CC2CN(C(=O)C3C[NH+](C4CCCCC4)C3)CC21)C1=CC(=O)[N-]O1	REAL300029222135	0	56	0.0	-75.10	428.40	5.25	-69.85
COC1C[N@@H+]2CCCC2(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029222157	0	54	0.0	-69.86	405.48	2.23	-67.63
COC1C[N@H+]2CCCC2(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029222157	1	54	0.0	-69.86	405.48	2.23	-67.63
NC1=NC2=CC(C(=O)N3CC4CC(NC(=O)C5=CC(=O)[N-]O5)C4C3)=CC=C2N1	REAL300029222234	0	46	0.0	-74.41	374.47	2.57	-71.84
NC1=[NH+]C2=CC(C(=O)N3CC4CC(NC(=O)C5=CC(=O)[N-]O5)C4C3)=CC=C2N1	REAL300029222234	1	46	0.0	-74.41	374.47	2.57	-71.84
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029222290	0	49	0.0	-76.50	383.73	4.12	-72.38
C[NH+](C)CCC1(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CCCC1	REAL300029222303	0	58	0.0	-82.79	426.89	5.54	-77.25
CC1CCCC(C)[NH+]1CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029222305	0	58	0.0	-70.01	427.02	5.14	-64.87
C[NH+](C)C1CCC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029222308	0	55	0.0	-82.04	407.41	4.85	-77.19
C[NH+](C)CCC1(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029222309	0	52	0.0	-77.05	404.43	4.33	-72.72
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029222314	0	55	0.0	-65.49	405.92	4.51	-60.98
C[N@@H+]1CC=CCC1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029222315	0	50	0.0	-75.99	386.80	4.01	-71.98
C[N@H+]1CC=CCC1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029222315	1	50	0.0	-65.51	382.86	3.84	-61.67
CC1=CC(C=CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=C[NH+]=C1N	REAL300029222388	1	49	0.0	-74.94	400.28	2.90	-72.04
C[NH+](C)CCOCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029222405	0	49	0.0	-73.44	388.89	3.09	-70.35
CCCCC[N@H+](C)CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029222412	0	57	0.0	-75.63	440.57	5.49	-70.14
CCCCC[N@@H+](C)CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029222412	1	57	0.0	-75.38	441.31	5.39	-69.99
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)O1	REAL300029222427	0	53	0.0	-77.53	409.33	4.51	-73.02
[NH2+]=C1SC=CN1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029222462	0	42	0.0	-69.40	360.26	2.50	-66.90
C[C@@H](OCC[NH+](C)C)C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029222565	0	52	0.0	-70.69	407.45	3.44	-67.25
O=C(CC[NH+]1CCCCCC1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029222648	0	55	0.0	-73.86	407.91	4.72	-69.14
O=C(C[NH+]1CCCCC1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029222653	0	49	0.0	-71.46	377.71	3.80	-67.66
C[N@@H+]1CCCC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029222655	0	49	0.0	-69.85	372.54	3.46	-66.39
C[N@H+]1CCCC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029222655	1	49	0.0	-74.25	370.38	3.32	-70.93
O=C(C[NH+]1CCC(CO)CC1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029222657	0	53	0.0	-73.30	409.95	1.01	-72.29
O=C(C[NH+]1CCCCCC1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029222663	0	52	0.0	-71.01	387.04	3.99	-67.02
CN1C=C[N+](CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=C1	REAL300029222670	0	44	0.0	-70.34	364.28	5.49	-64.85
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029222691	0	58	0.0	-77.27	405.56	4.11	-73.16
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029222691	1	58	0.0	-64.24	406.76	4.48	-59.76
C[NH+](C)CC1=CC=C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)O1	REAL300029222697	1	49	0.0	-81.77	393.30	3.68	-78.09
C[NH+](C)CC1=CC=C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C=N1	REAL300029222706	0	51	0.0	-79.28	404.19	3.02	-76.26
O=C(C[NH+]1CCC(O)CC1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029222727	1	50	0.0	-75.49	388.78	0.45	-75.04
C[N@H+](CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C1CC1	REAL300029222734	0	46	0.0	-68.75	366.00	3.25	-65.50
C[N@@H+](CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C1CC1	REAL300029222734	1	46	0.0	-69.63	362.47	3.39	-66.24
CC(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)N1CC[NH+](C)CC1	REAL300029222736	1	54	0.0	-73.37	411.18	1.66	-71.71
O=C(CC[N@H+]1CCC(F)C1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029222742	0	49	0.0	-79.22	386.91	3.83	-75.39
O=C(CC[N@@H+]1CCC(F)C1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029222742	1	49	0.0	-78.32	391.02	3.66	-74.66
COC1C[N@H+](C)C(C)(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029222759	0	53	0.0	-67.03	399.27	1.78	-65.25
COC1C[N@@H+](C)C(C)(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029222759	1	53	0.0	-69.58	393.84	1.67	-67.91
C[NH+](C)CCC1=CC=CC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=C1	REAL300029222781	0	55	0.0	-84.01	430.81	5.65	-78.36
CC(CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C[NH+](C)C	REAL300029222787	0	51	0.0	-77.82	390.13	4.00	-73.82
O=C(NC1CC2CN(C(=O)C3CC[N@@H+]4CCOCC34)CC21)C1=CC(=O)[N-]O1	REAL300029222810	0	51	0.0	-70.27	385.14	2.18	-68.09
O=C(NC1CC2CN(C(=O)C3CC[N@H+]4CCOCC34)CC21)C1=CC(=O)[N-]O1	REAL300029222810	1	51	0.0	-78.47	388.15	2.08	-76.39
CC1=[NH+]C=C2C=CC(C(=O)N3CC4CC(NC(=O)C5=CC(=O)[N-]O5)C4C3)=CN21	REAL300029222819	0	47	0.0	-70.14	392.09	4.98	-65.16
C[N@@H+]1CCOCC1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029222843	1	50	0.0	-78.87	386.17	1.77	-77.10
C[N@H+]1CCOCC1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029222843	1	50	0.0	-78.52	386.93	1.79	-76.73
C[NH+](C)CC(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C1=CC=CC=C1	REAL300029222853	0	55	0.0	-73.23	432.62	5.88	-67.35
CC[NH+]1CCN(CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029222859	0	54	0.0	-71.15	412.12	2.07	-69.08
CC1=CC(N)=[NH+]C=C1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029222933	1	45	0.0	-73.33	365.82	1.07	-72.26
NC1=CC=C(CCC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C=[NH+]1	REAL300029222936	0	48	0.0	-71.20	395.73	2.35	-68.85
CC1(O)CC[N@H+](CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029223004	0	50	0.0	-70.51	392.77	0.24	-70.27
CC1(O)CC[N@@H+](CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029223004	1	50	0.0	-71.11	388.64	0.38	-70.73
C[NH+](C)CCN1N=CC=C1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029223015	0	52	0.0	-68.64	410.00	2.97	-65.67
C[NH+]1CC(CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029223055	0	46	0.0	-73.30	364.44	2.82	-70.48
O=C(NC1CC2CN(C(=O)C3CC[N@@H+]3C3CCCC3)CC21)C1=CC(=O)[N-]O1	REAL300029223061	0	53	0.0	-72.21	407.61	4.83	-67.38
O=C(NC1CC2CN(C(=O)C3CC[N@H+]3C3CCCC3)CC21)C1=CC(=O)[N-]O1	REAL300029223061	1	53	0.0	-72.97	403.62	4.76	-68.21
C[NH+](C)CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029223071	0	42	0.0	-72.74	333.02	1.98	-70.76
C[N@H+](CCO)CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029223118	0	49	0.0	-73.84	386.42	-0.06	-73.90
C[N@@H+](CCO)CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029223118	1	49	0.0	-73.04	387.15	-0.16	-73.20
C[C@@H](C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300029223119	0	45	0.0	-70.05	351.34	2.11	-67.94
C[N@@H+]1CCCCC1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029223147	0	52	0.0	-66.13	386.07	4.53	-61.60
C[N@H+]1CCCCC1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029223147	1	52	0.0	-79.32	393.44	4.62	-74.70
CC1=C2C=C(C(=O)N3CC4CC(NC(=O)C5=CC(=O)[N-]O5)C4C3)C=CN2C=[NH+]1	REAL300029223181	1	47	0.0	-78.13	390.88	6.24	-71.89
CC(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+]1CC(C)C1	REAL300029223182	0	49	0.0	-64.05	381.49	3.46	-60.59
CC1CC[N@@H+]1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029223188	1	46	0.0	-70.09	358.43	2.78	-67.31
CC1CC[N@H+]1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029223188	1	46	0.0	-71.12	367.22	3.01	-68.11
C[NH+](C)CC=CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029223209	0	46	0.0	-76.47	371.74	3.02	-73.45
CC1(C)C[NH+](CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029223225	1	49	0.0	-72.05	387.18	3.44	-68.61
O=C(CCCC[NH+]1CCCCC1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029223239	0	58	0.0	-73.66	442.98	5.97	-67.69
CC1=C(C)[NH+]=C(CCC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)N1	REAL300029223254	1	50	0.0	-68.33	403.29	3.28	-65.05
C[NH+]1CCC(C2(C(=O)N3CC4CC(NC(=O)C5=CC(=O)[N-]O5)C4C3)CC2)CC1	REAL300029223268	0	56	0.0	-72.37	416.72	5.11	-67.26
CC1=C2C=C(C(=O)N3CC4CC(NC(=O)C5=CC(=O)[N-]O5)C4C3)C=CN2C=[NH+]1	REAL300029223278	1	47	0.0	-78.13	390.88	6.24	-71.89
C[NH+](C)CCSCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029223291	0	49	0.0	-79.38	399.91	3.96	-75.42
CC(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[N@H+](C)CC1=CC=CC=C1	REAL300029223312	0	55	0.0	-73.05	430.32	5.77	-67.28
CC(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[N@@H+](C)CC1=CC=CC=C1	REAL300029223312	1	55	0.0	-75.33	426.62	6.24	-69.09
NC1=[NH+]C2=C(C=C1C(=O)N1CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C1)CCCC2	REAL300029223316	1	52	0.0	-64.11	407.03	3.16	-60.95
O=C(C[N@H+]1CCCC1CO)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029223324	0	50	0.0	-71.09	389.52	0.37	-70.72
O=C(C[N@@H+]1CCCC1CO)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029223324	1	50	0.0	-73.01	384.35	0.48	-72.53
CC[NH+](CC)CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029223327	0	48	0.0	-70.79	369.00	3.33	-67.46
C[N@H+](CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C1CCSC1	REAL300029223340	0	50	0.0	-79.18	392.98	4.55	-74.63
C[N@@H+](CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C1CCSC1	REAL300029223340	1	50	0.0	-77.82	392.47	4.57	-73.25
O=C(C[NH+]1CCC1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029223342	1	43	0.0	-72.49	346.11	2.36	-70.13
CC[NH+](CC)CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029223408	0	51	0.0	-74.12	386.61	3.66	-70.46
NC(=O)C1CC[NH+](CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029223434	0	53	0.0	-85.67	413.62	0.47	-85.20
C[NH+](C)CC1=CNC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=C1	REAL300029223493	0	50	0.0	-81.05	394.74	3.73	-77.32
CC(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+]1CCC(O)CC1	REAL300029223519	0	53	0.0	-72.81	397.05	0.48	-72.33
O=C(NC1CC2CN(C(=O)C3CC4COCC[N@@H+]4C3)CC21)C1=CC(=O)[N-]O1	REAL300029223527	0	51	0.0	-75.30	387.78	2.13	-73.17
O=C(NC1CC2CN(C(=O)C3CC4COCC[N@H+]4C3)CC21)C1=CC(=O)[N-]O1	REAL300029223527	1	51	0.0	-71.86	390.47	2.00	-69.86
CC(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+]1CCC1	REAL300029223549	1	46	0.0	-70.02	364.51	2.71	-67.31
CCC(CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C[NH+](C)C	REAL300029223561	0	54	0.0	-75.03	404.04	4.49	-70.54
NC1=CC=C(C=CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C=[NH+]1	REAL300029223570	0	46	0.0	-76.04	382.49	2.14	-73.90
C[NH+](C)CC(C)(C)C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029223571	0	51	0.0	-72.64	376.18	2.99	-69.65
C[NH+](C)C(CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C1=CC=CC=C1	REAL300029223616	0	55	0.0	-67.64	423.54	5.84	-61.80
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029223654	0	49	0.0	-73.97	364.99	3.22	-70.75
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029223654	1	49	0.0	-68.17	376.83	3.36	-64.81
CC1CN2CC[N@@H+]1CC2C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029223671	0	52	0.0	-81.78	384.13	1.04	-80.74
CC1CN2CC[N@H+]1CC2C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029223671	1	52	0.0	-78.15	385.63	0.59	-77.56
C[NH+](C)CC(O)CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029223704	0	49	0.0	-78.48	385.63	1.06	-77.42
C[NH+]1C2CCC1CC(C(=O)N1CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C1)C2	REAL300029223707	0	53	0.0	-71.64	370.98	3.86	-67.78
C=CCC(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300029223761	0	49	0.0	-67.51	377.29	3.31	-64.20
O=C(NC1CC2CN(C(=O)C3CC4CCCC[N@@H+]4C3)CC21)C1=CC(=O)[N-]O1	REAL300029223776	0	53	0.0	-71.04	400.10	4.35	-66.69
O=C(NC1CC2CN(C(=O)C3CC4CCCC[N@H+]4C3)CC21)C1=CC(=O)[N-]O1	REAL300029223776	1	53	0.0	-70.90	400.18	4.35	-66.55
C[NH+]1CCC(C)(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029223793	0	52	0.0	-73.06	379.79	3.46	-69.60
C[NH+]1CCC(O)(CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029223799	0	53	0.0	-74.64	406.72	2.31	-72.33
COCC[N@@H+]1CCCC1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029223815	0	56	0.0	-61.66	423.18	3.89	-57.77
COCC[N@H+]1CCCC1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029223815	1	56	0.0	-77.25	426.25	3.55	-73.70
C[NH+]1C2CCC1CC(CC(=O)N1CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C1)C2	REAL300029223830	0	56	0.0	-76.49	398.70	4.47	-72.02
C[NH+](C)CCN1N=CC=C1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029223875	0	52	0.0	-70.10	413.06	3.25	-66.85
C[NH+]1CCC(C2(C(=O)NC3CC4CN(C(=O)C5=CC(=O)[N-]O5)CC43)CC2)CC1	REAL300029223924	0	56	0.0	-68.30	421.86	5.47	-62.83
CC1=C2C=C(C(=O)NC3CC4CN(C(=O)C5=CC(=O)[N-]O5)CC43)C=CN2C=[NH+]1	REAL300029223936	1	47	0.0	-77.33	385.89	5.75	-71.58
C[NH+](C)CCSCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029223948	0	49	0.0	-74.36	396.66	3.75	-70.61
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CC2COCC[N@@H+]2C1	REAL300029223960	0	51	0.0	-70.89	388.43	2.18	-68.71
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CC2COCC[N@H+]2C1	REAL300029223960	1	51	0.0	-78.11	392.04	2.11	-76.00
C[N@@H+]1CCCC1C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029224124	0	49	0.0	-66.42	386.01	3.10	-63.32
C[N@H+]1CCCC1C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029224124	1	49	0.0	-74.78	381.42	2.78	-72.00
C[N@@H+]1CCOC(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029224148	1	50	0.0	-82.32	397.68	2.61	-79.71
C[N@H+]1CCOC(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029224148	1	50	0.0	-89.52	399.03	2.68	-86.84
CC(C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCCC1	REAL300029224319	0	58	0.0	-66.97	430.34	4.55	-62.42
CC(C)[N@@H+]1CCCCC1C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029224321	0	58	0.0	-71.05	428.37	4.78	-66.27
CC(C)[N@H+]1CCCCC1C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029224321	1	58	0.0	-71.00	428.41	4.78	-66.22
CC(C)[N@@H+]1CCCC1C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029224342	0	55	0.0	-74.37	414.23	4.48	-69.89
CC(C)[N@H+]1CCCC1C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029224342	1	55	0.0	-66.00	419.24	4.28	-61.72
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@@H+]2C1	REAL300029224359	0	56	0.0	-78.75	428.85	4.96	-73.79
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@H+]2C1	REAL300029224359	1	56	0.0	-68.73	427.57	4.89	-63.84
CC(C)C1=[NH+]C=CN1CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029224381	1	53	0.0	-66.22	425.94	4.86	-61.36
CC1=[NH+]C=CN1CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029224415	1	47	0.0	-68.08	389.72	3.75	-64.33
CC(C[NH+]1CCOCC1)C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029224417	0	56	0.0	-76.65	432.49	2.90	-73.75
O=C(CCC[NH+]1CCCCC1)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029224434	0	58	0.0	-76.92	446.68	5.40	-71.52
CC(C)(C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCC1	REAL300029224453	0	58	0.0	-76.54	430.86	5.18	-71.36
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1C[NH+]2CCC1CC2	REAL300029224463	0	53	0.0	-82.51	402.62	3.94	-78.57
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCC2CCC[N@@H+]21	REAL300029224509	0	56	0.0	-69.47	426.08	5.04	-64.43
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCC2CCC[N@H+]21	REAL300029224509	1	56	0.0	-72.53	418.34	4.81	-67.72
C[C@@H]1[C@H](C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029224525	0	52	0.0	-78.20	398.85	3.45	-74.75
C[C@@H]1[C@H](C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029224525	1	52	0.0	-76.46	402.90	3.70	-72.76
CC[C@@H]1[C@@H](C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029224530	0	55	0.0	-78.07	417.87	3.92	-74.15
CC[C@@H]1[C@@H](C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029224530	1	55	0.0	-76.50	422.93	4.22	-72.28
CC[N@@H+]1CCOC(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029224545	1	53	0.0	-66.72	408.34	3.11	-63.61
CC[N@H+]1CCOC(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029224545	1	53	0.0	-80.38	409.47	3.16	-77.22
CC[NH+](CC)CC(F)C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029224591	0	54	0.0	-78.08	424.49	4.16	-73.92
CC1CCC(C)[NH+]1CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029224664	0	55	0.0	-72.22	418.50	4.08	-68.14
O=C(CCC[NH+]1CCCC1)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029224670	0	55	0.0	-76.58	431.01	4.70	-71.88
C[NH+](C)CC1=CC=CC(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029224671	0	55	0.0	-79.74	439.40	5.62	-74.12
C#CC[NH+]1CCC(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029224676	0	54	0.0	-76.38	429.55	4.95	-71.43
O=C(CC[NH+]1CCCCC1)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029224677	0	55	0.0	-76.84	425.01	4.60	-72.24
C[NH+](C)CC1=CC=CC=C1C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029224680	0	55	0.0	-55.85	432.09	5.86	-49.99
CC[N@@H+]1CCCCC1C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029224684	0	55	0.0	-71.45	421.20	4.46	-66.99
CC[N@H+]1CCCCC1C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029224684	1	55	0.0	-70.20	411.59	4.25	-65.95
C[NH+](C)C(C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300029224687	1	55	0.0	-74.24	436.76	5.67	-68.57
CC(C)C[N@@H+]1CCC(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029224704	0	58	0.0	-76.58	446.39	5.17	-71.41
CC(C)C[N@H+]1CCC(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029224704	1	58	0.0	-76.71	447.36	5.20	-71.51
C[NH+](C)C1(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CCC1	REAL300029224708	0	52	0.0	-79.37	395.43	3.30	-76.07
CC(C)[N@@H+]1CCCC1CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029224710	0	58	0.0	-74.67	443.68	4.85	-69.82
CC(C)[N@H+]1CCCC1CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029224710	1	58	0.0	-69.88	431.77	4.31	-65.57
CC(C)[C@@H](C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029224725	0	54	0.0	-71.45	407.49	4.67	-66.78
C[N@H+](CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300029224774	0	52	0.0	-68.30	406.39	4.12	-64.18
C[N@@H+](CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300029224774	1	52	0.0	-67.91	406.52	4.13	-63.78
CC(C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1C(C)CCC1C	REAL300029224838	0	58	0.0	-70.18	431.38	4.67	-65.51
CN(CCC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=[NH+]C=C1	REAL300029224894	0	54	0.0	-76.54	435.65	3.82	-72.72
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029224902	1	51	0.0	-73.78	408.12	3.96	-69.82
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029224902	1	51	0.0	-73.56	413.73	4.49	-69.07
C[N@@H+]1CCCC1CCC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029224908	0	55	0.0	-80.39	428.70	4.71	-75.68
C[N@H+]1CCCC1CCC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029224908	1	55	0.0	-75.02	423.42	4.24	-70.78
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[NH+](CCC1)C2	REAL300029224919	0	56	0.0	-75.78	418.64	4.35	-71.43
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC2CCCC[N@@H+]21	REAL300029224926	0	56	0.0	-71.62	429.35	5.15	-66.47
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC2CCCC[N@H+]21	REAL300029224926	1	56	0.0	-70.77	429.30	5.16	-65.61
O=C(CCCC[NH+]1CCCC1)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029224946	0	58	0.0	-78.77	452.51	5.48	-73.29
C[N@H+](CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300029224948	1	55	0.0	-80.81	438.12	5.79	-75.02
C[N@@H+](CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300029224948	1	55	0.0	-73.87	437.00	5.73	-68.14
C[NH+]1CCC(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029224959	0	52	0.0	-76.38	404.88	3.80	-72.58
C[NH+](C)CC1=CC(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)=NO1	REAL300029225000	1	51	0.0	-83.36	419.35	3.11	-80.25
CC1=C(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C=CC2=C[NH+]=CN21	REAL300029225001	0	50	0.0	-77.01	405.33	6.02	-70.99
C[N@@H+]1CCCCC1C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029225033	0	52	0.0	-73.84	394.10	3.63	-70.21
C[N@H+]1CCCCC1C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029225033	1	52	0.0	-68.64	402.23	3.74	-64.90
CC(C)C[N@@H+]1CCCC1C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029225056	0	58	0.0	-70.53	446.18	5.33	-65.20
CC(C)C[N@H+]1CCCC1C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029225056	1	58	0.0	-66.65	439.23	4.80	-61.85
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN2C=[NH+]C=C2C=C1	REAL300029225161	0	47	0.0	-77.73	391.37	5.65	-72.08
CC1=[NH+]C=CN1CCCC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029225170	1	53	0.0	-73.87	432.15	5.07	-68.80
C[NH+](C)CC1=CC=C(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C=C1	REAL300029225175	0	55	0.0	-84.89	439.60	5.69	-79.20
O=C(CC[NH+]1CCOCC1)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029225176	1	53	0.0	-78.71	416.45	2.18	-76.53
CC1=C[NH+]=CN1CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029225207	1	47	0.0	-75.49	391.48	4.58	-70.91
O=C(CN1C=[NH+]C2=C1CCCC2)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029225213	1	54	0.0	-67.80	431.88	6.21	-61.59
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[NH+]1CCC2	REAL300029225249	0	53	0.0	-72.07	404.87	4.13	-67.94
C[NH+](C)C1CCCC(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029225278	0	58	0.0	-70.51	434.34	4.86	-65.65
C[N@@H+]1CCC(CC(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029225281	0	52	0.0	-77.88	408.45	3.78	-74.10
C[N@H+]1CCC(CC(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029225281	1	52	0.0	-78.15	407.30	3.80	-74.35
CN(C)C1=CC=[NH+]C=C1C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029225293	0	51	0.0	-84.28	412.18	3.00	-81.28
CCC(C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029225298	0	51	0.0	-70.78	393.79	3.31	-67.47
C[NH+](C)C1(CC(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300029225312	0	58	0.0	-79.04	425.29	4.62	-74.42
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC2=C[NH+]=CN2C=C1	REAL300029225356	1	47	0.0	-85.48	391.64	5.67	-79.81
C[NH+](C)CCCCC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029225414	0	54	0.0	-78.13	426.83	4.34	-73.79
CC(C)C(C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029225434	0	54	0.0	-71.00	405.39	3.69	-67.31
CCC[N@H+](C)CCC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029225436	0	54	0.0	-78.10	423.06	4.16	-73.94
CCC[N@@H+](C)CCC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029225436	1	54	0.0	-78.17	423.06	4.16	-74.01
CCC[N@H+](C)CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029225442	0	51	0.0	-70.18	399.52	3.55	-66.63
CCC[N@@H+](C)CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029225442	1	51	0.0	-70.06	399.52	3.54	-66.52
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CC[N@H+](C1)CCC2	REAL300029225466	0	53	0.0	-77.91	402.97	3.44	-74.47
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CC[N@@H+](C1)CCC2	REAL300029225466	1	53	0.0	-77.01	403.68	3.42	-73.59
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029225506	0	49	0.0	-75.43	382.02	2.75	-72.68
C[N@H+]1CCC[C@@H]1C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029225506	1	49	0.0	-73.07	387.30	3.26	-69.81
CCCCCC[N@H+](C)CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029225566	0	60	0.0	-71.30	464.01	5.90	-65.40
CCCCCC[N@@H+](C)CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029225566	1	60	0.0	-71.18	464.02	5.89	-65.29
CC[NH+](CC)C(C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C(C)C	REAL300029225571	0	60	0.0	-65.52	435.18	5.45	-60.07
CC[NH+](CC)CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029225580	0	51	0.0	-74.36	393.05	3.28	-71.08
CCC[N@@H+]1CCCC(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029225612	0	58	0.0	-69.70	438.80	5.43	-64.27
CCC[N@H+]1CCCC(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029225612	1	58	0.0	-75.34	445.23	5.22	-70.12
CC(C)[N@@H+]1CCOC(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029225629	0	56	0.0	-84.10	433.40	3.83	-80.27
CC(C)[N@H+]1CCOC(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029225629	1	56	0.0	-78.88	426.17	3.65	-75.23
CC1CC[NH+](CC(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029225661	0	55	0.0	-76.85	425.00	4.68	-72.17
C[NH+]1CCC(OCC(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029225689	0	56	0.0	-85.94	441.13	4.26	-81.68
C[NH+](C)CC1(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029225703	0	52	0.0	-77.00	412.09	3.93	-73.07
CC1=[NH+]C=C2CCC(C(=O)NCC3CCC34CN(C(=O)C3=CC(=O)[N-]O3)C4)CN21	REAL300029225704	1	54	0.0	-66.25	427.92	4.88	-61.37
CC(C)[NH+]1CCC(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029225779	0	58	0.0	-73.48	439.19	4.99	-68.49
C[NH+]1CCC(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029225800	0	52	0.0	-76.38	404.88	3.80	-72.58
CC(C)[C@H](C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029225818	0	54	0.0	-70.67	409.74	4.39	-66.28
CCC(C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](CC)CC	REAL300029225849	0	57	0.0	-65.34	427.31	4.44	-60.90
CC[N@H+](C)CCC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029225911	0	51	0.0	-78.24	401.66	3.36	-74.88
CC[N@@H+](C)CCC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029225911	1	51	0.0	-77.41	401.56	3.42	-73.99
CC1CCC[N@@H+]1CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029225967	0	52	0.0	-72.96	400.76	3.59	-69.37
CC1CCC[N@H+]1CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029225967	1	52	0.0	-73.51	405.99	3.95	-69.56
CC1CC[N@H+](CC(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029225969	0	52	0.0	-75.64	406.67	3.88	-71.76
CC1CC[N@@H+](CC(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029225969	1	52	0.0	-69.20	405.64	3.84	-65.36
CC1=[NH+]C=C2CC(C(=O)NCC3CCC34CN(C(=O)C3=CC(=O)[N-]O3)C4)CCN21	REAL300029225971	1	54	0.0	-70.08	429.52	4.89	-65.19
CC1(C)CC[N@H+](CC(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029225974	0	55	0.0	-69.17	425.33	4.40	-64.77
CC1(C)CC[N@@H+](CC(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029225974	1	55	0.0	-75.97	427.61	4.46	-71.51
C[N@H+](CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300029225975	0	57	0.0	-69.93	429.92	4.63	-65.30
C[N@@H+](CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300029225975	1	57	0.0	-69.24	430.43	4.72	-64.52
CC[C@@H](C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029225984	0	51	0.0	-72.59	391.65	3.23	-69.36
C[NH+]1CCC(O)(CC(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029226163	0	56	0.0	-77.48	431.78	2.46	-75.02
C[NH+](C)CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226175	0	45	0.0	-72.66	361.18	2.16	-70.50
O=C(C[NH+]1CCC(CO)CC1)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226179	1	56	0.0	-78.10	435.83	1.37	-76.73
O=C(C[NH+]1CCCCCC1)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226181	0	55	0.0	-75.91	412.65	4.20	-71.71
CN1C=C[N+](CC(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029226185	0	47	0.0	-69.85	392.48	5.65	-64.20
C[N@@H+]1CCCC(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029226192	0	52	0.0	-69.84	399.80	4.03	-65.81
C[N@H+]1CCCC(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029226192	1	52	0.0	-69.22	399.79	4.02	-65.20
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@@H+]1C1CC1	REAL300029226197	0	53	0.0	-77.99	407.87	4.86	-73.13
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@H+]1C1CC1	REAL300029226197	1	53	0.0	-74.55	411.86	4.08	-70.47
CC(C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300029226226	1	49	0.0	-69.72	390.30	3.08	-66.64
CCC(CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300029226232	0	57	0.0	-77.63	432.49	4.68	-72.95
C[NH+](C)CC(C)(C)C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226239	0	54	0.0	-75.84	408.37	3.83	-72.01
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CC(C1)C[N@@H+]2C1CC1	REAL300029226257	0	54	0.0	-77.23	419.88	4.87	-72.36
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CC(C1)C[N@H+]2C1CC1	REAL300029226257	1	54	0.0	-79.05	419.43	5.53	-73.52
O=C(C[NH+]1CCC(O)CC1)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226268	1	53	0.0	-80.01	414.67	0.73	-79.28
C[N@H+](CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029226269	0	49	0.0	-68.79	390.51	3.55	-65.24
C[N@@H+](CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029226269	1	49	0.0	-74.27	390.97	3.55	-70.72
CC(C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)N1CC[NH+](C)CC1	REAL300029226270	1	57	0.0	-75.05	434.51	1.99	-73.06
C[NH+]1CC(CC(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029226289	0	49	0.0	-76.53	392.62	2.99	-73.54
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@@H+]1C1CCCC1	REAL300029226293	0	56	0.0	-75.98	434.16	5.10	-70.88
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@H+]1C1CCCC1	REAL300029226293	1	56	0.0	-76.15	432.35	5.03	-71.12
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226301	0	55	0.0	-73.16	404.79	3.74	-69.42
CC(C)(C)[N@H+]1CCC1C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226301	1	55	0.0	-73.41	406.83	3.38	-70.03
C[C@@H](C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029226312	0	48	0.0	-71.99	379.36	2.55	-69.44
CCC1CCC[N@H+](CC(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029226354	0	58	0.0	-76.75	436.00	5.27	-71.48
CCC1CCC[N@@H+](CC(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029226354	1	58	0.0	-76.64	442.67	5.36	-71.28
C[NH+](C)CC1=CC=C(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300029226362	0	53	0.0	-79.58	427.13	3.32	-76.26
[NH2+]=C1SC=CN1CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226407	0	45	0.0	-67.53	387.36	2.32	-65.21
C[N@H+](CCO)CCC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226417	0	52	0.0	-77.13	412.49	0.17	-76.96
C[N@@H+](CCO)CCC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226417	1	52	0.0	-76.65	411.87	0.20	-76.45
C[C@@H](C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029226418	0	48	0.0	-71.99	379.36	2.55	-69.44
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226422	0	52	0.0	-68.66	393.41	3.61	-65.05
C[N@H+]1CCCC[C@@H]1C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226422	1	52	0.0	-65.65	401.84	3.78	-61.87
CC1CN2CC[N@@H+]1CC2C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226431	0	55	0.0	-80.40	414.21	1.19	-79.21
CC1CN2CC[N@H+]1CC2C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226431	1	55	0.0	-82.07	414.12	1.19	-80.88
O=C(CC1=CC2=C[NH+]=CN2C=C1)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226477	0	50	0.0	-74.54	415.87	6.37	-68.17
C[N@H+](CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300029226502	0	53	0.0	-75.27	419.63	4.38	-70.89
C[N@@H+](CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300029226502	1	53	0.0	-78.65	420.58	4.37	-74.28
O=C(C[NH+]1CCC1)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226503	1	46	0.0	-73.08	371.34	2.57	-70.51
C[NH+](C)CC1=CC(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC=N1	REAL300029226533	1	54	0.0	-76.11	435.59	3.85	-72.26
C[N@@H+]1CCC(=CC(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029226535	0	50	0.0	-79.75	399.10	3.72	-76.03
C[N@H+]1CCC(=CC(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029226535	1	50	0.0	-79.46	400.46	3.77	-75.69
C[NH+](C)CCOCC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226569	0	52	0.0	-76.08	417.34	3.26	-72.82
CCCCC[N@H+](C)CCC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226575	0	60	0.0	-79.06	466.05	5.73	-73.33
CCCCC[N@@H+](C)CCC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226575	1	60	0.0	-79.18	466.63	5.69	-73.49
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029226584	0	56	0.0	-76.51	440.31	4.20	-72.31
C=CCC(C)(C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029226591	0	55	0.0	-64.59	416.55	4.21	-60.38
C[S+](C)CCC(O)C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226596	0	51	0.0	-87.24	426.03	1.82	-85.42
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226623	0	53	0.0	-84.89	409.18	0.56	-84.33
CN1CC[N@H+](C)CC(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029226635	0	57	0.0	-73.92	431.72	2.40	-71.52
CN1CC[N@@H+](C)CC(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029226635	1	57	0.0	-73.92	431.72	2.40	-71.52
CC(C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[N@@H+]1CCCC(O)C1	REAL300029226636	0	56	0.0	-74.39	430.40	1.34	-73.05
O=C(CN1CCC(CO)CC1)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226646	0	56	0.0	-78.10	435.83	1.37	-76.73
O=C(C[NH+]1CCC(CO)CC1)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226646	1	56	0.0	-78.10	435.83	1.37	-76.73
C[N@@H+]1CCCC(O)(CC(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029226655	0	56	0.0	-75.56	419.14	2.48	-73.08
C[N@H+]1CCCC(O)(CC(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029226655	1	56	0.0	-75.56	419.14	2.48	-73.08
CC1CN(CC(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029226658	0	49	0.0	-73.95	391.33	3.30	-70.65
CC1C[NH+](CC(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029226658	1	49	0.0	-73.95	391.33	3.30	-70.65
CN(CCO)CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226685	0	49	0.0	-70.14	388.37	-0.43	-70.57
C[N@H+](CCO)CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226685	1	49	0.0	-70.85	388.16	-0.43	-71.28
C[N@@H+](CCO)CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226685	1	49	0.0	-70.85	388.16	-0.43	-71.28
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1C[N@@H+]2CCN1CCC2	REAL300029226708	0	55	0.0	-88.24	408.11	2.00	-86.24
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1C[N@H+]2CCN1CCC2	REAL300029226708	1	55	0.0	-88.24	408.11	2.00	-86.24
CC[N@@H+]1CCCC(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029226714	0	55	0.0	-74.65	423.71	4.48	-70.17
CC[N@H+]1CCCC(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029226714	1	55	0.0	-74.65	423.71	4.48	-70.17
CC(CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300029226716	0	54	0.0	-77.34	418.76	4.21	-73.13
CC[N@H+](C)CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226729	0	48	0.0	-75.83	379.20	2.87	-72.96
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[N@@H+]1CCCC2	REAL300029226757	0	56	0.0	-65.69	414.65	4.71	-60.98
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[N@H+]1CCCC2	REAL300029226757	1	56	0.0	-65.69	414.65	4.71	-60.98
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[N@@H+]1CC=CC2	REAL300029226764	0	54	0.0	-79.90	407.35	5.11	-74.79
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[N@H+]1CC=CC2	REAL300029226764	1	54	0.0	-79.90	407.35	5.11	-74.79
CC[N@H+](CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029226785	0	52	0.0	-70.38	407.22	4.16	-66.22
CC[NH+](CC)CCC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226803	0	54	0.0	-76.37	419.41	4.12	-72.25
CC1(C)CN(CC(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029226828	0	52	0.0	-76.20	412.06	3.81	-72.39
CC1(C)C[NH+](CC(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029226828	1	52	0.0	-76.20	412.06	3.81	-72.39
CC1(O)CC[N@H+](CC(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029226856	0	53	0.0	-75.11	417.33	0.60	-74.51
CC1(O)CC[N@@H+](CC(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029226856	1	53	0.0	-69.56	416.26	0.56	-69.00
C[NH+](C)CC=CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226863	0	49	0.0	-81.66	397.14	3.38	-78.28
CC(OCC[NH+](C)C)C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226885	0	55	0.0	-70.82	436.84	3.91	-66.91
C[NH+](C)CCOCCC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226894	0	55	0.0	-75.95	438.29	3.01	-72.94
COCC[N@H+](C)CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226895	1	52	0.0	-70.88	410.41	1.97	-68.91
COCC[N@@H+](C)CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226895	1	52	0.0	-70.27	410.62	1.97	-68.30
C[NH+](C)C1(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300029226931	0	55	0.0	-72.12	411.41	4.35	-67.77
CC(CCC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029226934	0	54	0.0	-75.72	418.82	3.94	-71.78
CC[N@@H+]1CCC1C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226943	1	49	0.0	-74.22	386.02	2.86	-71.36
CC[N@H+]1CCC1C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226943	1	49	0.0	-75.15	393.10	3.23	-71.92
CC(C)[N@@H+]1CCCC(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029226953	0	58	0.0	-68.84	433.98	5.20	-63.64
CC(C)[N@H+]1CCCC(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029226953	1	58	0.0	-73.78	440.34	4.99	-68.79
O=C(C[N@H+]1CCCC1CO)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226966	0	53	0.0	-72.97	407.89	0.73	-72.24
O=C(C[N@@H+]1CCCC1CO)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226966	1	53	0.0	-69.14	409.91	0.20	-68.94
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@@H+]2C1	REAL300029226988	0	56	0.0	-78.75	428.85	4.96	-73.79
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@H+]2C1	REAL300029226988	1	56	0.0	-68.73	427.57	4.89	-63.84
C[NH+]1CCC(C)(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029226994	0	55	0.0	-71.17	418.50	4.22	-66.95
C[NH+](C)CC1=CNC(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029227000	0	53	0.0	-77.28	426.66	3.41	-73.87
CC(C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC(O)CC1	REAL300029227016	0	56	0.0	-71.99	431.13	1.06	-70.93
C=CCC(C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029227024	0	52	0.0	-71.47	407.79	3.82	-67.65
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227037	0	55	0.0	-72.66	427.25	4.43	-68.23
C[N@H+]1CC(C)(C)CC1C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227037	1	55	0.0	-73.54	423.01	4.24	-69.30
C[NH+](C)CCCCCC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227041	0	57	0.0	-77.44	448.33	5.12	-72.32
O=C(C[NH+]1CC2CC2C1)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227049	0	50	0.0	-76.54	397.04	4.12	-72.42
CC1C[N@@H+]2CCN1C(C(=O)NCC1CCC13CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029227076	0	55	0.0	-84.36	414.31	1.25	-83.11
CC1C[N@H+]2CCN1C(C(=O)NCC1CCC13CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029227076	1	55	0.0	-73.20	412.92	1.26	-71.94
CCCC(C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029227077	0	54	0.0	-71.22	415.29	4.05	-67.17
C[NH+](C)C(C)(C)C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227081	0	51	0.0	-80.95	388.41	3.34	-77.61
C[N@@H+]1CCCCC1C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227123	0	52	0.0	-73.84	394.10	3.63	-70.21
C[N@H+]1CCCCC1C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227123	1	52	0.0	-68.64	402.23	3.74	-64.90
C[N@H+]1CC=C(CC(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029227163	0	53	0.0	-71.51	419.44	4.47	-67.04
C[N@@H+]1CC=C(CC(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029227163	1	53	0.0	-70.08	419.46	4.46	-65.62
O=C(CC1([NH+]2CCCC2)CC1)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227172	0	56	0.0	-67.93	425.40	4.86	-63.07
C[NH+](C)CC1=CC=C(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029227221	1	52	0.0	-88.19	424.74	3.86	-84.33
C[NH+](C)CC1=CC=C(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C=N1	REAL300029227226	0	54	0.0	-81.58	435.44	3.83	-77.75
O=C(C=CC[NH+]1CCCC1)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227238	0	53	0.0	-80.37	423.48	4.58	-75.79
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[NH+](C2CC2)CC1	REAL300029227262	0	56	0.0	-78.78	431.13	5.11	-73.67
C[NH+](C)C1(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029227283	0	49	0.0	-74.67	388.82	3.51	-71.16
O=C(CC[NH+]1CCCC1)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227285	0	52	0.0	-76.96	410.37	3.92	-73.04
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1C[NH+]2CCN1CC2	REAL300029227323	0	52	0.0	-83.35	397.57	0.63	-82.72
C[N@@H+]1CC2CC1(C(=O)NCC1CCC13CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029227333	0	50	0.0	-73.14	392.55	3.31	-69.83
C[N@H+]1CC2CC1(C(=O)NCC1CCC13CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029227333	1	50	0.0	-81.40	391.51	3.57	-77.83
O=C(C[N@@H+]1CC2CCC1C2)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227347	0	53	0.0	-73.59	405.94	4.08	-69.51
O=C(C[N@H+]1CC2CCC1C2)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227347	1	53	0.0	-69.76	405.61	4.07	-65.69
O=C(C=C1C[NH+]2CCC1CC2)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227388	0	54	0.0	-68.79	416.42	4.55	-64.24
O=C(C[N@@H+]1CC2C=CC1C2)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227398	1	51	0.0	-68.08	399.64	4.12	-63.96
O=C(C[N@H+]1CC2C=CC1C2)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227398	1	51	0.0	-66.16	399.38	4.03	-62.13
CC[NH+]1CCN(CC(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029227430	0	57	0.0	-74.80	438.00	2.33	-72.47
CC(C[NH+](C)C)C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227450	0	51	0.0	-76.67	399.58	3.44	-73.23
C[N@@H+]1CCCCC1CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227528	0	55	0.0	-68.83	413.16	4.28	-64.55
C[N@H+]1CCCCC1CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227528	1	55	0.0	-69.80	413.22	4.25	-65.55
CC1=C2C=C(C(=O)NCC3CCC34CN(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300029227544	1	50	0.0	-84.06	413.55	6.23	-77.83
CC(C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CC(C)C1	REAL300029227545	1	52	0.0	-67.34	409.48	3.83	-63.51
CC1CC[N@@H+]1CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227548	1	49	0.0	-74.04	387.49	3.06	-70.98
CC1CC[N@H+]1CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227548	1	49	0.0	-74.97	392.90	3.30	-71.67
C[NH+](C)CC(O)CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227553	0	52	0.0	-80.70	413.95	1.24	-79.46
CC1C[N@H+](C)CC(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029227581	1	53	0.0	-87.75	420.01	3.41	-84.34
CC1C[N@@H+](C)CC(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029227581	1	53	0.0	-80.92	412.80	3.24	-77.68
O=C(CC[NH+]1CCC(O)CC1)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227590	0	56	0.0	-78.67	435.81	1.22	-77.45
CCC[N@@H+]1CCCCC1C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227592	0	58	0.0	-68.09	432.14	4.97	-63.12
CCC[N@H+]1CCCCC1C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227592	1	58	0.0	-73.39	433.22	5.04	-68.35
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029227671	0	52	0.0	-75.95	410.95	3.94	-72.01
CC(CC[NH+](C)C)C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227679	0	54	0.0	-77.53	421.22	4.05	-73.48
C[N@H+](CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300029227700	0	56	0.0	-66.31	430.78	1.54	-64.77
C[N@@H+](CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300029227700	1	56	0.0	-68.95	431.30	1.36	-67.59
C#CC[N@H+]1CCCCC1C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227709	1	54	0.0	-66.41	418.15	4.79	-61.62
C#CC[N@@H+]1CCCCC1C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227709	1	54	0.0	-74.05	419.43	4.78	-69.27
C[NH+]1CCN(CC(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029227712	1	54	0.0	-75.92	420.26	1.65	-74.27
CC[NH+]1CCN(CC(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029227721	0	57	0.0	-74.80	438.00	2.33	-72.47
NC(=[NH2+])SCC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227747	0	43	0.0	-78.23	370.00	-0.93	-79.16
CC[N@@H+]1CCOCC1CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227784	0	56	0.0	-81.13	429.60	2.68	-78.45
C[NH+](C)C1CCC(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029227800	0	58	0.0	-76.85	439.11	4.97	-71.88
C[NH+](C)CCC1(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029227801	0	55	0.0	-68.09	435.68	4.68	-63.41
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029227803	0	58	0.0	-71.49	433.91	4.92	-66.57
C[N@@H+]1CC=CCC1CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227804	0	53	0.0	-70.27	407.64	4.19	-66.08
C[N@H+]1CC=CCC1CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227804	1	53	0.0	-70.27	407.64	4.19	-66.08
C[C@@H](OCC[NH+](C)C)C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227827	0	55	0.0	-70.67	436.90	3.91	-66.76
C[NH+]1C2CCC1CC(C(=O)NCC1CCC13CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029227855	0	56	0.0	-77.31	404.11	4.70	-72.61
CC(C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCSCC1	REAL300029227965	1	53	0.0	-77.52	417.41	4.04	-73.48
CCC1C[NH+](CC(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029227967	1	52	0.0	-73.77	413.88	4.00	-69.77
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1([NH+]2CCCC2)CCC1	REAL300029227969	0	56	0.0	-68.22	423.39	4.87	-63.35
C[N@@H+]1CCC[C@H]1C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227978	0	49	0.0	-72.84	387.24	3.12	-69.72
C[N@H+]1CCC[C@H]1C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227978	1	49	0.0	-74.88	381.46	2.76	-72.12
O=C(CC[N@H+]1CCC(F)C1)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227985	0	52	0.0	-81.22	415.52	4.01	-77.21
O=C(CC[N@@H+]1CCC(F)C1)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227985	1	52	0.0	-81.90	416.05	4.01	-77.89
COC1C[N@H+](C)C(C)(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029227993	0	56	0.0	-81.02	431.01	2.89	-78.13
COC1C[N@@H+](C)C(C)(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029227993	1	56	0.0	-81.34	431.52	2.64	-78.70
O=C(CC[NH+]1CCCCCC1)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029228002	0	58	0.0	-78.91	436.06	4.81	-74.10
O=C(C[NH+]1CCCCC1)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029228004	0	52	0.0	-75.81	403.18	4.07	-71.74
CC1C(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029228014	0	52	0.0	-77.51	407.88	3.63	-73.88
CC1C(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029228014	1	52	0.0	-76.28	403.57	3.69	-72.59
C[N@@H+]1CCCCC1CCC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029228016	0	58	0.0	-75.36	442.38	5.12	-70.24
C[N@H+]1CCCCC1CCC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029228016	1	58	0.0	-80.64	435.27	4.93	-75.71
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@@H+]2CCOCC12	REAL300029228046	0	54	0.0	-80.88	421.01	2.50	-78.38
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@H+]2CCOCC12	REAL300029228046	1	54	0.0	-73.53	416.51	2.54	-70.99
CC1=[NH+]C=C2C=CC(C(=O)NCC3CCC34CN(C(=O)C3=CC(=O)[N-]O3)C4)=CN21	REAL300029228051	0	50	0.0	-73.44	413.05	5.47	-67.97
C[N@@H+]1CCOCC1CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029228068	1	53	0.0	-83.64	411.94	2.02	-81.62
C[N@H+]1CCOCC1CC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029228068	1	53	0.0	-82.25	412.09	2.02	-80.23
CC1=C(C)[NH+]=C(CCC(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300029228076	1	53	0.0	-70.90	431.42	3.45	-67.45
C[N@@H+]1CCCC1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029228248	0	49	0.0	-65.63	388.04	3.20	-62.43
C[N@H+]1CCCC1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029228248	1	49	0.0	-71.60	383.13	2.80	-68.80
C[N@@H+]1CCOC(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029228274	1	50	0.0	-78.57	398.18	2.65	-75.92
C[N@H+]1CCOC(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029228274	1	50	0.0	-78.63	398.56	2.62	-76.01
CC1=[NH+]C=CN1CCCC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029228436	1	53	0.0	-71.84	434.90	5.21	-66.63
C[NH+](C)CC1=CC=C(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300029228441	0	55	0.0	-77.31	435.95	5.35	-71.96
O=C(CC[NH+]1CCOCC1)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029228442	1	53	0.0	-77.71	419.19	2.32	-75.39
O=C(NCC1CCC12CN(C(=O)C13CCC[NH+]1CCC3)C2)C1=CC(=O)[N-]O1	REAL300029228467	0	53	0.0	-68.25	404.53	3.88	-64.37
O=C(NCC1CCC12CN(C(=O)C1=CC3=C[NH+]=CN3C=C1)C2)C1=CC(=O)[N-]O1	REAL300029228477	1	47	0.0	-75.16	389.33	5.38	-69.78
C[NH+](C)C1CCCC(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029228537	0	58	0.0	-75.71	441.68	5.03	-70.68
C[N@@H+]1CCC(CC(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029228540	0	52	0.0	-76.80	410.46	3.89	-72.91
C[N@H+]1CCC(CC(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029228540	1	52	0.0	-74.93	409.87	3.91	-71.02
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029228552	0	51	0.0	-74.58	412.39	2.50	-72.08
CCC(C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029228557	0	51	0.0	-69.97	393.57	3.30	-66.67
C[NH+](C)CCCCC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029228624	0	54	0.0	-75.84	428.81	4.44	-71.40
CC(C)C(C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029228646	0	54	0.0	-67.95	408.91	4.17	-63.78
CCC[N@H+](C)CCC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029228648	0	54	0.0	-71.57	424.90	4.29	-67.28
CCC[N@@H+](C)CCC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029228648	1	54	0.0	-75.83	425.52	4.29	-71.54
CCC[N@H+](C)CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029228654	0	51	0.0	-65.46	401.27	3.72	-61.74
CCC[N@@H+](C)CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029228654	1	51	0.0	-71.28	402.68	3.72	-67.56
O=C(NCC1CCC12CN(C(=O)C13CC[N@H+](C1)CCC3)C2)C1=CC(=O)[N-]O1	REAL300029228678	0	53	0.0	-73.91	399.53	3.21	-70.70
O=C(NCC1CCC12CN(C(=O)C13CC[N@@H+](C1)CCC3)C2)C1=CC(=O)[N-]O1	REAL300029228678	1	53	0.0	-74.75	399.31	3.28	-71.47
CCCCCC[N@H+](C)CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029228714	0	60	0.0	-72.46	467.17	6.05	-66.41
CCCCCC[N@@H+](C)CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029228714	1	60	0.0	-66.40	465.76	6.06	-60.34
CC[NH+](CC)C(C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300029228719	0	60	0.0	-61.73	437.07	5.09	-56.64
CC1CC[NH+](CC(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029228752	0	55	0.0	-72.79	426.51	4.78	-68.01
C[NH+]1CCC(OCC(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029228780	0	56	0.0	-76.66	443.23	4.46	-72.20
O=C(NCC1CCC12CN(C(=O)C1CC3CCCC[N@@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300029228825	0	56	0.0	-69.23	429.72	4.95	-64.28
O=C(NCC1CCC12CN(C(=O)C1CC3CCCC[N@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300029228825	1	56	0.0	-69.32	429.95	5.02	-64.30
C[NH+](C)CC1(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029228836	0	52	0.0	-76.54	412.25	3.95	-72.59
CC1=[NH+]C=C2CCC(C(=O)N3CC4(CCC4CNC(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300029228837	1	54	0.0	-62.09	426.98	4.79	-57.30
CC(C)[NH+]1CCC(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029228848	0	58	0.0	-74.90	435.37	4.71	-70.19
CC[N@H+](C)CCC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029228873	0	51	0.0	-73.59	402.00	3.53	-70.06
CC[N@@H+](C)CCC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029228873	1	51	0.0	-70.80	403.41	3.54	-67.26
CC(C)(C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029228899	0	58	0.0	-64.82	425.50	5.15	-59.67
O=C(NCC1CCC12CN(C(=O)C1C[NH+]3CCC1CC3)C2)C1=CC(=O)[N-]O1	REAL300029228909	0	53	0.0	-81.71	402.25	3.98	-77.73
C[NH+]1CCC(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029228989	0	52	0.0	-72.02	403.96	3.76	-68.26
CC(C)[C@H](C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029229007	0	54	0.0	-58.26	406.14	3.93	-54.33
CC[NH+](CC)CC(F)C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029229102	0	54	0.0	-73.39	419.90	3.89	-69.50
CC(C)C[N@@H+]1CCC(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029229137	0	58	0.0	-65.79	447.66	5.22	-60.57
CC(C)C[N@H+]1CCC(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029229137	1	58	0.0	-70.10	447.24	5.18	-64.92
C[NH+](C)C1(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300029229141	0	52	0.0	-70.31	392.19	3.53	-66.78
CCC(C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029229172	0	57	0.0	-64.70	427.73	4.53	-60.17
CC1CCC[N@@H+]1CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029229192	0	52	0.0	-65.10	402.12	3.63	-61.47
CC1CCC[N@H+]1CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029229192	1	52	0.0	-68.42	407.53	4.05	-64.37
CC(C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300029229262	0	58	0.0	-64.36	433.16	4.71	-59.65
CC(C)[N@@H+]1CCCCC1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029229264	0	58	0.0	-58.86	434.50	4.79	-54.07
CC(C)[N@H+]1CCCCC1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029229264	1	58	0.0	-61.63	435.00	4.81	-56.82
CC(C)[N@@H+]1CCCC1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029229285	0	55	0.0	-70.33	412.89	4.61	-65.72
CC(C)[N@H+]1CCCC1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029229285	1	55	0.0	-65.05	414.62	4.64	-60.41
CC(C)[N@@H+]1CCCC1CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029229291	0	58	0.0	-66.41	435.02	4.49	-61.92
CC(C)[N@H+]1CCCC1CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029229291	1	58	0.0	-63.40	432.70	4.37	-59.03
CC(C)[C@@H](C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029229306	0	54	0.0	-66.75	403.86	3.49	-63.26
CC1CC[N@H+](CC(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029229327	0	52	0.0	-67.56	409.46	4.04	-63.52
CC1CC[N@@H+](CC(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029229327	1	52	0.0	-67.44	409.54	4.05	-63.39
CC1=[NH+]C=C2CC(C(=O)N3CC4(CCC4CNC(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300029229329	1	54	0.0	-73.00	428.48	4.86	-68.14
CC1(C)CC[N@H+](CC(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029229332	0	55	0.0	-67.30	428.36	4.56	-62.74
CC1(C)CC[N@@H+](CC(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029229332	1	55	0.0	-70.48	429.03	4.55	-65.93
C[N@H+](CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029229333	0	57	0.0	-72.15	434.06	4.89	-67.26
C[N@@H+](CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029229333	1	57	0.0	-64.33	432.18	4.88	-59.45
CC[C@@H](C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029229342	0	51	0.0	-68.58	393.36	3.29	-65.29
CN(CCC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300029229469	0	54	0.0	-69.99	438.18	3.98	-66.01
CC1=[NH+]C=CN1CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029229553	1	47	0.0	-69.72	392.32	3.89	-65.83
CC(C[NH+]1CCOCC1)C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029229555	0	56	0.0	-75.91	432.86	2.81	-73.10
O=C(CCC[NH+]1CCCCC1)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029229572	0	58	0.0	-74.83	449.42	5.54	-69.29
C[NH+](C)CC1=CC(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300029229590	1	51	0.0	-80.13	419.51	3.31	-76.82
CC1=C(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300029229591	0	50	0.0	-74.58	415.48	6.04	-68.54
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029229626	1	53	0.0	-68.13	429.68	5.04	-63.09
O=C(NCC1CCC12CN(C(=O)C1CCCC3CCC[N@@H+]31)C2)C1=CC(=O)[N-]O1	REAL300029229662	0	56	0.0	-64.50	416.48	4.53	-59.97
O=C(NCC1CCC12CN(C(=O)C1CCCC3CCC[N@H+]31)C2)C1=CC(=O)[N-]O1	REAL300029229662	1	56	0.0	-64.76	425.48	4.93	-59.83
CC[N@@H+]1CCOC(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029229684	1	53	0.0	-76.59	415.95	3.29	-73.30
CC[N@H+]1CCOC(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029229684	1	53	0.0	-69.06	408.99	3.11	-65.95
O=C(NCC1CCC12CN(C(=O)C1=CN3C=[NH+]C=C3C=C1)C2)C1=CC(=O)[N-]O1	REAL300029229737	0	47	0.0	-68.60	388.98	5.33	-63.27
CC1=C[NH+]=CN1CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029229742	1	47	0.0	-72.31	392.63	4.61	-67.70
C[C@@H]1[C@H](C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029229758	0	52	0.0	-78.27	399.86	3.30	-74.97
C[C@@H]1[C@H](C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029229758	1	52	0.0	-72.27	403.51	3.89	-68.38
CC[C@@H]1[C@@H](C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029229763	0	55	0.0	-63.97	414.10	3.80	-60.17
CC[C@@H]1[C@@H](C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029229763	1	55	0.0	-72.57	420.90	4.39	-68.18
CC1CCC(C)[NH+]1CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029229776	0	55	0.0	-68.47	421.01	4.20	-64.27
O=C(CCC[NH+]1CCCC1)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029229782	0	55	0.0	-73.55	433.28	4.84	-68.71
C[NH+](C)CC1=CC=CC(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029229783	0	55	0.0	-71.92	437.18	5.31	-66.61
C#CC[NH+]1CCC(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029229789	0	54	0.0	-71.88	429.12	4.95	-66.93
O=C(CC[NH+]1CCCCC1)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029229790	0	55	0.0	-74.29	427.92	4.75	-69.54
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029229794	0	55	0.0	-59.00	429.48	5.64	-53.36
CC[N@@H+]1CCCCC1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029229798	0	55	0.0	-68.48	422.57	4.55	-63.93
CC[N@H+]1CCCCC1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029229798	1	55	0.0	-64.55	410.49	4.12	-60.43
C[NH+](C)C(C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029229801	1	55	0.0	-70.41	438.61	5.78	-64.63
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029229806	1	54	0.0	-65.70	434.38	6.37	-59.33
C[NH+](C)C1(CC(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029229842	0	58	0.0	-67.81	427.11	4.73	-63.08
C[N@H+](CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029230007	0	52	0.0	-63.80	408.26	4.29	-59.51
C[N@@H+](CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029230007	1	52	0.0	-66.26	408.90	4.27	-61.99
CC(C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300029230032	0	58	0.0	-71.47	430.30	5.20	-66.27
O=C(CCCC[NH+]1CCCC1)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029230045	0	58	0.0	-75.33	455.25	5.63	-69.70
C[N@H+](CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029230047	1	55	0.0	-77.01	440.59	5.90	-71.11
C[N@@H+](CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029230047	1	55	0.0	-75.56	440.16	5.89	-69.67
C[NH+]1CCC(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029230058	0	52	0.0	-72.02	403.96	3.76	-68.26
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029230103	0	49	0.0	-66.47	381.20	2.80	-63.67
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029230103	1	49	0.0	-69.37	388.82	3.20	-66.17
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029230127	1	51	0.0	-69.66	409.71	4.00	-65.66
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029230127	1	51	0.0	-63.26	408.91	4.35	-58.91
C[N@@H+]1CCCC1CCC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029230133	0	55	0.0	-77.13	429.57	4.76	-72.37
C[N@H+]1CCCC1CCC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029230133	1	55	0.0	-69.36	424.68	4.35	-65.01
O=C(NCC1CCC12CN(C(=O)C13CCC[NH+](CCC1)C3)C2)C1=CC(=O)[N-]O1	REAL300029230144	0	56	0.0	-73.04	412.66	4.05	-68.99
O=C(NCC1CCC12CN(C(=O)C1CCC3CCCC[N@@H+]31)C2)C1=CC(=O)[N-]O1	REAL300029230151	0	56	0.0	-64.37	423.96	4.75	-59.62
O=C(NCC1CCC12CN(C(=O)C1CCC3CCCC[N@H+]31)C2)C1=CC(=O)[N-]O1	REAL300029230151	1	56	0.0	-65.25	423.67	4.75	-60.50
CCC[N@@H+]1CCCC(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029230224	0	58	0.0	-66.56	438.32	5.32	-61.24
CCC[N@H+]1CCCC(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029230224	1	58	0.0	-69.20	442.63	5.06	-64.14
CC(C)[N@@H+]1CCOC(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029230241	0	56	0.0	-71.12	425.82	3.58	-67.54
CC(C)[N@H+]1CCOC(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029230241	1	56	0.0	-76.72	430.60	3.78	-72.94
C[N@@H+]1CCCCC1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029230272	0	52	0.0	-66.82	403.24	3.87	-62.95
C[N@H+]1CCCCC1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029230272	1	52	0.0	-57.91	404.57	3.84	-54.07
CC(C)C[N@@H+]1CCCC1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029230296	0	58	0.0	-65.26	443.64	5.28	-59.98
CC(C)C[N@H+]1CCCC1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029230296	1	58	0.0	-68.46	446.15	5.40	-63.06
O=C(C[NH+]1CCC(CO)CC1)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029230311	0	56	0.0	-73.74	437.34	1.47	-72.27
CC1C(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029230357	0	52	0.0	-71.14	405.20	3.82	-67.32
CC1C(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029230357	1	52	0.0	-72.59	405.23	3.70	-68.89
C[N@@H+]1CCCCC1CCC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029230359	0	58	0.0	-77.73	437.87	5.05	-72.68
C[N@H+]1CCCCC1CCC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029230359	1	58	0.0	-71.80	437.41	5.01	-66.79
NC1=[NH+]C2=C(C=C1C(=O)N1CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C1)CCC2	REAL300029230391	1	52	0.0	-57.95	417.17	3.10	-54.85
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029230455	0	55	0.0	-70.27	402.16	3.28	-66.99
CC(C)(C)[N@H+]1CCC1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029230455	1	55	0.0	-61.85	424.68	4.00	-57.85
C[C@@H](C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029230474	0	48	0.0	-70.60	380.87	2.68	-67.92
C[NH+](C)CC1=CC(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)=CC=N1	REAL300029230488	1	54	0.0	-73.04	433.42	3.53	-69.51
C=CCC(C)(C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029230492	0	55	0.0	-64.76	411.94	3.91	-60.85
O=C(CC[NH+]1CCCC1)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029230517	0	52	0.0	-74.55	412.25	4.03	-70.52
C[N@H+](CCO)CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029230527	1	49	0.0	-65.39	390.12	-0.26	-65.65
C[N@@H+](CCO)CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029230527	1	49	0.0	-73.10	391.76	-0.24	-73.34
O=C(NCC1CCC12CN(C(=O)C1C[N@@H+]3CCN1CCC3)C2)C1=CC(=O)[N-]O1	REAL300029230565	0	55	0.0	-79.60	406.20	1.84	-77.76
O=C(NCC1CCC12CN(C(=O)C1C[N@H+]3CCN1CCC3)C2)C1=CC(=O)[N-]O1	REAL300029230565	1	55	0.0	-76.85	411.37	1.59	-75.26
CC(C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300029230587	1	53	0.0	-73.26	416.46	4.00	-69.26
C[N@H+]1CC=C(CC(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029230627	0	53	0.0	-70.28	422.55	4.66	-65.62
C[N@@H+]1CC=C(CC(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029230627	1	53	0.0	-68.76	422.45	4.65	-64.11
C[S+](C)CCC(O)C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029230642	0	51	0.0	-81.47	423.93	1.78	-79.69
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029230661	0	53	0.0	-71.94	396.83	-0.22	-72.16
C[N@H+]1CC(O)CC1(C)C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029230661	1	53	0.0	-67.78	408.57	-0.09	-67.87
CN1CC[N@H+](C)CC(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029230674	0	57	0.0	-67.46	432.43	2.22	-65.24
CN1CC[N@@H+](C)CC(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029230674	1	57	0.0	-63.04	425.02	1.99	-61.05
CC(C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300029230675	0	56	0.0	-68.06	433.79	1.13	-66.93
CC(C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300029230675	1	56	0.0	-59.41	433.55	1.15	-58.26
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029230702	0	52	0.0	-58.43	419.33	3.15	-55.28
C[N@@H+]1CCCC(O)(CC(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029230708	0	56	0.0	-68.86	430.76	2.78	-66.08
C[N@H+]1CCCC(O)(CC(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029230708	1	56	0.0	-70.02	421.19	2.55	-67.47
CC1C[NH+](CC(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029230713	1	49	0.0	-72.19	393.53	3.45	-68.74
CC[N@@H+]1CCCC(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029230720	0	55	0.0	-63.49	423.03	4.34	-59.15
CC[N@H+]1CCCC(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029230720	1	55	0.0	-68.93	423.00	4.38	-64.55
NC1=[NH+]C=CC=C1CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029230726	0	48	0.0	-64.53	396.29	2.12	-62.41
O=C(NCC1CCC12CN(C(=O)C1CCC[N@@H+]1C1CC1)C2)C1=CC(=O)[N-]O1	REAL300029230739	0	53	0.0	-67.67	415.14	4.28	-63.39
O=C(NCC1CCC12CN(C(=O)C1CCC[N@H+]1C1CC1)C2)C1=CC(=O)[N-]O1	REAL300029230739	1	53	0.0	-66.84	414.89	4.64	-62.20
O=C(C=CC[NH+]1CCCC1)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029230782	0	53	0.0	-77.03	425.06	4.64	-72.39
O=C(NCC1CCC12CN(C(=O)C1CC[NH+](C3CC3)CC1)C2)C1=CC(=O)[N-]O1	REAL300029230805	0	56	0.0	-76.15	435.43	5.17	-70.98
CC[N@H+](C)CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029230852	0	48	0.0	-70.96	381.18	2.97	-67.99
CC[N@@H+](C)CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029230852	1	48	0.0	-64.96	379.77	2.97	-61.99
O=C(C[N@@H+]1CC2C=CC1C2)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029230912	1	51	0.0	-69.25	402.69	4.27	-64.98
O=C(C[N@H+]1CC2C=CC1C2)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029230912	1	51	0.0	-70.43	403.59	4.30	-66.13
CC1=CC=C(NCCC(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)[NH+]=C1	REAL300029230934	1	54	0.0	-66.13	442.18	3.73	-62.40
O=C(NCC1CCC12CN(C(=O)C1C[NH+]3CCN1CC3)C2)C1=CC(=O)[N-]O1	REAL300029230995	0	52	0.0	-81.39	396.38	0.56	-80.83
O=C(NCC1CCC12CN(C(=O)C13CCC[N@@H+]1CCCC3)C2)C1=CC(=O)[N-]O1	REAL300029231040	0	56	0.0	-64.36	411.92	4.54	-59.82
O=C(NCC1CCC12CN(C(=O)C13CCC[N@H+]1CCCC3)C2)C1=CC(=O)[N-]O1	REAL300029231040	1	56	0.0	-64.22	415.73	4.53	-59.69
O=C(NCC1CCC12CN(C(=O)C13CCC[N@@H+]1CC=CC3)C2)C1=CC(=O)[N-]O1	REAL300029231049	0	54	0.0	-60.53	407.38	4.19	-56.34
O=C(NCC1CCC12CN(C(=O)C13CCC[N@H+]1CC=CC3)C2)C1=CC(=O)[N-]O1	REAL300029231049	1	54	0.0	-66.61	408.88	4.27	-62.34
CC(OCC[NH+](C)C)C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029231060	0	55	0.0	-70.35	434.51	3.92	-66.43
C[NH+](C)CCOCCC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029231070	0	55	0.0	-73.80	440.27	3.12	-70.68
COCC[N@H+](C)CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029231072	1	52	0.0	-66.02	412.15	2.15	-63.87
COCC[N@@H+](C)CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029231072	1	52	0.0	-72.39	413.79	2.14	-70.25
O=C(NCC1CCC12CN(C(=O)C1C[NH+](C3CCOC3)C1)C2)C1=CC(=O)[N-]O1	REAL300029231073	0	54	0.0	-81.13	430.54	2.66	-78.47
CC(CCC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029231078	0	54	0.0	-72.69	420.81	4.06	-68.63
C[NH+]1CCC(=CC(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029231097	0	53	0.0	-69.52	416.55	4.53	-64.99
CC[N@H+](CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029231105	0	52	0.0	-68.78	412.52	4.33	-64.45
CC[N@@H+](CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029231105	1	52	0.0	-69.57	410.29	4.27	-65.30
CC1C[N@@H+]2CCN1C(C(=O)N1CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029231121	0	55	0.0	-70.25	400.72	2.34	-67.91
CC1C[N@H+]2CCN1C(C(=O)N1CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029231121	1	55	0.0	-81.75	415.36	1.22	-80.53
C[N@@H+]1CC2CC1(C(=O)N1CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029231146	0	50	0.0	-69.83	391.99	3.47	-66.36
C[N@H+]1CC2CC1(C(=O)N1CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029231146	1	50	0.0	-75.50	388.61	3.42	-72.08
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029231156	1	52	0.0	-74.00	428.74	2.96	-71.04
O=C(C[N@@H+]1CC2CCC1C2)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029231163	0	53	0.0	-59.81	407.23	4.18	-55.63
O=C(C[N@H+]1CC2CCC1C2)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029231163	1	53	0.0	-69.15	409.86	4.38	-64.77
CC(C[NH+](C)C)C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029231185	0	51	0.0	-74.17	399.21	3.34	-70.83
C[NH+](C)C1(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029231202	0	49	0.0	-74.18	387.54	3.22	-70.96
C[C@H](C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029231228	0	48	0.0	-69.41	381.57	2.70	-66.71
CC[N@@H+]1CCC1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029231237	1	49	0.0	-68.34	395.08	3.23	-65.11
CC[N@H+]1CCC1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029231237	1	49	0.0	-69.35	387.12	2.92	-66.43
CC(C)[N@@H+]1CCCC(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029231250	0	58	0.0	-67.72	440.02	4.86	-62.86
CC(C)[N@H+]1CCCC(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029231250	1	58	0.0	-67.66	439.55	4.89	-62.77
CCC(C)(C)[NH2+]C(C)C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029231265	0	57	0.0	-67.75	426.17	2.67	-65.08
C#CC[N@H+]1CCCCC1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029231309	1	54	0.0	-69.26	415.90	4.60	-64.66
C#CC[N@@H+]1CCCCC1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029231309	1	54	0.0	-68.42	430.01	5.07	-63.35
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029231310	1	51	0.0	-66.07	411.11	2.97	-63.10
NC1=CC=[NH+]C=C1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029231311	0	45	0.0	-73.40	369.80	0.33	-73.07
CCCC(C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029231320	0	54	0.0	-67.13	416.16	4.17	-62.96
C[NH+](C)C(C)(C)C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029231327	0	51	0.0	-69.95	386.78	3.45	-66.50
CC(CC[NH+](C)C)C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029231346	0	54	0.0	-74.61	420.82	3.96	-70.65
O=C(NCC1CCC12CN(C(=O)C13CC(C1)C[N@@H+]3C1CC1)C2)C1=CC(=O)[N-]O1	REAL300029231417	0	54	0.0	-63.89	417.15	4.46	-59.43
O=C(NCC1CCC12CN(C(=O)C13CC(C1)C[N@H+]3C1CC1)C2)C1=CC(=O)[N-]O1	REAL300029231417	1	54	0.0	-66.83	411.88	5.62	-61.21
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029231456	0	55	0.0	-68.00	428.64	4.40	-63.60
C[N@H+]1CC(C)(C)CC1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029231456	1	55	0.0	-68.08	426.33	4.40	-63.68
C[NH+](C)CCCCCC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029231461	0	57	0.0	-75.31	450.31	5.23	-70.08
O=C(CC[NH+]1CCC(O)CC1)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029231465	0	56	0.0	-77.83	439.02	1.40	-76.43
CCC[N@@H+]1CCCCC1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029231469	0	58	0.0	-63.96	444.51	5.23	-58.73
CCC[N@H+]1CCCCC1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029231469	1	58	0.0	-68.82	429.89	4.79	-64.03
C[NH+]1CCN(CC(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029231479	1	54	0.0	-73.49	422.47	1.79	-71.70
CC1C[N@H+](C)CC(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029231581	1	53	0.0	-75.49	411.84	3.18	-72.31
CC1C[N@@H+](C)CC(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029231581	1	53	0.0	-82.93	412.81	3.36	-79.57
CCC1CCC[N@H+](CC(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029231614	0	58	0.0	-67.45	436.80	4.98	-62.47
CCC1CCC[N@@H+](CC(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029231614	1	58	0.0	-71.37	436.13	5.34	-66.03
C[NH+](C)CC1=CC=C(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029231623	0	53	0.0	-80.03	425.51	3.66	-76.37
O=C(C[NH+]1CC2CC2C1)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029231638	0	50	0.0	-65.08	397.62	4.17	-60.91
O=C(CC1([NH+]2CCCC2)CC1)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029231651	0	56	0.0	-61.22	428.23	5.01	-56.21
C[N@@H+]1CCCCC1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029231690	0	52	0.0	-66.82	403.24	3.87	-62.95
C[N@H+]1CCCCC1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029231690	1	52	0.0	-57.91	404.57	3.84	-54.07
C[N@@H+]1CCC(=CC(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029231813	0	50	0.0	-77.63	402.65	3.83	-73.80
C[N@H+]1CCC(=CC(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029231813	1	50	0.0	-75.74	400.89	3.79	-71.95
O=C(CNC1=CC=[NH+]C=C1)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029231818	0	48	0.0	-69.70	399.03	1.58	-68.12
CC[NH+]1CCN(CC(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029231875	0	57	0.0	-72.27	439.70	2.43	-69.84
O=C(C=C1C[NH+]2CCC1CC2)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029231878	0	54	0.0	-67.55	419.54	4.70	-62.85
C[NH+](C)C1(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029231916	0	55	0.0	-64.27	400.40	3.87	-60.40
C[N@H+](CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029231927	0	56	0.0	-68.38	434.42	1.54	-66.84
C[N@@H+](CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029231927	1	56	0.0	-69.57	434.40	1.52	-68.05
CCC1C[NH+](CC(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029231933	1	52	0.0	-72.36	415.90	4.12	-68.24
O=C(NCC1CCC12CN(C(=O)C1([NH+]3CCCC3)CCC1)C2)C1=CC(=O)[N-]O1	REAL300029231937	0	56	0.0	-67.23	416.38	4.69	-62.54
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029231951	0	49	0.0	-65.37	386.13	3.10	-62.27
C[N@H+]1CCC[C@H]1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029231951	1	49	0.0	-72.00	382.59	2.82	-69.18
CC[N@@H+]1CCOCC1CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029231982	0	56	0.0	-73.03	425.87	2.57	-70.46
NC1=NC2=CC(C(=O)N3CC4(CCC4CNC(=O)C4=CC(=O)[N-]O4)C3)=CC=C2N1	REAL300029232072	0	49	0.0	-70.55	403.24	3.12	-67.43
NC1=[NH+]C2=CC(C(=O)N3CC4(CCC4CNC(=O)C4=CC(=O)[N-]O4)C3)=CC=C2N1	REAL300029232072	1	49	0.0	-70.55	403.24	3.12	-67.43
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029232110	0	52	0.0	-74.86	413.01	4.03	-70.83
C[NH+](C)C1CCC(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029232125	0	58	0.0	-68.62	431.65	4.75	-63.87
C[NH+](C)CCC1(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029232126	0	55	0.0	-76.85	437.57	4.73	-72.12
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029232128	0	58	0.0	-72.53	431.41	4.67	-67.86
C[N@@H+]1CC=CCC1CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029232129	0	53	0.0	-61.94	408.23	4.31	-57.63
C[N@H+]1CC=CCC1CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029232129	1	53	0.0	-61.94	408.23	4.31	-57.63
CC1=CC(C=CC(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)=CN=C1N	REAL300029232179	0	52	0.0	-77.23	428.93	3.25	-73.98
CC1=CC(C=CC(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)=C[NH+]=C1N	REAL300029232179	1	52	0.0	-77.23	428.93	3.25	-73.98
C[NH+](C)CCOCC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029232192	0	52	0.0	-72.60	419.32	3.40	-69.20
CCCCC[N@H+](C)CCC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029232198	0	60	0.0	-76.79	468.51	5.85	-70.94
CCCCC[N@@H+](C)CCC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029232198	1	60	0.0	-76.79	468.51	5.85	-70.94
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029232210	0	56	0.0	-71.33	440.13	4.25	-67.08
[NH2+]=C1SC=CN1CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029232235	0	45	0.0	-69.04	391.01	2.49	-66.55
C[C@@H](OCC[NH+](C)C)C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029232309	0	55	0.0	-61.38	436.56	3.91	-57.47
O=C(CC[NH+]1CCCCCC1)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029232353	0	58	0.0	-76.16	438.13	4.97	-71.19
O=C(C[NH+]1CCCCC1)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029232357	0	52	0.0	-70.62	403.62	4.16	-66.46
C[N@@H+]1CCCC(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029232359	0	52	0.0	-65.49	399.11	3.89	-61.60
C[N@H+]1CCCC(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029232359	1	52	0.0	-68.39	398.60	3.73	-64.66
O=C(C[NH+]1CCC(CO)CC1)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029232360	0	56	0.0	-73.74	437.34	1.47	-72.27
O=C(C[NH+]1CCCCCC1)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029232363	0	55	0.0	-67.23	414.28	4.35	-62.88
CN1C=C[N+](CC(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029232368	0	47	0.0	-70.63	395.16	5.82	-64.81
C[NH+](C)CC1=CC=C(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029232386	1	52	0.0	-72.20	425.71	4.03	-68.17
C[NH+](C)CC1=CC=C(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300029232392	0	54	0.0	-75.03	433.07	3.47	-71.56
O=C(C[NH+]1CCC(O)CC1)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029232406	1	53	0.0	-76.11	416.73	0.82	-75.29
C[N@@H+](CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029232411	1	49	0.0	-69.98	393.35	3.73	-66.25
CC(C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300029232413	1	57	0.0	-70.90	436.15	2.10	-68.80
O=C(CC[N@@H+]1CCC(F)C1)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029232416	1	52	0.0	-79.63	418.26	4.11	-75.52
COC1C[N@@H+](C)C(C)(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029232427	1	56	0.0	-59.93	422.56	1.92	-58.01
CC(CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029232447	0	54	0.0	-75.80	421.11	4.31	-71.49
O=C(NCC1CCC12CN(C(=O)C1CC[N@@H+]3CCOCC13)C2)C1=CC(=O)[N-]O1	REAL300029232463	0	54	0.0	-72.68	421.88	2.56	-70.12
O=C(NCC1CCC12CN(C(=O)C1CC[N@H+]3CCOCC13)C2)C1=CC(=O)[N-]O1	REAL300029232463	1	54	0.0	-73.98	419.74	2.49	-71.49
CC1=[NH+]C=C2C=CC(C(=O)N3CC4(CCC4CNC(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300029232468	0	50	0.0	-69.45	409.91	5.09	-64.36
CN1CCOCC1CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029232485	0	53	0.0	-79.90	414.53	2.12	-77.78
C[N@@H+]1CCOCC1CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029232485	1	53	0.0	-64.27	406.28	1.95	-62.32
C[N@H+]1CCOCC1CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029232485	1	53	0.0	-79.90	414.53	2.12	-77.78
CC[NH+]1CCN(CC(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029232493	0	57	0.0	-72.27	439.70	2.43	-69.84
CC1=CC(N)=[NH+]C=C1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029232548	1	48	0.0	-69.61	392.69	1.59	-68.02
NC1=CC=C(CCC(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300029232551	0	51	0.0	-73.17	422.94	2.81	-70.36
CC1(O)CC[N@@H+](CC(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029232592	1	53	0.0	-68.89	419.85	0.72	-68.17
C[NH+]1CC(CC(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029232627	0	49	0.0	-74.53	395.37	3.13	-71.40
O=C(NCC1CCC12CN(C(=O)C1CC[N@@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300029232632	0	56	0.0	-69.65	428.49	4.78	-64.87
O=C(NCC1CCC12CN(C(=O)C1CC[N@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300029232632	1	56	0.0	-66.75	428.25	4.72	-62.03
C[NH+](C)CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029232640	0	45	0.0	-71.90	363.45	2.30	-69.60
C[N@H+](CCO)CCC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029232669	0	52	0.0	-74.88	414.37	0.32	-74.56
C[N@@H+](CCO)CCC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029232669	1	52	0.0	-70.58	413.71	0.33	-70.25
C[C@@H](C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029232670	0	48	0.0	-70.60	380.87	2.68	-67.92
C[N@@H+]1CCCCC1CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029232692	0	55	0.0	-65.55	422.40	4.44	-61.11
C[N@H+]1CCCCC1CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029232692	1	55	0.0	-60.95	414.62	4.36	-56.59
CC1=C2C=C(C(=O)N3CC4(CCC4CNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029232714	1	50	0.0	-71.88	411.18	5.92	-65.96
CC(C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300029232715	0	52	0.0	-60.91	409.52	3.70	-57.21
CC1CCN1CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029232719	0	49	0.0	-70.34	393.52	3.35	-66.99
CC1CC[N@@H+]1CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029232719	1	49	0.0	-71.44	394.82	3.42	-68.02
CC1CC[N@H+]1CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029232719	1	49	0.0	-70.34	393.52	3.35	-66.99
C[NH+](C)CC=CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029232733	0	49	0.0	-74.81	399.02	3.50	-71.31
CC1(C)C[NH+](CC(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029232746	1	52	0.0	-63.02	413.54	3.85	-59.17
CC1=C(C)[NH+]=C(CCC(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029232765	1	53	0.0	-65.08	433.55	3.60	-61.48
CC1=C2C=C(C(=O)N3CC4(CCC4CNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029232776	1	50	0.0	-71.88	411.18	5.92	-65.96
C[NH+](C)CCSCC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029232786	0	52	0.0	-78.93	430.35	4.25	-74.68
O=C(C[N@@H+]1CCCC1CO)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029232812	1	53	0.0	-63.15	412.48	0.36	-62.79
CC[NH+](CC)CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029232816	0	51	0.0	-69.58	395.04	3.38	-66.20
C[N@@H+](CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029232827	1	53	0.0	-77.28	422.79	4.52	-72.76
O=C(C[NH+]1CCC1)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029232829	1	46	0.0	-68.85	373.64	2.77	-66.08
CC[NH+](CC)CCC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029232880	0	54	0.0	-73.02	421.40	4.24	-68.78
C[NH+](C)CC1=CNC(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029232947	0	53	0.0	-74.73	425.47	3.54	-71.19
CC(C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300029232966	0	56	0.0	-73.63	434.28	1.18	-72.45
O=C(NCC1CCC12CN(C(=O)C1CC3COCC[N@@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300029232972	0	54	0.0	-68.56	421.26	2.58	-65.98
O=C(NCC1CCC12CN(C(=O)C1CC3COCC[N@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300029232972	1	54	0.0	-70.17	420.36	2.62	-67.55
CC(C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029232987	1	49	0.0	-67.74	393.71	3.29	-64.45
CCC(CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029232994	0	57	0.0	-75.13	436.27	5.13	-70.00
NC1=CC=C(C=CC(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300029233001	0	49	0.0	-78.30	411.13	2.51	-75.79
C[NH+](C)CC(C)(C)C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029233002	0	54	0.0	-73.32	404.74	3.51	-69.81
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029233066	0	52	0.0	-64.50	388.01	3.30	-61.20
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029233066	1	52	0.0	-66.63	403.60	3.83	-62.80
CC1CN2CC[N@@H+]1CC2C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029233081	0	55	0.0	-79.68	413.55	1.07	-78.61
CC1CN2CC[N@H+]1CC2C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029233081	1	55	0.0	-73.07	413.27	1.01	-72.06
C[NH+](C)CC(O)CC(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029233102	0	52	0.0	-78.10	416.15	1.32	-76.78
C[NH+]1C2CCC1CC(C(=O)N1CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029233105	0	56	0.0	-72.27	401.19	4.50	-67.77
C=CCC(C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029233138	0	52	0.0	-69.66	406.97	3.80	-65.86
O=C(NCC1CCC12CN(C(=O)C1CC3CCCC[N@@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300029233148	0	56	0.0	-69.23	429.72	4.95	-64.28
O=C(NCC1CCC12CN(C(=O)C1CC3CCCC[N@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300029233148	1	56	0.0	-69.32	429.95	5.02	-64.30
C[NH+]1CCC(C)(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029233159	0	55	0.0	-72.94	414.74	3.92	-69.02
C[NH+]1CCC(O)(CC(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029233161	0	56	0.0	-60.84	430.76	2.70	-58.14
CC1=C2C=C(C(=O)NCC3CCC34CN(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300029233243	1	50	0.0	-84.06	413.55	6.23	-77.83
C[NH+](C)CCSCC(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029233252	0	52	0.0	-81.51	428.36	4.14	-77.37
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2COCC[N@@H+]2C1	REAL300029233260	0	54	0.0	-68.96	418.70	2.54	-66.42
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2COCC[N@H+]2C1	REAL300029233260	1	54	0.0	-78.68	420.15	2.52	-76.16
COCC1(CNC(=O)C2CCC[N@@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029233424	0	52	0.0	-62.66	388.92	3.76	-58.90
COCC1(CNC(=O)C2CCC[N@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029233424	1	52	0.0	-71.58	388.86	3.65	-67.93
COCC1(CNC(=O)C2C[N@H+](C)CCO2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029233448	1	53	0.0	-58.07	398.99	3.37	-54.70
COCC1(CNC(=O)C2C[N@@H+](C)CCO2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029233448	1	53	0.0	-57.35	399.27	3.36	-53.99
COCC1(CNC(=O)C2CCC[N@@H+]2C(C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029233596	0	58	0.0	-63.28	425.34	5.29	-57.99
COCC1(CNC(=O)C2CCC[N@H+]2C(C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029233596	1	58	0.0	-66.96	419.18	5.49	-61.47
COCC1(CNC(=O)CN2C=C[NH+]=C2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029233621	1	50	0.0	-66.86	396.49	4.71	-62.15
COCC1(CNC(=O)C2C[NH+]3CCC2CC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029233642	0	56	0.0	-81.08	409.89	4.91	-76.17
COCC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029233672	0	55	0.0	-67.26	403.00	4.09	-63.17
COCC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029233672	1	55	0.0	-67.97	410.98	4.48	-63.49
CC[C@@H]1[C@@H](C(=O)NCC2(COC)CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029233674	0	58	0.0	-67.00	423.28	4.86	-62.14
CC[C@@H]1[C@@H](C(=O)NCC2(COC)CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029233674	1	58	0.0	-66.07	427.90	5.22	-60.85
CC[N@@H+]1CCOC(C(=O)NCC2(COC)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029233679	1	56	0.0	-78.85	414.39	4.04	-74.81
CC[N@H+]1CCOC(C(=O)NCC2(COC)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029233679	1	56	0.0	-59.89	416.66	4.04	-55.85
COCC1(CNC(=O)C[NH+]2C(C)CCC2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029233729	0	58	0.0	-63.08	426.15	5.23	-57.85
COCC1(CNC(=O)CCC[NH+]2CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029233732	0	58	0.0	-70.60	437.06	5.67	-64.93
COCC1(CNC(=O)CC[NH+]2CCCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029233735	0	58	0.0	-69.08	431.24	5.56	-63.52
CC[N@@H+]1CCCCC1C(=O)NCC1(COC)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029233738	0	58	0.0	-66.88	419.20	5.30	-61.58
CC[N@H+]1CCCCC1C(=O)NCC1(COC)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029233738	1	58	0.0	-66.81	417.56	5.19	-61.62
COCC1(CNC(=O)C2([NH+](C)C)CCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029233748	0	55	0.0	-52.97	378.38	5.47	-47.50
COCC1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029233754	0	57	0.0	-46.19	400.89	5.67	-40.52
COCC1(CNC(=O)C[N@H+](C)C2CCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029233775	0	55	0.0	-66.49	415.13	5.06	-61.43
COCC1(CNC(=O)C[N@@H+](C)C2CCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029233775	1	55	0.0	-64.60	413.46	5.12	-59.48
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(COC)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029233833	1	54	0.0	-62.94	415.20	4.91	-58.03
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(COC)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029233833	1	54	0.0	-65.08	420.08	5.37	-59.71
COCC1(CNC(=O)CCC2CCC[N@@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029233838	0	58	0.0	-71.30	430.70	5.13	-66.17
COCC1(CNC(=O)CCC2CCC[N@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029233838	1	58	0.0	-73.61	434.61	5.62	-67.99
COCC1(CNC(=O)C2CC[NH+](C)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029233854	0	55	0.0	-70.58	411.82	4.79	-65.79
COCC1(CNC(=O)C2CCCC[N@@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029233885	0	55	0.0	-61.97	410.70	4.65	-57.32
COCC1(CNC(=O)C2CCCC[N@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029233885	1	55	0.0	-61.44	409.06	4.67	-56.77
COCC1(CNC(=O)C2=CN3C=[NH+]C=C3C=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029233938	0	50	0.0	-72.05	399.17	6.60	-65.45
COCC1(CNC(=O)CC[NH+]2CCOCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029233944	1	56	0.0	-72.41	422.51	3.14	-69.27
COCC1(CNC(=O)CN2C=[NH+]C=C2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029233957	1	50	0.0	-65.98	396.83	5.44	-60.54
COCC1(CNC(=O)C23CCC[NH+]2CCC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029233973	0	56	0.0	-73.63	413.30	5.08	-68.55
COCC1(CNC(=O)CC2CC[N@H+](C)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029233980	0	55	0.0	-75.02	414.54	4.67	-70.35
COCC1(CNC(=O)CC2CC[N@@H+](C)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029233980	1	55	0.0	-74.35	415.68	4.71	-69.64
CCC(C(=O)NCC1(COC)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029233987	0	54	0.0	-63.83	395.29	4.24	-59.59
COCC1(CNC(=O)C2=CC3=C[NH+]=CN3C=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234011	1	50	0.0	-75.37	396.62	6.62	-68.75
COCC1(CNC(=O)CCCC[NH+](C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234036	0	57	0.0	-73.60	432.60	5.28	-68.32
COCC1(CNC(=O)C(C(C)C)[NH+](C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234048	0	57	0.0	-62.89	413.69	5.17	-57.72
CCC[N@H+](C)CCC(=O)NCC1(COC)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234049	0	57	0.0	-71.26	430.60	5.04	-66.22
CCC[N@@H+](C)CCC(=O)NCC1(COC)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234049	1	57	0.0	-70.32	428.83	5.09	-65.23
CCC[N@H+](C)CC(=O)NCC1(COC)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234052	0	54	0.0	-67.61	408.24	4.48	-63.13
CCC[N@@H+](C)CC(=O)NCC1(COC)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234052	1	54	0.0	-67.27	406.46	4.55	-62.72
COCC1(CNC(=O)C23CC[N@H+](C2)CCC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234065	0	56	0.0	-80.13	410.56	4.34	-75.79
COCC1(CNC(=O)C23CC[N@@H+](C2)CCC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234065	1	56	0.0	-74.10	410.21	4.34	-69.76
COCC1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234089	0	52	0.0	-63.20	391.53	4.19	-59.01
COCC1(CNC(=O)[C@H]2CCC[N@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234089	1	52	0.0	-61.68	389.02	3.68	-58.00
CC[NH+](CC)CC(=O)NCC1(COC)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234118	0	54	0.0	-66.31	398.34	4.18	-62.13
COCC1(CNC(=O)C[NH+]2CCC(C)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234172	0	58	0.0	-67.33	430.21	5.62	-61.71
COCC1(CNC(=O)C2(C[NH+](C)C)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234192	0	55	0.0	-56.71	399.84	5.66	-51.05
COCC1(CNC(=O)C2CC[NH+](C)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234240	0	55	0.0	-70.58	411.82	4.79	-65.79
COCC1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234255	0	57	0.0	-60.06	407.32	5.31	-54.75
CCC(C(=O)NCC1(COC)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300029234283	0	60	0.0	-61.07	431.54	5.49	-55.58
CC[N@H+](C)CCC(=O)NCC1(COC)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234314	0	54	0.0	-70.11	407.33	4.35	-65.76
CC[N@@H+](C)CCC(=O)NCC1(COC)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234314	1	54	0.0	-69.75	409.11	4.42	-65.33
COCC1(CNC(=O)C[N@@H+]2CCCC2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234338	0	55	0.0	-65.52	414.33	4.86	-60.66
COCC1(CNC(=O)C[N@H+]2CCCC2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234338	1	55	0.0	-66.02	414.63	4.76	-61.26
COCC1(CNC(=O)C[N@@H+]2CCC(C)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234339	0	55	0.0	-66.74	414.38	4.87	-61.87
COCC1(CNC(=O)C[N@H+]2CCC(C)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234339	1	55	0.0	-67.25	414.26	4.81	-62.44
COCC1(CNC(=O)C[N@@H+]2CCC(C)(C)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234342	0	58	0.0	-68.29	434.08	5.31	-62.98
COCC1(CNC(=O)C[N@H+]2CCC(C)(C)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234342	1	58	0.0	-64.76	431.71	5.36	-59.40
COCC1(CNC(=O)C[N@H+](C)CC(C)(C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234343	0	60	0.0	-66.76	437.44	5.69	-61.07
COCC1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234343	1	60	0.0	-66.48	434.30	5.51	-60.97
CC[C@@H](C(=O)NCC1(COC)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029234350	0	54	0.0	-67.07	399.14	4.09	-62.98
COCC1(CNC(=O)C[NH+](C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234435	0	48	0.0	-67.92	367.24	3.13	-64.79
COCC1(CNC(=O)C[NH+]2CCCCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234438	0	58	0.0	-65.21	418.31	5.19	-60.02
COCC1(CNC(=O)C[N+]2=CN(C)C=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234441	0	50	0.0	-64.62	398.47	6.65	-57.97
COCC1(CNC(=O)C2CCC[N@H+](C)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234445	0	55	0.0	-66.07	405.02	4.95	-61.12
COCC1(CNC(=O)C2CCC[N@@H+](C)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234445	1	55	0.0	-65.42	404.29	4.98	-60.44
COCC1(CNC(=O)C2CCC[N@@H+]2C2CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234450	0	56	0.0	-59.11	419.11	5.22	-53.89
COCC1(CNC(=O)C2CCC[N@H+]2C2CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234450	1	56	0.0	-64.49	419.48	4.72	-59.77
COCC1(CNC(=O)C(C)[NH+]2CCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234462	1	52	0.0	-63.86	398.58	4.06	-59.80
CCC(CC(=O)NCC1(COC)CCCN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029234466	0	60	0.0	-63.35	441.99	5.73	-57.62
COCC1(CNC(=O)C(C)(C)C[NH+](C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234471	0	57	0.0	-70.25	417.52	4.85	-65.40
COCC1(CNC(=O)C[NH+]2CCC(O)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234482	1	56	0.0	-69.21	421.82	1.74	-67.47
COCC1(CNC(=O)C[N@H+](C)C2CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234483	0	52	0.0	-66.02	398.42	4.49	-61.53
COCC1(CNC(=O)C[N@@H+](C)C2CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234483	1	52	0.0	-64.22	396.50	4.54	-59.68
COCC1(CNC(=O)CC2C[NH+](C)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234497	0	52	0.0	-72.80	398.68	3.96	-68.84
COCC1(CNC(=O)C2CC[N@@H+]2C(C)(C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234507	0	58	0.0	-65.51	428.85	4.86	-60.65
COCC1(CNC(=O)C2CC[N@H+]2C(C)(C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234507	1	58	0.0	-66.64	430.65	4.90	-61.74
COCC1(CNC(=O)[C@H](C)[NH+](C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234518	0	51	0.0	-69.14	386.42	3.51	-65.63
COCC1(CNC(=O)CN2C=CSC2=[NH2+])CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234570	0	48	0.0	-61.71	394.31	3.32	-58.39
COCC1(CNC(=O)CC[N@H+](C)CCO)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234575	0	55	0.0	-68.97	417.69	1.13	-67.84
COCC1(CNC(=O)CC[N@@H+](C)CCO)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234575	1	55	0.0	-71.43	419.33	1.10	-70.33
COCC1(CNC(=O)[C@H](C)[NH+](C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234576	0	51	0.0	-69.14	386.42	3.51	-65.63
COCC1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234579	0	55	0.0	-67.36	408.58	4.79	-62.57
COCC1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234579	1	55	0.0	-66.14	401.36	4.40	-61.74
COCC1(CNC(=O)C=C2CC[N@H+](C)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234640	0	53	0.0	-75.76	407.57	4.64	-71.12
COCC1(CNC(=O)C=C2CC[N@@H+](C)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234640	1	53	0.0	-74.30	406.91	4.77	-69.53
COCC1(CNC(=O)COCC[NH+](C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234660	0	55	0.0	-68.81	423.03	4.19	-64.62
C=CCC(C)(C(=O)NCC1(COC)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029234672	0	58	0.0	-58.63	408.64	5.48	-53.15
COCC1(CNC(=O)C2(C)CC(O)C[N@@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234690	0	56	0.0	-77.46	417.35	1.32	-76.14
COCC1(CNC(=O)CN2CC(C)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234707	0	52	0.0	-67.92	400.27	4.21	-63.71
COCC1(CNC(=O)C[NH+]2CC(C)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234707	1	52	0.0	-67.92	400.27	4.21	-63.71
COCC1(CNC(=O)CN(C)CCO)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234725	0	52	0.0	-69.18	395.32	0.57	-68.61
COCC1(CNC(=O)C[N@H+](C)CCO)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234725	1	52	0.0	-66.55	394.95	0.55	-66.00
COCC1(CNC(=O)C[N@@H+](C)CCO)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234725	1	52	0.0	-66.55	394.95	0.55	-66.00
CC[N@@H+]1CCCC(C(=O)NCC2(COC)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029234744	0	58	0.0	-66.81	428.51	5.46	-61.35
CC[N@H+]1CCCC(C(=O)NCC2(COC)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029234744	1	58	0.0	-66.81	428.51	5.46	-61.35
COCC1(CNC(=O)CC(C)C[NH+](C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234746	0	57	0.0	-69.93	424.05	5.06	-64.87
CC[N@H+](C)CC(=O)NCC1(COC)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234750	0	51	0.0	-67.62	386.75	3.73	-63.89
CC[N@H+](CC(=O)NCC1(COC)CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029234777	0	55	0.0	-64.42	412.82	5.10	-59.32
CC[NH+](CC)CCC(=O)NCC1(COC)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234786	0	57	0.0	-69.23	424.72	5.02	-64.21
COCC1(CNC(=O)C[N@@H+]2CCC(C)(O)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234819	0	56	0.0	-66.26	425.41	1.52	-64.74
COCC1(CNC(=O)C=CC[NH+](C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234822	0	52	0.0	-75.51	403.20	4.35	-71.16
COCC1(CNC(=O)C(C)OCC[NH+](C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234830	0	58	0.0	-65.99	442.81	4.89	-61.10
COCC1(CNC(=O)CCOCC[NH+](C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234836	0	58	0.0	-72.74	443.98	3.94	-68.80
COCCN(C)CC(=O)NCC1(COC)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234837	0	55	0.0	-65.93	417.20	2.95	-62.98
COCC[N@H+](C)CC(=O)NCC1(COC)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234837	1	55	0.0	-69.17	417.57	2.97	-66.20
COCC[N@@H+](C)CC(=O)NCC1(COC)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234837	1	55	0.0	-69.17	417.57	2.97	-66.20
COCC1(CNC(=O)C2([NH+](C)C)CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234856	0	58	0.0	-66.26	405.47	6.05	-60.21
COCC1(CNC(=O)CCC(C)[NH+](C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234858	0	57	0.0	-71.31	424.25	4.83	-66.48
CC[N@@H+]1CCC1C(=O)NCC1(COC)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234864	1	52	0.0	-62.47	392.98	3.73	-58.74
CC[N@H+]1CCC1C(=O)NCC1(COC)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234864	1	52	0.0	-68.70	400.30	4.12	-64.58
COCC1(CNC(=O)C[N@@H+]2CCCC2CO)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234875	0	56	0.0	-66.64	422.19	1.75	-64.89
COCC1(CNC(=O)C[N@H+]2CCCC2CO)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234875	1	56	0.0	-67.37	423.51	1.63	-65.74
COCC1(CNC(=O)C2(C)CC[NH+](C)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234895	0	58	0.0	-77.20	425.95	5.15	-72.05
C=CCC(C(=O)NCC1(COC)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029234912	0	55	0.0	-63.62	410.06	4.59	-59.03
COCC1(CNC(=O)C2CC(C)(C)C[N@@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234919	0	58	0.0	-72.04	429.09	4.65	-67.39
COCC1(CNC(=O)C2CC(C)(C)C[N@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234919	1	58	0.0	-69.62	426.07	4.88	-64.74
COCC1(CNC(=O)CCCCC[NH+](C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234921	0	60	0.0	-73.99	454.10	6.05	-67.94
COCC1(CNC(=O)C[NH+]2CC3CC3C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234926	0	53	0.0	-67.31	404.34	4.95	-62.36
CCCC(C(=O)NCC1(COC)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029234939	0	57	0.0	-62.97	418.41	4.92	-58.05
COCC1(CNC(=O)C(C)(C)[NH+](C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234942	0	54	0.0	-63.22	394.69	4.30	-58.92
COCC1(CNC(=O)C2CCCC[N@@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234966	0	55	0.0	-61.97	410.70	4.65	-57.32
COCC1(CNC(=O)C2CCCC[N@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234966	1	55	0.0	-61.44	409.06	4.67	-56.77
COCC1(CNC(=O)CC2=CC[N@H+](C)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234987	0	56	0.0	-70.95	428.14	5.54	-65.41
COCC1(CNC(=O)CC2=CC[N@@H+](C)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234987	1	56	0.0	-69.58	428.19	5.54	-64.04
COCC1(CNC(=O)C=CC[NH+]2CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235019	0	56	0.0	-73.89	429.54	5.56	-68.33
COCC1(CNC(=O)C2([NH+](C)C)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235047	0	52	0.0	-54.40	373.17	5.34	-49.06
COCC1(CNC(=O)CC[NH+]2CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235048	0	55	0.0	-69.46	415.57	4.87	-64.59
COCC1(CNC(=O)C2C[NH+]3CCN2CC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235070	0	55	0.0	-81.17	405.35	1.64	-79.53
COCC1(CNC(=O)C23CC(C2)C[N@@H+]3C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235074	0	53	0.0	-56.14	372.75	4.91	-51.23
COCC1(CNC(=O)C23CC(C2)C[N@H+]3C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235074	1	53	0.0	-55.13	383.78	5.55	-49.58
COCC1(CNC(=O)C[N@@H+]2CC3CCC2C3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235079	0	56	0.0	-66.31	413.02	4.79	-61.52
COCC1(CNC(=O)C[N@H+]2CC3CCC2C3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235079	1	56	0.0	-66.23	415.41	5.17	-61.06
COCC1(CNC(=O)C[N@@H+]2CC3C=CC2C3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235117	1	54	0.0	-66.69	408.35	5.05	-61.64
COCC1(CNC(=O)C[N@H+]2CC3C=CC2C3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235117	1	54	0.0	-64.40	405.71	5.13	-59.27
COCC1(CNC(=O)C(C)C[NH+](C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235148	0	54	0.0	-60.26	405.15	4.47	-55.79
COCC1(CNC(=O)CC2CCCC[N@@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235189	0	58	0.0	-70.77	427.20	5.27	-65.50
COCC1(CNC(=O)CC2CCCC[N@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235189	1	58	0.0	-66.24	420.76	5.14	-61.10
COCC1(CNC(=O)C(C)[NH+]2CC(C)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235198	1	55	0.0	-65.87	416.43	4.83	-61.04
COCC1(CNC(=O)C[N@@H+]2CCC2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235200	1	52	0.0	-68.66	399.97	4.19	-64.47
COCC1(CNC(=O)C[N@H+]2CCC2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235200	1	52	0.0	-66.83	394.46	3.90	-62.93
COCC1(CNC(=O)CC(O)C[NH+](C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235202	0	55	0.0	-74.37	419.94	2.14	-72.23
COCC1(CNC(=O)C2C[N@H+](C)CC(C)O2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235221	1	56	0.0	-81.88	420.48	4.09	-77.79
COCC1(CNC(=O)C2C[N@@H+](C)CC(C)O2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235221	1	56	0.0	-73.64	427.27	4.27	-69.37
COCC1(CNC(=O)[C@H]2C[C@H]([NH+](C)C)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235260	0	55	0.0	-64.91	415.92	4.86	-60.05
COCC1(CNC(=O)C(C)CC[NH+](C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235264	0	57	0.0	-71.53	426.91	5.03	-66.50
COCC1(CNC(=O)CN2CC[NH+](C)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235280	1	57	0.0	-72.98	428.14	2.63	-70.35
COCC1(CNC(=O)CSC(N)=[NH2+])CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235301	0	46	0.0	-69.62	375.16	0.09	-69.53
COCC1(CNC(=O)C2(CC[NH+](C)C)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235325	0	58	0.0	-76.82	426.14	6.14	-70.68
COCC1(CNC(=O)CC2CC=CC[N@@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235326	0	56	0.0	-74.33	420.19	5.12	-69.21
COCC1(CNC(=O)CC2CC=CC[N@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235326	1	56	0.0	-72.72	419.88	5.01	-67.71
COCC1(CNC(=O)[C@@H](C)OCC[NH+](C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235336	0	58	0.0	-64.79	442.11	4.86	-59.93
CCC1CN(CC(=O)NCC2(COC)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029235411	0	55	0.0	-67.11	419.11	4.98	-62.13
CCC1C[NH+](CC(=O)NCC2(COC)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029235411	1	55	0.0	-67.11	419.11	4.98	-62.13
COCC1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235416	0	52	0.0	-67.60	394.45	4.15	-63.45
COCC1(CNC(=O)CC[N@@H+]2CCC(F)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235422	0	55	0.0	-74.95	423.32	4.91	-70.04
COCC1(CNC(=O)C2CC[N@H+](C)C2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235441	0	55	0.0	-64.18	407.54	4.30	-59.88
COCC1(CNC(=O)C2CC[N@@H+](C)C2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235441	1	55	0.0	-64.18	407.54	4.30	-59.88
COCC1(CNC(=O)CC2COCCN2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235470	0	56	0.0	-70.43	411.78	2.76	-67.67
COCC1(CNC(=O)CC2COCC[N@@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235470	1	56	0.0	-76.69	418.84	2.91	-73.78
COCC1(CNC(=O)CC2COCC[N@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235470	1	56	0.0	-76.69	418.84	2.91	-73.78
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCC[N@@H+]1C	REAL300029235638	0	52	0.0	-62.08	392.28	2.25	-59.83
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCN1CCOCC1	REAL300029235812	0	56	0.0	-71.83	430.56	1.92	-69.91
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC[NH+]1CCOCC1	REAL300029235812	1	56	0.0	-71.83	430.56	1.92	-69.91
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC2=CN=CN2C=C1	REAL300029235821	0	50	0.0	-78.94	393.22	6.84	-72.10
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300029235821	1	50	0.0	-78.94	393.22	6.84	-72.10
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1CC[N@H+](C)C1	REAL300029235842	0	55	0.0	-67.21	420.20	3.39	-63.82
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1CC[N@@H+](C)C1	REAL300029235842	1	55	0.0	-67.21	420.20	3.39	-63.82
CCC(C(=O)N1CCCC1(CNC(=O)C1=CC(=O)[N-]O1)COC)[NH+](C)C	REAL300029235849	0	54	0.0	-65.62	401.53	2.66	-62.96
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCCC[NH+](C)C	REAL300029235880	0	57	0.0	-70.45	440.65	4.05	-66.40
CCC[N@H+](C)CCC(=O)N1CCCC1(CNC(=O)C1=CC(=O)[N-]O1)COC	REAL300029235893	0	57	0.0	-68.16	435.02	3.75	-64.41
CCC[N@@H+](C)CCC(=O)N1CCCC1(CNC(=O)C1=CC(=O)[N-]O1)COC	REAL300029235893	1	57	0.0	-69.11	435.88	3.69	-65.42
CCC[N@H+](C)CC(=O)N1CCCC1(CNC(=O)C1=CC(=O)[N-]O1)COC	REAL300029235895	0	54	0.0	-65.38	412.65	3.18	-62.20
CCC[N@@H+](C)CC(=O)N1CCCC1(CNC(=O)C1=CC(=O)[N-]O1)COC	REAL300029235895	1	54	0.0	-66.10	413.53	3.12	-62.98
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C12CC[N@H+](C1)CCC2	REAL300029235905	0	56	0.0	-70.12	407.56	2.70	-67.42
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300029235905	1	56	0.0	-72.70	405.44	3.13	-69.57
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[NH+]1CCC(C)CC1	REAL300029235931	0	58	0.0	-67.36	437.67	4.31	-63.05
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1(C[NH+](C)C)CC1	REAL300029235960	0	55	0.0	-75.49	421.28	3.21	-72.28
CC[N@H+](C)CCC(=O)N1CCCC1(CNC(=O)C1=CC(=O)[N-]O1)COC	REAL300029235975	0	54	0.0	-67.48	413.52	3.00	-64.48
CC[N@@H+](C)CCC(=O)N1CCCC1(CNC(=O)C1=CC(=O)[N-]O1)COC	REAL300029235975	1	54	0.0	-68.19	413.62	3.01	-65.18
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1C[NH+]2CCC1CC2	REAL300029235986	0	56	0.0	-65.79	412.86	3.29	-62.50
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[NH+](C)CC1	REAL300029236019	0	55	0.0	-73.23	419.05	3.27	-69.96
CCC(C(=O)N1CCCC1(CNC(=O)C1=CC(=O)[N-]O1)COC)[NH+](CC)CC	REAL300029236098	0	60	0.0	-62.09	433.55	3.68	-58.41
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@@H+]1CCCC1C	REAL300029236106	0	55	0.0	-63.02	418.56	3.55	-59.47
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@H+]1CCCC1C	REAL300029236106	1	55	0.0	-62.58	413.03	3.07	-59.51
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCC[N@@H+]1C(C)C	REAL300029236140	0	58	0.0	-66.95	420.89	3.87	-63.08
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCC[N@H+]1C(C)C	REAL300029236140	1	58	0.0	-67.23	418.06	3.75	-63.48
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@@H+]1CCC(C)C1	REAL300029236157	0	55	0.0	-65.94	419.43	3.51	-62.43
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@H+]1CCC(C)C1	REAL300029236157	1	55	0.0	-64.51	419.72	3.45	-61.06
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300029236159	0	58	0.0	-65.46	438.39	4.03	-61.43
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@H+]1CCC(C)(C)C1	REAL300029236159	1	58	0.0	-65.13	439.39	3.97	-61.16
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@H+](C)CC(C)(C)C	REAL300029236160	0	60	0.0	-65.22	444.17	4.24	-60.98
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@@H+](C)CC(C)(C)C	REAL300029236160	1	60	0.0	-66.49	443.92	4.18	-62.31
CC[C@@H](C(=O)N1CCCC1(CNC(=O)C1=CC(=O)[N-]O1)COC)[NH+](C)C	REAL300029236166	0	54	0.0	-60.54	400.27	2.66	-57.88
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1C=C[NH+]=C1C	REAL300029236247	1	50	0.0	-60.68	402.83	3.39	-57.29
CC[N@@H+]1CCOC(C(=O)N2CCCC2(CNC(=O)C2=CC(=O)[N-]O2)COC)C1	REAL300029236290	1	56	0.0	-72.81	425.38	2.58	-70.23
CC[N@H+]1CCOC(C(=O)N2CCCC2(CNC(=O)C2=CC(=O)[N-]O2)COC)C1	REAL300029236290	1	56	0.0	-72.39	424.99	2.50	-69.89
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300029236307	0	50	0.0	-69.84	393.14	6.83	-63.01
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1C=[NH+]C=C1C	REAL300029236310	1	50	0.0	-67.33	402.14	4.07	-63.26
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300029236314	0	55	0.0	-68.48	409.07	2.65	-65.83
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300029236314	1	55	0.0	-67.56	415.58	2.99	-64.57
CC[C@@H]1[C@@H](C(=O)N2CCCC2(CNC(=O)C2=CC(=O)[N-]O2)COC)CC[N@@H+]1C	REAL300029236316	0	58	0.0	-66.14	428.21	3.27	-62.87
CC[C@@H]1[C@@H](C(=O)N2CCCC2(CNC(=O)C2=CC(=O)[N-]O2)COC)CC[N@H+]1C	REAL300029236316	1	58	0.0	-62.43	431.75	3.72	-58.71
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[NH+]1C(C)CCC1C	REAL300029236321	0	58	0.0	-62.05	431.19	3.77	-58.28
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCC[NH+]1CCCC1	REAL300029236324	0	58	0.0	-67.90	445.12	4.46	-63.44
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC[NH+]1CCCCC1	REAL300029236327	0	58	0.0	-68.14	439.30	4.35	-63.79
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@H+](C)C1CCC1	REAL300029236397	0	55	0.0	-63.60	420.49	3.70	-59.90
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@@H+](C)C1CCC1	REAL300029236397	1	55	0.0	-62.61	419.64	3.75	-58.86
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[NH+](C)CC1	REAL300029236420	0	55	0.0	-73.23	419.05	3.27	-69.96
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)[C@H]1CCC[N@@H+]1C	REAL300029236440	0	52	0.0	-63.52	397.16	2.69	-60.83
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)[C@H]1CCC[N@H+]1C	REAL300029236440	1	52	0.0	-69.16	392.90	2.21	-66.95
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCC1CCC[N@@H+]1C	REAL300029236458	0	58	0.0	-67.96	436.79	3.84	-64.12
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCC1CCC[N@H+]1C	REAL300029236458	1	58	0.0	-67.19	437.04	4.16	-63.03
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[N@H+](C)C1C	REAL300029236553	0	55	0.0	-62.27	417.01	3.09	-59.18
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[N@@H+](C)C1C	REAL300029236553	1	55	0.0	-68.49	413.86	3.64	-64.85
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300029236594	0	58	0.0	-64.15	434.74	3.47	-60.68
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[N@H+]1C(C)(C)C	REAL300029236594	1	58	0.0	-65.08	434.41	3.47	-61.61
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)[C@H](C)[NH+](C)C	REAL300029236608	0	51	0.0	-67.09	387.30	2.60	-64.49
C=CCC(C)(C(=O)N1CCCC1(CNC(=O)C1=CC(=O)[N-]O1)COC)[NH+](C)C	REAL300029236621	0	58	0.0	-59.79	417.03	3.80	-55.99
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC[NH+]1CCCC1	REAL300029236635	0	55	0.0	-68.46	423.62	3.65	-64.81
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@H+](C)CCO	REAL300029236644	1	52	0.0	-65.87	402.39	-0.87	-66.74
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@@H+](C)CCO	REAL300029236644	1	52	0.0	-66.59	401.52	-0.80	-67.39
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1=CC[N@H+](C)CC1	REAL300029236686	0	56	0.0	-66.86	434.21	4.21	-62.65
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1=CC[N@@H+](C)CC1	REAL300029236686	1	56	0.0	-64.83	433.53	4.05	-60.78
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[NH+]1CC(C)C1	REAL300029236725	1	52	0.0	-65.68	404.69	2.86	-62.82
CC[N@@H+]1CCCC(C(=O)N2CCCC2(CNC(=O)C2=CC(=O)[N-]O2)COC)C1	REAL300029236729	0	58	0.0	-61.15	427.21	4.02	-57.13
CC[N@H+]1CCCC(C(=O)N2CCCC2(CNC(=O)C2=CC(=O)[N-]O2)COC)C1	REAL300029236729	1	58	0.0	-59.03	423.47	4.59	-54.44
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1=CC=C[NH+]=C1N	REAL300029236733	0	51	0.0	-64.75	408.64	1.52	-63.23
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCC[N@@H+]1C1CC1	REAL300029236739	0	56	0.0	-62.40	426.55	4.10	-58.30
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCC[N@H+]1C1CC1	REAL300029236739	1	56	0.0	-61.39	425.06	3.92	-57.47
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C=CC[NH+]1CCCC1	REAL300029236756	0	56	0.0	-69.86	433.24	5.66	-64.20
CC[N@H+](C)CC(=O)N1CCCC1(CNC(=O)C1=CC(=O)[N-]O1)COC	REAL300029236788	0	51	0.0	-65.91	392.03	2.38	-63.53
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1CC2C=CC1C2	REAL300029236816	0	54	0.0	-64.62	413.10	3.56	-61.06
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@@H+]1CC2C=CC1C2	REAL300029236816	1	54	0.0	-63.34	414.41	3.83	-59.51
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@H+]1CC2C=CC1C2	REAL300029236816	1	54	0.0	-63.34	414.41	3.83	-59.51
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1C[NH+]2CCN1CC2	REAL300029236859	0	55	0.0	-79.62	407.55	-0.02	-79.64
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C(C)OCC[NH+](C)C	REAL300029236880	0	58	0.0	-68.25	445.41	3.25	-65.00
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCOCC[NH+](C)C	REAL300029236887	0	58	0.0	-70.16	451.59	2.65	-67.51
COCC[N@H+](C)CC(=O)N1CCCC1(CNC(=O)C1=CC(=O)[N-]O1)COC	REAL300029236889	1	55	0.0	-65.98	423.76	1.60	-64.38
COCC[N@@H+](C)CC(=O)N1CCCC1(CNC(=O)C1=CC(=O)[N-]O1)COC	REAL300029236889	1	55	0.0	-65.89	424.63	1.54	-64.35
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCC(C)[NH+](C)C	REAL300029236892	0	57	0.0	-67.07	431.85	3.62	-63.45
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C=C1CC[NH+](C)CC1	REAL300029236900	0	56	0.0	-63.52	422.05	5.37	-58.15
CC[N@H+](CC(=O)N1CCCC1(CNC(=O)C1=CC(=O)[N-]O1)COC)C1CC1	REAL300029236905	0	55	0.0	-62.68	423.89	3.89	-58.79
CC[N@@H+](CC(=O)N1CCCC1(CNC(=O)C1=CC(=O)[N-]O1)COC)C1CC1	REAL300029236905	1	55	0.0	-69.55	413.13	4.21	-65.34
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@@H+]1CC2CCC1C2	REAL300029236933	0	56	0.0	-64.88	420.92	3.81	-61.07
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@H+]1CC2CCC1C2	REAL300029236933	1	56	0.0	-62.36	418.65	3.60	-58.76
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C(C)C[NH+](C)C	REAL300029236946	0	54	0.0	-69.91	408.34	2.76	-67.15
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)[C@@H](C)[NH+](C)C	REAL300029236967	0	51	0.0	-65.57	389.32	2.07	-63.50
CC[N@@H+]1CCC1C(=O)N1CCCC1(CNC(=O)C1=CC(=O)[N-]O1)COC	REAL300029236971	1	52	0.0	-63.46	395.05	2.25	-61.21
CC[N@H+]1CCC1C(=O)N1CCCC1(CNC(=O)C1=CC(=O)[N-]O1)COC	REAL300029236971	1	52	0.0	-66.20	405.49	2.63	-63.57
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCC1(CNC(=O)C1=CC(=O)[N-]O1)COC	REAL300029236978	0	60	0.0	-67.46	435.82	2.93	-64.53
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=C[NH+]=CC=C1N	REAL300029237000	0	48	0.0	-74.41	374.57	1.72	-72.69
CCCC(C(=O)N1CCCC1(CNC(=O)C1=CC(=O)[N-]O1)COC)[NH+](C)C	REAL300029237007	0	57	0.0	-67.33	423.18	3.44	-63.89
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C(C)CC[NH+](C)C	REAL300029237022	0	57	0.0	-70.02	429.98	3.37	-66.65
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300029237067	0	58	0.0	-67.14	437.26	3.74	-63.40
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC(C)(C)C[N@H+]1C	REAL300029237067	1	58	0.0	-68.05	431.03	3.42	-64.63
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCCCC[NH+](C)C	REAL300029237069	0	60	0.0	-70.22	462.16	4.84	-65.38
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1CC[NH+](C)CC1	REAL300029237076	1	57	0.0	-65.05	432.54	1.27	-63.78
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1C[N@H+](C)CC(C)O1	REAL300029237117	1	56	0.0	-80.08	418.32	2.95	-77.13
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1C[N@@H+](C)CC(C)O1	REAL300029237117	1	56	0.0	-83.88	420.13	2.23	-81.65
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[NH+]1CC2CC2C1	REAL300029237143	0	53	0.0	-65.18	407.96	3.59	-61.59
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCCC[N@@H+]1C	REAL300029237158	0	55	0.0	-59.56	413.88	3.28	-56.28
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCCC[N@H+]1C	REAL300029237158	1	55	0.0	-67.51	403.13	2.78	-64.73
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C=C1CC[N@H+](C)C1	REAL300029237207	0	53	0.0	-67.12	409.81	4.74	-62.38
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C=C1CC[N@@H+](C)C1	REAL300029237207	1	53	0.0	-69.79	407.05	4.66	-65.13
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CNC1=CC=[NH+]C=C1	REAL300029237209	0	51	0.0	-68.04	411.01	1.16	-66.88
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)[C@@H]1CCC[N@@H+]1C	REAL300029237263	0	52	0.0	-69.62	392.99	2.30	-67.32
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)[C@@H]1CCC[N@H+]1C	REAL300029237263	1	52	0.0	-63.76	397.66	2.55	-61.21
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300029237333	0	55	0.0	-70.90	423.50	3.52	-67.38
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1CC=CC[N@@H+]1C	REAL300029237340	0	56	0.0	-63.49	420.52	3.74	-59.75
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1CC=CC[N@H+]1C	REAL300029237340	1	56	0.0	-72.06	425.88	3.80	-68.26
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)COCC[NH+](C)C	REAL300029237368	0	55	0.0	-63.81	428.02	3.92	-59.89
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1C=CSC1=[NH2+]	REAL300029237386	0	48	0.0	-60.09	400.53	1.96	-58.13
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)[C@@H](C)OCC[NH+](C)C	REAL300029237413	0	58	0.0	-60.23	444.23	3.20	-57.03
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCC[N@H+](C)C1	REAL300029237433	0	55	0.0	-62.73	407.52	3.29	-59.44
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCC[N@@H+](C)C1	REAL300029237433	1	55	0.0	-62.73	407.52	3.29	-59.44
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[NH+]1CCCCCC1	REAL300029237434	0	58	0.0	-64.42	425.61	3.76	-60.66
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N+]1=CN(C)C=C1	REAL300029237437	0	50	0.0	-62.55	406.56	5.38	-57.17
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1CCC(O)CC1	REAL300029237453	0	56	0.0	-71.69	427.91	0.34	-71.35
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[NH+]1CCC(O)CC1	REAL300029237453	1	56	0.0	-71.69	427.91	0.34	-71.35
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@H+](C)C1CC1	REAL300029237454	0	52	0.0	-62.16	402.70	3.17	-58.99
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC[N@@H+]1CCC(F)C1	REAL300029237457	0	55	0.0	-69.05	428.88	3.54	-65.51
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC(C)C[NH+](C)C	REAL300029237474	0	57	0.0	-75.73	432.05	3.88	-71.85
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1COCCN1C	REAL300029237493	0	56	0.0	-75.37	423.79	1.61	-73.76
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1COCC[N@@H+]1C	REAL300029237493	1	56	0.0	-57.84	417.48	1.41	-56.43
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1COCC[N@H+]1C	REAL300029237493	1	56	0.0	-57.84	417.48	1.41	-56.43
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN=C(N)C=C1C	REAL300029237519	0	51	0.0	-76.09	395.47	2.85	-73.24
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=C[NH+]=C(N)C=C1C	REAL300029237519	1	51	0.0	-76.09	395.47	2.85	-73.24
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300029237542	0	56	0.0	-64.57	430.22	0.10	-64.47
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1C[NH+](C)C1	REAL300029237564	0	52	0.0	-70.13	406.73	2.73	-67.40
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC[N@H+](C)CCO	REAL300029237587	0	55	0.0	-67.80	423.60	-0.23	-68.03
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC[N@@H+](C)CCO	REAL300029237587	1	55	0.0	-67.80	423.60	-0.23	-68.03
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1CCCC[N@@H+]1C	REAL300029237598	0	58	0.0	-70.87	433.82	3.93	-66.94
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1CCCC[N@H+]1C	REAL300029237598	1	58	0.0	-70.87	433.82	3.93	-66.94
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1CCC1C	REAL300029237609	0	52	0.0	-64.11	405.64	2.78	-61.33
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@@H+]1CCC1C	REAL300029237609	1	52	0.0	-64.48	399.20	2.59	-61.89
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@H+]1CCC1C	REAL300029237609	1	52	0.0	-64.48	399.20	2.59	-61.89
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C=CC[NH+](C)C	REAL300029237613	0	52	0.0	-71.62	408.16	4.50	-67.12
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1CC(C)(C)C1	REAL300029237618	0	55	0.0	-66.26	424.07	3.41	-62.85
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[NH+]1CC(C)(C)C1	REAL300029237618	1	55	0.0	-66.26	424.07	3.41	-62.85
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@@H+]1CCCC1CO	REAL300029237650	0	56	0.0	-65.00	426.48	0.29	-64.71
CC[NH+](CC)CC(=O)N1CCCC1(CNC(=O)C1=CC(=O)[N-]O1)COC	REAL300029237654	0	54	0.0	-64.59	410.54	3.13	-61.46
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1CCC1	REAL300029237663	0	49	0.0	-66.92	383.54	2.21	-64.71
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[NH+]1CCC1	REAL300029237663	1	49	0.0	-66.92	383.54	2.21	-64.71
CC[NH+](CC)CCC(=O)N1CCCC1(CNC(=O)C1=CC(=O)[N-]O1)COC	REAL300029237685	0	57	0.0	-67.98	428.70	3.51	-64.47
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C(C)N1CCC1	REAL300029237725	0	52	0.0	-71.94	390.42	2.45	-69.49
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C(C)[NH+]1CCC1	REAL300029237725	1	52	0.0	-71.94	390.42	2.45	-69.49
CCC(CC(=O)N1CCCC1(CNC(=O)C1=CC(=O)[N-]O1)COC)C[NH+](C)C	REAL300029237730	0	60	0.0	-58.70	450.03	4.43	-54.27
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)[C@H]1CCCC[N@@H+]1C	REAL300029237758	0	55	0.0	-67.98	403.43	3.54	-64.44
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC(O)C[NH+](C)C	REAL300029237776	0	55	0.0	-72.60	427.91	0.89	-71.71
C=CCC(C(=O)N1CCCC1(CNC(=O)C1=CC(=O)[N-]O1)COC)[NH+](C)C	REAL300029237797	0	55	0.0	-64.83	413.97	3.15	-61.68
CC1CN(C(=O)C2CCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029238001	0	45	0.0	-65.73	330.64	2.93	-62.80
CC1CN(C(=O)C2CCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029238001	1	45	0.0	-66.50	330.55	2.89	-63.61
CC1CN(C(=O)C2C[N@H+](C)CCO2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029238025	1	46	0.0	-67.71	341.87	2.63	-65.08
CC1CN(C(=O)C2C[N@@H+](C)CCO2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029238025	1	46	0.0	-69.53	341.62	2.63	-66.90
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029238227	1	52	0.0	-62.12	397.55	5.48	-56.64
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+]1CCCCCC1	REAL300029238235	0	54	0.0	-68.51	380.20	4.95	-63.56
CC(C)[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029238238	0	54	0.0	-61.59	388.54	5.10	-56.49
CC(C)[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029238238	1	54	0.0	-60.96	387.54	5.02	-55.94
CC(C)[N@@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029238274	0	51	0.0	-62.67	366.00	4.12	-58.55
CC(C)[N@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029238274	1	51	0.0	-62.39	374.33	4.45	-57.94
CC1CN(C(=O)C2CC3CCCC[N@@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029238304	0	52	0.0	-67.00	375.62	4.78	-62.22
CC1CN(C(=O)C2CC3CCCC[N@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029238304	1	52	0.0	-67.05	376.00	4.82	-62.23
CC(C)C1=[NH+]C=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029238344	1	49	0.0	-63.23	377.57	5.00	-58.23
CC1=[NH+]C=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029238406	1	43	0.0	-65.54	344.36	4.11	-61.43
CC(C[NH+]1CCOCC1)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029238408	0	52	0.0	-70.16	380.82	2.79	-67.37
CC1CN(C(=O)CCC[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029238431	0	54	0.0	-68.99	397.60	5.58	-63.41
CC1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029238472	0	54	0.0	-60.65	378.25	4.87	-55.78
CC1CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029238475	0	58	0.0	-68.37	415.28	6.06	-62.31
CC1CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029238475	1	58	0.0	-69.31	417.80	6.42	-62.89
CC1CN(C(=O)C2C[NH+]3CCC2CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029238493	0	49	0.0	-71.01	347.95	3.83	-67.18
CC1CN(C(=O)C2CCCC3CCC[N@@H+]32)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029238560	0	52	0.0	-63.40	363.95	4.31	-59.09
CC1CN(C(=O)C2CCCC3CCC[N@H+]32)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029238560	1	52	0.0	-63.55	368.39	4.86	-58.69
CC1CN(C(=O)C2=CN(CC[NH+](C)C)N=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029238563	0	51	0.0	-74.39	397.10	3.75	-70.64
CC1CN(C(=O)C2=NN(CC[NH+](C)C)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029238580	0	51	0.0	-83.89	393.53	4.09	-79.80
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC[N@@H+]1C	REAL300029238588	0	48	0.0	-71.25	346.62	3.39	-67.86
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC[N@H+]1C	REAL300029238588	1	48	0.0	-70.06	352.84	3.72	-66.34
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029238592	1	52	0.0	-62.49	398.04	5.56	-56.93
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC[N@@H+]1C	REAL300029238595	0	51	0.0	-69.05	364.67	3.79	-65.26
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC[N@H+]1C	REAL300029238595	1	51	0.0	-68.53	370.59	4.16	-64.37
CC[N@@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029238625	1	49	0.0	-66.53	359.71	3.26	-63.27
CC[N@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029238625	1	49	0.0	-67.33	359.98	3.41	-63.92
CC[NH+](CC)CC(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029238701	0	50	0.0	-66.59	372.54	4.20	-62.39
CC1CN(C(=O)C2=C(C[NH+](C)C)C=CS2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029238702	0	48	0.0	-63.45	387.29	5.27	-58.18
CC1CN(C(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029238756	1	52	0.0	-72.45	391.67	3.37	-69.08
CC1CN(C(=O)C2=NNC(C3CCC[N@H+]3C)=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029238756	1	52	0.0	-72.99	399.09	4.05	-68.94
CC1CCC(C)[NH+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029238831	0	51	0.0	-64.54	369.02	4.28	-60.26
CC1CN(C(=O)CCC[NH+]2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029238842	0	51	0.0	-68.75	381.20	4.81	-63.94
CC1CN(C(=O)C2=CC=CC(C[NH+](C)C)=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029238843	0	51	0.0	-70.33	389.92	5.55	-64.78
C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC1	REAL300029238853	0	50	0.0	-72.26	383.76	5.32	-66.94
CC1CN(C(=O)CC[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029238855	0	51	0.0	-69.75	380.24	5.15	-64.60
CC1CN(C(=O)C2=CC=CC=C2C[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029238859	0	51	0.0	-63.78	387.96	5.81	-57.97
CC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029238871	0	51	0.0	-64.67	366.14	4.47	-60.20
CC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029238871	1	51	0.0	-64.47	359.31	4.06	-60.41
CC(C)C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+]1CCCCC1	REAL300029238872	0	57	0.0	-62.03	393.48	5.49	-56.54
CC1CN(C(=O)C(C2=CC=CC=C2)[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029238876	1	51	0.0	-63.35	380.85	5.51	-57.84
CC(C)C[N@@H+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029238903	0	54	0.0	-68.68	395.87	5.30	-63.38
CC(C)C[N@H+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029238903	1	54	0.0	-68.26	392.72	5.07	-63.19
CC1CN(C(=O)C2([NH+](C)C)CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029238907	0	48	0.0	-65.80	339.25	3.38	-62.42
CC1CN(C(=O)C2CCC[N@@H+]2C2CCOCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029238910	0	56	0.0	-66.33	406.89	3.90	-62.43
CC1CN(C(=O)C2CCC[N@H+]2C2CCOCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029238910	1	56	0.0	-66.98	398.92	4.34	-62.64
CC1CN(C(=O)C(CN2C=CC=N2)[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029238912	1	51	0.0	-72.49	382.04	3.94	-68.55
CC(C)[N@@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029238919	0	54	0.0	-66.31	389.25	4.91	-61.40
CC(C)[N@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029238919	1	54	0.0	-62.12	384.83	4.74	-57.38
CC1CN(C(=O)C2CCC[N@@H+]2C2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029238920	0	55	0.0	-64.84	383.49	5.48	-59.36
CC1CN(C(=O)C2CCC[N@H+]2C2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029238920	1	55	0.0	-63.95	399.08	5.99	-57.96
CC(C)[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300029238950	0	50	0.0	-65.71	350.59	3.97	-61.74
CC1CN(C(=O)C[N@H+](C)C2CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029239023	0	48	0.0	-66.61	358.04	4.23	-62.38
CC1CN(C(=O)C[N@@H+](C)C2CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029239023	1	48	0.0	-67.15	362.13	4.50	-62.65
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+]1C(C)CCC1C	REAL300029239128	0	54	0.0	-62.59	369.84	4.04	-58.55
CC1CN(C(=O)CCN(C)C2=CC=[NH+]C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029239213	0	50	0.0	-64.73	386.39	3.96	-60.77
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029239227	1	47	0.0	-64.00	357.40	4.15	-59.85
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029239227	1	47	0.0	-65.33	364.94	4.79	-60.54
CC1CN(C(=O)CCC2CCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029239239	0	51	0.0	-68.29	378.25	4.72	-63.57
CC1CN(C(=O)CCC2CCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029239239	1	51	0.0	-70.43	383.40	5.08	-65.35
CC1CN(C(=O)C23CCC[NH+](CCC2)C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029239256	0	52	0.0	-69.83	363.07	4.18	-65.65
CC1CN(C(=O)C2CCC3CCCC[N@@H+]32)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029239264	0	52	0.0	-61.84	376.19	5.02	-56.82
CC1CN(C(=O)C2CCC3CCCC[N@H+]32)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029239264	1	52	0.0	-63.01	371.58	4.71	-58.30
CC1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029239276	0	55	0.0	-67.67	382.13	2.82	-64.85
CC[NH+](CC)CC1=CC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)O1	REAL300029239293	0	54	0.0	-65.62	412.22	5.77	-59.85
CC1CN(C(=O)CCCC[NH+]2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029239298	0	54	0.0	-68.62	403.24	5.62	-63.00
CC1CN(C(=O)C[N@H+](C)CC2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029239301	1	51	0.0	-73.11	392.67	6.13	-66.98
CC1CN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029239301	1	51	0.0	-73.18	392.61	6.12	-67.06
CC1CN(C(=O)C2CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029239319	0	48	0.0	-70.62	356.19	3.83	-66.79
CC1CN(C(=O)C2=NOC(C[NH+](C)C)=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029239392	1	47	0.0	-75.03	371.38	3.94	-71.09
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C=CC2=C[NH+]=CN21	REAL300029239394	0	46	0.0	-66.64	368.67	6.16	-60.48
CC1CN(C(=O)C2CCCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029239453	0	48	0.0	-66.65	345.29	3.57	-63.08
CC1CN(C(=O)C2CCCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029239453	1	48	0.0	-66.10	344.47	3.50	-62.60
CC(C)C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029239490	0	54	0.0	-63.72	396.22	5.42	-58.30
CC(C)C[N@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029239490	1	54	0.0	-64.78	383.67	5.47	-59.31
CC1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029239679	0	43	0.0	-67.97	346.78	5.69	-62.28
CC1=[NH+]C=CN1CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029239695	1	49	0.0	-65.81	382.88	5.21	-60.60
CC1CN(C(=O)CCCC[NH+]2CCOCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029239699	1	55	0.0	-72.37	414.50	4.31	-68.06
CC1CN(C(=O)C2=CC=C(C[NH+](C)C)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029239705	0	51	0.0	-72.32	389.39	5.43	-66.89
CC1CN(C(=O)CC[NH+]2CCOCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029239706	1	49	0.0	-72.47	367.18	2.32	-70.15
CC1CN(C(=O)C(C)(C2=CC=CC=C2)[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029239728	0	54	0.0	-62.97	385.08	5.34	-57.63
CCC[NH+](CCC)CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029239736	0	59	0.0	-69.50	438.58	6.84	-62.66
CC[N@H+](C)C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)C1=CC=CC=C1	REAL300029239737	0	54	0.0	-63.46	401.78	6.51	-56.95
CC[N@@H+](C)C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)C1=CC=CC=C1	REAL300029239737	1	54	0.0	-61.64	400.18	6.13	-55.51
CC1=C[NH+]=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029239764	1	43	0.0	-67.72	344.68	4.83	-62.89
CC1CN(C(=O)CN2C=[NH+]C3=C2CCCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029239778	1	50	0.0	-66.41	387.56	6.60	-59.81
CC1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029239826	0	57	0.0	-67.17	387.26	5.43	-61.74
CC1CN(C(=O)C2=CC=CC=C2CC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029239827	0	54	0.0	-65.60	406.18	6.36	-59.24
CC1CN(C(=O)CC[N@H+](C)C2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029239834	0	57	0.0	-70.75	414.42	6.19	-64.56
CC1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029239834	1	57	0.0	-70.76	414.42	6.19	-64.57
CC1CN(C(=O)C23CCC[NH+]2CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029239840	0	49	0.0	-62.16	348.33	3.59	-58.57
CC1CN(C(=O)C2CCCC([NH+](C)C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029239884	0	54	0.0	-72.93	387.96	4.92	-68.01
CC1CN(C(=O)CC2CC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029239891	0	48	0.0	-70.50	362.93	4.33	-66.17
CC1CN(C(=O)CC2CC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029239891	1	48	0.0	-70.26	362.80	4.15	-66.11
CC1CN(C(=O)C2=C[NH+]=CC=C2N(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029239905	0	47	0.0	-69.69	367.00	2.61	-67.08
CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300029239911	0	47	0.0	-66.29	339.90	3.32	-62.97
CC1CN(C(=O)CC2([NH+](C)C)CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029239936	0	54	0.0	-70.34	375.99	4.89	-65.45
CC1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029240015	1	43	0.0	-69.76	350.77	5.97	-63.79
CC1CN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029240064	1	46	0.0	-71.71	368.59	4.10	-67.61
CC1CN(C(=O)CCCC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029240100	0	50	0.0	-70.27	381.59	4.85	-65.42
CC(C)C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300029240125	0	50	0.0	-65.93	353.87	3.90	-62.03
CCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029240127	0	50	0.0	-70.44	373.70	4.30	-66.14
CCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029240127	1	50	0.0	-70.46	373.69	4.30	-66.16
CCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029240134	0	47	0.0	-68.75	351.15	3.67	-65.08
CCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029240134	1	47	0.0	-68.67	351.15	3.67	-65.00
CC1CN(C(=O)C23CC[N@H+](C2)CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029240167	0	49	0.0	-68.67	345.50	3.15	-65.52
CC1CN(C(=O)C23CC[N@@H+](C2)CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029240167	1	49	0.0	-79.43	341.06	3.19	-76.24
CC1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029240243	0	45	0.0	-64.77	335.37	3.29	-61.48
CC1CN(C(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029240243	1	45	0.0	-67.47	332.33	2.98	-64.49
CC1CC2CCC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C(C)C3)C[N@@H+]2C1	REAL300029240274	0	55	0.0	-71.42	397.25	5.51	-65.91
CC1CC2CCC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C(C)C3)C[N@H+]2C1	REAL300029240274	1	55	0.0	-62.09	391.11	5.69	-56.40
CCCCCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029240334	0	56	0.0	-69.95	415.64	6.01	-63.94
CCCCCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029240334	1	56	0.0	-70.37	419.68	6.30	-64.07
CC[NH+](CC)C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)C(C)C	REAL300029240346	0	56	0.0	-61.99	381.23	4.84	-57.15
CC[NH+](CC)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029240359	0	47	0.0	-67.01	346.82	3.64	-63.37
CCC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029240392	0	54	0.0	-66.86	390.40	5.71	-61.15
CCC[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029240392	1	54	0.0	-67.74	395.60	5.30	-62.44
CC1CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029240405	0	58	0.0	-62.62	401.19	5.87	-56.75
CC1CN(C(=O)C2CCCC[N@H+]2C2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029240405	1	58	0.0	-61.95	401.13	5.72	-56.23
CC(C)[N@@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029240418	1	52	0.0	-78.39	380.22	3.79	-74.60
CC(C)[N@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029240418	1	52	0.0	-65.60	372.21	3.52	-62.08
CC1CC[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC1	REAL300029240462	0	51	0.0	-68.62	374.67	4.77	-63.85
CC1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029240496	1	46	0.0	-74.00	368.31	3.37	-70.63
CC1CN(C(=O)COC2CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029240506	0	52	0.0	-72.68	391.87	4.43	-68.25
CC1CN(C(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029240526	0	48	0.0	-67.25	365.10	4.13	-63.12
CC1=[NH+]C=C2CCC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C(C)C3)CN21	REAL300029240527	1	50	0.0	-62.13	380.99	5.06	-57.07
CC(C)[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC1	REAL300029240639	0	54	0.0	-68.29	392.88	5.31	-62.98
CC1CN(C(=O)C2CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029240671	0	48	0.0	-70.62	356.19	3.83	-66.79
CC(C)[C@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300029240694	0	50	0.0	-64.92	358.77	4.07	-60.85
CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](CC)CC	REAL300029240734	0	53	0.0	-60.88	371.86	4.46	-56.42
CC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029240838	0	47	0.0	-69.72	352.19	3.55	-66.17
CC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029240838	1	47	0.0	-70.15	356.11	3.82	-66.33
CC1CCC[N@@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029240927	0	48	0.0	-65.43	354.98	4.04	-61.39
CC1CCC[N@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029240927	1	48	0.0	-65.49	357.39	4.08	-61.41
CC1CC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029240930	0	48	0.0	-68.04	361.29	4.24	-63.80
CC1CC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029240930	1	48	0.0	-67.74	357.94	3.97	-63.77
CC1CN(C(=O)C2(F)CC[N@@H+](C(C)(C)C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029240931	0	54	0.0	-62.76	388.32	4.40	-58.36
CC1CN(C(=O)C2(F)CC[N@H+](C(C)(C)C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029240931	1	54	0.0	-63.02	389.61	4.45	-58.57
CC1=[NH+]C=C2CC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C(C)C3)CCN21	REAL300029240933	1	50	0.0	-69.82	381.61	5.11	-64.71
CC1CN(C(=O)C2=CC=C(CC[NH+](C)C)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029240935	0	54	0.0	-72.95	411.89	6.27	-66.68
CC1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029240937	0	51	0.0	-67.47	376.98	4.52	-62.95
CC1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029240937	1	51	0.0	-67.64	377.63	4.54	-63.10
CC1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029240938	0	53	0.0	-68.01	382.16	4.82	-63.19
CC1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029240938	1	53	0.0	-68.43	379.05	4.66	-63.77
CC1CN(C(=O)C[N@H+](C)CCC2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029240939	0	54	0.0	-73.51	415.09	6.97	-66.54
CC1CN(C(=O)C[N@@H+](C)CCC2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029240939	1	54	0.0	-73.57	415.10	6.97	-66.60
CC[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300029240951	0	47	0.0	-66.71	343.81	3.55	-63.16
CC(COCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+]1CCCC1	REAL300029240959	0	55	0.0	-66.38	414.86	5.49	-60.89
CC1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241076	0	55	0.0	-77.66	404.55	6.04	-71.62
CC1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241139	0	55	0.0	-72.15	411.59	6.43	-65.72
CC1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241139	1	55	0.0	-75.01	414.58	6.46	-68.55
CC1CN(C(=O)CC2(O)CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241250	0	52	0.0	-70.15	382.39	2.61	-67.54
COCC[N@@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029241259	0	55	0.0	-61.76	406.61	4.50	-57.26
COCC[N@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029241259	1	55	0.0	-66.92	410.06	3.75	-63.17
CC1CN(C(=O)C[NH+]2CCC(CO)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241272	0	52	0.0	-70.57	389.42	1.71	-68.86
CC1CN(C(=O)C[NH+]2CCCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241276	0	51	0.0	-68.38	366.97	4.59	-63.79
CC1CN(C(=O)C[N+]2=CN(C)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241281	0	43	0.0	-66.67	347.47	6.18	-60.49
CC1CN(C(=O)C2CCC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241294	0	48	0.0	-66.73	346.91	3.94	-62.79
CC1CN(C(=O)C2CCC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241294	1	48	0.0	-68.34	352.38	4.11	-64.23
CC1CN(C(=O)C2CCC[N@@H+]2C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241299	0	49	0.0	-65.24	358.74	4.22	-61.02
CC1CN(C(=O)C2CCC[N@H+]2C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241299	1	49	0.0	-62.08	366.25	4.69	-57.39
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+]1CCC1	REAL300029241340	1	45	0.0	-70.73	330.45	2.91	-67.82
CCC(CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)C[NH+](C)C	REAL300029241352	0	53	0.0	-65.34	391.30	5.23	-60.11
CC1CN(C(=O)C(C)(C)C[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241361	0	50	0.0	-66.61	350.83	3.23	-63.38
CC1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241385	0	50	0.0	-61.30	369.36	4.59	-56.71
CC1CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241385	1	50	0.0	-61.64	365.37	5.60	-56.04
CC1CN(C(=O)C[NH+]2CCC(O)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241413	1	49	0.0	-72.63	364.75	0.78	-71.85
CC1CN(C(=O)C[N@H+](C)C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241415	0	45	0.0	-66.22	341.32	3.66	-62.56
CC1CN(C(=O)C[N@@H+](C)C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241415	1	45	0.0	-65.49	341.40	3.69	-61.80
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)N1CC[NH+](C)CC1	REAL300029241416	1	53	0.0	-68.12	381.65	2.02	-66.10
CC1CN(C(=O)CC2C[NH+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241452	0	45	0.0	-69.57	343.21	3.07	-66.50
CC1CN(C(=O)C2CC[N@@H+]2C2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241456	0	52	0.0	-66.08	376.04	4.84	-61.24
CC1CN(C(=O)C2CC[N@H+]2C2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241456	1	52	0.0	-67.40	381.81	5.05	-62.35
CC1CN(C(=O)C2CC[N@@H+]2C(C)(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241465	0	51	0.0	-63.94	356.56	3.22	-60.72
CC1CN(C(=O)C2CC[N@H+]2C(C)(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241465	1	51	0.0	-63.84	377.03	4.23	-59.61
CC1CN(C(=O)C2CCN(C3=CC=[NH+]C=C3)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241478	0	51	0.0	-66.90	383.85	2.63	-64.27
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300029241482	0	44	0.0	-66.99	331.31	2.88	-64.11
CCC1CCC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029241541	0	54	0.0	-67.71	389.85	5.33	-62.38
CCC1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029241541	1	54	0.0	-68.33	393.03	5.41	-62.92
CC1CN(C(=O)C2=CC=C(C[NH+](C)C)N2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241551	0	49	0.0	-69.67	375.51	3.80	-65.87
CC1CN(C(=O)CC2CC3CCC(C2)[NH+]3C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241568	0	55	0.0	-67.84	381.67	5.07	-62.77
CC1CN(C(=O)CC(C2=CC=CC=C2)[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241575	0	54	0.0	-72.68	405.72	6.62	-66.06
CC1CN(C(=O)CN2C=CSC2=[NH2+])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241623	0	41	0.0	-64.21	338.98	2.44	-61.77
CC1CN(C(=O)CC[N@H+](C)CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241636	0	48	0.0	-69.85	366.46	0.59	-69.26
CC1CN(C(=O)CC[N@@H+](C)CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241636	1	48	0.0	-69.29	362.37	0.34	-68.95
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300029241637	0	44	0.0	-66.99	331.31	2.88	-64.11
CC1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241642	0	48	0.0	-64.50	356.32	4.15	-60.35
CC1CN(C(=O)[C@H]2CCCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241642	1	48	0.0	-66.44	345.22	3.68	-62.76
CC1CN(C(=O)C2C[N@@H+]3CCN2CC3C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241653	0	51	0.0	-69.34	360.79	0.89	-68.45
CC1CN(C(=O)C2C[N@H+]3CCN2CC3C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241653	1	51	0.0	-68.93	360.81	0.85	-68.08
COC1C[N@@H+]2CCCC2(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029241707	0	53	0.0	-63.58	384.13	2.62	-60.96
COC1C[N@H+]2CCCC2(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029241707	1	53	0.0	-62.39	385.48	2.81	-59.58
CC1CN(C(=O)CC2=CC3=C[NH+]=CN3C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241725	0	46	0.0	-68.48	370.64	6.89	-61.59
CC1CN(C(=O)C[N@H+](C)C2CCSC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241762	0	49	0.0	-74.14	371.43	4.51	-69.63
CC1CN(C(=O)C[N@@H+](C)C2CCSC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241762	1	49	0.0	-74.25	375.35	4.78	-69.47
CC1CN(C(=O)C[NH+]2CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241763	1	42	0.0	-68.64	322.22	2.71	-65.93
CC1CN(C(=O)C2=CC=NC(C[NH+](C)C)=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241807	1	50	0.0	-67.31	384.36	3.57	-63.74
CC1CN(C(=O)C=C2CC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241809	0	46	0.0	-72.27	348.86	3.88	-68.39
CC1CN(C(=O)C=C2CC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241809	1	46	0.0	-72.26	348.65	3.86	-68.40
CC1CN(C(=O)C2C[NH+](C3CCCCC3)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241840	0	55	0.0	-70.23	403.73	5.62	-64.61
CC1CN(C(=O)COCC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241861	0	48	0.0	-67.73	367.71	3.39	-64.34
CCCCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029241869	0	56	0.0	-71.39	416.70	5.86	-65.53
CCCCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029241869	1	56	0.0	-71.39	416.69	5.87	-65.52
CC1CN(C(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241881	0	52	0.0	-68.47	387.90	4.20	-64.27
C=CCC(C)(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300029241893	0	51	0.0	-63.00	361.12	4.02	-58.98
CC1CN(C(=O)C(O)CC[S+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241898	0	47	0.0	-67.85	376.66	1.96	-65.89
CC1CN(C(=O)C2(C)CC(O)C[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241941	0	49	0.0	-66.80	355.19	-0.06	-66.86
CC1CN(C(=O)C2CN(C)CC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241956	0	53	0.0	-66.19	378.21	2.28	-63.91
CC1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241956	1	53	0.0	-66.19	378.21	2.28	-63.91
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[N@@H+]1CCCC(O)C1	REAL300029241957	0	52	0.0	-67.23	385.19	1.55	-65.68
CC1CN(C(=O)CC2(O)CCC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241986	0	52	0.0	-67.36	379.58	2.85	-64.51
CC1CN(C(=O)CC2(O)CCC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241986	1	52	0.0	-67.36	379.58	2.85	-64.51
CC1CN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029241990	0	45	0.0	-68.63	343.47	3.46	-65.17
CC1C[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029241990	1	45	0.0	-68.63	343.47	3.46	-65.17
CC1CN(C(=O)CN(C)CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242022	0	45	0.0	-69.20	340.00	-0.31	-69.51
CC1CN(C(=O)C[N@H+](C)CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242022	1	45	0.0	-68.26	340.00	-0.29	-68.55
CC1CN(C(=O)C[N@@H+](C)CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242022	1	45	0.0	-68.26	340.00	-0.29	-68.55
CC1CN(C(=O)C=C2CC3CCC(C2)[NH+]3C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242055	0	53	0.0	-68.32	384.28	5.23	-63.09
CC1CN(C(=O)C2C[N@@H+]3CCN2CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242060	0	51	0.0	-72.22	355.14	1.64	-70.58
CC1CN(C(=O)C2C[N@H+]3CCN2CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242060	1	51	0.0	-72.22	355.14	1.64	-70.58
CC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029242071	0	51	0.0	-67.56	376.67	4.79	-62.77
CC[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029242071	1	51	0.0	-67.56	376.67	4.79	-62.77
CC(CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)C[NH+](C)C	REAL300029242073	0	50	0.0	-70.03	369.10	4.31	-65.72
CC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029242091	0	44	0.0	-68.38	329.66	2.92	-65.46
CC1CN(C(=O)C23CCC[N@@H+]2CCCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242123	0	52	0.0	-62.12	360.41	4.04	-58.08
CC1CN(C(=O)C23CCC[N@H+]2CCCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242123	1	52	0.0	-62.12	360.41	4.04	-58.08
CC1CN(C(=O)C23CCC[N@@H+]2CC=CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242133	0	50	0.0	-61.01	353.36	3.84	-57.17
CC1CN(C(=O)C23CCC[N@H+]2CC=CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242133	1	50	0.0	-61.01	353.36	3.84	-57.17
CC[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)C1CC1	REAL300029242166	0	48	0.0	-66.82	353.50	4.20	-62.62
CC[NH+](CC)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029242191	0	50	0.0	-69.52	369.90	4.35	-65.17
CC1CN(C(=O)CN2CC(C)(C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242232	0	48	0.0	-68.54	362.52	3.95	-64.59
CC1CN(C(=O)C[NH+]2CC(C)(C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242232	1	48	0.0	-68.54	362.52	3.95	-64.59
CC1CN(C(=O)CCCC[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242238	0	57	0.0	-69.23	422.78	6.70	-62.53
CC1CN(C(=O)C[N@@H+]2CCC(C)(O)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242276	0	49	0.0	-67.67	367.97	0.68	-66.99
CC1CN(C(=O)C=CC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242289	0	45	0.0	-77.82	346.77	3.48	-74.34
CC(OCC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029242320	0	51	0.0	-65.95	386.31	4.07	-61.88
CC1CN(C(=O)CCOCC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242333	0	51	0.0	-67.72	393.10	3.45	-64.27
COCCN(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029242334	0	48	0.0	-68.06	362.25	2.11	-65.95
COCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029242334	1	48	0.0	-69.42	362.26	2.09	-67.33
COCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029242334	1	48	0.0	-69.42	362.26	2.09	-67.33
COCCCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029242372	0	57	0.0	-74.16	428.87	4.16	-70.00
COCCCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029242372	1	57	0.0	-74.16	428.87	4.16	-70.00
CC1CN(C(=O)C2([NH+](C)C)CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242400	0	51	0.0	-65.18	348.44	3.96	-61.22
CC(CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300029242403	0	50	0.0	-71.43	369.31	4.35	-67.08
CCN1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029242414	0	45	0.0	-65.91	336.48	2.95	-62.96
CC[N@@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029242414	1	45	0.0	-65.45	335.33	3.03	-62.42
CC[N@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029242414	1	45	0.0	-65.45	335.33	3.03	-62.42
CC(C)[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029242430	0	54	0.0	-65.79	388.25	4.97	-60.82
CC(C)[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029242430	1	54	0.0	-65.79	388.25	4.97	-60.82
CC1CN(C(=O)C2CCN(C3=NC=CN3C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242431	0	52	0.0	-63.62	389.85	4.85	-58.77
CC1CN(C(=O)C2CCN(C3=[NH+]C=CN3C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242431	1	52	0.0	-63.62	389.85	4.85	-58.77
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[N@H+](C)CC1=CC=CC=C1	REAL300029242438	0	54	0.0	-67.08	408.15	6.52	-60.56
CC1CN(C(=O)C[N@@H+]2CCCC2CO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242447	0	49	0.0	-67.86	365.75	0.75	-67.11
CC1CN(C(=O)C2CC3CCCC[N@@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242480	0	52	0.0	-67.05	376.00	4.82	-62.23
CC1CN(C(=O)C2CC3CCCC[N@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242480	1	52	0.0	-67.05	376.00	4.82	-62.23
CC1CN(C(=O)C2(C)CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242491	0	51	0.0	-68.81	360.01	3.94	-64.87
C=CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300029242541	0	48	0.0	-64.88	353.14	3.72	-61.16
CC1CN(C(=O)C23CCC([NH+](C)C)(CC2)CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242554	0	58	0.0	-70.34	392.74	4.95	-65.39
CC1CN(C(=O)C2CC(C)(C)C[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242562	0	51	0.0	-65.47	374.58	4.23	-61.24
CC1CN(C(=O)C2CC(C)(C)C[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242562	1	51	0.0	-65.47	374.58	4.23	-61.24
CC1CN(C(=O)CCCCC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242567	0	53	0.0	-69.60	403.09	5.63	-63.97
CC1C[N@@H+](C2CCC2C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CCO1	REAL300029242600	0	56	0.0	-64.63	400.42	4.57	-60.06
CC1CN(C(=O)C2C[N@@H+]3CCN2C(C)C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242628	0	51	0.0	-71.60	361.05	0.90	-70.70
CCCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300029242630	0	50	0.0	-65.37	361.14	3.96	-61.41
CC1CN(C(=O)C(C)(C)[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242636	0	47	0.0	-63.76	331.72	2.72	-61.04
CC[NH+](CC)CCSCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029242685	0	54	0.0	-69.92	414.16	5.62	-64.30
CC1CN(C(=O)C2CCCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242697	0	48	0.0	-66.10	344.47	3.50	-62.60
CC1CN(C(=O)CC2=CC[N@H+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242759	0	49	0.0	-67.19	375.10	4.91	-62.28
CC1CN(C(=O)CC2=CC[N@@H+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242759	1	49	0.0	-67.19	375.10	4.91	-62.28
CC1CN(C(=O)CC2([NH+]3CCCC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242772	0	52	0.0	-65.07	377.37	5.18	-59.89
CC1CN(C(=O)C2(C[NH+]3CCCC3)CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242799	0	58	0.0	-65.79	401.25	6.14	-59.65
CC1CN(C(=O)C(C)(C)C2CCC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242839	0	57	0.0	-70.09	393.53	4.87	-65.22
CC1CN(C(=O)C(C)(C)C2CCC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242839	1	57	0.0	-69.81	393.66	4.89	-64.92
CC1CN(C(=O)C2=CC=C(C[NH+](C)C)O2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242844	1	48	0.0	-68.77	376.86	4.41	-64.36
CC1CN(C(=O)C2=CC=C(C[NH+](C)C)N=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242850	0	50	0.0	-70.49	388.04	3.85	-66.64
CC1CN(C(=O)C2=CC=C(C[NH+]3CCCC3)O2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242867	0	52	0.0	-68.39	403.30	5.62	-62.77
CC1CN(C(=O)C=CC[NH+]2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242871	0	49	0.0	-71.13	375.39	4.84	-66.29
CC1CN(C(=O)C2CC[NH+](C3CC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242903	0	52	0.0	-68.23	382.32	5.20	-63.03
CC1CN(C(=O)C2C[N@H+](C)CC2C(F)(F)F)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242928	0	48	0.0	-75.47	376.46	4.20	-71.27
CC1CN(C(=O)C2C[N@@H+](C)CC2C(F)(F)F)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242928	1	48	0.0	-76.77	374.66	4.03	-72.74
CC1CN(C(=O)C2([NH+](C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242930	0	45	0.0	-66.08	335.74	2.95	-63.13
CC1CN(C(=O)CC[NH+]2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242934	0	48	0.0	-69.15	360.43	4.05	-65.10
CC1CN(C(=O)C2CC(=O)N(C3C[NH+](C)C3)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242945	1	53	0.0	-70.30	396.96	2.94	-67.36
CC1CN(C(=O)C2C[NH+]3CCN2CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242996	0	48	0.0	-71.34	345.31	0.47	-70.87
CC1CN(C(=O)C23CC(C2)C[N@@H+]3C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243007	0	46	0.0	-63.70	338.52	3.29	-60.41
CC1CN(C(=O)C23CC(C2)C[N@H+]3C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243007	1	46	0.0	-64.33	339.00	3.41	-60.92
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C=NN1CC[NH+](C)C	REAL300029243023	0	54	0.0	-79.87	418.15	4.37	-75.50
CC1CN(C(=O)C[N@@H+]2CC3CCC2C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243026	0	49	0.0	-66.51	362.49	4.65	-61.86
CC1CN(C(=O)C[N@H+]2CC3CCC2C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243026	1	49	0.0	-65.39	356.00	4.18	-61.21
CC(C)[NH+]1CCC(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC1	REAL300029243043	0	57	0.0	-66.06	405.96	5.66	-60.40
CC1CN(C(=O)C=C2C[NH+]3CCC2CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243098	0	50	0.0	-66.89	371.61	5.06	-61.83
CC1CN(C(=O)C[N@@H+]2CC3C=CC2C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243111	1	47	0.0	-65.19	355.51	4.45	-60.74
CC1CN(C(=O)C[N@H+]2CC3C=CC2C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243111	1	47	0.0	-64.93	355.32	4.45	-60.48
CC1CN(C(=O)C(C[NH+](C)C)C2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243154	0	54	0.0	-67.40	408.66	6.20	-61.20
CC[NH+]1CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC1	REAL300029243157	0	53	0.0	-67.66	388.40	2.52	-65.14
CC(C[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029243188	0	47	0.0	-68.91	351.01	3.44	-65.47
CC1CN(C(=O)CC2CCCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243300	0	51	0.0	-62.84	368.03	4.78	-58.06
CC1CN(C(=O)CC2CCCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243300	1	51	0.0	-63.62	368.00	4.78	-58.84
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C(C)C3)C=CN2C=[NH+]1	REAL300029243323	1	46	0.0	-67.44	372.68	6.54	-60.90
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+]1CC(C)C1	REAL300029243324	0	48	0.0	-64.87	361.93	3.83	-61.04
CC1CC[N@@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029243328	1	45	0.0	-71.09	341.80	3.34	-67.75
CC1CC[N@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029243328	1	45	0.0	-66.69	342.04	3.47	-63.22
CC1CN(C(=O)CC(O)C[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243333	0	48	0.0	-73.25	368.79	1.73	-71.52
CC1C[N@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)O1	REAL300029243374	1	49	0.0	-74.13	359.35	3.19	-70.94
CC1C[N@@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)O1	REAL300029243374	1	49	0.0	-83.41	363.84	3.17	-80.24
CC1CN(C(=O)CC[NH+]2CCC(O)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243388	0	52	0.0	-73.07	387.20	1.42	-71.65
CCC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029243391	0	54	0.0	-63.90	396.76	5.57	-58.33
CCC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029243391	1	54	0.0	-65.23	384.62	4.97	-60.26
CC[NH+]1CCN(CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC1	REAL300029243395	0	56	0.0	-68.36	414.06	3.22	-65.14
CCN1CC[NH+](CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC1	REAL300029243395	1	56	0.0	-70.55	410.52	2.97	-67.58
CC1CN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243398	0	55	0.0	-74.00	378.73	4.92	-69.08
CC1CN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243398	1	55	0.0	-61.69	383.84	5.53	-56.16
CC(C)C[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC1	REAL300029243452	0	57	0.0	-69.95	412.80	5.93	-64.02
CC1CN(C(=O)CN2CCC([NH+](C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243485	0	56	0.0	-68.72	405.47	3.09	-65.63
CC1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243510	0	48	0.0	-69.08	360.84	3.99	-65.09
CC(CC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029243520	0	50	0.0	-71.44	372.81	4.11	-67.33
CC1CN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243558	0	52	0.0	-66.20	382.59	1.65	-64.55
CC1CN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243558	1	52	0.0	-64.63	382.01	1.54	-63.09
C#CC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029243568	1	50	0.0	-64.26	381.21	5.37	-58.89
C#CC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029243568	1	50	0.0	-65.30	370.51	4.87	-60.43
CC1CN(C(=O)C(CC2=CC=CC=C2)[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243574	0	54	0.0	-69.35	396.33	6.04	-63.31
CC1CN(C(=O)CN2CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243576	1	50	0.0	-68.93	371.35	1.87	-67.06
CC[NH+]1CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC1	REAL300029243589	0	53	0.0	-67.66	388.40	2.52	-65.14
CC1CN(C(=O)CSC(N)=[NH2+])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243622	0	39	0.0	-68.97	319.83	-0.70	-69.67
CC[N@@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029243676	0	52	0.0	-70.21	379.31	2.96	-67.25
CC1CN(C(=O)C2(CC[NH+](C)C)CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243698	0	57	0.0	-69.11	405.12	5.40	-63.71
CC1CN(C(=O)CC[NH+]2C(C)CCCC2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243700	0	57	0.0	-66.04	402.30	5.41	-60.63
CC1CN(C(=O)C2CCC([NH+](C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243703	0	54	0.0	-70.38	393.06	5.28	-65.10
CC1CN(C(=O)C2(CC[NH+](C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243704	0	51	0.0	-69.03	388.25	4.91	-64.12
CC1CN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243708	0	54	0.0	-64.75	380.89	4.80	-59.95
CC1CN(C(=O)CC2CC=CC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243709	0	49	0.0	-63.65	358.34	4.33	-59.32
CC1CN(C(=O)CC2CC=CC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243709	1	49	0.0	-63.65	358.34	4.33	-59.32
C[C@@H](OCC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029243746	0	51	0.0	-66.59	387.46	4.21	-62.38
CC1CN(C(=O)C2CC3CCC(C2)[NH+]3C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243790	0	52	0.0	-67.18	360.71	4.23	-62.95
CC1CN(C(=O)C2(C3(O)CC[NH+](C)CC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243918	0	56	0.0	-67.88	404.59	2.98	-64.90
CC1CN(C(=O)C2(CC[NH+]3CCCCC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243947	0	58	0.0	-65.69	426.62	6.66	-59.03
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+]1CCSCC1	REAL300029243973	1	49	0.0	-70.35	365.10	4.23	-66.12
CCC1C[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029243976	0	48	0.0	-69.25	364.57	4.10	-65.15
CC1CN(C(=O)C2C[NH+](C3CCOCC3)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243978	0	53	0.0	-72.67	394.89	3.23	-69.44
CC1CN(C(=O)C2([NH+]3CCCC3)CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243980	0	52	0.0	-60.84	368.72	4.45	-56.39
CC1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243992	0	45	0.0	-65.95	330.86	2.90	-63.05
CC1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243992	1	45	0.0	-69.99	336.09	3.22	-66.77
CC1CN(C(=O)CC[N@@H+]2CCC(F)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029244002	0	48	0.0	-74.28	366.73	4.24	-70.04
CC1CN(C(=O)CC[N@H+]2CCC(F)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029244002	1	48	0.0	-74.65	370.45	4.53	-70.12
COC1C[N@H+](C)C(C)(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029244013	0	52	0.0	-63.25	375.43	2.19	-61.06
COC1C[N@@H+](C)C(C)(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029244013	1	52	0.0	-65.15	375.69	2.12	-63.03
CC1CN(C(=O)CC[NH+]2CCCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029244027	0	54	0.0	-70.83	386.11	4.95	-65.88
CC1CN(C(=O)C[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029244031	0	48	0.0	-67.90	353.65	4.13	-63.77
CC1C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC[N@@H+]1C	REAL300029244041	0	48	0.0	-68.07	354.56	3.53	-64.54
CC1C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC[N@H+]1C	REAL300029244041	1	48	0.0	-68.28	348.23	3.26	-65.02
CC1CN(C(=O)CCC2CCCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029244044	0	54	0.0	-70.36	385.89	5.03	-65.33
CC1CN(C(=O)CCC2CCCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029244044	1	54	0.0	-70.78	390.22	5.45	-65.33
CC1CN(C(=O)C2CC[N@@H+]3CCOCC23)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029244089	0	50	0.0	-67.54	363.36	2.39	-65.15
CC1CN(C(=O)C2CC[N@H+]3CCOCC23)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029244089	1	50	0.0	-65.72	367.17	3.14	-62.58
CC1=[NH+]C=C2C=CC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C(C)C3)=CN21	REAL300029244098	0	46	0.0	-63.69	372.06	5.71	-57.98
CC1CN(C(=O)CC2COCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029244121	1	49	0.0	-73.97	366.56	2.40	-71.57
CC1CN(C(=O)CC2COCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029244121	1	49	0.0	-66.06	355.22	2.00	-64.06
CC1=C(C)[NH+]=C(CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)N1	REAL300029244135	1	49	0.0	-63.22	383.27	3.66	-59.56
CC1CN(C(=O)C2=CC=CC(CC[NH+](C)C)=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029244148	0	54	0.0	-70.81	412.43	6.40	-64.41
CC1CN(C(=O)C2CC[N@@H+]2CC2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029244153	1	52	0.0	-66.41	398.94	6.24	-60.17
CC1CN(C(=O)C2CC[N@H+]2CC2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029244153	1	52	0.0	-67.43	400.01	6.25	-61.18
CC(C)C[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029244157	0	57	0.0	-65.71	404.57	5.93	-59.78
CC(C)C[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029244157	1	57	0.0	-72.99	415.09	6.17	-66.82
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@@H+]1C	REAL300029244316	0	45	0.0	-66.12	330.60	2.82	-63.30
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@H+]1C	REAL300029244316	1	45	0.0	-64.08	335.25	3.17	-60.91
CC1=[NH+]C=CN1CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029244511	1	49	0.0	-64.78	382.88	5.22	-59.56
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCC[NH+]1CCOCC1	REAL300029244515	1	55	0.0	-71.97	414.54	4.32	-67.65
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300029244519	0	51	0.0	-72.58	391.67	5.71	-66.87
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCOCC1	REAL300029244520	1	49	0.0	-71.61	367.18	2.34	-69.27
CCC[NH+](CCC)CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029244542	0	59	0.0	-68.30	433.76	6.53	-61.77
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300029244574	1	43	0.0	-68.78	341.76	5.47	-63.31
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCCC([NH+](C)C)C1	REAL300029244653	0	54	0.0	-71.22	387.50	4.88	-66.34
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC[N@H+](C)C1	REAL300029244660	0	48	0.0	-69.00	358.09	3.94	-65.06
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC[N@@H+](C)C1	REAL300029244660	1	48	0.0	-74.51	358.71	4.04	-70.47
CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300029244677	0	47	0.0	-65.49	341.08	3.25	-62.24
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300029244687	1	46	0.0	-71.64	372.83	4.34	-67.30
CC1CC2CCC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C)C[N@@H+]2C1	REAL300029244737	0	55	0.0	-64.89	396.60	5.45	-59.44
CC1CC2CCC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C)C[N@H+]2C1	REAL300029244737	1	55	0.0	-69.78	396.38	5.39	-64.39
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCC[NH+](C)C	REAL300029244771	0	50	0.0	-68.97	377.28	4.45	-64.52
CCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029244794	0	50	0.0	-70.47	377.54	4.56	-65.91
CCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029244794	1	50	0.0	-69.56	373.51	4.29	-65.27
CCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029244799	0	47	0.0	-72.96	351.19	3.67	-69.29
CCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029244799	1	47	0.0	-68.83	355.50	4.10	-64.73
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C12CC[N@H+](C1)CCC2	REAL300029244824	0	49	0.0	-68.53	349.97	3.54	-64.99
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300029244824	1	49	0.0	-68.90	350.38	3.50	-65.40
CCCCCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029244868	0	56	0.0	-74.19	415.68	6.01	-68.18
CCCCCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029244868	1	56	0.0	-70.01	420.01	6.41	-63.60
CC1CC[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300029244921	0	51	0.0	-73.25	374.52	4.73	-68.52
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300029244949	1	46	0.0	-72.98	369.08	3.40	-69.58
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)COC1CC[NH+](C)CC1	REAL300029244957	0	52	0.0	-71.42	391.86	4.27	-67.15
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCCC[N@@H+]2C1	REAL300029245019	0	52	0.0	-65.67	375.50	4.89	-60.78
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCCC[N@H+]2C1	REAL300029245019	1	52	0.0	-64.71	374.96	4.86	-59.85
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1(C[NH+](C)C)CC1	REAL300029245038	0	48	0.0	-66.26	363.37	4.16	-62.10
CC1=[NH+]C=C2CCC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C)CN21	REAL300029245039	1	50	0.0	-60.82	376.67	4.76	-56.06
CC(C)[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300029245050	0	54	0.0	-72.83	383.78	4.69	-68.14
CC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029245085	0	47	0.0	-68.82	352.01	3.57	-65.25
CC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029245085	1	47	0.0	-69.81	356.04	3.83	-65.98
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300029245124	0	58	0.0	-68.26	417.65	6.43	-61.83
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300029245124	1	58	0.0	-66.89	413.37	6.04	-60.85
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[NH+]2CCC1CC2	REAL300029245141	0	49	0.0	-71.06	352.08	4.12	-66.94
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[NH+](C)CC1	REAL300029245232	0	48	0.0	-75.41	353.10	3.74	-71.67
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[NH+](CC2CC2)CC1	REAL300029245331	0	55	0.0	-69.67	402.28	5.92	-63.75
CC[NH+](CC)CC(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029245379	0	50	0.0	-66.57	368.66	3.90	-62.67
CC(C)C[N@@H+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029245415	0	54	0.0	-67.01	392.63	5.23	-61.78
CC(C)C[N@H+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029245415	1	54	0.0	-66.79	392.93	5.13	-61.66
CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](CC)CC	REAL300029245448	0	53	0.0	-60.88	377.20	4.74	-56.14
CC1CCC[N@@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029245474	0	48	0.0	-64.16	350.63	3.66	-60.50
CC1CCC[N@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029245474	1	48	0.0	-64.75	357.08	4.05	-60.70
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029245572	1	52	0.0	-61.35	397.32	5.48	-55.87
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1CCCCCC1	REAL300029245576	0	54	0.0	-63.78	380.90	4.88	-58.90
CC(C)[N@@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029245610	0	51	0.0	-63.55	362.94	4.59	-58.96
CC(C)[N@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029245610	1	51	0.0	-62.02	370.20	4.39	-57.63
CC(C)[N@@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029245623	0	54	0.0	-61.89	385.94	5.21	-56.68
CC(C)[N@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029245623	1	54	0.0	-66.10	394.92	5.24	-60.86
CC1CC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029245680	0	48	0.0	-67.22	358.07	4.05	-63.17
CC1CC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029245680	1	48	0.0	-66.97	357.48	4.01	-62.96
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1(F)CC[N@@H+](C(C)(C)C)C1	REAL300029245681	0	54	0.0	-63.36	394.21	4.83	-58.53
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1(F)CC[N@H+](C(C)(C)C)C1	REAL300029245681	1	54	0.0	-62.75	389.34	4.50	-58.25
CC1=[NH+]C=C2CC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C)CCN21	REAL300029245682	1	50	0.0	-62.51	378.05	4.85	-57.66
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300029245684	0	54	0.0	-73.21	414.17	6.56	-66.65
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300029245686	0	51	0.0	-67.68	381.21	4.79	-62.89
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1	REAL300029245686	1	51	0.0	-67.61	381.31	4.94	-62.67
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)CC(C)(C)C	REAL300029245687	0	53	0.0	-72.25	382.23	4.86	-67.39
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C	REAL300029245687	1	53	0.0	-68.27	383.76	4.94	-63.33
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300029245688	0	54	0.0	-76.99	411.09	6.69	-70.30
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300029245688	1	54	0.0	-77.01	411.09	6.69	-70.32
CC[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300029245697	0	47	0.0	-64.71	342.12	3.46	-61.25
CC(COCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1CCCC1	REAL300029245704	0	55	0.0	-64.79	410.50	4.93	-59.86
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCN(C)C1=CC=[NH+]C=C1	REAL300029245871	0	50	0.0	-63.84	386.39	3.97	-59.87
CC1=[NH+]C=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029245989	1	43	0.0	-64.62	345.35	4.16	-60.46
CC(C[NH+]1CCOCC1)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029245991	1	52	0.0	-69.04	380.43	2.79	-66.25
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC[NH+]1CCCCC1	REAL300029246009	0	54	0.0	-68.06	397.41	5.56	-62.50
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300029246029	1	47	0.0	-74.82	371.40	3.93	-70.89
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C=CC2=C[NH+]=CN21	REAL300029246031	0	46	0.0	-66.88	368.11	6.37	-60.51
CC(C)C1=[NH+]C=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029246091	1	49	0.0	-63.29	382.03	5.41	-57.88
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300029246146	0	52	0.0	-68.58	362.96	4.71	-63.87
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCCC2CCC[N@H+]21	REAL300029246146	1	52	0.0	-65.27	377.38	5.12	-60.15
CC[N@@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029246187	1	49	0.0	-67.56	354.24	2.88	-64.68
CC[N@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029246187	1	49	0.0	-72.57	365.75	3.43	-69.14
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300029246261	0	43	0.0	-66.79	342.43	5.59	-61.20
CC1=C[NH+]=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029246266	1	43	0.0	-67.59	345.68	4.89	-62.70
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300029246272	0	51	0.0	-73.48	394.07	3.46	-70.02
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300029246286	0	51	0.0	-71.66	397.81	4.39	-67.27
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)CC[N@@H+]1C	REAL300029246293	0	48	0.0	-69.23	351.50	4.11	-65.12
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)CC[N@H+]1C	REAL300029246293	1	48	0.0	-68.28	353.74	3.53	-64.75
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029246296	1	52	0.0	-66.40	397.91	5.52	-60.88
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)CC[N@@H+]1C	REAL300029246299	0	51	0.0	-74.59	369.21	4.12	-70.47
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)CC[N@H+]1C	REAL300029246299	1	51	0.0	-72.67	370.51	4.12	-68.55
CC1CCC(C)[NH+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029246322	0	51	0.0	-63.54	373.26	4.45	-59.09
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC[NH+]1CCCC1	REAL300029246332	0	51	0.0	-68.87	386.11	5.26	-63.61
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300029246333	0	51	0.0	-70.56	393.67	5.74	-64.82
C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300029246342	0	50	0.0	-76.79	378.64	4.96	-71.83
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCCCC1	REAL300029246343	0	51	0.0	-69.25	380.28	5.16	-64.09
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1C=[NH+]C2=C1CCCC2	REAL300029246365	1	50	0.0	-65.54	383.51	6.34	-59.20
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1(C[NH+](C)C)CCCCC1	REAL300029246400	0	57	0.0	-67.48	387.24	5.08	-62.40
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@H+](C)C1CCCCC1	REAL300029246404	0	57	0.0	-69.36	410.32	5.92	-63.44
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@@H+](C)C1CCCCC1	REAL300029246404	1	57	0.0	-70.33	414.35	6.20	-64.13
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1([NH+](C)C)CCCC1	REAL300029246407	0	54	0.0	-69.82	379.20	5.16	-64.66
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1	REAL300029246422	1	52	0.0	-72.43	394.07	3.50	-68.93
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NNC(C2CCC[N@H+]2C)=C1	REAL300029246422	1	52	0.0	-73.12	398.55	3.91	-69.21
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)C1CCC1	REAL300029246651	0	48	0.0	-66.64	362.03	4.51	-62.13
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)C1CCC1	REAL300029246651	1	48	0.0	-65.53	358.13	4.25	-61.28
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1C(C)CCC1C	REAL300029246685	0	54	0.0	-66.14	368.94	3.98	-62.16
CC[NH+](CC)CC1=CC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)O1	REAL300029246702	0	54	0.0	-65.43	412.67	5.74	-59.69
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCC[NH+]1CCCC1	REAL300029246707	0	54	0.0	-67.55	403.24	5.64	-61.91
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300029246710	1	51	0.0	-72.67	392.63	6.13	-66.54
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300029246710	1	51	0.0	-72.64	392.57	6.13	-66.51
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[NH+](C)CC1	REAL300029246726	0	48	0.0	-75.41	353.10	3.74	-71.67
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CCC[N@@H+]1C	REAL300029246787	0	45	0.0	-64.59	337.29	3.34	-61.25
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CCC[N@H+]1C	REAL300029246787	1	45	0.0	-65.59	334.53	3.09	-62.50
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1CCC[N@@H+]1C	REAL300029246816	0	51	0.0	-67.37	373.44	4.35	-63.02
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1CCC[N@H+]1C	REAL300029246816	1	51	0.0	-68.80	379.30	4.84	-63.96
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300029246833	0	52	0.0	-67.20	371.51	4.74	-62.46
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC2CCCC[N@H+]21	REAL300029246833	1	52	0.0	-61.63	379.96	5.30	-56.33
CCC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029246928	0	54	0.0	-67.60	399.40	5.51	-62.09
CCC[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029246928	1	54	0.0	-69.92	399.60	5.51	-64.41
CC(C)[N@@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029246945	1	52	0.0	-68.74	379.56	3.56	-65.18
CC(C)[N@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029246945	1	52	0.0	-69.07	378.31	3.53	-65.54
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCC(CO)CC1	REAL300029247032	0	52	0.0	-75.71	385.76	1.53	-74.18
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=C1CC2CCC(C1)[NH+]2C	REAL300029247080	0	53	0.0	-68.23	388.36	5.51	-62.72
CC1C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)CC[N@@H+]1C	REAL300029247099	0	48	0.0	-67.39	349.86	3.43	-63.96
CC1C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)CC[N@H+]1C	REAL300029247099	1	48	0.0	-66.92	348.79	3.27	-63.65
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1CCCC[N@@H+]1C	REAL300029247103	0	54	0.0	-69.81	389.92	5.33	-64.48
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1CCCC[N@H+]1C	REAL300029247103	1	54	0.0	-70.31	389.90	5.34	-64.97
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=C(CCC2)[NH+]=C1N	REAL300029247140	1	48	0.0	-58.20	370.57	3.43	-54.77
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300029247219	0	51	0.0	-65.00	354.08	3.56	-61.44
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@H+]1C(C)(C)C	REAL300029247219	1	51	0.0	-63.87	376.22	4.21	-59.66
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300029247239	0	51	0.0	-68.53	386.97	2.91	-65.62
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300029247245	0	44	0.0	-65.49	328.57	2.72	-62.77
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=NC(C[NH+](C)C)=C1	REAL300029247266	1	50	0.0	-66.44	385.27	3.60	-62.84
C=CCC(C)(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300029247272	0	51	0.0	-64.80	358.29	3.78	-61.02
CC[NH+](CC)CCSCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029247310	0	54	0.0	-69.01	410.14	5.38	-63.63
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C(N)C2=CC=CC=C2[NH+]=C1	REAL300029247311	1	47	0.0	-59.30	368.12	2.80	-56.50
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCCC1	REAL300029247316	0	48	0.0	-69.75	363.02	4.34	-65.41
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)CCO	REAL300029247325	1	45	0.0	-73.29	340.04	-0.31	-73.60
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)CCO	REAL300029247325	1	45	0.0	-68.27	343.86	-0.02	-68.29
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@@H+]2CCN1CCC2	REAL300029247368	0	51	0.0	-71.68	355.36	1.64	-70.04
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@H+]2CCN1CCC2	REAL300029247368	1	51	0.0	-70.35	358.07	1.56	-68.79
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1CCSCC1	REAL300029247407	1	49	0.0	-68.17	372.22	4.46	-63.71
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC[N@H+](C)CC1	REAL300029247456	0	49	0.0	-67.46	371.08	4.66	-62.80
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC[N@@H+](C)CC1	REAL300029247456	1	49	0.0	-66.44	371.28	4.68	-61.76
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC(=O)N(C2C[NH+](C)C2)C1	REAL300029247467	1	53	0.0	-70.21	400.71	3.11	-67.10
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(O)CC[S+](C)C	REAL300029247475	0	47	0.0	-67.30	373.22	1.58	-65.72
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CN(C)CC[N@H+](C)C1	REAL300029247523	0	53	0.0	-65.84	377.62	2.29	-63.55
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CN(C)CC[N@@H+](C)C1	REAL300029247523	1	53	0.0	-71.45	376.81	1.61	-69.84
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[N@@H+]1CCCC(O)C1	REAL300029247524	0	52	0.0	-65.46	380.89	1.12	-64.34
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[N@H+]1CCCC(O)C1	REAL300029247524	1	52	0.0	-64.50	382.26	1.56	-62.94
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1(O)CCC[N@H+](C)C1	REAL300029247568	0	52	0.0	-67.20	370.03	2.53	-64.67
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1(O)CCC[N@@H+](C)C1	REAL300029247568	1	52	0.0	-65.69	376.47	2.74	-62.95
CC1C[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029247574	1	45	0.0	-68.52	347.49	3.75	-64.77
CC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029247581	0	51	0.0	-66.03	365.76	4.80	-61.23
CC[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029247581	1	51	0.0	-69.85	377.86	4.78	-65.07
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC=C[NH+]=C1N	REAL300029247597	0	44	0.0	-64.83	350.16	2.39	-62.44
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@@H+]1C1CC1	REAL300029247609	0	49	0.0	-66.23	364.72	4.67	-61.56
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@H+]1C1CC1	REAL300029247609	1	49	0.0	-62.35	364.93	4.71	-57.64
CC1C[N@@H+](C2CCC2C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)CCO1	REAL300029247639	0	56	0.0	-64.27	403.35	4.63	-59.64
CC1C[N@H+](C2CCC2C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)CCO1	REAL300029247639	1	56	0.0	-63.76	405.82	4.32	-59.44
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C[NH+]2CCCC2)O1	REAL300029247660	0	52	0.0	-67.54	402.75	5.45	-62.09
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=CC[NH+]1CCCC1	REAL300029247667	0	49	0.0	-70.57	377.19	4.98	-65.59
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300029247698	0	52	0.0	-67.89	382.24	5.21	-62.68
CC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029247749	0	44	0.0	-68.37	333.65	3.21	-65.16
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1CC2C=CC1C2	REAL300029247823	0	47	0.0	-65.71	351.34	4.30	-61.41
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CC2C=CC1C2	REAL300029247823	1	47	0.0	-65.73	351.08	4.28	-61.45
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+]1CC2C=CC1C2	REAL300029247823	1	47	0.0	-65.73	351.08	4.28	-61.45
CC1=CC=C(NCCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)[NH+]=C1	REAL300029247847	1	50	0.0	-63.04	390.78	3.73	-59.31
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[NH+]2CCN1CC2	REAL300029247928	0	48	0.0	-71.97	348.19	0.61	-71.36
CC(OCC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029248004	0	51	0.0	-64.89	384.21	3.70	-61.19
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCOCC[NH+](C)C	REAL300029248017	0	51	0.0	-66.40	388.71	3.15	-63.25
COCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029248019	1	48	0.0	-68.08	366.11	2.40	-65.68
COCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029248019	1	48	0.0	-73.61	362.29	2.09	-71.52
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[NH+](C2CCOC2)C1	REAL300029248022	0	50	0.0	-72.89	382.03	2.91	-69.98
CC(CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300029248028	0	50	0.0	-68.27	372.84	4.33	-63.94
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=C1CC[NH+](C)CC1	REAL300029248057	0	49	0.0	-70.26	369.03	4.94	-65.32
CC[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)C1CC1	REAL300029248070	0	48	0.0	-64.63	364.53	4.58	-60.05
CC[N@@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)C1CC1	REAL300029248070	1	48	0.0	-64.71	357.44	4.29	-60.42
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@@H+]2CCN1C(C)C2	REAL300029248081	0	51	0.0	-71.80	365.33	1.33	-70.47
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@H+]2CCN1C(C)C2	REAL300029248081	1	51	0.0	-72.22	363.53	1.19	-71.03
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029248131	1	48	0.0	-66.21	380.10	3.36	-62.85
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C=NN1CC[NH+](C)C	REAL300029248137	0	54	0.0	-75.50	415.71	4.34	-71.16
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CC2CCC1C2	REAL300029248140	0	49	0.0	-64.57	355.90	4.16	-60.41
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+]1CC2CCC1C2	REAL300029248140	1	49	0.0	-64.83	356.64	4.30	-60.53
CC(C)[NH+]1CCC(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300029248159	0	57	0.0	-64.67	409.40	5.87	-58.80
CC(C[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029248174	0	47	0.0	-69.05	354.18	3.79	-65.26
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300029248187	0	48	0.0	-75.96	360.05	3.65	-72.31
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300029248187	1	48	0.0	-72.47	358.04	3.94	-68.53
C[C@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300029248218	0	44	0.0	-66.20	333.71	3.08	-63.12
CC[N@@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029248231	1	45	0.0	-65.01	336.33	3.07	-61.94
CC[N@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029248231	1	45	0.0	-64.64	334.87	2.94	-61.70
CC(C)[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029248249	0	54	0.0	-71.04	389.72	5.10	-65.94
CC(C)[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029248249	1	54	0.0	-64.27	385.65	5.30	-58.97
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCN(C2=[NH+]C=CN2C)C1	REAL300029248251	1	52	0.0	-62.45	390.01	4.77	-57.68
CCC(C)(C)[NH2+]C(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029248273	0	53	0.0	-65.36	380.30	3.20	-62.16
C#CC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029248330	1	50	0.0	-62.75	378.17	5.16	-57.59
C#CC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029248330	1	50	0.0	-64.89	370.54	4.87	-60.02
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029248333	1	47	0.0	-59.40	366.46	3.31	-56.09
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C[NH+]=CC=C1N	REAL300029248335	0	41	0.0	-65.13	325.25	0.62	-64.51
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(CC1=CC=CC=C1)[NH+](C)C	REAL300029248341	0	54	0.0	-69.46	398.00	6.20	-63.26
CCCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300029248350	0	50	0.0	-65.31	360.92	3.93	-61.38
CC(CC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029248385	0	50	0.0	-69.43	375.83	4.43	-65.00
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300029248447	0	55	0.0	-73.45	381.02	5.09	-68.36
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300029248447	1	55	0.0	-61.33	384.40	5.65	-55.68
COCCCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029248530	0	57	0.0	-78.96	428.71	4.13	-74.83
COCCCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029248530	1	57	0.0	-74.19	432.71	4.42	-69.77
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C12CCC([NH+](C)C)(CC1)CC2	REAL300029248536	0	58	0.0	-69.07	393.16	5.06	-64.01
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300029248543	0	51	0.0	-65.08	371.02	3.87	-61.21
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC(C)(C)C[N@H+]1C	REAL300029248543	1	51	0.0	-64.50	370.36	3.97	-60.53
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCCC[NH+](C)C	REAL300029248549	0	53	0.0	-68.22	398.78	5.24	-62.98
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCC(O)CC1	REAL300029248555	0	52	0.0	-73.24	390.93	1.78	-71.46
CCC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029248560	0	54	0.0	-61.71	390.49	5.18	-56.53
CCC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029248560	1	54	0.0	-61.95	391.80	5.27	-56.68
CC[NH+]1CCN(CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300029248569	0	56	0.0	-67.31	410.84	3.10	-64.21
CCN1CC[NH+](CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300029248569	1	56	0.0	-69.77	410.52	2.99	-66.78
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1CC[NH+](C)CC1	REAL300029248573	1	50	0.0	-67.92	370.92	1.76	-66.16
CC(C)C[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300029248714	0	57	0.0	-74.91	409.46	5.83	-69.08
CC1C[N@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)O1	REAL300029248718	1	49	0.0	-73.56	360.17	2.80	-70.76
CC1C[N@@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)O1	REAL300029248718	1	49	0.0	-82.16	370.87	3.60	-78.56
CCC1CCC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029248760	0	54	0.0	-67.55	385.89	5.35	-62.20
CCC1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029248760	1	54	0.0	-67.59	392.90	5.38	-62.21
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C[NH+](C)C)N1	REAL300029248771	0	49	0.0	-68.63	375.55	3.79	-64.84
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CC2CC2C1	REAL300029248794	0	46	0.0	-68.52	350.82	4.50	-64.02
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1([NH+]2CCCC2)CC1	REAL300029248816	0	52	0.0	-64.94	381.22	5.34	-59.60
CC([NH2+]C1(CO)CCCC1)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029248836	0	55	0.0	-66.30	391.96	0.16	-66.14
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCCC[N@@H+]1C	REAL300029248871	0	48	0.0	-63.89	356.87	4.27	-59.62
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCCC[N@H+]1C	REAL300029248871	1	48	0.0	-65.56	344.64	3.54	-62.02
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300029248878	1	52	0.0	-70.23	407.10	6.60	-63.63
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@H+]1CC1=CC=CC=C1	REAL300029248878	1	52	0.0	-66.36	393.06	5.74	-60.62
CC(C)C[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029248885	0	57	0.0	-63.17	404.64	6.24	-56.93
CC(C)C[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029248885	1	57	0.0	-64.48	408.82	6.35	-58.13
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1CCC([NH+](C)C)CC1	REAL300029248951	0	56	0.0	-68.61	409.56	3.37	-65.24
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=C1CC[N@H+](C)C1	REAL300029249027	0	46	0.0	-71.15	349.23	3.99	-67.16
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=C1CC[N@@H+](C)C1	REAL300029249027	1	46	0.0	-72.09	352.68	4.15	-67.94
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CNC1=CC=[NH+]C=C1	REAL300029249035	0	44	0.0	-65.79	347.63	1.54	-64.25
CC[NH+]1CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300029249103	0	53	0.0	-67.45	392.97	2.84	-64.61
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=C1C[NH+]2CCC1CC2	REAL300029249106	0	50	0.0	-65.91	367.30	4.68	-61.23
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300029249169	0	52	0.0	-66.13	382.45	1.63	-64.50
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O	REAL300029249169	1	52	0.0	-66.02	387.25	1.90	-64.12
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[NH+](C2CCOCC2)C1	REAL300029249178	0	53	0.0	-73.25	399.48	3.61	-69.64
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@@H]1CCC[N@@H+]1C	REAL300029249195	0	45	0.0	-66.83	335.18	3.13	-63.70
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@@H]1CCC[N@H+]1C	REAL300029249195	1	45	0.0	-65.09	342.46	3.58	-61.51
CCN1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029249235	0	52	0.0	-68.57	375.73	2.77	-65.80
CC[N@@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029249235	1	52	0.0	-70.70	380.21	2.83	-67.87
CC[N@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029249235	1	52	0.0	-70.70	380.21	2.83	-67.87
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)NC2=C1CCC[NH2+]2	REAL300029249242	0	49	0.0	-88.15	380.21	1.71	-86.44
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[NH+](C2CCCCC2)C1	REAL300029249265	0	55	0.0	-70.63	407.83	6.01	-64.62
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C2NC(N)=NC2=C1	REAL300029249347	0	45	0.0	-64.39	355.89	3.22	-61.17
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C2NC(N)=[NH+]C2=C1	REAL300029249347	1	45	0.0	-64.39	355.89	3.22	-61.17
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300029249400	0	48	0.0	-67.38	361.10	4.02	-63.36
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1C(C)CCCC1C	REAL300029249415	0	57	0.0	-64.22	404.88	5.43	-58.79
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC([NH+](C)C)CC1	REAL300029249418	0	54	0.0	-69.06	387.55	4.89	-64.17
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300029249422	0	54	0.0	-64.04	386.16	5.21	-58.83
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC=CC[N@@H+]1C	REAL300029249423	0	49	0.0	-63.59	362.12	4.60	-58.99
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC=CC[N@H+]1C	REAL300029249423	1	49	0.0	-70.89	367.53	4.77	-66.12
CC1=CC(C=CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)=C[NH+]=C1N	REAL300029249494	1	48	0.0	-66.52	375.97	3.27	-63.25
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)COCC[NH+](C)C	REAL300029249510	0	48	0.0	-66.80	367.79	3.23	-63.57
CCCCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029249518	0	56	0.0	-75.99	416.54	5.84	-70.15
CCCCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029249518	1	56	0.0	-71.43	420.53	6.13	-65.30
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300029249532	0	52	0.0	-68.37	391.33	4.48	-63.89
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1C=CSC1=[NH2+]	REAL300029249559	0	41	0.0	-63.72	342.98	2.72	-61.00
C[C@@H](OCC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029249658	0	51	0.0	-66.10	387.06	4.12	-61.98
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1(C2(O)CC[NH+](C)CC2)CC1	REAL300029249662	0	56	0.0	-67.56	402.91	2.74	-64.82
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCCCCC1	REAL300029249738	0	54	0.0	-70.91	390.30	5.35	-65.56
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCCCC1	REAL300029249744	0	48	0.0	-67.01	353.63	4.13	-62.88
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@H+](C)C1	REAL300029249746	0	48	0.0	-67.90	351.57	3.69	-64.21
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@@H+](C)C1	REAL300029249746	1	48	0.0	-62.61	346.70	4.02	-58.59
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCC(CO)CC1	REAL300029249748	0	52	0.0	-75.71	385.76	1.53	-74.18
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCCCCC1	REAL300029249754	0	51	0.0	-67.01	362.88	4.33	-62.68
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N+]1=CN(C)C=C1	REAL300029249761	0	43	0.0	-65.76	347.14	6.05	-59.71
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300029249782	1	48	0.0	-68.39	376.31	4.24	-64.15
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C[NH+](C)C)N=C1	REAL300029249791	0	50	0.0	-68.62	386.17	4.02	-64.60
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCC(O)CC1	REAL300029249807	0	49	0.0	-71.78	364.74	0.78	-71.00
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)C1CC1	REAL300029249815	0	45	0.0	-65.37	341.32	3.68	-61.69
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)C1CC1	REAL300029249815	1	45	0.0	-64.68	341.18	3.68	-61.00
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)N1CC[NH+](C)CC1	REAL300029249817	1	53	0.0	-68.96	393.18	2.54	-66.42
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@@H+]1CCC(F)C1	REAL300029249825	0	48	0.0	-74.17	370.51	4.39	-69.78
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@H+]1CCC(F)C1	REAL300029249825	1	48	0.0	-73.23	370.18	4.40	-68.83
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300029249859	0	54	0.0	-70.15	412.34	6.28	-63.87
CC(CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)C[NH+](C)C	REAL300029249865	0	50	0.0	-70.35	368.94	4.31	-66.04
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@@H+]2CCOCC12	REAL300029249890	0	50	0.0	-65.79	367.47	2.85	-62.94
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@H+]2CCOCC12	REAL300029249890	1	50	0.0	-69.54	368.51	2.49	-67.05
CC1=[NH+]C=C2C=CC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C)=CN21	REAL300029249899	0	46	0.0	-62.62	363.77	5.37	-57.25
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1COCC[N@@H+]1C	REAL300029249924	1	49	0.0	-65.56	359.45	2.40	-63.16
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1COCC[N@H+]1C	REAL300029249924	1	49	0.0	-73.58	366.62	2.46	-71.12
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(C[NH+](C)C)C1=CC=CC=C1	REAL300029249933	0	54	0.0	-66.38	412.03	6.44	-59.94
CC[NH+]1CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300029249938	0	53	0.0	-67.45	392.97	2.84	-64.61
CC1=CC(N)=[NH+]C=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029250004	1	44	0.0	-64.85	347.96	1.90	-62.95
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1=CC=C(N)[NH+]=C1	REAL300029250007	0	47	0.0	-65.13	370.93	2.83	-62.30
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300029250068	0	49	0.0	-68.05	368.22	0.69	-67.36
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+]1CCC(C)(O)C1	REAL300029250068	1	49	0.0	-67.64	368.32	0.67	-66.97
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=NN1CC[NH+](C)C	REAL300029250078	0	51	0.0	-67.43	393.03	3.77	-63.66
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1C[NH+](C)C1	REAL300029250114	0	45	0.0	-68.86	343.47	3.18	-65.68
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@@H+]1C1CCCC1	REAL300029250120	0	52	0.0	-70.63	380.74	5.13	-65.50
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@H+]1C1CCCC1	REAL300029250120	1	52	0.0	-65.96	379.88	5.02	-60.94
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@H+](C)CCO	REAL300029250175	0	48	0.0	-69.65	366.38	0.60	-69.05
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@@H+](C)CCO	REAL300029250175	1	48	0.0	-68.48	362.28	0.33	-68.15
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300029250176	0	44	0.0	-65.49	328.57	2.72	-62.77
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CCCC[N@@H+]1C	REAL300029250198	0	51	0.0	-62.42	367.99	4.79	-57.63
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CCCC[N@H+]1C	REAL300029250198	1	51	0.0	-70.12	374.75	4.80	-65.32
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C)C=CN2C=[NH+]1	REAL300029250226	1	46	0.0	-66.47	363.67	6.02	-60.45
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1CC(C)C1	REAL300029250227	0	48	0.0	-64.12	358.23	3.76	-60.36
CC1CC[N@@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029250232	1	45	0.0	-66.07	342.10	3.48	-62.59
CC1CC[N@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029250232	1	45	0.0	-67.08	347.55	3.75	-63.33
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=CC[NH+](C)C	REAL300029250248	0	45	0.0	-70.98	348.02	3.53	-67.45
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CC(C)(C)C1	REAL300029250265	1	48	0.0	-68.49	366.63	4.24	-64.25
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCC[NH+]1CCCCC1	REAL300029250280	0	57	0.0	-68.90	422.82	6.71	-62.19
CC1=C(C)[NH+]=C(CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)N1	REAL300029250295	1	49	0.0	-62.82	382.29	3.63	-59.19
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=C(C[N@H+](C)CC2)S1	REAL300029250296	1	49	0.0	-71.49	386.53	5.23	-66.26
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=C(C[N@@H+](C)CC2)S1	REAL300029250296	1	49	0.0	-70.30	383.00	5.12	-65.18
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1(C2CC[NH+](C)CC2)CC1	REAL300029250307	0	55	0.0	-65.44	397.60	5.59	-59.85
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C)C=CN2C=[NH+]1	REAL300029250317	1	46	0.0	-66.47	363.67	6.02	-60.45
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CSCC[NH+](C)C	REAL300029250331	0	48	0.0	-70.87	378.81	4.30	-66.57
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[N@H+](C)CC1=CC=CC=C1	REAL300029250351	0	54	0.0	-68.53	407.84	6.48	-62.05
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[N@@H+](C)CC1=CC=CC=C1	REAL300029250351	1	54	0.0	-70.93	403.93	6.22	-64.71
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=C(CCCC2)[NH+]=C1N	REAL300029250355	1	51	0.0	-58.21	387.68	3.99	-54.22
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CCCC1CO	REAL300029250363	0	49	0.0	-67.46	365.49	0.64	-66.82
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+]1CCCC1CO	REAL300029250363	1	49	0.0	-64.13	361.90	1.12	-63.01
CC[NH+](CC)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029250366	0	47	0.0	-65.56	347.54	3.61	-61.95
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)C1CCSC1	REAL300029250383	0	49	0.0	-77.68	371.22	4.52	-73.16
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)C1CCSC1	REAL300029250383	1	49	0.0	-73.68	375.40	4.77	-68.91
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCC1	REAL300029250385	1	42	0.0	-68.67	326.52	3.14	-65.53
CC[NH+](CC)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029250435	0	50	0.0	-67.66	369.17	4.24	-63.42
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCC(C(N)=O)CC1	REAL300029250457	0	52	0.0	-80.30	389.56	0.81	-79.49
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(C[NH+](C)C)=CN1	REAL300029250509	0	49	0.0	-68.94	381.19	4.10	-64.84
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1CCC(O)CC1	REAL300029250530	0	52	0.0	-67.98	384.55	1.50	-66.48
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2COCC[N@@H+]2C1	REAL300029250537	0	50	0.0	-66.44	367.15	2.50	-63.94
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2COCC[N@H+]2C1	REAL300029250537	1	50	0.0	-67.36	371.13	2.91	-64.45
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1CCC1	REAL300029250555	0	45	0.0	-64.34	334.98	3.04	-61.30
CCC(CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)C[NH+](C)C	REAL300029250568	0	53	0.0	-69.25	383.06	4.98	-64.27
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=CC1=CC=C(N)[NH+]=C1	REAL300029250575	0	45	0.0	-67.68	358.16	2.51	-65.17
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC(C1=CC=CC=C1)[NH+](C)C	REAL300029250614	0	54	0.0	-72.46	405.70	6.65	-65.81
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CCCC[N@@H+]1C	REAL300029250650	0	48	0.0	-67.73	352.43	3.88	-63.85
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CCCC[N@H+]1C	REAL300029250650	1	48	0.0	-66.12	345.48	3.61	-62.51
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@@H+]2CCN1CC2C	REAL300029250665	0	51	0.0	-68.99	360.48	0.94	-68.05
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@H+]2CCN1CC2C	REAL300029250665	1	51	0.0	-69.76	365.07	1.25	-68.51
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC(O)C[NH+](C)C	REAL300029250695	0	48	0.0	-71.85	364.33	1.24	-70.61
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCC(C1)[NH+]2C	REAL300029250698	0	52	0.0	-66.52	355.84	3.99	-62.53
C#CC1(O)CC[NH+](C(C)C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300029250738	0	54	0.0	-67.25	400.37	2.09	-65.16
C=CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300029250750	0	48	0.0	-63.30	352.21	3.64	-59.66
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCCC[N@@H+]2C1	REAL300029250763	0	52	0.0	-65.67	375.50	4.89	-60.78
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCCC[N@H+]2C1	REAL300029250763	1	52	0.0	-64.71	374.96	4.86	-59.85
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1(O)CC[NH+](C)CC1	REAL300029250782	0	52	0.0	-70.35	386.85	3.08	-67.27
COCC[N@@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029250800	0	55	0.0	-67.25	400.90	3.63	-63.62
COCC[N@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029250800	1	55	0.0	-67.74	404.25	3.49	-64.25
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC2CCC(C1)[NH+]2C	REAL300029250810	0	55	0.0	-66.74	377.57	4.77	-61.97
CC1CN(C(=O)C2=CC=NN2CC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029250852	0	51	0.0	-68.11	393.55	3.78	-64.33
CC1CN(C(=O)C2=CC3=C(C[N@H+](C)CC3)S2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029250894	1	49	0.0	-70.92	382.24	4.91	-66.01
CC1CN(C(=O)C2=CC3=C(C[N@@H+](C)CC3)S2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029250894	1	49	0.0	-71.55	382.42	4.97	-66.58
CC1CN(C(=O)C2(C3CC[NH+](C)CC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029250906	0	55	0.0	-74.33	399.44	5.77	-68.56
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C(C)C3)C=CN2C=[NH+]1	REAL300029250919	1	46	0.0	-67.44	372.68	6.54	-60.90
CC1CN(C(=O)CSCC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029250934	0	48	0.0	-72.12	378.81	4.28	-67.84
CC1CN(C(=O)C2CC3COCC[N@@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029250946	0	50	0.0	-69.56	366.47	2.40	-67.16
CC1CN(C(=O)C2CC3COCC[N@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029250946	1	50	0.0	-70.13	369.79	2.79	-67.34
C[NH+](C)CC(=O)NCC1=CN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)N=N1	REAL300029251066	0	50	0.0	-70.26	398.85	1.38	-68.88
C[C@@H](C(=O)NCC1=CN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)N=N1)[NH+](C)C	REAL300029251072	0	53	0.0	-68.16	416.28	1.69	-66.47
C[C@@H](C(=O)NCC1=CN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)N=N1)[NH+](C)C	REAL300029251085	0	53	0.0	-68.16	416.28	1.69	-66.47
C[C@H](C(=O)NCC1=CN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)N=N1)[NH+](C)C	REAL300029251098	0	53	0.0	-68.20	416.27	1.78	-66.42
CC[N@H+](C)CC(=O)NCC1=CN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)N=N1	REAL300029251110	0	53	0.0	-69.43	416.59	2.05	-67.38
CC[N@@H+](C)CC(=O)NCC1=CN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)N=N1	REAL300029251110	1	53	0.0	-69.39	416.58	2.05	-67.34
C[C@@H](C(=O)N1CCC(N2C=C(CNC(=O)C3=CC(=O)[N-]O3)N=N2)CC1)[NH+](C)C	REAL300029251298	0	53	0.0	-74.13	418.11	1.90	-72.23
CC[N@H+](C)CC(=O)N1CCC(N2C=C(CNC(=O)C3=CC(=O)[N-]O3)N=N2)CC1	REAL300029251319	0	53	0.0	-79.63	419.43	2.18	-77.45
CC[N@@H+](C)CC(=O)N1CCC(N2C=C(CNC(=O)C3=CC(=O)[N-]O3)N=N2)CC1	REAL300029251319	1	53	0.0	-81.58	419.47	2.18	-79.40
C[C@H](C(=O)N1CCC(N2C=C(CNC(=O)C3=CC(=O)[N-]O3)N=N2)CC1)[NH+](C)C	REAL300029251333	0	53	0.0	-79.07	417.72	1.84	-77.23
C[NH+](C)CC(=O)N1CCC(N2C=C(CNC(=O)C3=CC(=O)[N-]O3)N=N2)CC1	REAL300029251395	0	50	0.0	-81.98	401.73	1.52	-80.46
C[C@@H](C(=O)N1CCC(N2C=C(CNC(=O)C3=CC(=O)[N-]O3)N=N2)CC1)[NH+](C)C	REAL300029251398	0	53	0.0	-74.13	418.11	1.90	-72.23
O=C(C[NH+]1CCC1)N1CCC(N2C=C(CNC(=O)C3=CC(=O)[N-]O3)N=N2)CC1	REAL300029251405	1	51	0.0	-76.83	411.81	1.92	-74.91
C[N@@H+]1CCCC1C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029251582	0	48	0.0	-51.31	345.85	2.35	-48.96
C[N@H+]1CCCC1C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029251582	1	48	0.0	-63.57	352.40	2.43	-61.14
CC(C)C1=[NH+]C=CN1CCC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029251784	1	55	0.0	-57.32	418.12	5.16	-52.16
CC(C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300029251788	0	57	0.0	-57.26	401.54	4.45	-52.81
CC(C)[N@@H+]1CCCC1C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029251819	0	54	0.0	-61.77	380.25	3.89	-57.88
CC(C)[N@H+]1CCCC1C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029251819	1	54	0.0	-64.82	377.38	4.33	-60.49
CC1(NC(=O)C2CC3CCCC[N@@H+]3C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029251841	0	55	0.0	-65.33	399.90	4.65	-60.68
CC1(NC(=O)C2CC3CCCC[N@H+]3C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029251841	1	55	0.0	-66.08	399.93	4.61	-61.47
CC(C)C1=[NH+]C=CN1CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029251869	1	52	0.0	-55.09	387.84	4.65	-50.44
CC1=[NH+]C=CN1CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029251913	1	46	0.0	-55.06	359.91	3.61	-51.45
CC(C[NH+]1CCOCC1)C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029251915	1	55	0.0	-62.25	404.01	2.73	-59.52
CC1(NC(=O)CCC[NH+]2CCCCC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029251933	0	57	0.0	-62.60	417.74	5.20	-57.40
CC1(NC(=O)C2C[NH+]3CCC2CC3)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029251974	0	52	0.0	-55.81	371.37	3.80	-52.01
CC1(NC(=O)C2CCCC3CCC[N@@H+]32)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029252027	0	55	0.0	-54.61	389.08	4.45	-50.16
CC1(NC(=O)C2CCCC3CCC[N@H+]32)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029252027	1	55	0.0	-57.74	380.99	4.28	-53.46
C[NH+](C)CCN1C=C(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300029252029	0	54	0.0	-72.21	416.99	3.53	-68.68
C[NH+](C)CCN1C=CC(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029252042	0	54	0.0	-76.31	417.39	3.54	-72.77
C[C@@H]1[C@H](C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029252049	0	51	0.0	-59.77	355.13	3.42	-56.35
C[C@@H]1[C@H](C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029252049	1	51	0.0	-64.94	374.77	3.31	-61.63
CCC1=[NH+]C=CN1C(C)CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029252051	1	55	0.0	-57.79	418.65	5.22	-52.57
CC[C@@H]1[C@@H](C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029252054	0	54	0.0	-65.78	385.83	3.69	-62.09
CC[C@@H]1[C@@H](C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029252054	1	54	0.0	-57.27	394.10	3.94	-53.33
CC[N@@H+]1CCOC(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029252076	1	52	0.0	-61.74	382.20	3.07	-58.67
CC[N@H+]1CCOC(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029252076	1	52	0.0	-62.49	387.64	2.87	-59.62
CC[NH+](CC)CC(F)C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029252124	0	53	0.0	-65.98	391.39	3.64	-62.34
CC1CCC(C)[NH+]1CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029252209	0	54	0.0	-54.74	389.87	3.78	-50.96
CC1(NC(=O)CCC[NH+]2CCCC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029252216	0	54	0.0	-62.24	402.52	4.54	-57.70
C[NH+](C)CC1=CC=CC(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029252217	0	54	0.0	-65.85	410.84	5.50	-60.35
C#CC[NH+]1CCC(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029252222	0	53	0.0	-65.32	401.95	4.83	-60.49
CC1(NC(=O)CC[NH+]2CCCCC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029252223	0	54	0.0	-60.83	396.70	4.43	-56.40
CC(C)C[N@@H+]1CCC(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029252257	0	57	0.0	-59.06	418.39	4.88	-54.18
CC(C)C[N@H+]1CCC(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029252257	1	57	0.0	-60.23	418.75	4.98	-55.25
CC(C)[N@@H+]1CCCC1CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029252266	0	57	0.0	-60.30	404.87	4.20	-56.10
CC(C)[N@H+]1CCCC1CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029252266	1	57	0.0	-56.45	401.91	4.16	-52.29
C[N@H+](CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029252335	0	51	0.0	-57.19	378.71	3.89	-53.30
C[N@@H+](CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029252335	1	51	0.0	-57.89	378.82	3.99	-53.90
CC(C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300029252402	0	57	0.0	-55.06	401.11	4.09	-50.97
CN(CCC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300029252470	0	53	0.0	-66.15	407.17	3.66	-62.49
C[N@@H+]1CCCC1CCC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029252490	0	54	0.0	-66.70	400.10	4.52	-62.18
C[N@H+]1CCCC1CCC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029252490	1	54	0.0	-59.57	396.48	4.34	-55.23
CC1(NC(=O)C2CCC3CCCC[N@@H+]32)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029252506	0	55	0.0	-54.30	400.01	4.94	-49.36
CC1(NC(=O)C2CCC3CCCC[N@H+]32)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029252506	1	55	0.0	-56.69	400.24	4.90	-51.79
CC1(NC(=O)CCCC[NH+]2CCCC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029252531	0	57	0.0	-64.79	424.03	5.32	-59.47
C[N@H+](CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029252534	1	54	0.0	-61.43	409.36	5.61	-55.82
C[N@@H+](CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029252534	1	54	0.0	-60.53	409.19	5.51	-55.02
C[NH+]1CCC(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029252549	0	51	0.0	-68.26	377.06	3.58	-64.68
C[NH+](C)CC1=CC(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300029252589	1	50	0.0	-70.95	391.81	3.04	-67.91
CC1=C(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300029252591	0	49	0.0	-72.64	384.63	5.74	-66.90
CC1(NC(=O)C2=CN3C=[NH+]C=C3C=C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029252779	0	46	0.0	-64.46	362.64	5.42	-59.04
CC1=[NH+]C=CN1CCCC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029252792	1	52	0.0	-59.59	403.67	4.92	-54.67
CC1(NC(=O)CCCC[NH+]2CCOCC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029252796	1	58	0.0	-67.80	430.96	3.59	-64.21
C[NH+](C)CC1=CC=C(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300029252800	0	54	0.0	-72.03	410.87	5.49	-66.54
CC1(NC(=O)CC[NH+]2CCOCC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029252801	1	52	0.0	-64.23	387.96	2.01	-62.22
CCC[NH+](CCC)CCCC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029252820	0	62	0.0	-63.43	450.22	5.84	-57.59
CC1=C[NH+]=CN1CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029252838	1	46	0.0	-62.33	360.39	4.34	-57.99
CC1(NC(=O)CN2C=[NH+]C3=C2CCCC3)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029252849	1	53	0.0	-62.87	402.88	6.07	-56.80
C[NH+](C)CC1(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CCCCC1	REAL300029252881	0	60	0.0	-77.08	403.48	5.21	-71.87
C[N@H+](CCC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300029252885	0	60	0.0	-60.23	430.90	5.49	-54.74
C[N@@H+](CCC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300029252885	1	60	0.0	-61.80	430.90	5.48	-56.32
C[NH+](C)C1CCCC(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029252926	0	57	0.0	-56.13	397.69	4.34	-51.79
C[N@@H+]1CCC(CC(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029252931	0	51	0.0	-62.31	379.17	3.62	-58.69
C[N@H+]1CCC(CC(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029252931	1	51	0.0	-60.98	378.88	3.54	-57.44
CCC(C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029252948	0	50	0.0	-55.10	360.76	3.06	-52.04
C[NH+](C)C1(CC(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029252966	0	57	0.0	-63.84	392.71	4.29	-59.55
CC1(NC(=O)C2=CC3=C[NH+]=CN3C=C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029253019	1	46	0.0	-68.78	362.91	5.44	-63.34
CC1(NC(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029253056	1	49	0.0	-78.41	392.38	3.47	-74.94
C[NH+](C)CCCCC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029253083	0	53	0.0	-66.38	398.06	4.14	-62.24
CCC[N@H+](C)CCC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029253102	0	53	0.0	-60.99	394.08	3.87	-57.12
CCC[N@@H+](C)CCC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029253102	1	53	0.0	-61.36	394.08	3.86	-57.50
CCC[N@H+](C)CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029253106	0	50	0.0	-58.45	371.93	3.43	-55.02
CCC[N@@H+](C)CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029253106	1	50	0.0	-57.70	371.71	3.34	-54.36
CC1(NC(=O)C23CC[N@H+](C2)CCC3)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029253129	0	52	0.0	-65.92	373.94	3.37	-62.55
CC1(NC(=O)C23CC[N@@H+](C2)CCC3)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029253129	1	52	0.0	-65.61	374.39	3.25	-62.36
C[N@@H+]1CCC[C@@H]1C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029253182	0	48	0.0	-63.72	352.31	2.56	-61.16
C[N@H+]1CCC[C@@H]1C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029253182	1	48	0.0	-56.44	358.63	3.06	-53.38
CC1CC2CCC(C(=O)NC3(C)CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300029253206	0	58	0.0	-58.03	420.90	5.37	-52.66
CC1CC2CCC(C(=O)NC3(C)CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300029253206	1	58	0.0	-56.04	414.67	5.57	-50.47
CCCCCC[N@H+](C)CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029253248	0	59	0.0	-59.37	436.43	5.77	-53.60
CCCCCC[N@@H+](C)CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029253248	1	59	0.0	-58.61	436.21	5.68	-52.93
CC[NH+](CC)CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029253264	0	50	0.0	-55.93	367.77	3.24	-52.69
CCC[N@@H+]1CCCC(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029253291	0	57	0.0	-57.04	409.98	5.13	-51.91
CCC[N@H+]1CCCC(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029253291	1	57	0.0	-59.10	416.22	4.95	-54.15
CC(C)[N@@H+]1CCOC(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029253307	1	55	0.0	-71.85	404.69	3.50	-68.35
CC(C)[N@H+]1CCOC(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029253307	1	55	0.0	-61.72	404.26	3.37	-58.35
CC1CC[NH+](CC(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029253344	0	54	0.0	-57.39	395.00	4.39	-53.00
CC1(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029253369	1	49	0.0	-73.58	391.98	3.46	-70.12
C[NH+]1CCC(OCC(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029253376	0	55	0.0	-71.81	412.44	3.87	-67.94
C[NH+](C)CC1(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029253391	0	51	0.0	-49.03	371.99	3.98	-45.05
CC1=[NH+]C=C2CCC(C(=O)NC3(C)CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300029253392	1	53	0.0	-58.23	400.34	4.73	-53.50
CC(C)[NH+]1CCC(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029253477	0	57	0.0	-60.67	411.60	4.87	-55.80
C[NH+]1CCC(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029253502	0	51	0.0	-68.26	377.06	3.58	-64.68
CCC(C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029253538	0	56	0.0	-53.52	396.00	4.39	-49.13
CC[N@H+](C)CCC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029253624	0	50	0.0	-61.65	372.80	3.22	-58.43
CC[N@@H+](C)CCC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029253624	1	50	0.0	-61.43	372.79	3.23	-58.20
CC1CCC[N@@H+]1CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029253684	0	51	0.0	-56.71	371.45	3.40	-53.31
CC1CCC[N@H+]1CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029253684	1	51	0.0	-56.79	378.06	3.80	-52.99
CC1CC[N@H+](CC(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029253686	0	51	0.0	-57.58	378.76	3.75	-53.83
CC1CC[N@@H+](CC(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029253686	1	51	0.0	-57.92	377.91	3.77	-54.15
CC(C)(C)[N@@H+]1CCC(F)(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029253687	0	57	0.0	-63.70	414.35	4.24	-59.46
CC(C)(C)[N@H+]1CCC(F)(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029253687	1	57	0.0	-51.89	414.46	4.19	-47.70
CC1=[NH+]C=C2CC(C(=O)NC3(C)CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300029253688	1	53	0.0	-59.11	401.95	4.76	-54.35
CC1(C)CC[N@H+](CC(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029253691	0	54	0.0	-57.90	397.86	4.27	-53.63
CC1(C)CC[N@@H+](CC(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029253691	1	54	0.0	-56.88	397.75	4.13	-52.75
C[N@H+](CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029253692	0	56	0.0	-57.04	400.32	4.34	-52.70
C[N@@H+](CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029253692	1	56	0.0	-57.26	402.70	4.58	-52.68
CC[C@@H](C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029253701	0	50	0.0	-56.56	360.44	3.06	-53.50
CC(COCC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300029253708	0	58	0.0	-58.68	431.28	4.63	-54.05
CC1(NC(=O)C2CC[NH+](CC3CC3)CC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029253785	0	58	0.0	-66.91	426.22	5.78	-61.13
C[NH+]1CCC(O)(CC(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029253910	0	55	0.0	-56.76	400.34	2.28	-54.48
COCC[N@@H+]1CCCC1CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029253916	0	58	0.0	-58.35	428.29	3.65	-54.70
COCC[N@H+]1CCCC1CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029253916	1	58	0.0	-60.08	430.76	3.32	-56.76
C[NH+](C)CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029253923	0	44	0.0	-59.23	332.70	2.01	-57.22
CC1(NC(=O)C[NH+]2CCC(CO)CC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029253927	0	55	0.0	-59.66	405.87	1.11	-58.55
CC1(NC(=O)C[NH+]2CCCCCC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029253931	0	54	0.0	-59.56	383.57	3.97	-55.59
CN1C=C[N+](CC(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029253936	0	46	0.0	-55.47	363.93	5.52	-49.95
C[N@@H+]1CCCC(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029253946	0	51	0.0	-51.43	363.96	3.53	-47.90
C[N@H+]1CCCC(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029253946	1	51	0.0	-51.37	364.02	3.52	-47.85
CC1(NC(=O)C2CCC[N@@H+]2C2CC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029253951	0	52	0.0	-64.00	377.76	4.49	-59.51
CC1(NC(=O)C2CCC[N@H+]2C2CC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029253951	1	52	0.0	-65.20	371.11	4.27	-60.93
CC(C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029253981	1	48	0.0	-55.34	360.08	3.01	-52.33
CCC(CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029253990	0	56	0.0	-62.62	403.94	4.40	-58.22
CC1(NC(=O)C[NH+]2CCC(O)CC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254035	1	52	0.0	-62.55	385.28	0.45	-62.10
C[N@H+](CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029254037	0	48	0.0	-56.29	361.74	3.32	-52.97
C[N@@H+](CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029254037	1	48	0.0	-55.43	361.89	3.33	-52.10
CC(C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300029254038	1	56	0.0	-65.96	403.64	1.82	-64.14
C[NH+]1CC(CC(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029254061	0	48	0.0	-64.70	364.14	2.83	-61.87
CC1(NC(=O)C2CC[N@@H+]2C2CCCC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254065	0	55	0.0	-58.38	389.17	4.31	-54.07
CC1(NC(=O)C2CC[N@H+]2C2CCCC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254065	1	55	0.0	-56.80	395.73	4.45	-52.35
CC(C)(C)[N@@H+]1CCC1C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254072	0	54	0.0	-58.23	391.37	3.71	-54.52
CC(C)(C)[N@H+]1CCC1C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254072	1	54	0.0	-52.48	361.65	3.19	-49.29
CC1(NC(=O)C2CCN(C3=CC=[NH+]C=C3)C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254082	0	54	0.0	-65.33	410.91	2.70	-62.63
C[C@@H](C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029254085	0	47	0.0	-54.28	348.95	2.33	-51.95
CCC1CCC[N@H+](CC(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029254129	0	57	0.0	-58.39	413.60	5.14	-53.25
CCC1CCC[N@@H+](CC(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029254129	1	57	0.0	-58.82	406.68	5.10	-53.72
C[NH+](C)CC1=CC=C(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029254137	0	52	0.0	-72.14	399.53	3.18	-68.96
C[NH+]1C2CCC1CC(CC(=O)NC1(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029254149	0	58	0.0	-70.53	398.30	4.42	-66.11
CC1(NC(=O)CN2C=CSC2=[NH2+])CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254188	0	44	0.0	-57.29	359.55	2.10	-55.19
C[N@H+](CCO)CCC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254198	0	51	0.0	-60.31	383.15	0.01	-60.30
C[N@@H+](CCO)CCC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254198	1	51	0.0	-59.25	382.84	-0.13	-59.38
C[C@@H](C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029254199	0	47	0.0	-54.28	348.95	2.33	-51.95
C[N@@H+]1CCCC[C@@H]1C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254203	0	51	0.0	-60.17	357.01	3.20	-56.97
C[N@H+]1CCCC[C@@H]1C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254203	1	51	0.0	-62.56	375.28	3.55	-59.01
CC1CN2CC[N@@H+]1CC2C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254210	0	54	0.0	-72.18	385.51	0.95	-71.23
CC1CN2CC[N@H+]1CC2C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254210	1	54	0.0	-52.63	383.98	0.89	-51.74
CC1(NC(=O)CC2=CC3=C[NH+]=CN3C=C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254267	0	49	0.0	-63.47	387.10	6.19	-57.28
C[N@H+](CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029254295	0	52	0.0	-66.48	391.96	4.14	-62.34
C[N@@H+](CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029254295	1	52	0.0	-64.97	391.97	4.25	-60.72
CC1(NC(=O)C[NH+]2CCC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254296	1	45	0.0	-58.77	342.80	2.43	-56.34
C[NH+](C)CC1=CC(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC=N1	REAL300029254328	1	53	0.0	-62.96	406.83	4.04	-58.92
C[N@@H+]1CCC(=CC(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029254329	0	49	0.0	-65.78	370.34	3.47	-62.31
C[N@H+]1CCC(=CC(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029254329	1	49	0.0	-65.16	371.56	3.56	-61.60
CC1(NC(=O)C2C[NH+](C3CCCCC3)C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254353	0	58	0.0	-64.31	424.96	5.38	-58.93
C[NH+](C)CCOCC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254366	0	51	0.0	-60.29	388.57	2.93	-57.36
CCCCC[N@H+](C)CCC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254373	0	59	0.0	-61.69	437.08	5.43	-56.26
CCCCC[N@@H+](C)CCC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254373	1	59	0.0	-62.62	437.29	5.52	-57.10
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029254382	0	55	0.0	-64.90	411.58	3.83	-61.07
C=CCC(C)(C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029254394	0	54	0.0	-54.38	387.27	3.95	-50.43
C[S+](C)CCC(O)C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254399	0	50	0.0	-74.42	397.54	1.53	-72.89
CN1CC[N@H+](C)CC(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029254442	0	56	0.0	-59.43	402.51	2.05	-57.38
CN1CC[N@@H+](C)CC(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029254442	1	56	0.0	-59.43	402.51	2.05	-57.38
CC(C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300029254443	0	55	0.0	-54.41	397.35	1.10	-53.31
C[N@@H+]1CCCC(O)(CC(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029254467	0	55	0.0	-50.90	402.68	2.11	-48.79
C[N@H+]1CCCC(O)(CC(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029254467	1	55	0.0	-50.90	402.68	2.11	-48.79
CC1CN(CC(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029254471	0	48	0.0	-57.80	362.57	3.07	-54.73
CC1C[NH+](CC(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029254471	1	48	0.0	-57.80	362.57	3.07	-54.73
CN(CCO)CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254499	0	48	0.0	-57.16	360.57	-0.65	-57.81
C[N@H+](CCO)CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254499	1	48	0.0	-56.92	360.27	-0.68	-57.60
C[N@@H+](CCO)CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254499	1	48	0.0	-56.92	360.27	-0.68	-57.60
C[NH+]1C2CCC1CC(=CC(=O)NC1(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029254518	0	56	0.0	-64.25	405.72	4.86	-59.39
CC1(NC(=O)C2C[N@@H+]3CCN2CCC3)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254522	0	54	0.0	-75.61	379.29	1.68	-73.93
CC1(NC(=O)C2C[N@H+]3CCN2CCC3)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254522	1	54	0.0	-75.61	379.29	1.68	-73.93
CC[N@@H+]1CCCC(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029254529	0	54	0.0	-61.26	394.61	4.18	-57.08
CC[N@H+]1CCCC(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029254529	1	54	0.0	-61.26	394.61	4.18	-57.08
CC(CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029254531	0	53	0.0	-62.87	389.88	4.01	-58.86
CC[N@H+](C)CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254546	0	47	0.0	-57.55	350.21	2.59	-54.96
CC[N@H+](CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029254601	0	51	0.0	-56.34	378.63	4.00	-52.34
CC[NH+](CC)CCC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254620	0	53	0.0	-59.66	385.73	3.54	-56.12
CC1(C)CN(CC(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029254651	0	51	0.0	-59.07	383.30	3.63	-55.44
CC1(C)C[NH+](CC(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029254651	1	51	0.0	-59.07	383.30	3.63	-55.44
CC1(NC(=O)CCCC[NH+]2CCCCC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254657	0	60	0.0	-64.53	439.24	6.00	-58.53
CC1(O)CC[N@H+](CC(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029254685	0	52	0.0	-57.26	389.04	0.43	-56.83
C[NH+](C)CC=CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254695	0	48	0.0	-68.03	369.91	3.26	-64.77
CC(OCC[NH+](C)C)C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254715	0	54	0.0	-56.76	408.38	3.58	-53.18
C[NH+](C)CCOCCC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254726	0	54	0.0	-67.06	409.55	2.74	-64.32
COCCN(C)CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254727	0	51	0.0	-56.22	382.53	1.72	-54.50
COCC[N@H+](C)CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254727	1	51	0.0	-56.95	382.82	1.75	-55.20
COCC[N@@H+](C)CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254727	1	51	0.0	-56.95	382.82	1.75	-55.20
COCCCC[N@H+](C)CCC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254754	0	60	0.0	-65.29	449.46	3.81	-61.48
COCCCC[N@@H+](C)CCC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254754	1	60	0.0	-65.29	449.46	3.81	-61.48
CC(CCC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029254777	0	53	0.0	-62.31	388.98	3.63	-58.68
CCN1CCC1C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254787	0	48	0.0	-57.13	357.24	2.61	-54.52
CC[N@@H+]1CCC1C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254787	1	48	0.0	-58.25	364.10	2.95	-55.30
CC[N@H+]1CCC1C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254787	1	48	0.0	-58.25	364.10	2.95	-55.30
CC(C)[N@@H+]1CCCC(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029254799	0	57	0.0	-50.79	397.27	4.76	-46.03
CC(C)[N@H+]1CCCC(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029254799	1	57	0.0	-50.79	397.27	4.76	-46.03
CC1(NC(=O)C[N@@H+]2CCCC2CO)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254813	0	52	0.0	-57.62	387.61	0.58	-57.04
CC1(NC(=O)C2CC3CCCC[N@@H+]3C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254835	0	55	0.0	-66.08	399.93	4.61	-61.47
CC1(NC(=O)C2CC3CCCC[N@H+]3C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254835	1	55	0.0	-66.08	399.93	4.61	-61.47
CC(C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300029254860	0	55	0.0	-57.67	402.49	0.86	-56.81
C=CCC(C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029254874	0	51	0.0	-53.56	378.23	3.61	-49.95
C[N@@H+]1CC(C)(C)CC1C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254886	0	54	0.0	-52.66	388.95	3.70	-48.96
C[N@H+]1CC(C)(C)CC1C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254886	1	54	0.0	-61.35	398.18	4.14	-57.21
C[NH+](C)CCCCCC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254891	0	56	0.0	-67.45	419.56	4.93	-62.52
CC1(NC(=O)C[NH+]2CC3CC3C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254902	0	49	0.0	-58.84	368.17	3.90	-54.94
CC1C[N@@H+]2CCN1C(C(=O)NC1(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029254935	0	54	0.0	-56.55	383.23	0.99	-55.56
CC1C[N@H+]2CCN1C(C(=O)NC1(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029254935	1	54	0.0	-56.05	383.27	0.96	-55.09
CCCC(C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029254936	0	53	0.0	-53.85	385.98	3.88	-49.97
CC[NH+](CC)CCSCC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254977	0	57	0.0	-66.72	430.26	4.94	-61.78
C[N@@H+]1CCCCC1C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254986	0	51	0.0	-60.14	357.97	3.06	-57.08
C[N@H+]1CCCCC1C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254986	1	51	0.0	-54.76	364.88	3.34	-51.42
C[N@H+]1CC=C(CC(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029255032	0	52	0.0	-63.02	391.87	4.33	-58.69
C[N@@H+]1CC=C(CC(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029255032	1	52	0.0	-61.80	391.50	4.22	-57.58
CC1(NC(=O)CC2([NH+]3CCCC3)CC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255040	0	55	0.0	-57.08	398.38	4.65	-52.43
CN(C)CC1=CC=C(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029255094	0	51	0.0	-73.17	395.96	3.62	-69.55
C[NH+](C)CC1=CC=C(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029255094	1	51	0.0	-73.17	395.96	3.62	-69.55
CC1(NC(=O)C=CC[NH+]2CCCC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255114	0	52	0.0	-66.07	394.98	4.43	-61.64
CC1(NC(=O)C2CC[NH+](C3CC3)CC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255137	0	55	0.0	-65.26	401.92	4.78	-60.48
CC1(NC(=O)CC[NH+]2CCCC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255159	0	51	0.0	-60.86	379.44	3.63	-57.23
CC1(NC(=O)C[N@@H+]2CC3CCC2C3)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255221	0	52	0.0	-56.10	379.05	4.13	-51.97
CC1(NC(=O)C[N@H+]2CC3CCC2C3)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255221	1	52	0.0	-56.10	379.05	4.13	-51.97
CC(C)[NH+]1CCC(CC(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029255232	0	60	0.0	-62.46	430.24	5.57	-56.89
CC1(NC(=O)C=C2C[NH+]3CCC2CC3)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255277	0	53	0.0	-60.09	388.62	4.30	-55.79
CC1(NC(=O)CN2CC3C=CC2C3)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255287	0	50	0.0	-54.54	371.83	3.89	-50.65
CC1(NC(=O)C[N@@H+]2CC3C=CC2C3)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255287	1	50	0.0	-53.83	371.34	3.79	-50.04
CC1(NC(=O)C[N@H+]2CC3C=CC2C3)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255287	1	50	0.0	-53.83	371.34	3.79	-50.04
CC(C[NH+](C)C)C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255337	0	50	0.0	-63.52	371.10	3.27	-60.25
C[N@@H+]1CCCCC1CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255425	0	54	0.0	-58.37	384.23	3.97	-54.40
C[N@H+]1CCCCC1CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255425	1	54	0.0	-58.37	384.23	3.97	-54.40
CC1=C2C=C(C(=O)NC3(C)CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=N1	REAL300029255443	0	49	0.0	-67.00	384.82	6.00	-61.00
CC1=C2C=C(C(=O)NC3(C)CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029255443	1	49	0.0	-67.00	384.82	6.00	-61.00
CC(C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)N1CC(C)C1	REAL300029255444	0	51	0.0	-58.00	381.46	3.67	-54.33
CC(C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300029255444	1	51	0.0	-58.00	381.46	3.67	-54.33
CC1CCN1CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255448	0	48	0.0	-57.03	358.59	2.86	-54.17
CC1CC[N@@H+]1CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255448	1	48	0.0	-58.44	363.87	3.02	-55.42
CC1CC[N@H+]1CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255448	1	48	0.0	-58.44	363.87	3.02	-55.42
C[NH+](C)CC(O)CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255452	0	51	0.0	-66.14	385.31	0.94	-65.20
CC1CN(C)CC(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029255484	0	52	0.0	-46.10	375.84	3.09	-43.01
CC1C[N@H+](C)CC(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029255484	1	52	0.0	-76.03	384.32	2.93	-73.10
CC1C[N@@H+](C)CC(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029255484	1	52	0.0	-76.03	384.32	2.93	-73.10
CC1(NC(=O)CC[NH+]2CCC(O)CC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255495	0	55	0.0	-64.52	407.33	1.06	-63.46
CCC[N@@H+]1CCCCC1C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255498	0	57	0.0	-60.39	414.14	4.96	-55.43
CCC[N@H+]1CCCCC1C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255498	1	57	0.0	-60.39	414.14	4.96	-55.43
CC[NH+]1CCN(CCC(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029255503	0	59	0.0	-62.34	431.31	2.66	-59.68
CCN1CC[NH+](CCC(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029255503	1	59	0.0	-62.34	431.31	2.66	-59.68
CC1(NC(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255506	0	58	0.0	-49.02	399.33	5.24	-43.78
CC1(NC(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255506	1	58	0.0	-49.02	399.33	5.24	-43.78
CC(C)C[NH+]1CCC(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029255549	0	60	0.0	-63.09	433.88	5.76	-57.33
C[NH+](C)C1CCN(CC(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029255568	0	59	0.0	-67.39	426.03	2.72	-64.67
C[NH+](C)[C@H]1C[C@H](C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029255589	0	51	0.0	-55.20	381.93	3.63	-51.57
CC(CC[NH+](C)C)C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255597	0	53	0.0	-63.29	392.74	3.90	-59.39
C[N@H+](CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029255626	0	55	0.0	-57.32	403.70	1.24	-56.08
C#CCN1CCCCC1C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255633	0	53	0.0	-54.48	390.54	4.63	-49.85
C#CC[N@H+]1CCCCC1C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255633	1	53	0.0	-53.76	390.27	4.56	-49.20
C#CC[N@@H+]1CCCCC1C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255633	1	53	0.0	-53.76	390.27	4.56	-49.20
CN1CCN(CC(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029255638	0	53	0.0	-66.20	391.72	1.52	-64.68
C[NH+]1CCN(CC(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029255638	1	53	0.0	-66.20	391.72	1.52	-64.68
CC1(NC(=O)CSC(N)=[NH2+])CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255673	0	42	0.0	-62.00	341.22	-1.11	-63.11
CCN1CCOCC1CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255716	0	55	0.0	-63.94	400.48	2.38	-61.56
CC[N@@H+]1CCOCC1CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255716	1	55	0.0	-61.37	400.19	2.39	-58.98
CC[N@H+]1CCOCC1CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255716	1	55	0.0	-63.94	400.48	2.38	-61.56
CC1CCCC(C)[NH+]1CCC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255732	0	60	0.0	-57.91	422.39	4.99	-52.92
C[NH+](C)C1CCC(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029255735	0	57	0.0	-66.43	411.52	4.85	-61.58
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029255739	0	57	0.0	-42.62	390.36	4.25	-38.37
C[N@@H+]1CC=CCC1CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255740	0	52	0.0	-64.83	383.15	3.98	-60.85
C[N@H+]1CC=CCC1CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255740	1	52	0.0	-48.45	378.96	3.99	-44.46
C[C@@H](OCC[NH+](C)C)C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255765	0	54	0.0	-56.84	408.39	3.58	-53.26
C[NH+]1C2CCC1CC(C(=O)NC1(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029255793	0	55	0.0	-66.87	367.42	4.11	-62.76
CC(C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300029255922	1	52	0.0	-57.81	387.19	3.98	-53.83
CC1(NC(=O)C2C[NH+](C3CCOCC3)C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255926	0	56	0.0	-66.71	416.15	2.99	-63.72
C[N@@H+]1CCC[C@H]1C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255936	0	48	0.0	-58.98	358.53	3.06	-55.92
C[N@H+]1CCC[C@H]1C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255936	1	48	0.0	-63.88	352.45	2.54	-61.34
CC1(NC(=O)CC[N@@H+]2CCC(F)C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255945	0	51	0.0	-63.70	387.06	3.72	-59.98
CC1(NC(=O)CC[N@H+]2CCC(F)C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255945	1	51	0.0	-61.28	387.07	3.81	-57.47
CC1(NC(=O)CC[NH+]2CCCCCC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255965	0	57	0.0	-60.27	406.50	4.53	-55.74
CC1(NC(=O)C[NH+]2CCCCC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255967	0	51	0.0	-57.67	374.22	3.79	-53.88
CC1C(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029255975	0	51	0.0	-66.49	370.20	3.23	-63.26
CC1C(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029255975	1	51	0.0	-66.37	370.38	3.23	-63.14
C[N@@H+]1CCCCC1CCC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255978	0	57	0.0	-63.19	414.14	4.93	-58.26
C[N@H+]1CCCCC1CCC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255978	1	57	0.0	-67.12	406.67	4.74	-62.38
CC1(NC(=O)C2CC[N@@H+]3CCOCC23)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029256008	0	53	0.0	-67.63	391.56	2.29	-65.34
CC1(NC(=O)C2CC[N@H+]3CCOCC23)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029256008	1	53	0.0	-59.56	378.29	2.46	-57.10
CC1=[NH+]C=C2C=CC(C(=O)NC3(C)CCCN(C(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300029256015	0	49	0.0	-61.93	384.28	5.30	-56.63
C[N@@H+]1CCOCC1CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029256035	1	52	0.0	-67.75	382.56	1.76	-65.99
C[N@H+]1CCOCC1CC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029256035	1	52	0.0	-62.21	375.84	1.69	-60.52
CC1=C(C)[NH+]=C(CCC(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029256046	1	52	0.0	-56.57	402.93	3.29	-53.28
CC1(NC(=O)C2CC[N@@H+]2CC2=CC=CC=C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029256057	1	55	0.0	-61.68	424.00	5.94	-55.74
CC1(NC(=O)C2CC[N@H+]2CC2=CC=CC=C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029256057	1	55	0.0	-54.66	415.22	5.59	-49.07
CC(C)C[N@@H+]1CCCC(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029256061	0	60	0.0	-52.37	419.59	5.67	-46.70
CC(C)C[N@H+]1CCCC(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029256061	1	60	0.0	-60.43	433.53	5.60	-54.83
C[N@@H+]1CCCC1C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029256225	0	48	0.0	-64.49	356.88	3.07	-61.42
C[N@H+]1CCCC1C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029256225	1	48	0.0	-62.25	358.97	3.09	-59.16
C[N@@H+]1CCOC(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029256251	1	49	0.0	-80.46	363.39	2.40	-78.06
C[N@H+]1CCOC(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029256251	1	49	0.0	-77.09	363.11	2.39	-74.70
CC1=[NH+]C=CN1CCCC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029256422	1	52	0.0	-65.29	408.06	5.26	-60.03
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300029256426	1	58	0.0	-71.30	435.32	3.94	-67.36
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300029256432	0	54	0.0	-85.10	414.15	5.37	-79.73
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC[NH+]2CCOCC2)C1	REAL300029256433	1	52	0.0	-69.91	392.37	2.37	-67.54
CCC[NH+](CCC)CCCC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029256458	0	62	0.0	-67.40	459.66	6.58	-60.82
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300029256475	0	52	0.0	-62.69	374.75	3.66	-59.03
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300029256493	1	46	0.0	-80.99	364.65	5.33	-75.66
C[NH+](C)C1CCCC(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029256567	0	57	0.0	-61.34	405.75	4.75	-56.59
C[N@@H+]1CCC(CC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029256572	0	51	0.0	-66.92	383.39	3.96	-62.96
C[N@H+]1CCC(CC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029256572	1	51	0.0	-66.89	383.41	3.98	-62.91
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029256586	0	50	0.0	-83.72	389.52	1.92	-81.80
CCC(C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029256592	0	50	0.0	-63.03	366.21	3.30	-59.73
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)C1	REAL300029256601	1	49	0.0	-88.62	392.06	3.90	-84.72
CC1CC2CCC(C(=O)N3CCCC(C)(NC(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300029256651	0	58	0.0	-55.10	417.55	5.65	-49.45
CC1CC2CCC(C(=O)N3CCCC(C)(NC(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300029256651	1	58	0.0	-66.58	424.39	5.51	-61.07
C[NH+](C)CCCCC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029256684	0	53	0.0	-69.37	402.46	4.48	-64.89
CC(C)C(C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029256708	0	53	0.0	-69.66	376.79	3.74	-65.92
CCC[N@H+](C)CCC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029256710	0	53	0.0	-68.39	398.68	4.33	-64.06
CCC[N@@H+](C)CCC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029256710	1	53	0.0	-68.42	398.64	4.33	-64.09
CCC[N@H+](C)CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029256716	0	50	0.0	-66.15	376.33	3.71	-62.44
CCC[N@@H+](C)CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029256716	1	50	0.0	-66.41	376.35	3.72	-62.69
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300029256746	0	52	0.0	-76.05	367.54	3.08	-72.97
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300029256746	1	52	0.0	-67.52	364.17	3.36	-64.16
CCCCCC[N@H+](C)CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029256795	0	59	0.0	-67.20	440.82	6.06	-61.14
CCCCCC[N@@H+](C)CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029256795	1	59	0.0	-67.19	440.78	6.07	-61.12
CC[NH+](CC)C(C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300029256804	0	59	0.0	-59.72	408.26	4.90	-54.82
CC1CC[NH+](CC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029256846	0	54	0.0	-66.54	399.94	4.81	-61.73
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300029256877	1	49	0.0	-76.71	392.08	3.27	-73.44
C[NH+]1CCC(OCC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029256886	0	55	0.0	-80.67	415.51	4.32	-76.35
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300029256956	0	55	0.0	-65.10	401.02	4.84	-60.26
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300029256956	1	55	0.0	-64.23	400.72	4.85	-59.38
C[NH+](C)CC1(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029256970	0	51	0.0	-74.71	384.18	3.79	-70.92
CC1=[NH+]C=C2CCC(C(=O)N3CCCC(C)(NC(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300029256971	1	53	0.0	-60.05	404.66	4.88	-55.17
CC(C)[NH+]1CCC(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029256983	0	57	0.0	-72.40	415.31	5.08	-67.32
CC[N@H+](C)CCC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029257022	0	50	0.0	-67.90	377.15	3.57	-64.33
CC[N@@H+](C)CCC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029257022	1	50	0.0	-67.96	377.19	3.57	-64.39
CC(C)(C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029257055	0	57	0.0	-67.32	399.91	4.87	-62.45
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300029257074	0	52	0.0	-77.98	374.57	3.84	-74.14
C[NH+]1CCC(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029257169	0	51	0.0	-75.06	380.99	3.90	-71.16
CC(C)[C@H](C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029257192	0	53	0.0	-70.11	377.47	3.84	-66.27
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1	REAL300029257286	0	58	0.0	-74.23	425.04	5.72	-68.51
CC[NH+](CC)CC(F)C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029257333	0	53	0.0	-70.59	394.88	4.05	-66.54
C[NH+](C)CC1=C(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)SC=C1	REAL300029257334	0	51	0.0	-49.57	399.52	4.57	-45.00
CC(C)C[N@@H+]1CCC(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029257380	0	57	0.0	-67.66	418.06	5.17	-62.49
CC(C)C[N@H+]1CCC(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029257380	1	57	0.0	-68.07	418.34	5.11	-62.96
C[NH+](C)C1(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300029257384	0	51	0.0	-71.99	364.43	3.30	-68.69
CCC(C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029257421	0	56	0.0	-61.92	399.55	4.51	-57.41
CC1CCC[N@@H+]1CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029257452	0	51	0.0	-63.33	375.82	3.71	-59.62
CC1CCC[N@H+]1CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029257452	1	51	0.0	-62.99	382.24	4.08	-58.91
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029257540	1	55	0.0	-64.30	420.99	5.35	-58.95
CC(C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300029257547	0	57	0.0	-61.92	404.39	4.69	-57.23
CC(C)[N@@H+]1CCCCC1C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029257549	0	57	0.0	-62.93	407.71	4.77	-58.16
CC(C)[N@H+]1CCCCC1C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029257549	1	57	0.0	-59.38	400.74	4.50	-54.88
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029257583	0	54	0.0	-61.65	392.56	4.22	-57.43
CC(C)[N@H+]1CCCC1C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029257583	1	54	0.0	-62.40	391.72	4.20	-58.20
C[NH+](C)C(CN1C=CC=N1)C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029257589	1	54	0.0	-59.19	404.25	3.82	-55.37
CC(C)[N@@H+]1CCCC1CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029257594	0	57	0.0	-65.40	419.14	5.01	-60.39
CC(C)[N@H+]1CCCC1CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029257594	1	57	0.0	-63.39	406.69	4.60	-58.79
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1	REAL300029257595	0	58	0.0	-66.72	411.81	6.02	-60.70
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CCC[N@H+]2C2CCCC2)C1	REAL300029257595	1	58	0.0	-63.66	416.35	5.52	-58.14
CC(C)[C@@H](C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029257616	0	53	0.0	-68.35	373.50	4.19	-64.16
CC1CC[N@H+](CC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029257650	0	51	0.0	-64.97	382.39	3.99	-60.98
CC1CC[N@@H+](CC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029257650	1	51	0.0	-65.24	383.15	4.03	-61.21
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029257651	0	57	0.0	-56.62	413.49	4.46	-52.16
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029257651	1	57	0.0	-58.32	414.16	4.45	-53.87
CC1=[NH+]C=C2CC(C(=O)N3CCCC(C)(NC(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300029257653	1	53	0.0	-66.83	405.26	4.97	-61.86
CC1(C)CC[N@H+](CC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029257656	0	54	0.0	-65.48	402.07	4.57	-60.91
CC1(C)CC[N@@H+](CC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029257656	1	54	0.0	-65.53	401.94	4.54	-60.99
C[N@H+](CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029257657	0	56	0.0	-65.79	404.93	4.71	-61.08
C[N@@H+](CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029257657	1	56	0.0	-66.56	406.91	4.86	-61.70
CC[C@@H](C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029257668	0	50	0.0	-63.03	366.72	3.28	-59.75
CC(COCC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300029257676	0	58	0.0	-65.12	434.21	4.97	-60.15
CN(CCC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300029257838	0	53	0.0	-64.44	410.05	3.84	-60.60
CC1=[NH+]C=CN1CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029257964	1	46	0.0	-63.40	363.95	3.71	-59.69
CC(C[NH+]1CCOCC1)C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029257966	0	55	0.0	-68.65	406.00	2.83	-65.82
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CCC[NH+]2CCCCC2)C1	REAL300029257988	0	57	0.0	-67.12	422.55	5.58	-61.54
C[NH+](C)CC1=CC(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300029258009	1	50	0.0	-78.68	391.83	3.52	-75.16
CC1=C(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300029258011	0	49	0.0	-70.43	385.94	5.68	-64.75
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029258060	1	52	0.0	-61.50	401.23	4.88	-56.62
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300029258115	0	55	0.0	-60.37	401.69	5.03	-55.34
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300029258115	1	55	0.0	-69.81	388.25	4.76	-65.05
CC[N@@H+]1CCOC(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029258152	1	52	0.0	-79.21	387.71	3.20	-76.01
CC[N@H+]1CCOC(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029258152	1	52	0.0	-55.50	375.38	3.10	-52.40
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300029258230	0	46	0.0	-71.77	364.50	5.32	-66.45
CC1=C[NH+]=CN1CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029258235	1	46	0.0	-67.51	365.34	4.49	-63.02
C[NH+](C)CCN1C=C(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300029258240	0	54	0.0	-79.05	417.09	3.32	-75.73
C[NH+](C)CCN1C=CC(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029258255	0	54	0.0	-92.73	417.28	3.98	-88.75
C[C@@H]1[C@H](C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029258262	0	51	0.0	-63.74	367.05	3.73	-60.01
C[C@@H]1[C@H](C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029258262	1	51	0.0	-62.38	369.19	4.27	-58.11
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029258265	1	55	0.0	-61.04	423.01	5.58	-55.46
CC[C@@H]1[C@@H](C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029258268	0	54	0.0	-70.86	390.09	3.83	-67.03
CC[C@@H]1[C@@H](C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029258268	1	54	0.0	-61.44	392.96	4.27	-57.17
CC1CCC(C)[NH+]1CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029258289	0	54	0.0	-62.41	392.18	4.21	-58.20
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CCC[NH+]2CCCC2)C1	REAL300029258296	0	54	0.0	-67.36	405.29	4.77	-62.59
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029258297	0	54	0.0	-72.27	412.65	5.30	-66.97
C#CC[NH+]1CCC(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029258305	0	53	0.0	-70.62	405.87	5.05	-65.57
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC[NH+]2CCCCC2)C1	REAL300029258306	0	54	0.0	-66.98	401.10	4.79	-62.19
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029258311	0	54	0.0	-60.33	409.05	5.51	-54.82
CC[N@@H+]1CCCCC1C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029258320	0	54	0.0	-59.50	395.48	4.56	-54.94
CC[N@H+]1CCCCC1C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029258320	1	54	0.0	-68.64	387.58	4.20	-64.44
CC(C)C(C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029258321	0	60	0.0	-60.39	420.96	5.83	-54.56
C[NH+](C)C(C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029258324	1	54	0.0	-69.74	408.33	5.55	-64.19
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CN2C=[NH+]C3=C2CCCC3)C1	REAL300029258332	1	53	0.0	-60.65	407.17	6.21	-54.44
C[NH+](C)CC1(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CCCCC1	REAL300029258377	0	60	0.0	-57.02	403.34	5.17	-51.85
C[N@H+](CCC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300029258383	0	60	0.0	-68.07	435.51	5.95	-62.12
C[N@@H+](CCC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300029258383	1	60	0.0	-69.20	435.52	5.95	-63.25
C[NH+](C)C1(CC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029258386	0	57	0.0	-69.45	400.96	4.82	-64.63
C[N@H+](CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029258623	0	51	0.0	-63.37	383.20	4.29	-59.08
C[N@@H+](CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029258623	1	51	0.0	-64.99	383.34	4.29	-60.70
CC(C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300029258656	0	57	0.0	-59.04	395.57	4.59	-54.45
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300029258675	0	57	0.0	-67.99	428.37	5.67	-62.32
C[N@H+](CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029258678	1	54	0.0	-70.00	413.78	5.89	-64.11
C[N@@H+](CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029258678	1	54	0.0	-69.98	413.76	5.88	-64.10
C[NH+]1CCC(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029258695	0	51	0.0	-75.06	380.99	3.90	-71.16
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029258766	0	48	0.0	-59.75	354.31	2.90	-56.85
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029258766	1	48	0.0	-62.59	359.82	3.17	-59.42
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029258791	1	50	0.0	-65.22	382.20	4.06	-61.16
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029258791	1	50	0.0	-65.03	389.07	4.50	-60.53
C[N@@H+]1CCCC1CCC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029258801	0	54	0.0	-65.45	398.79	4.36	-61.09
C[N@H+]1CCCC1CCC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029258801	1	54	0.0	-65.17	398.98	4.38	-60.79
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300029258814	0	55	0.0	-81.87	384.65	3.99	-77.88
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300029258822	0	55	0.0	-64.28	396.79	4.79	-59.49
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300029258822	1	55	0.0	-64.14	396.77	4.77	-59.37
CCC[N@@H+]1CCCC(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029258919	0	57	0.0	-65.41	420.19	5.26	-60.15
CCC[N@H+]1CCCC(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029258919	1	57	0.0	-62.15	411.33	5.33	-56.82
CC(C)[N@@H+]1CCOC(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029258942	1	55	0.0	-73.35	397.61	3.55	-69.80
CC(C)[N@H+]1CCOC(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029258942	1	55	0.0	-76.61	404.49	3.72	-72.89
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029258961	0	58	0.0	-67.11	408.84	2.90	-64.21
C[N@@H+]1CCCCC1C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029258981	0	51	0.0	-61.33	366.46	3.36	-57.97
C[N@H+]1CCCCC1C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029258981	1	51	0.0	-58.47	376.40	3.84	-54.63
CC(C)C[N@@H+]1CCCC1C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029259013	0	57	0.0	-64.77	422.10	5.43	-59.34
CC(C)C[N@H+]1CCCC1C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029259013	1	57	0.0	-63.52	411.91	4.86	-58.66
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300029259034	0	55	0.0	-67.60	410.73	1.49	-66.11
C[NH+]1C2CCC1CC(=CC(=O)N1CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029259072	0	56	0.0	-67.73	406.94	4.85	-62.88
CC1C(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029259093	0	51	0.0	-61.53	377.40	3.61	-57.92
CC1C(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029259093	1	51	0.0	-68.74	379.06	3.65	-65.09
C[N@@H+]1CCCCC1CCC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029259097	0	57	0.0	-72.48	411.06	5.11	-67.37
C[N@H+]1CCCCC1CCC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029259097	1	57	0.0	-72.38	411.00	5.08	-67.30
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC3=C(CCC3)[NH+]=C2N)C1	REAL300029259138	1	51	0.0	-59.29	392.72	2.96	-56.33
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029259223	0	54	0.0	-61.85	398.00	4.01	-57.84
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029259223	1	54	0.0	-62.97	380.97	3.36	-59.61
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CCN(C3=CC=[NH+]C=C3)C2)C1	REAL300029259243	0	54	0.0	-69.08	408.11	2.64	-66.44
C[C@@H](C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029259248	0	47	0.0	-63.10	353.17	2.68	-60.42
C[NH+](C)CC1=CC(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=CC=N1	REAL300029259269	1	53	0.0	-87.15	409.08	3.50	-83.65
C=CCC(C)(C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029259275	0	54	0.0	-69.41	381.47	3.76	-65.65
CC[NH+](CC)CCSCC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029259308	0	57	0.0	-75.65	438.17	5.54	-70.11
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=C(N)C3=CC=CC=C3[NH+]=C2)C1	REAL300029259309	1	50	0.0	-66.39	390.31	2.35	-64.04
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC[NH+]2CCCC2)C1	REAL300029259314	0	51	0.0	-67.09	385.43	4.08	-63.01
C[N@H+](CCO)CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029259324	1	48	0.0	-68.21	365.21	-0.27	-68.48
C[N@@H+](CCO)CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029259324	1	48	0.0	-67.22	364.89	-0.25	-67.47
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300029259369	0	54	0.0	-78.58	383.24	1.55	-77.03
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300029259369	1	54	0.0	-66.73	379.93	1.69	-65.04
CC(C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300029259401	1	52	0.0	-65.11	394.09	4.24	-60.87
C[N@H+]1CC=C(CC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029259453	0	52	0.0	-66.17	394.69	4.52	-61.65
C[N@@H+]1CC=C(CC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029259453	1	52	0.0	-63.44	394.72	4.53	-58.91
C[S+](C)CCC(O)C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029259471	0	50	0.0	-78.32	397.76	1.73	-76.59
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029259497	0	52	0.0	-63.43	379.80	-0.07	-63.50
C[N@H+]1CC(O)CC1(C)C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029259497	1	52	0.0	-66.37	375.77	-0.29	-66.66
CN1CC[N@H+](C)CC(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029259513	0	56	0.0	-74.04	409.37	2.39	-71.65
CN1CC[N@@H+](C)CC(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029259513	1	56	0.0	-59.95	407.58	1.86	-58.09
CC(C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300029259514	0	55	0.0	-64.06	406.90	1.21	-62.85
CC(C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300029259514	1	55	0.0	-66.87	404.33	1.37	-65.50
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=C(N)[NH+]=CC3=C2CCC3)C1	REAL300029259550	0	51	0.0	-73.02	396.69	3.01	-70.01
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029259557	0	55	0.0	-66.85	404.54	2.77	-64.08
C[N@H+]1CCCC(O)(CC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029259557	1	55	0.0	-65.41	407.39	2.71	-62.70
CC1C[NH+](CC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029259564	1	48	0.0	-67.07	367.31	3.48	-63.59
CC[N@@H+]1CCCC(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029259572	0	54	0.0	-63.49	389.84	4.58	-58.91
CC[N@H+]1CCCC(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029259572	1	54	0.0	-60.12	389.61	4.62	-55.50
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC2=CC=C[NH+]=C2N)C1	REAL300029259584	0	47	0.0	-63.59	369.80	2.00	-61.59
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300029259600	0	52	0.0	-68.38	389.04	4.24	-64.14
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300029259600	1	52	0.0	-61.58	386.10	4.49	-57.09
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300029259657	0	52	0.0	-75.57	395.01	4.46	-71.11
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300029259686	0	55	0.0	-70.13	405.86	5.09	-65.04
CC[N@H+](C)CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029259742	0	47	0.0	-66.06	354.86	2.97	-63.09
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CN2CC3C=CC2C3)C1	REAL300029259816	0	50	0.0	-64.47	376.37	4.29	-60.18
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300029259816	1	50	0.0	-64.39	376.17	4.28	-60.11
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300029259816	1	50	0.0	-64.39	376.17	4.28	-60.11
CC1=CC=C(NCCC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)N=C1	REAL300029259841	0	53	0.0	-66.62	414.43	3.59	-63.03
CC1=CC=C(NCCC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)[NH+]=C1	REAL300029259841	1	53	0.0	-66.62	414.43	3.59	-63.03
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2C[NH+]3CCN2CC3)C1	REAL300029259922	0	51	0.0	-64.31	369.99	0.44	-63.87
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300029259977	0	55	0.0	-61.66	382.52	3.97	-57.69
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C23CCC[N@H+]2CCCC3)C1	REAL300029259977	1	55	0.0	-61.81	382.87	3.98	-57.83
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300029259989	0	53	0.0	-62.86	378.49	3.92	-58.94
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300029259989	1	53	0.0	-62.06	377.90	3.91	-58.15
CC(OCC[NH+](C)C)C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029260002	0	54	0.0	-67.83	408.63	3.91	-63.92
C[NH+](C)CCOCCC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029260014	0	54	0.0	-73.54	412.31	3.00	-70.54
COCC[N@H+](C)CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029260016	1	51	0.0	-67.76	387.14	2.15	-65.61
COCC[N@@H+](C)CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029260016	1	51	0.0	-68.51	387.46	2.13	-66.38
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2C[NH+](C3CCOC3)C2)C1	REAL300029260018	0	53	0.0	-73.35	403.29	2.70	-70.65
CC(CCC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029260023	0	53	0.0	-65.48	394.41	4.10	-61.38
C[NH+]1CCC(=CC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029260051	0	52	0.0	-71.69	388.02	4.44	-67.25
CC[N@H+](CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029260062	0	51	0.0	-63.99	378.14	3.88	-60.11
CC[N@@H+](CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029260062	1	51	0.0	-64.01	383.54	4.31	-59.70
C[NH+](C)C1(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CCCSC1	REAL300029260067	0	55	0.0	-67.04	394.54	4.30	-62.74
CC1C[N@@H+]2CCN1C(C(=O)N1CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029260082	0	54	0.0	-67.55	379.20	3.16	-64.39
CC1C[N@H+]2CCN1C(C(=O)N1CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029260082	1	54	0.0	-66.03	362.66	3.30	-62.73
C[N@@H+]1CC2CC1(C(=O)N1CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029260120	0	49	0.0	-74.13	363.56	3.35	-70.78
C[N@H+]1CC2CC1(C(=O)N1CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029260120	1	49	0.0	-70.06	364.05	3.24	-66.82
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029260131	1	51	0.0	-73.00	399.40	2.85	-70.15
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300029260140	0	52	0.0	-63.63	383.61	4.42	-59.21
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300029260140	1	52	0.0	-63.67	384.00	4.46	-59.21
CC(C)[NH+]1CCC(CC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029260156	0	60	0.0	-65.25	434.59	5.93	-59.32
CC(C[NH+](C)C)C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029260172	0	50	0.0	-67.16	373.04	3.35	-63.81
C[NH+](C)C1(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029260192	0	48	0.0	-72.76	359.11	2.90	-69.86
C[C@H](C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029260224	0	47	0.0	-61.41	353.10	2.65	-58.76
CC[N@@H+]1CCC1C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029260236	1	48	0.0	-63.01	358.71	2.89	-60.12
CC[N@H+]1CCC1C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029260236	1	48	0.0	-62.84	360.11	2.97	-59.87
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029260252	0	57	0.0	-65.19	415.82	5.04	-60.15
CC(C)[N@H+]1CCCC(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029260252	1	57	0.0	-66.62	407.67	5.22	-61.40
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029260277	0	56	0.0	-62.68	400.21	2.75	-59.93
C#CC[N@H+]1CCCCC1C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029260332	1	53	0.0	-58.91	401.83	5.02	-53.89
C#CC[N@@H+]1CCCCC1C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029260332	1	53	0.0	-60.59	402.99	5.11	-55.48
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029260336	1	50	0.0	-62.89	388.62	2.80	-60.09
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=C[NH+]=CC=C2N)C1	REAL300029260337	0	44	0.0	-72.76	347.49	0.14	-72.62
CCCC(C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029260349	0	53	0.0	-62.33	389.33	4.12	-58.21
C[NH+](C)C(C)(C)C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029260357	0	50	0.0	-62.79	358.40	2.74	-60.05
CC(CC[NH+](C)C)C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029260383	0	53	0.0	-66.94	395.95	4.02	-62.92
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1	REAL300029260451	0	58	0.0	-75.81	408.86	4.90	-70.91
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1	REAL300029260451	1	58	0.0	-57.94	411.32	5.72	-52.22
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300029260491	0	53	0.0	-66.58	397.06	4.81	-61.77
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300029260491	1	53	0.0	-66.64	396.88	4.85	-61.79
COCCCC[N@H+](C)CCC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029260542	0	60	0.0	-72.10	453.85	4.18	-67.92
COCCCC[N@@H+](C)CCC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029260542	1	60	0.0	-72.10	453.81	4.18	-67.92
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029260554	0	54	0.0	-65.37	402.62	4.35	-61.02
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029260554	1	54	0.0	-61.29	390.03	3.98	-57.31
C[NH+](C)CCCCCC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029260560	0	56	0.0	-69.13	423.95	5.27	-63.86
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC[NH+]2CCC(O)CC2)C1	REAL300029260565	0	55	0.0	-70.31	411.72	1.40	-68.91
CCC[N@@H+]1CCCCC1C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029260571	0	57	0.0	-61.19	405.68	4.75	-56.44
CCC[N@H+]1CCCCC1C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029260571	1	57	0.0	-62.84	405.73	4.82	-58.02
CC[NH+]1CCN(CCC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029260581	0	59	0.0	-75.41	434.15	2.86	-72.55
CCN1CC[NH+](CCC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029260581	1	59	0.0	-69.10	435.73	3.02	-66.08
C[NH+]1CCN(CC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029260585	1	53	0.0	-65.39	394.59	1.63	-63.76
CC(C)C[NH+]1CCC(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029260724	0	60	0.0	-67.95	437.66	5.98	-61.97
CC1C[N@H+](C)CC(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029260727	1	52	0.0	-82.68	383.89	2.87	-79.81
CC1C[N@@H+](C)CC(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029260727	1	52	0.0	-82.02	391.19	3.30	-78.72
CCC1CCC[N@H+](CC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029260766	0	57	0.0	-66.18	411.07	5.39	-60.79
CCC1CCC[N@@H+](CC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029260766	1	57	0.0	-66.32	418.07	5.43	-60.89
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029260777	0	52	0.0	-91.97	398.96	3.82	-88.15
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300029260802	0	49	0.0	-65.96	372.59	4.19	-61.77
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC2([NH+]3CCCC3)CC2)C1	REAL300029260822	0	55	0.0	-63.54	402.20	5.12	-58.42
CC([NH2+]C1(CO)CCCC1)C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029260842	0	58	0.0	-62.35	409.55	-0.13	-62.48
C[N@@H+]1CCCCC1C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029260877	0	51	0.0	-61.33	366.46	3.36	-57.97
C[N@H+]1CCCCC1C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029260877	1	51	0.0	-58.47	376.40	3.84	-54.63
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CC[N@@H+]2CC2=CC=CC=C2)C1	REAL300029260885	1	55	0.0	-65.64	420.13	5.94	-59.70
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CC[N@H+]2CC2=CC=CC=C2)C1	REAL300029260885	1	55	0.0	-64.94	420.94	6.00	-58.94
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029260892	0	60	0.0	-73.61	428.71	5.83	-67.78
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029260892	1	60	0.0	-65.84	438.10	5.94	-59.90
C[NH+](C)C1CCN(CC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029260962	0	59	0.0	-68.08	428.98	2.87	-65.21
C[N@@H+]1CCC(=CC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029261042	0	49	0.0	-73.77	372.33	3.76	-70.01
C[N@H+]1CCC(=CC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029261042	1	49	0.0	-73.82	372.32	3.78	-70.04
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300029261049	0	47	0.0	-71.44	371.29	1.41	-70.03
CC[NH+]1CCN(CC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029261121	0	56	0.0	-64.98	412.33	2.31	-62.67
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C=C2C[NH+]3CCC2CC3)C1	REAL300029261124	0	53	0.0	-59.62	390.88	4.57	-55.05
C[NH+](C)C1(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029261178	0	54	0.0	-72.51	379.36	3.95	-68.56
C[N@H+](CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029261195	0	55	0.0	-61.46	407.70	1.71	-59.75
C[N@@H+](CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029261195	1	55	0.0	-63.65	407.73	1.71	-61.94
CCC1C[NH+](CC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029261203	1	51	0.0	-67.23	389.77	4.16	-63.07
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2C[NH+](C3CCOCC3)C2)C1	REAL300029261207	0	56	0.0	-73.75	420.17	3.31	-70.44
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300029261209	0	55	0.0	-69.49	393.93	4.50	-64.99
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029261226	0	48	0.0	-66.47	362.15	3.19	-63.28
C[N@H+]1CCC[C@H]1C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029261226	1	48	0.0	-61.56	355.40	2.85	-58.71
CC[N@@H+]1CCOCC1CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029261268	0	55	0.0	-66.25	400.75	2.68	-63.57
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2C[NH+](C3CCCCC3)C2)C1	REAL300029261296	0	58	0.0	-71.29	428.98	5.69	-65.60
COC1C[N@@H+]2CCCC2(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029261317	0	56	0.0	-62.94	407.96	2.63	-60.31
COC1C[N@H+]2CCCC2(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029261317	1	56	0.0	-62.94	407.96	2.63	-60.31
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=C3NC(N)=NC3=C2)C1	REAL300029261393	0	48	0.0	-73.95	378.73	3.07	-70.88
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=C3NC(N)=[NH+]C3=C2)C1	REAL300029261393	1	48	0.0	-73.95	378.73	3.07	-70.88
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029261446	0	51	0.0	-71.23	386.30	4.05	-67.18
C[NH+](C)CCC1(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029261459	0	60	0.0	-82.91	429.43	5.35	-77.56
CC1CCCC(C)[NH+]1CCC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029261461	0	60	0.0	-65.21	427.68	5.47	-59.74
C[NH+](C)C1CCC(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029261464	0	57	0.0	-69.75	405.96	4.80	-64.95
C[NH+](C)CCC1(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029261465	0	54	0.0	-78.09	408.50	4.66	-73.43
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029261470	0	57	0.0	-68.21	405.75	4.77	-63.44
C[N@@H+]1CC=CCC1CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029261471	0	52	0.0	-56.35	383.35	4.36	-51.99
C[N@H+]1CC=CCC1CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029261471	1	52	0.0	-63.64	383.35	4.35	-59.29
CC1=CC(C=CC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=C[NH+]=C1N	REAL300029261540	1	51	0.0	-77.65	399.60	3.15	-74.50
C[NH+](C)CCOCC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029261556	0	51	0.0	-70.69	391.44	3.29	-67.40
CCCCC[N@H+](C)CCC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029261563	0	59	0.0	-69.23	441.68	5.89	-63.34
CCCCC[N@@H+](C)CCC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029261563	1	59	0.0	-69.19	441.63	5.89	-63.30
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029261577	0	55	0.0	-68.42	412.93	4.15	-64.27
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CN2C=CSC2=[NH2+])C1	REAL300029261611	0	44	0.0	-57.77	362.61	2.33	-55.44
C[C@@H](OCC[NH+](C)C)C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029261710	0	54	0.0	-59.86	408.80	3.91	-55.95
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC[NH+]2CCCCCC2)C1	REAL300029261783	0	57	0.0	-68.23	411.12	4.98	-63.25
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[NH+]2CCCCC2)C1	REAL300029261787	0	51	0.0	-65.65	378.79	4.18	-61.47
C[N@@H+]1CCCC(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029261789	0	51	0.0	-66.02	380.20	3.79	-62.23
C[N@H+]1CCCC(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029261789	1	51	0.0	-60.75	371.96	3.96	-56.79
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300029261791	0	55	0.0	-67.60	410.73	1.49	-66.11
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[NH+]2CCCCCC2)C1	REAL300029261797	0	54	0.0	-64.57	388.06	4.35	-60.22
CN1C=C[N+](CC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029261804	0	46	0.0	-60.96	366.81	5.66	-55.30
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029261823	0	60	0.0	-71.56	410.90	4.37	-67.19
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029261823	1	60	0.0	-79.94	412.09	4.35	-75.59
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029261829	1	51	0.0	-85.10	395.82	3.77	-81.33
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300029261838	0	53	0.0	-78.33	409.70	3.42	-74.91
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300029261857	1	52	0.0	-70.62	390.18	0.85	-69.77
C[N@H+](CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029261864	0	48	0.0	-62.83	366.31	3.72	-59.11
C[N@@H+](CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029261864	1	48	0.0	-64.35	366.45	3.72	-60.63
CC(C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300029261866	1	56	0.0	-67.40	406.88	1.98	-65.42
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC[N@@H+]2CCC(F)C2)C1	REAL300029261871	0	51	0.0	-71.67	391.08	4.11	-67.56
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC[N@H+]2CCC(F)C2)C1	REAL300029261871	1	51	0.0	-71.57	391.30	4.17	-67.40
COC1C[N@H+](C)C(C)(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029261887	0	55	0.0	-65.83	398.94	1.68	-64.15
COC1C[N@@H+](C)C(C)(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029261887	1	55	0.0	-73.02	399.90	2.46	-70.56
CC(CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029261914	0	53	0.0	-69.28	394.28	4.37	-64.91
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300029261936	0	53	0.0	-62.57	383.02	2.50	-60.07
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CC[N@H+]3CCOCC23)C1	REAL300029261936	1	53	0.0	-67.01	387.46	2.55	-64.46
CC1=[NH+]C=C2C=CC(C(=O)N3CCCC(C)(NC(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300029261945	0	49	0.0	-69.33	391.17	5.25	-64.08
C[N@@H+]1CCOCC1CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029261966	1	52	0.0	-57.87	380.22	2.04	-55.83
C[N@H+]1CCOCC1CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029261966	1	52	0.0	-57.94	380.24	2.03	-55.91
CC[NH+]1CCN(CC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029261979	0	56	0.0	-64.98	412.33	2.31	-62.67
CC1=CC(N)=[NH+]C=C1C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029262048	1	47	0.0	-75.07	366.60	1.43	-73.64
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CCC2=CC=C(N)[NH+]=C2)C1	REAL300029262051	0	50	0.0	-71.87	394.60	2.69	-69.18
CC1(O)CC[N@H+](CC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029262114	0	52	0.0	-64.68	393.21	0.75	-63.93
CC1(O)CC[N@@H+](CC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029262114	1	52	0.0	-65.15	393.27	0.70	-64.45
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029262124	0	54	0.0	-55.12	413.31	3.35	-51.77
C[NH+]1CC(CC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029262161	0	48	0.0	-69.30	368.38	3.18	-66.12
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300029262167	0	55	0.0	-64.49	401.57	4.77	-59.72
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300029262167	1	55	0.0	-65.23	401.39	4.75	-60.48
C[NH+](C)CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029262177	0	44	0.0	-66.72	337.07	2.31	-64.41
C[N@H+](CCO)CCC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029262222	0	51	0.0	-66.59	387.49	0.36	-66.23
C[N@@H+](CCO)CCC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029262222	1	51	0.0	-66.51	387.53	0.35	-66.16
C[C@@H](C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029262223	0	47	0.0	-63.10	353.17	2.68	-60.42
C[N@@H+]1CCCCC1CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029262249	0	54	0.0	-70.19	396.27	4.57	-65.62
C[N@H+]1CCCCC1CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029262249	1	54	0.0	-63.32	388.84	4.42	-58.90
CC1=C2C=C(C(=O)N3CCCC(C)(NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029262282	1	49	0.0	-80.00	386.42	5.89	-74.11
CC(C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300029262283	0	51	0.0	-63.12	384.40	3.86	-59.26
CC1CC[N@@H+]1CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029262289	1	48	0.0	-65.92	368.38	3.38	-62.54
CC1CC[N@H+]1CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029262289	1	48	0.0	-63.65	363.51	3.22	-60.43
C[NH+](C)CC=CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029262309	0	48	0.0	-73.62	370.47	3.39	-70.23
CC1(C)C[NH+](CC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029262324	1	51	0.0	-66.04	387.74	3.94	-62.10
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CCCC[NH+]2CCCCC2)C1	REAL300029262338	0	60	0.0	-67.89	443.59	6.34	-61.55
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029262353	1	52	0.0	-63.67	405.80	3.48	-60.19
C[NH+]1CCC(C2(C(=O)N3CCCC(C)(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029262366	0	58	0.0	-79.52	422.76	5.69	-73.83
CC1=C2C=C(C(=O)N3CCCC(C)(NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029262376	1	49	0.0	-80.00	386.42	5.89	-74.11
C[NH+](C)CCSCC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029262388	0	51	0.0	-78.20	402.47	4.17	-74.03
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC3=C(CCCC3)[NH+]=C2N)C1	REAL300029262412	1	54	0.0	-58.97	409.90	3.55	-55.42
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[N@@H+]2CCCC2CO)C1	REAL300029262420	0	52	0.0	-65.65	386.67	0.37	-65.28
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[N@H+]2CCCC2CO)C1	REAL300029262420	1	52	0.0	-65.66	391.20	0.79	-64.87
CC[NH+](CC)CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029262423	0	50	0.0	-64.10	368.68	3.39	-60.71
C[N@H+](CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029262436	0	52	0.0	-70.45	396.40	4.56	-65.89
C[N@@H+](CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029262436	1	52	0.0	-73.96	396.46	4.52	-69.44
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[NH+]2CCC2)C1	REAL300029262438	1	45	0.0	-65.98	347.39	2.78	-63.20
CC[NH+](CC)CCC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029262499	0	53	0.0	-67.08	395.00	4.28	-62.80
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[NH+]2CCC(C(N)=O)CC2)C1	REAL300029262525	0	55	0.0	-79.63	415.01	0.87	-78.76
C[NH+](C)CC1=CNC(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029262582	0	52	0.0	-77.33	398.92	3.74	-73.59
CC(C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300029262607	0	55	0.0	-63.11	406.01	1.16	-61.95
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300029262615	0	53	0.0	-67.78	391.71	2.52	-65.26
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CC3COCC[N@H+]3C2)C1	REAL300029262615	1	53	0.0	-68.78	392.57	2.47	-66.31
CC(C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029262634	1	48	0.0	-70.89	355.51	3.01	-67.88
CCC(CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029262645	0	56	0.0	-58.59	412.26	4.99	-53.60
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C=CC2=CC=C(N)[NH+]=C2)C1	REAL300029262654	0	48	0.0	-78.52	381.87	2.40	-76.12
C[NH+](C)CC(C)(C)C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029262655	0	53	0.0	-56.55	365.81	3.62	-52.93
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029262734	0	51	0.0	-63.02	366.52	3.43	-59.59
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029262734	1	51	0.0	-65.08	377.44	3.93	-61.15
CC1CN2CC[N@@H+]1CC2C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029262751	0	54	0.0	-63.24	386.38	0.92	-62.32
CC1CN2CC[N@H+]1CC2C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029262751	1	54	0.0	-76.65	386.64	0.93	-75.72
C[NH+](C)CC(O)CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029262781	0	51	0.0	-71.35	389.53	1.38	-69.97
C[NH+]1C2CCC1CC(C(=O)N1CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029262784	0	55	0.0	-61.90	382.04	4.04	-57.86
C=CCC(C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029262835	0	51	0.0	-60.03	377.50	3.67	-56.36
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300029262848	0	55	0.0	-65.10	401.02	4.84	-60.26
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300029262848	1	55	0.0	-64.23	400.72	4.85	-59.38
C[NH+]1CCC(C)(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029262864	0	54	0.0	-54.58	383.03	3.85	-50.73
C[NH+]1CCC(O)(CC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029262869	0	55	0.0	-70.57	407.60	2.67	-67.90
COCC[N@@H+]1CCCC1CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029262885	0	58	0.0	-54.91	427.55	4.26	-50.65
COCC[N@H+]1CCCC1CC(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029262885	1	58	0.0	-66.23	435.35	3.81	-62.42
C[NH+]1C2CCC1CC(CC(=O)N1CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029262900	0	58	0.0	-61.35	402.60	4.81	-56.54
C[NH+](C)CCN1N=CC=C1C(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029262935	0	54	0.0	-66.28	411.99	3.47	-62.81
C[NH+]1CCC(C2(C(=O)NC3(C)CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029262974	0	58	0.0	-61.98	420.98	5.74	-56.24
CC1=C2C=C(C(=O)NC3(C)CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029262985	1	49	0.0	-67.00	384.82	6.00	-61.00
C[NH+](C)CCSCC(=O)NC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029262994	0	51	0.0	-69.76	399.60	3.95	-65.81
CC1(NC(=O)C2CC3COCC[N@@H+]3C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029263004	0	53	0.0	-56.80	390.85	2.30	-54.50
CC1(NC(=O)C2CC3COCC[N@H+]3C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029263004	1	53	0.0	-57.62	391.12	2.38	-55.24
C[N@@H+]1CCCC1C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029263162	0	45	0.0	-74.76	353.56	2.35	-72.41
C[N@H+]1CCCC1C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029263162	1	45	0.0	-75.21	354.22	2.46	-72.75
C[N@@H+]1CCOC(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029263186	1	46	0.0	-84.77	357.88	1.58	-83.19
C[N@H+]1CCOC(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029263186	1	46	0.0	-94.52	365.00	1.75	-92.77
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029263361	1	52	0.0	-74.67	417.29	4.57	-70.10
CC(C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300029263368	0	54	0.0	-74.96	396.62	3.74	-71.22
CC(C)[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029263370	0	54	0.0	-73.20	394.58	3.95	-69.25
CC(C)[N@H+]1CCCCC1C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029263370	1	54	0.0	-72.94	400.42	3.78	-69.16
CC(C)[N@@H+]1CCCC1C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029263396	0	51	0.0	-77.36	375.54	3.32	-74.04
CC(C)[N@H+]1CCCC1C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029263396	1	51	0.0	-74.01	389.32	3.50	-70.51
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@@H+]2C1	REAL300029263420	0	52	0.0	-81.23	395.52	4.15	-77.08
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@H+]2C1	REAL300029263420	1	52	0.0	-83.71	395.05	3.98	-79.73
CC(C)C1=[NH+]C=CN1CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029263448	1	49	0.0	-74.24	393.18	4.01	-70.23
CC1=[NH+]C=CN1CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029263496	1	43	0.0	-75.16	356.94	2.87	-72.29
CC(C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029263498	0	52	0.0	-74.13	399.10	2.23	-71.90
O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029263518	0	54	0.0	-80.36	413.33	4.63	-75.73
CC(C)(C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029263542	0	54	0.0	-80.98	397.00	4.24	-76.74
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+]2CCC1CC2	REAL300029263558	0	49	0.0	-88.20	368.81	3.07	-85.13
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC2CCC[N@@H+]21	REAL300029263609	0	52	0.0	-66.53	392.43	4.24	-62.29
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC2CCC[N@H+]21	REAL300029263609	1	52	0.0	-74.57	383.96	3.92	-70.65
C[NH+](C)CCN1C=C(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300029263611	0	51	0.0	-87.55	411.93	2.79	-84.76
C[NH+](C)CCN1C=CC(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029263621	0	51	0.0	-94.88	412.35	2.81	-92.07
C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029263627	0	48	0.0	-81.78	365.53	2.57	-79.21
C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029263627	1	48	0.0	-83.25	370.52	2.64	-80.61
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029263630	1	52	0.0	-74.81	413.59	4.50	-70.31
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029263633	0	51	0.0	-82.10	383.85	2.94	-79.16
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029263633	1	51	0.0	-79.24	388.53	3.52	-75.72
CC[N@@H+]1CCOC(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029263656	1	49	0.0	-84.07	375.88	2.32	-81.75
CC[N@H+]1CCOC(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029263656	1	49	0.0	-82.63	375.70	2.22	-80.41
CC[NH+](CC)CC(F)C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029263709	0	50	0.0	-81.66	384.58	2.98	-78.68
C[NH+](C)CC1=C(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)SC=C1	REAL300029263710	0	48	0.0	-65.17	393.27	3.88	-61.29
CC1CCC(C)[NH+]1CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029263805	0	51	0.0	-75.45	384.49	3.16	-72.29
O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029263811	0	51	0.0	-80.00	397.66	3.93	-76.07
C[NH+](C)CC1=CC=CC(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029263812	0	51	0.0	-82.47	405.75	4.77	-77.70
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029263819	0	50	0.0	-85.44	397.13	4.20	-81.24
O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029263820	0	51	0.0	-80.12	391.83	3.82	-76.30
C[NH+](C)CC1=CC=CC=C1C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029263824	0	51	0.0	-64.49	398.78	5.23	-59.26
CC[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029263831	0	51	0.0	-74.87	378.00	3.45	-71.42
CC[N@H+]1CCCCC1C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029263831	1	51	0.0	-75.61	378.88	3.40	-72.21
CC(C)C(C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029263832	0	57	0.0	-75.87	418.92	5.30	-70.57
C[NH+](C)C(C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029263835	1	51	0.0	-76.75	402.32	4.77	-71.98
CC(C)C[N@@H+]1CCC(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029263855	0	54	0.0	-80.44	413.56	4.25	-76.19
CC(C)C[N@H+]1CCC(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029263855	1	54	0.0	-79.07	411.93	4.27	-74.80
C[NH+](C)C1(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300029263859	0	48	0.0	-73.51	361.49	3.00	-70.51
C[NH+](C)C(CN1C=CC=N1)C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029263860	1	51	0.0	-72.30	400.36	2.70	-69.60
CC(C)[N@@H+]1CCCC1CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029263865	0	54	0.0	-72.67	398.11	3.36	-69.31
CC(C)[N@H+]1CCCC1CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029263865	1	54	0.0	-78.14	397.14	3.55	-74.59
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@@H+]1C1CCCC1	REAL300029263866	0	55	0.0	-80.41	404.14	4.57	-75.84
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@H+]1C1CCCC1	REAL300029263866	1	55	0.0	-77.57	414.01	4.72	-72.85
CC(C)[C@@H](C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029263885	0	50	0.0	-77.70	376.59	3.33	-74.37
C[N@H+](CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029263941	0	48	0.0	-76.73	373.88	3.29	-73.44
C[N@@H+](CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029263941	1	48	0.0	-76.93	373.75	3.27	-73.66
CC(C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300029264016	0	54	0.0	-74.80	388.45	3.25	-71.55
CN(CCC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300029264080	0	50	0.0	-77.26	402.62	3.05	-74.21
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029264090	1	47	0.0	-77.45	374.47	3.15	-74.30
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029264090	1	47	0.0	-76.57	380.30	3.67	-72.90
C[N@@H+]1CCCC1CCC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029264098	0	51	0.0	-78.75	389.07	3.29	-75.46
C[N@H+]1CCCC1CCC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029264098	1	51	0.0	-84.11	391.19	3.63	-80.48
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[NH+](CCC1)C2	REAL300029264110	0	52	0.0	-79.15	385.26	3.60	-75.55
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC2CCCC[N@@H+]21	REAL300029264117	0	52	0.0	-76.20	388.54	3.85	-72.35
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC2CCCC[N@H+]21	REAL300029264117	1	52	0.0	-75.90	388.17	3.74	-72.16
CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029264125	0	55	0.0	-75.81	408.73	2.49	-73.32
O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029264144	0	54	0.0	-81.26	418.13	4.64	-76.62
C[N@H+](CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029264146	1	51	0.0	-83.84	404.29	4.88	-78.96
C[N@@H+](CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029264146	1	51	0.0	-83.91	404.30	4.88	-79.03
C[NH+]1CCC(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029264161	0	48	0.0	-85.72	372.22	2.95	-82.77
C[NH+](C)CC1=CC(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300029264215	1	47	0.0	-85.41	385.71	2.26	-83.15
CC1=C(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300029264216	0	46	0.0	-79.91	371.62	5.15	-74.76
C[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029264251	0	48	0.0	-75.80	360.15	2.84	-72.96
C[N@H+]1CCCCC1C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029264251	1	48	0.0	-76.43	360.45	2.81	-73.62
CC(C)C[N@@H+]1CCCC1C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029264278	0	54	0.0	-76.08	412.45	4.45	-71.63
CC(C)C[N@H+]1CCCC1C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029264278	1	54	0.0	-78.39	401.69	4.65	-73.74
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN2C=[NH+]C=C2C=C1	REAL300029264408	0	43	0.0	-80.86	357.79	4.81	-76.05
CC1=[NH+]C=CN1CCCC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029264418	1	49	0.0	-77.44	398.64	4.18	-73.26
O=C(CCCC[NH+]1CCOCC1)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029264422	1	55	0.0	-84.61	425.90	2.87	-81.74
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300029264428	0	51	0.0	-91.26	405.79	4.78	-86.48
O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029264429	1	49	0.0	-83.64	382.90	1.29	-82.35
CCC[NH+](CCC)CCCC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029264451	0	59	0.0	-81.03	445.74	5.17	-75.86
CC1=C[NH+]=CN1CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029264469	1	43	0.0	-78.18	357.60	3.74	-74.44
O=C(CN1C=[NH+]C2=C1CCCC2)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029264476	1	50	0.0	-78.24	399.24	5.37	-72.87
C[NH+](C)CC1(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCCC1	REAL300029264517	0	57	0.0	-86.69	412.14	5.03	-81.66
C[N@H+](CCC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300029264523	0	57	0.0	-82.57	426.02	4.86	-77.71
C[N@@H+](CCC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300029264523	1	57	0.0	-82.22	426.04	4.89	-77.33
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[NH+]1CCC2	REAL300029264525	0	49	0.0	-79.65	370.34	3.19	-76.46
C[NH+](C)C1CCCC(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029264562	0	54	0.0	-78.87	406.45	4.13	-74.74
C[N@@H+]1CCC(CC(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029264565	0	48	0.0	-81.48	374.68	2.95	-78.53
C[N@H+]1CCC(CC(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029264565	1	48	0.0	-82.59	374.33	2.99	-79.60
CN(C)C1=CC=[NH+]C=C1C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029264577	0	47	0.0	-90.96	378.35	2.10	-88.86
CCC(C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029264582	0	47	0.0	-77.22	361.02	2.50	-74.72
C[NH+](C)C1(CC(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029264599	0	54	0.0	-84.00	391.69	3.83	-80.17
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC2=C[NH+]=CN2C=C1	REAL300029264654	1	43	0.0	-87.26	358.06	4.80	-82.46
C[NH+](C)CCCCC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029264723	0	50	0.0	-82.80	392.99	3.42	-79.38
CC(C)C(C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029264744	0	50	0.0	-75.84	373.92	2.82	-73.02
CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029264746	0	50	0.0	-82.04	389.20	3.21	-78.83
CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029264746	1	50	0.0	-82.00	389.20	3.21	-78.79
CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029264752	0	47	0.0	-78.69	367.13	2.80	-75.89
CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029264752	1	47	0.0	-78.88	366.88	2.70	-76.18
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@H+](C1)CCC2	REAL300029264779	0	49	0.0	-88.22	370.02	2.63	-85.59
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@@H+](C1)CCC2	REAL300029264779	1	49	0.0	-87.22	369.76	2.62	-84.60
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029264829	0	45	0.0	-77.89	347.85	1.93	-75.96
C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029264829	1	45	0.0	-75.57	353.89	2.34	-73.23
CC1CC2CCC(C(=O)N[C@H]3C[C@H](F)CN(C(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300029264853	0	55	0.0	-70.52	409.98	4.84	-65.68
CC1CC2CCC(C(=O)N[C@H]3C[C@H](F)CN(C(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300029264853	1	55	0.0	-77.52	415.67	4.65	-72.87
CCCCCC[N@H+](C)CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029264898	0	56	0.0	-80.11	431.37	5.04	-75.07
CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029264898	1	56	0.0	-80.14	431.38	5.03	-75.11
CC[NH+](CC)C(C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300029264905	0	56	0.0	-71.55	406.93	4.61	-66.94
CC[NH+](CC)CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029264914	0	47	0.0	-77.28	363.22	2.61	-74.67
CCC[N@@H+]1CCCC(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029264947	0	54	0.0	-70.71	405.37	4.62	-66.09
CCC[N@H+]1CCCC(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029264947	1	54	0.0	-79.06	411.41	4.30	-74.76
CC(C)[N@@H+]1CCOC(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029264968	1	52	0.0	-81.92	392.47	2.74	-79.18
CC(C)[N@H+]1CCOC(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029264968	1	52	0.0	-90.15	399.61	2.91	-87.24
CC1CC[NH+](CC(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029265004	0	51	0.0	-79.53	390.40	3.88	-75.65
C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029265038	0	52	0.0	-87.99	407.52	3.35	-84.64
C[NH+](C)CC1(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029265053	0	48	0.0	-83.24	379.41	3.03	-80.21
CC1=[NH+]C=C2CCC(C(=O)N[C@H]3C[C@H](F)CN(C(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300029265054	1	50	0.0	-74.63	395.99	4.04	-70.59
CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029265144	0	54	0.0	-83.29	406.53	4.14	-79.15
C[NH+]1CCC(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029265168	0	48	0.0	-85.72	372.22	2.95	-82.77
CC(C)[C@H](C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029265189	0	50	0.0	-75.87	373.90	2.81	-73.06
CCC(C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029265223	0	53	0.0	-72.52	389.19	3.42	-69.10
CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029265297	0	47	0.0	-80.94	367.93	2.59	-78.35
CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029265297	1	47	0.0	-81.18	367.73	2.51	-78.67
CC1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029265364	0	48	0.0	-75.29	366.26	2.65	-72.64
CC1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029265364	1	48	0.0	-75.19	366.29	2.66	-72.53
CC1CC[N@H+](CC(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029265366	0	48	0.0	-78.38	373.69	3.04	-75.34
CC1CC[N@@H+](CC(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029265366	1	48	0.0	-78.29	373.68	3.01	-75.28
CC1=[NH+]C=C2CC(C(=O)N[C@H]3C[C@H](F)CN(C(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300029265368	1	50	0.0	-79.91	396.13	4.02	-75.89
CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029265371	0	51	0.0	-78.17	392.67	3.54	-74.63
CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029265371	1	51	0.0	-78.14	392.63	3.54	-74.60
C[N@H+](CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029265372	0	53	0.0	-78.64	396.15	3.83	-74.81
C[N@@H+](CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029265372	1	53	0.0	-78.85	397.88	3.82	-75.03
CC[C@@H](C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029265383	0	47	0.0	-76.71	360.65	2.87	-73.84
CC(COCC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300029265391	0	55	0.0	-77.36	426.48	4.15	-73.21
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[NH+](CC2CC2)CC1	REAL300029265469	0	55	0.0	-85.03	422.48	5.11	-79.92
C[NH+]1CCC(O)(CC(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029265605	0	52	0.0	-80.92	398.48	1.76	-79.16
COCC[N@@H+]1CCCC1CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029265612	0	55	0.0	-79.67	423.40	3.02	-76.65
COCC[N@H+]1CCCC1CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029265612	1	55	0.0	-81.23	418.90	2.31	-78.92
C[NH+](C)CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029265620	0	41	0.0	-78.99	327.83	1.40	-77.59
O=C(C[NH+]1CCC(CO)CC1)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029265625	1	52	0.0	-80.42	400.99	0.44	-79.98
O=C(C[NH+]1CCCCCC1)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029265629	0	51	0.0	-77.84	378.72	3.34	-74.50
CN1C=C[N+](CC(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029265634	0	43	0.0	-76.10	359.07	4.91	-71.19
C[N@@H+]1CCCC(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029265643	0	48	0.0	-79.99	372.19	2.91	-77.08
C[N@H+]1CCCC(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029265643	1	48	0.0	-80.15	372.21	2.91	-77.24
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@@H+]1C1CC1	REAL300029265648	0	49	0.0	-80.14	380.17	3.28	-76.86
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@H+]1C1CC1	REAL300029265648	1	49	0.0	-82.38	375.67	4.05	-78.33
CC(C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029265680	1	45	0.0	-75.88	355.99	2.52	-73.36
CCC(CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029265689	0	53	0.0	-82.08	399.04	3.85	-78.23
C[NH+](C)CC(C)(C)C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029265697	0	50	0.0	-75.05	376.11	3.07	-71.98
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC(C1)C[N@@H+]2C1CC1	REAL300029265717	0	50	0.0	-80.25	385.97	4.10	-76.15
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC(C1)C[N@H+]2C1CC1	REAL300029265717	1	50	0.0	-82.84	382.59	4.22	-78.62
O=C(C[NH+]1CCC(O)CC1)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029265733	1	49	0.0	-83.29	380.44	-0.19	-83.48
C[N@H+](CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029265734	0	45	0.0	-75.39	357.18	2.80	-72.59
C[N@@H+](CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029265734	1	45	0.0	-76.28	357.32	2.80	-73.48
CC(C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300029265735	1	53	0.0	-77.98	398.56	1.11	-76.87
C[NH+]1CC(CC(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029265759	0	45	0.0	-80.68	358.89	2.08	-78.60
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+]1C1CCCC1	REAL300029265763	0	52	0.0	-77.82	394.38	3.93	-73.89
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+]1C1CCCC1	REAL300029265763	1	52	0.0	-78.50	392.89	3.84	-74.66
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029265771	0	51	0.0	-76.76	372.49	2.41	-74.35
CC(C)(C)[N@H+]1CCC1C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029265771	1	51	0.0	-75.99	389.44	3.10	-72.89
C[C@@H](C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029265783	0	44	0.0	-77.33	345.29	1.70	-75.63
CCC1CCC[N@H+](CC(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029265830	0	54	0.0	-79.44	408.63	4.41	-75.03
CCC1CCC[N@@H+](CC(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029265830	1	54	0.0	-79.36	408.61	4.41	-74.95
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029265838	0	49	0.0	-94.90	394.15	2.73	-92.17
C[NH+]1C2CCC1CC(CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029265851	0	55	0.0	-81.43	393.70	3.73	-77.70
[NH2+]=C1SC=CN1CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029265894	0	41	0.0	-74.68	354.71	1.47	-73.21
C[N@H+](CCO)CCC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029265906	0	48	0.0	-80.79	378.05	-0.74	-81.53
C[N@@H+](CCO)CCC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029265906	1	48	0.0	-80.36	377.93	-0.73	-81.09
C[C@@H](C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029265907	0	44	0.0	-77.33	345.29	1.70	-75.63
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029265911	0	48	0.0	-76.20	360.23	2.70	-73.50
C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029265911	1	48	0.0	-74.94	369.39	2.86	-72.08
CC1CN2CC[N@@H+]1CC2C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029265921	0	51	0.0	-86.44	380.73	0.34	-86.10
CC1CN2CC[N@H+]1CC2C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029265921	1	51	0.0	-85.10	380.20	0.26	-84.84
COC1C[N@@H+]2CCCC2(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029265962	0	53	0.0	-87.33	405.19	2.32	-85.01
COC1C[N@H+]2CCCC2(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029265962	1	53	0.0	-72.26	405.08	2.11	-70.15
O=C(CC1=CC2=C[NH+]=CN2C=C1)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029265976	0	46	0.0	-76.81	382.24	5.58	-71.23
C[N@H+](CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029266003	0	49	0.0	-83.56	387.13	3.52	-80.04
C[N@@H+](CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029266003	1	49	0.0	-83.33	388.40	3.50	-79.83
O=C(C[NH+]1CCC1)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266004	1	42	0.0	-79.29	337.73	1.71	-77.58
C[NH+](C)CC1=CC(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC=N1	REAL300029266039	1	50	0.0	-78.86	401.80	2.93	-75.93
C[N@@H+]1CCC(=CC(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029266041	0	46	0.0	-83.03	365.44	2.85	-80.18
C[N@H+]1CCC(=CC(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029266041	1	46	0.0	-82.83	366.46	2.84	-79.99
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+](C2CCCCC2)C1	REAL300029266067	0	55	0.0	-83.23	419.88	4.73	-78.50
C[NH+](C)CCOCC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266082	0	48	0.0	-78.68	383.75	2.40	-76.28
CCCCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266088	0	56	0.0	-82.79	432.22	4.79	-78.00
CCCCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266088	1	56	0.0	-82.94	432.19	4.77	-78.17
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029266098	0	52	0.0	-80.14	406.18	3.25	-76.89
C=CCC(C)(C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029266107	0	51	0.0	-83.12	379.21	3.09	-80.03
C[S+](C)CCC(O)C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266112	0	47	0.0	-87.03	392.49	0.95	-86.08
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266142	0	49	0.0	-89.74	373.98	-0.58	-90.32
CN1CC[N@H+](C)CC(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029266156	0	53	0.0	-76.24	397.68	1.46	-74.78
CN1CC[N@@H+](C)CC(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029266156	1	53	0.0	-76.24	397.68	1.46	-74.78
CC(C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300029266157	0	52	0.0	-76.70	396.14	0.49	-76.21
O=C(CN1CCC(CO)CC1)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266171	0	52	0.0	-80.42	400.99	0.44	-79.98
O=C(C[NH+]1CCC(CO)CC1)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266171	1	52	0.0	-80.42	400.99	0.44	-79.98
C[N@@H+]1CCCC(O)(CC(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029266181	0	52	0.0	-71.29	397.88	1.56	-69.73
C[N@H+]1CCCC(O)(CC(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029266181	1	52	0.0	-71.29	397.88	1.56	-69.73
CC1CN(CC(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029266185	0	45	0.0	-79.87	357.90	2.55	-77.32
CC1C[NH+](CC(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029266185	1	45	0.0	-79.87	357.90	2.55	-77.32
CN(CCO)CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266214	0	45	0.0	-79.81	355.98	-1.18	-80.99
C[N@H+](CCO)CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266214	1	45	0.0	-79.21	355.60	-1.15	-80.36
C[N@@H+](CCO)CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266214	1	45	0.0	-79.21	355.60	-1.15	-80.36
C[NH+]1C2CCC1CC(=CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029266236	0	53	0.0	-78.09	400.90	4.25	-73.84
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[N@@H+]2CCN1CCC2	REAL300029266241	0	51	0.0	-91.92	374.43	1.06	-90.86
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[N@H+]2CCN1CCC2	REAL300029266241	1	51	0.0	-91.92	374.43	1.06	-90.86
CC[N@@H+]1CCCC(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029266248	0	51	0.0	-78.20	390.13	3.66	-74.54
CC[N@H+]1CCCC(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029266248	1	51	0.0	-78.20	390.13	3.66	-74.54
CC(CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029266250	0	50	0.0	-81.26	385.02	3.40	-77.86
CC[N@H+](C)CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266266	0	44	0.0	-78.59	345.37	1.97	-76.62
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@@H+]1CCCC2	REAL300029266294	0	52	0.0	-72.83	381.97	3.95	-68.88
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@H+]1CCCC2	REAL300029266294	1	52	0.0	-72.83	381.97	3.95	-68.88
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@@H+]1CC=CC2	REAL300029266303	0	50	0.0	-79.91	374.43	3.79	-76.12
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@H+]1CC=CC2	REAL300029266303	1	50	0.0	-79.91	374.43	3.79	-76.12
CC[N@H+](CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029266327	0	48	0.0	-76.28	374.21	3.40	-72.88
CC[NH+](CC)CCC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266351	0	50	0.0	-80.10	385.71	3.31	-76.79
CC1(C)CN(CC(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029266381	0	48	0.0	-79.43	378.41	3.02	-76.41
CC1(C)C[NH+](CC(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029266381	1	48	0.0	-79.43	378.41	3.02	-76.41
O=C(CCCC[NH+]1CCCCC1)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266387	0	57	0.0	-81.16	434.83	5.40	-75.76
CC1(O)CC[N@H+](CC(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029266418	0	49	0.0	-77.37	383.60	-0.30	-77.67
C[NH+](C)CC=CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266428	0	45	0.0	-84.48	363.80	2.62	-81.86
CC(OCC[NH+](C)C)C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266452	0	51	0.0	-75.99	403.29	3.03	-72.96
C[NH+](C)CCOCCC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266463	0	51	0.0	-80.83	404.66	2.18	-78.65
COCCN(C)CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266464	0	48	0.0	-79.10	378.31	1.20	-77.90
COCC[N@H+](C)CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266464	1	48	0.0	-80.15	378.23	1.23	-78.92
COCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266464	1	48	0.0	-80.15	378.23	1.23	-78.92
C[NH+](C)C1(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029266516	0	51	0.0	-85.85	379.77	3.96	-81.89
CC(CCC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029266519	0	50	0.0	-85.18	381.39	3.11	-82.07
CCN1CCC1C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266529	0	45	0.0	-77.55	351.30	1.93	-75.62
CC[N@@H+]1CCC1C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266529	1	45	0.0	-77.47	351.53	2.00	-75.47
CC[N@H+]1CCC1C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266529	1	45	0.0	-77.47	351.53	2.00	-75.47
CC(C)[N@@H+]1CCCC(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029266540	0	54	0.0	-77.47	406.55	4.08	-73.39
CC(C)[N@H+]1CCCC(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029266540	1	54	0.0	-77.47	406.55	4.08	-73.39
O=C(C[N@H+]1CCCC1CO)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266554	0	49	0.0	-74.72	373.38	-0.18	-74.90
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@@H+]2C1	REAL300029266580	0	52	0.0	-83.71	395.05	3.98	-79.73
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@H+]2C1	REAL300029266580	1	52	0.0	-83.71	395.05	3.98	-79.73
C[NH+]1CCC(C)(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029266587	0	51	0.0	-76.52	385.07	3.48	-73.04
C=CCC(C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029266624	0	48	0.0	-77.65	374.16	3.07	-74.58
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266642	0	51	0.0	-77.88	387.84	2.97	-74.91
C[NH+](C)CCCCCC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266646	0	53	0.0	-82.00	414.49	4.20	-77.80
CC1C[N@@H+]2CCN1C(C(=O)N[C@H]1C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029266690	0	51	0.0	-77.74	365.84	0.38	-77.36
CCCC(C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029266691	0	50	0.0	-75.15	379.00	3.17	-71.98
C[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266696	0	47	0.0	-85.14	356.43	2.25	-82.89
C[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266743	0	48	0.0	-76.43	360.45	2.81	-73.62
C[N@H+]1CC=C(CC(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029266791	0	49	0.0	-74.17	386.81	3.60	-70.57
C[N@@H+]1CC=C(CC(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029266791	1	49	0.0	-74.17	386.81	3.60	-70.57
O=C(CC1([NH+]2CCCC2)CC1)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266800	0	52	0.0	-76.73	393.93	4.15	-72.58
C[N@@H+]1CCCC(C(C)(C)C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029266852	0	57	0.0	-82.56	409.97	3.97	-78.59
C[N@H+]1CCCC(C(C)(C)C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029266852	1	57	0.0	-83.08	409.94	3.96	-79.12
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029266857	1	48	0.0	-89.65	392.19	3.10	-86.55
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300029266862	0	50	0.0	-86.86	401.59	2.92	-83.94
O=C(C=CC[NH+]1CCCC1)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266878	0	49	0.0	-83.53	389.95	3.72	-79.81
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[NH+](C2CC2)CC1	REAL300029266903	0	52	0.0	-82.69	401.53	4.35	-78.34
C[NH+](C)C1(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029266925	0	45	0.0	-83.78	353.31	2.36	-81.42
O=C(CC[NH+]1CCCC1)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266927	0	48	0.0	-80.73	374.93	2.94	-77.79
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+]2CCN1CC2	REAL300029266971	0	48	0.0	-89.30	364.23	-0.13	-89.43
C[N@@H+]1CC2CC1(C(=O)N[C@H]1C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029266981	0	46	0.0	-84.87	359.67	2.50	-82.37
C[N@H+]1CC2CC1(C(=O)N[C@H]1C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029266981	1	46	0.0	-85.14	359.10	2.35	-82.79
O=C(C[N@@H+]1CC2CCC1C2)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266995	0	49	0.0	-76.98	374.20	3.39	-73.59
O=C(C[N@H+]1CC2CCC1C2)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266995	1	49	0.0	-75.85	371.93	3.28	-72.57
CC(C)[NH+]1CCC(CC(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029267006	0	57	0.0	-76.33	421.50	4.61	-71.72
O=C(C=C1C[NH+]2CCC1CC2)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029267054	0	50	0.0	-72.10	384.30	3.81	-68.29
O=C(C[N@@H+]1CC2C=CC1C2)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029267065	1	47	0.0	-74.84	366.57	3.14	-71.70
O=C(C[N@H+]1CC2C=CC1C2)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029267065	1	47	0.0	-77.43	367.00	3.25	-74.18
CC[NH+]1CCN(CC(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029267103	0	53	0.0	-78.03	404.08	1.55	-76.48
CC(C[NH+](C)C)C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029267127	0	47	0.0	-71.67	365.14	2.65	-69.02
C[N@@H+]1CCCCC1CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029267219	0	51	0.0	-71.16	379.28	3.33	-67.83
C[N@H+]1CCCCC1CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029267219	1	51	0.0	-83.48	386.58	3.49	-79.99
CC1=C2C=C(C(=O)N[C@H]3C[C@H](F)CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029267240	1	46	0.0	-85.83	379.92	5.35	-80.48
CC(C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300029267241	1	48	0.0	-77.08	375.65	3.04	-74.04
CC1CC[N@@H+]1CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029267245	1	45	0.0	-77.95	358.96	2.37	-75.58
CC1CC[N@H+]1CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029267245	1	45	0.0	-77.78	358.98	2.42	-75.36
C[NH+](C)CC(O)CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029267250	0	48	0.0	-85.18	380.51	0.42	-84.76
CC1C[N@H+](C)CC(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029267283	1	49	0.0	-83.57	379.09	2.31	-81.26
CC1C[N@@H+](C)CC(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029267283	1	49	0.0	-95.99	378.93	2.05	-93.94
O=C(CC[NH+]1CCC(O)CC1)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029267294	0	52	0.0	-83.84	402.47	0.44	-83.40
CCC[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029267297	0	54	0.0	-75.59	399.52	4.20	-71.39
CCC[N@H+]1CCCCC1C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029267297	1	54	0.0	-75.34	409.32	4.33	-71.01
CC[NH+]1CCN(CCC(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029267302	0	56	0.0	-81.86	426.50	2.05	-79.81
CCN1CC[NH+](CCC(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029267302	1	56	0.0	-81.69	425.27	1.91	-79.78
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300029267305	0	55	0.0	-81.36	398.00	4.04	-77.32
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300029267305	1	55	0.0	-70.27	402.36	4.77	-65.50
CC(C)C[NH+]1CCC(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029267348	0	57	0.0	-85.21	428.79	5.03	-80.18
C[NH+](C)C1CCN(CC(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029267373	0	56	0.0	-79.44	421.71	2.12	-77.32
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029267393	0	48	0.0	-81.18	377.33	2.99	-78.19
CC(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029267401	0	50	0.0	-80.53	387.67	3.17	-77.36
C[N@H+](CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029267430	0	52	0.0	-73.87	398.85	0.59	-73.28
C[N@@H+](CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029267430	1	52	0.0	-76.38	398.23	0.66	-75.72
C#CC[N@H+]1CCCCC1C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029267439	1	50	0.0	-75.92	394.66	4.07	-71.85
C#CC[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029267439	1	50	0.0	-75.80	385.54	4.01	-71.79
C[NH+]1CCN(CC(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029267444	1	50	0.0	-79.03	386.85	0.91	-78.12
CC[NH+]1CCN(CC(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029267454	0	53	0.0	-78.03	404.08	1.55	-76.48
NC(=[NH2+])SCC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029267485	0	39	0.0	-82.49	336.42	-1.75	-84.24
CC[N@@H+]1CCOCC1CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029267531	0	52	0.0	-81.27	390.91	1.61	-79.66
C[NH+](C)CCC1(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029267550	0	57	0.0	-82.68	428.90	4.97	-77.71
CC1CCCC(C)[NH+]1CCC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029267552	0	57	0.0	-76.39	420.66	4.45	-71.94
C[NH+](C)C1CCC(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029267555	0	54	0.0	-86.15	406.72	4.23	-81.92
C[NH+](C)CCC1(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029267556	0	51	0.0	-87.39	401.71	3.83	-83.56
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029267558	0	54	0.0	-75.63	399.90	3.99	-71.64
C[N@@H+]1CC=CCC1CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029267559	0	49	0.0	-83.99	379.06	3.43	-80.56
C[N@H+]1CC=CCC1CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029267559	1	49	0.0	-83.99	379.06	3.43	-80.56
C[C@@H](OCC[NH+](C)C)C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029267586	0	51	0.0	-67.93	403.23	3.13	-64.80
C[NH+]1C2CCC1CC(C(=O)N[C@H]1C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029267620	0	52	0.0	-81.36	387.65	3.52	-77.84
CC(C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300029267758	1	49	0.0	-79.29	386.16	3.30	-75.99
CCC1C[NH+](CC(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029267760	1	48	0.0	-80.08	380.19	3.17	-76.91
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+](C2CCOCC2)C1	REAL300029267762	0	53	0.0	-85.42	410.92	2.24	-83.18
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1([NH+]2CCCC2)CCC1	REAL300029267764	0	52	0.0	-82.56	387.74	4.09	-78.47
C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029267774	1	45	0.0	-78.41	347.48	1.92	-76.49
O=C(CC[N@@H+]1CCC(F)C1)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029267783	1	48	0.0	-85.45	381.98	3.08	-82.37
COC1C[N@@H+](C)C(C)(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029267791	1	52	0.0	-83.84	397.62	1.94	-81.90
O=C(CC[NH+]1CCCCCC1)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029267804	0	54	0.0	-82.78	401.63	3.90	-78.88
O=C(C[NH+]1CCCCC1)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029267806	0	48	0.0	-78.82	369.35	3.15	-75.67
CC1C(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029267816	0	48	0.0	-82.18	365.09	2.44	-79.74
CC1C(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029267816	1	48	0.0	-79.01	373.17	2.88	-76.13
C[N@@H+]1CCCCC1CCC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029267818	0	54	0.0	-78.13	408.86	4.20	-73.93
C[N@H+]1CCCCC1CCC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029267818	1	54	0.0	-78.08	408.39	4.19	-73.89
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+]2CCOCC12	REAL300029267852	0	50	0.0	-77.64	384.36	1.51	-76.13
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+]2CCOCC12	REAL300029267852	1	50	0.0	-85.21	386.55	1.59	-83.62
CC1=[NH+]C=C2C=CC(C(=O)N[C@H]3C[C@H](F)CN(C(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300029267857	0	46	0.0	-77.72	379.21	4.59	-73.13
C[N@@H+]1CCOCC1CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029267876	1	49	0.0	-86.75	377.79	1.13	-85.62
C[N@H+]1CCOCC1CC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029267876	1	49	0.0	-72.99	370.75	0.95	-72.04
CC1=C(C)[NH+]=C(CCC(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029267885	1	49	0.0	-74.95	397.86	2.57	-72.38
CC(C)C[N@@H+]1CCCC(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029267899	0	57	0.0	-71.80	422.59	5.20	-66.60
CC(C)C[N@H+]1CCCC(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029267899	1	57	0.0	-78.32	428.86	4.98	-73.34
C[N@@H+]1CCCC1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029268067	0	45	0.0	-65.98	355.72	2.37	-63.61
C[N@H+]1CCCC1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029268067	1	45	0.0	-71.56	352.66	2.38	-69.18
C[N@@H+]1CCOC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029268093	1	46	0.0	-83.57	356.65	1.59	-81.98
C[N@H+]1CCOC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029268093	1	46	0.0	-70.70	354.88	1.56	-69.14
CC1=[NH+]C=CN1CCCC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029268257	1	49	0.0	-73.13	401.74	4.47	-68.66
O=C(CCCC[NH+]1CCOCC1)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029268261	1	55	0.0	-80.55	429.04	3.16	-77.39
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300029268267	0	51	0.0	-89.32	409.34	4.74	-84.58
O=C(CC[NH+]1CCOCC1)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029268268	1	49	0.0	-80.34	385.46	1.54	-78.80
CCC[NH+](CCC)CCCC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029268290	0	59	0.0	-76.84	453.18	5.77	-71.07
O=C(N[C@H]1C[C@H](F)CN(C(=O)C23CCC[NH+]2CCC3)C1)C1=CC(=O)[N-]O1	REAL300029268305	0	49	0.0	-70.18	361.77	2.93	-67.25
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1)C1=CC(=O)[N-]O1	REAL300029268321	1	43	0.0	-86.81	360.06	4.72	-82.09
C[NH+](C)C1CCCC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029268390	0	54	0.0	-70.00	399.55	3.97	-66.03
C[N@@H+]1CCC(CC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029268393	0	48	0.0	-77.37	377.72	3.19	-74.18
C[N@H+]1CCC(CC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029268393	1	48	0.0	-78.06	377.41	3.18	-74.88
CN(C)C1=CC=[NH+]C=C1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029268405	0	47	0.0	-65.96	384.96	1.33	-64.63
CCC(C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029268410	0	47	0.0	-75.00	358.92	2.49	-72.51
CC1CC2CCC(C(=O)N3C[C@@H](F)C[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300029268463	0	55	0.0	-72.03	417.17	4.71	-67.32
CC1CC2CCC(C(=O)N3C[C@@H](F)C[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300029268463	1	55	0.0	-66.78	409.61	4.90	-61.88
C[NH+](C)CCCCC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029268490	0	50	0.0	-78.58	396.13	3.71	-74.87
CC(C)C(C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029268513	0	50	0.0	-70.31	373.53	3.07	-67.24
CCC[N@H+](C)CCC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029268515	0	50	0.0	-78.26	392.33	3.54	-74.72
CCC[N@@H+](C)CCC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029268515	1	50	0.0	-78.14	392.36	3.55	-74.59
CCC[N@H+](C)CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029268521	0	47	0.0	-75.19	370.00	2.95	-72.24
CCC[N@@H+](C)CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029268521	1	47	0.0	-75.24	369.98	2.92	-72.32
O=C(N[C@H]1C[C@H](F)CN(C(=O)C23CC[N@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300029268548	0	49	0.0	-75.66	362.89	2.32	-73.34
O=C(N[C@H]1C[C@H](F)CN(C(=O)C23CC[N@@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300029268548	1	49	0.0	-79.46	363.88	2.42	-77.04
CCCCCC[N@H+](C)CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029268591	0	56	0.0	-76.44	434.50	5.28	-71.16
CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029268591	1	56	0.0	-76.48	434.43	5.27	-71.21
CC[NH+](CC)C(C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300029268598	0	56	0.0	-73.85	399.30	4.33	-69.52
CC1CC[NH+](CC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029268636	0	51	0.0	-75.82	393.64	4.01	-71.81
C[NH+]1CCC(OCC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029268670	0	52	0.0	-85.90	410.66	3.70	-82.20
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029268733	0	52	0.0	-73.09	391.22	3.97	-69.12
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029268733	1	52	0.0	-71.74	392.71	4.05	-67.69
C[NH+](C)CC1(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029268745	0	48	0.0	-80.18	378.68	3.07	-77.11
CC1=[NH+]C=C2CCC(C(=O)N3C[C@@H](F)C[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300029268746	1	50	0.0	-64.56	398.14	4.13	-60.43
CC(C)[NH+]1CCC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029268758	0	54	0.0	-77.73	409.37	4.28	-73.45
CC[N@H+](C)CCC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029268787	0	47	0.0	-77.50	370.83	2.80	-74.70
CC[N@@H+](C)CCC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029268787	1	47	0.0	-77.35	370.83	2.79	-74.56
CC(C)(C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029268818	0	54	0.0	-68.69	387.67	3.86	-64.83
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2C[NH+]3CCC2CC3)C1)C1=CC(=O)[N-]O1	REAL300029268834	0	49	0.0	-77.27	364.00	2.91	-74.36
C[NH+]1CCC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029268919	0	48	0.0	-80.11	375.13	3.10	-77.01
CC(C)[C@H](C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029268940	0	50	0.0	-70.40	374.17	3.02	-67.38
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2CC[NH+](CC3CC3)CC2)C1)C1=CC(=O)[N-]O1	REAL300029269017	0	55	0.0	-73.61	419.07	4.93	-68.68
CC[NH+](CC)CC(F)C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029269058	0	50	0.0	-78.79	389.16	3.30	-75.49
C[NH+](C)CC1=C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)SC=C1	REAL300029269059	0	48	0.0	-63.70	397.93	3.74	-59.96
CC(C)C[N@@H+]1CCC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029269098	0	54	0.0	-68.78	414.23	4.42	-64.36
CC(C)C[N@H+]1CCC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029269098	1	54	0.0	-77.99	414.27	4.42	-73.57
C[NH+](C)C1(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300029269102	0	48	0.0	-79.37	354.99	2.40	-76.97
CCC(C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029269136	0	53	0.0	-67.92	389.01	3.63	-64.29
CC1CCC[N@@H+]1CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029269159	0	48	0.0	-72.08	375.37	3.30	-68.78
CC1CCC[N@H+]1CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029269159	1	48	0.0	-72.76	375.35	3.28	-69.48
CC(C)C1=[NH+]C=CN1CCC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029269239	1	52	0.0	-71.94	416.15	4.72	-67.22
CC(C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300029269246	0	54	0.0	-69.30	397.95	3.88	-65.42
CC(C)[N@@H+]1CCCCC1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029269248	0	54	0.0	-69.03	399.21	3.91	-65.12
CC(C)[N@H+]1CCCCC1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029269248	1	54	0.0	-67.69	402.41	4.01	-63.68
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029269274	0	51	0.0	-68.92	374.02	3.59	-65.33
CC(C)[N@H+]1CCCC1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029269274	1	51	0.0	-73.50	380.56	3.71	-69.79
C[NH+](C)C(CN1C=CC=N1)C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029269279	1	51	0.0	-67.65	397.27	2.99	-64.66
CC(C)[N@@H+]1CCCC1CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029269284	0	54	0.0	-70.24	399.47	3.62	-66.62
CC(C)[N@H+]1CCCC1CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029269284	1	54	0.0	-66.27	401.37	3.70	-62.57
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300029269285	0	55	0.0	-71.69	410.11	4.84	-66.85
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2CCC[N@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300029269285	1	55	0.0	-72.64	397.85	4.63	-68.01
CC(C)[C@@H](C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029269304	0	50	0.0	-76.33	369.94	2.84	-73.49
CC1CC[N@H+](CC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029269328	0	48	0.0	-74.31	376.12	3.20	-71.11
CC1CC[N@@H+](CC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029269328	1	48	0.0	-74.60	376.04	3.28	-71.32
CC1=[NH+]C=C2CC(C(=O)N3C[C@@H](F)C[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300029269330	1	50	0.0	-73.42	399.11	4.17	-69.25
CC1(C)CC[N@H+](CC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029269333	0	51	0.0	-74.20	395.75	3.77	-70.43
CC1(C)CC[N@@H+](CC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029269333	1	51	0.0	-74.18	395.63	3.77	-70.41
C[N@H+](CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029269334	0	53	0.0	-75.12	398.61	3.92	-71.20
C[N@@H+](CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029269334	1	53	0.0	-75.00	400.89	4.07	-70.93
CC[C@@H](C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029269345	0	47	0.0	-72.28	354.29	2.31	-69.97
CC(COCC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300029269353	0	55	0.0	-76.53	429.32	4.37	-72.16
CN(CCC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300029269497	0	50	0.0	-76.98	405.17	3.23	-73.75
CC1=[NH+]C=CN1CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029269605	1	43	0.0	-71.42	360.11	3.15	-68.27
CC(C[NH+]1CCOCC1)C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029269607	0	52	0.0	-75.20	398.60	2.09	-73.11
O=C(CCC[NH+]1CCCCC1)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029269627	0	54	0.0	-76.85	416.28	4.80	-72.05
C[NH+](C)CC1=CC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300029269647	1	47	0.0	-83.43	385.67	2.78	-80.65
CC1=C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300029269648	0	46	0.0	-83.14	383.32	5.13	-78.01
CC(C)C1=[NH+]C=CN1CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029269687	1	49	0.0	-70.66	396.38	4.27	-66.39
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2CCCC3CCC[N@@H+]32)C1)C1=CC(=O)[N-]O1	REAL300029269735	0	52	0.0	-75.62	387.13	3.99	-71.63
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2CCCC3CCC[N@H+]32)C1)C1=CC(=O)[N-]O1	REAL300029269735	1	52	0.0	-62.41	395.41	4.24	-58.17
CC[N@@H+]1CCOC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029269768	1	49	0.0	-82.48	374.45	2.22	-80.26
CC[N@H+]1CCOC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029269768	1	49	0.0	-75.27	374.57	2.23	-73.04
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300029269833	0	43	0.0	-78.08	365.51	4.90	-73.18
CC1=C[NH+]=CN1CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029269838	1	43	0.0	-75.98	360.50	3.87	-72.11
C[NH+](C)CCN1C=C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300029269841	0	51	0.0	-85.38	413.16	2.74	-82.64
C[NH+](C)CCN1C=CC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029269851	0	51	0.0	-94.48	412.21	3.33	-91.15
C[C@@H]1[C@H](C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029269857	0	48	0.0	-78.64	366.83	2.79	-75.85
C[C@@H]1[C@H](C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029269857	1	48	0.0	-77.79	370.98	3.04	-74.75
CCC1=[NH+]C=CN1C(C)CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029269860	1	52	0.0	-70.50	416.66	4.80	-65.70
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029269863	0	51	0.0	-78.97	383.79	3.04	-75.93
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029269863	1	51	0.0	-78.41	390.01	3.38	-75.03
CC1CCC(C)[NH+]1CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029269881	0	51	0.0	-71.21	387.54	3.40	-67.81
O=C(CCC[NH+]1CCCC1)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029269887	0	51	0.0	-76.46	399.60	4.03	-72.43
C[NH+](C)CC1=CC=CC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029269888	0	51	0.0	-81.74	408.81	4.72	-77.02
C#CC[NH+]1CCC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029269896	0	50	0.0	-82.24	399.80	4.29	-77.95
O=C(CC[NH+]1CCCCC1)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029269897	0	51	0.0	-76.68	394.74	4.00	-72.68
C[NH+](C)CC1=CC=CC=C1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029269902	0	51	0.0	-64.53	404.89	4.76	-59.77
CC[N@@H+]1CCCCC1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029269909	0	51	0.0	-71.23	387.29	3.67	-67.56
CC[N@H+]1CCCCC1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029269909	1	51	0.0	-75.74	381.16	3.40	-72.34
CC(C)C(C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029269910	0	57	0.0	-74.08	410.36	4.74	-69.34
C[NH+](C)C(C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029269913	1	51	0.0	-68.84	398.93	4.74	-64.10
O=C(CN1C=[NH+]C2=C1CCCC2)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029269918	1	50	0.0	-75.64	402.37	5.60	-70.04
C[NH+](C)CC1(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CCCCC1	REAL300029269960	0	57	0.0	-69.42	396.28	4.24	-65.18
C[N@H+](CCC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300029269966	0	57	0.0	-78.58	429.15	5.17	-73.41
C[N@@H+](CCC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300029269966	1	57	0.0	-78.06	429.11	5.18	-72.88
C[NH+](C)C1(CC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029269967	0	54	0.0	-78.99	393.91	4.08	-74.91
C[N@H+](CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029270174	0	48	0.0	-72.47	376.90	3.51	-68.96
C[N@@H+](CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029270174	1	48	0.0	-73.42	376.97	3.51	-69.91
CC(C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300029270204	0	54	0.0	-69.49	399.99	3.76	-65.73
O=C(CCCC[NH+]1CCCC1)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029270220	0	54	0.0	-77.15	421.56	4.86	-72.29
C[N@H+](CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029270222	1	51	0.0	-79.56	407.42	5.10	-74.46
C[N@@H+](CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029270222	1	51	0.0	-79.89	407.44	5.12	-74.77
C[NH+]1CCC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029270237	0	48	0.0	-80.11	375.13	3.10	-77.01
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029270295	0	45	0.0	-72.26	349.43	2.04	-70.22
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029270295	1	45	0.0	-71.38	352.26	2.31	-69.07
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029270319	1	47	0.0	-72.89	375.82	3.28	-69.61
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029270319	1	47	0.0	-73.74	382.63	3.70	-70.04
C[N@@H+]1CCCC1CCC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029270327	0	51	0.0	-80.87	398.15	4.07	-76.80
C[N@H+]1CCCC1CCC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029270327	1	51	0.0	-78.03	394.33	3.92	-74.11
O=C(N[C@H]1C[C@H](F)CN(C(=O)C23CCC[NH+](CCC2)C3)C1)C1=CC(=O)[N-]O1	REAL300029270339	0	52	0.0	-88.13	375.40	3.10	-85.03
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2CCC3CCCC[N@@H+]32)C1)C1=CC(=O)[N-]O1	REAL300029270346	0	52	0.0	-69.54	394.98	4.28	-65.26
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2CCC3CCCC[N@H+]32)C1)C1=CC(=O)[N-]O1	REAL300029270346	1	52	0.0	-70.10	391.89	4.19	-65.91
CCC[N@@H+]1CCCC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029270432	0	54	0.0	-75.67	406.16	4.61	-71.06
CCC[N@H+]1CCCC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029270432	1	54	0.0	-67.47	413.05	4.41	-63.06
CC(C)[N@@H+]1CCOC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029270453	1	52	0.0	-77.52	399.07	2.93	-74.59
CC(C)[N@H+]1CCOC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029270453	1	52	0.0	-75.03	391.64	2.75	-72.28
CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029270471	0	55	0.0	-70.69	402.69	2.15	-68.54
C[N@@H+]1CCCCC1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029270490	0	48	0.0	-70.75	360.10	2.56	-68.19
C[N@H+]1CCCCC1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029270490	1	48	0.0	-68.37	370.04	3.04	-65.33
CC(C)C[N@@H+]1CCCC1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029270518	0	54	0.0	-72.05	408.63	4.14	-67.91
CC(C)C[N@H+]1CCCC1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029270518	1	54	0.0	-73.63	402.07	4.70	-68.93
O=C(C[NH+]1CCC(CO)CC1)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029270536	1	52	0.0	-76.78	404.47	0.69	-76.09
C[NH+]1C2CCC1CC(=CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029270572	0	53	0.0	-66.59	402.69	4.46	-62.13
CC1C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029270590	0	48	0.0	-78.57	366.79	2.77	-75.80
CC1C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029270590	1	48	0.0	-74.25	362.97	2.71	-71.54
C[N@@H+]1CCCCC1CCC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029270592	0	54	0.0	-75.14	412.11	4.50	-70.64
C[N@H+]1CCCCC1CCC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029270592	1	54	0.0	-81.29	404.72	4.29	-77.00
NC1=[NH+]C2=C(C=C1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C1)CCC2	REAL300029270628	1	48	0.0	-67.82	386.89	2.25	-65.57
CC(C)(C)[N@@H+]1CCC1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029270708	0	51	0.0	-74.54	370.64	2.58	-71.96
CC(C)(C)[N@H+]1CCC1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029270708	1	51	0.0	-70.51	369.20	2.36	-68.15
C[C@@H](C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029270730	0	44	0.0	-73.74	344.43	1.82	-71.92
C[NH+](C)CC1=CC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC=N1	REAL300029270749	1	50	0.0	-90.20	404.29	3.25	-86.95
C=CCC(C)(C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029270754	0	51	0.0	-67.31	373.54	2.91	-64.40
NC1=C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]C2=CC=CC=C21	REAL300029270782	1	47	0.0	-73.43	384.61	1.65	-71.78
O=C(CC[NH+]1CCCC1)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029270786	0	48	0.0	-76.87	379.06	3.30	-73.57
C[N@H+](CCO)CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029270796	1	45	0.0	-76.62	358.84	-1.06	-77.68
C[N@@H+](CCO)CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029270796	1	45	0.0	-75.11	358.64	-1.04	-76.15
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2C[N@@H+]3CCN2CCC3)C1)C1=CC(=O)[N-]O1	REAL300029270841	0	51	0.0	-77.45	376.55	0.73	-76.72
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2C[N@H+]3CCN2CCC3)C1)C1=CC(=O)[N-]O1	REAL300029270841	1	51	0.0	-85.71	377.00	0.75	-84.96
CC(C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300029270869	1	49	0.0	-73.57	387.72	3.46	-70.11
C[N@H+]1CC=C(CC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029270913	0	49	0.0	-75.38	389.88	3.90	-71.48
C[N@@H+]1CC=C(CC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029270913	1	49	0.0	-72.80	389.86	3.90	-68.90
C[S+](C)CCC(O)C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029270929	0	47	0.0	-85.19	391.41	0.94	-84.25
C[N@@H+]1CC(O)CC1(C)C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029270951	0	49	0.0	-71.97	369.55	-1.30	-73.27
C[N@H+]1CC(O)CC1(C)C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029270951	1	49	0.0	-72.76	370.78	-1.03	-73.79
CN1CC[N@H+](C)CC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029270966	0	53	0.0	-65.39	402.03	1.60	-63.79
CN1CC[N@@H+](C)CC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029270966	1	53	0.0	-75.30	399.58	1.04	-74.26
CC(C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300029270967	1	52	0.0	-73.52	396.63	0.56	-72.96
CC(C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300029270967	1	52	0.0	-69.41	399.60	0.37	-69.04
NC1=[NH+]C=C2CCCC2=C1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029271000	0	48	0.0	-72.16	391.85	2.33	-69.83
C[N@@H+]1CCCC(O)(CC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029271007	0	52	0.0	-68.80	391.21	1.72	-67.08
C[N@H+]1CCCC(O)(CC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029271007	1	52	0.0	-68.24	400.94	1.90	-66.34
CC1C[NH+](CC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029271014	1	45	0.0	-75.24	362.00	2.61	-72.63
CC[N@@H+]1CCCC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029271021	0	51	0.0	-65.48	383.46	3.78	-61.70
CC[N@H+]1CCCC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029271021	1	51	0.0	-69.20	383.49	3.78	-65.42
NC1=[NH+]C=CC=C1CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029271031	0	44	0.0	-70.22	364.94	1.38	-68.84
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2CCC[N@@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300029271046	0	49	0.0	-69.65	383.07	3.74	-65.91
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2CCC[N@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300029271046	1	49	0.0	-70.21	375.84	3.60	-66.61
O=C(C=CC[NH+]1CCCC1)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029271097	0	49	0.0	-63.97	390.57	3.88	-60.09
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2CC[NH+](C3CC3)CC2)C1)C1=CC(=O)[N-]O1	REAL300029271123	0	52	0.0	-75.75	397.58	4.24	-71.51
CC[N@H+](C)CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029271176	0	44	0.0	-75.00	348.46	2.19	-72.81
CC1=CC=C(NCCC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)N=C1	REAL300029271265	0	50	0.0	-74.09	409.57	2.98	-71.11
CC1=CC=C(NCCC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)[NH+]=C1	REAL300029271265	1	50	0.0	-74.09	409.57	2.98	-71.11
O=C(N[C@H]1C[C@H](F)CN(C(=O)C23CCC[N@@H+]2CCCC3)C1)C1=CC(=O)[N-]O1	REAL300029271393	0	52	0.0	-69.48	375.87	3.24	-66.24
O=C(N[C@H]1C[C@H](F)CN(C(=O)C23CCC[N@H+]2CCCC3)C1)C1=CC(=O)[N-]O1	REAL300029271393	1	52	0.0	-69.48	375.87	3.24	-66.24
O=C(N[C@H]1C[C@H](F)CN(C(=O)C23CCC[N@@H+]2CC=CC3)C1)C1=CC(=O)[N-]O1	REAL300029271404	0	50	0.0	-68.99	369.83	3.14	-65.85
CC(OCC[NH+](C)C)C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029271415	0	51	0.0	-71.39	402.72	3.09	-68.30
C[NH+](C)CCOCCC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029271427	0	51	0.0	-79.47	407.60	2.37	-77.10
COCCN(C)CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029271429	0	48	0.0	-74.63	380.89	1.36	-73.27
COCC[N@H+](C)CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029271429	1	48	0.0	-76.83	381.09	1.34	-75.49
COCC[N@@H+](C)CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029271429	1	48	0.0	-76.83	381.09	1.34	-75.49
CC(CCC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029271436	0	50	0.0	-81.67	384.39	3.29	-78.38
CC[N@H+](CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029271472	0	48	0.0	-71.96	377.11	3.55	-68.41
CC1C[N@@H+]2CCN1C(C(=O)N1C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029271490	0	51	0.0	-76.60	377.18	0.11	-76.49
C[N@@H+]1CC2CC1(C(=O)N1C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029271521	0	46	0.0	-78.35	357.89	2.62	-75.73
CC1=NC(N)=CC=C1C=CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029271531	0	48	0.0	-60.78	394.64	2.24	-58.54
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029271531	1	48	0.0	-60.78	394.64	2.24	-58.54
O=C(C[N@@H+]1CC2CCC1C2)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029271539	0	49	0.0	-73.09	377.59	3.64	-69.45
CC(C)[NH+]1CCC(CC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029271554	0	57	0.0	-74.15	424.56	4.89	-69.26
CC(C[NH+](C)C)C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029271568	0	47	0.0	-66.53	367.04	2.64	-63.89
CCN1CCC1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029271624	0	45	0.0	-74.27	352.31	2.07	-72.20
CC[N@@H+]1CCC1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029271624	1	45	0.0	-74.87	361.85	2.44	-72.43
CC[N@H+]1CCC1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029271624	1	45	0.0	-74.87	361.85	2.44	-72.43
CC(C)[N@@H+]1CCCC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029271638	0	54	0.0	-67.43	401.15	4.38	-63.05
CC(C)[N@H+]1CCCC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029271638	1	54	0.0	-67.43	401.15	4.38	-63.05
CCC(C)(C)[NH2+]C(C)C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029271659	0	53	0.0	-73.18	394.57	2.12	-71.06
CNC1=NC(C)=CC=C1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029271715	0	47	0.0	-70.74	382.77	2.12	-68.62
CNC1=[NH+]C(C)=CC=C1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029271715	1	47	0.0	-70.74	382.77	2.12	-68.62
CCCC(C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029271728	0	50	0.0	-70.55	380.15	3.22	-67.33
C[NH+](C)C(C)(C)C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029271736	0	47	0.0	-78.03	349.59	1.95	-76.08
CC(CC[NH+](C)C)C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029271762	0	50	0.0	-69.54	390.49	3.28	-66.26
O=C(N[C@H]1C[C@H](F)CN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1)C1=CC(=O)[N-]O1	REAL300029271817	0	55	0.0	-66.74	402.55	4.84	-61.90
O=C(N[C@H]1C[C@H](F)CN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1)C1=CC(=O)[N-]O1	REAL300029271817	1	55	0.0	-66.74	402.55	4.84	-61.90
O=C(N[C@H]1C[C@H](F)CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1)C1=CC(=O)[N-]O1	REAL300029271853	0	50	0.0	-74.84	390.69	4.02	-70.82
O=C(N[C@H]1C[C@H](F)CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1)C1=CC(=O)[N-]O1	REAL300029271853	1	50	0.0	-70.47	375.06	3.96	-66.51
C[N@@H+]1CC(C)(C)CC1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029271907	0	51	0.0	-70.55	389.19	3.22	-67.33
C[N@H+]1CC(C)(C)CC1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029271907	1	51	0.0	-74.87	389.63	3.11	-71.76
C[NH+](C)CCCCCC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029271912	0	53	0.0	-77.77	417.63	4.50	-73.27
O=C(CC[NH+]1CCC(O)CC1)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029271917	0	52	0.0	-79.79	405.84	0.65	-79.14
CCC[N@@H+]1CCCCC1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029271923	0	54	0.0	-70.14	399.43	3.95	-66.19
CCC[N@H+]1CCCCC1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029271923	1	54	0.0	-68.25	409.52	4.42	-63.83
CC[NH+]1CCN(CCC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029271932	0	56	0.0	-79.92	429.35	2.25	-77.67
CCN1CC[NH+](CCC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029271932	1	56	0.0	-78.20	429.38	2.24	-75.96
C[NH+]1CCN(CC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029271935	1	50	0.0	-77.90	389.75	1.02	-76.88
CC(C)C[NH+]1CCC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029272064	0	57	0.0	-79.72	429.42	5.11	-74.61
CC1C[N@H+](C)CC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029272067	1	49	0.0	-91.01	384.78	2.48	-88.53
CC1C[N@@H+](C)CC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029272067	1	49	0.0	-84.21	377.89	2.32	-81.89
CCC1CCC[N@H+](CC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029272101	0	54	0.0	-75.45	404.74	4.61	-70.84
CCC1CCC[N@@H+](CC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029272101	1	54	0.0	-72.39	404.23	4.17	-68.22
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029272111	0	49	0.0	-93.63	394.47	2.94	-90.69
O=C(C[NH+]1CC2CC2C1)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029272133	0	46	0.0	-75.24	365.26	3.35	-71.89
O=C(CC1([NH+]2CCCC2)CC1)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029272151	0	52	0.0	-72.58	395.85	4.32	-68.26
CC([NH2+]C1(CO)CCCC1)C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029272168	0	55	0.0	-75.67	411.92	-0.58	-76.25
C[N@@H+]1CCCCC1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029272201	0	48	0.0	-70.75	360.10	2.56	-68.19
C[N@H+]1CCCCC1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029272201	1	48	0.0	-68.37	370.04	3.04	-65.33
CC(C)C[N@@H+]1CCCC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029272213	0	57	0.0	-74.49	428.96	5.05	-69.44
CC(C)C[N@H+]1CCCC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029272213	1	57	0.0	-77.46	431.83	5.17	-72.29
C[NH+](C)C1CCN(CC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029272278	0	56	0.0	-78.32	424.43	2.23	-76.09
C[N@@H+]1CCC(=CC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029272350	0	46	0.0	-66.95	367.39	3.11	-63.84
C[N@H+]1CCC(=CC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029272350	1	46	0.0	-66.85	368.55	3.10	-63.75
O=C(CNC1=CC=[NH+]C=C1)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029272356	0	44	0.0	-78.65	366.49	0.80	-77.85
CC[NH+]1CCN(CC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029272426	0	53	0.0	-77.34	407.29	1.67	-75.67
O=C(C=C1C[NH+]2CCC1CC2)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029272429	0	50	0.0	-65.03	386.05	3.93	-61.10
C[NH+](C)C1(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029272478	0	51	0.0	-63.44	371.43	2.67	-60.77
C[N@H+](CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029272493	0	52	0.0	-69.77	401.22	0.92	-68.85
C[N@@H+](CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029272493	1	52	0.0	-72.68	401.99	0.80	-71.88
CCC1C[NH+](CC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029272499	1	48	0.0	-76.41	383.40	3.38	-73.03
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2C[NH+](C3CCOCC3)C2)C1)C1=CC(=O)[N-]O1	REAL300029272503	0	53	0.0	-79.57	413.35	2.48	-77.09
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2([NH+]3CCCC3)CCC2)C1)C1=CC(=O)[N-]O1	REAL300029272505	0	52	0.0	-69.18	387.58	3.69	-65.49
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029272520	0	45	0.0	-66.47	356.53	2.45	-64.02
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029272520	1	45	0.0	-75.38	349.19	2.07	-73.31
CC[N@@H+]1CCOCC1CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029272560	0	52	0.0	-76.16	394.38	1.90	-74.26
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2C[NH+](C3CCCCC3)C2)C1)C1=CC(=O)[N-]O1	REAL300029272588	0	55	0.0	-80.10	422.67	4.86	-75.24
COC1C[N@@H+]2CCCC2(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029272604	0	53	0.0	-71.16	389.17	2.82	-68.34
COC1C[N@H+]2CCCC2(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029272604	1	53	0.0	-71.16	389.17	2.82	-68.34
NC1=NC2=CC(C(=O)N3C[C@@H](F)C[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)=CC=C2N1	REAL300029272672	0	45	0.0	-80.42	374.51	2.47	-77.95
NC1=[NH+]C2=CC(C(=O)N3C[C@@H](F)C[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)=CC=C2N1	REAL300029272672	1	45	0.0	-80.42	374.51	2.47	-77.95
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029272720	0	48	0.0	-74.30	378.67	3.22	-71.08
C[NH+](C)CCC1(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029272733	0	57	0.0	-71.34	413.90	4.24	-67.10
CC1CCCC(C)[NH+]1CCC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029272735	0	57	0.0	-73.83	421.38	4.68	-69.15
C[NH+](C)C1CCC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029272738	0	54	0.0	-79.95	407.05	4.18	-75.77
C[NH+](C)CCC1(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029272739	0	51	0.0	-83.28	401.51	3.87	-79.41
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029272741	0	54	0.0	-74.53	399.62	4.00	-70.53
C[N@@H+]1CC=CCC1CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029272742	0	49	0.0	-78.73	381.88	3.62	-75.11
C[N@H+]1CC=CCC1CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029272742	1	49	0.0	-80.19	381.81	3.64	-76.55
CC1=CC(C=CC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C[NH+]=C1N	REAL300029272802	1	48	0.0	-60.26	394.85	2.53	-57.73
C[NH+](C)CCOCC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029272816	0	48	0.0	-76.31	386.61	2.65	-73.66
CCCCC[N@H+](C)CCC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029272822	0	56	0.0	-79.15	435.37	5.11	-74.04
CCCCC[N@@H+](C)CCC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029272822	1	56	0.0	-78.97	435.33	5.09	-73.88
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029272835	0	52	0.0	-76.14	406.05	3.37	-72.77
[NH2+]=C1SC=CN1CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029272866	0	41	0.0	-70.03	357.81	1.71	-68.32
C[C@@H](OCC[NH+](C)C)C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029272955	0	51	0.0	-71.40	401.96	3.07	-68.33
O=C(CC[NH+]1CCCCCC1)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029273022	0	54	0.0	-79.18	404.75	4.20	-74.98
C[N@@H+]1CCCC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029273028	0	48	0.0	-68.22	365.58	3.17	-65.05
C[N@H+]1CCCC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029273028	1	48	0.0	-68.22	365.58	3.17	-65.05
O=C(CN1CCC(CO)CC1)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029273029	0	52	0.0	-76.78	404.47	0.69	-76.09
O=C(C[NH+]1CCC(CO)CC1)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029273029	1	52	0.0	-76.78	404.47	0.69	-76.09
CN1C=C[N+](CC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029273042	0	43	0.0	-72.34	361.98	5.04	-67.30
C[N@@H+]1CCCC(C(C)(C)C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029273060	0	57	0.0	-73.08	405.16	3.70	-69.38
C[N@H+]1CCCC(C(C)(C)C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029273060	1	57	0.0	-73.08	405.16	3.70	-69.38
CN(C)CC1=CC=C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029273065	0	48	0.0	-86.67	391.14	3.17	-83.50
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029273065	1	48	0.0	-86.67	391.14	3.17	-83.50
O=C(CN1CCC(O)CC1)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029273090	0	49	0.0	-80.28	383.88	0.04	-80.24
O=C(C[NH+]1CCC(O)CC1)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029273090	1	49	0.0	-80.28	383.88	0.04	-80.24
C[N@H+](CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029273096	0	45	0.0	-72.95	360.15	2.93	-70.02
CC(C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)N1CCN(C)CC1	REAL300029273098	0	53	0.0	-74.49	400.77	1.19	-73.30
CC(C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300029273098	1	53	0.0	-74.49	400.77	1.19	-73.30
O=C(CC[N@H+]1CCC(F)C1)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029273102	0	48	0.0	-79.95	384.93	3.37	-76.58
COC1C[N@H+](C)C(C)(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029273117	0	52	0.0	-70.96	389.91	1.15	-69.81
CC(CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029273139	0	50	0.0	-78.39	387.92	3.59	-74.80
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2CC[N@@H+]3CCOCC23)C1)C1=CC(=O)[N-]O1	REAL300029273161	0	50	0.0	-76.62	382.58	1.64	-74.98
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2CC[N@H+]3CCOCC23)C1)C1=CC(=O)[N-]O1	REAL300029273161	1	50	0.0	-76.62	382.58	1.64	-74.98
CN1CCOCC1CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029273187	0	49	0.0	-82.08	381.36	1.38	-80.70
C[N@@H+]1CCOCC1CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029273187	1	49	0.0	-68.42	373.89	1.25	-67.17
C[N@H+]1CCOCC1CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029273187	1	49	0.0	-68.42	373.89	1.25	-67.17
CC1=CC(N)=NC=C1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029273266	0	44	0.0	-81.18	361.68	0.80	-80.38
CC1=CC(N)=[NH+]C=C1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029273266	1	44	0.0	-81.18	361.68	0.80	-80.38
CC1(O)CC[N@H+](CC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029273324	0	49	0.0	-76.27	387.27	-0.06	-76.33
C[NH+](C)CCN1N=CC=C1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029273332	0	51	0.0	-68.76	407.94	2.75	-66.01
C[NH+]1CC(CC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029273367	0	45	0.0	-77.90	362.03	2.39	-75.51
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2CC[N@@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300029273373	0	52	0.0	-73.48	395.24	3.90	-69.58
C[N@H+](CCO)CCC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029273422	0	48	0.0	-77.18	381.17	-0.43	-77.61
C[N@@H+](CCO)CCC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029273422	1	48	0.0	-77.18	381.17	-0.43	-77.61
C[N@@H+]1CCCCC1CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029273447	0	51	0.0	-65.59	382.45	3.62	-61.97
C[N@H+]1CCCCC1CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029273447	1	51	0.0	-65.59	382.45	3.62	-61.97
CC1=C2C=C(C(=O)N3C[C@@H](F)C[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=N1	REAL300029273477	0	46	0.0	-80.52	387.54	5.50	-75.02
CC1=C2C=C(C(=O)N3C[C@@H](F)C[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029273477	1	46	0.0	-80.52	387.54	5.50	-75.02
CC(C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)N1CC(C)C1	REAL300029273478	0	48	0.0	-72.00	378.48	3.11	-68.89
CC(C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300029273478	1	48	0.0	-72.00	378.48	3.11	-68.89
CC1CCN1CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029273484	0	45	0.0	-72.77	356.49	2.34	-70.43
CC1CC[N@@H+]1CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029273484	1	45	0.0	-74.57	362.04	2.61	-71.96
CC1CC[N@H+]1CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029273484	1	45	0.0	-74.57	362.04	2.61	-71.96
C[NH+](C)CC=CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029273502	0	45	0.0	-65.93	366.89	2.79	-63.14
O=C(CCCC[NH+]1CCCCC1)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029273530	0	57	0.0	-77.22	437.73	5.58	-71.64
CC1=C(C)NC(CCC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029273543	0	49	0.0	-72.44	401.02	2.86	-69.58
CC1=C(C)[NH+]=C(CCC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029273543	1	49	0.0	-72.44	401.02	2.86	-69.58
C[NH+]1CCC(C2(C(=O)N3C[C@@H](F)C[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029273554	0	55	0.0	-65.58	418.76	4.65	-60.93
CC1=C2C=C(C(=O)N3C[C@@H](F)C[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=N1	REAL300029273564	0	46	0.0	-80.52	387.54	5.50	-75.02
CC1=C2C=C(C(=O)N3C[C@@H](F)C[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029273564	1	46	0.0	-80.52	387.54	5.50	-75.02
C[NH+](C)CCSCC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029273576	0	48	0.0	-84.95	397.63	3.56	-81.39
O=C(C[N@H+]1CCCC1CO)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029273605	0	49	0.0	-73.97	380.43	-0.39	-74.36
CC[NH+](CC)CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029273609	0	47	0.0	-72.79	366.72	2.88	-69.91
C[N@H+](CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029273620	0	49	0.0	-81.97	390.12	3.75	-78.22
CC[NH+](CC)CCC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029273682	0	50	0.0	-76.69	384.37	3.22	-73.47
NC(=O)C1CCN(CC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029273707	0	52	0.0	-89.66	408.71	0.07	-89.59
NC(=O)C1CC[NH+](CC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029273707	1	52	0.0	-89.66	408.71	0.07	-89.59
CC(C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)N1CCC(O)CC1	REAL300029273780	0	52	0.0	-76.34	398.46	0.35	-75.99
CC(C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300029273780	1	52	0.0	-76.34	398.46	0.35	-75.99
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2CC3COCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029273788	0	50	0.0	-74.85	389.03	1.82	-73.03
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2CC3COCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029273788	1	50	0.0	-74.85	389.03	1.82	-73.03
CC(C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)N1CCC1	REAL300029273806	0	45	0.0	-75.04	358.39	2.42	-72.62
CC(C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029273806	1	45	0.0	-75.04	358.39	2.42	-72.62
CCC(CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029273817	0	53	0.0	-83.94	405.58	4.20	-79.74
C[NH+](C)CC(C)(C)C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029273826	0	50	0.0	-68.94	364.52	2.50	-66.44
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029273899	0	48	0.0	-70.74	360.18	2.55	-68.19
C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029273899	1	48	0.0	-69.75	371.28	3.12	-66.63
CC1CN2CC[N@@H+]1CC2C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029273916	0	51	0.0	-83.87	380.14	0.13	-83.74
CC1CN2CC[N@H+]1CC2C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029273916	1	51	0.0	-73.90	377.03	0.03	-73.87
C[NH+](C)CC(O)CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029273945	0	48	0.0	-81.27	383.35	0.59	-80.68
C[NH+]1C2CCC1CC(C(=O)N1C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029273948	0	52	0.0	-68.89	375.62	3.25	-65.64
C=CCC(C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029273993	0	48	0.0	-71.72	368.40	2.85	-68.87
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029274005	0	52	0.0	-73.09	391.22	3.97	-69.12
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029274005	1	52	0.0	-71.74	392.71	4.05	-67.69
C[NH+]1CCC(C)(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029274019	0	51	0.0	-69.80	377.58	3.03	-66.77
C[NH+]1CCC(O)(CC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029274024	0	52	0.0	-76.14	401.14	1.85	-74.29
COCC[N@@H+]1CCCC1CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029274039	0	55	0.0	-77.44	419.93	2.91	-74.53
COCC[N@H+]1CCCC1CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029274039	1	55	0.0	-74.62	429.05	3.02	-71.60
C[NH+]1C2CCC1CC(CC(=O)N1C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029274051	0	55	0.0	-80.01	396.49	4.03	-75.98
C[NH+](C)CCN1N=CC=C1C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029274087	0	51	0.0	-70.12	407.43	2.74	-67.38
C[NH+]1CCC(C2(C(=O)N[C@H]3C[C@H](F)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029274132	0	55	0.0	-81.52	414.94	4.92	-76.60
CC1=C2C=C(C(=O)N[C@H]3C[C@H](F)CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029274143	1	46	0.0	-85.83	379.92	5.35	-80.48
C[NH+](C)CCSCC(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029274154	0	48	0.0	-86.66	394.79	3.33	-83.33
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2COCC[N@@H+]2C1	REAL300029274166	0	50	0.0	-81.67	386.57	1.73	-79.94
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2COCC[N@H+]2C1	REAL300029274166	1	50	0.0	-78.09	386.04	1.63	-76.46
C[N@@H+]1CCCC1C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029274325	0	46	0.0	-77.89	364.57	-1.39	-79.28
C[N@H+]1CCCC1C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029274325	1	46	0.0	-79.01	364.57	-1.39	-80.40
C[N@@H+]1CCOC(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029274349	1	47	0.0	-84.10	374.88	-1.65	-85.75
C[N@H+]1CCOC(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029274349	1	47	0.0	-84.13	374.53	-1.63	-85.76
CC(C)C1=[NH+]C=CN1CCC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029274530	1	53	0.0	-73.96	429.97	1.21	-72.75
CC(C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300029274537	0	55	0.0	-76.45	415.65	0.84	-75.61
CC(C)[N@@H+]1CCCCC1C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029274539	0	55	0.0	-73.65	417.46	0.52	-73.13
CC(C)[N@H+]1CCCCC1C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029274539	1	55	0.0	-74.12	411.36	0.58	-73.54
CC(C)[N@@H+]1CCCC1C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029274569	0	52	0.0	-76.83	397.42	0.34	-76.49
CC(C)[N@H+]1CCCC1C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029274569	1	52	0.0	-74.43	403.52	0.17	-74.26
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@@H+]2C1	REAL300029274593	0	53	0.0	-80.03	412.05	0.81	-79.22
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@H+]2C1	REAL300029274593	1	53	0.0	-80.93	412.07	0.80	-80.13
CC(C)C1=[NH+]C=CN1CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029274624	1	50	0.0	-74.29	410.29	0.78	-73.51
CC1=[NH+]C=CN1CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029274674	1	44	0.0	-75.47	373.99	-0.33	-75.80
CC(C[NH+]1CCOCC1)C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029274676	0	53	0.0	-81.25	415.86	-1.21	-82.46
O=C(CCC[NH+]1CCCCC1)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029274698	0	55	0.0	-79.75	430.05	1.30	-78.45
CC(C)(C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029274723	0	55	0.0	-79.62	413.91	1.03	-78.59
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+]2CCC1CC2	REAL300029274741	0	50	0.0	-84.57	385.82	-0.15	-84.72
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC2CCC[N@@H+]21	REAL300029274795	0	53	0.0	-75.39	401.19	0.62	-74.77
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC2CCC[N@H+]21	REAL300029274795	1	53	0.0	-73.30	409.25	0.83	-72.47
C[NH+](C)CCN1C=C(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300029274797	0	52	0.0	-86.46	428.87	-0.45	-86.91
C[NH+](C)CCN1C=CC(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029274811	0	52	0.0	-91.66	429.25	-0.43	-92.09
C[C@@H]1[C@H](C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029274817	0	49	0.0	-80.76	382.20	-0.76	-81.52
C[C@@H]1[C@H](C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029274817	1	49	0.0	-80.68	386.80	-0.50	-81.18
CCC1=[NH+]C=CN1C(C)CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029274820	1	53	0.0	-74.07	430.51	1.26	-72.81
CC[C@@H]1[C@@H](C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029274823	0	52	0.0	-80.53	401.51	-0.26	-80.79
CC[C@@H]1[C@@H](C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029274823	1	52	0.0	-80.84	407.19	0.13	-80.71
CC[N@@H+]1CCOC(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029274847	1	50	0.0	-83.23	392.62	-0.98	-84.21
CC[N@H+]1CCOC(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029274847	1	50	0.0	-81.49	392.65	-1.00	-82.49
CC[NH+](CC)CC(F)C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029274904	0	51	0.0	-81.34	407.87	0.07	-81.27
C[NH+](C)CC1=C(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)SC=C1	REAL300029274905	0	49	0.0	-69.08	410.17	0.66	-68.42
CC1CCC(C)[NH+]1CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029275003	0	52	0.0	-75.71	401.69	0.08	-75.63
O=C(CCC[NH+]1CCCC1)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029275010	0	52	0.0	-79.51	414.39	0.59	-78.92
C[NH+](C)CC1=CC=CC(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029275011	0	52	0.0	-81.33	422.76	1.54	-79.79
C#CC[NH+]1CCC(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029275018	0	51	0.0	-84.20	413.81	0.87	-83.33
O=C(CC[NH+]1CCCCC1)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029275019	0	52	0.0	-79.95	408.10	0.46	-79.49
C[NH+](C)CC1=CC=CC=C1C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029275023	0	52	0.0	-69.42	415.62	1.81	-67.61
CC[N@@H+]1CCCCC1C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029275032	0	52	0.0	-75.21	394.90	0.13	-75.08
CC[N@H+]1CCCCC1C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029275032	1	52	0.0	-75.58	394.91	0.16	-75.42
CC(C)C(C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029275033	0	58	0.0	-75.78	433.86	2.16	-73.62
C[NH+](C)C(C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029275036	1	52	0.0	-77.83	419.21	1.55	-76.28
CC(C)C[N@@H+]1CCC(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029275059	0	55	0.0	-78.72	428.87	1.07	-77.65
CC(C)C[N@H+]1CCC(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029275059	1	55	0.0	-78.62	429.00	1.04	-77.58
C[NH+](C)C1(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300029275063	0	49	0.0	-83.85	377.08	-0.38	-84.23
C[NH+](C)C(CN1C=CC=N1)C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029275065	1	52	0.0	-74.92	417.75	-0.61	-75.53
CC(C)[N@@H+]1CCCC1CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029275070	0	55	0.0	-70.77	413.80	0.59	-70.18
CC(C)[N@H+]1CCCC1CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029275070	1	55	0.0	-72.12	415.06	0.15	-71.97
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@@H+]1C1CCCC1	REAL300029275071	0	56	0.0	-78.90	420.56	1.40	-77.50
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@H+]1C1CCCC1	REAL300029275071	1	56	0.0	-77.30	430.69	1.39	-75.91
CC(C)[C@@H](C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029275092	0	51	0.0	-76.71	388.97	-0.41	-77.12
C[N@H+](CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029275153	0	49	0.0	-76.91	390.77	0.04	-76.87
C[N@@H+](CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029275153	1	49	0.0	-77.35	390.68	0.04	-77.31
CC(C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300029275233	0	55	0.0	-73.06	414.50	0.18	-72.88
CN(CCC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300029275301	0	51	0.0	-77.41	419.29	-0.27	-77.68
C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029275313	1	48	0.0	-77.58	390.97	-0.22	-77.80
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029275313	1	48	0.0	-77.61	397.24	0.27	-77.34
C[N@@H+]1CCCC1CCC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029275322	0	52	0.0	-78.00	406.47	0.10	-77.90
C[N@H+]1CCCC1CCC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029275322	1	52	0.0	-78.25	406.52	0.06	-78.19
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[NH+](CCC1)C2	REAL300029275334	0	53	0.0	-79.58	402.11	0.20	-79.38
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC2CCCC[N@@H+]21	REAL300029275342	0	53	0.0	-76.24	405.24	0.49	-75.75
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC2CCCC[N@H+]21	REAL300029275342	1	53	0.0	-74.56	412.24	0.97	-73.59
CC(C)(C[NH+]1CCOCC1)C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029275350	0	56	0.0	-76.88	425.54	-0.91	-77.79
O=C(CCCC[NH+]1CCCC1)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029275370	0	55	0.0	-80.05	435.89	1.38	-78.67
C[N@H+](CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029275372	1	52	0.0	-83.87	421.21	1.65	-82.22
C[N@@H+](CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029275372	1	52	0.0	-83.92	421.22	1.65	-82.27
C[NH+]1CCC(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029275387	0	49	0.0	-83.31	389.14	-0.28	-83.59
C[NH+](C)CC1=CC(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300029275444	1	48	0.0	-85.56	402.63	-0.97	-86.53
CC1=C(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300029275446	0	47	0.0	-79.08	388.64	1.93	-77.15
C[N@@H+]1CCCCC1C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029275485	0	49	0.0	-76.21	386.53	-0.36	-76.57
C[N@H+]1CCCCC1C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029275485	1	49	0.0	-76.69	377.22	-0.50	-77.19
CC(C)C[N@@H+]1CCCC1C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029275515	0	55	0.0	-78.31	418.86	1.27	-77.04
CC(C)C[N@H+]1CCCC1C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029275515	1	55	0.0	-76.16	429.32	1.25	-74.91
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN2C=[NH+]C=C2C=C1	REAL300029275661	0	44	0.0	-80.16	374.72	1.56	-78.60
CC1=[NH+]C=CN1CCCC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029275673	1	50	0.0	-76.53	415.52	0.96	-75.57
O=C(CCCC[NH+]1CCOCC1)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029275677	1	56	0.0	-83.42	442.83	-0.35	-83.77
C[NH+](C)CC1=CC=C(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300029275683	0	52	0.0	-87.98	422.70	1.55	-86.43
O=C(CC[NH+]1CCOCC1)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029275684	1	50	0.0	-83.42	399.82	-1.94	-85.36
CCC[NH+](CCC)CCCC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029275707	0	60	0.0	-79.80	467.11	2.27	-77.53
CC1=C[NH+]=CN1CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029275727	1	44	0.0	-78.66	373.27	0.36	-78.30
O=C(CN1C=[NH+]C2=C1CCCC2)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029275736	1	51	0.0	-78.16	416.15	2.13	-76.03
C[NH+](C)CC1(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCCC1	REAL300029275778	0	58	0.0	-81.94	429.22	1.73	-80.21
C[N@H+](CCC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300029275784	0	58	0.0	-81.56	442.97	1.65	-79.91
C[N@@H+](CCC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300029275784	1	58	0.0	-81.48	442.97	1.64	-79.84
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[NH+]1CCC2	REAL300029275787	0	50	0.0	-81.73	389.20	0.05	-81.68
C[NH+](C)C1CCCC(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029275826	0	55	0.0	-78.19	423.39	0.90	-77.29
C[N@@H+]1CCC(CC(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029275830	0	49	0.0	-80.94	391.30	-0.38	-81.32
C[N@H+]1CCC(CC(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029275830	1	49	0.0	-81.80	390.72	-0.32	-82.12
CN(C)C1=CC=[NH+]C=C1C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029275843	0	48	0.0	-87.89	395.58	-1.12	-89.01
CCC(C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029275849	0	48	0.0	-76.27	375.27	-1.00	-77.27
C[NH+](C)C1(CC(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029275869	0	55	0.0	-82.06	408.39	0.50	-81.56
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC2=C[NH+]=CN2C=C1	REAL300029275930	1	44	0.0	-84.97	374.99	1.58	-83.39
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300029275971	1	47	0.0	-90.06	404.25	-0.50	-90.56
C[NH+](C)CCCCC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029276002	0	51	0.0	-81.39	409.92	0.19	-81.20
CC(C)C(C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029276023	0	51	0.0	-76.96	394.72	0.08	-76.88
CCC[N@H+](C)CCC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029276025	0	51	0.0	-81.33	406.15	0.01	-81.32
CCC[N@@H+](C)CCC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029276025	1	51	0.0	-81.27	406.15	0.02	-81.25
CCC[N@H+](C)CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029276031	0	48	0.0	-79.13	383.79	-0.54	-79.67
CCC[N@@H+](C)CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029276031	1	48	0.0	-79.23	383.78	-0.54	-79.77
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@H+](C1)CCC2	REAL300029276060	0	50	0.0	-80.12	386.43	-0.73	-80.85
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@@H+](C1)CCC2	REAL300029276060	1	50	0.0	-88.12	385.33	-0.63	-88.75
C[N@@H+]1CCC[C@@H]1C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029276118	0	46	0.0	-78.60	364.74	-1.45	-80.05
C[N@H+]1CCC[C@@H]1C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029276118	1	46	0.0	-76.54	370.67	-0.91	-77.45
CC1CC2CCC(C(=O)NCCC3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300029276143	0	56	0.0	-76.81	432.42	1.42	-75.39
CC1CC2CCC(C(=O)NCCC3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300029276143	1	56	0.0	-71.30	426.73	1.63	-69.67
CCCCCC[N@H+](C)CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029276188	0	57	0.0	-80.42	448.28	1.82	-78.60
CCCCCC[N@@H+](C)CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029276188	1	57	0.0	-80.41	448.28	1.81	-78.60
CC[NH+](CC)C(C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300029276196	0	57	0.0	-76.95	425.51	1.20	-75.75
CC[NH+](CC)CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029276205	0	48	0.0	-77.26	380.66	-0.58	-77.84
CCC[N@@H+]1CCCC(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029276238	0	55	0.0	-72.01	422.07	1.29	-70.72
CCC[N@H+]1CCCC(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029276238	1	55	0.0	-72.62	422.06	1.28	-71.34
CC(C)[N@@H+]1CCOC(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029276260	0	53	0.0	-81.29	409.40	-0.47	-81.76
CC(C)[N@H+]1CCOC(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029276260	1	53	0.0	-79.64	409.41	-0.51	-80.15
CC1CC[NH+](CC(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029276298	0	52	0.0	-79.77	407.51	0.55	-79.22
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300029276326	1	47	0.0	-85.72	403.86	-0.49	-86.21
C[NH+]1CCC(OCC(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029276335	0	53	0.0	-85.58	424.50	0.15	-85.43
C[NH+](C)CC1(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029276351	0	49	0.0	-82.39	396.19	-0.16	-82.55
CC1=[NH+]C=C2CCC(C(=O)NCCC3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300029276352	1	51	0.0	-73.92	412.17	0.80	-73.12
CC(C)[NH+]1CCC(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029276448	0	55	0.0	-80.54	419.81	0.68	-79.86
C[NH+]1CCC(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029276476	0	49	0.0	-83.31	389.14	-0.28	-83.59
CC(C)[C@H](C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029276497	0	51	0.0	-76.87	393.99	0.29	-76.58
CCC(C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029276532	0	54	0.0	-72.93	410.82	0.43	-72.50
CC[N@H+](C)CCC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029276615	0	48	0.0	-80.55	384.65	-0.74	-81.29
CC[N@@H+](C)CCC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029276615	1	48	0.0	-80.52	384.65	-0.72	-81.24
CC1CCC[N@@H+]1CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029276684	0	49	0.0	-76.23	390.43	-0.26	-76.49
CC1CCC[N@H+]1CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029276684	1	49	0.0	-76.62	389.73	-0.17	-76.79
CC1CC[N@H+](CC(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029276686	0	49	0.0	-78.18	390.82	-0.30	-78.48
CC1CC[N@@H+](CC(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029276686	1	49	0.0	-78.61	390.04	-0.19	-78.80
CC(C)(C)[N@@H+]1CCC(F)(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029276687	0	55	0.0	-75.07	426.64	0.34	-74.73
CC(C)(C)[N@H+]1CCC(F)(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029276687	1	55	0.0	-74.91	426.86	0.32	-74.59
CC1=[NH+]C=C2CC(C(=O)NCCC3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300029276689	1	51	0.0	-78.00	413.09	0.79	-77.21
CC1(C)CC[N@H+](CC(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029276692	0	52	0.0	-78.43	409.42	0.30	-78.13
CC1(C)CC[N@@H+](CC(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029276692	1	52	0.0	-78.84	410.14	0.32	-78.52
C[N@H+](CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029276693	0	54	0.0	-79.21	412.38	0.47	-78.74
C[N@@H+](CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029276693	1	54	0.0	-79.07	414.18	0.56	-78.51
CC[C@@H](C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029276704	0	48	0.0	-76.15	375.21	-0.94	-77.09
CC(COCC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300029276712	0	56	0.0	-77.04	441.71	0.77	-76.27
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[NH+](CC2CC2)CC1	REAL300029276797	0	56	0.0	-84.42	438.34	1.94	-82.48
C[NH+]1CCC(O)(CC(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029276938	0	53	0.0	-76.05	412.18	-1.54	-77.59
COCC[N@@H+]1CCCC1CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029276945	0	56	0.0	-69.35	435.16	-0.04	-69.39
COCC[N@H+]1CCCC1CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029276945	1	56	0.0	-77.52	442.99	-0.50	-78.02
C[NH+](C)CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029276953	0	42	0.0	-79.32	344.54	-1.94	-81.26
O=C(C[NH+]1CCC(CO)CC1)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029276958	0	53	0.0	-82.63	418.35	-2.76	-85.39
O=C(C[NH+]1CCCCCC1)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029276962	0	52	0.0	-78.69	395.88	0.09	-78.60
CN1C=C[N+](CC(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029276967	0	44	0.0	-76.55	375.79	1.56	-74.99
C[N@@H+]1CCCC(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029276978	0	49	0.0	-72.77	382.67	-0.09	-72.86
C[N@H+]1CCCC(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029276978	1	49	0.0	-72.57	382.89	-0.12	-72.69
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@@H+]1C1CC1	REAL300029276983	0	50	0.0	-74.27	402.06	0.56	-73.71
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@H+]1C1CC1	REAL300029276983	1	50	0.0	-77.52	395.13	-0.13	-77.65
CC(C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029277018	1	46	0.0	-76.60	372.78	-0.88	-77.48
CCC(CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029277027	0	54	0.0	-85.20	419.38	0.68	-84.52
C[NH+](C)CC(C)(C)C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277035	0	51	0.0	-78.88	394.39	-0.20	-79.08
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC(C1)C[N@@H+]2C1CC1	REAL300029277055	0	51	0.0	-79.76	401.32	0.65	-79.11
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC(C1)C[N@H+]2C1CC1	REAL300029277055	1	51	0.0	-81.29	402.42	1.35	-79.94
O=C(C[NH+]1CCC(O)CC1)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277075	1	50	0.0	-84.09	397.75	-3.41	-87.50
C[N@H+](CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029277076	0	46	0.0	-76.73	373.97	-0.53	-77.26
C[N@@H+](CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029277076	1	46	0.0	-76.86	373.96	-0.53	-77.39
CC(C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300029277077	1	54	0.0	-78.27	417.81	-2.11	-80.38
C[NH+]1CC(CC(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029277102	0	46	0.0	-79.85	376.00	-1.12	-80.97
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+]1C1CCCC1	REAL300029277106	0	53	0.0	-78.28	410.72	0.50	-77.78
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+]1C1CCCC1	REAL300029277106	1	53	0.0	-77.80	409.67	0.53	-77.27
CC(C)(C)[N@@H+]1CCC1C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277114	0	52	0.0	-75.86	406.03	-0.24	-76.10
CC(C)(C)[N@H+]1CCC1C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277114	1	52	0.0	-75.76	405.88	-0.19	-75.95
C[C@@H](C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029277127	0	45	0.0	-77.79	362.73	-1.53	-79.32
CCC1CCC[N@H+](CC(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029277176	0	55	0.0	-79.62	418.52	1.14	-78.48
CCC1CCC[N@@H+](CC(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029277176	1	55	0.0	-79.43	425.56	1.17	-78.26
C[NH+](C)CC1=CC=C(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029277185	0	50	0.0	-91.25	411.18	-0.51	-91.76
C[NH+]1C2CCC1CC(CC(=O)NCCC1(O)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029277199	0	56	0.0	-79.31	410.25	0.51	-78.80
[NH2+]=C1SC=CN1CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277243	0	42	0.0	-75.11	371.63	-1.75	-76.86
C[N@H+](CCO)CCC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277256	0	49	0.0	-80.13	395.01	-3.95	-84.08
C[N@@H+](CCO)CCC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277256	1	49	0.0	-79.91	394.96	-3.95	-83.86
C[C@@H](C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029277257	0	45	0.0	-77.79	362.73	-1.53	-79.32
C[N@@H+]1CCCC[C@@H]1C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277261	0	49	0.0	-76.33	377.21	-0.52	-76.85
C[N@H+]1CCCC[C@@H]1C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277261	1	49	0.0	-75.44	386.51	-0.35	-75.79
CC1CN2CC[N@@H+]1CC2C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277271	0	52	0.0	-85.90	397.13	-3.01	-88.91
CC1CN2CC[N@H+]1CC2C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277271	1	52	0.0	-85.53	397.42	-2.95	-88.48
COC1C[N@@H+]2CCCC2(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029277315	0	54	0.0	-77.23	421.52	-1.08	-78.31
COC1C[N@H+]2CCCC2(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029277315	1	54	0.0	-83.42	422.53	-0.98	-84.40
O=C(CC1=CC2=C[NH+]=CN2C=C1)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277330	0	47	0.0	-77.29	398.96	2.25	-75.04
C[N@H+](CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029277358	0	50	0.0	-83.70	403.76	0.30	-83.40
C[N@@H+](CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029277358	1	50	0.0	-85.65	403.89	0.28	-85.37
O=C(C[NH+]1CCC1)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277359	1	43	0.0	-79.26	354.65	-1.52	-80.78
C[NH+](C)CC1=CC(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC=N1	REAL300029277396	1	51	0.0	-78.85	418.68	-0.29	-79.14
C[N@@H+]1CCC(=CC(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029277398	0	47	0.0	-82.12	383.42	-0.40	-82.52
C[N@H+]1CCC(=CC(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029277398	1	47	0.0	-82.11	383.36	-0.37	-82.48
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+](C2CCCCC2)C1	REAL300029277424	0	56	0.0	-82.42	436.53	1.41	-81.01
C[NH+](C)CCOCC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277440	0	49	0.0	-78.43	400.42	-0.88	-79.31
CCCCC[N@H+](C)CCC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277447	0	57	0.0	-82.20	449.15	1.58	-80.62
CCCCC[N@@H+](C)CCC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277447	1	57	0.0	-82.22	449.15	1.58	-80.64
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029277457	0	53	0.0	-79.69	423.42	0.05	-79.64
C=CCC(C)(C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029277467	0	52	0.0	-84.89	399.28	0.32	-84.57
C[S+](C)CCC(O)C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277472	0	48	0.0	-84.33	409.41	-2.28	-86.61
C[N@@H+]1CC(O)CC1(C)C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277505	0	50	0.0	-85.14	392.04	-3.67	-88.81
CN1CC[N@H+](C)CC(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029277520	0	54	0.0	-76.80	414.70	-1.79	-78.59
CN1CC[N@@H+](C)CC(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029277520	1	54	0.0	-76.80	414.70	-1.79	-78.59
CC(C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300029277521	0	53	0.0	-78.62	415.45	-3.05	-81.67
C[N@@H+]1CCCC(O)(CC(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029277546	0	53	0.0	-74.59	414.81	-1.58	-76.17
C[N@H+]1CCCC(O)(CC(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029277546	1	53	0.0	-74.59	414.81	-1.58	-76.17
CC1CN(CC(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029277550	0	46	0.0	-79.27	375.83	-0.85	-80.12
CC1C[NH+](CC(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029277550	1	46	0.0	-79.27	375.83	-0.85	-80.12
CN(CCO)CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277580	0	46	0.0	-79.95	372.64	-4.50	-84.45
C[N@H+](CCO)CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277580	1	46	0.0	-79.51	372.42	-4.52	-84.03
C[N@@H+](CCO)CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277580	1	46	0.0	-79.51	372.42	-4.52	-84.03
C[NH+]1C2CCC1CC(=CC(=O)NCCC1(O)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029277603	0	54	0.0	-77.52	417.64	1.01	-76.51
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[N@@H+]2CCN1CCC2	REAL300029277608	0	52	0.0	-86.33	394.18	-2.17	-88.50
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[N@H+]2CCN1CCC2	REAL300029277608	1	52	0.0	-86.33	394.18	-2.17	-88.50
CC[N@@H+]1CCCC(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029277616	0	52	0.0	-77.96	406.81	0.34	-77.62
CC[N@H+]1CCCC(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029277616	1	52	0.0	-77.96	406.81	0.34	-77.62
CC(CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029277618	0	51	0.0	-80.39	401.75	0.06	-80.33
CC[N@H+](C)CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277634	0	45	0.0	-78.86	362.29	-1.29	-80.15
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@@H+]1CCCC2	REAL300029277662	0	53	0.0	-73.98	399.88	0.57	-73.41
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@H+]1CCCC2	REAL300029277662	1	53	0.0	-73.98	399.88	0.57	-73.41
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@@H+]1CC=CC2	REAL300029277671	0	51	0.0	-73.31	392.10	0.35	-72.96
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@H+]1CC=CC2	REAL300029277671	1	51	0.0	-73.31	392.10	0.35	-72.96
CC[N@H+](CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029277696	0	49	0.0	-75.49	389.50	-0.18	-75.67
CC[NH+](CC)CCC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277721	0	51	0.0	-79.67	402.50	-0.02	-79.69
CC1(C)CN(CC(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029277753	0	49	0.0	-79.44	395.17	-0.31	-79.75
CC1(C)C[NH+](CC(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029277753	1	49	0.0	-79.44	395.17	-0.31	-79.75
O=C(CCCC[NH+]1CCCCC1)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277759	0	58	0.0	-80.18	451.10	2.06	-78.12
CC1(O)CC[N@H+](CC(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029277792	0	50	0.0	-78.10	400.43	-3.56	-81.66
C[NH+](C)CC=CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277804	0	46	0.0	-83.34	380.52	-0.73	-84.07
CC(OCC[NH+](C)C)C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277828	0	52	0.0	-79.36	419.41	-0.15	-79.51
C[NH+](C)CCOCCC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277839	0	52	0.0	-79.71	421.38	-1.15	-80.86
COCCN(C)CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277840	0	49	0.0	-79.16	394.67	-2.11	-81.27
COCC[N@H+](C)CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277840	1	49	0.0	-80.22	394.89	-2.11	-82.33
COCC[N@@H+](C)CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277840	1	49	0.0	-80.22	394.89	-2.11	-82.33
COCCCC[N@H+](C)CCC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277868	0	58	0.0	-85.16	461.32	-0.13	-85.29
COCCCC[N@@H+](C)CCC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277868	1	58	0.0	-85.15	461.32	-0.12	-85.27
C[NH+](C)C1(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029277893	0	52	0.0	-84.75	396.01	0.33	-84.42
CC(CCC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029277896	0	51	0.0	-82.54	397.90	-0.22	-82.76
CC[N@@H+]1CCC1C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277906	1	46	0.0	-78.40	368.56	-1.13	-79.53
CC[N@H+]1CCC1C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277906	1	46	0.0	-77.81	367.86	-1.38	-79.19
CC(C)[N@@H+]1CCCC(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029277917	0	55	0.0	-71.06	417.19	1.06	-70.00
CC(C)[N@H+]1CCCC(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029277917	1	55	0.0	-76.90	423.30	0.88	-76.02
O=C(C[N@H+]1CCCC1CO)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277931	0	50	0.0	-78.52	394.22	-3.88	-82.40
O=C(C[N@@H+]1CCCC1CO)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277931	1	50	0.0	-78.59	394.19	-3.89	-82.48
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@@H+]2C1	REAL300029277957	0	53	0.0	-80.03	412.05	0.81	-79.22
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@H+]2C1	REAL300029277957	1	53	0.0	-80.93	412.07	0.80	-80.13
C[NH+]1CCC(C)(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029277964	0	52	0.0	-76.58	401.81	0.13	-76.45
C[NH+](C)CC1=CNC(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029277970	0	50	0.0	-84.30	410.92	-0.62	-84.92
CC(C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300029277989	0	53	0.0	-80.15	415.43	-3.05	-83.20
C=CCC(C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029278004	0	49	0.0	-77.77	391.17	-0.27	-78.04
C[N@@H+]1CC(C)(C)CC1C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029278022	0	52	0.0	-77.23	404.31	-0.22	-77.45
C[N@H+]1CC(C)(C)CC1C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029278022	1	52	0.0	-78.48	405.11	-0.30	-78.78
C[NH+](C)CCCCCC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029278027	0	54	0.0	-80.55	431.41	0.97	-79.58
O=C(C[NH+]1CC2CC2C1)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029278037	0	47	0.0	-79.28	379.89	-0.05	-79.33
CC1C[N@@H+]2CCN1C(C(=O)NCCC1(O)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029278072	0	52	0.0	-78.14	390.30	-2.26	-80.40
CC1C[N@H+]2CCN1C(C(=O)NCCC1(O)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029278072	1	52	0.0	-85.76	397.72	-2.93	-88.69
CCCC(C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029278073	0	51	0.0	-77.91	398.67	-0.03	-77.94
C[NH+](C)C(C)(C)C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029278078	0	48	0.0	-83.60	371.83	-0.76	-84.36
C[N@@H+]1CCCCC1C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029278128	0	49	0.0	-76.21	386.53	-0.36	-76.57
C[N@H+]1CCCCC1C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029278128	1	49	0.0	-76.69	377.22	-0.50	-77.19
C[N@H+]1CC=C(CC(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029278178	0	50	0.0	-77.37	403.69	0.39	-76.98
C[N@@H+]1CC=C(CC(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029278178	1	50	0.0	-76.04	403.52	0.35	-75.69
O=C(CC1([NH+]2CCCC2)CC1)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029278188	0	53	0.0	-76.20	410.39	0.79	-75.41
C[N@@H+]1CCCC(C(C)(C)C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029278244	0	58	0.0	-80.27	434.57	1.19	-79.08
C[N@H+]1CCCC(C(C)(C)C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029278244	1	58	0.0	-80.27	434.57	1.19	-79.08
CN(C)CC1=CC=C(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029278249	0	49	0.0	-86.81	408.05	-0.23	-87.04
C[NH+](C)CC1=CC=C(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029278249	1	49	0.0	-86.81	408.05	-0.23	-87.04
O=C(C=CC[NH+]1CCCC1)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029278271	0	50	0.0	-82.33	406.86	0.48	-81.85
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[NH+](C2CC2)CC1	REAL300029278298	0	53	0.0	-80.86	413.99	0.94	-79.92
O=C(CC[NH+]1CCCC1)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029278323	0	49	0.0	-80.02	392.88	-0.21	-80.23
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+]2CCN1CC2	REAL300029278368	0	49	0.0	-87.12	380.93	-3.48	-90.60
C[N@@H+]1CC2CC1(C(=O)NCCC1(O)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029278379	0	47	0.0	-83.07	375.41	-0.83	-83.90
O=C(C[N@@H+]1CC2CCC1C2)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029278394	0	50	0.0	-77.36	391.15	0.15	-77.21
O=C(C[N@H+]1CC2CCC1C2)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029278394	1	50	0.0	-77.36	391.15	0.15	-77.21
CC(C)[NH+]1CCC(CC(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029278406	0	58	0.0	-75.84	438.41	1.38	-74.46
O=C(C=C1C[NH+]2CCC1CC2)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029278456	0	51	0.0	-74.13	400.98	0.47	-73.66
O=C(CN1CC2C=CC1C2)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029278468	0	48	0.0	-77.65	383.91	0.03	-77.62
O=C(C[N@@H+]1CC2C=CC1C2)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029278468	1	48	0.0	-77.56	383.65	0.02	-77.54
O=C(C[N@H+]1CC2C=CC1C2)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029278468	1	48	0.0	-77.56	383.65	0.02	-77.54
CC(C[NH+](C)C)C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029278531	0	48	0.0	-80.04	382.95	-0.65	-80.69
C[N@@H+]1CCCCC1CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029278627	0	52	0.0	-81.89	403.82	0.26	-81.63
C[N@H+]1CCCCC1CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029278627	1	52	0.0	-81.89	403.82	0.26	-81.63
CC1=C2C=C(C(=O)NCCC3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=N1	REAL300029278649	0	47	0.0	-83.25	396.91	2.14	-81.11
CC1=C2C=C(C(=O)NCCC3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029278649	1	47	0.0	-83.25	396.91	2.14	-81.11
CC1CCN1CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029278654	0	46	0.0	-77.00	370.30	-1.12	-78.12
CC1CC[N@@H+]1CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029278654	1	46	0.0	-78.16	375.88	-0.86	-79.02
CC1CC[N@H+]1CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029278654	1	46	0.0	-78.16	375.88	-0.86	-79.02
C[NH+](C)CC(O)CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029278659	0	49	0.0	-83.97	397.03	-2.89	-86.86
CC1CN(C)CC(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029278695	0	50	0.0	-92.14	395.92	-1.19	-93.33
CC1C[N@H+](C)CC(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029278695	1	50	0.0	-90.16	396.40	-0.78	-90.94
CC1C[N@@H+](C)CC(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029278695	1	50	0.0	-90.16	396.40	-0.78	-90.94
O=C(CC[NH+]1CCC(O)CC1)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029278707	0	53	0.0	-83.27	419.65	-2.85	-86.12
CCC[N@@H+]1CCCCC1C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029278710	0	55	0.0	-76.28	425.66	0.98	-75.30
CCC[N@H+]1CCCCC1C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029278710	1	55	0.0	-76.28	425.66	0.98	-75.30
CC[NH+]1CCN(CCC(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029278715	0	57	0.0	-81.49	443.16	-1.29	-82.78
CCN1CC[NH+](CCC(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029278715	1	57	0.0	-81.49	443.16	-1.29	-82.78
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300029278718	0	56	0.0	-72.25	419.21	1.54	-70.71
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300029278718	1	56	0.0	-72.25	419.21	1.54	-70.71
CC(C)C[NH+]1CCC(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029278763	0	58	0.0	-82.82	445.61	1.81	-81.01
C[NH+](C)C1CCN(CC(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029278788	0	57	0.0	-78.59	437.89	-1.22	-79.81
C[NH+](C)[C@H]1C[C@H](C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029278809	0	49	0.0	-78.96	394.10	-0.21	-79.17
CC(CC[NH+](C)C)C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029278817	0	51	0.0	-79.81	404.58	-0.03	-79.84
C[N@H+](CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029278850	0	53	0.0	-76.53	415.58	-2.72	-79.25
C[N@@H+](CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029278850	1	53	0.0	-77.00	415.45	-2.54	-79.54
C#CC[N@H+]1CCCCC1C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029278859	1	51	0.0	-76.83	402.48	0.69	-76.14
C#CC[N@@H+]1CCCCC1C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029278859	1	51	0.0	-77.43	402.23	0.66	-76.77
C[NH+]1CCN(CC(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029278865	1	51	0.0	-78.97	403.57	-2.43	-81.40
CC[NH+]1CCN(CC(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029278874	0	54	0.0	-77.72	421.31	-1.75	-79.47
NC(=[NH2+])SCC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029278905	0	40	0.0	-81.56	353.08	-5.07	-86.63
CC[N@@H+]1CCOCC1CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029278951	0	53	0.0	-80.46	407.94	-1.58	-82.04
C[NH+](C)CCC1(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029278970	0	58	0.0	-72.35	439.58	1.75	-70.60
CC1CCCC(C)[NH+]1CCC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029278972	0	58	0.0	-77.35	435.14	1.16	-76.19
C[NH+](C)C1CCC(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029278975	0	55	0.0	-76.26	416.85	0.74	-75.52
C[NH+](C)CCC1(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029278976	0	52	0.0	-78.46	419.02	0.48	-77.98
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029278980	0	55	0.0	-73.55	416.86	0.76	-72.79
C[N@@H+]1CC=CCC1CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029278981	0	50	0.0	-72.12	390.75	0.06	-72.06
C[N@H+]1CC=CCC1CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029278981	1	50	0.0	-72.12	390.75	0.06	-72.06
C[C@@H](OCC[NH+](C)C)C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029279010	0	52	0.0	-76.42	420.21	-0.19	-76.61
C[NH+]1C2CCC1CC(C(=O)NCCC1(O)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029279044	0	53	0.0	-77.80	387.21	0.57	-77.23
CC(C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300029279185	1	50	0.0	-80.38	399.93	-0.09	-80.47
CCC1C[NH+](CC(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029279187	1	49	0.0	-80.27	397.22	-0.10	-80.37
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+](C2CCOCC2)C1	REAL300029279189	0	54	0.0	-84.69	428.26	-0.98	-85.67
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1([NH+]2CCCC2)CCC1	REAL300029279191	0	53	0.0	-80.77	406.45	0.60	-80.17
C[N@H+]1CCC[C@H]1C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029279202	1	46	0.0	-78.90	364.62	-1.39	-80.29
O=C(CC[N@H+]1CCC(F)C1)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029279211	1	49	0.0	-82.68	399.16	-0.12	-82.80
COC1C[N@@H+](C)C(C)(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029279220	1	53	0.0	-82.70	414.98	-1.49	-84.19
O=C(CC[NH+]1CCCCCC1)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029279233	0	55	0.0	-82.10	418.57	0.68	-81.42
O=C(C[NH+]1CCCCC1)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029279235	0	49	0.0	-78.83	386.27	-0.07	-78.90
CC1C(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029279245	0	49	0.0	-78.63	390.37	-0.43	-79.06
CC1C(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029279245	1	49	0.0	-77.47	385.76	-0.74	-78.21
C[N@@H+]1CCCCC1CCC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029279247	0	55	0.0	-77.79	425.94	0.98	-76.81
C[N@H+]1CCCCC1CCC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029279247	1	55	0.0	-77.38	425.89	1.00	-76.38
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+]2CCOCC12	REAL300029279281	0	51	0.0	-82.96	403.49	-1.68	-84.64
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+]2CCOCC12	REAL300029279281	1	51	0.0	-76.90	399.67	-1.62	-78.52
CC1=[NH+]C=C2C=CC(C(=O)NCCC3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300029279289	0	47	0.0	-76.80	396.15	1.33	-75.47
CN1CCOCC1CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029279308	0	50	0.0	-75.32	387.89	-2.32	-77.64
C[N@@H+]1CCOCC1CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029279308	1	50	0.0	-85.46	395.19	-2.13	-87.59
C[N@H+]1CCOCC1CC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029279308	1	50	0.0	-75.32	387.89	-2.32	-77.64
CC1=C(C)[NH+]=C(CCC(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029279318	1	50	0.0	-74.65	414.79	-0.65	-75.30
CC(C)C[N@@H+]1CCCC(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029279333	0	58	0.0	-72.53	439.48	1.95	-70.58
CC(C)C[N@H+]1CCCC(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029279333	1	58	0.0	-78.86	446.03	1.76	-77.10
C[N@H+]1CCCC1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029279500	1	46	0.0	-68.93	365.56	-1.36	-70.29
CN1CCOC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029279526	0	47	0.0	-76.36	374.43	-1.68	-78.04
C[N@@H+]1CCOC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029279526	1	47	0.0	-72.17	372.36	-1.71	-73.88
C[N@H+]1CCOC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029279526	1	47	0.0	-76.36	374.43	-1.68	-78.04
CC1=[NH+]C=CN1CCCC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029279695	1	50	0.0	-70.64	417.30	1.09	-69.55
O=C(CCCC[NH+]1CCOCC1)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029279699	1	56	0.0	-77.49	444.60	-0.23	-77.72
C[NH+](C)CC1=CC=C(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300029279705	0	52	0.0	-82.85	420.31	1.18	-81.67
O=C(CC[NH+]1CCOCC1)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029279706	1	50	0.0	-75.73	401.56	-1.86	-77.59
CCC[NH+](CCC)CCCC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029279729	0	60	0.0	-73.59	468.89	2.40	-71.19
O=C(NCCC1(O)CN(C(=O)C23CCC[NH+]2CCC3)C1)C1=CC(=O)[N-]O1	REAL300029279745	0	50	0.0	-66.98	386.41	-0.29	-67.27
O=C(NCCC1(O)CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1)C1=CC(=O)[N-]O1	REAL300029279763	1	44	0.0	-78.79	371.88	1.21	-77.58
C[NH+](C)C1CCCC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029279835	0	55	0.0	-74.42	425.86	0.89	-73.53
C[N@@H+]1CCC(CC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029279839	0	49	0.0	-74.49	393.58	-0.25	-74.74
C[N@H+]1CCC(CC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029279839	1	49	0.0	-75.06	392.74	-0.27	-75.33
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029279852	0	48	0.0	-79.69	395.24	-1.65	-81.34
CCC(C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029279858	0	48	0.0	-67.72	375.32	-0.88	-68.60
O=C(NCCC1(O)CN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)C1)C1=CC(=O)[N-]O1	REAL300029279867	1	47	0.0	-83.03	403.96	-0.40	-83.43
CC1CC2CCC(C(=O)N3CC(O)(CCNC(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300029279914	0	56	0.0	-64.83	426.59	1.39	-63.44
CC1CC2CCC(C(=O)N3CC(O)(CCNC(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300029279914	1	56	0.0	-69.70	432.49	1.22	-68.48
C[NH+](C)CCCCC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029279944	0	51	0.0	-75.65	411.70	0.33	-75.32
CC(C)C(C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029279967	0	51	0.0	-67.68	391.48	-0.21	-67.89
CCC[N@H+](C)CCC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029279969	0	51	0.0	-74.02	407.88	0.10	-73.92
CCC[N@@H+](C)CCC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029279969	1	51	0.0	-73.69	408.18	0.13	-73.56
CCC[N@H+](C)CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029279975	0	48	0.0	-70.66	385.52	-0.44	-71.10
CCC[N@@H+](C)CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029279975	1	48	0.0	-70.42	385.81	-0.43	-70.85
O=C(NCCC1(O)CN(C(=O)C23CC[N@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300029280004	0	50	0.0	-78.56	381.87	-0.87	-79.43
O=C(NCCC1(O)CN(C(=O)C23CC[N@@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300029280004	1	50	0.0	-74.21	383.17	-0.86	-75.07
CCCCCC[N@H+](C)CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029280048	0	57	0.0	-71.59	450.31	1.91	-69.68
CCCCCC[N@@H+](C)CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029280048	1	57	0.0	-71.58	450.30	1.91	-69.67
CC[NH+](CC)C(C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300029280056	0	57	0.0	-65.74	423.93	1.08	-64.66
CC1CC[NH+](CC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029280095	0	52	0.0	-70.34	409.17	0.65	-69.69
O=C(NCCC1(O)CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1)C1=CC(=O)[N-]O1	REAL300029280123	1	47	0.0	-80.92	401.03	-0.73	-81.65
C[NH+]1CCC(OCC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029280132	0	53	0.0	-79.61	426.25	0.33	-79.28
O=C(NCCC1(O)CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029280198	0	53	0.0	-70.37	413.59	0.80	-69.57
O=C(NCCC1(O)CN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029280198	1	53	0.0	-72.64	411.20	0.71	-71.93
C[NH+](C)CC1(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029280211	0	49	0.0	-75.81	392.73	-0.39	-76.20
CC1=[NH+]C=C2CCC(C(=O)N3CC(O)(CCNC(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300029280212	1	51	0.0	-67.20	411.58	0.65	-66.55
CC(C)[NH+]1CCC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029280224	0	55	0.0	-74.06	419.21	0.56	-73.50
CC[N@H+](C)CCC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029280257	0	48	0.0	-72.99	386.68	-0.60	-73.59
CC[N@@H+](C)CCC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029280257	1	48	0.0	-73.31	386.38	-0.65	-73.96
CC(C)(C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029280288	0	55	0.0	-69.58	410.10	1.01	-68.57
O=C(NCCC1(O)CN(C(=O)C2C[NH+]3CCC2CC3)C1)C1=CC(=O)[N-]O1	REAL300029280306	0	50	0.0	-75.54	384.93	-0.26	-75.80
C[NH+]1CCC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029280397	0	49	0.0	-76.91	388.55	-0.40	-77.31
CC(C)[C@H](C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029280418	0	51	0.0	-68.75	389.20	-0.36	-69.11
O=C(NCCC1(O)CN(C(=O)C2CC[NH+](CC3CC3)CC2)C1)C1=CC(=O)[N-]O1	REAL300029280503	0	56	0.0	-76.69	437.73	1.81	-74.88
CC[NH+](CC)CC(F)C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029280548	0	51	0.0	-74.38	403.04	-0.25	-74.63
C[NH+](C)CC1=C(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)SC=C1	REAL300029280549	0	49	0.0	-63.98	407.61	0.49	-63.49
CC(C)C[N@@H+]1CCC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029280591	0	55	0.0	-72.43	430.85	1.07	-71.36
CC(C)C[N@H+]1CCC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029280591	1	55	0.0	-73.44	431.45	1.03	-72.41
C[NH+](C)C1(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300029280595	0	49	0.0	-73.59	376.80	-0.62	-74.21
CCC(C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029280630	0	54	0.0	-65.50	410.46	0.38	-65.12
CC1CCC[N@@H+]1CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029280658	0	49	0.0	-66.95	385.25	-0.48	-67.43
CC1CCC[N@H+]1CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029280658	1	49	0.0	-67.01	385.25	-0.47	-67.48
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029280742	1	53	0.0	-67.17	431.74	1.29	-65.88
CC(C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300029280749	0	55	0.0	-67.31	416.43	0.55	-66.76
CC(C)[N@@H+]1CCCCC1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029280751	0	55	0.0	-64.56	419.04	0.64	-63.92
CC(C)[N@H+]1CCCCC1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029280751	1	55	0.0	-66.18	409.12	0.41	-65.77
CC(C)[N@@H+]1CCCC1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029280781	0	52	0.0	-68.39	397.57	0.46	-67.93
CC(C)[N@H+]1CCCC1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029280781	1	52	0.0	-66.35	402.64	0.16	-66.19
C[NH+](C)C(CN1C=CC=N1)C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029280787	1	52	0.0	-76.59	419.74	-0.02	-76.61
CC(C)[N@@H+]1CCCC1CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029280792	0	55	0.0	-65.54	418.04	0.31	-65.23
CC(C)[N@H+]1CCCC1CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029280792	1	55	0.0	-65.66	417.10	0.28	-65.38
O=C(NCCC1(O)CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300029280793	0	56	0.0	-67.15	429.11	1.54	-65.61
O=C(NCCC1(O)CN(C(=O)C2CCC[N@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300029280793	1	56	0.0	-68.43	431.50	1.50	-66.93
CC(C)[C@@H](C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029280814	0	51	0.0	-67.64	390.76	-0.32	-67.96
CC1CC[N@H+](CC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029280843	0	49	0.0	-69.30	392.77	-0.17	-69.47
CC1CC[N@@H+](CC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029280843	1	49	0.0	-69.13	391.93	-0.17	-69.30
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029280844	0	55	0.0	-69.46	427.58	0.38	-69.08
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029280844	1	55	0.0	-66.81	426.75	0.42	-66.39
CC1=[NH+]C=C2CC(C(=O)N3CC(O)(CCNC(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300029280846	1	51	0.0	-69.91	410.93	0.70	-69.21
CC1(C)CC[N@H+](CC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029280849	0	52	0.0	-69.23	411.49	0.32	-68.91
CC1(C)CC[N@@H+](CC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029280849	1	52	0.0	-69.24	411.51	0.33	-68.91
C[N@H+](CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029280850	0	54	0.0	-70.33	414.12	0.54	-69.79
C[N@@H+](CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029280850	1	54	0.0	-70.27	416.07	0.70	-69.57
CC[C@@H](C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029280861	0	48	0.0	-67.44	376.51	-0.85	-68.29
CC(COCC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300029280869	0	56	0.0	-71.55	444.96	0.98	-70.57
CN(CCC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300029281022	0	51	0.0	-70.15	421.01	-0.19	-70.34
CC1=[NH+]C=CN1CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029281137	1	44	0.0	-68.51	375.98	-0.23	-68.74
CC(C[NH+]1CCOCC1)C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029281139	0	53	0.0	-72.17	419.63	-1.27	-73.44
O=C(CCC[NH+]1CCCCC1)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029281161	0	55	0.0	-73.53	431.79	1.38	-72.15
C[NH+](C)CC1=CC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300029281182	1	48	0.0	-81.26	402.61	-0.82	-82.08
CC1=C(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300029281184	0	47	0.0	-76.94	398.26	1.72	-75.22
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029281229	1	50	0.0	-66.85	412.33	0.89	-65.96
O=C(NCCC1(O)CN(C(=O)C2CCCC3CCC[N@@H+]32)C1)C1=CC(=O)[N-]O1	REAL300029281279	0	53	0.0	-66.76	400.34	0.38	-66.38
O=C(NCCC1(O)CN(C(=O)C2CCCC3CCC[N@H+]32)C1)C1=CC(=O)[N-]O1	REAL300029281279	1	53	0.0	-64.29	406.47	0.75	-63.54
CC[N@@H+]1CCOC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029281312	1	50	0.0	-79.51	397.06	-0.86	-80.37
CC[N@H+]1CCOC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029281312	1	50	0.0	-75.45	392.59	-1.08	-76.53
O=C(NCCC1(O)CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300029281381	0	44	0.0	-74.80	372.12	1.20	-73.60
CC1=C[NH+]=CN1CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029281386	1	44	0.0	-71.63	374.99	0.44	-71.19
C[NH+](C)CCN1C=C(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300029281390	0	52	0.0	-81.85	426.04	-0.67	-82.52
C[NH+](C)CCN1C=CC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029281404	0	52	0.0	-83.94	429.15	-0.29	-84.23
C[C@@H]1[C@H](C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029281410	0	49	0.0	-74.26	383.28	-0.61	-74.87
C[C@@H]1[C@H](C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029281410	1	49	0.0	-73.49	389.24	-0.63	-74.12
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029281413	1	53	0.0	-66.81	432.54	1.38	-65.43
CC[C@@H]1[C@@H](C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029281416	0	52	0.0	-74.32	401.99	-0.23	-74.55
CC[C@@H]1[C@@H](C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029281416	1	52	0.0	-71.74	405.72	0.30	-71.44
CC1CCC(C)[NH+]1CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029281436	0	52	0.0	-66.64	403.82	0.12	-66.52
O=C(CCC[NH+]1CCCC1)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029281443	0	52	0.0	-73.43	414.52	0.57	-72.86
C[NH+](C)CC1=CC=CC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029281444	0	52	0.0	-77.26	420.51	1.18	-76.08
C#CC[NH+]1CCC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029281452	0	51	0.0	-78.24	411.51	0.80	-77.44
O=C(CC[NH+]1CCCCC1)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029281453	0	52	0.0	-72.59	409.84	0.54	-72.05
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029281458	0	52	0.0	-64.38	412.60	1.50	-62.88
CC[N@@H+]1CCCCC1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029281467	0	52	0.0	-67.32	393.23	-0.05	-67.37
CC[N@H+]1CCCCC1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029281467	1	52	0.0	-66.78	394.78	-0.06	-66.84
CC(C)C(C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029281468	0	58	0.0	-64.83	434.76	1.52	-63.31
C[NH+](C)C(C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029281471	1	52	0.0	-69.11	416.52	1.49	-67.62
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029281477	1	51	0.0	-69.39	418.19	2.16	-67.23
C[NH+](C)CC1(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)CCCCC1	REAL300029281520	0	58	0.0	-71.06	421.61	1.56	-69.50
C[N@H+](CCC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300029281526	0	58	0.0	-73.93	444.70	1.74	-72.19
C[N@@H+](CCC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300029281526	1	58	0.0	-73.80	444.70	1.74	-72.06
C[NH+](C)C1(CC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029281528	0	55	0.0	-74.11	410.45	0.60	-73.51
C[N@H+](CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029281751	0	49	0.0	-68.35	392.68	0.14	-68.21
C[N@@H+](CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029281751	1	49	0.0	-68.39	392.82	0.15	-68.24
CC(C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300029281782	0	55	0.0	-64.34	416.34	0.31	-64.03
O=C(CCCC[NH+]1CCCC1)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029281799	0	55	0.0	-74.68	436.88	1.40	-73.28
C[N@H+](CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029281801	1	52	0.0	-74.42	422.95	1.73	-72.69
C[N@@H+](CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029281801	1	52	0.0	-74.19	423.29	1.75	-72.44
C[NH+]1CCC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029281816	0	49	0.0	-76.91	388.55	-0.40	-77.31
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029281881	0	46	0.0	-70.69	365.80	-1.41	-72.10
C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029281881	1	46	0.0	-67.77	369.30	-1.07	-68.84
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029281905	1	48	0.0	-67.00	392.33	-0.19	-67.19
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029281905	1	48	0.0	-67.92	398.36	0.39	-67.53
C[N@@H+]1CCCC1CCC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029281914	0	52	0.0	-74.07	413.98	0.67	-73.40
C[N@H+]1CCCC1CCC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029281914	1	52	0.0	-72.05	408.54	0.21	-71.84
O=C(NCCC1(O)CN(C(=O)C23CCC[NH+](CCC2)C3)C1)C1=CC(=O)[N-]O1	REAL300029281926	0	53	0.0	-84.91	396.05	-0.09	-85.00
O=C(NCCC1(O)CN(C(=O)C2CCC3CCCC[N@@H+]32)C1)C1=CC(=O)[N-]O1	REAL300029281934	0	53	0.0	-66.27	406.54	0.60	-65.67
O=C(NCCC1(O)CN(C(=O)C2CCC3CCCC[N@H+]32)C1)C1=CC(=O)[N-]O1	REAL300029281934	1	53	0.0	-67.02	406.94	0.62	-66.40
CCC[N@@H+]1CCCC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029282026	0	55	0.0	-75.13	421.09	0.99	-74.14
CCC[N@H+]1CCCC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029282026	1	55	0.0	-71.96	425.47	0.95	-71.01
CC(C)[N@@H+]1CCOC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029282048	0	53	0.0	-73.87	409.00	-0.53	-74.40
CC(C)[N@H+]1CCOC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029282048	1	53	0.0	-73.14	408.99	-0.51	-73.65
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029282067	0	56	0.0	-71.14	421.43	-1.01	-72.15
C[N@@H+]1CCCCC1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029282087	0	49	0.0	-66.91	387.84	-0.27	-67.18
C[N@H+]1CCCCC1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029282087	1	49	0.0	-68.25	376.69	-0.66	-68.91
CC(C)C[N@@H+]1CCCC1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029282118	0	55	0.0	-67.38	431.39	1.26	-66.12
CC(C)C[N@H+]1CCCC1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029282118	1	55	0.0	-67.48	424.54	0.77	-66.71
O=C(C[NH+]1CCC(CO)CC1)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029282139	0	53	0.0	-71.53	420.00	-2.67	-74.20
C[NH+]1C2CCC1CC(=CC(=O)N1CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029282176	0	54	0.0	-73.51	419.24	1.06	-72.45
CC1C(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029282195	0	49	0.0	-70.61	384.82	-0.76	-71.37
CC1C(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029282195	1	49	0.0	-71.91	388.39	-0.30	-72.21
C[N@@H+]1CCCCC1CCC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029282198	0	55	0.0	-72.20	427.65	1.06	-71.14
C[N@H+]1CCCCC1CCC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029282198	1	55	0.0	-72.07	427.94	1.04	-71.03
NC1=[NH+]C2=C(C=C1C(=O)N1CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C1)CCC2	REAL300029282236	1	49	0.0	-64.66	400.37	-1.02	-65.68
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029282318	0	52	0.0	-67.96	407.95	-0.19	-68.15
CC(C)(C)[N@H+]1CCC1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029282318	1	52	0.0	-67.21	408.14	-0.10	-67.31
C[C@@H](C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029282342	0	45	0.0	-68.98	363.98	-1.47	-70.45
C[NH+](C)CC1=CC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)=CC=N1	REAL300029282362	1	51	0.0	-74.34	416.54	-0.63	-74.97
C=CCC(C)(C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029282368	0	52	0.0	-69.91	390.63	0.08	-69.83
NC1=C(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]C2=CC=CC=C21	REAL300029282399	1	48	0.0	-67.39	395.74	-1.61	-69.00
O=C(CC[NH+]1CCCC1)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029282403	0	49	0.0	-72.72	394.61	-0.13	-72.85
C[N@H+](CCO)CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029282413	1	46	0.0	-71.66	374.37	-4.43	-76.09
C[N@@H+](CCO)CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029282413	1	46	0.0	-71.04	374.46	-4.40	-75.44
O=C(NCCC1(O)CN(C(=O)C2C[N@@H+]3CCN2CCC3)C1)C1=CC(=O)[N-]O1	REAL300029282458	0	52	0.0	-82.01	391.26	-2.27	-84.28
O=C(NCCC1(O)CN(C(=O)C2C[N@H+]3CCN2CCC3)C1)C1=CC(=O)[N-]O1	REAL300029282458	1	52	0.0	-76.03	394.56	-2.58	-78.61
CC(C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300029282489	1	50	0.0	-71.19	404.90	0.13	-71.06
C[N@H+]1CC=C(CC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029282537	0	50	0.0	-72.61	405.74	0.50	-72.11
C[N@@H+]1CC=C(CC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029282537	1	50	0.0	-71.52	405.45	0.45	-71.07
C[S+](C)CCC(O)C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029282554	0	48	0.0	-76.14	407.08	-2.35	-78.49
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029282578	0	50	0.0	-74.70	385.50	-3.81	-78.51
C[N@H+]1CC(O)CC1(C)C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029282578	1	50	0.0	-68.80	391.87	-4.27	-73.07
CN1CC[N@H+](C)CC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029282594	0	54	0.0	-69.50	415.73	-1.95	-71.45
CN1CC[N@@H+](C)CC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029282594	1	54	0.0	-71.61	419.35	-2.26	-73.87
CC(C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300029282595	0	53	0.0	-69.74	415.58	-2.75	-72.49
CC(C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300029282595	1	53	0.0	-69.69	415.42	-2.76	-72.45
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029282629	0	49	0.0	-70.88	407.17	-1.09	-71.97
C[N@@H+]1CCCC(O)(CC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029282636	0	53	0.0	-69.06	407.18	-1.65	-70.71
C[N@H+]1CCCC(O)(CC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029282636	1	53	0.0	-68.71	416.91	-1.45	-70.16
CC1C[NH+](CC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029282643	1	46	0.0	-70.54	377.88	-0.75	-71.29
CC[N@@H+]1CCCC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029282651	0	52	0.0	-71.01	405.99	0.25	-70.76
CC[N@H+]1CCCC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029282651	1	52	0.0	-70.83	406.22	0.22	-70.61
NC1=[NH+]C=CC=C1CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029282661	0	45	0.0	-69.03	380.82	-2.02	-71.05
O=C(NCCC1(O)CN(C(=O)C2CCC[N@@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300029282676	0	50	0.0	-65.88	398.99	0.43	-65.45
O=C(NCCC1(O)CN(C(=O)C2CCC[N@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300029282676	1	50	0.0	-66.17	398.15	0.47	-65.70
O=C(C=CC[NH+]1CCCC1)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029282729	0	50	0.0	-76.10	406.73	0.41	-75.69
O=C(NCCC1(O)CN(C(=O)C2CC[NH+](C3CC3)CC2)C1)C1=CC(=O)[N-]O1	REAL300029282758	0	53	0.0	-73.59	409.14	0.69	-72.90
CC[N@H+](C)CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029282811	0	45	0.0	-70.14	364.31	-1.17	-71.31
O=C(C[N@@H+]1CC2C=CC1C2)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029282878	1	48	0.0	-68.20	385.88	0.13	-68.07
O=C(C[N@H+]1CC2C=CC1C2)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029282878	1	48	0.0	-68.14	385.83	0.13	-68.01
CC1=CC=C(NCCC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)[NH+]=C1	REAL300029282903	1	51	0.0	-68.78	425.19	-0.41	-69.19
O=C(NCCC1(O)CN(C(=O)C2C[NH+]3CCN2CC3)C1)C1=CC(=O)[N-]O1	REAL300029282981	0	49	0.0	-79.61	381.02	-3.51	-83.12
O=C(NCCC1(O)CN(C(=O)C23CCC[N@@H+]2CCCC3)C1)C1=CC(=O)[N-]O1	REAL300029283036	0	53	0.0	-65.59	396.27	0.19	-65.40
O=C(NCCC1(O)CN(C(=O)C23CCC[N@H+]2CCCC3)C1)C1=CC(=O)[N-]O1	REAL300029283036	1	53	0.0	-66.82	399.03	0.39	-66.43
O=C(NCCC1(O)CN(C(=O)C23CCC[N@@H+]2CC=CC3)C1)C1=CC(=O)[N-]O1	REAL300029283047	0	51	0.0	-66.26	390.79	0.00	-66.26
O=C(NCCC1(O)CN(C(=O)C23CCC[N@H+]2CC=CC3)C1)C1=CC(=O)[N-]O1	REAL300029283047	1	51	0.0	-66.42	392.07	0.11	-66.31
CC(OCC[NH+](C)C)C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029283059	0	52	0.0	-72.03	417.66	-0.23	-72.26
C[NH+](C)CCOCCC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029283071	0	52	0.0	-73.86	423.12	-1.06	-74.92
COCC[N@H+](C)CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029283073	1	49	0.0	-70.89	396.71	-2.00	-72.89
COCC[N@@H+](C)CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029283073	1	49	0.0	-71.64	396.62	-2.02	-73.66
O=C(NCCC1(O)CN(C(=O)C2C[NH+](C3CCOC3)C2)C1)C1=CC(=O)[N-]O1	REAL300029283075	0	51	0.0	-75.32	411.80	-1.56	-76.88
CC(CCC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029283080	0	51	0.0	-72.64	403.68	-0.07	-72.71
C[NH+]1CCC(=CC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029283105	0	50	0.0	-75.37	399.72	0.41	-74.96
CC[N@H+](CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029283116	0	49	0.0	-66.92	395.17	0.19	-66.73
CC[N@@H+](CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029283116	1	49	0.0	-69.01	387.94	-0.27	-69.28
C[NH+](C)C1(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)CCCSC1	REAL300029283121	0	53	0.0	-75.60	405.42	0.44	-75.16
CC1C[N@@H+]2CCN1C(C(=O)N1CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029283136	0	52	0.0	-71.04	386.06	-1.43	-72.47
CC1C[N@H+]2CCN1C(C(=O)N1CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029283136	1	52	0.0	-77.01	396.37	-3.04	-80.05
C[N@@H+]1CC2CC1(C(=O)N1CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029283171	0	47	0.0	-76.76	375.43	-0.74	-77.50
C[N@H+]1CC2CC1(C(=O)N1CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029283171	1	47	0.0	-72.13	374.37	-0.69	-72.82
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029283181	1	49	0.0	-72.55	411.06	-1.16	-73.71
O=C(C[N@@H+]1CC2CCC1C2)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029283190	0	50	0.0	-67.70	390.62	0.04	-67.66
O=C(C[N@H+]1CC2CCC1C2)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029283190	1	50	0.0	-67.22	391.02	0.02	-67.20
CC(C)[NH+]1CCC(CC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029283206	0	58	0.0	-69.76	443.80	1.71	-68.05
CC(C[NH+](C)C)C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029283220	0	48	0.0	-73.04	382.39	-0.80	-73.84
C[NH+](C)C1(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029283240	0	46	0.0	-74.75	370.68	-0.94	-75.69
C[C@H](C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029283270	0	45	0.0	-69.26	363.92	-1.46	-70.72
CC[N@@H+]1CCC1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029283281	1	46	0.0	-70.24	378.22	-0.87	-71.11
CC[N@H+]1CCC1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029283281	1	46	0.0	-69.55	369.06	-1.33	-70.88
CC(C)[N@@H+]1CCCC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029283295	0	55	0.0	-70.69	426.39	0.83	-69.86
CC(C)[N@H+]1CCCC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029283295	1	55	0.0	-66.76	416.58	0.87	-65.89
CCC(C)(C)[NH2+]C(C)C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029283317	0	54	0.0	-67.23	409.36	-1.47	-68.70
C#CC[N@H+]1CCCCC1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029283371	1	51	0.0	-67.06	401.88	0.53	-66.53
C#CC[N@@H+]1CCCCC1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029283371	1	51	0.0	-68.09	400.23	0.49	-67.60
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029283375	1	48	0.0	-66.11	394.24	-1.18	-67.29
NC1=CC=[NH+]C=C1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029283376	0	42	0.0	-73.30	352.93	-3.80	-77.10
CCCC(C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029283388	0	51	0.0	-70.40	399.44	0.00	-70.40
C[NH+](C)C(C)(C)C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029283396	0	48	0.0	-74.01	368.98	-0.78	-74.79
CC(CC[NH+](C)C)C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029283422	0	51	0.0	-74.02	404.00	-0.17	-74.19
O=C(NCCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1)C1=CC(=O)[N-]O1	REAL300029283482	0	56	0.0	-72.05	414.72	0.66	-71.39
O=C(NCCC1(O)CN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1)C1=CC(=O)[N-]O1	REAL300029283482	1	56	0.0	-66.11	421.42	1.46	-64.65
O=C(NCCC1(O)CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1)C1=CC(=O)[N-]O1	REAL300029283519	0	51	0.0	-69.01	410.61	0.55	-68.46
O=C(NCCC1(O)CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1)C1=CC(=O)[N-]O1	REAL300029283519	1	51	0.0	-70.72	398.35	1.09	-69.63
COCCCC[N@H+](C)CCC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029283564	0	58	0.0	-77.70	463.06	-0.04	-77.74
COCCCC[N@@H+](C)CCC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029283564	1	58	0.0	-77.43	463.35	-0.02	-77.45
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029283576	0	52	0.0	-67.06	411.86	0.25	-66.81
C[N@H+]1CC(C)(C)CC1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029283576	1	52	0.0	-67.89	406.00	-0.29	-68.18
C[NH+](C)CCCCCC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029283582	0	54	0.0	-75.50	433.19	1.11	-74.39
O=C(CC[NH+]1CCC(O)CC1)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029283587	0	53	0.0	-76.04	421.38	-2.77	-78.81
CCC[N@@H+]1CCCCC1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029283593	0	55	0.0	-66.12	427.32	1.07	-65.05
CCC[N@H+]1CCCCC1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029283593	1	55	0.0	-67.23	427.59	1.12	-66.11
CC[NH+]1CCN(CCC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029283603	0	57	0.0	-74.31	444.70	-1.20	-75.51
CCN1CC[NH+](CCC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029283603	1	57	0.0	-73.86	444.90	-1.20	-75.06
C[NH+]1CCN(CC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029283607	1	51	0.0	-73.14	405.60	-2.36	-75.50
CC(C)C[NH+]1CCC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029283741	0	58	0.0	-75.71	442.76	1.67	-74.04
CC1C[N@H+](C)CC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029283744	1	50	0.0	-84.28	395.45	-1.20	-85.48
CC1C[N@@H+](C)CC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029283744	1	50	0.0	-82.42	395.98	-0.78	-83.20
CCC1CCC[N@H+](CC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029283780	0	55	0.0	-70.30	420.26	1.21	-69.09
CCC1CCC[N@@H+](CC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029283780	1	55	0.0	-69.90	427.58	1.29	-68.61
C[NH+](C)CC1=CC=C(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029283791	0	50	0.0	-82.84	408.69	-0.48	-83.32
O=C(C[NH+]1CC2CC2C1)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029283814	0	47	0.0	-70.29	381.75	0.02	-70.27
O=C(CC1([NH+]2CCCC2)CC1)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029283833	0	53	0.0	-68.48	411.70	0.91	-67.57
CC([NH2+]C1(CO)CCCC1)C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029283851	0	56	0.0	-69.76	426.18	-3.92	-73.68
C[N@@H+]1CCCCC1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029283884	0	49	0.0	-66.91	387.84	-0.27	-67.18
C[N@H+]1CCCCC1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029283884	1	49	0.0	-68.25	376.69	-0.66	-68.91
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029283897	0	58	0.0	-72.02	445.36	1.66	-70.36
CC(C)C[N@H+]1CCCC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029283897	1	58	0.0	-70.69	445.14	1.65	-69.04
C[NH+](C)C1CCN(CC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029283963	0	57	0.0	-73.97	439.92	-1.15	-75.12
C[N@@H+]1CCC(=CC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029284037	0	47	0.0	-77.20	384.07	-0.30	-77.50
C[N@H+]1CCC(=CC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029284037	1	47	0.0	-76.91	385.33	-0.36	-77.27
O=C(CNC1=CC=[NH+]C=C1)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029284043	0	45	0.0	-72.33	382.04	-2.55	-74.88
CC[NH+]1CCN(CC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029284113	0	54	0.0	-71.97	422.84	-1.72	-73.69
O=C(C=C1C[NH+]2CCC1CC2)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029284116	0	51	0.0	-70.14	402.64	0.56	-69.58
C[NH+](C)C1(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029284168	0	52	0.0	-71.73	387.36	-0.11	-71.84
C[N@H+](CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029284185	0	53	0.0	-66.48	417.21	-2.44	-68.92
C[N@@H+](CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029284185	1	53	0.0	-68.97	417.58	-2.65	-71.62
CCC1C[NH+](CC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029284193	1	49	0.0	-71.41	399.04	-0.02	-71.43
O=C(NCCC1(O)CN(C(=O)C2C[NH+](C3CCOCC3)C2)C1)C1=CC(=O)[N-]O1	REAL300029284197	0	54	0.0	-76.96	430.12	-0.83	-77.79
O=C(NCCC1(O)CN(C(=O)C2([NH+]3CCCC3)CCC2)C1)C1=CC(=O)[N-]O1	REAL300029284199	0	53	0.0	-70.17	404.08	0.82	-69.35
C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029284215	0	46	0.0	-67.43	371.36	-0.96	-68.39
C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029284215	1	46	0.0	-68.79	365.58	-1.35	-70.14
CC[N@@H+]1CCOCC1CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029284255	0	53	0.0	-72.96	410.05	-1.55	-74.51
O=C(NCCC1(O)CN(C(=O)C2C[NH+](C3CCCCC3)C2)C1)C1=CC(=O)[N-]O1	REAL300029284283	0	56	0.0	-72.84	438.00	1.50	-71.34
COC1C[N@@H+]2CCCC2(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029284300	0	54	0.0	-73.33	413.64	-1.32	-74.65
COC1C[N@H+]2CCCC2(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029284300	1	54	0.0	-73.33	413.64	-1.32	-74.65
NC1=NC2=CC(C(=O)N3CC(O)(CCNC(=O)C4=CC(=O)[N-]O4)C3)=CC=C2N1	REAL300029284372	0	46	0.0	-74.44	386.51	-1.03	-75.47
NC1=[NH+]C2=CC(C(=O)N3CC(O)(CCNC(=O)C4=CC(=O)[N-]O4)C3)=CC=C2N1	REAL300029284372	1	46	0.0	-74.44	386.51	-1.03	-75.47
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029284421	0	49	0.0	-72.78	395.84	-0.10	-72.88
C[NH+](C)CCC1(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029284434	0	58	0.0	-80.53	442.15	1.30	-79.23
CC1CCCC(C)[NH+]1CCC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029284436	0	58	0.0	-68.77	440.34	1.31	-67.46
C[NH+](C)C1CCC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029284439	0	55	0.0	-71.40	416.66	0.57	-70.83
C[NH+](C)CCC1(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029284440	0	52	0.0	-77.16	419.89	0.61	-76.55
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029284445	0	55	0.0	-72.44	415.70	0.60	-71.84
C[N@@H+]1CC=CCC1CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029284446	0	50	0.0	-64.32	392.81	0.16	-64.16
C[N@H+]1CC=CCC1CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029284446	1	50	0.0	-74.13	397.78	0.22	-73.91
CC1=CC(C=CC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)=C[NH+]=C1N	REAL300029284509	1	49	0.0	-74.90	411.31	-0.90	-75.80
C[NH+](C)CCOCC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029284524	0	49	0.0	-73.08	402.16	-0.77	-73.85
CCCCC[N@H+](C)CCC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029284531	0	57	0.0	-74.97	450.88	1.67	-73.30
CCCCC[N@@H+](C)CCC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029284531	1	57	0.0	-74.63	451.18	1.69	-72.94
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029284545	0	53	0.0	-74.01	424.81	0.17	-73.84
[NH2+]=C1SC=CN1CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029284576	0	42	0.0	-68.03	373.36	-1.68	-69.71
C[C@@H](OCC[NH+](C)C)C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029284670	0	52	0.0	-72.08	417.67	-0.22	-72.30
O=C(CC[NH+]1CCCCCC1)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029284739	0	55	0.0	-74.48	420.28	0.77	-73.71
O=C(C[NH+]1CCCCC1)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029284743	0	49	0.0	-69.91	388.01	-0.01	-69.92
C[N@@H+]1CCCC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029284745	0	49	0.0	-72.86	388.59	-0.46	-73.32
C[N@H+]1CCCC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029284745	1	49	0.0	-74.95	381.93	-0.42	-75.37
O=C(C[NH+]1CCC(CO)CC1)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029284747	0	53	0.0	-71.53	420.00	-2.67	-74.20
O=C(C[NH+]1CCCCCC1)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029284753	0	52	0.0	-69.43	397.36	0.19	-69.24
CN1C=C[N+](CC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029284760	0	44	0.0	-68.83	377.81	1.67	-67.16
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029284779	0	58	0.0	-76.48	429.60	0.83	-75.65
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029284779	1	58	0.0	-76.82	430.30	0.81	-76.01
C[NH+](C)CC1=CC=C(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029284785	1	49	0.0	-79.85	409.01	-0.07	-79.92
C[NH+](C)CC1=CC=C(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300029284793	0	51	0.0	-80.20	415.54	-0.25	-80.45
O=C(C[NH+]1CCC(O)CC1)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029284812	1	50	0.0	-73.44	399.40	-3.32	-76.76
C[N@H+](CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029284818	0	46	0.0	-67.71	375.61	-0.42	-68.13
C[N@@H+](CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029284818	1	46	0.0	-68.05	376.01	-0.43	-68.48
CC(C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300029284820	1	54	0.0	-73.38	419.38	-2.05	-75.43
O=C(CC[N@@H+]1CCC(F)C1)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029284824	0	49	0.0	-77.51	400.64	-0.06	-77.57
O=C(CC[N@H+]1CCC(F)C1)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029284824	1	49	0.0	-78.07	400.54	-0.05	-78.12
COC1C[N@H+](C)C(C)(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029284840	0	53	0.0	-74.04	408.33	-1.78	-75.82
COC1C[N@@H+](C)C(C)(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029284840	1	53	0.0	-66.91	413.29	-1.71	-68.62
CC(CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029284863	0	51	0.0	-75.03	403.47	0.15	-74.88
O=C(NCCC1(O)CN(C(=O)C2CC[N@@H+]3CCOCC23)C1)C1=CC(=O)[N-]O1	REAL300029284885	0	51	0.0	-69.42	400.67	-1.57	-70.99
O=C(NCCC1(O)CN(C(=O)C2CC[N@H+]3CCOCC23)C1)C1=CC(=O)[N-]O1	REAL300029284885	1	51	0.0	-75.11	402.99	-1.67	-76.78
CC1=[NH+]C=C2C=CC(C(=O)N3CC(O)(CCNC(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300029284894	0	47	0.0	-71.10	393.55	0.96	-70.14
C[N@@H+]1CCOCC1CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029284914	1	50	0.0	-77.31	397.23	-2.03	-79.34
C[N@H+]1CCOCC1CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029284914	1	50	0.0	-77.06	397.22	-2.02	-79.08
CC[NH+]1CCN(CC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029284927	0	54	0.0	-71.97	422.84	-1.72	-73.69
CC1=CC(N)=[NH+]C=C1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029284996	1	45	0.0	-73.52	374.02	-2.57	-76.09
NC1=CC=C(CCC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300029284999	0	48	0.0	-71.70	405.60	-1.33	-73.03
CC1(O)CC[N@H+](CC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029285057	0	50	0.0	-70.34	402.58	-3.48	-73.82
CC1(O)CC[N@@H+](CC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029285057	1	50	0.0	-69.54	402.65	-3.48	-73.02
C[NH+](C)CCN1N=CC=C1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029285065	0	52	0.0	-70.47	421.84	-0.66	-71.13
C[NH+]1CC(CC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029285101	0	46	0.0	-73.74	377.62	-0.99	-74.73
O=C(NCCC1(O)CN(C(=O)C2CC[N@@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300029285107	0	53	0.0	-70.75	418.96	1.13	-69.62
O=C(NCCC1(O)CN(C(=O)C2CC[N@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300029285107	1	53	0.0	-70.77	417.26	0.93	-69.84
C[NH+](C)CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029285117	0	42	0.0	-71.37	346.28	-1.86	-73.23
C[N@H+](CCO)CCC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029285162	0	49	0.0	-73.08	397.03	-3.83	-76.91
C[N@@H+](CCO)CCC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029285162	1	49	0.0	-73.05	396.69	-3.86	-76.91
C[C@@H](C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029285163	0	45	0.0	-68.98	363.98	-1.47	-70.45
C[N@@H+]1CCCCC1CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029285188	0	52	0.0	-63.93	398.34	0.21	-63.72
C[N@H+]1CCCCC1CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029285188	1	52	0.0	-64.08	398.03	0.18	-63.90
CC1=C2C=C(C(=O)N3CC(O)(CCNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029285220	1	47	0.0	-77.19	394.33	1.78	-75.41
CC(C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300029285221	1	49	0.0	-69.32	398.04	-0.30	-69.62
CC1CC[N@@H+]1CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029285227	1	46	0.0	-68.62	372.69	-0.98	-69.60
CC1CC[N@H+]1CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029285227	1	46	0.0	-68.81	372.62	-0.98	-69.79
C[NH+](C)CC=CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029285247	0	46	0.0	-77.68	383.37	-0.62	-78.30
CC1(C)C[NH+](CC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029285262	1	49	0.0	-70.66	397.19	-0.27	-70.93
O=C(CCCC[NH+]1CCCCC1)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029285276	0	58	0.0	-74.52	453.28	2.15	-72.37
CC1=C(C)[NH+]=C(CCC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029285290	1	50	0.0	-67.68	417.47	-0.53	-68.21
C[NH+]1CCC(C2(C(=O)N3CC(O)(CCNC(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029285303	0	56	0.0	-78.79	435.62	1.70	-77.09
CC1=C2C=C(C(=O)N3CC(O)(CCNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029285313	1	47	0.0	-77.19	394.33	1.78	-75.41
C[NH+](C)CCSCC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029285325	0	49	0.0	-78.80	413.19	0.09	-78.71
O=C(C[N@H+]1CCCC1CO)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029285354	0	50	0.0	-69.66	400.93	-3.21	-72.87
O=C(C[N@@H+]1CCCC1CO)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029285354	1	50	0.0	-69.02	399.71	-3.25	-72.27
CC[NH+](CC)CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029285357	0	48	0.0	-68.71	382.43	-0.47	-69.18
C[N@H+](CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029285368	0	50	0.0	-75.19	405.78	0.38	-74.81
C[N@@H+](CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029285368	1	50	0.0	-74.79	405.86	0.40	-74.39
O=C(C[NH+]1CCC1)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029285370	1	43	0.0	-71.01	356.39	-1.43	-72.44
CC[NH+](CC)CCC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029285430	0	51	0.0	-72.42	399.93	-0.17	-72.59
NC(=O)C1CC[NH+](CC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029285455	0	53	0.0	-82.99	424.60	-3.29	-86.28
C[NH+](C)CC1=CNC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029285509	0	50	0.0	-77.97	408.82	-0.67	-78.64
CC(C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300029285531	0	53	0.0	-70.49	410.04	-3.21	-73.70
O=C(NCCC1(O)CN(C(=O)C2CC3COCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029285539	0	51	0.0	-73.52	402.99	-1.59	-75.11
O=C(NCCC1(O)CN(C(=O)C2CC3COCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029285539	1	51	0.0	-73.35	402.65	-1.59	-74.94
CC(C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029285558	1	46	0.0	-69.58	376.82	-0.86	-70.44
CCC(CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029285569	0	54	0.0	-76.61	421.42	0.78	-75.83
NC1=CC=C(C=CC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300029285577	0	46	0.0	-75.85	393.45	-1.61	-77.46
C[NH+](C)CC(C)(C)C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029285578	0	51	0.0	-69.56	387.48	-0.31	-69.87
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029285652	0	49	0.0	-68.47	376.68	-0.67	-69.14
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029285652	1	49	0.0	-68.28	388.31	-0.26	-68.54
CC1CN2CC[N@@H+]1CC2C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029285669	0	52	0.0	-75.01	396.02	-3.09	-78.10
CC1CN2CC[N@H+]1CC2C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029285669	1	52	0.0	-74.87	395.96	-3.08	-77.95
C[NH+](C)CC(O)CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029285699	0	49	0.0	-77.74	398.77	-2.80	-80.54
C[NH+]1C2CCC1CC(C(=O)N1CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029285702	0	53	0.0	-71.03	382.61	0.28	-70.75
C=CCC(C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029285751	0	49	0.0	-67.84	389.30	-0.37	-68.21
O=C(NCCC1(O)CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029285763	0	53	0.0	-70.37	413.59	0.80	-69.57
O=C(NCCC1(O)CN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029285763	1	53	0.0	-72.64	411.20	0.71	-71.93
C[NH+]1CCC(C)(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029285777	0	52	0.0	-73.45	396.82	-0.27	-73.72
C[NH+]1CCC(O)(CC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029285782	0	53	0.0	-75.04	417.13	-1.49	-76.53
COCC[N@@H+]1CCCC1CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029285798	0	56	0.0	-71.48	435.44	-0.51	-71.99
COCC[N@H+]1CCCC1CC(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029285798	1	56	0.0	-69.88	444.92	-0.38	-70.26
C[NH+]1C2CCC1CC(CC(=O)N1CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029285812	0	56	0.0	-75.31	411.95	0.60	-74.71
C[NH+](C)CCN1N=CC=C1C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029285852	0	52	0.0	-74.69	424.40	-0.46	-75.15
C[NH+]1CCC(C2(C(=O)NCCC3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029285899	0	56	0.0	-73.31	432.83	1.74	-71.57
CC1=C2C=C(C(=O)NCCC3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029285911	1	47	0.0	-83.25	396.91	2.14	-81.11
C[NH+](C)CCSCC(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029285922	0	49	0.0	-84.93	411.45	0.00	-84.93
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2COCC[N@@H+]2C1	REAL300029285934	0	51	0.0	-81.12	403.23	-1.57	-82.69
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2COCC[N@H+]2C1	REAL300029285934	1	51	0.0	-78.17	402.97	-1.57	-79.74
C[N@@H+]1CCCC1C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029286094	0	46	0.0	-68.14	348.62	0.99	-67.15
C[N@H+]1CCCC1C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029286094	1	46	0.0	-69.25	349.00	1.03	-68.22
C[N@@H+]1CCOC(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029286118	1	47	0.0	-57.31	359.28	0.21	-57.10
C[N@H+]1CCOC(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029286118	1	47	0.0	-73.42	359.42	0.74	-72.68
CC(C)C1=[NH+]C=CN1CCC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029286299	1	53	0.0	-65.60	414.47	3.08	-62.52
CC(C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300029286306	0	55	0.0	-64.38	397.26	2.30	-62.08
CC(C)[N@@H+]1CCCCC1C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029286308	0	55	0.0	-63.87	401.12	2.90	-60.97
CC(C)[N@H+]1CCCCC1C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029286308	1	55	0.0	-63.79	402.11	2.95	-60.84
CC(C)[N@@H+]1CCCC1C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029286338	0	52	0.0	-65.04	388.13	2.03	-63.01
CC(C)[N@H+]1CCCC1C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029286338	1	52	0.0	-67.50	380.63	2.63	-64.87
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@@H+]2C1	REAL300029286362	0	53	0.0	-68.37	395.52	3.14	-65.23
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@H+]2C1	REAL300029286362	1	53	0.0	-71.37	396.52	3.14	-68.23
CC(C)C1=[NH+]C=CN1CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029286393	1	50	0.0	-65.17	394.86	3.21	-61.96
CC1=[NH+]C=CN1CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029286443	1	44	0.0	-66.55	358.54	2.08	-64.47
CC(C[NH+]1CCOCC1)C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029286445	0	53	0.0	-72.00	399.15	0.57	-71.43
O=C(CCC[NH+]1CCCCC1)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029286467	0	55	0.0	-71.85	413.34	3.08	-68.77
CC(C)(C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029286492	0	55	0.0	-66.66	396.90	3.38	-63.28
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+]2CCC1CC2	REAL300029286510	0	50	0.0	-73.23	370.38	2.25	-70.98
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC2CCC[N@@H+]21	REAL300029286564	0	53	0.0	-62.72	392.32	3.27	-59.45
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC2CCC[N@H+]21	REAL300029286564	1	53	0.0	-62.88	392.41	3.25	-59.63
C[NH+](C)CCN1C=C(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300029286566	0	52	0.0	-82.99	412.16	1.35	-81.64
C[NH+](C)CCN1C=CC(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029286580	0	52	0.0	-90.20	412.53	1.36	-88.84
C[C@@H]1[C@H](C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029286586	0	49	0.0	-70.70	365.55	1.53	-69.17
C[C@@H]1[C@H](C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029286586	1	49	0.0	-69.25	368.09	1.33	-67.92
CCC1=[NH+]C=CN1C(C)CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029286589	1	53	0.0	-66.20	415.01	3.13	-63.07
CC[C@@H]1[C@@H](C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029286592	0	52	0.0	-70.52	386.13	2.13	-68.39
CC[C@@H]1[C@@H](C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029286592	1	52	0.0	-74.79	391.31	1.96	-72.83
CC[N@@H+]1CCOC(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029286616	1	50	0.0	-76.35	383.08	0.97	-75.38
CC[N@H+]1CCOC(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029286616	1	50	0.0	-84.33	384.27	1.02	-83.31
CC[NH+](CC)CC(F)C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029286673	0	51	0.0	-64.73	391.33	1.86	-62.87
C[NH+](C)CC1=C(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)SC=C1	REAL300029286674	0	49	0.0	-61.97	393.47	2.42	-59.55
CC1CCC(C)[NH+]1CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029286772	0	52	0.0	-64.13	386.18	1.94	-62.19
O=C(CCC[NH+]1CCCC1)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029286779	0	52	0.0	-71.79	397.66	2.38	-69.41
C[NH+](C)CC1=CC=CC(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029286780	0	52	0.0	-73.93	407.26	3.42	-70.51
C#CC[NH+]1CCC(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029286787	0	51	0.0	-77.59	397.10	2.67	-74.92
O=C(CC[NH+]1CCCCC1)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029286788	0	52	0.0	-69.98	393.06	2.35	-67.63
C[NH+](C)CC1=CC=CC=C1C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029286792	0	52	0.0	-61.85	400.08	4.32	-57.53
CC[N@@H+]1CCCCC1C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029286801	0	52	0.0	-65.60	388.82	2.70	-62.90
CC[N@H+]1CCCCC1C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029286801	1	52	0.0	-67.69	376.74	2.07	-65.62
CC(C)C(C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029286802	0	58	0.0	-70.13	416.80	3.95	-66.18
C[NH+](C)C(C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029286805	1	52	0.0	-71.32	403.71	3.41	-67.91
CC(C)C[N@@H+]1CCC(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029286828	0	55	0.0	-71.04	413.87	2.90	-68.14
CC(C)C[N@H+]1CCC(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029286828	1	55	0.0	-66.65	413.34	2.90	-63.75
C[NH+](C)C1(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300029286832	0	49	0.0	-71.88	363.88	1.22	-70.66
C[NH+](C)C(CN1C=CC=N1)C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029286834	1	52	0.0	-60.12	402.21	1.25	-58.87
CC(C)[N@@H+]1CCCC1CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029286839	0	55	0.0	-58.50	399.78	2.05	-56.45
CC(C)[N@H+]1CCCC1CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029286839	1	55	0.0	-68.01	407.20	3.09	-64.92
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@@H+]1C1CCCC1	REAL300029286840	0	56	0.0	-65.79	410.69	3.42	-62.37
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@H+]1C1CCCC1	REAL300029286840	1	56	0.0	-66.29	414.29	3.86	-62.43
CC(C)[C@@H](C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029286861	0	51	0.0	-68.57	377.71	2.65	-65.92
C[N@H+](CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029286922	0	49	0.0	-64.21	375.19	1.90	-62.31
C[N@@H+](CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029286922	1	49	0.0	-68.09	375.35	2.46	-65.63
CC(C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300029287002	0	55	0.0	-61.48	399.55	2.30	-59.18
CN(CCC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300029287070	0	51	0.0	-65.79	402.31	1.50	-64.29
C#CC[N@H+]1CCC[C@H]1C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029287082	1	48	0.0	-67.56	375.67	2.22	-65.34
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029287082	1	48	0.0	-67.06	380.40	2.16	-64.90
C[N@@H+]1CCCC1CCC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029287091	0	52	0.0	-71.83	396.48	2.97	-68.86
C[N@H+]1CCCC1CCC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029287091	1	52	0.0	-69.29	389.88	1.87	-67.42
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[NH+](CCC1)C2	REAL300029287103	0	53	0.0	-71.78	386.50	2.11	-69.67
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC2CCCC[N@@H+]21	REAL300029287111	0	53	0.0	-66.36	390.81	2.95	-63.41
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC2CCCC[N@H+]21	REAL300029287111	1	53	0.0	-61.67	389.61	2.35	-59.32
CC(C)(C[NH+]1CCOCC1)C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029287119	0	56	0.0	-73.19	408.61	0.91	-72.28
O=C(CCCC[NH+]1CCCC1)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029287139	0	55	0.0	-73.82	419.16	3.16	-70.66
C[N@H+](CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029287141	1	52	0.0	-70.78	405.76	3.51	-67.27
C[N@@H+](CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029287141	1	52	0.0	-70.60	404.55	3.46	-67.14
C[NH+]1CCC(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029287156	0	49	0.0	-78.85	372.43	1.52	-77.33
C[NH+](C)CC1=CC(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300029287213	1	48	0.0	-77.03	385.88	1.39	-75.64
CC1=C(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300029287215	0	47	0.0	-71.85	381.33	4.23	-67.62
C[N@@H+]1CCCCC1C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029287254	0	49	0.0	-67.40	360.43	1.85	-65.55
C[N@H+]1CCCCC1C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029287254	1	49	0.0	-65.95	371.03	2.08	-63.87
CC(C)C[N@@H+]1CCCC1C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029287284	0	55	0.0	-66.25	412.56	3.60	-62.65
CC(C)C[N@H+]1CCCC1C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029287284	1	55	0.0	-67.43	407.87	3.14	-64.29
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN2C=[NH+]C=C2C=C1	REAL300029287430	0	44	0.0	-72.92	359.26	3.44	-69.48
CC1=[NH+]C=CN1CCCC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029287442	1	50	0.0	-70.78	398.81	2.76	-68.02
O=C(CCCC[NH+]1CCOCC1)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029287446	1	56	0.0	-76.56	426.10	1.44	-75.12
C[NH+](C)CC1=CC=C(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300029287452	0	52	0.0	-82.51	407.29	3.42	-79.09
O=C(CC[NH+]1CCOCC1)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029287453	1	50	0.0	-72.31	383.10	-0.15	-72.46
CCC[NH+](CCC)CCCC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029287476	0	60	0.0	-71.71	450.39	4.08	-67.63
CC1=C[NH+]=CN1CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029287496	1	44	0.0	-70.52	358.86	2.27	-68.25
O=C(CN1C=[NH+]C2=C1CCCC2)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029287505	1	51	0.0	-63.20	399.43	3.93	-59.27
C[NH+](C)CC1(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CCCCC1	REAL300029287547	0	58	0.0	-86.39	406.38	3.28	-83.11
C[N@H+](CCC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300029287553	0	58	0.0	-72.14	427.47	3.50	-68.64
C[N@@H+](CCC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300029287553	1	58	0.0	-70.96	427.46	3.52	-67.44
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[NH+]1CCC2	REAL300029287556	0	50	0.0	-69.16	373.67	2.44	-66.72
C[NH+](C)C1CCCC(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029287595	0	55	0.0	-66.16	401.38	2.60	-63.56
C[N@@H+]1CCC(CC(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029287599	0	49	0.0	-72.04	374.82	2.03	-70.01
C[N@H+]1CCC(CC(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029287599	1	49	0.0	-76.16	375.35	1.52	-74.64
CN(C)C1=CC=[NH+]C=C1C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029287612	0	48	0.0	-79.30	379.76	0.74	-78.56
CCC(C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029287618	0	48	0.0	-62.83	356.96	1.00	-61.83
C[NH+](C)C1(CC(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029287638	0	55	0.0	-72.65	391.61	2.85	-69.80
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC2=C[NH+]=CN2C=C1	REAL300029287699	1	44	0.0	-78.95	359.54	3.44	-75.51
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300029287740	1	47	0.0	-86.56	388.75	1.37	-85.19
C[NH+](C)CCCCC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029287771	0	51	0.0	-75.60	393.20	1.99	-73.61
CC(C)C(C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029287792	0	51	0.0	-62.61	378.20	2.15	-60.46
CCC[N@H+](C)CCC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029287794	0	51	0.0	-71.59	390.70	1.87	-69.72
CCC[N@@H+](C)CCC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029287794	1	51	0.0	-71.35	390.65	1.87	-69.48
CCC[N@H+](C)CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029287800	0	48	0.0	-67.05	368.32	1.35	-65.70
CCC[N@@H+](C)CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029287800	1	48	0.0	-67.27	368.30	1.35	-65.92
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@H+](C1)CCC2	REAL300029287829	0	50	0.0	-74.26	370.99	1.12	-73.14
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@@H+](C1)CCC2	REAL300029287829	1	50	0.0	-73.96	370.68	1.16	-72.80
C[N@@H+]1CCC[C@@H]1C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029287887	0	46	0.0	-68.09	348.60	0.98	-67.11
C[N@H+]1CCC[C@@H]1C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029287887	1	46	0.0	-66.03	354.27	1.41	-64.62
CC1CC2CCC(C(=O)NC3COCCN(C(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300029287912	0	56	0.0	-62.83	409.93	3.95	-58.88
CC1CC2CCC(C(=O)NC3COCCN(C(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300029287912	1	56	0.0	-63.00	411.25	4.02	-58.98
CCCCCC[N@H+](C)CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029287957	0	57	0.0	-68.09	431.56	3.63	-64.46
CCCCCC[N@@H+](C)CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029287957	1	57	0.0	-71.32	432.84	4.22	-67.10
CC[NH+](CC)C(C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300029287965	0	57	0.0	-64.14	409.37	3.36	-60.78
CC[NH+](CC)CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029287974	0	48	0.0	-64.92	359.44	0.94	-63.98
CCC[N@@H+]1CCCC(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029288007	0	55	0.0	-69.19	411.50	3.42	-65.77
CCC[N@H+]1CCCC(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029288007	1	55	0.0	-70.96	412.84	2.94	-68.02
CC(C)[N@@H+]1CCOC(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029288029	1	53	0.0	-77.56	393.98	1.37	-76.19
CC(C)[N@H+]1CCOC(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029288029	1	53	0.0	-68.04	392.57	1.86	-66.18
CC1CC[NH+](CC(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029288067	0	52	0.0	-67.44	391.64	2.40	-65.04
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300029288095	1	47	0.0	-80.65	387.15	1.29	-79.36
C[NH+]1CCC(OCC(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029288104	0	53	0.0	-81.80	407.79	1.94	-79.86
C[NH+](C)CC1(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029288120	0	49	0.0	-69.77	377.44	2.07	-67.70
CC1=[NH+]C=C2CCC(C(=O)NC3COCCN(C(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300029288121	1	51	0.0	-66.25	396.76	2.65	-63.60
CC(C)[NH+]1CCC(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029288217	0	55	0.0	-75.61	403.14	2.47	-73.14
C[NH+]1CCC(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029288245	0	49	0.0	-78.85	372.43	1.52	-77.33
CC(C)[C@H](C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029288266	0	51	0.0	-71.00	373.24	1.41	-69.59
CCC(C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029288301	0	54	0.0	-62.01	390.77	2.07	-59.94
CC[N@H+](C)CCC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029288384	0	48	0.0	-70.89	369.15	1.13	-69.76
CC[N@@H+](C)CCC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029288384	1	48	0.0	-70.76	369.15	1.13	-69.63
CC1CCC[N@@H+]1CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029288453	0	49	0.0	-66.56	366.48	1.80	-64.76
CC1CCC[N@H+]1CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029288453	1	49	0.0	-66.54	367.69	1.82	-64.72
CC1CC[N@H+](CC(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029288455	0	49	0.0	-66.53	374.40	1.68	-64.85
CC1CC[N@@H+](CC(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029288455	1	49	0.0	-65.63	373.23	1.55	-64.08
CC(C)(C)[N@@H+]1CCC(F)(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029288456	0	55	0.0	-64.91	410.82	2.77	-62.14
CC(C)(C)[N@H+]1CCC(F)(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029288456	1	55	0.0	-64.69	409.61	2.74	-61.95
CC1=[NH+]C=C2CC(C(=O)NC3COCCN(C(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300029288458	1	51	0.0	-69.03	397.62	2.65	-66.38
CC1(C)CC[N@H+](CC(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029288461	0	52	0.0	-69.36	394.43	2.68	-66.68
CC1(C)CC[N@@H+](CC(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029288461	1	52	0.0	-69.22	394.01	2.71	-66.51
C[N@H+](CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029288462	0	54	0.0	-67.22	396.41	2.30	-64.92
C[N@@H+](CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029288462	1	54	0.0	-69.50	399.43	2.99	-66.51
CC[C@@H](C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029288473	0	48	0.0	-62.85	356.97	1.00	-61.85
CC(COCC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300029288481	0	56	0.0	-72.21	426.42	2.61	-69.60
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[NH+](CC2CC2)CC1	REAL300029288566	0	56	0.0	-74.05	422.81	3.79	-70.26
C[NH+]1CCC(O)(CC(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029288707	0	53	0.0	-67.88	395.40	0.81	-67.07
COCC[N@@H+]1CCCC1CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029288714	0	56	0.0	-61.19	418.34	2.34	-58.85
COCC[N@H+]1CCCC1CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029288714	1	56	0.0	-70.38	419.28	1.46	-68.92
C[NH+](C)CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029288722	0	42	0.0	-67.75	327.84	-0.14	-67.89
O=C(C[NH+]1CCC(CO)CC1)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029288727	1	53	0.0	-68.30	402.47	-0.91	-69.21
O=C(C[NH+]1CCCCCC1)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029288731	0	52	0.0	-69.27	378.66	2.47	-66.80
CN1C=C[N+](CC(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029288736	0	44	0.0	-67.78	359.08	3.35	-64.43
C[N@@H+]1CCCC(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029288747	0	49	0.0	-64.69	366.15	2.26	-62.43
C[N@H+]1CCCC(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029288747	1	49	0.0	-69.83	373.61	1.54	-68.29
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@@H+]1C1CC1	REAL300029288752	0	50	0.0	-67.13	379.39	2.38	-64.75
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@H+]1C1CC1	REAL300029288752	1	50	0.0	-68.72	377.25	3.13	-65.59
CC(C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029288787	1	46	0.0	-64.26	356.80	0.96	-63.30
CCC(CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029288796	0	54	0.0	-72.85	398.86	2.52	-70.33
C[NH+](C)CC(C)(C)C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029288804	0	51	0.0	-70.20	374.87	1.57	-68.63
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC(C1)C[N@@H+]2C1CC1	REAL300029288824	0	51	0.0	-66.06	386.01	3.06	-63.00
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC(C1)C[N@H+]2C1CC1	REAL300029288824	1	51	0.0	-69.59	375.25	3.84	-65.75
O=C(C[NH+]1CCC(O)CC1)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029288844	1	50	0.0	-71.31	381.88	-1.56	-72.87
C[N@H+](CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029288845	0	46	0.0	-63.87	358.32	1.33	-62.54
C[N@@H+](CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029288845	1	46	0.0	-64.19	357.25	1.26	-62.93
CC(C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300029288846	1	54	0.0	-69.60	398.72	0.23	-69.37
C[NH+]1CC(CC(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029288871	0	46	0.0	-68.45	359.30	0.66	-67.79
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+]1C1CCCC1	REAL300029288875	0	53	0.0	-69.18	401.49	3.45	-65.73
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+]1C1CCCC1	REAL300029288875	1	53	0.0	-68.50	392.04	2.80	-65.70
CC(C)(C)[N@@H+]1CCC1C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029288883	0	52	0.0	-63.95	389.54	1.57	-62.38
CC(C)(C)[N@H+]1CCC1C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029288883	1	52	0.0	-66.95	390.73	1.63	-65.32
C[C@@H](C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029288896	0	45	0.0	-68.53	345.78	0.85	-67.68
CCC1CCC[N@H+](CC(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029288945	0	55	0.0	-68.87	401.27	3.08	-65.79
CCC1CCC[N@@H+](CC(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029288945	1	55	0.0	-67.22	410.01	3.03	-64.19
C[NH+](C)CC1=CC=C(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029288954	0	50	0.0	-84.31	394.69	1.02	-83.29
C[NH+]1C2CCC1CC(CC(=O)NC1COCCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029288968	0	56	0.0	-79.67	393.96	2.34	-77.33
[NH2+]=C1SC=CN1CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289012	0	42	0.0	-66.11	356.18	0.65	-65.46
C[N@H+](CCO)CCC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289025	0	49	0.0	-69.60	379.50	-2.09	-71.69
C[N@@H+](CCO)CCC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289025	1	49	0.0	-70.96	379.39	-2.07	-73.03
C[C@@H](C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029289026	0	45	0.0	-68.53	345.78	0.85	-67.68
C[N@@H+]1CCCC[C@@H]1C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289030	0	49	0.0	-63.42	360.38	1.29	-62.13
C[N@H+]1CCCC[C@@H]1C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289030	1	49	0.0	-65.85	370.80	2.06	-63.79
CC1CN2CC[N@@H+]1CC2C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289040	0	52	0.0	-72.62	381.88	-0.56	-73.18
CC1CN2CC[N@H+]1CC2C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289040	1	52	0.0	-65.70	380.70	-1.17	-66.87
COC1C[N@@H+]2CCCC2(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029289084	0	54	0.0	-71.31	406.30	1.49	-69.82
COC1C[N@H+]2CCCC2(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029289084	1	54	0.0	-67.99	405.70	1.35	-66.64
O=C(CC1=CC2=C[NH+]=CN2C=C1)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289099	0	47	0.0	-71.25	382.29	4.03	-67.22
C[N@H+](CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029289127	0	50	0.0	-74.51	387.34	2.08	-72.43
C[N@@H+](CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029289127	1	50	0.0	-68.96	387.11	2.10	-66.86
C[NH+](C)CC1=CC(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC=N1	REAL300029289165	1	51	0.0	-70.03	403.24	1.57	-68.46
C[N@@H+]1CCC(=CC(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029289167	0	47	0.0	-73.40	366.65	1.94	-71.46
C[N@H+]1CCC(=CC(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029289167	1	47	0.0	-74.30	367.96	1.47	-72.83
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+](C2CCCCC2)C1	REAL300029289193	0	56	0.0	-70.19	421.03	3.27	-66.92
C[NH+](C)CCOCC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289209	0	49	0.0	-73.59	383.71	0.91	-72.68
CCCCC[N@H+](C)CCC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289216	0	57	0.0	-72.39	433.65	3.44	-68.95
CCCCC[N@@H+](C)CCC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289216	1	57	0.0	-72.10	433.64	3.43	-68.67
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029289226	0	53	0.0	-71.19	404.99	2.62	-68.57
C=CCC(C)(C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029289236	0	52	0.0	-73.18	380.64	1.78	-71.40
C[S+](C)CCC(O)C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289241	0	48	0.0	-83.74	392.70	-0.52	-84.26
C[N@@H+]1CC(O)CC1(C)C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289274	0	50	0.0	-75.32	375.49	-1.97	-77.29
CN1CC[N@H+](C)CC(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029289289	0	54	0.0	-68.33	397.73	0.02	-68.31
CN1CC[N@@H+](C)CC(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029289289	1	54	0.0	-68.33	397.73	0.02	-68.31
CC(C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)N1CCCC(O)C1	REAL300029289290	0	53	0.0	-66.91	398.84	-1.22	-68.13
CC(C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300029289290	1	53	0.0	-61.95	398.30	-1.21	-63.16
CC(C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300029289290	1	53	0.0	-61.95	398.30	-1.21	-63.16
O=C(CN1CCC(CO)CC1)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289305	0	53	0.0	-68.30	402.47	-0.91	-69.21
O=C(C[NH+]1CCC(CO)CC1)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289305	1	53	0.0	-68.30	402.47	-0.91	-69.21
C[N@@H+]1CCCC(O)(CC(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029289315	0	53	0.0	-59.12	398.19	0.18	-58.94
C[N@H+]1CCCC(O)(CC(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029289315	1	53	0.0	-59.12	398.19	0.18	-58.94
CC1CN(CC(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029289319	0	46	0.0	-70.05	358.74	1.51	-68.54
CC1C[NH+](CC(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029289319	1	46	0.0	-70.05	358.74	1.51	-68.54
NC(=O)C1CCN(CC(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029289324	0	53	0.0	-81.28	406.70	-1.54	-82.82
NC(=O)C1CC[NH+](CC(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029289324	1	53	0.0	-81.28	406.70	-1.54	-82.82
CN(CCO)CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289349	0	46	0.0	-69.78	357.18	-2.64	-72.42
C[N@H+](CCO)CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289349	1	46	0.0	-69.06	355.72	-2.72	-71.78
C[N@@H+](CCO)CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289349	1	46	0.0	-69.06	355.72	-2.72	-71.78
C[NH+]1C2CCC1CC(=CC(=O)NC1COCCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029289372	0	54	0.0	-71.06	401.94	2.62	-68.44
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[N@@H+]2CCN1CCC2	REAL300029289377	0	52	0.0	-83.43	377.18	-0.78	-84.21
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[N@H+]2CCN1CCC2	REAL300029289377	1	52	0.0	-83.43	377.18	-0.78	-84.21
CC[N@@H+]1CCCC(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029289385	0	52	0.0	-68.88	390.02	2.68	-66.20
CC[N@H+]1CCCC(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029289385	1	52	0.0	-68.88	390.02	2.68	-66.20
CC(CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029289387	0	51	0.0	-74.86	385.02	1.85	-73.01
CC[N@H+](C)CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289403	0	45	0.0	-66.80	345.57	0.54	-66.26
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@@H+]1CCCC2	REAL300029289431	0	53	0.0	-64.77	384.56	3.00	-61.77
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@H+]1CCCC2	REAL300029289431	1	53	0.0	-64.77	384.56	3.00	-61.77
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@@H+]1CC=CC2	REAL300029289440	0	51	0.0	-68.08	375.73	2.95	-65.13
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@H+]1CC=CC2	REAL300029289440	1	51	0.0	-68.08	375.73	2.95	-65.13
CC[N@H+](CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029289465	0	49	0.0	-64.91	373.93	1.81	-63.10
CC[NH+](CC)CCC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289490	0	51	0.0	-69.79	385.76	1.76	-68.03
O=C(CCCC[NH+]1CCCCC1)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289528	0	58	0.0	-73.69	434.83	3.86	-69.83
CC1(O)CC[N@H+](CC(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029289561	0	50	0.0	-70.57	384.33	-1.15	-71.72
C[NH+](C)CC=CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289573	0	46	0.0	-73.77	363.80	1.06	-72.71
CC(OCC[NH+](C)C)C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289597	0	52	0.0	-72.08	403.91	1.72	-70.36
C[NH+](C)CCOCCC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289608	0	52	0.0	-71.67	404.66	0.64	-71.03
COCCN(C)CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289609	0	49	0.0	-69.46	377.98	-0.32	-69.78
COCC[N@H+](C)CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289609	1	49	0.0	-70.67	379.45	0.30	-70.37
COCC[N@@H+](C)CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289609	1	49	0.0	-70.67	379.45	0.30	-70.37
COCCCC[N@H+](C)CCC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289637	0	58	0.0	-75.01	445.82	1.72	-73.29
COCCCC[N@@H+](C)CCC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289637	1	58	0.0	-75.01	445.82	1.72	-73.29
C[NH+](C)C1(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029289662	0	52	0.0	-71.27	380.17	2.63	-68.64
CC(CCC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029289665	0	51	0.0	-69.96	385.33	1.59	-68.37
CCN1CCC1C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289675	0	46	0.0	-68.88	359.42	1.38	-67.50
CC[N@@H+]1CCC1C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289675	1	46	0.0	-67.78	360.74	0.90	-66.88
CC[N@H+]1CCC1C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289675	1	46	0.0	-67.78	360.74	0.90	-66.88
CC(C)[N@@H+]1CCCC(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029289686	0	55	0.0	-69.18	408.03	2.72	-66.46
CC(C)[N@H+]1CCCC(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029289686	1	55	0.0	-69.18	408.03	2.72	-66.46
O=C(C[N@H+]1CCCC1CO)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289700	0	50	0.0	-68.63	381.88	-1.08	-69.71
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@@H+]2C1	REAL300029289726	0	53	0.0	-71.37	396.52	3.14	-68.23
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@H+]2C1	REAL300029289726	1	53	0.0	-71.37	396.52	3.14	-68.23
C[NH+]1CCC(C)(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029289733	0	52	0.0	-57.93	384.79	1.97	-55.96
CC(C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)N1CCC(O)CC1	REAL300029289758	0	53	0.0	-66.79	391.20	-1.32	-68.11
CC(C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300029289758	1	53	0.0	-66.79	391.20	-1.32	-68.11
C=CCC(C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029289773	0	49	0.0	-60.13	372.29	1.36	-58.77
C[N@@H+]1CC(C)(C)CC1C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289791	0	52	0.0	-69.31	393.69	2.06	-67.25
C[NH+](C)CCCCCC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289796	0	54	0.0	-76.10	414.70	2.77	-73.33
CC1C[N@@H+]2CCN1C(C(=O)NC1COCCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029289841	0	52	0.0	-70.25	366.39	-0.63	-70.88
CCCC(C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029289842	0	51	0.0	-69.68	379.66	1.67	-68.01
C[NH+](C)C(C)(C)C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289847	0	48	0.0	-75.16	354.19	1.11	-74.05
C[N@@H+]1CCCCC1C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289897	0	49	0.0	-67.40	360.43	1.85	-65.55
C[N@H+]1CCCCC1C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289897	1	49	0.0	-65.95	371.03	2.08	-63.87
C[N@H+]1CC=C(CC(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029289947	0	50	0.0	-69.36	386.89	2.75	-66.61
C[N@@H+]1CC=C(CC(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029289947	1	50	0.0	-67.70	386.96	2.75	-64.95
O=C(CC1([NH+]2CCCC2)CC1)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289957	0	53	0.0	-67.55	392.54	3.11	-64.44
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029290013	0	58	0.0	-72.52	411.42	3.16	-69.36
C[N@H+]1CCCC(C(C)(C)C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029290013	1	58	0.0	-72.52	411.42	3.16	-69.36
CN(C)CC1=CC=C(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029290018	0	49	0.0	-74.83	392.35	2.23	-72.60
C[NH+](C)CC1=CC=C(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029290018	1	49	0.0	-74.83	392.35	2.23	-72.60
O=C(C=CC[NH+]1CCCC1)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029290040	0	50	0.0	-75.49	391.35	2.34	-73.15
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[NH+](C2CC2)CC1	REAL300029290067	0	53	0.0	-75.04	402.94	2.99	-72.05
O=C(CC[NH+]1CCCC1)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029290092	0	49	0.0	-70.53	377.38	1.65	-68.88
C[N@@H+]1CC2CC1(C(=O)NC1COCCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029290148	0	47	0.0	-77.73	358.51	1.09	-76.64
O=C(C[N@@H+]1CC2CCC1C2)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029290163	0	50	0.0	-67.78	375.53	2.57	-65.21
CC(C)[NH+]1CCC(CC(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029290175	0	58	0.0	-71.43	422.90	3.25	-68.18
O=C(C=C1C[NH+]2CCC1CC2)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029290225	0	51	0.0	-65.59	384.33	2.27	-63.32
O=C(CN1CC2C=CC1C2)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029290237	0	48	0.0	-65.25	367.12	1.85	-63.40
O=C(C[N@@H+]1CC2C=CC1C2)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029290237	1	48	0.0	-65.79	368.33	1.92	-63.87
O=C(C[N@H+]1CC2C=CC1C2)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029290237	1	48	0.0	-65.79	368.33	1.92	-63.87
CC(C[NH+](C)C)C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029290300	0	48	0.0	-70.31	366.24	1.13	-69.18
C[N@@H+]1CCCCC1CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029290396	0	52	0.0	-71.92	388.23	2.65	-69.27
C[N@H+]1CCCCC1CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029290396	1	52	0.0	-71.92	388.23	2.65	-69.27
CC1=C2C=C(C(=O)NC3COCCN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=N1	REAL300029290418	0	47	0.0	-77.29	381.45	4.01	-73.28
CC1=C2C=C(C(=O)NC3COCCN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029290418	1	47	0.0	-77.29	381.45	4.01	-73.28
CC(C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)N1CC(C)C1	REAL300029290419	0	49	0.0	-67.54	377.01	1.67	-65.87
CC(C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300029290419	1	49	0.0	-67.54	377.01	1.67	-65.87
CC1CCN1CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029290423	0	46	0.0	-65.63	353.66	0.68	-64.95
CC1CC[N@@H+]1CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029290423	1	46	0.0	-65.31	359.23	0.95	-64.36
CC1CC[N@H+]1CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029290423	1	46	0.0	-65.31	359.23	0.95	-64.36
C[NH+](C)CC(O)CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029290428	0	49	0.0	-75.74	380.44	-1.15	-76.89
CC1CN(C)CC(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029290464	0	50	0.0	-87.31	379.71	1.03	-86.28
CC1C[N@H+](C)CC(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029290464	1	50	0.0	-87.30	387.62	1.09	-86.21
CC1C[N@@H+](C)CC(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029290464	1	50	0.0	-87.30	387.62	1.09	-86.21
O=C(CC[NH+]1CCC(O)CC1)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029290476	0	53	0.0	-72.57	402.47	-1.10	-73.67
CCC[N@@H+]1CCCCC1C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029290479	0	55	0.0	-66.86	400.51	3.30	-63.56
CCC[N@H+]1CCCCC1C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029290479	1	55	0.0	-66.86	400.51	3.30	-63.56
CC[NH+]1CCN(CCC(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029290484	0	57	0.0	-70.40	426.44	0.50	-69.90
CCN1CC[NH+](CCC(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029290484	1	57	0.0	-70.40	426.44	0.50	-69.90
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300029290487	0	56	0.0	-62.92	402.55	3.88	-59.04
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300029290487	1	56	0.0	-62.92	402.55	3.88	-59.04
CC(C)C[NH+]1CCC(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029290532	0	58	0.0	-76.98	429.01	3.58	-73.40
C[NH+](C)C1CCN(CC(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029290557	0	57	0.0	-74.34	422.39	0.63	-73.71
C[NH+](C)[C@H]1C[C@H](C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029290578	0	49	0.0	-71.11	377.57	2.16	-68.95
CC(CC[NH+](C)C)C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029290586	0	51	0.0	-73.86	389.09	1.82	-72.04
C[N@H+](CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029290619	0	53	0.0	-68.82	398.78	-0.36	-69.18
CN1CCN(CC(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029290634	0	51	0.0	-70.32	387.99	-0.03	-70.35
C[NH+]1CCN(CC(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029290634	1	51	0.0	-70.32	387.99	-0.03	-70.35
NC(=[NH2+])SCC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029290674	0	40	0.0	-72.54	336.36	-3.28	-75.82
CC[N@H+]1CCOCC1CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029290720	1	53	0.0	-73.29	396.12	0.90	-72.39
C[NH+](C)CCC1(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029290739	0	58	0.0	-53.31	428.17	3.54	-49.77
CC1CCCC(C)[NH+]1CCC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029290741	0	58	0.0	-66.37	421.66	2.97	-63.40
C[NH+](C)C1CCC(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029290744	0	55	0.0	-80.54	406.67	2.70	-77.84
C[NH+](C)CCC1(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029290745	0	52	0.0	-72.85	404.60	3.01	-69.84
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029290749	0	55	0.0	-65.04	400.09	3.10	-61.94
C[N@@H+]1CC=CCC1CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029290750	0	50	0.0	-64.79	373.93	2.41	-62.38
C[N@H+]1CC=CCC1CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029290750	1	50	0.0	-55.66	375.29	1.91	-53.75
C[C@@H](OCC[NH+](C)C)C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029290779	0	52	0.0	-64.41	404.54	1.66	-62.75
C[NH+]1C2CCC1CC(C(=O)NC1COCCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029290813	0	53	0.0	-74.20	365.53	2.14	-72.06
CC(C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300029290954	1	50	0.0	-69.33	384.03	1.81	-67.52
CCC1C[NH+](CC(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029290956	1	49	0.0	-67.90	380.52	1.70	-66.20
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+](C2CCOCC2)C1	REAL300029290958	0	54	0.0	-71.27	412.25	0.87	-70.40
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1([NH+]2CCCC2)CCC1	REAL300029290960	0	53	0.0	-66.14	391.45	2.62	-63.52
C[N@@H+]1CCC[C@H]1C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029290971	0	46	0.0	-66.87	353.76	1.42	-65.45
C[N@H+]1CCC[C@H]1C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029290971	1	46	0.0	-69.40	347.83	0.97	-68.43
O=C(CC[N@H+]1CCC(F)C1)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029290980	0	49	0.0	-76.32	383.22	1.73	-74.59
O=C(CC[N@@H+]1CCC(F)C1)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029290980	1	49	0.0	-72.31	383.31	1.74	-70.57
COC1C[N@H+](C)C(C)(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029290989	0	53	0.0	-77.00	398.05	0.29	-76.71
COC1C[N@@H+](C)C(C)(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029290989	1	53	0.0	-66.92	399.00	0.59	-66.33
O=C(CC[NH+]1CCCCCC1)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029291002	0	55	0.0	-73.11	403.07	2.55	-70.56
O=C(C[NH+]1CCCCC1)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029291004	0	49	0.0	-69.53	369.42	2.30	-67.23
CC1C(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029291014	0	49	0.0	-65.13	369.14	1.06	-64.07
CC1C(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029291014	1	49	0.0	-68.09	373.68	2.02	-66.07
C[N@@H+]1CCCCC1CCC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029291016	0	55	0.0	-69.07	409.22	3.35	-65.72
C[N@H+]1CCCCC1CCC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029291016	1	55	0.0	-76.87	403.02	2.66	-74.21
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+]2CCOCC12	REAL300029291050	0	51	0.0	-67.48	381.95	0.73	-66.75
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+]2CCOCC12	REAL300029291050	1	51	0.0	-76.86	388.02	0.19	-76.67
CC1=[NH+]C=C2C=CC(C(=O)NC3COCCN(C(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300029291058	0	47	0.0	-69.62	380.66	3.21	-66.41
C[N@@H+]1CCOCC1CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029291077	1	50	0.0	-56.56	370.95	-0.48	-57.04
C[N@H+]1CCOCC1CC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029291077	1	50	0.0	-68.51	370.97	-0.47	-68.98
CC1=C(C)[NH+]=C(CCC(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029291087	1	50	0.0	-65.46	398.09	1.13	-64.33
CC(C)C[N@@H+]1CCCC(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029291102	0	58	0.0	-69.97	429.03	3.55	-66.42
CC(C)C[N@H+]1CCCC(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029291102	1	58	0.0	-64.60	424.01	3.85	-60.75
C[N@@H+]1CCCC1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029291269	0	46	0.0	-72.67	350.89	0.60	-72.07
C[N@H+]1CCCC1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029291269	1	46	0.0	-73.03	351.59	1.08	-71.95
C[N@@H+]1CCOC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029291295	1	47	0.0	-78.97	365.91	0.80	-78.17
C[N@H+]1CCOC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029291295	1	47	0.0	-82.02	366.39	0.36	-81.66
CC1=[NH+]C=CN1CCCC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029291464	1	50	0.0	-70.92	401.78	3.45	-67.47
O=C(CCCC[NH+]1CCOCC1)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029291468	1	56	0.0	-77.85	429.07	2.14	-75.71
C[NH+](C)CC1=CC=C(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300029291474	0	52	0.0	-86.04	409.79	3.24	-82.80
O=C(CC[NH+]1CCOCC1)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029291475	1	50	0.0	-78.74	386.08	0.57	-78.17
CCC[NH+](CCC)CCCC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029291498	0	60	0.0	-75.03	450.57	4.06	-70.97
O=C(NC1COCCN(C(=O)C23CCC[NH+]2CCC3)C1)C1=CC(=O)[N-]O1	REAL300029291514	0	50	0.0	-68.76	370.32	1.40	-67.36
O=C(NC1COCCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1)C1=CC(=O)[N-]O1	REAL300029291532	1	44	0.0	-78.31	355.69	3.61	-74.70
C[NH+](C)C1CCCC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029291604	0	55	0.0	-67.16	400.01	2.42	-64.74
C[N@@H+]1CCC(CC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029291608	0	49	0.0	-75.79	378.75	1.72	-74.07
C[N@H+]1CCC(CC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029291608	1	49	0.0	-75.44	379.21	1.72	-73.72
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029291621	0	48	0.0	-79.20	384.92	0.15	-79.05
CCC(C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029291627	0	48	0.0	-72.95	362.67	1.15	-71.80
O=C(NC1COCCN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)C1)C1=CC(=O)[N-]O1	REAL300029291636	1	47	0.0	-82.63	387.31	2.43	-80.20
CC1CC2CCC(C(=O)N3CCOCC(NC(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300029291683	0	56	0.0	-68.02	418.69	3.75	-64.27
CC1CC2CCC(C(=O)N3CCOCC(NC(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300029291683	1	56	0.0	-63.89	411.20	3.93	-59.96
C[NH+](C)CCCCC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029291713	0	51	0.0	-75.74	396.18	2.68	-73.06
CC(C)C(C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029291736	0	51	0.0	-73.70	373.18	1.87	-71.83
CCC[N@H+](C)CCC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029291738	0	51	0.0	-75.67	394.08	2.10	-73.57
CCC[N@@H+](C)CCC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029291738	1	51	0.0	-76.58	392.41	2.51	-74.07
CCC[N@H+](C)CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029291744	0	48	0.0	-74.19	370.04	1.93	-72.26
CCC[N@@H+](C)CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029291744	1	48	0.0	-72.14	371.71	1.50	-70.64
O=C(NC1COCCN(C(=O)C23CC[N@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300029291773	0	50	0.0	-73.23	360.70	1.20	-72.03
O=C(NC1COCCN(C(=O)C23CC[N@@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300029291773	1	50	0.0	-77.51	366.85	0.96	-76.55
CCCCCC[N@H+](C)CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029291817	0	57	0.0	-73.30	436.20	3.81	-69.49
CCCCCC[N@@H+](C)CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029291817	1	57	0.0	-73.39	436.21	3.84	-69.55
CC[NH+](CC)C(C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300029291825	0	57	0.0	-70.45	406.02	2.83	-67.62
CC1CC[NH+](CC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029291864	0	52	0.0	-74.56	393.98	3.00	-71.56
O=C(NC1COCCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1)C1=CC(=O)[N-]O1	REAL300029291892	1	47	0.0	-78.48	382.58	1.46	-77.02
C[NH+]1CCC(OCC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029291901	0	53	0.0	-79.00	410.77	2.68	-76.32
O=C(NC1COCCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029291967	0	53	0.0	-78.95	396.53	2.57	-76.38
O=C(NC1COCCN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029291967	1	53	0.0	-70.83	399.04	3.25	-67.58
C[NH+](C)CC1(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029291980	0	49	0.0	-79.07	379.53	1.56	-77.51
CC1=[NH+]C=C2CCC(C(=O)N3CCOCC(NC(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300029291981	1	51	0.0	-68.97	395.54	2.48	-66.49
CC(C)[NH+]1CCC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029291993	0	55	0.0	-75.95	410.27	2.78	-73.17
CC[N@H+](C)CCC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029292026	0	48	0.0	-75.80	370.91	1.79	-74.01
CC[N@@H+](C)CCC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029292026	1	48	0.0	-75.78	370.91	1.76	-74.02
CC(C)(C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029292057	0	55	0.0	-69.25	394.79	2.36	-66.89
O=C(NC1COCCN(C(=O)C2C[NH+]3CCC2CC3)C1)C1=CC(=O)[N-]O1	REAL300029292075	0	50	0.0	-76.06	370.56	1.61	-74.45
C[NH+]1CCC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029292166	0	49	0.0	-72.70	374.03	2.03	-70.67
CC(C)[C@H](C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029292187	0	51	0.0	-71.49	375.15	2.01	-69.48
O=C(NC1COCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1)C1=CC(=O)[N-]O1	REAL300029292272	0	56	0.0	-78.40	426.92	3.82	-74.58
CC[NH+](CC)CC(F)C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029292317	0	51	0.0	-58.04	389.75	1.72	-56.32
C[NH+](C)CC1=C(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)SC=C1	REAL300029292318	0	49	0.0	-63.46	391.09	2.85	-60.61
CC(C)C[N@@H+]1CCC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029292360	0	55	0.0	-71.71	415.82	2.99	-68.72
CC(C)C[N@H+]1CCC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029292360	1	55	0.0	-74.83	414.77	2.87	-71.96
C[NH+](C)C1(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300029292364	0	49	0.0	-74.06	357.28	1.83	-72.23
CCC(C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029292399	0	54	0.0	-69.63	394.08	2.17	-67.46
CC1CCC[N@@H+]1CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029292427	0	49	0.0	-69.27	377.43	1.76	-67.51
CC1CCC[N@H+]1CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029292427	1	49	0.0	-69.72	377.80	1.85	-67.87
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029292511	1	53	0.0	-68.24	417.94	3.29	-64.95
CC(C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300029292518	0	55	0.0	-67.56	399.07	2.40	-65.16
CC(C)[N@@H+]1CCCCC1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029292520	0	55	0.0	-66.28	395.53	2.27	-64.01
CC(C)[N@H+]1CCCCC1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029292520	1	55	0.0	-65.81	395.34	2.75	-63.06
CC(C)[N@@H+]1CCCC1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029292550	0	52	0.0	-69.18	372.11	1.91	-67.27
CC(C)[N@H+]1CCCC1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029292550	1	52	0.0	-69.25	374.34	2.09	-67.16
C[NH+](C)C(CN1C=CC=N1)C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029292556	1	52	0.0	-65.10	402.77	1.19	-63.91
CC(C)[N@@H+]1CCCC1CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029292561	0	55	0.0	-72.37	404.54	2.90	-69.47
CC(C)[N@H+]1CCCC1CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029292561	1	55	0.0	-72.15	399.84	2.74	-69.41
O=C(NC1COCCN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300029292562	0	56	0.0	-68.38	417.59	3.37	-65.01
O=C(NC1COCCN(C(=O)C2CCC[N@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300029292562	1	56	0.0	-73.75	406.95	3.47	-70.28
CC(C)[C@@H](C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029292583	0	51	0.0	-70.54	368.50	1.95	-68.59
CC1CC[N@H+](CC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029292612	0	49	0.0	-71.30	377.84	1.76	-69.54
CC1CC[N@@H+](CC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029292612	1	49	0.0	-71.51	378.58	1.80	-69.71
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029292613	0	55	0.0	-69.60	405.33	2.62	-66.98
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029292613	1	55	0.0	-66.86	409.42	2.20	-64.66
CC1=[NH+]C=C2CC(C(=O)N3CCOCC(NC(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300029292615	1	51	0.0	-74.27	396.75	2.54	-71.73
CC1(C)CC[N@H+](CC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029292618	0	52	0.0	-73.22	395.84	2.77	-70.45
CC1(C)CC[N@@H+](CC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029292618	1	52	0.0	-73.24	395.91	2.78	-70.46
C[N@H+](CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029292619	0	54	0.0	-74.10	398.64	2.91	-71.19
C[N@@H+](CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029292619	1	54	0.0	-73.89	400.60	3.06	-70.83
CC[C@@H](C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029292630	0	48	0.0	-69.00	363.73	1.58	-67.42
CC(COCC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300029292638	0	56	0.0	-71.35	429.45	3.33	-68.02
CN(CCC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300029292791	0	51	0.0	-73.37	406.96	1.78	-71.59
CC1=[NH+]C=CN1CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029292906	1	44	0.0	-67.72	360.87	1.63	-66.09
CC(C[NH+]1CCOCC1)C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029292908	0	53	0.0	-72.99	401.27	1.06	-71.93
O=C(CCC[NH+]1CCCCC1)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029292930	0	55	0.0	-74.76	416.31	3.78	-70.98
C[NH+](C)CC1=CC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300029292951	1	48	0.0	-78.94	385.83	1.95	-76.99
CC1=C(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300029292953	0	47	0.0	-75.00	379.14	4.12	-70.88
CC(C)C1=[NH+]C=CN1CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029292998	1	50	0.0	-68.19	396.46	3.24	-64.95
O=C(NC1COCCN(C(=O)C2CCCC3CCC[N@@H+]32)C1)C1=CC(=O)[N-]O1	REAL300029293048	0	53	0.0	-73.34	386.28	2.45	-70.89
O=C(NC1COCCN(C(=O)C2CCCC3CCC[N@H+]32)C1)C1=CC(=O)[N-]O1	REAL300029293048	1	53	0.0	-73.73	384.07	2.34	-71.39
CC[N@@H+]1CCOC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029293081	1	50	0.0	-73.91	374.03	1.23	-72.68
CC[N@H+]1CCOC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029293081	1	50	0.0	-80.18	375.70	0.76	-79.42
O=C(NC1COCCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300029293150	0	44	0.0	-74.11	355.47	3.60	-70.51
CC1=C[NH+]=CN1CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029293155	1	44	0.0	-72.63	361.20	2.38	-70.25
C[NH+](C)CCN1C=C(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300029293159	0	52	0.0	-85.34	407.78	1.54	-83.80
C[NH+](C)CCN1C=CC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029293173	0	52	0.0	-84.31	412.30	2.49	-81.82
C[C@@H]1[C@H](C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029293179	0	49	0.0	-79.80	367.62	1.18	-78.62
C[C@@H]1[C@H](C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029293179	1	49	0.0	-78.23	374.44	1.33	-76.90
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029293182	1	53	0.0	-68.66	418.44	3.34	-65.32
CC[C@@H]1[C@@H](C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029293185	0	52	0.0	-70.81	386.34	2.13	-68.68
CC[C@@H]1[C@@H](C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029293185	1	52	0.0	-74.61	389.22	2.03	-72.58
CC1CCC(C)[NH+]1CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029293205	0	52	0.0	-69.45	385.43	2.27	-67.18
O=C(CCC[NH+]1CCCC1)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029293212	0	52	0.0	-74.21	400.72	2.56	-71.65
C[NH+](C)CC1=CC=CC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029293213	0	52	0.0	-81.84	403.56	3.57	-78.27
C#CC[NH+]1CCC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029293221	0	51	0.0	-83.39	397.45	2.65	-80.74
O=C(CC[NH+]1CCCCC1)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029293222	0	52	0.0	-73.90	396.49	2.57	-71.33
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029293227	0	52	0.0	-64.97	399.87	3.82	-61.15
CC[N@@H+]1CCCCC1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029293236	0	52	0.0	-65.84	389.61	2.24	-63.60
CC[N@H+]1CCCCC1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029293236	1	52	0.0	-66.80	378.91	2.24	-64.56
CC(C)C(C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029293237	0	58	0.0	-68.79	416.62	3.67	-65.12
C[NH+](C)C(C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029293240	1	52	0.0	-69.48	401.74	3.68	-65.80
O=C(CN1C=[NH+]C2=C1CCCC2)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029293246	1	51	0.0	-72.34	404.09	4.14	-68.20
C[NH+](C)CC1(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)CCCCC1	REAL300029293289	0	58	0.0	-74.65	383.58	2.79	-71.86
C[N@H+](CCC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300029293295	0	58	0.0	-76.84	429.22	4.15	-72.69
C[N@@H+](CCC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300029293295	1	58	0.0	-75.63	430.90	3.72	-71.91
C[NH+](C)C1(CC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029293297	0	55	0.0	-77.16	394.68	3.00	-74.16
C[N@H+](CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029293520	0	49	0.0	-71.64	377.03	2.50	-69.14
C[N@@H+](CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029293520	1	49	0.0	-70.38	378.60	2.03	-68.35
CC(C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300029293551	0	55	0.0	-67.83	390.08	1.83	-66.00
O=C(CCCC[NH+]1CCCC1)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029293568	0	55	0.0	-74.37	422.14	3.87	-70.50
C[N@H+](CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029293570	1	52	0.0	-76.67	409.14	3.67	-73.00
C[N@@H+](CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029293570	1	52	0.0	-76.89	409.14	3.68	-73.21
C[NH+]1CCC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029293585	0	49	0.0	-72.70	374.03	2.03	-70.67
C[N@@H+]1CCC[C@@H]1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029293650	0	46	0.0	-71.44	350.57	1.04	-70.40
C[N@H+]1CCC[C@@H]1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029293650	1	46	0.0	-67.85	357.77	1.50	-66.35
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029293674	1	48	0.0	-71.47	378.13	1.83	-69.64
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029293674	1	48	0.0	-68.08	385.00	2.77	-65.31
C[N@@H+]1CCCC1CCC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029293683	0	52	0.0	-78.87	399.91	2.61	-76.26
C[N@H+]1CCCC1CCC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029293683	1	52	0.0	-72.88	392.74	2.59	-70.29
O=C(NC1COCCN(C(=O)C23CCC[NH+](CCC2)C3)C1)C1=CC(=O)[N-]O1	REAL300029293695	0	53	0.0	-70.44	380.71	2.23	-68.21
O=C(NC1COCCN(C(=O)C2CCC3CCCC[N@@H+]32)C1)C1=CC(=O)[N-]O1	REAL300029293703	0	53	0.0	-65.18	398.98	3.33	-61.85
O=C(NC1COCCN(C(=O)C2CCC3CCCC[N@H+]32)C1)C1=CC(=O)[N-]O1	REAL300029293703	1	53	0.0	-65.54	399.33	3.31	-62.23
CCC[N@@H+]1CCCC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029293795	0	55	0.0	-65.89	406.80	3.18	-62.71
CCC[N@H+]1CCCC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029293795	1	55	0.0	-72.61	411.38	2.80	-69.81
CC(C)[N@@H+]1CCOC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029293817	1	53	0.0	-74.84	400.49	1.95	-72.89
CC(C)[N@H+]1CCOC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029293817	1	53	0.0	-84.16	399.50	1.45	-82.71
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029293836	0	56	0.0	-70.98	402.36	1.07	-69.91
C[N@@H+]1CCCCC1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029293856	0	49	0.0	-68.73	361.18	1.14	-67.59
C[N@H+]1CCCCC1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029293856	1	49	0.0	-67.15	372.08	1.62	-65.53
CC(C)C[N@@H+]1CCCC1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029293887	0	55	0.0	-71.09	416.30	3.06	-68.03
CC(C)C[N@H+]1CCCC1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029293887	1	55	0.0	-71.05	410.13	3.20	-67.85
O=C(C[NH+]1CCC(CO)CC1)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029293908	0	53	0.0	-75.73	404.82	-0.31	-76.04
C[NH+]1C2CCC1CC(=CC(=O)N1CCOCC(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029293945	0	54	0.0	-72.24	404.71	3.52	-68.72
CC1C(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029293964	0	49	0.0	-69.26	378.00	2.01	-67.25
CC1C(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029293964	1	49	0.0	-76.38	370.64	1.51	-74.87
C[N@@H+]1CCCCC1CCC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029293967	0	55	0.0	-72.58	413.82	3.07	-69.51
C[N@H+]1CCCCC1CCC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029293967	1	55	0.0	-76.42	406.37	2.85	-73.57
NC1=[NH+]C2=C(C=C1C(=O)N1CCOCC(NC(=O)C3=CC(=O)[N-]O3)C1)CCC2	REAL300029294005	1	49	0.0	-65.11	389.78	1.28	-63.83
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029294087	0	52	0.0	-70.43	387.46	2.00	-68.43
CC(C)(C)[N@H+]1CCC1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029294087	1	52	0.0	-69.89	390.75	2.14	-67.75
C[C@@H](C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029294111	0	45	0.0	-69.02	348.40	0.93	-68.09
C[NH+](C)CC1=CC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)=CC=N1	REAL300029294131	1	51	0.0	-72.46	399.35	2.13	-70.33
C=CCC(C)(C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029294137	0	52	0.0	-66.57	377.17	1.54	-65.03
NC1=C(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]C2=CC=CC=C21	REAL300029294168	1	48	0.0	-67.84	387.51	0.64	-67.20
O=C(CC[NH+]1CCCC1)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029294172	0	49	0.0	-75.25	379.14	2.27	-72.98
C[N@H+](CCO)CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029294182	1	46	0.0	-73.65	360.56	-2.49	-76.14
C[N@@H+](CCO)CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029294182	1	46	0.0	-72.22	360.36	-2.50	-74.72
O=C(NC1COCCN(C(=O)C2C[N@@H+]3CCN2CCC3)C1)C1=CC(=O)[N-]O1	REAL300029294227	0	52	0.0	-76.44	377.83	-0.73	-77.17
O=C(NC1COCCN(C(=O)C2C[N@H+]3CCN2CCC3)C1)C1=CC(=O)[N-]O1	REAL300029294227	1	52	0.0	-75.77	378.29	0.05	-75.72
CC(C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300029294258	1	50	0.0	-73.45	386.74	2.38	-71.07
C[N@H+]1CC=C(CC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029294306	0	50	0.0	-71.54	391.58	2.44	-69.10
C[N@@H+]1CC=C(CC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029294306	1	50	0.0	-69.17	391.61	2.46	-66.71
C[S+](C)CCC(O)C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029294323	0	48	0.0	-83.80	392.63	-0.53	-84.33
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029294347	0	50	0.0	-69.66	363.24	-2.67	-72.33
C[N@H+]1CC(O)CC1(C)C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029294347	1	50	0.0	-70.05	371.71	-2.54	-72.59
CN1CC[N@H+](C)CC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029294363	0	54	0.0	-67.81	404.56	0.50	-67.31
CN1CC[N@@H+](C)CC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029294363	1	54	0.0	-71.30	402.56	-0.03	-71.33
CC(C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300029294364	0	53	0.0	-69.06	400.91	-1.09	-70.15
CC(C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300029294364	1	53	0.0	-72.03	400.01	-1.13	-73.16
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029294398	0	49	0.0	-68.88	393.35	0.79	-68.09
C[N@@H+]1CCCC(O)(CC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029294405	0	53	0.0	-73.15	399.87	0.53	-72.62
C[N@H+]1CCCC(O)(CC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029294405	1	53	0.0	-73.59	388.53	0.79	-72.80
CC1C[NH+](CC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029294412	1	46	0.0	-74.08	362.08	1.61	-72.47
CC[N@@H+]1CCCC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029294420	0	52	0.0	-65.36	384.79	2.79	-62.57
CC[N@H+]1CCCC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029294420	1	52	0.0	-73.94	393.46	2.23	-71.71
NC1=[NH+]C=CC=C1CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029294430	0	45	0.0	-66.40	366.72	-0.08	-66.48
O=C(NC1COCCN(C(=O)C2CCC[N@@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300029294445	0	50	0.0	-69.74	371.49	2.06	-67.68
O=C(NC1COCCN(C(=O)C2CCC[N@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300029294445	1	50	0.0	-69.94	369.62	1.97	-67.97
O=C(C=CC[NH+]1CCCC1)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029294498	0	50	0.0	-62.86	392.34	2.36	-60.50
O=C(NC1COCCN(C(=O)C2CC[NH+](C3CC3)CC2)C1)C1=CC(=O)[N-]O1	REAL300029294527	0	53	0.0	-71.01	400.55	3.29	-67.72
CC[N@H+](C)CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029294580	0	45	0.0	-71.90	350.21	0.75	-71.15
O=C(CN1CC2C=CC1C2)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029294647	0	48	0.0	-67.35	372.07	1.98	-65.37
O=C(C[N@@H+]1CC2C=CC1C2)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029294647	1	48	0.0	-70.07	370.16	2.40	-67.67
O=C(C[N@H+]1CC2C=CC1C2)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029294647	1	48	0.0	-70.07	370.16	2.40	-67.67
CC1=CC=C(NCCC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)N=C1	REAL300029294672	0	51	0.0	-70.10	411.35	1.52	-68.58
CC1=CC=C(NCCC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)[NH+]=C1	REAL300029294672	1	51	0.0	-70.10	411.35	1.52	-68.58
O=C(NC1COCCN(C(=O)C23CCC[N@@H+]2CCCC3)C1)C1=CC(=O)[N-]O1	REAL300029294805	0	53	0.0	-67.31	381.10	1.83	-65.48
O=C(NC1COCCN(C(=O)C23CCC[N@H+]2CCCC3)C1)C1=CC(=O)[N-]O1	REAL300029294805	1	53	0.0	-67.31	381.10	1.83	-65.48
O=C(NC1COCCN(C(=O)C23CCC[N@@H+]2CC=CC3)C1)C1=CC(=O)[N-]O1	REAL300029294816	0	51	0.0	-67.36	366.78	2.00	-65.36
O=C(NC1COCCN(C(=O)C23CCC[N@H+]2CC=CC3)C1)C1=CC(=O)[N-]O1	REAL300029294816	1	51	0.0	-67.36	366.78	2.00	-65.36
CC(OCC[NH+](C)C)C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029294828	0	52	0.0	-70.47	402.76	2.04	-68.43
C[NH+](C)CCOCCC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029294840	0	52	0.0	-73.36	407.63	1.36	-72.00
COCCN(C)CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029294842	0	49	0.0	-71.77	382.58	-0.07	-71.84
COCC[N@H+](C)CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029294842	1	49	0.0	-73.93	382.82	-0.09	-74.02
COCC[N@@H+](C)CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029294842	1	49	0.0	-73.93	382.82	-0.09	-74.02
CC(CCC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029294849	0	51	0.0	-78.45	384.45	2.28	-76.17
C[NH+]1CCC(=CC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029294874	0	50	0.0	-73.88	385.19	2.85	-71.03
CC[N@H+](CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029294885	0	49	0.0	-68.23	381.08	2.11	-66.12
CC[N@@H+](CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029294885	1	49	0.0	-69.55	378.52	2.08	-67.47
C[NH+](C)C1(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)CCCSC1	REAL300029294890	0	53	0.0	-77.55	379.60	2.36	-75.19
CC1C[N@@H+]2CCN1C(C(=O)N1CCOCC(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029294905	0	52	0.0	-73.96	373.08	1.70	-72.26
CC1C[N@H+]2CCN1C(C(=O)N1CCOCC(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029294905	1	52	0.0	-77.45	382.09	-1.25	-78.70
C[N@@H+]1CC2CC1(C(=O)N1CCOCC(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029294940	0	47	0.0	-73.43	352.62	1.32	-72.11
C[N@H+]1CC2CC1(C(=O)N1CCOCC(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029294940	1	47	0.0	-73.59	351.43	1.19	-72.40
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029294950	1	49	0.0	-72.72	396.68	1.25	-71.47
O=C(C[N@@H+]1CC2CCC1C2)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029294959	0	50	0.0	-69.90	379.07	2.15	-67.75
O=C(C[N@H+]1CC2CCC1C2)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029294959	1	50	0.0	-68.53	376.85	1.99	-66.54
CC(C)[NH+]1CCC(CC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029294975	0	58	0.0	-69.85	426.33	3.44	-66.41
CC(C[NH+](C)C)C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029294989	0	48	0.0	-68.09	367.68	1.66	-66.43
C[NH+](C)C1(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029295009	0	46	0.0	-72.90	352.65	0.64	-72.26
C[C@H](C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029295039	0	45	0.0	-69.53	348.32	0.84	-68.69
CC[N@@H+]1CCC1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029295050	1	46	0.0	-71.09	355.50	1.20	-69.89
CC[N@H+]1CCC1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029295050	1	46	0.0	-69.73	355.84	0.72	-69.01
CC(C)[N@@H+]1CCCC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029295064	0	55	0.0	-64.59	401.44	3.32	-61.27
CC(C)[N@H+]1CCCC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029295064	1	55	0.0	-66.22	400.45	2.73	-63.49
CCC(C)(C)[NH2+]C(C)C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029295086	0	54	0.0	-68.86	395.72	1.12	-67.74
C#CC[N@H+]1CCCCC1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029295140	1	51	0.0	-66.93	397.29	3.25	-63.68
C#CC[N@@H+]1CCCCC1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029295140	1	51	0.0	-68.26	386.48	2.35	-65.91
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029295144	1	48	0.0	-66.64	385.66	1.13	-65.51
NC1=CC=[NH+]C=C1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029295145	0	42	0.0	-73.95	344.58	-1.54	-75.49
CCCC(C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029295157	0	51	0.0	-73.40	380.28	2.20	-71.20
C[NH+](C)C(C)(C)C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029295165	0	48	0.0	-72.08	342.31	1.02	-71.06
CC(CC[NH+](C)C)C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029295191	0	51	0.0	-72.02	391.26	2.26	-69.76
O=C(NC1COCCN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1)C1=CC(=O)[N-]O1	REAL300029295251	0	56	0.0	-70.16	400.01	3.17	-66.99
O=C(NC1COCCN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1)C1=CC(=O)[N-]O1	REAL300029295251	1	56	0.0	-64.69	405.12	3.83	-60.86
O=C(NC1COCCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1)C1=CC(=O)[N-]O1	REAL300029295288	0	51	0.0	-71.31	391.96	2.46	-68.85
O=C(NC1COCCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1)C1=CC(=O)[N-]O1	REAL300029295288	1	51	0.0	-71.59	391.96	2.58	-69.01
COCCCC[N@H+](C)CCC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029295333	0	58	0.0	-79.56	449.25	1.95	-77.61
COCCCC[N@@H+](C)CCC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029295333	1	58	0.0	-79.50	449.25	1.94	-77.56
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029295345	0	52	0.0	-70.83	390.85	2.20	-68.63
C[N@H+]1CC(C)(C)CC1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029295345	1	52	0.0	-67.01	398.68	2.65	-64.36
C[NH+](C)CCCCCC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029295351	0	54	0.0	-74.42	417.67	3.48	-70.94
O=C(CC[NH+]1CCC(O)CC1)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029295356	0	53	0.0	-76.96	407.58	-0.80	-77.76
CCC[N@@H+]1CCCCC1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029295362	0	55	0.0	-67.24	400.46	2.99	-64.25
CCC[N@H+]1CCCCC1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029295362	1	55	0.0	-72.64	404.46	2.63	-70.01
CC[NH+]1CCN(CCC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029295372	0	57	0.0	-74.43	429.44	1.23	-73.20
CCN1CC[NH+](CCC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029295372	1	57	0.0	-76.72	429.42	1.23	-75.49
C[NH+]1CCN(CC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029295376	1	51	0.0	-73.34	389.83	-0.01	-73.35
CC(C)C[NH+]1CCC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029295510	0	58	0.0	-72.34	427.92	4.02	-68.32
CC1C[N@H+](C)CC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029295513	1	50	0.0	-79.64	379.87	1.12	-78.52
CC1C[N@@H+](C)CC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029295513	1	50	0.0	-70.16	379.45	1.38	-68.78
CCC1CCC[N@H+](CC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029295549	0	55	0.0	-74.43	404.83	3.60	-70.83
CCC1CCC[N@@H+](CC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029295549	1	55	0.0	-72.36	413.48	3.18	-69.18
C[NH+](C)CC1=CC=C(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029295560	0	50	0.0	-83.11	390.36	2.48	-80.63
O=C(C[NH+]1CC2CC2C1)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029295583	0	47	0.0	-72.26	367.91	1.95	-70.31
O=C(CC1([NH+]2CCCC2)CC1)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029295602	0	53	0.0	-70.81	395.94	3.31	-67.50
CC([NH2+]C1(CO)CCCC1)C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029295620	0	56	0.0	-70.28	412.40	-1.57	-71.85
C[N@@H+]1CCCCC1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029295653	0	49	0.0	-68.73	361.18	1.14	-67.59
C[N@H+]1CCCCC1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029295653	1	49	0.0	-67.15	372.08	1.62	-65.53
CC(C)C[N@@H+]1CCCC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029295666	0	58	0.0	-67.89	419.98	3.63	-64.26
CC(C)C[N@H+]1CCCC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029295666	1	58	0.0	-73.59	432.40	3.65	-69.94
C[NH+](C)C1CCN(CC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029295732	0	57	0.0	-73.82	425.78	0.76	-73.06
C[N@@H+]1CCC(=CC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029295806	0	47	0.0	-68.00	370.46	1.60	-66.40
C[N@H+]1CCC(=CC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029295806	1	47	0.0	-76.94	370.53	2.13	-74.81
O=C(CNC1=CC=[NH+]C=C1)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029295812	0	45	0.0	-73.30	366.53	-0.22	-73.52
CC[NH+]1CCN(CC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029295882	0	54	0.0	-72.27	407.07	0.63	-71.64
O=C(C=C1C[NH+]2CCC1CC2)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029295885	0	51	0.0	-69.13	388.10	3.00	-66.13
C[NH+](C)C1(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029295937	0	52	0.0	-75.84	365.93	2.23	-73.61
C[N@H+](CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029295954	0	53	0.0	-69.43	400.87	-0.20	-69.63
C[N@@H+](CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029295954	1	53	0.0	-71.50	401.45	-0.09	-71.59
CCC1C[NH+](CC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029295962	1	49	0.0	-75.26	383.27	2.31	-72.95
O=C(NC1COCCN(C(=O)C2C[NH+](C3CCOCC3)C2)C1)C1=CC(=O)[N-]O1	REAL300029295966	0	54	0.0	-79.84	409.95	1.30	-78.54
O=C(NC1COCCN(C(=O)C2([NH+]3CCCC3)CCC2)C1)C1=CC(=O)[N-]O1	REAL300029295968	0	53	0.0	-70.53	382.18	2.58	-67.95
C[N@@H+]1CCC[C@H]1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029295984	0	46	0.0	-67.39	357.41	1.43	-65.96
C[N@H+]1CCC[C@H]1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029295984	1	46	0.0	-73.55	351.48	0.58	-72.97
CC[N@@H+]1CCOCC1CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029296024	0	53	0.0	-73.78	395.80	0.46	-73.32
O=C(NC1COCCN(C(=O)C2C[NH+](C3CCCCC3)C2)C1)C1=CC(=O)[N-]O1	REAL300029296052	0	56	0.0	-71.95	423.35	3.39	-68.56
COC1C[N@@H+]2CCCC2(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029296069	0	54	0.0	-67.65	403.59	0.38	-67.27
COC1C[N@H+]2CCCC2(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029296069	1	54	0.0	-67.65	403.59	0.38	-67.27
NC1=NC2=CC(C(=O)N3CCOCC(NC(=O)C4=CC(=O)[N-]O4)C3)=CC=C2N1	REAL300029296141	0	46	0.0	-72.83	369.90	1.35	-71.48
NC1=[NH+]C2=CC(C(=O)N3CCOCC(NC(=O)C4=CC(=O)[N-]O4)C3)=CC=C2N1	REAL300029296141	1	46	0.0	-72.83	369.90	1.35	-71.48
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029296190	0	49	0.0	-74.77	379.24	2.19	-72.58
C[NH+](C)CCC1(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029296203	0	58	0.0	-77.86	420.70	3.53	-74.33
CC1CCCC(C)[NH+]1CCC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029296205	0	58	0.0	-71.35	423.06	3.22	-68.13
C[NH+](C)C1CCC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029296208	0	55	0.0	-62.96	401.34	2.61	-60.35
C[NH+](C)CCC1(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029296209	0	52	0.0	-76.06	397.40	2.68	-73.38
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029296214	0	55	0.0	-65.93	399.01	2.99	-62.94
C[N@@H+]1CC=CCC1CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029296215	0	50	0.0	-68.15	377.06	2.55	-65.60
C[N@H+]1CC=CCC1CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029296215	1	50	0.0	-77.78	381.86	2.58	-75.20
CC1=CC(C=CC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)=C[NH+]=C1N	REAL300029296278	1	49	0.0	-76.11	396.88	1.56	-74.55
C[NH+](C)CCOCC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029296293	0	49	0.0	-72.63	386.69	1.63	-71.00
CCCCC[N@H+](C)CCC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029296300	0	57	0.0	-76.52	437.07	3.66	-72.86
CCCCC[N@@H+](C)CCC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029296300	1	57	0.0	-76.35	437.07	3.65	-72.70
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029296314	0	53	0.0	-74.16	400.47	2.16	-72.00
[NH2+]=C1SC=CN1CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029296345	0	42	0.0	-68.67	359.55	0.24	-68.43
C[C@@H](OCC[NH+](C)C)C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029296439	0	52	0.0	-69.22	404.39	2.14	-67.08
O=C(CC[NH+]1CCCCCC1)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029296508	0	55	0.0	-77.43	404.83	3.20	-74.23
O=C(C[NH+]1CCCCC1)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029296512	0	49	0.0	-71.86	374.22	1.95	-69.91
C[N@@H+]1CCCC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029296514	0	49	0.0	-71.05	375.88	2.05	-69.00
C[N@H+]1CCCC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029296514	1	49	0.0	-65.41	365.00	2.16	-63.25
O=C(C[NH+]1CCC(CO)CC1)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029296516	0	53	0.0	-75.73	404.82	-0.31	-76.04
O=C(C[NH+]1CCCCCC1)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029296522	0	52	0.0	-72.24	385.67	2.48	-69.76
CN1C=C[N+](CC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029296529	0	44	0.0	-71.05	362.04	4.02	-67.03
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029296548	0	58	0.0	-71.04	410.67	3.07	-67.97
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029296548	1	58	0.0	-71.86	403.34	2.65	-69.21
C[NH+](C)CC1=CC=C(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029296554	1	49	0.0	-79.99	391.08	2.46	-77.53
C[NH+](C)CC1=CC=C(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300029296562	0	51	0.0	-79.97	399.17	2.12	-77.85
O=C(C[NH+]1CCC(O)CC1)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029296581	1	50	0.0	-78.98	384.22	-0.96	-79.94
C[N@H+](CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029296587	0	46	0.0	-70.76	360.07	1.92	-68.84
C[N@@H+](CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029296587	1	46	0.0	-69.89	361.89	1.49	-68.40
CC(C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300029296589	1	54	0.0	-68.87	399.93	0.09	-68.78
O=C(CC[N@H+]1CCC(F)C1)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029296593	0	49	0.0	-78.03	386.64	1.93	-76.10
O=C(CC[N@@H+]1CCC(F)C1)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029296593	1	49	0.0	-78.72	386.54	1.87	-76.85
COC1C[N@H+](C)C(C)(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029296609	0	53	0.0	-75.22	386.12	0.31	-74.91
COC1C[N@@H+](C)C(C)(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029296609	1	53	0.0	-68.15	385.50	-0.27	-68.42
CC(CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029296632	0	51	0.0	-75.47	387.83	2.57	-72.90
O=C(NC1COCCN(C(=O)C2CC[N@@H+]3CCOCC23)C1)C1=CC(=O)[N-]O1	REAL300029296654	0	51	0.0	-73.65	390.63	0.84	-72.81
O=C(NC1COCCN(C(=O)C2CC[N@H+]3CCOCC23)C1)C1=CC(=O)[N-]O1	REAL300029296654	1	51	0.0	-71.07	381.90	0.18	-70.89
CC1=[NH+]C=C2C=CC(C(=O)N3CCOCC(NC(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300029296663	0	47	0.0	-65.47	388.56	3.69	-61.78
C[N@@H+]1CCOCC1CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029296683	1	50	0.0	-70.72	373.94	0.22	-70.50
C[N@H+]1CCOCC1CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029296683	1	50	0.0	-81.19	382.88	-0.07	-81.26
CC[NH+]1CCN(CC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029296696	0	54	0.0	-72.27	407.07	0.63	-71.64
CC1=CC(N)=[NH+]C=C1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029296765	1	45	0.0	-73.67	364.52	-0.17	-73.84
NC1=CC=C(CCC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300029296768	0	48	0.0	-72.66	391.49	0.61	-72.05
CC1(O)CC[N@H+](CC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029296826	0	50	0.0	-72.80	386.68	-1.10	-73.90
CC1(O)CC[N@@H+](CC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029296826	1	50	0.0	-73.32	389.05	-1.50	-74.82
C[NH+](C)CCN1N=CC=C1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029296834	0	52	0.0	-67.75	403.31	1.66	-66.09
C[NH+]1CC(CC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029296870	0	46	0.0	-75.31	363.78	0.95	-74.36
O=C(NC1COCCN(C(=O)C2CC[N@@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300029296876	0	53	0.0	-74.06	404.22	3.00	-71.06
O=C(NC1COCCN(C(=O)C2CC[N@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300029296876	1	53	0.0	-73.58	400.12	3.25	-70.33
C[NH+](C)CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029296886	0	42	0.0	-74.59	330.81	0.51	-74.08
C[N@H+](CCO)CCC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029296931	0	49	0.0	-75.29	381.26	-1.45	-76.74
C[N@@H+](CCO)CCC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029296931	1	49	0.0	-74.44	382.88	-1.90	-76.34
C[C@@H](C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029296932	0	45	0.0	-69.02	348.40	0.93	-68.09
C[N@@H+]1CCCCC1CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029296957	0	52	0.0	-76.11	391.70	2.29	-73.82
C[N@H+]1CCCCC1CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029296957	1	52	0.0	-66.74	382.58	2.61	-64.13
CC1=C2C=C(C(=O)N3CCOCC(NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029296989	1	47	0.0	-74.96	388.29	4.50	-70.46
CC(C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300029296990	1	49	0.0	-69.04	375.20	1.46	-67.58
CC1CC[N@@H+]1CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029296996	1	46	0.0	-72.85	362.16	1.60	-71.25
CC1CC[N@H+]1CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029296996	1	46	0.0	-69.93	358.89	0.96	-68.97
C[NH+](C)CC=CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029297016	0	46	0.0	-78.35	368.93	1.84	-76.51
CC1(C)C[NH+](CC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029297031	1	49	0.0	-74.15	381.19	2.08	-72.07
O=C(CCCC[NH+]1CCCCC1)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029297045	0	58	0.0	-75.29	439.03	4.12	-71.17
CC1=C(C)[NH+]=C(CCC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029297059	1	50	0.0	-68.61	403.66	1.45	-67.16
C[NH+]1CCC(C2(C(=O)N3CCOCC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029297072	0	56	0.0	-72.79	419.84	4.02	-68.77
CC1=C2C=C(C(=O)N3CCOCC(NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029297082	1	47	0.0	-74.96	388.29	4.50	-70.46
C[NH+](C)CCSCC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029297094	0	49	0.0	-78.56	397.71	2.53	-76.03
O=C(C[N@H+]1CCCC1CO)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029297123	0	50	0.0	-70.90	382.14	-1.87	-72.77
O=C(C[N@@H+]1CCCC1CO)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029297123	1	50	0.0	-70.94	381.99	-1.89	-72.83
CC[NH+](CC)CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029297126	0	48	0.0	-71.96	366.75	1.83	-70.13
C[N@H+](CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029297137	0	50	0.0	-79.02	390.30	2.75	-76.27
C[N@@H+](CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029297137	1	50	0.0	-76.87	391.74	2.32	-74.55
O=C(C[NH+]1CCC1)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029297139	1	43	0.0	-74.27	341.11	0.98	-73.29
CC[NH+](CC)CCC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029297199	0	51	0.0	-75.12	384.42	2.21	-72.91
NC(=O)C1CC[NH+](CC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029297224	0	53	0.0	-88.34	409.05	-0.94	-89.28
C[NH+](C)CC1=CNC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029297278	0	50	0.0	-66.50	391.22	2.01	-64.49
CC(C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300029297300	1	53	0.0	-73.39	398.89	-0.69	-74.08
O=C(NC1COCCN(C(=O)C2CC3COCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029297308	0	51	0.0	-70.49	390.10	0.89	-69.60
O=C(NC1COCCN(C(=O)C2CC3COCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029297308	1	51	0.0	-75.79	387.47	0.21	-75.58
CC(C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029297327	1	46	0.0	-68.42	351.17	1.06	-67.36
CCC(CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029297338	0	54	0.0	-76.12	401.85	3.03	-73.09
NC1=CC=C(C=CC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300029297346	0	46	0.0	-77.17	379.07	0.79	-76.38
C[NH+](C)CC(C)(C)C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029297347	0	51	0.0	-66.73	367.86	1.54	-65.19
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029297421	0	49	0.0	-74.27	365.10	1.22	-73.05
C[N@H+]1CCCC[C@@H]1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029297421	1	49	0.0	-69.61	371.98	1.61	-68.00
CC1CN2CC[N@@H+]1CC2C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029297438	0	52	0.0	-74.00	376.70	-1.11	-75.11
CC1CN2CC[N@H+]1CC2C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029297438	1	52	0.0	-77.81	379.41	-0.96	-78.77
C[NH+](C)CC(O)CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029297468	0	49	0.0	-78.89	383.52	-0.46	-79.35
C[NH+]1C2CCC1CC(C(=O)N1CCOCC(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029297471	0	53	0.0	-69.12	377.28	2.25	-66.87
C=CCC(C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029297520	0	49	0.0	-74.49	373.55	1.99	-72.50
O=C(NC1COCCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029297532	0	53	0.0	-78.95	396.53	2.57	-76.38
O=C(NC1COCCN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029297532	1	53	0.0	-70.83	399.04	3.25	-67.58
C[NH+]1CCC(C)(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029297546	0	52	0.0	-76.95	380.96	1.56	-75.39
C[NH+]1CCC(O)(CC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029297551	0	53	0.0	-74.94	401.22	0.83	-74.11
COCC[N@@H+]1CCCC1CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029297567	0	56	0.0	-64.78	421.32	2.45	-62.33
COCC[N@H+]1CCCC1CC(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029297567	1	56	0.0	-72.35	429.36	2.01	-70.34
C[NH+]1C2CCC1CC(CC(=O)N1CCOCC(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029297581	0	56	0.0	-75.09	396.38	3.01	-72.08
C[NH+](C)CCN1N=CC=C1C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029297621	0	52	0.0	-60.13	409.18	1.38	-58.75
C[NH+]1CCC(C2(C(=O)NC3COCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029297668	0	56	0.0	-65.07	418.09	4.14	-60.93
CC1=C2C=C(C(=O)NC3COCCN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029297680	1	47	0.0	-77.29	381.45	4.01	-73.28
C[NH+](C)CCSCC(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029297691	0	49	0.0	-79.33	394.73	1.77	-77.56
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2COCC[N@@H+]2C1	REAL300029297703	0	51	0.0	-71.52	386.63	0.74	-70.78
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2COCC[N@H+]2C1	REAL300029297703	1	51	0.0	-71.57	386.45	0.78	-70.79
C[N@@H+]1CCCC1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029297863	0	46	0.0	-74.01	360.95	3.41	-70.60
C[N@H+]1CCCC1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029297863	1	46	0.0	-69.73	356.35	3.03	-66.70
C[N@@H+]1CCOC(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029297887	1	47	0.0	-72.30	363.51	2.61	-69.69
C[N@H+]1CCOC(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029297887	1	47	0.0	-75.23	363.45	2.63	-72.60
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029298077	1	53	0.0	-67.66	424.13	5.74	-61.92
CC(C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCCCCC1	REAL300029298084	0	55	0.0	-72.67	405.17	4.91	-67.76
CC(C)[N@@H+]1CCCCC1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029298087	0	55	0.0	-73.11	401.64	4.75	-68.36
CC(C)[N@H+]1CCCCC1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029298087	1	55	0.0	-67.21	408.67	4.92	-62.29
CC(C)[N@@H+]1CCCC1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029298122	0	52	0.0	-72.35	395.79	4.47	-67.88
CC(C)[N@H+]1CCCC1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029298122	1	52	0.0	-70.11	389.22	4.96	-65.15
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1CC3CCCC[N@@H+]3C1)C2	REAL300029298149	0	53	0.0	-74.60	402.61	5.10	-69.50
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1CC3CCCC[N@H+]3C1)C2	REAL300029298149	1	53	0.0	-79.47	402.76	5.05	-74.42
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029298185	1	50	0.0	-71.18	403.07	5.22	-65.96
CC1=[NH+]C=CN1CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029298241	1	44	0.0	-73.80	367.13	4.14	-69.66
CC(C[NH+]1CCOCC1)C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029298243	0	53	0.0	-72.30	410.73	3.10	-69.20
O=C(CCC[NH+]1CCCCC1)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029298265	0	55	0.0	-71.69	424.47	5.79	-65.90
CC(C)(C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCCCC1	REAL300029298294	0	55	0.0	-77.06	398.37	5.34	-71.72
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1C[NH+]3CCC1CC3)C2	REAL300029298313	0	50	0.0	-86.51	375.66	4.09	-82.42
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1CCCC3CCC[N@@H+]31)C2	REAL300029298376	0	53	0.0	-65.32	397.89	5.06	-60.26
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1CCCC3CCC[N@H+]31)C2	REAL300029298376	1	53	0.0	-71.07	394.11	4.89	-66.18
C[NH+](C)CCN1C=C(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=N1	REAL300029298378	0	52	0.0	-82.28	416.60	3.63	-78.65
C[NH+](C)CCN1C=CC(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=N1	REAL300029298394	0	52	0.0	-82.00	419.36	4.26	-77.74
C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029298401	0	49	0.0	-72.55	373.84	3.84	-68.71
C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029298401	1	49	0.0	-73.33	379.63	3.77	-69.56
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029298404	1	53	0.0	-68.07	423.63	5.76	-62.31
CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029298407	0	52	0.0	-72.73	391.06	4.02	-68.71
CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029298407	1	52	0.0	-71.50	394.99	4.51	-66.99
CC[N@@H+]1CCOC(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029298433	1	50	0.0	-82.28	388.26	3.43	-78.85
CC[N@H+]1CCOC(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029298433	1	50	0.0	-76.63	381.23	3.27	-73.36
CC[NH+](CC)CC(F)C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029298502	0	51	0.0	-75.60	393.69	4.09	-71.51
C[NH+](C)CC1=C(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)SC=C1	REAL300029298503	0	49	0.0	-65.10	398.11	4.84	-60.26
CC1CCC(C)[NH+]1CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029298619	0	52	0.0	-66.97	396.12	4.53	-62.44
O=C(CCC[NH+]1CCCC1)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029298626	0	52	0.0	-78.79	406.98	5.00	-73.79
C[NH+](C)CC1=CC=CC(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300029298627	0	52	0.0	-75.80	412.23	5.58	-70.22
C#CC[NH+]1CCC(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029298634	0	51	0.0	-85.82	407.52	5.29	-80.53
O=C(CC[NH+]1CCCCC1)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029298635	0	52	0.0	-71.56	402.97	4.97	-66.59
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029298639	0	52	0.0	-65.60	410.51	5.66	-59.94
CC[N@@H+]1CCCCC1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029298649	0	52	0.0	-73.33	396.11	4.66	-68.67
CC[N@H+]1CCCCC1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029298649	1	52	0.0	-72.53	395.26	4.61	-67.92
CC(C)C(C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCCCC1	REAL300029298650	0	58	0.0	-69.80	423.37	5.95	-63.85
C[NH+](C)C(C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=CC=C1	REAL300029298653	1	52	0.0	-66.31	406.76	5.71	-60.60
CC(C)C[N@@H+]1CCC(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029298679	0	55	0.0	-79.07	421.15	5.41	-73.66
CC(C)C[N@H+]1CCC(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029298679	1	55	0.0	-71.29	419.10	5.30	-65.99
C[NH+](C)C1(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCC1	REAL300029298683	0	49	0.0	-67.56	365.72	3.44	-64.12
C[NH+](C)C(CN1C=CC=N1)C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029298685	1	52	0.0	-69.85	405.71	4.03	-65.82
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029298691	0	55	0.0	-65.73	406.57	5.07	-60.66
CC(C)[N@H+]1CCCC1CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029298691	1	55	0.0	-71.33	418.07	5.21	-66.12
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1CCC[N@@H+]1C1CCCC1)C2	REAL300029298692	0	56	0.0	-77.49	412.54	6.14	-71.35
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1CCC[N@H+]1C1CCCC1)C2	REAL300029298692	1	56	0.0	-74.52	421.82	5.85	-68.67
CC(C)[C@@H](C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029298719	0	51	0.0	-69.27	381.07	4.08	-65.19
C[N@H+](CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300029298785	0	49	0.0	-74.56	384.84	4.55	-70.01
C[N@@H+](CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300029298785	1	49	0.0	-74.14	383.65	4.49	-69.65
CC(C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1C(C)CCC1C	REAL300029298880	0	55	0.0	-64.11	407.34	4.90	-59.21
CN(CCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=[NH+]C=C1	REAL300029298962	0	51	0.0	-70.15	413.44	4.20	-65.95
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029298975	1	48	0.0	-74.11	384.02	4.28	-69.83
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029298975	1	48	0.0	-73.84	387.02	4.66	-69.18
C[N@@H+]1CCCC1CCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029298985	0	52	0.0	-82.12	406.16	5.05	-77.07
C[N@H+]1CCCC1CCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029298985	1	52	0.0	-71.57	399.61	4.57	-67.00
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C13CCC[NH+](CCC1)C3)C2	REAL300029298999	0	53	0.0	-78.49	385.19	4.19	-74.30
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1CCC3CCCC[N@@H+]31)C2	REAL300029299007	0	53	0.0	-73.62	396.68	4.96	-68.66
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1CCC3CCCC[N@H+]31)C2	REAL300029299007	1	53	0.0	-69.96	398.14	4.97	-64.99
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029299016	0	56	0.0	-67.07	408.60	3.16	-63.91
O=C(CCCC[NH+]1CCCC1)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029299036	0	55	0.0	-72.04	430.29	5.86	-66.18
C[N@H+](CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC1=CC=CC=C1	REAL300029299039	1	52	0.0	-81.74	415.40	6.16	-75.58
C[N@@H+](CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC1=CC=CC=C1	REAL300029299039	1	52	0.0	-81.67	415.45	6.15	-75.52
C[NH+]1CCC(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029299057	0	49	0.0	-83.25	382.34	4.08	-79.17
C[NH+](C)CC1=CC(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=NO1	REAL300029299124	1	48	0.0	-80.03	392.85	3.71	-76.32
CC1=C(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=CC2=C[NH+]=CN21	REAL300029299126	0	47	0.0	-71.95	390.45	6.13	-65.82
C[N@@H+]1CCCCC1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029299175	0	49	0.0	-70.14	366.42	3.59	-66.55
C[N@H+]1CCCCC1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029299175	1	49	0.0	-73.76	379.26	4.10	-69.66
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029299209	0	55	0.0	-69.56	409.70	5.75	-63.81
CC(C)C[N@H+]1CCCC1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029299209	1	55	0.0	-70.42	409.36	5.75	-64.67
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1=CN3C=[NH+]C=C3C=C1)C2	REAL300029299375	0	44	0.0	-76.54	362.16	5.57	-70.97
CC1=[NH+]C=CN1CCCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029299390	1	50	0.0	-68.48	409.94	5.46	-63.02
O=C(CCCC[NH+]1CCOCC1)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029299394	1	56	0.0	-75.39	437.24	4.14	-71.25
C[NH+](C)CC1=CC=C(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=C1	REAL300029299400	0	52	0.0	-75.21	410.33	5.53	-69.68
O=C(CC[NH+]1CCOCC1)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029299401	1	50	0.0	-74.97	394.24	2.55	-72.42
C[NH+](C)C(C)(C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=CC=C1	REAL300029299421	0	55	0.0	-81.28	406.34	6.13	-75.15
CCC[NH+](CCC)CCCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029299429	0	60	0.0	-72.44	457.05	6.47	-65.97
CC[N@H+](C)C(C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=CC=C1	REAL300029299430	0	55	0.0	-73.50	426.61	6.47	-67.03
CC[N@@H+](C)C(C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=CC=C1	REAL300029299430	1	55	0.0	-72.35	424.31	6.39	-65.96
CC1=C[NH+]=CN1CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029299453	1	44	0.0	-76.23	367.46	4.85	-71.38
O=C(CN1C=[NH+]C2=C1CCCC2)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029299466	1	51	0.0	-75.33	410.34	6.63	-68.70
C[NH+](C)CC1(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCCCC1	REAL300029299514	0	58	0.0	-83.18	410.14	5.95	-77.23
C[NH+](C)CCC1=CC=CC=C1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029299515	0	55	0.0	-67.90	428.72	6.39	-61.51
C[N@H+](CCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCCCC1	REAL300029299521	0	58	0.0	-75.35	437.15	6.15	-69.20
C[N@@H+](CCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCCCC1	REAL300029299521	1	58	0.0	-80.77	437.12	6.16	-74.61
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C13CCC[NH+]1CCC3)C2	REAL300029299526	0	50	0.0	-68.30	375.10	3.91	-64.39
C[NH+](C)C1CCCC(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029299566	0	55	0.0	-68.37	406.31	4.96	-63.41
C[N@@H+]1CCC(CC(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029299573	0	49	0.0	-74.26	384.01	4.14	-70.12
C[N@H+]1CCC(CC(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029299573	1	49	0.0	-73.91	384.37	4.15	-69.76
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029299587	0	48	0.0	-75.95	387.23	2.53	-73.42
CCC(C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029299593	0	48	0.0	-68.92	366.55	3.41	-65.51
C[NH+](C)C1(CC(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCCC1	REAL300029299617	0	55	0.0	-72.97	402.83	4.98	-67.99
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1=CC3=C[NH+]=CN3C=C1)C2	REAL300029299689	1	44	0.0	-77.53	372.92	5.93	-71.60
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1=NN(C3=CC=[NH+]C=C3)C=C1)C2	REAL300029299734	1	47	0.0	-80.27	394.39	4.20	-76.07
C[NH+](C)CCCCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029299769	0	51	0.0	-73.42	404.33	4.69	-68.73
CC(C)C(C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029299791	0	51	0.0	-67.26	381.67	4.05	-63.21
CCC[N@H+](C)CCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029299793	0	51	0.0	-80.48	400.33	4.54	-75.94
CCC[N@@H+](C)CCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029299793	1	51	0.0	-75.79	399.28	4.50	-71.29
CCC[N@H+](C)CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029299800	0	48	0.0	-70.60	378.20	3.94	-66.66
CCC[N@@H+](C)CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029299800	1	48	0.0	-76.08	376.65	3.91	-72.17
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C13CC[N@H+](C1)CCC3)C2	REAL300029299831	0	50	0.0	-73.50	370.56	3.34	-70.16
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C13CC[N@@H+](C1)CCC3)C2	REAL300029299831	1	50	0.0	-87.23	370.23	3.34	-83.89
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029299900	0	46	0.0	-73.38	356.02	3.00	-70.38
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029299900	1	46	0.0	-68.83	360.09	3.34	-65.49
CC1CC2CCC(C(=O)N3CCC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C[N@@H+]2C1	REAL300029299928	0	56	0.0	-73.39	426.51	5.81	-67.58
CC1CC2CCC(C(=O)N3CCC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C[N@H+]2C1	REAL300029299928	1	56	0.0	-63.24	418.49	5.81	-57.43
CCCCCC[N@H+](C)CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029299985	0	57	0.0	-78.13	442.46	6.31	-71.82
CCCCCC[N@@H+](C)CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029299985	1	57	0.0	-77.22	441.14	6.26	-70.96
CC[NH+](CC)C(C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C(C)C	REAL300029299996	0	57	0.0	-62.73	412.96	5.05	-57.68
CC[NH+](CC)CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029300007	0	48	0.0	-69.03	370.55	3.60	-65.43
CCC[N@@H+]1CCCC(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029300041	0	55	0.0	-69.28	411.35	5.55	-63.73
CCC[N@H+]1CCCC(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029300041	1	55	0.0	-71.57	421.62	5.43	-66.14
CC(C)[N@@H+]1CCOC(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029300065	1	53	0.0	-79.60	398.22	3.76	-75.84
CC(C)[N@H+]1CCOC(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029300065	1	53	0.0	-74.26	398.05	3.74	-70.52
CC1CC[NH+](CC(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029300107	0	52	0.0	-77.55	401.65	5.04	-72.51
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1=CN(C3=CC=[NH+]C=C3)N=C1)C2	REAL300029300139	1	47	0.0	-81.02	391.68	3.58	-77.44
C[NH+]1CCC(OCC(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029300149	0	53	0.0	-86.19	418.69	4.71	-81.48
C[NH+](C)CC1(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029300168	0	49	0.0	-73.41	386.88	4.14	-69.27
CC1=[NH+]C=C2CCC(C(=O)N3CCC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)CN21	REAL300029300169	1	51	0.0	-68.64	407.05	5.14	-63.50
CC(C)[NH+]1CCC(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029300276	0	55	0.0	-80.21	413.01	5.02	-75.19
C[NH+]1CCC(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029300307	0	49	0.0	-83.25	382.34	4.08	-79.17
CC(C)[C@H](C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029300330	0	51	0.0	-67.33	382.18	4.00	-63.33
CCC(C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](CC)CC	REAL300029300369	0	54	0.0	-64.66	399.93	4.65	-60.01
CC[N@H+](C)CCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029300468	0	48	0.0	-79.74	378.80	3.77	-75.97
CC[N@@H+](C)CCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029300468	1	48	0.0	-75.08	377.78	3.76	-71.32
CC1CCC[N@@H+]1CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029300550	0	49	0.0	-67.32	377.67	3.89	-63.43
CC1CCC[N@H+]1CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029300550	1	49	0.0	-68.55	376.39	3.88	-64.67
CC1CC[N@H+](CC(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029300553	0	49	0.0	-76.10	384.75	4.29	-71.81
CC1CC[N@@H+](CC(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029300553	1	49	0.0	-69.76	385.10	4.25	-65.51
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029300554	0	55	0.0	-69.12	415.97	4.66	-64.46
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029300554	1	55	0.0	-74.03	415.18	4.63	-69.40
CC1=[NH+]C=C2CC(C(=O)N3CCC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)CCN21	REAL300029300556	1	51	0.0	-72.80	407.12	5.16	-67.64
C[NH+](C)CCC1=CC=C(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=C1	REAL300029300558	0	55	0.0	-76.50	432.84	6.36	-70.14
CC1(C)CC[N@H+](CC(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029300560	0	52	0.0	-71.39	403.26	4.76	-66.63
CC1(C)CC[N@@H+](CC(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029300560	1	52	0.0	-77.19	403.37	4.73	-72.46
C[N@H+](CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC(C)(C)C	REAL300029300561	0	54	0.0	-76.96	406.58	4.96	-72.00
C[N@@H+](CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC(C)(C)C	REAL300029300561	1	54	0.0	-76.67	408.52	5.11	-71.56
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029300562	0	55	0.0	-79.53	436.55	6.94	-72.59
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029300562	1	55	0.0	-74.67	438.11	6.96	-67.71
CC[C@@H](C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029300574	0	48	0.0	-69.65	367.61	3.49	-66.16
CC(COCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCCC1	REAL300029300582	0	56	0.0	-70.16	437.60	5.33	-64.83
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1CC[NH+](CC3CC3)CC1)C2	REAL300029300684	0	56	0.0	-69.05	428.92	6.07	-62.98
C[NH+]1CCC(O)(CC(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029300841	0	53	0.0	-80.74	408.66	2.88	-77.86
COCC[N@@H+]1CCCC1CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029300848	0	56	0.0	-65.13	428.18	4.45	-60.68
COCC[N@H+]1CCCC1CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029300848	1	56	0.0	-70.44	435.99	3.96	-66.48
C[NH+](C)CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029300856	0	42	0.0	-71.10	338.97	2.52	-68.58
O=C(C[NH+]1CCC(CO)CC1)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029300861	0	53	0.0	-74.58	412.47	1.72	-72.86
O=C(C[NH+]1CCCCCC1)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029300865	0	52	0.0	-77.07	391.95	4.95	-72.12
CN1C=C[N+](CC(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300029300870	0	44	0.0	-69.19	370.20	6.02	-63.17
C[N@@H+]1CCCC(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029300881	0	49	0.0	-80.14	382.41	4.05	-76.09
C[N@H+]1CCCC(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029300881	1	49	0.0	-75.08	374.61	4.20	-70.88
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1CCC[N@@H+]1C1CC1)C2	REAL300029300887	0	50	0.0	-70.95	389.75	4.47	-66.48
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1CCC[N@H+]1C1CC1)C2	REAL300029300887	1	50	0.0	-66.74	386.08	4.72	-62.02
CC(C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCC1	REAL300029300927	1	46	0.0	-70.46	366.64	3.44	-67.02
CCC(CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300029300937	0	54	0.0	-72.79	410.44	5.02	-67.77
C[NH+](C)CC(C)(C)C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029300946	0	51	0.0	-80.69	375.76	3.96	-76.73
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C13CC(C1)C[N@@H+]3C1CC1)C2	REAL300029300970	0	51	0.0	-77.16	398.19	5.05	-72.11
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C13CC(C1)C[N@H+]3C1CC1)C2	REAL300029300970	1	51	0.0	-79.31	387.54	5.70	-73.61
O=C(C[NH+]1CCC(O)CC1)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029300994	1	50	0.0	-77.49	391.87	1.06	-76.43
C[N@H+](CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029300996	0	46	0.0	-67.63	368.24	3.93	-63.70
C[N@@H+](CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029300996	1	46	0.0	-71.05	367.09	3.93	-67.12
CC(C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)N1CC[NH+](C)CC1	REAL300029300997	1	54	0.0	-77.19	407.31	2.19	-75.00
C[NH+]1CC(CC(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029301027	0	46	0.0	-78.89	370.03	3.41	-75.48
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1CC[N@@H+]1C1CCCC1)C2	REAL300029301031	0	53	0.0	-76.17	405.64	5.19	-70.98
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1CC[N@H+]1C1CCCC1)C2	REAL300029301031	1	53	0.0	-71.51	402.22	4.94	-66.57
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029301040	0	52	0.0	-74.96	377.93	3.68	-71.28
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029301040	1	52	0.0	-67.60	382.15	3.62	-63.98
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1CCN(C3=CC=[NH+]C=C3)C1)C2	REAL300029301051	0	52	0.0	-74.58	410.53	2.86	-71.72
C[C@@H](C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029301054	0	45	0.0	-69.48	355.69	2.85	-66.63
CCC1CCC[N@H+](CC(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029301108	0	55	0.0	-70.43	412.94	5.58	-64.85
CCC1CCC[N@@H+](CC(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029301108	1	55	0.0	-71.92	411.67	5.59	-66.33
C[NH+](C)CC1=CC=C(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)N1	REAL300029301117	0	50	0.0	-68.55	399.43	4.08	-64.47
C[NH+]1C2CCC1CC(CC(=O)N1CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029301132	0	56	0.0	-69.24	404.65	5.00	-64.24
C[NH+](C)C(CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=CC=C1	REAL300029301139	0	55	0.0	-74.60	428.82	6.54	-68.06
[NH2+]=C1SC=CN1CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029301181	0	42	0.0	-72.79	364.48	2.68	-70.11
C[N@H+](CCO)CCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029301195	0	49	0.0	-79.44	389.18	0.59	-78.85
C[N@@H+](CCO)CCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029301195	1	49	0.0	-74.46	388.11	0.53	-73.93
C[C@@H](C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029301196	0	45	0.0	-69.48	355.69	2.85	-66.63
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029301201	0	49	0.0	-67.70	371.28	3.76	-63.94
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029301201	1	49	0.0	-69.33	378.31	4.05	-65.28
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029301211	0	52	0.0	-73.02	387.48	1.18	-71.84
CC1CN2CC[N@H+]1CC2C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029301211	1	52	0.0	-84.81	387.43	1.20	-83.61
COC1C[N@@H+]2CCCC2(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029301264	0	54	0.0	-70.93	408.06	2.86	-68.07
COC1C[N@H+]2CCCC2(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029301264	1	54	0.0	-70.04	408.06	2.89	-67.15
O=C(CC1=CC2=C[NH+]=CN2C=C1)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029301280	0	47	0.0	-75.39	391.83	6.71	-68.68
C[N@H+](CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCSC1	REAL300029301314	0	50	0.0	-80.15	396.90	4.74	-75.41
C[N@@H+](CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCSC1	REAL300029301314	1	50	0.0	-76.29	398.24	4.77	-71.52
O=C(C[NH+]1CCC1)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029301315	1	43	0.0	-76.69	347.69	2.98	-73.71
C[NH+](C)CC1=CC(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC=N1	REAL300029301354	1	51	0.0	-72.87	407.32	3.74	-69.13
C[N@@H+]1CCC(=CC(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029301356	0	47	0.0	-76.63	376.88	4.08	-72.55
C[N@H+]1CCC(=CC(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029301356	1	47	0.0	-81.97	376.84	4.07	-77.90
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1C[NH+](C3CCCCC3)C1)C2	REAL300029301384	0	56	0.0	-78.89	430.02	5.91	-72.98
C[NH+](C)CCOCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029301403	0	49	0.0	-70.40	394.84	3.64	-66.76
CCCCC[N@H+](C)CCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029301410	0	57	0.0	-81.37	443.33	6.10	-75.27
CCCCC[N@@H+](C)CCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029301410	1	57	0.0	-76.74	442.27	6.07	-70.67
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029301420	0	53	0.0	-73.24	414.49	4.41	-68.83
C=CCC(C)(C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029301432	0	52	0.0	-64.76	383.37	4.07	-60.69
C[S+](C)CCC(O)C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029301437	0	48	0.0	-76.74	399.05	1.97	-74.77
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029301475	0	50	0.0	-68.23	375.64	-0.51	-68.74
CN1CC[N@H+](C)CC(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029301490	0	54	0.0	-75.73	409.26	2.47	-73.26
CN1CC[N@@H+](C)CC(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029301490	1	54	0.0	-75.73	409.26	2.47	-73.26
CC(C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[N@@H+]1CCCC(O)C1	REAL300029301491	0	53	0.0	-69.21	407.13	1.41	-67.80
C[N@@H+]1CCCC(O)(CC(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029301518	0	53	0.0	-78.00	396.47	2.84	-75.16
C[N@H+]1CCCC(O)(CC(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029301518	1	53	0.0	-78.00	396.47	2.84	-75.16
CC1CN(CC(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029301522	0	46	0.0	-72.34	367.71	3.67	-68.67
CC1C[NH+](CC(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029301522	1	46	0.0	-72.34	367.71	3.67	-68.67
CN(CCO)CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029301553	0	46	0.0	-77.34	365.50	-0.07	-77.41
C[N@H+](CCO)CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029301553	1	46	0.0	-77.69	366.58	-0.01	-77.70
C[N@@H+](CCO)CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029301553	1	46	0.0	-77.69	366.58	-0.01	-77.70
C[NH+]1C2CCC1CC(=CC(=O)N1CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029301579	0	54	0.0	-72.26	409.98	5.44	-66.82
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1C[N@@H+]3CCN1CCC3)C2	REAL300029301584	0	52	0.0	-85.31	385.01	1.75	-83.56
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1C[N@H+]3CCN1CCC3)C2	REAL300029301584	1	52	0.0	-85.31	385.01	1.75	-83.56
CC[N@@H+]1CCCC(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029301593	0	52	0.0	-74.85	392.27	4.86	-69.99
CC[N@H+]1CCCC(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029301593	1	52	0.0	-74.85	392.27	4.86	-69.99
CC(CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300029301595	0	51	0.0	-72.43	396.16	4.55	-67.88
CC[N@H+](C)CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029301612	0	45	0.0	-76.69	356.47	3.24	-73.45
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C13CCC[N@@H+]1CCCC3)C2	REAL300029301643	0	53	0.0	-65.38	384.78	4.12	-61.26
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C13CCC[N@H+]1CCCC3)C2	REAL300029301643	1	53	0.0	-65.38	384.78	4.12	-61.26
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C13CCC[N@@H+]1CC=CC3)C2	REAL300029301653	0	51	0.0	-70.14	378.52	4.22	-65.92
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C13CCC[N@H+]1CC=CC3)C2	REAL300029301653	1	51	0.0	-70.14	378.52	4.22	-65.92
CC[N@H+](CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029301682	0	49	0.0	-67.67	385.01	4.52	-63.15
CC[NH+](CC)CCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029301707	0	51	0.0	-71.25	396.91	4.48	-66.77
CC1(C)CN(CC(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029301741	0	49	0.0	-71.96	388.27	4.14	-67.82
CC1(C)C[NH+](CC(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029301741	1	49	0.0	-71.96	388.27	4.14	-67.82
O=C(CCCC[NH+]1CCCCC1)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029301747	0	58	0.0	-80.09	445.28	6.57	-73.52
CC1(O)CC[N@H+](CC(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029301782	0	50	0.0	-74.37	393.35	0.92	-73.45
C[NH+](C)CC=CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029301795	0	46	0.0	-75.66	374.19	3.71	-71.95
CC(OCC[NH+](C)C)C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029301825	0	52	0.0	-67.86	409.93	4.10	-63.76
C[NH+](C)CCOCCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029301837	0	52	0.0	-71.92	415.78	3.35	-68.57
COCCN(C)CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029301838	0	49	0.0	-77.48	388.83	2.41	-75.07
COCC[N@H+](C)CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029301838	1	49	0.0	-77.59	387.75	2.33	-75.26
COCC[N@@H+](C)CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029301838	1	49	0.0	-77.59	387.75	2.33	-75.26
COCCCC[N@H+](C)CCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029301871	0	58	0.0	-84.35	455.50	4.39	-79.96
COCCCC[N@@H+](C)CCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029301871	1	58	0.0	-79.66	454.45	4.36	-75.30
C[NH+](C)C1(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCCC1	REAL300029301897	0	52	0.0	-74.34	378.13	4.07	-70.27
CC(CCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029301900	0	51	0.0	-75.02	392.60	4.27	-70.75
CC[N@@H+]1CCC1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029301911	1	46	0.0	-75.37	358.78	3.13	-72.24
CC[N@H+]1CCC1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029301911	1	46	0.0	-71.17	368.87	3.46	-67.71
CC(C)[N@@H+]1CCCC(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029301926	0	55	0.0	-68.39	409.16	5.35	-63.04
CC(C)[N@H+]1CCCC(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029301926	1	55	0.0	-73.41	408.89	5.38	-68.03
CC(C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300029301933	0	55	0.0	-78.52	430.95	6.45	-72.07
CC(C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300029301933	1	55	0.0	-78.83	432.12	6.48	-72.35
O=C(C[N@H+]1CCCC1CO)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029301942	0	50	0.0	-76.88	391.93	0.96	-75.92
O=C(C[N@@H+]1CCCC1CO)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029301942	1	50	0.0	-74.06	383.57	1.01	-73.05
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1CC3CCCC[N@@H+]3C1)C2	REAL300029301972	0	53	0.0	-74.60	402.61	5.10	-69.50
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1CC3CCCC[N@H+]3C1)C2	REAL300029301972	1	53	0.0	-79.47	402.76	5.05	-74.42
C[NH+]1CCC(C)(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029301982	0	52	0.0	-71.75	385.39	4.07	-67.68
C[NH+](C)CC1=CNC(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300029301988	0	50	0.0	-75.34	399.54	4.03	-71.31
CC(C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCC(O)CC1	REAL300029302010	0	53	0.0	-74.27	408.62	1.40	-72.87
C=CCC(C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029302028	0	49	0.0	-68.01	379.96	3.88	-64.13
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029302048	0	52	0.0	-70.88	396.71	4.08	-66.80
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029302048	1	52	0.0	-74.63	396.42	4.16	-70.47
C[NH+](C)CCCCCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029302053	0	54	0.0	-73.01	425.83	5.47	-67.54
O=C(C[NH+]1CC2CC2C1)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029302064	0	47	0.0	-76.11	372.88	4.38	-71.73
CC1C[N@@H+]2CCN1C(C(=O)N1CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029302105	0	52	0.0	-76.76	377.07	3.17	-73.59
CC1C[N@H+]2CCN1C(C(=O)N1CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029302105	1	52	0.0	-76.49	387.54	1.27	-75.22
CCCC(C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029302106	0	51	0.0	-70.01	388.06	4.19	-65.82
C[NH+](C)C(C)(C)C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029302111	0	48	0.0	-71.89	357.57	3.09	-68.80
CC[NH+](CC)CCSCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029302154	0	55	0.0	-74.09	441.56	5.86	-68.23
C[N@@H+]1CCCCC1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029302166	0	49	0.0	-70.14	366.42	3.59	-66.55
C[N@H+]1CCCCC1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029302166	1	49	0.0	-73.76	379.26	4.10	-69.66
C[N@H+]1CC=C(CC(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029302222	0	50	0.0	-71.07	398.10	4.87	-66.20
C[N@@H+]1CC=C(CC(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029302222	1	50	0.0	-69.69	398.10	4.86	-64.83
O=C(CC1([NH+]2CCCC2)CC1)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029302234	0	53	0.0	-75.56	402.92	5.26	-70.30
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029302293	0	58	0.0	-91.51	414.32	4.63	-86.88
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029302293	1	58	0.0	-91.51	414.32	4.63	-86.88
CN(C)CC1=CC=C(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029302298	0	49	0.0	-77.87	398.17	4.29	-73.58
C[NH+](C)CC1=CC=C(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029302298	1	49	0.0	-77.87	398.17	4.29	-73.58
O=C(C=CC[NH+]1CCCC1)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029302322	0	50	0.0	-81.88	398.57	4.80	-77.08
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1CC[NH+](C3CC3)CC1)C2	REAL300029302351	0	53	0.0	-80.48	407.10	5.28	-75.20
O=C(CC[NH+]1CCCC1)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029302380	0	49	0.0	-71.63	387.30	4.27	-67.36
C[N@@H+]1CC2CC1(C(=O)N1CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029302446	0	47	0.0	-80.87	366.30	3.77	-77.10
O=C(C[N@@H+]1CC2CCC1C2)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029302462	0	50	0.0	-74.55	382.17	4.39	-70.16
O=C(C[N@H+]1CC2CCC1C2)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029302462	1	50	0.0	-74.55	382.17	4.39	-70.16
CC(C)[NH+]1CCC(CC(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029302476	0	58	0.0	-70.09	435.19	6.11	-63.98
O=C(C=C1C[NH+]2CCC1CC2)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029302528	0	51	0.0	-71.90	394.44	4.92	-66.98
O=C(CN1CC2C=CC1C2)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029302542	0	48	0.0	-68.73	376.62	4.37	-64.36
O=C(C[N@@H+]1CC2C=CC1C2)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029302542	1	48	0.0	-68.47	378.32	4.48	-63.99
O=C(C[N@H+]1CC2C=CC1C2)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029302542	1	48	0.0	-68.47	378.32	4.48	-63.99
C[NH+](C)CC(C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=CC=C1	REAL300029302583	0	55	0.0	-76.21	432.59	6.41	-69.80
CC(C[NH+](C)C)C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029302612	0	48	0.0	-71.10	377.83	3.66	-67.44
C[N@@H+]1CCCCC1CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029302717	0	52	0.0	-73.99	396.56	4.72	-69.27
C[N@H+]1CCCCC1CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029302717	1	52	0.0	-73.99	396.56	4.72	-69.27
CC1=C2C=C(C(=O)N3CCC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C=CN2C=N1	REAL300029302740	0	47	0.0	-75.12	394.83	6.49	-68.63
CC1=C2C=C(C(=O)N3CCC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C=CN2C=[NH+]1	REAL300029302740	1	47	0.0	-75.12	394.83	6.49	-68.63
CC1CCN1CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029302745	0	46	0.0	-71.72	370.02	3.62	-68.10
CC1CC[N@@H+]1CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029302745	1	46	0.0	-70.33	369.01	3.64	-66.69
CC1CC[N@H+]1CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029302745	1	46	0.0	-70.33	369.01	3.64	-66.69
C[NH+](C)CC(O)CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029302750	0	49	0.0	-84.01	391.35	1.64	-82.37
CC1CN(C)CC(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029302789	0	50	0.0	-71.79	385.80	3.55	-68.24
CC1C[N@H+](C)CC(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029302789	1	50	0.0	-84.21	384.94	3.11	-81.10
CC1C[N@@H+](C)CC(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029302789	1	50	0.0	-84.21	384.94	3.11	-81.10
O=C(CC[NH+]1CCC(O)CC1)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029302802	0	53	0.0	-82.15	413.38	1.63	-80.52
CCC[N@@H+]1CCCCC1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029302805	0	55	0.0	-76.05	410.37	5.20	-70.85
CCC[N@H+]1CCCCC1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029302805	1	55	0.0	-76.05	410.37	5.20	-70.85
CC[NH+]1CCN(CCC(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029302810	0	57	0.0	-73.00	437.58	3.20	-69.80
CCN1CC[NH+](CCC(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029302810	1	57	0.0	-73.00	437.58	3.20	-69.80
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]3CCCC[C@H]13)C2	REAL300029302813	0	56	0.0	-65.03	412.88	5.90	-59.13
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]3CCCC[C@H]13)C2	REAL300029302813	1	56	0.0	-65.03	412.88	5.90	-59.13
CC(C)C[NH+]1CCC(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029302863	0	58	0.0	-83.40	437.71	6.13	-77.27
C[NH+](C)C1CCN(CC(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029302891	0	57	0.0	-78.33	431.14	3.20	-75.13
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029302914	0	49	0.0	-72.02	386.90	4.25	-67.77
CC(CC[NH+](C)C)C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029302922	0	51	0.0	-71.32	399.48	4.28	-67.04
C[N@H+](CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[C@@H]1CCC[C@H]1O	REAL300029302956	0	53	0.0	-73.96	408.81	1.71	-72.25
C[N@@H+](CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[C@@H]1CCC[C@H]1O	REAL300029302956	1	53	0.0	-71.79	409.69	1.75	-70.04
C#CC[N@H+]1CCCCC1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029302966	1	51	0.0	-65.30	403.73	5.22	-60.08
C#CC[N@@H+]1CCCCC1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029302966	1	51	0.0	-69.41	391.62	4.79	-64.62
C[NH+](C)C(CC1=CC=CC=C1)C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029302971	0	55	0.0	-77.28	422.77	6.30	-70.98
C[NH+]1CCN(CC(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029302973	1	51	0.0	-72.46	397.41	2.02	-70.44
CC[NH+]1CCN(CC(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029302985	0	54	0.0	-77.33	414.56	2.67	-74.66
NC(=[NH2+])SCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029303019	0	40	0.0	-72.16	347.50	-0.57	-72.73
CC[N@@H+]1CCOCC1CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029303067	0	53	0.0	-77.84	400.79	2.82	-75.02
C[NH+](C)CCC1(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCCC1	REAL300029303086	0	58	0.0	-85.96	429.42	5.52	-80.44
CC1CCCC(C)[NH+]1CCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029303088	0	58	0.0	-68.59	429.55	5.63	-62.96
C[NH+](C)C1CCC(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029303091	0	55	0.0	-68.57	407.85	5.21	-63.36
C[NH+](C)CCC1(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029303092	0	52	0.0	-74.16	408.91	4.79	-69.37
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029303096	0	55	0.0	-67.28	405.62	4.92	-62.36
C[N@@H+]1CC=CCC1CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029303097	0	50	0.0	-81.90	389.90	4.63	-77.27
C[N@H+]1CC=CCC1CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029303097	1	50	0.0	-81.90	389.90	4.63	-77.27
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029303129	0	52	0.0	-71.36	408.80	4.08	-67.28
C[NH+]1C2CCC1CC(C(=O)N1CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029303164	0	53	0.0	-65.92	397.60	4.64	-61.28
CC(C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCSCC1	REAL300029303327	1	50	0.0	-71.06	396.79	4.45	-66.61
CCC1C[NH+](CC(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029303330	0	49	0.0	-72.83	390.35	4.38	-68.45
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1C[NH+](C3CCOCC3)C1)C2	REAL300029303332	0	54	0.0	-79.46	420.83	3.51	-75.95
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1([NH+]3CCCC3)CCC1)C2	REAL300029303334	0	53	0.0	-79.02	394.81	4.71	-74.31
C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029303345	1	46	0.0	-76.84	355.92	3.01	-73.83
O=C(CC[N@@H+]1CCC(F)C1)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029303355	1	49	0.0	-84.35	393.34	4.38	-79.97
COC1C[N@@H+](C)C(C)(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029303364	1	53	0.0	-75.62	399.09	2.71	-72.91
O=C(CC[NH+]1CCCCCC1)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029303377	0	55	0.0	-73.64	412.99	5.17	-68.47
O=C(C[NH+]1CCCCC1)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029303380	0	49	0.0	-72.93	379.42	4.37	-68.56
CC1C(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029303390	0	49	0.0	-72.85	380.01	3.84	-69.01
CC1C(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029303390	1	49	0.0	-83.37	374.22	3.49	-79.88
C[N@@H+]1CCCCC1CCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029303393	0	55	0.0	-71.98	412.91	5.28	-66.70
C[N@H+]1CCCCC1CCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029303393	1	55	0.0	-82.76	412.70	5.30	-77.46
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1CC[N@@H+]3CCOCC13)C2	REAL300029303431	0	51	0.0	-81.22	394.82	2.71	-78.51
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1CC[N@H+]3CCOCC13)C2	REAL300029303431	1	51	0.0	-73.95	390.50	2.75	-71.20
CC1=[NH+]C=C2C=CC(C(=O)N3CCC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)=CN21	REAL300029303439	0	47	0.0	-74.53	394.12	5.68	-68.85
CN1CCOCC1CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029303462	0	50	0.0	-84.55	388.32	2.39	-82.16
C[N@@H+]1CCOCC1CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029303462	1	50	0.0	-79.62	387.96	2.34	-77.28
C[N@H+]1CCOCC1CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029303462	1	50	0.0	-84.55	388.32	2.39	-82.16
CC1=C(C)[NH+]=C(CCC(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)N1	REAL300029303474	1	50	0.0	-68.41	408.97	3.85	-64.56
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300029303486	0	55	0.0	-77.96	433.08	6.37	-71.59
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1CCN1CC1=CC=CC=C1)C2	REAL300029303490	0	53	0.0	-76.78	428.89	6.48	-70.30
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1CC[N@@H+]1CC1=CC=CC=C1)C2	REAL300029303490	1	53	0.0	-69.69	422.14	6.12	-63.57
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1CC[N@H+]1CC1=CC=CC=C1)C2	REAL300029303490	1	53	0.0	-76.78	428.89	6.48	-70.30
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029303494	0	58	0.0	-69.91	428.82	6.01	-63.90
CC(C)C[N@H+]1CCCC(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029303494	1	58	0.0	-75.56	438.76	6.14	-69.42
C[N@H+]1CCCC1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029303662	1	46	0.0	-74.87	355.92	2.96	-71.91
CN1CCOC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029303688	0	47	0.0	-78.42	364.50	2.68	-75.74
C[N@@H+]1CCOC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029303688	1	47	0.0	-76.84	370.97	2.84	-74.00
C[N@H+]1CCOC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029303688	1	47	0.0	-78.42	364.50	2.68	-75.74
CC1=[NH+]C=CN1CCCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029303861	1	50	0.0	-72.27	407.73	5.39	-66.88
O=C(CCCC[NH+]1CCOCC1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029303865	1	56	0.0	-76.44	434.97	4.12	-72.32
C[NH+](C)CC1=CC=C(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C=C1	REAL300029303871	0	52	0.0	-80.01	410.64	5.55	-74.46
O=C(CC[NH+]1CCOCC1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029303872	1	50	0.0	-78.44	392.03	2.50	-75.94
C[NH+](C)C(C)(C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300029303892	0	55	0.0	-72.33	405.97	6.21	-66.12
CCC[NH+](CCC)CCCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029303900	0	60	0.0	-73.51	454.79	6.46	-67.05
CC[N@H+](C)C(C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300029303901	0	55	0.0	-74.65	424.19	6.49	-68.16
CC[N@@H+](C)C(C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300029303901	1	55	0.0	-70.20	430.06	6.61	-63.59
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1	REAL300029303919	0	50	0.0	-72.20	377.56	4.10	-68.10
O=C(C1=CC2=C[NH+]=CN2C=C1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029303937	1	44	0.0	-77.17	362.74	5.59	-71.58
C[NH+](C)C1CCCC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029304017	0	55	0.0	-76.68	405.98	4.97	-71.71
C[N@@H+]1CCC(CC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029304024	0	49	0.0	-76.41	383.73	4.09	-72.32
C[N@H+]1CCC(CC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029304024	1	49	0.0	-79.55	384.22	4.12	-75.43
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029304038	0	48	0.0	-72.83	384.57	2.83	-70.00
CCC(C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029304044	0	48	0.0	-71.70	369.33	3.60	-68.10
O=C(C1=NN(C2=CC=[NH+]C=C2)C=C1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029304054	1	47	0.0	-79.73	394.32	4.01	-75.72
CC1CC2CCC(C(=O)N3CC4(C3)CCN(C(=O)C3=CC(=O)[N-]O3)C4)C[N@@H+]2C1	REAL300029304106	0	56	0.0	-66.92	423.80	5.60	-61.32
CC1CC2CCC(C(=O)N3CC4(C3)CCN(C(=O)C3=CC(=O)[N-]O3)C4)C[N@H+]2C1	REAL300029304106	1	56	0.0	-62.38	417.00	5.82	-56.56
C[NH+](C)CCCCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029304144	0	51	0.0	-74.55	402.07	4.66	-69.89
CC(C)C(C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029304168	0	51	0.0	-70.84	382.55	4.23	-66.61
CCC[N@H+](C)CCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029304170	0	51	0.0	-76.80	398.31	4.43	-72.37
CCC[N@@H+](C)CCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029304170	1	51	0.0	-76.58	398.35	4.46	-72.12
CCC[N@H+](C)CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029304177	0	48	0.0	-73.89	375.98	3.89	-70.00
CCC[N@@H+](C)CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029304177	1	48	0.0	-76.17	376.99	3.96	-72.21
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C34CC[N@H+](C3)CCC4)C2)C1	REAL300029304208	0	50	0.0	-75.76	374.13	3.45	-72.31
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C34CC[N@@H+](C3)CCC4)C2)C1	REAL300029304208	1	50	0.0	-78.42	374.39	3.47	-74.95
CCCCCC[N@H+](C)CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029304262	0	57	0.0	-73.62	440.43	6.28	-67.34
CCCCCC[N@@H+](C)CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029304262	1	57	0.0	-75.28	440.46	6.25	-69.03
CC[NH+](CC)C(C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C(C)C	REAL300029304273	0	57	0.0	-67.31	418.78	5.56	-61.75
CC1CC[NH+](CC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029304318	0	52	0.0	-74.31	399.67	4.95	-69.36
O=C(C1=CN(C2=CC=[NH+]C=C2)N=C1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029304350	1	47	0.0	-77.50	392.51	3.60	-73.90
C[NH+]1CCC(OCC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029304360	0	53	0.0	-81.47	416.67	4.63	-76.84
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3CC4CCCC[N@@H+]4C3)C2)C1	REAL300029304433	0	53	0.0	-72.46	403.67	5.18	-67.28
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3CC4CCCC[N@H+]4C3)C2)C1	REAL300029304433	1	53	0.0	-66.43	402.91	5.15	-61.28
C[NH+](C)CC1(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029304449	0	49	0.0	-79.10	389.07	4.24	-74.86
CC1=[NH+]C=C2CCC(C(=O)N3CC4(C3)CCN(C(=O)C3=CC(=O)[N-]O3)C4)CN21	REAL300029304450	1	51	0.0	-69.22	405.75	5.14	-64.08
CC(C)[NH+]1CCC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029304462	0	55	0.0	-74.03	412.92	5.16	-68.87
CC[N@H+](C)CCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029304502	0	48	0.0	-76.05	376.85	3.73	-72.32
CC[N@@H+](C)CCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029304502	1	48	0.0	-75.91	376.81	3.67	-72.24
CC(C)(C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCC1	REAL300029304538	0	55	0.0	-75.54	401.11	5.38	-70.16
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3C[NH+]4CCC3CC4)C2)C1	REAL300029304557	0	50	0.0	-77.67	375.82	4.16	-73.51
C[NH+]1CCC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029304659	0	49	0.0	-80.89	378.99	3.95	-76.94
CC(C)[C@H](C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029304682	0	51	0.0	-70.80	378.87	4.12	-66.68
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1	REAL300029304784	0	56	0.0	-78.60	427.78	6.14	-72.46
CC[NH+](CC)CC(F)C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029304832	0	51	0.0	-76.90	395.40	4.16	-72.74
C[NH+](C)CC1=C(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)SC=C1	REAL300029304833	0	49	0.0	-64.48	397.76	4.85	-59.63
CC(C)C[N@@H+]1CCC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029304880	0	55	0.0	-77.40	421.33	5.48	-71.92
CC(C)C[N@H+]1CCC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029304880	1	55	0.0	-73.93	421.55	5.38	-68.55
C[NH+](C)C1(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CCC1	REAL300029304884	0	49	0.0	-81.84	367.96	3.77	-78.07
CCC(C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](CC)CC	REAL300029304923	0	54	0.0	-67.22	402.77	4.75	-62.47
CC1CCC[N@@H+]1CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029304955	0	49	0.0	-70.55	375.40	3.85	-66.70
CC1CCC[N@H+]1CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029304955	1	49	0.0	-64.77	376.44	3.89	-60.88
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029305054	1	53	0.0	-69.42	422.22	5.65	-63.77
CC(C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCCC1	REAL300029305061	0	55	0.0	-69.83	406.30	4.85	-64.98
CC(C)[N@@H+]1CCCCC1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029305064	0	55	0.0	-63.56	402.59	4.83	-58.73
CC(C)[N@H+]1CCCCC1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029305064	1	55	0.0	-67.27	409.24	4.98	-62.29
CC(C)[N@@H+]1CCCC1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029305099	0	52	0.0	-73.70	388.75	4.87	-68.83
CC(C)[N@H+]1CCCC1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029305099	1	52	0.0	-68.98	394.23	4.47	-64.51
C[NH+](C)C(CN1C=CC=N1)C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029305106	1	52	0.0	-68.84	408.63	3.70	-65.14
CC(C)[N@@H+]1CCCC1CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029305112	0	55	0.0	-64.59	405.95	5.01	-59.58
CC(C)[N@H+]1CCCC1CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029305112	1	55	0.0	-75.32	417.13	5.17	-70.15
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3CCC[N@@H+]3C3CCCC3)C2)C1	REAL300029305113	0	56	0.0	-64.18	409.10	6.04	-58.14
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3CCC[N@H+]3C3CCCC3)C2)C1	REAL300029305113	1	56	0.0	-67.35	415.37	6.24	-61.11
CC(C)[C@@H](C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029305140	0	51	0.0	-70.55	382.33	4.37	-66.18
CC1CC[N@H+](CC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029305177	0	49	0.0	-70.61	382.57	4.23	-66.38
CC1CC[N@@H+](CC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029305177	1	49	0.0	-73.25	382.10	4.22	-69.03
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029305178	0	55	0.0	-68.48	417.72	4.77	-63.71
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029305178	1	55	0.0	-66.01	418.96	4.72	-61.29
CC1=[NH+]C=C2CC(C(=O)N3CC4(C3)CCN(C(=O)C3=CC(=O)[N-]O3)C4)CCN21	REAL300029305180	1	51	0.0	-67.70	404.45	5.10	-62.60
C[NH+](C)CCC1=CC=C(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C=C1	REAL300029305182	0	55	0.0	-80.48	433.14	6.40	-74.08
CC1(C)CC[N@H+](CC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029305184	0	52	0.0	-70.82	401.70	4.74	-66.08
CC1(C)CC[N@@H+](CC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029305184	1	52	0.0	-70.62	402.02	4.76	-65.86
C[N@H+](CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300029305185	0	54	0.0	-72.23	404.54	4.91	-67.32
C[N@@H+](CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300029305185	1	54	0.0	-75.87	407.54	5.09	-70.78
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029305186	0	55	0.0	-79.88	436.90	6.98	-72.90
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029305186	1	55	0.0	-76.57	435.84	6.96	-69.61
CC[C@@H](C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029305198	0	48	0.0	-69.32	366.62	3.50	-65.82
CC(COCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCC1	REAL300029305206	0	56	0.0	-74.00	435.38	5.27	-68.73
CN(CCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=[NH+]C=C1	REAL300029305379	0	51	0.0	-70.18	411.43	4.19	-65.99
CC1=[NH+]C=CN1CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029305512	1	44	0.0	-72.74	367.16	4.14	-68.60
CC(C[NH+]1CCOCC1)C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029305514	0	53	0.0	-77.21	408.31	3.09	-74.12
O=C(CCC[NH+]1CCCCC1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029305536	0	55	0.0	-75.57	422.26	5.72	-69.85
C[NH+](C)CC1=CC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)=NO1	REAL300029305559	1	48	0.0	-79.44	393.81	3.59	-75.85
CC1=C(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C=CC2=C[NH+]=CN21	REAL300029305561	0	47	0.0	-73.59	389.26	6.20	-67.39
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029305615	1	50	0.0	-69.29	402.39	5.21	-64.08
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3CCCC4CCC[N@@H+]43)C2)C1	REAL300029305672	0	53	0.0	-63.95	391.42	4.77	-59.18
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3CCCC4CCC[N@H+]43)C2)C1	REAL300029305672	1	53	0.0	-64.48	391.11	4.73	-59.75
CC[N@@H+]1CCOC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029305710	1	50	0.0	-80.95	389.35	3.51	-77.44
CC[N@H+]1CCOC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029305710	1	50	0.0	-78.67	382.05	3.30	-75.37
O=C(C1=CN2C=[NH+]C=C2C=C1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029305795	0	44	0.0	-73.26	362.42	5.59	-67.67
CC1=C[NH+]=CN1CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029305800	1	44	0.0	-74.61	365.44	4.79	-69.82
C[NH+](C)CCN1C=C(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C=N1	REAL300029305806	0	52	0.0	-77.60	417.52	3.65	-73.95
C[NH+](C)CCN1C=CC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300029305822	0	52	0.0	-81.31	419.31	4.08	-77.23
C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029305829	0	49	0.0	-70.61	374.89	3.83	-66.78
C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029305829	1	49	0.0	-79.30	379.85	3.79	-75.51
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029305832	1	53	0.0	-69.52	422.71	5.70	-63.82
CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029305835	0	52	0.0	-73.54	389.43	4.06	-69.48
CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029305835	1	52	0.0	-69.75	393.94	4.58	-65.17
CC1CCC(C)[NH+]1CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029305860	0	52	0.0	-68.53	393.88	4.53	-64.00
O=C(CCC[NH+]1CCCC1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029305867	0	52	0.0	-75.38	404.99	4.92	-70.46
C[NH+](C)CC1=CC=CC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029305868	0	52	0.0	-76.98	410.38	5.55	-71.43
C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029305876	0	51	0.0	-80.81	401.97	5.13	-75.68
O=C(CC[NH+]1CCCCC1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029305877	0	52	0.0	-75.27	400.72	4.89	-70.38
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029305882	0	52	0.0	-62.74	405.99	5.96	-56.78
CC[N@@H+]1CCCCC1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029305892	0	52	0.0	-69.28	382.60	4.28	-65.00
CC[N@H+]1CCCCC1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029305892	1	52	0.0	-71.82	385.50	4.35	-67.47
CC(C)C(C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCC1	REAL300029305893	0	58	0.0	-72.59	424.65	6.22	-66.37
C[NH+](C)C(C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300029305896	1	52	0.0	-73.61	407.30	5.82	-67.79
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029305905	1	51	0.0	-70.82	408.33	6.58	-64.24
C[NH+](C)CC1(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CCCCC1	REAL300029305954	0	58	0.0	-85.85	418.51	5.44	-80.41
C[NH+](C)CCC1=CC=CC=C1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029305955	0	55	0.0	-66.18	428.04	6.41	-59.77
C[N@H+](CCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCCC1	REAL300029305961	0	58	0.0	-76.91	435.13	6.06	-70.85
C[N@@H+](CCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCCC1	REAL300029305961	1	58	0.0	-76.51	435.17	6.09	-70.42
C[NH+](C)C1(CC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300029305964	0	55	0.0	-74.75	400.56	4.95	-69.80
C[N@H+](CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300029306226	0	49	0.0	-73.88	383.98	4.52	-69.36
C[N@@H+](CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300029306226	1	49	0.0	-72.19	382.88	4.48	-67.71
CC(C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1C(C)CCC1C	REAL300029306263	0	55	0.0	-65.96	406.83	4.87	-61.09
O=C(CCCC[NH+]1CCCC1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029306283	0	55	0.0	-76.03	428.08	5.80	-70.23
C[N@H+](CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300029306286	1	52	0.0	-78.06	413.40	6.07	-71.99
C[N@@H+](CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300029306286	1	52	0.0	-78.33	413.38	6.09	-72.24
C[NH+]1CCC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029306304	0	49	0.0	-80.89	378.99	3.95	-76.94
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029306381	0	46	0.0	-71.46	355.84	2.99	-68.47
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029306381	1	46	0.0	-73.64	361.33	3.50	-70.14
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029306407	1	48	0.0	-66.03	383.73	4.21	-61.82
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029306407	1	48	0.0	-66.20	386.81	4.64	-61.56
C[N@@H+]1CCCC1CCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029306417	0	52	0.0	-68.55	405.14	5.04	-63.51
C[N@H+]1CCCC1CCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029306417	1	52	0.0	-74.68	398.70	4.54	-70.14
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1	REAL300029306431	0	53	0.0	-75.39	387.22	4.27	-71.12
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3CCC4CCCC[N@@H+]43)C2)C1	REAL300029306439	0	53	0.0	-63.46	404.91	5.41	-58.05
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3CCC4CCCC[N@H+]43)C2)C1	REAL300029306439	1	53	0.0	-63.40	403.95	5.35	-58.05
CCC[N@@H+]1CCCC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029306545	0	55	0.0	-67.06	411.43	5.46	-61.60
CCC[N@H+]1CCCC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029306545	1	55	0.0	-71.49	417.55	5.31	-66.18
CC(C)[N@@H+]1CCOC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029306569	0	53	0.0	-87.85	407.17	4.03	-83.82
CC(C)[N@H+]1CCOC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029306569	1	53	0.0	-68.38	394.59	3.67	-64.71
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029306590	0	56	0.0	-74.27	410.49	3.11	-71.16
C[N@@H+]1CCCCC1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029306611	0	49	0.0	-72.40	378.56	4.07	-68.33
C[N@H+]1CCCCC1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029306611	1	49	0.0	-65.82	379.33	4.07	-61.75
CC(C)C[N@@H+]1CCCC1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029306646	0	55	0.0	-70.45	417.83	5.46	-64.99
CC(C)C[N@H+]1CCCC1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029306646	1	55	0.0	-73.31	409.56	5.87	-67.44
O=C(C[NH+]1CCC(CO)CC1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029306667	0	53	0.0	-75.18	410.54	1.66	-73.52
C[NH+]1C2CCC1CC(=CC(=O)N1CC3(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029306709	0	54	0.0	-71.78	409.52	5.45	-66.33
CC1C(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029306731	0	49	0.0	-73.43	374.99	3.61	-69.82
CC1C(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029306731	1	49	0.0	-69.84	379.46	4.11	-65.73
C[N@@H+]1CCCCC1CCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029306735	0	55	0.0	-76.87	410.69	5.23	-71.64
C[N@H+]1CCCCC1CCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029306735	1	55	0.0	-68.89	418.90	5.40	-63.49
NC1=[NH+]C2=C(C=C1C(=O)N1CC3(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C3)CCC2	REAL300029306780	1	49	0.0	-64.02	388.46	3.31	-60.71
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029306872	0	52	0.0	-74.11	399.14	4.25	-69.86
CC(C)(C)[N@H+]1CCC1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029306872	1	52	0.0	-65.35	399.95	4.24	-61.11
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3CCN(C4=CC=[NH+]C=C4)C3)C2)C1	REAL300029306892	0	52	0.0	-75.30	412.86	3.10	-72.20
C[C@@H](C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029306897	0	45	0.0	-70.85	354.14	2.89	-67.96
C[NH+](C)CC1=CC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)=CC=N1	REAL300029306919	1	51	0.0	-70.30	407.48	3.71	-66.59
C=CCC(C)(C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029306925	0	52	0.0	-74.97	383.73	4.63	-70.34
CC[NH+](CC)CCSCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029306959	0	55	0.0	-75.43	434.85	5.56	-69.87
NC1=C(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C=[NH+]C2=CC=CC=C21	REAL300029306960	1	48	0.0	-67.25	385.90	2.75	-64.50
O=C(CC[NH+]1CCCC1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029306965	0	49	0.0	-73.23	385.03	4.26	-68.97
C[N@H+](CCO)CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029306975	1	46	0.0	-76.96	365.84	-0.03	-76.99
C[N@@H+](CCO)CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029306975	1	46	0.0	-73.99	364.59	-0.05	-74.04
O=C(C1C[N@@H+]2CCN1CCC2)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029307021	0	52	0.0	-73.56	385.96	1.80	-71.76
O=C(C1C[N@H+]2CCN1CCC2)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029307021	1	52	0.0	-84.04	385.64	1.83	-82.21
CC(C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCSCC1	REAL300029307058	1	50	0.0	-73.98	395.40	4.44	-69.54
C[N@H+]1CC=C(CC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029307113	0	50	0.0	-74.05	395.87	4.82	-69.23
C[N@@H+]1CC=C(CC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029307113	1	50	0.0	-72.26	395.84	4.79	-67.47
C[S+](C)CCC(O)C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029307133	0	48	0.0	-84.42	399.46	2.00	-82.42
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029307161	0	50	0.0	-76.98	373.98	0.12	-76.86
C[N@H+]1CC(O)CC1(C)C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029307161	1	50	0.0	-81.87	377.07	0.18	-81.69
CN1CC[N@H+](C)CC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029307179	0	54	0.0	-70.53	412.04	2.48	-68.05
CN1CC[N@@H+](C)CC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029307179	1	54	0.0	-73.51	409.51	2.10	-71.41
CC(C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[N@@H+]1CCCC(O)C1	REAL300029307180	0	53	0.0	-73.70	407.09	1.36	-72.34
CC(C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[N@H+]1CCCC(O)C1	REAL300029307180	1	53	0.0	-74.02	408.66	1.41	-72.61
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029307217	0	49	0.0	-69.96	397.26	3.34	-66.62
C[N@@H+]1CCCC(O)(CC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029307225	0	53	0.0	-66.56	398.50	2.68	-63.88
C[N@H+]1CCCC(O)(CC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029307225	1	53	0.0	-71.98	394.45	2.81	-69.17
CC1C[NH+](CC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029307232	1	46	0.0	-72.41	368.00	3.60	-68.81
CC[N@@H+]1CCCC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029307240	0	52	0.0	-73.47	396.62	4.57	-68.90
CC[N@H+]1CCCC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029307240	1	52	0.0	-71.29	396.31	4.59	-66.70
NC1=[NH+]C=CC=C1CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029307254	0	45	0.0	-69.65	370.99	2.31	-67.34
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3CCC[N@@H+]3C3CC3)C2)C1	REAL300029307270	0	50	0.0	-63.16	388.84	4.47	-58.69
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3CCC[N@H+]3C3CC3)C2)C1	REAL300029307270	1	50	0.0	-66.01	384.71	4.21	-61.80
O=C(C=CC[NH+]1CCCC1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029307333	0	50	0.0	-78.59	397.18	4.76	-73.83
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3CC[NH+](C4CC4)CC3)C2)C1	REAL300029307365	0	53	0.0	-75.92	406.06	5.33	-70.59
CC[N@H+](C)CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029307423	0	45	0.0	-75.86	355.49	3.21	-72.65
O=C(CN1CC2C=CC1C2)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029307502	0	48	0.0	-66.67	377.20	4.46	-62.21
O=C(C[N@@H+]1CC2C=CC1C2)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029307502	1	48	0.0	-65.45	377.09	4.36	-61.09
O=C(C[N@H+]1CC2C=CC1C2)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029307502	1	48	0.0	-65.45	377.09	4.36	-61.09
CC1=CC=C(NCCC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)N=C1	REAL300029307527	0	51	0.0	-70.98	415.63	3.90	-67.08
CC1=CC=C(NCCC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)[NH+]=C1	REAL300029307527	1	51	0.0	-70.98	415.63	3.90	-67.08
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C34CCC[N@@H+]3CCCC4)C2)C1	REAL300029307672	0	53	0.0	-64.06	389.38	4.56	-59.50
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C34CCC[N@H+]3CCCC4)C2)C1	REAL300029307672	1	53	0.0	-64.06	389.38	4.56	-59.50
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C34CCC[N@@H+]3CC=CC4)C2)C1	REAL300029307684	0	51	0.0	-63.63	382.17	4.42	-59.21
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C34CCC[N@H+]3CC=CC4)C2)C1	REAL300029307684	1	51	0.0	-63.63	382.17	4.42	-59.21
CC(OCC[NH+](C)C)C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029307698	0	52	0.0	-71.52	410.17	4.12	-67.40
C[NH+](C)CCOCCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029307711	0	52	0.0	-72.09	413.52	3.32	-68.77
COCCN(C)CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029307713	0	49	0.0	-73.63	386.84	2.34	-71.29
COCC[N@H+](C)CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029307713	1	49	0.0	-75.39	387.08	2.32	-73.07
COCC[N@@H+](C)CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029307713	1	49	0.0	-75.39	387.08	2.32	-73.07
CC(CCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029307720	0	51	0.0	-72.38	393.99	4.27	-68.11
CC[N@H+](CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029307763	0	49	0.0	-69.40	382.76	4.54	-64.86
CC1C[N@@H+]2CCN1C(C(=O)N1CC3(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029307783	0	52	0.0	-73.90	387.87	1.37	-72.53
C[N@@H+]1CC2CC1(C(=O)N1CC3(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029307822	0	47	0.0	-69.22	366.30	3.62	-65.60
CC1=NC(N)=CC=C1C=CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029307834	0	49	0.0	-74.79	401.56	3.14	-71.65
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029307834	1	49	0.0	-74.79	401.56	3.14	-71.65
O=C(C[N@@H+]1CC2CCC1C2)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029307843	0	50	0.0	-66.11	382.29	4.41	-61.70
O=C(C[N@H+]1CC2CCC1C2)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029307843	1	50	0.0	-66.11	382.29	4.41	-61.70
CC(C)[NH+]1CCC(CC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029307861	0	58	0.0	-73.20	430.58	5.80	-67.40
CC(C[NH+](C)C)C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029307877	0	48	0.0	-73.58	372.46	3.56	-70.02
C[NH+](C)C1(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029307898	0	46	0.0	-82.86	361.85	3.44	-79.42
C[C@H](C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029307931	0	45	0.0	-70.81	354.95	2.90	-67.91
CC[N@@H+]1CCC1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029307945	1	46	0.0	-73.83	368.35	3.50	-70.33
CC[N@H+]1CCC1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029307945	1	46	0.0	-69.98	360.40	3.13	-66.85
CC(C)[N@@H+]1CCCC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029307963	0	55	0.0	-67.01	414.47	5.07	-61.94
CC(C)[N@H+]1CCCC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029307963	1	55	0.0	-68.03	407.01	5.27	-62.76
CCC(C)(C)[NH2+]C(C)C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029307991	0	54	0.0	-68.81	399.42	2.90	-65.91
C#CC[N@H+]1CCCCC1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029308051	1	51	0.0	-65.77	391.66	4.84	-60.93
C#CC[N@@H+]1CCCCC1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029308051	1	51	0.0	-70.48	392.20	4.88	-65.60
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029308055	1	48	0.0	-62.36	385.86	3.17	-59.19
NC1=CC=[NH+]C=C1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029308056	0	42	0.0	-68.74	346.57	0.58	-68.16
C[NH+](C)C(CC1=CC=CC=C1)C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029308062	0	55	0.0	-80.30	422.74	6.34	-73.96
CCCC(C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029308069	0	51	0.0	-72.13	390.86	4.40	-67.73
C[NH+](C)C(C)(C)C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029308077	0	48	0.0	-73.60	355.42	3.45	-70.15
CC(CC[NH+](C)C)C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029308104	0	51	0.0	-73.70	394.07	4.20	-69.50
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2)C1	REAL300029308173	0	56	0.0	-72.53	404.43	5.07	-67.46
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2)C1	REAL300029308173	1	56	0.0	-65.97	408.68	5.75	-60.22
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)C2)C1	REAL300029308214	0	51	0.0	-69.02	390.54	4.66	-64.36
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C34CC(C3)C[N@H+]4C3CC3)C2)C1	REAL300029308214	1	51	0.0	-70.93	384.93	5.81	-65.12
COCCCC[N@H+](C)CCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029308266	0	58	0.0	-80.54	453.48	4.29	-76.25
COCCCC[N@@H+](C)CCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029308266	1	58	0.0	-80.48	453.52	4.32	-76.16
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029308278	0	52	0.0	-72.14	402.37	4.60	-67.54
C[N@H+]1CC(C)(C)CC1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029308278	1	52	0.0	-69.19	399.55	4.62	-64.57
C[NH+](C)CCCCCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029308284	0	54	0.0	-73.88	423.57	5.45	-68.43
O=C(CC[NH+]1CCC(O)CC1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029308290	0	53	0.0	-78.59	411.84	1.57	-77.02
CCC[N@@H+]1CCCCC1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029308296	0	55	0.0	-65.72	407.52	5.07	-60.65
CCC[N@H+]1CCCCC1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029308296	1	55	0.0	-71.77	418.82	5.49	-66.28
CC[NH+]1CCN(CCC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029308307	0	57	0.0	-75.85	435.36	3.16	-72.69
CCN1CC[NH+](CCC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029308307	1	57	0.0	-74.48	435.31	3.19	-71.29
C[NH+]1CCN(CC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029308311	1	51	0.0	-72.70	395.72	2.00	-70.70
CC(C)C[NH+]1CCC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029308454	0	58	0.0	-78.25	433.39	6.02	-72.23
CC1C[N@H+](C)CC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029308457	1	50	0.0	-85.13	386.75	3.41	-81.72
CC1C[N@@H+](C)CC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029308457	1	50	0.0	-72.76	387.21	3.40	-69.36
CCC1CCC[N@H+](CC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029308499	0	55	0.0	-68.54	418.90	5.61	-62.93
CCC1CCC[N@@H+](CC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029308499	1	55	0.0	-68.58	418.91	5.60	-62.98
C[NH+](C)CC1=CC=C(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300029308510	0	50	0.0	-80.24	399.00	3.93	-76.31
O=C(C[NH+]1CC2CC2C1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029308535	0	47	0.0	-72.19	372.17	4.40	-67.79
O=C(CC1([NH+]2CCCC2)CC1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029308558	0	53	0.0	-69.20	401.82	5.27	-63.93
CC([NH2+]C1(CO)CCCC1)C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029308581	0	56	0.0	-70.90	412.15	0.22	-70.68
C[N@@H+]1CCCCC1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029308618	0	49	0.0	-72.40	378.56	4.07	-68.33
C[N@H+]1CCCCC1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029308618	1	49	0.0	-65.82	379.33	4.07	-61.75
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3CC[N@@H+]3CC3=CC=CC=C3)C2)C1	REAL300029308626	1	53	0.0	-74.28	418.05	5.96	-68.32
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3CC[N@H+]3CC3=CC=CC=C3)C2)C1	REAL300029308626	1	53	0.0	-75.39	428.24	6.51	-68.88
CC(C)C[N@@H+]1CCCC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029308633	0	58	0.0	-68.40	430.46	6.05	-62.35
CC(C)C[N@H+]1CCCC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029308633	1	58	0.0	-71.03	434.98	5.99	-65.04
C[NH+](C)C1CCN(CC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029308708	0	57	0.0	-71.07	431.25	3.19	-67.88
C[N@@H+]1CCC(=CC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029308790	0	47	0.0	-73.25	376.62	4.04	-69.21
C[N@H+]1CCC(=CC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029308790	1	47	0.0	-78.68	374.50	4.06	-74.62
O=C(CNC1=CC=[NH+]C=C1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029308798	0	45	0.0	-71.95	372.42	1.79	-70.16
CC[NH+]1CCN(CC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029308871	0	54	0.0	-71.53	412.95	2.64	-68.89
O=C(C=C1C[NH+]2CCC1CC2)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029308874	0	51	0.0	-71.28	393.90	4.92	-66.36
C[NH+](C)C1(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300029308930	0	52	0.0	-78.12	378.21	4.19	-73.93
C[N@H+](CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300029308947	0	53	0.0	-72.68	408.81	1.75	-70.93
C[N@@H+](CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300029308947	1	53	0.0	-73.84	408.43	1.92	-71.92
CCC1C[NH+](CC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029308955	1	49	0.0	-73.30	389.37	4.37	-68.93
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3C[NH+](C4CCOCC4)C3)C2)C1	REAL300029308959	0	54	0.0	-79.07	420.25	3.48	-75.59
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3([NH+]4CCCC4)CCC3)C2)C1	REAL300029308962	0	53	0.0	-79.90	390.52	4.89	-75.01
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029308979	0	46	0.0	-66.12	361.10	3.41	-62.71
C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029308979	1	46	0.0	-71.26	355.68	3.02	-68.24
CC[N@@H+]1CCOCC1CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029309021	0	53	0.0	-74.51	400.18	2.82	-71.69
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC(=O)NC4=C3CCC[NH2+]4)C2)C1	REAL300029309030	0	50	0.0	-90.69	404.42	1.96	-88.73
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3C[NH+](C4CCCCC4)C3)C2)C1	REAL300029309050	0	56	0.0	-73.72	428.21	5.83	-67.89
COC1C[N@@H+]2CCCC2(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029309072	0	54	0.0	-69.00	410.59	2.97	-66.03
COC1C[N@H+]2CCCC2(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029309072	1	54	0.0	-69.00	410.59	2.97	-66.03
NC1=NC2=CC(C(=O)N3CC4(C3)CCN(C(=O)C3=CC(=O)[N-]O3)C4)=CC=C2N1	REAL300029309149	0	46	0.0	-72.85	376.65	3.32	-69.53
NC1=[NH+]C2=CC(C(=O)N3CC4(C3)CCN(C(=O)C3=CC(=O)[N-]O3)C4)=CC=C2N1	REAL300029309149	1	46	0.0	-72.85	376.65	3.32	-69.53
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029309205	0	49	0.0	-79.73	387.33	4.25	-75.48
C[NH+](C)CCC1(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300029309218	0	58	0.0	-88.62	432.44	5.71	-82.91
CC1CCCC(C)[NH+]1CCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029309220	0	58	0.0	-70.42	427.30	5.63	-64.79
C[NH+](C)C1CCC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029309223	0	55	0.0	-80.96	413.19	5.11	-75.85
C[NH+](C)CCC1(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029309224	0	52	0.0	-82.26	412.95	5.04	-77.22
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029309229	0	55	0.0	-68.70	407.44	4.97	-63.73
C[N@@H+]1CC=CCC1CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029309230	0	50	0.0	-75.27	387.93	4.58	-70.69
C[N@H+]1CC=CCC1CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029309230	1	50	0.0	-64.04	384.18	4.51	-59.53
CC1=CC(C=CC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)=C[NH+]=C1N	REAL300029309303	1	49	0.0	-77.85	401.76	3.45	-74.40
C[NH+](C)CCOCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029309320	0	49	0.0	-74.06	392.62	3.59	-70.47
CCCCC[N@H+](C)CCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029309327	0	57	0.0	-77.69	441.31	6.00	-71.69
CCCCC[N@@H+](C)CCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029309327	1	57	0.0	-77.52	441.34	6.03	-71.49
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029309342	0	53	0.0	-70.84	416.34	4.49	-66.35
[NH2+]=C1SC=CN1CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029309377	0	42	0.0	-72.39	364.82	2.72	-69.67
C[C@@H](OCC[NH+](C)C)C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029309480	0	52	0.0	-71.04	407.79	4.15	-66.89
O=C(CC[NH+]1CCCCCC1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029309563	0	55	0.0	-77.58	410.71	5.08	-72.50
O=C(C[NH+]1CCCCC1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029309568	0	49	0.0	-75.80	379.50	4.41	-71.39
C[N@@H+]1CCCC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029309570	0	49	0.0	-76.04	381.62	4.04	-72.00
C[N@H+]1CCCC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029309570	1	49	0.0	-74.96	373.09	3.97	-70.99
O=C(C[NH+]1CCC(CO)CC1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029309572	0	53	0.0	-75.18	410.54	1.66	-73.52
O=C(C[NH+]1CCCCCC1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029309578	0	52	0.0	-75.28	388.72	4.58	-70.70
CN1C=C[N+](CC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029309585	0	44	0.0	-70.31	367.93	6.03	-64.28
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029309606	0	58	0.0	-78.55	422.06	5.21	-73.34
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029309606	1	58	0.0	-75.12	420.15	5.20	-69.92
C[NH+](C)CC1=CC=C(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029309612	1	49	0.0	-72.22	399.43	4.15	-68.07
C[NH+](C)CC1=CC=C(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C=N1	REAL300029309621	0	51	0.0	-73.97	407.21	4.08	-69.89
O=C(C[NH+]1CCC(O)CC1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029309642	1	50	0.0	-77.72	389.52	0.97	-76.75
C[N@H+](CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029309649	0	46	0.0	-69.51	365.99	3.93	-65.58
C[N@@H+](CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029309649	1	46	0.0	-71.67	366.13	3.88	-67.79
CC(C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)N1CC[NH+](C)CC1	REAL300029309651	1	54	0.0	-71.51	403.36	2.08	-69.43
O=C(CC[N@H+]1CCC(F)C1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029309657	0	49	0.0	-75.38	392.02	4.26	-71.12
O=C(CC[N@@H+]1CCC(F)C1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029309657	1	49	0.0	-79.84	391.41	4.31	-75.53
COC1C[N@H+](C)C(C)(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029309674	0	53	0.0	-70.94	393.77	2.43	-68.51
COC1C[N@@H+](C)C(C)(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029309674	1	53	0.0	-69.38	404.42	2.60	-66.78
C[NH+](C)CCC1=CC=CC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029309696	0	55	0.0	-74.35	433.95	6.37	-67.98
CC(CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300029309702	0	51	0.0	-74.16	393.72	4.54	-69.62
O=C(C1CC[N@@H+]2CCOCC12)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029309725	0	51	0.0	-74.49	391.90	2.80	-71.69
O=C(C1CC[N@H+]2CCOCC12)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029309725	1	51	0.0	-80.05	394.82	2.74	-77.31
CC1=[NH+]C=C2C=CC(C(=O)N3CC4(C3)CCN(C(=O)C3=CC(=O)[N-]O3)C4)=CN21	REAL300029309734	0	47	0.0	-73.93	384.70	5.33	-68.60
C[N@@H+]1CCOCC1CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029309758	1	50	0.0	-78.21	387.36	2.32	-75.89
C[N@H+]1CCOCC1CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029309758	1	50	0.0	-74.28	388.55	2.30	-71.98
C[NH+](C)CC(C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300029309768	0	55	0.0	-69.83	433.87	6.43	-63.40
CC[NH+]1CCN(CC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029309774	0	54	0.0	-71.53	412.95	2.64	-68.89
CC1=CC(N)=[NH+]C=C1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029309848	1	45	0.0	-72.80	364.14	1.78	-71.02
NC1=CC=C(CCC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C=[NH+]1	REAL300029309851	0	48	0.0	-71.13	395.72	3.03	-68.10
CC1(O)CC[N@H+](CC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029309919	0	50	0.0	-72.22	392.66	0.91	-71.31
CC1(O)CC[N@@H+](CC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029309919	1	50	0.0	-72.60	392.64	0.87	-71.73
C[NH+](C)CCN1N=CC=C1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029309930	0	52	0.0	-70.74	411.72	3.69	-67.05
C[NH+]1CC(CC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029309970	0	46	0.0	-73.50	367.99	3.35	-70.15
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3CC[N@@H+]3C3CCCC3)C2)C1	REAL300029309976	0	53	0.0	-75.05	402.90	4.99	-70.06
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3CC[N@H+]3C3CCCC3)C2)C1	REAL300029309976	1	53	0.0	-74.52	407.34	5.31	-69.21
C[NH+](C)CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029309986	0	42	0.0	-72.88	336.71	2.52	-70.36
C[N@H+](CCO)CCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029310033	0	49	0.0	-75.31	387.20	0.50	-74.81
C[N@@H+](CCO)CCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029310033	1	49	0.0	-75.68	387.15	0.44	-75.24
C[C@@H](C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029310034	0	45	0.0	-70.85	354.14	2.89	-67.96
C[N@@H+]1CCCCC1CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029310062	0	52	0.0	-65.97	388.47	4.57	-61.40
C[N@H+]1CCCCC1CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029310062	1	52	0.0	-79.51	397.04	4.72	-74.79
CC1=C2C=C(C(=O)N3CC4(C3)CCN(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300029310096	1	47	0.0	-71.13	385.98	6.13	-65.00
CC(C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CC(C)C1	REAL300029310097	0	49	0.0	-72.51	386.71	4.15	-68.36
CC1CC[N@@H+]1CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029310103	1	46	0.0	-66.75	363.64	3.31	-63.44
CC1CC[N@H+]1CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029310103	1	46	0.0	-67.42	369.26	3.63	-63.79
C[NH+](C)CC=CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029310124	0	46	0.0	-76.33	372.42	3.72	-72.61
CC1(C)C[NH+](CC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029310140	1	49	0.0	-72.39	387.31	4.13	-68.26
O=C(CCCC[NH+]1CCCCC1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029310154	0	58	0.0	-76.28	443.29	6.48	-69.80
CC1=C(C)[NH+]=C(CCC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300029310169	1	50	0.0	-69.93	406.99	3.78	-66.15
C[NH+]1CCC(C2(C(=O)N3CC4(C3)CCN(C(=O)C3=CC(=O)[N-]O3)C4)CC2)CC1	REAL300029310183	0	56	0.0	-73.36	425.83	5.55	-67.81
CC1=C2C=C(C(=O)N3CC4(C3)CCN(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300029310193	1	47	0.0	-71.13	385.98	6.13	-65.00
C[NH+](C)CCSCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029310206	0	49	0.0	-80.81	403.65	4.42	-76.39
CC(C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[N@H+](C)CC1=CC=CC=C1	REAL300029310227	0	55	0.0	-76.60	431.51	6.48	-70.12
CC(C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[N@@H+](C)CC1=CC=CC=C1	REAL300029310227	1	55	0.0	-74.45	431.25	6.44	-68.01
NC1=[NH+]C2=C(C=C1C(=O)N1CC3(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C3)CCCC2	REAL300029310231	1	52	0.0	-64.15	405.62	3.90	-60.25
O=C(C[N@H+]1CCCC1CO)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029310239	0	50	0.0	-70.66	386.11	0.56	-70.10
O=C(C[N@@H+]1CCCC1CO)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029310239	1	50	0.0	-73.16	389.93	1.07	-72.09
CC[NH+](CC)CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029310242	0	48	0.0	-70.60	368.30	3.58	-67.02
C[N@H+](CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300029310255	0	50	0.0	-77.83	396.19	4.75	-73.08
C[N@@H+](CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300029310255	1	50	0.0	-79.17	396.03	4.73	-74.44
O=C(C[NH+]1CCC1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029310257	1	43	0.0	-72.53	347.00	2.99	-69.54
CC[NH+](CC)CCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029310323	0	51	0.0	-72.82	394.65	4.45	-68.37
NC(=O)C1CC[NH+](CC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029310349	0	53	0.0	-87.69	414.74	1.00	-86.69
C[NH+](C)CC1=CNC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029310408	0	50	0.0	-77.88	398.56	3.75	-74.13
CC(C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC(O)CC1	REAL300029310434	0	53	0.0	-73.75	407.16	1.39	-72.36
O=C(C1CC2COCC[N@@H+]2C1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029310442	0	51	0.0	-75.43	393.32	2.75	-72.68
O=C(C1CC2COCC[N@H+]2C1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029310442	1	51	0.0	-73.09	392.24	2.73	-70.36
CC(C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300029310464	1	46	0.0	-70.86	358.77	3.17	-67.69
CCC(CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300029310476	0	54	0.0	-68.54	411.94	5.14	-63.40
NC1=CC=C(C=CC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C=[NH+]1	REAL300029310485	0	46	0.0	-77.34	384.04	2.71	-74.63
C[NH+](C)CC(C)(C)C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029310486	0	51	0.0	-75.46	380.12	3.75	-71.71
C[NH+](C)C(CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300029310531	0	55	0.0	-67.73	424.79	6.39	-61.34
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029310569	0	49	0.0	-66.89	368.20	3.69	-63.20
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029310569	1	49	0.0	-74.14	379.52	4.11	-70.03
CC1CN2CC[N@@H+]1CC2C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029310586	0	52	0.0	-86.30	388.98	1.35	-84.95
CC1CN2CC[N@H+]1CC2C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029310586	1	52	0.0	-76.64	386.10	1.29	-75.35
C[NH+](C)CC(O)CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029310619	0	49	0.0	-80.02	389.36	1.57	-78.45
C[NH+]1C2CCC1CC(C(=O)N1CC3(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029310622	0	53	0.0	-76.61	374.04	4.68	-71.93
C=CCC(C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029310676	0	49	0.0	-71.95	383.33	4.14	-67.81
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3CC4CCCC[N@@H+]4C3)C2)C1	REAL300029310691	0	53	0.0	-72.46	403.67	5.18	-67.28
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3CC4CCCC[N@H+]4C3)C2)C1	REAL300029310691	1	53	0.0	-66.43	402.91	5.15	-61.28
C[NH+]1CCC(C)(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029310708	0	52	0.0	-69.01	388.53	4.14	-64.87
C[NH+]1CCC(O)(CC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029310714	0	53	0.0	-74.45	407.26	2.87	-71.58
COCC[N@@H+]1CCCC1CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029310730	0	56	0.0	-72.61	425.58	3.86	-68.75
COCC[N@H+]1CCCC1CC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029310730	1	56	0.0	-74.65	436.09	3.99	-70.66
C[NH+]1C2CCC1CC(CC(=O)N1CC3(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029310745	0	56	0.0	-73.74	402.38	4.98	-68.76
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029310790	0	52	0.0	-69.86	412.61	3.68	-66.18
C[NH+]1CCC(C2(C(=O)N3CCC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)CC2)CC1	REAL300029310839	0	56	0.0	-78.59	423.39	5.67	-72.92
CC1=C2C=C(C(=O)N3CCC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C=CN2C=[NH+]1	REAL300029310851	1	47	0.0	-75.12	394.83	6.49	-68.63
C[NH+](C)CCSCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029310863	0	49	0.0	-76.35	405.86	4.50	-71.85
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1CC3COCC[N@@H+]3C1)C2	REAL300029310875	0	51	0.0	-75.64	394.05	2.69	-72.95
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1CC3COCC[N@H+]3C1)C2	REAL300029310875	1	51	0.0	-73.83	393.37	2.71	-71.12
C[N@@H+]1CCCC1C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029311039	0	47	0.0	-61.68	372.23	1.12	-60.56
C[N@H+]1CCCC1C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029311039	1	47	0.0	-61.17	372.65	1.26	-59.91
C[N@@H+]1CCOC(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029311063	1	48	0.0	-71.80	383.66	0.63	-71.17
C[N@H+]1CCOC(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029311063	1	48	0.0	-67.97	375.91	0.50	-67.47
CC(C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCCC1	REAL300029311224	0	56	0.0	-60.75	412.99	2.83	-57.92
CC(C)[N@@H+]1CCCCC1C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029311226	0	56	0.0	-56.54	419.06	2.71	-53.83
CC(C)[N@H+]1CCCCC1C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029311226	1	56	0.0	-59.52	413.33	2.77	-56.75
CC(C)[N@@H+]1CCCC1C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029311247	0	53	0.0	-59.04	404.78	2.32	-56.72
CC(C)[N@H+]1CCCC1C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029311247	1	53	0.0	-59.43	405.23	2.28	-57.15
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@@H+]2C1	REAL300029311263	0	54	0.0	-62.61	414.40	2.86	-59.75
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@H+]2C1	REAL300029311263	1	54	0.0	-64.64	413.58	2.84	-61.80
CC(C)C1=[NH+]C=CN1CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029311284	1	51	0.0	-60.00	411.92	2.89	-57.11
CC1=[NH+]C=CN1CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029311314	1	45	0.0	-61.19	376.09	1.76	-59.43
CC(C[NH+]1CCOCC1)C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029311315	0	54	0.0	-66.21	417.65	0.92	-65.29
O=C(CCC[NH+]1CCCCC1)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029311331	0	56	0.0	-65.54	431.21	3.36	-62.18
CC(C)(C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCC1	REAL300029311349	0	56	0.0	-58.61	415.63	3.16	-55.45
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1C[NH+]2CCC1CC2	REAL300029311357	0	51	0.0	-68.82	387.63	2.01	-66.81
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCC2CCC[N@@H+]21	REAL300029311398	0	54	0.0	-60.44	402.69	2.74	-57.70
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCC2CCC[N@H+]21	REAL300029311398	1	54	0.0	-56.80	409.92	3.04	-53.76
C[C@@H]1[C@H](C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029311412	0	50	0.0	-62.47	383.12	1.41	-61.06
C[C@@H]1[C@H](C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029311412	1	50	0.0	-67.02	389.50	1.44	-65.58
CC[C@@H]1[C@@H](C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029311416	0	53	0.0	-63.44	403.33	1.90	-61.54
CC[C@@H]1[C@@H](C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029311416	1	53	0.0	-61.43	407.23	2.42	-59.01
CC[N@@H+]1CCOC(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029311426	1	51	0.0	-69.79	401.31	1.30	-68.49
CC[N@H+]1CCOC(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029311426	1	51	0.0	-70.06	401.53	1.31	-68.75
CC[NH+](CC)CC(F)C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029311467	0	52	0.0	-61.94	405.44	1.88	-60.06
CC1CCC(C)[NH+]1CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029311530	0	53	0.0	-59.24	403.20	2.03	-57.21
O=C(CCC[NH+]1CCCC1)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029311536	0	53	0.0	-65.59	416.00	2.69	-62.90
C#CC[NH+]1CCC(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029311541	0	52	0.0	-68.43	415.40	2.97	-65.46
O=C(CC[NH+]1CCCCC1)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029311542	0	53	0.0	-64.43	409.71	2.55	-61.88
CC[N@@H+]1CCCCC1C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029311548	0	53	0.0	-59.98	396.51	2.29	-57.69
CC[N@H+]1CCCCC1C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029311548	1	53	0.0	-60.35	405.64	2.43	-57.92
CC(C)C[N@@H+]1CCC(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029311562	0	56	0.0	-62.87	430.86	3.17	-59.70
CC(C)C[N@H+]1CCC(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029311562	1	56	0.0	-61.88	430.07	3.17	-58.71
C[NH+](C)C1(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)CCC1	REAL300029311566	0	50	0.0	-60.60	383.61	1.50	-59.10
CC(C)[N@@H+]1CCCC1CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029311568	0	56	0.0	-56.71	417.55	2.31	-54.40
CC(C)[N@H+]1CCCC1CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029311568	1	56	0.0	-62.39	425.56	2.82	-59.57
CC(C)[C@@H](C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029311581	0	52	0.0	-61.05	395.46	2.39	-58.66
C[N@H+](CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300029311622	0	50	0.0	-62.00	392.88	2.13	-59.87
C[N@@H+](CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300029311622	1	50	0.0	-61.51	392.29	2.13	-59.38
CC(C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1C(C)CCC1C	REAL300029311681	0	56	0.0	-59.24	408.19	2.08	-57.16
C[N@@H+]1CCCC1CCC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029311746	0	53	0.0	-67.13	414.27	2.65	-64.48
C[N@H+]1CCCC1CCC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029311746	1	53	0.0	-65.78	408.38	2.19	-63.59
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[NH+](CCC1)C2	REAL300029311755	0	54	0.0	-66.54	403.67	2.38	-64.16
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC2CCCC[N@@H+]21	REAL300029311758	0	54	0.0	-58.11	406.36	2.69	-55.42
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC2CCCC[N@H+]21	REAL300029311758	1	54	0.0	-59.25	414.33	3.11	-56.14
O=C(CCCC[NH+]1CCCC1)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029311774	0	56	0.0	-66.36	437.50	3.47	-62.89
C[NH+]1CCC(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029311785	0	50	0.0	-67.94	390.78	1.82	-66.12
C[NH+](C)CC1=CC(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)=NO1	REAL300029311820	1	49	0.0	-76.25	404.37	1.17	-75.08
CC1=C(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C=CC2=C[NH+]=CN21	REAL300029311821	0	48	0.0	-68.30	398.69	3.94	-64.36
C[N@@H+]1CCCCC1C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029311852	0	50	0.0	-62.32	388.22	1.80	-60.52
C[N@H+]1CCCCC1C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029311852	1	50	0.0	-63.26	379.03	1.62	-61.64
CC(C)C[N@@H+]1CCCC1C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029311874	0	56	0.0	-62.48	427.90	3.49	-58.99
CC(C)C[N@H+]1CCCC1C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029311874	1	56	0.0	-63.34	428.24	3.53	-59.81
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN2C=[NH+]C=C2C=C1	REAL300029311974	0	45	0.0	-66.41	376.33	3.65	-62.76
CC1=[NH+]C=CN1CCCC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029311982	1	51	0.0	-63.61	417.14	3.07	-60.54
O=C(CC[NH+]1CCOCC1)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029311987	1	51	0.0	-67.29	401.43	0.15	-67.14
CC1=C[NH+]=CN1CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029312017	1	45	0.0	-62.92	374.88	2.46	-60.46
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[NH+]1CCC2	REAL300029312056	0	51	0.0	-57.91	390.77	2.19	-55.72
C[NH+](C)C1CCCC(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029312080	0	56	0.0	-65.73	425.11	3.01	-62.72
C[N@@H+]1CCC(CC(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029312083	0	50	0.0	-68.01	392.61	1.79	-66.22
C[N@H+]1CCC(CC(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029312083	1	50	0.0	-66.73	392.43	1.81	-64.92
CN(C)C1=CC=[NH+]C=C1C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029312095	0	49	0.0	-66.16	396.89	0.97	-65.19
CCC(C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029312100	0	49	0.0	-63.18	378.78	1.31	-61.87
C[NH+](C)C1(CC(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300029312112	0	56	0.0	-65.54	410.10	2.64	-62.90
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC2=C[NH+]=CN2C=C1	REAL300029312153	1	45	0.0	-68.73	376.85	3.68	-65.05
C[NH+](C)CCCCC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029312207	0	52	0.0	-68.16	411.70	2.32	-65.84
CC(C)C(C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029312227	0	52	0.0	-60.23	390.38	1.70	-58.53
CCC[N@H+](C)CCC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029312229	0	52	0.0	-65.50	407.76	2.11	-63.39
CCC[N@@H+](C)CCC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029312229	1	52	0.0	-65.66	407.76	2.10	-63.56
CCC[N@H+](C)CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029312234	0	49	0.0	-64.04	385.89	1.55	-62.49
CCC[N@@H+](C)CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029312234	1	49	0.0	-63.49	385.40	1.57	-61.92
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C12CC[N@H+](C1)CCC2	REAL300029312257	0	51	0.0	-68.74	388.36	1.41	-67.33
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C12CC[N@@H+](C1)CCC2	REAL300029312257	1	51	0.0	-63.70	388.20	1.42	-62.28
C[N@@H+]1CCC[C@@H]1C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029312293	0	47	0.0	-60.59	366.16	0.75	-59.84
C[N@H+]1CCC[C@@H]1C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029312293	1	47	0.0	-61.09	372.71	1.24	-59.85
CCCCCC[N@H+](C)CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029312350	0	58	0.0	-65.16	450.38	3.89	-61.27
CCCCCC[N@@H+](C)CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029312350	1	58	0.0	-64.53	449.89	3.92	-60.61
CC[NH+](CC)C(C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C(C)C	REAL300029312354	0	58	0.0	-58.33	428.16	3.39	-54.94
CC[NH+](CC)CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029312363	0	49	0.0	-61.78	382.44	1.55	-60.23
CCC[N@@H+]1CCCC(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029312395	0	56	0.0	-59.41	424.20	3.34	-56.07
CCC[N@H+]1CCCC(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029312395	1	56	0.0	-63.28	429.29	3.24	-60.04
CC(C)[N@@H+]1CCOC(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029312410	0	54	0.0	-65.93	411.40	1.63	-64.30
CC(C)[N@H+]1CCOC(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029312410	1	54	0.0	-63.36	417.76	1.83	-61.53
CC1CC[NH+](CC(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029312439	0	53	0.0	-63.16	409.12	2.65	-60.51
C[NH+]1CCC(OCC(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029312465	0	54	0.0	-71.56	426.12	2.25	-69.31
C[NH+](C)CC1(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029312476	0	50	0.0	-57.86	396.83	1.91	-55.95
CC(C)[NH+]1CCC(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029312549	0	56	0.0	-65.36	421.45	2.77	-62.59
C[NH+]1CCC(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029312567	0	50	0.0	-67.94	390.78	1.82	-66.12
CC(C)[C@H](C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029312585	0	52	0.0	-63.88	395.32	2.48	-61.40
CCC(C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](CC)CC	REAL300029312616	0	55	0.0	-58.99	412.30	2.45	-56.54
CC[N@H+](C)CCC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029312672	0	49	0.0	-64.94	386.26	1.37	-63.57
CC[N@@H+](C)CCC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029312672	1	49	0.0	-65.12	386.26	1.37	-63.75
CC1CCC[N@@H+]1CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029312728	0	50	0.0	-60.20	391.89	1.85	-58.35
CC1CCC[N@H+]1CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029312728	1	50	0.0	-72.38	390.83	2.00	-70.38
CC1CC[N@H+](CC(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029312730	0	50	0.0	-74.43	391.54	1.97	-72.46
CC1CC[N@@H+](CC(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029312730	1	50	0.0	-62.67	391.66	1.93	-60.74
CC1(C)CC[N@H+](CC(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029312734	0	53	0.0	-62.82	411.39	2.44	-60.38
CC1(C)CC[N@@H+](CC(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029312734	1	53	0.0	-62.39	411.16	2.42	-59.97
C[N@H+](CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300029312735	0	55	0.0	-62.98	416.30	2.72	-60.26
C[N@@H+](CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300029312735	1	55	0.0	-62.49	416.30	2.73	-59.76
CC[C@@H](C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029312743	0	49	0.0	-60.71	376.92	1.21	-59.50
C[NH+]1CCC(O)(CC(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029312900	0	54	0.0	-66.59	413.80	0.56	-66.03
C[NH+](C)CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029312912	0	43	0.0	-64.55	346.35	0.18	-64.37
O=C(C[NH+]1CCC(CO)CC1)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029312916	1	54	0.0	-66.29	419.57	-0.67	-66.96
O=C(C[NH+]1CCCCCC1)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029312917	0	53	0.0	-63.31	397.12	2.21	-61.10
CN1C=C[N+](CC(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029312921	0	45	0.0	-62.69	377.40	3.67	-59.02
C[N@@H+]1CCCC(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029312928	0	50	0.0	-60.04	384.90	2.00	-58.04
C[N@H+]1CCCC(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029312928	1	50	0.0	-59.34	384.11	2.04	-57.30
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@@H+]1C1CC1	REAL300029312933	0	51	0.0	-57.55	398.24	2.17	-55.38
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@H+]1C1CC1	REAL300029312933	1	51	0.0	-61.64	394.08	2.22	-59.42
CC(C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300029312960	1	47	0.0	-62.55	376.26	1.14	-61.41
CCC(CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300029312965	0	55	0.0	-62.29	421.58	2.80	-59.49
C[NH+](C)CC(C)(C)C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029312972	0	52	0.0	-65.08	396.18	1.93	-63.15
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C12CC(C1)C[N@@H+]2C1CC1	REAL300029312989	0	52	0.0	-58.11	398.67	2.69	-55.42
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C12CC(C1)C[N@H+]2C1CC1	REAL300029312989	1	52	0.0	-63.86	401.62	3.65	-60.21
O=C(C[NH+]1CCC(O)CC1)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029312997	1	51	0.0	-66.73	399.38	-1.32	-68.05
C[N@H+](CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029312998	0	47	0.0	-61.59	375.57	1.56	-60.03
C[N@@H+](CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029312998	1	47	0.0	-60.86	375.44	1.56	-59.30
CC(C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)N1CC[NH+](C)CC1	REAL300029312999	1	55	0.0	-66.94	419.70	0.00	-66.94
C[NH+]1CC(CC(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029313017	0	47	0.0	-67.24	378.10	0.97	-66.27
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@@H+]1C1CCCC1	REAL300029313021	0	54	0.0	-61.62	411.95	2.70	-58.92
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@H+]1C1CCCC1	REAL300029313021	1	54	0.0	-63.01	417.23	2.97	-60.04
CC(C)(C)[N@@H+]1CCC1C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313029	0	53	0.0	-61.91	390.26	1.77	-60.14
CC(C)(C)[N@H+]1CCC1C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313029	1	53	0.0	-59.27	391.69	1.36	-57.91
C[C@@H](C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029313040	0	46	0.0	-61.24	364.34	0.57	-60.67
CCC1CCC[N@H+](CC(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029313079	0	56	0.0	-62.97	420.18	3.27	-59.70
CCC1CCC[N@@H+](CC(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029313079	1	56	0.0	-63.31	427.42	3.28	-60.03
C[NH+](C)CC1=CC=C(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300029313086	0	51	0.0	-66.90	413.04	1.33	-65.57
[NH2+]=C1SC=CN1CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313127	0	43	0.0	-59.69	373.73	0.32	-59.37
C[N@H+](CCO)CCC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313137	0	50	0.0	-65.73	396.61	-1.85	-67.58
C[N@@H+](CCO)CCC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313137	1	50	0.0	-64.52	396.60	-1.87	-66.39
C[C@@H](C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029313138	0	46	0.0	-61.24	364.34	0.57	-60.67
C[N@@H+]1CCCC[C@@H]1C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313142	0	50	0.0	-64.03	376.24	1.77	-62.26
C[N@H+]1CCCC[C@@H]1C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313142	1	50	0.0	-61.84	387.82	1.79	-60.05
CC1CN2CC[N@@H+]1CC2C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313150	0	53	0.0	-60.78	398.94	-0.86	-61.64
CC1CN2CC[N@H+]1CC2C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313150	1	53	0.0	-62.37	397.59	-0.92	-63.29
O=C(CC1=CC2=C[NH+]=CN2C=C1)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313192	0	48	0.0	-66.84	400.57	4.34	-62.50
C[N@H+](CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300029313215	0	51	0.0	-68.12	406.15	2.37	-65.75
C[N@@H+](CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300029313215	1	51	0.0	-68.06	405.45	2.40	-65.66
C[N@@H+]1CCC(=CC(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029313246	0	48	0.0	-68.56	384.65	1.74	-66.82
C[N@H+]1CCC(=CC(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029313246	1	48	0.0	-69.19	384.65	1.74	-67.45
C[NH+](C)CCOCC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313279	0	50	0.0	-65.32	402.22	1.24	-64.08
CCCCC[N@H+](C)CCC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313285	0	58	0.0	-66.41	450.76	3.67	-62.74
CCCCC[N@@H+](C)CCC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313285	1	58	0.0	-66.60	450.76	3.68	-62.92
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029313294	0	54	0.0	-68.00	423.65	2.39	-65.61
C=CCC(C)(C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029313301	0	53	0.0	-64.05	400.88	2.41	-61.64
C[S+](C)CCC(O)C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313306	0	49	0.0	-68.30	411.02	-0.17	-68.47
CN1CC(O)CC1(C)C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313331	0	51	0.0	-59.56	391.62	-1.05	-60.61
C[N@@H+]1CC(O)CC1(C)C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313331	1	51	0.0	-67.42	393.99	-1.51	-68.93
C[N@H+]1CC(O)CC1(C)C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313331	1	51	0.0	-67.42	393.99	-1.51	-68.93
CN1CC[N@H+](C)CC(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029313341	0	55	0.0	-72.78	414.88	0.41	-72.37
CN1CC[N@@H+](C)CC(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029313341	1	55	0.0	-72.78	414.88	0.41	-72.37
CC(C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)N1CCCC(O)C1	REAL300029313342	0	54	0.0	-61.95	417.31	-0.94	-62.89
CC(C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)[N@@H+]1CCCC(O)C1	REAL300029313342	1	54	0.0	-60.14	417.26	-0.89	-61.03
CC(C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)[N@H+]1CCCC(O)C1	REAL300029313342	1	54	0.0	-60.14	417.26	-0.89	-61.03
O=C(CN1CCC(CO)CC1)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313351	0	54	0.0	-66.29	419.57	-0.67	-66.96
O=C(C[NH+]1CCC(CO)CC1)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313351	1	54	0.0	-66.29	419.57	-0.67	-66.96
C[N@@H+]1CCCC(O)(CC(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029313360	0	54	0.0	-65.09	403.58	0.47	-64.62
C[N@H+]1CCCC(O)(CC(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029313360	1	54	0.0	-65.09	403.58	0.47	-64.62
CC1CN(CC(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029313363	0	47	0.0	-63.26	376.26	1.31	-61.95
CC1C[NH+](CC(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029313363	1	47	0.0	-63.26	376.26	1.31	-61.95
CN(CCO)CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313389	0	47	0.0	-65.23	374.74	-2.43	-67.66
C[N@H+](CCO)CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313389	1	47	0.0	-63.75	374.03	-2.42	-66.17
C[N@@H+](CCO)CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313389	1	47	0.0	-63.75	374.03	-2.42	-66.17
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1C[N@@H+]2CCN1CCC2	REAL300029313411	0	53	0.0	-70.68	392.61	0.01	-70.67
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1C[N@H+]2CCN1CCC2	REAL300029313411	1	53	0.0	-70.68	392.61	0.01	-70.67
CC[N@@H+]1CCCC(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029313417	0	53	0.0	-63.59	408.48	2.46	-61.13
CC[N@H+]1CCCC(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029313417	1	53	0.0	-63.59	408.48	2.46	-61.13
CC(CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300029313419	0	52	0.0	-67.65	403.53	2.18	-65.47
CC[N@H+](C)CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313430	0	46	0.0	-63.10	363.90	0.83	-62.27
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[N@@H+]1CCCC2	REAL300029313454	0	54	0.0	-59.25	399.96	2.80	-56.45
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[N@H+]1CCCC2	REAL300029313454	1	54	0.0	-59.25	399.96	2.80	-56.45
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[N@@H+]1CC=CC2	REAL300029313459	0	52	0.0	-55.73	391.36	3.09	-52.64
CC[N@H+](CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029313479	0	50	0.0	-60.93	392.22	2.17	-58.76
CC[NH+](CC)CCC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313495	0	52	0.0	-64.65	399.94	1.81	-62.84
CC1(O)CCN(CC(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029313543	0	51	0.0	-63.23	402.78	-1.42	-64.65
CC1(O)CC[N@H+](CC(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029313543	1	51	0.0	-75.28	401.68	-1.38	-76.66
CC1(O)CC[N@@H+](CC(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029313543	1	51	0.0	-75.28	401.68	-1.38	-76.66
C[NH+](C)CC=CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313550	0	47	0.0	-69.87	383.57	1.45	-68.42
CC(OCC[NH+](C)C)C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313571	0	53	0.0	-66.31	421.82	1.89	-64.42
C[NH+](C)CCOCCC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313579	0	53	0.0	-66.98	423.17	0.98	-66.00
COCCN(C)CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313580	0	50	0.0	-63.86	396.28	-0.02	-63.88
COCC[N@H+](C)CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313580	1	50	0.0	-65.20	396.99	-0.02	-65.22
COCC[N@@H+](C)CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313580	1	50	0.0	-65.20	396.99	-0.02	-65.22
C[NH+](C)C1(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300029313613	0	53	0.0	-60.59	395.64	2.54	-58.05
CC(CCC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029313616	0	52	0.0	-67.73	399.98	1.91	-65.82
CCN1CCC1C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313623	0	47	0.0	-60.45	369.79	1.07	-59.38
CC[N@@H+]1CCC1C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313623	1	47	0.0	-62.65	378.15	1.19	-61.46
CC[N@H+]1CCC1C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313623	1	47	0.0	-62.65	378.15	1.19	-61.46
CC(C)[N@@H+]1CCCC(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029313633	0	56	0.0	-62.61	425.29	2.98	-59.63
CC(C)[N@H+]1CCCC(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029313633	1	56	0.0	-62.61	425.29	2.98	-59.63
O=C(C[N@H+]1CCCC1CO)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313646	0	51	0.0	-74.20	395.09	-1.72	-75.92
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@@H+]2C1	REAL300029313668	0	54	0.0	-64.64	413.58	2.84	-61.80
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@H+]2C1	REAL300029313668	1	54	0.0	-64.64	413.58	2.84	-61.80
C[NH+]1CCC(C)(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029313674	0	53	0.0	-59.77	403.44	2.29	-57.48
CC(C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)N1CCC(O)CC1	REAL300029313694	0	54	0.0	-64.60	417.04	-0.95	-65.55
CC(C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC(O)CC1	REAL300029313694	1	54	0.0	-64.60	417.04	-0.95	-65.55
C=CCC(C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029313702	0	50	0.0	-62.87	392.78	1.83	-61.04
C[N@@H+]1CC(C)(C)CC1C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313712	0	53	0.0	-60.17	412.11	2.19	-57.98
C[NH+](C)CCCCCC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313716	0	55	0.0	-68.64	433.20	3.10	-65.54
CC1C[N@@H+]2CCN1C(C(=O)NCC13CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029313750	0	53	0.0	-62.91	398.93	-0.74	-63.65
CCCC(C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029313751	0	52	0.0	-64.24	400.28	2.08	-62.16
C[NH+](C)C(C)(C)C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313755	0	49	0.0	-60.06	373.80	1.36	-58.70
C[N@@H+]1CCCCC1C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313793	0	50	0.0	-63.26	379.03	1.62	-61.64
C[N@H+]1CC=C(CC(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029313826	0	51	0.0	-65.94	405.42	2.52	-63.42
C[N@@H+]1CC=C(CC(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029313826	1	51	0.0	-65.94	405.42	2.52	-63.42
O=C(CC1([NH+]2CCCC2)CC1)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313835	0	54	0.0	-61.51	410.15	2.81	-58.70
C[NH+](C)CC1=CC=C(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029313879	1	50	0.0	-69.33	409.76	1.92	-67.41
O=C(C=CC[NH+]1CCCC1)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313895	0	51	0.0	-66.27	406.72	2.44	-63.83
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[NH+](C2CC2)CC1	REAL300029313916	0	54	0.0	-63.37	416.07	3.02	-60.35
C[NH+](C)C1(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029313935	0	47	0.0	-60.04	368.76	1.89	-58.15
O=C(CC[NH+]1CCCC1)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313937	0	50	0.0	-64.97	392.89	1.77	-63.20
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1C[NH+]2CCN1CC2	REAL300029313971	0	50	0.0	-69.91	382.58	-1.32	-71.23
C[N@@H+]1CC2CC1(C(=O)NCC13CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029313981	1	48	0.0	-59.72	378.68	1.32	-58.40
C[N@H+]1CC2CC1(C(=O)NCC13CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029313981	1	48	0.0	-64.30	379.20	1.32	-62.98
O=C(C[N@@H+]1CC2CCC1C2)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313993	0	51	0.0	-61.21	389.51	2.09	-59.12
O=C(C[N@H+]1CC2CCC1C2)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313993	1	51	0.0	-61.70	390.19	2.06	-59.64
O=C(C=C1C[NH+]2CCC1CC2)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029314034	0	52	0.0	-65.27	402.31	2.55	-62.72
CC[NH+]1CCN(CC(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029314075	0	55	0.0	-64.86	422.92	0.34	-64.52
CC(C[NH+](C)C)C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029314092	0	49	0.0	-65.65	384.57	1.42	-64.23
C[N@@H+]1CCCCC1CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029314162	0	53	0.0	-57.44	397.93	2.22	-55.22
C[N@H+]1CCCCC1CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029314162	1	53	0.0	-65.97	405.43	2.40	-63.57
CC1=C2C=C(C(=O)NCC34CC(CO3)N(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300029314178	1	48	0.0	-65.88	398.52	4.23	-61.65
CC(C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CC(C)C1	REAL300029314179	1	50	0.0	-61.32	394.92	1.83	-59.49
CC1CC[N@@H+]1CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029314182	1	47	0.0	-61.59	371.62	1.03	-60.56
CC1CC[N@H+]1CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029314182	1	47	0.0	-73.71	376.80	1.30	-72.41
C[NH+](C)CC(O)CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029314186	0	50	0.0	-69.47	399.04	-0.81	-70.28
CC1C[N@H+](C)CC(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029314213	1	51	0.0	-74.78	394.95	1.35	-73.43
CC1C[N@@H+](C)CC(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029314213	1	51	0.0	-73.19	397.79	0.94	-72.25
O=C(CC[NH+]1CCC(O)CC1)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029314222	0	54	0.0	-68.40	420.80	-0.79	-69.19
CCC[N@@H+]1CCCCC1C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029314224	0	56	0.0	-61.09	417.39	3.03	-58.06
CCC[N@H+]1CCCCC1C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029314224	1	56	0.0	-61.54	418.21	3.01	-58.53
C[NH+](C)[C@H]1C[C@H](C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029314294	0	50	0.0	-76.12	395.01	1.95	-74.17
CC(CC[NH+](C)C)C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029314302	0	52	0.0	-67.11	406.21	2.04	-65.07
C[N@H+](CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300029314322	0	54	0.0	-61.70	416.87	-0.59	-62.29
C[N@@H+](CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300029314322	1	54	0.0	-61.62	416.75	-0.40	-62.02
C[NH+]1CCN(CC(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029314331	1	52	0.0	-65.88	405.57	-0.32	-66.20
CC[NH+]1CCN(CC(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029314340	0	55	0.0	-64.86	422.92	0.34	-64.52
NC(=[NH2+])SCC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029314364	0	41	0.0	-64.89	354.87	-2.94	-67.83
CC[N@@H+]1CCOCC1CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029314399	0	54	0.0	-64.54	409.82	0.54	-64.00
C[NH+](C)C1CCC(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029314414	0	56	0.0	-66.44	418.45	2.85	-63.59
C[NH+](C)CCC1(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029314415	0	53	0.0	-56.41	420.94	2.74	-53.67
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029314417	0	56	0.0	-66.97	418.70	2.88	-64.09
C[N@@H+]1CC=CCC1CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029314418	0	51	0.0	-60.74	392.34	2.15	-58.59
C[N@H+]1CC=CCC1CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029314418	1	51	0.0	-60.74	392.34	2.15	-58.59
C[C@@H](OCC[NH+](C)C)C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029314439	0	53	0.0	-66.36	421.93	1.95	-64.41
C[NH+]1C2CCC1CC(C(=O)NCC13CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029314465	0	54	0.0	-63.36	388.84	2.66	-60.70
CCC1C[NH+](CC(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029314573	1	50	0.0	-64.24	398.49	2.00	-62.24
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1([NH+]2CCCC2)CCC1	REAL300029314575	0	54	0.0	-60.00	406.13	2.88	-57.12
C[N@H+]1CCC[C@H]1C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029314584	1	47	0.0	-64.19	366.44	0.71	-63.48
O=C(CC[N@@H+]1CCC(F)C1)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029314591	1	50	0.0	-69.22	400.32	1.95	-67.27
COC1C[N@@H+](C)C(C)(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029314599	1	54	0.0	-62.20	416.04	0.64	-61.56
O=C(CC[NH+]1CCCCCC1)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029314607	0	56	0.0	-65.36	420.35	2.82	-62.54
O=C(C[NH+]1CCCCC1)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029314609	0	50	0.0	-62.58	387.89	2.03	-60.55
CC1C(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029314619	0	50	0.0	-61.55	392.17	1.76	-59.79
CC1C(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029314619	1	50	0.0	-61.28	391.69	1.76	-59.52
C[N@@H+]1CCCCC1CCC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029314621	0	56	0.0	-64.62	427.34	3.11	-61.51
C[N@H+]1CCCCC1CCC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029314621	1	56	0.0	-65.35	427.40	3.14	-62.21
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@@H+]2CCOCC12	REAL300029314649	0	52	0.0	-64.99	405.38	0.44	-64.55
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@H+]2CCOCC12	REAL300029314649	1	52	0.0	-64.86	405.10	0.43	-64.43
CC1=[NH+]C=C2C=CC(C(=O)NCC34CC(CO3)N(C(=O)C3=CC(=O)[N-]O3)C4)=CN21	REAL300029314654	0	48	0.0	-62.35	397.75	3.44	-58.91
CN1CCOCC1CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029314668	0	51	0.0	-63.42	389.30	-0.18	-63.60
C[N@@H+]1CCOCC1CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029314668	1	51	0.0	-59.79	388.91	-0.12	-59.91
C[N@H+]1CCOCC1CC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029314668	1	51	0.0	-63.42	389.30	-0.18	-63.60
CC1=C(C)[NH+]=C(CCC(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300029314676	1	51	0.0	-59.84	416.40	1.45	-58.39
C[N@H+]1CCCC1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029314846	1	47	0.0	-62.96	371.24	1.19	-61.77
CC1=[NH+]C=CN1CCCC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029315032	1	51	0.0	-64.59	419.94	3.21	-61.38
O=C(CC[NH+]1CCOCC1)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029315037	1	51	0.0	-68.90	403.66	0.35	-68.55
O=C(NCC12CC(CO1)N(C(=O)C13CCC[NH+]1CCC3)C2)C1=CC(=O)[N-]O1	REAL300029315062	0	51	0.0	-60.67	384.86	1.74	-58.93
O=C(NCC12CC(CO1)N(C(=O)C1=CC3=C[NH+]=CN3C=C1)C2)C1=CC(=O)[N-]O1	REAL300029315071	1	45	0.0	-66.51	383.16	3.74	-62.77
C[NH+](C)C1CCCC(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C1	REAL300029315125	0	56	0.0	-66.21	418.32	2.92	-63.29
C[N@@H+]1CCC(CC(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C1	REAL300029315128	0	50	0.0	-66.76	394.43	1.96	-64.80
C[N@H+]1CCC(CC(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C1	REAL300029315128	1	50	0.0	-67.21	395.07	1.93	-65.28
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029315140	0	49	0.0	-64.86	397.77	0.29	-64.57
CCC(C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2)[NH+](C)C	REAL300029315145	0	49	0.0	-64.70	378.33	1.29	-63.41
C[NH+](C)CCCCC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029315207	0	52	0.0	-68.24	414.33	2.45	-65.79
CC(C)C(C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2)[NH+](C)C	REAL300029315229	0	52	0.0	-62.88	391.17	1.99	-60.89
CCC[N@H+](C)CCC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029315231	0	52	0.0	-66.60	409.69	2.33	-64.27
CCC[N@@H+](C)CCC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029315231	1	52	0.0	-67.02	409.99	2.29	-64.73
CCC[N@H+](C)CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029315236	0	49	0.0	-66.20	388.31	1.71	-64.49
CCC[N@@H+](C)CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029315236	1	49	0.0	-65.81	388.21	1.71	-64.10
O=C(NCC12CC(CO1)N(C(=O)C13CC[N@H+](C1)CCC3)C2)C1=CC(=O)[N-]O1	REAL300029315259	0	51	0.0	-86.90	377.95	0.98	-85.92
O=C(NCC12CC(CO1)N(C(=O)C13CC[N@@H+](C1)CCC3)C2)C1=CC(=O)[N-]O1	REAL300029315259	1	51	0.0	-68.38	380.08	1.18	-67.20
CCCCCC[N@H+](C)CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029315291	0	58	0.0	-67.32	452.80	4.06	-63.26
CCCCCC[N@@H+](C)CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029315291	1	58	0.0	-66.94	452.71	4.05	-62.89
CC[NH+](CC)C(C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2)C(C)C	REAL300029315295	0	58	0.0	-60.65	422.33	3.35	-57.30
CC1CC[NH+](CC(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)CC1	REAL300029315327	0	53	0.0	-64.64	411.05	2.85	-61.79
C[NH+]1CCC(OCC(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)CC1	REAL300029315353	0	54	0.0	-71.63	428.93	2.44	-69.19
O=C(NCC12CC(CO1)N(C(=O)C1CC3CCCC[N@@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300029315395	0	54	0.0	-62.59	412.96	2.88	-59.71
O=C(NCC12CC(CO1)N(C(=O)C1CC3CCCC[N@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300029315395	1	54	0.0	-63.37	412.97	2.83	-60.54
C[NH+](C)CC1(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)CC1	REAL300029315406	0	50	0.0	-58.60	394.15	2.08	-56.52
CC(C)[NH+]1CCC(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)CC1	REAL300029315417	0	56	0.0	-66.05	423.30	2.81	-63.24
CC[N@H+](C)CCC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029315438	0	49	0.0	-66.72	389.07	1.51	-65.21
CC[N@@H+](C)CCC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029315438	1	49	0.0	-66.44	388.50	1.55	-64.89
CC(C)(C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2)[NH+]1CCCCC1	REAL300029315464	0	56	0.0	-59.27	405.87	3.02	-56.25
O=C(NCC12CC(CO1)N(C(=O)C1C[NH+]3CCC1CC3)C2)C1=CC(=O)[N-]O1	REAL300029315472	0	51	0.0	-70.27	385.43	1.88	-68.39
C[NH+]1CCC(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)CC1	REAL300029315547	0	50	0.0	-68.59	392.64	1.86	-66.73
CC(C)[C@H](C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2)[NH+](C)C	REAL300029315565	0	52	0.0	-65.17	391.66	1.83	-63.34
CC[NH+](CC)CC(F)C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029315651	0	52	0.0	-63.90	407.09	1.95	-61.95
CC(C)C[N@@H+]1CCC(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C1	REAL300029315683	0	56	0.0	-64.34	429.90	3.18	-61.16
CC(C)C[N@H+]1CCC(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C1	REAL300029315683	1	56	0.0	-65.78	428.75	3.08	-62.70
C[NH+](C)C1(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)CCC1	REAL300029315687	0	50	0.0	-62.66	376.33	1.16	-61.50
CCC(C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2)[NH+](CC)CC	REAL300029315718	0	55	0.0	-61.25	408.90	2.73	-58.52
CC1CCC[N@@H+]1CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029315738	0	50	0.0	-60.00	391.48	2.28	-57.72
CC1CCC[N@H+]1CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029315738	1	50	0.0	-62.28	387.24	1.72	-60.56
CC(C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2)[NH+]1CCCCCC1	REAL300029315793	0	56	0.0	-62.36	409.67	2.74	-59.62
CC(C)[N@@H+]1CCCCC1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029315795	0	56	0.0	-60.40	411.06	2.52	-57.88
CC(C)[N@H+]1CCCCC1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029315795	1	56	0.0	-60.18	419.58	2.78	-57.40
CC(C)[N@@H+]1CCCC1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029315816	0	53	0.0	-60.97	404.30	2.22	-58.75
CC(C)[N@H+]1CCCC1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029315816	1	53	0.0	-60.48	395.10	2.46	-58.02
CC(C)[N@@H+]1CCCC1CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029315822	0	56	0.0	-61.36	419.95	2.48	-58.88
CC(C)[N@H+]1CCCC1CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029315822	1	56	0.0	-59.35	417.82	2.39	-56.96
CC(C)[C@@H](C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2)[NH+](C)C	REAL300029315835	0	52	0.0	-64.66	391.99	1.77	-62.89
CC1CC[N@H+](CC(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C1	REAL300029315855	0	50	0.0	-65.20	395.10	2.05	-63.15
CC1CC[N@@H+](CC(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C1	REAL300029315855	1	50	0.0	-64.74	395.01	2.01	-62.73
CC1(C)CC[N@H+](CC(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C1	REAL300029315859	0	53	0.0	-63.98	413.36	2.58	-61.40
CC1(C)CC[N@@H+](CC(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C1	REAL300029315859	1	53	0.0	-70.43	413.58	2.61	-67.82
C[N@H+](CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2)CC(C)(C)C	REAL300029315860	0	55	0.0	-65.25	416.81	2.69	-62.56
C[N@@H+](CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2)CC(C)(C)C	REAL300029315860	1	55	0.0	-65.58	418.87	2.83	-62.75
CC[C@@H](C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2)[NH+](C)C	REAL300029315868	0	49	0.0	-63.08	377.89	1.38	-61.70
CC1=[NH+]C=CN1CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029316058	1	45	0.0	-63.03	378.41	1.90	-61.13
CC(C[NH+]1CCOCC1)C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029316059	1	54	0.0	-69.24	420.86	0.88	-68.36
O=C(CCC[NH+]1CCCCC1)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029316075	0	56	0.0	-66.01	433.69	3.57	-62.44
C[NH+](C)CC1=CC(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)=NO1	REAL300029316090	1	49	0.0	-74.51	404.33	1.40	-73.11
CC1=C(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C=CC2=C[NH+]=CN21	REAL300029316091	0	48	0.0	-62.61	399.93	4.12	-58.49
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029316125	1	51	0.0	-61.94	414.83	3.02	-58.92
O=C(NCC12CC(CO1)N(C(=O)C1CCCC3CCC[N@@H+]31)C2)C1=CC(=O)[N-]O1	REAL300029316156	0	54	0.0	-60.77	400.71	2.42	-58.35
O=C(NCC12CC(CO1)N(C(=O)C1CCCC3CCC[N@H+]31)C2)C1=CC(=O)[N-]O1	REAL300029316156	1	54	0.0	-61.26	399.92	2.43	-58.83
CC[N@@H+]1CCOC(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C1	REAL300029316173	1	51	0.0	-63.20	391.42	1.11	-62.09
CC[N@H+]1CCOC(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C1	REAL300029316173	1	51	0.0	-69.70	391.74	1.08	-68.62
O=C(NCC12CC(CO1)N(C(=O)C1=CN3C=[NH+]C=C3C=C1)C2)C1=CC(=O)[N-]O1	REAL300029316224	0	45	0.0	-68.81	383.61	3.65	-65.16
CC1=C[NH+]=CN1CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029316229	1	45	0.0	-66.82	377.81	2.60	-64.22
C[C@@H]1[C@H](C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)CC[N@@H+]1C	REAL300029316243	0	50	0.0	-69.00	385.07	1.20	-67.80
C[C@@H]1[C@H](C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)CC[N@H+]1C	REAL300029316243	1	50	0.0	-64.38	389.16	1.81	-62.57
CC[C@@H]1[C@@H](C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)CC[N@@H+]1C	REAL300029316247	0	53	0.0	-67.23	401.41	1.81	-65.42
CC[C@@H]1[C@@H](C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)CC[N@H+]1C	REAL300029316247	1	53	0.0	-72.07	405.22	2.25	-69.82
CC1CCC(C)[NH+]1CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029316258	0	53	0.0	-61.79	406.12	2.29	-59.50
O=C(CCC[NH+]1CCCC1)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029316264	0	53	0.0	-66.01	418.02	2.87	-63.14
C#CC[NH+]1CCC(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)CC1	REAL300029316270	0	52	0.0	-69.11	417.81	3.05	-66.06
O=C(CC[NH+]1CCCCC1)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029316271	0	53	0.0	-66.29	412.97	2.73	-63.56
CC[N@@H+]1CCCCC1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029316278	0	53	0.0	-62.43	406.92	2.47	-59.96
CC[N@H+]1CCCCC1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029316278	1	53	0.0	-67.01	393.93	2.12	-64.89
C[NH+](C)C1(CC(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)CCCC1	REAL300029316318	0	56	0.0	-66.81	412.81	2.71	-64.10
C[N@H+](CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2)C1CCC1	REAL300029316459	0	50	0.0	-63.57	394.50	2.31	-61.26
C[N@@H+](CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2)C1CCC1	REAL300029316459	1	50	0.0	-64.11	395.22	2.28	-61.83
CC(C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2)[NH+]1C(C)CCC1C	REAL300029316481	0	56	0.0	-58.76	415.45	2.57	-56.19
O=C(CCCC[NH+]1CCCC1)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029316493	0	56	0.0	-66.89	440.21	3.64	-63.25
C[NH+]1CCC(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)CC1	REAL300029316504	0	50	0.0	-68.59	392.64	1.86	-66.73
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029316545	0	47	0.0	-64.80	366.79	0.84	-63.96
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029316545	1	47	0.0	-62.53	368.70	1.16	-61.37
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029316568	1	49	0.0	-60.91	393.59	2.06	-58.85
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029316568	1	49	0.0	-62.40	396.91	2.42	-59.98
C[N@@H+]1CCCC1CCC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029316574	0	53	0.0	-64.97	415.82	2.84	-62.13
C[N@H+]1CCCC1CCC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029316574	1	53	0.0	-64.38	408.22	2.50	-61.88
O=C(NCC12CC(CO1)N(C(=O)C13CCC[NH+](CCC1)C3)C2)C1=CC(=O)[N-]O1	REAL300029316583	0	54	0.0	-66.71	395.98	1.93	-64.78
O=C(NCC12CC(CO1)N(C(=O)C1CCC3CCCC[N@@H+]31)C2)C1=CC(=O)[N-]O1	REAL300029316586	0	54	0.0	-59.98	413.00	3.09	-56.89
O=C(NCC12CC(CO1)N(C(=O)C1CCC3CCCC[N@H+]31)C2)C1=CC(=O)[N-]O1	REAL300029316586	1	54	0.0	-60.34	408.72	2.76	-57.58
CCC[N@@H+]1CCCC(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C1	REAL300029316655	0	56	0.0	-64.99	431.54	3.24	-61.75
CCC[N@H+]1CCCC(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C1	REAL300029316655	1	56	0.0	-64.44	431.86	3.21	-61.23
CC(C)[N@@H+]1CCOC(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C1	REAL300029316670	1	54	0.0	-84.74	414.63	1.70	-83.04
CC(C)[N@H+]1CCOC(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C1	REAL300029316670	1	54	0.0	-62.50	409.14	1.60	-60.90
C[N@@H+]1CCCCC1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029316693	0	50	0.0	-62.99	389.72	1.84	-61.15
C[N@H+]1CCCCC1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029316693	1	50	0.0	-62.52	388.95	1.90	-60.62
CC(C)C[N@@H+]1CCCC1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029316716	0	56	0.0	-61.89	429.42	3.26	-58.63
CC(C)C[N@H+]1CCCC1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029316716	1	56	0.0	-60.95	412.34	3.16	-57.79
O=C(C[NH+]1CCC(CO)CC1)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029316731	0	54	0.0	-67.15	421.51	-0.47	-67.62
CC1C(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)CC[N@@H+]1C	REAL300029316774	0	50	0.0	-65.06	383.93	1.57	-63.49
CC1C(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)CC[N@H+]1C	REAL300029316774	1	50	0.0	-66.93	384.75	1.25	-65.68
C[N@@H+]1CCCCC1CCC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029316776	0	56	0.0	-65.68	422.94	3.02	-62.66
C[N@H+]1CCCCC1CCC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029316776	1	56	0.0	-67.73	423.04	3.06	-64.67
NC1=[NH+]C2=C(C=C1C(=O)N1CC3(CNC(=O)C4=CC(=O)[N-]O4)CC1CO3)CCC2	REAL300029316807	1	50	0.0	-58.48	401.98	1.00	-57.48
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029316865	0	53	0.0	-61.71	409.71	2.02	-59.69
CC(C)(C)[N@H+]1CCC1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029316865	1	53	0.0	-62.18	410.92	2.07	-60.11
C[C@@H](C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2)[NH+](C)C	REAL300029316883	0	46	0.0	-63.27	364.83	0.68	-62.59
C=CCC(C)(C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2)[NH+](C)C	REAL300029316900	0	53	0.0	-65.51	391.45	2.23	-63.28
O=C(CC[NH+]1CCCC1)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029316922	0	50	0.0	-66.29	397.30	2.03	-64.26
C[N@H+](CCO)CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029316932	1	47	0.0	-66.51	377.06	-2.28	-68.79
C[N@@H+](CCO)CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029316932	1	47	0.0	-65.81	376.95	-2.28	-68.09
O=C(NCC12CC(CO1)N(C(=O)C1C[N@@H+]3CCN1CCC3)C2)C1=CC(=O)[N-]O1	REAL300029316968	0	53	0.0	-66.97	396.18	-0.48	-67.45
O=C(NCC12CC(CO1)N(C(=O)C1C[N@H+]3CCN1CCC3)C2)C1=CC(=O)[N-]O1	REAL300029316968	1	53	0.0	-72.26	390.61	-0.24	-72.50
CC(C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2)[NH+]1CCSCC1	REAL300029316989	1	51	0.0	-65.58	405.74	2.21	-63.37
C[N@H+]1CC=C(CC(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)CC1	REAL300029317021	0	51	0.0	-67.48	407.73	2.64	-64.84
C[N@@H+]1CC=C(CC(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)CC1	REAL300029317021	1	51	0.0	-66.94	408.33	2.62	-64.32
C[S+](C)CCC(O)C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317036	0	49	0.0	-70.06	409.83	-0.24	-70.30
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317054	0	51	0.0	-65.21	385.73	-2.12	-67.33
C[N@H+]1CC(O)CC1(C)C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317054	1	51	0.0	-61.97	385.90	-2.17	-64.14
CN1CC[N@H+](C)CC(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C1	REAL300029317064	0	55	0.0	-68.34	421.56	0.38	-67.96
CN1CC[N@@H+](C)CC(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C1	REAL300029317064	1	55	0.0	-77.26	420.37	-0.14	-77.40
CC(C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2)[N@@H+]1CCCC(O)C1	REAL300029317065	0	54	0.0	-62.25	419.14	-0.85	-63.10
CC(C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2)[N@H+]1CCCC(O)C1	REAL300029317065	1	54	0.0	-64.51	418.10	-0.87	-65.38
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317092	0	50	0.0	-62.66	409.29	1.14	-61.52
C[N@@H+]1CCCC(O)(CC(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C1	REAL300029317098	0	54	0.0	-64.78	408.95	0.53	-64.25
C[N@H+]1CCCC(O)(CC(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C1	REAL300029317098	1	54	0.0	-71.06	405.74	0.64	-70.42
CC1C[NH+](CC(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C1	REAL300029317103	1	47	0.0	-65.68	380.23	1.38	-64.30
CC[N@@H+]1CCCC(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C1	REAL300029317110	0	53	0.0	-64.58	402.65	2.62	-61.96
CC[N@H+]1CCCC(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C1	REAL300029317110	1	53	0.0	-69.00	399.98	2.43	-66.57
NC1=[NH+]C=CC=C1CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317116	0	46	0.0	-63.86	383.32	0.11	-63.75
O=C(NCC12CC(CO1)N(C(=O)C1CCC[N@@H+]1C1CC1)C2)C1=CC(=O)[N-]O1	REAL300029317128	0	51	0.0	-63.43	400.12	2.24	-61.19
O=C(NCC12CC(CO1)N(C(=O)C1CCC[N@H+]1C1CC1)C2)C1=CC(=O)[N-]O1	REAL300029317128	1	51	0.0	-61.23	397.45	2.06	-59.17
O=C(C=CC[NH+]1CCCC1)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317170	0	51	0.0	-67.99	410.60	2.69	-65.30
O=C(NCC12CC(CO1)N(C(=O)C1CC[NH+](C3CC3)CC1)C2)C1=CC(=O)[N-]O1	REAL300029317191	0	54	0.0	-78.56	415.23	2.91	-75.65
CC[N@H+](C)CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317234	0	46	0.0	-65.40	366.71	0.96	-64.44
O=C(CN1CC2C=CC1C2)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317285	0	49	0.0	-62.10	387.64	2.15	-59.95
O=C(C[N@@H+]1CC2C=CC1C2)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317285	1	49	0.0	-62.84	388.23	2.15	-60.69
O=C(C[N@H+]1CC2C=CC1C2)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317285	1	49	0.0	-62.84	388.23	2.15	-60.69
O=C(NCC12CC(CO1)N(C(=O)C13CCC[N@@H+]1CCCC3)C2)C1=CC(=O)[N-]O1	REAL300029317404	0	54	0.0	-59.77	397.08	2.22	-57.55
O=C(NCC12CC(CO1)N(C(=O)C13CCC[N@H+]1CCCC3)C2)C1=CC(=O)[N-]O1	REAL300029317404	1	54	0.0	-59.77	397.08	2.22	-57.55
O=C(NCC12CC(CO1)N(C(=O)C13CCC[N@@H+]1CC=CC3)C2)C1=CC(=O)[N-]O1	REAL300029317411	0	52	0.0	-59.57	388.17	1.89	-57.68
O=C(NCC12CC(CO1)N(C(=O)C13CCC[N@H+]1CC=CC3)C2)C1=CC(=O)[N-]O1	REAL300029317411	1	52	0.0	-59.57	388.17	1.89	-57.68
CC(OCC[NH+](C)C)C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317421	0	53	0.0	-67.28	420.33	1.89	-65.39
C[NH+](C)CCOCCC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317430	0	53	0.0	-65.39	425.79	1.09	-64.30
COCCN(C)CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317432	0	50	0.0	-65.57	399.21	0.12	-65.45
COCC[N@H+](C)CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317432	1	50	0.0	-66.53	399.32	0.12	-66.41
COCC[N@@H+](C)CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317432	1	50	0.0	-66.53	399.32	0.12	-66.41
CC(CCC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2)[NH+](C)C	REAL300029317437	0	52	0.0	-66.29	406.25	2.02	-64.27
CC[N@H+](CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2)C1CC1	REAL300029317462	0	50	0.0	-62.81	395.02	2.30	-60.51
CC1C[N@@H+]2CCN1C(C(=O)N1CC3(CNC(=O)C4=CC(=O)[N-]O4)CC1CO3)C2	REAL300029317477	0	53	0.0	-66.87	398.03	-0.95	-67.82
C[N@@H+]1CC2CC1(C(=O)N1CC3(CNC(=O)C4=CC(=O)[N-]O4)CC1CO3)C2	REAL300029317500	0	48	0.0	-63.82	370.46	1.41	-62.41
CC1=NC(N)=CC=C1C=CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317509	0	50	0.0	-63.35	412.39	0.98	-62.37
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317509	1	50	0.0	-63.35	412.39	0.98	-62.37
O=C(C[N@@H+]1CC2CCC1C2)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317515	0	51	0.0	-63.36	395.76	2.37	-60.99
O=C(C[N@H+]1CC2CCC1C2)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317515	1	51	0.0	-63.36	395.76	2.37	-60.99
CC(C[NH+](C)C)C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317535	0	49	0.0	-68.42	387.96	1.42	-67.00
CCN1CCC1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317583	0	47	0.0	-62.87	371.95	1.03	-61.84
CC[N@@H+]1CCC1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317583	1	47	0.0	-62.18	371.61	0.96	-61.22
CC[N@H+]1CCC1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317583	1	47	0.0	-62.18	371.61	0.96	-61.22
CC(C)[N@@H+]1CCCC(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C1	REAL300029317595	0	56	0.0	-59.31	416.87	3.11	-56.20
CC(C)[N@H+]1CCCC(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C1	REAL300029317595	1	56	0.0	-59.31	416.87	3.11	-56.20
CCC(C)(C)[NH2+]C(C)C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317610	0	55	0.0	-64.44	413.30	0.88	-63.56
C#CCN1CCCCC1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317651	0	52	0.0	-60.84	399.61	2.71	-58.13
C#CC[N@H+]1CCCCC1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317651	1	52	0.0	-60.13	413.27	3.04	-57.09
C#CC[N@@H+]1CCCCC1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317651	1	52	0.0	-60.13	413.27	3.04	-57.09
CNC1=NC(C)=CC=C1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317652	0	49	0.0	-57.33	397.00	0.96	-56.37
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317652	1	49	0.0	-57.33	397.00	0.96	-56.37
CCCC(C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2)[NH+](C)C	REAL300029317662	0	52	0.0	-65.32	399.84	2.05	-63.27
C[NH+](C)C(C)(C)C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317669	0	49	0.0	-65.90	368.65	0.90	-65.00
CC(CC[NH+](C)C)C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317687	0	52	0.0	-69.29	409.62	2.04	-67.25
O=C(NCC12CC(CO1)N(C(=O)C13CC(C1)C[N@@H+]3C1CC1)C2)C1=CC(=O)[N-]O1	REAL300029317754	0	52	0.0	-59.81	395.46	3.11	-56.70
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317788	0	53	0.0	-61.69	407.41	1.89	-59.80
C[N@H+]1CC(C)(C)CC1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317788	1	53	0.0	-61.69	407.41	1.89	-59.80
C[NH+](C)CCCCCC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317793	0	55	0.0	-68.46	435.83	3.23	-65.23
O=C(CC[NH+]1CCC(O)CC1)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317797	0	54	0.0	-69.87	423.61	-0.64	-70.51
CCC[N@@H+]1CCCCC1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317801	0	56	0.0	-61.38	415.95	2.84	-58.54
CCC[N@H+]1CCCCC1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317801	1	56	0.0	-61.38	415.95	2.84	-58.54
CN1CCN(CC(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)CC1	REAL300029317810	0	52	0.0	-67.01	407.58	-0.18	-67.19
C[NH+]1CCN(CC(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)CC1	REAL300029317810	1	52	0.0	-67.01	407.58	-0.18	-67.19
CC1C[N@H+](C)CC(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)O1	REAL300029317903	1	51	0.0	-71.29	395.32	0.89	-70.40
CC1C[N@@H+](C)CC(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)O1	REAL300029317903	1	51	0.0	-70.38	402.74	1.29	-69.09
CCC1CCC[N@H+](CC(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C1	REAL300029317935	0	56	0.0	-64.80	429.58	3.42	-61.38
CCC1CCC[N@@H+](CC(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C1	REAL300029317935	1	56	0.0	-64.55	429.16	3.44	-61.11
C[NH+](C)CC1=CC=C(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)N1	REAL300029317943	0	51	0.0	-67.62	410.25	1.80	-65.82
O=C(C[NH+]1CC2CC2C1)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317958	0	48	0.0	-65.16	384.31	2.16	-63.00
O=C(CC1([NH+]2CCCC2)CC1)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317971	0	54	0.0	-62.17	412.08	3.03	-59.14
C[N@@H+]1CCCCC1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029318008	0	50	0.0	-62.99	389.72	1.84	-61.15
C[N@H+]1CCCCC1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029318008	1	50	0.0	-62.52	388.95	1.90	-60.62
C[N@@H+]1CCC(=CC(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C1	REAL300029318123	0	48	0.0	-70.34	387.42	1.80	-68.54
C[N@H+]1CCC(=CC(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C1	REAL300029318123	1	48	0.0	-69.81	387.09	1.83	-67.98
O=C(CNC1=CC=[NH+]C=C1)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029318128	0	46	0.0	-64.68	384.69	-0.44	-65.12
CC[NH+]1CCN(CC(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)CC1	REAL300029318182	0	55	0.0	-65.77	425.32	0.50	-65.27
O=C(C=C1C[NH+]2CCC1CC2)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029318185	0	52	0.0	-66.13	404.21	2.72	-63.41
C[NH+](C)C1(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)CCCC1	REAL300029318220	0	53	0.0	-63.72	382.23	1.51	-62.21
C[N@H+](CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2)[C@@H]1CCC[C@H]1O	REAL300029318231	0	54	0.0	-62.71	419.59	-0.32	-63.03
C[N@@H+](CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2)[C@@H]1CCC[C@H]1O	REAL300029318231	1	54	0.0	-64.93	419.96	-0.51	-65.44
CCC1C[NH+](CC(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C1	REAL300029318235	1	50	0.0	-66.46	401.35	2.12	-64.34
O=C(NCC12CC(CO1)N(C(=O)C1([NH+]3CCCC3)CCC1)C2)C1=CC(=O)[N-]O1	REAL300029318239	0	54	0.0	-60.00	404.32	2.55	-57.45
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029318253	0	47	0.0	-63.34	370.90	1.12	-62.22
C[N@H+]1CCC[C@H]1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029318253	1	47	0.0	-65.59	367.67	0.80	-64.79
CCN1CCOCC1CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029318281	0	54	0.0	-65.55	412.16	0.67	-64.88
CC[N@@H+]1CCOCC1CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029318281	1	54	0.0	-67.18	416.16	0.84	-66.34
CC[N@H+]1CCOCC1CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029318281	1	54	0.0	-67.18	416.16	0.84	-66.34
NC1=NC2=CC(C(=O)N3CC4(CNC(=O)C5=CC(=O)[N-]O5)CC3CO4)=CC=C2N1	REAL300029318362	0	47	0.0	-59.33	386.75	1.09	-58.24
NC1=[NH+]C2=CC(C(=O)N3CC4(CNC(=O)C5=CC(=O)[N-]O5)CC3CO4)=CC=C2N1	REAL300029318362	1	47	0.0	-59.33	386.75	1.09	-58.24
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C1	REAL300029318396	0	50	0.0	-65.50	398.53	2.03	-63.47
C[NH+](C)C1CCC(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)CC1	REAL300029318410	0	56	0.0	-63.67	417.59	2.99	-60.68
C[NH+](C)CCC1(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)CC1	REAL300029318411	0	53	0.0	-68.47	417.69	2.79	-65.68
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)CC1	REAL300029318413	0	56	0.0	-70.13	415.46	2.72	-67.41
C[N@@H+]1CC=CCC1CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029318414	0	51	0.0	-57.49	392.34	2.50	-54.99
C[N@H+]1CC=CCC1CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029318414	1	51	0.0	-57.49	392.34	2.50	-54.99
CC1=CC(C=CC(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)=CN=C1N	REAL300029318462	0	50	0.0	-64.30	413.37	1.26	-63.04
CC1=CC(C=CC(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)=C[NH+]=C1N	REAL300029318462	1	50	0.0	-64.30	413.37	1.26	-63.04
C[NH+](C)CCOCC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029318474	0	50	0.0	-67.49	404.84	1.41	-66.08
CCCCC[N@H+](C)CCC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029318480	0	58	0.0	-67.89	452.99	3.86	-64.03
CCCCC[N@@H+](C)CCC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029318480	1	58	0.0	-67.89	452.99	3.86	-64.03
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)O1	REAL300029318491	0	54	0.0	-67.45	423.71	2.16	-65.29
[NH2+]=C1SC=CN1CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029318515	0	43	0.0	-61.92	376.05	0.47	-61.45
C[C@@H](OCC[NH+](C)C)C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029318584	0	53	0.0	-65.87	419.66	1.96	-63.91
O=C(CC[NH+]1CCCCCC1)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029318622	0	56	0.0	-67.44	422.99	2.93	-64.51
O=C(C[NH+]1CCCCC1)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029318626	0	50	0.0	-65.19	391.20	2.18	-63.01
C[N@@H+]1CCCC(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C1	REAL300029318628	0	50	0.0	-80.14	392.35	1.82	-78.32
C[N@H+]1CCCC(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C1	REAL300029318628	1	50	0.0	-61.33	382.82	1.93	-59.40
O=C(C[NH+]1CCC(CO)CC1)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029318629	0	54	0.0	-67.15	421.51	-0.47	-67.62
O=C(C[NH+]1CCCCCC1)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029318630	0	53	0.0	-64.76	399.36	2.37	-62.39
CN1C=C[N+](CC(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)=C1	REAL300029318635	0	45	0.0	-64.27	379.63	3.83	-60.44
C[NH+](C)CC1=CC=C(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)O1	REAL300029318651	1	50	0.0	-65.06	408.95	2.05	-63.01
O=C(C[NH+]1CCC(O)CC1)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029318667	1	51	0.0	-67.75	400.90	-1.13	-68.88
C[N@@H+](CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2)C1CC1	REAL300029318672	1	47	0.0	-62.79	377.49	1.76	-61.03
CC(C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2)N1CC[NH+](C)CC1	REAL300029318674	1	55	0.0	-66.49	424.52	0.23	-66.26
O=C(CC[N@@H+]1CCC(F)C1)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029318676	1	50	0.0	-70.50	403.59	2.13	-68.37
COC1C[N@@H+](C)C(C)(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C1	REAL300029318686	1	54	0.0	-64.51	407.81	0.24	-64.27
CC(CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2)C[NH+](C)C	REAL300029318703	0	52	0.0	-66.68	405.30	2.34	-64.34
O=C(NCC12CC(CO1)N(C(=O)C1CC[N@@H+]3CCOCC13)C2)C1=CC(=O)[N-]O1	REAL300029318718	0	52	0.0	-68.21	406.01	0.48	-67.73
O=C(NCC12CC(CO1)N(C(=O)C1CC[N@H+]3CCOCC13)C2)C1=CC(=O)[N-]O1	REAL300029318718	1	52	0.0	-68.96	404.49	0.44	-68.52
CC1=[NH+]C=C2C=CC(C(=O)N3CC4(CNC(=O)C5=CC(=O)[N-]O5)CC3CO4)=CN21	REAL300029318723	0	48	0.0	-60.03	404.48	3.47	-56.56
CN1CCOCC1CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029318737	0	51	0.0	-62.80	392.10	-0.02	-62.82
C[N@@H+]1CCOCC1CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029318737	1	51	0.0	-67.60	396.75	0.31	-67.29
C[N@H+]1CCOCC1CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029318737	1	51	0.0	-62.80	392.10	-0.02	-62.82
CC[NH+]1CCN(CC(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)CC1	REAL300029318745	0	55	0.0	-65.77	425.32	0.50	-65.27
CC1=CC(N)=[NH+]C=C1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029318797	1	46	0.0	-64.05	377.27	-0.43	-64.48
NC1=CC=C(CCC(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C=[NH+]1	REAL300029318800	0	49	0.0	-64.47	407.99	0.80	-63.67
CC1(O)CC[N@@H+](CC(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C1	REAL300029318839	1	51	0.0	-65.19	404.94	-1.30	-66.49
C[NH+]1CC(CC(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C1	REAL300029318873	0	47	0.0	-66.66	380.42	1.12	-65.54
O=C(NCC12CC(CO1)N(C(=O)C1CC[N@@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300029318878	0	54	0.0	-63.43	420.35	3.17	-60.26
O=C(NCC12CC(CO1)N(C(=O)C1CC[N@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300029318878	1	54	0.0	-63.87	419.73	3.14	-60.73
C[NH+](C)CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029318886	0	43	0.0	-66.39	348.97	0.29	-66.10
C[N@H+](CCO)CCC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029318914	0	50	0.0	-66.73	398.85	-1.67	-68.40
C[N@@H+](CCO)CCC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029318914	1	50	0.0	-65.67	398.50	-1.64	-67.31
C[C@@H](C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2)[NH+](C)C	REAL300029318915	0	46	0.0	-63.27	364.83	0.68	-62.59
C[N@@H+]1CCCCC1CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029318935	0	53	0.0	-66.54	408.23	2.50	-64.04
C[N@H+]1CCCCC1CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029318935	1	53	0.0	-60.30	400.81	2.38	-57.92
CC1=C2C=C(C(=O)N3CC4(CNC(=O)C5=CC(=O)[N-]O5)CC3CO4)C=CN2C=[NH+]1	REAL300029318955	1	48	0.0	-66.32	405.63	4.26	-62.06
CC(C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2)[NH+]1CC(C)C1	REAL300029318956	0	50	0.0	-64.93	396.00	1.78	-63.15
CC1CC[N@@H+]1CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029318960	1	47	0.0	-63.79	380.24	1.40	-62.39
CC1CC[N@H+]1CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029318960	1	47	0.0	-62.20	377.47	1.55	-60.65
C[NH+](C)CC=CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029318973	0	47	0.0	-69.21	385.53	1.53	-67.68
CC1(C)C[NH+](CC(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C1	REAL300029318986	1	50	0.0	-64.39	398.93	2.02	-62.37
CC1=C(C)[NH+]=C(CCC(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)N1	REAL300029319004	1	51	0.0	-60.99	419.12	1.61	-59.38
CC1=C2C=C(C(=O)N3CC4(CNC(=O)C5=CC(=O)[N-]O5)CC3CO4)C=CN2C=[NH+]1	REAL300029319015	1	48	0.0	-66.32	405.63	4.26	-62.06
C[NH+](C)CCSCC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029319024	0	50	0.0	-70.53	415.87	2.24	-68.29
O=C(C[N@H+]1CCCC1CO)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029319049	0	51	0.0	-61.40	394.38	-1.17	-62.57
O=C(C[N@@H+]1CCCC1CO)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029319049	1	51	0.0	-62.21	394.20	-1.13	-63.34
CC[NH+](CC)CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029319053	0	49	0.0	-63.90	380.56	1.37	-62.53
C[N@H+](CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2)C1CCSC1	REAL300029319063	0	51	0.0	-71.09	407.30	2.60	-68.49
C[N@@H+](CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2)C1CCSC1	REAL300029319063	1	51	0.0	-71.10	408.32	2.51	-68.59
O=C(C[NH+]1CCC1)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029319065	1	44	0.0	-65.13	358.70	0.80	-64.33
CC[NH+](CC)CCC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029319111	0	52	0.0	-66.06	402.57	1.94	-64.12
C[NH+](C)CC1=CNC(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)=C1	REAL300029319173	0	51	0.0	-68.35	410.27	1.66	-66.69
CC(C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2)[NH+]1CCC(O)CC1	REAL300029319190	0	54	0.0	-64.99	407.98	-1.13	-66.12
O=C(NCC12CC(CO1)N(C(=O)C1CC3COCC[N@@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300029319196	0	52	0.0	-66.46	403.30	0.49	-65.97
O=C(NCC12CC(CO1)N(C(=O)C1CC3COCC[N@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300029319196	1	52	0.0	-67.40	404.02	0.47	-66.93
CC(C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2)[NH+]1CCC1	REAL300029319210	1	47	0.0	-64.21	377.08	1.25	-62.96
CCC(CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2)C[NH+](C)C	REAL300029319216	0	55	0.0	-68.37	420.48	2.77	-65.60
NC1=CC=C(C=CC(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C=[NH+]1	REAL300029319223	0	47	0.0	-64.57	394.78	0.53	-64.04
C[NH+](C)CC(C)(C)C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029319224	0	52	0.0	-62.36	384.15	1.58	-60.78
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029319282	0	50	0.0	-64.18	376.75	1.39	-62.79
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029319282	1	50	0.0	-61.61	389.13	1.83	-59.78
CC1CN2CC[N@@H+]1CC2C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029319296	0	53	0.0	-64.70	397.69	-1.01	-65.71
CC1CN2CC[N@H+]1CC2C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029319296	1	53	0.0	-64.93	397.99	-1.05	-65.98
C[NH+](C)CC(O)CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029319317	0	50	0.0	-70.41	401.57	-0.65	-71.06
C[NH+]1C2CCC1CC(C(=O)N1CC3(CNC(=O)C4=CC(=O)[N-]O4)CC1CO3)C2	REAL300029319320	0	54	0.0	-59.96	377.45	1.83	-58.13
C=CCC(C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2)[NH+](C)C	REAL300029319352	0	50	0.0	-64.44	392.35	1.82	-62.62
O=C(NCC12CC(CO1)N(C(=O)C1CC3CCCC[N@@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300029319360	0	54	0.0	-62.59	412.96	2.88	-59.71
O=C(NCC12CC(CO1)N(C(=O)C1CC3CCCC[N@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300029319360	1	54	0.0	-63.37	412.97	2.83	-60.54
C[NH+]1CCC(C)(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)CC1	REAL300029319371	0	53	0.0	-74.38	394.66	1.74	-72.64
C[NH+]1CCC(O)(CC(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)CC1	REAL300029319373	0	54	0.0	-68.84	419.11	0.68	-68.16
CC1=C2C=C(C(=O)NCC34CC(CO3)N(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300029319449	1	48	0.0	-65.88	398.52	4.23	-61.65
C[NH+](C)CCSCC(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029319458	0	50	0.0	-70.80	413.24	2.12	-68.68
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2COCC[N@@H+]2C1	REAL300029319466	0	52	0.0	-62.56	404.64	0.51	-62.05
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2COCC[N@H+]2C1	REAL300029319466	1	52	0.0	-63.37	405.30	0.54	-62.83
C[N@@H+]1CCCC1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029319628	0	49	0.0	-76.74	354.38	4.39	-72.35
C[N@H+]1CCCC1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029319628	1	49	0.0	-76.82	354.50	4.41	-72.41
C[N@@H+]1CCOC(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029319652	1	50	0.0	-77.89	362.48	4.04	-73.85
C[N@H+]1CCOC(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029319652	1	50	0.0	-81.98	362.84	4.04	-77.94
CC(C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300029319823	0	58	0.0	-72.36	401.85	6.25	-66.11
CC(C)[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029319825	0	58	0.0	-69.60	407.66	6.39	-63.21
CC(C)[N@H+]1CCCCC1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029319825	1	58	0.0	-70.44	407.46	6.38	-64.06
CC(C)[N@@H+]1CCCC1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029319846	0	55	0.0	-74.31	382.55	5.74	-68.57
CC(C)[N@H+]1CCCC1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029319846	1	55	0.0	-72.87	382.77	5.72	-67.15
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@@H+]2C1	REAL300029319863	0	56	0.0	-75.20	402.20	6.52	-68.68
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@H+]2C1	REAL300029319863	1	56	0.0	-73.18	401.53	6.59	-66.59
CC(C)C1=[NH+]C=CN1CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029319885	1	53	0.0	-71.54	400.05	6.60	-64.94
CC1=[NH+]C=CN1CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029319919	1	47	0.0	-72.74	363.79	5.45	-67.29
CC(C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029319921	0	56	0.0	-78.38	403.40	4.46	-73.92
O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029319938	0	58	0.0	-76.70	419.88	7.10	-69.60
CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300029319957	0	58	0.0	-71.91	398.50	6.58	-65.33
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCC1CC2	REAL300029319967	0	53	0.0	-80.91	373.75	5.56	-75.35
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1CCCC2CCC[N@@H+]21	REAL300029320013	0	56	0.0	-71.45	388.46	6.32	-65.13
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1CCCC2CCC[N@H+]21	REAL300029320013	1	56	0.0	-71.42	388.60	6.31	-65.11
C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029320029	0	52	0.0	-76.78	372.01	4.95	-71.83
C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029320029	1	52	0.0	-77.93	377.28	5.12	-72.81
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029320034	0	55	0.0	-76.84	391.36	5.49	-71.35
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029320034	1	55	0.0	-74.57	393.30	6.01	-68.56
CC[N@@H+]1CCOC(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029320049	1	53	0.0	-85.87	387.98	4.88	-80.99
CC[N@H+]1CCOC(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029320049	1	53	0.0	-80.84	380.61	4.69	-76.15
CC[NH+](CC)CC(F)C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029320095	0	54	0.0	-78.57	390.02	5.10	-73.47
CC1CCC(C)[NH+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029320168	0	55	0.0	-73.46	391.61	5.76	-67.70
O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029320174	0	55	0.0	-76.25	403.18	6.34	-69.91
C[NH+](C)CC1=CC=CC(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029320175	0	55	0.0	-77.01	411.68	7.27	-69.74
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029320180	0	54	0.0	-80.80	402.23	6.63	-74.17
O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029320181	0	55	0.0	-77.68	398.40	6.28	-71.40
C[NH+](C)CC1=CC=CC=C1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029320184	0	55	0.0	-64.55	404.24	7.63	-56.92
CC[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029320188	0	55	0.0	-72.91	382.63	5.83	-67.08
CC[N@H+]1CCCCC1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029320188	1	55	0.0	-72.28	382.62	5.84	-66.44
C[NH+](C)C(C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300029320191	1	55	0.0	-74.76	409.21	7.34	-67.42
CC(C)C[N@@H+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029320208	0	58	0.0	-76.81	419.32	6.82	-69.99
CC(C)C[N@H+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029320208	1	58	0.0	-77.41	419.24	6.80	-70.61
C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029320212	0	52	0.0	-78.76	360.84	5.02	-73.74
CC(C)[N@@H+]1CCCC1CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029320214	0	58	0.0	-68.87	404.15	6.41	-62.46
CC(C)[N@H+]1CCCC1CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029320214	1	58	0.0	-74.61	414.04	6.52	-68.09
CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029320229	0	54	0.0	-73.32	379.83	5.63	-67.69
C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029320278	0	52	0.0	-75.16	380.40	5.84	-69.32
C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029320278	1	52	0.0	-75.55	380.65	5.84	-69.71
CC(C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300029320342	0	58	0.0	-69.62	401.81	5.96	-63.66
CN(CCC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CC=[NH+]C=C1	REAL300029320398	0	54	0.0	-71.76	409.10	5.54	-66.22
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029320406	1	51	0.0	-73.84	380.88	5.65	-68.19
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029320406	1	51	0.0	-73.98	386.79	6.16	-67.82
C[N@@H+]1CCCC1CCC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029320412	0	55	0.0	-79.87	402.06	6.35	-73.52
C[N@H+]1CCCC1CCC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029320412	1	55	0.0	-75.13	396.67	5.90	-69.23
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+](CCC1)C2	REAL300029320423	0	56	0.0	-75.40	388.28	5.92	-69.48
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1CCC2CCCC[N@@H+]21	REAL300029320430	0	56	0.0	-73.65	395.28	6.33	-67.32
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1CCC2CCCC[N@H+]21	REAL300029320430	1	56	0.0	-72.71	395.06	6.35	-66.36
O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029320450	0	58	0.0	-76.09	425.71	7.19	-68.90
C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029320452	1	55	0.0	-82.36	411.06	7.43	-74.93
C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029320452	1	55	0.0	-82.58	411.02	7.45	-75.13
C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029320463	0	52	0.0	-80.59	376.96	5.45	-75.14
C[NH+](C)CC1=CC(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)=NO1	REAL300029320504	1	51	0.0	-79.66	393.42	4.89	-74.77
CC1=C(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300029320505	0	50	0.0	-74.08	377.37	7.67	-66.41
C[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029320537	0	52	0.0	-74.27	364.93	5.17	-69.10
C[N@H+]1CCCCC1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029320537	1	52	0.0	-74.26	364.86	5.19	-69.07
CC(C)C[N@@H+]1CCCC1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029320560	0	58	0.0	-72.94	419.42	7.06	-65.88
CC(C)C[N@H+]1CCCC1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029320560	1	58	0.0	-74.30	400.18	6.56	-67.74
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CN2C=[NH+]C=C2C=C1	REAL300029320665	0	47	0.0	-75.22	363.45	7.32	-67.90
CC1=[NH+]C=CN1CCCC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029320674	1	53	0.0	-72.94	405.35	6.77	-66.17
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300029320679	0	55	0.0	-81.42	411.44	7.30	-74.12
O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029320680	1	53	0.0	-81.27	389.65	3.87	-77.40
CC1=C[NH+]=CN1CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029320711	1	47	0.0	-76.04	364.10	6.21	-69.83
O=C(CN1C=[NH+]C2=C1CCCC2)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029320717	1	54	0.0	-75.40	405.94	7.94	-67.46
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+]1CCC2	REAL300029320753	0	53	0.0	-73.75	372.32	5.63	-68.12
C[NH+](C)C1CCCC(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029320782	0	58	0.0	-70.29	404.76	6.41	-63.88
C[N@@H+]1CCC(CC(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029320785	0	52	0.0	-77.40	381.10	5.43	-71.97
C[N@H+]1CCC(CC(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029320785	1	52	0.0	-77.52	381.01	5.48	-72.04
CN(C)C1=CC=[NH+]C=C1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029320797	0	51	0.0	-81.54	384.10	4.61	-76.93
CCC(C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029320802	0	51	0.0	-74.62	367.74	5.06	-69.56
C[NH+](C)C1(CC(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029320816	0	58	0.0	-79.56	398.14	6.29	-73.27
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CC2=C[NH+]=CN2C=C1	REAL300029320860	1	47	0.0	-79.59	363.81	7.34	-72.25
C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029320918	0	54	0.0	-77.42	399.74	6.01	-71.41
CC(C)C(C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029320938	0	54	0.0	-75.85	374.67	5.26	-70.59
CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029320940	0	54	0.0	-79.00	395.94	5.82	-73.18
CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029320940	1	54	0.0	-78.93	395.93	5.84	-73.09
CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029320946	0	51	0.0	-77.66	373.53	5.27	-72.39
CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029320946	1	51	0.0	-77.74	373.53	5.26	-72.48
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C12CC[N@H+](C1)CCC2	REAL300029320970	0	53	0.0	-80.32	375.54	5.05	-75.27
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C12CC[N@@H+](C1)CCC2	REAL300029320970	1	53	0.0	-76.83	373.84	4.99	-71.84
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029321010	0	49	0.0	-77.04	354.36	4.40	-72.64
C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029321010	1	49	0.0	-73.98	360.65	4.76	-69.22
CCCCCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029321070	0	60	0.0	-78.92	438.12	7.61	-71.31
CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029321070	1	60	0.0	-79.02	438.04	7.62	-71.40
CC[NH+](CC)C(C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300029321075	0	60	0.0	-72.04	398.84	6.19	-65.85
CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029321084	0	51	0.0	-75.71	370.13	5.23	-70.48
CCC[N@@H+]1CCCC(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029321116	0	58	0.0	-75.30	416.26	6.79	-68.51
CCC[N@H+]1CCCC(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029321116	1	58	0.0	-75.55	416.11	6.80	-68.75
CC(C)[N@@H+]1CCOC(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029321133	1	56	0.0	-74.72	397.13	5.21	-69.51
CC(C)[N@H+]1CCOC(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029321133	1	56	0.0	-83.34	404.51	5.39	-77.95
CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029321165	0	55	0.0	-78.10	397.14	6.34	-71.76
C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029321193	0	56	0.0	-80.55	414.23	5.93	-74.62
C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029321207	0	52	0.0	-76.22	385.40	5.62	-70.60
CC1=[NH+]C=C2CCC(C(=O)N[C@H]3C[C@H]4CC[C@@H](C3)N4C(=O)C3=CC(=O)[N-]O3)CN21	REAL300029321208	1	54	0.0	-69.72	399.47	6.48	-63.24
CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029321283	0	58	0.0	-77.20	411.34	6.62	-70.58
C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029321304	0	52	0.0	-80.59	376.96	5.45	-75.14
CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029321322	0	54	0.0	-73.52	379.65	5.42	-68.10
CCC(C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300029321353	0	57	0.0	-69.64	396.87	6.16	-63.48
CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029321415	0	51	0.0	-78.19	374.44	5.07	-73.12
CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029321415	1	51	0.0	-78.16	374.47	5.09	-73.07
CC1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029321471	0	52	0.0	-73.83	373.27	5.23	-68.60
CC1CCC[N@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029321471	1	52	0.0	-74.59	379.75	5.64	-68.95
CC1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029321473	0	52	0.0	-76.67	379.67	5.55	-71.12
CC1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029321473	1	52	0.0	-76.71	379.65	5.54	-71.17
CC1=[NH+]C=C2CC(C(=O)N[C@H]3C[C@H]4CC[C@@H](C3)N4C(=O)C3=CC(=O)[N-]O3)CCN21	REAL300029321475	1	54	0.0	-73.64	402.21	6.54	-67.10
CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029321478	0	55	0.0	-77.16	399.61	6.09	-71.07
CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029321478	1	55	0.0	-76.89	399.56	6.11	-70.78
C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029321479	0	57	0.0	-77.50	402.90	6.27	-71.23
C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029321479	1	57	0.0	-77.19	404.57	6.41	-70.78
CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029321488	0	51	0.0	-74.47	367.27	4.99	-69.48
C[NH+]1CCC(O)(CC(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029321667	0	56	0.0	-77.71	404.91	4.15	-73.56
C[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029321679	0	45	0.0	-77.99	334.64	3.82	-74.17
O=C(C[NH+]1CCC(CO)CC1)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029321683	0	56	0.0	-81.11	407.78	3.03	-78.08
O=C(C[NH+]1CCCCCC1)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029321685	0	55	0.0	-77.07	385.46	5.92	-71.15
CN1C=C[N+](CC(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029321689	0	47	0.0	-74.65	365.57	7.38	-67.27
C[N@@H+]1CCCC(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029321696	0	52	0.0	-76.77	377.04	5.39	-71.38
C[N@H+]1CCCC(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029321696	1	52	0.0	-76.52	377.18	5.39	-71.13
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1CCC[N@@H+]1C1CC1	REAL300029321701	0	53	0.0	-71.64	392.19	6.28	-65.36
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1CCC[N@H+]1C1CC1	REAL300029321701	1	53	0.0	-72.09	389.15	6.07	-66.02
CC(C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300029321730	1	49	0.0	-73.75	360.57	4.87	-68.88
CCC(CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029321736	0	57	0.0	-77.51	405.44	6.35	-71.16
C[NH+](C)CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029321743	0	54	0.0	-70.96	379.11	5.39	-65.57
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C12CC(C1)C[N@@H+]2C1CC1	REAL300029321761	0	54	0.0	-76.73	380.58	5.49	-71.24
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C12CC(C1)C[N@H+]2C1CC1	REAL300029321761	1	54	0.0	-73.96	383.62	6.40	-67.56
O=C(C[NH+]1CCC(O)CC1)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029321772	1	53	0.0	-81.43	387.18	2.38	-79.05
C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029321773	0	49	0.0	-74.40	363.61	5.28	-69.12
C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029321773	1	49	0.0	-74.96	363.77	5.28	-69.68
CC(C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300029321774	1	57	0.0	-74.58	407.25	3.64	-70.94
C[NH+]1CC(CC(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029321793	0	49	0.0	-77.53	366.03	4.66	-72.87
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1CC[N@@H+]1C1CCCC1	REAL300029321797	0	56	0.0	-75.54	398.15	6.35	-69.19
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1CC[N@H+]1C1CCCC1	REAL300029321797	1	56	0.0	-76.64	405.01	6.65	-69.99
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029321805	0	55	0.0	-73.09	395.98	5.58	-67.51
CC(C)(C)[N@H+]1CCC1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029321805	1	55	0.0	-77.33	370.72	4.38	-72.95
C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029321816	0	48	0.0	-74.67	352.23	4.27	-70.40
CCC1CCC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029321858	0	58	0.0	-78.00	408.35	6.94	-71.06
CCC1CCC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029321858	1	58	0.0	-77.95	415.34	6.99	-70.96
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)N1	REAL300029321866	0	53	0.0	-84.54	401.17	5.27	-79.27
[NH2+]=C1SC=CN1CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029321911	0	45	0.0	-73.13	361.36	4.05	-69.08
C[N@H+](CCO)CCC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029321921	0	52	0.0	-77.59	384.78	1.87	-75.72
C[N@@H+](CCO)CCC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029321921	1	52	0.0	-77.39	384.95	1.88	-75.51
C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029321922	0	48	0.0	-74.67	352.23	4.27	-70.40
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029321926	0	52	0.0	-73.55	364.91	5.18	-68.37
C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029321926	1	52	0.0	-72.54	376.31	5.47	-67.07
CC1CN2CC[N@@H+]1CC2C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029321935	0	55	0.0	-82.43	385.08	2.71	-79.72
CC1CN2CC[N@H+]1CC2C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029321935	1	55	0.0	-82.56	383.30	2.61	-79.95
O=C(CC1=CC2=C[NH+]=CN2C=C1)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029321981	0	50	0.0	-74.16	388.71	8.04	-66.12
C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029322006	0	53	0.0	-83.27	393.74	6.09	-77.18
C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029322006	1	53	0.0	-83.06	393.57	6.11	-76.95
O=C(C[NH+]1CCC1)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322007	1	46	0.0	-77.43	344.50	4.28	-73.15
C[NH+](C)CC1=CC(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)=CC=N1	REAL300029322037	1	54	0.0	-74.14	407.72	5.48	-68.66
C[N@@H+]1CCC(=CC(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029322039	0	50	0.0	-78.63	372.30	5.42	-73.21
C[N@H+]1CCC(=CC(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029322039	1	50	0.0	-78.64	372.29	5.44	-73.20
C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322073	0	52	0.0	-75.46	390.22	4.91	-70.55
CCCCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322079	0	60	0.0	-79.91	438.95	7.37	-72.54
CCCCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322079	1	60	0.0	-79.83	438.92	7.37	-72.46
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)O1	REAL300029322088	0	56	0.0	-75.26	412.96	5.79	-69.47
C=CCC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029322095	0	55	0.0	-75.27	383.05	5.58	-69.69
C[S+](C)CCC(O)C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322100	0	51	0.0	-82.14	397.22	3.40	-78.74
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322127	0	53	0.0	-76.82	377.62	1.69	-75.13
CN1CC[N@H+](C)CC(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029322139	0	57	0.0	-73.41	401.94	3.84	-69.57
CN1CC[N@@H+](C)CC(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029322139	1	57	0.0	-73.41	401.94	3.84	-69.57
CC(C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300029322140	0	56	0.0	-75.44	403.08	2.99	-72.45
C[N@@H+]1CCCC(O)(CC(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029322159	0	56	0.0	-75.69	392.09	4.10	-71.59
C[N@H+]1CCCC(O)(CC(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029322159	1	56	0.0	-75.69	392.09	4.10	-71.59
CC1CN(CC(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029322162	0	49	0.0	-78.07	364.38	5.02	-73.05
CC1C[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029322162	1	49	0.0	-78.07	364.38	5.02	-73.05
CN(CCO)CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322189	0	49	0.0	-78.28	362.39	1.29	-76.99
C[N@H+](CCO)CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322189	1	49	0.0	-77.41	362.25	1.30	-76.11
C[N@@H+](CCO)CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322189	1	49	0.0	-77.41	362.25	1.30	-76.11
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1C[N@@H+]2CCN1CCC2	REAL300029322212	0	55	0.0	-86.54	378.78	3.54	-83.00
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1C[N@H+]2CCN1CCC2	REAL300029322212	1	55	0.0	-86.54	378.78	3.54	-83.00
CC[N@@H+]1CCCC(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029322218	0	55	0.0	-69.46	388.19	6.23	-63.23
CC[N@H+]1CCCC(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029322218	1	55	0.0	-69.46	388.19	6.23	-63.23
CC(CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029322220	0	54	0.0	-77.29	391.59	5.86	-71.43
CC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322233	0	48	0.0	-77.35	352.04	4.52	-72.83
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C12CCC[N@@H+]1CCCC2	REAL300029322261	0	56	0.0	-70.18	385.87	6.25	-63.93
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C12CCC[N@H+]1CCCC2	REAL300029322261	1	56	0.0	-70.18	385.87	6.25	-63.93
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C12CCC[N@@H+]1CC=CC2	REAL300029322268	0	54	0.0	-70.01	381.37	6.14	-63.87
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C12CCC[N@H+]1CC=CC2	REAL300029322268	1	54	0.0	-70.01	381.37	6.14	-63.87
CC[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029322289	0	52	0.0	-76.06	375.80	5.77	-70.29
CC[NH+](CC)CCC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322307	0	54	0.0	-77.57	388.02	5.49	-72.08
CC1(C)CN(CC(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029322332	0	52	0.0	-77.49	384.68	5.43	-72.06
CC1(C)C[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029322332	1	52	0.0	-77.49	384.68	5.43	-72.06
CC1(O)CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029322360	0	53	0.0	-76.62	390.34	2.27	-74.35
C[NH+](C)CC=CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322367	0	49	0.0	-79.41	371.57	5.12	-74.29
CC(OCC[NH+](C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322389	0	55	0.0	-75.15	407.16	5.51	-69.64
C[NH+](C)CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322398	0	55	0.0	-74.58	411.25	4.67	-69.91
COCCN(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322399	0	52	0.0	-77.14	384.64	3.71	-73.43
COCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322399	1	52	0.0	-78.63	384.64	3.69	-74.94
COCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322399	1	52	0.0	-78.63	384.64	3.69	-74.94
C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029322435	0	55	0.0	-77.36	380.12	5.80	-71.56
CC(CCC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029322438	0	54	0.0	-75.45	391.68	5.56	-69.89
CCN1CCC1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322447	0	49	0.0	-74.76	359.24	4.58	-70.18
CC[N@@H+]1CCC1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322447	1	49	0.0	-75.77	365.99	4.90	-70.87
CC[N@H+]1CCC1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322447	1	49	0.0	-75.77	365.99	4.90	-70.87
CC(C)[N@@H+]1CCCC(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029322457	0	58	0.0	-68.54	404.66	6.77	-61.77
CC(C)[N@H+]1CCCC(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029322457	1	58	0.0	-68.54	404.66	6.77	-61.77
O=C(C[N@H+]1CCCC1CO)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322470	0	53	0.0	-76.77	387.36	2.42	-74.35
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@@H+]2C1	REAL300029322492	0	56	0.0	-73.18	401.53	6.59	-66.59
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@H+]2C1	REAL300029322492	1	56	0.0	-73.18	401.53	6.59	-66.59
C[NH+]1CCC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029322498	0	55	0.0	-75.74	387.31	5.73	-70.01
C=CCC(C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029322528	0	52	0.0	-75.10	381.33	5.51	-69.59
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322541	0	55	0.0	-74.19	400.53	5.97	-68.22
C[NH+](C)CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322545	0	57	0.0	-76.31	421.55	6.79	-69.52
CC1C[N@@H+]2CCN1C(C(=O)N[C@H]1C[C@H]3CC[C@@H](C1)N3C(=O)C1=CC(=O)[N-]O1)C2	REAL300029322580	0	55	0.0	-81.67	385.30	2.83	-78.84
CCCC(C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029322581	0	54	0.0	-76.34	389.26	5.77	-70.57
C[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322585	0	51	0.0	-76.10	357.83	4.79	-71.31
C[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322627	0	52	0.0	-74.26	364.86	5.19	-69.07
C[N@H+]1CC=C(CC(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029322667	0	53	0.0	-72.50	393.51	6.19	-66.31
C[N@@H+]1CC=C(CC(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029322667	1	53	0.0	-72.50	393.51	6.19	-66.31
O=C(CC1([NH+]2CCCC2)CC1)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322676	0	56	0.0	-73.55	400.42	6.60	-66.95
CN(C)CC1=CC=C(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)O1	REAL300029322725	0	52	0.0	-80.15	399.24	5.68	-74.47
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)O1	REAL300029322725	1	52	0.0	-80.15	399.24	5.68	-74.47
O=C(C=CC[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322742	0	53	0.0	-78.30	396.65	6.29	-72.01
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1CC[NH+](C2CC2)CC1	REAL300029322766	0	56	0.0	-77.94	406.30	6.86	-71.08
O=C(CC[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322789	0	52	0.0	-77.87	381.69	5.52	-72.35
C[N@@H+]1CC2CC1(C(=O)N[C@H]1C[C@H]3CC[C@@H](C1)N3C(=O)C1=CC(=O)[N-]O1)C2	REAL300029322837	0	50	0.0	-77.69	351.15	4.41	-73.28
O=C(C[N@@H+]1CC2CCC1C2)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322851	0	53	0.0	-75.39	380.99	5.96	-69.43
O=C(C[N@H+]1CC2CCC1C2)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322851	1	53	0.0	-75.49	380.91	5.97	-69.52
O=C(C=C1C[NH+]2CCC1CC2)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322892	0	54	0.0	-71.24	390.83	6.28	-64.96
O=C(C[N@@H+]1CC2C=CC1C2)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322902	1	51	0.0	-75.82	373.58	5.84	-69.98
O=C(C[N@H+]1CC2C=CC1C2)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322902	1	51	0.0	-73.53	373.43	5.74	-67.79
CC[NH+]1CCN(CC(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029322934	0	57	0.0	-74.55	410.57	4.00	-70.55
CC(C[NH+](C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322954	0	51	0.0	-70.75	370.85	5.12	-65.63
C[N@@H+]1CCCCC1CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029323032	0	55	0.0	-78.89	393.64	6.04	-72.85
C[N@H+]1CCCCC1CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029323032	1	55	0.0	-69.70	386.45	5.92	-63.78
CC1=C2C=C(C(=O)N[C@H]3C[C@H]4CC[C@@H](C3)N4C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029323048	1	50	0.0	-77.58	385.71	7.89	-69.69
CC(C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300029323049	1	52	0.0	-74.36	380.44	5.49	-68.87
CC1CC[N@@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029323052	1	49	0.0	-76.18	365.70	4.94	-71.24
CC1CC[N@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029323052	1	49	0.0	-74.98	360.36	4.64	-70.34
C[NH+](C)CC(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029323057	0	52	0.0	-80.93	386.88	2.86	-78.07
CC1C[N@H+](C)CC(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)O1	REAL300029323085	1	53	0.0	-82.33	383.72	4.80	-77.53
CC1C[N@@H+](C)CC(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)O1	REAL300029323085	1	53	0.0	-86.87	383.77	4.54	-82.33
O=C(CC[NH+]1CCC(O)CC1)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029323094	0	56	0.0	-81.39	409.48	2.95	-78.44
CCC[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029323096	0	58	0.0	-73.39	404.18	6.58	-66.81
CCC[N@H+]1CCCCC1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029323096	1	58	0.0	-73.60	404.18	6.58	-67.02
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029323175	0	52	0.0	-75.56	384.01	5.58	-69.98
CC(CC[NH+](C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029323183	0	54	0.0	-76.45	392.63	5.61	-70.84
C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029323204	0	56	0.0	-72.43	405.11	3.26	-69.17
C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029323204	1	56	0.0	-75.20	404.97	3.25	-71.95
C#CC[N@H+]1CCCCC1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029323213	1	54	0.0	-74.12	390.20	6.38	-67.74
C#CC[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029323213	1	54	0.0	-74.07	390.16	6.37	-67.70
C[NH+]1CCN(CC(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029323216	1	54	0.0	-75.60	393.32	3.36	-72.24
CC[NH+]1CCN(CC(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029323225	0	57	0.0	-74.55	410.57	4.00	-70.55
NC(=[NH2+])SCC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029323251	0	43	0.0	-78.25	342.32	0.80	-77.45
CC[N@@H+]1CCOCC1CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029323288	0	56	0.0	-80.63	402.47	4.31	-76.32
C[NH+](C)C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029323304	0	58	0.0	-78.82	411.15	6.56	-72.26
C[NH+](C)CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029323305	0	55	0.0	-77.04	407.71	6.38	-70.66
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029323307	0	58	0.0	-69.78	404.48	6.46	-63.32
C[N@@H+]1CC=CCC1CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029323308	0	53	0.0	-71.70	380.73	5.88	-65.82
C[N@H+]1CC=CCC1CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029323308	1	53	0.0	-71.70	380.73	5.88	-65.82
C[C@@H](OCC[NH+](C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029323331	0	55	0.0	-73.55	408.05	5.49	-68.06
C[NH+]1C2CCC1CC(C(=O)N[C@H]1C[C@H]3CC[C@@H](C1)N3C(=O)C1=CC(=O)[N-]O1)C2	REAL300029323359	0	56	0.0	-77.13	392.53	6.04	-71.09
CC(C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300029323469	1	53	0.0	-77.75	386.14	5.64	-72.11
CCC1C[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029323471	1	52	0.0	-78.39	387.04	5.75	-72.64
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1([NH+]2CCCC2)CCC1	REAL300029323473	0	56	0.0	-73.80	379.44	5.92	-67.88
C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029323482	1	49	0.0	-75.22	354.37	4.41	-70.81
O=C(CC[N@@H+]1CCC(F)C1)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029323489	1	52	0.0	-82.90	388.75	5.66	-77.24
COC1C[N@@H+](C)C(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029323497	1	56	0.0	-77.63	399.15	4.00	-73.63
O=C(CC[NH+]1CCCCCC1)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029323506	0	58	0.0	-79.60	408.40	6.49	-73.11
O=C(C[NH+]1CCCCC1)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029323508	0	52	0.0	-77.20	376.08	5.74	-71.46
CC1C(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029323518	0	52	0.0	-76.03	375.96	5.24	-70.79
CC1C(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029323518	1	52	0.0	-77.54	374.97	5.31	-72.23
C[N@@H+]1CCCCC1CCC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029323520	0	58	0.0	-74.81	415.72	6.79	-68.02
C[N@H+]1CCCCC1CCC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029323520	1	58	0.0	-79.06	408.47	6.60	-72.46
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1CC[N@@H+]2CCOCC12	REAL300029323550	0	54	0.0	-80.70	392.50	4.12	-76.58
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1CC[N@H+]2CCOCC12	REAL300029323550	1	54	0.0	-79.41	393.33	4.17	-75.24
CC1=[NH+]C=C2C=CC(C(=O)N[C@H]3C[C@H]4CC[C@@H](C3)N4C(=O)C3=CC(=O)[N-]O3)=CN21	REAL300029323555	0	50	0.0	-71.49	384.89	7.09	-64.40
CN1CCOCC1CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029323572	0	53	0.0	-82.84	385.20	3.70	-79.14
C[N@@H+]1CCOCC1CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029323572	1	53	0.0	-82.76	385.15	3.68	-79.08
C[N@H+]1CCOCC1CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029323572	1	53	0.0	-82.84	385.20	3.70	-79.14
CC1=C(C)[NH+]=C(CCC(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)N1	REAL300029323580	1	53	0.0	-71.36	404.57	5.16	-66.20
C[N@@H+]1CCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029323752	0	49	0.0	-70.96	356.21	4.46	-66.50
C[N@H+]1CCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029323752	1	49	0.0	-71.09	355.97	4.47	-66.62
CC1=[NH+]C=CN1CCCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029323940	1	53	0.0	-69.47	408.68	6.92	-62.55
C[NH+](C)CC1=CC=C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C=C1	REAL300029323945	0	55	0.0	-78.30	411.12	6.99	-71.31
O=C(CC[NH+]1CCOCC1)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029323946	1	53	0.0	-76.70	393.15	4.02	-72.68
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2)C1=CC(=O)[N-]O1	REAL300029323971	0	53	0.0	-65.84	373.28	5.26	-60.58
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC(=O)[N-]O1	REAL300029323981	1	47	0.0	-74.59	372.44	7.36	-67.23
C[NH+](C)C1CCCC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029324041	0	58	0.0	-66.75	403.49	6.27	-60.48
C[N@@H+]1CCC(CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029324044	0	52	0.0	-73.60	383.96	5.61	-67.99
C[N@H+]1CCC(CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029324044	1	52	0.0	-73.54	384.15	5.59	-67.95
CN(C)C1=CC=[NH+]C=C1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029324056	0	51	0.0	-76.41	384.13	3.89	-72.52
CCC(C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029324061	0	51	0.0	-70.01	366.19	5.00	-65.01
C[NH+](C)CCCCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029324128	0	54	0.0	-73.56	403.48	6.16	-67.40
CC(C)C(C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029324150	0	54	0.0	-68.12	379.77	5.42	-62.70
CCC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029324152	0	54	0.0	-74.66	399.33	5.97	-68.69
CCC[N@@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029324152	1	54	0.0	-74.70	399.53	5.94	-68.76
CCC[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029324158	0	51	0.0	-72.24	377.35	5.40	-66.84
CCC[N@@H+](C)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029324158	1	51	0.0	-72.56	377.14	5.37	-67.19
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CC[N@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300029324182	0	53	0.0	-76.12	369.86	4.80	-71.32
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CC[N@@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300029324182	1	53	0.0	-72.81	368.31	4.71	-68.10
CCCCCC[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029324218	0	60	0.0	-73.49	441.85	7.74	-65.75
CCCCCC[N@@H+](C)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029324218	1	60	0.0	-73.85	441.64	7.72	-66.13
CC[NH+](CC)C(C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)C(C)C	REAL300029324223	0	60	0.0	-65.07	415.26	6.40	-58.67
CC1CC[NH+](CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029324256	0	55	0.0	-72.78	400.31	6.46	-66.32
C[NH+]1CCC(OCC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029324284	0	56	0.0	-77.03	417.66	6.14	-70.89
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC2CCCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300029324329	0	56	0.0	-70.39	402.65	6.55	-63.84
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC2CCCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300029324329	1	56	0.0	-68.99	400.99	6.56	-62.43
C[NH+](C)CC1(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029324340	0	52	0.0	-69.98	387.06	5.57	-64.41
CC1=[NH+]C=C2CCC(C(=O)N3[C@@H]4CC[C@H]3C[C@@H](NC(=O)C3=CC(=O)[N-]O3)C4)CN21	REAL300029324341	1	54	0.0	-66.08	405.91	6.57	-59.51
CC(C)[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029324352	0	58	0.0	-73.59	406.58	6.22	-67.37
CC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029324377	0	51	0.0	-73.94	377.84	5.22	-68.72
CC[N@@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029324377	1	51	0.0	-73.92	377.83	5.21	-68.71
CC(C)(C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCC1	REAL300029324403	0	58	0.0	-66.12	393.16	6.04	-60.08
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1C[NH+]2CCC1CC2)C1=CC(=O)[N-]O1	REAL300029324413	0	53	0.0	-77.72	372.22	5.43	-72.29
C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029324493	0	52	0.0	-75.54	382.33	5.52	-70.02
CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029324511	0	54	0.0	-70.31	380.01	5.33	-64.98
CC[NH+](CC)CC(F)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029324606	0	54	0.0	-73.04	392.79	5.53	-67.51
CC(C)C[N@@H+]1CCC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029324641	0	58	0.0	-72.13	418.93	6.81	-65.32
CC(C)C[N@H+]1CCC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029324641	1	58	0.0	-73.06	419.81	6.76	-66.30
C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)CCC1	REAL300029324645	0	52	0.0	-71.18	361.69	4.74	-66.44
CCC(C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](CC)CC	REAL300029324676	0	57	0.0	-69.07	397.30	6.36	-62.71
CC1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029324696	0	52	0.0	-69.32	383.42	5.77	-63.55
CC1CCC[N@H+]1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029324696	1	52	0.0	-68.65	376.38	5.35	-63.30
CC(C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCCC1	REAL300029324766	0	58	0.0	-66.98	400.64	6.14	-60.84
CC(C)[N@@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029324768	0	58	0.0	-65.59	398.60	6.10	-59.49
CC(C)[N@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029324768	1	58	0.0	-65.83	401.42	6.15	-59.68
CC(C)[N@@H+]1CCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029324789	0	55	0.0	-68.28	387.91	6.36	-61.92
CC(C)[N@H+]1CCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029324789	1	55	0.0	-66.91	390.69	5.79	-61.12
CC(C)[N@@H+]1CCCC1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029324795	0	58	0.0	-65.14	407.65	6.54	-58.60
CC(C)[N@H+]1CCCC1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029324795	1	58	0.0	-66.13	409.68	6.51	-59.62
CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029324810	0	54	0.0	-68.88	380.21	5.44	-63.44
CC1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029324831	0	52	0.0	-71.35	383.11	5.66	-65.69
CC1CC[N@@H+](CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029324831	1	52	0.0	-71.58	384.06	5.72	-65.86
CC1=[NH+]C=C2CC(C(=O)N3[C@@H]4CC[C@H]3C[C@@H](NC(=O)C3=CC(=O)[N-]O3)C4)CCN21	REAL300029324833	1	54	0.0	-69.07	399.70	6.37	-62.70
CC1(C)CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029324836	0	55	0.0	-71.65	403.22	6.20	-65.45
CC1(C)CC[N@@H+](CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029324836	1	55	0.0	-71.48	402.64	6.22	-65.26
C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300029324837	0	57	0.0	-71.93	406.72	6.40	-65.53
C[N@@H+](CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300029324837	1	57	0.0	-71.99	407.98	6.55	-65.44
CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029324846	0	51	0.0	-70.23	366.95	5.04	-65.19
CN(CCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)C1=CC=[NH+]C=C1	REAL300029324973	0	54	0.0	-68.42	412.45	5.66	-62.76
CC1=[NH+]C=CN1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029325057	1	47	0.0	-68.13	367.55	5.60	-62.53
CC(C[NH+]1CCOCC1)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029325059	1	56	0.0	-69.46	404.89	4.55	-64.91
O=C(CCC[NH+]1CCCCC1)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029325076	0	58	0.0	-72.81	423.25	7.23	-65.58
C[NH+](C)CC1=CC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)=NO1	REAL300029325094	1	51	0.0	-77.15	392.80	5.16	-71.99
CC1=C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C=CC2=C[NH+]=CN21	REAL300029325095	0	50	0.0	-72.07	388.23	7.50	-64.57
CC(C)C1=[NH+]C=CN1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029325130	1	53	0.0	-66.64	403.87	6.72	-59.92
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCCC2CCC[N@@H+]21)C1=CC(=O)[N-]O1	REAL300029325166	0	56	0.0	-64.20	395.92	6.42	-57.78
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCCC2CCC[N@H+]21)C1=CC(=O)[N-]O1	REAL300029325166	1	56	0.0	-67.08	387.19	6.00	-61.08
CC[N@@H+]1CCOC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029325188	1	53	0.0	-72.60	382.27	4.75	-67.85
CC[N@H+]1CCOC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029325188	1	53	0.0	-79.94	386.45	4.83	-75.11
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC(=O)[N-]O1	REAL300029325241	0	47	0.0	-71.75	361.97	7.00	-64.75
CC1=C[NH+]=CN1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029325246	1	47	0.0	-71.05	367.88	6.33	-64.72
C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029325262	0	52	0.0	-75.22	373.30	4.91	-70.31
C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029325262	1	52	0.0	-72.53	378.64	5.56	-66.97
CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029325267	0	55	0.0	-72.96	390.41	5.51	-67.45
CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029325267	1	55	0.0	-73.20	395.24	5.91	-67.29
CC1CCC(C)[NH+]1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029325280	0	55	0.0	-70.09	385.38	5.57	-64.52
O=C(CCC[NH+]1CCCC1)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029325286	0	55	0.0	-72.51	406.54	6.47	-66.04
C[NH+](C)CC1=CC=CC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029325287	0	55	0.0	-79.35	410.06	6.97	-72.38
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029325293	0	54	0.0	-77.30	401.08	6.47	-70.83
O=C(CC[NH+]1CCCCC1)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029325294	0	55	0.0	-73.28	401.75	6.44	-66.84
C[NH+](C)CC1=CC=CC=C1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029325298	0	55	0.0	-67.26	410.96	7.13	-60.13
CC[N@@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029325302	0	55	0.0	-67.74	385.30	5.74	-62.00
CC[N@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029325302	1	55	0.0	-67.02	396.33	6.15	-60.87
C[NH+](C)C(C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300029325305	1	55	0.0	-67.84	404.08	7.08	-60.76
O=C(CN1C=[NH+]C2=C1CCCC2)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029325310	1	54	0.0	-70.13	409.48	8.04	-62.09
C[NH+](C)C1(CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300029325346	0	58	0.0	-74.93	401.62	6.45	-68.48
C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300029325511	0	52	0.0	-69.69	384.21	5.96	-63.73
C[N@@H+](CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300029325511	1	52	0.0	-70.44	383.91	5.95	-64.49
CC(C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1C(C)CCC1C	REAL300029325536	0	58	0.0	-64.64	404.85	6.00	-58.64
O=C(CCCC[NH+]1CCCC1)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029325549	0	58	0.0	-72.35	429.21	7.33	-65.02
C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300029325551	1	55	0.0	-76.61	414.77	7.57	-69.04
C[N@@H+](CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300029325551	1	55	0.0	-77.03	414.50	7.56	-69.47
C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029325562	0	52	0.0	-75.54	382.33	5.52	-70.02
C[N@@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029325607	0	49	0.0	-71.23	355.92	4.47	-66.76
C[N@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029325607	1	49	0.0	-68.42	360.14	4.80	-63.62
C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029325631	1	51	0.0	-68.54	382.54	5.70	-62.84
C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029325631	1	51	0.0	-69.30	385.87	6.09	-63.21
C[N@@H+]1CCCC1CCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029325637	0	55	0.0	-71.37	399.27	6.01	-65.36
C[N@H+]1CCCC1CCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029325637	1	55	0.0	-71.24	399.79	6.03	-65.21
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2)C1=CC(=O)[N-]O1	REAL300029325648	0	56	0.0	-71.89	384.76	5.60	-66.29
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC2CCCC[N@@H+]21)C1=CC(=O)[N-]O1	REAL300029325655	0	56	0.0	-66.17	402.40	6.78	-59.39
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC2CCCC[N@H+]21)C1=CC(=O)[N-]O1	REAL300029325655	1	56	0.0	-66.25	399.86	6.63	-59.62
CCC[N@@H+]1CCCC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029325728	0	58	0.0	-71.32	414.97	6.62	-64.70
CCC[N@H+]1CCCC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029325728	1	58	0.0	-72.24	421.43	6.89	-65.35
CC(C)[N@@H+]1CCOC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029325745	1	56	0.0	-77.15	405.16	5.44	-71.71
CC(C)[N@H+]1CCOC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029325745	1	56	0.0	-71.02	389.90	4.96	-66.06
C[N@@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029325776	0	52	0.0	-67.81	376.88	5.49	-62.32
C[N@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029325776	1	52	0.0	-72.11	369.93	5.24	-66.87
CC(C)C[N@@H+]1CCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029325800	0	58	0.0	-68.61	414.98	6.58	-62.03
CC(C)C[N@H+]1CCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029325800	1	58	0.0	-68.16	418.85	7.00	-61.16
O=C(C[NH+]1CCC(CO)CC1)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029325815	0	56	0.0	-73.91	411.20	3.14	-70.77
CC1C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029325861	0	52	0.0	-73.81	370.21	5.00	-68.81
CC1C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029325861	1	52	0.0	-72.69	378.65	5.54	-67.15
C[N@@H+]1CCCCC1CCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029325863	0	58	0.0	-75.21	411.81	6.73	-68.48
C[N@H+]1CCCCC1CCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029325863	1	58	0.0	-70.82	419.09	6.93	-63.89
NC1=[NH+]C2=C(C=C1C(=O)N1[C@@H]3CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C3)CCC2	REAL300029325895	1	52	0.0	-62.16	388.08	4.62	-57.54
CC(C)(C)[N@@H+]1CCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029325959	0	55	0.0	-68.30	399.20	5.65	-62.65
CC(C)(C)[N@H+]1CCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029325959	1	55	0.0	-69.39	377.90	4.81	-64.58
C[C@@H](C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029325978	0	48	0.0	-70.38	355.49	4.33	-66.05
C[NH+](C)CC1=CC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)=CC=N1	REAL300029325992	1	54	0.0	-71.26	406.17	5.51	-65.75
C=CCC(C)(C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029325996	0	55	0.0	-64.34	382.08	5.38	-58.96
O=C(CC[NH+]1CCCC1)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326021	0	52	0.0	-73.31	386.06	5.73	-67.58
C[N@H+](CCO)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326031	1	49	0.0	-73.06	365.99	1.40	-71.66
C[N@@H+](CCO)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326031	1	49	0.0	-72.14	366.21	1.43	-70.71
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1C[N@@H+]2CCN1CCC2)C1=CC(=O)[N-]O1	REAL300029326069	0	55	0.0	-77.09	384.44	3.21	-73.88
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1C[N@H+]2CCN1CCC2)C1=CC(=O)[N-]O1	REAL300029326069	1	55	0.0	-76.77	384.75	3.20	-73.57
CC(C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCSCC1	REAL300029326091	1	53	0.0	-72.47	386.41	5.52	-66.95
C[N@H+]1CC=C(CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029326131	0	53	0.0	-70.84	396.90	6.33	-64.51
C[N@@H+]1CC=C(CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029326131	1	53	0.0	-69.24	396.85	6.33	-62.91
C[S+](C)CCC(O)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326146	0	51	0.0	-76.19	395.87	3.31	-72.88
C[N@@H+]1CC(O)CC1(C)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326165	0	53	0.0	-71.81	370.03	1.34	-70.47
C[N@H+]1CC(O)CC1(C)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326165	1	53	0.0	-69.77	376.36	1.43	-68.34
CN1CC[N@H+](C)CC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029326178	0	57	0.0	-69.95	408.79	3.88	-66.07
CN1CC[N@@H+](C)CC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029326178	1	57	0.0	-77.20	407.67	3.32	-73.88
CC(C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)[N@@H+]1CCCC(O)C1	REAL300029326179	0	56	0.0	-69.69	403.63	3.00	-66.69
CC(C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)[N@H+]1CCCC(O)C1	REAL300029326179	1	56	0.0	-70.75	405.80	2.81	-67.94
NC1=[NH+]C=C2CCCC2=C1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326206	0	52	0.0	-68.46	398.50	4.80	-63.66
C[N@@H+]1CCCC(O)(CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029326212	0	56	0.0	-67.65	398.32	4.16	-63.49
C[N@H+]1CCCC(O)(CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029326212	1	56	0.0	-71.56	395.49	4.28	-67.28
CC1C[NH+](CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029326217	1	49	0.0	-72.82	367.80	5.12	-67.70
CC[N@@H+]1CCCC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029326224	0	55	0.0	-65.66	387.17	6.05	-59.61
CC[N@H+]1CCCC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029326224	1	55	0.0	-70.76	393.50	5.90	-64.86
NC1=[NH+]C=CC=C1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326230	0	48	0.0	-67.99	371.97	3.79	-64.20
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC[N@@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300029326243	0	53	0.0	-66.36	391.63	6.32	-60.04
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC[N@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300029326243	1	53	0.0	-66.53	384.28	6.07	-60.46
O=C(C=CC[NH+]1CCCC1)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326286	0	53	0.0	-74.66	397.32	6.30	-68.36
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300029326309	0	56	0.0	-72.95	411.72	6.94	-66.01
CC[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326356	0	48	0.0	-72.11	355.64	4.63	-67.48
O=C(CN1CC2C=CC1C2)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326416	0	51	0.0	-68.33	376.85	5.86	-62.47
O=C(C[N@@H+]1CC2C=CC1C2)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326416	1	51	0.0	-70.24	377.09	5.93	-64.31
O=C(C[N@H+]1CC2C=CC1C2)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326416	1	51	0.0	-70.24	377.09	5.93	-64.31
CC1=CC=C(NCCC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)N=C1	REAL300029326438	0	54	0.0	-67.58	416.59	5.40	-62.18
CC1=CC=C(NCCC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)[NH+]=C1	REAL300029326438	1	54	0.0	-67.58	416.59	5.40	-62.18
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[N@@H+]1CCCC2)C1=CC(=O)[N-]O1	REAL300029326544	0	56	0.0	-65.44	383.52	5.55	-59.89
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[N@H+]1CCCC2)C1=CC(=O)[N-]O1	REAL300029326544	1	56	0.0	-65.44	383.52	5.55	-59.89
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[N@@H+]1CC=CC2)C1=CC(=O)[N-]O1	REAL300029326553	0	54	0.0	-64.54	378.45	5.60	-58.94
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[N@H+]1CC=CC2)C1=CC(=O)[N-]O1	REAL300029326553	1	54	0.0	-64.54	378.45	5.60	-58.94
CC(OCC[NH+](C)C)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326564	0	55	0.0	-71.49	407.33	5.46	-66.03
C[NH+](C)CCOCCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326574	0	55	0.0	-71.17	414.70	4.80	-66.37
COCCN(C)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326576	0	52	0.0	-71.91	388.46	3.84	-68.07
COCC[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326576	1	52	0.0	-73.28	388.24	3.80	-69.48
COCC[N@@H+](C)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326576	1	52	0.0	-73.28	388.24	3.80	-69.48
CC(CCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029326582	0	54	0.0	-71.77	395.09	5.75	-66.02
CC[N@H+](CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029326609	0	52	0.0	-69.28	383.63	6.00	-63.28
CC1C[N@@H+]2CCN1C(C(=O)N1[C@@H]3CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029326625	0	55	0.0	-71.39	377.96	4.40	-66.99
C[N@@H+]1CC2CC1(C(=O)N1[C@@H]3CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029326650	0	50	0.0	-71.66	357.85	4.94	-66.72
CC1=NC(N)=CC=C1C=CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326660	0	52	0.0	-70.45	401.48	4.64	-65.81
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326660	1	52	0.0	-70.45	401.48	4.64	-65.81
O=C(C[N@@H+]1CC2CCC1C2)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326667	0	53	0.0	-70.13	384.29	6.07	-64.06
O=C(C[N@H+]1CC2CCC1C2)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326667	1	53	0.0	-70.13	384.29	6.07	-64.06
CC(C[NH+](C)C)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326689	0	51	0.0	-73.06	369.74	4.89	-68.17
CC[N@@H+]1CCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326741	0	49	0.0	-69.53	360.70	4.58	-64.95
CC(C)[N@@H+]1CCCC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029326754	0	58	0.0	-70.21	416.58	6.69	-63.52
CC(C)[N@H+]1CCCC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029326754	1	58	0.0	-70.21	416.58	6.69	-63.52
CCC(C)(C)[NH2+]C(C)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326769	0	57	0.0	-67.76	395.13	4.20	-63.56
C#CCN1CCCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326813	0	54	0.0	-68.92	392.31	6.22	-62.70
C#CC[N@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326813	1	54	0.0	-67.60	402.00	6.68	-60.92
C#CC[N@@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326813	1	54	0.0	-67.60	402.00	6.68	-60.92
CNC1=NC(C)=CC=C1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326814	0	51	0.0	-63.92	383.78	4.52	-59.40
CNC1=[NH+]C(C)=CC=C1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326814	1	51	0.0	-63.92	383.78	4.52	-59.40
CCCC(C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029326824	0	54	0.0	-70.60	388.01	5.71	-64.89
C[NH+](C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326831	0	51	0.0	-70.57	353.84	4.34	-66.23
CC(CC[NH+](C)C)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326850	0	54	0.0	-72.92	394.42	5.59	-67.33
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CC(C1)C[N@@H+]2C1CC1)C1=CC(=O)[N-]O1	REAL300029326921	0	54	0.0	-65.95	387.86	5.94	-60.01
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CC(C1)C[N@H+]2C1CC1)C1=CC(=O)[N-]O1	REAL300029326921	1	54	0.0	-68.34	394.41	6.85	-61.49
C[N@@H+]1CC(C)(C)CC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326960	0	55	0.0	-69.61	395.93	5.62	-63.99
C[N@H+]1CC(C)(C)CC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326960	1	55	0.0	-69.50	396.47	5.54	-63.96
C[NH+](C)CCCCCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326965	0	57	0.0	-72.69	424.59	6.91	-65.78
O=C(CC[NH+]1CCC(O)CC1)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326969	0	56	0.0	-77.01	412.96	3.07	-73.94
CCC[N@@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326973	0	58	0.0	-67.31	416.50	6.85	-60.46
CCC[N@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326973	1	58	0.0	-68.51	406.12	6.41	-62.10
C[NH+]1CCN(CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029326983	1	54	0.0	-71.75	396.89	3.47	-68.28
CC1C[N@H+](C)CC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029327085	1	53	0.0	-81.10	383.24	4.90	-76.20
CC1C[N@@H+](C)CC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029327085	1	53	0.0	-80.93	383.64	4.89	-76.04
CCC1CCC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029327118	0	58	0.0	-72.51	411.90	7.06	-65.45
CCC1CCC[N@@H+](CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029327118	1	58	0.0	-72.64	411.71	7.05	-65.59
C[NH+](C)CC1=CC=C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300029327127	0	53	0.0	-78.91	399.36	5.57	-73.34
O=C(C[NH+]1CC2CC2C1)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029327142	0	50	0.0	-72.28	373.24	5.86	-66.42
O=C(CC1([NH+]2CCCC2)CC1)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029327155	0	56	0.0	-69.21	404.12	6.76	-62.45
C[N@@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029327194	0	52	0.0	-67.81	376.88	5.49	-62.32
C[N@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029327194	1	52	0.0	-72.11	369.93	5.24	-66.87
C[N@@H+]1CCC(=CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029327317	0	50	0.0	-75.21	374.31	5.53	-69.68
C[N@H+]1CCC(=CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029327317	1	50	0.0	-75.07	375.24	5.50	-69.57
O=C(CNC1=CC=[NH+]C=C1)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029327322	0	48	0.0	-71.25	373.45	3.25	-68.00
CC[NH+]1CCN(CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029327379	0	57	0.0	-70.25	414.25	4.12	-66.13
O=C(C=C1C[NH+]2CCC1CC2)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029327382	0	54	0.0	-67.98	392.73	6.33	-61.65
C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300029327420	0	55	0.0	-72.24	375.74	5.34	-66.90
C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300029327431	0	56	0.0	-67.33	408.21	3.37	-63.96
C[N@@H+](CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300029327431	1	56	0.0	-70.61	409.11	3.17	-67.44
CCC1C[NH+](CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029327437	0	52	0.0	-73.25	390.42	5.87	-67.38
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1([NH+]2CCCC2)CCC1)C1=CC(=O)[N-]O1	REAL300029327441	0	56	0.0	-68.16	390.40	6.00	-62.16
C[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029327455	0	49	0.0	-68.74	357.78	4.74	-64.00
C[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029327455	1	49	0.0	-70.16	356.19	4.48	-65.68
CCN1CCOCC1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029327486	0	56	0.0	-73.32	401.77	4.35	-68.97
CC[N@@H+]1CCOCC1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029327486	1	56	0.0	-76.03	405.89	4.42	-71.61
CC[N@H+]1CCOCC1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029327486	1	56	0.0	-76.03	405.89	4.42	-71.61
NC1=NC2=CC(C(=O)N3[C@@H]4CC[C@H]3C[C@@H](NC(=O)C3=CC(=O)[N-]O3)C4)=CC=C2N1	REAL300029327576	0	49	0.0	-70.51	376.11	4.74	-65.77
NC1=[NH+]C2=CC(C(=O)N3[C@@H]4CC[C@H]3C[C@@H](NC(=O)C3=CC(=O)[N-]O3)C4)=CC=C2N1	REAL300029327576	1	49	0.0	-70.51	376.11	4.74	-65.77
C[NH+](C)[C@H]1C[C@H](C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029327614	0	52	0.0	-73.02	385.70	5.65	-67.37
C[NH+](C)C1CCC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029327629	0	58	0.0	-68.70	403.30	6.25	-62.45
C[NH+](C)CCC1(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029327630	0	55	0.0	-73.32	409.58	6.35	-66.97
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029327632	0	58	0.0	-68.66	403.41	6.28	-62.38
C[N@@H+]1CC=CCC1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029327633	0	53	0.0	-66.41	383.95	5.99	-60.42
C[N@H+]1CC=CCC1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029327633	1	53	0.0	-66.41	383.95	5.99	-60.42
CC1=CC(C=CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)=CN=C1N	REAL300029327683	0	52	0.0	-73.41	401.83	4.95	-68.46
CC1=CC(C=CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)=C[NH+]=C1N	REAL300029327683	1	52	0.0	-73.41	401.83	4.95	-68.46
C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029327696	0	52	0.0	-71.28	393.63	5.10	-66.18
CCCCC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029327702	0	60	0.0	-75.56	442.32	7.50	-68.06
CCCCC[N@@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029327702	1	60	0.0	-75.56	442.32	7.50	-68.06
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029327714	0	56	0.0	-71.90	413.00	5.85	-66.05
[NH2+]=C1SC=CN1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029327739	0	45	0.0	-67.44	365.19	4.17	-63.27
C[C@@H](OCC[NH+](C)C)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029327813	0	55	0.0	-69.15	406.50	5.43	-63.72
O=C(CC[NH+]1CCCCCC1)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029327857	0	58	0.0	-75.26	411.76	6.63	-68.63
O=C(C[NH+]1CCCCC1)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029327861	0	52	0.0	-71.89	379.46	5.84	-66.05
C[N@@H+]1CCCC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029327863	0	52	0.0	-66.14	369.52	5.40	-60.74
C[N@H+]1CCCC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029327863	1	52	0.0	-66.15	369.46	5.39	-60.76
O=C(C[NH+]1CCC(CO)CC1)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029327864	0	56	0.0	-73.91	411.20	3.14	-70.77
O=C(C[NH+]1CCCCCC1)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029327867	0	55	0.0	-71.60	388.86	6.02	-65.58
CN1C=C[N+](CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029327872	0	47	0.0	-69.50	369.31	7.49	-62.01
C[NH+](C)CC1=CC=C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029327890	1	52	0.0	-76.29	398.82	5.82	-70.47
C[NH+](C)CC1=CC=C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C=N1	REAL300029327896	0	54	0.0	-75.35	407.44	5.47	-69.88
O=C(C[NH+]1CCC(O)CC1)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029327910	0	53	0.0	-77.19	390.89	2.49	-74.70
C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029327915	0	49	0.0	-69.32	367.14	5.38	-63.94
C[N@@H+](CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029327915	1	49	0.0	-69.22	367.00	5.38	-63.84
CC(C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)N1CC[NH+](C)CC1	REAL300029327917	1	57	0.0	-72.31	413.24	3.84	-68.47
O=C(CC[N@H+]1CCC(F)C1)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029327920	0	52	0.0	-77.25	392.00	5.81	-71.44
O=C(CC[N@@H+]1CCC(F)C1)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029327920	1	52	0.0	-77.97	392.20	5.76	-72.21
COC1C[N@H+](C)C(C)(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029327931	0	56	0.0	-69.25	392.08	3.62	-65.63
COC1C[N@@H+](C)C(C)(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029327931	1	56	0.0	-71.70	393.21	3.83	-67.87
CC(CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300029327951	0	54	0.0	-73.77	395.12	6.00	-67.77
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[N@@H+]2CCOCC12)C1=CC(=O)[N-]O1	REAL300029327967	0	54	0.0	-76.04	392.20	4.06	-71.98
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[N@H+]2CCOCC12)C1=CC(=O)[N-]O1	REAL300029327967	1	54	0.0	-76.19	390.60	4.00	-72.19
CC1=[NH+]C=C2C=CC(C(=O)N3[C@@H]4CC[C@H]3C[C@@H](NC(=O)C3=CC(=O)[N-]O3)C4)=CN21	REAL300029327972	0	50	0.0	-68.32	393.73	7.11	-61.21
C[N@@H+]1CCOCC1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029327989	1	53	0.0	-78.20	387.77	3.86	-74.34
C[N@H+]1CCOCC1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029327989	1	53	0.0	-68.47	380.86	3.68	-64.79
CC[NH+]1CCN(CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029327997	0	57	0.0	-70.25	414.25	4.12	-66.13
CC1=CC(N)=[NH+]C=C1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029328052	1	48	0.0	-70.64	363.51	3.09	-67.55
NC1=CC=C(CCC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C=[NH+]1	REAL300029328055	0	51	0.0	-70.55	396.76	4.50	-66.05
CC1(O)CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029328096	0	53	0.0	-72.55	394.28	2.39	-70.16
CC1(O)CC[N@@H+](CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029328096	1	53	0.0	-71.28	393.79	2.40	-68.88
C[NH+]1CC(CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029328131	0	49	0.0	-73.15	369.16	4.84	-68.31
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[N@@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300029328136	0	56	0.0	-69.74	402.18	6.43	-63.31
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[N@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300029328136	1	56	0.0	-71.59	408.72	6.73	-64.86
C[NH+](C)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029328144	0	45	0.0	-73.04	337.76	3.97	-69.07
C[N@H+](CCO)CCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029328173	0	52	0.0	-73.50	388.19	2.00	-71.50
C[N@@H+](CCO)CCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029328173	1	52	0.0	-73.25	388.32	1.99	-71.26
C[C@@H](C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029328174	0	48	0.0	-70.38	355.49	4.33	-66.05
C[N@@H+]1CCCCC1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029328196	0	55	0.0	-65.82	389.54	6.06	-59.76
C[N@H+]1CCCCC1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029328196	1	55	0.0	-74.62	396.69	6.19	-68.43
CC1=C2C=C(C(=O)N3[C@@H]4CC[C@H]3C[C@@H](NC(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300029328218	1	50	0.0	-72.14	394.34	7.91	-64.23
CC(C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CC(C)C1	REAL300029328219	0	52	0.0	-69.20	384.59	5.36	-63.84
CC1CC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029328223	0	49	0.0	-70.83	369.22	5.11	-65.72
CC1CC[N@H+]1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029328223	1	49	0.0	-71.09	369.06	5.06	-66.03
C[NH+](C)CC=CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029328237	0	49	0.0	-76.16	373.60	5.20	-70.96
CC1(C)C[NH+](CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029328250	1	52	0.0	-72.05	388.53	5.55	-66.50
CC1=C(C)[NH+]=C(CCC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300029328269	1	53	0.0	-67.12	407.98	5.29	-61.83
CC1=C2C=C(C(=O)N3[C@@H]4CC[C@H]3C[C@@H](NC(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300029328280	1	50	0.0	-72.14	394.34	7.91	-64.23
C[NH+](C)CCSCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029328290	0	52	0.0	-76.28	404.65	5.97	-70.31
O=C(C[N@H+]1CCCC1CO)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029328316	0	53	0.0	-70.81	391.97	2.48	-68.33
O=C(C[N@@H+]1CCCC1CO)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029328316	1	53	0.0	-68.46	383.67	2.51	-65.95
CC[NH+](CC)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029328320	0	51	0.0	-70.40	368.83	5.05	-65.35
C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300029328331	0	53	0.0	-77.95	397.13	6.23	-71.72
C[N@@H+](CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300029328331	1	53	0.0	-78.31	397.45	6.20	-72.11
O=C(C[NH+]1CCC1)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029328333	1	46	0.0	-72.29	348.41	4.46	-67.83
CC[NH+](CC)CCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029328384	0	54	0.0	-73.11	391.51	5.65	-67.46
C[NH+](C)CC1=CNC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029328451	0	53	0.0	-74.50	399.11	5.46	-69.04
CC(C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC(O)CC1	REAL300029328470	0	56	0.0	-71.91	396.59	2.44	-69.47
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC2COCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300029328476	0	54	0.0	-73.88	393.81	4.18	-69.70
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC2COCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300029328476	1	54	0.0	-73.89	393.58	4.15	-69.74
CC(C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300029328491	0	49	0.0	-69.40	355.98	4.50	-64.90
CCC(CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300029328498	0	57	0.0	-73.99	408.61	6.51	-67.48
NC1=CC=C(C=CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C=[NH+]1	REAL300029328505	0	49	0.0	-73.12	383.94	4.21	-68.91
C[NH+](C)CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029328506	0	54	0.0	-72.03	375.81	4.99	-67.04
C[N@@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029328570	0	52	0.0	-69.15	364.21	4.95	-64.20
C[N@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029328570	1	52	0.0	-67.81	376.94	5.46	-62.35
CC1CN2CC[N@@H+]1CC2C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029328585	0	55	0.0	-75.21	387.10	2.61	-72.60
CC1CN2CC[N@H+]1CC2C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029328585	1	55	0.0	-74.98	384.31	2.54	-72.44
C[NH+](C)CC(O)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029328606	0	52	0.0	-76.94	390.27	3.00	-73.94
C[NH+]1C2CCC1CC(C(=O)N1[C@@H]3CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029328609	0	56	0.0	-69.71	359.09	5.13	-64.58
C=CCC(C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029328642	0	52	0.0	-68.15	375.15	5.27	-62.88
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC2CCCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300029328652	0	56	0.0	-70.39	402.65	6.55	-63.84
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC2CCCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300029328652	1	56	0.0	-68.99	400.99	6.56	-62.43
C[NH+]1CCC(C)(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029328663	0	55	0.0	-69.61	383.37	5.43	-64.18
C[NH+]1CCC(O)(CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029328665	0	56	0.0	-73.45	408.07	4.33	-69.12
CC1=C2C=C(C(=O)N[C@H]3C[C@H]4CC[C@@H](C3)N4C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029328747	1	50	0.0	-77.58	385.71	7.89	-69.69
C[NH+](C)CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029328756	0	52	0.0	-80.13	401.24	5.80	-74.33
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1CC2COCC[N@@H+]2C1	REAL300029328764	0	54	0.0	-78.78	393.24	4.15	-74.63
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1CC2COCC[N@H+]2C1	REAL300029328764	1	54	0.0	-78.58	391.71	4.16	-74.42
C[N@@H+]1CCCC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300029328929	0	53	0.0	-68.18	387.92	3.56	-64.62
C[N@H+]1CCCC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300029328929	1	53	0.0	-70.26	384.85	3.28	-66.98
C[N@@H+]1CCOC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)CCO3)C2)C1	REAL300029328953	1	54	0.0	-58.84	388.64	2.69	-56.15
C[N@H+]1CCOC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)CCO3)C2)C1	REAL300029328953	1	54	0.0	-86.32	398.01	2.98	-83.34
CC1=[NH+]C=CN1CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029329093	1	51	0.0	-68.02	394.97	4.46	-63.56
C[C@@H]1[C@H](C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)CCO3)C2)CC[N@@H+]1C	REAL300029329113	0	56	0.0	-74.86	399.58	4.09	-70.77
C[C@@H]1[C@H](C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)CCO3)C2)CC[N@H+]1C	REAL300029329113	1	56	0.0	-73.77	407.55	4.00	-69.77
C[NH+](C)C1(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)CCO3)C2)CCC1	REAL300029329134	0	56	0.0	-73.90	388.67	3.56	-70.34
CC(C)[C@@H](C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1)[NH+](C)C	REAL300029329136	0	58	0.0	-68.18	408.90	4.38	-63.80
C[N@H+](CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1CCC1	REAL300029329147	0	56	0.0	-67.66	411.01	4.62	-63.04
C[N@@H+](CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1CCC1	REAL300029329147	1	56	0.0	-69.19	412.77	4.85	-64.34
C[NH+]1CCC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)CCO3)C2)CC1	REAL300029329174	0	56	0.0	-78.63	409.40	4.21	-74.42
C[N@@H+]1CCCCC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300029329181	0	56	0.0	-68.45	394.40	3.85	-64.60
C[N@H+]1CCCCC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300029329181	1	56	0.0	-68.58	394.64	3.73	-64.85
CC1=C[NH+]=CN1CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029329199	1	51	0.0	-69.40	394.67	4.98	-64.42
C[N@@H+]1CCC(CC(=O)N2CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300029329209	0	56	0.0	-74.40	413.06	4.52	-69.88
C[N@H+]1CCC(CC(=O)N2CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300029329209	1	56	0.0	-74.26	412.92	4.51	-69.75
CCC(C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1)[NH+](C)C	REAL300029329212	0	55	0.0	-66.77	393.18	3.67	-63.10
C[NH+](C)CCCCC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029329227	0	58	0.0	-76.12	430.57	4.94	-71.18
CC(C)C(C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1)[NH+](C)C	REAL300029329232	0	58	0.0	-67.78	406.73	4.18	-63.60
CCC[N@H+](C)CCC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029329233	0	58	0.0	-74.64	426.79	4.75	-69.89
CCC[N@@H+](C)CCC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029329233	1	58	0.0	-74.62	426.87	4.78	-69.84
CCC[N@H+](C)CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029329234	0	55	0.0	-71.45	405.80	4.30	-67.15
CCC[N@@H+](C)CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029329234	1	55	0.0	-70.30	404.12	4.05	-66.25
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300029329249	0	53	0.0	-69.39	385.09	3.27	-66.12
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300029329249	1	53	0.0	-67.51	389.76	3.61	-63.90
CC[NH+](CC)CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029329261	0	55	0.0	-68.45	396.47	3.73	-64.72
C[NH+](C)CC1(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)CCO3)C2)CC1	REAL300029329316	0	56	0.0	-74.07	413.39	4.21	-69.86
C[NH+]1CCC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)CCO3)C2)CC1	REAL300029329342	0	56	0.0	-78.63	409.40	4.21	-74.42
CC(C)[C@H](C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1)[NH+](C)C	REAL300029329357	0	58	0.0	-69.72	406.57	4.25	-65.47
CC[N@H+](C)CCC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029329392	0	55	0.0	-73.93	405.30	4.01	-69.92
CC[N@@H+](C)CCC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029329392	1	55	0.0	-73.87	405.38	4.04	-69.83
CC1CCC[N@@H+]1CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029329403	0	56	0.0	-67.78	405.18	4.23	-63.55
CC1CCC[N@H+]1CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029329403	1	56	0.0	-67.59	410.04	4.41	-63.18
CC1CC[N@H+](CC(=O)N2CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300029329404	0	56	0.0	-70.10	411.56	4.42	-65.68
CC1CC[N@@H+](CC(=O)N2CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300029329404	1	56	0.0	-69.30	410.23	4.33	-64.97
CC[C@@H](C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1)[NH+](C)C	REAL300029329407	0	55	0.0	-68.68	395.38	3.74	-64.94
C[NH+](C)CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029329446	0	49	0.0	-70.91	365.26	2.77	-68.14
CN1C=C[N+](CC(=O)N2CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)=C1	REAL300029329447	0	51	0.0	-67.87	396.50	6.29	-61.58
C[N@@H+]1CCCC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)CCO3)C2)C1	REAL300029329450	0	56	0.0	-73.47	406.83	4.16	-69.31
C[N@H+]1CCCC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)CCO3)C2)C1	REAL300029329450	1	56	0.0	-76.14	409.11	4.23	-71.91
CC(C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1)[NH+]1CCC1	REAL300029329458	1	53	0.0	-52.48	387.00	3.43	-49.05
C[NH+](C)CC(C)(C)C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300029329461	0	58	0.0	-65.22	402.98	3.85	-61.37
C[N@H+](CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1CC1	REAL300029329468	0	53	0.0	-67.20	394.47	4.16	-63.04
C[N@@H+](CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1CC1	REAL300029329468	1	53	0.0	-67.95	394.68	4.19	-63.76
C[NH+]1CC(CC(=O)N2CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300029329479	0	53	0.0	-73.43	396.50	3.63	-69.80
C[C@@H](C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1)[NH+](C)C	REAL300029329492	0	52	0.0	-69.49	382.98	3.11	-66.38
C[N@H+](CCO)CCC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029329532	0	56	0.0	-73.59	415.71	0.84	-72.75
C[N@@H+](CCO)CCC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029329532	1	56	0.0	-72.89	415.78	0.79	-72.10
C[C@@H](C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1)[NH+](C)C	REAL300029329533	0	52	0.0	-69.49	382.98	3.11	-66.38
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300029329536	0	56	0.0	-69.72	397.50	3.94	-65.78
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300029329536	1	56	0.0	-66.77	405.27	4.37	-62.40
O=C(C[NH+]1CCC1)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029329563	1	50	0.0	-71.10	375.28	3.17	-67.93
C[N@@H+]1CCC(=CC(=O)N2CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300029329573	0	54	0.0	-75.74	404.33	4.38	-71.36
C[N@H+]1CCC(=CC(=O)N2CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300029329573	1	54	0.0	-76.36	402.23	4.26	-72.10
C[NH+](C)CCOCC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029329583	0	56	0.0	-71.88	421.15	3.89	-67.99
C[C@H](C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1)[NH+](C)C	REAL300029329594	0	52	0.0	-69.65	384.12	3.25	-66.40
CC1C[NH+](CC(=O)N2CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300029329611	1	53	0.0	-70.97	396.46	3.89	-67.08
C[N@H+](CCO)CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029329624	1	53	0.0	-71.36	392.98	0.08	-71.28
C[N@@H+](CCO)CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029329624	1	53	0.0	-71.76	394.30	0.34	-71.42
CC(CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C[NH+](C)C	REAL300029329636	0	58	0.0	-74.54	422.47	4.84	-69.70
CC[N@H+](C)CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029329638	0	52	0.0	-71.12	384.30	3.56	-67.56
CC[N@@H+](C)CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029329638	1	52	0.0	-70.30	382.96	3.44	-66.86
CC[N@H+](CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1CC1	REAL300029329648	0	56	0.0	-66.83	413.88	4.80	-62.03
CC[N@@H+](CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1CC1	REAL300029329648	1	56	0.0	-68.99	406.96	4.38	-64.61
CC[NH+](CC)CCC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029329654	0	58	0.0	-73.35	418.88	4.44	-68.91
CC1(C)C[NH+](CC(=O)N2CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300029329662	1	56	0.0	-71.04	415.96	4.44	-66.60
C[NH+](C)CC=CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029329670	0	53	0.0	-77.42	399.40	3.88	-73.54
COCC[N@H+](C)CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029329679	1	56	0.0	-71.65	416.55	2.75	-68.90
COCC[N@@H+](C)CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029329679	1	56	0.0	-71.68	415.23	2.48	-69.20
CC(CCC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300029329689	0	58	0.0	-78.11	418.91	4.52	-73.59
CC[N@@H+]1CCC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300029329694	1	53	0.0	-68.37	388.36	3.29	-65.08
CC[N@H+]1CCC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300029329694	1	53	0.0	-68.23	389.74	3.49	-64.74
C=CCC(C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1)[NH+](C)C	REAL300029329719	0	56	0.0	-65.89	407.12	4.19	-61.70
O=C(C[NH+]1CC2CC2C1)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029329727	0	54	0.0	-70.70	400.37	4.52	-66.18
CCCC(C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1)[NH+](C)C	REAL300029329736	0	58	0.0	-67.42	414.71	4.44	-62.98
C[NH+](C)C(C)(C)C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300029329738	0	55	0.0	-74.06	385.36	3.20	-70.86
C[N@@H+]1CCCCC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300029329749	0	56	0.0	-68.45	394.40	3.85	-64.60
C[N@H+]1CCCCC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300029329749	1	56	0.0	-68.58	394.64	3.73	-64.85
C[NH+](C)C1(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)CCO3)C2)CC1	REAL300029329787	0	53	0.0	-74.76	388.07	3.18	-71.58
O=C(CC[NH+]1CCCC1)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029329788	0	56	0.0	-74.02	412.02	4.44	-69.58
C[N@@H+]1CC2CC1(C(=O)N1CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)CCO3)C1)C2	REAL300029329799	0	54	0.0	-74.63	391.58	3.92	-70.71
C[N@H+]1CC2CC1(C(=O)N1CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)CCO3)C1)C2	REAL300029329799	1	54	0.0	-74.32	391.60	3.57	-70.75
CC(C[NH+](C)C)C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300029329835	0	55	0.0	-80.42	402.17	3.92	-76.50
CC(C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1)[NH+]1CC(C)C1	REAL300029329858	1	56	0.0	-68.01	410.99	4.08	-63.93
CC1CC[N@@H+]1CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029329859	1	53	0.0	-69.74	396.49	3.84	-65.90
CC1CC[N@H+]1CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029329859	1	53	0.0	-68.81	391.95	3.56	-65.25
C[NH+](C)CC(O)CC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029329861	0	56	0.0	-78.35	417.89	1.84	-76.51
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)CCO3)C2)C1	REAL300029329891	0	56	0.0	-71.92	415.42	4.59	-67.33
CC(CC[NH+](C)C)C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300029329892	0	58	0.0	-82.18	423.76	4.52	-77.66
NC(=[NH2+])SCC(=O)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029329913	0	47	0.0	-75.10	373.20	-0.17	-75.27
CCC1C[NH+](CC(=O)N2CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300029329975	1	56	0.0	-72.06	417.67	4.58	-67.48
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300029329979	0	53	0.0	-69.21	391.52	3.71	-65.50
C[N@H+]1CCC[C@H]1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300029329979	1	53	0.0	-69.69	383.86	3.31	-66.38
O=C(C[NH+]1CCCCC1)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029329986	0	56	0.0	-70.23	406.66	4.50	-65.73
CC1C(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)CCO3)C2)CC[N@@H+]1C	REAL300029329990	0	56	0.0	-71.01	407.44	3.97	-67.04
CC1C(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)CCO3)C2)CC[N@H+]1C	REAL300029329990	1	56	0.0	-75.26	396.40	4.16	-71.10
C[N@@H+]1CCCC1C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029330170	0	53	0.0	-69.78	384.25	3.13	-66.65
C[N@H+]1CCCC1C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029330170	1	53	0.0	-65.61	387.40	3.58	-62.03
C[N@@H+]1CCOC(C(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029330196	1	54	0.0	-93.91	398.66	2.85	-91.06
C[N@H+]1CCOC(C(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029330196	1	54	0.0	-80.06	397.48	2.95	-77.11
C[N@@H+]1CCC(CC(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029330347	0	56	0.0	-78.30	412.80	4.46	-73.84
C[N@H+]1CCC(CC(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029330347	1	56	0.0	-71.62	411.03	4.37	-67.25
CCC(C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029330350	0	55	0.0	-74.91	397.15	3.87	-71.04
C[NH+](C)CCCCC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029330361	0	58	0.0	-72.06	430.70	4.79	-67.27
CC(C)C(C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029330367	0	58	0.0	-75.68	411.70	4.52	-71.16
CCC[N@H+](C)CCC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029330368	0	58	0.0	-78.58	428.14	4.88	-73.70
CCC[N@@H+](C)CCC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029330368	1	58	0.0	-78.67	428.14	4.86	-73.81
CCC[N@H+](C)CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029330369	0	55	0.0	-69.29	404.57	4.02	-65.27
CCC[N@@H+](C)CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029330369	1	55	0.0	-69.16	404.60	4.02	-65.14
C[NH+](C)CC1(C(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029330408	0	56	0.0	-73.11	412.43	4.14	-68.97
CC[N@H+](C)CCC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029330415	0	55	0.0	-78.04	406.66	4.10	-73.94
CC[N@@H+](C)CCC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029330415	1	55	0.0	-70.74	405.44	3.89	-66.85
C[NH+]1CCC(C(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029330441	0	56	0.0	-70.69	407.96	4.26	-66.43
CC(C)[C@H](C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029330456	0	58	0.0	-74.09	402.22	4.05	-70.04
C[NH+](C)C1(C(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCC1	REAL300029330484	0	56	0.0	-76.54	391.80	3.40	-73.14
CC1CCC[N@@H+]1CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029330509	0	56	0.0	-72.91	405.06	4.13	-68.78
CC1CCC[N@H+]1CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029330509	1	56	0.0	-73.62	411.57	4.50	-69.12
CC(C)[C@@H](C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029330523	0	58	0.0	-75.20	408.95	4.34	-70.86
CC1CC[N@H+](CC(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029330531	0	56	0.0	-68.11	410.00	4.40	-63.71
CC1CC[N@@H+](CC(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029330531	1	56	0.0	-67.91	410.63	4.27	-63.64
CC[C@@H](C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029330534	0	55	0.0	-67.40	390.55	3.50	-63.90
CC1=[NH+]C=CN1CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029330576	1	51	0.0	-66.50	393.74	4.19	-62.31
CC1=C[NH+]=CN1CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029330595	1	51	0.0	-69.49	394.49	5.08	-64.41
C[C@@H]1[C@H](C(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029330596	0	56	0.0	-69.25	395.17	3.55	-65.70
C[C@@H]1[C@H](C(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029330596	1	56	0.0	-77.52	407.56	3.95	-73.57
C[N@H+](CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300029330629	0	56	0.0	-66.43	410.94	4.72	-61.71
C[N@@H+](CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300029330629	1	56	0.0	-66.92	411.46	4.58	-62.34
C[NH+]1CCC(C(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029330636	0	56	0.0	-70.69	407.96	4.26	-66.43
C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029330649	0	53	0.0	-74.42	384.81	3.35	-71.07
C[N@H+]1CCC[C@@H]1C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029330649	1	53	0.0	-65.59	387.49	3.58	-62.01
C[N@@H+]1CCCCC1C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029330693	0	56	0.0	-63.14	404.69	4.14	-59.00
C[N@H+]1CCCCC1C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029330693	1	56	0.0	-72.11	406.40	4.29	-67.82
CC1C(C(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029330722	0	56	0.0	-67.72	396.25	3.53	-64.19
CC1C(C(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029330722	1	56	0.0	-71.17	401.81	3.61	-67.56
C[C@@H](C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029330764	0	52	0.0	-68.81	380.34	2.94	-65.87
O=C(CC[NH+]1CCCC1)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029330782	0	56	0.0	-70.04	413.68	4.39	-65.65
C[N@H+](CCO)CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029330787	1	53	0.0	-68.96	393.45	0.04	-68.92
C[N@@H+](CCO)CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029330787	1	53	0.0	-69.54	393.41	0.05	-69.49
CC1C[NH+](CC(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029330838	1	53	0.0	-76.87	397.85	3.92	-72.95
CC[N@H+](C)CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029330873	0	52	0.0	-68.93	383.10	3.28	-65.65
CC[N@@H+](C)CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029330873	1	52	0.0	-68.62	382.45	3.40	-65.22
COCC[N@H+](C)CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029330926	1	56	0.0	-69.84	415.65	2.46	-67.38
COCC[N@@H+](C)CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029330926	1	56	0.0	-69.06	415.69	2.44	-66.62
CC(CCC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029330928	0	58	0.0	-80.73	420.24	4.57	-76.16
CC[N@H+](CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029330933	0	56	0.0	-72.94	414.74	4.74	-68.20
CC[N@@H+](CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029330933	1	56	0.0	-67.20	406.67	4.52	-62.68
C[N@@H+]1CC2CC1(C(=O)N1CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029330946	0	54	0.0	-69.64	392.21	3.78	-65.86
C[N@H+]1CC2CC1(C(=O)N1CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029330946	1	54	0.0	-70.89	391.92	3.91	-66.98
CC(C[NH+](C)C)C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029330955	0	55	0.0	-76.13	404.62	3.97	-72.16
C[NH+](C)C1(C(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029330961	0	53	0.0	-64.77	380.43	2.94	-61.83
C[C@H](C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029330972	0	52	0.0	-66.61	381.13	2.99	-63.62
CC[N@@H+]1CCC1C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029330975	1	53	0.0	-74.08	388.31	3.32	-70.76
CC[N@H+]1CCC1C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029330975	1	53	0.0	-74.07	389.35	3.43	-70.64
NC1=CC=[NH+]C=C1C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029330991	0	49	0.0	-75.60	376.72	0.74	-74.86
CCCC(C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029330995	0	58	0.0	-74.68	416.25	4.49	-70.19
C[NH+](C)C(C)(C)C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029330998	0	55	0.0	-71.42	387.26	3.37	-68.05
CC(CC[NH+](C)C)C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029331007	0	58	0.0	-76.14	426.29	4.61	-71.53
O=C(C[NH+]1CC2CC2C1)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029331070	0	54	0.0	-68.44	400.18	4.62	-63.82
C[N@@H+]1CCCCC1C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029331081	0	56	0.0	-63.14	404.69	4.14	-59.00
C[N@H+]1CCCCC1C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029331081	1	56	0.0	-72.11	406.40	4.29	-67.82
C[N@@H+]1CCC(=CC(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029331109	0	54	0.0	-81.46	403.06	4.15	-77.31
C[N@H+]1CCC(=CC(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029331109	1	54	0.0	-82.22	403.55	4.43	-77.79
CCC1C[NH+](CC(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029331133	1	56	0.0	-77.66	419.22	4.68	-72.98
C[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029331138	0	53	0.0	-66.50	389.23	3.44	-63.06
C[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029331138	1	53	0.0	-75.53	384.28	3.24	-72.29
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029331182	0	56	0.0	-77.00	415.12	4.46	-72.54
C[NH+](C)CCOCC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029331200	0	56	0.0	-75.81	422.14	3.97	-71.84
O=C(C[NH+]1CCCCC1)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029331235	0	56	0.0	-68.36	407.07	4.48	-63.88
C[N@@H+]1CCCC(C(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029331236	0	56	0.0	-74.91	401.05	4.11	-70.80
C[N@H+]1CCCC(C(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029331236	1	56	0.0	-65.97	399.93	4.17	-61.80
CN1C=C[N+](CC(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300029331237	0	51	0.0	-73.44	397.50	6.23	-67.21
C[N@H+](CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029331247	0	53	0.0	-73.16	395.81	4.24	-68.92
C[N@@H+](CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029331247	1	53	0.0	-74.47	395.96	4.24	-70.23
CC(CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300029331255	0	58	0.0	-77.57	423.74	4.89	-72.68
C[NH+]1CC(CC(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029331306	0	53	0.0	-76.65	397.84	3.71	-72.94
C[NH+](C)CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029331313	0	49	0.0	-76.84	366.55	2.84	-74.00
C[N@H+](CCO)CCC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029331323	0	56	0.0	-77.93	417.00	0.90	-77.03
C[N@@H+](CCO)CCC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029331323	1	56	0.0	-77.07	417.03	0.84	-76.23
C[C@@H](C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029331324	0	52	0.0	-68.81	380.34	2.94	-65.87
CC(C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CC(C)C1	REAL300029331338	1	56	0.0	-68.19	414.34	4.17	-64.02
CC1CC[N@@H+]1CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029331339	1	53	0.0	-75.27	397.83	3.91	-71.36
CC1CC[N@H+]1CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029331339	1	53	0.0	-74.22	392.27	3.63	-70.59
C[NH+](C)CC=CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029331341	0	53	0.0	-83.04	401.35	4.06	-78.98
CC1(C)C[NH+](CC(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029331345	1	56	0.0	-68.95	415.22	4.33	-64.62
CC[NH+](CC)CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029331362	0	55	0.0	-74.04	397.70	3.92	-70.12
O=C(C[NH+]1CCC1)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029331367	1	50	0.0	-76.83	376.37	3.15	-73.68
CC[NH+](CC)CCC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029331387	0	58	0.0	-77.15	420.23	4.51	-72.64
CC(C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCC1	REAL300029331418	1	53	0.0	-69.49	384.13	3.16	-66.33
C[NH+](C)CC(C)(C)C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029331422	0	58	0.0	-77.75	403.52	3.82	-73.93
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029331443	0	56	0.0	-74.46	398.82	3.93	-70.53
C[N@H+]1CCCC[C@@H]1C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029331443	1	56	0.0	-63.56	405.58	4.27	-59.29
C[NH+](C)CC(O)CC(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029331453	0	56	0.0	-73.98	417.96	1.69	-72.29
C=CCC(C(=O)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029331465	0	56	0.0	-73.80	408.10	4.24	-69.56
C[NH+](C)CC(=O)NCC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CO1	REAL300029331609	0	55	0.0	-72.32	406.81	2.52	-69.80
C[C@@H](C(=O)NCC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CO1)[NH+](C)C	REAL300029331615	0	58	0.0	-71.40	424.66	2.84	-68.56
C[C@@H](C(=O)NCC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CO1)[NH+](C)C	REAL300029331628	0	58	0.0	-71.40	424.66	2.84	-68.56
C[C@H](C(=O)NCC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CO1)[NH+](C)C	REAL300029331641	0	58	0.0	-70.70	425.53	2.84	-67.86
CC[N@H+](C)CC(=O)NCC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CO1	REAL300029331653	0	58	0.0	-72.13	424.52	3.18	-68.95
CC[N@@H+](C)CC(=O)NCC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CO1	REAL300029331653	1	58	0.0	-72.18	424.83	3.12	-69.06
C[C@@H](C(=O)N1CCC2(CCC(CNC(=O)C3=CC(=O)[N-]O3)OC2)CC1)[NH+](C)C	REAL300029331821	0	58	0.0	-69.18	425.76	3.01	-66.17
CC[N@H+](C)CC(=O)N1CCC2(CCC(CNC(=O)C3=CC(=O)[N-]O3)OC2)CC1	REAL300029331840	0	58	0.0	-68.74	427.63	3.24	-65.50
CC[N@@H+](C)CC(=O)N1CCC2(CCC(CNC(=O)C3=CC(=O)[N-]O3)OC2)CC1	REAL300029331840	1	58	0.0	-68.77	427.63	3.25	-65.52
C[C@H](C(=O)N1CCC2(CCC(CNC(=O)C3=CC(=O)[N-]O3)OC2)CC1)[NH+](C)C	REAL300029331853	0	58	0.0	-67.13	425.94	2.93	-64.20
C[NH+](C)CC(=O)N1CCC2(CCC(CNC(=O)C3=CC(=O)[N-]O3)OC2)CC1	REAL300029331910	0	55	0.0	-69.68	409.99	2.58	-67.10
C[C@@H](C(=O)N1CCC2(CCC(CNC(=O)C3=CC(=O)[N-]O3)OC2)CC1)[NH+](C)C	REAL300029331913	0	58	0.0	-69.18	425.76	3.01	-66.17
O=C(C[NH+]1CCC1)N1CCC2(CCC(CNC(=O)C3=CC(=O)[N-]O3)OC2)CC1	REAL300029331920	1	56	0.0	-69.16	419.99	2.99	-66.17
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1CCC[N@@H+]1C)CC1=CC=CC=C1	REAL300029332082	0	54	0.0	-61.65	415.54	5.81	-55.84
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1CCC[N@H+]1C)CC1=CC=CC=C1	REAL300029332082	1	54	0.0	-59.25	415.47	5.80	-53.45
CC1=[NH+]C=CN1CC(=O)NCC(CC1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029332211	1	52	0.0	-61.38	427.37	6.93	-54.45
CC1=C[NH+]=CN1CC(=O)NCC(CC1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029332277	1	52	0.0	-62.93	427.71	7.66	-55.27
CCC(C(=O)NCC(CC1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029332286	0	56	0.0	-61.55	429.06	6.35	-55.20
CCC[N@H+](C)CC(=O)NCC(CC1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029332299	0	56	0.0	-62.83	437.24	6.74	-56.09
CCC[N@@H+](C)CC(=O)NCC(CC1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029332299	1	56	0.0	-62.83	437.24	6.72	-56.11
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)[C@H]1CCC[N@@H+]1C)CC1=CC=CC=C1	REAL300029332310	0	54	0.0	-59.44	420.48	6.33	-53.11
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)[C@H]1CCC[N@H+]1C)CC1=CC=CC=C1	REAL300029332310	1	54	0.0	-62.53	415.80	5.80	-56.73
CC[NH+](CC)CC(=O)NCC(CC1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029332320	0	56	0.0	-60.42	429.65	6.43	-53.99
CC[N@H+](C)CCC(=O)NCC(CC1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029332416	0	56	0.0	-64.03	438.11	6.51	-57.52
CC[N@@H+](C)CCC(=O)NCC(CC1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029332416	1	56	0.0	-64.17	438.12	6.55	-57.62
CC[C@@H](C(=O)NCC(CC1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029332422	0	56	0.0	-62.18	428.84	6.36	-55.82
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C[NH+](C)C)CC1=CC=CC=C1	REAL300029332451	0	50	0.0	-62.63	398.39	5.34	-57.29
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C[N+]1=CN(C)C=C1)CC1=CC=CC=C1	REAL300029332452	0	52	0.0	-62.11	429.25	8.84	-53.27
CC(C(=O)NCC(CC1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300029332460	1	54	0.0	-60.36	427.61	6.30	-54.06
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C[N@H+](C)C1CC1)CC1=CC=CC=C1	REAL300029332468	0	54	0.0	-60.62	427.28	6.72	-53.90
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C[N@@H+](C)C1CC1)CC1=CC=CC=C1	REAL300029332468	1	54	0.0	-60.80	427.28	6.73	-54.07
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)CC1C[NH+](C)C1)CC1=CC=CC=C1	REAL300029332477	0	54	0.0	-65.95	429.44	6.15	-59.80
C[C@@H](C(=O)NCC(CC1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029332486	0	53	0.0	-62.29	415.52	5.77	-56.52
C[C@@H](C(=O)NCC(CC1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029332517	0	53	0.0	-62.29	415.52	5.77	-56.52
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C[NH+]1CCC1)CC1=CC=CC=C1	REAL300029332543	1	51	0.0	-62.74	408.09	5.75	-56.99
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C=C1CC[N@H+](C)C1)CC1=CC=CC=C1	REAL300029332550	0	55	0.0	-69.39	436.80	6.87	-62.52
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C=C1CC[N@@H+](C)C1)CC1=CC=CC=C1	REAL300029332550	1	55	0.0	-68.54	433.41	6.80	-61.74
C[C@H](C(=O)NCC(CC1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029332564	0	53	0.0	-61.53	414.82	5.70	-55.83
CC1C[NH+](CC(=O)NCC(CC2=CC=CC=C2)N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029332576	1	54	0.0	-62.57	429.27	6.42	-56.15
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C[N@H+](C)CCO)CC1=CC=CC=C1	REAL300029332587	1	54	0.0	-62.74	424.20	2.69	-60.05
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C[N@@H+](C)CCO)CC1=CC=CC=C1	REAL300029332587	1	54	0.0	-62.87	425.92	2.76	-60.11
CC[N@H+](C)CC(=O)NCC(CC1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029332599	0	53	0.0	-62.59	415.75	5.97	-56.62
CC[N@@H+](C)CC(=O)NCC(CC1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029332599	1	53	0.0	-62.53	415.74	6.00	-56.53
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C=CC[NH+](C)C)CC1=CC=CC=C1	REAL300029332623	0	54	0.0	-67.79	435.62	6.60	-61.19
CC[N@@H+]1CCC1C(=O)NCC(CC1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029332636	1	54	0.0	-60.28	420.42	5.97	-54.31
CC[N@H+]1CCC1C(=O)NCC(CC1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029332636	1	54	0.0	-60.25	430.11	6.38	-53.87
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C[NH+]1CC2CC2C1)CC1=CC=CC=C1	REAL300029332656	0	55	0.0	-61.91	433.34	7.21	-54.70
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C(C)(C)[NH+](C)C)CC1=CC=CC=C1	REAL300029332661	0	56	0.0	-55.04	425.54	6.50	-48.54
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1([NH+](C)C)CC1)CC1=CC=CC=C1	REAL300029332696	0	54	0.0	-59.31	420.02	6.97	-52.34
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C12CC(C1)C[N@@H+]2C)CC1=CC=CC=C1	REAL300029332705	0	55	0.0	-55.02	429.14	6.52	-48.50
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C12CC(C1)C[N@H+]2C)CC1=CC=CC=C1	REAL300029332705	1	55	0.0	-60.73	426.20	6.65	-54.08
CC(C[NH+](C)C)C(=O)NCC(CC1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029332736	0	56	0.0	-60.32	436.31	6.71	-53.61
CC1CC[N@@H+]1CC(=O)NCC(CC1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029332752	1	54	0.0	-61.16	423.72	6.15	-55.01
CC1CC[N@H+]1CC(=O)NCC(CC1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029332752	1	54	0.0	-60.12	429.88	6.43	-53.69
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C[NH+](C)CC1(C(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300029334880	0	55	0.0	-76.40	425.31	4.92	-71.48
C[NH+]1CCC(C(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300029334933	0	55	0.0	-79.53	417.75	4.87	-74.66
CC(C)[C@H](C(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029334949	0	57	0.0	-71.11	421.23	5.33	-65.78
CCC(C(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](CC)CC	REAL300029334977	0	60	0.0	-67.64	436.22	5.27	-62.37
CC[N@H+](C)CCC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335018	0	54	0.0	-75.50	412.97	4.30	-71.20
CC[N@@H+](C)CCC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335018	1	54	0.0	-75.53	412.97	4.29	-71.24
CC1CCC[N@@H+]1CC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335048	0	55	0.0	-70.45	419.21	4.86	-65.59
CC1CCC[N@H+]1CC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335048	1	55	0.0	-70.79	418.54	5.00	-65.79
CC1CC[N@H+](CC(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029335050	0	55	0.0	-72.50	419.36	4.94	-67.56
CC1CC[N@@H+](CC(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029335050	1	55	0.0	-72.90	418.42	4.94	-67.96
CC1(C)CC[N@H+](CC(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029335054	0	58	0.0	-72.37	438.21	5.46	-66.91
CC1(C)CC[N@@H+](CC(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029335054	1	58	0.0	-73.02	438.75	5.45	-67.57
C[N@H+](CC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)CC(C)(C)C	REAL300029335055	0	60	0.0	-73.53	440.95	5.60	-67.93
C[N@@H+](CC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)CC(C)(C)C	REAL300029335055	1	60	0.0	-73.39	443.15	5.72	-67.67
CC[C@@H](C(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029335063	0	54	0.0	-70.04	402.99	4.23	-65.81
C[NH+](C)CC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335167	0	48	0.0	-73.77	372.89	3.10	-70.67
O=C(C[NH+]1CCCCCC1)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335171	0	58	0.0	-72.79	424.20	5.14	-67.65
CN1C=C[N+](CC(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)=C1	REAL300029335174	0	50	0.0	-71.03	404.11	6.60	-64.43
C[N@@H+]1CCCC(C(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029335179	0	55	0.0	-74.60	417.47	4.72	-69.88
C[N@H+]1CCCC(C(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029335179	1	55	0.0	-73.79	417.44	4.70	-69.09
O=C(NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CCC[N@@H+]1C1CC1	REAL300029335184	0	56	0.0	-75.72	425.85	5.19	-70.53
O=C(NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CCC[N@H+]1C1CC1	REAL300029335184	1	56	0.0	-70.63	422.93	5.01	-65.62
CC(C(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+]1CCC1	REAL300029335200	1	52	0.0	-71.08	400.87	4.18	-66.90
CCC(CC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C[NH+](C)C	REAL300029335204	0	60	0.0	-81.01	447.51	5.71	-75.30
C[NH+](C)CC(C)(C)C(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335209	0	57	0.0	-71.71	421.41	4.87	-66.84
O=C(C[NH+]1CCC(O)CC1)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335224	1	56	0.0	-78.45	426.29	1.71	-76.74
C[N@H+](CC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300029335225	0	52	0.0	-70.30	402.15	4.50	-65.80
C[N@@H+](CC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300029335225	1	52	0.0	-71.08	402.28	4.50	-66.58
C[NH+]1CC(CC(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029335241	0	52	0.0	-75.21	404.32	3.92	-71.29
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335252	0	58	0.0	-70.12	434.62	4.89	-65.23
CC(C)(C)[N@H+]1CCC1C(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335252	1	58	0.0	-71.29	416.31	4.55	-66.74
C[C@@H](C(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029335263	0	51	0.0	-72.21	391.37	3.60	-68.61
[NH2+]=C1SC=CN1CC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335322	0	48	0.0	-69.42	399.94	3.28	-66.14
C[N@H+](CCO)CCC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335329	0	55	0.0	-74.41	423.61	1.21	-73.20
C[N@@H+](CCO)CCC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335329	1	55	0.0	-74.80	423.13	1.11	-73.69
C[C@@H](C(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029335330	0	51	0.0	-72.21	391.37	3.60	-68.61
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335334	0	55	0.0	-70.88	405.61	4.62	-66.26
C[N@H+]1CCCC[C@@H]1C(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335334	1	55	0.0	-70.11	415.45	4.74	-65.37
O=C(C[NH+]1CCC1)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335384	1	49	0.0	-73.74	382.97	3.52	-70.22
C[N@@H+]1CCC(=CC(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029335403	0	53	0.0	-77.53	412.03	4.73	-72.80
C[N@H+]1CCC(=CC(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029335403	1	53	0.0	-77.68	412.03	4.74	-72.94
C[NH+](C)CCOCC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335426	0	55	0.0	-73.76	428.69	4.16	-69.60
C=CCC(C)(C(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029335440	0	58	0.0	-74.57	424.27	4.87	-69.70
C[S+](C)CCC(O)C(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335444	0	54	0.0	-77.27	438.01	2.87	-74.40
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335463	0	56	0.0	-78.24	419.58	1.71	-76.53
CC1CN(CC(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029335482	0	52	0.0	-73.38	404.43	4.30	-69.08
CC1C[NH+](CC(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029335482	1	52	0.0	-73.38	404.43	4.30	-69.08
CN(CCO)CC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335500	0	52	0.0	-74.04	401.25	0.64	-73.40
C[N@H+](CCO)CC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335500	1	52	0.0	-73.91	400.78	0.51	-73.40
C[N@@H+](CCO)CC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335500	1	52	0.0	-73.91	400.78	0.51	-73.40
CC[N@@H+]1CCCC(C(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029335520	0	58	0.0	-66.37	428.84	5.57	-60.80
CC[N@H+]1CCCC(C(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029335520	1	58	0.0	-66.37	428.84	5.57	-60.80
CC(CC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C[NH+](C)C	REAL300029335522	0	57	0.0	-75.97	430.07	5.10	-70.87
CC[N@H+](C)CC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335527	0	51	0.0	-73.16	390.61	3.76	-69.40
CC[N@H+](CC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300029335560	0	55	0.0	-70.35	419.50	5.22	-65.13
CC[NH+](CC)CCC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335570	0	57	0.0	-73.79	431.06	5.12	-68.67
CC1(C)CN(CC(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029335588	0	55	0.0	-73.32	423.56	4.78	-68.54
CC1(C)C[NH+](CC(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029335588	1	55	0.0	-73.32	423.56	4.78	-68.54
CC1(O)CC[N@H+](CC(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029335606	0	56	0.0	-72.25	429.15	1.61	-70.64
C[NH+](C)CC=CC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335610	0	52	0.0	-79.04	408.84	4.30	-74.74
CC(OCC[NH+](C)C)C(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335619	0	58	0.0	-74.90	448.49	4.85	-70.05
C[NH+](C)CCOCCC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335625	0	58	0.0	-75.34	449.70	3.89	-71.45
COCCN(C)CC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335626	0	55	0.0	-73.59	423.04	2.91	-70.68
COCC[N@H+](C)CC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335626	1	55	0.0	-74.29	423.51	3.04	-71.25
COCC[N@@H+](C)CC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335626	1	55	0.0	-74.29	423.51	3.04	-71.25
C[NH+](C)C1(C(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CCCC1	REAL300029335646	0	58	0.0	-75.90	424.83	5.70	-70.20
CC(CCC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029335648	0	57	0.0	-78.63	426.37	4.80	-73.83
CCN1CCC1C(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335654	0	52	0.0	-70.85	397.81	3.82	-67.03
CC[N@@H+]1CCC1C(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335654	1	52	0.0	-72.95	404.50	4.12	-68.83
CC[N@H+]1CCC1C(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335654	1	52	0.0	-72.95	404.50	4.12	-68.83
O=C(C[N@H+]1CCCC1CO)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335667	0	56	0.0	-72.69	428.05	1.75	-70.94
C[NH+]1CCC(C)(C(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300029335689	0	58	0.0	-71.37	430.13	5.17	-66.20
C=CCC(C(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029335708	0	55	0.0	-69.90	417.28	4.66	-65.24
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335715	0	58	0.0	-71.18	433.54	4.71	-66.47
C[NH+](C)CCCCCC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335717	0	60	0.0	-75.36	460.03	6.13	-69.23
CCCC(C(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029335738	0	57	0.0	-72.57	427.60	5.46	-67.11
C[NH+](C)C(C)(C)C(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335741	0	54	0.0	-75.78	400.62	4.36	-71.42
C[N@@H+]1CCCCC1C(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335767	0	55	0.0	-70.46	405.33	4.54	-65.92
C[N@H+]1CC=C(CC(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300029335791	0	56	0.0	-70.95	432.01	5.43	-65.52
C[N@@H+]1CC=C(CC(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300029335791	1	56	0.0	-70.95	432.01	5.43	-65.52
O=C(C=CC[NH+]1CCCC1)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335831	0	56	0.0	-77.90	435.18	5.51	-72.39
C[NH+](C)C1(C(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300029335862	0	52	0.0	-77.45	400.13	3.86	-73.59
O=C(CC[NH+]1CCCC1)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335864	0	55	0.0	-74.96	421.21	4.83	-70.13
O=C(NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1C[NH+]2CCN1CC2	REAL300029335888	0	55	0.0	-82.02	409.61	1.63	-80.39
C[N@@H+]1CC2CC1(C(=O)NCC1CC13CCN(C(=O)C1=CC(=O)[N-]O1)CC3)C2	REAL300029335893	0	53	0.0	-77.99	405.65	4.35	-73.64
C[N@H+]1CC2CC1(C(=O)NCC1CC13CCN(C(=O)C1=CC(=O)[N-]O1)CC3)C2	REAL300029335893	1	53	0.0	-76.38	401.58	4.74	-71.64
O=C(C[N@@H+]1CC2CCC1C2)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335900	0	56	0.0	-70.71	416.96	5.03	-65.68
O=C(C[N@H+]1CC2CCC1C2)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335900	1	56	0.0	-71.48	419.75	5.29	-66.19
O=C(C[N@@H+]1CC2C=CC1C2)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335940	1	54	0.0	-71.50	412.52	5.18	-66.32
O=C(C[N@H+]1CC2C=CC1C2)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335940	1	54	0.0	-69.57	412.45	5.07	-64.50
CC(C[NH+](C)C)C(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335972	0	54	0.0	-74.48	411.57	4.49	-69.99
C[N@@H+]1CCCCC1CC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029336022	0	58	0.0	-76.63	431.71	5.31	-71.32
C[N@H+]1CCCCC1CC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029336022	1	58	0.0	-77.03	431.52	5.33	-71.70
CC(C(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+]1CC(C)C1	REAL300029336032	1	55	0.0	-70.58	421.63	4.76	-65.82
CC1CC[N@@H+]1CC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029336034	1	52	0.0	-71.23	398.66	3.91	-67.32
CC1CC[N@H+]1CC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029336034	1	52	0.0	-71.18	399.56	4.08	-67.10
C[NH+](C)CC(O)CC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029336037	0	55	0.0	-79.60	425.27	2.14	-77.46
CC1C[N@H+](C)CC(C(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)O1	REAL300029336057	1	56	0.0	-82.43	424.71	4.26	-78.17
CC1C[N@@H+](C)CC(C(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)O1	REAL300029336057	1	56	0.0	-86.64	431.47	4.27	-82.37
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029336104	0	55	0.0	-74.40	422.73	4.92	-69.48
CC(CC[NH+](C)C)C(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029336110	0	57	0.0	-74.67	433.20	5.10	-69.57
C[NH+]1CCN(CC(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300029336129	1	57	0.0	-74.44	431.89	2.60	-71.84
NC(=[NH2+])SCC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029336153	0	46	0.0	-75.33	381.69	0.08	-75.25
C[NH+](C)CCC1(C(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300029336182	0	58	0.0	-79.39	448.64	5.73	-73.66
C[N@@H+]1CC=CCC1CC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029336183	0	56	0.0	-77.90	423.64	5.17	-72.73
C[N@H+]1CC=CCC1CC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029336183	1	56	0.0	-66.11	419.06	5.09	-61.02
C[C@@H](OCC[NH+](C)C)C(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029336196	0	58	0.0	-71.20	448.82	4.95	-66.25
CCC1CN(CC(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029336282	0	55	0.0	-74.03	425.82	5.06	-68.97
CCC1C[NH+](CC(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029336282	1	55	0.0	-74.03	425.82	5.06	-68.97
C[N@@H+]1CCC[C@H]1C(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029336287	0	52	0.0	-73.15	392.68	3.70	-69.45
O=C(CC[N@H+]1CCC(F)C1)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029336293	0	55	0.0	-79.66	427.17	4.94	-74.72
CC1C(C(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC[N@@H+]1C	REAL300029336312	0	55	0.0	-74.86	415.20	4.72	-70.14
CC1C(C(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC[N@H+]1C	REAL300029336312	1	55	0.0	-74.86	415.20	4.72	-70.14
CN1CCOCC1CC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029336341	0	56	0.0	-70.30	416.00	2.77	-67.53
C[N@@H+]1CCOCC1CC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029336341	1	56	0.0	-69.01	416.28	2.87	-66.14
C[N@H+]1CCOCC1CC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029336341	1	56	0.0	-69.01	416.28	2.87	-66.14
C[N@@H+]1CCCC1C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029336512	0	52	0.0	-69.14	394.63	3.89	-65.25
C[N@H+]1CCCC1C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029336512	1	52	0.0	-69.14	394.63	3.89	-65.25
CN1CCOC(C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029336538	0	53	0.0	-77.68	401.98	3.43	-74.25
C[N@@H+]1CCOC(C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029336538	1	53	0.0	-74.88	402.49	3.44	-71.44
C[N@H+]1CCOC(C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029336538	1	53	0.0	-74.88	402.49	3.44	-71.44
O=C(CCN1CCOCC1)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029336691	0	56	0.0	-74.75	431.33	3.42	-71.33
O=C(CC[NH+]1CCOCC1)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029336691	1	56	0.0	-74.75	431.33	3.42	-71.33
O=C(NCC1CC12CCN(C(=O)C13CCC[NH+]1CCC3)CC2)C1=CC(=O)[N-]O1	REAL300029336703	0	56	0.0	-70.85	406.63	4.79	-66.06
O=C(NCC1CC12CCN(C(=O)C1=CC3=CN=CN3C=C1)CC2)C1=CC(=O)[N-]O1	REAL300029336709	0	50	0.0	-73.87	410.59	6.75	-67.12
O=C(NCC1CC12CCN(C(=O)C1=CC3=C[NH+]=CN3C=C1)CC2)C1=CC(=O)[N-]O1	REAL300029336709	1	50	0.0	-73.87	410.59	6.75	-67.12
C[N@@H+]1CCC(CC(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029336740	0	55	0.0	-75.89	422.51	5.02	-70.87
C[N@H+]1CCC(CC(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029336740	1	55	0.0	-75.89	422.51	5.02	-70.87
CCC(C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029336748	0	54	0.0	-66.59	400.15	4.12	-62.47
C[NH+](C)CCCCC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029336786	0	57	0.0	-72.87	441.43	5.54	-67.33
CC(C)C(C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029336802	0	57	0.0	-68.73	414.62	5.02	-63.71
CCC[N@H+](C)CCC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029336803	0	57	0.0	-75.83	437.73	5.36	-70.47
CCC[N@@H+](C)CCC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029336803	1	57	0.0	-75.83	437.73	5.36	-70.47
CCC[N@H+](C)CC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029336807	0	54	0.0	-72.86	415.31	4.78	-68.08
CCC[N@@H+](C)CC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029336807	1	54	0.0	-72.86	415.31	4.78	-68.08
O=C(NCC1CC12CCN(C(=O)C13CC[N@H+](C1)CCC3)CC2)C1=CC(=O)[N-]O1	REAL300029336822	0	56	0.0	-71.18	410.18	4.25	-66.93
O=C(NCC1CC12CCN(C(=O)C13CC[N@@H+](C1)CCC3)CC2)C1=CC(=O)[N-]O1	REAL300029336822	1	56	0.0	-71.18	410.18	4.25	-66.93
CC1CC[NH+](CC(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029336855	0	58	0.0	-70.25	438.96	5.84	-64.41
C[NH+](C)CC1(C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029336896	0	55	0.0	-74.74	424.33	4.94	-69.80
CC[N@H+](C)CCC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029336915	0	54	0.0	-71.80	416.16	4.64	-67.16
CC[N@@H+](C)CCC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029336915	1	54	0.0	-75.02	416.18	4.63	-70.39
O=C(NCC1CC12CCN(C(=O)C1C[NH+]3CCC1CC3)CC2)C1=CC(=O)[N-]O1	REAL300029336933	0	56	0.0	-73.86	411.37	4.80	-69.06
C[NH+]1CCC(C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029336982	0	55	0.0	-74.62	419.61	4.91	-69.71
CC(C)[C@H](C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029336998	0	57	0.0	-72.11	415.70	4.81	-67.30
CC[NH+](CC)CC(F)C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029337058	0	57	0.0	-71.89	438.01	5.33	-66.56
C[NH+](C)C1(C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300029337079	0	55	0.0	-74.79	399.74	4.27	-70.52
CCC(C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](CC)CC	REAL300029337107	0	60	0.0	-65.73	439.41	5.57	-60.16
CC1CCC[N@@H+]1CC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029337118	0	55	0.0	-66.38	414.70	4.74	-61.64
CC1CCC[N@H+]1CC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029337118	1	55	0.0	-69.08	414.71	4.74	-64.34
CC(C)[N@@H+]1CCCC1C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029337164	0	58	0.0	-65.59	422.36	5.53	-60.06
CC(C)[N@H+]1CCCC1C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029337164	1	58	0.0	-67.00	425.88	5.51	-61.49
CC(C)[C@@H](C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029337173	0	57	0.0	-70.45	418.55	5.05	-65.40
CC1CC[N@H+](CC(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029337187	0	55	0.0	-71.69	422.30	5.00	-66.69
CC1CC[N@@H+](CC(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029337187	1	55	0.0	-72.13	422.17	5.10	-67.03
CC1(C)CC[N@H+](CC(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029337191	0	58	0.0	-71.86	441.10	5.60	-66.26
CC1(C)CC[N@@H+](CC(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029337191	1	58	0.0	-69.05	440.89	5.60	-63.45
C[N@H+](CC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300029337192	0	60	0.0	-69.81	443.89	5.76	-64.05
C[N@@H+](CC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300029337192	1	60	0.0	-69.69	445.83	5.91	-63.78
CC[C@@H](C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029337200	0	54	0.0	-66.47	399.88	4.16	-62.31
CC1=[NH+]C=CN1CC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029337321	1	50	0.0	-69.15	404.48	4.94	-64.21
CC[N@@H+]1CCOC(C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029337385	1	56	0.0	-83.65	427.61	4.27	-79.38
CC[N@H+]1CCOC(C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029337385	1	56	0.0	-78.64	427.50	4.27	-74.37
O=C(NCC1CC12CCN(C(=O)C1=CN3C=[NH+]C=C3C=C1)CC2)C1=CC(=O)[N-]O1	REAL300029337415	0	50	0.0	-73.89	410.72	6.71	-67.18
CC1=C[NH+]=CN1CC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029337418	1	50	0.0	-72.45	404.79	5.67	-66.78
C[C@@H]1[C@H](C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300029337425	0	55	0.0	-74.10	411.54	4.32	-69.78
C[C@@H]1[C@H](C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300029337425	1	55	0.0	-73.63	418.35	4.74	-68.89
CC[C@@H]1[C@@H](C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300029337427	0	58	0.0	-75.29	428.73	4.91	-70.38
CC[C@@H]1[C@@H](C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300029337427	1	58	0.0	-68.71	431.30	5.27	-63.44
CC1CCC(C)[NH+]1CC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029337434	0	58	0.0	-68.69	433.96	5.43	-63.26
O=C(CCC[NH+]1CCCC1)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029337437	0	58	0.0	-71.15	445.89	5.94	-65.21
O=C(CC[NH+]1CCCCC1)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029337441	0	58	0.0	-74.49	439.64	5.81	-68.68
CC[N@@H+]1CCCCC1C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029337444	0	58	0.0	-65.31	434.57	5.58	-59.73
CC[N@H+]1CCCCC1C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029337444	1	58	0.0	-66.44	422.64	5.01	-61.43
C[N@H+](CC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300029337542	0	55	0.0	-70.40	422.29	5.34	-65.06
C[N@@H+](CC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300029337542	1	55	0.0	-67.85	422.21	5.33	-62.52
C[NH+]1CCC(C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029337573	0	55	0.0	-74.62	419.61	4.91	-69.71
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029337603	0	52	0.0	-68.59	395.18	3.88	-64.71
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029337603	1	52	0.0	-69.51	398.71	4.20	-65.31
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029337621	1	54	0.0	-66.92	421.19	5.11	-61.81
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029337621	1	54	0.0	-71.13	423.57	5.43	-65.70
C[N@@H+]1CCCC1CCC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029337626	0	58	0.0	-77.40	443.45	5.90	-71.50
C[N@H+]1CCCC1CCC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029337626	1	58	0.0	-70.33	437.99	5.43	-64.90
C[N@@H+]1CCCCC1C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029337700	0	55	0.0	-69.08	416.38	4.94	-64.14
C[N@H+]1CCCCC1C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029337700	1	55	0.0	-67.67	403.69	4.39	-63.28
CC1C(C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300029337758	0	55	0.0	-76.81	417.38	4.64	-72.17
CC1C(C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300029337758	1	55	0.0	-73.03	413.36	4.42	-68.61
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029337814	0	58	0.0	-69.45	436.65	5.00	-64.45
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029337814	1	58	0.0	-66.40	437.08	5.02	-61.38
C[C@@H](C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029337828	0	51	0.0	-70.69	392.33	3.74	-66.95
C=CCC(C)(C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029337842	0	58	0.0	-66.01	421.54	4.82	-61.19
O=C(CC[NH+]1CCCC1)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029337859	0	55	0.0	-71.35	424.39	5.13	-66.22
C[N@H+](CCO)CC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029337868	1	52	0.0	-73.63	404.17	0.79	-72.84
C[N@@H+](CCO)CC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029337868	1	52	0.0	-70.06	403.92	0.78	-69.28
C[N@H+]1CC=C(CC(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029337926	0	56	0.0	-70.05	435.20	5.73	-64.32
C[N@@H+]1CC=C(CC(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029337926	1	56	0.0	-68.59	435.19	5.72	-62.87
C[S+](C)CCC(O)C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029337936	0	54	0.0	-81.17	436.73	2.79	-78.38
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029337949	0	56	0.0	-68.90	416.34	0.88	-68.02
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029337949	1	56	0.0	-71.20	415.76	0.74	-70.46
CC1C[NH+](CC(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029337979	1	52	0.0	-70.06	407.35	4.45	-65.61
CC[N@@H+]1CCCC(C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029337985	0	58	0.0	-70.01	437.87	5.56	-64.45
CC[N@H+]1CCCC(C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029337985	1	58	0.0	-69.10	436.86	5.50	-63.60
NC1=[NH+]C=CC=C1CC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029337989	0	51	0.0	-66.33	410.30	3.21	-63.12
O=C(NCC1CC12CCN(C(=O)C1CCC[N@@H+]1C1CC1)CC2)C1=CC(=O)[N-]O1	REAL300029337997	0	56	0.0	-64.81	429.74	5.66	-59.15
O=C(NCC1CC12CCN(C(=O)C1CCC[N@H+]1C1CC1)CC2)C1=CC(=O)[N-]O1	REAL300029337997	1	56	0.0	-64.71	425.02	5.52	-59.19
O=C(C=CC[NH+]1CCCC1)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029338027	0	56	0.0	-77.23	435.58	5.66	-71.57
CC[N@H+](C)CC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029338072	0	51	0.0	-69.66	393.79	4.03	-65.63
O=C(CN1CC2C=CC1C2)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029338107	0	54	0.0	-65.97	415.19	5.22	-60.75
O=C(C[N@@H+]1CC2C=CC1C2)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029338107	1	54	0.0	-67.88	415.13	5.30	-62.58
O=C(C[N@H+]1CC2C=CC1C2)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029338107	1	54	0.0	-67.88	415.13	5.30	-62.58
CC(OCC[NH+](C)C)C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029338194	0	58	0.0	-70.39	448.35	4.93	-65.46
C[NH+](C)CCOCCC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029338201	0	58	0.0	-73.72	452.90	4.21	-69.51
COCCN(C)CC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029338203	0	55	0.0	-69.76	426.17	3.19	-66.57
COCC[N@H+](C)CC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029338203	1	55	0.0	-73.94	426.43	3.19	-70.75
COCC[N@@H+](C)CC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029338203	1	55	0.0	-73.94	426.43	3.19	-70.75
CC(CCC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029338206	0	57	0.0	-70.28	433.42	5.15	-65.13
CC[N@H+](CC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029338222	0	55	0.0	-71.13	417.70	4.96	-66.17
C[N@@H+]1CC2CC1(C(=O)N1CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300029338249	0	53	0.0	-75.21	403.27	4.46	-70.75
O=C(C[N@@H+]1CC2CCC1C2)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029338258	0	56	0.0	-69.56	420.53	5.26	-64.30
O=C(C[N@H+]1CC2CCC1C2)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029338258	1	56	0.0	-69.56	420.53	5.26	-64.30
CC(C[NH+](C)C)C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029338273	0	54	0.0	-67.82	411.37	4.48	-63.34
CC[N@@H+]1CCC1C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029338310	0	52	0.0	-67.34	399.17	4.00	-63.34
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029338321	0	60	0.0	-69.08	439.91	3.80	-65.28
CNC1=NC(C)=CC=C1C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029338348	0	54	0.0	-63.46	428.27	3.95	-59.51
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029338348	1	54	0.0	-63.46	428.27	3.95	-59.51
CCCC(C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029338357	0	57	0.0	-68.21	425.65	5.04	-63.17
C[NH+](C)C(C)(C)C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029338362	0	54	0.0	-75.20	396.66	3.96	-71.24
CC(CC[NH+](C)C)C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029338376	0	57	0.0	-74.74	434.84	5.07	-69.67
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029338438	0	58	0.0	-66.29	433.63	5.02	-61.27
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029338438	1	58	0.0	-66.29	433.63	5.02	-61.27
C[NH+](C)CCCCCC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029338440	0	60	0.0	-72.37	462.92	6.32	-66.05
CN1CCN(CC(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029338447	0	57	0.0	-72.68	435.06	2.86	-69.82
C[NH+]1CCN(CC(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029338447	1	57	0.0	-72.68	435.06	2.86	-69.82
CC1CN(C)CC(C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300029338500	0	56	0.0	-80.59	424.32	4.37	-76.22
CC1C[N@H+](C)CC(C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300029338500	1	56	0.0	-86.37	423.66	3.96	-82.41
CC1C[N@@H+](C)CC(C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300029338500	1	56	0.0	-86.37	423.66	3.96	-82.41
O=C(C[NH+]1CC2CC2C1)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029338531	0	53	0.0	-69.84	410.61	5.19	-64.65
C[N@@H+]1CCCCC1C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029338558	0	55	0.0	-67.67	403.69	4.39	-63.28
C[N@@H+]1CCC(=CC(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029338632	0	53	0.0	-73.88	412.77	4.98	-68.90
C[N@H+]1CCC(=CC(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029338632	1	53	0.0	-73.88	412.77	4.98	-68.90
O=C(CNC1=CC=[NH+]C=C1)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029338635	0	51	0.0	-70.01	411.78	2.63	-67.38
C[NH+](C)C1(C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)CCCC1	REAL300029338698	0	58	0.0	-76.68	419.99	4.93	-71.75
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029338717	0	52	0.0	-70.17	394.41	3.90	-66.27
C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029338717	1	52	0.0	-70.17	394.41	3.90	-66.27
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029338812	0	55	0.0	-74.98	425.16	5.07	-69.91
C[NH+](C)CCC1(C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029338821	0	58	0.0	-73.33	449.18	5.79	-67.54
C[N@@H+]1CC=CCC1CC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029338822	0	56	0.0	-76.57	427.19	5.47	-71.10
C[N@H+]1CC=CCC1CC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029338822	1	56	0.0	-76.57	427.19	5.47	-71.10
C[NH+](C)CCOCC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029338858	0	55	0.0	-70.14	431.93	4.49	-65.65
[NH2+]=C1SC=CN1CC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029338886	0	48	0.0	-66.46	403.12	3.54	-62.92
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029338928	0	58	0.0	-68.38	448.17	4.93	-63.45
C[N@@H+]1CCCC(C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029338958	0	55	0.0	-64.08	411.03	5.03	-59.05
C[N@H+]1CCCC(C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029338958	1	55	0.0	-64.08	411.03	5.03	-59.05
O=C(C[NH+]1CCCCCC1)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029338959	0	58	0.0	-71.76	427.06	5.41	-66.35
CN1C=C[N+](CC(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300029338963	0	50	0.0	-70.67	407.32	6.87	-63.80
C[N@H+](CC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029338988	0	52	0.0	-70.41	405.55	4.76	-65.65
O=C(CC[N@H+]1CCC(F)C1)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029338991	0	55	0.0	-79.86	430.32	5.18	-74.68
CC(CC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300029339012	0	57	0.0	-72.44	433.25	5.41	-67.03
CN1CCOCC1CC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029339031	0	56	0.0	-79.97	426.60	3.22	-76.75
C[N@@H+]1CCOCC1CC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029339031	1	56	0.0	-76.25	426.59	3.22	-73.03
C[N@H+]1CCOCC1CC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029339031	1	56	0.0	-76.25	426.59	3.22	-73.03
CC1=CC(N)=NC=C1C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029339071	0	51	0.0	-68.64	407.82	2.60	-66.04
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029339071	1	51	0.0	-68.64	407.82	2.60	-66.04
CC1(O)CC[N@H+](CC(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029339101	0	56	0.0	-73.26	432.26	1.74	-71.52
C[NH+]1CC(CC(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029339129	0	52	0.0	-71.88	407.35	4.23	-67.65
C[N@H+](CCO)CCC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029339159	0	55	0.0	-74.42	426.51	1.38	-73.04
C[N@@H+](CCO)CCC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029339159	1	55	0.0	-74.42	426.51	1.38	-73.04
C[N@@H+]1CCCCC1CC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029339177	0	58	0.0	-63.21	427.81	5.47	-57.74
C[N@H+]1CCCCC1CC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029339177	1	58	0.0	-63.21	427.81	5.47	-57.74
CC1CC[N@@H+]1CC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029339192	0	52	0.0	-70.70	401.90	4.17	-66.53
C[NH+](C)CC=CC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029339200	0	52	0.0	-74.62	412.25	4.62	-70.00
CC1(C)CN(CC(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029339206	0	55	0.0	-70.02	426.66	4.98	-65.04
CC1(C)C[NH+](CC(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029339206	1	55	0.0	-70.02	426.66	4.98	-65.04
C[NH+](C)CCSCC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029339228	0	55	0.0	-75.66	442.96	5.39	-70.27
O=C(C[N@H+]1CCCC1CO)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029339247	0	56	0.0	-68.59	429.19	1.97	-66.62
CC[NH+](CC)CC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029339251	0	54	0.0	-67.86	412.07	4.72	-63.14
O=C(CN1CCC1)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029339260	0	49	0.0	-70.12	386.17	3.78	-66.34
O=C(C[NH+]1CCC1)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029339260	1	49	0.0	-70.12	386.17	3.78	-66.34
CC[NH+](CC)CCC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029339291	0	57	0.0	-70.90	434.01	5.33	-65.57
CCC(CC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300029339355	0	60	0.0	-75.35	447.52	5.89	-69.46
C[NH+](C)CC(C)(C)C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029339361	0	57	0.0	-65.22	412.86	4.56	-60.66
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029339398	0	55	0.0	-66.92	415.83	4.89	-62.03
C[NH+](C)CC(O)CC(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029339422	0	55	0.0	-75.27	428.76	2.39	-72.88
C=CCC(C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029339444	0	55	0.0	-66.34	417.20	4.74	-61.60
C[NH+]1CCC(C)(C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029339457	0	58	0.0	-70.89	423.23	4.83	-66.06
C[NH+](C)CCSCC(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029339520	0	55	0.0	-80.70	439.77	5.03	-75.67
C[N@@H+]1CCCC1C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029339679	0	46	0.0	-69.87	365.18	-1.05	-70.92
CN1CCOC(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029339703	0	47	0.0	-78.98	376.82	-1.54	-80.52
C[N@@H+]1CCOC(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029339703	1	47	0.0	-71.41	370.13	-1.78	-73.19
C[N@H+]1CCOC(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029339703	1	47	0.0	-71.41	370.13	-1.78	-73.19
CC(C)C1=[NH+]C=CN1CCC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029339884	1	53	0.0	-66.67	425.26	1.10	-65.57
CC(C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+]1CCCCCC1	REAL300029339891	0	55	0.0	-67.77	408.84	0.40	-67.37
CC(C)[N@@H+]1CCCCC1C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029339893	0	55	0.0	-65.74	406.80	0.51	-65.23
CC(C)[N@H+]1CCCCC1C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029339893	1	55	0.0	-66.99	411.97	0.42	-66.57
CC(C)[N@@H+]1CCCC1C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029339923	0	52	0.0	-66.09	401.27	0.22	-65.87
CC(C)[N@H+]1CCCC1C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029339923	1	52	0.0	-68.67	397.67	0.05	-68.62
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CC2CCCC[N@@H+]2C1	REAL300029339947	0	53	0.0	-71.84	406.18	0.63	-71.21
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CC2CCCC[N@H+]2C1	REAL300029339947	1	53	0.0	-70.10	405.78	0.71	-69.39
CC(C)C1=[NH+]C=CN1CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029339978	1	50	0.0	-68.84	404.27	0.70	-68.14
CC1=[NH+]C=CN1CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029340028	1	44	0.0	-69.98	367.92	-0.41	-70.39
CC(C[NH+]1CCOCC1)C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029340030	0	53	0.0	-73.56	411.14	-1.33	-74.89
O=C(CCC[NH+]1CCCCC1)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029340052	0	55	0.0	-72.84	425.35	1.18	-71.66
CC(C)(C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+]1CCCCC1	REAL300029340077	0	55	0.0	-68.49	409.03	0.94	-67.55
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1C[NH+]2CCC1CC2	REAL300029340095	0	50	0.0	-73.96	381.01	-0.27	-74.23
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CCCC2CCC[N@@H+]21	REAL300029340149	0	53	0.0	-67.02	395.54	0.55	-66.47
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CCCC2CCC[N@H+]21	REAL300029340149	1	53	0.0	-68.98	395.15	0.45	-68.53
C[NH+](C)CCN1C=C(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C=N1	REAL300029340151	0	52	0.0	-82.51	423.19	-0.59	-83.10
C[NH+](C)CCN1C=CC(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)=N1	REAL300029340165	0	52	0.0	-80.50	424.11	-0.48	-80.98
C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC[N@@H+]1C	REAL300029340171	0	49	0.0	-76.43	376.38	-0.86	-77.29
C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC[N@H+]1C	REAL300029340171	1	49	0.0	-73.94	382.25	-0.75	-74.69
CCC1=[NH+]C=CN1C(C)CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029340174	1	53	0.0	-66.72	425.64	1.18	-65.54
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC[N@@H+]1C	REAL300029340177	0	52	0.0	-72.90	396.38	-0.30	-73.20
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC[N@H+]1C	REAL300029340177	1	52	0.0	-72.62	401.90	-0.00	-72.62
CC[N@@H+]1CCOC(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029340201	1	50	0.0	-75.17	387.46	-1.06	-76.23
CC[N@H+]1CCOC(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029340201	1	50	0.0	-71.85	386.94	-1.14	-72.99
CC[NH+](CC)CC(F)C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029340258	0	51	0.0	-73.15	400.79	-0.18	-73.33
C[NH+](C)CC1=C(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)SC=C1	REAL300029340259	0	49	0.0	-65.36	404.52	0.52	-64.84
CC1CCC(C)[NH+]1CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029340357	0	52	0.0	-67.60	397.43	0.02	-67.58
O=C(CCC[NH+]1CCCC1)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029340364	0	52	0.0	-72.61	408.64	0.42	-72.19
C[NH+](C)CC1=CC=CC(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)=C1	REAL300029340365	0	52	0.0	-75.81	418.00	1.44	-74.37
C#CC[NH+]1CCC(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300029340372	0	51	0.0	-75.91	409.08	0.77	-75.14
O=C(CC[NH+]1CCCCC1)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029340373	0	52	0.0	-74.85	402.42	0.32	-74.53
C[NH+](C)CC1=CC=CC=C1C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029340377	0	52	0.0	-66.69	409.05	1.75	-64.94
CC[N@@H+]1CCCCC1C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029340386	0	52	0.0	-67.33	390.20	0.02	-67.31
CC[N@H+]1CCCCC1C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029340386	1	52	0.0	-68.27	398.66	0.15	-68.12
CC(C)C(C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+]1CCCCC1	REAL300029340387	0	58	0.0	-67.02	424.18	1.83	-65.19
C[NH+](C)C(C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1=CC=CC=C1	REAL300029340390	1	52	0.0	-73.59	413.60	1.40	-72.19
CC(C)C[N@@H+]1CCC(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029340413	0	55	0.0	-74.37	423.68	0.91	-73.46
CC(C)C[N@H+]1CCC(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029340413	1	55	0.0	-71.82	424.26	0.95	-70.87
C[NH+](C)C1(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CCC1	REAL300029340417	0	49	0.0	-76.45	374.00	-0.58	-77.03
C[NH+](C)C(CN1C=CC=N1)C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029340419	1	52	0.0	-71.71	416.36	-0.10	-71.81
CC(C)[N@@H+]1CCCC1CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029340424	0	55	0.0	-66.04	411.42	0.06	-65.98
CC(C)[N@H+]1CCCC1CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029340424	1	55	0.0	-69.83	421.59	0.66	-69.17
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CCC[N@@H+]1C1CCCC1	REAL300029340425	0	56	0.0	-73.40	414.88	1.27	-72.13
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CCC[N@H+]1C1CCCC1	REAL300029340425	1	56	0.0	-71.83	416.33	1.32	-70.51
CC(C)[C@@H](C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+](C)C	REAL300029340446	0	51	0.0	-70.51	389.87	0.15	-70.36
C[N@H+](CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CCC1	REAL300029340507	0	49	0.0	-69.15	385.90	-0.05	-69.20
C[N@@H+](CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CCC1	REAL300029340507	1	49	0.0	-69.62	385.92	-0.03	-69.65
CC(C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+]1C(C)CCC1C	REAL300029340587	0	55	0.0	-65.15	409.20	0.43	-64.72
CN(CCC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1=CC=[NH+]C=C1	REAL300029340655	0	51	0.0	-68.75	414.41	-0.36	-69.11
C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029340667	1	48	0.0	-72.24	385.35	-0.29	-72.53
C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029340667	1	48	0.0	-68.71	391.81	0.30	-68.41
C[N@@H+]1CCCC1CCC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029340676	0	52	0.0	-73.36	400.41	0.00	-73.36
C[N@H+]1CCCC1CCC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029340676	1	52	0.0	-75.42	402.04	0.33	-75.09
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C12CCC[NH+](CCC1)C2	REAL300029340688	0	53	0.0	-74.49	395.90	0.17	-74.32
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CCC2CCCC[N@@H+]21	REAL300029340696	0	53	0.0	-65.55	407.35	0.93	-64.62
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CCC2CCCC[N@H+]21	REAL300029340696	1	53	0.0	-69.21	400.57	0.41	-68.80
CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029340704	0	56	0.0	-72.05	423.45	-0.82	-72.87
O=C(CCCC[NH+]1CCCC1)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029340724	0	55	0.0	-75.48	428.82	1.23	-74.25
C[N@H+](CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)CC1=CC=CC=C1	REAL300029340726	1	52	0.0	-75.28	416.34	1.56	-73.72
C[N@@H+](CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)CC1=CC=CC=C1	REAL300029340726	1	52	0.0	-77.53	415.22	1.57	-75.96
C[NH+]1CCC(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300029340741	0	49	0.0	-75.85	384.27	-0.36	-76.21
C[NH+](C)CC1=CC(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)=NO1	REAL300029340798	1	48	0.0	-79.84	397.95	-1.07	-80.91
CC1=C(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C=CC2=C[NH+]=CN21	REAL300029340800	0	47	0.0	-74.10	382.57	1.84	-72.26
C[N@@H+]1CCCCC1C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029340839	0	49	0.0	-68.94	381.64	-0.44	-69.38
C[N@H+]1CCCCC1C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029340839	1	49	0.0	-69.04	380.85	-0.49	-69.53
CC(C)C[N@@H+]1CCCC1C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029340869	0	55	0.0	-67.73	424.33	1.19	-66.54
CC(C)C[N@H+]1CCCC1C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029340869	1	55	0.0	-72.44	412.85	1.19	-71.25
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1=CN2C=[NH+]C=C2C=C1	REAL300029341015	0	44	0.0	-75.47	369.04	1.40	-74.07
CC1=[NH+]C=CN1CCCC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029341027	1	50	0.0	-69.85	410.82	0.86	-68.99
O=C(CCCC[NH+]1CCOCC1)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029341031	1	56	0.0	-76.56	437.95	-0.44	-77.00
C[NH+](C)CC1=CC=C(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C=C1	REAL300029341037	0	52	0.0	-81.69	416.65	1.46	-80.23
O=C(CC[NH+]1CCOCC1)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029341038	1	50	0.0	-77.80	393.79	-2.02	-79.82
CCC[NH+](CCC)CCCC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029341061	0	60	0.0	-75.45	456.61	1.90	-73.55
CC1=C[NH+]=CN1CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029341081	1	44	0.0	-73.96	368.28	0.32	-73.64
O=C(CN1C=[NH+]C2=C1CCCC2)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029341090	1	51	0.0	-70.91	411.45	2.02	-68.89
C[NH+](C)CC1(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CCCCC1	REAL300029341132	0	58	0.0	-69.46	427.01	1.35	-68.11
C[N@H+](CCC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CCCCC1	REAL300029341138	0	58	0.0	-73.77	438.26	1.54	-72.23
C[N@@H+](CCC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CCCCC1	REAL300029341138	1	58	0.0	-73.47	438.26	1.54	-71.93
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C12CCC[NH+]1CCC2	REAL300029341141	0	50	0.0	-73.89	381.40	-0.28	-74.17
C[NH+](C)C1CCCC(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029341180	0	55	0.0	-72.43	418.67	0.80	-71.63
C[N@@H+]1CCC(CC(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029341184	0	49	0.0	-73.55	386.65	-0.51	-74.06
C[N@H+]1CCC(CC(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029341184	1	49	0.0	-75.95	384.92	-0.45	-76.40
CN(C)C1=CC=[NH+]C=C1C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029341197	0	48	0.0	-80.13	389.20	-1.23	-81.36
CCC(C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+](C)C	REAL300029341203	0	48	0.0	-70.15	369.19	-1.05	-71.20
C[NH+](C)C1(CC(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CCCC1	REAL300029341223	0	55	0.0	-73.87	403.55	0.40	-73.47
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1=CC2=C[NH+]=CN2C=C1	REAL300029341284	1	44	0.0	-79.07	368.92	1.48	-77.59
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300029341325	1	47	0.0	-80.87	399.54	-0.60	-81.47
C[NH+](C)CCCCC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029341356	0	51	0.0	-74.64	405.04	0.11	-74.53
CC(C)C(C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+](C)C	REAL300029341377	0	51	0.0	-68.80	389.29	0.18	-68.62
CCC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029341379	0	51	0.0	-75.83	400.12	-0.06	-75.89
CCC[N@@H+](C)CCC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029341379	1	51	0.0	-75.68	400.11	-0.06	-75.74
CCC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029341385	0	48	0.0	-71.35	378.92	-0.63	-71.98
CCC[N@@H+](C)CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029341385	1	48	0.0	-73.41	377.74	-0.61	-74.02
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C12CC[N@H+](C1)CCC2	REAL300029341414	0	50	0.0	-72.05	381.14	-0.78	-72.83
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C12CC[N@@H+](C1)CCC2	REAL300029341414	1	50	0.0	-72.99	381.44	-0.83	-73.82
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029341472	0	46	0.0	-70.72	358.41	-1.48	-72.20
C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029341472	1	46	0.0	-67.99	364.51	-0.93	-68.92
CC1CC2CCC(C(=O)NC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3O)C[N@@H+]2C1	REAL300029341497	0	56	0.0	-63.54	421.54	1.56	-61.98
CC1CC2CCC(C(=O)NC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3O)C[N@H+]2C1	REAL300029341497	1	56	0.0	-72.18	426.90	1.26	-70.92
CCCCCC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029341542	0	57	0.0	-72.57	443.41	1.72	-70.85
CCCCCC[N@@H+](C)CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029341542	1	57	0.0	-74.59	442.23	1.73	-72.86
CC[NH+](CC)C(C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C(C)C	REAL300029341550	0	57	0.0	-69.01	420.81	1.09	-67.92
CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029341559	0	48	0.0	-69.39	375.78	-0.67	-70.06
CCC[N@@H+]1CCCC(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029341592	0	55	0.0	-66.91	416.01	1.19	-65.72
CCC[N@H+]1CCCC(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029341592	1	55	0.0	-66.44	417.34	1.16	-65.28
CC(C)[N@@H+]1CCOC(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029341614	0	53	0.0	-73.38	404.50	-0.59	-73.97
CC(C)[N@H+]1CCOC(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029341614	1	53	0.0	-77.86	411.77	-0.44	-78.30
CC1CC[NH+](CC(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300029341652	0	52	0.0	-71.46	402.26	0.45	-71.01
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300029341680	1	47	0.0	-79.74	399.14	-0.60	-80.34
C[NH+]1CCC(OCC(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300029341689	0	53	0.0	-78.19	419.80	0.05	-78.14
C[NH+](C)CC1(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300029341705	0	49	0.0	-74.07	391.54	-0.30	-74.37
CC1=[NH+]C=C2CCC(C(=O)NC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3O)CN21	REAL300029341706	1	51	0.0	-68.43	406.10	0.73	-67.70
CC(C)[NH+]1CCC(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300029341802	0	55	0.0	-71.92	415.07	0.58	-71.34
C[NH+]1CCC(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300029341830	0	49	0.0	-75.85	384.27	-0.36	-76.21
CC(C)[C@H](C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+](C)C	REAL300029341851	0	51	0.0	-70.43	388.11	0.06	-70.37
CCC(C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+](CC)CC	REAL300029341886	0	54	0.0	-65.08	405.97	0.25	-64.83
CC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029341969	0	48	0.0	-75.18	378.62	-0.80	-75.98
CC[N@@H+](C)CCC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029341969	1	48	0.0	-72.87	379.77	-0.83	-73.70
CC1CCC[N@@H+]1CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029342038	0	49	0.0	-70.87	384.14	-0.31	-71.18
CC1CCC[N@H+]1CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029342038	1	49	0.0	-67.90	378.53	-0.67	-68.57
CC1CC[N@H+](CC(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029342040	0	49	0.0	-70.53	385.81	-0.30	-70.83
CC1CC[N@@H+](CC(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029342040	1	49	0.0	-72.49	385.08	-0.45	-72.94
CC(C)(C)[N@@H+]1CCC(F)(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029342041	0	55	0.0	-66.53	421.71	0.21	-66.32
CC(C)(C)[N@H+]1CCC(F)(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029342041	1	55	0.0	-71.35	420.52	0.27	-71.08
CC1=[NH+]C=C2CC(C(=O)NC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3O)CCN21	REAL300029342043	1	51	0.0	-69.70	408.33	0.69	-69.01
CC1(C)CC[N@H+](CC(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029342046	0	52	0.0	-72.65	403.67	0.20	-72.45
CC1(C)CC[N@@H+](CC(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029342046	1	52	0.0	-73.20	404.31	0.16	-73.04
C[N@H+](CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)CC(C)(C)C	REAL300029342047	0	54	0.0	-70.82	409.31	0.46	-70.36
C[N@@H+](CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)CC(C)(C)C	REAL300029342047	1	54	0.0	-71.12	409.47	0.52	-70.60
CC[C@@H](C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+](C)C	REAL300029342058	0	48	0.0	-72.04	369.28	-1.07	-73.11
CC(COCC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+]1CCCC1	REAL300029342066	0	56	0.0	-71.10	438.22	0.73	-70.37
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1	REAL300029342151	0	56	0.0	-74.30	430.96	1.57	-72.73
C[NH+]1CCC(O)(CC(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300029342292	0	53	0.0	-73.46	410.23	-1.72	-75.18
COCC[N@@H+]1CCCC1CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029342299	0	56	0.0	-64.10	429.39	-0.17	-64.27
COCC[N@H+]1CCCC1CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029342299	1	56	0.0	-71.72	430.84	-0.94	-72.66
C[NH+](C)CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029342307	0	42	0.0	-73.76	338.52	-2.03	-75.79
O=C(C[NH+]1CCC(CO)CC1)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029342312	1	53	0.0	-74.03	413.25	-2.88	-76.91
O=C(C[NH+]1CCCCCC1)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029342316	0	52	0.0	-72.09	389.61	0.03	-72.06
CN1C=C[N+](CC(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)=C1	REAL300029342321	0	44	0.0	-69.16	371.08	1.45	-67.71
C[N@@H+]1CCCC(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029342332	0	49	0.0	-74.28	383.27	-0.43	-74.71
C[N@H+]1CCCC(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029342332	1	49	0.0	-66.74	378.15	-0.23	-66.97
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CCC[N@@H+]1C1CC1	REAL300029342337	0	50	0.0	-68.59	396.39	0.43	-68.16
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CCC[N@H+]1C1CC1	REAL300029342337	1	50	0.0	-67.65	389.98	-0.13	-67.78
CC(C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+]1CCC1	REAL300029342372	1	46	0.0	-68.60	367.62	-0.91	-69.51
CCC(CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C[NH+](C)C	REAL300029342381	0	54	0.0	-77.24	414.53	0.59	-76.65
C[NH+](C)CC(C)(C)C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029342389	0	51	0.0	-74.65	387.63	-0.17	-74.82
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C12CC(C1)C[N@@H+]2C1CC1	REAL300029342409	0	51	0.0	-70.38	389.89	0.41	-69.97
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C12CC(C1)C[N@H+]2C1CC1	REAL300029342409	1	51	0.0	-68.98	395.09	1.25	-67.73
O=C(C[NH+]1CCC(O)CC1)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029342429	1	50	0.0	-75.64	393.04	-3.52	-79.16
C[N@H+](CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CC1	REAL300029342430	0	46	0.0	-70.28	367.78	-0.62	-70.90
C[N@@H+](CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CC1	REAL300029342430	1	46	0.0	-71.18	367.93	-0.62	-71.80
CC(C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)N1CC[NH+](C)CC1	REAL300029342431	1	54	0.0	-74.78	409.81	-2.27	-77.05
C[NH+]1CC(CC(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029342456	0	46	0.0	-73.33	371.27	-1.23	-74.56
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CC[N@@H+]1C1CCCC1	REAL300029342460	0	53	0.0	-69.83	405.86	0.43	-69.40
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CC[N@H+]1C1CCCC1	REAL300029342460	1	53	0.0	-73.03	409.81	0.74	-72.29
CC(C)(C)[N@@H+]1CCC1C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029342468	0	52	0.0	-69.37	383.31	-0.42	-69.79
CC(C)(C)[N@H+]1CCC1C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029342468	1	52	0.0	-67.92	401.20	-0.28	-68.20
C[C@@H](C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+](C)C	REAL300029342481	0	45	0.0	-73.20	356.98	-1.70	-74.90
CCC1CCC[N@H+](CC(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029342530	0	55	0.0	-73.46	419.68	1.06	-72.40
CCC1CCC[N@@H+](CC(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029342530	1	55	0.0	-73.76	419.85	1.04	-72.72
C[NH+](C)CC1=CC=C(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)N1	REAL300029342539	0	50	0.0	-79.18	406.68	-0.88	-80.06
C[NH+]1C2CCC1CC(CC(=O)NC[C@H]1CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]1O)C2	REAL300029342553	0	56	0.0	-71.55	418.33	0.90	-70.65
[NH2+]=C1SC=CN1CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029342597	0	42	0.0	-70.47	365.58	-1.84	-72.31
C[N@H+](CCO)CCC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029342610	0	49	0.0	-72.63	390.13	-4.03	-76.66
C[N@@H+](CCO)CCC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029342610	1	49	0.0	-72.73	390.08	-4.04	-76.77
C[C@@H](C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+](C)C	REAL300029342611	0	45	0.0	-73.20	356.98	-1.70	-74.90
C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029342615	0	49	0.0	-68.70	372.33	-0.61	-69.31
C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029342615	1	49	0.0	-67.33	381.87	-0.49	-67.82
CC1CN2CC[N@@H+]1CC2C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029342625	0	52	0.0	-76.54	392.62	-3.07	-79.61
CC1CN2CC[N@H+]1CC2C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029342625	1	52	0.0	-72.64	392.20	-3.06	-75.70
COC1C[N@@H+]2CCCC2(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029342669	0	54	0.0	-72.43	417.45	-1.02	-73.45
COC1C[N@H+]2CCCC2(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029342669	1	54	0.0	-69.39	417.80	-1.05	-70.44
O=C(CC1=CC2=C[NH+]=CN2C=C1)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029342684	0	47	0.0	-72.04	394.09	2.16	-69.88
C[N@H+](CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CCSC1	REAL300029342712	0	50	0.0	-76.23	400.49	0.16	-76.07
C[N@@H+](CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CCSC1	REAL300029342712	1	50	0.0	-76.65	398.95	0.22	-76.43
O=C(C[NH+]1CCC1)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029342713	1	43	0.0	-73.42	348.61	-1.60	-75.02
C[NH+](C)CC1=CC(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)=CC=N1	REAL300029342750	1	51	0.0	-74.48	413.06	-0.43	-74.91
C[N@@H+]1CCC(=CC(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029342752	0	47	0.0	-77.85	376.41	-0.46	-78.31
C[N@H+]1CCC(=CC(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029342752	1	47	0.0	-76.01	377.77	-0.48	-76.49
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1C[NH+](C2CCCCC2)C1	REAL300029342778	0	56	0.0	-75.58	431.11	1.29	-74.29
C[NH+](C)CCOCC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029342794	0	49	0.0	-72.00	395.55	-0.97	-72.97
CCCCC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029342801	0	57	0.0	-74.61	444.27	1.49	-73.12
CCCCC[N@@H+](C)CCC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029342801	1	57	0.0	-74.56	444.27	1.49	-73.07
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)O1	REAL300029342811	0	53	0.0	-73.61	416.60	0.24	-73.37
C=CCC(C)(C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+](C)C	REAL300029342821	0	52	0.0	-76.05	393.58	0.16	-75.89
C[S+](C)CCC(O)C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029342826	0	48	0.0	-73.11	404.69	-2.38	-75.49
C[N@@H+]1CC(O)CC1(C)C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029342859	0	50	0.0	-75.55	387.24	-3.99	-79.54
C[N@H+]1CC(O)CC1(C)C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029342859	1	50	0.0	-79.33	386.37	-3.75	-83.08
CN1CC[N@H+](C)CC(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029342874	0	54	0.0	-70.39	409.79	-1.84	-72.23
CN1CC[N@@H+](C)CC(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029342874	1	54	0.0	-72.05	409.00	-1.90	-73.95
CC(C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[N@@H+]1CCCC(O)C1	REAL300029342875	0	53	0.0	-68.81	408.65	-2.92	-71.73
CC(C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[N@H+]1CCCC(O)C1	REAL300029342875	1	53	0.0	-69.48	409.39	-3.12	-72.60
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1C[NH+](C2CCOC2)C1	REAL300029342878	0	51	0.0	-75.69	406.38	-1.69	-77.38
O=C(C[NH+]1CCC(CO)CC1)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029342890	1	53	0.0	-74.03	413.25	-2.88	-76.91
C[N@@H+]1CCCC(O)(CC(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029342900	0	53	0.0	-72.93	405.92	-1.60	-74.53
C[N@H+]1CCCC(O)(CC(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029342900	1	53	0.0	-66.96	409.71	-1.65	-68.61
CC1C[NH+](CC(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029342904	1	46	0.0	-71.49	370.96	-0.93	-72.42
NC(=O)C1CC[NH+](CC(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300029342909	0	53	0.0	-81.51	417.48	-3.51	-85.02
C[N@H+](CCO)CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029342934	1	46	0.0	-74.40	366.59	-4.59	-78.99
C[N@@H+](CCO)CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029342934	1	46	0.0	-73.33	366.34	-4.59	-77.92
C[NH+]1C2CCC1CC(=CC(=O)NC[C@H]1CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]1O)C2	REAL300029342957	0	54	0.0	-73.80	412.00	0.87	-72.93
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1C[N@@H+]2CCN1CCC2	REAL300029342962	0	52	0.0	-80.40	386.70	-2.25	-82.65
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1C[N@H+]2CCN1CCC2	REAL300029342962	1	52	0.0	-78.20	387.99	-2.76	-80.96
CC[N@@H+]1CCCC(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029342970	0	52	0.0	-65.30	395.69	0.45	-64.85
CC[N@H+]1CCCC(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029342970	1	52	0.0	-73.42	401.11	0.20	-73.22
CC(CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C[NH+](C)C	REAL300029342972	0	51	0.0	-76.88	395.64	-0.06	-76.94
CC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029342988	0	45	0.0	-71.01	357.42	-1.36	-72.37
CC[N@@H+](C)CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029342988	1	45	0.0	-71.07	357.41	-1.36	-72.43
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C12CCC[N@@H+]1CCCC2	REAL300029343016	0	53	0.0	-68.09	392.82	0.49	-67.60
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C12CCC[N@H+]1CCCC2	REAL300029343016	1	53	0.0	-68.00	392.56	0.59	-67.41
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C12CCC[N@@H+]1CC=CC2	REAL300029343025	0	51	0.0	-68.45	386.46	0.29	-68.16
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C12CCC[N@H+]1CC=CC2	REAL300029343025	1	51	0.0	-74.09	385.51	0.57	-73.52
CC[N@H+](CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CC1	REAL300029343050	0	49	0.0	-67.85	389.06	0.00	-67.85
CC[N@@H+](CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CC1	REAL300029343050	1	49	0.0	-68.11	389.09	0.04	-68.07
C[NH+](C)C1(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CCCSC1	REAL300029343053	0	53	0.0	-77.18	401.88	0.58	-76.60
CC[NH+](CC)CCC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029343075	0	51	0.0	-72.08	397.63	-0.10	-72.18
C[NH+]1CCC(=CC(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300029343092	0	50	0.0	-76.49	392.40	0.22	-76.27
CC1(C)C[NH+](CC(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029343107	1	49	0.0	-71.44	390.30	-0.41	-71.85
O=C(CCCC[NH+]1CCCCC1)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029343113	0	58	0.0	-73.43	446.22	1.96	-71.47
CC1(O)CC[N@H+](CC(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029343146	0	50	0.0	-73.11	394.74	-3.68	-76.79
CC1(O)CC[N@@H+](CC(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029343146	1	50	0.0	-70.38	395.86	-3.64	-74.02
C[NH+](C)CC=CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029343158	0	46	0.0	-79.19	374.84	-0.86	-80.05
CC(OCC[NH+](C)C)C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029343182	0	52	0.0	-75.11	414.52	-0.32	-75.43
C[NH+](C)CCOCCC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029343193	0	52	0.0	-72.85	416.50	-1.23	-74.08
COCC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029343194	1	49	0.0	-72.96	388.59	-2.18	-75.14
COCC[N@@H+](C)CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029343194	1	49	0.0	-72.43	390.02	-2.19	-74.62
COCCCC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029343222	0	58	0.0	-77.34	456.45	-0.22	-77.56
COCCCC[N@@H+](C)CCC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029343222	1	58	0.0	-77.31	456.44	-0.22	-77.53
C[NH+](C)C1(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CCCC1	REAL300029343247	0	52	0.0	-77.22	390.88	0.44	-76.78
CC(CCC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+](C)C	REAL300029343250	0	51	0.0	-75.79	391.87	-0.29	-76.08
CC[N@@H+]1CCC1C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029343260	1	46	0.0	-68.97	364.47	-1.31	-70.28
CC[N@H+]1CCC1C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029343260	1	46	0.0	-69.32	363.95	-1.34	-70.66
CC(C)[N@@H+]1CCCC(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029343271	0	55	0.0	-64.41	412.49	0.95	-63.46
CC(C)[N@H+]1CCCC(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029343271	1	55	0.0	-65.53	412.47	0.95	-64.58
O=C(C[N@H+]1CCCC1CO)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029343285	0	50	0.0	-70.61	384.31	-3.49	-74.10
O=C(C[N@@H+]1CCCC1CO)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029343285	1	50	0.0	-72.87	391.86	-3.52	-76.39
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CC2CCCC[N@@H+]2C1	REAL300029343311	0	53	0.0	-71.84	406.18	0.63	-71.21
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CC2CCCC[N@H+]2C1	REAL300029343311	1	53	0.0	-70.10	405.78	0.71	-69.39
C[NH+]1CCC(C)(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300029343318	0	52	0.0	-68.57	396.95	0.06	-68.51
C[NH+](C)CC1=CNC(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)=C1	REAL300029343324	0	50	0.0	-78.18	404.86	-0.76	-78.94
CC(C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+]1CCC(O)CC1	REAL300029343343	0	53	0.0	-72.04	410.74	-3.15	-75.19
C=CCC(C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+](C)C	REAL300029343358	0	49	0.0	-68.61	383.55	-0.54	-69.15
C[N@@H+]1CC(C)(C)CC1C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029343376	0	52	0.0	-68.77	399.73	-0.35	-69.12
C[N@H+]1CC(C)(C)CC1C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029343376	1	52	0.0	-73.77	399.09	-0.46	-74.23
C[NH+](C)CCCCCC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029343381	0	54	0.0	-74.35	426.54	0.90	-73.45
O=C(C[NH+]1CC2CC2C1)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029343391	0	47	0.0	-71.18	375.41	-0.14	-71.32
CC1C[N@@H+]2CCN1C(C(=O)NC[C@H]1CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]1O)C2	REAL300029343426	0	52	0.0	-77.76	391.83	-3.03	-80.79
CC1C[N@H+]2CCN1C(C(=O)NC[C@H]1CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]1O)C2	REAL300029343426	1	52	0.0	-78.98	392.90	-3.09	-82.07
CCCC(C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+](C)C	REAL300029343427	0	51	0.0	-71.80	392.98	-0.17	-71.97
C[NH+](C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029343432	0	48	0.0	-76.14	365.74	-0.84	-76.98
C[N@@H+]1CCCCC1C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029343482	0	49	0.0	-68.94	381.64	-0.44	-69.38
C[N@H+]1CCCCC1C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029343482	1	49	0.0	-69.04	380.85	-0.49	-69.53
C[N@H+]1CC=C(CC(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300029343532	0	50	0.0	-74.18	398.01	0.25	-73.93
C[N@@H+]1CC=C(CC(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300029343532	1	50	0.0	-70.65	399.01	0.27	-70.38
O=C(CC1([NH+]2CCCC2)CC1)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029343542	0	53	0.0	-70.74	404.62	0.73	-70.01
C[N@@H+]1CCCC(C(C)(C)C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029343598	0	58	0.0	-77.56	421.24	0.60	-76.96
C[N@H+]1CCCC(C(C)(C)C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029343598	1	58	0.0	-77.56	421.24	0.60	-76.96
CN(C)CC1=CC=C(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)O1	REAL300029343603	0	49	0.0	-76.67	404.38	-0.24	-76.91
C[NH+](C)CC1=CC=C(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)O1	REAL300029343603	1	49	0.0	-76.67	404.38	-0.24	-76.91
O=C(C=CC[NH+]1CCCC1)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029343625	0	50	0.0	-77.94	401.18	0.34	-77.60
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CC[NH+](C2CC2)CC1	REAL300029343652	0	53	0.0	-74.16	407.94	0.83	-73.33
O=C(CC[NH+]1CCCC1)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029343677	0	49	0.0	-75.32	386.46	-0.40	-75.72
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1C[NH+]2CCN1CC2	REAL300029343722	0	49	0.0	-82.35	375.01	-3.59	-85.94
C[N@@H+]1CC2CC1(C(=O)NC[C@H]1CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]1O)C2	REAL300029343733	0	47	0.0	-72.63	370.69	-0.95	-73.58
O=C(C[N@@H+]1CC2CCC1C2)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029343748	0	50	0.0	-69.24	386.25	0.04	-69.20
O=C(C[N@H+]1CC2CCC1C2)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029343748	1	50	0.0	-69.24	386.25	0.04	-69.20
CC(C)[NH+]1CCC(CC(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300029343760	0	58	0.0	-70.55	433.53	1.27	-69.28
O=C(C=C1C[NH+]2CCC1CC2)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029343810	0	51	0.0	-71.11	395.22	0.34	-70.77
O=C(CN1CC2C=CC1C2)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029343822	0	48	0.0	-71.44	377.99	-0.06	-71.50
O=C(C[N@@H+]1CC2C=CC1C2)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029343822	1	48	0.0	-71.56	378.24	-0.10	-71.66
O=C(C[N@H+]1CC2C=CC1C2)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029343822	1	48	0.0	-71.56	378.24	-0.10	-71.66
CC[NH+]1CCN(CC(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300029343860	0	54	0.0	-72.08	415.94	-1.89	-73.97
CC(C[NH+](C)C)C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029343885	0	48	0.0	-72.55	378.25	-0.78	-73.33
C[N@@H+]1CCCCC1CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029343981	0	52	0.0	-75.50	397.76	0.15	-75.35
C[N@H+]1CCCCC1CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029343981	1	52	0.0	-64.32	391.14	0.06	-64.26
CC1=C2C=C(C(=O)NC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3O)C=CN2C=[NH+]1	REAL300029344003	1	47	0.0	-77.56	391.22	2.00	-75.56
CC(C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+]1CC(C)C1	REAL300029344004	1	49	0.0	-68.50	388.45	-0.30	-68.80
CC1CC[N@@H+]1CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029344008	1	46	0.0	-69.15	365.47	-1.22	-70.37
CC1CC[N@H+]1CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029344008	1	46	0.0	-69.35	365.65	-1.25	-70.60
C[NH+](C)CC(O)CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029344013	0	49	0.0	-76.86	392.17	-2.99	-79.85
CC1C[N@H+](C)CC(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)O1	REAL300029344049	1	50	0.0	-81.78	397.97	-0.82	-82.60
CC1C[N@@H+](C)CC(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)O1	REAL300029344049	1	50	0.0	-82.93	391.18	-1.30	-84.23
O=C(CC[NH+]1CCC(O)CC1)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029344061	0	53	0.0	-75.94	414.94	-2.98	-78.92
CCC[N@@H+]1CCCCC1C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029344064	0	55	0.0	-70.84	420.17	0.90	-69.94
CCC[N@H+]1CCCCC1C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029344064	1	55	0.0	-68.53	420.16	0.91	-67.62
CC[NH+]1CCN(CCC(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300029344069	0	57	0.0	-75.00	436.58	-1.40	-76.40
CCN1CC[NH+](CCC(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300029344069	1	57	0.0	-75.80	435.96	-1.50	-77.30
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300029344072	0	56	0.0	-74.79	408.88	0.73	-74.06
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300029344072	1	56	0.0	-64.31	414.57	1.42	-62.89
CC(C)C[NH+]1CCC(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300029344117	0	58	0.0	-74.94	440.53	1.72	-73.22
C[NH+](C)C1CCN(CC(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300029344142	0	57	0.0	-73.67	433.63	-1.33	-75.00
C[NH+](C)[C@H]1C[C@H](C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029344163	0	49	0.0	-73.48	388.96	-0.27	-73.75
CC(CC[NH+](C)C)C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029344171	0	51	0.0	-76.12	398.91	-0.20	-76.32
C[N@H+](CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[C@@H]1CCC[C@H]1O	REAL300029344204	0	53	0.0	-71.06	409.51	-2.82	-73.88
C[N@@H+](CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[C@@H]1CCC[C@H]1O	REAL300029344204	1	53	0.0	-70.99	409.25	-2.64	-73.63
C#CC[N@H+]1CCCCC1C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029344213	1	51	0.0	-67.08	407.16	0.73	-66.35
C#CC[N@@H+]1CCCCC1C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029344213	1	51	0.0	-68.36	406.69	0.81	-67.55
C[NH+]1CCN(CC(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300029344219	1	51	0.0	-73.26	398.71	-2.53	-75.79
CC[NH+]1CCN(CC(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300029344228	0	54	0.0	-72.08	415.94	-1.89	-73.97
NC(=[NH2+])SCC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029344259	0	40	0.0	-73.12	347.61	-5.08	-78.20
CC[N@@H+]1CCOCC1CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029344305	0	53	0.0	-72.30	402.82	-1.66	-73.96
C[NH+](C)CCC1(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CCCC1	REAL300029344324	0	58	0.0	-71.11	439.74	1.57	-69.54
CC1CCCC(C)[NH+]1CCC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029344326	0	58	0.0	-71.59	429.12	1.09	-70.50
C[NH+](C)C1CCC(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300029344329	0	55	0.0	-66.74	411.98	0.66	-66.08
C[NH+](C)CCC1(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300029344330	0	52	0.0	-70.04	415.96	0.46	-69.58
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC1	REAL300029344334	0	55	0.0	-71.03	411.70	0.69	-70.34
C[N@@H+]1CC=CCC1CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029344335	0	50	0.0	-77.17	390.06	-0.01	-77.18
C[N@H+]1CC=CCC1CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029344335	1	50	0.0	-77.17	390.06	-0.01	-77.18
C[C@@H](OCC[NH+](C)C)C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029344364	0	52	0.0	-71.77	414.53	-0.34	-72.11
C[NH+]1C2CCC1CC(C(=O)NC[C@H]1CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]1O)C2	REAL300029344398	0	53	0.0	-70.21	382.78	0.50	-69.71
CC(C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)[NH+]1CCSCC1	REAL300029344539	1	50	0.0	-72.23	395.22	-0.21	-72.44
CCC1C[NH+](CC(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029344541	1	49	0.0	-74.28	391.14	-0.17	-74.45
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1C[NH+](C2CCOCC2)C1	REAL300029344543	0	54	0.0	-75.64	423.22	-1.03	-76.67
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1([NH+]2CCCC2)CCC1	REAL300029344545	0	53	0.0	-65.97	401.99	0.67	-65.30
C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029344556	1	46	0.0	-71.37	359.84	-1.50	-72.87
O=C(CC[N@H+]1CCC(F)C1)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029344565	1	49	0.0	-76.56	393.01	-0.22	-76.78
COC1C[N@@H+](C)C(C)(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029344574	1	53	0.0	-73.48	410.20	-1.57	-75.05
O=C(CC[NH+]1CCCCCC1)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029344587	0	55	0.0	-74.26	413.85	0.57	-73.69
O=C(C[NH+]1CCCCC1)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029344589	0	49	0.0	-72.69	380.25	-0.16	-72.85
CC1C(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC[N@@H+]1C	REAL300029344599	0	49	0.0	-69.50	385.09	-0.41	-69.91
CC1C(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)CC[N@H+]1C	REAL300029344599	1	49	0.0	-69.99	381.04	-0.85	-70.84
C[N@@H+]1CCCCC1CCC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029344601	0	55	0.0	-75.38	412.48	0.70	-74.68
C[N@H+]1CCCCC1CCC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029344601	1	55	0.0	-70.82	420.72	0.94	-69.88
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CC[N@@H+]2CCOCC12	REAL300029344635	0	51	0.0	-71.04	393.98	-1.76	-72.80
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CC[N@H+]2CCOCC12	REAL300029344635	1	51	0.0	-72.74	393.79	-1.72	-74.46
CC1=[NH+]C=C2C=CC(C(=O)NC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3O)=CN21	REAL300029344643	0	47	0.0	-71.87	390.46	1.19	-70.68
CN1CCOCC1CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029344662	0	50	0.0	-80.34	389.51	-2.26	-82.60
C[N@@H+]1CCOCC1CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029344662	1	50	0.0	-71.79	381.64	-2.35	-74.14
C[N@H+]1CCOCC1CC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029344662	1	50	0.0	-80.34	389.51	-2.26	-82.60
CC1=C(C)[NH+]=C(CCC(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)N1	REAL300029344672	1	50	0.0	-67.31	410.08	-0.77	-68.08
CC(C)C[N@@H+]1CCCC(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029344687	0	58	0.0	-65.77	434.60	1.86	-63.91
CC(C)C[N@H+]1CCCC(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C1	REAL300029344687	1	58	0.0	-70.39	440.62	1.70	-68.69
C[N@@H+]1CCCC1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029344854	0	46	0.0	-74.54	361.45	-1.46	-76.00
C[N@H+]1CCCC1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029344854	1	46	0.0	-72.55	363.46	-1.09	-73.64
C[N@@H+]1CCOC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029344880	1	47	0.0	-89.99	375.00	-1.59	-91.58
C[N@H+]1CCOC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029344880	1	47	0.0	-77.56	367.92	-1.80	-79.36
CC1=[NH+]C=CN1CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029345049	1	50	0.0	-75.79	412.44	1.01	-74.78
O=C(CCCC[NH+]1CCOCC1)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029345053	1	56	0.0	-83.11	439.68	-0.30	-83.41
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300029345059	0	52	0.0	-71.51	414.56	1.04	-70.47
O=C(CC[NH+]1CCOCC1)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029345060	1	50	0.0	-81.17	397.58	-1.82	-82.99
CCC[NH+](CCC)CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029345083	0	60	0.0	-78.39	460.39	2.10	-76.29
O=C(NC[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029345099	0	50	0.0	-72.42	378.81	-0.53	-72.95
O=C(NC[C@H]1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029345117	1	44	0.0	-82.76	376.98	1.54	-81.22
C[NH+](C)C1CCCC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029345189	0	55	0.0	-72.75	411.42	0.78	-71.97
C[N@@H+]1CCC(CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029345193	0	49	0.0	-81.53	388.34	-0.37	-81.90
C[N@H+]1CCC(CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029345193	1	49	0.0	-80.01	387.84	-0.30	-80.31
CN(C)C1=CC=[NH+]C=C1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029345206	0	48	0.0	-67.14	387.49	-1.66	-68.80
CCC(C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029345212	0	48	0.0	-74.26	370.97	-0.87	-75.13
O=C(NC[C@H]1CN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029345221	1	47	0.0	-89.91	398.98	-0.28	-90.19
CC1CC2CCC(C(=O)N3C[C@@H](O)[C@@H](CNC(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300029345268	0	56	0.0	-75.69	425.44	1.08	-74.61
CC1CC2CCC(C(=O)N3C[C@@H](O)[C@@H](CNC(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300029345268	1	56	0.0	-69.64	419.60	1.29	-68.35
C[NH+](C)CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029345298	0	51	0.0	-80.00	407.67	0.31	-79.69
CC(C)C(C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029345321	0	51	0.0	-75.79	382.31	-0.04	-75.83
CCC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029345323	0	51	0.0	-79.32	403.91	0.14	-79.18
CCC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029345323	1	51	0.0	-79.29	403.91	0.13	-79.16
CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029345329	0	48	0.0	-75.88	381.54	-0.43	-76.31
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C[NH+](C)C1(CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029346882	0	55	0.0	-68.83	411.15	0.84	-67.99
C[N@H+](CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029347105	0	49	0.0	-73.38	388.41	0.13	-73.25
C[N@@H+](CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029347105	1	49	0.0	-73.78	388.55	0.13	-73.65
CC(C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300029347136	0	55	0.0	-72.92	410.40	0.55	-72.37
O=C(CCCC[NH+]1CCCC1)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029347153	0	55	0.0	-78.60	433.64	1.49	-77.11
C[N@H+](CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029347155	1	52	0.0	-80.65	418.97	1.73	-78.92
C[N@@H+](CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029347155	1	52	0.0	-81.30	418.07	1.68	-79.62
C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029347170	0	49	0.0	-68.90	386.21	-0.39	-69.29
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029347235	0	46	0.0	-75.29	359.89	-1.41	-76.70
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029347235	1	46	0.0	-72.74	362.52	-1.09	-73.83
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029347259	1	48	0.0	-74.29	387.09	-0.26	-74.55
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029347259	1	48	0.0	-62.55	394.66	0.26	-62.29
C[N@@H+]1CCCC1CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029347268	0	52	0.0	-82.73	408.90	0.61	-82.12
C[N@H+]1CCCC1CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029347268	1	52	0.0	-77.32	403.72	0.07	-77.25
O=C(NC[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029347280	0	53	0.0	-67.40	388.54	-0.25	-67.65
O=C(NC[C@H]1CN(C(=O)C2CCC3CCCC[N@@H+]32)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029347288	0	53	0.0	-71.77	407.22	0.85	-70.92
O=C(NC[C@H]1CN(C(=O)C2CCC3CCCC[N@H+]32)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029347288	1	53	0.0	-72.79	400.92	0.48	-72.31
CCC[N@@H+]1CCCC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029347380	0	55	0.0	-61.97	415.90	1.08	-60.89
CCC[N@H+]1CCCC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029347380	1	55	0.0	-64.80	425.74	1.02	-63.78
CC(C)[N@@H+]1CCOC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029347402	1	53	0.0	-84.75	410.12	-0.48	-85.23
CC(C)[N@H+]1CCOC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029347402	1	53	0.0	-75.64	401.77	-0.65	-76.29
CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029347421	0	56	0.0	-80.63	415.34	-1.17	-81.80
C[N@@H+]1CCCCC1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029347441	0	49	0.0	-72.63	383.25	-0.35	-72.98
C[N@H+]1CCCCC1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029347441	1	49	0.0	-77.92	374.10	-0.71	-78.63
CC(C)C[N@@H+]1CCCC1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029347472	0	55	0.0	-73.52	420.38	0.65	-72.87
CC(C)C[N@H+]1CCCC1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029347472	1	55	0.0	-73.08	422.97	1.12	-71.96
O=C(C[NH+]1CCC(CO)CC1)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029347493	0	53	0.0	-77.35	416.06	-2.68	-80.03
C[NH+]1C2CCC1CC(=CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029347530	0	54	0.0	-75.64	415.12	1.02	-74.62
CC1C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029347549	0	49	0.0	-75.82	384.04	-0.58	-76.40
CC1C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029347549	1	49	0.0	-82.35	383.48	-0.65	-83.00
C[N@@H+]1CCCCC1CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029347552	0	55	0.0	-81.46	416.74	0.83	-80.63
C[N@H+]1CCCCC1CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029347552	1	55	0.0	-75.82	423.78	1.01	-74.81
NC1=[NH+]C2=C(C=C1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C1)CCC2	REAL300029347590	1	49	0.0	-69.65	394.73	-1.19	-70.84
CC(C)(C)[N@@H+]1CCC1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029347672	0	52	0.0	-72.34	388.80	-1.21	-73.55
CC(C)(C)[N@H+]1CCC1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029347672	1	52	0.0	-72.85	383.77	-0.97	-73.82
C[C@@H](C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029347696	0	45	0.0	-74.57	357.78	-1.63	-76.20
C[NH+](C)CC1=CC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=CC=N1	REAL300029347716	1	51	0.0	-89.67	411.54	-0.68	-90.35
C=CCC(C)(C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029347722	0	52	0.0	-69.15	385.52	-0.49	-69.64
NC1=C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]C2=CC=CC=C21	REAL300029347753	1	48	0.0	-71.43	393.75	-1.76	-73.19
O=C(CC[NH+]1CCCC1)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029347757	0	49	0.0	-77.88	390.64	-0.11	-77.99
C[N@H+](CCO)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029347767	1	46	0.0	-76.76	370.40	-4.43	-81.19
C[N@@H+](CCO)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029347767	1	46	0.0	-76.41	370.18	-4.42	-80.83
O=C(NC[C@H]1CN(C(=O)C2C[N@@H+]3CCN2CCC3)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029347812	0	52	0.0	-83.58	388.64	-2.66	-86.24
O=C(NC[C@H]1CN(C(=O)C2C[N@H+]3CCN2CCC3)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029347812	1	52	0.0	-88.49	383.90	-2.50	-90.99
CC(C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300029347843	1	50	0.0	-76.27	398.41	0.05	-76.22
C[N@H+]1CC=C(CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029347891	0	50	0.0	-75.85	400.95	0.38	-75.47
C[N@@H+]1CC=C(CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029347891	1	50	0.0	-73.55	400.59	0.44	-73.11
C[S+](C)CCC(O)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029347908	0	48	0.0	-67.27	402.28	-2.45	-69.72
C[N@@H+]1CC(O)CC1(C)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029347932	0	50	0.0	-71.87	383.77	-4.39	-76.26
C[N@H+]1CC(O)CC1(C)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029347932	1	50	0.0	-82.34	380.18	-4.28	-86.62
CN1CC[N@H+](C)CC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029347948	0	54	0.0	-80.17	414.07	-2.01	-82.18
CN1CC[N@@H+](C)CC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029347948	1	54	0.0	-74.47	408.70	-2.55	-77.02
CC(C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300029347949	0	53	0.0	-73.35	411.30	-3.09	-76.44
CC(C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300029347949	1	53	0.0	-74.51	409.37	-2.91	-77.42
NC1=[NH+]C=C2CCCC2=C1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029347983	0	49	0.0	-76.10	402.40	-1.09	-77.19
C[N@@H+]1CCCC(O)(CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029347990	0	53	0.0	-76.16	410.22	-1.43	-77.59
C[N@H+]1CCCC(O)(CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029347990	1	53	0.0	-77.68	399.36	-1.64	-79.32
CC1C[NH+](CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029347997	1	46	0.0	-76.98	372.86	-0.78	-77.76
CC[N@@H+]1CCCC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029348005	0	52	0.0	-76.78	399.50	0.04	-76.74
CC[N@H+]1CCCC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029348005	1	52	0.0	-77.44	404.80	0.24	-77.20
NC1=[NH+]C=CC=C1CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029348015	0	45	0.0	-72.01	376.06	-2.16	-74.17
O=C(NC[C@H]1CN(C(=O)C2CCC[N@@H+]2C2CC2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029348030	0	50	0.0	-72.18	391.37	0.29	-71.89
O=C(NC[C@H]1CN(C(=O)C2CCC[N@H+]2C2CC2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029348030	1	50	0.0	-74.44	390.42	-0.13	-74.57
O=C(C=CC[NH+]1CCCC1)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029348083	0	50	0.0	-82.00	401.06	0.36	-81.64
O=C(NC[C@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029348112	0	53	0.0	-79.91	410.34	0.75	-79.16
CC[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029348165	0	45	0.0	-76.22	359.15	-1.24	-77.46
O=C(CN1CC2C=CC1C2)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029348232	0	48	0.0	-74.70	381.03	0.06	-74.64
O=C(C[N@@H+]1CC2C=CC1C2)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029348232	1	48	0.0	-74.17	382.11	0.05	-74.12
O=C(C[N@H+]1CC2C=CC1C2)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029348232	1	48	0.0	-74.17	382.11	0.05	-74.12
CC1=CC=C(NCCC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)N=C1	REAL300029348257	0	51	0.0	-73.22	421.17	-0.43	-73.65
CC1=CC=C(NCCC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)[NH+]=C1	REAL300029348257	1	51	0.0	-73.22	421.17	-0.43	-73.65
O=C(NC[C@H]1CN(C(=O)C23CCC[N@@H+]2CCCC3)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029348390	0	53	0.0	-70.03	388.22	-0.20	-70.23
O=C(NC[C@H]1CN(C(=O)C23CCC[N@H+]2CCCC3)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029348390	1	53	0.0	-70.03	388.22	-0.20	-70.23
O=C(NC[C@H]1CN(C(=O)C23CCC[N@@H+]2CC=CC3)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029348401	0	51	0.0	-70.65	381.91	-0.39	-71.04
O=C(NC[C@H]1CN(C(=O)C23CCC[N@H+]2CC=CC3)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029348401	1	51	0.0	-70.65	381.91	-0.39	-71.04
CC(OCC[NH+](C)C)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029348413	0	52	0.0	-78.68	413.26	-0.31	-78.99
C[NH+](C)CCOCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029348425	0	52	0.0	-78.90	418.25	-1.10	-80.00
COCCN(C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029348427	0	49	0.0	-76.18	392.43	-2.02	-78.20
COCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029348427	1	49	0.0	-77.78	391.76	-2.08	-79.86
COCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029348427	1	49	0.0	-77.78	391.76	-2.08	-79.86
CC(CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029348434	0	51	0.0	-82.47	395.95	-0.10	-82.57
CC[N@H+](CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029348470	0	49	0.0	-75.11	383.15	-0.08	-75.19
CC1C[N@@H+]2CCN1C(C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029348490	0	52	0.0	-88.19	391.36	-3.19	-91.38
C[N@@H+]1CC2CC1(C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029348525	0	47	0.0	-80.28	369.81	-0.66	-80.94
CC1=NC(N)=CC=C1C=CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029348535	0	49	0.0	-77.49	406.54	-1.22	-78.71
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029348535	1	49	0.0	-77.49	406.54	-1.22	-78.71
O=C(C[N@@H+]1CC2CCC1C2)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029348544	0	50	0.0	-73.64	385.33	-0.03	-73.67
O=C(C[N@H+]1CC2CCC1C2)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029348544	1	50	0.0	-73.64	385.33	-0.03	-73.67
CC(C)[NH+]1CCC(CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029348560	0	58	0.0	-74.42	436.17	1.50	-72.92
CC(C[NH+](C)C)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029348574	0	48	0.0	-70.30	375.29	-0.83	-71.13
CCN1CCC1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029348635	0	46	0.0	-75.66	362.57	-1.45	-77.11
CC[N@@H+]1CCC1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029348635	1	46	0.0	-75.00	364.12	-1.31	-76.31
CC[N@H+]1CCC1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029348635	1	46	0.0	-75.00	364.12	-1.31	-76.31
CC(C)[N@@H+]1CCCC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029348649	0	55	0.0	-76.23	421.41	0.77	-75.46
CC(C)[N@H+]1CCCC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029348649	1	55	0.0	-76.23	421.41	0.77	-75.46
CCC(C)(C)[NH2+]C(C)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029348671	0	54	0.0	-75.00	405.29	-1.25	-76.25
C#CCN1CCCCC1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029348725	0	51	0.0	-75.94	400.44	0.54	-75.40
C#CC[N@H+]1CCCCC1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029348725	1	51	0.0	-73.49	407.52	0.81	-72.68
C#CC[N@@H+]1CCCCC1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029348725	1	51	0.0	-73.49	407.52	0.81	-72.68
CNC1=NC(C)=CC=C1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029348729	0	48	0.0	-71.68	390.57	-1.40	-73.08
CNC1=[NH+]C(C)=CC=C1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029348729	1	48	0.0	-71.68	390.57	-1.40	-73.08
CCCC(C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029348742	0	51	0.0	-73.51	391.42	-0.20	-73.71
C[NH+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029348750	0	48	0.0	-78.66	360.17	-0.86	-79.52
CC(CC[NH+](C)C)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029348776	0	51	0.0	-79.29	397.19	-0.34	-79.63
O=C(NC[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029348836	0	56	0.0	-68.82	416.64	1.44	-67.38
O=C(NC[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029348836	1	56	0.0	-68.82	416.64	1.44	-67.38
O=C(NC[C@H]1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029348873	0	51	0.0	-79.71	393.01	1.36	-78.35
O=C(NC[C@H]1CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029348873	1	51	0.0	-78.17	398.16	0.73	-77.44
COCCCC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029348918	0	58	0.0	-83.25	459.08	-0.01	-83.26
COCCCC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029348918	1	58	0.0	-83.19	459.08	-0.02	-83.21
C[N@@H+]1CC(C)(C)CC1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029348930	0	52	0.0	-74.21	400.12	-0.34	-74.55
C[N@H+]1CC(C)(C)CC1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029348930	1	52	0.0	-72.23	404.30	0.01	-72.22
C[NH+](C)CCCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029348936	0	54	0.0	-79.13	429.17	1.10	-78.03
O=C(CC[NH+]1CCC(O)CC1)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029348941	0	53	0.0	-82.29	416.06	-2.83	-85.12
CCC[N@@H+]1CCCCC1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029348947	0	55	0.0	-75.16	414.58	0.73	-74.43
CCC[N@H+]1CCCCC1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029348947	1	55	0.0	-72.28	421.26	1.03	-71.25
CC[NH+]1CCN(CCC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029348957	0	57	0.0	-80.06	439.91	-1.33	-81.39
CCN1CC[NH+](CCC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029348957	1	57	0.0	-79.17	440.92	-1.17	-80.34
C[NH+]1CCN(CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029348961	1	51	0.0	-77.74	400.65	-2.46	-80.20
CC(C)C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029349095	0	58	0.0	-81.69	442.97	1.74	-79.95
CC1C[N@H+](C)CC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029349098	1	50	0.0	-78.05	389.30	-1.11	-79.16
CC1C[N@@H+](C)CC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029349098	1	50	0.0	-90.61	396.57	-0.92	-91.53
CCC1CCC[N@H+](CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029349134	0	55	0.0	-76.98	415.39	1.16	-75.82
CCC1CCC[N@@H+](CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029349134	1	55	0.0	-76.05	423.28	1.26	-74.79
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029349145	0	50	0.0	-91.59	403.87	-0.36	-91.95
O=C(C[NH+]1CC2CC2C1)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029349168	0	47	0.0	-76.66	376.96	-0.07	-76.73
O=C(CC1([NH+]2CCCC2)CC1)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029349187	0	53	0.0	-75.14	407.57	0.87	-74.27
CC([NH2+]C1(CO)CCCC1)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029349205	0	56	0.0	-74.62	422.82	-3.96	-78.58
C[N@@H+]1CCCCC1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029349238	0	49	0.0	-72.63	383.25	-0.35	-72.98
C[N@H+]1CCCCC1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029349238	1	49	0.0	-77.92	374.10	-0.71	-78.63
CC(C)C[N@@H+]1CCCC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029349251	0	58	0.0	-61.16	432.52	1.83	-59.33
CC(C)C[N@H+]1CCCC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029349251	1	58	0.0	-64.58	443.22	1.70	-62.88
C[NH+](C)C1CCN(CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029349317	0	57	0.0	-76.30	436.10	-1.22	-77.52
C[N@@H+]1CCC(=CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029349391	0	47	0.0	-80.61	380.45	-0.35	-80.96
C[N@H+]1CCC(=CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029349391	1	47	0.0	-81.68	379.74	-0.46	-82.14
O=C(CNC1=CC=[NH+]C=C1)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029349397	0	45	0.0	-77.54	378.02	-2.58	-80.12
CC[NH+]1CCN(CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029349467	0	54	0.0	-75.54	419.03	-1.78	-77.32
O=C(C=C1C[NH+]2CCC1CC2)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029349470	0	51	0.0	-71.76	396.92	0.48	-71.28
C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029349522	0	52	0.0	-82.86	385.12	-0.25	-83.11
C[N@H+](CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029349539	0	53	0.0	-72.43	413.59	-2.68	-75.11
C[N@@H+](CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029349539	1	53	0.0	-73.32	413.22	-2.51	-75.83
CCC1C[NH+](CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029349547	1	49	0.0	-77.32	394.99	0.00	-77.32
O=C(NC[C@H]1CN(C(=O)C2C[NH+](C3CCOCC3)C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029349551	0	54	0.0	-82.63	425.80	-0.85	-83.48
O=C(NC[C@H]1CN(C(=O)C2([NH+]3CCCC3)CCC2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029349553	0	53	0.0	-76.65	399.71	0.21	-76.44
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029349569	0	46	0.0	-73.15	363.83	-1.04	-74.19
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029349569	1	46	0.0	-75.55	361.43	-1.45	-77.00
CC[N@@H+]1CCOCC1CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029349609	0	53	0.0	-78.42	406.41	-1.58	-80.00
O=C(NC[C@H]1CN(C(=O)C2C[NH+](C3CCCCC3)C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029349637	0	56	0.0	-80.55	434.32	1.49	-79.06
COC1C[N@@H+]2CCCC2(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029349654	0	54	0.0	-62.67	414.23	-1.62	-64.29
COC1C[N@H+]2CCCC2(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029349654	1	54	0.0	-62.67	414.23	-1.62	-64.29
NC1=NC2=CC(C(=O)N3C[C@@H](O)[C@@H](CNC(=O)C4=CC(=O)[N-]O4)C3)=CC=C2N1	REAL300029349726	0	46	0.0	-82.29	380.56	-1.16	-83.45
NC1=[NH+]C2=CC(C(=O)N3C[C@@H](O)[C@@H](CNC(=O)C4=CC(=O)[N-]O4)C3)=CC=C2N1	REAL300029349726	1	46	0.0	-82.29	380.56	-1.16	-83.45
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029349775	0	49	0.0	-79.56	390.54	-0.20	-79.76
C[NH+](C)CCC1(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029349788	0	58	0.0	-81.00	434.25	1.09	-79.91
CC1CCCC(C)[NH+]1CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029349790	0	58	0.0	-75.20	432.89	1.26	-73.94
C[NH+](C)C1CCC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029349793	0	55	0.0	-73.73	409.91	0.42	-73.31
C[NH+](C)CCC1(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029349794	0	52	0.0	-78.42	415.12	0.47	-77.95
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029349799	0	55	0.0	-67.33	410.13	0.59	-66.74
C[N@@H+]1CC=CCC1CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029349800	0	50	0.0	-81.64	392.97	0.18	-81.46
C[N@H+]1CC=CCC1CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029349800	1	50	0.0	-80.83	393.75	0.19	-80.64
CC1=CC(C=CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=C[NH+]=C1N	REAL300029349863	1	49	0.0	-82.96	405.69	-0.96	-83.92
C[NH+](C)CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029349878	0	49	0.0	-77.31	397.29	-0.78	-78.09
CCCCC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029349885	0	57	0.0	-80.29	446.90	1.70	-78.59
CCCCC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029349885	1	57	0.0	-80.20	446.90	1.69	-78.51
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029349899	0	53	0.0	-79.89	416.92	0.22	-79.67
[NH2+]=C1SC=CN1CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029349930	0	42	0.0	-72.08	368.88	-1.81	-73.89
C[C@@H](OCC[NH+](C)C)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029350024	0	52	0.0	-74.88	412.77	-0.40	-75.28
O=C(CC[NH+]1CCCCCC1)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029350093	0	55	0.0	-80.02	416.33	0.80	-79.22
C[N@@H+]1CCCC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029350099	0	49	0.0	-79.72	385.57	-0.49	-80.21
C[N@H+]1CCCC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029350099	1	49	0.0	-79.72	385.57	-0.49	-80.21
O=C(C[NH+]1CCCCCC1)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029350107	0	52	0.0	-74.86	393.39	0.21	-74.65
CN1C=C[N+](CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029350114	0	44	0.0	-74.44	373.04	1.52	-72.92
C[N@@H+]1CCCC(C(C)(C)C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029350133	0	58	0.0	-79.78	422.85	0.66	-79.12
C[N@H+]1CCCC(C(C)(C)C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029350133	1	58	0.0	-79.78	422.85	0.66	-79.12
CN(C)CC1=CC=C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029350139	0	49	0.0	-86.59	403.24	-0.19	-86.78
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029350139	1	49	0.0	-86.59	403.24	-0.19	-86.78
O=C(CN1CCC(O)CC1)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029350166	0	50	0.0	-81.08	395.47	-3.33	-84.41
O=C(C[NH+]1CCC(O)CC1)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029350166	1	50	0.0	-81.08	395.47	-3.33	-84.41
C[N@H+](CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029350172	0	46	0.0	-73.98	371.03	-0.54	-74.52
CC(C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)N1CCN(C)CC1	REAL300029350174	0	54	0.0	-76.03	411.11	-2.30	-78.33
CC(C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300029350174	1	54	0.0	-76.03	411.11	-2.30	-78.33
O=C(CC[N@@H+]1CCC(F)C1)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029350178	0	49	0.0	-83.30	396.51	-0.03	-83.33
COC1C[N@H+](C)C(C)(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029350194	0	53	0.0	-74.07	403.36	-2.20	-76.27
CC(CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029350217	0	51	0.0	-79.14	399.49	0.17	-78.97
O=C(NC[C@H]1CN(C(=O)C2CC[N@@H+]3CCOCC23)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029350239	0	51	0.0	-82.12	397.98	-1.81	-83.93
O=C(NC[C@H]1CN(C(=O)C2CC[N@H+]3CCOCC23)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029350239	1	51	0.0	-82.12	397.98	-1.81	-83.93
CN1CCOCC1CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029350268	0	50	0.0	-71.94	385.89	-2.22	-74.16
C[N@@H+]1CCOCC1CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029350268	1	50	0.0	-71.23	384.58	-2.21	-73.44
C[N@H+]1CCOCC1CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029350268	1	50	0.0	-71.23	384.58	-2.21	-73.44
CC1=CC(N)=NC=C1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029350350	0	45	0.0	-80.95	370.26	-2.76	-83.71
CC1=CC(N)=[NH+]C=C1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029350350	1	45	0.0	-80.95	370.26	-2.76	-83.71
CC1(O)CC[N@H+](CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029350411	0	50	0.0	-74.28	398.63	-3.52	-77.80
C[NH+](C)CCN1N=CC=C1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029350419	0	52	0.0	-70.44	415.73	-0.77	-71.21
C[NH+]1CC(CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029350455	0	46	0.0	-78.07	373.60	-1.01	-79.08
O=C(NC[C@H]1CN(C(=O)C2CC[N@@H+]2C2CCCC2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029350461	0	53	0.0	-74.61	406.93	0.47	-74.14
C[N@H+](CCO)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029350516	0	49	0.0	-77.73	392.74	-3.86	-81.59
C[N@@H+](CCO)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029350516	1	49	0.0	-77.73	392.74	-3.86	-81.59
C[N@@H+]1CCCCC1CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029350542	0	52	0.0	-80.25	401.58	0.35	-79.90
C[N@H+]1CCCCC1CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029350542	1	52	0.0	-80.25	401.58	0.35	-79.90
CC1=C2C=C(C(=O)N3C[C@@H](O)[C@@H](CNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=N1	REAL300029350574	0	47	0.0	-80.16	398.89	2.10	-78.06
CC1=C2C=C(C(=O)N3C[C@@H](O)[C@@H](CNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029350574	1	47	0.0	-80.16	398.89	2.10	-78.06
CC1CCN1CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029350581	0	46	0.0	-75.47	372.92	-0.89	-76.36
CC1CC[N@@H+]1CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029350581	1	46	0.0	-74.32	367.73	-1.03	-75.35
CC1CC[N@H+]1CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029350581	1	46	0.0	-74.32	367.73	-1.03	-75.35
C[NH+](C)CC=CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029350601	0	46	0.0	-83.27	376.49	-0.72	-83.99
CC1(C)CN(CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029350616	0	49	0.0	-76.93	391.93	-0.30	-77.23
CC1(C)C[NH+](CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029350616	1	49	0.0	-76.93	391.93	-0.30	-77.23
O=C(CCCC[NH+]1CCCCC1)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029350630	0	58	0.0	-79.88	447.97	2.10	-77.78
CC1=C(C)NC(CCC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029350644	0	50	0.0	-73.05	412.59	-0.56	-73.61
CC1=C(C)[NH+]=C(CCC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029350644	1	50	0.0	-73.05	412.59	-0.56	-73.61
C[NH+]1CCC(C2(C(=O)N3C[C@@H](O)[C@@H](CNC(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029350657	0	56	0.0	-80.65	426.09	1.28	-79.37
CC1=C2C=C(C(=O)N3C[C@@H](O)[C@@H](CNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=N1	REAL300029350667	0	47	0.0	-80.16	398.89	2.10	-78.06
CC1=C2C=C(C(=O)N3C[C@@H](O)[C@@H](CNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029350667	1	47	0.0	-80.16	398.89	2.10	-78.06
C[NH+](C)CCSCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029350679	0	49	0.0	-84.71	408.32	0.07	-84.64
O=C(C[N@H+]1CCCC1CO)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029350708	0	50	0.0	-75.17	396.84	-3.41	-78.58
CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029350711	0	48	0.0	-74.70	373.15	-0.84	-75.54
C[N@H+](CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029350722	0	50	0.0	-82.32	401.62	0.38	-81.94
O=C(CN1CCC1)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029350724	0	43	0.0	-77.23	352.10	-1.51	-78.74
O=C(C[NH+]1CCC1)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029350724	1	43	0.0	-77.23	352.10	-1.51	-78.74
CC[NH+](CC)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029350784	0	51	0.0	-77.59	400.25	0.09	-77.50
C[NH+](C)CC1=CNC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029350863	0	50	0.0	-69.44	403.54	-0.57	-70.01
CC(C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300029350885	0	53	0.0	-78.86	411.23	-3.07	-81.93
O=C(NC[C@H]1CN(C(=O)C2CC3COCC[N@@H+]3C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029350893	0	51	0.0	-80.02	396.57	-1.81	-81.83
O=C(NC[C@H]1CN(C(=O)C2CC3COCC[N@H+]3C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029350893	1	51	0.0	-75.83	396.97	-1.73	-77.56
CC(C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029350912	1	46	0.0	-74.74	369.46	-1.11	-75.85
CCC(CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029350923	0	54	0.0	-85.51	416.26	0.73	-84.78
NC1=CC=C(C=CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300029350931	0	46	0.0	-83.84	387.85	-1.71	-85.55
C[NH+](C)CC(C)(C)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029350932	0	51	0.0	-70.39	378.66	-0.72	-71.11
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029351006	0	49	0.0	-76.45	375.23	-0.67	-77.12
C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029351006	1	49	0.0	-72.37	381.95	-0.36	-72.73
CC1CN2CC[N@@H+]1CC2C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029351023	0	52	0.0	-85.03	391.62	-3.32	-88.35
CC1CN2CC[N@H+]1CC2C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029351023	1	52	0.0	-82.23	391.49	-3.29	-85.52
C[NH+](C)CC(O)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029351053	0	49	0.0	-82.66	394.92	-2.78	-85.44
C[NH+]1C2CCC1CC(C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029351056	0	53	0.0	-76.66	376.30	-0.01	-76.67
C=CCC(C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029351105	0	49	0.0	-71.98	383.30	-0.50	-72.48
O=C(NC[C@H]1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029351117	0	53	0.0	-76.55	405.51	0.58	-75.97
O=C(NC[C@H]1CN(C(=O)C2CC3CCCC[N@H+]3C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029351117	1	53	0.0	-80.33	405.91	0.62	-79.71
C[NH+]1CCC(C)(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029351131	0	52	0.0	-74.12	389.23	-0.40	-74.52
C[NH+]1CCC(O)(CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029351136	0	53	0.0	-79.51	412.00	-1.62	-81.13
COCC[N@@H+]1CCCC1CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029351152	0	56	0.0	-79.09	430.91	-0.61	-79.70
COCC[N@H+]1CCCC1CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029351152	1	56	0.0	-75.04	440.65	-0.40	-75.44
C[NH+]1C2CCC1CC(CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029351166	0	56	0.0	-80.97	407.09	0.56	-80.41
C[NH+](C)CCN1N=CC=C1C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029351206	0	52	0.0	-70.37	418.21	-0.56	-70.93
C[NH+]1CCC(C2(C(=O)NC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3O)CC2)CC1	REAL300029351253	0	56	0.0	-68.20	427.91	1.70	-66.50
CC1=C2C=C(C(=O)NC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3O)C=CN2C=[NH+]1	REAL300029351265	1	47	0.0	-77.56	391.22	2.00	-75.56
C[NH+](C)CCSCC(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029351276	0	49	0.0	-77.51	406.58	-0.10	-77.61
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CC2COCC[N@@H+]2C1	REAL300029351288	0	51	0.0	-75.77	397.65	-1.77	-77.54
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1CC2COCC[N@H+]2C1	REAL300029351288	1	51	0.0	-75.43	397.23	-1.70	-77.13
C[N@@H+]1CCCC1C(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029351400	0	56	0.0	-74.96	419.89	3.06	-71.90
C[N@H+]1CCCC1C(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029351400	1	56	0.0	-65.61	421.97	3.24	-62.37
CCC(C(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029351509	0	58	0.0	-75.36	422.77	3.27	-72.09
CCC[N@H+](C)CC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029351514	0	58	0.0	-78.99	433.99	3.65	-75.34
CCC[N@@H+](C)CC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029351514	1	58	0.0	-78.94	433.99	3.65	-75.29
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029351522	0	56	0.0	-76.16	414.16	2.82	-73.34
C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029351522	1	56	0.0	-75.39	419.94	3.32	-72.07
CC[NH+](CC)CC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029351527	0	58	0.0	-77.15	426.42	3.31	-73.84
CC[N@H+](C)CCC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029351586	0	58	0.0	-78.16	434.19	3.44	-74.72
CC[N@@H+](C)CCC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029351586	1	58	0.0	-79.06	434.92	3.42	-75.64
CC[C@@H](C(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029351589	0	58	0.0	-75.38	424.24	3.19	-72.19
C[NH+](C)CC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029351607	0	52	0.0	-79.14	394.83	2.23	-76.91
CC(C(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC1	REAL300029351611	1	56	0.0	-76.94	424.89	3.07	-73.87
C[N@H+](CC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029351618	0	56	0.0	-75.91	423.94	3.63	-72.28
C[N@@H+](CC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029351618	1	56	0.0	-76.48	423.89	3.53	-72.95
C[NH+]1CC(CC(=O)N[C@@H]2CCO[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029351624	0	56	0.0	-77.25	425.53	3.05	-74.20
C[C@@H](C(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029351632	0	55	0.0	-76.75	411.63	2.55	-74.20
C[C@@H](C(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029351654	0	55	0.0	-76.75	411.63	2.55	-74.20
C[C@H](C(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029351684	0	55	0.0	-63.15	412.32	3.13	-60.02
CC1C[NH+](CC(=O)N[C@@H]2CCO[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029351692	1	56	0.0	-68.00	425.74	3.35	-64.65
C[N@H+](CCO)CC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029351703	1	56	0.0	-79.16	422.84	-0.33	-79.49
C[N@@H+](CCO)CC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029351703	1	56	0.0	-78.82	422.51	-0.30	-79.12
CC[N@H+](C)CC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029351710	0	55	0.0	-78.22	412.02	2.90	-75.32
CC[N@@H+](C)CC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029351710	1	55	0.0	-78.50	412.49	2.90	-75.60
C[NH+](C)CC=CC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029351729	0	56	0.0	-80.86	430.60	3.44	-77.42
CC[N@@H+]1CCC1C(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029351735	1	56	0.0	-77.27	425.85	3.13	-74.14
CC[N@H+]1CCC1C(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029351735	1	56	0.0	-77.03	426.08	3.28	-73.75
C[NH+](C)C(C)(C)C(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029351749	0	58	0.0	-82.62	422.40	3.06	-79.56
C[NH+](C)C1(C(=O)N[C@@H]2CCO[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029351774	0	56	0.0	-79.48	422.60	3.62	-75.86
CC(C[NH+](C)C)C(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029351797	0	58	0.0	-78.46	433.24	3.50	-74.96
CC1CC[N@@H+]1CC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029351809	1	56	0.0	-76.86	420.46	2.95	-73.91
CC1CC[N@H+]1CC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029351809	1	56	0.0	-62.98	421.12	3.62	-59.36
NC(=[NH2+])SCC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029351832	0	50	0.0	-79.51	403.01	-0.87	-80.38
C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029351864	0	56	0.0	-74.76	420.01	3.18	-71.58
C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029351864	1	56	0.0	-77.11	414.43	2.78	-74.33
C[N@@H+]1CCCC1C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029351978	0	56	0.0	-64.60	416.05	2.91	-61.69
C[N@H+]1CCCC1C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029351978	1	56	0.0	-63.72	415.97	2.89	-60.83
CCC(C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029352057	0	58	0.0	-64.31	427.43	3.36	-60.95
CCC[N@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029352061	0	58	0.0	-65.90	436.85	3.77	-62.13
CCC[N@@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029352061	1	58	0.0	-65.80	436.85	3.78	-62.02
CC[N@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029352079	0	58	0.0	-68.33	437.71	3.62	-64.71
CC[N@@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029352079	1	58	0.0	-68.42	437.72	3.63	-64.79
CC[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029352122	0	58	0.0	-62.50	421.97	3.17	-59.33
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029352169	0	56	0.0	-66.28	415.36	2.92	-63.36
C[N@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029352169	1	56	0.0	-65.49	418.86	3.14	-62.35
C[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029352225	0	55	0.0	-65.29	413.88	2.77	-62.52
C[N@H+](CCO)CC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029352235	1	56	0.0	-66.36	425.70	-0.20	-66.56
C[N@@H+](CCO)CC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029352235	1	56	0.0	-66.20	425.49	-0.20	-66.40
CC1C[NH+](CC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029352254	1	56	0.0	-59.41	429.27	3.96	-55.45
CC[N@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029352272	0	55	0.0	-65.59	415.35	3.04	-62.55
CC[N@@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029352272	1	55	0.0	-65.53	415.35	3.04	-62.49
CC(C[NH+](C)C)C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029352305	0	58	0.0	-60.44	434.13	3.95	-56.49
C[NH+](C)C1(C(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029352308	0	56	0.0	-65.92	420.60	3.15	-62.77
C[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029352312	0	55	0.0	-65.43	413.19	2.69	-62.74
CC[N@@H+]1CCC1C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029352315	0	56	0.0	-56.93	419.78	3.51	-53.42
CC[N@H+]1CCC1C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029352315	1	56	0.0	-64.95	428.80	3.34	-61.61
C[NH+](C)C(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029352324	0	58	0.0	-69.67	418.57	3.06	-66.61
C[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029352388	0	56	0.0	-66.54	422.75	3.25	-63.29
C[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029352388	1	56	0.0	-66.76	415.95	2.91	-63.85
C[N@H+](CC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029352427	0	56	0.0	-64.08	426.43	3.78	-60.30
C[N@@H+](CC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029352427	1	56	0.0	-64.64	426.60	3.78	-60.86
C[NH+]1CC(CC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029352456	0	56	0.0	-70.81	428.65	3.24	-67.57
C[NH+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029352459	0	52	0.0	-66.52	397.62	2.35	-64.17
C[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029352462	0	55	0.0	-65.29	413.88	2.77	-62.52
CC1CC[N@@H+]1CC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029352471	0	56	0.0	-58.39	429.51	4.00	-54.39
CC1CC[N@H+]1CC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029352471	1	56	0.0	-65.55	422.74	3.18	-62.37
C[NH+](C)CC=CC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029352472	0	56	0.0	-71.41	432.29	3.59	-67.82
CC[NH+](CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029352478	0	58	0.0	-64.11	433.60	3.72	-60.39
O=C(C[NH+]1CCC1)N1CCC([C@@H]2OCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029352479	1	53	0.0	-66.40	408.12	2.83	-63.57
CC(C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC1	REAL300029352503	0	56	0.0	-64.09	425.61	3.24	-60.85
C[N@@H+]1CCCC1C(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029352707	0	53	0.0	-61.32	407.86	2.04	-59.28
C[N@H+]1CCCC1C(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029352707	1	53	0.0	-70.41	408.29	2.09	-68.32
C[N@@H+]1CCOC(C(=O)NCC2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)O2)C1	REAL300029352731	1	54	0.0	-58.82	418.36	1.71	-57.11
C[N@H+]1CCOC(C(=O)NCC2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)O2)C1	REAL300029352731	1	54	0.0	-71.51	419.22	1.84	-69.67
CC1=[NH+]C=CN1CC(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029352871	1	51	0.0	-59.99	417.27	3.10	-56.89
C[C@@H]1[C@H](C(=O)NCC2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)O2)CC[N@@H+]1C	REAL300029352891	0	56	0.0	-74.03	425.00	2.51	-71.52
C[C@@H]1[C@H](C(=O)NCC2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)O2)CC[N@H+]1C	REAL300029352891	1	56	0.0	-58.70	430.69	2.73	-55.97
C[NH+](C)C1(C(=O)NCC2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)O2)CCC1	REAL300029352912	0	56	0.0	-66.29	421.77	3.16	-63.13
CC(C)[C@@H](C(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1)[NH+](C)C	REAL300029352914	0	58	0.0	-57.54	437.70	3.58	-53.96
C[N@H+](CC(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1)C1CCC1	REAL300029352925	0	56	0.0	-58.86	434.06	3.47	-55.39
C[N@@H+](CC(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1)C1CCC1	REAL300029352925	1	56	0.0	-58.18	433.96	3.46	-54.72
C[NH+]1CCC(C(=O)NCC2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)O2)CC1	REAL300029352952	0	56	0.0	-72.86	432.87	3.21	-69.65
C[N@@H+]1CCCCC1C(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029352959	0	56	0.0	-60.09	420.47	2.90	-57.19
C[N@H+]1CCCCC1C(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029352959	1	56	0.0	-68.70	420.97	2.96	-65.74
CC1=C[NH+]=CN1CC(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029352977	1	51	0.0	-60.48	416.55	3.79	-56.69
C[N@@H+]1CCC(CC(=O)NCC2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)O2)C1	REAL300029352987	0	56	0.0	-73.31	434.74	3.13	-70.18
C[N@H+]1CCC(CC(=O)NCC2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)O2)C1	REAL300029352987	1	56	0.0	-62.36	434.59	3.02	-59.34
CCC(C(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1)[NH+](C)C	REAL300029352990	0	55	0.0	-60.48	420.45	2.63	-57.85
C[NH+](C)CCCCC(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353005	0	58	0.0	-66.74	453.20	3.62	-63.12
CC(C)C(C(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1)[NH+](C)C	REAL300029353010	0	58	0.0	-60.59	438.13	3.66	-56.93
CCC[N@H+](C)CCC(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353011	0	58	0.0	-62.40	449.44	3.44	-58.96
CCC[N@@H+](C)CCC(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353011	1	58	0.0	-59.63	449.74	3.37	-56.26
CCC[N@H+](C)CC(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353012	0	55	0.0	-60.05	427.07	2.89	-57.16
CCC[N@@H+](C)CC(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353012	1	55	0.0	-59.91	427.07	2.89	-57.02
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353027	0	53	0.0	-68.27	408.29	2.10	-66.17
C[N@H+]1CCC[C@@H]1C(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353027	1	53	0.0	-67.29	414.63	2.60	-64.69
CC[NH+](CC)CC(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353039	0	55	0.0	-58.99	423.94	2.85	-56.14
C[NH+](C)CC1(C(=O)NCC2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)O2)CC1	REAL300029353094	0	56	0.0	-75.89	433.85	3.28	-72.61
C[NH+]1CCC(C(=O)NCC2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)O2)CC1	REAL300029353120	0	56	0.0	-72.86	432.87	3.21	-69.65
CC(C)[C@H](C(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1)[NH+](C)C	REAL300029353135	0	58	0.0	-67.52	437.56	3.67	-63.85
CC[N@H+](C)CCC(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353170	0	55	0.0	-59.19	428.25	2.63	-56.56
CC[N@@H+](C)CCC(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353170	1	55	0.0	-59.22	428.25	2.63	-56.59
CC1CCC[N@@H+]1CC(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353181	0	56	0.0	-67.17	427.01	2.92	-64.25
CC1CCC[N@H+]1CC(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353181	1	56	0.0	-57.39	427.26	2.75	-54.64
CC1CC[N@H+](CC(=O)NCC2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)O2)C1	REAL300029353182	0	56	0.0	-58.62	434.07	3.13	-55.49
CC1CC[N@@H+](CC(=O)NCC2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)O2)C1	REAL300029353182	1	56	0.0	-69.28	433.65	3.22	-66.06
CC[C@@H](C(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1)[NH+](C)C	REAL300029353185	0	55	0.0	-66.08	418.68	2.59	-63.49
C[NH+](C)CC(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353224	0	49	0.0	-60.91	387.84	1.48	-59.43
CN1C=C[N+](CC(=O)NCC2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)O2)=C1	REAL300029353225	0	51	0.0	-66.92	419.26	5.12	-61.80
C[N@@H+]1CCCC(C(=O)NCC2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)O2)C1	REAL300029353228	0	56	0.0	-69.42	433.49	3.16	-66.26
C[N@H+]1CCCC(C(=O)NCC2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)O2)C1	REAL300029353228	1	56	0.0	-66.03	426.62	3.37	-62.66
CC(C(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1)[NH+]1CCC1	REAL300029353236	1	53	0.0	-67.74	418.32	2.47	-65.27
C[NH+](C)CC(C)(C)C(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353239	0	58	0.0	-63.21	435.36	3.19	-60.02
C[N@H+](CC(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1)C1CC1	REAL300029353246	0	53	0.0	-58.36	417.24	2.88	-55.48
C[N@@H+](CC(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1)C1CC1	REAL300029353246	1	53	0.0	-57.71	417.11	2.88	-54.83
C[NH+]1CC(CC(=O)NCC2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)O2)C1	REAL300029353257	0	53	0.0	-62.70	419.28	2.31	-60.39
C[C@@H](C(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1)[NH+](C)C	REAL300029353270	0	52	0.0	-69.54	406.41	1.93	-67.61
C[N@H+](CCO)CCC(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353310	0	56	0.0	-59.75	438.60	-0.58	-60.33
C[N@@H+](CCO)CCC(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353310	1	56	0.0	-61.76	438.27	-0.55	-62.31
C[C@@H](C(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1)[NH+](C)C	REAL300029353311	0	52	0.0	-69.54	406.41	1.93	-67.61
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353314	0	56	0.0	-67.70	420.99	2.95	-64.75
C[N@H+]1CCCC[C@@H]1C(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353314	1	56	0.0	-55.16	430.14	3.01	-52.15
C[N@@H+]1CCC(=CC(=O)NCC2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)O2)C1	REAL300029353351	0	54	0.0	-68.22	425.76	3.04	-65.18
C[N@H+]1CCC(=CC(=O)NCC2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)O2)C1	REAL300029353351	1	54	0.0	-73.93	427.17	3.07	-70.86
C[NH+](C)CCOCC(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353361	0	56	0.0	-66.15	443.70	2.56	-63.59
C[C@H](C(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1)[NH+](C)C	REAL300029353372	0	52	0.0	-60.40	405.86	1.88	-58.52
CC1C[NH+](CC(=O)NCC2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)O2)C1	REAL300029353389	1	53	0.0	-68.81	418.11	2.76	-66.05
C[N@H+](CCO)CC(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353402	1	53	0.0	-59.94	415.92	-1.08	-61.02
C[N@@H+](CCO)CC(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353402	1	53	0.0	-60.31	415.70	-1.10	-61.41
CC(CC(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1)C[NH+](C)C	REAL300029353414	0	58	0.0	-64.85	445.13	3.50	-61.35
CC[N@H+](C)CC(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353416	0	52	0.0	-69.99	406.04	2.21	-67.78
CC[N@@H+](C)CC(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353416	1	52	0.0	-59.64	405.56	2.15	-57.49
CC[N@H+](CC(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1)C1CC1	REAL300029353426	0	56	0.0	-53.96	436.75	3.44	-50.52
CC[N@@H+](CC(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1)C1CC1	REAL300029353426	1	56	0.0	-56.91	432.64	3.25	-53.66
CC[NH+](CC)CCC(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353432	0	58	0.0	-61.04	445.79	3.40	-57.64
C[NH+](C)CC=CC(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353448	0	53	0.0	-65.62	425.06	2.73	-62.89
COCC[N@H+](C)CC(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353457	1	56	0.0	-60.59	437.95	1.31	-59.28
COCC[N@@H+](C)CC(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353457	1	56	0.0	-59.63	438.17	1.32	-58.31
CC(CCC(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1)[NH+](C)C	REAL300029353467	0	58	0.0	-64.55	441.18	3.22	-61.33
CC[N@@H+]1CCC1C(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353472	1	53	0.0	-66.93	411.90	2.46	-64.47
CC[N@H+]1CCC1C(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353472	1	53	0.0	-67.38	419.64	2.64	-64.74
C=CCC(C(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1)[NH+](C)C	REAL300029353497	0	56	0.0	-56.32	430.88	2.93	-53.39
O=C(C[NH+]1CC2CC2C1)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353505	0	54	0.0	-59.34	423.17	3.37	-55.97
CCCC(C(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1)[NH+](C)C	REAL300029353514	0	58	0.0	-61.42	441.95	3.41	-58.01
C[NH+](C)C(C)(C)C(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353516	0	55	0.0	-58.16	415.26	2.64	-55.52
C[N@@H+]1CCCCC1C(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353527	0	56	0.0	-60.09	420.47	2.90	-57.19
C[N@H+]1CCCCC1C(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353527	1	56	0.0	-68.70	420.97	2.96	-65.74
C[NH+](C)C1(C(=O)NCC2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)O2)CC1	REAL300029353565	0	53	0.0	-71.80	411.45	2.76	-69.04
O=C(CC[NH+]1CCCC1)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353566	0	56	0.0	-58.71	436.49	3.15	-55.56
C[N@@H+]1CC2CC1(C(=O)NCC1CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)O1)C2	REAL300029353577	0	54	0.0	-58.56	419.92	2.70	-55.86
C[N@H+]1CC2CC1(C(=O)NCC1CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)O1)C2	REAL300029353577	1	54	0.0	-58.22	418.75	2.72	-55.50
CC(C[NH+](C)C)C(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353613	0	55	0.0	-69.78	426.43	2.87	-66.91
CC(C(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1)[NH+]1CC(C)C1	REAL300029353636	1	56	0.0	-67.96	437.51	3.25	-64.71
CC1CC[N@@H+]1CC(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353637	1	53	0.0	-55.60	413.90	2.23	-53.37
CC1CC[N@H+]1CC(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353637	1	53	0.0	-69.39	419.63	2.61	-66.78
C[NH+](C)CC(O)CC(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353639	0	56	0.0	-67.06	440.45	0.54	-66.52
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)O2)C1	REAL300029353669	0	56	0.0	-60.71	437.36	3.21	-57.50
CC(CC[NH+](C)C)C(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353670	0	58	0.0	-70.57	448.07	3.48	-67.09
NC(=[NH2+])SCC(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353691	0	47	0.0	-61.71	396.37	-1.64	-63.35
CCC1C[NH+](CC(=O)NCC2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)O2)C1	REAL300029353753	1	56	0.0	-60.63	440.16	3.33	-57.30
C[N@@H+]1CCC[C@H]1C(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353757	0	53	0.0	-67.23	413.99	2.51	-64.72
C[N@H+]1CCC[C@H]1C(=O)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353757	1	53	0.0	-56.18	408.11	1.97	-54.21
O=C(C[NH+]1CCCCC1)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353764	0	56	0.0	-55.49	429.87	3.28	-52.21
CC1C(C(=O)NCC2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)O2)CC[N@@H+]1C	REAL300029353768	0	56	0.0	-67.92	430.10	2.77	-65.15
CC1C(C(=O)NCC2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)O2)CC[N@H+]1C	REAL300029353768	1	56	0.0	-69.49	425.66	2.80	-66.69
C[N@@H+]1CCCC1C(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029353948	0	53	0.0	-58.85	414.56	2.46	-56.39
C[N@H+]1CCCC1C(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029353948	1	53	0.0	-69.91	409.29	2.13	-67.78
C[N@@H+]1CCOC(C(=O)N2CC3(C2)CCCC(CNC(=O)C2=CC(=O)[N-]O2)O3)C1	REAL300029353974	1	54	0.0	-79.52	415.76	1.81	-77.71
C[N@H+]1CCOC(C(=O)N2CC3(C2)CCCC(CNC(=O)C2=CC(=O)[N-]O2)O3)C1	REAL300029353974	1	54	0.0	-80.56	425.97	2.02	-78.54
C[N@@H+]1CCC(CC(=O)N2CC3(C2)CCCC(CNC(=O)C2=CC(=O)[N-]O2)O3)C1	REAL300029354125	0	56	0.0	-72.03	437.11	3.20	-68.83
C[N@H+]1CCC(CC(=O)N2CC3(C2)CCCC(CNC(=O)C2=CC(=O)[N-]O2)O3)C1	REAL300029354125	1	56	0.0	-63.50	436.53	3.14	-60.36
CCC(C(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2)[NH+](C)C	REAL300029354128	0	55	0.0	-65.09	420.76	2.70	-62.39
C[NH+](C)CCCCC(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029354139	0	58	0.0	-68.56	455.21	3.71	-64.85
CC(C)C(C(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2)[NH+](C)C	REAL300029354145	0	58	0.0	-68.82	435.24	3.28	-65.54
CCC[N@H+](C)CCC(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029354146	0	58	0.0	-72.26	451.90	3.61	-68.65
CCC[N@@H+](C)CCC(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029354146	1	58	0.0	-72.03	451.90	3.60	-68.43
CCC[N@H+](C)CC(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029354147	0	55	0.0	-63.99	429.38	2.94	-61.05
CCC[N@@H+](C)CC(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029354147	1	55	0.0	-62.34	429.70	2.90	-59.44
C[NH+](C)CC1(C(=O)N2CC3(C2)CCCC(CNC(=O)C2=CC(=O)[N-]O2)O3)CC1	REAL300029354186	0	56	0.0	-64.84	441.54	3.34	-61.50
CC[N@H+](C)CCC(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029354193	0	55	0.0	-71.16	430.58	2.94	-68.22
CC[N@@H+](C)CCC(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029354193	1	55	0.0	-71.35	430.41	2.86	-68.49
C[NH+]1CCC(C(=O)N2CC3(C2)CCCC(CNC(=O)C2=CC(=O)[N-]O2)O3)CC1	REAL300029354219	0	56	0.0	-73.52	432.72	2.93	-70.59
CC(C)[C@H](C(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2)[NH+](C)C	REAL300029354234	0	58	0.0	-67.23	434.49	3.23	-64.00
C[NH+](C)C1(C(=O)N2CC3(C2)CCCC(CNC(=O)C2=CC(=O)[N-]O2)O3)CCC1	REAL300029354262	0	56	0.0	-66.96	420.50	2.87	-64.09
CC1CCC[N@@H+]1CC(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029354287	0	56	0.0	-58.56	428.50	2.94	-55.62
CC1CCC[N@H+]1CC(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029354287	1	56	0.0	-65.42	429.21	3.07	-62.35
CC(C)[C@@H](C(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2)[NH+](C)C	REAL300029354301	0	58	0.0	-69.65	434.20	3.23	-66.42
CC1CC[N@H+](CC(=O)N2CC3(C2)CCCC(CNC(=O)C2=CC(=O)[N-]O2)O3)C1	REAL300029354309	0	56	0.0	-60.12	436.10	3.22	-56.90
CC1CC[N@@H+](CC(=O)N2CC3(C2)CCCC(CNC(=O)C2=CC(=O)[N-]O2)O3)C1	REAL300029354309	1	56	0.0	-62.00	435.17	3.25	-58.75
CC[C@@H](C(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2)[NH+](C)C	REAL300029354312	0	55	0.0	-68.59	419.94	2.68	-65.91
CC1=[NH+]C=CN1CC(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029354354	1	51	0.0	-62.27	419.55	3.14	-59.13
CC1=C[NH+]=CN1CC(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029354373	1	51	0.0	-59.87	419.91	3.87	-56.00
C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCC(CNC(=O)C2=CC(=O)[N-]O2)O3)CC[N@@H+]1C	REAL300029354374	0	56	0.0	-77.48	424.82	2.60	-74.88
C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCC(CNC(=O)C2=CC(=O)[N-]O2)O3)CC[N@H+]1C	REAL300029354374	1	56	0.0	-72.27	428.43	3.03	-69.24
C[N@H+](CC(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2)C1CCC1	REAL300029354407	0	56	0.0	-66.51	436.41	3.62	-62.89
C[N@@H+](CC(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2)C1CCC1	REAL300029354407	1	56	0.0	-67.20	436.55	3.63	-63.57
C[NH+]1CCC(C(=O)N2CC3(C2)CCCC(CNC(=O)C2=CC(=O)[N-]O2)O3)CC1	REAL300029354414	0	56	0.0	-73.52	432.72	2.93	-70.59
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029354427	0	53	0.0	-66.82	408.96	2.07	-64.75
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029354427	1	53	0.0	-65.91	411.59	2.54	-63.37
C[N@@H+]1CCCCC1C(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029354471	0	56	0.0	-67.24	431.56	3.22	-64.02
C[N@H+]1CCCCC1C(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029354471	1	56	0.0	-65.49	431.75	3.28	-62.21
CC1C(C(=O)N2CC3(C2)CCCC(CNC(=O)C2=CC(=O)[N-]O2)O3)CC[N@@H+]1C	REAL300029354500	0	56	0.0	-67.80	431.14	2.86	-64.94
CC1C(C(=O)N2CC3(C2)CCCC(CNC(=O)C2=CC(=O)[N-]O2)O3)CC[N@H+]1C	REAL300029354500	1	56	0.0	-74.23	427.81	3.06	-71.17
C[C@@H](C(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2)[NH+](C)C	REAL300029354542	0	52	0.0	-57.97	407.24	1.95	-56.02
O=C(CC[NH+]1CCCC1)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029354560	0	56	0.0	-63.85	438.18	3.31	-60.54
C[N@H+](CCO)CC(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029354565	1	53	0.0	-64.93	418.55	-1.08	-66.01
C[N@@H+](CCO)CC(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029354565	1	53	0.0	-64.71	418.04	-1.05	-65.76
CC1C[NH+](CC(=O)N2CC3(C2)CCCC(CNC(=O)C2=CC(=O)[N-]O2)O3)C1	REAL300029354616	1	53	0.0	-62.41	421.14	2.65	-59.76
CC[N@H+](C)CC(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029354651	0	52	0.0	-63.56	407.89	2.19	-61.37
CC[N@@H+](C)CC(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029354651	1	52	0.0	-68.72	408.04	2.30	-66.42
COCC[N@H+](C)CC(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029354704	1	56	0.0	-65.90	438.00	1.52	-64.38
COCC[N@@H+](C)CC(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029354704	1	56	0.0	-70.30	440.65	1.47	-68.83
CC(CCC(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2)[NH+](C)C	REAL300029354706	0	58	0.0	-63.43	447.13	3.31	-60.12
CC[N@H+](CC(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2)C1CC1	REAL300029354711	0	56	0.0	-59.37	438.43	3.60	-55.77
CC[N@@H+](CC(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2)C1CC1	REAL300029354711	1	56	0.0	-66.50	433.85	3.46	-63.04
C[N@@H+]1CC2CC1(C(=O)N1CC3(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O3)C2	REAL300029354724	0	54	0.0	-72.19	418.48	2.75	-69.44
C[N@H+]1CC2CC1(C(=O)N1CC3(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O3)C2	REAL300029354724	1	54	0.0	-71.63	415.02	2.73	-68.90
CC(C[NH+](C)C)C(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029354733	0	55	0.0	-71.33	428.94	2.83	-68.50
C[NH+](C)C1(C(=O)N2CC3(C2)CCCC(CNC(=O)C2=CC(=O)[N-]O2)O3)CC1	REAL300029354739	0	53	0.0	-68.78	414.39	2.54	-66.24
C[C@H](C(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2)[NH+](C)C	REAL300029354750	0	52	0.0	-64.54	407.95	1.97	-62.57
CC[N@@H+]1CCC1C(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029354753	1	53	0.0	-70.69	422.48	2.62	-68.07
CC[N@H+]1CCC1C(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029354753	1	53	0.0	-59.01	413.52	2.19	-56.82
NC1=CC=[NH+]C=C1C(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029354769	0	49	0.0	-69.64	396.19	-0.40	-70.04
CCCC(C(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2)[NH+](C)C	REAL300029354773	0	58	0.0	-68.53	441.76	3.40	-65.13
C[NH+](C)C(C)(C)C(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029354776	0	55	0.0	-65.89	411.19	2.59	-63.30
CC(CC[NH+](C)C)C(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029354785	0	58	0.0	-71.04	451.86	3.43	-67.61
O=C(C[NH+]1CC2CC2C1)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029354848	0	54	0.0	-68.73	425.78	3.52	-65.21
C[N@@H+]1CCCCC1C(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029354859	0	56	0.0	-67.24	431.56	3.22	-64.02
C[N@H+]1CCCCC1C(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029354859	1	56	0.0	-65.49	431.75	3.28	-62.21
C[N@@H+]1CCC(=CC(=O)N2CC3(C2)CCCC(CNC(=O)C2=CC(=O)[N-]O2)O3)C1	REAL300029354887	0	54	0.0	-68.14	427.49	3.13	-65.01
C[N@H+]1CCC(=CC(=O)N2CC3(C2)CCCC(CNC(=O)C2=CC(=O)[N-]O2)O3)C1	REAL300029354887	1	54	0.0	-68.55	428.20	3.06	-65.49
CCC1C[NH+](CC(=O)N2CC3(C2)CCCC(CNC(=O)C2=CC(=O)[N-]O2)O3)C1	REAL300029354911	1	56	0.0	-63.02	442.51	3.42	-59.60
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029354916	0	53	0.0	-61.74	414.49	2.46	-59.28
C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029354916	1	53	0.0	-66.04	409.69	2.20	-63.84
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3(C2)CCCC(CNC(=O)C2=CC(=O)[N-]O2)O3)C1	REAL300029354960	0	56	0.0	-71.62	439.71	3.26	-68.36
C[NH+](C)CCOCC(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029354978	0	56	0.0	-69.82	446.17	2.75	-67.07
O=C(C[NH+]1CCCCC1)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029355013	0	56	0.0	-68.17	432.05	3.51	-64.66
C[N@@H+]1CCCC(C(=O)N2CC3(C2)CCCC(CNC(=O)C2=CC(=O)[N-]O2)O3)C1	REAL300029355014	0	56	0.0	-73.08	433.08	3.07	-70.01
C[N@H+]1CCCC(C(=O)N2CC3(C2)CCCC(CNC(=O)C2=CC(=O)[N-]O2)O3)C1	REAL300029355014	1	56	0.0	-64.70	426.72	3.26	-61.44
CN1C=C[N+](CC(=O)N2CC3(C2)CCCC(CNC(=O)C2=CC(=O)[N-]O2)O3)=C1	REAL300029355015	0	51	0.0	-57.59	421.08	5.08	-52.51
C[N@H+](CC(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2)C1CC1	REAL300029355025	0	53	0.0	-66.10	419.77	3.14	-62.96
C[N@@H+](CC(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2)C1CC1	REAL300029355025	1	53	0.0	-66.69	419.73	3.05	-63.64
CC(CC(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2)C[NH+](C)C	REAL300029355033	0	58	0.0	-72.14	447.75	3.73	-68.41
C[NH+]1CC(CC(=O)N2CC3(C2)CCCC(CNC(=O)C2=CC(=O)[N-]O2)O3)C1	REAL300029355084	0	53	0.0	-61.69	421.13	2.40	-59.29
C[NH+](C)CC(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029355091	0	49	0.0	-62.29	389.85	1.57	-60.72
C[N@H+](CCO)CCC(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029355101	0	56	0.0	-70.75	440.76	-0.36	-71.11
C[N@@H+](CCO)CCC(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029355101	1	56	0.0	-71.34	440.74	-0.36	-71.70
C[C@@H](C(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2)[NH+](C)C	REAL300029355102	0	52	0.0	-57.97	407.24	1.95	-56.02
CC(C(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2)[NH+]1CC(C)C1	REAL300029355116	1	56	0.0	-68.70	436.43	3.15	-65.55
CC1CC[N@@H+]1CC(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029355117	1	53	0.0	-61.46	416.59	2.42	-59.04
CC1CC[N@H+]1CC(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029355117	1	53	0.0	-68.33	421.65	2.72	-65.61
C[NH+](C)CC=CC(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029355119	0	53	0.0	-75.85	427.29	2.87	-72.98
CC1(C)C[NH+](CC(=O)N2CC3(C2)CCCC(CNC(=O)C2=CC(=O)[N-]O2)O3)C1	REAL300029355123	1	56	0.0	-62.75	440.85	3.07	-59.68
CC[NH+](CC)CC(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029355140	0	55	0.0	-61.74	425.94	2.92	-58.82
O=C(C[NH+]1CCC1)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029355145	1	50	0.0	-69.34	400.58	2.14	-67.20
CC[NH+](CC)CCC(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029355165	0	58	0.0	-63.79	447.79	3.50	-60.29
CC(C(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2)[NH+]1CCC1	REAL300029355196	1	53	0.0	-64.60	420.46	2.56	-62.04
C[NH+](C)CC(C)(C)C(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029355200	0	58	0.0	-66.33	432.44	2.79	-63.54
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029355221	0	56	0.0	-64.05	418.27	2.69	-61.36
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029355221	1	56	0.0	-63.92	432.03	3.23	-60.69
C[NH+](C)CC(O)CC(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029355231	0	56	0.0	-75.38	443.10	0.80	-74.58
C=CCC(C(=O)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2)[NH+](C)C	REAL300029355243	0	56	0.0	-64.11	434.02	3.17	-60.94
C[N@@H+]1CCCC1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029355443	0	49	0.0	-60.39	361.59	4.28	-56.11
C[N@H+]1CCCC1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029355443	1	49	0.0	-62.35	363.81	4.32	-58.03
C[N@@H+]1CCOC(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029355467	1	50	0.0	-77.03	373.71	3.57	-73.46
C[N@H+]1CCOC(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029355467	1	50	0.0	-69.06	373.05	3.73	-65.33
CC(C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300029355638	0	58	0.0	-60.10	407.76	5.77	-54.33
CC(C)[N@@H+]1CCCCC1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029355640	0	58	0.0	-61.89	403.99	6.54	-55.35
CC(C)[N@H+]1CCCCC1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029355640	1	58	0.0	-57.80	408.97	6.75	-51.05
CC(C)[N@@H+]1CCCC1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029355661	0	55	0.0	-56.66	386.33	5.62	-51.04
CC(C)[N@H+]1CCCC1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029355661	1	55	0.0	-56.82	386.17	5.59	-51.23
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1CC3CCCC[N@@H+]3C1)C2	REAL300029355678	0	56	0.0	-61.08	405.62	6.03	-55.05
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1CC3CCCC[N@H+]3C1)C2	REAL300029355678	1	56	0.0	-69.25	405.01	6.84	-62.41
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029355700	1	53	0.0	-59.62	406.00	6.11	-53.51
CC1=[NH+]C=CN1CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029355734	1	47	0.0	-60.04	368.62	4.96	-55.08
CC(C[NH+]1CCOCC1)C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029355736	0	56	0.0	-73.59	411.86	4.90	-68.69
O=C(CCC[NH+]1CCCCC1)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029355753	0	58	0.0	-67.57	425.69	6.66	-60.91
CC(C)(C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029355772	0	58	0.0	-62.71	398.78	7.08	-55.63
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1C[NH+]3CCC1CC3)C2	REAL300029355782	0	53	0.0	-75.87	377.11	4.97	-70.90
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1CCCC3CCC[N@@H+]31)C2	REAL300029355828	0	56	0.0	-63.36	406.32	6.00	-57.36
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1CCCC3CCC[N@H+]31)C2	REAL300029355828	1	56	0.0	-57.11	402.82	6.97	-50.14
C[C@@H]1[C@H](C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029355844	0	52	0.0	-70.78	376.36	5.71	-65.07
C[C@@H]1[C@H](C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029355844	1	52	0.0	-60.80	377.94	5.47	-55.33
CC[C@@H]1[C@@H](C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029355849	0	55	0.0	-61.80	388.22	5.75	-56.05
CC[C@@H]1[C@@H](C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029355849	1	55	0.0	-61.52	397.12	5.43	-56.09
CC[N@@H+]1CCOC(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029355864	1	53	0.0	-73.82	384.12	4.17	-69.65
CC[N@H+]1CCOC(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029355864	1	53	0.0	-54.37	383.86	4.07	-50.30
CC[NH+](CC)CC(F)C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029355910	0	54	0.0	-70.36	402.14	5.18	-65.18
CC1CCC(C)[NH+]1CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029355983	0	55	0.0	-58.85	398.12	5.28	-53.57
O=C(CCC[NH+]1CCCC1)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029355989	0	55	0.0	-67.34	408.43	5.85	-61.49
C[NH+](C)CC1=CC=CC(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029355990	0	55	0.0	-69.90	414.46	6.38	-63.52
C#CC[NH+]1CCC(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029355995	0	54	0.0	-68.81	408.22	6.94	-61.87
O=C(CC[NH+]1CCCCC1)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029355996	0	55	0.0	-65.30	404.19	5.87	-59.43
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029355999	0	55	0.0	-49.81	413.48	6.58	-43.23
CC[N@@H+]1CCCCC1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029356003	0	55	0.0	-57.53	390.98	5.48	-52.05
CC[N@H+]1CCCCC1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029356003	1	55	0.0	-57.08	398.62	5.55	-51.53
C[NH+](C)C(C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029356006	1	55	0.0	-64.28	409.44	6.65	-57.63
CC(C)C[N@@H+]1CCC(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029356023	0	58	0.0	-66.82	422.15	6.24	-60.58
CC(C)C[N@H+]1CCC(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029356023	1	58	0.0	-67.09	421.29	6.35	-60.74
C[NH+](C)C1(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300029356027	0	52	0.0	-70.55	368.55	4.41	-66.14
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029356029	0	58	0.0	-49.02	410.33	6.85	-42.17
CC(C)[N@H+]1CCCC1CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029356029	1	58	0.0	-63.83	419.51	6.06	-57.77
CC(C)[C@@H](C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029356044	0	54	0.0	-58.08	382.60	5.03	-53.05
C[N@H+](CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029356093	0	52	0.0	-59.93	386.48	5.24	-54.69
C[N@@H+](CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029356093	1	52	0.0	-56.77	387.21	6.26	-50.51
CC(C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300029356157	0	58	0.0	-53.80	403.53	5.65	-48.15
CN(CCC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300029356213	0	54	0.0	-62.11	414.78	5.09	-57.02
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029356221	1	51	0.0	-62.54	386.01	5.27	-57.27
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029356221	1	51	0.0	-62.04	390.73	5.39	-56.65
C[N@@H+]1CCCC1CCC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029356227	0	55	0.0	-62.24	404.72	6.67	-55.57
C[N@H+]1CCCC1CCC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029356227	1	55	0.0	-65.27	404.14	5.71	-59.56
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C13CCC[NH+](CCC1)C3)C2	REAL300029356238	0	56	0.0	-65.90	382.48	5.91	-59.99
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1CCC3CCCC[N@@H+]31)C2	REAL300029356245	0	56	0.0	-57.80	404.31	6.18	-51.62
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1CCC3CCCC[N@H+]31)C2	REAL300029356245	1	56	0.0	-58.30	400.11	5.83	-52.47
O=C(CCCC[NH+]1CCCC1)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029356265	0	58	0.0	-69.30	431.59	6.60	-62.70
C[N@H+](CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029356267	1	55	0.0	-62.22	417.79	7.88	-54.34
C[N@@H+](CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029356267	1	55	0.0	-65.91	416.96	6.98	-58.93
C[NH+]1CCC(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029356278	0	52	0.0	-70.19	383.12	5.75	-64.44
C[NH+](C)CC1=CC(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300029356319	1	51	0.0	-79.58	396.02	4.77	-74.81
CC1=C(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300029356320	0	50	0.0	-63.47	392.01	7.21	-56.26
C[N@@H+]1CCCCC1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029356352	0	52	0.0	-64.41	369.66	4.69	-59.72
C[N@H+]1CCCCC1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029356352	1	52	0.0	-63.59	381.41	5.12	-58.47
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029356375	0	58	0.0	-57.78	425.30	6.46	-51.32
CC(C)C[N@H+]1CCCC1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029356375	1	58	0.0	-57.34	420.27	7.10	-50.24
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1=CN3C=[NH+]C=C3C=C1)C2	REAL300029356480	0	47	0.0	-74.26	375.82	7.68	-66.58
CC1=[NH+]C=CN1CCCC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029356489	1	53	0.0	-64.48	411.23	6.19	-58.29
C[NH+](C)CC1=CC=C(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300029356494	0	55	0.0	-79.24	415.12	6.65	-72.59
O=C(CC[NH+]1CCOCC1)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029356495	1	53	0.0	-68.02	395.58	3.45	-64.57
CC1=C[NH+]=CN1CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029356526	1	47	0.0	-58.01	370.90	6.63	-51.38
O=C(CN1C=[NH+]C2=C1CCCC2)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029356532	1	54	0.0	-56.23	412.71	8.36	-47.87
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C13CCC[NH+]1CCC3)C2	REAL300029356568	0	53	0.0	-59.10	376.45	4.87	-54.23
C[NH+](C)C1CCCC(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029356597	0	58	0.0	-63.11	408.18	5.82	-57.29
C[N@@H+]1CCC(CC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029356600	0	52	0.0	-65.55	387.67	5.91	-59.64
C[N@H+]1CCC(CC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029356600	1	52	0.0	-69.76	387.59	5.89	-63.87
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029356612	0	51	0.0	-65.05	389.56	3.49	-61.56
CCC(C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029356617	0	51	0.0	-59.04	369.69	4.30	-54.74
C[NH+](C)C1(CC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029356631	0	58	0.0	-68.17	404.08	5.90	-62.27
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1=CC3=C[NH+]=CN3C=C1)C2	REAL300029356675	1	47	0.0	-72.26	375.93	7.70	-64.56
C[NH+](C)CCCCC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029356733	0	54	0.0	-70.88	405.55	5.57	-65.31
CC(C)C(C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029356753	0	54	0.0	-59.63	385.55	4.91	-54.72
CCC[N@H+](C)CCC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029356755	0	54	0.0	-66.86	401.85	5.25	-61.61
CCC[N@@H+](C)CCC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029356755	1	54	0.0	-66.55	401.85	5.24	-61.31
CCC[N@H+](C)CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029356761	0	51	0.0	-62.43	379.49	4.67	-57.76
CCC[N@@H+](C)CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029356761	1	51	0.0	-58.85	380.37	5.69	-53.16
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C13CC[N@H+](C1)CCC3)C2	REAL300029356785	0	53	0.0	-84.22	372.36	4.12	-80.10
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C13CC[N@@H+](C1)CCC3)C2	REAL300029356785	1	53	0.0	-74.16	368.73	5.06	-69.10
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029356825	0	49	0.0	-53.77	356.99	4.76	-49.01
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029356825	1	49	0.0	-69.23	366.65	4.43	-64.80
CCCCCC[N@H+](C)CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029356885	0	60	0.0	-63.46	443.99	7.01	-56.45
CCCCCC[N@@H+](C)CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029356885	1	60	0.0	-59.83	444.86	8.04	-51.79
CC[NH+](CC)C(C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300029356890	0	60	0.0	-60.81	403.43	5.13	-55.68
CC[NH+](CC)CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029356899	0	51	0.0	-61.18	376.10	4.60	-56.58
CCC[N@@H+]1CCCC(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029356931	0	58	0.0	-62.67	420.66	7.10	-55.57
CCC[N@H+]1CCCC(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029356931	1	58	0.0	-55.57	413.68	6.08	-49.49
CC(C)[N@@H+]1CCOC(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029356948	1	56	0.0	-72.61	408.26	4.73	-67.88
CC(C)[N@H+]1CCOC(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029356948	1	56	0.0	-75.45	408.46	4.87	-70.58
CC1CC[NH+](CC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029356980	0	55	0.0	-62.31	402.76	5.87	-56.44
C[NH+]1CCC(OCC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029357008	0	56	0.0	-74.22	420.21	5.42	-68.80
C[NH+](C)CC1(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029357022	0	52	0.0	-49.83	384.97	5.84	-43.99
CC1=[NH+]C=C2CCC(C(=O)N3CCC4(CCCN4C(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300029357023	1	54	0.0	-65.61	409.34	6.89	-58.72
CC(C)[NH+]1CCC(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029357098	0	58	0.0	-68.11	416.14	6.78	-61.33
C[NH+]1CCC(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029357119	0	52	0.0	-70.19	383.12	5.75	-64.44
CC(C)[C@H](C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029357137	0	54	0.0	-58.87	384.80	4.87	-54.00
CCC(C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029357168	0	57	0.0	-57.04	402.00	5.42	-51.62
CC[N@H+](C)CCC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029357230	0	51	0.0	-66.31	380.35	4.51	-61.80
CC[N@@H+](C)CCC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029357230	1	51	0.0	-66.43	380.28	4.65	-61.78
CC1CCC[N@@H+]1CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029357286	0	52	0.0	-55.92	379.81	5.66	-50.26
CC1CCC[N@H+]1CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029357286	1	52	0.0	-56.99	379.83	5.67	-51.32
CC1CC[N@H+](CC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029357288	0	52	0.0	-61.18	386.25	5.23	-55.95
CC1CC[N@@H+](CC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029357288	1	52	0.0	-57.46	386.51	5.97	-51.49
CC1=[NH+]C=C2CC(C(=O)N3CCC4(CCCN4C(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300029357290	1	54	0.0	-63.73	410.06	6.94	-56.79
CC1(C)CC[N@H+](CC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029357293	0	55	0.0	-61.28	405.28	5.64	-55.64
CC1(C)CC[N@@H+](CC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029357293	1	55	0.0	-61.10	405.14	5.61	-55.49
C[N@H+](CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029357294	0	57	0.0	-61.41	410.99	6.13	-55.28
C[N@@H+](CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029357294	1	57	0.0	-57.54	411.42	6.84	-50.70
CC[C@@H](C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029357303	0	51	0.0	-64.76	370.61	4.42	-60.34
C[NH+]1CCC(O)(CC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029357482	0	56	0.0	-72.02	410.42	3.77	-68.25
C[NH+](C)CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029357494	0	45	0.0	-63.74	340.19	3.40	-60.34
O=C(C[NH+]1CCC(CO)CC1)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029357498	0	56	0.0	-63.51	413.46	2.43	-61.08
O=C(C[NH+]1CCCCCC1)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029357500	0	55	0.0	-60.56	391.19	5.44	-55.12
CN1C=C[N+](CC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029357504	0	47	0.0	-56.93	372.19	7.81	-49.12
C[N@@H+]1CCCC(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029357511	0	52	0.0	-62.96	385.98	5.71	-57.25
C[N@H+]1CCCC(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029357511	1	52	0.0	-60.63	385.51	5.77	-54.86
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1CCC[N@@H+]1C1CC1)C2	REAL300029357516	0	53	0.0	-56.25	394.86	6.51	-49.74
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1CCC[N@H+]1C1CC1)C2	REAL300029357516	1	53	0.0	-56.86	389.34	6.48	-50.38
CC(C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029357545	1	49	0.0	-60.13	369.00	4.27	-55.86
CCC(CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029357551	0	57	0.0	-67.37	415.04	5.90	-61.47
C[NH+](C)CC(C)(C)C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029357558	0	54	0.0	-67.76	380.87	4.44	-63.32
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C13CC(C1)C[N@@H+]3C1CC1)C2	REAL300029357576	0	54	0.0	-58.39	391.48	5.47	-52.92
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C13CC(C1)C[N@H+]3C1CC1)C2	REAL300029357576	1	54	0.0	-62.72	389.75	7.45	-55.27
O=C(C[NH+]1CCC(O)CC1)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029357587	1	53	0.0	-66.13	393.23	1.77	-64.36
C[N@H+](CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029357588	0	49	0.0	-59.69	369.53	4.67	-55.02
C[N@@H+](CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029357588	1	49	0.0	-60.68	369.66	4.67	-56.01
CC(C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300029357589	1	57	0.0	-65.02	415.70	3.26	-61.76
C[NH+]1CC(CC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029357608	0	49	0.0	-65.86	371.59	4.26	-61.60
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1CC[N@@H+]1C1CCCC1)C2	REAL300029357612	0	56	0.0	-61.83	404.76	5.83	-56.00
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1CC[N@H+]1C1CCCC1)C2	REAL300029357612	1	56	0.0	-64.49	410.55	6.30	-58.19
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029357620	0	55	0.0	-62.94	380.16	4.45	-58.49
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029357620	1	55	0.0	-59.89	402.81	5.99	-53.90
C[C@@H](C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029357631	0	48	0.0	-59.26	355.70	3.53	-55.73
CCC1CCC[N@H+](CC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029357673	0	58	0.0	-56.33	414.61	6.96	-49.37
CCC1CCC[N@@H+](CC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029357673	1	58	0.0	-61.77	414.21	6.47	-55.30
C[NH+](C)CC1=CC=C(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029357681	0	53	0.0	-84.04	402.26	4.83	-79.21
[NH2+]=C1SC=CN1CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029357726	0	45	0.0	-61.26	367.32	3.43	-57.83
C[N@H+](CCO)CCC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029357736	0	52	0.0	-67.44	390.64	1.44	-66.00
C[N@@H+](CCO)CCC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029357736	1	52	0.0	-66.65	390.53	1.30	-65.35
C[C@@H](C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029357737	0	48	0.0	-59.26	355.70	3.53	-55.73
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029357741	0	52	0.0	-58.56	372.55	4.50	-54.06
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029357741	1	52	0.0	-62.73	377.96	5.77	-56.96
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029357750	0	55	0.0	-73.63	389.60	2.94	-70.69
CC1CN2CC[N@H+]1CC2C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029357750	1	55	0.0	-53.53	385.70	2.86	-50.67
O=C(CC1=CC2=C[NH+]=CN2C=C1)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029357796	0	50	0.0	-68.90	394.60	7.61	-61.29
C[N@H+](CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029357821	0	53	0.0	-67.31	400.93	5.62	-61.69
C[N@@H+](CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029357821	1	53	0.0	-68.36	399.60	5.49	-62.87
O=C(C[NH+]1CCC1)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029357822	1	46	0.0	-63.81	350.32	3.85	-59.96
C[NH+](C)CC1=CC(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)=CC=N1	REAL300029357852	1	54	0.0	-69.27	410.42	4.56	-64.71
C[N@@H+]1CCC(=CC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029357854	0	50	0.0	-72.61	378.22	4.90	-67.71
C[N@H+]1CCC(=CC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029357854	1	50	0.0	-72.34	377.25	4.97	-67.37
C[NH+](C)CCOCC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029357888	0	52	0.0	-69.37	396.07	4.53	-64.84
CCCCC[N@H+](C)CCC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029357894	0	60	0.0	-67.77	444.85	6.81	-60.96
CCCCC[N@@H+](C)CCC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029357894	1	60	0.0	-67.43	444.85	6.80	-60.63
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029357903	0	56	0.0	-70.83	413.95	5.49	-65.34
C=CCC(C)(C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029357910	0	55	0.0	-58.56	385.91	4.86	-53.70
C[S+](C)CCC(O)C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029357915	0	51	0.0	-77.56	401.65	2.78	-74.78
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029357942	0	53	0.0	-57.21	375.39	0.92	-56.29
CN1CC[N@H+](C)CC(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029357954	0	57	0.0	-66.50	407.58	3.01	-63.49
CN1CC[N@@H+](C)CC(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029357954	1	57	0.0	-66.50	407.58	3.01	-63.49
CC(C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300029357955	0	56	0.0	-63.65	407.70	2.45	-61.20
C[N@@H+]1CCCC(O)(CC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029357974	0	56	0.0	-65.14	410.18	3.58	-61.56
C[N@H+]1CCCC(O)(CC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029357974	1	56	0.0	-65.14	410.18	3.58	-61.56
CC1CN(CC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029357977	0	49	0.0	-62.74	371.51	4.53	-58.21
CC1C[NH+](CC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029357977	1	49	0.0	-62.74	371.51	4.53	-58.21
CN(CCO)CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358004	0	49	0.0	-58.78	369.22	1.72	-57.06
C[N@H+](CCO)CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358004	1	49	0.0	-62.28	368.26	0.82	-61.46
C[N@@H+](CCO)CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358004	1	49	0.0	-62.28	368.26	0.82	-61.46
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1C[N@@H+]3CCN1CCC3)C2	REAL300029358027	0	55	0.0	-78.41	382.65	2.85	-75.56
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1C[N@H+]3CCN1CCC3)C2	REAL300029358027	1	55	0.0	-78.41	382.65	2.85	-75.56
CC[N@@H+]1CCCC(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029358033	0	55	0.0	-74.87	402.55	5.73	-69.14
CC[N@H+]1CCCC(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029358033	1	55	0.0	-74.87	402.55	5.73	-69.14
CC(CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029358035	0	54	0.0	-68.60	397.39	5.43	-63.17
CC[N@H+](C)CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358048	0	48	0.0	-58.94	358.82	4.95	-53.99
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C13CCC[N@@H+]1CCCC3)C2	REAL300029358076	0	56	0.0	-60.58	388.37	5.10	-55.48
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C13CCC[N@H+]1CCCC3)C2	REAL300029358076	1	56	0.0	-60.58	388.37	5.10	-55.48
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C13CCC[N@@H+]1CC=CC3)C2	REAL300029358083	0	54	0.0	-57.01	380.61	5.09	-51.92
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C13CCC[N@H+]1CC=CC3)C2	REAL300029358083	1	54	0.0	-57.01	380.61	5.09	-51.92
CC[N@H+](CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029358104	0	52	0.0	-59.53	386.66	5.28	-54.25
CC[NH+](CC)CCC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358122	0	54	0.0	-64.74	397.57	5.35	-59.39
CC1(C)CN(CC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029358147	0	52	0.0	-62.44	391.47	5.19	-57.25
CC1(C)C[NH+](CC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029358147	1	52	0.0	-62.44	391.47	5.19	-57.25
CC1(O)CC[N@H+](CC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029358175	0	53	0.0	-57.56	397.49	2.73	-54.83
C[NH+](C)CC=CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358182	0	49	0.0	-72.87	376.56	4.50	-68.37
CC(OCC[NH+](C)C)C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358204	0	55	0.0	-73.24	412.00	4.89	-68.35
C[NH+](C)CCOCCC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358213	0	55	0.0	-69.91	416.92	4.06	-65.85
COCCN(C)CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358214	0	52	0.0	-61.69	390.51	3.22	-58.47
COCC[N@H+](C)CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358214	1	52	0.0	-58.45	391.47	4.12	-54.33
COCC[N@@H+](C)CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358214	1	52	0.0	-58.45	391.47	4.12	-54.33
C[NH+](C)C1(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029358250	0	55	0.0	-71.58	380.99	5.05	-66.53
CC(CCC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029358253	0	54	0.0	-66.76	397.65	5.18	-61.58
CCN1CCC1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358262	0	49	0.0	-62.06	364.35	4.25	-57.81
CC[N@@H+]1CCC1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358262	1	49	0.0	-62.90	370.92	4.23	-58.67
CC[N@H+]1CCC1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358262	1	49	0.0	-62.90	370.92	4.23	-58.67
CC(C)[N@@H+]1CCCC(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029358272	0	58	0.0	-67.77	419.53	6.96	-60.81
CC(C)[N@H+]1CCCC(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029358272	1	58	0.0	-67.77	419.53	6.96	-60.81
O=C(C[N@H+]1CCCC1CO)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358285	0	53	0.0	-57.83	396.00	2.83	-55.00
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1CC3CCCC[N@@H+]3C1)C2	REAL300029358307	0	56	0.0	-69.25	405.01	6.84	-62.41
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1CC3CCCC[N@H+]3C1)C2	REAL300029358307	1	56	0.0	-69.25	405.01	6.84	-62.41
C[NH+]1CCC(C)(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029358313	0	55	0.0	-51.45	380.98	5.64	-45.81
C=CCC(C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029358343	0	52	0.0	-59.55	383.82	4.79	-54.76
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358356	0	55	0.0	-65.71	399.27	4.95	-60.76
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358356	1	55	0.0	-65.71	399.27	4.95	-60.76
C[NH+](C)CCCCCC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358360	0	57	0.0	-71.48	427.05	6.35	-65.13
CC1C[N@@H+]2CCN1C(C(=O)N1CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029358395	0	55	0.0	-77.40	390.02	3.02	-74.38
CCCC(C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029358396	0	54	0.0	-60.05	392.08	5.15	-54.90
C[NH+](C)C(C)(C)C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358400	0	51	0.0	-69.26	357.22	4.22	-65.04
C[N@@H+]1CCCCC1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358442	0	52	0.0	-63.59	381.41	5.12	-58.47
C[N@H+]1CC=C(CC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029358482	0	53	0.0	-65.35	400.59	6.54	-58.81
C[N@@H+]1CC=C(CC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029358482	1	53	0.0	-65.35	400.59	6.54	-58.81
O=C(CC1([NH+]2CCCC2)CC1)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358491	0	56	0.0	-62.42	405.36	6.14	-56.28
CN(C)CC1=CC=C(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029358540	0	52	0.0	-77.09	401.80	5.30	-71.79
C[NH+](C)CC1=CC=C(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029358540	1	52	0.0	-77.09	401.80	5.30	-71.79
O=C(C=CC[NH+]1CCCC1)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358557	0	53	0.0	-68.18	399.84	5.68	-62.50
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1CC[NH+](C3CC3)CC1)C2	REAL300029358581	0	56	0.0	-69.80	414.23	6.49	-63.31
O=C(CC[NH+]1CCCC1)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358604	0	52	0.0	-65.54	388.52	5.16	-60.38
C[N@@H+]1CC2CC1(C(=O)N1CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029358652	0	50	0.0	-68.96	368.00	4.44	-64.52
O=C(C[N@@H+]1CC2CCC1C2)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358666	0	53	0.0	-58.70	385.33	6.21	-52.49
O=C(C[N@H+]1CC2CCC1C2)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358666	1	53	0.0	-58.70	385.33	6.21	-52.49
O=C(C=C1C[NH+]2CCC1CC2)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358707	0	54	0.0	-65.68	395.75	5.78	-59.90
O=C(CN1CC2C=CC1C2)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358717	0	51	0.0	-57.25	380.44	6.26	-50.99
O=C(C[N@@H+]1CC2C=CC1C2)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358717	1	51	0.0	-57.02	380.54	6.27	-50.75
O=C(C[N@H+]1CC2C=CC1C2)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358717	1	51	0.0	-57.02	380.54	6.27	-50.75
CC(C[NH+](C)C)C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358769	0	51	0.0	-66.32	378.78	4.38	-61.94
C[N@@H+]1CCCCC1CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358847	0	55	0.0	-68.25	399.81	5.62	-62.63
C[N@H+]1CCCCC1CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358847	1	55	0.0	-68.15	399.75	5.47	-62.68
CC1=C2C=C(C(=O)N3CCC4(CCCN4C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029358863	1	50	0.0	-69.18	397.84	8.27	-60.91
CC(C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300029358864	0	52	0.0	-63.57	389.22	4.88	-58.69
CC1CC[N@@H+]1CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358867	1	49	0.0	-58.25	366.74	5.12	-53.13
CC1CC[N@H+]1CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358867	1	49	0.0	-58.31	367.28	5.02	-53.29
C[NH+](C)CC(O)CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358872	0	52	0.0	-71.49	392.80	2.49	-69.00
CC1C[N@H+](C)CC(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029358900	1	53	0.0	-73.38	387.16	4.28	-69.10
CC1C[N@@H+](C)CC(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029358900	1	53	0.0	-77.56	394.62	5.30	-72.26
O=C(CC[NH+]1CCC(O)CC1)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358909	0	56	0.0	-68.88	415.29	2.51	-66.37
CCC[N@@H+]1CCCCC1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358911	0	58	0.0	-56.08	419.21	6.30	-49.78
CCC[N@H+]1CCCCC1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358911	1	58	0.0	-59.44	416.83	7.19	-52.25
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029358990	0	52	0.0	-70.77	390.63	6.03	-64.74
CC(CC[NH+](C)C)C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358998	0	54	0.0	-69.92	395.87	5.04	-64.88
C[N@H+](CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029359019	0	56	0.0	-56.95	412.15	3.51	-53.44
C[N@@H+](CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029359019	1	56	0.0	-57.71	411.81	3.68	-54.03
C#CC[N@H+]1CCCCC1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029359028	1	54	0.0	-55.80	394.93	6.56	-49.24
C#CC[N@@H+]1CCCCC1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029359028	1	54	0.0	-53.60	394.64	6.52	-47.08
C[NH+]1CCN(CC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029359031	1	54	0.0	-70.45	399.28	2.87	-67.58
CC[NH+]1CCN(CC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029359040	0	57	0.0	-66.36	416.47	3.56	-62.80
NC(=[NH2+])SCC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029359066	0	43	0.0	-66.92	348.72	0.32	-66.60
CC[N@@H+]1CCOCC1CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029359103	0	56	0.0	-61.46	404.96	4.59	-56.87
C[NH+](C)C1CCC(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029359119	0	58	0.0	-69.71	408.61	6.71	-63.00
C[NH+](C)CCC1(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029359120	0	55	0.0	-50.59	406.83	6.57	-44.02
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029359122	0	58	0.0	-59.11	408.83	5.71	-53.40
C[N@@H+]1CC=CCC1CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029359123	0	53	0.0	-68.97	391.67	5.37	-63.60
C[N@H+]1CC=CCC1CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029359123	1	53	0.0	-68.97	391.67	5.37	-63.60
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029359146	0	55	0.0	-69.27	411.35	5.02	-64.25
C[NH+]1C2CCC1CC(C(=O)N1CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029359174	0	56	0.0	-56.05	368.17	5.14	-50.91
CC(C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300029359284	1	53	0.0	-62.24	398.34	5.18	-57.06
CCC1C[NH+](CC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029359286	0	52	0.0	-63.19	392.96	5.25	-57.94
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1([NH+]3CCCC3)CCC1)C2	REAL300029359288	0	56	0.0	-67.63	395.34	5.88	-61.75
C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029359297	1	49	0.0	-66.10	359.37	4.05	-62.05
O=C(CC[N@@H+]1CCC(F)C1)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029359304	1	52	0.0	-70.44	394.85	5.21	-65.23
COC1C[N@@H+](C)C(C)(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029359312	1	56	0.0	-56.99	401.68	3.57	-53.42
O=C(CC[NH+]1CCCCCC1)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029359321	0	58	0.0	-67.55	414.28	5.91	-61.64
O=C(C[NH+]1CCCCC1)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029359323	0	52	0.0	-58.50	382.83	6.15	-52.35
CC1C(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029359333	0	52	0.0	-69.42	381.85	4.77	-64.65
CC1C(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029359333	1	52	0.0	-70.36	377.12	4.68	-65.68
C[N@@H+]1CCCCC1CCC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029359335	0	58	0.0	-61.76	415.44	6.96	-54.80
C[N@H+]1CCCCC1CCC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029359335	1	58	0.0	-65.49	422.24	6.51	-58.98
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1CC[N@@H+]3CCOCC13)C2	REAL300029359365	0	54	0.0	-63.39	393.32	4.29	-59.10
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1CC[N@H+]3CCOCC13)C2	REAL300029359365	1	54	0.0	-69.97	395.95	4.41	-65.56
CC1=[NH+]C=C2C=CC(C(=O)N3CCC4(CCCN4C(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300029359370	0	50	0.0	-66.13	397.61	6.73	-59.40
CN1CCOCC1CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029359387	0	53	0.0	-71.22	391.13	3.12	-68.10
C[N@@H+]1CCOCC1CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029359387	1	53	0.0	-71.22	391.08	3.30	-67.92
C[N@H+]1CCOCC1CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029359387	1	53	0.0	-71.22	391.13	3.12	-68.10
CC1=C(C)[NH+]=C(CCC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029359395	1	53	0.0	-61.10	410.49	4.57	-56.53
C[N@@H+]1CCCC1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029359567	0	49	0.0	-63.98	364.97	5.00	-58.98
C[N@H+]1CCCC1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029359567	1	49	0.0	-68.66	363.85	4.25	-64.41
CC1=[NH+]C=CN1CCCC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029359753	1	53	0.0	-69.44	411.29	6.30	-63.14
C[NH+](C)CC1=CC=C(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C=C1	REAL300029359758	0	55	0.0	-85.13	414.81	6.49	-78.64
O=C(CC[NH+]1CCOCC1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029359759	1	53	0.0	-76.76	395.59	3.40	-73.36
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300029359785	1	47	0.0	-81.40	367.38	6.52	-74.88
C[NH+](C)C1CCCC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029359837	0	58	0.0	-57.06	409.14	6.67	-50.39
C[N@@H+]1CCC(CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029359840	0	52	0.0	-76.23	386.94	5.19	-71.04
C[N@H+]1CCC(CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029359840	1	52	0.0	-74.05	386.49	5.01	-69.04
CCC(C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029359855	0	51	0.0	-68.05	368.98	4.24	-63.81
C[NH+](C)CCCCC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029359914	0	54	0.0	-73.84	406.60	6.45	-67.39
CCC[N@H+](C)CCC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029359934	0	54	0.0	-75.18	401.91	5.35	-69.83
CCC[N@@H+](C)CCC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029359934	1	54	0.0	-71.29	402.75	6.26	-65.03
CCC[N@H+](C)CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029359938	0	51	0.0	-72.25	379.52	4.75	-67.50
CCC[N@@H+](C)CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029359938	1	51	0.0	-72.24	379.50	4.77	-67.47
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300029359956	0	53	0.0	-87.73	371.81	4.17	-83.56
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300029359956	1	53	0.0	-72.65	374.39	5.03	-67.62
CCCCCC[N@H+](C)CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029359985	0	60	0.0	-73.71	444.03	7.00	-66.71
CCCCCC[N@@H+](C)CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029359985	1	60	0.0	-73.60	443.99	7.11	-66.49
CC1CC[NH+](CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029360020	0	55	0.0	-70.34	403.74	6.77	-63.57
C[NH+]1CCC(OCC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029360042	0	56	0.0	-81.15	420.21	5.30	-75.85
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300029360080	0	56	0.0	-73.18	404.99	6.85	-66.33
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300029360080	1	56	0.0	-79.95	403.85	5.94	-74.01
C[NH+](C)CC1(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029360090	0	52	0.0	-73.84	390.29	5.94	-67.90
CC1=[NH+]C=C2CCC(C(=O)N3CCCC34CCN(C(=O)C3=CC(=O)[N-]O3)C4)CN21	REAL300029360091	1	54	0.0	-69.61	408.95	6.15	-63.46
CC(C)[NH+]1CCC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029360101	0	58	0.0	-76.84	414.80	5.84	-71.00
CC[N@H+](C)CCC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029360123	0	51	0.0	-74.34	380.47	4.52	-69.82
CC[N@@H+](C)CCC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029360123	1	51	0.0	-74.33	380.42	4.61	-69.72
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2C[NH+]3CCC2CC3)C1	REAL300029360153	0	53	0.0	-78.15	379.92	5.80	-72.35
C[NH+]1CCC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029360221	0	52	0.0	-79.08	380.50	4.66	-74.42
CC[NH+](CC)CC(F)C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029360309	0	54	0.0	-74.56	395.33	4.92	-69.64
CC(C)C[N@@H+]1CCC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029360336	0	58	0.0	-67.00	424.22	7.08	-59.92
CC(C)C[N@H+]1CCC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029360336	1	58	0.0	-72.38	421.66	6.22	-66.16
CCC(C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](CC)CC	REAL300029360361	0	57	0.0	-65.21	400.60	5.47	-59.74
CC1CCC[N@@H+]1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029360377	0	52	0.0	-69.42	386.36	4.91	-64.51
CC1CCC[N@H+]1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029360377	1	52	0.0	-63.42	379.94	5.58	-57.84
CC(C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCCC1	REAL300029360438	0	58	0.0	-63.39	409.32	6.52	-56.87
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029360457	0	55	0.0	-71.62	387.16	5.63	-65.99
CC(C)[N@H+]1CCCC1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029360457	1	55	0.0	-69.02	396.06	5.27	-63.75
CC(C)[N@@H+]1CCCC1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029360462	0	58	0.0	-69.52	412.97	6.52	-63.00
CC(C)[N@H+]1CCCC1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029360462	1	58	0.0	-73.33	422.76	6.25	-67.08
CC1CC[N@H+](CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029360492	0	52	0.0	-72.63	385.88	5.17	-67.46
CC1CC[N@@H+](CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029360492	1	52	0.0	-72.45	386.18	5.18	-67.27
CC1=[NH+]C=C2CC(C(=O)N3CCCC34CCN(C(=O)C3=CC(=O)[N-]O3)C4)CCN21	REAL300029360493	1	54	0.0	-74.87	405.06	5.87	-69.00
CC1(C)CC[N@H+](CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029360496	0	55	0.0	-71.89	405.31	5.61	-66.28
CC1(C)CC[N@@H+](CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029360496	1	55	0.0	-72.73	406.18	5.69	-67.04
C[N@H+](CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300029360497	0	57	0.0	-72.61	407.89	5.73	-66.88
C[N@@H+](CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300029360497	1	57	0.0	-72.83	409.60	5.87	-66.96
CC[C@@H](C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029360504	0	51	0.0	-64.13	368.72	5.04	-59.09
CN(CCC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=[NH+]C=C1	REAL300029360619	0	54	0.0	-72.34	416.02	5.99	-66.35
CC1=[NH+]C=CN1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029360697	1	47	0.0	-66.50	369.74	4.86	-61.64
CC(C[NH+]1CCOCC1)C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029360699	1	56	0.0	-71.32	412.13	4.88	-66.44
O=C(CCC[NH+]1CCCCC1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029360713	0	58	0.0	-73.12	425.36	6.61	-66.51
C[NH+](C)CC1=CC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)=NO1	REAL300029360726	1	51	0.0	-78.85	395.36	4.57	-74.28
CC1=C(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C=CC2=C[NH+]=CN21	REAL300029360727	0	50	0.0	-74.06	381.43	6.67	-67.39
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029360760	1	53	0.0	-66.52	406.01	6.10	-60.42
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300029360793	0	56	0.0	-74.92	396.43	5.79	-69.13
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300029360793	1	56	0.0	-65.71	400.49	5.80	-59.91
CC[N@@H+]1CCOC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029360812	1	53	0.0	-79.66	384.38	4.00	-75.66
CC[N@H+]1CCOC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029360812	1	53	0.0	-86.59	390.70	4.10	-82.49
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300029360852	0	47	0.0	-75.05	367.21	6.49	-68.56
CC1=C[NH+]=CN1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029360857	1	47	0.0	-70.54	370.06	5.69	-64.85
C[C@@H]1[C@H](C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029360871	0	52	0.0	-78.47	375.72	4.35	-74.12
C[C@@H]1[C@H](C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029360871	1	52	0.0	-70.01	382.54	5.82	-64.19
CC[C@@H]1[C@@H](C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029360875	0	55	0.0	-71.73	399.36	5.85	-65.88
CC[C@@H]1[C@@H](C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029360875	1	55	0.0	-76.11	400.18	5.25	-70.86
CC1CCC(C)[NH+]1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029360885	0	55	0.0	-70.54	397.92	5.42	-65.12
O=C(CCC[NH+]1CCCC1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029360891	0	55	0.0	-72.47	409.68	5.92	-66.55
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029360892	0	55	0.0	-76.87	414.33	6.29	-70.58
C#CC[NH+]1CCC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029360897	0	54	0.0	-82.00	410.29	6.20	-75.80
O=C(CC[NH+]1CCCCC1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029360898	0	55	0.0	-68.83	405.29	6.63	-62.20
O=C(CN1C=[NH+]C2=C1CCCC2)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029360909	1	54	0.0	-71.24	411.86	7.44	-63.80
C[NH+](C)C1(CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300029360936	0	58	0.0	-80.48	404.46	5.88	-74.60
C[N@H+](CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300029361070	0	52	0.0	-69.59	386.42	5.22	-64.37
C[N@@H+](CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300029361070	1	52	0.0	-70.35	386.54	5.23	-65.12
CC(C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1C(C)CCC1C	REAL300029361088	0	58	0.0	-73.94	401.11	5.61	-68.33
O=C(CCCC[NH+]1CCCC1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029361101	0	58	0.0	-71.89	432.57	7.62	-64.27
C[N@H+](CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300029361103	1	55	0.0	-78.00	416.95	6.94	-71.06
C[N@@H+](CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300029361103	1	55	0.0	-78.22	416.93	6.84	-71.38
C[NH+]1CCC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029361114	0	52	0.0	-79.08	380.50	4.66	-74.42
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029361149	0	49	0.0	-73.84	358.88	3.87	-69.97
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029361149	1	49	0.0	-65.24	361.83	5.10	-60.14
C[N@@H+]1CCCC1CCC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029361175	0	55	0.0	-79.39	403.96	5.63	-73.76
C[N@H+]1CCCC1CCC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029361175	1	55	0.0	-70.71	401.97	5.43	-65.28
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300029361189	0	56	0.0	-70.52	400.16	5.83	-64.69
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300029361189	1	56	0.0	-70.46	400.17	5.86	-64.60
CCC[N@@H+]1CCCC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029361249	0	58	0.0	-68.72	425.05	7.10	-61.62
CCC[N@H+]1CCCC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029361249	1	58	0.0	-63.91	414.29	6.42	-57.49
CC(C)[N@@H+]1CCOC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029361262	1	56	0.0	-71.85	400.74	4.63	-67.22
CC(C)[N@H+]1CCOC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029361262	1	56	0.0	-85.57	407.69	4.56	-81.01
O=C(C[NH+]1CCC(CO)CC1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029361319	0	56	0.0	-76.90	413.78	2.43	-74.47
CC1C(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029361362	0	52	0.0	-73.28	381.43	4.79	-68.49
CC1C(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029361362	1	52	0.0	-75.38	380.39	4.92	-70.46
C[N@@H+]1CCCCC1CCC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029361364	0	58	0.0	-74.32	415.21	6.94	-67.38
C[N@H+]1CCCCC1CCC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029361364	1	58	0.0	-79.47	414.28	5.98	-73.49
NC1=[NH+]C2=C(C=C1C(=O)N1CCCC13CCN(C(=O)C1=CC(=O)[N-]O1)C3)CCC2	REAL300029361390	1	52	0.0	-65.07	392.81	4.10	-60.97
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029361439	0	55	0.0	-65.75	402.14	5.84	-59.91
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029361439	1	55	0.0	-70.17	401.85	5.11	-65.06
C[C@@H](C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029361457	0	48	0.0	-67.05	357.74	4.55	-62.50
C[NH+](C)CC1=CC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)=CC=N1	REAL300029361471	1	54	0.0	-71.93	409.74	4.82	-67.11
C=CCC(C)(C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029361475	0	55	0.0	-77.58	384.12	4.82	-72.76
O=C(CC[NH+]1CCCC1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029361500	0	52	0.0	-69.76	389.50	6.03	-63.73
C[N@H+](CCO)CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029361509	1	49	0.0	-73.52	368.40	0.78	-72.74
C[N@@H+](CCO)CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029361509	1	49	0.0	-72.71	368.31	0.80	-71.91
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300029361542	0	55	0.0	-86.26	383.70	2.70	-83.56
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300029361542	1	55	0.0	-83.68	387.02	2.58	-81.10
CC(C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCSCC1	REAL300029361561	1	53	0.0	-74.60	391.11	4.90	-69.70
C[N@H+]1CC=C(CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029361594	0	53	0.0	-62.93	400.32	6.64	-56.29
C[N@@H+]1CC=C(CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029361594	1	53	0.0	-57.90	400.32	6.62	-51.28
C[S+](C)CCC(O)C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029361606	0	51	0.0	-85.58	400.80	2.60	-82.98
CN1CC[N@H+](C)CC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029361635	0	57	0.0	-65.01	412.73	4.12	-60.89
CN1CC[N@@H+](C)CC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029361635	1	57	0.0	-65.35	408.12	3.73	-61.62
CC(C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)[N@@H+]1CCCC(O)C1	REAL300029361636	0	56	0.0	-70.09	409.77	2.18	-67.91
CC(C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)[N@H+]1CCCC(O)C1	REAL300029361636	1	56	0.0	-72.94	407.84	2.33	-70.61
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029361667	0	56	0.0	-72.32	407.77	3.56	-68.76
C[N@H+]1CCCC(O)(CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029361667	1	56	0.0	-72.81	398.06	3.48	-69.33
CC1C[NH+](CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029361671	1	49	0.0	-68.94	371.32	5.34	-63.60
CC[N@@H+]1CCCC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029361676	0	55	0.0	-63.36	393.07	5.93	-57.43
CC[N@H+]1CCCC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029361676	1	55	0.0	-72.67	402.96	5.60	-67.07
NC1=[NH+]C=CC=C1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029361682	0	48	0.0	-64.47	374.54	3.18	-61.29
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300029361693	0	53	0.0	-70.38	391.39	6.18	-64.20
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300029361693	1	53	0.0	-73.70	378.18	4.82	-68.88
O=C(C=CC[NH+]1CCCC1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029361732	0	53	0.0	-76.48	401.62	5.76	-70.72
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300029361753	0	56	0.0	-75.44	412.86	6.30	-69.14
CC[N@H+](C)CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029361789	0	48	0.0	-72.05	358.00	4.03	-68.02
O=C(CN1CC2C=CC1C2)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029361841	0	51	0.0	-68.52	379.68	5.31	-63.21
O=C(C[N@@H+]1CC2C=CC1C2)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029361841	1	51	0.0	-63.13	380.59	6.15	-56.98
O=C(C[N@H+]1CC2C=CC1C2)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029361841	1	51	0.0	-63.13	380.59	6.15	-56.98
CC1=CC=C(NCCC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)[NH+]=C1	REAL300029361861	1	54	0.0	-69.59	419.16	4.77	-64.82
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2C[NH+]3CCN2CC3)C1	REAL300029361915	0	52	0.0	-79.16	374.61	2.40	-76.76
CC(OCC[NH+](C)C)C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029361967	0	55	0.0	-66.58	411.44	4.71	-61.87
C[NH+](C)CCOCCC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029361977	0	55	0.0	-72.54	418.07	5.10	-67.44
COCC[N@H+](C)CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029361979	1	52	0.0	-72.37	390.60	3.20	-69.17
COCC[N@@H+](C)CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029361979	1	52	0.0	-74.11	390.60	3.20	-70.91
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2C[NH+](C3CCOC3)C2)C1	REAL300029361980	0	54	0.0	-78.65	406.12	3.68	-74.97
CC(CCC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029361985	0	54	0.0	-78.12	394.75	6.02	-72.10
C[NH+]1CCC(=CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029362002	0	53	0.0	-70.13	392.94	5.66	-64.47
CC[N@H+](CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029362009	0	52	0.0	-69.00	389.12	5.38	-63.62
CC[N@@H+](CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029362009	1	52	0.0	-70.86	386.89	5.51	-65.35
CC1C[N@@H+]2CCN1C(C(=O)N1CCCC13CCN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029362019	0	55	0.0	-83.12	389.75	2.07	-81.05
CC1C[N@H+]2CCN1C(C(=O)N1CCCC13CCN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029362019	1	55	0.0	-84.85	391.22	3.01	-81.84
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362048	1	52	0.0	-73.94	404.29	4.02	-69.92
O=C(C[N@@H+]1CC2CCC1C2)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362054	0	53	0.0	-70.82	386.87	5.45	-65.37
O=C(C[N@H+]1CC2CCC1C2)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362054	1	53	0.0	-69.45	384.41	5.45	-64.00
CC(C[NH+](C)C)C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362073	0	51	0.0	-75.43	377.73	4.43	-71.00
C[C@H](C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029362107	0	48	0.0	-71.29	356.90	3.70	-67.59
CC[N@@H+]1CCC1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362116	1	49	0.0	-66.83	365.35	4.96	-61.87
CC[N@H+]1CCC1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362116	1	49	0.0	-66.11	364.21	4.88	-61.23
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029362126	0	58	0.0	-71.84	419.54	6.14	-65.70
CC(C)[N@H+]1CCCC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029362126	1	58	0.0	-71.32	415.45	6.13	-65.19
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362137	0	57	0.0	-71.35	402.26	3.71	-67.64
C#CC[N@H+]1CCCCC1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362178	1	54	0.0	-69.22	406.08	6.12	-63.10
C#CC[N@@H+]1CCCCC1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362178	1	54	0.0	-69.79	394.23	5.66	-64.13
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362179	1	51	0.0	-65.20	390.23	4.79	-60.41
NC1=CC=[NH+]C=C1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362180	0	45	0.0	-77.64	348.49	1.52	-76.12
CCCC(C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029362189	0	54	0.0	-70.57	392.56	5.18	-65.39
CC(CC[NH+](C)C)C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362211	0	54	0.0	-74.44	399.38	5.05	-69.39
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362307	0	55	0.0	-67.76	401.74	5.34	-62.42
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362307	1	55	0.0	-66.43	400.21	5.83	-60.60
C[NH+](C)CCCCCC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362312	0	57	0.0	-73.48	428.10	7.23	-66.25
O=C(CC[NH+]1CCC(O)CC1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362316	0	56	0.0	-76.90	414.94	2.44	-74.46
CCC[N@@H+]1CCCCC1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362319	0	58	0.0	-71.14	408.23	5.74	-65.40
CCC[N@H+]1CCCCC1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362319	1	58	0.0	-68.51	419.98	6.30	-62.21
C[NH+]1CCN(CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029362328	1	54	0.0	-67.35	400.26	3.68	-63.67
CC1C[N@H+](C)CC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029362419	1	53	0.0	-91.97	387.97	4.61	-87.36
CC1C[N@@H+](C)CC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029362419	1	53	0.0	-77.58	387.15	4.01	-73.57
CCC1CCC[N@H+](CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029362449	0	58	0.0	-74.30	414.29	6.44	-67.86
CCC1CCC[N@@H+](CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029362449	1	58	0.0	-69.55	422.18	7.40	-62.15
C[NH+](C)CC1=CC=C(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300029362457	0	53	0.0	-91.90	403.54	5.51	-86.39
O=C(C[NH+]1CC2CC2C1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362471	0	50	0.0	-69.61	376.83	6.13	-63.48
O=C(CC1([NH+]2CCCC2)CC1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362484	0	56	0.0	-66.70	406.32	7.06	-59.64
C[N@@H+]1CCCCC1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362516	0	52	0.0	-70.96	368.92	4.47	-66.49
C[N@H+]1CCCCC1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362516	1	52	0.0	-72.76	372.74	4.56	-68.20
C[N@@H+]1CCC(=CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029362616	0	50	0.0	-75.28	378.21	4.80	-70.48
C[N@H+]1CCC(=CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029362616	1	50	0.0	-75.23	377.78	5.17	-70.06
O=C(CNC1=CC=[NH+]C=C1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362621	0	48	0.0	-74.21	376.03	2.64	-71.57
CC[NH+]1CCN(CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029362670	0	57	0.0	-66.44	418.00	4.36	-62.08
O=C(C=C1C[NH+]2CCC1CC2)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362671	0	54	0.0	-62.66	395.78	5.78	-56.88
C[N@H+](CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300029362710	0	56	0.0	-66.18	410.80	2.66	-63.52
C[N@@H+](CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300029362710	1	56	0.0	-70.11	411.31	2.55	-67.56
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362727	0	49	0.0	-68.92	361.55	4.21	-64.71
C[N@H+]1CCC[C@H]1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362727	1	49	0.0	-73.67	359.27	4.04	-69.63
CCN1CCOCC1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362755	0	56	0.0	-78.89	408.30	3.75	-75.14
CC[N@@H+]1CCOCC1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362755	1	56	0.0	-79.68	408.10	3.84	-75.84
CC[N@H+]1CCOCC1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362755	1	56	0.0	-79.68	408.10	3.84	-75.84
NC1=NC2=CC(C(=O)N3CCCC34CCN(C(=O)C3=CC(=O)[N-]O3)C4)=CC=C2N1	REAL300029362831	0	49	0.0	-75.79	381.81	5.18	-70.61
NC1=[NH+]C2=CC(C(=O)N3CCCC34CCN(C(=O)C3=CC(=O)[N-]O3)C4)=CC=C2N1	REAL300029362831	1	49	0.0	-75.79	381.81	5.18	-70.61
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029362864	0	52	0.0	-75.10	389.62	5.08	-70.02
C[NH+](C)C1CCC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029362878	0	58	0.0	-67.29	409.17	5.89	-61.40
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029362880	0	58	0.0	-68.09	409.60	6.76	-61.33
C[N@@H+]1CC=CCC1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362881	0	53	0.0	-77.70	391.85	5.44	-72.26
C[N@H+]1CC=CCC1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362881	1	53	0.0	-65.41	386.79	5.44	-59.97
CC1=CC(C=CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)=C[NH+]=C1N	REAL300029362928	1	52	0.0	-78.73	405.22	5.26	-73.47
C[NH+](C)CCOCC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362940	0	52	0.0	-69.95	396.19	4.29	-65.66
CCCCC[N@H+](C)CCC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362946	0	60	0.0	-71.96	445.75	7.84	-64.12
CCCCC[N@@H+](C)CCC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362946	1	60	0.0	-76.04	444.90	6.90	-69.14
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029362956	0	56	0.0	-71.26	416.65	5.08	-66.18
[NH2+]=C1SC=CN1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362974	0	45	0.0	-66.69	367.34	3.55	-63.14
C[C@@H](OCC[NH+](C)C)C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029363036	0	55	0.0	-61.58	413.23	5.58	-56.00
O=C(CC[NH+]1CCCCCC1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029363070	0	58	0.0	-73.63	412.45	6.35	-67.28
C[N@@H+]1CCCC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029363076	0	52	0.0	-78.95	375.78	5.72	-73.23
C[N@H+]1CCCC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029363076	1	52	0.0	-78.95	375.78	5.72	-73.23
O=C(C[NH+]1CCCCCC1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029363080	0	55	0.0	-71.57	391.27	5.40	-66.17
CN1C=C[N+](CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029363085	0	47	0.0	-64.49	372.48	7.79	-56.70
CN(C)CC1=CC=C(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029363100	0	52	0.0	-86.74	401.39	5.32	-81.42
C[NH+](C)CC1=CC=C(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029363100	1	52	0.0	-86.74	401.39	5.32	-81.42
O=C(CN1CCC(O)CC1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029363116	0	53	0.0	-77.71	393.19	1.78	-75.93
O=C(C[NH+]1CCC(O)CC1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029363116	1	53	0.0	-77.71	393.19	1.78	-75.93
C[N@H+](CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029363121	0	49	0.0	-69.75	369.71	4.75	-65.00
CC(C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)N1CCN(C)CC1	REAL300029363123	0	57	0.0	-61.63	409.74	2.79	-58.84
CC(C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)N1CC[NH+](C)CC1	REAL300029363123	1	57	0.0	-61.63	409.74	2.79	-58.84
O=C(CC[N@H+]1CCC(F)C1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029363126	0	52	0.0	-75.20	395.44	5.30	-69.90
CC(CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300029363150	0	54	0.0	-74.00	397.87	5.41	-68.59
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300029363165	0	54	0.0	-78.74	398.22	4.45	-74.29
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2CC[N@H+]3CCOCC23)C1	REAL300029363165	1	54	0.0	-78.74	398.22	4.45	-74.29
CN1CCOCC1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029363187	0	53	0.0	-81.96	390.69	3.26	-78.70
C[N@@H+]1CCOCC1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029363187	1	53	0.0	-57.44	384.41	3.87	-53.57
C[N@H+]1CCOCC1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029363187	1	53	0.0	-57.44	384.41	3.87	-53.57
CC1=CC(N)=NC=C1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029363236	0	48	0.0	-79.74	369.37	2.78	-76.96
CC1=CC(N)=[NH+]C=C1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029363236	1	48	0.0	-79.74	369.37	2.78	-76.96
CC1(O)CC[N@H+](CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029363273	0	53	0.0	-69.26	397.79	2.60	-66.66
C[NH+]1CC(CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029363306	0	49	0.0	-73.19	371.74	4.20	-68.99
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300029363311	0	56	0.0	-73.09	402.94	5.72	-67.37
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300029363311	1	56	0.0	-73.09	402.94	5.72	-67.37
C[N@H+](CCO)CCC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029363346	0	52	0.0	-68.89	391.59	2.29	-66.60
C[N@@H+](CCO)CCC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029363346	1	52	0.0	-68.89	391.59	2.29	-66.60
C[N@@H+]1CCCCC1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029363365	0	55	0.0	-56.38	392.89	6.35	-50.03
C[N@H+]1CCCCC1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029363365	1	55	0.0	-56.38	392.89	6.35	-50.03
CC1=C2C=C(C(=O)N3CCCC34CCN(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=N1	REAL300029363384	0	50	0.0	-79.95	389.29	7.08	-72.87
CC1=C2C=C(C(=O)N3CCCC34CCN(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300029363384	1	50	0.0	-79.95	389.29	7.08	-72.87
CC1CCN1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029363388	0	49	0.0	-71.73	371.95	4.51	-67.22
CC1CC[N@@H+]1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029363388	1	49	0.0	-66.77	372.62	5.26	-61.51
CC1CC[N@H+]1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029363388	1	49	0.0	-66.77	372.62	5.26	-61.51
C[NH+](C)CC=CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029363399	0	49	0.0	-74.19	376.03	5.49	-68.70
CC1(C)CN(CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029363411	0	52	0.0	-68.40	391.85	5.81	-62.59
CC1(C)C[NH+](CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029363411	1	52	0.0	-68.40	391.85	5.81	-62.59
CC1=C(C)NC(CCC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300029363429	0	53	0.0	-68.34	410.53	4.66	-63.68
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300029363429	1	53	0.0	-68.34	410.53	4.66	-63.68
CC1=C2C=C(C(=O)N3CCCC34CCN(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=N1	REAL300029363439	0	50	0.0	-79.95	389.29	7.08	-72.87
CC1=C2C=C(C(=O)N3CCCC34CCN(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300029363439	1	50	0.0	-79.95	389.29	7.08	-72.87
C[NH+](C)CCSCC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029363448	0	52	0.0	-80.33	407.22	5.35	-74.98
O=C(C[N@H+]1CCCC1CO)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029363472	0	53	0.0	-68.26	386.15	1.90	-66.36
CC[NH+](CC)CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029363476	0	51	0.0	-67.24	376.67	5.60	-61.64
C[N@H+](CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300029363487	0	53	0.0	-79.44	399.63	5.57	-73.87
O=C(CN1CCC1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029363489	0	46	0.0	-72.79	350.80	4.06	-68.73
O=C(C[NH+]1CCC1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029363489	1	46	0.0	-72.79	350.80	4.06	-68.73
CC[NH+](CC)CCC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029363528	0	54	0.0	-70.87	394.98	5.95	-64.92
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300029363603	0	54	0.0	-75.73	395.48	3.53	-72.20
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2CC3COCC[N@H+]3C2)C1	REAL300029363603	1	54	0.0	-75.73	395.48	3.53	-72.20
CC(C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)N1CCC1	REAL300029363616	0	49	0.0	-65.76	365.43	4.97	-60.79
CC(C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300029363616	1	49	0.0	-65.76	365.43	4.97	-60.79
CCC(CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300029363623	0	57	0.0	-75.60	411.46	5.93	-69.67
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029363680	0	52	0.0	-69.80	381.03	4.97	-64.83
CC1CN2CC[N@@H+]1CC2C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029363693	0	55	0.0	-78.12	389.11	2.17	-75.95
C[NH+](C)CC(O)CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029363713	0	52	0.0	-77.68	392.86	2.24	-75.44
C[NH+]1C2CCC1CC(C(=O)N1CCCC13CCN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029363716	0	56	0.0	-77.57	365.79	5.16	-72.41
C=CCC(C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029363748	0	52	0.0	-68.19	380.54	4.70	-63.49
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300029363755	0	56	0.0	-79.95	403.85	5.94	-74.01
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300029363755	1	56	0.0	-79.95	403.85	5.94	-74.01
C[NH+]1CCC(O)(CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029363764	0	56	0.0	-69.21	408.25	3.69	-65.52
CC1=C2C=C(C(=O)N3CCC4(CCCN4C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=N1	REAL300029363843	0	50	0.0	-69.18	397.84	8.27	-60.91
CC1=C2C=C(C(=O)N3CCC4(CCCN4C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029363843	1	50	0.0	-69.18	397.84	8.27	-60.91
C[NH+](C)CCSCC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029363852	0	52	0.0	-73.53	407.10	5.39	-68.14
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1CC3COCC[N@@H+]3C1)C2	REAL300029363860	0	54	0.0	-62.19	396.47	3.63	-58.56
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1CC3COCC[N@H+]3C1)C2	REAL300029363860	1	54	0.0	-67.42	395.00	3.57	-63.85
C[N@@H+]1CCCC1C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029364024	0	52	0.0	-73.40	390.47	4.69	-68.71
C[N@H+]1CCCC1C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029364024	1	52	0.0	-72.04	392.35	4.89	-67.15
C[N@@H+]1CCOC(C(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029364048	1	53	0.0	-79.72	398.03	4.19	-75.53
C[N@H+]1CCOC(C(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029364048	1	53	0.0	-89.17	405.21	4.37	-84.80
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029364204	0	58	0.0	-72.61	423.15	6.58	-66.03
CC(C)[N@H+]1CCCC1C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029364204	1	58	0.0	-72.10	419.65	6.23	-65.87
CC1=[NH+]C=CN1CC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029364237	1	50	0.0	-71.57	400.78	5.72	-65.85
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCCN(C(=O)C3C[NH+]4CCC3CC4)C2)C1	REAL300029364265	0	56	0.0	-82.97	408.10	5.62	-77.35
C[C@@H]1[C@H](C(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029364299	0	55	0.0	-78.22	407.63	5.65	-72.57
C[C@@H]1[C@H](C(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029364299	1	55	0.0	-77.45	411.58	5.89	-71.56
CC[C@@H]1[C@@H](C(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029364301	0	58	0.0	-75.23	427.08	5.73	-69.50
CC[C@@H]1[C@@H](C(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029364301	1	58	0.0	-75.51	429.18	6.13	-69.38
CC[N@@H+]1CCOC(C(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029364308	1	56	0.0	-78.53	416.32	4.78	-73.75
CC[N@H+]1CCOC(C(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029364308	1	56	0.0	-78.69	416.43	4.88	-73.81
CC[NH+](CC)CC(F)C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029364336	0	57	0.0	-69.86	428.24	5.74	-64.12
CC1CCC(C)[NH+]1CC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029364372	0	58	0.0	-71.26	429.00	5.91	-65.35
O=C(CCC[NH+]1CCCC1)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029364375	0	58	0.0	-76.28	440.54	6.60	-69.68
O=C(CC[NH+]1CCCCC1)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029364378	0	58	0.0	-76.72	436.30	6.63	-70.09
CC[N@@H+]1CCCCC1C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029364381	0	58	0.0	-73.29	422.85	6.05	-67.24
CC[N@H+]1CCCCC1C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029364381	1	58	0.0	-70.19	429.63	6.29	-63.90
C[NH+](C)C1(C(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCC1	REAL300029364392	0	55	0.0	-76.27	397.56	5.00	-71.27
CC(C)[C@@H](C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029364399	0	57	0.0	-72.10	413.26	5.55	-66.55
C[N@H+](CC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300029364424	0	55	0.0	-73.28	418.54	6.10	-67.18
C[N@@H+](CC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300029364424	1	55	0.0	-73.13	418.21	6.10	-67.03
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029364500	1	54	0.0	-71.80	417.77	5.91	-65.89
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029364500	1	54	0.0	-72.44	420.93	6.26	-66.18
C[N@@H+]1CCCC1CCC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029364505	0	58	0.0	-80.20	439.77	6.68	-73.52
C[N@H+]1CCCC1CCC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029364505	1	58	0.0	-74.97	434.07	6.21	-68.76
C[NH+]1CCC(C(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029364525	0	55	0.0	-71.30	415.98	5.71	-65.59
C[N@@H+]1CCCCC1C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029364564	0	55	0.0	-71.32	411.99	5.67	-65.65
C[N@H+]1CCCCC1C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029364564	1	55	0.0	-71.66	412.16	5.67	-65.99
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)C2)C1	REAL300029364634	0	50	0.0	-77.99	406.96	7.49	-70.50
O=C(CC[NH+]1CCOCC1)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029364641	1	56	0.0	-80.22	427.57	4.20	-76.02
CC1=C[NH+]=CN1CC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029364654	1	50	0.0	-73.84	401.09	6.43	-67.41
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1	REAL300029364675	0	56	0.0	-70.19	408.58	5.43	-64.76
C[N@@H+]1CCC(CC(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029364686	0	55	0.0	-78.83	418.63	5.79	-73.04
C[N@H+]1CCC(CC(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029364686	1	55	0.0	-76.92	419.32	5.80	-71.12
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029364692	0	54	0.0	-82.68	424.73	4.01	-78.67
CCC(C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029364694	0	54	0.0	-73.13	401.55	5.17	-67.96
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)C2)C1	REAL300029364721	1	50	0.0	-81.25	407.23	7.45	-73.80
C[NH+](C)CCCCC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029364753	0	57	0.0	-78.60	437.66	6.31	-72.29
CC(C)C(C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029364767	0	57	0.0	-73.82	411.70	5.61	-68.21
CCC[N@H+](C)CCC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029364768	0	57	0.0	-78.15	433.89	6.16	-71.99
CCC[N@@H+](C)CCC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029364768	1	57	0.0	-78.15	433.89	6.14	-72.01
CCC[N@H+](C)CC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029364772	0	54	0.0	-75.27	411.60	5.55	-69.72
CCC[N@@H+](C)CC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029364772	1	54	0.0	-75.21	411.61	5.55	-69.66
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCCN(C(=O)C34CC[N@H+](C3)CCC4)C2)C1	REAL300029364787	0	56	0.0	-72.21	403.78	4.89	-67.32
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCCN(C(=O)C34CC[N@@H+](C3)CCC4)C2)C1	REAL300029364787	1	56	0.0	-77.17	405.38	4.87	-72.30
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029364813	0	52	0.0	-73.85	391.04	4.71	-69.14
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029364813	1	52	0.0	-72.04	392.19	4.89	-67.15
CC[NH+](CC)CC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029364848	0	54	0.0	-73.23	408.06	5.49	-67.74
CC1CC[NH+](CC(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029364909	0	58	0.0	-75.77	434.88	6.61	-69.16
C[NH+](C)CC1(C(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029364931	0	55	0.0	-77.29	420.30	5.70	-71.59
C[NH+]1CCC(C(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029364984	0	55	0.0	-71.30	415.98	5.71	-65.59
CC(C)[C@H](C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029365000	0	57	0.0	-74.04	412.37	5.55	-68.49
CCC(C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](CC)CC	REAL300029365028	0	60	0.0	-72.54	433.38	6.34	-66.20
CC[N@H+](C)CCC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365069	0	54	0.0	-77.40	412.40	5.41	-71.99
CC[N@@H+](C)CCC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365069	1	54	0.0	-77.45	412.40	5.41	-72.04
CC1CCC[N@@H+]1CC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365099	0	55	0.0	-71.91	418.36	5.81	-66.10
CC1CCC[N@H+]1CC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365099	1	55	0.0	-72.44	417.28	5.90	-66.54
CC1CC[N@H+](CC(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029365101	0	55	0.0	-74.26	417.94	5.85	-68.41
CC1CC[N@@H+](CC(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029365101	1	55	0.0	-74.38	418.34	5.77	-68.61
CC1(C)CC[N@H+](CC(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029365105	0	58	0.0	-74.70	438.14	6.40	-68.30
CC1(C)CC[N@@H+](CC(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029365105	1	58	0.0	-74.31	437.48	6.31	-68.00
C[N@H+](CC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC(C)(C)C	REAL300029365106	0	60	0.0	-75.21	440.22	6.55	-68.66
C[N@@H+](CC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC(C)(C)C	REAL300029365106	1	60	0.0	-75.02	441.87	6.69	-68.33
CC[C@@H](C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029365114	0	54	0.0	-70.91	396.42	4.93	-65.98
C[NH+](C)CC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365218	0	48	0.0	-75.42	372.30	4.14	-71.28
O=C(C[NH+]1CCCCCC1)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365222	0	58	0.0	-74.57	423.54	6.18	-68.39
CN1C=C[N+](CC(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300029365225	0	50	0.0	-72.56	403.29	7.64	-64.92
C[N@@H+]1CCCC(C(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029365230	0	55	0.0	-75.12	406.51	5.55	-69.57
C[N@H+]1CCCC(C(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029365230	1	55	0.0	-77.47	416.52	5.69	-71.78
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCCN(C(=O)C3CCC[N@@H+]3C3CC3)C2)C1	REAL300029365235	0	56	0.0	-70.40	426.20	6.45	-63.95
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCCN(C(=O)C3CCC[N@H+]3C3CC3)C2)C1	REAL300029365235	1	56	0.0	-69.48	424.16	6.35	-63.13
CC(C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCC1	REAL300029365251	1	52	0.0	-66.63	391.14	4.58	-62.05
CCC(CC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300029365255	0	60	0.0	-78.04	443.33	6.67	-71.37
C[NH+](C)CC(C)(C)C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365260	0	57	0.0	-70.12	409.50	5.22	-64.90
O=C(C[NH+]1CCC(O)CC1)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365275	1	56	0.0	-80.15	425.12	2.66	-77.49
C[N@H+](CC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029365276	0	52	0.0	-71.93	401.56	5.55	-66.38
C[N@@H+](CC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029365276	1	52	0.0	-72.64	401.76	5.46	-67.18
C[NH+]1CC(CC(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029365292	0	52	0.0	-76.80	403.42	4.92	-71.88
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365303	0	58	0.0	-72.62	411.61	5.17	-67.45
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365303	1	58	0.0	-72.34	414.49	5.05	-67.29
C[C@@H](C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029365314	0	51	0.0	-73.16	388.87	4.53	-68.63
[NH2+]=C1SC=CN1CC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365373	0	48	0.0	-70.69	399.44	4.32	-66.37
C[N@H+](CCO)CCC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365380	0	55	0.0	-77.08	422.74	2.17	-74.91
C[N@@H+](CCO)CCC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365380	1	55	0.0	-76.56	422.70	2.17	-74.39
C[C@@H](C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029365381	0	51	0.0	-73.16	388.87	4.53	-68.63
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365385	0	55	0.0	-72.51	401.73	5.25	-67.26
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365385	1	55	0.0	-71.33	412.09	5.69	-65.64
O=C(C[NH+]1CCC1)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365435	1	49	0.0	-75.40	382.92	4.61	-70.79
C[N@@H+]1CCC(=CC(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029365454	0	53	0.0	-78.80	409.56	5.74	-73.06
C[N@H+]1CCC(=CC(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029365454	1	53	0.0	-72.01	408.83	5.73	-66.28
C[NH+](C)CCOCC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365477	0	55	0.0	-74.98	428.22	5.19	-69.79
C=CCC(C)(C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029365491	0	58	0.0	-68.04	417.29	5.61	-62.43
C[S+](C)CCC(O)C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365495	0	54	0.0	-84.17	432.97	3.56	-80.61
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365514	0	56	0.0	-73.70	411.15	1.51	-72.19
CC1CN(CC(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029365533	0	52	0.0	-75.30	403.95	5.16	-70.14
CC1C[NH+](CC(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029365533	1	52	0.0	-75.30	403.95	5.16	-70.14
CN(CCO)CC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365551	0	52	0.0	-75.68	400.46	1.56	-74.12
C[N@H+](CCO)CC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365551	1	52	0.0	-75.68	400.25	1.56	-74.12
C[N@@H+](CCO)CC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365551	1	52	0.0	-75.68	400.25	1.56	-74.12
CC[N@@H+]1CCCC(C(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029365571	0	58	0.0	-72.48	426.15	6.47	-66.01
CC[N@H+]1CCCC(C(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029365571	1	58	0.0	-72.48	426.15	6.47	-66.01
CC(CC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300029365573	0	57	0.0	-77.58	429.48	6.19	-71.39
CC[N@H+](C)CC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365578	0	51	0.0	-74.83	389.82	4.80	-70.03
CC[N@H+](CC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029365611	0	55	0.0	-72.34	418.73	6.07	-66.27
CC[NH+](CC)CCC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365621	0	57	0.0	-76.88	425.90	5.83	-71.05
CC1(C)CN(CC(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029365639	0	55	0.0	-75.56	422.66	5.74	-69.82
CC1(C)C[NH+](CC(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029365639	1	55	0.0	-75.56	422.66	5.74	-69.82
CC1(O)CC[N@H+](CC(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029365657	0	56	0.0	-75.60	428.72	2.46	-73.14
C[NH+](C)CC=CC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365661	0	52	0.0	-80.67	407.19	5.38	-75.29
CC(OCC[NH+](C)C)C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365670	0	58	0.0	-76.24	444.40	5.71	-70.53
C[NH+](C)CCOCCC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365676	0	58	0.0	-76.52	449.11	4.98	-71.54
COCCN(C)CC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365677	0	55	0.0	-75.50	422.50	3.97	-71.53
COCC[N@H+](C)CC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365677	1	55	0.0	-75.91	422.71	3.97	-71.94
COCC[N@@H+](C)CC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365677	1	55	0.0	-75.91	422.71	3.97	-71.94
C[NH+](C)C1(C(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCCC1	REAL300029365697	0	58	0.0	-74.00	416.88	5.59	-68.41
CC(CCC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029365699	0	57	0.0	-81.10	425.94	5.91	-75.19
CCN1CCC1C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365705	0	52	0.0	-72.58	395.72	4.79	-67.79
CC[N@@H+]1CCC1C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365705	1	52	0.0	-72.39	395.64	4.71	-67.68
CC[N@H+]1CCC1C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365705	1	52	0.0	-72.39	395.64	4.71	-67.68
O=C(C[N@H+]1CCCC1CO)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365718	0	56	0.0	-71.82	418.43	2.69	-69.13
C[NH+]1CCC(C)(C(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029365740	0	58	0.0	-73.77	420.79	5.68	-68.09
C=CCC(C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029365759	0	55	0.0	-70.86	413.66	5.44	-65.42
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365766	0	58	0.0	-71.84	434.54	6.12	-65.72
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365766	1	58	0.0	-71.84	434.54	6.12	-65.72
C[NH+](C)CCCCCC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365768	0	60	0.0	-77.62	459.16	7.10	-70.52
CCCC(C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029365789	0	57	0.0	-73.90	424.43	5.95	-67.95
C[NH+](C)C(C)(C)C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365792	0	54	0.0	-77.26	392.11	4.66	-72.60
C[N@@H+]1CCCCC1C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365818	0	55	0.0	-71.66	412.16	5.67	-65.99
C[N@H+]1CC=C(CC(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029365842	0	56	0.0	-71.86	431.61	6.53	-65.33
C[N@@H+]1CC=C(CC(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029365842	1	56	0.0	-71.86	431.61	6.53	-65.33
O=C(C=CC[NH+]1CCCC1)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365882	0	56	0.0	-79.48	431.80	6.43	-73.05
C[NH+](C)C1(C(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029365913	0	52	0.0	-77.98	394.64	4.72	-73.26
O=C(CC[NH+]1CCCC1)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365915	0	55	0.0	-77.42	419.90	5.86	-71.56
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCCN(C(=O)C3C[NH+]4CCN3CC4)C2)C1	REAL300029365939	0	55	0.0	-81.18	405.09	2.22	-78.96
C[N@@H+]1CC2CC1(C(=O)N1CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029365944	0	53	0.0	-75.06	399.40	5.31	-69.75
C[N@H+]1CC2CC1(C(=O)N1CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029365944	1	53	0.0	-75.92	399.84	5.16	-70.76
O=C(C[N@@H+]1CC2CCC1C2)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365951	0	56	0.0	-73.08	418.96	6.25	-66.83
O=C(C[N@H+]1CC2CCC1C2)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365951	1	56	0.0	-72.21	416.69	5.97	-66.24
O=C(C[N@@H+]1CC2C=CC1C2)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365991	1	54	0.0	-73.34	411.91	6.11	-67.23
O=C(C[N@H+]1CC2C=CC1C2)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365991	1	54	0.0	-73.58	411.66	6.04	-67.54
CC(C[NH+](C)C)C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029366023	0	54	0.0	-77.77	409.81	5.25	-72.52
C[N@@H+]1CCCCC1CC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029366073	0	58	0.0	-79.03	431.47	6.38	-72.65
C[N@H+]1CCCCC1CC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029366073	1	58	0.0	-79.00	431.23	6.36	-72.64
CC(C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CC(C)C1	REAL300029366083	0	55	0.0	-72.65	421.55	5.56	-67.09
CC1CC[N@@H+]1CC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029366085	1	52	0.0	-74.04	403.42	5.22	-68.82
CC1CC[N@H+]1CC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029366085	1	52	0.0	-72.78	398.87	5.03	-67.75
C[NH+](C)CC(O)CC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029366088	0	55	0.0	-81.16	424.91	3.22	-77.94
CC1C[N@H+](C)CC(C(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029366108	1	56	0.0	-78.24	420.03	4.66	-73.58
CC1C[N@@H+](C)CC(C(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029366108	1	56	0.0	-90.43	419.13	4.60	-85.83
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029366155	0	55	0.0	-76.73	421.25	5.78	-70.95
CC(CC[NH+](C)C)C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029366161	0	57	0.0	-77.62	431.46	5.87	-71.75
C[NH+]1CCN(CC(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029366180	1	57	0.0	-75.05	431.61	3.56	-71.49
NC(=[NH2+])SCC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029366204	0	46	0.0	-78.48	380.28	1.09	-77.39
C[NH+](C)CCC1(C(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029366233	0	58	0.0	-80.49	443.31	6.49	-74.00
C[N@@H+]1CC=CCC1CC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029366234	0	56	0.0	-68.58	418.29	6.18	-62.40
C[N@H+]1CC=CCC1CC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029366234	1	56	0.0	-79.83	423.39	6.25	-73.58
C[C@@H](OCC[NH+](C)C)C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029366247	0	58	0.0	-71.57	444.50	5.74	-65.83
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029366338	0	52	0.0	-73.08	390.99	4.69	-68.39
O=C(CC[N@H+]1CCC(F)C1)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029366344	0	55	0.0	-81.70	427.22	5.93	-75.77
CC1C(C(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029366363	0	55	0.0	-74.92	409.74	5.11	-69.81
CC1C(C(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029366363	1	55	0.0	-74.92	409.74	5.11	-69.81
CN1CCOCC1CC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029366392	0	56	0.0	-71.15	415.49	3.77	-67.38
C[N@@H+]1CCOCC1CC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029366392	1	56	0.0	-81.75	422.92	4.01	-77.74
C[N@H+]1CCOCC1CC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029366392	1	56	0.0	-81.75	422.92	4.01	-77.74
C[N@@H+]1CCCC1C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029366563	0	52	0.0	-69.33	390.33	4.51	-64.82
C[N@H+]1CCCC1C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029366563	1	52	0.0	-69.33	390.33	4.51	-64.82
CN1CCOC(C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029366589	0	53	0.0	-75.46	396.75	4.13	-71.33
C[N@@H+]1CCOC(C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029366589	1	53	0.0	-78.78	406.52	4.38	-74.40
C[N@H+]1CCOC(C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029366589	1	53	0.0	-78.78	406.52	4.38	-74.40
O=C(CCN1CCOCC1)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029366742	0	56	0.0	-65.21	426.62	4.06	-61.15
O=C(CC[NH+]1CCOCC1)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029366742	1	56	0.0	-65.21	426.62	4.06	-61.15
O=C(C1=CC(=O)[N-]O1)N1CCCC(C2CN(C(=O)C34CCC[NH+]3CCC4)C2)C1	REAL300029366754	0	56	0.0	-76.83	405.86	5.57	-71.26
O=C(C1=CC2=CN=CN2C=C1)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029366760	0	50	0.0	-82.33	397.91	7.15	-75.18
O=C(C1=CC2=C[NH+]=CN2C=C1)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029366760	1	50	0.0	-82.33	397.91	7.15	-75.18
C[N@@H+]1CCC(CC(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029366791	0	55	0.0	-78.46	418.22	5.75	-72.71
C[N@H+]1CCC(CC(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029366791	1	55	0.0	-78.46	418.22	5.75	-72.71
CCC(C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029366799	0	54	0.0	-71.95	402.60	5.13	-66.82
C[NH+](C)CCCCC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029366837	0	57	0.0	-66.77	436.71	6.19	-60.58
CC(C)C(C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029366853	0	57	0.0	-74.26	418.85	5.94	-68.32
CCC[N@H+](C)CCC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029366854	0	57	0.0	-77.56	432.78	5.98	-71.58
CCC[N@@H+](C)CCC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029366854	1	57	0.0	-77.48	432.99	5.91	-71.57
CCC[N@H+](C)CC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029366858	0	54	0.0	-74.20	410.90	5.47	-68.73
CCC[N@@H+](C)CC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029366858	1	54	0.0	-69.41	410.61	5.45	-63.96
O=C(C1=CC(=O)[N-]O1)N1CCCC(C2CN(C(=O)C34CC[N@H+](C3)CCC4)C2)C1	REAL300029366873	0	56	0.0	-73.88	406.63	5.05	-68.83
O=C(C1=CC(=O)[N-]O1)N1CCCC(C2CN(C(=O)C34CC[N@@H+](C3)CCC4)C2)C1	REAL300029366873	1	56	0.0	-73.80	407.11	4.89	-68.91
CC1CC[NH+](CC(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029366906	0	58	0.0	-74.24	433.76	6.49	-67.75
C[NH+](C)CC1(C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029366947	0	55	0.0	-74.33	422.23	5.68	-68.65
CC[N@H+](C)CCC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029366966	0	54	0.0	-76.65	411.49	5.18	-71.47
CC[N@@H+](C)CCC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029366966	1	54	0.0	-76.79	411.50	5.18	-71.61
O=C(C1=CC(=O)[N-]O1)N1CCCC(C2CN(C(=O)C3C[NH+]4CCC3CC4)C2)C1	REAL300029366984	0	56	0.0	-73.29	410.86	5.69	-67.60
C[NH+]1CCC(C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029367033	0	55	0.0	-80.62	413.59	5.58	-75.04
CC(C)[C@H](C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029367049	0	57	0.0	-72.58	416.65	5.97	-66.61
CC[NH+](CC)CC(F)C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029367109	0	57	0.0	-78.94	428.56	5.60	-73.34
C[NH+](C)C1(C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCC1	REAL300029367130	0	55	0.0	-66.39	397.79	4.92	-61.47
CCC(C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](CC)CC	REAL300029367158	0	60	0.0	-67.25	435.39	6.26	-60.99
CC1CCC[N@@H+]1CC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029367169	0	55	0.0	-66.08	410.07	5.41	-60.67
CC1CCC[N@H+]1CC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029367169	1	55	0.0	-66.02	409.57	5.36	-60.66
CC(C)[N@@H+]1CCCC1C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029367215	0	58	0.0	-70.15	429.24	6.05	-64.10
CC(C)[N@H+]1CCCC1C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029367215	1	58	0.0	-72.99	422.48	6.51	-66.48
CC(C)[C@@H](C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029367224	0	57	0.0	-59.48	411.88	5.58	-53.90
CC1CC[N@H+](CC(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029367238	0	55	0.0	-59.51	417.39	5.85	-53.66
CC1CC[N@@H+](CC(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029367238	1	55	0.0	-59.71	416.72	5.78	-53.93
CC1(C)CC[N@H+](CC(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029367242	0	58	0.0	-73.53	437.01	6.37	-67.16
CC1(C)CC[N@@H+](CC(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029367242	1	58	0.0	-73.68	437.35	6.39	-67.29
C[N@H+](CC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC(C)(C)C	REAL300029367243	0	60	0.0	-73.87	439.17	6.43	-67.44
C[N@@H+](CC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC(C)(C)C	REAL300029367243	1	60	0.0	-68.82	441.17	6.53	-62.29
CC[C@@H](C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029367251	0	54	0.0	-72.64	404.20	5.09	-67.55
CC1=[NH+]C=CN1CC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029367372	1	50	0.0	-67.44	400.78	5.65	-61.79
CC[N@@H+]1CCOC(C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029367436	1	56	0.0	-76.60	424.23	5.10	-71.50
CC[N@H+]1CCOC(C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029367436	1	56	0.0	-69.85	416.89	4.82	-65.03
O=C(C1=CN2C=[NH+]C=C2C=C1)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029367466	0	50	0.0	-79.06	396.89	6.97	-72.09
CC1=C[NH+]=CN1CC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029367469	1	50	0.0	-69.41	401.14	6.38	-63.03
C[C@@H]1[C@H](C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029367476	0	55	0.0	-79.07	407.65	5.59	-73.48
C[C@@H]1[C@H](C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029367476	1	55	0.0	-78.84	413.21	5.35	-73.49
CC[C@@H]1[C@@H](C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029367478	0	58	0.0	-78.15	424.60	5.51	-72.64
CC[C@@H]1[C@@H](C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029367478	1	58	0.0	-71.85	431.13	5.90	-65.95
CC1CCC(C)[NH+]1CC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029367485	0	58	0.0	-65.15	428.32	5.97	-59.18
O=C(CCC[NH+]1CCCC1)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029367488	0	58	0.0	-64.31	439.58	6.45	-57.86
O=C(CC[NH+]1CCCCC1)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029367492	0	58	0.0	-62.29	435.35	6.47	-55.82
CC[N@@H+]1CCCCC1C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029367495	0	58	0.0	-65.95	430.50	6.20	-59.75
CC[N@H+]1CCCCC1C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029367495	1	58	0.0	-64.83	430.23	6.20	-58.63
C[N@H+](CC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300029367593	0	55	0.0	-71.77	417.73	6.03	-65.74
C[N@@H+](CC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300029367593	1	55	0.0	-67.41	417.62	6.04	-61.37
C[NH+]1CCC(C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029367624	0	55	0.0	-80.62	413.59	5.58	-75.04
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029367654	0	52	0.0	-72.46	390.61	4.52	-67.94
C[N@H+]1CCC[C@@H]1C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029367654	1	52	0.0	-66.80	392.48	4.89	-61.91
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029367672	1	54	0.0	-67.03	416.84	5.74	-61.29
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029367672	1	54	0.0	-72.76	422.84	6.24	-66.52
C[N@@H+]1CCCC1CCC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029367677	0	58	0.0	-73.15	438.55	6.51	-66.64
C[N@H+]1CCCC1CCC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029367677	1	58	0.0	-70.85	433.28	6.05	-64.80
C[N@@H+]1CCCCC1C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029367751	0	55	0.0	-71.76	399.94	5.18	-66.58
C[N@H+]1CCCCC1C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029367751	1	55	0.0	-72.69	401.20	5.16	-67.53
CC1C(C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029367809	0	55	0.0	-73.84	415.65	5.45	-68.39
CC1C(C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029367809	1	55	0.0	-76.32	408.06	5.49	-70.83
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029367865	0	58	0.0	-71.74	414.48	5.04	-66.70
CC(C)(C)[N@H+]1CCC1C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029367865	1	58	0.0	-66.35	432.95	5.82	-60.53
C[C@@H](C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029367879	0	51	0.0	-73.60	389.03	4.50	-69.10
C=CCC(C)(C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029367893	0	58	0.0	-75.12	419.91	5.74	-69.38
O=C(CC[NH+]1CCCC1)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029367910	0	55	0.0	-62.68	418.95	5.72	-56.96
C[N@H+](CCO)CC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029367919	1	52	0.0	-69.94	399.46	1.48	-68.46
C[N@@H+](CCO)CC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029367919	1	52	0.0	-74.62	399.77	1.47	-73.15
C[N@H+]1CC=C(CC(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029367977	0	56	0.0	-71.61	430.29	6.35	-65.26
C[N@@H+]1CC=C(CC(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029367977	1	56	0.0	-65.55	430.48	6.37	-59.18
C[S+](C)CCC(O)C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029367987	0	54	0.0	-80.08	434.18	3.46	-76.62
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368000	0	56	0.0	-77.74	411.79	1.91	-75.83
C[N@H+]1CC(O)CC1(C)C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368000	1	56	0.0	-76.77	411.93	1.95	-74.82
CC1C[NH+](CC(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029368030	1	52	0.0	-74.37	402.93	5.14	-69.23
CC[N@@H+]1CCCC(C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029368036	0	58	0.0	-67.72	425.32	6.30	-61.42
CC[N@H+]1CCCC(C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029368036	1	58	0.0	-75.68	424.18	6.14	-69.54
NC1=[NH+]C=CC=C1CC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368040	0	51	0.0	-68.04	405.61	3.85	-64.19
O=C(C1=CC(=O)[N-]O1)N1CCCC(C2CN(C(=O)C3CCC[N@@H+]3C3CC3)C2)C1	REAL300029368048	0	56	0.0	-64.88	426.08	6.34	-58.54
O=C(C1=CC(=O)[N-]O1)N1CCCC(C2CN(C(=O)C3CCC[N@H+]3C3CC3)C2)C1	REAL300029368048	1	56	0.0	-69.93	428.24	6.49	-63.44
O=C(C=CC[NH+]1CCCC1)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368078	0	56	0.0	-78.48	431.83	6.22	-72.26
CC[N@H+](C)CC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368123	0	51	0.0	-69.11	389.11	4.71	-64.40
O=C(CN1CC2C=CC1C2)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368158	0	54	0.0	-72.55	411.09	6.13	-66.42
O=C(C[N@@H+]1CC2C=CC1C2)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368158	1	54	0.0	-58.33	410.54	5.90	-52.43
O=C(C[N@H+]1CC2C=CC1C2)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368158	1	54	0.0	-58.33	410.54	5.90	-52.43
CC(OCC[NH+](C)C)C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368245	0	58	0.0	-76.59	443.43	5.62	-70.97
C[NH+](C)CCOCCC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368252	0	58	0.0	-64.73	448.17	4.84	-59.89
COCCN(C)CC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368254	0	55	0.0	-74.28	422.02	3.87	-70.41
COCC[N@H+](C)CC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368254	1	55	0.0	-69.94	421.71	3.88	-66.06
COCC[N@@H+](C)CC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368254	1	55	0.0	-69.94	421.71	3.88	-66.06
CC(CCC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029368257	0	57	0.0	-63.01	424.71	5.66	-57.35
CC[N@H+](CC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029368273	0	55	0.0	-58.07	417.68	6.05	-52.02
C[N@@H+]1CC2CC1(C(=O)N1CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029368300	0	53	0.0	-57.59	396.10	5.06	-52.53
O=C(C[N@@H+]1CC2CCC1C2)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368309	0	56	0.0	-71.21	415.83	5.88	-65.33
O=C(C[N@H+]1CC2CCC1C2)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368309	1	56	0.0	-71.21	415.83	5.88	-65.33
CC(C[NH+](C)C)C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368324	0	54	0.0	-68.68	406.60	5.13	-63.55
CC[N@@H+]1CCC1C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368361	0	52	0.0	-74.11	402.82	5.02	-69.09
CCC(C)(C)[NH2+]C(C)C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368372	0	60	0.0	-72.09	438.92	4.85	-67.24
CNC1=NC(C)=CC=C1C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368399	0	54	0.0	-69.74	420.86	4.78	-64.96
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368399	1	54	0.0	-69.74	420.86	4.78	-64.96
CCCC(C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029368408	0	57	0.0	-72.89	425.84	5.94	-66.95
C[NH+](C)C(C)(C)C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368413	0	54	0.0	-57.80	394.18	5.14	-52.66
CC(CC[NH+](C)C)C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368427	0	57	0.0	-76.69	432.46	5.75	-70.94
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368489	0	58	0.0	-68.47	430.27	5.62	-62.85
C[N@H+]1CC(C)(C)CC1C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368489	1	58	0.0	-68.47	430.27	5.62	-62.85
C[NH+](C)CCCCCC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368491	0	60	0.0	-67.69	458.21	6.97	-60.72
CN1CCN(CC(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029368498	0	57	0.0	-72.51	430.17	3.50	-69.01
C[NH+]1CCN(CC(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029368498	1	57	0.0	-72.51	430.17	3.50	-69.01
CC1CN(C)CC(C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029368551	0	56	0.0	-76.24	420.97	4.95	-71.29
CC1C[N@H+](C)CC(C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029368551	1	56	0.0	-64.82	420.60	5.17	-59.65
CC1C[N@@H+](C)CC(C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029368551	1	56	0.0	-64.82	420.60	5.17	-59.65
O=C(C[NH+]1CC2CC2C1)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368582	0	53	0.0	-68.91	406.84	5.92	-62.99
C[N@@H+]1CCCCC1C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368609	0	55	0.0	-72.69	401.20	5.16	-67.53
C[N@@H+]1CCC(=CC(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029368683	0	53	0.0	-79.56	410.38	5.67	-73.89
C[N@H+]1CCC(=CC(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029368683	1	53	0.0	-79.56	410.38	5.67	-73.89
O=C(CNC1=CC=[NH+]C=C1)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368686	0	51	0.0	-62.18	407.06	3.31	-58.87
C[NH+](C)C1(C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCCC1	REAL300029368749	0	58	0.0	-80.90	413.56	5.75	-75.15
C[N@@H+]1CCC[C@H]1C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368768	0	52	0.0	-60.55	390.22	4.59	-55.96
C[N@H+]1CCC[C@H]1C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368768	1	52	0.0	-60.55	390.22	4.59	-55.96
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029368863	0	55	0.0	-71.27	420.89	5.74	-65.53
C[NH+](C)CCC1(C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029368872	0	58	0.0	-71.46	442.14	6.33	-65.13
C[N@@H+]1CC=CCC1CC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368873	0	56	0.0	-78.16	421.95	6.08	-72.08
C[N@H+]1CC=CCC1CC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368873	1	56	0.0	-72.61	422.53	6.07	-66.54
C[NH+](C)CCOCC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368909	0	55	0.0	-65.16	427.24	5.07	-60.09
[NH2+]=C1SC=CN1CC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368937	0	48	0.0	-66.00	398.44	4.23	-61.77
C[C@@H](OCC[NH+](C)C)C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368979	0	58	0.0	-69.38	442.15	5.63	-63.75
C[N@@H+]1CCCC(C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029369009	0	55	0.0	-76.63	413.18	5.40	-71.23
C[N@H+]1CCCC(C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029369009	1	55	0.0	-76.63	413.18	5.40	-71.23
O=C(C[NH+]1CCCCCC1)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029369010	0	58	0.0	-73.34	422.37	6.01	-67.33
CN1C=C[N+](CC(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300029369014	0	50	0.0	-72.82	402.87	7.56	-65.26
O=C(CN1CCC(O)CC1)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029369037	0	56	0.0	-78.80	424.76	2.55	-76.25
O=C(C[NH+]1CCC(O)CC1)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029369037	1	56	0.0	-78.80	424.76	2.55	-76.25
C[N@H+](CC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029369039	0	52	0.0	-71.49	400.82	5.37	-66.12
O=C(CC[N@H+]1CCC(F)C1)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029369042	0	55	0.0	-72.92	425.79	5.83	-67.09
CC(CC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300029369063	0	57	0.0	-65.62	428.52	6.05	-59.57
CN1CCOCC1CC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029369082	0	56	0.0	-75.23	421.25	3.76	-71.47
C[N@@H+]1CCOCC1CC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029369082	1	56	0.0	-81.95	422.30	3.84	-78.11
C[N@H+]1CCOCC1CC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029369082	1	56	0.0	-81.95	422.30	3.84	-78.11
CC1=CC(N)=NC=C1C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029369122	0	51	0.0	-69.05	400.44	3.42	-65.63
CC1=CC(N)=[NH+]C=C1C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029369122	1	51	0.0	-69.05	400.44	3.42	-65.63
CC1(O)CC[N@H+](CC(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029369152	0	56	0.0	-69.56	427.68	2.43	-67.13
C[NH+]1CC(CC(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029369180	0	52	0.0	-64.85	402.64	4.86	-59.99
C[N@H+](CCO)CCC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029369210	0	55	0.0	-75.71	421.61	1.95	-73.76
C[N@@H+](CCO)CCC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029369210	1	55	0.0	-75.71	421.61	1.95	-73.76
C[N@@H+]1CCCCC1CC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029369228	0	58	0.0	-64.78	423.09	6.07	-58.71
C[N@H+]1CCCCC1CC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029369228	1	58	0.0	-64.78	423.09	6.07	-58.71
CC1CC[N@@H+]1CC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029369243	0	52	0.0	-59.67	402.69	5.14	-54.53
C[NH+](C)CC=CC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029369251	0	52	0.0	-75.62	408.26	5.34	-70.28
CC1(C)CN(CC(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029369257	0	55	0.0	-69.39	421.76	5.62	-63.77
CC1(C)C[NH+](CC(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029369257	1	55	0.0	-69.39	421.76	5.62	-63.77
C[NH+](C)CCSCC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029369279	0	55	0.0	-69.07	438.24	5.97	-63.10
O=C(C[N@H+]1CCCC1CO)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029369298	0	56	0.0	-68.04	424.07	2.60	-65.44
CC[NH+](CC)CC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029369302	0	54	0.0	-58.65	406.72	5.26	-53.39
O=C(CN1CCC1)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029369311	0	49	0.0	-75.00	382.06	4.61	-70.39
O=C(C[NH+]1CCC1)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029369311	1	49	0.0	-75.00	382.06	4.61	-70.39
CC[NH+](CC)CCC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029369342	0	57	0.0	-61.64	429.05	5.85	-55.79
CCC(CC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300029369406	0	60	0.0	-65.89	445.80	6.53	-59.36
C[NH+](C)CC(C)(C)C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029369412	0	57	0.0	-62.78	413.87	5.23	-57.55
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029369449	0	55	0.0	-66.31	413.35	5.61	-60.70
C[NH+](C)CC(O)CC(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029369473	0	55	0.0	-67.89	424.05	3.06	-64.83
C=CCC(C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029369495	0	55	0.0	-74.49	419.09	5.57	-68.92
C[NH+]1CCC(C)(C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029369508	0	58	0.0	-72.59	422.20	5.54	-67.05
C[NH+](C)CCSCC(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029369571	0	55	0.0	-82.18	439.19	6.17	-76.01
CC[N@H+](C)CC(=O)NCC1=CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=NO1	REAL300029369734	0	53	0.0	-70.29	416.77	3.55	-66.74
C[C@@H](C(=O)N1CCC(C2=NOC(CNC(=O)C3=CC(=O)[N-]O3)=C2)CC1)[NH+](C)C	REAL300029369922	0	53	0.0	-72.47	418.86	3.52	-68.95
CC[N@H+](C)CC(=O)N1CCC(C2=NOC(CNC(=O)C3=CC(=O)[N-]O3)=C2)CC1	REAL300029369943	0	53	0.0	-74.15	419.89	3.79	-70.36
CC[N@@H+](C)CC(=O)N1CCC(C2=NOC(CNC(=O)C3=CC(=O)[N-]O3)=C2)CC1	REAL300029369943	1	53	0.0	-74.16	419.90	3.79	-70.37
C[C@H](C(=O)N1CCC(C2=NOC(CNC(=O)C3=CC(=O)[N-]O3)=C2)CC1)[NH+](C)C	REAL300029369957	0	53	0.0	-71.87	418.15	3.44	-68.43
C[NH+](C)CC(=O)N1CCC(C2=NOC(CNC(=O)C3=CC(=O)[N-]O3)=C2)CC1	REAL300029370019	0	50	0.0	-74.73	402.16	3.12	-71.61
C[C@@H](C(=O)N1CCC(C2=NOC(CNC(=O)C3=CC(=O)[N-]O3)=C2)CC1)[NH+](C)C	REAL300029370022	0	53	0.0	-72.47	418.86	3.52	-68.95
O=C(C[NH+]1CCC1)N1CCC(C2=NOC(CNC(=O)C3=CC(=O)[N-]O3)=C2)CC1	REAL300029370029	1	51	0.0	-74.73	412.24	3.54	-71.19
C[N@@H+]1CCCC1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029370207	0	45	0.0	-72.58	348.73	1.95	-70.63
C[N@H+]1CCCC1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029370207	1	45	0.0	-73.61	348.39	1.94	-71.67
C[N@@H+]1CCOC(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029370231	1	46	0.0	-86.92	365.96	1.78	-85.14
C[N@H+]1CCOC(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029370231	1	46	0.0	-77.02	358.84	1.60	-75.42
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029370406	1	52	0.0	-68.69	414.23	4.57	-64.12
CC(C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300029370413	0	54	0.0	-69.60	397.79	3.75	-65.85
CC(C)[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029370415	0	54	0.0	-68.17	395.42	3.99	-64.18
CC(C)[N@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029370415	1	54	0.0	-67.53	401.29	3.82	-63.71
CC(C)[N@@H+]1CCCC1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029370441	0	51	0.0	-69.28	387.65	3.53	-65.75
CC(C)[N@H+]1CCCC1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029370441	1	51	0.0	-68.54	386.91	3.36	-65.18
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@@H+]2C1	REAL300029370465	0	52	0.0	-72.54	396.47	4.08	-68.46
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@H+]2C1	REAL300029370465	1	52	0.0	-72.60	396.40	3.98	-68.62
CC(C)C1=[NH+]C=CN1CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029370493	1	49	0.0	-68.94	394.51	4.16	-64.78
CC1=[NH+]C=CN1CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029370541	1	43	0.0	-69.82	358.16	3.04	-66.78
CC(C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029370543	0	52	0.0	-75.96	399.79	2.01	-73.95
O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029370563	0	54	0.0	-74.72	414.07	4.55	-70.17
CC(C)(C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029370587	0	54	0.0	-74.61	398.11	4.37	-70.24
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+]2CCC1CC2	REAL300029370603	0	49	0.0	-80.42	369.70	3.11	-77.31
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC2CCC[N@@H+]21	REAL300029370654	0	52	0.0	-70.17	384.81	3.84	-66.33
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC2CCC[N@H+]21	REAL300029370654	1	52	0.0	-70.19	385.53	3.97	-66.22
C[NH+](C)CCN1C=C(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300029370656	0	51	0.0	-81.23	412.88	2.80	-78.43
C[NH+](C)CCN1C=CC(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029370666	0	51	0.0	-87.22	413.42	2.92	-84.30
C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029370672	0	48	0.0	-78.74	365.16	2.39	-76.35
C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029370672	1	48	0.0	-76.23	370.64	3.02	-73.21
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029370675	1	52	0.0	-69.16	414.53	4.51	-64.65
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029370678	0	51	0.0	-76.07	386.51	3.11	-72.96
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029370678	1	51	0.0	-73.76	389.07	3.58	-70.18
CC[N@@H+]1CCOC(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029370701	1	49	0.0	-78.70	376.82	2.36	-76.34
CC[N@H+]1CCOC(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029370701	1	49	0.0	-76.42	376.84	2.33	-74.09
CC[NH+](CC)CC(F)C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029370754	0	50	0.0	-76.23	385.96	2.92	-73.31
C[NH+](C)CC1=C(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)SC=C1	REAL300029370755	0	48	0.0	-61.88	394.08	3.95	-57.93
CC1CCC(C)[NH+]1CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029370850	0	51	0.0	-70.91	385.94	3.41	-67.50
O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029370856	0	51	0.0	-74.22	397.66	3.78	-70.44
C[NH+](C)CC1=CC=CC(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029370857	0	51	0.0	-75.78	406.69	4.78	-71.00
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029370864	0	50	0.0	-79.41	397.82	4.12	-75.29
O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029370865	0	51	0.0	-74.84	392.56	3.73	-71.11
C[NH+](C)CC1=CC=CC=C1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029370869	0	51	0.0	-59.96	399.45	5.04	-54.92
CC[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029370876	0	51	0.0	-69.89	379.00	3.50	-66.39
CC[N@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029370876	1	51	0.0	-69.15	388.57	3.64	-65.51
CC(C)C(C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029370877	0	57	0.0	-69.99	420.63	5.33	-64.66
C[NH+](C)C(C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029370880	1	51	0.0	-70.81	403.27	4.80	-66.01
CC(C)C[N@@H+]1CCC(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029370900	0	54	0.0	-73.05	413.04	4.31	-68.74
CC(C)C[N@H+]1CCC(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029370900	1	54	0.0	-75.94	414.13	4.24	-71.70
C[NH+](C)C1(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300029370904	0	48	0.0	-79.83	364.16	3.12	-76.71
C[NH+](C)C(CN1C=CC=N1)C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029370905	1	51	0.0	-68.18	401.26	2.56	-65.62
CC(C)[N@@H+]1CCCC1CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029370910	0	54	0.0	-65.43	398.54	3.90	-61.53
CC(C)[N@H+]1CCCC1CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029370910	1	54	0.0	-72.74	407.41	3.91	-68.83
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@@H+]1C1CCCC1	REAL300029370911	0	55	0.0	-74.62	405.09	4.62	-70.00
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@H+]1C1CCCC1	REAL300029370911	1	55	0.0	-76.37	404.27	5.22	-71.15
CC(C)[C@@H](C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029370930	0	50	0.0	-72.26	376.94	3.61	-68.65
C[N@H+](CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029370986	0	48	0.0	-71.56	374.79	3.30	-68.26
C[N@@H+](CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029370986	1	48	0.0	-71.99	374.69	3.28	-68.71
CC(C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300029371061	0	54	0.0	-69.88	390.53	3.19	-66.69
CN(CCC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300029371125	0	50	0.0	-71.29	403.49	3.08	-68.21
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029371135	1	47	0.0	-71.94	375.19	3.21	-68.73
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029371135	1	47	0.0	-72.07	381.30	3.70	-68.37
C[N@@H+]1CCCC1CCC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029371143	0	51	0.0	-78.23	395.93	3.81	-74.42
C[N@H+]1CCCC1CCC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029371143	1	51	0.0	-73.01	390.78	3.43	-69.58
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[NH+](CCC1)C2	REAL300029371155	0	52	0.0	-73.67	386.15	3.62	-70.05
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC2CCCC[N@@H+]21	REAL300029371162	0	52	0.0	-68.69	396.08	4.21	-64.48
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC2CCCC[N@H+]21	REAL300029371162	1	52	0.0	-70.70	389.55	3.90	-66.80
CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029371170	0	55	0.0	-73.57	408.47	2.47	-71.10
O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029371189	0	54	0.0	-75.17	418.88	4.56	-70.61
C[N@H+](CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029371191	1	51	0.0	-79.01	405.20	4.88	-74.13
C[N@@H+](CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029371191	1	51	0.0	-79.00	405.53	5.01	-73.99
C[NH+]1CCC(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029371206	0	48	0.0	-79.32	373.14	2.98	-76.34
C[NH+](C)CC1=CC(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300029371260	1	47	0.0	-79.63	386.65	2.28	-77.35
CC1=C(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300029371261	0	46	0.0	-73.76	373.00	5.27	-68.49
C[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029371296	0	48	0.0	-70.90	361.28	2.84	-68.06
C[N@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029371296	1	48	0.0	-71.66	361.43	2.84	-68.82
CC(C)C[N@@H+]1CCCC1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029371323	0	54	0.0	-71.74	407.51	4.09	-67.65
CC(C)C[N@H+]1CCCC1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029371323	1	54	0.0	-70.90	413.40	4.63	-66.27
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN2C=[NH+]C=C2C=C1	REAL300029371453	0	43	0.0	-74.70	358.74	4.83	-69.87
CC1=[NH+]C=CN1CCCC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029371463	1	49	0.0	-71.38	399.54	4.21	-67.17
O=C(CCCC[NH+]1CCOCC1)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029371467	1	55	0.0	-78.46	427.03	3.00	-75.46
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300029371473	0	51	0.0	-83.98	406.74	4.81	-79.17
O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029371474	1	49	0.0	-78.40	384.04	1.43	-76.97
CCC[NH+](CCC)CCCC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029371496	0	59	0.0	-75.15	446.91	5.32	-69.83
CC1=C[NH+]=CN1CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029371514	1	43	0.0	-73.18	358.23	3.65	-69.53
O=C(CN1C=[NH+]C2=C1CCCC2)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029371521	1	50	0.0	-73.01	400.15	5.39	-67.62
C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCCC1	REAL300029371562	0	57	0.0	-80.54	413.23	5.07	-75.47
C[N@H+](CCC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300029371568	0	57	0.0	-76.77	427.23	4.99	-71.78
C[N@@H+](CCC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300029371568	1	57	0.0	-76.62	427.24	4.99	-71.63
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[NH+]1CCC2	REAL300029371570	0	49	0.0	-77.26	373.24	3.31	-73.95
C[NH+](C)C1CCCC(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029371607	0	54	0.0	-72.74	407.38	4.13	-68.61
C[N@@H+]1CCC(CC(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029371610	0	48	0.0	-75.55	375.47	2.91	-72.64
C[N@H+]1CCC(CC(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029371610	1	48	0.0	-75.63	375.71	2.91	-72.72
CN(C)C1=CC=[NH+]C=C1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029371622	0	47	0.0	-83.92	379.28	2.12	-81.80
CCC(C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029371627	0	47	0.0	-69.44	356.53	2.54	-66.90
C[NH+](C)C1(CC(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029371644	0	54	0.0	-78.31	392.40	3.73	-74.58
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC2=C[NH+]=CN2C=C1	REAL300029371699	1	43	0.0	-80.37	359.00	4.83	-75.54
C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029371768	0	50	0.0	-76.54	394.13	3.55	-72.99
CC(C)C(C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029371789	0	50	0.0	-71.42	377.68	3.47	-67.95
CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029371791	0	50	0.0	-76.35	390.42	3.35	-73.00
CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029371791	1	50	0.0	-76.36	390.42	3.36	-73.00
CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029371797	0	47	0.0	-74.03	368.05	2.83	-71.20
CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029371797	1	47	0.0	-74.01	368.05	2.83	-71.18
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@H+](C1)CCC2	REAL300029371824	0	49	0.0	-83.72	369.96	2.76	-80.96
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@@H+](C1)CCC2	REAL300029371824	1	49	0.0	-84.40	370.02	2.76	-81.64
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029371874	0	45	0.0	-72.16	348.40	1.96	-70.20
C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029371874	1	45	0.0	-70.28	353.82	2.48	-67.80
CC1CC2CCC(C(=O)N[C@H]3C[C@@H](F)CN(C(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300029371898	0	55	0.0	-71.57	416.45	4.66	-66.91
CC1CC2CCC(C(=O)N[C@H]3C[C@@H](F)CN(C(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300029371898	1	55	0.0	-65.85	410.83	4.85	-61.00
CCCCCC[N@H+](C)CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029371943	0	56	0.0	-75.30	432.29	5.07	-70.23
CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029371943	1	56	0.0	-75.27	432.55	5.16	-70.11
CC[NH+](CC)C(C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300029371950	0	56	0.0	-67.74	406.05	4.59	-63.15
CC[NH+](CC)CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029371959	0	47	0.0	-72.20	364.91	2.76	-69.44
CCC[N@@H+]1CCCC(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029371992	0	54	0.0	-73.22	412.29	4.35	-68.87
CCC[N@H+]1CCCC(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029371992	1	54	0.0	-73.45	412.27	4.34	-69.11
CC(C)[N@@H+]1CCOC(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029372013	1	52	0.0	-82.68	400.71	3.06	-79.62
CC(C)[N@H+]1CCOC(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029372013	1	52	0.0	-74.55	393.41	2.76	-71.79
CC1CC[NH+](CC(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029372049	0	51	0.0	-74.80	391.69	3.90	-70.90
C[NH+]1CCC(OCC(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029372083	0	52	0.0	-81.13	408.43	3.39	-77.74
C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029372098	0	48	0.0	-78.09	380.62	3.09	-75.00
CC1=[NH+]C=C2CCC(C(=O)N[C@H]3C[C@@H](F)CN(C(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300029372099	1	50	0.0	-68.77	396.21	4.05	-64.72
CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029372189	0	54	0.0	-75.94	404.08	4.01	-71.93
C[NH+]1CCC(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029372213	0	48	0.0	-79.32	373.14	2.98	-76.34
CC(C)[C@H](C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029372234	0	50	0.0	-71.48	377.72	3.47	-68.01
CCC(C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029372268	0	53	0.0	-66.93	393.80	3.61	-63.32
CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029372342	0	47	0.0	-75.51	368.67	2.52	-72.99
CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029372342	1	47	0.0	-75.54	368.66	2.53	-73.01
CC1CCC[N@@H+]1CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029372409	0	48	0.0	-70.32	367.28	2.69	-67.63
CC1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029372409	1	48	0.0	-70.29	367.25	2.68	-67.61
CC1CC[N@H+](CC(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029372411	0	48	0.0	-73.14	373.82	2.99	-70.15
CC1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029372411	1	48	0.0	-73.43	374.60	3.18	-70.25
CC1=[NH+]C=C2CC(C(=O)N[C@H]3C[C@@H](F)CN(C(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300029372413	1	50	0.0	-73.19	397.80	4.07	-69.12
CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029372416	0	51	0.0	-73.29	393.77	3.66	-69.63
CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029372416	1	51	0.0	-73.67	394.20	3.65	-70.02
C[N@H+](CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029372417	0	53	0.0	-74.16	396.04	3.78	-70.38
C[N@@H+](CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029372417	1	53	0.0	-73.86	398.80	3.84	-70.02
CC[C@@H](C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029372428	0	47	0.0	-70.32	359.35	2.42	-67.90
CC(COCC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300029372436	0	55	0.0	-72.19	427.22	4.06	-68.13
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[NH+](CC2CC2)CC1	REAL300029372514	0	55	0.0	-78.12	419.78	4.99	-73.13
C[NH+]1CCC(O)(CC(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029372650	0	52	0.0	-75.22	399.44	1.77	-73.45
COCC[N@@H+]1CCCC1CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029372657	0	55	0.0	-75.27	417.76	2.63	-72.64
COCC[N@H+]1CCCC1CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029372657	1	55	0.0	-72.14	427.70	2.83	-69.31
C[NH+](C)CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029372665	0	41	0.0	-74.29	328.83	1.41	-72.88
O=C(C[NH+]1CCC(CO)CC1)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029372670	1	52	0.0	-75.50	401.97	0.51	-74.99
O=C(C[NH+]1CCCCCC1)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029372674	0	51	0.0	-73.05	379.85	3.47	-69.58
CN1C=C[N+](CC(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029372679	0	43	0.0	-71.70	360.06	4.92	-66.78
C[N@@H+]1CCCC(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029372688	0	48	0.0	-74.28	373.11	2.93	-71.35
C[N@H+]1CCCC(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029372688	1	48	0.0	-74.60	373.07	2.90	-71.70
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@@H+]1C1CC1	REAL300029372693	0	49	0.0	-68.97	385.98	3.83	-65.14
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@H+]1C1CC1	REAL300029372693	1	49	0.0	-72.74	375.98	3.16	-69.58
CC(C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029372725	1	45	0.0	-71.89	359.04	2.37	-69.52
CCC(CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029372734	0	53	0.0	-75.73	399.68	3.87	-71.86
C[NH+](C)CC(C)(C)C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029372742	0	50	0.0	-73.87	378.79	3.07	-70.80
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC(C1)C[N@@H+]2C1CC1	REAL300029372762	0	50	0.0	-73.85	385.48	3.94	-69.91
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC(C1)C[N@H+]2C1CC1	REAL300029372762	1	50	0.0	-76.21	382.40	4.32	-71.89
O=C(C[NH+]1CCC(O)CC1)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029372778	1	49	0.0	-79.29	381.40	-0.15	-79.44
C[N@H+](CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029372779	0	45	0.0	-70.63	358.03	2.83	-67.80
C[N@@H+](CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029372779	1	45	0.0	-71.56	358.00	2.72	-68.84
CC(C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300029372780	1	53	0.0	-72.42	399.49	1.13	-71.29
C[NH+]1CC(CC(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029372804	0	45	0.0	-74.78	360.00	2.13	-72.65
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+]1C1CCCC1	REAL300029372808	0	52	0.0	-73.11	397.29	4.08	-69.03
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+]1C1CCCC1	REAL300029372808	1	52	0.0	-73.33	397.20	4.11	-69.22
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029372816	0	51	0.0	-70.71	389.61	2.99	-67.72
CC(C)(C)[N@H+]1CCC1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029372816	1	51	0.0	-71.46	371.90	2.64	-68.82
C[C@@H](C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029372828	0	44	0.0	-72.03	346.01	1.73	-70.30
CCC1CCC[N@H+](CC(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029372875	0	54	0.0	-74.56	409.80	4.53	-70.03
CCC1CCC[N@@H+](CC(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029372875	1	54	0.0	-74.42	409.55	4.44	-69.98
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029372883	0	49	0.0	-86.73	395.66	2.57	-84.16
C[NH+]1C2CCC1CC(CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029372896	0	55	0.0	-76.18	394.40	3.85	-72.33
[NH2+]=C1SC=CN1CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029372939	0	41	0.0	-70.04	355.56	1.49	-68.55
C[N@H+](CCO)CCC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029372951	0	48	0.0	-75.06	379.02	-0.71	-75.77
C[N@@H+](CCO)CCC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029372951	1	48	0.0	-74.60	379.17	-0.58	-75.18
C[C@@H](C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029372952	0	44	0.0	-72.03	346.01	1.73	-70.30
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029372956	0	48	0.0	-70.85	361.25	2.85	-68.00
C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029372956	1	48	0.0	-70.32	371.25	2.98	-67.34
CC1CN2CC[N@@H+]1CC2C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029372966	0	51	0.0	-80.96	379.68	0.20	-80.76
CC1CN2CC[N@H+]1CC2C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029372966	1	51	0.0	-81.94	379.64	0.16	-81.78
COC1C[N@@H+]2CCCC2(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029373007	0	53	0.0	-78.18	406.60	2.29	-75.89
COC1C[N@H+]2CCCC2(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029373007	1	53	0.0	-77.30	407.48	2.31	-74.99
O=C(CC1=CC2=C[NH+]=CN2C=C1)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373021	0	46	0.0	-71.48	382.88	5.48	-66.00
C[N@H+](CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029373048	0	49	0.0	-78.73	388.26	3.65	-75.08
C[N@@H+](CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029373048	1	49	0.0	-80.58	387.94	3.54	-77.04
O=C(C[NH+]1CCC1)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373049	1	42	0.0	-74.07	338.79	1.83	-72.24
C[NH+](C)CC1=CC(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC=N1	REAL300029373084	1	50	0.0	-73.36	402.68	3.31	-70.05
C[N@@H+]1CCC(=CC(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029373086	0	46	0.0	-76.94	366.70	2.98	-73.96
C[N@H+]1CCC(=CC(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029373086	1	46	0.0	-76.84	367.62	2.95	-73.89
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+](C2CCCCC2)C1	REAL300029373112	0	55	0.0	-77.72	420.60	4.65	-73.07
C[NH+](C)CCOCC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373127	0	48	0.0	-72.96	384.70	2.46	-70.50
CCCCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373133	0	56	0.0	-77.28	433.42	4.91	-72.37
CCCCC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373133	1	56	0.0	-77.24	433.16	4.84	-72.40
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029373143	0	52	0.0	-75.02	405.68	3.51	-71.51
C=CCC(C)(C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029373152	0	51	0.0	-76.77	380.64	3.22	-73.55
C[S+](C)CCC(O)C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373157	0	47	0.0	-81.83	393.41	0.99	-80.84
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373187	0	49	0.0	-82.75	376.06	-0.26	-83.01
CN1CC[N@H+](C)CC(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029373201	0	53	0.0	-71.04	398.61	1.48	-69.56
CN1CC[N@@H+](C)CC(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029373201	1	53	0.0	-71.04	398.61	1.48	-69.56
CC(C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300029373202	0	52	0.0	-72.11	397.88	0.50	-71.61
O=C(CN1CCC(CO)CC1)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373216	0	52	0.0	-75.50	401.97	0.51	-74.99
O=C(C[NH+]1CCC(CO)CC1)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373216	1	52	0.0	-75.50	401.97	0.51	-74.99
C[N@@H+]1CCCC(O)(CC(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029373226	0	52	0.0	-66.46	398.73	1.59	-64.87
C[N@H+]1CCCC(O)(CC(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029373226	1	52	0.0	-66.46	398.73	1.59	-64.87
CC1CN(CC(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029373230	0	45	0.0	-74.88	358.91	2.57	-72.31
CC1C[NH+](CC(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029373230	1	45	0.0	-74.88	358.91	2.57	-72.31
CN(CCO)CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373259	0	45	0.0	-74.92	356.91	-1.16	-76.08
C[N@H+](CCO)CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373259	1	45	0.0	-74.36	356.38	-1.29	-75.65
C[N@@H+](CCO)CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373259	1	45	0.0	-74.36	356.38	-1.29	-75.65
C[NH+]1C2CCC1CC(=CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029373281	0	53	0.0	-71.81	402.12	4.42	-67.39
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[N@@H+]2CCN1CCC2	REAL300029373286	0	51	0.0	-81.70	376.67	0.63	-81.07
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[N@H+]2CCN1CCC2	REAL300029373286	1	51	0.0	-81.70	376.67	0.63	-81.07
CC[N@@H+]1CCCC(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029373293	0	51	0.0	-72.78	390.78	3.60	-69.18
CC[N@H+]1CCCC(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029373293	1	51	0.0	-72.78	390.78	3.60	-69.18
CC(CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029373295	0	50	0.0	-75.57	385.76	3.31	-72.26
CC[N@H+](C)CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373311	0	44	0.0	-73.72	346.29	1.99	-71.73
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@@H+]1CCCC2	REAL300029373339	0	52	0.0	-73.86	379.30	4.14	-69.72
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@H+]1CCCC2	REAL300029373339	1	52	0.0	-73.86	379.30	4.14	-69.72
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@@H+]1CC=CC2	REAL300029373348	0	50	0.0	-67.78	376.29	3.68	-64.10
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@H+]1CC=CC2	REAL300029373348	1	50	0.0	-67.78	376.29	3.68	-64.10
CC[N@H+](CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029373372	0	48	0.0	-70.06	373.58	3.16	-66.90
CC[NH+](CC)CCC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373396	0	50	0.0	-74.76	386.65	3.33	-71.43
CC1(C)CN(CC(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029373426	0	48	0.0	-74.44	379.16	2.93	-71.51
CC1(C)C[NH+](CC(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029373426	1	48	0.0	-74.44	379.16	2.93	-71.51
O=C(CCCC[NH+]1CCCCC1)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373432	0	57	0.0	-75.18	435.11	5.30	-69.88
CC1(O)CC[N@H+](CC(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029373463	0	49	0.0	-74.84	385.12	-0.27	-75.11
C[NH+](C)CC=CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373473	0	45	0.0	-78.56	365.81	2.58	-75.98
CC(OCC[NH+](C)C)C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373497	0	51	0.0	-73.91	403.23	3.09	-70.82
C[NH+](C)CCOCCC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373508	0	51	0.0	-74.77	405.65	2.20	-72.57
COCCN(C)CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373509	0	48	0.0	-74.07	378.64	1.11	-72.96
COCC[N@H+](C)CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373509	1	48	0.0	-75.28	379.16	1.25	-74.03
COCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373509	1	48	0.0	-75.28	379.16	1.25	-74.03
C[NH+](C)C1(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029373561	0	51	0.0	-81.05	381.32	3.35	-77.70
CC(CCC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029373564	0	50	0.0	-73.37	386.22	3.15	-70.22
CCN1CCC1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373574	0	45	0.0	-72.53	351.94	1.94	-70.59
CC[N@@H+]1CCC1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373574	1	45	0.0	-73.41	360.22	2.28	-71.13
CC[N@H+]1CCC1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373574	1	45	0.0	-73.41	360.22	2.28	-71.13
CC(C)[N@@H+]1CCCC(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029373585	0	54	0.0	-66.13	401.14	4.31	-61.82
CC(C)[N@H+]1CCCC(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029373585	1	54	0.0	-66.13	401.14	4.31	-61.82
O=C(C[N@H+]1CCCC1CO)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373599	0	49	0.0	-69.96	374.31	-0.15	-70.11
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@@H+]2C1	REAL300029373625	0	52	0.0	-72.60	396.40	3.98	-68.62
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@H+]2C1	REAL300029373625	1	52	0.0	-72.60	396.40	3.98	-68.62
C[NH+]1CCC(C)(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029373632	0	51	0.0	-71.06	386.07	3.48	-67.58
C=CCC(C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029373669	0	48	0.0	-72.42	375.08	3.09	-69.33
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373687	0	51	0.0	-73.48	389.05	2.93	-70.55
C[NH+](C)CCCCCC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373691	0	53	0.0	-75.61	415.63	4.33	-71.28
CC1C[N@@H+]2CCN1C(C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029373735	0	51	0.0	-80.89	381.81	0.43	-80.46
CCCC(C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029373736	0	50	0.0	-71.49	380.56	3.18	-68.31
C[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373741	0	47	0.0	-79.40	355.35	2.67	-76.73
C[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373788	0	48	0.0	-71.66	361.43	2.84	-68.82
C[N@H+]1CC=C(CC(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029373836	0	49	0.0	-69.06	387.70	3.62	-65.44
C[N@@H+]1CC=C(CC(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029373836	1	49	0.0	-69.06	387.70	3.62	-65.44
O=C(CC1([NH+]2CCCC2)CC1)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373845	0	52	0.0	-71.03	393.89	4.14	-66.89
C[N@@H+]1CCCC(C(C)(C)C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029373897	0	57	0.0	-75.49	418.56	4.44	-71.05
C[N@H+]1CCCC(C(C)(C)C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029373897	1	57	0.0	-75.49	418.56	4.44	-71.05
CN(C)CC1=CC=C(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029373902	0	48	0.0	-82.15	392.06	3.03	-79.12
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029373902	1	48	0.0	-82.15	392.06	3.03	-79.12
O=C(C=CC[NH+]1CCCC1)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373923	0	49	0.0	-77.38	391.07	3.84	-73.54
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[NH+](C2CC2)CC1	REAL300029373948	0	52	0.0	-76.31	402.45	4.38	-71.93
O=C(CC[NH+]1CCCC1)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373972	0	48	0.0	-75.08	377.10	3.14	-71.94
C[N@@H+]1CC2CC1(C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029374026	0	46	0.0	-76.47	361.43	2.26	-74.21
O=C(C[N@@H+]1CC2CCC1C2)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374040	0	49	0.0	-72.25	375.12	3.42	-68.83
O=C(C[N@H+]1CC2CCC1C2)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374040	1	49	0.0	-72.25	375.12	3.42	-68.83
CC(C)[NH+]1CCC(CC(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029374051	0	57	0.0	-71.30	422.67	4.73	-66.57
O=C(C=C1C[NH+]2CCC1CC2)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374099	0	50	0.0	-67.43	384.72	3.71	-63.72
O=C(CN1CC2C=CC1C2)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374110	0	47	0.0	-72.36	368.16	3.31	-69.05
O=C(C[N@@H+]1CC2C=CC1C2)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374110	1	47	0.0	-70.12	367.39	3.18	-66.94
O=C(C[N@H+]1CC2C=CC1C2)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374110	1	47	0.0	-70.12	367.39	3.18	-66.94
CC(C[NH+](C)C)C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374172	0	47	0.0	-75.16	366.88	2.57	-72.59
C[N@@H+]1CCCCC1CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374264	0	51	0.0	-77.68	387.66	3.48	-74.20
C[N@H+]1CCCCC1CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374264	1	51	0.0	-77.68	387.66	3.48	-74.20
CC1=C2C=C(C(=O)N[C@H]3C[C@@H](F)CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=N1	REAL300029374285	0	46	0.0	-78.68	380.93	5.39	-73.29
CC1=C2C=C(C(=O)N[C@H]3C[C@@H](F)CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029374285	1	46	0.0	-78.68	380.93	5.39	-73.29
CC(C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)N1CC(C)C1	REAL300029374286	0	48	0.0	-71.01	375.97	3.03	-67.98
CC(C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300029374286	1	48	0.0	-71.01	375.97	3.03	-67.98
CC1CCN1CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374290	0	45	0.0	-71.40	354.95	2.19	-69.21
CC1CC[N@@H+]1CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374290	1	45	0.0	-72.98	359.87	2.40	-70.58
CC1CC[N@H+]1CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374290	1	45	0.0	-72.98	359.87	2.40	-70.58
C[NH+](C)CC(O)CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374295	0	48	0.0	-79.11	381.53	0.39	-78.72
CC1CN(C)CC(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029374328	0	49	0.0	-88.46	387.08	2.49	-85.97
CC1C[N@H+](C)CC(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029374328	1	49	0.0	-86.03	380.62	2.57	-83.46
CC1C[N@@H+](C)CC(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029374328	1	49	0.0	-86.03	380.62	2.57	-83.46
O=C(CC[NH+]1CCC(O)CC1)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374339	0	52	0.0	-78.62	403.18	0.37	-78.25
CCC[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374342	0	54	0.0	-71.12	400.21	4.12	-67.00
CCC[N@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374342	1	54	0.0	-71.12	400.21	4.12	-67.00
CC[NH+]1CCN(CCC(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029374347	0	56	0.0	-76.48	427.37	2.07	-74.41
CCN1CC[NH+](CCC(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029374347	1	56	0.0	-76.48	427.37	2.07	-74.41
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300029374350	0	55	0.0	-65.35	403.28	4.79	-60.56
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300029374350	1	55	0.0	-65.35	403.28	4.79	-60.56
CC(C)C[NH+]1CCC(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029374393	0	57	0.0	-78.28	429.93	5.12	-73.16
C[NH+](C)C1CCN(CC(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029374418	0	56	0.0	-73.62	422.55	2.14	-71.48
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029374438	0	48	0.0	-74.00	378.12	3.03	-70.97
CC(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374446	0	50	0.0	-74.78	388.63	3.21	-71.57
C[N@H+](CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029374475	0	52	0.0	-72.31	399.74	0.61	-71.70
C#CCN1CCCCC1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374484	0	50	0.0	-70.88	396.21	4.20	-66.68
C#CC[N@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374484	1	50	0.0	-71.55	396.26	4.15	-67.40
C#CC[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374484	1	50	0.0	-71.55	396.26	4.15	-67.40
CN1CCN(CC(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029374489	0	50	0.0	-73.58	387.57	0.83	-72.75
C[NH+]1CCN(CC(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029374489	1	50	0.0	-73.58	387.57	0.83	-72.75
NC(=[NH2+])SCC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374530	0	39	0.0	-76.78	336.48	-1.76	-78.54
CC[N@H+]1CCOCC1CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374576	1	52	0.0	-75.15	392.24	1.60	-73.55
C[NH+](C)CCC1(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029374595	0	57	0.0	-80.43	429.69	4.90	-75.53
CC1CCCC(C)[NH+]1CCC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374597	0	57	0.0	-72.56	418.78	4.38	-68.18
C[NH+](C)C1CCC(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029374600	0	54	0.0	-67.40	400.85	4.01	-63.39
C[NH+](C)CCC1(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029374601	0	51	0.0	-79.19	403.61	3.93	-75.26
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029374603	0	54	0.0	-67.19	401.11	4.10	-63.09
C[N@@H+]1CC=CCC1CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374604	0	49	0.0	-77.63	380.17	3.46	-74.17
C[N@H+]1CC=CCC1CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374604	1	49	0.0	-65.89	374.74	3.30	-62.59
C[C@@H](OCC[NH+](C)C)C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374631	0	51	0.0	-70.27	404.21	3.06	-67.21
C[NH+]1C2CCC1CC(C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029374665	0	52	0.0	-73.49	363.89	3.35	-70.14
CC(C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300029374803	1	49	0.0	-74.94	382.99	3.21	-71.73
CCC1C[NH+](CC(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029374805	1	48	0.0	-75.07	381.40	3.28	-71.79
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+](C2CCOCC2)C1	REAL300029374807	0	53	0.0	-79.71	412.02	2.36	-77.35
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1([NH+]2CCCC2)CCC1	REAL300029374809	0	52	0.0	-76.13	388.78	3.99	-72.14
C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374819	0	45	0.0	-70.55	354.63	2.45	-68.10
C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374819	1	45	0.0	-73.64	348.48	1.94	-71.70
O=C(CC[N@H+]1CCC(F)C1)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374828	0	48	0.0	-78.66	382.68	3.11	-75.55
O=C(CC[N@@H+]1CCC(F)C1)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374828	1	48	0.0	-79.78	382.59	3.07	-76.71
COC1C[N@H+](C)C(C)(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029374836	0	52	0.0	-81.37	398.25	1.77	-79.60
COC1C[N@@H+](C)C(C)(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029374836	1	52	0.0	-77.18	398.05	2.03	-75.15
O=C(CC[NH+]1CCCCCC1)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374849	0	54	0.0	-75.64	403.05	4.31	-71.33
O=C(C[NH+]1CCCCC1)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374851	0	48	0.0	-73.90	370.50	3.29	-70.61
CC1C(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029374861	0	48	0.0	-78.88	365.47	2.39	-76.49
CC1C(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029374861	1	48	0.0	-72.25	369.73	2.52	-69.73
C[N@@H+]1CCCCC1CCC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374863	0	54	0.0	-72.38	409.62	4.21	-68.17
C[N@H+]1CCCCC1CCC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374863	1	54	0.0	-78.53	402.50	4.04	-74.49
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+]2CCOCC12	REAL300029374897	0	50	0.0	-70.45	383.89	1.70	-68.75
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+]2CCOCC12	REAL300029374897	1	50	0.0	-79.31	387.43	1.60	-77.71
CC1=[NH+]C=C2C=CC(C(=O)N[C@H]3C[C@@H](F)CN(C(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300029374902	0	46	0.0	-71.45	380.18	4.61	-66.84
C[N@@H+]1CCOCC1CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374921	1	49	0.0	-81.08	378.49	1.13	-79.95
C[N@H+]1CCOCC1CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374921	1	49	0.0	-81.55	378.38	1.14	-80.41
CC1=C(C)[NH+]=C(CCC(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029374930	1	49	0.0	-69.46	399.00	2.70	-66.76
CC(C)C[N@@H+]1CCCC(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029374944	0	57	0.0	-72.67	429.57	5.03	-67.64
CC(C)C[N@H+]1CCCC(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029374944	1	57	0.0	-73.83	429.81	5.03	-68.80
C[N@@H+]1CCCC1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029375112	0	45	0.0	-70.06	351.43	2.29	-67.77
C[N@H+]1CCCC1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029375112	1	45	0.0	-72.39	350.21	2.09	-70.30
C[N@@H+]1CCOC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029375138	1	46	0.0	-81.82	365.51	1.82	-80.00
C[N@H+]1CCOC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029375138	1	46	0.0	-76.08	358.01	1.63	-74.45
CC1=[NH+]C=CN1CCCC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029375302	1	49	0.0	-70.48	402.59	4.51	-65.97
O=C(CCCC[NH+]1CCOCC1)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029375306	1	55	0.0	-77.35	429.97	3.18	-74.17
C[NH+](C)CC1=CC=C(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300029375312	0	51	0.0	-66.12	409.65	4.73	-61.39
O=C(CC[NH+]1CCOCC1)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029375313	1	49	0.0	-78.23	386.95	1.60	-76.63
CCC[NH+](CCC)CCCC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029375335	0	59	0.0	-74.18	453.94	5.83	-68.35
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C23CCC[NH+]2CCC3)C1)C1=CC(=O)[N-]O1	REAL300029375350	0	49	0.0	-67.75	369.43	2.88	-64.87
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1)C1=CC(=O)[N-]O1	REAL300029375366	1	43	0.0	-78.87	366.55	4.96	-73.91
C[NH+](C)C1CCCC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029375435	0	54	0.0	-67.85	409.16	4.19	-63.66
C[N@@H+]1CCC(CC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029375438	0	48	0.0	-74.86	378.56	3.18	-71.68
C[N@H+]1CCC(CC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029375438	1	48	0.0	-75.00	377.60	3.20	-71.80
CN(C)C1=CC=[NH+]C=C1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029375450	0	47	0.0	-81.12	384.53	1.27	-79.85
CCC(C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029375455	0	47	0.0	-69.47	356.31	2.35	-67.12
CC1CC2CCC(C(=O)N3C[C@H](F)C[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300029375508	0	55	0.0	-73.32	410.85	4.69	-68.63
CC1CC2CCC(C(=O)N3C[C@H](F)C[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300029375508	1	55	0.0	-66.28	418.09	4.75	-61.53
C[NH+](C)CCCCC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029375535	0	50	0.0	-75.18	397.04	3.73	-71.45
CC(C)C(C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029375558	0	50	0.0	-70.68	375.01	3.25	-67.43
CCC[N@H+](C)CCC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029375560	0	50	0.0	-76.11	393.30	3.57	-72.54
CCC[N@@H+](C)CCC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029375560	1	50	0.0	-76.01	393.27	3.55	-72.46
CCC[N@H+](C)CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029375566	0	47	0.0	-73.92	370.89	2.97	-70.95
CCC[N@@H+](C)CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029375566	1	47	0.0	-73.98	370.90	2.96	-71.02
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C23CC[N@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300029375593	0	49	0.0	-68.64	364.67	2.42	-66.22
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C23CC[N@@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300029375593	1	49	0.0	-68.54	365.51	2.42	-66.12
CCCCCC[N@H+](C)CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029375636	0	56	0.0	-75.27	435.37	5.31	-69.96
CCCCCC[N@@H+](C)CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029375636	1	56	0.0	-75.30	435.47	5.30	-70.00
CC[NH+](CC)C(C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300029375643	0	56	0.0	-64.91	406.47	4.19	-60.72
CC1CC[NH+](CC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029375681	0	51	0.0	-74.48	394.28	4.03	-70.45
C[NH+]1CCC(OCC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029375715	0	52	0.0	-80.71	411.59	3.72	-76.99
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029375778	0	52	0.0	-71.64	395.63	4.08	-67.56
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029375778	1	52	0.0	-69.92	395.18	4.16	-65.76
C[NH+](C)CC1(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029375790	0	48	0.0	-75.47	379.01	3.06	-72.41
CC1=[NH+]C=C2CCC(C(=O)N3C[C@H](F)C[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300029375791	1	50	0.0	-67.98	399.74	4.17	-63.81
CC(C)[NH+]1CCC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029375803	0	54	0.0	-70.53	409.92	4.30	-66.23
CC[N@H+](C)CCC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029375832	0	47	0.0	-75.36	371.77	2.82	-72.54
CC[N@@H+](C)CCC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029375832	1	47	0.0	-75.22	371.74	2.82	-72.40
CC(C)(C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029375863	0	54	0.0	-66.66	393.38	3.91	-62.75
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2C[NH+]3CCC2CC3)C1)C1=CC(=O)[N-]O1	REAL300029375879	0	49	0.0	-80.19	369.12	3.06	-77.13
C[NH+]1CCC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029375964	0	48	0.0	-73.12	375.57	3.12	-70.00
CC(C)[C@H](C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029375985	0	50	0.0	-70.07	373.01	3.13	-66.94
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2CC[NH+](CC3CC3)CC2)C1)C1=CC(=O)[N-]O1	REAL300029376062	0	55	0.0	-77.25	425.28	5.33	-71.92
CC[NH+](CC)CC(F)C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029376103	0	50	0.0	-74.92	393.63	3.51	-71.41
C[NH+](C)CC1=C(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)SC=C1	REAL300029376104	0	48	0.0	-64.08	398.89	3.77	-60.31
CC(C)C[N@@H+]1CCC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029376143	0	54	0.0	-74.02	413.01	4.36	-69.66
CC(C)C[N@H+]1CCC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029376143	1	54	0.0	-73.93	412.67	4.34	-69.59
C[NH+](C)C1(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300029376147	0	48	0.0	-71.32	356.01	2.43	-68.89
CCC(C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029376181	0	53	0.0	-66.10	391.87	3.69	-62.41
CC1CCC[N@@H+]1CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029376204	0	48	0.0	-70.05	370.38	2.94	-67.11
CC1CCC[N@H+]1CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029376204	1	48	0.0	-69.98	370.33	2.91	-67.07
CC(C)C1=[NH+]C=CN1CCC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029376284	1	52	0.0	-67.89	417.08	4.76	-63.13
CC(C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300029376291	0	54	0.0	-68.67	398.36	3.97	-64.70
CC(C)[N@@H+]1CCCCC1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029376293	0	54	0.0	-67.31	395.45	3.81	-63.50
CC(C)[N@H+]1CCCCC1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029376293	1	54	0.0	-65.36	402.53	3.99	-61.37
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029376319	0	51	0.0	-68.39	386.13	3.44	-64.95
CC(C)[N@H+]1CCCC1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029376319	1	51	0.0	-68.28	387.09	3.45	-64.83
C[NH+](C)C(CN1C=CC=N1)C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029376324	1	51	0.0	-67.47	401.86	2.71	-64.76
CC(C)[N@@H+]1CCCC1CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029376329	0	54	0.0	-64.77	400.84	4.13	-60.64
CC(C)[N@H+]1CCCC1CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029376329	1	54	0.0	-71.71	411.14	4.24	-67.47
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300029376330	0	55	0.0	-72.09	406.76	4.94	-67.15
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2CCC[N@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300029376330	1	55	0.0	-70.61	401.00	4.79	-65.82
CC(C)[C@@H](C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029376349	0	50	0.0	-72.37	370.99	3.25	-69.12
CC1CC[N@H+](CC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029376373	0	48	0.0	-72.98	377.00	3.23	-69.75
CC1CC[N@@H+](CC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029376373	1	48	0.0	-73.27	377.53	3.32	-69.95
CC1=[NH+]C=C2CC(C(=O)N3C[C@H](F)C[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300029376375	1	50	0.0	-66.28	400.62	4.23	-62.05
CC1(C)CC[N@H+](CC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029376378	0	51	0.0	-73.33	396.90	3.79	-69.54
CC1(C)CC[N@@H+](CC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029376378	1	51	0.0	-73.42	397.24	3.80	-69.62
C[N@H+](CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029376379	0	53	0.0	-73.84	399.47	3.94	-69.90
C[N@@H+](CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029376379	1	53	0.0	-73.70	401.27	4.04	-69.66
CC[C@@H](C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029376390	0	47	0.0	-69.82	356.72	2.37	-67.45
CC(COCC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300029376398	0	55	0.0	-71.73	430.31	4.37	-67.36
CN(CCC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300029376542	0	50	0.0	-70.66	406.36	3.26	-67.40
CC1=[NH+]C=CN1CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029376650	1	43	0.0	-68.60	361.11	3.17	-65.43
CC(C[NH+]1CCOCC1)C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029376652	0	52	0.0	-76.51	402.14	2.13	-74.38
O=C(CCC[NH+]1CCCCC1)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029376672	0	54	0.0	-74.17	417.15	4.83	-69.34
C[NH+](C)CC1=CC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300029376692	1	47	0.0	-79.89	386.89	2.85	-77.04
CC1=C(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300029376693	0	46	0.0	-76.56	384.24	5.14	-71.42
CC(C)C1=[NH+]C=CN1CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029376732	1	49	0.0	-67.73	397.42	4.29	-63.44
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2CCCC3CCC[N@@H+]32)C1)C1=CC(=O)[N-]O1	REAL300029376780	0	52	0.0	-71.50	387.34	3.99	-67.51
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2CCCC3CCC[N@H+]32)C1)C1=CC(=O)[N-]O1	REAL300029376780	1	52	0.0	-62.75	396.38	4.27	-58.48
CC[N@@H+]1CCOC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029376813	1	49	0.0	-78.08	383.25	2.47	-75.61
CC[N@H+]1CCOC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029376813	1	49	0.0	-82.53	382.29	2.43	-80.10
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300029376878	0	43	0.0	-77.45	366.43	4.91	-72.54
CC1=C[NH+]=CN1CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029376883	1	43	0.0	-72.04	361.44	3.89	-68.15
C[NH+](C)CCN1C=C(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300029376886	0	51	0.0	-70.74	413.04	2.70	-68.04
C[NH+](C)CCN1C=CC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029376896	0	51	0.0	-87.30	413.45	3.39	-83.91
C[C@@H]1[C@H](C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029376902	0	48	0.0	-76.34	366.92	3.04	-73.30
C[C@@H]1[C@H](C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029376902	1	48	0.0	-75.16	371.67	3.32	-71.84
CCC1=[NH+]C=CN1C(C)CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029376905	1	52	0.0	-67.92	417.68	4.82	-63.10
CC[C@@H]1[C@@H](C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029376908	0	51	0.0	-75.27	384.89	3.08	-72.19
CC[C@@H]1[C@@H](C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029376908	1	51	0.0	-75.26	389.90	3.47	-71.79
CC1CCC(C)[NH+]1CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029376926	0	51	0.0	-69.30	388.54	3.45	-65.85
O=C(CCC[NH+]1CCCC1)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029376932	0	51	0.0	-73.91	399.94	4.02	-69.89
C[NH+](C)CC1=CC=CC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029376933	0	51	0.0	-77.06	409.74	4.74	-72.32
C#CC[NH+]1CCC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029376941	0	50	0.0	-73.75	400.78	4.31	-69.44
O=C(CC[NH+]1CCCCC1)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029376942	0	51	0.0	-74.75	395.19	3.99	-70.76
C[NH+](C)CC1=CC=CC=C1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029376947	0	51	0.0	-67.41	406.74	4.78	-62.63
CC[N@@H+]1CCCCC1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029376954	0	51	0.0	-69.33	378.85	3.31	-66.02
CC[N@H+]1CCCCC1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029376954	1	51	0.0	-72.01	382.12	3.43	-68.58
CC(C)C(C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029376955	0	57	0.0	-69.63	412.58	5.08	-64.55
C[NH+](C)C(C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029376958	1	51	0.0	-70.95	403.00	4.79	-66.16
O=C(CN1C=[NH+]C2=C1CCCC2)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029376963	1	50	0.0	-71.70	403.35	5.62	-66.08
C[NH+](C)CC1(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CCCCC1	REAL300029377005	0	57	0.0	-78.80	410.11	4.33	-74.47
C[N@H+](CCC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300029377011	0	57	0.0	-76.35	430.09	5.20	-71.15
C[N@@H+](CCC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300029377011	1	57	0.0	-76.09	430.09	5.20	-70.89
C[NH+](C)C1(CC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029377012	0	54	0.0	-76.23	394.59	4.09	-72.14
C[N@H+](CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029377219	0	48	0.0	-71.32	377.90	3.53	-67.79
C[N@@H+](CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029377219	1	48	0.0	-71.96	377.79	3.52	-68.44
CC(C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300029377249	0	54	0.0	-66.85	400.31	3.95	-62.90
O=C(CCCC[NH+]1CCCC1)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029377265	0	54	0.0	-73.91	423.03	4.91	-69.00
C[N@H+](CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029377267	1	51	0.0	-78.70	408.36	5.14	-73.56
C[N@@H+](CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029377267	1	51	0.0	-78.75	408.38	5.15	-73.60
C[NH+]1CCC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029377282	0	48	0.0	-73.12	375.57	3.12	-70.00
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029377340	0	45	0.0	-70.05	350.10	2.11	-67.94
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029377340	1	45	0.0	-69.10	353.58	2.33	-66.77
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029377364	1	47	0.0	-70.99	376.89	3.29	-67.70
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029377364	1	47	0.0	-71.44	383.51	3.74	-67.70
C[N@@H+]1CCCC1CCC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029377372	0	51	0.0	-77.23	399.09	4.09	-73.14
C[N@H+]1CCCC1CCC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029377372	1	51	0.0	-76.07	395.28	3.95	-72.12
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C23CCC[NH+](CCC2)C3)C1)C1=CC(=O)[N-]O1	REAL300029377384	0	52	0.0	-73.62	380.27	3.24	-70.38
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2CCC3CCCC[N@@H+]32)C1)C1=CC(=O)[N-]O1	REAL300029377391	0	52	0.0	-69.67	392.09	4.03	-65.64
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2CCC3CCCC[N@H+]32)C1)C1=CC(=O)[N-]O1	REAL300029377391	1	52	0.0	-67.75	396.06	4.31	-63.44
CCC[N@@H+]1CCCC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029377477	0	54	0.0	-75.45	405.88	4.36	-71.09
CCC[N@H+]1CCCC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029377477	1	54	0.0	-68.02	413.99	4.44	-63.58
CC(C)[N@@H+]1CCOC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029377498	1	52	0.0	-75.66	400.00	2.95	-72.71
CC(C)[N@H+]1CCOC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029377498	1	52	0.0	-69.53	392.33	2.79	-66.74
CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029377516	0	55	0.0	-69.21	405.17	2.08	-67.13
C[N@@H+]1CCCCC1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029377535	0	48	0.0	-69.59	372.06	3.14	-66.45
C[N@H+]1CCCCC1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029377535	1	48	0.0	-68.58	372.22	3.14	-65.44
CC(C)C[N@@H+]1CCCC1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029377563	0	54	0.0	-65.42	415.27	4.58	-60.84
CC(C)C[N@H+]1CCCC1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029377563	1	54	0.0	-69.79	412.74	4.55	-65.24
O=C(C[NH+]1CCC(CO)CC1)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029377581	1	52	0.0	-77.05	405.09	0.72	-76.33
C[NH+]1C2CCC1CC(=CC(=O)N1C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029377617	0	53	0.0	-71.15	403.07	4.26	-66.89
CC1C(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029377635	0	48	0.0	-73.04	369.17	2.63	-70.41
CC1C(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029377635	1	48	0.0	-74.41	371.88	3.07	-71.34
C[N@@H+]1CCCCC1CCC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029377637	0	54	0.0	-76.26	405.65	4.32	-71.94
C[N@H+]1CCCCC1CCC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029377637	1	54	0.0	-71.56	413.09	4.53	-67.03
NC1=[NH+]C2=C(C=C1C(=O)N1C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C1)CCC2	REAL300029377673	1	48	0.0	-63.81	387.83	2.28	-61.53
CC(C)(C)[N@@H+]1CCC1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029377753	0	51	0.0	-69.48	392.17	3.18	-66.30
CC(C)(C)[N@H+]1CCC1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029377753	1	51	0.0	-69.65	373.19	2.47	-67.18
C[C@@H](C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029377775	0	44	0.0	-71.58	348.39	1.94	-69.64
C[NH+](C)CC1=CC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC=N1	REAL300029377794	1	50	0.0	-73.39	405.96	3.30	-70.09
C=CCC(C)(C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029377799	0	51	0.0	-66.03	375.96	2.99	-63.04
NC1=C(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]C2=CC=CC=C21	REAL300029377827	1	47	0.0	-68.00	385.50	1.73	-66.27
O=C(CC[NH+]1CCCC1)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029377831	0	48	0.0	-74.84	378.95	3.25	-71.59
C[N@H+](CCO)CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029377841	1	45	0.0	-74.72	359.73	-1.02	-75.74
C[N@@H+](CCO)CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029377841	1	45	0.0	-73.81	359.54	-1.00	-74.81
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2C[N@@H+]3CCN2CCC3)C1)C1=CC(=O)[N-]O1	REAL300029377886	0	51	0.0	-81.39	374.02	0.51	-80.88
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2C[N@H+]3CCN2CCC3)C1)C1=CC(=O)[N-]O1	REAL300029377886	1	51	0.0	-79.33	374.54	0.92	-78.41
CC(C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300029377914	1	49	0.0	-73.57	389.50	3.51	-70.06
C[N@H+]1CC=C(CC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029377958	0	49	0.0	-71.37	390.77	3.94	-67.43
C[N@@H+]1CC=C(CC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029377958	1	49	0.0	-68.89	390.89	3.93	-64.96
C[S+](C)CCC(O)C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029377974	0	47	0.0	-74.80	392.95	0.99	-73.81
C[N@@H+]1CC(O)CC1(C)C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029377996	0	49	0.0	-69.22	372.61	-0.91	-70.13
C[N@H+]1CC(O)CC1(C)C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029377996	1	49	0.0	-68.33	370.68	-1.13	-69.46
CN1CC[N@H+](C)CC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029378011	0	53	0.0	-70.50	398.10	1.53	-68.97
CN1CC[N@@H+](C)CC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029378011	1	53	0.0	-75.02	403.91	1.16	-73.86
CC(C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300029378012	1	52	0.0	-70.39	398.62	0.58	-69.81
CC(C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300029378012	1	52	0.0	-71.96	400.49	0.41	-71.55
NC1=[NH+]C=C2CCCC2=C1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029378045	0	48	0.0	-71.09	392.68	2.38	-68.71
C[N@@H+]1CCCC(O)(CC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029378052	0	52	0.0	-72.26	399.09	2.02	-70.24
C[N@H+]1CCCC(O)(CC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029378052	1	52	0.0	-67.25	401.90	1.91	-65.34
CC1C[NH+](CC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029378059	1	45	0.0	-73.96	362.97	2.64	-71.32
CC[N@@H+]1CCCC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029378066	0	51	0.0	-75.12	393.48	3.75	-71.37
CC[N@H+]1CCCC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029378066	1	51	0.0	-66.26	384.21	3.85	-62.41
NC1=[NH+]C=CC=C1CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029378076	0	44	0.0	-67.69	365.88	1.41	-66.28
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2CCC[N@@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300029378091	0	49	0.0	-67.92	385.50	3.85	-64.07
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2CCC[N@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300029378091	1	49	0.0	-68.97	380.53	3.39	-65.58
O=C(C=CC[NH+]1CCCC1)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029378142	0	49	0.0	-76.97	391.49	3.91	-73.06
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2CC[NH+](C3CC3)CC2)C1)C1=CC(=O)[N-]O1	REAL300029378168	0	52	0.0	-74.81	404.83	4.52	-70.29
CC[N@H+](C)CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029378221	0	44	0.0	-73.62	349.41	2.22	-71.40
CC1=CC=C(NCCC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)N=C1	REAL300029378310	0	50	0.0	-69.84	410.54	2.99	-66.85
CC1=CC=C(NCCC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)[NH+]=C1	REAL300029378310	1	50	0.0	-69.84	410.54	2.99	-66.85
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C23CCC[N@@H+]2CCCC3)C1)C1=CC(=O)[N-]O1	REAL300029378438	0	52	0.0	-67.10	379.68	3.25	-63.85
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C23CCC[N@H+]2CCCC3)C1)C1=CC(=O)[N-]O1	REAL300029378438	1	52	0.0	-67.10	379.68	3.25	-63.85
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C23CCC[N@@H+]2CC=CC3)C1)C1=CC(=O)[N-]O1	REAL300029378449	0	50	0.0	-66.68	372.50	3.14	-63.54
CC(OCC[NH+](C)C)C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029378460	0	51	0.0	-69.29	402.86	3.10	-66.19
C[NH+](C)CCOCCC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029378472	0	51	0.0	-74.19	408.49	2.41	-71.78
COCCN(C)CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029378474	0	48	0.0	-73.54	381.79	1.39	-72.15
COCC[N@H+](C)CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029378474	1	48	0.0	-75.08	381.97	1.38	-73.70
COCC[N@@H+](C)CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029378474	1	48	0.0	-75.08	381.97	1.38	-73.70
CC(CCC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029378481	0	50	0.0	-72.69	389.02	3.35	-69.34
CC[N@H+](CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029378517	0	48	0.0	-70.71	378.06	3.58	-67.13
CC1C[N@@H+]2CCN1C(C(=O)N1C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029378535	0	51	0.0	-72.73	368.79	2.01	-70.72
C[N@@H+]1CC2CC1(C(=O)N1C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029378566	0	46	0.0	-73.32	358.35	2.46	-70.86
CC1=NC(N)=CC=C1C=CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029378576	0	48	0.0	-73.77	395.53	2.24	-71.53
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029378576	1	48	0.0	-73.77	395.53	2.24	-71.53
O=C(C[N@@H+]1CC2CCC1C2)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029378584	0	49	0.0	-71.75	378.26	3.66	-68.09
CC(C)[NH+]1CCC(CC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029378599	0	57	0.0	-70.92	425.56	4.93	-65.99
CC(C[NH+](C)C)C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029378613	0	47	0.0	-75.28	369.82	2.70	-72.58
CCN1CCC1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029378669	0	45	0.0	-71.89	353.32	2.11	-69.78
CC[N@@H+]1CCC1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029378669	1	45	0.0	-72.58	362.72	2.52	-70.06
CC[N@H+]1CCC1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029378669	1	45	0.0	-72.58	362.72	2.52	-70.06
CC(C)[N@@H+]1CCCC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029378683	0	54	0.0	-72.30	410.43	4.26	-68.04
CC(C)[N@H+]1CCCC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029378683	1	54	0.0	-72.30	410.43	4.26	-68.04
CCC(C)(C)[NH2+]C(C)C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029378704	0	53	0.0	-69.62	395.00	1.99	-67.63
CNC1=NC(C)=CC=C1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029378760	0	47	0.0	-66.55	384.89	2.18	-64.37
CNC1=[NH+]C(C)=CC=C1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029378760	1	47	0.0	-66.55	384.89	2.18	-64.37
CCCC(C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029378773	0	50	0.0	-72.94	383.63	3.37	-69.57
C[NH+](C)C(C)(C)C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029378781	0	47	0.0	-70.41	352.63	2.23	-68.18
CC(CC[NH+](C)C)C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029378807	0	50	0.0	-75.34	390.88	3.29	-72.05
O=C(N[C@H]1C[C@@H](F)CN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1)C1=CC(=O)[N-]O1	REAL300029378862	0	55	0.0	-67.88	398.31	4.09	-63.79
O=C(N[C@H]1C[C@@H](F)CN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1)C1=CC(=O)[N-]O1	REAL300029378862	1	55	0.0	-65.75	406.44	4.97	-60.78
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1)C1=CC(=O)[N-]O1	REAL300029378898	0	50	0.0	-71.09	390.62	4.08	-67.01
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1)C1=CC(=O)[N-]O1	REAL300029378898	1	50	0.0	-69.36	387.40	4.09	-65.27
C[N@@H+]1CC(C)(C)CC1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029378952	0	51	0.0	-70.30	390.10	3.24	-67.06
C[N@H+]1CC(C)(C)CC1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029378952	1	51	0.0	-69.44	393.67	3.55	-65.89
C[NH+](C)CCCCCC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029378957	0	53	0.0	-74.02	418.51	4.51	-69.51
O=C(CC[NH+]1CCC(O)CC1)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029378962	0	52	0.0	-78.17	406.74	0.67	-77.50
CCC[N@@H+]1CCCCC1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029378968	0	54	0.0	-68.93	411.63	4.53	-64.40
CCC[N@H+]1CCCCC1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029378968	1	54	0.0	-68.19	411.53	4.53	-63.66
CC[NH+]1CCN(CCC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029378977	0	56	0.0	-75.27	430.28	2.28	-72.99
CCN1CC[NH+](CCC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029378977	1	56	0.0	-76.36	429.74	2.21	-74.15
C[NH+]1CCN(CC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029378980	1	50	0.0	-73.28	390.66	1.05	-72.23
CC(C)C[NH+]1CCC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029379109	0	57	0.0	-76.49	432.65	5.21	-71.28
CC1C[N@H+](C)CC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029379112	1	49	0.0	-83.74	378.97	2.51	-81.23
CC1C[N@@H+](C)CC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029379112	1	49	0.0	-80.27	386.62	2.55	-77.72
CCC1CCC[N@H+](CC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029379146	0	54	0.0	-74.13	412.67	4.67	-69.46
CCC1CCC[N@@H+](CC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029379146	1	54	0.0	-74.36	405.60	4.63	-69.73
C[NH+](C)CC1=CC=C(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029379156	0	49	0.0	-86.37	393.55	3.14	-83.23
O=C(C[NH+]1CC2CC2C1)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029379178	0	46	0.0	-73.91	367.08	3.43	-70.48
O=C(CC1([NH+]2CCCC2)CC1)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029379196	0	52	0.0	-70.59	397.78	4.36	-66.23
CC([NH2+]C1(CO)CCCC1)C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029379213	0	55	0.0	-73.40	413.94	-0.52	-73.92
C[N@@H+]1CCCCC1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029379246	0	48	0.0	-69.59	372.06	3.14	-66.45
C[N@H+]1CCCCC1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029379246	1	48	0.0	-68.58	372.22	3.14	-65.44
CC(C)C[N@@H+]1CCCC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029379258	0	57	0.0	-65.14	423.33	5.23	-59.91
CC(C)C[N@H+]1CCCC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029379258	1	57	0.0	-73.94	431.71	5.16	-68.78
C[NH+](C)C1CCN(CC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029379323	0	56	0.0	-73.40	425.36	2.25	-71.15
C[N@@H+]1CCC(=CC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029379395	0	46	0.0	-77.31	368.42	3.16	-74.15
C[N@H+]1CCC(=CC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029379395	1	46	0.0	-77.43	368.58	3.14	-74.29
O=C(CNC1=CC=[NH+]C=C1)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029379401	0	44	0.0	-73.96	367.35	0.82	-73.14
CC[NH+]1CCN(CC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029379471	0	53	0.0	-72.33	407.96	1.69	-70.64
O=C(C=C1C[NH+]2CCC1CC2)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029379474	0	50	0.0	-66.94	386.73	3.96	-62.98
C[NH+](C)C1(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029379523	0	51	0.0	-69.70	365.16	2.75	-66.95
C[N@H+](CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029379538	0	52	0.0	-68.49	402.46	0.93	-67.56
C[N@@H+](CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029379538	1	52	0.0	-71.61	402.89	0.83	-70.78
CCC1C[NH+](CC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029379544	1	48	0.0	-74.93	384.33	3.39	-71.54
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2C[NH+](C3CCOCC3)C2)C1)C1=CC(=O)[N-]O1	REAL300029379548	0	53	0.0	-78.69	414.01	2.46	-76.23
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2([NH+]3CCCC3)CCC2)C1)C1=CC(=O)[N-]O1	REAL300029379550	0	52	0.0	-71.49	386.08	3.74	-67.75
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029379565	0	45	0.0	-70.18	353.58	2.40	-67.78
C[N@H+]1CCC[C@H]1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029379565	1	45	0.0	-72.49	350.13	2.09	-70.40
CC[N@@H+]1CCOCC1CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029379605	0	52	0.0	-77.78	399.46	2.08	-75.70
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2C[NH+](C3CCCCC3)C2)C1)C1=CC(=O)[N-]O1	REAL300029379633	0	55	0.0	-76.39	423.21	4.88	-71.51
COC1C[N@@H+]2CCCC2(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029379649	0	53	0.0	-70.78	401.69	1.89	-68.89
COC1C[N@H+]2CCCC2(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029379649	1	53	0.0	-70.78	401.69	1.89	-68.89
NC1=NC2=CC(C(=O)N3C[C@H](F)C[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)=CC=C2N1	REAL300029379717	0	45	0.0	-76.17	375.85	2.50	-73.67
NC1=[NH+]C2=CC(C(=O)N3C[C@H](F)C[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)=CC=C2N1	REAL300029379717	1	45	0.0	-76.17	375.85	2.50	-73.67
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029379765	0	48	0.0	-74.76	380.80	3.29	-71.47
C[NH+](C)CCC1(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029379778	0	57	0.0	-79.93	424.87	4.58	-75.35
CC1CCCC(C)[NH+]1CCC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029379780	0	57	0.0	-70.53	425.68	4.74	-65.79
C[NH+](C)C1CCC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029379783	0	54	0.0	-70.12	400.50	4.01	-66.11
C[NH+](C)CCC1(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029379784	0	51	0.0	-71.48	403.09	3.94	-67.54
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029379786	0	54	0.0	-69.37	400.30	4.02	-65.35
C[N@@H+]1CC=CCC1CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029379787	0	49	0.0	-68.10	377.90	3.59	-64.51
C[N@H+]1CC=CCC1CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029379787	1	49	0.0	-66.20	377.88	3.59	-62.61
CC1=CC(C=CC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C[NH+]=C1N	REAL300029379847	1	48	0.0	-77.59	395.73	2.53	-75.06
C[NH+](C)CCOCC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029379861	0	48	0.0	-72.66	387.51	2.68	-69.98
CCCCC[N@H+](C)CCC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029379867	0	56	0.0	-77.09	436.29	5.11	-71.98
CCCCC[N@@H+](C)CCC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029379867	1	56	0.0	-76.98	436.29	5.11	-71.87
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029379880	0	52	0.0	-73.58	407.53	3.37	-70.21
[NH2+]=C1SC=CN1CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029379911	0	41	0.0	-68.64	358.77	1.74	-66.90
C[C@@H](OCC[NH+](C)C)C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029380000	0	51	0.0	-69.24	402.91	3.10	-66.14
O=C(CC[NH+]1CCCCCC1)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029380067	0	54	0.0	-75.52	406.09	4.59	-70.93
C[N@@H+]1CCCC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029380073	0	48	0.0	-68.93	374.78	3.03	-65.90
C[N@H+]1CCCC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029380073	1	48	0.0	-68.93	374.78	3.03	-65.90
O=C(CN1CCC(CO)CC1)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029380074	0	52	0.0	-77.05	405.09	0.72	-76.33
O=C(C[NH+]1CCC(CO)CC1)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029380074	1	52	0.0	-77.05	405.09	0.72	-76.33
CN1C=C[N+](CC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029380087	0	43	0.0	-69.91	362.91	5.06	-64.85
C[N@@H+]1CCCC(C(C)(C)C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029380105	0	57	0.0	-81.99	406.67	3.59	-78.40
C[N@H+]1CCCC(C(C)(C)C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029380105	1	57	0.0	-81.99	406.67	3.59	-78.40
CN(C)CC1=CC=C(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029380110	0	48	0.0	-56.68	392.08	3.21	-53.47
C[NH+](C)CC1=CC=C(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029380110	1	48	0.0	-56.68	392.08	3.21	-53.47
O=C(CN1CCC(O)CC1)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029380135	0	49	0.0	-78.85	384.82	0.07	-78.78
O=C(C[NH+]1CCC(O)CC1)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029380135	1	49	0.0	-78.85	384.82	0.07	-78.78
C[N@H+](CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029380141	0	45	0.0	-70.64	360.92	2.95	-67.69
CC(C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)N1CCN(C)CC1	REAL300029380143	0	53	0.0	-71.18	398.99	1.08	-70.10
CC(C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300029380143	1	53	0.0	-71.18	398.99	1.08	-70.10
O=C(CC[N@H+]1CCC(F)C1)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029380147	0	48	0.0	-76.61	385.99	3.39	-73.22
COC1C[N@H+](C)C(C)(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029380162	0	52	0.0	-68.61	393.58	1.06	-67.55
CC(CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029380184	0	50	0.0	-74.83	388.70	3.60	-71.23
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2CC[N@@H+]3CCOCC23)C1)C1=CC(=O)[N-]O1	REAL300029380206	0	50	0.0	-71.06	382.33	1.69	-69.37
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2CC[N@H+]3CCOCC23)C1)C1=CC(=O)[N-]O1	REAL300029380206	1	50	0.0	-71.06	382.33	1.69	-69.37
CN1CCOCC1CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029380232	0	49	0.0	-79.85	382.26	1.41	-78.44
C[N@@H+]1CCOCC1CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029380232	1	49	0.0	-68.57	374.77	1.27	-67.30
C[N@H+]1CCOCC1CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029380232	1	49	0.0	-68.57	374.77	1.27	-67.30
CC1=CC(N)=NC=C1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029380311	0	44	0.0	-74.94	363.62	0.87	-74.07
CC1=CC(N)=[NH+]C=C1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029380311	1	44	0.0	-74.94	363.62	0.87	-74.07
CC1(O)CC[N@H+](CC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029380369	0	49	0.0	-72.54	387.67	-0.03	-72.57
C[NH+](C)CCN1N=CC=C1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029380377	0	51	0.0	-65.25	407.59	2.78	-62.47
C[NH+]1CC(CC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029380412	0	45	0.0	-74.77	363.12	2.42	-72.35
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2CC[N@@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300029380418	0	52	0.0	-71.81	395.78	3.98	-67.83
C[N@H+](CCO)CCC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029380467	0	48	0.0	-74.63	382.10	-0.42	-75.05
C[N@@H+](CCO)CCC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029380467	1	48	0.0	-74.63	382.10	-0.42	-75.05
C[N@@H+]1CCCCC1CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029380492	0	51	0.0	-76.50	390.85	3.78	-72.72
C[N@H+]1CCCCC1CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029380492	1	51	0.0	-76.50	390.85	3.78	-72.72
CC1=C2C=C(C(=O)N3C[C@H](F)C[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=N1	REAL300029380522	0	46	0.0	-76.30	388.46	5.52	-70.78
CC1=C2C=C(C(=O)N3C[C@H](F)C[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029380522	1	46	0.0	-76.30	388.46	5.52	-70.78
CC(C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)N1CC(C)C1	REAL300029380523	0	48	0.0	-71.41	380.66	3.07	-68.34
CC(C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300029380523	1	48	0.0	-71.41	380.66	3.07	-68.34
CC1CCN1CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029380529	0	45	0.0	-71.22	357.46	2.36	-68.86
CC1CC[N@@H+]1CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029380529	1	45	0.0	-72.80	362.99	2.63	-70.17
CC1CC[N@H+]1CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029380529	1	45	0.0	-72.80	362.99	2.63	-70.17
C[NH+](C)CC=CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029380547	0	45	0.0	-78.33	366.53	2.78	-75.55
O=C(CCCC[NH+]1CCCCC1)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029380575	0	57	0.0	-73.99	438.68	5.61	-68.38
CC1=C(C)NC(CCC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029380588	0	49	0.0	-68.76	401.90	2.89	-65.87
CC1=C(C)[NH+]=C(CCC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029380588	1	49	0.0	-68.76	401.90	2.89	-65.87
C[NH+]1CCC(C2(C(=O)N3C[C@H](F)C[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029380599	0	55	0.0	-73.74	417.88	4.89	-68.85
CC1=C2C=C(C(=O)N3C[C@H](F)C[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=N1	REAL300029380609	0	46	0.0	-76.30	388.46	5.52	-70.78
CC1=C2C=C(C(=O)N3C[C@H](F)C[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029380609	1	46	0.0	-76.30	388.46	5.52	-70.78
C[NH+](C)CCSCC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029380621	0	48	0.0	-79.90	398.54	3.56	-76.34
O=C(C[N@H+]1CCCC1CO)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029380650	0	49	0.0	-72.91	384.86	0.17	-72.74
CC[NH+](CC)CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029380654	0	47	0.0	-71.64	367.65	2.90	-68.74
C[N@H+](CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029380665	0	49	0.0	-80.41	390.98	3.77	-76.64
CC[NH+](CC)CCC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029380727	0	50	0.0	-74.56	385.27	3.25	-71.31
NC(=O)C1CCN(CC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029380752	0	52	0.0	-88.21	409.61	0.10	-88.11
NC(=O)C1CC[NH+](CC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029380752	1	52	0.0	-88.21	409.61	0.10	-88.11
CC(C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)N1CCC(O)CC1	REAL300029380825	0	52	0.0	-74.44	401.31	0.45	-73.99
CC(C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300029380825	1	52	0.0	-74.44	401.31	0.45	-73.99
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2CC3COCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029380833	0	50	0.0	-75.43	386.96	1.71	-73.72
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2CC3COCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029380833	1	50	0.0	-75.43	386.96	1.71	-73.72
CC(C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029380851	1	45	0.0	-67.08	360.31	2.48	-64.60
CCC(CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029380862	0	53	0.0	-75.76	402.70	4.09	-71.67
NC1=CC=C(C=CC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300029380870	0	45	0.0	-76.20	378.01	1.80	-74.40
C[NH+](C)CC(C)(C)C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029380871	0	50	0.0	-69.43	370.33	2.52	-66.91
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029380944	0	48	0.0	-70.64	361.09	2.66	-67.98
C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029380944	1	48	0.0	-67.95	371.09	3.07	-64.88
CC1CN2CC[N@@H+]1CC2C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029380961	0	51	0.0	-75.37	380.93	0.14	-75.23
CC1CN2CC[N@H+]1CC2C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029380961	1	51	0.0	-74.75	381.01	0.15	-74.60
C[NH+](C)CC(O)CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029380990	0	48	0.0	-78.49	384.32	0.63	-77.86
C[NH+]1C2CCC1CC(C(=O)N1C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029380993	0	52	0.0	-68.03	376.70	3.29	-64.74
C=CCC(C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029381038	0	48	0.0	-69.39	372.22	2.93	-66.46
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029381050	0	52	0.0	-71.64	395.63	4.08	-67.56
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029381050	1	52	0.0	-69.92	395.18	4.16	-65.76
C[NH+]1CCC(C)(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029381064	0	51	0.0	-71.58	380.06	3.03	-68.55
C[NH+]1CCC(O)(CC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029381069	0	52	0.0	-74.07	402.11	1.89	-72.18
COCC[N@@H+]1CCCC1CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029381084	0	55	0.0	-74.68	420.85	2.95	-71.73
COCC[N@H+]1CCCC1CC(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029381084	1	55	0.0	-74.40	423.07	2.66	-71.74
C[NH+]1C2CCC1CC(CC(=O)N1C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029381096	0	55	0.0	-72.76	397.52	4.04	-68.72
C[NH+](C)CCN1N=CC=C1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029381132	0	51	0.0	-65.48	408.31	2.76	-62.72
C[NH+]1CCC(C2(C(=O)N[C@H]3C[C@@H](F)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029381177	0	55	0.0	-66.62	417.07	5.11	-61.51
CC1=C2C=C(C(=O)N[C@H]3C[C@@H](F)CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029381188	1	46	0.0	-78.68	380.93	5.39	-73.29
C[NH+](C)CCSCC(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029381199	0	48	0.0	-80.33	395.72	3.33	-77.00
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2COCC[N@@H+]2C1	REAL300029381211	0	50	0.0	-73.27	387.18	1.79	-71.48
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2COCC[N@H+]2C1	REAL300029381211	1	50	0.0	-75.99	387.42	1.77	-74.22
C[N@@H+]1CCCC1C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029381375	0	54	0.0	-74.62	403.54	3.80	-70.82
C[N@H+]1CCCC1C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029381375	1	54	0.0	-72.19	403.55	3.92	-68.27
C[N@@H+]1CCOC(C(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029381399	1	55	0.0	-82.20	421.17	3.83	-78.37
C[N@H+]1CCOC(C(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029381399	1	55	0.0	-79.47	414.06	3.68	-75.79
CC(C)[N@@H+]1CCCC1C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029381549	0	60	0.0	-72.56	436.41	5.54	-67.02
CC(C)[N@H+]1CCCC1C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029381549	1	60	0.0	-70.14	442.59	5.51	-64.63
CC1=[NH+]C=CN1CC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029381579	1	52	0.0	-69.93	413.24	4.98	-64.95
O=C(NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1C[NH+]2CCC1CC2	REAL300029381601	0	58	0.0	-81.53	424.87	5.06	-76.47
C[C@@H]1[C@H](C(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300029381634	0	57	0.0	-76.59	421.03	4.51	-72.08
C[C@@H]1[C@H](C(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300029381634	1	57	0.0	-75.60	425.77	4.65	-70.95
CC[C@@H]1[C@@H](C(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300029381636	0	60	0.0	-76.25	440.47	5.07	-71.18
CC[C@@H]1[C@@H](C(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300029381636	1	60	0.0	-72.69	444.82	5.59	-67.10
CC[N@@H+]1CCOC(C(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029381642	1	58	0.0	-76.88	431.84	4.34	-72.54
CC[N@H+]1CCOC(C(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029381642	1	58	0.0	-78.48	431.86	4.32	-74.16
CC[NH+](CC)CC(F)C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029381668	0	59	0.0	-75.43	446.83	5.21	-70.22
CC1CCC(C)[NH+]1CC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029381701	0	60	0.0	-70.66	441.29	5.24	-65.42
O=C(CCC[NH+]1CCCC1)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029381704	0	60	0.0	-75.98	453.62	5.91	-70.07
O=C(CC[NH+]1CCCCC1)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029381707	0	60	0.0	-76.04	447.34	5.79	-70.25
CC[N@@H+]1CCCCC1C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029381710	0	60	0.0	-71.23	433.81	5.36	-65.87
CC[N@H+]1CCCCC1C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029381710	1	60	0.0	-71.02	434.67	5.41	-65.61
C[NH+](C)C1(C(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300029381720	0	57	0.0	-79.80	415.06	4.68	-75.12
CC(C)[C@@H](C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029381726	0	59	0.0	-72.43	427.60	4.80	-67.63
C[N@H+](CC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300029381750	0	57	0.0	-70.43	430.03	5.35	-65.08
C[N@@H+](CC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300029381750	1	57	0.0	-72.80	429.91	5.35	-67.45
C#CC[N@H+]1CCC[C@H]1C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029381815	1	56	0.0	-72.17	430.35	5.15	-67.02
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029381815	1	56	0.0	-69.65	436.17	5.55	-64.10
C[N@@H+]1CCCC1CCC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029381820	0	60	0.0	-77.98	451.18	5.87	-72.11
C[N@H+]1CCCC1CCC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029381820	1	60	0.0	-74.70	445.78	5.40	-69.30
C[NH+]1CCC(C(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029381836	0	57	0.0	-79.85	428.39	5.04	-74.81
C[N@@H+]1CCCCC1C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029381870	0	57	0.0	-72.47	416.07	4.83	-67.64
C[N@H+]1CCCCC1C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029381870	1	57	0.0	-72.40	417.27	4.73	-67.67
O=C(NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN2C=[NH+]C=C2C=C1	REAL300029381931	0	52	0.0	-76.37	413.96	6.88	-69.49
O=C(CC[NH+]1CCOCC1)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029381937	1	58	0.0	-76.97	438.70	3.23	-73.74
CC1=C[NH+]=CN1CC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029381950	1	52	0.0	-74.36	412.51	5.67	-68.69
O=C(NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CCC[NH+]1CCC2	REAL300029381969	0	58	0.0	-77.31	428.15	5.25	-72.06
C[N@@H+]1CCC(CC(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029381978	0	57	0.0	-75.36	430.11	4.86	-70.50
C[N@H+]1CCC(CC(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029381978	1	57	0.0	-76.88	429.95	4.98	-71.90
CCC(C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029381985	0	56	0.0	-69.15	413.31	4.23	-64.92
O=C(NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC2=C[NH+]=CN2C=C1	REAL300029382012	1	52	0.0	-80.92	414.23	6.89	-74.03
C[NH+](C)CCCCC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382040	0	59	0.0	-75.90	448.80	5.36	-70.54
CC(C)C(C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029382052	0	59	0.0	-69.15	429.49	4.81	-64.34
CCC[N@H+](C)CCC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382053	0	59	0.0	-77.25	445.39	5.34	-71.91
CCC[N@@H+](C)CCC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382053	1	59	0.0	-74.89	445.03	5.18	-69.71
CCC[N@H+](C)CC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382056	0	56	0.0	-72.33	422.66	4.63	-67.70
CCC[N@@H+](C)CC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382056	1	56	0.0	-74.79	423.02	4.78	-70.01
O=C(NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CC[N@H+](C1)CCC2	REAL300029382070	0	58	0.0	-80.69	425.72	4.60	-76.09
O=C(NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CC[N@@H+](C1)CCC2	REAL300029382070	1	58	0.0	-81.34	425.72	4.61	-76.73
C[N@@H+]1CCC[C@@H]1C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382096	0	54	0.0	-72.45	403.55	3.80	-68.65
C[N@H+]1CCC[C@@H]1C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382096	1	54	0.0	-71.90	408.76	4.46	-67.44
CC[NH+](CC)CC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382129	0	56	0.0	-70.73	414.94	4.32	-66.41
CC1CC[NH+](CC(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029382189	0	60	0.0	-72.47	446.04	5.74	-66.73
C[NH+](C)CC1(C(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029382209	0	57	0.0	-76.40	435.17	5.02	-71.38
C[NH+]1CCC(C(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029382261	0	57	0.0	-79.85	428.39	5.04	-74.81
CC(C)[C@H](C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029382277	0	59	0.0	-71.67	434.72	5.35	-66.32
CCC(C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](CC)CC	REAL300029382305	0	62	0.0	-66.02	448.44	5.58	-60.44
CC[N@H+](C)CCC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382338	0	56	0.0	-76.50	423.88	4.58	-71.92
CC[N@@H+](C)CCC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382338	1	56	0.0	-74.19	423.53	4.44	-69.75
CC1CCC[N@@H+]1CC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382364	0	57	0.0	-71.35	422.52	4.76	-66.59
CC1CCC[N@H+]1CC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382364	1	57	0.0	-72.02	428.97	5.16	-66.86
CC1CC[N@H+](CC(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029382365	0	57	0.0	-71.63	429.88	5.13	-66.50
CC1CC[N@@H+](CC(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029382365	1	57	0.0	-73.78	429.20	5.06	-68.72
CC1(C)CC[N@H+](CC(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029382369	0	60	0.0	-73.90	448.84	5.62	-68.28
CC1(C)CC[N@@H+](CC(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029382369	1	60	0.0	-71.76	449.37	5.64	-66.12
C[N@H+](CC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300029382370	0	62	0.0	-74.75	451.40	5.69	-69.06
C[N@@H+](CC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300029382370	1	62	0.0	-74.44	453.63	5.86	-68.58
CC[C@@H](C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029382378	0	56	0.0	-69.21	412.40	4.34	-64.87
C[NH+](C)CC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382474	0	50	0.0	-72.81	383.43	3.23	-69.58
O=C(C[NH+]1CCCCCC1)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382477	0	60	0.0	-71.81	434.89	5.43	-66.38
CN1C=C[N+](CC(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300029382480	0	52	0.0	-72.92	415.02	6.88	-66.04
C[N@@H+]1CCCC(C(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029382484	0	57	0.0	-75.75	428.37	5.00	-70.75
C[N@H+]1CCCC(C(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029382484	1	57	0.0	-68.56	422.11	5.20	-63.36
O=C(NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC[N@@H+]1C1CC1	REAL300029382489	0	58	0.0	-69.60	439.66	5.89	-63.71
O=C(NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC[N@H+]1C1CC1	REAL300029382489	1	58	0.0	-72.56	433.71	5.24	-67.32
CC(C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC1	REAL300029382504	1	54	0.0	-73.52	413.66	4.20	-69.32
CCC(CC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300029382508	0	62	0.0	-75.12	454.31	5.75	-69.37
C[NH+](C)CC(C)(C)C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382513	0	59	0.0	-70.65	431.61	4.95	-65.70
O=C(C[NH+]1CCC(O)CC1)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382526	1	58	0.0	-79.18	436.60	1.89	-77.29
C[N@H+](CC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029382527	0	54	0.0	-72.37	413.19	4.78	-67.59
C[N@@H+](CC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029382527	1	54	0.0	-72.29	413.20	4.77	-67.52
C[NH+]1CC(CC(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029382542	0	54	0.0	-74.47	414.88	4.05	-70.42
CC(C)(C)[N@@H+]1CCC1C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382553	0	60	0.0	-71.86	428.22	4.90	-66.96
CC(C)(C)[N@H+]1CCC1C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382553	1	60	0.0	-71.47	428.38	4.53	-66.94
C[C@@H](C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029382564	0	53	0.0	-72.99	401.34	3.77	-69.22
[NH2+]=C1SC=CN1CC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382621	0	50	0.0	-69.50	410.88	3.55	-65.95
C[N@H+](CCO)CCC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382627	0	57	0.0	-73.89	433.88	1.23	-72.66
C[N@@H+](CCO)CCC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382627	1	57	0.0	-76.09	434.30	1.32	-74.77
C[C@@H](C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029382628	0	53	0.0	-72.99	401.34	3.77	-69.22
C[N@@H+]1CCCC[C@@H]1C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382632	0	57	0.0	-72.52	416.05	4.71	-67.81
C[N@H+]1CCCC[C@@H]1C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382632	1	57	0.0	-71.88	425.46	4.85	-67.03
O=C(C[NH+]1CCC1)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382682	1	51	0.0	-72.49	393.53	3.65	-68.84
C[N@@H+]1CCC(=CC(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029382699	0	55	0.0	-78.65	422.64	4.91	-73.74
C[N@H+]1CCC(=CC(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029382699	1	55	0.0	-78.71	422.64	4.92	-73.79
C[NH+](C)CCOCC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382720	0	57	0.0	-73.13	439.24	4.31	-68.82
C=CCC(C)(C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029382733	0	60	0.0	-67.24	438.43	5.30	-61.94
C[N@@H+]1CC(O)CC1(C)C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382754	0	58	0.0	-80.48	429.58	1.95	-78.53
CC1CN(CC(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029382772	0	54	0.0	-74.88	415.06	4.47	-70.41
CC1C[NH+](CC(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029382772	1	54	0.0	-74.88	415.06	4.47	-70.41
CN(CCO)CC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382790	0	54	0.0	-72.76	411.89	0.80	-71.96
C[N@H+](CCO)CC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382790	1	54	0.0	-72.46	411.52	0.68	-71.78
C[N@@H+](CCO)CC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382790	1	54	0.0	-72.46	411.52	0.68	-71.78
CC[N@@H+]1CCCC(C(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029382810	0	60	0.0	-74.04	446.01	5.65	-68.39
CC[N@H+]1CCCC(C(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029382810	1	60	0.0	-74.04	446.01	5.65	-68.39
CC(CC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300029382812	0	59	0.0	-76.70	440.48	5.23	-71.47
CC[N@H+](C)CC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382817	0	53	0.0	-74.40	401.52	4.04	-70.36
CC[N@H+](CC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029382849	0	57	0.0	-71.95	430.12	5.33	-66.62
CC[N@@H+](CC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029382849	1	57	0.0	-73.08	425.30	5.28	-67.80
CC[NH+](CC)CCC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382859	0	59	0.0	-73.53	437.13	4.88	-68.65
C[NH+]1CCC(=CC(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029382868	0	58	0.0	-74.20	437.68	5.73	-68.47
CC1(C)C[NH+](CC(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029382876	1	57	0.0	-74.88	434.63	5.04	-69.84
CC1(O)CC[N@H+](CC(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029382894	0	58	0.0	-75.05	440.05	1.79	-73.26
CC1(O)CC[N@@H+](CC(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029382894	1	58	0.0	-72.83	440.02	1.79	-71.04
C[NH+](C)CC=CC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382897	0	54	0.0	-77.85	419.40	4.44	-73.41
CC(OCC[NH+](C)C)C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382906	0	60	0.0	-73.87	458.23	5.05	-68.82
C[NH+](C)CCOCCC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382912	0	60	0.0	-74.20	460.26	4.02	-70.18
COCC[N@H+](C)CC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382913	1	57	0.0	-72.22	433.77	3.09	-69.13
COCC[N@@H+](C)CC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382913	1	57	0.0	-72.92	434.14	3.20	-69.72
C[NH+](C)C1(C(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCCC1	REAL300029382933	0	60	0.0	-79.80	434.99	5.43	-74.37
CC(CCC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029382935	0	59	0.0	-73.32	439.98	4.98	-68.34
CC[N@@H+]1CCC1C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382941	1	54	0.0	-70.03	408.56	4.09	-65.94
CC[N@H+]1CCC1C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382941	1	54	0.0	-71.59	415.42	4.40	-67.19
O=C(C[N@H+]1CCCC1CO)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382953	0	58	0.0	-71.16	438.65	1.93	-69.23
O=C(C[N@@H+]1CCCC1CO)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382953	1	58	0.0	-74.20	436.81	1.93	-72.27
C[NH+]1CCC(C)(C(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029382974	0	60	0.0	-74.83	440.75	5.33	-69.50
C=CCC(C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029382992	0	57	0.0	-69.01	426.87	4.77	-64.24
C[N@@H+]1CC(C)(C)CC1C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382999	0	60	0.0	-73.57	443.46	4.99	-68.58
C[N@H+]1CC(C)(C)CC1C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382999	1	60	0.0	-71.74	443.90	4.96	-66.78
C[NH+](C)CCCCCC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029383001	0	62	0.0	-75.59	470.29	6.14	-69.45
O=C(C[NH+]1CC2CC2C1)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029383006	0	55	0.0	-74.78	419.13	5.25	-69.53
CCCC(C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029383021	0	59	0.0	-69.87	434.81	5.02	-64.85
C[NH+](C)C(C)(C)C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029383024	0	56	0.0	-76.33	411.32	4.25	-72.08
C[N@@H+]1CCCCC1C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029383049	0	57	0.0	-72.47	416.07	4.83	-67.64
C[N@H+]1CCCCC1C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029383049	1	57	0.0	-72.40	417.27	4.73	-67.67
C[N@H+]1CC=C(CC(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029383072	0	58	0.0	-74.31	442.93	5.70	-68.61
C[N@@H+]1CC=C(CC(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029383072	1	58	0.0	-71.34	442.57	5.56	-65.78
O=C(C=CC[NH+]1CCCC1)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029383106	0	58	0.0	-78.19	444.35	5.65	-72.54
C[NH+](C)C1(C(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029383136	0	54	0.0	-79.66	406.58	5.09	-74.57
O=C(CC[NH+]1CCCC1)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029383138	0	57	0.0	-76.01	432.12	5.11	-70.90
O=C(NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1C[NH+]2CCN1CC2	REAL300029383161	0	57	0.0	-82.62	419.87	1.74	-80.88
C[N@@H+]1CC2CC1(C(=O)NCCCC1CCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300029383165	0	55	0.0	-78.32	415.85	4.58	-73.74
C[N@H+]1CC2CC1(C(=O)NCCCC1CCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300029383165	1	55	0.0	-77.15	417.30	4.42	-72.73
O=C(C[N@@H+]1CC2CCC1C2)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029383172	0	58	0.0	-72.77	430.53	5.49	-67.28
O=C(C[N@H+]1CC2CCC1C2)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029383172	1	58	0.0	-72.69	430.22	5.47	-67.22
O=C(C[N@@H+]1CC2C=CC1C2)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029383210	1	56	0.0	-72.96	422.93	5.34	-67.62
O=C(C[N@H+]1CC2C=CC1C2)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029383210	1	56	0.0	-69.11	422.90	5.26	-63.85
CC(C[NH+](C)C)C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029383242	0	56	0.0	-73.99	421.84	4.51	-69.48
C[N@@H+]1CCCCC1CC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029383286	0	60	0.0	-67.98	435.53	5.44	-62.54
C[N@H+]1CCCCC1CC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029383286	1	60	0.0	-77.39	442.82	5.55	-71.84
CC(C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CC(C)C1	REAL300029383296	0	57	0.0	-70.02	432.63	4.92	-65.10
CC1CC[N@@H+]1CC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029383298	1	54	0.0	-72.68	409.60	4.19	-68.49
CC1CC[N@H+]1CC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029383298	1	54	0.0	-73.58	415.12	4.45	-69.13
C[NH+](C)CC(O)CC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029383301	0	57	0.0	-78.04	436.01	2.28	-75.76
CC1C[N@H+](C)CC(C(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300029383321	1	58	0.0	-79.93	435.25	4.41	-75.52
CC1C[N@@H+](C)CC(C(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300029383321	1	58	0.0	-78.27	435.22	4.41	-73.86
C[NH+](C)[C@H]1C[C@H](C(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029383363	0	57	0.0	-74.85	433.12	5.00	-69.85
CC(CC[NH+](C)C)C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029383368	0	59	0.0	-74.52	443.47	5.12	-69.40
C[NH+]1CCN(CC(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029383385	1	59	0.0	-75.34	442.47	2.74	-72.60
NC(=[NH2+])SCC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029383407	0	48	0.0	-74.69	391.36	0.18	-74.51
C[NH+](C)CCC1(C(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029383435	0	60	0.0	-81.46	457.52	5.81	-75.65
C[N@@H+]1CC=CCC1CC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029383436	0	58	0.0	-75.45	435.16	5.42	-70.03
C[N@H+]1CC=CCC1CC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029383436	1	58	0.0	-69.06	429.96	5.37	-63.69
C[C@@H](OCC[NH+](C)C)C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029383448	0	60	0.0	-74.02	459.45	5.12	-68.90
CCC1CN(CC(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029383526	0	57	0.0	-75.63	436.45	5.23	-70.40
CCC1C[NH+](CC(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029383526	1	57	0.0	-75.63	436.45	5.23	-70.40
C[N@@H+]1CCC[C@H]1C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029383531	0	54	0.0	-73.90	403.55	3.79	-70.11
O=C(CC[N@H+]1CCC(F)C1)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029383537	0	57	0.0	-80.76	437.83	5.12	-75.64
CC1C(C(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300029383556	0	57	0.0	-75.46	430.26	4.78	-70.68
CC1C(C(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300029383556	1	57	0.0	-75.46	430.26	4.78	-70.68
CN1CCOCC1CC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029383585	0	58	0.0	-71.03	426.91	3.05	-67.98
C[N@@H+]1CCOCC1CC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029383585	1	58	0.0	-71.80	426.92	3.05	-68.75
C[N@H+]1CCOCC1CC(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029383585	1	58	0.0	-71.80	426.92	3.05	-68.75
C[N@@H+]1CCCC1C(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029383755	0	54	0.0	-67.77	409.38	4.35	-63.42
C[N@H+]1CCCC1C(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029383755	1	54	0.0	-67.77	409.38	4.35	-63.42
CN1CCOC(C(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029383781	0	55	0.0	-75.11	412.61	3.58	-71.53
C[N@@H+]1CCOC(C(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029383781	1	55	0.0	-82.12	419.52	3.75	-78.37
C[N@H+]1CCOC(C(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029383781	1	55	0.0	-82.12	419.52	3.75	-78.37
O=C(CC[NH+]1CCOCC1)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029383932	1	58	0.0	-75.48	441.97	3.55	-71.93
O=C(NCCCC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1)C1=CC(=O)[N-]O1	REAL300029383942	0	58	0.0	-65.80	423.19	4.80	-61.00
O=C(NCCCC1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC1)C1=CC(=O)[N-]O1	REAL300029383948	1	52	0.0	-74.96	421.28	6.87	-68.09
C[N@@H+]1CCC(CC(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029383974	0	57	0.0	-73.11	433.47	5.12	-67.99
C[N@H+]1CCC(CC(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029383974	1	57	0.0	-73.33	433.35	5.17	-68.16
CCC(C(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029383981	0	56	0.0	-67.18	411.32	4.29	-62.89
C[NH+](C)CCCCC(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029384016	0	59	0.0	-74.03	452.04	5.70	-68.33
CC(C)C(C(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029384030	0	59	0.0	-67.90	427.86	4.93	-62.97
CCC[N@H+](C)CCC(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029384031	0	59	0.0	-73.47	448.28	5.52	-67.95
CCC[N@@H+](C)CCC(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029384031	1	59	0.0	-73.48	448.30	5.50	-67.98
CCC[N@H+](C)CC(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029384034	0	56	0.0	-70.73	425.87	4.90	-65.83
CCC[N@@H+](C)CC(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029384034	1	56	0.0	-70.68	425.93	4.92	-65.76
O=C(NCCCC1CCN(C(=O)C23CC[N@H+](C2)CCC3)CC1)C1=CC(=O)[N-]O1	REAL300029384048	0	58	0.0	-72.55	420.74	4.37	-68.18
O=C(NCCCC1CCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1)C1=CC(=O)[N-]O1	REAL300029384048	1	58	0.0	-78.53	417.29	4.24	-74.29
CC1CC[NH+](CC(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029384081	0	60	0.0	-70.74	449.26	5.99	-64.75
C[NH+](C)CC1(C(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029384120	0	57	0.0	-71.15	434.25	5.03	-66.12
CC[N@H+](C)CCC(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029384139	0	56	0.0	-72.80	426.78	4.78	-68.02
CC[N@@H+](C)CCC(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029384139	1	56	0.0	-72.76	426.78	4.78	-67.98
O=C(NCCCC1CCN(C(=O)C2C[NH+]3CCC2CC3)CC1)C1=CC(=O)[N-]O1	REAL300029384152	0	58	0.0	-75.86	422.87	4.98	-70.88
C[NH+]1CCC(C(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029384199	0	57	0.0	-74.92	430.78	5.07	-69.85
CC(C)[C@H](C(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029384215	0	59	0.0	-68.66	429.55	5.03	-63.63
CC[NH+](CC)CC(F)C(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029384268	0	59	0.0	-73.82	447.44	5.40	-68.42
C[NH+](C)C1(C(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300029384286	0	57	0.0	-71.49	410.99	4.39	-67.10
CCC(C(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](CC)CC	REAL300029384314	0	62	0.0	-64.03	448.79	5.62	-58.41
CC1CCC[N@@H+]1CC(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029384324	0	57	0.0	-67.81	432.02	5.29	-62.52
CC1CCC[N@H+]1CC(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029384324	1	57	0.0	-67.70	431.79	5.27	-62.43
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029384362	0	60	0.0	-66.84	445.74	5.41	-61.43
CC(C)[N@H+]1CCCC1C(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029384362	1	60	0.0	-65.88	441.91	5.41	-60.47
CC(C)[C@@H](C(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029384369	0	59	0.0	-69.20	426.01	5.11	-64.09
CC1CC[N@H+](CC(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029384382	0	57	0.0	-69.55	432.03	5.19	-64.36
CC1CC[N@@H+](CC(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029384382	1	57	0.0	-69.80	432.40	5.25	-64.55
CC1(C)CC[N@H+](CC(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029384386	0	60	0.0	-69.90	451.86	5.73	-64.17
CC1(C)CC[N@@H+](CC(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029384386	1	60	0.0	-69.94	452.25	5.76	-64.18
C[N@H+](CC(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300029384387	0	62	0.0	-70.58	454.47	5.88	-64.70
C[N@@H+](CC(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300029384387	1	62	0.0	-70.34	456.48	6.05	-64.29
CC[C@@H](C(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029384395	0	56	0.0	-67.12	411.01	4.30	-62.82
CC1=[NH+]C=CN1CC(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029384500	1	52	0.0	-67.60	416.08	5.11	-62.49
CC[N@@H+]1CCOC(C(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029384555	1	58	0.0	-78.82	437.30	4.39	-74.43
CC[N@H+]1CCOC(C(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029384555	1	58	0.0	-71.42	430.59	4.25	-67.17
O=C(NCCCC1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC1)C1=CC(=O)[N-]O1	REAL300029384584	0	52	0.0	-74.90	421.93	6.90	-68.00
CC1=C[NH+]=CN1CC(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029384587	1	52	0.0	-70.55	416.44	5.85	-64.70
C[C@@H]1[C@H](C(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300029384593	0	57	0.0	-72.83	422.74	4.74	-68.09
C[C@@H]1[C@H](C(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300029384593	1	57	0.0	-71.97	426.91	5.02	-66.95
CC[C@@H]1[C@@H](C(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300029384595	0	60	0.0	-72.65	439.93	5.05	-67.60
CC[C@@H]1[C@@H](C(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300029384595	1	60	0.0	-70.89	443.73	5.51	-65.38
CC1CCC(C)[NH+]1CC(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029384602	0	60	0.0	-66.65	443.81	5.51	-61.14
O=C(CCC[NH+]1CCCC1)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029384605	0	60	0.0	-72.17	454.93	5.95	-66.22
O=C(CC[NH+]1CCCCC1)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029384609	0	60	0.0	-72.13	450.67	5.99	-66.14
CC[N@@H+]1CCCCC1C(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029384612	0	60	0.0	-66.01	445.13	5.71	-60.30
CC[N@H+]1CCCCC1C(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029384612	1	60	0.0	-65.48	445.09	5.75	-59.73
C[N@H+](CC(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300029384703	0	57	0.0	-68.37	432.78	5.49	-62.88
C[N@@H+](CC(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300029384703	1	57	0.0	-68.77	432.92	5.49	-63.28
C[NH+]1CCC(C(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029384731	0	57	0.0	-74.92	430.78	5.07	-69.85
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029384759	0	54	0.0	-70.21	405.09	4.05	-66.16
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029384759	1	54	0.0	-67.57	408.15	4.27	-63.30
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029384776	1	56	0.0	-67.51	431.74	5.25	-62.26
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029384776	1	56	0.0	-67.77	435.34	5.62	-62.15
C[N@@H+]1CCCC1CCC(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029384781	0	60	0.0	-74.46	454.06	6.05	-68.41
C[N@H+]1CCCC1CCC(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029384781	1	60	0.0	-71.13	448.63	5.58	-65.55
C[N@@H+]1CCCCC1C(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029384850	0	57	0.0	-67.15	427.05	5.08	-62.07
C[N@H+]1CCCCC1C(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029384850	1	57	0.0	-67.89	416.00	4.53	-63.36
CC1C(C(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300029384905	0	57	0.0	-70.74	424.05	4.58	-66.16
CC1C(C(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300029384905	1	57	0.0	-70.20	423.93	4.57	-65.63
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C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C2N(C(=O)C3=CC(=O)[N-]O3)CC2(C)C)CC1	REAL300029386792	0	58	0.0	-74.94	417.67	5.77	-69.17
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C2N(C(=O)C3=CC(=O)[N-]O3)CC2(C)C)CC1	REAL300029386792	1	58	0.0	-74.94	417.67	5.77	-69.17
CC[NH+](CC)CC(=O)N1CCC(C2N(C(=O)C3=CC(=O)[N-]O3)CC2(C)C)CC1	REAL300029386798	0	60	0.0	-64.95	433.52	6.29	-58.66
CC[N@H+](C)CCC(=O)N1CCC(C2N(C(=O)C3=CC(=O)[N-]O3)CC2(C)C)CC1	REAL300029386860	0	60	0.0	-68.79	438.10	6.24	-62.55
CC[N@@H+](C)CCC(=O)N1CCC(C2N(C(=O)C3=CC(=O)[N-]O3)CC2(C)C)CC1	REAL300029386860	1	60	0.0	-68.74	438.10	6.25	-62.49
CC[C@@H](C(=O)N1CCC(C2N(C(=O)C3=CC(=O)[N-]O3)CC2(C)C)CC1)[NH+](C)C	REAL300029386863	0	60	0.0	-63.99	424.56	5.90	-58.09
C[NH+](C)CC(=O)N1CCC(C2N(C(=O)C3=CC(=O)[N-]O3)CC2(C)C)CC1	REAL300029386883	0	54	0.0	-67.57	398.01	4.98	-62.59
CC(C(=O)N1CCC(C2N(C(=O)C3=CC(=O)[N-]O3)CC2(C)C)CC1)[NH+]1CCC1	REAL300029386888	0	58	0.0	-64.44	425.24	5.85	-58.59
C[N@H+](CC(=O)N1CCC(C2N(C(=O)C3=CC(=O)[N-]O3)CC2(C)C)CC1)C1CC1	REAL300029386895	0	58	0.0	-64.16	427.28	6.39	-57.77
C[N@@H+](CC(=O)N1CCC(C2N(C(=O)C3=CC(=O)[N-]O3)CC2(C)C)CC1)C1CC1	REAL300029386895	1	58	0.0	-64.50	427.43	6.39	-58.11
C[NH+]1CC(CC(=O)N2CCC(C3N(C(=O)C4=CC(=O)[N-]O4)CC3(C)C)CC2)C1	REAL300029386901	0	58	0.0	-69.23	429.30	5.85	-63.38
C[C@@H](C(=O)N1CCC(C2N(C(=O)C3=CC(=O)[N-]O3)CC2(C)C)CC1)[NH+](C)C	REAL300029386910	0	57	0.0	-65.18	414.55	5.41	-59.77
C[C@@H](C(=O)N1CCC(C2N(C(=O)C3=CC(=O)[N-]O3)CC2(C)C)CC1)[NH+](C)C	REAL300029386935	0	57	0.0	-65.18	414.55	5.41	-59.77
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1C1CCN(C(=O)C[NH+]2CCC2)CC1	REAL300029386955	1	55	0.0	-67.06	408.11	5.40	-61.66
C[C@H](C(=O)N1CCC(C2N(C(=O)C3=CC(=O)[N-]O3)CC2(C)C)CC1)[NH+](C)C	REAL300029386968	0	57	0.0	-66.20	413.70	5.37	-60.83
CC1C[NH+](CC(=O)N2CCC(C3N(C(=O)C4=CC(=O)[N-]O4)CC3(C)C)CC2)C1	REAL300029386976	1	58	0.0	-66.60	429.31	6.07	-60.53
C[N@H+](CCO)CC(=O)N1CCC(C2N(C(=O)C3=CC(=O)[N-]O3)CC2(C)C)CC1	REAL300029386987	1	58	0.0	-67.15	426.08	2.41	-64.74
C[N@@H+](CCO)CC(=O)N1CCC(C2N(C(=O)C3=CC(=O)[N-]O3)CC2(C)C)CC1	REAL300029386987	1	58	0.0	-66.94	426.07	2.43	-64.51
CC[N@H+](C)CC(=O)N1CCC(C2N(C(=O)C3=CC(=O)[N-]O3)CC2(C)C)CC1	REAL300029386995	0	57	0.0	-66.53	415.74	5.65	-60.88
CC[N@@H+](C)CC(=O)N1CCC(C2N(C(=O)C3=CC(=O)[N-]O3)CC2(C)C)CC1	REAL300029386995	1	57	0.0	-66.44	415.73	5.65	-60.79
C[NH+](C)CC=CC(=O)N1CCC(C2N(C(=O)C3=CC(=O)[N-]O3)CC2(C)C)CC1	REAL300029387016	0	58	0.0	-72.10	432.75	6.18	-65.92
CC[N@@H+]1CCC1C(=O)N1CCC(C2N(C(=O)C3=CC(=O)[N-]O3)CC2(C)C)CC1	REAL300029387023	0	58	0.0	-66.11	428.48	5.92	-60.19
CC[N@H+]1CCC1C(=O)N1CCC(C2N(C(=O)C3=CC(=O)[N-]O3)CC2(C)C)CC1	REAL300029387023	1	58	0.0	-65.75	429.08	5.99	-59.76
C[NH+](C)C(C)(C)C(=O)N1CCC(C2N(C(=O)C3=CC(=O)[N-]O3)CC2(C)C)CC1	REAL300029387039	0	60	0.0	-78.83	419.16	5.54	-73.29
C[NH+](C)C1(C(=O)N2CCC(C3N(C(=O)C4=CC(=O)[N-]O4)CC3(C)C)CC2)CC1	REAL300029387067	0	58	0.0	-67.64	416.71	5.46	-62.18
CC(C[NH+](C)C)C(=O)N1CCC(C2N(C(=O)C3=CC(=O)[N-]O3)CC2(C)C)CC1	REAL300029387090	0	60	0.0	-71.19	436.26	6.12	-65.07
CC1CC[N@@H+]1CC(=O)N1CCC(C2N(C(=O)C3=CC(=O)[N-]O3)CC2(C)C)CC1	REAL300029387102	0	58	0.0	-77.20	429.33	6.11	-71.09
CC1CC[N@H+]1CC(=O)N1CCC(C2N(C(=O)C3=CC(=O)[N-]O3)CC2(C)C)CC1	REAL300029387102	1	58	0.0	-64.93	423.67	5.85	-59.08
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1C1CCN(C(=O)CSC(N)=[NH2+])CC1	REAL300029387128	0	52	0.0	-68.22	406.53	1.94	-66.28
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C2N(C(=O)C3=CC(=O)[N-]O3)CC2(C)C)CC1	REAL300029387161	0	58	0.0	-74.62	422.57	5.87	-68.75
C[N@H+]1CCC[C@H]1C(=O)N1CCC(C2N(C(=O)C3=CC(=O)[N-]O3)CC2(C)C)CC1	REAL300029387161	1	58	0.0	-67.63	421.04	5.93	-61.70
C[N@@H+]1CCCC1C(=O)N1CC(C)(C)C1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029387283	0	58	0.0	-69.98	416.61	5.65	-64.33
C[N@H+]1CCCC1C(=O)N1CC(C)(C)C1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029387283	1	58	0.0	-69.69	421.76	5.92	-63.77
CCC(C(=O)N1CC(C)(C)C1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029387373	0	60	0.0	-68.60	427.98	5.98	-62.62
CCC[N@H+](C)CC(=O)N1CC(C)(C)C1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029387376	0	60	0.0	-71.78	435.57	6.23	-65.55
CCC[N@@H+](C)CC(=O)N1CC(C)(C)C1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029387376	1	60	0.0	-71.62	435.58	6.24	-65.38
CC[N@H+](C)CCC(=O)N1CC(C)(C)C1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029387393	0	60	0.0	-73.46	436.44	6.03	-67.43
CC[N@@H+](C)CCC(=O)N1CC(C)(C)C1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029387393	1	60	0.0	-73.53	436.44	6.04	-67.49
CC[C@@H](C(=O)N1CC(C)(C)C1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029387421	0	60	0.0	-69.22	424.39	5.70	-63.52
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(C)(C)C1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029387463	0	58	0.0	-70.96	415.90	5.46	-65.50
C[N@H+]1CCC[C@@H]1C(=O)N1CC(C)(C)C1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029387463	1	58	0.0	-71.64	426.76	6.26	-65.38
C[C@@H](C(=O)N1CC(C)(C)C1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029387517	0	57	0.0	-70.77	414.10	5.31	-65.46
C[N@H+](CCO)CC(=O)N1CC(C)(C)C1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029387529	1	58	0.0	-72.02	424.43	2.26	-69.76
C[N@@H+](CCO)CC(=O)N1CC(C)(C)C1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029387529	1	58	0.0	-72.37	424.49	2.28	-70.09
CC1C[NH+](CC(=O)N2CC(C)(C)C2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029387550	1	58	0.0	-75.38	431.33	6.42	-68.96
CC[N@H+](C)CC(=O)N1CC(C)(C)C1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029387566	0	57	0.0	-71.48	414.08	5.49	-65.99
CC[N@@H+](C)CC(=O)N1CC(C)(C)C1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029387566	1	57	0.0	-61.86	416.41	6.11	-55.75
CC(C[NH+](C)C)C(=O)N1CC(C)(C)C1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029387597	0	60	0.0	-73.67	432.15	5.83	-67.84
C[C@H](C(=O)N1CC(C)(C)C1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029387602	0	57	0.0	-70.11	414.13	5.27	-64.84
CC[N@@H+]1CCC1C(=O)N1CC(C)(C)C1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029387605	1	58	0.0	-69.99	420.73	5.45	-64.54
CC[N@H+]1CCC1C(=O)N1CC(C)(C)C1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029387605	1	58	0.0	-68.63	430.31	6.57	-62.06
CC1(C)CN(C(=O)C2=C[NH+]=CC=C2N)C1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029387612	0	54	0.0	-73.91	403.58	2.73	-71.18
C[N@@H+]1CCC[C@H]1C(=O)N1CC(C)(C)C1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029387676	0	58	0.0	-68.52	419.89	5.87	-62.65
C[N@H+]1CCC[C@H]1C(=O)N1CC(C)(C)C1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029387676	1	58	0.0	-73.84	416.28	5.65	-68.19
C[N@H+](CC(=O)N1CC(C)(C)C1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029387716	0	58	0.0	-68.66	425.59	6.22	-62.44
C[N@@H+](CC(=O)N1CC(C)(C)C1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029387716	1	58	0.0	-71.82	430.65	6.68	-65.14
C[NH+]1CC(CC(=O)N2CC(C)(C)C2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029387743	0	58	0.0	-73.00	427.70	5.64	-67.36
C[NH+](C)CC(=O)N1CC(C)(C)C1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029387748	0	54	0.0	-71.94	396.32	4.83	-67.11
C[C@@H](C(=O)N1CC(C)(C)C1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029387753	0	57	0.0	-70.77	414.10	5.31	-65.46
CC1CC[N@@H+]1CC(=O)N1CC(C)(C)C1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029387760	1	58	0.0	-66.31	429.85	6.57	-59.74
CC1CC[N@H+]1CC(=O)N1CC(C)(C)C1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029387760	1	58	0.0	-69.09	422.73	5.68	-63.41
C[NH+](C)CC=CC(=O)N1CC(C)(C)C1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029387761	0	58	0.0	-76.09	433.44	6.05	-70.04
CC[NH+](CC)CC(=O)N1CC(C)(C)C1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029387770	0	60	0.0	-70.22	432.02	6.16	-64.06
CC1(C)CN(C(=O)C[NH+]2CCC2)C1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029387773	1	55	0.0	-72.10	406.98	5.41	-66.69
CC(C(=O)N1CC(C)(C)C1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC1	REAL300029387791	1	58	0.0	-66.10	423.60	6.22	-59.88
C[N@@H+]1CCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029387985	0	48	0.0	-68.78	366.53	3.63	-65.15
C[N@H+]1CCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029387985	1	48	0.0	-72.14	359.13	2.74	-69.40
C[N@@H+]1CCOC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029388009	1	49	0.0	-77.19	377.39	2.89	-74.30
C[N@H+]1CCOC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029388009	1	49	0.0	-74.11	369.52	2.62	-71.49
CC(C)C1=[NH+]C=CN1CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029388187	1	55	0.0	-65.01	425.60	5.60	-59.41
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+]1CCCCCC1	REAL300029388191	0	57	0.0	-69.67	409.07	4.63	-65.04
CC(C)[N@@H+]1CCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029388222	0	54	0.0	-65.08	397.74	4.33	-60.75
CC(C)[N@H+]1CCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029388222	1	54	0.0	-70.81	391.41	4.41	-66.40
CC1(C)C(NC(=O)C2CC3CCCC[N@@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029388244	0	55	0.0	-70.27	406.97	5.04	-65.23
CC1(C)C(NC(=O)C2CC3CCCC[N@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029388244	1	55	0.0	-70.17	408.45	5.34	-64.83
CC(C)C1=[NH+]C=CN1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029388272	1	52	0.0	-68.47	404.85	4.92	-63.55
CC1=[NH+]C=CN1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029388316	1	46	0.0	-67.01	367.75	3.90	-63.11
CC(C[NH+]1CCOCC1)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029388318	0	55	0.0	-75.14	410.52	2.90	-72.24
CC1(C)C(NC(=O)CCC[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029388336	0	57	0.0	-70.64	424.37	5.53	-65.11
CC1(C)C(NC(=O)C2C[NH+]3CCC2CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029388377	0	52	0.0	-76.86	380.30	3.98	-72.88
CC1(C)C(NC(=O)C2CCCC3CCC[N@@H+]32)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029388430	0	55	0.0	-66.48	396.07	4.87	-61.61
CC1(C)C(NC(=O)C2CCCC3CCC[N@H+]32)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029388430	1	55	0.0	-66.47	396.00	4.91	-61.56
C[NH+](C)CCN1C=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C=N1	REAL300029388432	0	54	0.0	-79.16	423.53	3.69	-75.47
C[NH+](C)CCN1C=CC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)=N1	REAL300029388445	0	54	0.0	-76.01	424.86	3.96	-72.05
C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC[N@@H+]1C	REAL300029388452	0	51	0.0	-76.21	375.70	3.16	-73.05
C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC[N@H+]1C	REAL300029388452	1	51	0.0	-73.63	381.56	3.66	-69.97
CCC1=[NH+]C=CN1C(C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029388454	1	55	0.0	-65.15	426.14	5.65	-59.50
CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC[N@@H+]1C	REAL300029388457	0	54	0.0	-70.38	396.19	3.99	-66.39
CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC[N@H+]1C	REAL300029388457	1	54	0.0	-73.29	400.92	4.26	-69.03
CC[N@@H+]1CCOC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029388479	1	52	0.0	-74.34	387.18	3.11	-71.23
CC[N@H+]1CCOC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029388479	1	52	0.0	-76.03	386.80	3.27	-72.76
CC[NH+](CC)CC(F)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029388527	0	53	0.0	-70.35	398.08	4.04	-66.31
CC1CCC(C)[NH+]1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029388612	0	54	0.0	-66.42	397.35	4.21	-62.21
CC1(C)C(NC(=O)CCC[NH+]2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029388619	0	54	0.0	-73.14	408.86	4.76	-68.38
C[NH+](C)CC1=CC=CC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)=C1	REAL300029388620	0	54	0.0	-72.51	417.49	5.82	-66.69
C#CC[NH+]1CCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029388625	0	53	0.0	-77.42	409.01	5.04	-72.38
CC1(C)C(NC(=O)CC[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029388626	0	54	0.0	-70.91	403.33	4.76	-66.15
CC(C)C[N@@H+]1CCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029388660	0	57	0.0	-71.62	423.57	5.36	-66.26
CC(C)C[N@H+]1CCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029388660	1	57	0.0	-69.64	424.72	5.27	-64.37
CC(C)[N@@H+]1CCCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029388669	0	57	0.0	-68.20	410.65	4.63	-63.57
CC(C)[N@H+]1CCCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029388669	1	57	0.0	-66.54	409.51	4.32	-62.22
C[N@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)C1CCC1	REAL300029388738	0	51	0.0	-68.80	385.56	4.29	-64.51
C[N@@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)C1CCC1	REAL300029388738	1	51	0.0	-69.21	385.38	4.30	-64.91
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+]1C(C)CCC1C	REAL300029388805	0	57	0.0	-66.03	401.69	4.10	-61.93
CN(CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)C1=CC=[NH+]C=C1	REAL300029388873	0	53	0.0	-67.77	413.82	3.98	-63.79
C[N@@H+]1CCCC1CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029388893	0	54	0.0	-71.74	406.78	4.82	-66.92
C[N@H+]1CCCC1CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029388893	1	54	0.0	-71.86	401.02	4.22	-67.64
CC1(C)C(NC(=O)C2CCC3CCCC[N@@H+]32)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029388909	0	55	0.0	-64.75	407.20	5.27	-59.48
CC1(C)C(NC(=O)C2CCC3CCCC[N@H+]32)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029388909	1	55	0.0	-65.06	406.82	5.22	-59.84
CC1(C)C(NC(=O)CCCC[NH+]2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029388934	0	57	0.0	-70.29	430.67	5.65	-64.64
C[N@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)CC1=CC=CC=C1	REAL300029388937	1	54	0.0	-78.55	415.75	5.78	-72.77
C[N@@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)CC1=CC=CC=C1	REAL300029388937	1	54	0.0	-75.11	415.97	5.91	-69.20
C[NH+]1CCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029388952	0	51	0.0	-76.59	383.83	3.84	-72.75
C[NH+](C)CC1=CC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)=NO1	REAL300029388992	1	50	0.0	-79.12	398.37	3.22	-75.90
CC1=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C=CC2=C[NH+]=CN21	REAL300029388994	0	49	0.0	-71.35	391.67	6.04	-65.31
CC1(C)C(NC(=O)C2=CN3C=[NH+]C=C3C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029389182	0	46	0.0	-70.45	369.51	5.83	-64.62
CC1=[NH+]C=CN1CCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029389195	1	52	0.0	-67.53	410.24	5.22	-62.31
CC1(C)C(NC(=O)CCCC[NH+]2CCOCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029389199	1	58	0.0	-73.65	437.60	3.93	-69.72
C[NH+](C)CC1=CC=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C=C1	REAL300029389203	0	54	0.0	-74.66	417.49	5.80	-68.86
CC1(C)C(NC(=O)CC[NH+]2CCOCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029389204	1	52	0.0	-75.06	395.77	2.54	-72.52
CCC[NH+](CCC)CCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029389223	0	62	0.0	-71.85	456.91	6.27	-65.58
CC1=C[NH+]=CN1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029389241	1	46	0.0	-70.10	368.07	4.61	-65.49
CC1(C)C(NC(=O)CN2C=[NH+]C3=C2CCCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029389252	1	53	0.0	-68.53	410.86	6.39	-62.14
C[NH+](C)CC1(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CCCCC1	REAL300029389284	0	60	0.0	-73.65	419.98	6.04	-67.61
C[N@H+](CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)C1CCCCC1	REAL300029389288	0	60	0.0	-72.49	438.60	6.03	-66.46
C[N@@H+](CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)C1CCCCC1	REAL300029389288	1	60	0.0	-72.39	438.58	6.03	-66.36
C[NH+](C)C1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029389329	0	57	0.0	-66.72	411.62	4.99	-61.73
C[N@@H+]1CCC(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029389334	0	51	0.0	-71.78	386.12	3.90	-67.88
C[N@H+]1CCC(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029389334	1	51	0.0	-72.32	386.21	3.92	-68.40
CCC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](C)C	REAL300029389351	0	50	0.0	-67.92	369.23	3.36	-64.56
C[NH+](C)C1(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CCCC1	REAL300029389369	0	57	0.0	-71.98	403.19	4.74	-67.24
CC1(C)C(NC(=O)C2=CC3=C[NH+]=CN3C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029389422	1	46	0.0	-76.50	369.66	5.70	-70.80
CC1(C)C(NC(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029389459	1	49	0.0	-76.27	399.89	3.91	-72.36
C[NH+](C)CCCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029389486	0	53	0.0	-72.56	405.87	4.67	-67.89
CCC[N@H+](C)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029389505	0	53	0.0	-72.48	401.77	4.39	-68.09
CCC[N@@H+](C)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029389505	1	53	0.0	-72.51	401.77	4.39	-68.12
CCC[N@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029389509	0	50	0.0	-74.10	378.33	3.60	-70.50
CCC[N@@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029389509	1	50	0.0	-71.06	378.59	3.71	-67.35
CC1(C)C(NC(=O)C23CC[N@H+](C2)CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029389532	0	52	0.0	-78.53	379.88	3.55	-74.98
CC1(C)C(NC(=O)C23CC[N@@H+](C2)CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029389532	1	52	0.0	-76.42	379.36	3.65	-72.77
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029389585	0	48	0.0	-70.01	359.92	2.85	-67.16
C[N@H+]1CCC[C@@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029389585	1	48	0.0	-70.18	364.21	3.24	-66.94
CC1CC2CCC(C(=O)NC3CCN(C(=O)C4=CC(=O)[N-]O4)C3(C)C)C[N@@H+]2C1	REAL300029389609	0	58	0.0	-70.60	427.13	5.57	-65.03
CC1CC2CCC(C(=O)NC3CCN(C(=O)C4=CC(=O)[N-]O4)C3(C)C)C[N@H+]2C1	REAL300029389609	1	58	0.0	-66.19	421.45	5.77	-60.42
CCCCCC[N@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029389651	0	59	0.0	-72.17	443.09	6.06	-66.11
CCCCCC[N@@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029389651	1	59	0.0	-75.30	442.82	5.94	-69.36
CC[NH+](CC)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029389667	0	50	0.0	-69.32	370.93	3.41	-65.91
CCC[N@@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029389694	0	57	0.0	-72.34	422.82	5.21	-67.13
CCC[N@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029389694	1	57	0.0	-66.92	416.68	5.59	-61.33
CC(C)[N@@H+]1CCOC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029389710	1	55	0.0	-78.01	411.00	3.82	-74.19
CC(C)[N@H+]1CCOC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029389710	1	55	0.0	-78.67	410.95	3.83	-74.84
CC1CC[NH+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029389747	0	54	0.0	-74.32	401.83	4.67	-69.65
CC1(C)C(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029389772	1	49	0.0	-76.97	399.49	3.89	-73.08
C[NH+]1CCC(OCC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029389779	0	55	0.0	-74.75	420.14	4.53	-70.22
C[NH+](C)CC1(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029389794	0	51	0.0	-74.02	388.24	4.18	-69.84
CC1=[NH+]C=C2CCC(C(=O)NC3CCN(C(=O)C4=CC(=O)[N-]O4)C3(C)C)CN21	REAL300029389795	1	53	0.0	-64.35	406.88	5.06	-59.29
CC(C)[NH+]1CCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029389880	0	57	0.0	-73.82	414.50	4.80	-69.02
C[NH+]1CCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029389905	0	51	0.0	-76.59	383.83	3.84	-72.75
CCC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](CC)CC	REAL300029389941	0	56	0.0	-65.12	405.40	4.62	-60.50
CC[N@H+](C)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029390027	0	50	0.0	-71.40	379.43	3.54	-67.86
CC[N@@H+](C)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029390027	1	50	0.0	-71.79	380.29	3.65	-68.14
CC1CCC[N@@H+]1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029390087	0	51	0.0	-68.07	384.66	4.11	-63.96
CC1CCC[N@H+]1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029390087	1	51	0.0	-67.97	385.27	4.11	-63.86
CC1CC[N@H+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029390089	0	51	0.0	-70.31	384.68	4.08	-66.23
CC1CC[N@@H+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029390089	1	51	0.0	-70.06	384.79	3.98	-66.08
CC(C)(C)[N@@H+]1CCC(F)(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029390090	0	57	0.0	-68.47	420.80	4.52	-63.95
CC(C)(C)[N@H+]1CCC(F)(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029390090	1	57	0.0	-65.83	421.06	4.62	-61.21
CC1=[NH+]C=C2CC(C(=O)NC3CCN(C(=O)C4=CC(=O)[N-]O4)C3(C)C)CCN21	REAL300029390091	1	53	0.0	-70.07	408.34	4.94	-65.13
CC1(C)CC[N@H+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029390094	0	54	0.0	-70.27	404.77	4.56	-65.71
CC1(C)CC[N@@H+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029390094	1	54	0.0	-73.14	403.97	4.43	-68.71
C[N@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)CC(C)(C)C	REAL300029390095	0	56	0.0	-70.91	407.10	4.73	-66.18
C[N@@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)CC(C)(C)C	REAL300029390095	1	56	0.0	-73.55	409.24	4.76	-68.79
CC[C@@H](C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](C)C	REAL300029390104	0	50	0.0	-68.30	369.55	3.34	-64.96
CC(COCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+]1CCCC1	REAL300029390111	0	58	0.0	-69.40	439.09	5.29	-64.11
CC1(C)C(NC(=O)C2CC[NH+](CC3CC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029390188	0	58	0.0	-76.65	432.99	6.05	-70.60
C[NH+]1CCC(O)(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029390313	0	55	0.0	-68.44	407.01	2.70	-65.74
COCC[N@@H+]1CCCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029390319	0	58	0.0	-73.67	427.95	3.56	-70.11
COCC[N@H+]1CCCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029390319	1	58	0.0	-73.35	430.91	3.23	-70.12
C[NH+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029390326	0	44	0.0	-71.47	339.34	2.33	-69.14
CC1(C)C(NC(=O)C[NH+]2CCC(CO)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029390330	1	55	0.0	-75.65	412.66	1.36	-74.29
CC1(C)C(NC(=O)C[NH+]2CCCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029390334	0	54	0.0	-73.51	390.20	4.23	-69.28
CN1C=C[N+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)=C1	REAL300029390339	0	46	0.0	-67.94	370.60	5.81	-62.13
C[N@@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029390349	0	51	0.0	-71.19	383.83	4.00	-67.19
C[N@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029390349	1	51	0.0	-67.95	377.33	4.03	-63.92
CC1(C)C(NC(=O)C2CCC[N@@H+]2C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029390354	0	52	0.0	-64.85	396.12	4.75	-60.10
CC1(C)C(NC(=O)C2CCC[N@H+]2C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029390354	1	52	0.0	-68.11	391.63	4.56	-63.55
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+]1CCC1	REAL300029390384	1	48	0.0	-68.09	367.56	3.37	-64.72
CCC(CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)C[NH+](C)C	REAL300029390393	0	56	0.0	-67.05	415.26	4.92	-62.13
CC1(C)C(NC(=O)C[NH+]2CCC(O)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029390438	1	52	0.0	-78.51	392.07	0.71	-77.80
C[N@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)C1CC1	REAL300029390440	0	48	0.0	-68.58	369.45	3.84	-64.74
C[N@@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)C1CC1	REAL300029390440	1	48	0.0	-71.51	368.62	3.60	-67.91
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)N1CC[NH+](C)CC1	REAL300029390441	1	56	0.0	-70.13	412.60	2.16	-67.97
C[NH+]1CC(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029390464	0	48	0.0	-71.47	371.93	3.35	-68.12
CC1(C)C(NC(=O)C2CC[N@@H+]2C2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029390468	0	55	0.0	-68.96	405.10	4.87	-64.09
CC1(C)C(NC(=O)C2CC[N@H+]2C2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029390468	1	55	0.0	-71.87	404.34	4.64	-67.23
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029390475	0	54	0.0	-66.39	400.70	4.01	-62.38
CC(C)(C)[N@H+]1CCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029390475	1	54	0.0	-70.79	384.91	3.33	-67.46
CC1(C)C(NC(=O)C2CCN(C3=CC=[NH+]C=C3)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029390485	0	54	0.0	-68.51	416.10	2.87	-65.64
C[C@@H](C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](C)C	REAL300029390488	0	47	0.0	-69.37	357.45	2.73	-66.64
CCC1CCC[N@H+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029390532	0	57	0.0	-70.91	413.30	5.42	-65.49
CCC1CCC[N@@H+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029390532	1	57	0.0	-74.10	413.05	5.26	-68.84
C[NH+](C)CC1=CC=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)N1	REAL300029390540	0	52	0.0	-75.10	406.22	3.51	-71.59
C[NH+]1C2CCC1CC(CC(=O)NC1CCN(C(=O)C3=CC(=O)[N-]O3)C1(C)C)C2	REAL300029390552	0	58	0.0	-69.01	405.04	4.76	-64.25
CC1(C)C(NC(=O)CN2C=CSC2=[NH2+])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029390591	0	44	0.0	-69.51	366.16	2.37	-67.14
C[N@H+](CCO)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029390601	0	51	0.0	-71.59	390.62	0.43	-71.16
C[N@@H+](CCO)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029390601	1	51	0.0	-71.12	390.40	0.33	-70.79
C[C@@H](C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](C)C	REAL300029390602	0	47	0.0	-69.37	357.45	2.73	-66.64
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029390606	0	51	0.0	-68.75	372.61	3.84	-64.91
C[N@H+]1CCCC[C@@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029390606	1	51	0.0	-67.79	381.18	3.93	-63.86
CC1CN2CC[N@@H+]1CC2C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029390613	0	54	0.0	-71.33	389.43	1.22	-70.11
CC1CN2CC[N@H+]1CC2C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029390613	1	54	0.0	-73.93	390.72	1.22	-72.71
CC1(C)C(NC(=O)CC2=CC3=C[NH+]=CN3C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029390670	0	49	0.0	-69.69	393.77	6.49	-63.20
C[N@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)C1CCSC1	REAL300029390698	0	52	0.0	-76.72	398.62	4.57	-72.15
C[N@@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)C1CCSC1	REAL300029390698	1	52	0.0	-79.94	398.44	4.41	-75.53
C[NH+](C)CC1=CC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)=CC=N1	REAL300029390731	1	53	0.0	-70.07	413.49	4.37	-65.70
C[N@@H+]1CCC(=CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029390732	0	49	0.0	-75.70	377.87	3.76	-71.94
C[N@H+]1CCC(=CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029390732	1	49	0.0	-75.64	377.85	3.76	-71.88
CC1(C)C(NC(=O)C2C[NH+](C3CCCCC3)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029390756	0	58	0.0	-72.96	431.59	5.69	-67.27
C[NH+](C)CCOCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029390769	0	51	0.0	-71.33	396.37	3.59	-67.74
CCCCC[N@H+](C)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029390776	0	59	0.0	-73.47	444.77	5.95	-67.52
CCCCC[N@@H+](C)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029390776	1	59	0.0	-73.35	444.77	5.95	-67.40
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)O1	REAL300029390785	0	55	0.0	-70.46	418.20	4.25	-66.21
C=CCC(C)(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](C)C	REAL300029390797	0	54	0.0	-64.94	393.32	4.36	-60.58
C[S+](C)CCC(O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029390802	0	50	0.0	-70.11	404.19	1.99	-68.12
CN1CC[N@H+](C)CC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029390845	0	56	0.0	-70.10	408.82	2.54	-67.56
CN1CC[N@@H+](C)CC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029390845	1	56	0.0	-70.10	408.82	2.54	-67.56
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)N1CCCC(O)C1	REAL300029390846	0	55	0.0	-69.49	410.88	1.21	-68.28
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[N@@H+]1CCCC(O)C1	REAL300029390846	1	55	0.0	-68.18	410.72	1.17	-67.01
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[N@H+]1CCCC(O)C1	REAL300029390846	1	55	0.0	-68.18	410.72	1.17	-67.01
CC1(C)C(NC(=O)C2C[NH+](C3CCOC3)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029390849	0	53	0.0	-80.44	405.90	2.56	-77.88
CC1(C)C(NC(=O)C[NH+]2CCC(CO)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029390860	1	55	0.0	-75.65	412.66	1.36	-74.29
C[N@@H+]1CCCC(O)(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029390870	0	55	0.0	-68.02	400.08	2.44	-65.58
C[N@H+]1CCCC(O)(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029390870	1	55	0.0	-70.10	397.05	2.57	-67.53
CC1C[NH+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029390874	1	48	0.0	-70.82	370.30	3.41	-67.41
CC1(C)C(NC(=O)C[NH+]2CCC(C(N)=O)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029390878	1	55	0.0	-87.48	416.89	0.73	-86.75
C[N@H+](CCO)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029390902	1	48	0.0	-74.29	367.18	-0.38	-74.67
C[N@@H+](CCO)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029390902	1	48	0.0	-70.72	367.23	-0.27	-70.99
C[NH+]1C2CCC1CC(=CC(=O)NC1CCN(C(=O)C3=CC(=O)[N-]O3)C1(C)C)C2	REAL300029390921	0	56	0.0	-70.01	412.45	5.28	-64.73
CC1(C)C(NC(=O)C2C[N@@H+]3CCN2CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029390925	0	54	0.0	-77.47	387.15	1.53	-75.94
CC1(C)C(NC(=O)C2C[N@H+]3CCN2CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029390925	1	54	0.0	-81.38	385.94	1.99	-79.39
CC[N@@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029390932	0	54	0.0	-66.62	394.70	4.84	-61.78
CC[N@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029390932	1	54	0.0	-64.99	395.45	4.77	-60.22
CC(CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)C[NH+](C)C	REAL300029390934	0	53	0.0	-73.32	395.85	4.34	-68.98
CC[N@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029390949	0	47	0.0	-70.74	357.00	2.99	-67.75
CC[N@@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029390949	1	47	0.0	-70.66	357.09	2.97	-67.69
CC[N@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)C1CC1	REAL300029391004	0	51	0.0	-67.39	387.94	4.36	-63.03
CC[N@@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)C1CC1	REAL300029391004	1	51	0.0	-68.14	386.08	4.27	-63.87
CC[NH+](CC)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029391023	0	53	0.0	-70.49	397.28	4.25	-66.24
C[NH+]1CCC(=CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029391041	0	52	0.0	-71.18	392.91	4.62	-66.56
CC1(C)C(NC(=O)CCCC[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029391060	0	60	0.0	-70.43	445.89	6.31	-64.12
CC1(O)CC[N@H+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029391088	1	52	0.0	-74.20	395.41	0.61	-73.59
CC1(O)CC[N@@H+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029391088	1	52	0.0	-70.96	395.99	0.72	-70.24
C[NH+](C)CC=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029391098	0	48	0.0	-76.56	376.26	3.48	-73.08
CC(OCC[NH+](C)C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029391118	0	54	0.0	-69.02	414.93	4.06	-64.96
C[NH+](C)CCOCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029391129	0	54	0.0	-69.70	416.16	3.12	-66.58
COCC[N@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029391130	1	51	0.0	-70.51	389.48	2.13	-68.38
COCC[N@@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029391130	1	51	0.0	-74.56	389.43	2.02	-72.54
COCCCC[N@H+](C)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029391157	0	60	0.0	-76.25	456.94	4.24	-72.01
COCCCC[N@@H+](C)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029391157	1	60	0.0	-76.15	456.94	4.24	-71.91
CC(CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](C)C	REAL300029391180	0	53	0.0	-69.78	396.69	4.07	-65.71
CC[N@@H+]1CCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029391190	1	48	0.0	-68.35	364.42	3.04	-65.31
CC[N@H+]1CCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029391190	1	48	0.0	-71.51	363.56	2.87	-68.64
CC(C)[N@@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029391202	0	57	0.0	-66.32	411.74	5.17	-61.15
CC(C)[N@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029391202	1	57	0.0	-64.86	411.97	5.32	-59.54
CC1(C)C(NC(=O)C[N@@H+]2CCCC2CO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029391216	0	52	0.0	-67.07	385.19	0.87	-66.20
CC1(C)C(NC(=O)C[N@H+]2CCCC2CO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029391216	1	52	0.0	-69.23	393.34	0.83	-68.40
CC1(C)C(NC(=O)C2CC3CCCC[N@@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029391238	0	55	0.0	-70.27	406.97	5.04	-65.23
CC1(C)C(NC(=O)C2CC3CCCC[N@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029391238	1	55	0.0	-70.17	408.45	5.34	-64.83
C[NH+](C)CC1=CNC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)=C1	REAL300029391247	0	52	0.0	-72.37	405.73	3.66	-68.71
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+]1CCC(O)CC1	REAL300029391263	1	55	0.0	-71.40	410.24	1.24	-70.16
C=CCC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](C)C	REAL300029391277	0	51	0.0	-67.84	383.22	3.81	-64.03
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029391289	0	54	0.0	-69.41	399.69	4.05	-65.36
C[N@H+]1CC(C)(C)CC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029391289	1	54	0.0	-67.94	405.60	4.53	-63.41
C[NH+](C)CCCCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029391294	0	56	0.0	-71.88	427.36	5.46	-66.42
CC1(C)C(NC(=O)C[NH+]2CC3CC3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029391305	0	49	0.0	-70.89	374.67	4.21	-66.68
CC1C[N@@H+]2CCN1C(C(=O)NC1CCN(C(=O)C3=CC(=O)[N-]O3)C1(C)C)C2	REAL300029391338	0	54	0.0	-78.79	391.95	1.27	-77.52
CC1C[N@H+]2CCN1C(C(=O)NC1CCN(C(=O)C3=CC(=O)[N-]O3)C1(C)C)C2	REAL300029391338	1	54	0.0	-79.53	392.13	1.22	-78.31
CCCC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](C)C	REAL300029391339	0	53	0.0	-68.76	391.17	4.11	-64.65
CC[NH+](CC)CCSCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029391380	0	57	0.0	-73.09	441.40	5.63	-67.46
C[N@@H+]1CCCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029391389	0	51	0.0	-68.13	371.98	3.73	-64.40
C[N@H+]1CCCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029391389	1	51	0.0	-68.25	371.90	3.75	-64.50
C[N@H+]1CC=C(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029391435	0	52	0.0	-70.00	398.46	4.66	-65.34
C[N@@H+]1CC=C(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029391435	1	52	0.0	-70.27	398.14	4.55	-65.72
CC1(C)C(NC(=O)CC2([NH+]3CCCC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029391443	0	55	0.0	-66.96	404.53	5.05	-61.91
CN(C)CC1=CC=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)O1	REAL300029391497	0	51	0.0	-72.22	402.83	4.05	-68.17
C[NH+](C)CC1=CC=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)O1	REAL300029391497	1	51	0.0	-72.22	402.83	4.05	-68.17
CC1(C)C(NC(=O)C=CC[NH+]2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029391517	0	52	0.0	-72.00	401.57	4.75	-67.25
CC1(C)C(NC(=O)C2CC[NH+](C3CC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029391540	0	55	0.0	-73.86	412.99	5.26	-68.60
CC1(C)C(NC(=O)CC[NH+]2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029391562	0	51	0.0	-71.18	386.08	3.95	-67.23
CC1(C)C(NC(=O)C[N@@H+]2CC3CCC2C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029391624	0	52	0.0	-69.49	383.09	4.24	-65.25
CC(C)[NH+]1CCC(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029391635	0	60	0.0	-67.48	437.68	6.00	-61.48
CC1(C)C(NC(=O)C=C2C[NH+]3CCC2CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029391680	0	53	0.0	-69.50	395.42	4.65	-64.85
CC(C[NH+](C)C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029391740	0	50	0.0	-71.19	377.68	3.61	-67.58
C[N@@H+]1CCCCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029391828	0	54	0.0	-72.66	397.68	4.54	-68.12
C[N@H+]1CCCCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029391828	1	54	0.0	-72.66	397.68	4.54	-68.12
CC1=C2C=C(C(=O)NC3CCN(C(=O)C4=CC(=O)[N-]O4)C3(C)C)C=CN2C=N1	REAL300029391846	0	49	0.0	-70.65	391.69	6.41	-64.24
CC1=C2C=C(C(=O)NC3CCN(C(=O)C4=CC(=O)[N-]O4)C3(C)C)C=CN2C=[NH+]1	REAL300029391846	1	49	0.0	-70.65	391.69	6.41	-64.24
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+]1CC(C)C1	REAL300029391847	1	51	0.0	-70.96	387.21	3.92	-67.04
CC1CC[N@@H+]1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029391851	1	48	0.0	-68.57	365.06	3.14	-65.43
CC1CC[N@H+]1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029391851	1	48	0.0	-69.27	370.59	3.41	-65.86
C[NH+](C)CC(O)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029391855	0	51	0.0	-74.28	391.94	1.35	-72.93
CC1C[N@H+](C)CC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)O1	REAL300029391887	1	52	0.0	-78.83	391.25	3.05	-75.78
CC1C[N@@H+](C)CC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)O1	REAL300029391887	1	52	0.0	-83.73	390.39	2.92	-80.81
CC1(C)C(NC(=O)CC[NH+]2CCC(O)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029391898	0	55	0.0	-74.85	413.99	1.38	-73.47
CCC[N@@H+]1CCCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029391901	0	57	0.0	-67.36	411.19	5.15	-62.21
CCC[N@H+]1CCCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029391901	1	57	0.0	-70.40	410.90	5.05	-65.35
CC[NH+]1CCN(CCC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029391906	0	59	0.0	-70.31	437.87	2.99	-67.32
CCN1CC[NH+](CCC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029391906	1	59	0.0	-72.30	437.95	2.99	-69.31
CC1(C)C(NC(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029391909	0	58	0.0	-71.41	410.67	5.27	-66.14
CC1(C)C(NC(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029391909	1	58	0.0	-65.23	414.58	5.79	-59.44
CC(C)C[NH+]1CCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029391952	0	60	0.0	-75.91	440.30	5.94	-69.97
C[NH+](C)C1CCN(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029391971	0	59	0.0	-71.83	432.58	2.90	-68.93
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029391992	0	51	0.0	-73.58	388.62	3.92	-69.66
CC(CC[NH+](C)C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029392000	0	53	0.0	-71.22	399.31	4.21	-67.01
C[N@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[C@@H]1CCC[C@H]1O	REAL300029392029	0	55	0.0	-67.75	409.45	1.60	-66.15
C[N@@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[C@@H]1CCC[C@H]1O	REAL300029392029	1	55	0.0	-69.13	410.02	1.70	-67.43
C[NH+]1CCN(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029392041	1	53	0.0	-71.04	398.77	1.82	-69.22
CC[NH+]1CCN(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029392050	0	56	0.0	-71.27	416.00	2.37	-68.90
CC1(C)C(NC(=O)CSC(N)=[NH2+])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029392076	0	42	0.0	-72.15	348.43	-0.52	-72.67
CC[N@@H+]1CCOCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029392119	0	55	0.0	-73.23	407.15	2.82	-70.41
CC1CCCC(C)[NH+]1CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029392135	0	60	0.0	-68.25	432.12	5.47	-62.78
C[NH+](C)C1CCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029392138	0	57	0.0	-70.04	411.54	4.86	-65.18
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029392142	0	57	0.0	-69.95	411.31	4.90	-65.05
C[N@@H+]1CC=CCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029392143	0	52	0.0	-66.36	385.64	4.29	-62.07
C[N@H+]1CC=CCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029392143	1	52	0.0	-66.36	385.64	4.29	-62.07
C[C@@H](OCC[NH+](C)C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029392168	0	54	0.0	-70.70	414.90	3.93	-66.77
C[NH+]1C2CCC1CC(C(=O)NC1CCN(C(=O)C3=CC(=O)[N-]O3)C1(C)C)C2	REAL300029392196	0	55	0.0	-71.34	378.47	4.49	-66.85
CC1(C)C(NC(=O)C2C[NH+](C3CCOCC3)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029392329	0	56	0.0	-74.72	423.44	3.33	-71.39
C[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029392339	1	48	0.0	-69.98	359.36	2.86	-67.12
CC1(C)C(NC(=O)CC[N@H+]2CCC(F)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029392348	1	51	0.0	-77.86	393.23	4.04	-73.82
CC1(C)C(NC(=O)CC[NH+]2CCCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029392368	0	57	0.0	-72.47	413.35	4.95	-67.52
CC1(C)C(NC(=O)C[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029392370	0	51	0.0	-73.61	380.78	4.09	-69.52
CC1C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC[N@@H+]1C	REAL300029392378	0	51	0.0	-71.67	376.46	3.51	-68.16
CC1C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC[N@H+]1C	REAL300029392378	1	51	0.0	-72.84	376.47	3.28	-69.56
C[N@@H+]1CCCCC1CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029392381	0	57	0.0	-71.30	413.27	5.05	-66.25
C[N@H+]1CCCCC1CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029392381	1	57	0.0	-71.10	413.86	5.04	-66.06
CC1(C)C(NC(=O)C2CC[N@@H+]3CCOCC23)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029392411	0	53	0.0	-74.89	397.67	2.64	-72.25
CC1(C)C(NC(=O)C2CC[N@H+]3CCOCC23)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029392411	1	53	0.0	-68.44	393.70	2.62	-65.82
CC1=[NH+]C=C2C=CC(C(=O)NC3CCN(C(=O)C4=CC(=O)[N-]O4)C3(C)C)=CN21	REAL300029392418	0	49	0.0	-66.38	390.93	5.61	-60.77
CN1CCOCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029392438	0	52	0.0	-69.03	382.58	1.98	-67.05
C[N@@H+]1CCOCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029392438	1	52	0.0	-78.96	389.69	2.02	-76.94
C[N@H+]1CCOCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029392438	1	52	0.0	-69.03	382.58	1.98	-67.05
CC1=C(C)[NH+]=C(CCC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)N1	REAL300029392449	1	52	0.0	-68.34	409.27	3.51	-64.83
CC(C)C[N@@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029392464	0	60	0.0	-66.39	431.45	6.19	-60.20
CC(C)C[N@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029392464	1	60	0.0	-69.84	439.69	6.08	-63.76
C[N@@H+]1CCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029392628	0	48	0.0	-67.47	360.68	2.94	-64.53
C[N@H+]1CCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029392628	1	48	0.0	-66.46	364.16	3.17	-63.29
CC1=[NH+]C=CN1CCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029392822	1	52	0.0	-69.20	412.64	5.40	-63.80
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCC[NH+]1CCOCC1	REAL300029392826	1	58	0.0	-71.92	440.66	4.01	-67.91
C[NH+](C)CC1=CC=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C=C1	REAL300029392830	0	54	0.0	-73.61	416.95	5.50	-68.11
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCOCC1	REAL300029392831	1	52	0.0	-71.89	397.66	2.43	-69.46
CCC[NH+](CCC)CCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029392850	0	62	0.0	-68.98	460.48	6.35	-62.63
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300029392878	1	46	0.0	-70.56	377.54	5.85	-64.71
C[NH+](C)C1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029392943	0	57	0.0	-63.46	410.23	4.78	-58.68
C[N@@H+]1CCC(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029392948	0	51	0.0	-69.32	389.29	4.01	-65.31
C[N@H+]1CCC(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029392948	1	51	0.0	-74.07	388.10	4.08	-69.99
CCC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](C)C	REAL300029392965	0	50	0.0	-65.03	369.73	3.25	-61.78
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300029392974	1	49	0.0	-76.52	399.33	4.07	-72.45
CC1CC2CCC(C(=O)N3CCC(NC(=O)C4=CC(=O)[N-]O4)C3(C)C)C[N@@H+]2C1	REAL300029393017	0	58	0.0	-61.12	423.07	5.79	-55.33
CC1CC2CCC(C(=O)N3CCC(NC(=O)C4=CC(=O)[N-]O4)C3(C)C)C[N@H+]2C1	REAL300029393017	1	58	0.0	-67.23	426.68	5.55	-61.68
C[NH+](C)CCCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029393046	0	53	0.0	-70.07	407.76	4.55	-65.52
CCC[N@H+](C)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029393067	0	53	0.0	-69.94	403.98	4.36	-65.58
CCC[N@@H+](C)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029393067	1	53	0.0	-70.02	403.98	4.38	-65.64
CCC[N@H+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029393071	0	50	0.0	-67.70	381.53	3.81	-63.89
CCC[N@@H+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029393071	1	50	0.0	-67.83	381.53	3.80	-64.03
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C12CC[N@H+](C1)CCC2	REAL300029393094	0	52	0.0	-73.29	374.45	3.27	-70.02
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300029393094	1	52	0.0	-69.69	375.20	3.27	-66.42
CCCCCC[N@H+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029393133	0	59	0.0	-68.98	446.02	6.15	-62.83
CCCCCC[N@@H+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029393133	1	59	0.0	-68.98	446.02	6.14	-62.84
CC1CC[NH+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029393179	0	54	0.0	-67.85	405.67	4.90	-62.95
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300029393204	1	49	0.0	-74.68	396.50	3.47	-71.21
C[NH+]1CCC(OCC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029393211	0	55	0.0	-73.79	422.35	4.46	-69.33
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCCC[N@@H+]2C1	REAL300029393269	0	55	0.0	-66.88	405.09	4.86	-62.02
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCCC[N@H+]2C1	REAL300029393269	1	55	0.0	-73.29	407.19	5.04	-68.25
C[NH+](C)CC1(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029393281	0	51	0.0	-68.78	389.16	3.96	-64.82
CC1=[NH+]C=C2CCC(C(=O)N3CCC(NC(=O)C4=CC(=O)[N-]O4)C3(C)C)CN21	REAL300029393282	1	53	0.0	-64.37	405.51	4.71	-59.66
CC(C)[NH+]1CCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029393292	0	57	0.0	-68.67	416.77	4.99	-63.68
CC[N@H+](C)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029393326	0	50	0.0	-69.16	382.49	3.62	-65.54
CC[N@@H+](C)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029393326	1	50	0.0	-73.52	381.76	3.71	-69.81
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[NH+]2CCC1CC2	REAL300029393371	0	52	0.0	-74.33	379.25	3.95	-70.38
C[NH+]1CCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029393453	0	51	0.0	-71.09	382.45	3.81	-67.28
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[NH+](CC2CC2)CC1	REAL300029393540	0	58	0.0	-71.25	431.68	6.00	-65.25
CC[NH+](CC)CC(F)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029393583	0	53	0.0	-66.24	404.59	4.38	-61.86
CC(C)C[N@@H+]1CCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029393617	0	57	0.0	-68.20	426.05	5.28	-62.92
CC(C)C[N@H+]1CCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029393617	1	57	0.0	-72.22	426.06	5.15	-67.07
CCC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](CC)CC	REAL300029393646	0	56	0.0	-63.58	402.33	4.80	-58.78
CC1CCC[N@@H+]1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029393671	0	51	0.0	-64.87	387.66	4.18	-60.69
CC1CCC[N@H+]1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029393671	1	51	0.0	-66.41	380.65	3.68	-62.73
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029393748	1	55	0.0	-62.24	427.80	5.57	-56.67
CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+]1CCCCCC1	REAL300029393752	0	57	0.0	-62.93	410.63	4.73	-58.20
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029393783	0	54	0.0	-67.32	386.74	4.50	-62.82
CC(C)[N@H+]1CCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029393783	1	54	0.0	-62.29	397.41	4.26	-58.03
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029393792	0	57	0.0	-59.51	411.78	4.99	-54.52
CC(C)[N@H+]1CCCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029393792	1	57	0.0	-63.81	410.64	4.57	-59.24
CC1CC[N@H+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029393838	0	51	0.0	-70.51	387.86	4.12	-66.39
CC1CC[N@@H+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029393838	1	51	0.0	-70.30	387.05	4.13	-66.17
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029393839	0	57	0.0	-62.31	420.88	4.60	-57.71
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029393839	1	57	0.0	-65.30	420.93	4.56	-60.74
CC1=[NH+]C=C2CC(C(=O)N3CCC(NC(=O)C4=CC(=O)[N-]O4)C3(C)C)CCN21	REAL300029393840	1	53	0.0	-66.91	411.65	4.94	-61.97
CC1(C)CC[N@H+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029393843	0	54	0.0	-66.69	407.79	4.67	-62.02
CC1(C)CC[N@@H+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029393843	1	54	0.0	-69.08	407.25	4.52	-64.56
C[N@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)CC(C)(C)C	REAL300029393844	0	56	0.0	-67.08	411.92	4.88	-62.20
C[N@@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)CC(C)(C)C	REAL300029393844	1	56	0.0	-67.38	412.42	4.99	-62.39
CC[C@@H](C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](C)C	REAL300029393853	0	50	0.0	-65.17	369.95	3.26	-61.91
CC(COCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+]1CCCC1	REAL300029393860	0	58	0.0	-66.42	440.98	5.12	-61.30
CN(CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)C1=CC=[NH+]C=C1	REAL300029394005	0	53	0.0	-70.93	416.40	4.16	-66.77
CC1=[NH+]C=CN1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029394113	1	46	0.0	-63.68	371.73	4.01	-59.67
CC(C[NH+]1CCOCC1)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029394115	1	55	0.0	-70.10	409.37	2.82	-67.28
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC[NH+]1CCCCC1	REAL300029394133	0	57	0.0	-72.84	426.71	5.70	-67.14
C[NH+](C)CC1=CC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)=NO1	REAL300029394148	1	50	0.0	-74.56	398.48	3.66	-70.90
CC1=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C=CC2=C[NH+]=CN21	REAL300029394150	0	49	0.0	-70.09	392.18	6.15	-63.94
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029394196	1	52	0.0	-62.47	407.94	5.13	-57.34
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300029394243	0	55	0.0	-62.86	398.77	4.87	-57.99
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCCC2CCC[N@H+]21	REAL300029394243	1	55	0.0	-62.92	398.73	4.87	-58.05
CC[N@@H+]1CCOC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029394274	1	52	0.0	-73.37	392.92	3.21	-70.16
CC[N@H+]1CCOC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029394274	1	52	0.0	-75.95	393.59	3.28	-72.67
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300029394336	0	46	0.0	-68.24	367.29	5.48	-62.76
CC1=C[NH+]=CN1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029394341	1	46	0.0	-67.40	372.06	4.74	-62.66
C[NH+](C)CCN1C=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C=N1	REAL300029394346	0	54	0.0	-74.74	421.51	3.52	-71.22
C[NH+](C)CCN1C=CC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)=N1	REAL300029394359	0	54	0.0	-76.53	424.32	4.14	-72.39
C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC[N@@H+]1C	REAL300029394366	0	51	0.0	-70.47	379.72	3.71	-66.76
C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC[N@H+]1C	REAL300029394366	1	51	0.0	-67.28	382.73	4.00	-63.28
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029394368	1	55	0.0	-62.38	428.34	5.63	-56.75
CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC[N@@H+]1C	REAL300029394371	0	54	0.0	-71.63	395.22	3.81	-67.82
CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC[N@H+]1C	REAL300029394371	1	54	0.0	-67.59	402.03	4.28	-63.31
CC1CCC(C)[NH+]1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029394387	0	54	0.0	-63.68	399.81	4.42	-59.26
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC[NH+]1CCCC1	REAL300029394394	0	54	0.0	-68.41	412.11	4.96	-63.45
C[NH+](C)CC1=CC=CC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)=C1	REAL300029394395	0	54	0.0	-70.17	415.69	5.47	-64.70
C#CC[NH+]1CCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029394401	0	53	0.0	-72.48	407.12	4.96	-67.52
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCCCC1	REAL300029394402	0	54	0.0	-72.91	405.20	4.89	-68.02
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1C=[NH+]C2=C1CCCC2	REAL300029394420	1	53	0.0	-66.64	413.89	6.47	-60.17
C[NH+](C)CC1(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)CCCCC1	REAL300029394453	0	60	0.0	-70.66	418.05	5.13	-65.53
C[N@H+](CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)C1CCCCC1	REAL300029394457	0	60	0.0	-69.70	440.80	6.01	-63.69
C[N@@H+](CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)C1CCCCC1	REAL300029394457	1	60	0.0	-70.11	440.80	6.02	-64.09
C[NH+](C)C1(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)CCCC1	REAL300029394460	0	57	0.0	-70.40	406.12	4.87	-65.53
C[N@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)C1CCC1	REAL300029394657	0	51	0.0	-65.35	388.39	4.38	-60.97
C[N@@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)C1CCC1	REAL300029394657	1	51	0.0	-65.96	388.53	4.39	-61.57
CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+]1C(C)CCC1C	REAL300029394682	0	57	0.0	-61.10	407.41	4.53	-56.57
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCC[NH+]1CCCC1	REAL300029394701	0	57	0.0	-68.75	433.61	5.74	-63.01
C[N@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)CC1=CC=CC=C1	REAL300029394704	1	54	0.0	-71.78	418.95	5.98	-65.80
C[N@@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)CC1=CC=CC=C1	REAL300029394704	1	54	0.0	-71.96	419.01	5.99	-65.97
C[NH+]1CCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029394719	0	51	0.0	-71.09	382.45	3.81	-67.28
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029394771	0	48	0.0	-64.77	360.97	2.91	-61.86
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029394771	1	48	0.0	-68.34	366.80	3.31	-65.03
C[N@@H+]1CCCC1CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029394802	0	54	0.0	-71.34	409.66	4.94	-66.40
C[N@H+]1CCCC1CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029394802	1	54	0.0	-70.87	403.41	4.48	-66.39
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300029394818	0	55	0.0	-61.89	406.13	5.22	-56.67
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC2CCCC[N@H+]21	REAL300029394818	1	55	0.0	-63.68	408.88	5.34	-58.34
CCC[N@@H+]1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029394895	0	57	0.0	-63.99	415.29	5.17	-58.82
CCC[N@H+]1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029394895	1	57	0.0	-70.49	425.75	5.23	-65.26
CC(C)[N@@H+]1CCOC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029394911	1	55	0.0	-71.79	409.67	3.74	-68.05
CC(C)[N@H+]1CCOC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029394911	1	55	0.0	-71.52	410.22	3.74	-67.78
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCC(CO)CC1	REAL300029394985	0	55	0.0	-72.76	415.53	1.61	-71.15
C[NH+]1C2CCC1CC(=CC(=O)N1CCC(NC(=O)C3=CC(=O)[N-]O3)C1(C)C)C2	REAL300029395022	0	56	0.0	-68.01	414.49	5.36	-62.65
CC1C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC[N@@H+]1C	REAL300029395040	0	51	0.0	-73.81	377.52	3.27	-70.54
CC1C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC[N@H+]1C	REAL300029395040	1	51	0.0	-69.42	383.70	3.96	-65.46
C[N@@H+]1CCCCC1CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029395044	0	57	0.0	-67.64	423.34	5.36	-62.28
C[N@H+]1CCCCC1CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029395044	1	57	0.0	-71.34	422.55	5.48	-65.86
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=C(CCC2)[NH+]=C1N	REAL300029395077	1	51	0.0	-59.25	394.58	3.16	-56.09
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029395143	0	54	0.0	-65.73	382.01	3.47	-62.26
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029395143	1	54	0.0	-63.76	403.93	4.16	-59.60
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300029395161	0	54	0.0	-68.06	416.02	2.71	-65.35
C[C@@H](C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](C)C	REAL300029395166	0	47	0.0	-66.64	358.93	2.75	-63.89
C[NH+](C)CC1=CC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)=CC=N1	REAL300029395186	1	53	0.0	-67.60	411.52	4.04	-63.56
C=CCC(C)(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](C)C	REAL300029395192	0	54	0.0	-66.02	383.61	4.18	-61.84
CC[NH+](CC)CCSCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029395225	0	57	0.0	-70.41	444.99	5.75	-64.66
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C(N)C2=CC=CC=C2[NH+]=C1	REAL300029395226	1	50	0.0	-61.30	392.74	2.53	-58.77
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCCC1	REAL300029395231	0	51	0.0	-68.71	390.72	4.15	-64.56
C[N@H+](CCO)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029395240	1	48	0.0	-68.64	370.38	-0.18	-68.82
C[N@@H+](CCO)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029395240	1	48	0.0	-68.35	370.06	-0.14	-68.49
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@@H+]2CCN1CCC2	REAL300029395278	0	54	0.0	-75.06	388.35	1.60	-73.46
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@H+]2CCN1CCC2	REAL300029395278	1	54	0.0	-77.29	384.71	1.86	-75.43
CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+]1CCSCC1	REAL300029395305	1	52	0.0	-67.50	398.78	4.29	-63.21
C[N@H+]1CC=C(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029395349	0	52	0.0	-67.51	401.44	4.75	-62.76
C[N@@H+]1CC=C(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029395349	1	52	0.0	-66.02	401.35	4.77	-61.25
C[S+](C)CCC(O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029395364	0	50	0.0	-68.82	402.89	1.71	-67.11
CN1CC[N@H+](C)CC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029395403	0	56	0.0	-67.69	408.52	2.09	-65.60
CN1CC[N@@H+](C)CC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029395403	1	56	0.0	-68.52	413.35	1.85	-66.67
CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)[N@@H+]1CCCC(O)C1	REAL300029395404	0	55	0.0	-66.51	411.84	1.16	-65.35
CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)[N@H+]1CCCC(O)C1	REAL300029395404	1	55	0.0	-66.87	409.35	1.29	-65.58
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029395443	0	55	0.0	-63.11	403.21	2.51	-60.60
C[N@H+]1CCCC(O)(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029395443	1	55	0.0	-65.07	412.22	2.70	-62.37
CC1C[NH+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029395449	1	48	0.0	-68.48	372.34	3.58	-64.90
CC[N@@H+]1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029395455	0	54	0.0	-66.39	404.65	4.59	-61.80
CC[N@H+]1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029395455	1	54	0.0	-61.51	393.89	4.60	-56.91
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC=C[NH+]=C1N	REAL300029395466	0	47	0.0	-63.48	376.54	2.22	-61.26
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@@H+]1C1CC1	REAL300029395479	0	52	0.0	-62.37	395.60	4.76	-57.61
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@H+]1C1CC1	REAL300029395479	1	52	0.0	-64.54	390.39	4.50	-60.04
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=CC[NH+]1CCCC1	REAL300029395529	0	52	0.0	-71.04	403.66	4.80	-66.24
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300029395554	0	55	0.0	-68.22	407.32	5.00	-63.22
CC[N@H+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029395599	0	47	0.0	-67.44	360.03	3.06	-64.38
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1CC2C=CC1C2	REAL300029395664	0	50	0.0	-66.01	380.99	4.17	-61.84
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CC2C=CC1C2	REAL300029395664	1	50	0.0	-67.82	381.48	4.27	-63.55
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+]1CC2C=CC1C2	REAL300029395664	1	50	0.0	-67.82	381.48	4.27	-63.55
CC1=CC=C(NCCC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)N=C1	REAL300029395687	0	53	0.0	-63.97	421.15	3.82	-60.15
CC1=CC=C(NCCC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)[NH+]=C1	REAL300029395687	1	53	0.0	-63.97	421.15	3.82	-60.15
CC(OCC[NH+](C)C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029395823	0	54	0.0	-64.49	414.34	3.90	-60.59
C[NH+](C)CCOCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029395835	0	54	0.0	-67.13	419.21	3.21	-63.92
COCCN(C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029395837	0	51	0.0	-67.24	392.42	2.23	-65.01
COCC[N@H+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029395837	1	51	0.0	-68.28	392.53	2.25	-66.03
COCC[N@@H+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029395837	1	51	0.0	-68.28	392.53	2.25	-66.03
CC(CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](C)C	REAL300029395844	0	53	0.0	-71.75	395.74	4.17	-67.58
C[NH+]1CCC(=CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029395869	0	52	0.0	-68.58	394.80	4.70	-63.88
CC[N@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)C1CC1	REAL300029395879	0	51	0.0	-64.32	391.22	4.42	-59.90
CC[N@@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)C1CC1	REAL300029395879	1	51	0.0	-64.85	388.76	4.37	-60.48
CC1C[N@@H+]2CCN1C(C(=O)N1CCC(NC(=O)C3=CC(=O)[N-]O3)C1(C)C)C2	REAL300029395890	0	54	0.0	-81.77	390.53	1.20	-80.57
CC1C[N@H+]2CCN1C(C(=O)N1CCC(NC(=O)C3=CC(=O)[N-]O3)C1(C)C)C2	REAL300029395890	1	54	0.0	-75.61	391.52	1.19	-74.42
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029395932	1	51	0.0	-66.88	406.42	3.05	-63.83
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CC2CCC1C2	REAL300029395940	0	52	0.0	-67.52	388.61	4.38	-63.14
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+]1CC2CCC1C2	REAL300029395940	1	52	0.0	-69.02	385.46	4.36	-64.66
CC(C)[NH+]1CCC(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029395954	0	60	0.0	-64.99	436.25	5.74	-59.25
CC(C[NH+](C)C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029395968	0	50	0.0	-63.59	382.29	3.50	-60.09
C[C@H](C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](C)C	REAL300029396008	0	47	0.0	-68.19	358.26	2.60	-65.59
CC[N@@H+]1CCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029396020	0	48	0.0	-65.38	366.21	3.10	-62.28
CC[N@H+]1CCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029396020	1	48	0.0	-65.46	365.34	3.00	-62.46
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029396033	0	57	0.0	-68.03	420.08	4.95	-63.08
CC(C)[N@H+]1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029396033	1	57	0.0	-70.11	416.18	4.98	-65.13
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029396051	0	56	0.0	-65.60	407.29	2.88	-62.72
C#CC[N@H+]1CCCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029396101	1	53	0.0	-65.60	407.65	5.01	-60.59
C#CC[N@@H+]1CCCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029396101	1	53	0.0	-62.96	408.27	5.15	-57.81
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029396104	1	50	0.0	-62.74	390.52	2.85	-59.89
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C[NH+]=CC=C1N	REAL300029396105	0	44	0.0	-70.22	350.00	0.21	-70.01
CCCC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](C)C	REAL300029396117	0	53	0.0	-64.31	391.85	4.06	-60.25
CC(CC[NH+](C)C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029396145	0	53	0.0	-69.44	398.09	3.97	-65.47
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300029396203	0	58	0.0	-69.81	414.37	5.04	-64.77
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300029396203	1	58	0.0	-60.65	416.86	5.75	-54.90
COCCCC[N@H+](C)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029396280	0	60	0.0	-73.72	459.15	4.21	-69.51
COCCCC[N@@H+](C)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029396280	1	60	0.0	-73.83	459.16	4.23	-69.60
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029396290	0	54	0.0	-64.03	399.47	4.19	-59.84
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029396290	1	54	0.0	-67.05	400.26	3.95	-63.10
C[NH+](C)CCCCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029396296	0	56	0.0	-69.40	429.25	5.33	-64.07
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCC(O)CC1	REAL300029396301	0	55	0.0	-72.15	417.03	1.47	-70.68
CCC[N@@H+]1CCCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029396306	0	57	0.0	-64.98	421.90	5.23	-59.75
CCC[N@H+]1CCCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029396306	1	57	0.0	-65.17	421.98	5.20	-59.97
CC[NH+]1CCN(CCC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029396315	0	59	0.0	-68.20	440.39	3.04	-65.16
CCN1CC[NH+](CCC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029396315	1	59	0.0	-69.93	441.00	3.08	-66.85
C[NH+]1CCN(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029396319	1	53	0.0	-69.42	401.07	1.76	-67.66
CC(C)C[NH+]1CCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029396443	0	60	0.0	-70.68	439.04	5.90	-64.78
CC1C[N@H+](C)CC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)O1	REAL300029396446	1	52	0.0	-81.15	395.97	3.20	-77.95
CC1C[N@@H+](C)CC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)O1	REAL300029396446	1	52	0.0	-79.03	389.75	2.95	-76.08
CCC1CCC[N@H+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029396482	0	57	0.0	-68.06	415.51	4.94	-63.12
CCC1CCC[N@@H+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029396482	1	57	0.0	-71.52	422.64	5.58	-65.94
C[NH+](C)CC1=CC=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)N1	REAL300029396492	0	52	0.0	-75.75	404.56	3.77	-71.98
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CC2CC2C1	REAL300029396514	0	49	0.0	-67.53	377.63	4.26	-63.27
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1([NH+]2CCCC2)CC1	REAL300029396532	0	55	0.0	-66.52	407.28	5.04	-61.48
CC([NH2+]C1(CO)CCCC1)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029396549	0	58	0.0	-66.68	427.76	0.47	-66.21
C[N@@H+]1CCCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029396578	0	51	0.0	-66.07	381.70	3.79	-62.28
C[N@H+]1CCCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029396578	1	51	0.0	-67.10	370.76	3.36	-63.74
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300029396584	1	55	0.0	-70.32	433.14	6.38	-63.94
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@H+]1CC1=CC=CC=C1	REAL300029396584	1	55	0.0	-70.34	433.18	6.33	-64.01
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029396591	0	60	0.0	-62.19	431.55	6.13	-56.06
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029396591	1	60	0.0	-64.87	432.46	6.18	-58.69
C[NH+](C)C1CCN(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029396646	0	59	0.0	-68.50	435.62	3.08	-65.42
C[N@@H+]1CCC(=CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029396711	0	49	0.0	-75.54	379.55	4.02	-71.52
C[N@H+]1CCC(=CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029396711	1	49	0.0	-71.24	380.19	3.96	-67.28
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CNC1=CC=[NH+]C=C1	REAL300029396718	0	47	0.0	-72.12	377.38	1.74	-70.38
CC[NH+]1CCN(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029396780	0	56	0.0	-67.93	418.86	2.43	-65.50
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=C1C[NH+]2CCC1CC2	REAL300029396781	0	53	0.0	-65.13	397.49	4.79	-60.34
C[N@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)[C@@H]1CCC[C@H]1O	REAL300029396840	0	55	0.0	-63.46	412.68	1.82	-61.64
C[N@@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)[C@@H]1CCC[C@H]1O	REAL300029396840	1	55	0.0	-68.57	412.96	1.52	-67.05
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[NH+](C2CCOCC2)C1	REAL300029396849	0	56	0.0	-72.18	425.17	3.34	-68.84
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029396864	0	48	0.0	-64.48	363.35	3.26	-61.22
C[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029396864	1	48	0.0	-68.56	360.58	2.82	-65.74
CCN1CCOCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029396902	0	55	0.0	-71.30	406.16	2.64	-68.66
CC[N@@H+]1CCOCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029396902	1	55	0.0	-76.35	409.80	2.96	-73.39
CC[N@H+]1CCOCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029396902	1	55	0.0	-76.35	409.80	2.96	-73.39
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[NH+](C2CCCCC2)C1	REAL300029396928	0	58	0.0	-69.99	434.24	5.77	-64.22
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C2NC(N)=NC2=C1	REAL300029397004	0	48	0.0	-66.65	382.96	3.26	-63.39
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C2NC(N)=[NH+]C2=C1	REAL300029397004	1	48	0.0	-66.65	382.96	3.26	-63.39
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029397049	0	51	0.0	-69.97	391.53	4.12	-65.85
CC1CCCC(C)[NH+]1CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029397061	0	60	0.0	-65.95	432.96	5.52	-60.43
C[NH+](C)C1CCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029397064	0	57	0.0	-71.34	416.74	4.96	-66.38
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029397068	0	57	0.0	-61.62	410.51	4.81	-56.81
C[N@@H+]1CC=CCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029397069	0	52	0.0	-70.21	393.90	4.46	-65.75
C[N@H+]1CC=CCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029397069	1	52	0.0	-66.35	388.28	4.48	-61.87
CC1=CC(C=CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)=C[NH+]=C1N	REAL300029397131	1	51	0.0	-69.23	406.62	3.35	-65.88
C[NH+](C)CCOCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029397146	0	51	0.0	-68.35	398.27	3.42	-64.93
CCCCC[N@H+](C)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029397153	0	59	0.0	-70.80	446.98	5.92	-64.88
CCCCC[N@@H+](C)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029397153	1	59	0.0	-70.94	446.98	5.94	-65.00
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)O1	REAL300029397165	0	55	0.0	-69.42	417.63	4.47	-64.95
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1C=CSC1=[NH2+]	REAL300029397191	0	44	0.0	-62.67	369.36	2.58	-60.09
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029397270	0	54	0.0	-64.51	414.52	3.90	-60.61
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCCCCC1	REAL300029397328	0	57	0.0	-70.25	416.41	5.04	-65.21
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCCCC1	REAL300029397332	0	51	0.0	-67.04	384.01	4.26	-62.78
C[N@@H+]1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029397334	0	51	0.0	-66.65	376.92	3.90	-62.75
C[N@H+]1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029397334	1	51	0.0	-68.96	375.92	3.82	-65.14
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCC(CO)CC1	REAL300029397336	0	55	0.0	-72.76	415.53	1.61	-71.15
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCCCCC1	REAL300029397342	0	54	0.0	-66.59	393.37	4.45	-62.14
CN1C=C[N+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)=C1	REAL300029397349	0	46	0.0	-64.68	373.54	5.91	-58.77
C[NH+](C)CC1=CC=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)O1	REAL300029397367	1	51	0.0	-72.22	403.84	4.27	-67.95
C[NH+](C)CC1=CC=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C=N1	REAL300029397375	0	53	0.0	-71.32	411.42	3.95	-67.37
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCC(O)CC1	REAL300029397389	0	52	0.0	-75.02	394.95	0.95	-74.07
C[N@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)C1CC1	REAL300029397396	0	48	0.0	-64.79	371.66	3.80	-60.99
C[N@@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)C1CC1	REAL300029397396	1	48	0.0	-65.08	371.80	3.81	-61.27
CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)N1CC[NH+](C)CC1	REAL300029397398	1	56	0.0	-68.02	412.20	2.08	-65.94
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@@H+]1CCC(F)C1	REAL300029397403	0	51	0.0	-73.60	397.00	4.24	-69.36
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@H+]1CCC(F)C1	REAL300029397403	1	51	0.0	-72.74	396.37	4.11	-68.63
CC(CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)C[NH+](C)C	REAL300029397438	0	53	0.0	-69.38	399.69	4.43	-64.95
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@@H+]2CCOCC12	REAL300029397458	0	53	0.0	-69.63	394.17	2.66	-66.97
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@H+]2CCOCC12	REAL300029397458	1	53	0.0	-70.57	399.80	2.55	-68.02
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(NC(=O)C4=CC(=O)[N-]O4)C3(C)C)=CN21	REAL300029397466	0	49	0.0	-63.38	398.90	5.58	-57.80
C[N@@H+]1CCOCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029397487	1	52	0.0	-65.51	385.23	2.15	-63.36
C[N@H+]1CCOCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029397487	1	52	0.0	-63.37	385.39	2.11	-61.26
CC[NH+]1CCN(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029397498	0	56	0.0	-67.93	418.86	2.43	-65.50
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029397552	1	47	0.0	-65.65	371.24	1.64	-64.01
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1=CC=C(N)[NH+]=C1	REAL300029397555	0	50	0.0	-67.19	401.41	2.92	-64.27
CC1(O)CC[N@H+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029397609	0	52	0.0	-71.21	398.05	0.86	-70.35
CC1(O)CC[N@@H+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029397609	1	52	0.0	-72.42	398.17	0.88	-71.54
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029397619	0	54	0.0	-66.39	416.28	3.60	-62.79
C[NH+]1CC(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029397650	0	48	0.0	-69.60	373.73	3.24	-66.36
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@@H+]1C1CCCC1	REAL300029397656	0	55	0.0	-69.47	413.42	5.14	-64.33
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@H+]1C1CCCC1	REAL300029397656	1	55	0.0	-67.08	412.54	5.15	-61.93
C[NH+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029397666	0	44	0.0	-68.28	342.39	2.39	-65.89
C[N@H+](CCO)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029397707	0	51	0.0	-72.83	392.11	0.48	-72.35
C[N@@H+](CCO)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029397707	1	51	0.0	-73.21	391.81	0.45	-72.76
C[C@@H](C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](C)C	REAL300029397708	0	47	0.0	-66.64	358.93	2.75	-63.89
C[N@@H+]1CCCCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029397728	0	54	0.0	-62.98	393.78	4.35	-58.63
C[N@H+]1CCCCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029397728	1	54	0.0	-63.00	393.76	4.36	-58.64
CC1=C2C=C(C(=O)N3CCC(NC(=O)C4=CC(=O)[N-]O4)C3(C)C)C=CN2C=[NH+]1	REAL300029397754	1	49	0.0	-68.34	399.47	6.40	-61.94
CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+]1CC(C)C1	REAL300029397755	0	51	0.0	-65.05	387.16	3.78	-61.27
CC1CC[N@@H+]1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029397760	0	48	0.0	-67.53	367.83	3.10	-64.43
CC1CC[N@H+]1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029397760	1	48	0.0	-67.87	374.46	3.62	-64.25
C[NH+](C)CC=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029397775	0	48	0.0	-71.37	378.68	3.62	-67.75
CC1(C)C[NH+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300029397789	1	51	0.0	-67.75	392.68	3.99	-63.76
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCC[NH+]1CCCCC1	REAL300029397803	0	60	0.0	-68.81	449.28	6.43	-62.38
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)N1	REAL300029397816	1	52	0.0	-63.09	412.63	3.70	-59.39
C[NH+]1CCC(C2(C(=O)N3CCC(NC(=O)C4=CC(=O)[N-]O4)C3(C)C)CC2)CC1	REAL300029397826	0	58	0.0	-63.80	428.11	5.56	-58.24
CC1=C2C=C(C(=O)N3CCC(NC(=O)C4=CC(=O)[N-]O4)C3(C)C)C=CN2C=[NH+]1	REAL300029397835	1	49	0.0	-68.34	399.47	6.40	-61.94
C[NH+](C)CCSCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029397845	0	51	0.0	-72.68	409.29	4.38	-68.30
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=C(CCCC2)[NH+]=C1N	REAL300029397867	1	54	0.0	-59.28	411.74	3.75	-55.53
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CCCC1CO	REAL300029397875	0	52	0.0	-68.33	396.12	0.77	-67.56
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+]1CCCC1CO	REAL300029397875	1	52	0.0	-69.12	395.01	0.86	-68.26
CC[NH+](CC)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029397878	0	50	0.0	-65.71	373.98	3.47	-62.24
C[N@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)C1CCSC1	REAL300029397891	0	52	0.0	-73.02	401.74	4.64	-68.38
C[N@@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)C1CCSC1	REAL300029397891	1	52	0.0	-73.94	401.62	4.63	-69.31
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCC1	REAL300029397893	1	45	0.0	-67.90	352.37	2.84	-65.06
CC[NH+](CC)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029397938	0	53	0.0	-68.22	400.34	4.35	-63.87
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCC(C(N)=O)CC1	REAL300029397960	0	55	0.0	-80.70	420.73	0.96	-79.74
C[NH+](C)CC1=CNC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)=C1	REAL300029398006	0	52	0.0	-73.90	403.88	3.82	-70.08
CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+]1CCC(O)CC1	REAL300029398026	0	55	0.0	-67.14	412.18	1.25	-65.89
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2COCC[N@@H+]2C1	REAL300029398032	0	53	0.0	-74.30	398.02	2.67	-71.63
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2COCC[N@H+]2C1	REAL300029398032	1	53	0.0	-67.97	396.82	2.60	-65.37
CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+]1CCC1	REAL300029398048	0	48	0.0	-63.82	363.10	3.05	-60.77
CCC(CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)C[NH+](C)C	REAL300029398058	0	56	0.0	-69.54	413.42	4.91	-64.63
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=CC1=CC=C(N)[NH+]=C1	REAL300029398065	0	48	0.0	-70.34	388.81	2.60	-67.74
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029398130	0	51	0.0	-70.17	370.19	3.53	-66.64
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029398130	1	51	0.0	-62.77	382.10	3.92	-58.85
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029398144	0	54	0.0	-68.48	392.21	1.07	-67.41
CC1CN2CC[N@H+]1CC2C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029398144	1	54	0.0	-73.17	391.78	0.96	-72.21
C[NH+](C)CC(O)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029398169	0	51	0.0	-72.49	394.88	1.40	-71.09
C[NH+]1C2CCC1CC(C(=O)N1CCC(NC(=O)C3=CC(=O)[N-]O3)C1(C)C)C2	REAL300029398172	0	55	0.0	-62.62	369.51	4.03	-58.59
C=CCC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](C)C	REAL300029398218	0	51	0.0	-65.87	384.50	3.88	-61.99
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCCC[N@@H+]2C1	REAL300029398228	0	55	0.0	-66.88	405.09	4.86	-62.02
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCCC[N@H+]2C1	REAL300029398228	1	55	0.0	-73.29	407.19	5.04	-68.25
C[NH+]1CCC(O)(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300029398244	0	55	0.0	-68.85	413.11	2.69	-66.16
COCC[N@@H+]1CCCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029398259	0	58	0.0	-67.82	431.38	3.78	-64.04
COCC[N@H+]1CCCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029398259	1	58	0.0	-65.89	433.82	4.07	-61.82
C[NH+]1C2CCC1CC(CC(=O)N1CCC(NC(=O)C3=CC(=O)[N-]O3)C1(C)C)C2	REAL300029398268	0	58	0.0	-66.71	407.97	4.88	-61.83
C[NH+](C)CCN1N=CC=C1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029398300	0	54	0.0	-69.11	419.72	3.80	-65.31
C[NH+]1CCC(C2(C(=O)NC3CCN(C(=O)C4=CC(=O)[N-]O4)C3(C)C)CC2)CC1	REAL300029398339	0	58	0.0	-66.72	427.97	6.08	-60.64
CC1=C2C=C(C(=O)NC3CCN(C(=O)C4=CC(=O)[N-]O4)C3(C)C)C=CN2C=[NH+]1	REAL300029398350	1	49	0.0	-70.65	391.69	6.41	-64.24
C[NH+](C)CCSCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300029398359	0	51	0.0	-75.11	407.40	4.46	-70.65
CC1(C)C(NC(=O)C2CC3COCC[N@@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029398369	0	53	0.0	-70.22	397.68	2.70	-67.52
CC1(C)C(NC(=O)C2CC3COCC[N@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029398369	1	53	0.0	-72.62	397.50	2.55	-70.07
C[N@@H+]1CCCC1C(=O)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029398531	0	49	0.0	-57.84	374.09	2.66	-55.18
C[N@H+]1CCCC1C(=O)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029398531	1	49	0.0	-57.50	373.41	2.47	-55.03
C[N@@H+]1CCOC(C(=O)NCCC2CSCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029398555	1	50	0.0	-78.29	390.80	2.40	-75.89
C[N@H+]1CCOC(C(=O)NCCC2CSCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029398555	1	50	0.0	-72.87	390.82	2.39	-70.48
CC(C)[N@@H+]1CCCC1C(=O)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029398699	0	55	0.0	-62.22	406.17	4.45	-57.77
CC(C)[N@H+]1CCCC1C(=O)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029398699	1	55	0.0	-62.06	406.22	4.38	-57.68
CC1=[NH+]C=CN1CC(=O)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029398722	1	47	0.0	-59.85	382.89	3.55	-56.30
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C[NH+](C)C1(C(=O)NCCC2CSCCN2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029399877	0	55	0.0	-69.92	405.84	4.57	-65.35
CC(CCC(=O)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029399879	0	54	0.0	-70.60	407.27	3.64	-66.96
CC[N@@H+]1CCC1C(=O)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029399885	1	49	0.0	-60.28	378.26	2.66	-57.62
CC[N@H+]1CCC1C(=O)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029399885	1	49	0.0	-61.62	385.19	3.09	-58.53
O=C(C[N@H+]1CCCC1CO)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029399895	0	53	0.0	-60.24	408.58	0.74	-59.50
O=C(C[N@@H+]1CCCC1CO)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029399895	1	53	0.0	-60.84	406.44	0.48	-60.36
C[NH+]1CCC(C)(C(=O)NCCC2CSCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029399911	0	55	0.0	-68.25	410.75	4.04	-64.21
C=CCC(C(=O)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029399927	0	52	0.0	-55.49	396.69	3.44	-52.05
C[N@@H+]1CC(C)(C)CC1C(=O)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029399934	0	55	0.0	-58.61	414.07	3.63	-54.98
C[N@H+]1CC(C)(C)CC1C(=O)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029399934	1	55	0.0	-58.35	408.86	3.66	-54.69
C[NH+](C)CCCCCC(=O)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029399936	0	57	0.0	-69.61	440.36	4.88	-64.73
O=C(C[NH+]1CC2CC2C1)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029399941	0	50	0.0	-61.34	388.83	3.84	-57.50
CCCC(C(=O)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029399953	0	54	0.0	-65.49	407.56	3.83	-61.66
C[NH+](C)C(C)(C)C(=O)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029399956	0	51	0.0	-64.23	382.09	2.75	-61.48
C[N@@H+]1CCCCC1C(=O)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029399979	0	52	0.0	-55.67	395.58	3.48	-52.19
C[N@H+]1CCCCC1C(=O)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029399979	1	52	0.0	-61.84	385.77	3.39	-58.45
C[N@H+]1CC=C(CC(=O)NCCC2CSCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029399998	0	53	0.0	-65.24	412.65	4.37	-60.87
C[N@@H+]1CC=C(CC(=O)NCCC2CSCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029399998	1	53	0.0	-63.12	412.65	4.37	-58.75
O=C(C=CC[NH+]1CCCC1)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029400028	0	53	0.0	-67.56	415.80	4.38	-63.18
C[NH+](C)C1(C(=O)NCCC2CSCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029400054	0	49	0.0	-68.89	382.57	3.58	-65.31
O=C(CC[NH+]1CCCC1)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029400055	0	52	0.0	-64.04	401.82	3.69	-60.35
O=C(NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCN1CC2	REAL300029400076	0	52	0.0	-65.20	389.75	0.55	-64.65
C[N@@H+]1CC2CC1(C(=O)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300029400080	0	50	0.0	-68.17	385.46	3.14	-65.03
C[N@H+]1CC2CC1(C(=O)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300029400080	1	50	0.0	-68.51	384.87	3.09	-65.42
O=C(C[N@@H+]1CC2CCC1C2)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029400085	0	53	0.0	-59.79	397.37	3.99	-55.80
O=C(C[N@H+]1CC2CCC1C2)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029400085	1	53	0.0	-58.68	400.01	4.02	-54.66
O=C(C[N@@H+]1CC2C=CC1C2)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029400120	1	51	0.0	-59.34	392.55	3.89	-55.45
O=C(C[N@H+]1CC2C=CC1C2)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029400120	1	51	0.0	-59.14	393.04	3.91	-55.23
CC(C[NH+](C)C)C(=O)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029400150	0	51	0.0	-66.18	391.91	3.20	-62.98
C[N@@H+]1CCCCC1CC(=O)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029400189	0	55	0.0	-53.88	405.36	4.03	-49.85
C[N@H+]1CCCCC1CC(=O)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029400189	1	55	0.0	-65.23	412.03	4.32	-60.91
CC(C(=O)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300029400198	0	52	0.0	-59.61	402.25	3.63	-55.98
CC1CC[N@@H+]1CC(=O)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029400200	1	49	0.0	-59.58	379.36	2.87	-56.71
CC1CC[N@H+]1CC(=O)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029400200	1	49	0.0	-61.47	384.89	3.14	-58.33
C[NH+](C)CC(O)CC(=O)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029400202	0	52	0.0	-70.00	405.94	0.98	-69.02
CC1C[N@H+](C)CC(C(=O)NCCC2CSCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029400219	1	53	0.0	-71.51	405.31	3.10	-68.41
CC1C[N@@H+](C)CC(C(=O)NCCC2CSCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029400219	1	53	0.0	-72.28	405.16	3.24	-69.04
C[NH+](C)[C@H]1C[C@H](C(=O)NCCC2CSCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029400257	0	52	0.0	-62.38	403.10	3.79	-58.59
CC(CC[NH+](C)C)C(=O)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029400261	0	54	0.0	-66.41	413.54	3.86	-62.55
C[NH+]1CCN(CC(=O)NCCC2CSCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029400276	1	54	0.0	-64.15	412.51	1.46	-62.69
NC(=[NH2+])SCC(=O)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029400297	0	43	0.0	-66.16	362.03	-1.17	-67.33
C[NH+](C)CCC1(C(=O)NCCC2CSCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029400320	0	55	0.0	-76.59	428.27	4.55	-72.04
C[N@@H+]1CC=CCC1CC(=O)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029400321	0	53	0.0	-68.26	404.33	4.17	-64.09
C[N@H+]1CC=CCC1CC(=O)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029400321	1	53	0.0	-59.68	399.78	3.96	-55.72
CCC1CN(CC(=O)NCCC2CSCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029400402	0	52	0.0	-62.01	406.16	3.81	-58.20
CCC1C[NH+](CC(=O)NCCC2CSCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029400402	1	52	0.0	-62.01	406.16	3.81	-58.20
C[N@@H+]1CCC[C@H]1C(=O)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029400407	0	49	0.0	-59.26	373.74	2.52	-56.74
CC1C(C(=O)NCCC2CSCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029400429	0	52	0.0	-66.32	400.08	3.46	-62.86
CC1C(C(=O)NCCC2CSCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029400429	1	52	0.0	-66.32	400.08	3.46	-62.86
CN1CCOCC1CC(=O)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029400457	0	53	0.0	-72.83	403.85	1.81	-71.02
C[N@@H+]1CCOCC1CC(=O)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029400457	1	53	0.0	-61.65	396.84	1.85	-59.80
C[N@H+]1CCOCC1CC(=O)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029400457	1	53	0.0	-61.65	396.84	1.85	-59.80
C[N@@H+]1CCCC1C(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029400624	0	49	0.0	-69.42	374.98	2.92	-66.50
O=C(CCN1CCOCC1)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029400797	0	53	0.0	-78.37	414.35	2.58	-75.79
O=C(CC[NH+]1CCOCC1)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029400797	1	53	0.0	-78.37	414.35	2.58	-75.79
C[N@@H+]1CCC(CC(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029400823	0	52	0.0	-73.65	405.24	4.17	-69.48
C[N@H+]1CCC(CC(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029400823	1	52	0.0	-73.65	405.24	4.17	-69.48
CCC(C(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029400829	0	51	0.0	-63.90	380.26	3.16	-60.74
C[NH+](C)CCCCC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029400859	0	54	0.0	-74.08	424.45	4.71	-69.37
CCC[N@H+](C)CCC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029400871	0	54	0.0	-76.26	420.68	4.52	-71.74
CCC[N@@H+](C)CCC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029400871	1	54	0.0	-76.30	420.68	4.53	-71.77
CCC[N@H+](C)CC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029400873	0	51	0.0	-74.59	398.32	3.92	-70.67
CCC[N@@H+](C)CC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029400873	1	51	0.0	-67.16	394.72	3.60	-63.56
O=C(NCCC1CSCCN1C(=O)C12CC[N@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300029400883	0	53	0.0	-67.82	387.33	3.10	-64.72
O=C(NCCC1CSCCN1C(=O)C12CC[N@@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300029400883	1	53	0.0	-69.86	388.39	3.13	-66.73
CC1CC[NH+](CC(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029400906	0	55	0.0	-75.75	421.67	4.99	-70.76
C[NH+](C)CC1(C(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029400934	0	52	0.0	-72.81	399.14	3.53	-69.28
CC[N@H+](C)CCC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029400948	0	51	0.0	-75.33	399.18	3.78	-71.55
CC[N@@H+](C)CCC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029400948	1	51	0.0	-75.33	399.18	3.79	-71.54
O=C(NCCC1CSCCN1C(=O)C1C[NH+]2CCC1CC2)C1=CC(=O)[N-]O1	REAL300029400959	0	53	0.0	-79.67	393.11	3.94	-75.73
C[NH+]1CCC(C(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029400989	0	52	0.0	-73.05	394.79	3.74	-69.31
CCC(C(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300029401066	0	57	0.0	-62.00	419.34	4.55	-57.45
CC1CCC[N@@H+]1CC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401074	0	52	0.0	-71.03	397.60	3.88	-67.15
CC1CCC[N@H+]1CC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401074	1	52	0.0	-71.92	403.49	4.25	-67.67
CC(C)[N@@H+]1CCCC1C(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401100	0	55	0.0	-61.87	415.28	4.23	-57.64
CC(C)[N@H+]1CCCC1C(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401100	1	55	0.0	-67.17	400.81	4.22	-62.95
CC1CC[N@H+](CC(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029401114	0	52	0.0	-67.30	401.55	3.87	-63.43
CC1CC[N@@H+](CC(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029401114	1	52	0.0	-74.33	404.19	4.24	-70.09
CC1(C)CC[N@H+](CC(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029401116	0	55	0.0	-68.83	421.79	4.60	-64.23
CC1(C)CC[N@@H+](CC(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029401116	1	55	0.0	-74.56	424.43	4.73	-69.83
C[N@H+](CC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029401117	0	57	0.0	-68.41	425.91	4.72	-63.69
C[N@@H+](CC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029401117	1	57	0.0	-74.51	429.44	5.07	-69.44
CC[C@@H](C(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029401123	0	51	0.0	-71.81	386.95	3.50	-68.31
CC1=[NH+]C=CN1CC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401195	1	47	0.0	-68.56	388.52	4.12	-64.44
CC[N@@H+]1CCOC(C(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029401233	1	53	0.0	-76.76	407.78	3.00	-73.76
CC[N@H+]1CCOC(C(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029401233	1	53	0.0	-76.44	408.17	3.05	-73.39
CC1=C[NH+]=CN1CC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401247	1	47	0.0	-71.14	388.85	4.86	-66.28
C[C@@H]1[C@H](C(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029401251	0	52	0.0	-72.59	391.11	3.14	-69.45
C[C@@H]1[C@H](C(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029401251	1	52	0.0	-70.03	392.51	3.55	-66.48
CC[C@@H]1[C@@H](C(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029401253	0	55	0.0	-74.58	410.69	4.03	-70.55
CC[C@@H]1[C@@H](C(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029401253	1	55	0.0	-70.96	411.33	4.14	-66.82
CC1CCC(C)[NH+]1CC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401257	0	55	0.0	-64.63	409.28	4.20	-60.43
O=C(CCC[NH+]1CCCC1)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401259	0	55	0.0	-73.06	428.92	5.10	-67.96
O=C(CC[NH+]1CCCCC1)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401262	0	55	0.0	-74.81	423.08	5.00	-69.81
C[N@H+](CC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029401328	0	52	0.0	-65.31	402.70	4.22	-61.09
C[N@@H+](CC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029401328	1	52	0.0	-72.51	405.32	4.49	-68.02
C[NH+]1CCC(C(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029401350	0	52	0.0	-73.05	394.79	3.74	-69.31
C[N@@H+]1CCC[C@@H]1C(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401367	0	49	0.0	-67.22	371.87	2.61	-64.61
C[N@H+]1CCC[C@@H]1C(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401367	1	49	0.0	-70.28	382.07	3.40	-66.88
C[N@@H+]1CCCC1CCC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401385	0	55	0.0	-65.24	418.12	4.41	-60.83
C[N@H+]1CCCC1CCC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401385	1	55	0.0	-71.35	420.27	4.57	-66.78
CC1C(C(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029401475	0	52	0.0	-70.74	386.16	3.14	-67.60
CC1C(C(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029401475	1	52	0.0	-70.00	392.26	3.93	-66.07
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401514	0	55	0.0	-66.23	389.56	3.76	-62.47
CC(C)(C)[N@H+]1CCC1C(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401514	1	55	0.0	-69.57	393.21	3.21	-66.36
C[C@@H](C(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029401527	0	48	0.0	-66.63	371.56	2.69	-63.94
C=CCC(C)(C(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029401539	0	55	0.0	-61.02	400.36	3.79	-57.23
O=C(CC[NH+]1CCCC1)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401551	0	52	0.0	-74.84	407.41	4.30	-70.54
C[N@H+](CCO)CC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401559	1	49	0.0	-68.38	384.66	-0.30	-68.68
C[N@@H+](CCO)CC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401559	1	49	0.0	-68.47	384.70	-0.31	-68.78
C[N@H+]1CC=C(CC(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029401600	0	53	0.0	-68.90	418.21	4.89	-64.01
C[N@@H+]1CC=C(CC(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029401600	1	53	0.0	-66.84	418.00	4.87	-61.97
CC1C[NH+](CC(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029401639	1	49	0.0	-74.45	390.35	3.62	-70.83
CC[N@@H+]1CCCC(C(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029401643	0	55	0.0	-59.58	406.56	4.60	-54.98
CC[N@H+]1CCCC(C(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029401643	1	55	0.0	-58.20	404.67	4.40	-53.80
NC1=[NH+]C=CC=C1CC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401647	0	48	0.0	-67.15	393.33	2.38	-64.77
O=C(NCCC1CSCCN1C(=O)C1CCC[N@@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300029401653	0	53	0.0	-68.70	409.77	4.72	-63.98
O=C(NCCC1CSCCN1C(=O)C1CCC[N@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300029401653	1	53	0.0	-68.42	407.59	4.66	-63.76
O=C(C=CC[NH+]1CCCC1)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401670	0	53	0.0	-70.22	417.82	4.78	-65.44
CC[N@H+](C)CC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401698	0	48	0.0	-66.86	373.23	2.86	-64.00
O=C(CN1CC2C=CC1C2)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401724	0	51	0.0	-70.44	397.91	4.38	-66.06
O=C(C[N@@H+]1CC2C=CC1C2)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401724	1	51	0.0	-73.03	398.64	4.50	-68.53
O=C(C[N@H+]1CC2C=CC1C2)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401724	1	51	0.0	-73.03	398.64	4.50	-68.53
COCCN(C)CC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401789	0	52	0.0	-68.74	406.94	2.10	-66.64
COCC[N@H+](C)CC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401789	1	52	0.0	-75.40	409.42	2.34	-73.06
COCC[N@@H+](C)CC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401789	1	52	0.0	-75.40	409.42	2.34	-73.06
CC(CCC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029401792	0	54	0.0	-77.88	412.50	4.30	-73.58
CC[N@H+](CC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029401804	0	52	0.0	-71.77	404.74	4.52	-67.25
O=C(C[N@@H+]1CC2CCC1C2)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401832	0	53	0.0	-65.74	400.75	4.14	-61.60
CC(C[NH+](C)C)C(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401844	0	51	0.0	-65.80	392.14	3.49	-62.31
C[C@H](C(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029401863	0	48	0.0	-66.18	371.25	2.52	-63.66
CC[N@@H+]1CCC1C(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401867	1	49	0.0	-65.16	380.25	2.95	-62.21
CC[N@H+]1CCC1C(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401867	1	49	0.0	-71.45	382.23	3.13	-68.32
CCC(C)(C)[NH2+]C(C)C(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401872	0	57	0.0	-66.08	419.73	2.89	-63.19
NC1=CC=[NH+]C=C1C(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401893	0	45	0.0	-68.62	369.61	0.25	-68.37
CCCC(C(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029401900	0	54	0.0	-70.64	403.90	4.09	-66.55
CC(CC[NH+](C)C)C(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401915	0	54	0.0	-65.23	410.48	3.91	-61.32
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401959	0	55	0.0	-65.46	421.54	4.36	-61.10
C[N@H+]1CC(C)(C)CC1C(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401959	1	55	0.0	-61.80	415.16	4.15	-57.65
C[NH+](C)CCCCCC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401961	0	57	0.0	-72.44	445.95	5.49	-66.95
C[NH+]1CCN(CC(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029401968	1	54	0.0	-70.48	417.88	2.00	-68.48
CC1C[N@H+](C)CC(C(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)O1	REAL300029402004	1	53	0.0	-81.27	401.45	3.01	-78.26
CC1C[N@@H+](C)CC(C(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)O1	REAL300029402004	1	53	0.0	-79.04	411.58	3.08	-75.96
O=C(C[NH+]1CC2CC2C1)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029402030	0	50	0.0	-75.32	393.67	4.33	-70.99
C[N@@H+]1CCCCC1C(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029402043	0	52	0.0	-63.62	382.18	3.34	-60.28
C[N@H+]1CCCCC1C(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029402043	1	52	0.0	-64.62	396.78	3.82	-60.80
C[N@@H+]1CCC(=CC(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029402089	0	50	0.0	-65.91	394.36	3.82	-62.09
C[N@H+]1CCC(=CC(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029402089	1	50	0.0	-67.58	393.17	3.95	-63.63
O=C(CNC1=CC=[NH+]C=C1)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029402091	0	48	0.0	-72.73	394.80	1.79	-70.94
C[N@@H+]1CCC[C@H]1C(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029402142	0	49	0.0	-65.13	381.09	3.21	-61.92
C[N@H+]1CCC[C@H]1C(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029402142	1	49	0.0	-71.43	375.78	2.78	-68.65
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029402209	0	52	0.0	-73.52	407.11	4.22	-69.30
C[N@@H+]1CC=CCC1CC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029402216	0	53	0.0	-77.97	409.98	4.61	-73.36
C[N@H+]1CC=CCC1CC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029402216	1	53	0.0	-74.33	406.56	4.34	-69.99
C[NH+](C)CCOCC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029402243	0	52	0.0	-70.49	414.83	3.49	-67.00
[NH2+]=C1SC=CN1CC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029402260	0	45	0.0	-68.67	386.16	2.69	-65.98
C[N@@H+]1CCCC(C(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029402304	0	52	0.0	-69.81	399.40	3.88	-65.93
C[N@H+]1CCCC(C(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029402304	1	52	0.0	-69.81	399.40	3.88	-65.93
O=C(C[NH+]1CCCCCC1)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029402305	0	55	0.0	-74.23	410.05	4.55	-69.68
CN1C=C[N+](CC(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029402308	0	47	0.0	-70.00	390.31	6.02	-63.98
O=C(CN1CCC(O)CC1)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029402324	0	53	0.0	-75.51	409.41	0.87	-74.64
O=C(C[NH+]1CCC(O)CC1)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029402324	1	53	0.0	-75.51	409.41	0.87	-74.64
C[N@H+](CC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029402325	0	49	0.0	-71.89	388.49	3.92	-67.97
CC(CC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029402342	0	54	0.0	-78.53	415.98	4.55	-73.98
CN1CCOCC1CC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029402359	0	53	0.0	-70.32	402.09	2.23	-68.09
C[N@@H+]1CCOCC1CC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029402359	1	53	0.0	-70.38	401.97	2.22	-68.16
C[N@H+]1CCOCC1CC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029402359	1	53	0.0	-70.38	401.97	2.22	-68.16
CC1=CC(N)=NC=C1C(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029402384	0	48	0.0	-67.89	390.70	1.59	-66.30
CC1=CC(N)=[NH+]C=C1C(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029402384	1	48	0.0	-67.89	390.70	1.59	-66.30
CC1(O)CC[N@H+](CC(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029402406	0	53	0.0	-73.34	414.79	0.92	-72.42
C[NH+]1CC(CC(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029402427	0	49	0.0	-73.52	390.53	3.39	-70.13
C[N@H+](CCO)CCC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029402449	0	52	0.0	-74.27	409.41	0.55	-73.72
C[N@@H+](CCO)CCC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029402449	1	52	0.0	-74.27	409.41	0.55	-73.72
C[N@@H+]1CCCCC1CC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029402460	0	55	0.0	-67.14	410.60	4.61	-62.53
C[N@H+]1CCCCC1CC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029402460	1	55	0.0	-67.14	410.60	4.61	-62.53
CC(C(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1)N1CC(C)C1	REAL300029402469	0	52	0.0	-65.65	401.23	3.71	-61.94
CC(C(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300029402469	1	52	0.0	-65.65	401.23	3.71	-61.94
CC1CCN1CC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029402471	0	49	0.0	-71.77	384.65	3.32	-68.45
CC1CC[N@@H+]1CC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029402471	1	49	0.0	-66.73	387.87	3.42	-63.31
CC1CC[N@H+]1CC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029402471	1	49	0.0	-66.73	387.87	3.42	-63.31
C[NH+](C)CC=CC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029402475	0	49	0.0	-71.43	391.48	3.57	-67.86
O=C(C[N@H+]1CCCC1CO)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029402510	0	53	0.0	-73.92	412.28	1.12	-72.80
CC[NH+](CC)CC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029402512	0	51	0.0	-72.48	390.21	3.57	-68.91
CC[NH+](CC)CCC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029402543	0	54	0.0	-74.42	416.65	4.48	-69.94
CC(C(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1)N1CCC1	REAL300029402581	0	49	0.0	-64.84	381.45	3.02	-61.82
CC(C(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300029402581	1	49	0.0	-64.84	381.45	3.02	-61.82
CCC(CC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029402586	0	57	0.0	-66.10	433.85	5.18	-60.92
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029402611	0	52	0.0	-61.67	390.02	3.69	-57.98
C[NH+](C)CC(O)CC(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029402627	0	52	0.0	-77.36	411.79	1.42	-75.94
C=CCC(C(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029402647	0	52	0.0	-69.49	395.74	3.82	-65.67
C[C@@H]1[C@H](NC(=O)C2CCC[N@@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029402861	0	48	0.0	-56.98	357.75	3.71	-53.27
C[C@@H]1[C@H](NC(=O)C2CCC[N@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029402861	1	48	0.0	-58.96	352.53	3.37	-55.59
C[C@@H]1[C@H](NC(=O)C2C[N@H+](C)CCO2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029402885	1	49	0.0	-60.71	363.06	2.95	-57.76
C[C@@H]1[C@H](NC(=O)C2C[N@@H+](C)CCO2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029402885	1	49	0.0	-59.60	363.10	2.95	-56.65
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029403069	1	55	0.0	-56.27	418.23	5.96	-50.31
CC(C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+]1CCCCCC1	REAL300029403076	0	57	0.0	-56.86	401.86	5.24	-51.62
CC(C)[N@@H+]1CCCCC1C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029403078	0	57	0.0	-55.56	399.86	5.35	-50.21
CC(C)[N@H+]1CCCCC1C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029403078	1	57	0.0	-54.70	399.73	5.25	-49.45
CC(C)[N@@H+]1CCCC1C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029403112	0	54	0.0	-56.53	375.68	4.48	-52.05
CC(C)[N@H+]1CCCC1C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029403112	1	54	0.0	-55.56	382.57	4.73	-50.83
C[C@@H]1[C@H](NC(=O)C2CC3CCCC[N@@H+]3C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029403138	0	55	0.0	-59.08	400.55	5.50	-53.58
C[C@@H]1[C@H](NC(=O)C2CC3CCCC[N@H+]3C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029403138	1	55	0.0	-57.86	400.40	5.49	-52.37
CC(C)C1=[NH+]C=CN1CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029403171	1	52	0.0	-56.56	398.65	5.53	-51.03
CC1=[NH+]C=CN1CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029403225	1	46	0.0	-58.03	362.38	4.40	-53.63
CC(C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029403227	0	55	0.0	-59.79	403.62	3.66	-56.13
C[C@@H]1[C@H](NC(=O)CCC[NH+]2CCCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029403249	0	57	0.0	-62.31	418.28	6.05	-56.26
C[C@@H]1[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029403276	0	57	0.0	-52.69	398.35	5.49	-47.20
C[C@@H]1[C@H](NC(=O)C2C[NH+]3CCC2CC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029403295	0	52	0.0	-61.85	374.15	4.58	-57.27
C[C@@H]1[C@H](NC(=O)C2CCCC3CCC[N@@H+]32)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029403353	0	55	0.0	-54.45	397.24	5.65	-48.80
C[C@@H]1[C@H](NC(=O)C2CCCC3CCC[N@H+]32)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029403353	1	55	0.0	-54.49	397.48	5.63	-48.86
C[C@@H]1[C@H](NC(=O)C2=CN(CC[NH+](C)C)N=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029403355	0	54	0.0	-72.08	417.24	4.29	-67.79
C[C@@H]1[C@H](NC(=O)C2=NN(CC[NH+](C)C)C=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029403370	0	54	0.0	-63.71	417.46	4.17	-59.54
C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)CC[N@@H+]1C	REAL300029403377	0	51	0.0	-62.38	369.33	3.83	-58.55
C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)CC[N@H+]1C	REAL300029403377	1	51	0.0	-60.47	375.36	3.92	-56.55
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029403380	1	55	0.0	-56.38	418.94	6.00	-50.38
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)CC[N@@H+]1C	REAL300029403383	0	54	0.0	-61.01	389.66	4.34	-56.67
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)CC[N@H+]1C	REAL300029403383	1	54	0.0	-60.43	394.45	4.69	-55.74
CC[N@@H+]1CCOC(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029403409	1	52	0.0	-60.16	387.99	3.75	-56.41
CC[N@H+]1CCOC(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029403409	1	52	0.0	-61.29	387.96	3.75	-57.54
CC[NH+](CC)CC(F)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029403469	0	53	0.0	-59.42	392.10	4.38	-55.04
C[C@@H]1[C@H](NC(=O)C2=C(C[NH+](C)C)C=CS2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029403470	0	51	0.0	-60.68	397.98	5.44	-55.24
CC1CCC(C)[NH+]1CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029403575	0	54	0.0	-57.99	380.04	4.40	-53.59
C[C@@H]1[C@H](NC(=O)CCC[NH+]2CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029403582	0	54	0.0	-62.29	401.58	5.28	-57.01
C[C@@H]1[C@H](NC(=O)C2=CC=CC(C[NH+](C)C)=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029403583	0	54	0.0	-68.47	411.13	6.28	-62.19
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)CC1	REAL300029403590	0	53	0.0	-64.24	402.29	5.60	-58.64
C[C@@H]1[C@H](NC(=O)CC[NH+]2CCCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029403591	0	54	0.0	-61.02	396.78	5.24	-55.78
C[C@@H]1[C@H](NC(=O)C2=CC=CC=C2C[NH+](C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029403595	0	54	0.0	-60.62	403.84	6.52	-54.10
CC[N@@H+]1CCCCC1C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029403604	0	54	0.0	-55.32	392.44	4.91	-50.41
CC[N@H+]1CCCCC1C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029403604	1	54	0.0	-55.14	392.29	4.93	-50.21
CC(C)C(C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+]1CCCCC1	REAL300029403605	0	60	0.0	-53.79	419.65	6.01	-47.78
C[C@@H]1[C@H](NC(=O)C(C2=CC=CC=C2)[NH+](C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029403608	1	54	0.0	-59.13	407.57	6.29	-52.84
CC(C)C[N@@H+]1CCC(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029403634	0	57	0.0	-60.60	417.80	5.79	-54.81
CC(C)C[N@H+]1CCC(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029403634	1	57	0.0	-60.75	417.66	5.70	-55.05
C[C@@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029403638	0	51	0.0	-58.41	366.54	4.38	-54.03
C[C@@H]1[C@H](NC(=O)C(CN2C=CC=N2)[NH+](C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029403640	1	54	0.0	-61.43	405.29	4.00	-57.43
CC(C)[N@@H+]1CCCC1CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029403645	0	57	0.0	-56.02	404.18	4.97	-51.05
CC(C)[N@H+]1CCCC1CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029403645	1	57	0.0	-55.51	402.21	5.35	-50.16
C[C@@H]1[C@H](NC(=O)C2CCC[N@@H+]2C2CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029403646	0	58	0.0	-57.03	405.98	5.96	-51.07
C[C@@H]1[C@H](NC(=O)C2CCC[N@H+]2C2CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029403646	1	58	0.0	-56.50	419.02	6.15	-50.35
CC(C)[C@@H](C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+](C)C	REAL300029403667	0	53	0.0	-59.56	377.18	4.60	-54.96
C[C@@H]1[C@H](NC(=O)C[N@H+](C)C2CCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029403729	0	51	0.0	-58.52	378.91	4.79	-53.73
C[C@@H]1[C@H](NC(=O)C[N@@H+](C)C2CCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029403729	1	51	0.0	-58.40	378.96	4.81	-53.59
CC(C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+]1C(C)CCC1C	REAL300029403815	0	57	0.0	-53.69	405.52	5.06	-48.63
C[C@@H]1[C@H](NC(=O)CCN(C)C2=CC=[NH+]C=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029403894	0	53	0.0	-59.66	407.50	4.48	-55.18
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029403906	1	50	0.0	-56.20	379.59	4.42	-51.78
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029403906	1	50	0.0	-57.59	385.33	5.11	-52.48
C[C@@H]1[C@H](NC(=O)CCC2CCC[N@@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029403916	0	54	0.0	-60.86	396.55	5.14	-55.72
C[C@@H]1[C@H](NC(=O)CCC2CCC[N@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029403916	1	54	0.0	-62.32	394.50	4.78	-57.54
C[C@@H]1[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029403929	0	55	0.0	-64.25	390.26	5.02	-59.23
C[C@@H]1[C@H](NC(=O)C2CCC3CCCC[N@@H+]32)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029403937	0	55	0.0	-53.66	400.66	5.61	-48.05
C[C@@H]1[C@H](NC(=O)C2CCC3CCCC[N@H+]32)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029403937	1	55	0.0	-54.61	400.79	5.77	-48.84
C[C@@H]1[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029403945	0	58	0.0	-61.14	413.43	3.89	-57.25
C[C@@H]1[C@H](NC(=O)CCCC[NH+]2CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029403965	0	57	0.0	-63.26	424.10	6.13	-57.13
C[C@@H]1[C@H](NC(=O)C[N@H+](C)CC2=CC=CC=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029403968	1	54	0.0	-63.01	409.65	6.39	-56.62
C[C@@H]1[C@H](NC(=O)C[N@@H+](C)CC2=CC=CC=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029403968	1	54	0.0	-62.94	409.63	6.39	-56.55
C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029403985	0	51	0.0	-62.90	377.44	4.50	-58.40
C[C@@H]1[C@H](NC(=O)C2=NOC(C[NH+](C)C)=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029404045	1	50	0.0	-73.15	391.94	3.69	-69.46
CC1=C(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C=CC2=C[NH+]=CN21	REAL300029404047	0	49	0.0	-61.59	385.34	6.32	-55.27
C[C@@H]1[C@H](NC(=O)C2CCCC[N@@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029404090	0	51	0.0	-58.97	365.61	4.23	-54.74
C[C@@H]1[C@H](NC(=O)C2CCCC[N@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029404090	1	51	0.0	-57.63	374.85	4.38	-53.25
CC(C)C[N@@H+]1CCCC1C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029404121	0	57	0.0	-56.77	417.73	5.93	-50.84
CC(C)C[N@H+]1CCCC1C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029404121	1	57	0.0	-57.18	409.29	5.73	-51.45
C[C@@H]1[C@H](NC(=O)C2=CN3C=[NH+]C=C3C=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029404278	0	46	0.0	-63.79	363.11	6.32	-57.47
CC1=[NH+]C=CN1CCCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029404291	1	52	0.0	-59.24	403.80	5.55	-53.69
C[C@@H]1[C@H](NC(=O)CCCC[NH+]2CCOCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029404295	1	58	0.0	-65.38	431.06	4.24	-61.14
C[C@@H]1[C@H](NC(=O)C2=CC=C(C[NH+](C)C)C=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029404301	0	54	0.0	-67.46	411.08	6.29	-61.17
C[C@@H]1[C@H](NC(=O)CC[NH+]2CCOCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029404302	1	52	0.0	-63.91	388.05	2.81	-61.10
CCC[NH+](CCC)CCCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029404327	0	62	0.0	-62.97	450.66	6.69	-56.28
CC1=C[NH+]=CN1CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029404347	1	46	0.0	-60.53	362.79	5.15	-55.38
C[C@@H]1[C@H](NC(=O)CN2C=[NH+]C3=C2CCCC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029404358	1	53	0.0	-59.14	404.53	6.88	-52.26
C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029404402	0	60	0.0	-61.17	416.40	6.11	-55.06
C[C@@H]1[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029404408	0	60	0.0	-60.54	431.20	6.24	-54.30
C[C@@H]1[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029404408	1	60	0.0	-61.77	431.19	6.39	-55.38
C[C@@H]1[C@H](NC(=O)C23CCC[NH+]2CCC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029404413	0	52	0.0	-56.87	375.31	4.61	-52.26
C[C@@H]1[C@H](NC(=O)C2CCCC([NH+](C)C)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029404452	0	57	0.0	-61.60	405.22	5.47	-56.13
C[C@@H]1[C@H](NC(=O)CC2CC[N@H+](C)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029404457	0	51	0.0	-63.12	379.50	4.27	-58.85
C[C@@H]1[C@H](NC(=O)CC2CC[N@@H+](C)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029404457	1	51	0.0	-63.82	379.29	4.41	-59.41
C[C@@H]1[C@H](NC(=O)C2=C[NH+]=CC=C2N(C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029404471	0	50	0.0	-60.09	383.69	3.60	-56.49
CCC(C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+](C)C	REAL300029404477	0	50	0.0	-58.58	362.79	3.80	-54.78
C[C@@H]1[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029404497	0	57	0.0	-61.99	396.64	5.25	-56.74
C[C@@H]1[C@H](NC(=O)C2=CC3=C[NH+]=CN3C=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029404562	1	46	0.0	-64.43	363.38	6.31	-58.12
C[C@@H]1[C@H](NC(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029404605	1	49	0.0	-68.54	392.67	4.24	-64.30
C[C@@H]1[C@H](NC(=O)CCCC[NH+](C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029404639	0	53	0.0	-64.63	398.14	4.94	-59.69
CC(C)C(C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+](C)C	REAL300029404661	0	53	0.0	-58.29	377.25	4.24	-54.05
CCC[N@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029404663	0	53	0.0	-62.22	394.37	4.75	-57.47
CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029404663	1	53	0.0	-62.23	394.38	4.77	-57.46
CCC[N@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029404669	0	50	0.0	-60.20	372.02	4.24	-55.96
CCC[N@@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029404669	1	50	0.0	-60.23	372.09	4.23	-56.00
C[C@@H]1[C@H](NC(=O)C23CC[N@H+](C2)CCC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029404699	0	52	0.0	-60.01	373.94	4.13	-55.88
C[C@@H]1[C@H](NC(=O)C23CC[N@@H+](C2)CCC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029404699	1	52	0.0	-62.65	374.52	4.04	-58.61
C[C@@H]1[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029404763	0	48	0.0	-57.05	357.73	3.72	-53.33
C[C@@H]1[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029404763	1	48	0.0	-57.90	353.11	3.19	-54.71
CC1CC2CCC(C(=O)N[C@@H]3CCCN(C(=O)C4=CC(=O)[N-]O4)[C@@H]3C)C[N@@H+]2C1	REAL300029404790	0	58	0.0	-58.64	420.99	6.15	-52.49
CC1CC2CCC(C(=O)N[C@@H]3CCCN(C(=O)C4=CC(=O)[N-]O4)[C@@H]3C)C[N@H+]2C1	REAL300029404790	1	58	0.0	-55.52	415.00	6.23	-49.29
CCCCCC[N@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029404841	0	59	0.0	-61.27	436.52	6.57	-54.70
CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029404841	1	59	0.0	-61.25	436.59	6.58	-54.67
CC[NH+](CC)C(C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)C(C)C	REAL300029404850	0	59	0.0	-56.64	406.99	5.73	-50.91
CC[NH+](CC)CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029404860	0	50	0.0	-58.43	368.83	4.14	-54.29
CCC[N@@H+]1CCCC(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029404894	0	57	0.0	-57.14	410.32	5.88	-51.26
CCC[N@H+]1CCCC(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029404894	1	57	0.0	-60.04	416.45	5.67	-54.37
CC(C)[N@@H+]1CCOC(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029404917	1	55	0.0	-57.88	397.65	4.10	-53.78
CC(C)[N@H+]1CCOC(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029404917	1	55	0.0	-58.43	396.42	4.18	-54.25
CC1CC[NH+](CC(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)CC1	REAL300029404957	0	54	0.0	-58.56	395.84	5.15	-53.41
C[C@@H]1[C@H](NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029404988	1	49	0.0	-72.21	392.23	4.24	-67.97
C[C@@H]1[C@H](NC(=O)COC2CC[NH+](C)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029404997	0	55	0.0	-67.50	412.88	4.89	-62.61
C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405014	0	51	0.0	-60.31	373.19	4.28	-56.03
CC1=[NH+]C=C2CCC(C(=O)N[C@@H]3CCCN(C(=O)C4=CC(=O)[N-]O4)[C@@H]3C)CN21	REAL300029405015	1	53	0.0	-56.21	400.54	5.52	-50.69
CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)CC1	REAL300029405116	0	57	0.0	-59.92	411.90	5.64	-54.28
C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405146	0	51	0.0	-62.90	377.44	4.50	-58.40
CC(C)[C@H](C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+](C)C	REAL300029405169	0	53	0.0	-58.84	377.01	4.79	-54.05
CCC(C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+](CC)CC	REAL300029405206	0	56	0.0	-54.55	396.52	5.11	-49.44
CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029405301	0	50	0.0	-61.61	372.87	4.01	-57.60
CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029405301	1	50	0.0	-61.65	372.88	4.03	-57.62
CC1CCC[N@@H+]1CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029405377	0	51	0.0	-57.12	378.81	4.49	-52.63
CC1CCC[N@H+]1CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029405377	1	51	0.0	-57.06	371.62	4.19	-52.87
CC1CC[N@H+](CC(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029405379	0	51	0.0	-58.05	378.85	4.39	-53.66
CC1CC[N@@H+](CC(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029405379	1	51	0.0	-58.98	378.28	4.49	-54.49
C[C@@H]1[C@H](NC(=O)C2(F)CC[N@@H+](C(C)(C)C)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405380	0	57	0.0	-58.64	414.84	4.95	-53.69
C[C@@H]1[C@H](NC(=O)C2(F)CC[N@H+](C(C)(C)C)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405380	1	57	0.0	-59.36	414.64	5.09	-54.27
CC1=[NH+]C=C2CC(C(=O)N[C@@H]3CCCN(C(=O)C4=CC(=O)[N-]O4)[C@@H]3C)CCN21	REAL300029405382	1	53	0.0	-55.93	401.32	5.38	-50.55
C[C@@H]1[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405385	0	54	0.0	-58.80	398.00	5.07	-53.73
C[C@@H]1[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405385	1	54	0.0	-59.00	398.20	5.06	-53.94
C[C@@H]1[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405386	0	56	0.0	-59.44	402.66	5.25	-54.19
C[C@@H]1[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405386	1	56	0.0	-59.62	401.46	5.25	-54.37
CC[C@@H](C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+](C)C	REAL300029405397	0	50	0.0	-58.70	363.36	3.83	-54.87
CC(COCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+]1CCCC1	REAL300029405405	0	58	0.0	-60.81	431.10	5.47	-55.34
C[C@@H]1[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405493	0	58	0.0	-61.79	424.14	6.26	-55.53
C[C@@H]1[C@H](NC(=O)CC2(O)CC[NH+](C)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405643	0	55	0.0	-64.36	402.90	2.90	-61.46
COCC[N@@H+]1CCCC1CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029405650	0	58	0.0	-59.97	422.33	4.11	-55.86
COCC[N@H+]1CCCC1CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029405650	1	58	0.0	-59.73	424.54	3.86	-55.87
C[C@@H]1[C@H](NC(=O)C[NH+](C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405658	0	44	0.0	-61.08	332.78	2.82	-58.26
C[C@@H]1[C@H](NC(=O)C[NH+]2CCC(CO)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405663	1	55	0.0	-60.97	406.21	1.83	-59.14
C[C@@H]1[C@H](NC(=O)C[NH+]2CCCCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405667	0	54	0.0	-59.36	383.85	4.87	-54.49
C[C@@H]1[C@H](NC(=O)C[N+]2=CN(C)C=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405672	0	46	0.0	-58.79	364.12	6.33	-52.46
C[C@@H]1[C@H](NC(=O)C2CCC[N@H+](C)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405683	0	51	0.0	-58.55	371.29	4.62	-53.93
C[C@@H]1[C@H](NC(=O)C2CCC[N@@H+](C)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405683	1	51	0.0	-61.22	377.38	4.27	-56.95
C[C@@H]1[C@H](NC(=O)C2CCC[N@@H+]2C2CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405689	0	52	0.0	-55.55	390.39	5.30	-50.25
C[C@@H]1[C@H](NC(=O)C2CCC[N@H+]2C2CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405689	1	52	0.0	-55.76	385.55	5.18	-50.58
CC(C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+]1CCC1	REAL300029405726	1	48	0.0	-57.27	360.53	3.69	-53.58
CCC(CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)C[NH+](C)C	REAL300029405735	0	56	0.0	-63.85	407.97	5.41	-58.44
C[C@@H]1[C@H](NC(=O)C(C)(C)C[NH+](C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405744	0	53	0.0	-59.68	379.65	4.36	-55.32
C[C@@H]1[C@H](NC(=O)C23CC(C2)C[N@@H+]3C2CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405767	0	53	0.0	-54.06	377.79	4.87	-49.19
C[C@@H]1[C@H](NC(=O)C23CC(C2)C[N@H+]3C2CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405767	1	53	0.0	-54.35	383.80	5.81	-48.54
C[C@@H]1[C@H](NC(=O)C[NH+]2CCC(O)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405790	1	52	0.0	-61.62	385.62	1.18	-60.44
C[C@@H]1[C@H](NC(=O)C[N@H+](C)C2CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405792	0	48	0.0	-58.14	362.31	4.23	-53.91
C[C@@H]1[C@H](NC(=O)C[N@@H+](C)C2CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405792	1	48	0.0	-57.87	362.27	4.21	-53.66
CC(C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)N1CC[NH+](C)CC1	REAL300029405793	1	56	0.0	-64.39	406.51	2.65	-61.74
C[C@@H]1[C@H](NC(=O)CC2C[NH+](C)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405822	0	48	0.0	-62.95	364.07	3.63	-59.32
C[C@@H]1[C@H](NC(=O)C2CC[N@@H+]2C2CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405826	0	55	0.0	-57.20	398.16	5.18	-52.02
C[C@@H]1[C@H](NC(=O)C2CC[N@H+]2C2CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405826	1	55	0.0	-58.67	403.68	5.61	-53.06
C[C@@H]1[C@H](NC(=O)C2CC[N@@H+]2C(C)(C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405834	0	54	0.0	-55.25	373.72	4.05	-51.20
C[C@@H]1[C@H](NC(=O)C2CC[N@H+]2C(C)(C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405834	1	54	0.0	-55.18	394.41	4.34	-50.84
C[C@@H]1[C@H](NC(=O)C2CCN(C3=CC=[NH+]C=C3)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405845	0	54	0.0	-64.25	410.73	3.26	-60.99
C[C@@H](C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+](C)C	REAL300029405848	0	47	0.0	-58.29	351.36	3.10	-55.19
CCC1CCC[N@H+](CC(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029405900	0	57	0.0	-59.89	406.49	5.46	-54.43
CCC1CCC[N@@H+](CC(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029405900	1	57	0.0	-59.35	413.90	5.92	-53.43
C[C@@H]1[C@H](NC(=O)C2=CC=C(C[NH+](C)C)N2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405909	0	52	0.0	-61.81	399.79	3.98	-57.83
C[C@@H]1[C@H](NC(=O)CC2CC3CCC(C2)[NH+]3C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405924	0	58	0.0	-61.95	411.47	5.76	-56.19
C[C@@H]1[C@H](NC(=O)CN2C=CSC2=[NH2+])CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405970	0	44	0.0	-56.82	360.07	2.99	-53.83
C[C@@H]1[C@H](NC(=O)CC[N@H+](C)CCO)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405983	0	51	0.0	-61.86	383.23	0.81	-61.05
C[C@@H]1[C@H](NC(=O)CC[N@@H+](C)CCO)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405983	1	51	0.0	-61.60	383.14	0.82	-60.78
C[C@@H](C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+](C)C	REAL300029405984	0	47	0.0	-58.29	351.36	3.10	-55.19
C[C@@H]1[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405988	0	51	0.0	-56.63	374.91	4.23	-52.40
C[C@@H]1[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405988	1	51	0.0	-58.93	365.53	4.21	-54.72
CC1CN2CC[N@@H+]1CC2C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029405998	0	54	0.0	-60.63	385.73	1.76	-58.87
CC1CN2CC[N@H+]1CC2C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029405998	1	54	0.0	-59.68	385.24	1.87	-57.81
COC1C[N@@H+]2CCCC2(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029406047	0	56	0.0	-53.17	410.87	3.74	-49.43
COC1C[N@H+]2CCCC2(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029406047	1	56	0.0	-53.21	407.82	3.48	-49.73
C[C@@H]1[C@H](NC(=O)CC2=CC3=C[NH+]=CN3C=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406063	0	49	0.0	-64.30	387.29	7.00	-57.30
C[C@@H]1[C@H](NC(=O)C[N@H+](C)C2CCSC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406096	0	52	0.0	-65.40	392.27	5.05	-60.35
C[C@@H]1[C@H](NC(=O)C[N@@H+](C)C2CCSC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406096	1	52	0.0	-64.94	392.48	5.04	-59.90
C[C@@H]1[C@H](NC(=O)C2=CC=NC(C[NH+](C)C)=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406135	1	53	0.0	-64.85	407.09	4.82	-60.03
C[C@@H]1[C@H](NC(=O)C=C2CC[N@H+](C)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406137	0	49	0.0	-66.32	371.91	4.34	-61.98
C[C@@H]1[C@H](NC(=O)C=C2CC[N@@H+](C)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406137	1	49	0.0	-66.02	370.68	4.22	-61.80
C[C@@H]1[C@H](NC(=O)C2C[NH+](C3CCCCC3)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406164	0	58	0.0	-61.40	425.07	6.08	-55.32
C[C@@H]1[C@H](NC(=O)COCC[NH+](C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406182	0	51	0.0	-62.74	388.77	3.86	-58.88
CCCCC[N@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029406189	0	59	0.0	-63.11	437.37	6.32	-56.79
CCCCC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029406189	1	59	0.0	-63.13	437.37	6.34	-56.79
C[C@@H]1[C@H](NC(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406199	0	55	0.0	-64.34	411.74	4.76	-59.58
C=CCC(C)(C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+](C)C	REAL300029406211	0	54	0.0	-54.28	385.08	4.51	-49.77
C[C@@H]1[C@H](NC(=O)C(O)CC[S+](C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406216	0	50	0.0	-59.26	398.78	2.48	-56.78
C[C@@H]1[C@H](NC(=O)C2(C)CC(O)C[N@@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406251	0	52	0.0	-59.55	374.88	1.06	-58.49
C[C@@H]1[C@H](NC(=O)C2CN(C)CC[N@H+](C)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406266	0	56	0.0	-62.41	402.91	2.96	-59.45
C[C@@H]1[C@H](NC(=O)C2CN(C)CC[N@@H+](C)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406266	1	56	0.0	-62.41	402.91	2.96	-59.45
CC(C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[N@@H+]1CCCC(O)C1	REAL300029406267	0	55	0.0	-56.59	402.93	1.62	-54.97
C[C@@H]1[C@H](NC(=O)CN2CCC(CO)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406282	0	55	0.0	-60.97	406.21	1.83	-59.14
C[C@@H]1[C@H](NC(=O)C[NH+]2CCC(CO)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406282	1	55	0.0	-60.97	406.21	1.83	-59.14
C[C@@H]1[C@H](NC(=O)CC2(O)CCC[N@H+](C)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406292	0	55	0.0	-60.21	400.26	3.07	-57.14
C[C@@H]1[C@H](NC(=O)CC2(O)CCC[N@@H+](C)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406292	1	55	0.0	-60.21	400.26	3.07	-57.14
CC1CN(CC(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029406296	0	48	0.0	-59.96	364.14	3.91	-56.05
CC1C[NH+](CC(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029406296	1	48	0.0	-59.96	364.14	3.91	-56.05
C[C@@H]1[C@H](NC(=O)CN2CCC(C(N)=O)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406301	0	55	0.0	-68.92	410.60	1.35	-67.57
C[C@@H]1[C@H](NC(=O)C[NH+]2CCC(C(N)=O)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406301	1	55	0.0	-68.92	410.60	1.35	-67.57
C[C@@H]1[C@H](NC(=O)CN(C)CCO)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406326	0	48	0.0	-60.68	360.87	0.25	-60.43
C[C@@H]1[C@H](NC(=O)C[N@H+](C)CCO)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406326	1	48	0.0	-59.99	360.69	0.27	-59.72
C[C@@H]1[C@H](NC(=O)C[N@@H+](C)CCO)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406326	1	48	0.0	-59.99	360.69	0.27	-59.72
C[C@@H]1[C@H](NC(=O)C=C2CC3CCC(C2)[NH+]3C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406349	0	56	0.0	-64.79	406.22	5.68	-59.11
C[C@@H]1[C@H](NC(=O)C2C[N@@H+]3CCN2CCC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406354	0	54	0.0	-63.03	382.40	2.45	-60.58
C[C@@H]1[C@H](NC(=O)C2C[N@H+]3CCN2CCC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406354	1	54	0.0	-63.03	382.40	2.45	-60.58
CC[N@@H+]1CCCC(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029406363	0	54	0.0	-57.00	388.82	5.13	-51.87
CC[N@H+]1CCCC(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029406363	1	54	0.0	-57.00	388.82	5.13	-51.87
CC(CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)C[NH+](C)C	REAL300029406365	0	53	0.0	-63.07	389.88	4.78	-58.29
CC[N@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029406381	0	47	0.0	-59.87	350.63	3.48	-56.39
C[C@@H]1[C@H](NC(=O)C23CCC[N@@H+]2CCCC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406410	0	55	0.0	-55.86	386.00	5.06	-50.80
C[C@@H]1[C@H](NC(=O)C23CCC[N@H+]2CCCC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406410	1	55	0.0	-55.86	386.00	5.06	-50.80
C[C@@H]1[C@H](NC(=O)C23CCC[N@@H+]2CC=CC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406420	0	53	0.0	-54.49	373.92	5.48	-49.01
C[C@@H]1[C@H](NC(=O)C23CCC[N@H+]2CC=CC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406420	1	53	0.0	-54.49	373.92	5.48	-49.01
CC[N@H+](CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)C1CC1	REAL300029406448	0	51	0.0	-56.57	378.72	4.69	-51.88
CC[NH+](CC)CCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029406473	0	53	0.0	-60.60	390.68	4.72	-55.88
C[C@@H]1[C@H](NC(=O)CCCC[NH+]2CCCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406513	0	60	0.0	-63.35	439.78	6.82	-56.53
C[C@@H]1[C@H](NC(=O)C[N@@H+]2CCC(C)(O)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406548	0	52	0.0	-58.72	389.39	1.08	-57.64
C[C@@H]1[C@H](NC(=O)C=CC[NH+](C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406561	0	48	0.0	-65.59	370.15	4.06	-61.53
CC(OCC[NH+](C)C)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029406588	0	54	0.0	-63.17	407.78	4.57	-58.60
C[C@@H]1[C@H](NC(=O)CCOCC[NH+](C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406599	0	54	0.0	-62.68	409.60	3.60	-59.08
COCCN(C)CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029406600	0	51	0.0	-59.81	383.29	2.64	-57.17
COCC[N@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029406600	1	51	0.0	-60.59	383.20	2.66	-57.93
COCC[N@@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029406600	1	51	0.0	-60.59	383.20	2.66	-57.93
COCCCC[N@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029406632	0	60	0.0	-65.69	449.55	4.63	-61.06
COCCCC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029406632	1	60	0.0	-65.69	449.55	4.63	-61.06
C[C@@H]1[C@H](NC(=O)C2([NH+](C)C)CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406658	0	54	0.0	-59.79	377.61	4.98	-54.81
CC(CCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+](C)C	REAL300029406661	0	53	0.0	-61.71	386.30	4.51	-57.20
CCN1CCC1C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029406671	0	48	0.0	-58.45	357.75	3.45	-55.00
CC[N@@H+]1CCC1C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029406671	1	48	0.0	-57.27	357.38	3.30	-53.97
CC[N@H+]1CCC1C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029406671	1	48	0.0	-57.27	357.38	3.30	-53.97
CC(C)[N@@H+]1CCCC(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029406684	0	57	0.0	-56.72	405.57	5.79	-50.93
CC(C)[N@H+]1CCCC(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029406684	1	57	0.0	-56.72	405.57	5.79	-50.93
C[C@@H]1[C@H](NC(=O)C[N@@H+]2CCCC2CO)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406699	0	52	0.0	-57.17	385.87	1.21	-55.96
C[C@@H]1[C@H](NC(=O)C2CC3CCCC[N@@H+]3C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406726	0	55	0.0	-57.86	400.40	5.49	-52.37
C[C@@H]1[C@H](NC(=O)C2CC3CCCC[N@H+]3C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406726	1	55	0.0	-57.86	400.40	5.49	-52.37
C[C@@H]1[C@H](NC(=O)C2(C)CC[NH+](C)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406735	0	54	0.0	-60.27	390.05	4.72	-55.55
CC(C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)N1CCC(O)CC1	REAL300029406762	0	55	0.0	-59.72	403.77	1.72	-58.00
CC(C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+]1CCC(O)CC1	REAL300029406762	1	55	0.0	-59.72	403.77	1.72	-58.00
C=CCC(C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+](C)C	REAL300029406778	0	51	0.0	-56.81	376.44	4.19	-52.62
C[C@@H]1[C@H](NC(=O)C2CC(C)(C)C[N@@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406796	0	54	0.0	-58.60	392.85	4.49	-54.11
C[C@@H]1[C@H](NC(=O)CCCCC[NH+](C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406801	0	56	0.0	-65.35	419.64	5.73	-59.62
CC1C[N@@H+]2CCN1C(C(=O)N[C@@H]1CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]1C)C2	REAL300029406849	0	54	0.0	-62.66	386.07	1.80	-60.86
CC1C[N@H+]2CCN1C(C(=O)N[C@@H]1CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]1C)C2	REAL300029406849	1	54	0.0	-62.15	385.88	1.81	-60.34
CCCC(C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+](C)C	REAL300029406850	0	53	0.0	-59.50	383.99	4.53	-54.97
C[C@@H]1[C@H](NC(=O)C(C)(C)[NH+](C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406855	0	50	0.0	-53.98	356.26	3.65	-50.33
CC[NH+](CC)CCSCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029406896	0	57	0.0	-64.70	431.10	5.80	-58.90
C[C@@H]1[C@H](NC(=O)C2CCCC[N@@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406908	0	51	0.0	-58.97	365.61	4.23	-54.74
C[C@@H]1[C@H](NC(=O)C2CCCC[N@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406908	1	51	0.0	-57.63	374.85	4.38	-53.25
C[C@@H]1[C@H](NC(=O)CC2=CC[N@H+](C)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406960	0	52	0.0	-63.90	391.94	4.98	-58.92
C[C@@H]1[C@H](NC(=O)CC2=CC[N@@H+](C)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406960	1	52	0.0	-63.06	391.95	4.98	-58.08
C[C@@H]1[C@H](NC(=O)CC2([NH+]3CCCC3)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406970	0	55	0.0	-57.94	397.99	5.56	-52.38
C[C@@H]1[C@H](NC(=O)C(C)(C)C2CCC[N@H+](C)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407029	0	60	0.0	-65.79	415.30	5.47	-60.32
C[C@@H]1[C@H](NC(=O)C(C)(C)C2CCC[N@@H+](C)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407029	1	60	0.0	-65.79	415.30	5.47	-60.32
C[C@@H]1[C@H](NC(=O)C2=CC=C(CN(C)C)O2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407034	0	51	0.0	-62.66	396.41	4.51	-58.15
C[C@@H]1[C@H](NC(=O)C2=CC=C(C[NH+](C)C)O2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407034	1	51	0.0	-62.66	396.41	4.51	-58.15
C[C@@H]1[C@H](NC(=O)C=CC[NH+]2CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407058	0	52	0.0	-64.01	395.23	5.22	-58.79
C[C@@H]1[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407085	0	55	0.0	-59.86	406.75	5.90	-53.96
C[C@@H]1[C@H](NC(=O)CC[NH+]2CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407114	0	51	0.0	-61.03	380.08	4.46	-56.57
C[C@@H]1[C@H](NC(=O)C23CC(C2)C[N@@H+]3C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407172	0	49	0.0	-55.66	361.47	3.84	-51.82
C[C@@H]1[C@H](NC(=O)C[N@@H+]2CC3CCC2C3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407188	0	52	0.0	-57.68	377.15	4.73	-52.95
CC(C)[NH+]1CCC(CC(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)CC1	REAL300029407200	0	60	0.0	-60.75	430.29	6.37	-54.38
C[C@@H]1[C@H](NC(=O)C=C2C[NH+]3CCC2CC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407251	0	53	0.0	-63.39	389.13	5.06	-58.33
C[C@@H]1[C@H](NC(=O)CN2CC3C=CC2C3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407263	0	50	0.0	-57.56	371.74	4.68	-52.88
C[C@@H]1[C@H](NC(=O)C[N@@H+]2CC3C=CC2C3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407263	1	50	0.0	-57.62	371.77	4.69	-52.93
C[C@@H]1[C@H](NC(=O)C[N@H+]2CC3C=CC2C3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407263	1	50	0.0	-57.62	371.77	4.69	-52.93
CC(C[NH+](C)C)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029407328	0	50	0.0	-62.31	371.31	4.06	-58.25
C[C@@H]1[C@H](NC(=O)CC2CCCC[N@@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407430	0	54	0.0	-56.57	384.67	4.85	-51.72
C[C@@H]1[C@H](NC(=O)CC2CCCC[N@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407430	1	54	0.0	-56.57	384.67	4.85	-51.72
CC1=C2C=C(C(=O)N[C@@H]3CCCN(C(=O)C4=CC(=O)[N-]O4)[C@@H]3C)C=CN2C=N1	REAL300029407453	0	49	0.0	-61.80	385.29	6.87	-54.93
CC1=C2C=C(C(=O)N[C@@H]3CCCN(C(=O)C4=CC(=O)[N-]O4)[C@@H]3C)C=CN2C=[NH+]1	REAL300029407453	1	49	0.0	-61.80	385.29	6.87	-54.93
CC(C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)N1CC(C)C1	REAL300029407454	0	51	0.0	-57.96	381.67	4.47	-53.49
CC(C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+]1CC(C)C1	REAL300029407454	1	51	0.0	-57.96	381.67	4.47	-53.49
CC1CCN1CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029407458	0	48	0.0	-57.52	364.14	3.77	-53.75
CC1CC[N@@H+]1CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029407458	1	48	0.0	-58.24	358.71	3.62	-54.62
CC1CC[N@H+]1CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029407458	1	48	0.0	-58.24	358.71	3.62	-54.62
C[C@@H]1[C@H](NC(=O)CC(O)C[NH+](C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407463	0	51	0.0	-65.86	385.51	1.84	-64.02
CC1CN(C)CC(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)O1	REAL300029407501	0	52	0.0	-64.44	384.29	3.55	-60.89
CC1C[N@H+](C)CC(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)O1	REAL300029407501	1	52	0.0	-63.55	384.13	3.41	-60.14
CC1C[N@@H+](C)CC(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)O1	REAL300029407501	1	52	0.0	-63.55	384.13	3.41	-60.14
C[C@@H]1[C@H](NC(=O)CC[NH+]2CCC(O)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407513	0	55	0.0	-65.01	408.01	1.87	-63.14
CCC[N@@H+]1CCCCC1C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029407516	0	57	0.0	-56.28	414.24	5.77	-50.51
CCC[N@H+]1CCCCC1C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029407516	1	57	0.0	-56.28	414.24	5.77	-50.51
CC[NH+]1CCN(CCC(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)CC1	REAL300029407521	0	59	0.0	-62.09	430.22	3.34	-58.75
CCN1CC[NH+](CCC(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)CC1	REAL300029407521	1	59	0.0	-62.09	430.22	3.34	-58.75
C[C@@H]1[C@H](NC(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407524	0	58	0.0	-56.26	407.50	6.14	-50.12
C[C@@H]1[C@H](NC(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407524	1	58	0.0	-56.26	407.50	6.14	-50.12
CC(C)C[NH+]1CCC(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)CC1	REAL300029407572	0	60	0.0	-61.93	434.21	6.54	-55.39
C[C@@H]1[C@H](NC(=O)CN2CCC([NH+](C)C)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407598	0	59	0.0	-65.32	426.70	3.38	-61.94
C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407620	0	51	0.0	-62.05	382.41	4.38	-57.67
CC(CC[NH+](C)C)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029407628	0	53	0.0	-63.36	392.84	4.55	-58.81
C[C@@H]1[C@H](NC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407662	0	55	0.0	-58.35	404.27	2.11	-56.24
C[C@@H]1[C@H](NC(=O)CN2CCN(C)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407677	0	53	0.0	-64.21	391.79	2.32	-61.89
C[C@@H]1[C@H](NC(=O)CN2CC[NH+](C)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407677	1	53	0.0	-64.21	391.79	2.32	-61.89
C[C@@H]1[C@H](NC(=O)CSC(N)=[NH2+])CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407718	0	42	0.0	-60.45	340.89	-0.25	-60.70
CC[N@H+]1CCOCC1CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029407766	1	55	0.0	-60.98	396.23	2.99	-57.99
C[C@@H]1[C@H](NC(=O)C2(CC[NH+](C)C)CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407785	0	60	0.0	-62.28	434.46	6.37	-55.91
CC1CCCC(C)[NH+]1CCC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029407787	0	60	0.0	-57.79	425.72	5.79	-52.00
C[C@@H]1[C@H](NC(=O)C2CCC([NH+](C)C)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407790	0	57	0.0	-60.65	404.99	5.34	-55.31
C[C@@H]1[C@H](NC(=O)C2(CC[NH+](C)C)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407791	0	54	0.0	-61.53	407.71	5.48	-56.05
C[C@@H]1[C@H](NC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407795	0	57	0.0	-61.33	405.11	5.34	-55.99
C[C@@H]1[C@H](NC(=O)CC2CC=CC[N@@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407796	0	52	0.0	-56.01	378.98	4.65	-51.36
C[C@@H]1[C@H](NC(=O)CC2CC=CC[N@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407796	1	52	0.0	-62.21	384.33	4.88	-57.33
C[C@@H](OCC[NH+](C)C)C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029407826	0	54	0.0	-61.18	408.31	4.41	-56.77
C[C@@H]1[C@H](NC(=O)C2CC3CCC(C2)[NH+]3C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407860	0	55	0.0	-60.57	392.89	5.01	-55.56
CC(C(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+]1CCSCC1	REAL300029408013	1	52	0.0	-59.54	386.76	4.57	-54.97
CCC1C[NH+](CC(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029408016	1	51	0.0	-60.58	385.51	4.68	-55.90
C[C@@H]1[C@H](NC(=O)C2C[NH+](C3CCOCC3)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029408018	0	56	0.0	-63.87	416.29	3.71	-60.16
C[C@@H]1[C@H](NC(=O)C2([NH+]3CCCC3)CCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029408020	0	55	0.0	-53.65	387.85	5.31	-48.34
C[C@@H]1[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029408031	0	48	0.0	-58.95	352.50	3.34	-55.61
C[C@@H]1[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029408031	1	48	0.0	-58.28	358.57	3.84	-54.44
C[C@@H]1[C@H](NC(=O)CC[N@@H+]2CCC(F)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029408041	0	51	0.0	-64.06	386.84	4.42	-59.64
C[C@@H]1[C@H](NC(=O)CC[N@H+]2CCC(F)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029408041	1	51	0.0	-65.07	387.62	4.62	-60.45
COC1C[N@H+](C)C(C)(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029408050	0	55	0.0	-54.37	401.33	3.31	-51.06
COC1C[N@@H+](C)C(C)(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029408050	1	55	0.0	-56.67	403.36	3.25	-53.42
C[C@@H]1[C@H](NC(=O)CC[NH+]2CCCCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029408063	0	57	0.0	-62.25	406.81	5.44	-56.81
C[C@@H]1[C@H](NC(=O)C[NH+]2CCCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029408065	0	51	0.0	-59.04	374.60	4.70	-54.34
CC1C(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)CC[N@@H+]1C	REAL300029408075	0	51	0.0	-59.51	374.00	3.85	-55.66
CC1C(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)CC[N@H+]1C	REAL300029408075	1	51	0.0	-60.30	378.74	4.39	-55.91
C[C@@H]1[C@H](NC(=O)CCC2CCCC[N@@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029408078	0	57	0.0	-60.34	406.65	5.38	-54.96
C[C@@H]1[C@H](NC(=O)CCC2CCCC[N@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029408078	1	57	0.0	-61.06	406.89	5.52	-55.54
C[C@@H]1[C@H](NC(=O)C2CC[N@@H+]3CCOCC23)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029408114	0	53	0.0	-62.58	392.55	3.12	-59.46
C[C@@H]1[C@H](NC(=O)C2CC[N@H+]3CCOCC23)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029408114	1	53	0.0	-62.66	391.93	3.10	-59.56
CC1=[NH+]C=C2C=CC(C(=O)N[C@@H]3CCCN(C(=O)C4=CC(=O)[N-]O4)[C@@H]3C)=CN21	REAL300029408122	0	49	0.0	-59.30	384.54	6.10	-53.20
C[C@@H]1[C@H](NC(=O)CC2COCC[N@@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029408142	1	52	0.0	-64.56	383.01	2.64	-61.92
C[C@@H]1[C@H](NC(=O)CC2COCC[N@H+]2C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029408142	1	52	0.0	-64.66	383.53	2.61	-62.05
CC1=C(C)[NH+]=C(CCC(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)N1	REAL300029408153	1	52	0.0	-56.76	403.12	4.11	-52.65
C[C@@H]1[C@H](NC(=O)C2CC[N@@H+]2CC2=CC=CC=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029408168	1	55	0.0	-58.83	417.41	6.57	-52.26
C[C@@H]1[C@H](NC(=O)C2CC[N@H+]2CC2=CC=CC=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029408168	1	55	0.0	-57.84	417.73	6.37	-51.47
CC(C)C[N@@H+]1CCCC(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029408172	0	60	0.0	-57.75	427.84	6.71	-51.04
CC(C)C[N@H+]1CCCC(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029408172	1	60	0.0	-57.47	424.48	6.53	-50.94
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCC[N@@H+]1C	REAL300029408339	0	48	0.0	-69.34	354.46	3.50	-65.84
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCC[N@H+]1C	REAL300029408339	1	48	0.0	-62.97	353.02	3.49	-59.48
CC1=[NH+]C=CN1CCCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029408533	1	52	0.0	-62.79	407.05	5.89	-56.90
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCCC[NH+]1CCOCC1	REAL300029408537	1	58	0.0	-72.26	434.20	4.60	-67.66
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300029408541	0	54	0.0	-76.70	411.60	6.05	-70.65
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC[NH+]1CCOCC1	REAL300029408542	1	52	0.0	-71.18	391.31	3.00	-68.18
CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029408561	0	62	0.0	-66.79	457.86	7.13	-59.66
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300029408589	1	46	0.0	-74.21	365.17	6.14	-68.07
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCCC([NH+](C)C)C1	REAL300029408654	0	57	0.0	-65.65	411.46	5.54	-60.11
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1CC[N@H+](C)C1	REAL300029408659	0	51	0.0	-68.53	383.01	4.59	-63.94
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1CC[N@@H+](C)C1	REAL300029408659	1	51	0.0	-69.71	382.20	4.54	-65.17
CCC(C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)[NH+](C)C	REAL300029408676	0	50	0.0	-62.28	365.61	3.97	-58.31
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300029408685	1	49	0.0	-81.11	392.54	4.73	-76.38
CC1CC2CCC(C(=O)N3CCC[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]3C)C[N@@H+]2C1	REAL300029408728	0	58	0.0	-61.45	414.59	6.30	-55.15
CC1CC2CCC(C(=O)N3CCC[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]3C)C[N@H+]2C1	REAL300029408728	1	58	0.0	-67.39	420.55	6.10	-61.29
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCCC[NH+](C)C	REAL300029408757	0	53	0.0	-68.74	401.40	5.13	-63.61
CCC[N@H+](C)CCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029408778	0	53	0.0	-68.78	397.63	4.94	-63.84
CCC[N@@H+](C)CCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029408778	1	53	0.0	-68.59	397.64	4.96	-63.63
CCC[N@H+](C)CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029408782	0	50	0.0	-67.76	375.12	4.37	-63.39
CCC[N@@H+](C)CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029408782	1	50	0.0	-68.07	375.12	4.37	-63.70
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C12CC[N@H+](C1)CCC2	REAL300029408805	0	52	0.0	-68.40	369.33	3.83	-64.57
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300029408805	1	52	0.0	-70.30	368.57	3.80	-66.50
CCCCCC[N@H+](C)CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029408844	0	59	0.0	-67.52	439.65	6.67	-60.85
CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029408844	1	59	0.0	-69.31	439.61	6.71	-62.60
CC1CC[NH+](CC(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)CC1	REAL300029408890	0	54	0.0	-68.38	398.47	5.44	-62.94
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300029408915	1	49	0.0	-73.77	391.29	4.04	-69.73
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)COC1CC[NH+](C)CC1	REAL300029408922	0	55	0.0	-73.86	415.84	4.98	-68.88
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC2CCCC[N@@H+]2C1	REAL300029408980	0	55	0.0	-72.46	399.63	5.43	-67.03
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC2CCCC[N@H+]2C1	REAL300029408980	1	55	0.0	-65.80	400.22	5.45	-60.35
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1(C[NH+](C)C)CC1	REAL300029408992	0	51	0.0	-74.61	383.39	4.49	-70.12
CC1=[NH+]C=C2CCC(C(=O)N3CCC[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]3C)CN21	REAL300029408993	1	53	0.0	-63.64	401.36	5.47	-58.17
CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)CC1	REAL300029409003	0	57	0.0	-71.82	407.82	5.36	-66.46
CC[N@H+](C)CCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029409037	0	50	0.0	-68.07	376.13	4.20	-63.87
CC[N@@H+](C)CCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029409037	1	50	0.0	-67.93	376.14	4.22	-63.71
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1C[NH+]2CCC1CC2	REAL300029409082	0	52	0.0	-77.84	372.99	4.41	-73.43
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[NH+](C)CC1	REAL300029409164	0	51	0.0	-70.60	376.64	4.41	-66.19
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[NH+](CC2CC2)CC1	REAL300029409251	0	58	0.0	-69.36	423.31	6.36	-63.00
CC[NH+](CC)CC(F)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029409294	0	53	0.0	-72.32	397.72	4.97	-67.35
CC(C)C[N@@H+]1CCC(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C1	REAL300029409328	0	57	0.0	-69.25	418.07	5.80	-63.45
CC(C)C[N@H+]1CCC(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C1	REAL300029409328	1	57	0.0	-67.62	416.54	5.73	-61.89
CCC(C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)[NH+](CC)CC	REAL300029409357	0	56	0.0	-60.46	396.60	5.11	-55.35
CC1CCC[N@@H+]1CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029409382	0	51	0.0	-63.37	381.36	4.71	-58.66
CC1CCC[N@H+]1CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029409382	1	51	0.0	-62.93	374.69	4.31	-58.62
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029409459	1	55	0.0	-61.37	421.45	6.14	-55.23
CC(C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)[NH+]1CCCCCC1	REAL300029409463	0	57	0.0	-63.68	402.94	5.30	-58.38
CC(C)[N@@H+]1CCCC1C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029409494	0	54	0.0	-64.01	370.82	4.85	-59.16
CC(C)[N@H+]1CCCC1C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029409494	1	54	0.0	-66.36	385.87	5.10	-61.26
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029409503	0	57	0.0	-55.15	405.90	5.49	-49.66
CC(C)[N@H+]1CCCC1CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029409503	1	57	0.0	-65.04	415.59	5.61	-59.43
CC1CC[N@H+](CC(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C1	REAL300029409549	0	51	0.0	-66.22	382.31	4.56	-61.66
CC1CC[N@@H+](CC(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C1	REAL300029409549	1	51	0.0	-67.50	381.22	4.72	-62.78
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1(F)CC[N@@H+](C(C)(C)C)C1	REAL300029409550	0	57	0.0	-65.75	414.21	5.16	-60.59
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1(F)CC[N@H+](C(C)(C)C)C1	REAL300029409550	1	57	0.0	-60.21	412.89	5.08	-55.13
CC1=[NH+]C=C2CC(C(=O)N3CCC[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]3C)CCN21	REAL300029409551	1	53	0.0	-64.89	401.37	5.53	-59.36
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300029409554	0	54	0.0	-67.03	400.84	5.20	-61.83
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@H+]1CCC(C)(C)C1	REAL300029409554	1	54	0.0	-65.82	401.51	5.18	-60.64
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@H+](C)CC(C)(C)C	REAL300029409555	0	56	0.0	-68.28	405.90	5.55	-62.73
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@@H+](C)CC(C)(C)C	REAL300029409555	1	56	0.0	-67.86	403.92	5.34	-62.52
CC[C@@H](C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)[NH+](C)C	REAL300029409564	0	50	0.0	-64.92	360.84	3.80	-61.12
CC(COCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)[NH+]1CCCC1	REAL300029409571	0	58	0.0	-63.60	434.45	5.64	-57.96
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCN(C)C1=CC=[NH+]C=C1	REAL300029409716	0	53	0.0	-67.61	410.52	4.64	-62.97
CC1=[NH+]C=CN1CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029409824	1	46	0.0	-62.10	365.36	4.56	-57.54
CC(C[NH+]1CCOCC1)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029409826	1	55	0.0	-69.53	407.12	3.56	-65.97
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCC[NH+]1CCCCC1	REAL300029409844	0	57	0.0	-66.85	421.54	6.23	-60.62
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300029409859	1	50	0.0	-72.52	391.00	4.22	-68.30
CC1=C(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C=CC2=C[NH+]=CN21	REAL300029409861	0	49	0.0	-72.53	388.75	6.52	-66.01
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029409907	1	52	0.0	-62.48	401.66	5.70	-56.78
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300029409954	0	55	0.0	-70.66	386.58	5.39	-65.27
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCCC2CCC[N@H+]21	REAL300029409954	1	55	0.0	-61.37	396.36	5.48	-55.89
CC[N@@H+]1CCOC(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C1	REAL300029409985	1	52	0.0	-73.04	387.24	3.70	-69.34
CC[N@H+]1CCOC(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C1	REAL300029409985	1	52	0.0	-60.82	377.84	3.48	-57.34
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300029410047	0	46	0.0	-68.42	363.31	6.09	-62.33
CC1=C[NH+]=CN1CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029410052	1	46	0.0	-66.92	365.69	5.26	-61.66
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300029410057	0	54	0.0	-74.10	416.29	4.09	-70.01
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300029410070	0	54	0.0	-82.12	417.47	4.79	-77.33
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)CC[N@@H+]1C	REAL300029410077	0	51	0.0	-72.75	370.99	4.42	-68.33
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)CC[N@H+]1C	REAL300029410077	1	51	0.0	-73.25	378.04	4.24	-69.01
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029410079	1	55	0.0	-62.40	421.85	6.22	-56.18
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)CC[N@@H+]1C	REAL300029410082	0	54	0.0	-72.12	388.83	4.48	-67.64
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)CC[N@H+]1C	REAL300029410082	1	54	0.0	-69.24	392.82	4.88	-64.36
CC1CCC(C)[NH+]1CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029410098	0	54	0.0	-62.54	391.21	4.82	-57.72
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCC[NH+]1CCCC1	REAL300029410105	0	54	0.0	-66.80	404.84	5.46	-61.34
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300029410106	0	54	0.0	-66.73	413.24	6.12	-60.61
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)CC1	REAL300029410112	0	53	0.0	-72.55	401.36	5.56	-66.99
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC[NH+]1CCCCC1	REAL300029410113	0	54	0.0	-67.50	400.04	5.42	-62.08
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1C=[NH+]C2=C1CCCC2	REAL300029410131	1	53	0.0	-67.43	407.60	6.99	-60.44
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1(C[NH+](C)C)CCCCC1	REAL300029410164	0	60	0.0	-59.97	399.45	5.60	-54.37
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC[N@H+](C)C1CCCCC1	REAL300029410168	0	60	0.0	-68.30	434.46	6.59	-61.71
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC[N@@H+](C)C1CCCCC1	REAL300029410168	1	60	0.0	-69.45	434.50	6.59	-62.86
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1([NH+](C)C)CCCC1	REAL300029410171	0	57	0.0	-69.34	399.91	5.43	-63.91
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@H+](C)C1CCC1	REAL300029410368	0	51	0.0	-65.22	382.26	4.92	-60.30
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@@H+](C)C1CCC1	REAL300029410368	1	51	0.0	-64.97	382.11	4.93	-60.04
CC(C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)[NH+]1C(C)CCC1C	REAL300029410393	0	57	0.0	-61.92	401.75	4.92	-57.00
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCCC[NH+]1CCCC1	REAL300029410412	0	57	0.0	-67.39	426.35	6.24	-61.15
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300029410415	1	54	0.0	-72.83	412.60	6.54	-66.29
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300029410415	1	54	0.0	-72.12	412.55	6.54	-65.58
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[NH+](C)CC1	REAL300029410430	0	51	0.0	-70.60	376.64	4.41	-66.19
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)[C@H]1CCC[N@@H+]1C	REAL300029410482	0	48	0.0	-63.98	357.89	3.77	-60.21
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)[C@H]1CCC[N@H+]1C	REAL300029410482	1	48	0.0	-62.97	353.03	3.50	-59.47
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCC1CCC[N@@H+]1C	REAL300029410513	0	54	0.0	-66.90	397.74	5.01	-61.89
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCC1CCC[N@H+]1C	REAL300029410513	1	54	0.0	-66.56	397.48	5.03	-61.53
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300029410529	0	55	0.0	-60.58	400.01	5.70	-54.88
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCC2CCCC[N@H+]21	REAL300029410529	1	55	0.0	-63.43	399.56	5.69	-57.74
CCC[N@@H+]1CCCC(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C1	REAL300029410606	0	57	0.0	-59.04	406.19	5.90	-53.14
CCC[N@H+]1CCCC(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C1	REAL300029410606	1	57	0.0	-62.53	409.70	5.91	-56.62
CC(C)[N@@H+]1CCOC(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C1	REAL300029410622	1	55	0.0	-74.24	396.79	4.04	-70.20
CC(C)[N@H+]1CCOC(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C1	REAL300029410622	1	55	0.0	-76.71	403.10	4.14	-72.57
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[NH+]1CCC(CO)CC1	REAL300029410696	0	55	0.0	-69.31	409.34	2.12	-67.19
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C=C1CC2CCC(C1)[NH+]2C	REAL300029410733	0	56	0.0	-67.23	408.09	5.89	-61.34
CC1C(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)CC[N@@H+]1C	REAL300029410751	0	51	0.0	-61.58	376.27	4.23	-57.35
CC1C(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)CC[N@H+]1C	REAL300029410751	1	51	0.0	-71.98	375.34	4.63	-67.35
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCC1CCCC[N@@H+]1C	REAL300029410755	0	57	0.0	-65.34	417.17	5.92	-59.42
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCC1CCCC[N@H+]1C	REAL300029410755	1	57	0.0	-69.29	409.86	5.77	-63.52
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC2=C(CCC2)[NH+]=C1N	REAL300029410788	1	51	0.0	-58.67	392.06	3.73	-54.94
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300029410854	0	54	0.0	-61.56	374.05	3.69	-57.87
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[N@H+]1C(C)(C)C	REAL300029410854	1	54	0.0	-65.50	377.78	3.85	-61.65
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300029410872	0	54	0.0	-70.99	409.54	3.43	-67.56
C[C@@H](C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)[NH+](C)C	REAL300029410877	0	47	0.0	-67.36	351.53	3.29	-64.07
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=NC(C[NH+](C)C)=C1	REAL300029410897	1	53	0.0	-64.45	408.74	4.64	-59.81
C=CCC(C)(C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)[NH+](C)C	REAL300029410903	0	54	0.0	-68.11	379.63	4.28	-63.83
CC[NH+](CC)CCSCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029410936	0	57	0.0	-71.62	434.11	6.07	-65.55
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=C(N)C2=CC=CC=C2[NH+]=C1	REAL300029410937	1	50	0.0	-64.88	389.65	3.12	-61.76
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC[NH+]1CCCC1	REAL300029410942	0	51	0.0	-67.45	383.34	4.65	-62.80
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@H+](C)CCO	REAL300029410951	1	48	0.0	-68.47	364.14	0.37	-68.10
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@@H+](C)CCO	REAL300029410951	1	48	0.0	-67.35	363.96	0.39	-66.96
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1C[N@@H+]2CCN1CCC2	REAL300029410989	0	54	0.0	-64.50	382.26	2.16	-62.34
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1C[N@H+]2CCN1CCC2	REAL300029410989	1	54	0.0	-77.99	381.69	2.10	-75.89
CC(C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)[NH+]1CCSCC1	REAL300029411016	1	52	0.0	-67.64	392.55	4.90	-62.74
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1=CC[N@H+](C)CC1	REAL300029411060	0	52	0.0	-65.23	395.06	5.30	-59.93
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1=CC[N@@H+](C)CC1	REAL300029411060	1	52	0.0	-64.06	395.08	5.33	-58.73
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C(O)CC[S+](C)C	REAL300029411075	0	50	0.0	-78.46	396.45	2.18	-76.28
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CN(C)CC[N@H+](C)C1	REAL300029411114	0	56	0.0	-65.51	402.67	2.92	-62.59
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CN(C)CC[N@@H+](C)C1	REAL300029411114	1	56	0.0	-63.09	407.02	2.54	-60.55
CC(C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)[N@@H+]1CCCC(O)C1	REAL300029411115	0	55	0.0	-62.35	402.17	1.94	-60.41
CC(C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)[N@H+]1CCCC(O)C1	REAL300029411115	1	55	0.0	-61.49	402.17	1.94	-59.55
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1(O)CCC[N@H+](C)C1	REAL300029411154	0	55	0.0	-67.28	393.65	3.11	-64.17
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1(O)CCC[N@@H+](C)C1	REAL300029411154	1	55	0.0	-64.96	403.53	3.30	-61.66
CC1C[NH+](CC(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C1	REAL300029411160	1	48	0.0	-68.91	365.98	4.13	-64.78
CC[N@@H+]1CCCC(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C1	REAL300029411166	0	54	0.0	-60.24	388.36	5.28	-54.96
CC[N@H+]1CCCC(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C1	REAL300029411166	1	54	0.0	-68.15	394.37	5.02	-63.13
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1=CC=C[NH+]=C1N	REAL300029411177	0	47	0.0	-60.42	370.15	2.82	-57.60
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCC[N@@H+]1C1CC1	REAL300029411190	0	52	0.0	-69.76	387.25	4.90	-64.86
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCC[N@H+]1C1CC1	REAL300029411190	1	52	0.0	-61.02	386.04	5.09	-55.93
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C=CC[NH+]1CCCC1	REAL300029411240	0	52	0.0	-69.87	397.18	5.35	-64.52
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300029411265	0	55	0.0	-68.19	406.01	5.81	-62.38
CC[N@H+](C)CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029411310	0	47	0.0	-67.71	353.62	3.61	-64.10
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1CC2C=CC1C2	REAL300029411375	0	50	0.0	-63.19	374.77	4.83	-58.36
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@@H+]1CC2C=CC1C2	REAL300029411375	1	50	0.0	-64.26	375.51	4.81	-59.45
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@H+]1CC2C=CC1C2	REAL300029411375	1	50	0.0	-64.26	375.51	4.81	-59.45
CC1=CC=C(NCCC(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)N=C1	REAL300029411398	0	53	0.0	-63.03	414.91	4.39	-58.64
CC1=CC=C(NCCC(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)[NH+]=C1	REAL300029411398	1	53	0.0	-63.03	414.91	4.39	-58.64
CC(OCC[NH+](C)C)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029411534	0	54	0.0	-61.10	407.44	4.36	-56.74
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCOCC[NH+](C)C	REAL300029411546	0	54	0.0	-68.67	412.88	3.76	-64.91
COCCN(C)CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029411548	0	51	0.0	-65.13	386.22	2.78	-62.35
COCC[N@H+](C)CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029411548	1	51	0.0	-70.05	386.23	2.79	-67.26
COCC[N@@H+](C)CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029411548	1	51	0.0	-70.05	386.23	2.79	-67.26
CC(CCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)[NH+](C)C	REAL300029411555	0	53	0.0	-66.94	393.45	4.71	-62.23
CC[N@H+](CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)C1CC1	REAL300029411590	0	51	0.0	-64.94	381.78	4.96	-59.98
CC1C[N@@H+]2CCN1C(C(=O)N1CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C)C2	REAL300029411601	0	54	0.0	-67.62	385.22	1.60	-66.02
CC1=NC(N)=CC=C1C=CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029411643	0	51	0.0	-67.68	399.86	3.65	-64.03
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029411643	1	51	0.0	-67.68	399.86	3.65	-64.03
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@@H+]1CC2CCC1C2	REAL300029411651	0	52	0.0	-66.32	379.99	4.86	-61.46
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@H+]1CC2CCC1C2	REAL300029411651	1	52	0.0	-66.32	379.99	4.86	-61.46
CC(C)[NH+]1CCC(CC(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)CC1	REAL300029411665	0	60	0.0	-61.41	429.79	6.30	-55.11
CC(C[NH+](C)C)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029411679	0	50	0.0	-70.60	371.76	4.02	-66.58
CCN1CCC1C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029411731	0	48	0.0	-64.36	360.51	3.58	-60.78
CC[N@@H+]1CCC1C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029411731	1	48	0.0	-66.07	359.18	3.61	-62.46
CC[N@H+]1CCC1C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029411731	1	48	0.0	-66.07	359.18	3.61	-62.46
CC(C)[N@@H+]1CCCC(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C1	REAL300029411744	0	57	0.0	-66.75	411.03	5.55	-61.20
CC(C)[N@H+]1CCCC(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C1	REAL300029411744	1	57	0.0	-66.75	411.03	5.55	-61.20
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029411762	0	56	0.0	-66.79	398.90	3.33	-63.46
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C#CC[N@H+]1CCCCC1C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029411812	1	53	0.0	-63.69	390.54	5.27	-58.42
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CNC1=NC(C)=CC=C1C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029411815	0	50	0.0	-60.97	388.04	3.60	-57.37
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CCCC(C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)[NH+](C)C	REAL300029411828	0	53	0.0	-66.08	384.05	4.55	-61.53
CC(CC[NH+](C)C)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029411856	0	53	0.0	-68.45	391.44	4.54	-63.91
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300029411914	0	58	0.0	-70.67	402.50	5.52	-65.15
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300029411914	1	58	0.0	-56.63	404.34	6.14	-50.49
COCCCC[N@H+](C)CCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029411991	0	60	0.0	-72.58	452.81	4.79	-67.79
COCCCC[N@@H+](C)CCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029411991	1	60	0.0	-72.34	452.81	4.81	-67.53
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300029412001	0	54	0.0	-63.29	398.55	5.01	-58.28
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC(C)(C)C[N@H+]1C	REAL300029412001	1	54	0.0	-60.76	394.76	4.61	-56.15
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCCCC[NH+](C)C	REAL300029412007	0	56	0.0	-68.33	422.90	5.91	-62.42
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC[NH+]1CCC(O)CC1	REAL300029412012	0	55	0.0	-70.31	411.13	2.07	-68.24
CCC[N@@H+]1CCCCC1C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029412017	0	57	0.0	-65.55	414.73	5.85	-59.70
CCC[N@H+]1CCCCC1C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029412017	1	57	0.0	-69.30	407.80	5.56	-63.74
CC[NH+]1CCN(CCC(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)CC1	REAL300029412026	0	59	0.0	-66.55	434.65	3.65	-62.90
CCN1CC[NH+](CCC(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)CC1	REAL300029412026	1	59	0.0	-69.33	434.65	3.65	-65.68
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1CC[NH+](C)CC1	REAL300029412030	1	53	0.0	-64.61	394.99	2.45	-62.16
CC(C)C[NH+]1CCC(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)CC1	REAL300029412154	0	60	0.0	-70.81	433.13	6.50	-64.31
CC1C[N@H+](C)CC(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)O1	REAL300029412157	1	52	0.0	-82.25	389.74	3.73	-78.52
CC1C[N@@H+](C)CC(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)O1	REAL300029412157	1	52	0.0	-73.71	389.55	3.72	-69.99
CCC1CCC[N@H+](CC(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C1	REAL300029412193	0	57	0.0	-68.17	409.87	6.03	-62.14
CCC1CCC[N@@H+](CC(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C1	REAL300029412193	1	57	0.0	-66.63	416.90	6.02	-60.61
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(C[NH+](C)C)N1	REAL300029412203	0	52	0.0	-83.19	398.22	4.49	-78.70
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[NH+]1CC2CC2C1	REAL300029412225	0	49	0.0	-67.89	371.36	4.84	-63.05
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1([NH+]2CCCC2)CC1	REAL300029412243	0	55	0.0	-65.16	402.01	5.75	-59.41
CC([NH2+]C1(CO)CCCC1)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029412260	0	58	0.0	-68.12	416.24	0.85	-67.27
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCCC[N@@H+]1C	REAL300029412289	0	51	0.0	-61.06	376.25	4.52	-56.54
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCCC[N@H+]1C	REAL300029412289	1	51	0.0	-64.78	374.59	4.43	-60.35
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300029412295	1	55	0.0	-65.91	418.97	6.57	-59.34
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[N@H+]1CC1=CC=CC=C1	REAL300029412295	1	55	0.0	-71.85	426.08	6.86	-64.99
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C1	REAL300029412302	0	60	0.0	-66.10	433.66	6.43	-59.67
CC(C)C[N@H+]1CCCC(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C1	REAL300029412302	1	60	0.0	-66.27	432.56	6.39	-59.88
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1CCC([NH+](C)C)CC1	REAL300029412357	0	59	0.0	-69.01	429.62	3.67	-65.34
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C=C1CC[N@H+](C)C1	REAL300029412422	0	49	0.0	-71.20	372.86	4.55	-66.65
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C=C1CC[N@@H+](C)C1	REAL300029412422	1	49	0.0	-68.95	372.91	4.51	-64.44
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CNC1=CC=[NH+]C=C1	REAL300029412429	0	47	0.0	-68.47	371.66	2.24	-66.23
CC[NH+]1CCN(CC(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)CC1	REAL300029412491	0	56	0.0	-62.88	412.73	3.13	-59.75
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C=C1C[NH+]2CCC1CC2	REAL300029412492	0	53	0.0	-63.55	391.06	5.35	-58.20
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300029412551	0	55	0.0	-63.94	406.83	2.32	-61.62
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O	REAL300029412551	1	55	0.0	-63.56	407.09	2.11	-61.45
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1C[NH+](C2CCOCC2)C1	REAL300029412560	0	56	0.0	-72.08	418.01	3.87	-68.21
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)[C@@H]1CCC[N@@H+]1C	REAL300029412575	0	48	0.0	-69.35	354.34	3.49	-65.86
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)[C@@H]1CCC[N@H+]1C	REAL300029412575	1	48	0.0	-64.31	355.75	3.68	-60.63
CCN1CCOCC1CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029412613	0	55	0.0	-71.21	399.64	3.30	-67.91
CC[N@@H+]1CCOCC1CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029412613	1	55	0.0	-71.46	404.10	3.44	-68.02
CC[N@H+]1CCOCC1CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029412613	1	55	0.0	-71.46	404.10	3.44	-68.02
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1C[NH+](C2CCCCC2)C1	REAL300029412639	0	58	0.0	-70.58	426.79	6.27	-64.31
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C2NC(N)=NC2=C1	REAL300029412715	0	48	0.0	-68.80	377.53	3.83	-64.97
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C2NC(N)=[NH+]C2=C1	REAL300029412715	1	48	0.0	-68.80	377.53	3.83	-64.97
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300029412760	0	51	0.0	-63.92	384.71	4.67	-59.25
CC1CCCC(C)[NH+]1CCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029412772	0	60	0.0	-64.40	426.79	6.08	-58.32
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCC([NH+](C)C)CC1	REAL300029412775	0	57	0.0	-71.98	411.09	5.56	-66.42
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300029412779	0	57	0.0	-69.10	404.70	5.42	-63.68
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1CC=CC[N@@H+]1C	REAL300029412780	0	52	0.0	-56.58	382.21	4.99	-51.59
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1CC=CC[N@H+]1C	REAL300029412780	1	52	0.0	-63.69	382.17	4.97	-58.72
CC1=CC(C=CC(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)=C[NH+]=C1N	REAL300029412842	1	51	0.0	-71.29	399.88	3.95	-67.34
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)COCC[NH+](C)C	REAL300029412857	0	51	0.0	-65.00	391.76	3.92	-61.08
CCCCC[N@H+](C)CCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029412864	0	59	0.0	-69.68	440.63	6.50	-63.18
CCCCC[N@@H+](C)CCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029412864	1	59	0.0	-69.45	440.63	6.52	-62.93
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300029412876	0	55	0.0	-67.30	410.53	4.61	-62.69
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1C=CSC1=[NH2+]	REAL300029412902	0	44	0.0	-63.19	363.00	3.09	-60.10
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029412981	0	54	0.0	-61.11	407.40	4.35	-56.76
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC[NH+]1CCCCCC1	REAL300029413039	0	57	0.0	-70.55	410.06	5.61	-64.94
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCC[N@H+](C)C1	REAL300029413045	0	51	0.0	-67.41	377.21	4.37	-63.04
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCC[N@@H+](C)C1	REAL300029413045	1	51	0.0	-67.41	377.21	4.37	-63.04
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[NH+]1CCCCCC1	REAL300029413053	0	54	0.0	-67.55	387.38	4.97	-62.58
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N+]1=CN(C)C=C1	REAL300029413060	0	46	0.0	-63.18	367.18	6.47	-56.71
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(CN(C)C)O1	REAL300029413078	0	51	0.0	-76.28	396.32	4.72	-71.56
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300029413078	1	51	0.0	-76.28	396.32	4.72	-71.56
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1CCC(O)CC1	REAL300029413100	0	52	0.0	-72.89	388.71	1.47	-71.42
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[NH+]1CCC(O)CC1	REAL300029413100	1	52	0.0	-72.89	388.71	1.47	-71.42
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@H+](C)C1CC1	REAL300029413107	0	48	0.0	-64.37	365.22	4.35	-60.02
CC(C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)N1CCN(C)CC1	REAL300029413109	0	56	0.0	-71.85	410.89	2.82	-69.03
CC(C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)N1CC[NH+](C)CC1	REAL300029413109	1	56	0.0	-71.85	410.89	2.82	-69.03
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC[N@@H+]1CCC(F)C1	REAL300029413114	0	51	0.0	-76.16	390.04	4.77	-71.39
CC(CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)C[NH+](C)C	REAL300029413149	0	53	0.0	-68.46	393.08	5.01	-63.45
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[N@@H+]2CCOCC12	REAL300029413169	0	53	0.0	-68.13	386.06	3.27	-64.86
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[N@H+]2CCOCC12	REAL300029413169	1	53	0.0	-68.13	386.06	3.27	-64.86
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1COCCN1C	REAL300029413198	0	52	0.0	-74.04	386.49	2.80	-71.24
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1COCC[N@@H+]1C	REAL300029413198	1	52	0.0	-67.65	379.10	2.67	-64.98
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1COCC[N@H+]1C	REAL300029413198	1	52	0.0	-67.65	379.10	2.67	-64.98
CC1=CC(N)=NC=C1C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029413263	0	47	0.0	-71.58	367.04	2.26	-69.32
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029413263	1	47	0.0	-71.58	367.04	2.26	-69.32
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300029413320	0	52	0.0	-67.28	391.80	1.36	-65.92
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=NN1CC[NH+](C)C	REAL300029413330	0	54	0.0	-54.69	411.67	4.15	-50.54
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1C[NH+](C)C1	REAL300029413361	0	48	0.0	-70.04	367.33	3.83	-66.21
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[N@@H+]1C1CCCC1	REAL300029413367	0	55	0.0	-65.46	406.21	5.72	-59.74
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[N@H+]1C1CCCC1	REAL300029413367	1	55	0.0	-65.46	406.21	5.72	-59.74
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC[N@H+](C)CCO	REAL300029413418	0	51	0.0	-67.85	386.31	0.99	-66.86
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC[N@@H+](C)CCO	REAL300029413418	1	51	0.0	-67.85	386.31	0.99	-66.86
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1CCCC[N@@H+]1C	REAL300029413439	0	54	0.0	-68.25	395.25	5.14	-63.11
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1CCCC[N@H+]1C	REAL300029413439	1	54	0.0	-68.25	395.25	5.14	-63.11
CC1=C2C=C(C(=O)N3CCC[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]3C)C=CN2C=N1	REAL300029413465	0	49	0.0	-73.30	385.46	6.67	-66.63
CC1=C2C=C(C(=O)N3CCC[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]3C)C=CN2C=[NH+]1	REAL300029413465	1	49	0.0	-73.30	385.46	6.67	-66.63
CC1CCN1CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029413471	0	48	0.0	-65.78	367.21	4.05	-61.73
CC1CC[N@@H+]1CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029413471	1	48	0.0	-66.10	367.33	4.02	-62.08
CC1CC[N@H+]1CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029413471	1	48	0.0	-66.10	367.33	4.02	-62.08
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C=CC[NH+](C)C	REAL300029413486	0	48	0.0	-72.75	370.85	4.18	-68.57
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1CC(C)(C)C1	REAL300029413500	0	51	0.0	-67.97	386.35	4.54	-63.43
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[NH+]1CC(C)(C)C1	REAL300029413500	1	51	0.0	-67.97	386.35	4.54	-63.43
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCCC[NH+]1CCCCC1	REAL300029413514	0	60	0.0	-67.38	443.04	7.00	-60.38
CC1=C(C)NC(CCC(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)=N1	REAL300029413527	0	52	0.0	-61.55	406.28	4.27	-57.28
CC1=C(C)[NH+]=C(CCC(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)N1	REAL300029413527	1	52	0.0	-61.55	406.28	4.27	-57.28
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1(C2CC[NH+](C)CC2)CC1	REAL300029413537	0	58	0.0	-79.70	420.87	6.19	-73.51
CC1=C2C=C(C(=O)N3CCC[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]3C)C=CN2C=N1	REAL300029413546	0	49	0.0	-73.30	385.46	6.67	-66.63
CC1=C2C=C(C(=O)N3CCC[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]3C)C=CN2C=[NH+]1	REAL300029413546	1	49	0.0	-73.30	385.46	6.67	-66.63
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CSCC[NH+](C)C	REAL300029413556	0	51	0.0	-73.77	402.78	4.99	-68.78
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC2=C(CCCC2)N=C1N	REAL300029413578	0	54	0.0	-58.58	409.30	4.30	-54.28
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC2=C(CCCC2)[NH+]=C1N	REAL300029413578	1	54	0.0	-58.58	409.30	4.30	-54.28
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@@H+]1CCCC1CO	REAL300029413586	0	52	0.0	-66.89	390.77	1.50	-65.39
CC[NH+](CC)CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029413589	0	50	0.0	-65.38	371.34	4.30	-61.08
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@H+](C)C1CCSC1	REAL300029413602	0	52	0.0	-72.43	395.28	5.20	-67.23
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1CCC1	REAL300029413604	0	45	0.0	-67.74	346.00	3.40	-64.34
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[NH+]1CCC1	REAL300029413604	1	45	0.0	-67.74	346.00	3.40	-64.34
CC[NH+](CC)CCC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029413649	0	53	0.0	-67.12	389.74	4.61	-62.51
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC2COCC[N@@H+]2C1	REAL300029413743	0	53	0.0	-65.53	390.41	3.15	-62.38
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC2COCC[N@H+]2C1	REAL300029413743	1	53	0.0	-65.53	390.41	3.15	-62.38
CC(C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)N1CCC1	REAL300029413759	0	48	0.0	-63.86	361.58	3.78	-60.08
CC(C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)[NH+]1CCC1	REAL300029413759	1	48	0.0	-63.86	361.58	3.78	-60.08
CCC(CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)C[NH+](C)C	REAL300029413769	0	56	0.0	-58.03	410.83	5.59	-52.44
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)[C@H]1CCCC[N@@H+]1C	REAL300029413841	0	51	0.0	-63.73	365.10	4.08	-59.65
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029413855	0	54	0.0	-67.07	382.20	1.44	-65.63
CC1CN2CC[N@H+]1CC2C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029413855	1	54	0.0	-64.26	385.12	1.54	-62.72
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC(O)C[NH+](C)C	REAL300029413880	0	51	0.0	-71.93	388.54	1.90	-70.03
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC2CCC(C1)[NH+]2C	REAL300029413883	0	55	0.0	-62.12	379.86	4.70	-57.42
C=CCC(C(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)[NH+](C)C	REAL300029413929	0	51	0.0	-64.04	380.76	4.55	-59.49
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC2CCCC[N@@H+]2C1	REAL300029413939	0	55	0.0	-72.46	399.63	5.43	-67.03
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC2CCCC[N@H+]2C1	REAL300029413939	1	55	0.0	-65.80	400.22	5.45	-60.35
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1(O)CC[NH+](C)CC1	REAL300029413955	0	55	0.0	-65.86	406.18	3.13	-62.73
COCC[N@@H+]1CCCC1CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029413970	0	58	0.0	-68.97	425.30	4.28	-64.69
COCC[N@H+]1CCCC1CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029413970	1	58	0.0	-68.13	427.47	4.03	-64.10
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1CC2CCC(C1)[NH+]2C	REAL300029413979	0	58	0.0	-73.32	401.31	5.49	-67.83
C[C@@H]1[C@H](NC(=O)C2=CC=NN2CC[NH+](C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029414017	0	54	0.0	-65.66	412.89	4.29	-61.37
C[C@@H]1[C@H](NC(=O)C2(C3CC[NH+](C)CC3)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029414064	0	58	0.0	-62.85	421.06	6.56	-56.29
CC1=C2C=C(C(=O)N[C@@H]3CCCN(C(=O)C4=CC(=O)[N-]O4)[C@@H]3C)C=CN2C=[NH+]1	REAL300029414076	1	49	0.0	-61.80	385.29	6.87	-54.93
C[C@@H]1[C@H](NC(=O)CSCC[NH+](C)C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029414087	0	51	0.0	-66.70	399.87	4.72	-61.98
C[C@@H]1[C@H](NC(=O)C2CC3COCC[N@@H+]3C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029414099	0	53	0.0	-60.41	391.37	3.15	-57.26
C[C@@H]1[C@H](NC(=O)C2CC3COCC[N@H+]3C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029414099	1	53	0.0	-59.38	391.12	3.00	-56.38
C[N@@H+]1CCCC1C(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029414265	0	49	0.0	-78.23	385.25	4.56	-73.67
C[N@H+]1CCCC1C(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029414265	1	49	0.0	-77.42	384.86	4.65	-72.77
CC(C)[N@@H+]1CCCC1C(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029414429	0	55	0.0	-61.54	413.37	5.44	-56.10
CC(C)[N@H+]1CCCC1C(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029414429	1	55	0.0	-75.46	410.92	6.20	-69.26
CC1=[NH+]C=CN1CC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029414449	1	47	0.0	-62.95	394.53	5.00	-57.95
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+]2CCC1CC2	REAL300029414466	0	53	0.0	-62.35	405.61	5.08	-57.27
C[C@@H]1[C@H](C(=O)NC2(C3=CC=CC=C3)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029414488	0	52	0.0	-80.69	399.11	4.77	-75.92
C[C@@H]1[C@H](C(=O)NC2(C3=CC=CC=C3)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029414488	1	52	0.0	-78.36	408.26	5.04	-73.32
CC[C@@H]1[C@@H](C(=O)NC2(C3=CC=CC=C3)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029414490	0	55	0.0	-78.06	421.90	5.96	-72.10
CC[C@@H]1[C@@H](C(=O)NC2(C3=CC=CC=C3)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029414490	1	55	0.0	-77.92	426.72	6.03	-71.89
CC1CCC(C)[NH+]1CC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029414525	0	55	0.0	-76.18	418.02	6.06	-70.12
O=C(CCC[NH+]1CCCC1)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029414527	0	55	0.0	-78.92	436.16	6.19	-72.73
O=C(CC[NH+]1CCCCC1)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029414529	0	55	0.0	-79.24	430.01	6.55	-72.69
C[N@H+](CC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029414558	0	52	0.0	-63.41	411.16	5.38	-58.03
C[N@@H+](CC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029414558	1	52	0.0	-77.83	412.53	5.64	-72.19
C[N@@H+]1CCCC1CCC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029414605	0	55	0.0	-76.74	426.43	6.12	-70.62
C[N@H+]1CCCC1CCC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029414605	1	55	0.0	-65.43	426.50	5.36	-60.07
C[NH+]1CCC(C(=O)NC2(C3=CC=CC=C3)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029414618	0	52	0.0	-82.69	410.33	5.70	-76.99
CC1=C[NH+]=CN1CC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029414680	1	47	0.0	-62.66	394.87	5.74	-56.92
C[N@@H+]1CCC(CC(=O)NC2(C3=CC=CC=C3)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029414697	0	52	0.0	-79.52	412.14	5.59	-73.93
C[N@H+]1CCC(CC(=O)NC2(C3=CC=CC=C3)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029414697	1	52	0.0	-78.69	412.77	5.65	-73.04
CCC(C(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029414703	0	51	0.0	-75.70	394.68	5.28	-70.42
C[NH+](C)CCCCC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029414736	0	54	0.0	-80.37	431.70	5.81	-74.56
CCC[N@H+](C)CCC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029414746	0	54	0.0	-81.73	427.93	5.61	-76.12
CCC[N@@H+](C)CCC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029414746	1	54	0.0	-81.85	427.94	5.63	-76.22
CCC[N@H+](C)CC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029414748	0	51	0.0	-80.51	405.52	5.07	-75.44
CCC[N@@H+](C)CC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029414748	1	51	0.0	-80.82	404.68	5.44	-75.38
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@H+](C1)CCC2	REAL300029414755	0	53	0.0	-67.30	409.21	4.35	-62.95
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@@H+](C1)CCC2	REAL300029414755	1	53	0.0	-66.36	405.88	4.74	-61.62
C[N@@H+]1CCC[C@@H]1C(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029414773	0	49	0.0	-78.22	380.26	4.39	-73.83
C[N@H+]1CCC[C@@H]1C(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029414773	1	49	0.0	-76.31	392.74	4.73	-71.58
CC[NH+](CC)CC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029414796	0	51	0.0	-78.20	397.49	4.75	-73.45
CC1CC[NH+](CC(=O)NC2(C3=CC=CC=C3)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029414841	0	55	0.0	-79.95	428.58	6.62	-73.33
C[NH+](C)CC1(C(=O)NC2(C3=CC=CC=C3)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029414854	0	52	0.0	-58.01	413.11	5.37	-52.64
C[NH+]1CCC(C(=O)NC2(C3=CC=CC=C3)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029414890	0	52	0.0	-82.69	410.33	5.70	-76.99
CC[N@H+](C)CCC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029414942	0	51	0.0	-80.89	406.43	4.87	-76.02
CC[N@@H+](C)CCC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029414942	1	51	0.0	-80.95	406.44	4.89	-76.06
CC1CCC[N@@H+]1CC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029414961	0	52	0.0	-63.19	405.99	4.54	-58.65
CC1CCC[N@H+]1CC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029414961	1	52	0.0	-64.41	409.67	5.08	-59.33
CC1CC[N@H+](CC(=O)NC2(C3=CC=CC=C3)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029414962	0	52	0.0	-64.27	410.24	5.01	-59.26
CC1CC[N@@H+](CC(=O)NC2(C3=CC=CC=C3)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029414962	1	52	0.0	-80.41	410.83	5.80	-74.61
CC1(C)CC[N@H+](CC(=O)NC2(C3=CC=CC=C3)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029414963	0	55	0.0	-65.23	432.30	5.41	-59.82
CC1(C)CC[N@@H+](CC(=O)NC2(C3=CC=CC=C3)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029414963	1	55	0.0	-64.05	429.96	5.63	-58.42
CC[C@@H](C(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029414969	0	51	0.0	-60.53	398.33	4.18	-56.35
C[NH+](C)CC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415028	0	45	0.0	-80.29	366.34	3.66	-76.63
O=C(C[NH+]1CCCCCC1)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415031	0	55	0.0	-79.93	417.26	5.69	-74.24
CN1C=C[N+](CC(=O)NC2(C3=CC=CC=C3)CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029415033	0	47	0.0	-64.17	396.31	6.90	-57.27
C[N@@H+]1CCCC(C(=O)NC2(C3=CC=CC=C3)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029415036	0	52	0.0	-68.34	409.21	4.94	-63.40
C[N@H+]1CCCC(C(=O)NC2(C3=CC=CC=C3)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029415036	1	52	0.0	-78.80	408.94	5.74	-73.06
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@@H+]1C1CC1	REAL300029415040	0	53	0.0	-61.58	422.13	5.76	-55.82
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@H+]1C1CC1	REAL300029415040	1	53	0.0	-61.07	416.25	5.66	-55.41
CC(C(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029415049	1	49	0.0	-65.25	392.03	4.33	-60.92
C[N@H+](CC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029415066	0	49	0.0	-77.12	395.60	5.06	-72.06
C[N@@H+](CC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029415066	1	49	0.0	-77.40	395.74	5.05	-72.35
C[NH+]1CC(CC(=O)NC2(C3=CC=CC=C3)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029415078	0	49	0.0	-78.33	397.78	4.49	-73.84
CC(C)(C)[N@@H+]1CCC1C(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415087	0	55	0.0	-75.12	410.40	5.10	-70.02
CC(C)(C)[N@H+]1CCC1C(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415087	1	55	0.0	-74.56	425.96	5.89	-68.67
C[C@@H](C(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029415096	0	48	0.0	-76.44	383.04	4.45	-71.99
[NH2+]=C1SC=CN1CC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415136	0	45	0.0	-62.54	392.17	3.58	-58.96
C[N@H+](CCO)CCC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415141	0	52	0.0	-81.04	416.79	1.67	-79.37
C[N@@H+](CCO)CCC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415141	1	52	0.0	-79.55	416.78	1.67	-77.88
C[C@@H](C(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029415142	0	48	0.0	-76.44	383.04	4.45	-71.99
C[N@@H+]1CCCC[C@@H]1C(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415145	0	52	0.0	-77.25	400.48	4.84	-72.41
C[N@H+]1CCCC[C@@H]1C(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415145	1	52	0.0	-66.36	406.55	4.90	-61.46
O=C(C[NH+]1CCC1)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415185	1	46	0.0	-66.86	377.56	3.63	-63.23
C[N@@H+]1CCC(=CC(=O)NC2(C3=CC=CC=C3)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029415194	0	50	0.0	-80.14	402.69	5.74	-74.40
C[N@H+]1CCC(=CC(=O)NC2(C3=CC=CC=C3)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029415194	1	50	0.0	-69.88	402.81	4.93	-64.95
C[NH+](C)CCOCC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415210	0	52	0.0	-76.53	421.84	5.11	-71.42
C=CCC(C)(C(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029415220	0	55	0.0	-71.47	422.43	5.47	-66.00
CC1CN(CC(=O)NC2(C3=CC=CC=C3)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029415247	0	49	0.0	-79.47	396.08	5.31	-74.16
CC1C[NH+](CC(=O)NC2(C3=CC=CC=C3)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029415247	1	49	0.0	-79.47	396.08	5.31	-74.16
CN(CCO)CC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415262	0	49	0.0	-81.78	393.54	1.47	-80.31
C[N@H+](CCO)CC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415262	1	49	0.0	-80.94	394.16	1.11	-79.83
C[N@@H+](CCO)CC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415262	1	49	0.0	-80.94	394.16	1.11	-79.83
CC[N@@H+]1CCCC(C(=O)NC2(C3=CC=CC=C3)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029415277	0	55	0.0	-76.31	427.86	6.32	-69.99
CC[N@H+]1CCCC(C(=O)NC2(C3=CC=CC=C3)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029415277	1	55	0.0	-76.31	427.86	6.32	-69.99
CC(CC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029415279	0	54	0.0	-85.51	424.41	5.37	-80.14
CC[N@H+](C)CC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415281	0	48	0.0	-80.36	383.18	4.70	-75.66
CC[N@H+](CC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029415301	0	52	0.0	-77.57	412.32	5.64	-71.93
CC[NH+](CC)CCC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415308	0	54	0.0	-79.41	425.08	5.29	-74.12
C[NH+](C)CC=CC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415333	0	49	0.0	-81.51	403.56	4.91	-76.60
COCCN(C)CC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415344	0	52	0.0	-80.98	416.41	3.52	-77.46
COCC[N@H+](C)CC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415344	1	52	0.0	-82.33	415.79	3.87	-78.46
COCC[N@@H+](C)CC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415344	1	52	0.0	-82.33	415.79	3.87	-78.46
CC(CCC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029415358	0	54	0.0	-84.09	420.73	5.17	-78.92
CCN1CCC1C(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415364	0	49	0.0	-76.29	390.46	4.74	-71.55
CC[N@@H+]1CCC1C(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415364	1	49	0.0	-76.47	392.14	4.00	-72.47
CC[N@H+]1CCC1C(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415364	1	49	0.0	-76.47	392.14	4.00	-72.47
C=CCC(C(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029415396	0	52	0.0	-74.09	407.47	5.64	-68.45
C[N@@H+]1CC(C)(C)CC1C(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415400	0	55	0.0	-58.26	424.20	4.92	-53.34
CCCC(C(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029415416	0	54	0.0	-75.50	416.20	5.94	-69.56
C[N@@H+]1CCCCC1C(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415434	0	52	0.0	-59.74	409.20	4.75	-54.99
C[N@H+]1CC=C(CC(=O)NC2(C3=CC=CC=C3)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029415451	0	53	0.0	-64.54	424.07	5.66	-58.88
C[N@@H+]1CC=C(CC(=O)NC2(C3=CC=CC=C3)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029415451	1	53	0.0	-64.54	424.07	5.66	-58.88
O=C(C=CC[NH+]1CCCC1)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415476	0	53	0.0	-80.65	428.64	6.07	-74.58
O=C(CC[NH+]1CCCC1)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415496	0	52	0.0	-80.41	414.67	5.39	-75.02
O=C(C[N@@H+]1CC2CCC1C2)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415520	0	53	0.0	-75.60	410.26	6.10	-69.50
O=C(CN1CC2C=CC1C2)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415550	0	51	0.0	-77.36	405.08	6.04	-71.32
O=C(C[N@@H+]1CC2C=CC1C2)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415550	1	51	0.0	-77.57	405.31	6.06	-71.51
O=C(C[N@H+]1CC2C=CC1C2)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415550	1	51	0.0	-77.57	405.31	6.06	-71.51
CC(C[NH+](C)C)C(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415569	0	51	0.0	-79.60	404.54	4.92	-74.68
C[N@@H+]1CCCCC1CC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415600	0	55	0.0	-80.69	424.84	6.19	-74.50
C[N@H+]1CCCCC1CC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415600	1	55	0.0	-80.69	424.84	6.19	-74.50
CC(C(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1)N1CC(C)C1	REAL300029415608	0	52	0.0	-62.30	413.72	4.95	-57.35
CC(C(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300029415608	1	52	0.0	-62.30	413.72	4.95	-57.35
CC1CCN1CC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415610	0	49	0.0	-63.08	390.78	4.23	-58.85
CC1CC[N@@H+]1CC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415610	1	49	0.0	-79.23	396.13	5.25	-73.98
CC1CC[N@H+]1CC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415610	1	49	0.0	-79.23	396.13	5.25	-73.98
C[NH+](C)CC(O)CC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415611	0	52	0.0	-83.36	418.95	2.66	-80.70
C[NH+](C)[C@H]1C[C@H](C(=O)NC2(C3=CC=CC=C3)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029415655	0	52	0.0	-76.79	415.61	5.75	-71.04
CC(CC[NH+](C)C)C(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415659	0	54	0.0	-78.38	426.17	5.55	-72.83
CN1CCN(CC(=O)NC2(C3=CC=CC=C3)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029415671	0	54	0.0	-75.69	425.08	3.77	-71.92
C[NH+]1CCN(CC(=O)NC2(C3=CC=CC=C3)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029415671	1	54	0.0	-75.69	425.08	3.77	-71.92
NC(=[NH2+])SCC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415690	0	43	0.0	-81.65	374.26	0.62	-81.03
C[N@@H+]1CC=CCC1CC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415707	0	53	0.0	-74.71	412.50	5.64	-69.07
C[N@H+]1CC=CCC1CC(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415707	1	53	0.0	-74.71	412.50	5.64	-69.07
C[N@H+]1CCC[C@H]1C(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415774	1	49	0.0	-60.42	383.53	3.85	-56.57
O=C(C[NH+]1CCCCC1)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415787	0	52	0.0	-80.21	408.01	5.52	-74.69
CC1C(C(=O)NC2(C3=CC=CC=C3)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029415790	0	52	0.0	-79.17	403.37	4.79	-74.38
CC1C(C(=O)NC2(C3=CC=CC=C3)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029415790	1	52	0.0	-80.63	410.30	5.60	-75.03
C[N@@H+]1CCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029415978	0	49	0.0	-68.78	392.15	5.03	-63.75
C[N@H+]1CCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029415978	1	49	0.0	-58.43	385.90	3.92	-54.51
C[N@@H+]1CCOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)C1	REAL300029416004	1	50	0.0	-83.49	402.92	4.54	-78.95
C[N@H+]1CCOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)C1	REAL300029416004	1	50	0.0	-66.23	399.14	3.73	-62.50
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C23CCC[NH+]2CCC3)C1)C1=CC(=O)[N-]O1	REAL300029416160	0	53	0.0	-58.20	409.49	4.86	-53.34
C[N@@H+]1CCC(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)C1	REAL300029416181	0	52	0.0	-74.76	414.01	5.08	-69.68
C[N@H+]1CCC(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)C1	REAL300029416181	1	52	0.0	-68.84	413.29	5.06	-63.78
CCC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1)[NH+](C)C	REAL300029416187	0	51	0.0	-70.74	399.46	5.14	-65.60
C[NH+](C)CCCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029416216	0	54	0.0	-70.76	432.84	6.28	-64.48
CC(C)C(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1)[NH+](C)C	REAL300029416228	0	54	0.0	-65.78	412.21	5.62	-60.16
CCC[N@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029416229	0	54	0.0	-75.31	428.60	5.48	-69.83
CCC[N@@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029416229	1	54	0.0	-70.39	429.07	6.11	-64.28
CCC[N@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029416232	0	51	0.0	-68.27	406.71	5.56	-62.71
CCC[N@@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029416232	1	51	0.0	-69.66	407.48	5.17	-64.49
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C23CC[N@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300029416241	0	53	0.0	-74.20	405.03	4.25	-69.95
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C23CC[N@@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300029416241	1	53	0.0	-85.60	401.88	4.49	-81.11
CC1CC[NH+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)CC1	REAL300029416265	0	55	0.0	-68.06	430.06	6.63	-61.43
C[NH+](C)CC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)CC1	REAL300029416302	0	52	0.0	-69.53	408.01	5.54	-63.99
CC[N@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029416319	0	51	0.0	-69.85	407.58	5.37	-64.48
CC[N@@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029416319	1	51	0.0	-74.45	407.09	4.73	-69.72
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2C[NH+]3CCC2CC3)C1)C1=CC(=O)[N-]O1	REAL300029416330	0	53	0.0	-84.92	407.03	5.25	-79.67
C[NH+]1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)CC1	REAL300029416367	0	52	0.0	-74.26	399.84	5.21	-69.05
CC(C)[C@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1)[NH+](C)C	REAL300029416382	0	54	0.0	-70.44	412.68	5.90	-64.54
C[NH+](C)C1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)CCC1	REAL300029416442	0	52	0.0	-73.43	397.57	5.38	-68.05
CC1CCC[N@@H+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029416476	0	52	0.0	-68.56	406.70	5.61	-62.95
CC1CCC[N@H+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029416476	1	52	0.0	-68.08	405.64	4.88	-63.20
CC(C)[N@@H+]1CCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029416502	0	55	0.0	-63.95	417.56	5.79	-58.16
CC(C)[N@H+]1CCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029416502	1	55	0.0	-60.09	422.66	5.39	-54.70
CC(C)[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1)[NH+](C)C	REAL300029416509	0	54	0.0	-66.70	412.57	4.48	-62.22
CC1CC[N@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)C1	REAL300029416519	0	52	0.0	-71.36	413.13	5.22	-66.14
CC1CC[N@@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)C1	REAL300029416519	1	52	0.0	-68.64	413.61	5.51	-63.13
CC1(C)CC[N@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)C1	REAL300029416520	0	55	0.0	-71.12	432.23	5.74	-65.38
CC1(C)CC[N@@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)C1	REAL300029416520	1	55	0.0	-72.01	431.25	5.64	-66.37
CC[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1)[NH+](C)C	REAL300029416527	0	51	0.0	-68.32	395.24	4.30	-64.02
CC1=[NH+]C=CN1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029416605	1	47	0.0	-66.78	396.65	5.34	-61.44
CC1=C[NH+]=CN1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029416663	1	47	0.0	-69.03	396.96	6.07	-62.96
C[C@@H]1[C@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)CC[N@@H+]1C	REAL300029416667	0	52	0.0	-70.79	405.11	5.28	-65.51
C[C@@H]1[C@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)CC[N@H+]1C	REAL300029416667	1	52	0.0	-61.26	411.09	4.54	-56.72
CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)CC[N@@H+]1C	REAL300029416669	0	55	0.0	-62.30	423.50	4.87	-57.43
CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)CC[N@H+]1C	REAL300029416669	1	55	0.0	-77.01	428.31	5.44	-71.57
CC1CCC(C)[NH+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029416674	0	55	0.0	-68.58	424.94	5.44	-63.14
O=C(CCC[NH+]1CCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029416676	0	55	0.0	-74.18	435.23	5.95	-68.23
O=C(CC[NH+]1CCCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029416679	0	55	0.0	-69.08	431.48	6.58	-62.50
CC[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029416682	0	55	0.0	-63.80	425.76	5.46	-58.34
CC[N@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029416682	1	55	0.0	-70.78	413.20	5.23	-65.55
C[N@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1)C1CCC1	REAL300029416759	0	52	0.0	-67.70	414.40	5.75	-61.95
C[N@@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1)C1CCC1	REAL300029416759	1	52	0.0	-66.38	413.71	6.13	-60.25
C[NH+]1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)CC1	REAL300029416779	0	52	0.0	-74.26	399.84	5.21	-69.05
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029416801	0	49	0.0	-68.31	387.60	4.17	-64.14
C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029416801	1	49	0.0	-68.04	392.68	4.48	-63.56
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029416818	1	51	0.0	-68.69	410.19	5.74	-62.95
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029416818	1	51	0.0	-66.27	411.83	5.58	-60.69
C[N@@H+]1CCCC1CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029416823	0	55	0.0	-73.23	428.66	6.26	-66.97
C[N@H+]1CCCC1CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029416823	1	55	0.0	-64.14	431.54	5.34	-58.80
C[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029416882	0	52	0.0	-65.66	405.95	5.12	-60.54
C[N@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029416882	1	52	0.0	-70.91	396.81	5.38	-65.53
CC1C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)CC[N@@H+]1C	REAL300029416927	0	52	0.0	-72.72	410.85	4.83	-67.89
CC1C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)CC[N@H+]1C	REAL300029416927	1	52	0.0	-69.80	410.13	5.13	-64.67
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029416974	0	55	0.0	-60.80	430.84	4.94	-55.86
CC(C)(C)[N@H+]1CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029416974	1	55	0.0	-58.98	428.29	5.15	-53.83
C[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1)[NH+](C)C	REAL300029416986	0	48	0.0	-67.63	382.14	3.80	-63.83
C=CCC(C)(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1)[NH+](C)C	REAL300029416998	0	55	0.0	-65.13	415.10	5.62	-59.51
O=C(CC[NH+]1CCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029417010	0	52	0.0	-74.11	415.33	5.24	-68.87
C[N@H+](CCO)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029417016	1	49	0.0	-70.01	396.34	1.20	-68.81
C[N@@H+](CCO)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029417016	1	49	0.0	-69.45	397.53	0.92	-68.53
C[N@H+]1CC=C(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)CC1	REAL300029417061	0	53	0.0	-66.27	426.10	5.78	-60.49
C[N@@H+]1CC=C(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)CC1	REAL300029417061	1	53	0.0	-64.18	428.58	5.60	-58.58
CC1C[NH+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)C1	REAL300029417101	1	49	0.0	-73.31	397.35	5.27	-68.04
CC[N@@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)C1	REAL300029417106	0	55	0.0	-68.75	421.79	5.79	-62.96
CC[N@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)C1	REAL300029417106	1	55	0.0	-71.80	427.68	6.30	-65.50
NC1=[NH+]C=CC=C1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029417110	0	48	0.0	-65.47	401.72	3.95	-61.52
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2CCC[N@@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300029417117	0	53	0.0	-56.42	418.52	5.36	-51.06
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2CCC[N@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300029417117	1	53	0.0	-65.33	412.69	5.03	-60.30
O=C(C=CC[NH+]1CCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029417136	0	53	0.0	-77.84	427.44	5.78	-72.06
CC[N@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029417171	0	48	0.0	-69.33	385.98	4.43	-64.90
O=C(CN1CC2C=CC1C2)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029417198	0	51	0.0	-70.14	407.32	6.22	-63.92
O=C(C[N@@H+]1CC2C=CC1C2)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029417198	1	51	0.0	-59.35	405.42	5.26	-54.09
O=C(C[N@H+]1CC2C=CC1C2)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029417198	1	51	0.0	-59.35	405.42	5.26	-54.09
COCCN(C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029417271	0	52	0.0	-69.31	419.78	3.32	-65.99
COCC[N@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029417271	1	52	0.0	-70.11	418.59	3.60	-66.51
COCC[N@@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029417271	1	52	0.0	-70.11	418.59	3.60	-66.51
CC(CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1)[NH+](C)C	REAL300029417274	0	54	0.0	-79.91	419.82	5.11	-74.80
CC[N@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1)C1CC1	REAL300029417286	0	52	0.0	-66.57	409.06	6.01	-60.56
C[N@@H+]1CC2CC1(C(=O)N1CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C1)C2	REAL300029417310	0	50	0.0	-72.79	389.36	5.16	-67.63
O=C(C[N@@H+]1CC2CCC1C2)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029417317	0	53	0.0	-67.54	411.81	5.51	-62.03
O=C(C[N@H+]1CC2CCC1C2)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029417317	1	53	0.0	-67.54	411.81	5.51	-62.03
CC(C[NH+](C)C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029417330	0	51	0.0	-70.04	403.26	5.18	-64.86
CCN1CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029417357	0	49	0.0	-62.88	398.07	4.39	-58.49
CC[N@@H+]1CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029417357	1	49	0.0	-67.33	391.78	4.46	-62.87
CC[N@H+]1CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029417357	1	49	0.0	-67.33	391.78	4.46	-62.87
CCCC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1)[NH+](C)C	REAL300029417391	0	54	0.0	-70.95	420.85	5.98	-64.97
C[NH+](C)C(C)(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029417395	0	51	0.0	-73.76	390.37	5.19	-68.57
CC(CC[NH+](C)C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029417408	0	54	0.0	-70.54	424.90	5.80	-64.74
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029417455	0	55	0.0	-70.36	424.08	5.67	-64.69
C[N@H+]1CC(C)(C)CC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029417455	1	55	0.0	-70.36	424.08	5.67	-64.69
CN1CCN(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)CC1	REAL300029417462	0	54	0.0	-70.52	427.27	3.25	-67.27
C[NH+]1CCN(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)CC1	REAL300029417462	1	54	0.0	-70.52	427.27	3.25	-67.27
C[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029417539	0	52	0.0	-70.91	396.81	5.38	-65.53
C[N@@H+]1CCC(=CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)C1	REAL300029417594	0	50	0.0	-69.83	404.94	4.94	-64.89
C[N@H+]1CCC(=CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)C1	REAL300029417594	1	50	0.0	-69.83	404.94	4.94	-64.89
O=C(CNC1=CC=[NH+]C=C1)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029417596	0	48	0.0	-67.15	403.19	3.42	-63.73
C[NH+](C)C1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)CCCC1	REAL300029417645	0	55	0.0	-56.05	406.24	5.48	-50.57
CCC1CN(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)C1	REAL300029417652	0	52	0.0	-68.90	419.94	5.96	-62.94
CCC1C[NH+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)C1	REAL300029417652	1	52	0.0	-68.90	419.94	5.96	-62.94
C[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029417661	0	49	0.0	-75.15	379.81	4.54	-70.61
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)C1	REAL300029417735	0	52	0.0	-69.81	415.89	5.13	-64.68
C[NH+](C)CCC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)CC1	REAL300029417742	0	55	0.0	-76.11	438.97	6.59	-69.52
C[N@@H+]1CC=CCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029417743	0	53	0.0	-64.04	420.06	5.35	-58.69
C[N@H+]1CC=CCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029417743	1	53	0.0	-64.04	420.06	5.35	-58.69
C[NH+](C)CCOCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029417770	0	52	0.0	-68.39	423.35	5.25	-63.14
[NH2+]=C1SC=CN1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029417793	0	45	0.0	-65.45	395.31	3.94	-61.51
O=C(C[NH+]1CCCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029417844	0	52	0.0	-67.36	409.21	6.02	-61.34
C[N@@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)C1	REAL300029417845	0	52	0.0	-70.66	410.57	5.17	-65.49
C[N@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)C1	REAL300029417845	1	52	0.0	-64.74	404.23	5.36	-59.38
O=C(C[NH+]1CCCCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029417846	0	55	0.0	-68.83	419.21	5.82	-63.01
CN1C=C[N+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)=C1	REAL300029417848	0	47	0.0	-66.49	398.71	7.66	-58.83
C[N@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1)C1CC1	REAL300029417867	0	49	0.0	-68.46	396.28	4.92	-63.54
C[N@@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1)C1CC1	REAL300029417867	1	49	0.0	-69.81	396.42	4.93	-64.88
CC(CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1)C[NH+](C)C	REAL300029417881	0	54	0.0	-76.40	424.19	5.52	-70.88
CC1=CC(N)=[NH+]C=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029417931	1	48	0.0	-66.94	398.27	2.55	-64.39
C[NH+]1CC(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)C1	REAL300029417972	0	49	0.0	-75.71	398.29	4.34	-71.37
C[NH+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029417981	0	45	0.0	-69.03	367.48	4.15	-64.88
C[N@H+](CCO)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029417994	0	52	0.0	-69.43	417.93	2.14	-67.29
C[N@@H+](CCO)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029417994	1	52	0.0	-74.32	417.14	1.46	-72.86
C[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1)[NH+](C)C	REAL300029417995	0	48	0.0	-67.63	382.14	3.80	-63.83
C[N@@H+]1CCCCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029418008	0	55	0.0	-54.14	421.19	5.35	-48.79
C[N@H+]1CCCCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029418008	1	55	0.0	-64.49	426.85	5.66	-58.83
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1)[NH+]1CC(C)C1	REAL300029418018	0	52	0.0	-68.81	413.33	4.92	-63.89
CC1CC[N@@H+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029418020	1	49	0.0	-69.39	393.40	4.41	-64.98
CC1CC[N@H+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029418020	1	49	0.0	-71.36	398.70	5.22	-66.14
C[NH+](C)CC=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029418026	0	49	0.0	-73.16	404.46	5.39	-67.77
CC1(C)C[NH+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)C1	REAL300029418031	1	52	0.0	-72.14	417.58	5.13	-67.01
CC[NH+](CC)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029418065	0	51	0.0	-66.04	403.57	5.48	-60.56
O=C(C[NH+]1CCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029418074	1	46	0.0	-69.97	378.35	4.19	-65.78
CC[NH+](CC)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029418101	0	54	0.0	-68.73	424.99	6.09	-62.64
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1)[NH+]1CCC1	REAL300029418151	1	49	0.0	-67.22	398.23	5.10	-62.12
C[NH+](C)CC(C)(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029418160	0	54	0.0	-73.12	410.24	5.29	-67.83
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029418187	0	52	0.0	-67.67	399.52	4.93	-62.74
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029418187	1	52	0.0	-61.86	410.93	4.87	-56.99
C[NH+](C)CC(O)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029418204	0	52	0.0	-73.53	419.94	3.18	-70.35
C=CCC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1)[NH+](C)C	REAL300029418223	0	52	0.0	-67.05	409.57	4.92	-62.13
C[NH+]1CCC(C)(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)CC1	REAL300029418233	0	55	0.0	-72.06	416.92	5.79	-66.27
CC1C2CCC(CC1NC(=O)C1CCC[N@@H+]1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029418439	0	52	0.0	-73.91	377.33	5.70	-68.21
CC1C2CCC(CC1NC(=O)C1CCC[N@H+]1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029418439	1	52	0.0	-67.71	387.09	3.97	-63.74
CC1C2CCC(CC1NC(=O)C1C[N@H+](C)CCO1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029418463	1	53	0.0	-88.29	385.27	5.12	-83.17
CC1C2CCC(CC1NC(=O)C1C[N@@H+](C)CCO1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029418463	1	53	0.0	-67.08	391.38	3.30	-63.78
CC(C)[N@@H+]1CCCC1C(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029418619	0	58	0.0	-70.88	408.48	5.66	-65.22
CC(C)[N@H+]1CCCC1C(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029418619	1	58	0.0	-72.76	409.96	6.53	-66.23
CC1=[NH+]C=CN1CC(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029418652	1	50	0.0	-73.10	380.70	6.24	-66.86
CC1C2CCC(CC1NC(=O)C1C[NH+]3CCC1CC3)N2C(=O)C1=CC(=O)[N-]O1	REAL300029418680	0	56	0.0	-79.17	396.83	5.20	-73.97
C[C@@H]1[C@H](C(=O)NC2CC3CCC(C2C)N3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029418714	0	55	0.0	-78.25	384.11	5.52	-72.73
C[C@@H]1[C@H](C(=O)NC2CC3CCC(C2C)N3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029418714	1	55	0.0	-73.96	404.04	4.27	-69.69
CC[C@@H]1[C@@H](C(=O)NC2CC3CCC(C2C)N3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029418716	0	58	0.0	-78.52	407.86	6.28	-72.24
CC[C@@H]1[C@@H](C(=O)NC2CC3CCC(C2C)N3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029418716	1	58	0.0	-73.18	421.43	5.67	-67.51
CC[N@@H+]1CCOC(C(=O)NC2CC3CCC(C2C)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029418723	1	56	0.0	-78.36	403.63	4.36	-74.00
CC[N@H+]1CCOC(C(=O)NC2CC3CCC(C2C)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029418723	1	56	0.0	-80.73	395.80	5.49	-75.24
CC[NH+](CC)CC(F)C(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029418751	0	57	0.0	-76.29	414.78	6.63	-69.66
CC1CCC(C)[NH+]1CC(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029418787	0	58	0.0	-66.96	418.19	4.90	-62.06
CC1C2CCC(CC1NC(=O)CCC[NH+]1CCCC1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029418790	0	58	0.0	-76.69	421.11	7.17	-69.52
CC1C2CCC(CC1NC(=O)CC[NH+]1CCCCC1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029418793	0	58	0.0	-71.30	425.10	5.43	-65.87
CC[N@@H+]1CCCCC1C(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029418796	0	58	0.0	-72.69	395.56	6.48	-66.21
CC[N@H+]1CCCCC1C(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029418796	1	58	0.0	-73.39	399.49	6.62	-66.77
CC1C2CCC(CC1NC(=O)C1([NH+](C)C)CCC1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029418807	0	55	0.0	-70.32	388.05	4.96	-65.36
CC(C)[C@@H](C(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029418814	0	57	0.0	-75.67	395.13	6.38	-69.29
CC1C2CCC(CC1NC(=O)C[N@H+](C)C1CCC1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029418839	0	55	0.0	-76.38	397.51	6.62	-69.76
CC1C2CCC(CC1NC(=O)C[N@@H+](C)C1CCC1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029418839	1	55	0.0	-75.79	397.36	6.61	-69.18
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029418915	1	54	0.0	-67.96	402.77	5.20	-62.76
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029418915	1	54	0.0	-74.48	403.67	6.93	-67.55
CC1C2CCC(CC1NC(=O)CCC1CCC[N@@H+]1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029418920	0	58	0.0	-75.10	413.30	6.65	-68.45
CC1C2CCC(CC1NC(=O)CCC1CCC[N@H+]1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029418920	1	58	0.0	-80.39	417.49	7.21	-73.18
CC1C2CCC(CC1NC(=O)C1CC[NH+](C)CC1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029418940	0	55	0.0	-79.83	393.89	6.21	-73.62
CC1C2CCC(CC1NC(=O)C1CCCC[N@@H+]1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029418979	0	55	0.0	-75.31	380.38	6.06	-69.25
CC1C2CCC(CC1NC(=O)C1CCCC[N@H+]1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029418979	1	55	0.0	-74.31	380.35	6.07	-68.24
CC1C2CCC(CC1NC(=O)C1=CN3C=[NH+]C=C3C=C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419049	0	50	0.0	-71.60	391.29	6.54	-65.06
CC1C2CCC(CC1NC(=O)CC[NH+]1CCOCC1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419056	1	56	0.0	-81.87	406.54	4.63	-77.24
CC1=C[NH+]=CN1CC(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419069	1	50	0.0	-76.55	381.03	6.97	-69.58
CC1C2CCC(CC1NC(=O)C13CCC[NH+]1CCC3)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419090	0	56	0.0	-75.61	385.11	6.11	-69.50
CC1C2CCC(CC1NC(=O)CC1CC[N@H+](C)C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419101	0	55	0.0	-78.53	396.10	6.34	-72.19
CC1C2CCC(CC1NC(=O)CC1CC[N@@H+](C)C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419101	1	55	0.0	-77.85	396.65	6.34	-71.51
CC1C2CCC(CC1NC(=O)C1=C[NH+]=CC=C1N(C)C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419107	0	54	0.0	-81.58	401.07	5.37	-76.21
CCC(C(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029419109	0	54	0.0	-67.06	391.84	3.97	-63.09
CC1C2CCC(CC1NC(=O)C1=CC3=C[NH+]=CN3C=C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419136	1	50	0.0	-74.97	391.56	6.53	-68.44
CC1C2CCC(CC1NC(=O)CCCC[NH+](C)C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419168	0	57	0.0	-72.90	426.49	5.16	-67.74
CC(C)C(C(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029419182	0	57	0.0	-72.31	389.36	5.97	-66.34
CCC[N@H+](C)CCC(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419183	0	57	0.0	-79.53	412.92	6.60	-72.93
CCC[N@@H+](C)CCC(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419183	1	57	0.0	-79.62	412.92	6.60	-73.02
CCC[N@H+](C)CC(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419187	0	54	0.0	-72.15	394.94	4.84	-67.31
CCC[N@@H+](C)CC(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419187	1	54	0.0	-78.47	390.50	6.04	-72.43
CC1C2CCC(CC1NC(=O)C13CC[N@H+](C1)CCC3)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419202	0	56	0.0	-80.54	392.29	5.84	-74.70
CC1C2CCC(CC1NC(=O)C13CC[N@@H+](C1)CCC3)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419202	1	56	0.0	-84.08	387.29	5.76	-78.32
CC1C2CCC(CC1NC(=O)[C@H]1CCC[N@@H+]1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419228	0	52	0.0	-74.79	377.90	5.59	-69.20
CC1C2CCC(CC1NC(=O)[C@H]1CCC[N@H+]1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419228	1	52	0.0	-75.75	371.51	5.17	-70.58
CC[NH+](CC)CC(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419263	0	54	0.0	-76.42	387.01	5.99	-70.43
CC1CC[NH+](CC(=O)NC2CC3CCC(C2C)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029419324	0	58	0.0	-71.16	423.68	5.50	-65.66
CC1C2CCC(CC1NC(=O)C1(C[NH+](C)C)CC1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419346	0	55	0.0	-74.11	402.46	6.49	-67.62
CC1C2CCC(CC1NC(=O)C1CC[NH+](C)CC1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419399	0	55	0.0	-79.83	393.89	6.21	-73.62
CC(C)[C@H](C(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029419415	0	57	0.0	-70.76	404.70	4.45	-66.31
CCC(C(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300029419443	0	60	0.0	-70.52	412.53	6.61	-63.91
CC[N@H+](C)CCC(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419484	0	54	0.0	-78.72	391.39	5.86	-72.86
CC[N@@H+](C)CCC(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419484	1	54	0.0	-78.79	391.42	5.84	-72.95
CC1CCC[N@@H+]1CC(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419514	0	55	0.0	-75.45	395.10	6.54	-68.91
CC1CCC[N@H+]1CC(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419514	1	55	0.0	-75.47	394.83	6.44	-69.03
CC1CC[N@H+](CC(=O)NC2CC3CCC(C2C)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029419516	0	55	0.0	-77.20	396.00	6.40	-70.80
CC1CC[N@@H+](CC(=O)NC2CC3CCC(C2C)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029419516	1	55	0.0	-71.27	401.02	5.11	-66.16
CC1C2CCC(CC1NC(=O)C[N@@H+]1CCC(C)(C)C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419520	0	58	0.0	-77.82	416.95	6.90	-70.92
CC1C2CCC(CC1NC(=O)C[N@H+]1CCC(C)(C)C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419520	1	58	0.0	-71.30	421.01	5.66	-65.64
CC1C2CCC(CC1NC(=O)C[N@H+](C)CC(C)(C)C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419521	0	60	0.0	-77.98	421.54	7.20	-70.78
CC1C2CCC(CC1NC(=O)C[N@@H+](C)CC(C)(C)C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419521	1	60	0.0	-78.10	419.87	7.06	-71.04
CC[C@@H](C(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029419529	0	54	0.0	-67.21	391.33	4.03	-63.18
CC1C2CCC(CC1NC(=O)C[NH+](C)C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419633	0	48	0.0	-71.50	361.12	3.03	-68.47
CC1C2CCC(CC1NC(=O)C[NH+]1CCCCCC1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419637	0	58	0.0	-71.03	412.06	5.06	-65.97
CC1C2CCC(CC1NC(=O)C[N+]1=CN(C)C=C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419640	0	50	0.0	-68.47	386.94	6.94	-61.53
CC1C2CCC(CC1NC(=O)C1CCC[N@H+](C)C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419645	0	55	0.0	-65.81	394.01	5.26	-60.55
CC1C2CCC(CC1NC(=O)C1CCC[N@@H+](C)C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419645	1	55	0.0	-70.84	405.75	4.65	-66.19
CC1C2CCC(CC1NC(=O)C1CCC[N@@H+]1C1CC1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419650	0	56	0.0	-74.60	402.26	6.76	-67.84
CC1C2CCC(CC1NC(=O)C1CCC[N@H+]1C1CC1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419650	1	56	0.0	-71.74	401.01	7.09	-64.65
CC(C(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300029419666	1	52	0.0	-70.04	383.99	4.51	-65.53
CCC(CC(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029419670	0	60	0.0	-66.17	436.35	5.66	-60.51
CC1C2CCC(CC1NC(=O)C(C)(C)C[NH+](C)C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419675	0	57	0.0	-71.02	408.32	4.72	-66.30
CC1C2CCC(CC1NC(=O)C[NH+]1CCC(O)CC1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419690	1	56	0.0	-75.09	413.93	1.54	-73.55
CC1C2CCC(CC1NC(=O)C[N@H+](C)C1CC1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419691	0	52	0.0	-75.67	380.66	6.05	-69.62
CC1C2CCC(CC1NC(=O)C[N@@H+](C)C1CC1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419691	1	52	0.0	-74.84	380.53	6.03	-68.81
CC1C2CCC(CC1NC(=O)CC1C[NH+](C)C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419707	0	52	0.0	-78.27	382.39	5.36	-72.91
CC1C2CCC(CC1NC(=O)C1CC[N@@H+]1C(C)(C)C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419718	0	58	0.0	-78.52	386.32	5.23	-73.29
CC1C2CCC(CC1NC(=O)C1CC[N@H+]1C(C)(C)C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419718	1	58	0.0	-73.69	392.65	5.37	-68.32
C[C@@H](C(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029419729	0	51	0.0	-69.05	373.80	3.82	-65.23
CC1C2CCC(CC1NC(=O)CN1C=CSC1=[NH2+])N2C(=O)C1=CC(=O)[N-]O1	REAL300029419788	0	48	0.0	-72.78	378.34	4.81	-67.97
CC1C2CCC(CC1NC(=O)CC[N@H+](C)CCO)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419795	0	55	0.0	-78.56	401.77	2.64	-75.92
CC1C2CCC(CC1NC(=O)CC[N@@H+](C)CCO)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419795	1	55	0.0	-77.71	401.66	2.64	-75.07
C[C@@H](C(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029419796	0	51	0.0	-69.05	373.80	3.82	-65.23
CC1C2CCC(CC1NC(=O)[C@H]1CCCC[N@@H+]1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419800	0	55	0.0	-73.43	391.99	6.36	-67.07
CC1C2CCC(CC1NC(=O)[C@H]1CCCC[N@H+]1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419800	1	55	0.0	-74.25	378.61	5.83	-68.42
CC1C2CCC(CC1NC(=O)C[NH+]1CCC1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419850	1	49	0.0	-71.82	365.99	3.90	-67.92
CC1C2CCC(CC1NC(=O)C=C1CC[N@H+](C)C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419869	0	53	0.0	-79.09	387.75	6.34	-72.75
CC1C2CCC(CC1NC(=O)C=C1CC[N@@H+](C)C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419869	1	53	0.0	-79.03	387.65	6.33	-72.70
CC1C2CCC(CC1NC(=O)COCC[NH+](C)C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419892	0	55	0.0	-69.56	416.99	4.09	-65.47
C=CCC(C)(C(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029419906	0	58	0.0	-70.79	415.84	5.28	-65.51
CC1C2CCC(CC1NC(=O)C(O)CC[S+](C)C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419910	0	54	0.0	-79.29	413.95	4.20	-75.09
CC1C2CCC(CC1NC(=O)C1(C)CC(O)C[N@@H+]1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419929	0	56	0.0	-77.61	392.79	2.55	-75.06
CC1CN(CC(=O)NC2CC3CCC(C2C)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029419948	0	52	0.0	-70.66	392.36	4.11	-66.55
CC1C[NH+](CC(=O)NC2CC3CCC(C2C)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029419948	1	52	0.0	-70.66	392.36	4.11	-66.55
CC1C2CCC(CC1NC(=O)CN(C)CCO)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419966	0	52	0.0	-78.91	379.35	2.06	-76.85
CC1C2CCC(CC1NC(=O)C[N@H+](C)CCO)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419966	1	52	0.0	-78.37	379.38	2.08	-76.29
CC1C2CCC(CC1NC(=O)C[N@@H+](C)CCO)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419966	1	52	0.0	-78.37	379.38	2.08	-76.29
CC[N@@H+]1CCCC(C(=O)NC2CC3CCC(C2C)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029419986	0	58	0.0	-70.34	417.87	5.70	-64.64
CC[N@H+]1CCCC(C(=O)NC2CC3CCC(C2C)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029419986	1	58	0.0	-70.34	417.87	5.70	-64.64
CC(CC(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029419988	0	57	0.0	-78.05	408.47	6.64	-71.41
CC[N@H+](C)CC(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419993	0	51	0.0	-78.01	369.00	5.29	-72.72
CC[N@H+](CC(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029420026	0	55	0.0	-75.12	397.14	6.67	-68.45
CC[NH+](CC)CCC(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420036	0	57	0.0	-71.09	414.72	4.67	-66.42
CC1C2CCC(CC1NC(=O)C[N@@H+]1CCC(C)(O)C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420072	0	56	0.0	-79.04	406.03	3.15	-75.89
CC1C2CCC(CC1NC(=O)C=CC[NH+](C)C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420076	0	52	0.0	-79.49	388.54	5.91	-73.58
CC(OCC[NH+](C)C)C(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420085	0	58	0.0	-73.76	424.97	6.28	-67.48
CC1C2CCC(CC1NC(=O)CCOCC[NH+](C)C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420091	0	58	0.0	-71.62	437.94	3.82	-67.80
COCCN(C)CC(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420092	0	55	0.0	-77.68	401.61	4.49	-73.19
COCC[N@H+](C)CC(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420092	1	55	0.0	-79.32	401.60	4.46	-74.86
COCC[N@@H+](C)CC(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420092	1	55	0.0	-79.32	401.60	4.46	-74.86
CC1C2CCC(CC1NC(=O)C1([NH+](C)C)CCCC1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420112	0	58	0.0	-78.31	394.80	6.67	-71.64
CC(CCC(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029420114	0	57	0.0	-71.54	414.46	4.77	-66.77
CCN1CCC1C(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420120	0	52	0.0	-71.78	379.82	4.29	-67.49
CC[N@@H+]1CCC1C(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420120	1	52	0.0	-70.81	380.24	4.08	-66.73
CC[N@H+]1CCC1C(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420120	1	52	0.0	-70.81	380.24	4.08	-66.73
CC1C2CCC(CC1NC(=O)C[N@@H+]1CCCC1CO)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420133	0	56	0.0	-77.20	404.17	3.22	-73.98
CC1C2CCC(CC1NC(=O)C1(C)CC[NH+](C)CC1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420155	0	58	0.0	-73.15	402.69	6.64	-66.51
C=CCC(C(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029420174	0	55	0.0	-72.87	394.17	6.13	-66.74
CC1C2CCC(CC1NC(=O)C1CC(C)(C)C[N@@H+]1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420181	0	58	0.0	-73.00	417.28	6.78	-66.22
CC1C2CCC(CC1NC(=O)CCCCC[NH+](C)C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420183	0	60	0.0	-72.37	447.98	5.94	-66.43
CCCC(C(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029420204	0	57	0.0	-74.31	402.45	6.41	-67.90
CC1C2CCC(CC1NC(=O)C(C)(C)[NH+](C)C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420207	0	54	0.0	-72.59	387.10	4.13	-68.46
CC1C2CCC(CC1NC(=O)C1CCCC[N@@H+]1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420233	0	55	0.0	-74.31	380.35	6.07	-68.24
CC1C2CCC(CC1NC(=O)CC1=CC[N@H+](C)CC1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420257	0	56	0.0	-72.73	410.70	6.98	-65.75
CC1C2CCC(CC1NC(=O)CC1=CC[N@@H+](C)CC1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420257	1	56	0.0	-72.73	410.70	6.98	-65.75
CC1C2CCC(CC1NC(=O)C=CC[NH+]1CCCC1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420297	0	56	0.0	-74.90	418.01	5.86	-69.04
CC1C2CCC(CC1NC(=O)CC[NH+]1CCCC1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420330	0	55	0.0	-71.34	409.43	4.74	-66.60
CC1C2CCC(CC1NC(=O)C13CC(C1)C[N@@H+]3C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420359	0	53	0.0	-72.61	393.15	4.23	-68.38
CC1C2CCC(CC1NC(=O)C[N@@H+]1CC3CCC1C3)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420366	0	56	0.0	-68.90	407.60	5.13	-63.77
CC1C2CCC(CC1NC(=O)CN1CC3C=CC1C3)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420406	0	54	0.0	-66.93	400.17	4.90	-62.03
CC1C2CCC(CC1NC(=O)C[N@@H+]1CC3C=CC1C3)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420406	1	54	0.0	-68.86	400.51	5.01	-63.85
CC1C2CCC(CC1NC(=O)C[N@H+]1CC3C=CC1C3)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420406	1	54	0.0	-68.86	400.51	5.01	-63.85
CC(C[NH+](C)C)C(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420438	0	54	0.0	-72.17	399.52	4.31	-67.86
CC1C2CCC(CC1NC(=O)CC1CCCC[N@@H+]1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420488	0	58	0.0	-73.20	414.94	5.61	-67.59
CC1C2CCC(CC1NC(=O)CC1CCCC[N@H+]1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420488	1	58	0.0	-73.20	414.94	5.61	-67.59
CC(C(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1)N1CC(C)C1	REAL300029420498	0	55	0.0	-68.81	408.62	4.73	-64.08
CC(C(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300029420498	1	55	0.0	-68.81	408.62	4.73	-64.08
CC1CCN1CC(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420500	0	52	0.0	-68.29	387.50	3.84	-64.45
CC1CC[N@@H+]1CC(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420500	1	52	0.0	-70.13	386.81	4.54	-65.59
CC1CC[N@H+]1CC(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420500	1	52	0.0	-70.13	386.81	4.54	-65.59
CC1C2CCC(CC1NC(=O)CC(O)C[NH+](C)C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420503	0	55	0.0	-74.89	413.72	2.06	-72.83
CC1CN(C)CC(C(=O)NC2CC3CCC(C2C)N3C(=O)C2=CC(=O)[N-]O2)O1	REAL300029420523	0	56	0.0	-78.68	407.05	4.18	-74.50
CC1C[N@H+](C)CC(C(=O)NC2CC3CCC(C2C)N3C(=O)C2=CC(=O)[N-]O2)O1	REAL300029420523	1	56	0.0	-86.71	406.48	5.85	-80.86
CC1C[N@@H+](C)CC(C(=O)NC2CC3CCC(C2C)N3C(=O)C2=CC(=O)[N-]O2)O1	REAL300029420523	1	56	0.0	-86.71	406.48	5.85	-80.86
CC1C2CCC(CC1NC(=O)[C@H]1C[C@H]([NH+](C)C)C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420570	0	55	0.0	-75.97	399.52	6.46	-69.51
CC(CC[NH+](C)C)C(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420576	0	57	0.0	-72.42	421.16	4.94	-67.48
CC1C2CCC(CC1NC(=O)CN1CCN(C)CC1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420595	0	57	0.0	-74.97	410.34	4.15	-70.82
CC1C2CCC(CC1NC(=O)CN1CC[NH+](C)CC1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420595	1	57	0.0	-74.97	410.34	4.15	-70.82
CC1C2CCC(CC1NC(=O)CSC(N)=[NH2+])N2C(=O)C1=CC(=O)[N-]O1	REAL300029420619	0	46	0.0	-78.63	359.21	1.59	-77.04
CC1C2CCC(CC1NC(=O)C1(CC[NH+](C)C)CC1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420648	0	58	0.0	-78.11	431.74	5.93	-72.18
CC1C2CCC(CC1NC(=O)CC1CC=CC[N@@H+]1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420649	0	56	0.0	-72.68	412.37	5.08	-67.60
CC1C2CCC(CC1NC(=O)CC1CC=CC[N@H+]1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420649	1	56	0.0	-72.68	412.37	5.08	-67.60
C[C@@H](OCC[NH+](C)C)C(=O)NC1CC2CCC(C1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420662	0	58	0.0	-72.32	431.35	5.15	-67.17
CCC1C[NH+](CC(=O)NC2CC3CCC(C2C)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029420748	1	55	0.0	-79.05	403.93	6.49	-72.56
CC1C2CCC(CC1NC(=O)[C@@H]1CCC[N@H+]1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420753	1	52	0.0	-68.87	381.61	4.45	-64.42
CC1C2CCC(CC1NC(=O)CC[N@H+]1CCC(F)C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420759	1	55	0.0	-82.50	403.96	6.56	-75.94
CC1C2CCC(CC1NC(=O)C[NH+]1CCCCC1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420772	0	55	0.0	-77.85	392.98	6.51	-71.34
CC1C(C(=O)NC2CC3CCC(C2C)N3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029420778	0	55	0.0	-73.91	397.65	4.93	-68.98
CC1C(C(=O)NC2CC3CCC(C2C)N3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029420778	1	55	0.0	-73.61	398.13	4.17	-69.44
CC1C2CCC(CC1NC(=O)CC1COCCN1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420807	0	56	0.0	-65.81	404.21	2.72	-63.09
CC1C2CCC(CC1NC(=O)CC1COCC[N@@H+]1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420807	1	56	0.0	-71.88	398.82	3.11	-68.77
CC1C2CCC(CC1NC(=O)CC1COCC[N@H+]1C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420807	1	56	0.0	-65.81	404.21	2.72	-63.09
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1CCC[N@@H+]1C	REAL300029420978	0	52	0.0	-68.88	376.53	5.65	-63.23
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1CCC[N@H+]1C	REAL300029420978	1	52	0.0	-69.09	371.77	5.59	-63.50
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CC[NH+]1CCOCC1	REAL300029421157	1	56	0.0	-72.59	419.71	3.20	-69.39
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C12CCC[NH+]1CCC2	REAL300029421169	0	56	0.0	-62.51	392.59	4.78	-57.73
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300029421175	1	50	0.0	-70.55	393.84	6.97	-63.58
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CC1CC[N@H+](C)C1	REAL300029421206	0	55	0.0	-75.03	401.17	6.39	-68.64
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CC1CC[N@@H+](C)C1	REAL300029421206	1	55	0.0	-74.51	400.89	6.37	-68.14
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=C[NH+]=CC=C1N(C)C	REAL300029421212	0	54	0.0	-76.24	399.19	4.82	-71.42
CCC(C(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029421214	0	54	0.0	-64.16	387.95	4.48	-59.68
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CCCC[NH+](C)C	REAL300029421252	0	57	0.0	-70.49	429.82	5.32	-65.17
CC(C)C(C(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029421268	0	57	0.0	-70.41	399.46	4.99	-65.42
CCC[N@H+](C)CCC(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029421269	0	57	0.0	-75.16	416.30	6.74	-68.42
CCC[N@@H+](C)CCC(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029421269	1	57	0.0	-70.41	426.11	5.12	-65.29
CCC[N@H+](C)CC(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029421273	0	54	0.0	-73.20	393.95	6.17	-67.03
CCC[N@@H+](C)CC(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029421273	1	54	0.0	-73.15	394.02	6.17	-66.98
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C12CC[N@H+](C1)CCC2	REAL300029421288	0	56	0.0	-72.96	384.19	5.62	-67.34
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C12CC[N@@H+](C1)CCC2	REAL300029421288	1	56	0.0	-70.53	392.11	4.37	-66.16
CC1CC[NH+](CC(=O)N2C3CCC2C(C)C(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029421321	0	58	0.0	-68.44	427.13	5.63	-62.81
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1(C[NH+](C)C)CC1	REAL300029421362	0	55	0.0	-71.52	412.68	4.72	-66.80
CC[N@H+](C)CCC(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029421381	0	54	0.0	-69.40	399.06	4.79	-64.61
CC[N@@H+](C)CCC(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029421381	1	54	0.0	-69.72	404.61	4.37	-65.35
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1C[NH+]2CCC1CC2	REAL300029421399	0	56	0.0	-70.00	398.73	4.61	-65.39
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1CC[NH+](C)CC1	REAL300029421448	0	55	0.0	-71.08	402.61	4.44	-66.64
CC(C)[C@H](C(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029421464	0	57	0.0	-70.84	398.87	6.40	-64.44
CC[NH+](CC)CC(F)C(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029421524	0	57	0.0	-69.69	420.58	5.51	-64.18
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1([NH+](C)C)CCC1	REAL300029421545	0	55	0.0	-71.20	379.97	5.86	-65.34
CCC(C(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](CC)CC	REAL300029421573	0	60	0.0	-63.80	414.36	5.54	-58.26
CC1CCC[N@@H+]1CC(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029421584	0	55	0.0	-69.97	399.59	6.44	-63.53
CC1CCC[N@H+]1CC(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029421584	1	55	0.0	-65.15	409.74	4.93	-60.22
CC(C)[N@@H+]1CCCC1C(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029421630	0	58	0.0	-67.31	409.96	6.71	-60.60
CC(C)[N@H+]1CCCC1C(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029421630	1	58	0.0	-65.18	408.92	5.91	-59.27
CC(C)[C@@H](C(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029421639	0	57	0.0	-67.81	406.43	4.65	-63.16
CC1CC[N@H+](CC(=O)N2C3CCC2C(C)C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029421653	0	55	0.0	-71.97	400.32	6.45	-65.52
CC1CC[N@@H+](CC(=O)N2C3CCC2C(C)C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029421653	1	55	0.0	-72.09	398.64	6.55	-65.54
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300029421657	0	58	0.0	-72.36	420.28	7.00	-65.36
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C[N@H+]1CCC(C)(C)C1	REAL300029421657	1	58	0.0	-72.65	418.59	7.12	-65.53
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C[N@H+](C)CC(C)(C)C	REAL300029421658	0	60	0.0	-67.75	429.23	6.10	-61.65
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C[N@@H+](C)CC(C)(C)C	REAL300029421658	1	60	0.0	-72.84	423.32	7.17	-65.67
CC[C@@H](C(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029421666	0	54	0.0	-65.59	394.51	4.17	-61.42
CC1=[NH+]C=CN1CC(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029421787	1	50	0.0	-68.96	384.13	6.37	-62.59
CC[N@@H+]1CCOC(C(=O)N2C3CCC2C(C)C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029421851	1	56	0.0	-70.97	403.21	4.31	-66.66
CC[N@H+]1CCOC(C(=O)N2C3CCC2C(C)C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029421851	1	56	0.0	-64.61	396.48	4.23	-60.38
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300029421881	0	50	0.0	-67.53	393.76	6.94	-60.59
CC1=C[NH+]=CN1CC(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029421884	1	50	0.0	-71.43	384.48	7.10	-64.33
C[C@@H]1[C@H](C(=O)N2C3CCC2C(C)C(NC(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029421891	0	55	0.0	-69.86	399.38	4.09	-65.77
C[C@@H]1[C@H](C(=O)N2C3CCC2C(C)C(NC(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029421891	1	55	0.0	-71.76	387.61	5.98	-65.78
CC[C@@H]1[C@@H](C(=O)N2C3CCC2C(C)C(NC(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029421893	0	58	0.0	-74.08	406.76	6.21	-67.87
CC[C@@H]1[C@@H](C(=O)N2C3CCC2C(C)C(NC(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029421893	1	58	0.0	-68.01	420.00	4.93	-63.08
CC1CCC(C)[NH+]1CC(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029421900	0	58	0.0	-68.96	412.50	6.80	-62.16
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CCC[NH+]1CCCC1	REAL300029421903	0	58	0.0	-68.38	428.86	6.10	-62.28
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CC[NH+]1CCCCC1	REAL300029421907	0	58	0.0	-69.13	428.51	5.60	-63.53
CC[N@@H+]1CCCCC1C(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029421910	0	58	0.0	-64.15	421.25	5.29	-58.86
CC[N@H+]1CCCCC1C(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029421910	1	58	0.0	-67.16	411.55	6.90	-60.26
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C[N@H+](C)C1CCC1	REAL300029422008	0	55	0.0	-70.98	400.93	6.75	-64.23
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C[N@@H+](C)C1CCC1	REAL300029422008	1	55	0.0	-70.73	400.95	6.74	-63.99
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1CC[NH+](C)CC1	REAL300029422039	0	55	0.0	-71.08	402.61	4.44	-66.64
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)[C@H]1CCC[N@@H+]1C	REAL300029422069	0	52	0.0	-65.27	382.17	3.83	-61.44
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)[C@H]1CCC[N@H+]1C	REAL300029422069	1	52	0.0	-70.85	371.41	5.37	-65.48
C#CC[N@H+]1CCC[C@H]1C(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029422087	1	54	0.0	-63.98	409.26	4.91	-59.07
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029422087	1	54	0.0	-65.46	412.38	5.19	-60.27
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CCC1CCC[N@@H+]1C	REAL300029422092	0	58	0.0	-71.67	414.65	6.93	-64.74
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CCC1CCC[N@H+]1C	REAL300029422092	1	58	0.0	-75.23	421.00	7.39	-67.84
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1CCCC[N@@H+]1C	REAL300029422166	0	55	0.0	-63.11	399.45	5.06	-58.05
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1CCCC[N@H+]1C	REAL300029422166	1	55	0.0	-64.61	388.41	4.59	-60.02
CC1C(C(=O)N2C3CCC2C(C)C(NC(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029422224	0	55	0.0	-70.36	395.39	4.84	-65.52
CC1C(C(=O)N2C3CCC2C(C)C(NC(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029422224	1	55	0.0	-72.88	395.61	6.31	-66.57
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300029422280	0	58	0.0	-65.46	405.68	4.08	-61.38
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1CC[N@H+]1C(C)(C)C	REAL300029422280	1	58	0.0	-66.05	403.84	4.25	-61.80
C[C@@H](C(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029422294	0	51	0.0	-67.08	379.52	3.44	-63.64
C=CCC(C)(C(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029422308	0	58	0.0	-71.77	395.43	6.06	-65.71
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CC[NH+]1CCCC1	REAL300029422325	0	55	0.0	-68.84	407.28	5.30	-63.54
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C[N@H+](C)CCO	REAL300029422334	1	52	0.0	-73.62	382.87	2.18	-71.44
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C[N@@H+](C)CCO	REAL300029422334	1	52	0.0	-73.21	382.82	2.21	-71.00
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CC1=CC[N@H+](C)CC1	REAL300029422392	0	56	0.0	-71.02	413.86	7.11	-63.91
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CC1=CC[N@@H+](C)CC1	REAL300029422392	1	56	0.0	-66.35	418.14	5.89	-60.46
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C(O)CC[S+](C)C	REAL300029422402	0	54	0.0	-68.26	422.51	2.49	-65.77
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1(C)CC(O)C[N@@H+]1C	REAL300029422415	0	56	0.0	-68.83	392.12	1.85	-66.98
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1(C)CC(O)C[N@H+]1C	REAL300029422415	1	56	0.0	-70.61	392.57	2.00	-68.61
CC1C[NH+](CC(=O)N2C3CCC2C(C)C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029422445	1	52	0.0	-72.94	386.02	5.85	-67.09
CC[N@@H+]1CCCC(C(=O)N2C3CCC2C(C)C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029422451	0	58	0.0	-65.88	413.90	5.25	-60.63
CC[N@H+]1CCCC(C(=O)N2C3CCC2C(C)C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029422451	1	58	0.0	-66.87	421.49	5.70	-61.17
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CC1=CC=C[NH+]=C1N	REAL300029422455	0	51	0.0	-68.75	388.97	4.58	-64.17
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1CCC[N@@H+]1C1CC1	REAL300029422463	0	56	0.0	-66.19	409.84	5.49	-60.70
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1CCC[N@H+]1C1CC1	REAL300029422463	1	56	0.0	-66.51	403.63	6.98	-59.53
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C=CC[NH+]1CCCC1	REAL300029422493	0	56	0.0	-74.97	415.61	7.16	-67.81
CC[N@H+](C)CC(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029422538	0	51	0.0	-67.72	377.17	4.22	-63.50
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CN1CC2C=CC1C2	REAL300029422573	0	54	0.0	-63.86	398.14	5.40	-58.46
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C[N@@H+]1CC2C=CC1C2	REAL300029422573	1	54	0.0	-64.72	398.31	5.42	-59.30
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C[N@H+]1CC2C=CC1C2	REAL300029422573	1	54	0.0	-64.72	398.31	5.42	-59.30
CC(OCC[NH+](C)C)C(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029422660	0	58	0.0	-67.33	427.75	5.01	-62.32
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CCOCC[NH+](C)C	REAL300029422667	0	58	0.0	-68.79	441.27	3.99	-64.80
COCCN(C)CC(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029422669	0	55	0.0	-73.02	405.06	4.61	-68.41
COCC[N@H+](C)CC(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029422669	1	55	0.0	-73.95	405.13	4.59	-69.36
COCC[N@@H+](C)CC(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029422669	1	55	0.0	-73.95	405.13	4.59	-69.36
CC(CCC(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029422672	0	57	0.0	-72.41	418.09	4.91	-67.50
CC[N@H+](CC(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029422688	0	55	0.0	-65.09	411.07	5.17	-59.92
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C12CC(C1)C[N@@H+]2C	REAL300029422715	0	53	0.0	-73.82	389.03	4.27	-69.55
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C[N@@H+]1CC2CCC1C2	REAL300029422724	0	56	0.0	-65.72	410.80	5.26	-60.46
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C[N@H+]1CC2CCC1C2	REAL300029422724	1	56	0.0	-65.72	410.80	5.26	-60.46
CC(C[NH+](C)C)C(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029422739	0	54	0.0	-68.83	403.76	4.31	-64.52
CCN1CCC1C(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029422776	0	52	0.0	-72.14	384.29	5.81	-66.33
CC[N@@H+]1CCC1C(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029422776	1	52	0.0	-66.79	390.44	4.51	-62.28
CC[N@H+]1CCC1C(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029422776	1	52	0.0	-66.79	390.44	4.51	-62.28
CCC(C)(C)[NH2+]C(C)C(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029422787	0	60	0.0	-65.53	428.42	3.72	-61.81
CNC1=NC(C)=CC=C1C(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029422814	0	54	0.0	-64.26	400.79	5.31	-58.95
CNC1=[NH+]C(C)=CC=C1C(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029422814	1	54	0.0	-64.26	400.79	5.31	-58.95
CCCC(C(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029422823	0	57	0.0	-64.78	409.44	5.26	-59.52
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C(C)(C)[NH+](C)C	REAL300029422828	0	54	0.0	-64.59	379.50	3.60	-60.99
CC(CC[NH+](C)C)C(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029422842	0	57	0.0	-68.88	425.41	4.91	-63.97
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300029422904	0	58	0.0	-69.92	412.04	6.42	-63.50
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1CC(C)(C)C[N@H+]1C	REAL300029422904	1	58	0.0	-63.53	426.39	5.14	-58.39
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CCCCC[NH+](C)C	REAL300029422906	0	60	0.0	-69.93	451.44	6.12	-63.81
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CN1CC[NH+](C)CC1	REAL300029422913	1	57	0.0	-68.84	418.18	3.03	-65.81
CC1C[N@H+](C)CC(C(=O)N2C3CCC2C(C)C(NC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029422966	1	56	0.0	-79.24	411.98	3.78	-75.46
CC1C[N@@H+](C)CC(C(=O)N2C3CCC2C(C)C(NC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029422966	1	56	0.0	-74.67	393.71	5.67	-69.00
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C[NH+]1CC2CC2C1	REAL300029422997	0	53	0.0	-73.02	390.19	6.62	-66.40
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1CCCC[N@@H+]1C	REAL300029423024	0	55	0.0	-63.11	399.45	5.06	-58.05
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1CCCC[N@H+]1C	REAL300029423024	1	55	0.0	-64.61	388.41	4.59	-60.02
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C=C1CC[N@H+](C)C1	REAL300029423098	0	53	0.0	-75.09	389.68	6.44	-68.65
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C=C1CC[N@@H+](C)C1	REAL300029423098	1	53	0.0	-72.01	401.93	4.68	-67.33
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CNC1=CC=[NH+]C=C1	REAL300029423101	0	51	0.0	-67.15	394.68	2.83	-64.32
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1([NH+](C)C)CCCC1	REAL300029423164	0	58	0.0	-70.95	395.24	4.83	-66.12
CCC1C[NH+](CC(=O)N2C3CCC2C(C)C(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029423173	0	55	0.0	-73.71	407.38	6.61	-67.10
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)[C@@H]1CCC[N@@H+]1C	REAL300029423183	0	52	0.0	-65.54	382.58	3.68	-61.86
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)[C@@H]1CCC[N@H+]1C	REAL300029423183	1	52	0.0	-64.67	386.14	3.95	-60.72
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CCC1=CC=C(N)[NH+]=C1	REAL300029423227	0	54	0.0	-67.02	417.96	4.07	-62.95
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300029423278	0	55	0.0	-67.20	406.97	5.23	-61.97
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1(CC[NH+](C)C)CC1	REAL300029423287	0	58	0.0	-72.78	436.89	5.52	-67.26
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CC1CC=CC[N@@H+]1C	REAL300029423288	0	56	0.0	-75.56	404.29	6.95	-68.61
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CC1CC=CC[N@H+]1C	REAL300029423288	1	56	0.0	-63.73	410.62	5.17	-58.56
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)COCC[NH+](C)C	REAL300029423324	0	55	0.0	-67.43	420.32	4.30	-63.13
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CN1C=CSC1=[NH2+]	REAL300029423352	0	48	0.0	-68.19	381.79	4.94	-63.25
C[C@@H](OCC[NH+](C)C)C(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029423394	0	58	0.0	-69.96	426.73	6.38	-63.58
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1CCC[N@H+](C)C1	REAL300029423424	0	55	0.0	-66.46	386.71	6.15	-60.31
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1CCC[N@@H+](C)C1	REAL300029423424	1	55	0.0	-66.46	386.71	6.15	-60.31
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C[NH+]1CCCCCC1	REAL300029423425	0	58	0.0	-67.04	415.48	5.19	-61.85
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C[N+]1=CN(C)C=C1	REAL300029423429	0	50	0.0	-66.35	395.75	6.66	-59.69
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CN1CCC(O)CC1	REAL300029423452	0	56	0.0	-72.59	417.37	1.67	-70.92
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C[NH+]1CCC(O)CC1	REAL300029423452	1	56	0.0	-72.59	417.37	1.67	-70.92
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C[N@H+](C)C1CC1	REAL300029423454	0	52	0.0	-65.17	393.79	4.55	-60.62
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CC[N@@H+]1CCC(F)C1	REAL300029423457	0	55	0.0	-77.79	408.98	6.60	-71.19
CC(CC(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300029423478	0	57	0.0	-70.43	421.63	5.19	-65.24
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CC1COCCN1C	REAL300029423497	0	56	0.0	-68.52	396.60	4.56	-63.96
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CC1COCC[N@@H+]1C	REAL300029423497	1	56	0.0	-69.10	396.50	4.58	-64.52
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CC1COCC[N@H+]1C	REAL300029423497	1	56	0.0	-69.10	396.50	4.58	-64.52
CC1=CC(N)=NC=C1C(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029423537	0	51	0.0	-71.05	385.13	4.02	-67.03
CC1=CC(N)=[NH+]C=C1C(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029423537	1	51	0.0	-71.05	385.13	4.02	-67.03
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300029423567	0	56	0.0	-73.28	411.21	3.18	-70.10
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CC1C[NH+](C)C1	REAL300029423595	0	52	0.0	-68.65	390.27	4.40	-64.25
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CC[N@H+](C)CCO	REAL300029423625	0	55	0.0	-73.49	405.06	2.78	-70.71
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CC[N@@H+](C)CCO	REAL300029423625	1	55	0.0	-73.49	405.06	2.78	-70.71
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CC1CCCC[N@@H+]1C	REAL300029423643	0	58	0.0	-66.47	406.36	6.86	-59.61
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CC1CCCC[N@H+]1C	REAL300029423643	1	58	0.0	-66.47	406.36	6.86	-59.61
CC1CCN1CC(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029423658	0	52	0.0	-65.57	385.15	4.34	-61.23
CC1CC[N@@H+]1CC(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029423658	1	52	0.0	-70.32	379.04	5.67	-64.65
CC1CC[N@H+]1CC(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029423658	1	52	0.0	-70.32	379.04	5.67	-64.65
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C=CC[NH+](C)C	REAL300029423666	0	52	0.0	-76.12	390.54	5.99	-70.13
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CN1CC(C)(C)C1	REAL300029423672	0	55	0.0	-72.54	403.87	6.44	-66.10
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C[NH+]1CC(C)(C)C1	REAL300029423672	1	55	0.0	-72.54	403.87	6.44	-66.10
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CSCC[NH+](C)C	REAL300029423694	0	55	0.0	-72.99	431.35	5.15	-67.84
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C[N@@H+]1CCCC1CO	REAL300029423713	0	56	0.0	-66.44	419.36	1.69	-64.75
CC[NH+](CC)CC(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029423717	0	54	0.0	-66.10	400.69	4.53	-61.57
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CN1CCC1	REAL300029423726	0	49	0.0	-73.11	364.91	5.19	-67.92
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C[NH+]1CCC1	REAL300029423726	1	49	0.0	-73.11	364.91	5.19	-67.92
CC[NH+](CC)CCC(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029423757	0	57	0.0	-68.99	418.05	4.83	-64.16
CC(C(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2)N1CCC1	REAL300029423816	0	52	0.0	-65.89	386.21	3.82	-62.07
CC(C(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300029423816	1	52	0.0	-65.89	386.21	3.82	-62.07
CCC(CC(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300029423821	0	60	0.0	-70.91	435.48	5.67	-65.24
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C(C)(C)C[NH+](C)C	REAL300029423827	0	57	0.0	-68.09	402.66	4.19	-63.90
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)[C@H]1CCCC[N@@H+]1C	REAL300029423864	0	55	0.0	-68.90	395.63	6.27	-62.63
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)[C@H]1CCCC[N@H+]1C	REAL300029423864	1	55	0.0	-64.47	388.36	4.58	-59.89
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CC(O)C[NH+](C)C	REAL300029423888	0	55	0.0	-72.96	417.05	2.22	-70.74
C=CCC(C(=O)N1C2CCC1C(C)C(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029423910	0	55	0.0	-63.37	401.27	4.96	-58.41
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1(C)CC[NH+](C)CC1	REAL300029423923	0	58	0.0	-69.74	398.60	6.32	-63.42
CC1C2CCC(CC1NC(=O)CSCC[NH+](C)C)N2C(=O)C1=CC(=O)[N-]O1	REAL300029423986	0	55	0.0	-75.63	428.01	4.95	-70.68
C[N@@H+]1CCCC1C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029424149	0	51	0.0	-63.74	371.93	3.97	-59.77
C[N@H+]1CCCC1C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029424149	1	51	0.0	-68.46	371.21	4.03	-64.43
C[N@@H+]1CCOC(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029424173	1	52	0.0	-70.41	380.20	3.38	-67.03
C[N@H+]1CCOC(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029424173	1	52	0.0	-76.18	380.16	3.40	-72.78
CC(C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCCCC1	REAL300029424334	0	60	0.0	-64.10	414.47	5.34	-58.76
CC(C)[N@@H+]1CCCCC1C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029424336	0	60	0.0	-66.63	419.16	5.54	-61.09
CC(C)[N@H+]1CCCCC1C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029424336	1	60	0.0	-62.64	412.24	5.45	-57.19
CC(C)[N@@H+]1CCCC1C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029424357	0	57	0.0	-69.38	392.36	5.01	-64.37
CC(C)[N@H+]1CCCC1C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029424357	1	57	0.0	-59.27	388.12	4.81	-54.46
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2CCCC[N@@H+]2C1	REAL300029424373	0	58	0.0	-75.34	413.73	5.78	-69.56
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2CCCC[N@H+]2C1	REAL300029424373	1	58	0.0	-76.23	412.88	5.57	-70.66
CC(C)C1=[NH+]C=CN1CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029424394	1	55	0.0	-62.76	411.99	5.76	-57.00
CC1=[NH+]C=CN1CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029424424	1	49	0.0	-63.79	375.63	4.64	-59.15
CC(C[NH+]1CCOCC1)C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029424425	0	58	0.0	-71.82	416.69	3.61	-68.21
O=C(CCC[NH+]1CCCCC1)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029424441	0	60	0.0	-72.10	431.75	6.25	-65.85
CC(C)(C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCCC1	REAL300029424459	0	60	0.0	-73.99	415.60	5.98	-68.01
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1C[NH+]2CCC1CC2	REAL300029424467	0	55	0.0	-81.75	386.61	4.68	-77.07
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCCC2CCC[N@@H+]21	REAL300029424508	0	58	0.0	-64.42	401.44	5.43	-58.99
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCCC2CCC[N@H+]21	REAL300029424508	1	58	0.0	-64.99	401.50	5.42	-59.57
C[C@@H]1[C@H](C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300029424522	0	54	0.0	-73.85	382.54	4.19	-69.66
C[C@@H]1[C@H](C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300029424522	1	54	0.0	-73.07	387.89	4.62	-68.45
CC[C@@H]1[C@@H](C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300029424526	0	57	0.0	-71.15	401.84	4.64	-66.51
CC[C@@H]1[C@@H](C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300029424526	1	57	0.0	-70.69	406.41	5.09	-65.60
CC[N@@H+]1CCOC(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029424536	1	55	0.0	-73.39	394.31	3.94	-69.45
CC[N@H+]1CCOC(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029424536	1	55	0.0	-76.42	394.29	3.94	-72.48
CC[NH+](CC)CC(F)C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029424577	0	56	0.0	-69.69	404.21	4.69	-65.00
CC1CCC(C)[NH+]1CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029424640	0	57	0.0	-65.69	403.38	4.94	-60.75
O=C(CCC[NH+]1CCCC1)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029424646	0	57	0.0	-71.81	416.08	5.55	-66.26
C#CC[NH+]1CCC(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029424651	0	56	0.0	-75.22	415.59	5.94	-69.28
O=C(CC[NH+]1CCCCC1)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029424652	0	57	0.0	-70.13	409.38	5.31	-64.82
CC[N@@H+]1CCCCC1C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029424658	0	57	0.0	-68.18	404.62	5.19	-62.99
CC[N@H+]1CCCCC1C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029424658	1	57	0.0	-63.88	395.60	4.95	-58.93
CC(C)C[N@@H+]1CCC(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029424672	0	60	0.0	-70.20	430.45	5.86	-64.34
CC(C)C[N@H+]1CCC(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029424672	1	60	0.0	-68.82	430.55	5.98	-62.84
C[NH+](C)C1(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300029424676	0	54	0.0	-73.71	377.92	4.58	-69.13
CC(C)[N@@H+]1CCCC1CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029424678	0	60	0.0	-58.47	414.62	5.46	-53.01
CC(C)[N@H+]1CCCC1CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029424678	1	60	0.0	-68.72	414.23	5.21	-63.51
CC(C)[C@@H](C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029424691	0	56	0.0	-65.32	393.71	5.11	-60.21
C[N@H+](CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300029424732	0	54	0.0	-69.06	391.95	5.08	-63.98
C[N@@H+](CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300029424732	1	54	0.0	-63.31	389.08	4.95	-58.36
CC(C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1C(C)CCC1C	REAL300029424791	0	60	0.0	-63.07	416.52	5.32	-57.75
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029424850	1	53	0.0	-70.45	392.40	4.85	-65.60
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029424850	1	53	0.0	-68.48	397.48	5.24	-63.24
C[N@@H+]1CCCC1CCC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029424856	0	57	0.0	-76.61	409.84	5.37	-71.24
C[N@H+]1CCCC1CCC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029424856	1	57	0.0	-69.70	406.60	4.97	-64.73
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CCC[NH+](CCC1)C2	REAL300029424865	0	58	0.0	-76.96	401.04	5.24	-71.72
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC2CCCC[N@@H+]21	REAL300029424868	0	58	0.0	-59.20	402.78	5.38	-53.82
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC2CCCC[N@H+]21	REAL300029424868	1	58	0.0	-68.65	405.66	5.42	-63.23
O=C(CCCC[NH+]1CCCC1)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029424884	0	60	0.0	-75.55	435.96	6.22	-69.33
C[NH+]1CCC(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029424895	0	54	0.0	-79.14	389.95	4.55	-74.59
C[NH+](C)CC1=CC(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=NO1	REAL300029424930	1	53	0.0	-78.09	400.95	3.92	-74.17
CC1=C(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C=CC2=C[NH+]=CN21	REAL300029424931	0	52	0.0	-73.99	390.28	6.88	-67.11
C[N@@H+]1CCCCC1C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029424962	0	54	0.0	-62.89	375.42	4.35	-58.54
C[N@H+]1CCCCC1C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029424962	1	54	0.0	-68.35	377.57	4.37	-63.98
CC(C)C[N@@H+]1CCCC1C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029424984	0	60	0.0	-68.07	429.83	6.14	-61.93
CC(C)C[N@H+]1CCCC1C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029424984	1	60	0.0	-68.67	418.45	6.11	-62.56
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN2C=[NH+]C=C2C=C1	REAL300029425084	0	49	0.0	-74.54	375.55	6.41	-68.13
CC1=[NH+]C=CN1CCCC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029425092	1	55	0.0	-70.07	417.21	5.92	-64.15
O=C(CC[NH+]1CCOCC1)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029425097	1	55	0.0	-73.10	401.52	3.02	-70.08
CC1=C[NH+]=CN1CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029425127	1	49	0.0	-65.81	374.95	5.32	-60.49
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CCC[NH+]1CCC2	REAL300029425166	0	55	0.0	-65.86	387.49	4.94	-60.92
C[NH+](C)C1CCCC(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029425190	0	60	0.0	-70.86	423.81	5.78	-65.08
C[N@@H+]1CCC(CC(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029425193	0	54	0.0	-74.22	392.43	4.69	-69.53
C[N@H+]1CCC(CC(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029425193	1	54	0.0	-73.74	392.93	4.63	-69.11
CN(C)C1=CC=[NH+]C=C1C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029425205	0	53	0.0	-69.52	392.75	3.71	-65.81
CCC(C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029425210	0	53	0.0	-62.35	374.52	4.13	-58.22
C[NH+](C)C1(CC(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCCC1	REAL300029425222	0	60	0.0	-73.93	409.71	5.52	-68.41
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC2=C[NH+]=CN2C=C1	REAL300029425263	1	49	0.0	-83.04	375.82	6.41	-76.63
C[NH+](C)CCCCC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029425317	0	56	0.0	-69.69	407.39	5.05	-64.64
CC(C)C(C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029425337	0	56	0.0	-65.33	394.92	5.18	-60.15
CCC[N@H+](C)CCC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029425339	0	56	0.0	-72.12	406.98	4.84	-67.28
CCC[N@@H+](C)CCC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029425339	1	56	0.0	-67.32	403.62	4.86	-62.46
CCC[N@H+](C)CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029425344	0	53	0.0	-66.66	385.46	4.43	-62.23
CCC[N@@H+](C)CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029425344	1	53	0.0	-65.47	382.07	4.37	-61.10
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CC[N@H+](C1)CCC2	REAL300029425367	0	55	0.0	-73.20	387.41	4.08	-69.12
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CC[N@@H+](C1)CCC2	REAL300029425367	1	55	0.0	-86.39	387.10	4.35	-82.04
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029425403	0	51	0.0	-68.37	365.68	3.64	-64.73
C[N@H+]1CCC[C@@H]1C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029425403	1	51	0.0	-67.71	372.26	4.15	-63.56
CCCCCC[N@H+](C)CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029425460	0	62	0.0	-66.74	446.57	6.72	-60.02
CCCCCC[N@@H+](C)CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029425460	1	62	0.0	-66.53	446.57	6.71	-59.82
CC[NH+](CC)C(C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(C)C	REAL300029425464	0	62	0.0	-59.78	424.93	6.53	-53.25
CC[NH+](CC)CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029425473	0	53	0.0	-62.38	377.68	4.26	-58.12
CCC[N@@H+]1CCCC(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029425505	0	60	0.0	-70.12	429.99	6.04	-64.08
CCC[N@H+]1CCCC(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029425505	1	60	0.0	-65.12	425.71	5.93	-59.19
CC(C)[N@@H+]1CCOC(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029425520	1	58	0.0	-67.73	410.73	4.56	-63.17
CC(C)[N@H+]1CCOC(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029425520	1	58	0.0	-78.91	417.80	4.72	-74.19
CC1CC[NH+](CC(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029425549	0	57	0.0	-64.54	404.61	5.39	-59.15
C[NH+]1CCC(OCC(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029425575	0	58	0.0	-77.34	424.90	5.04	-72.30
C[NH+](C)CC1(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029425586	0	54	0.0	-71.96	393.65	4.65	-67.31
CC(C)[NH+]1CCC(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029425659	0	60	0.0	-71.04	421.08	5.70	-65.34
C[NH+]1CCC(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029425677	0	54	0.0	-79.14	389.95	4.55	-74.59
CC(C)[C@H](C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029425695	0	56	0.0	-68.06	395.03	5.17	-62.89
CCC(C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](CC)CC	REAL300029425726	0	59	0.0	-60.38	410.81	5.46	-54.92
CC[N@H+](C)CCC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029425782	0	53	0.0	-71.36	385.48	4.10	-67.26
CC[N@@H+](C)CCC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029425782	1	53	0.0	-71.39	385.48	4.10	-67.29
CC1CCC[N@@H+]1CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029425838	0	54	0.0	-63.77	384.08	4.26	-59.51
CC1CCC[N@H+]1CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029425838	1	54	0.0	-65.01	391.63	4.82	-60.19
CC1CC[N@H+](CC(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029425840	0	54	0.0	-66.91	391.49	4.76	-62.15
CC1CC[N@@H+](CC(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029425840	1	54	0.0	-70.49	391.27	4.78	-65.71
CC1(C)CC[N@H+](CC(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029425844	0	57	0.0	-66.54	410.38	5.14	-61.40
CC1(C)CC[N@@H+](CC(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029425844	1	57	0.0	-66.46	411.28	5.28	-61.18
C[N@H+](CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300029425845	0	59	0.0	-64.31	411.19	5.41	-58.90
C[N@@H+](CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300029425845	1	59	0.0	-63.45	412.08	5.48	-57.97
CC[C@@H](C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029425853	0	53	0.0	-68.29	375.00	4.17	-64.12
C[NH+]1CCC(O)(CC(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029426010	0	58	0.0	-70.90	416.40	3.41	-67.49
C[NH+](C)CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426022	0	47	0.0	-71.77	344.99	2.96	-68.81
O=C(C[NH+]1CCC(CO)CC1)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426026	0	58	0.0	-71.48	418.80	2.07	-69.41
O=C(C[NH+]1CCCCCC1)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426027	0	57	0.0	-63.36	392.99	4.97	-58.39
CN1C=C[N+](CC(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300029426031	0	49	0.0	-62.42	374.07	6.46	-55.96
C[N@@H+]1CCCC(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029426038	0	54	0.0	-66.92	387.35	4.56	-62.36
C[N@H+]1CCCC(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029426038	1	54	0.0	-71.05	390.52	4.73	-66.32
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC[N@@H+]1C1CC1	REAL300029426043	0	55	0.0	-63.70	402.12	5.51	-58.19
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC[N@H+]1C1CC1	REAL300029426043	1	55	0.0	-73.08	393.18	5.67	-67.41
CC(C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC1	REAL300029426070	1	51	0.0	-71.06	370.07	4.02	-67.04
CCC(CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300029426075	0	59	0.0	-70.30	413.22	5.41	-64.89
C[NH+](C)CC(C)(C)C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426082	0	56	0.0	-70.82	392.11	4.61	-66.21
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CC(C1)C[N@@H+]2C1CC1	REAL300029426099	0	56	0.0	-70.73	402.15	5.57	-65.16
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CC(C1)C[N@H+]2C1CC1	REAL300029426099	1	56	0.0	-76.78	410.61	5.71	-71.07
O=C(C[NH+]1CCC(O)CC1)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426107	1	55	0.0	-73.79	398.19	1.42	-72.37
C[N@H+](CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029426108	0	51	0.0	-63.71	374.65	4.30	-59.41
C[N@@H+](CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029426108	1	51	0.0	-68.93	374.41	4.36	-64.57
CC(C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)N1CC[NH+](C)CC1	REAL300029426109	1	59	0.0	-69.26	416.32	2.71	-66.55
C[NH+]1CC(CC(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029426127	0	51	0.0	-70.76	376.28	3.77	-66.99
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC[N@@H+]1C1CCCC1	REAL300029426131	0	58	0.0	-68.13	409.96	5.37	-62.76
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC[N@H+]1C1CCCC1	REAL300029426131	1	58	0.0	-64.88	406.51	5.33	-59.55
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426139	0	57	0.0	-67.17	407.47	4.70	-62.47
CC(C)(C)[N@H+]1CCC1C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426139	1	57	0.0	-66.99	392.46	3.83	-63.16
C[C@@H](C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029426150	0	50	0.0	-65.30	363.74	3.43	-61.87
CCC1CCC[N@H+](CC(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029426189	0	60	0.0	-63.79	419.75	5.70	-58.09
CCC1CCC[N@@H+](CC(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029426189	1	60	0.0	-71.78	425.96	6.07	-65.71
C[NH+](C)CC1=CC=C(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300029426196	0	55	0.0	-82.36	411.83	4.12	-78.24
[NH2+]=C1SC=CN1CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426237	0	47	0.0	-63.55	373.32	3.20	-60.35
C[N@H+](CCO)CCC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426247	0	54	0.0	-66.17	392.48	0.90	-65.27
C[N@@H+](CCO)CCC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426247	1	54	0.0	-70.34	395.64	0.89	-69.45
C[C@@H](C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029426248	0	50	0.0	-65.30	363.74	3.43	-61.87
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426252	0	54	0.0	-65.27	378.80	4.43	-60.84
C[N@H+]1CCCC[C@@H]1C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426252	1	54	0.0	-64.74	387.19	4.49	-60.25
CC1CN2CC[N@@H+]1CC2C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426260	0	57	0.0	-77.23	397.99	1.89	-75.34
CC1CN2CC[N@H+]1CC2C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426260	1	57	0.0	-79.95	398.05	1.88	-78.07
O=C(CC1=CC2=C[NH+]=CN2C=C1)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426302	0	52	0.0	-67.03	400.65	7.20	-59.83
C[N@H+](CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCSC1	REAL300029426325	0	55	0.0	-72.05	402.33	5.19	-66.86
C[N@@H+](CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCSC1	REAL300029426325	1	55	0.0	-69.84	404.66	5.13	-64.71
O=C(C[NH+]1CCC1)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426326	1	48	0.0	-67.72	356.48	3.54	-64.18
C[N@@H+]1CCC(=CC(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029426356	0	52	0.0	-75.13	384.15	4.59	-70.54
C[N@H+]1CCC(=CC(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029426356	1	52	0.0	-74.97	383.28	4.48	-70.49
C[NH+](C)CCOCC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426389	0	54	0.0	-71.31	400.81	4.01	-67.30
CCCCC[N@H+](C)CCC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426395	0	62	0.0	-68.37	446.62	6.44	-61.93
CCCCC[N@@H+](C)CCC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426395	1	62	0.0	-68.09	446.62	6.42	-61.67
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300029426404	0	58	0.0	-68.64	420.92	4.84	-63.80
C=CCC(C)(C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029426411	0	57	0.0	-65.68	400.23	5.00	-60.68
C[S+](C)CCC(O)C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426416	0	53	0.0	-83.52	410.23	2.53	-80.99
C[N@@H+]1CC(O)CC1(C)C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426441	0	55	0.0	-79.73	393.24	1.37	-78.36
CN1CC[N@H+](C)CC(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029426451	0	59	0.0	-67.81	417.40	2.77	-65.04
CN1CC[N@@H+](C)CC(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029426451	1	59	0.0	-67.81	417.40	2.77	-65.04
CC(C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[N@@H+]1CCCC(O)C1	REAL300029426452	0	58	0.0	-69.67	414.81	2.13	-67.54
C[N@@H+]1CCCC(O)(CC(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029426470	0	58	0.0	-60.16	416.53	3.40	-56.76
C[N@H+]1CCCC(O)(CC(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029426470	1	58	0.0	-60.16	416.53	3.40	-56.76
CC1CN(CC(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029426473	0	51	0.0	-69.07	375.45	4.04	-65.03
CC1C[NH+](CC(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029426473	1	51	0.0	-69.07	375.45	4.04	-65.03
CN(CCO)CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426499	0	51	0.0	-65.40	370.93	0.39	-65.01
C[N@H+](CCO)CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426499	1	51	0.0	-66.25	370.68	0.37	-65.88
C[N@@H+](CCO)CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426499	1	51	0.0	-66.25	370.68	0.37	-65.88
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1C[N@@H+]2CCN1CCC2	REAL300029426521	0	57	0.0	-75.20	388.86	2.68	-72.52
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1C[N@H+]2CCN1CCC2	REAL300029426521	1	57	0.0	-75.20	388.86	2.68	-72.52
CC[N@@H+]1CCCC(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029426527	0	57	0.0	-64.63	404.22	5.19	-59.44
CC[N@H+]1CCCC(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029426527	1	57	0.0	-64.63	404.22	5.19	-59.44
CC(CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300029426529	0	56	0.0	-71.75	398.72	4.91	-66.84
CC[N@H+](C)CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426540	0	50	0.0	-65.13	360.58	3.62	-61.51
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CCC[N@@H+]1CCCC2	REAL300029426564	0	58	0.0	-63.02	399.24	5.46	-57.56
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CCC[N@H+]1CCCC2	REAL300029426564	1	58	0.0	-63.02	399.24	5.46	-57.56
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CCC[N@@H+]1CC=CC2	REAL300029426569	0	56	0.0	-71.77	391.53	5.47	-66.30
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CCC[N@H+]1CC=CC2	REAL300029426569	1	56	0.0	-71.77	391.53	5.47	-66.30
CC[N@H+](CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029426589	0	54	0.0	-65.67	391.32	4.91	-60.76
CC[NH+](CC)CCC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426605	0	56	0.0	-65.97	395.71	4.55	-61.42
CC1(C)CN(CC(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029426628	0	54	0.0	-71.64	395.38	4.52	-67.12
CC1(C)C[NH+](CC(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029426628	1	54	0.0	-71.64	395.38	4.52	-67.12
CC1(O)CC[N@H+](CC(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029426653	0	55	0.0	-65.18	402.16	1.42	-63.76
C[NH+](C)CC=CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426660	0	51	0.0	-74.04	382.21	4.21	-69.83
CC(OCC[NH+](C)C)C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426681	0	57	0.0	-65.95	420.98	4.63	-61.32
C[NH+](C)CCOCCC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426689	0	57	0.0	-68.57	418.77	3.72	-64.85
COCCN(C)CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426690	0	54	0.0	-66.44	392.94	2.77	-63.67
COCC[N@H+](C)CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426690	1	54	0.0	-65.35	393.18	2.79	-62.56
COCC[N@@H+](C)CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426690	1	54	0.0	-65.35	393.18	2.79	-62.56
C[NH+](C)C1(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCCC1	REAL300029426723	0	57	0.0	-79.05	398.35	5.53	-73.52
CC(CCC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029426726	0	56	0.0	-67.47	399.41	4.65	-62.82
CCN1CCC1C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426733	0	51	0.0	-67.65	369.94	3.58	-64.07
CC[N@@H+]1CCC1C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426733	1	51	0.0	-70.01	377.53	4.12	-65.89
CC[N@H+]1CCC1C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426733	1	51	0.0	-70.01	377.53	4.12	-65.89
CC(C)[N@@H+]1CCCC(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029426743	0	60	0.0	-65.51	418.49	6.08	-59.43
CC(C)[N@H+]1CCCC(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029426743	1	60	0.0	-65.51	418.49	6.08	-59.43
O=C(C[N@H+]1CCCC1CO)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426756	0	55	0.0	-65.78	395.00	0.95	-64.83
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2CCCC[N@@H+]2C1	REAL300029426778	0	58	0.0	-76.23	412.88	5.57	-70.66
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2CCCC[N@H+]2C1	REAL300029426778	1	58	0.0	-76.23	412.88	5.57	-70.66
C[NH+]1CCC(C)(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029426784	0	57	0.0	-59.10	399.29	5.01	-54.09
C=CCC(C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029426812	0	54	0.0	-62.64	389.58	4.50	-58.14
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426822	0	57	0.0	-62.55	411.95	5.04	-57.51
C[NH+](C)CCCCCC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426826	0	59	0.0	-69.96	428.88	5.84	-64.12
CC1C[N@@H+]2CCN1C(C(=O)NC1CCCCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300029426860	0	57	0.0	-74.58	398.72	2.11	-72.47
CC1C[N@H+]2CCN1C(C(=O)NC1CCCCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300029426860	1	57	0.0	-70.03	383.79	2.00	-68.03
CCCC(C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029426861	0	56	0.0	-63.75	398.14	4.81	-58.94
C[NH+](C)C(C)(C)C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426865	0	53	0.0	-77.75	372.86	4.02	-73.73
C[N@@H+]1CCCCC1C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426903	0	54	0.0	-62.89	375.42	4.35	-58.54
C[N@H+]1CCCCC1C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426903	1	54	0.0	-68.35	377.57	4.37	-63.98
C[N@H+]1CC=C(CC(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029426936	0	55	0.0	-66.72	404.49	5.22	-61.50
C[N@@H+]1CC=C(CC(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029426936	1	55	0.0	-62.17	405.38	5.34	-56.83
O=C(CC1([NH+]2CCCC2)CC1)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426945	0	58	0.0	-67.83	412.24	5.73	-62.10
C[NH+](C)CC1=CC=C(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300029426989	1	54	0.0	-78.86	408.48	4.66	-74.20
O=C(C=CC[NH+]1CCCC1)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029427005	0	55	0.0	-75.88	407.68	5.31	-70.57
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC[NH+](C2CC2)CC1	REAL300029427026	0	58	0.0	-68.72	412.24	5.82	-62.90
C[NH+](C)C1(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029427045	0	51	0.0	-74.34	374.36	4.20	-70.14
O=C(CC[NH+]1CCCC1)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029427047	0	54	0.0	-66.26	390.35	4.65	-61.61
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1C[NH+]2CCN1CC2	REAL300029427081	0	54	0.0	-80.34	381.94	1.58	-78.76
C[N@@H+]1CC2CC1(C(=O)NC1CCCCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300029427091	0	52	0.0	-78.23	376.73	4.02	-74.21
C[N@H+]1CC2CC1(C(=O)NC1CCCCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300029427091	1	52	0.0	-72.23	375.39	4.27	-67.96
O=C(C[N@@H+]1CC2CCC1C2)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029427103	0	55	0.0	-65.88	392.12	5.00	-60.88
O=C(C[N@H+]1CC2CCC1C2)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029427103	1	55	0.0	-64.00	389.14	4.78	-59.22
O=C(C=C1C[NH+]2CCC1CC2)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029427144	0	56	0.0	-60.61	401.99	5.29	-55.32
O=C(C[N@@H+]1CC2C=CC1C2)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029427154	1	53	0.0	-62.90	384.45	4.77	-58.13
O=C(C[N@H+]1CC2C=CC1C2)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029427154	1	53	0.0	-62.65	385.55	4.90	-57.75
CC[NH+]1CCN(CC(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029427185	0	59	0.0	-67.00	421.56	3.01	-63.99
CC(C[NH+](C)C)C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029427202	0	53	0.0	-71.70	383.79	4.15	-67.55
C[N@@H+]1CCCCC1CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029427272	0	57	0.0	-76.26	405.40	5.19	-71.07
C[N@H+]1CCCCC1CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029427272	1	57	0.0	-72.85	405.23	5.29	-67.56
CC1=C2C=C(C(=O)NC3CCCCN(C(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300029427288	1	52	0.0	-81.90	397.73	6.98	-74.92
CC(C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CC(C)C1	REAL300029427289	1	54	0.0	-68.20	394.03	4.65	-63.55
CC1CC[N@@H+]1CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029427292	1	51	0.0	-64.86	374.19	4.04	-60.82
CC1CC[N@H+]1CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029427292	1	51	0.0	-65.35	371.10	3.73	-61.62
C[NH+](C)CC(O)CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029427296	0	54	0.0	-71.23	394.63	1.95	-69.28
CC1C[N@H+](C)CC(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300029427323	1	55	0.0	-84.44	396.33	3.72	-80.72
CC1C[N@@H+](C)CC(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300029427323	1	55	0.0	-59.11	394.27	3.99	-55.12
O=C(CC[NH+]1CCC(O)CC1)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029427332	0	58	0.0	-72.93	421.34	2.09	-70.84
CCC[N@@H+]1CCCCC1C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029427334	0	60	0.0	-65.64	417.89	5.82	-59.82
CCC[N@H+]1CCCCC1C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029427334	1	60	0.0	-65.76	427.45	6.00	-59.76
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029427404	0	54	0.0	-69.16	395.58	4.80	-64.36
CC(CC[NH+](C)C)C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029427412	0	56	0.0	-72.50	405.42	4.77	-67.73
C[N@H+](CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CCC[C@H]1O	REAL300029427432	0	58	0.0	-69.01	416.03	2.17	-66.84
C[N@@H+](CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CCC[C@H]1O	REAL300029427432	1	58	0.0	-64.36	415.65	2.17	-62.19
C#CC[N@H+]1CCCCC1C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029427438	1	56	0.0	-65.02	403.13	5.49	-59.53
C#CC[N@@H+]1CCCCC1C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029427438	1	56	0.0	-66.08	413.30	5.77	-60.31
C[NH+]1CCN(CC(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029427441	1	56	0.0	-71.70	404.88	2.58	-69.12
CC[NH+]1CCN(CC(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029427450	0	59	0.0	-67.00	421.56	3.01	-63.99
NC(=[NH2+])SCC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029427474	0	45	0.0	-66.16	350.55	-0.21	-66.37
CC[N@@H+]1CCOCC1CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029427509	0	58	0.0	-66.42	405.91	3.29	-63.13
C[NH+](C)C1CCC(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029427524	0	60	0.0	-74.38	424.68	5.93	-68.45
C[NH+](C)CCC1(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029427525	0	57	0.0	-59.19	416.57	5.44	-53.75
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029427527	0	60	0.0	-61.90	418.22	5.81	-56.09
C[N@@H+]1CC=CCC1CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029427528	0	55	0.0	-75.33	397.49	5.07	-70.26
C[N@H+]1CC=CCC1CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029427528	1	55	0.0	-75.33	397.49	5.07	-70.26
C[C@@H](OCC[NH+](C)C)C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029427549	0	57	0.0	-67.62	420.98	4.62	-63.00
C[NH+]1C2CCC1CC(C(=O)NC1CCCCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300029427575	0	58	0.0	-71.85	387.76	5.45	-66.40
CC(C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCSCC1	REAL300029427681	1	55	0.0	-72.41	397.94	4.79	-67.62
CCC1C[NH+](CC(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029427683	1	54	0.0	-68.79	398.05	4.75	-64.04
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1([NH+]2CCCC2)CCC1	REAL300029427685	0	58	0.0	-64.76	407.24	5.69	-59.07
C[N@H+]1CCC[C@H]1C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029427694	1	51	0.0	-69.04	366.19	3.57	-65.47
O=C(CC[N@@H+]1CCC(F)C1)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029427701	1	54	0.0	-76.32	400.19	4.72	-71.60
COC1C[N@@H+](C)C(C)(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029427709	1	58	0.0	-77.20	416.10	3.71	-73.49
O=C(CC[NH+]1CCCCCC1)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029427717	0	60	0.0	-70.47	419.86	5.88	-64.59
O=C(C[NH+]1CCCCC1)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029427719	0	54	0.0	-67.99	388.21	4.89	-63.10
CC1C(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300029427729	0	54	0.0	-66.89	387.82	4.48	-62.41
CC1C(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300029427729	1	54	0.0	-67.46	388.64	4.54	-62.92
C[N@@H+]1CCCCC1CCC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029427731	0	60	0.0	-68.96	426.57	5.81	-63.15
C[N@H+]1CCCCC1CCC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029427731	1	60	0.0	-69.25	426.82	5.98	-63.27
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC[N@@H+]2CCOCC12	REAL300029427759	0	56	0.0	-73.80	403.97	3.23	-70.57
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC[N@H+]2CCOCC12	REAL300029427759	1	56	0.0	-67.70	398.99	3.34	-64.36
CC1=[NH+]C=C2C=CC(C(=O)NC3CCCCN(C(=O)C4=CC(=O)[N-]O4)CC3)=CN21	REAL300029427764	0	52	0.0	-72.42	397.82	6.31	-66.11
CN1CCOCC1CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029427778	0	55	0.0	-76.60	396.53	2.91	-73.69
C[N@@H+]1CCOCC1CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029427778	1	55	0.0	-66.34	385.92	2.61	-63.73
C[N@H+]1CCOCC1CC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029427778	1	55	0.0	-76.60	396.53	2.91	-73.69
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CCC1C[NH+](CC(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029431345	0	54	0.0	-74.68	400.49	5.03	-69.65
O=C(NC1CCCCN(C(=O)C2([NH+]3CCCC3)CCC2)CC1)C1=CC(=O)[N-]O1	REAL300029431349	0	58	0.0	-71.77	405.04	5.24	-66.53
C[N@@H+]1CCC[C@H]1C(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029431363	0	51	0.0	-62.77	373.07	4.13	-58.64
C[N@H+]1CCC[C@H]1C(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029431363	1	51	0.0	-70.13	361.63	3.49	-66.64
CC[N@@H+]1CCOCC1CC(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029431391	0	58	0.0	-67.38	416.72	3.68	-63.70
NC1=NC2=CC(C(=O)N3CCCCC(NC(=O)C4=CC(=O)[N-]O4)CC3)=CC=C2N1	REAL300029431472	0	51	0.0	-75.13	390.36	4.09	-71.04
NC1=[NH+]C2=CC(C(=O)N3CCCCC(NC(=O)C4=CC(=O)[N-]O4)CC3)=CC=C2N1	REAL300029431472	1	51	0.0	-75.13	390.36	4.09	-71.04
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029431506	0	54	0.0	-69.13	396.29	4.92	-64.21
C[NH+](C)C1CCC(C(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029431520	0	60	0.0	-47.78	398.30	5.49	-42.29
C[NH+](C)CCC1(C(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029431521	0	57	0.0	-72.58	407.17	5.59	-66.99
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029431523	0	60	0.0	-62.89	417.03	5.71	-57.18
C[N@@H+]1CC=CCC1CC(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029431524	0	55	0.0	-77.98	398.80	5.26	-72.72
C[N@H+]1CC=CCC1CC(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029431524	1	55	0.0	-77.98	398.80	5.26	-72.72
CC1=CC(C=CC(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)=CN=C1N	REAL300029431572	0	54	0.0	-63.83	411.38	4.02	-59.81
CC1=CC(C=CC(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)=C[NH+]=C1N	REAL300029431572	1	54	0.0	-63.83	411.38	4.02	-59.81
C[NH+](C)CCOCC(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029431584	0	54	0.0	-61.99	404.57	4.24	-57.75
CCCCC[N@H+](C)CCC(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029431590	0	62	0.0	-77.43	452.39	6.74	-70.69
CCCCC[N@@H+](C)CCC(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029431590	1	62	0.0	-77.43	452.39	6.74	-70.69
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300029431601	0	58	0.0	-67.16	423.57	4.95	-62.21
[NH2+]=C1SC=CN1CC(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029431625	0	47	0.0	-68.96	374.90	3.35	-65.61
C[C@@H](OCC[NH+](C)C)C(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029431694	0	57	0.0	-55.09	420.25	4.67	-50.42
O=C(CC[NH+]1CCCCCC1)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029431732	0	60	0.0	-77.09	421.82	5.85	-71.24
O=C(C[NH+]1CCCCC1)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029431736	0	54	0.0	-62.26	390.44	4.99	-57.27
C[N@@H+]1CCCC(C(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029431738	0	54	0.0	-67.51	388.87	4.61	-62.90
C[N@H+]1CCCC(C(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029431738	1	54	0.0	-61.53	379.19	4.78	-56.75
O=C(C[NH+]1CCC(CO)CC1)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029431739	0	58	0.0	-75.26	421.58	2.35	-72.91
O=C(C[NH+]1CCCCCC1)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029431740	0	57	0.0	-73.89	401.00	5.56	-68.33
CN1C=C[N+](CC(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300029431745	0	49	0.0	-57.74	379.94	6.63	-51.11
C[NH+](C)CC1=CC=C(C(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300029431761	1	54	0.0	-71.89	410.48	5.10	-66.79
O=C(C[NH+]1CCC(O)CC1)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029431777	1	55	0.0	-77.80	400.62	1.70	-76.10
C[N@@H+](CC(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029431782	1	51	0.0	-71.15	377.21	4.60	-66.55
CC(C(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1)N1CC[NH+](C)CC1	REAL300029431784	1	59	0.0	-74.09	416.88	2.82	-71.27
O=C(CC[N@@H+]1CCC(F)C1)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029431786	1	54	0.0	-74.13	402.99	5.04	-69.09
COC1C[N@@H+](C)C(C)(C(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029431796	1	58	0.0	-61.93	400.38	2.97	-58.96
CC(CC(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300029431813	0	56	0.0	-66.34	405.89	5.18	-61.16
O=C(NC1CCCCN(C(=O)C2CC[N@@H+]3CCOCC23)CC1)C1=CC(=O)[N-]O1	REAL300029431828	0	56	0.0	-78.41	395.93	3.06	-75.35
O=C(NC1CCCCN(C(=O)C2CC[N@H+]3CCOCC23)CC1)C1=CC(=O)[N-]O1	REAL300029431828	1	56	0.0	-63.79	398.86	3.25	-60.54
CC1=[NH+]C=C2C=CC(C(=O)N3CCCCC(NC(=O)C4=CC(=O)[N-]O4)CC3)=CN21	REAL300029431833	0	52	0.0	-71.49	404.15	6.35	-65.14
C[N@@H+]1CCOCC1CC(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029431847	1	55	0.0	-69.63	390.96	2.88	-66.75
C[N@H+]1CCOCC1CC(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029431847	1	55	0.0	-64.25	391.82	2.84	-61.41
CC[NH+]1CCN(CC(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029431855	0	59	0.0	-61.21	422.01	3.23	-57.98
CC1=CC(N)=[NH+]C=C1C(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029431907	1	50	0.0	-73.96	379.54	2.49	-71.47
NC1=CC=C(CCC(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C=[NH+]1	REAL300029431910	0	53	0.0	-72.50	406.80	3.72	-68.78
CC1(O)CC[N@H+](CC(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029431949	0	55	0.0	-74.14	404.07	1.57	-72.57
CC1(O)CC[N@@H+](CC(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029431949	1	55	0.0	-64.81	405.26	1.54	-63.27
C[NH+]1CC(CC(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029431983	0	51	0.0	-74.77	379.10	4.06	-70.71
O=C(NC1CCCCN(C(=O)C2CC[N@@H+]2C2CCCC2)CC1)C1=CC(=O)[N-]O1	REAL300029431988	0	58	0.0	-71.24	412.27	5.63	-65.61
O=C(NC1CCCCN(C(=O)C2CC[N@H+]2C2CCCC2)CC1)C1=CC(=O)[N-]O1	REAL300029431988	1	58	0.0	-74.22	415.20	5.81	-68.41
C[NH+](C)CC(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029431996	0	47	0.0	-62.50	348.70	3.12	-59.38
C[N@H+](CCO)CCC(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029432024	0	54	0.0	-64.94	399.17	1.18	-63.76
C[N@@H+](CCO)CCC(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029432024	1	54	0.0	-74.85	398.21	1.24	-73.61
C[C@@H](C(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029432025	0	50	0.0	-65.57	364.45	3.60	-61.97
C[N@@H+]1CCCCC1CC(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029432045	0	57	0.0	-74.64	404.35	5.31	-69.33
C[N@H+]1CCCCC1CC(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029432045	1	57	0.0	-60.54	400.05	5.28	-55.26
CC1=C2C=C(C(=O)N3CCCCC(NC(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300029432065	1	52	0.0	-65.94	392.38	6.68	-59.26
CC(C(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CC(C)C1	REAL300029432066	0	54	0.0	-64.49	394.04	4.76	-59.73
CC1CC[N@@H+]1CC(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029432070	1	51	0.0	-71.34	373.61	3.99	-67.35
CC1CC[N@H+]1CC(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029432070	1	51	0.0	-66.47	380.05	4.29	-62.18
C[NH+](C)CC=CC(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029432083	0	51	0.0	-69.64	381.75	4.29	-65.35
CC1(C)C[NH+](CC(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029432096	1	54	0.0	-67.05	399.24	4.82	-62.23
CC1=C(C)[NH+]=C(CCC(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300029432114	1	55	0.0	-68.89	418.05	4.52	-64.37
CC1=C2C=C(C(=O)N3CCCCC(NC(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300029432125	1	52	0.0	-65.94	392.38	6.68	-59.26
C[NH+](C)CCSCC(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029432134	0	54	0.0	-74.87	415.60	5.14	-69.73
O=C(C[N@H+]1CCCC1CO)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029432159	0	55	0.0	-66.16	398.54	1.28	-64.88
O=C(C[N@@H+]1CCCC1CO)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029432159	1	55	0.0	-72.87	400.93	1.78	-71.09
CC[NH+](CC)CC(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029432163	0	53	0.0	-71.57	383.54	4.52	-67.05
C[N@H+](CC(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1)C1CCSC1	REAL300029432173	0	55	0.0	-71.75	407.74	5.46	-66.29
C[N@@H+](CC(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1)C1CCSC1	REAL300029432173	1	55	0.0	-70.98	408.06	5.34	-65.64
O=C(C[NH+]1CCC1)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029432175	1	48	0.0	-74.01	357.94	3.60	-70.41
CC[NH+](CC)CCC(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029432221	0	56	0.0	-65.82	406.66	5.11	-60.71
C[NH+](C)CC1=CNC(C(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300029432283	0	55	0.0	-58.87	405.93	5.05	-53.82
CC(C(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC(O)CC1	REAL300029432300	0	58	0.0	-74.73	413.59	1.89	-72.84
O=C(NC1CCCCN(C(=O)C2CC3COCC[N@@H+]3C2)CC1)C1=CC(=O)[N-]O1	REAL300029432306	0	56	0.0	-72.92	402.82	3.40	-69.52
O=C(NC1CCCCN(C(=O)C2CC3COCC[N@H+]3C2)CC1)C1=CC(=O)[N-]O1	REAL300029432306	1	56	0.0	-76.30	394.86	3.05	-73.25
CC(C(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC1	REAL300029432320	1	51	0.0	-70.52	364.87	3.69	-66.83
CCC(CC(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300029432326	0	59	0.0	-66.80	420.05	5.66	-61.14
NC1=CC=C(C=CC(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C=[NH+]1	REAL300029432333	0	51	0.0	-66.31	393.23	3.31	-63.00
C[NH+](C)CC(C)(C)C(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029432334	0	56	0.0	-61.16	380.05	4.01	-57.15
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029432392	0	54	0.0	-68.72	374.15	4.39	-64.33
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029432392	1	54	0.0	-64.44	388.16	4.71	-59.73
CC1CN2CC[N@@H+]1CC2C(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029432406	0	57	0.0	-77.35	397.33	1.76	-75.59
CC1CN2CC[N@H+]1CC2C(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029432406	1	57	0.0	-77.53	386.95	1.32	-76.21
C[NH+](C)CC(O)CC(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029432427	0	54	0.0	-78.73	400.29	2.23	-76.50
C[NH+]1C2CCC1CC(C(=O)N1CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300029432430	0	58	0.0	-75.00	403.38	5.12	-69.88
C=CCC(C(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029432462	0	54	0.0	-71.70	381.99	4.37	-67.33
O=C(NC1CCCCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC1)C1=CC(=O)[N-]O1	REAL300029432470	0	58	0.0	-75.68	411.52	5.66	-70.02
O=C(NC1CCCCN(C(=O)C2CC3CCCC[N@H+]3C2)CC1)C1=CC(=O)[N-]O1	REAL300029432470	1	58	0.0	-75.67	411.92	5.68	-69.99
C[NH+]1CCC(C)(C(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029432481	0	57	0.0	-64.44	394.48	4.66	-59.78
C[NH+]1CCC(O)(CC(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029432483	0	58	0.0	-68.89	418.66	3.53	-65.36
CC1=C2C=C(C(=O)NC3CCCCN(C(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300029432559	1	52	0.0	-81.90	397.73	6.98	-74.92
C[NH+](C)CCSCC(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029432568	0	54	0.0	-82.07	413.15	4.95	-77.12
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2COCC[N@@H+]2C1	REAL300029432576	0	56	0.0	-72.97	403.77	3.25	-69.72
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2COCC[N@H+]2C1	REAL300029432576	1	56	0.0	-72.26	405.03	3.35	-68.91
C[N@@H+]1CCCC1C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029432739	0	50	0.0	-73.40	383.04	0.14	-73.26
C[N@H+]1CCCC1C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029432739	1	50	0.0	-72.26	382.20	0.16	-72.10
C[N@@H+]1CCOC(C(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029432763	1	51	0.0	-90.25	398.22	-0.10	-90.35
C[N@H+]1CCOC(C(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029432763	1	51	0.0	-88.99	390.85	-0.20	-89.19
CC(C)[N@@H+]1CCCC1C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029432913	0	56	0.0	-67.84	420.52	1.62	-66.22
CC(C)[N@H+]1CCCC1C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029432913	1	56	0.0	-72.93	414.73	2.13	-70.80
CC1=[NH+]C=CN1CC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029432943	1	48	0.0	-70.20	392.13	1.23	-68.97
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1C[NH+]3CCC1CC3)CC2CO	REAL300029432965	0	54	0.0	-81.13	402.36	1.25	-79.88
C[C@@H]1[C@H](C(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029432998	0	53	0.0	-76.14	400.21	0.99	-75.15
C[C@@H]1[C@H](C(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029432998	1	53	0.0	-79.62	406.00	0.86	-78.76
CC[C@@H]1[C@@H](C(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029433000	0	56	0.0	-78.72	417.87	1.19	-77.53
CC[C@@H]1[C@@H](C(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029433000	1	56	0.0	-76.96	422.34	1.53	-75.43
CC[N@@H+]1CCOC(C(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029433006	1	54	0.0	-74.35	408.55	0.42	-73.93
CC[N@H+]1CCOC(C(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029433006	1	54	0.0	-77.38	409.04	0.40	-76.98
CC[NH+](CC)CC(F)C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029433032	0	55	0.0	-75.69	424.27	1.52	-74.17
CC1CCC(C)[NH+]1CC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029433065	0	56	0.0	-70.57	421.68	1.62	-68.95
O=C(CCC[NH+]1CCCC1)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029433068	0	56	0.0	-76.79	434.61	2.18	-74.61
O=C(CC[NH+]1CCCCC1)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029433071	0	56	0.0	-76.10	428.80	2.07	-74.03
CC[N@@H+]1CCCCC1C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029433074	0	56	0.0	-68.12	411.06	1.42	-66.70
CC[N@H+]1CCCCC1C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029433074	1	56	0.0	-68.63	422.63	1.83	-66.80
C[NH+](C)C1(C(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCC1	REAL300029433084	0	53	0.0	-71.78	392.78	0.70	-71.08
CC(C)[C@@H](C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029433090	0	55	0.0	-70.29	407.31	1.09	-69.20
C[N@H+](CC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300029433114	0	53	0.0	-70.87	410.02	1.63	-69.24
C[N@@H+](CC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300029433114	1	53	0.0	-71.78	410.91	1.60	-70.18
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029433179	1	52	0.0	-71.33	409.41	1.40	-69.93
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029433179	1	52	0.0	-73.03	416.98	1.82	-71.21
C[N@@H+]1CCCC1CCC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029433184	0	56	0.0	-80.64	431.76	2.15	-78.49
C[N@H+]1CCCC1CCC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029433184	1	56	0.0	-78.90	428.38	2.01	-76.89
C[NH+]1CCC(C(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029433200	0	53	0.0	-82.69	405.44	1.02	-81.67
C[N@@H+]1CCCCC1C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029433234	0	53	0.0	-74.36	396.56	0.93	-73.43
C[N@H+]1CCCCC1C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029433234	1	53	0.0	-70.12	404.41	1.19	-68.93
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CN3C=[NH+]C=C3C=C1)CC2CO	REAL300029433295	0	48	0.0	-65.58	391.14	2.75	-62.83
O=C(CC[NH+]1CCOCC1)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029433301	1	54	0.0	-79.38	420.05	-0.35	-79.73
CC1=C[NH+]=CN1CC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029433314	1	48	0.0	-70.99	392.44	1.95	-69.04
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C13CCC[NH+]1CCC3)CC2CO	REAL300029433333	0	54	0.0	-69.66	403.84	1.01	-68.65
C[N@@H+]1CCC(CC(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029433342	0	53	0.0	-78.89	411.33	1.24	-77.65
C[N@H+]1CCC(CC(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029433342	1	53	0.0	-76.57	410.04	1.28	-75.29
CCC(C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029433349	0	52	0.0	-69.76	393.34	0.51	-69.25
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC3=C[NH+]=CN3C=C1)CC2CO	REAL300029433376	1	48	0.0	-82.03	399.24	3.09	-78.94
C[NH+](C)CCCCC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029433404	0	55	0.0	-79.56	430.14	1.79	-77.77
CC(C)C(C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029433416	0	55	0.0	-74.69	408.70	1.25	-73.44
CCC[N@H+](C)CCC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029433417	0	55	0.0	-77.72	426.39	1.61	-76.11
CCC[N@@H+](C)CCC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029433417	1	55	0.0	-77.83	426.39	1.61	-76.22
CCC[N@H+](C)CC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029433420	0	52	0.0	-73.10	403.02	1.10	-72.00
CCC[N@@H+](C)CC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029433420	1	52	0.0	-73.93	404.01	1.02	-72.91
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C13CC[N@H+](C1)CCC3)CC2CO	REAL300029433434	0	54	0.0	-72.70	398.10	0.53	-72.17
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C13CC[N@@H+](C1)CCC3)CC2CO	REAL300029433434	1	54	0.0	-63.85	397.90	0.48	-63.37
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029433460	0	50	0.0	-72.90	382.79	0.17	-72.73
C[N@H+]1CCC[C@@H]1C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029433460	1	50	0.0	-69.73	386.98	0.56	-69.17
CC[NH+](CC)CC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029433493	0	52	0.0	-72.13	396.37	0.70	-71.43
CC1CC[NH+](CC(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029433553	0	56	0.0	-74.65	427.38	2.10	-72.55
C[NH+](C)CC1(C(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029433573	0	53	0.0	-72.69	412.42	1.22	-71.47
C[NH+]1CCC(C(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029433625	0	53	0.0	-82.69	405.44	1.02	-81.67
CC(C)[C@H](C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029433641	0	55	0.0	-72.11	408.58	1.39	-70.72
CCC(C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](CC)CC	REAL300029433669	0	58	0.0	-67.69	425.82	1.79	-65.90
CC[N@H+](C)CCC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029433702	0	52	0.0	-77.07	404.89	0.87	-76.20
CC[N@@H+](C)CCC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029433702	1	52	0.0	-77.07	404.88	0.85	-76.22
CC1CCC[N@@H+]1CC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029433728	0	53	0.0	-70.03	408.75	1.35	-68.68
CC1CCC[N@H+]1CC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029433728	1	53	0.0	-71.41	409.39	1.41	-70.00
CC1CC[N@H+](CC(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029433729	0	53	0.0	-72.16	409.13	1.35	-70.81
CC1CC[N@@H+](CC(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029433729	1	53	0.0	-71.90	409.77	1.38	-70.52
CC1(C)CC[N@H+](CC(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029433733	0	56	0.0	-71.70	428.85	1.91	-69.79
CC1(C)CC[N@@H+](CC(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029433733	1	56	0.0	-72.07	429.82	1.93	-70.14
C[N@H+](CC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC(C)(C)C	REAL300029433734	0	58	0.0	-74.11	432.64	2.03	-72.08
C[N@@H+](CC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC(C)(C)C	REAL300029433734	1	58	0.0	-71.94	433.59	2.22	-69.72
CC[C@@H](C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029433742	0	52	0.0	-72.19	396.71	0.72	-71.47
C[NH+](C)CC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029433838	0	46	0.0	-74.53	364.79	-0.38	-74.91
O=C(C[NH+]1CCCCCC1)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029433841	0	56	0.0	-73.33	415.87	1.68	-71.65
CN1C=C[N+](CC(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300029433844	0	48	0.0	-71.25	396.03	3.14	-68.11
C[N@@H+]1CCCC(C(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029433848	0	53	0.0	-77.06	409.16	1.19	-75.87
C[N@H+]1CCCC(C(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029433848	1	53	0.0	-73.35	398.78	1.20	-72.15
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCC[N@@H+]1C1CC1)CC2CO	REAL300029433853	0	54	0.0	-67.70	414.69	1.62	-66.08
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCC[N@H+]1C1CC1)CC2CO	REAL300029433853	1	54	0.0	-71.98	413.34	1.48	-70.50
CC(C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCC1	REAL300029433868	1	50	0.0	-70.16	388.47	0.45	-69.71
CCC(CC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300029433872	0	58	0.0	-78.09	435.83	2.14	-75.95
C[NH+](C)CC(C)(C)C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029433877	0	55	0.0	-76.56	406.49	0.81	-75.75
O=C(C[NH+]1CCC(O)CC1)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029433890	1	54	0.0	-79.15	417.63	-1.86	-81.01
C[N@H+](CC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029433891	0	50	0.0	-70.95	394.05	1.02	-69.93
C[N@@H+](CC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029433891	1	50	0.0	-71.33	394.19	1.04	-70.29
C[NH+]1CC(CC(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029433906	0	50	0.0	-74.43	395.18	0.51	-73.92
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029433917	0	56	0.0	-71.25	426.12	1.40	-69.85
CC(C)(C)[N@H+]1CCC1C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029433917	1	56	0.0	-70.72	405.61	0.57	-70.15
C[C@@H](C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029433928	0	49	0.0	-71.25	380.70	0.02	-71.23
[NH2+]=C1SC=CN1CC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029433985	0	46	0.0	-69.44	391.84	-0.19	-69.63
C[N@H+](CCO)CCC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029433991	0	53	0.0	-77.15	415.24	-2.35	-79.50
C[N@@H+](CCO)CCC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029433991	1	53	0.0	-76.04	415.22	-2.39	-78.43
C[C@@H](C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029433992	0	49	0.0	-71.25	380.70	0.02	-71.23
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029433996	0	53	0.0	-71.15	393.47	0.73	-70.42
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029433996	1	53	0.0	-70.15	404.40	1.19	-68.96
O=C(C[NH+]1CCC1)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434046	1	47	0.0	-74.56	375.07	0.10	-74.46
C[N@@H+]1CCC(=CC(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029434063	0	51	0.0	-79.48	402.45	1.15	-78.33
C[N@H+]1CCC(=CC(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029434063	1	51	0.0	-79.45	401.89	1.17	-78.28
C[NH+](C)CCOCC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434084	0	53	0.0	-76.27	420.65	0.75	-75.52
C=CCC(C)(C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029434097	0	56	0.0	-80.48	409.64	1.58	-78.90
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434118	0	54	0.0	-70.33	407.16	-2.85	-73.18
CC1CN(CC(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029434136	0	50	0.0	-74.41	396.07	0.71	-73.70
CC1C[NH+](CC(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029434136	1	50	0.0	-74.41	396.07	0.71	-73.70
CN(CCO)CC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434154	0	50	0.0	-74.57	392.87	-2.95	-77.52
C[N@H+](CCO)CC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434154	1	50	0.0	-73.07	391.65	-2.89	-75.96
C[N@@H+](CCO)CC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434154	1	50	0.0	-73.07	391.65	-2.89	-75.96
CC[N@@H+]1CCCC(C(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029434174	0	56	0.0	-65.45	426.60	1.80	-63.65
CC[N@H+]1CCCC(C(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029434174	1	56	0.0	-65.45	426.60	1.80	-63.65
CC(CC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300029434176	0	55	0.0	-74.98	420.97	1.71	-73.27
CC[N@H+](C)CC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434181	0	49	0.0	-72.30	381.52	0.33	-71.97
CC[N@H+](CC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029434213	0	53	0.0	-71.47	411.55	1.65	-69.82
CC[NH+](CC)CCC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434223	0	55	0.0	-76.11	422.74	1.56	-74.55
CC1(C)CN(CC(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029434240	0	53	0.0	-72.88	414.44	1.29	-71.59
CC1(C)C[NH+](CC(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029434240	1	53	0.0	-72.88	414.44	1.29	-71.59
CC1(O)CC[N@H+](CC(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029434258	0	54	0.0	-74.59	421.21	-1.97	-76.56
C[NH+](C)CC=CC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434261	0	50	0.0	-80.46	399.57	0.82	-79.64
CC(OCC[NH+](C)C)C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434270	0	56	0.0	-77.16	435.80	1.17	-75.99
C[NH+](C)CCOCCC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434276	0	56	0.0	-76.63	441.62	0.45	-76.18
COCCN(C)CC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434277	0	53	0.0	-72.85	413.91	-0.49	-73.34
COCC[N@H+](C)CC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434277	1	53	0.0	-74.81	415.12	-0.55	-75.36
COCC[N@@H+](C)CC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434277	1	53	0.0	-74.81	415.12	-0.55	-75.36
C[NH+](C)C1(C(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCCC1	REAL300029434297	0	56	0.0	-75.74	404.30	1.18	-74.56
CC(CCC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029434299	0	55	0.0	-80.54	418.43	1.38	-79.16
CCN1CCC1C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434305	0	50	0.0	-70.63	387.99	0.37	-70.26
CC[N@@H+]1CCC1C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434305	1	50	0.0	-71.27	385.41	0.15	-71.12
CC[N@H+]1CCC1C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434305	1	50	0.0	-71.27	385.41	0.15	-71.12
O=C(C[N@H+]1CCCC1CO)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434317	0	54	0.0	-69.15	409.63	-1.77	-70.92
C[NH+]1CCC(C)(C(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029434338	0	56	0.0	-74.35	413.41	1.21	-73.14
C=CCC(C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029434356	0	53	0.0	-68.97	407.14	1.06	-67.91
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434363	0	56	0.0	-68.69	426.41	1.55	-67.14
C[N@H+]1CC(C)(C)CC1C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434363	1	56	0.0	-68.69	426.41	1.55	-67.14
C[NH+](C)CCCCCC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434365	0	58	0.0	-78.92	451.64	2.56	-76.36
CCCC(C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029434385	0	55	0.0	-73.44	415.81	1.45	-71.99
C[NH+](C)C(C)(C)C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434388	0	52	0.0	-75.40	385.36	0.03	-75.37
C[N@@H+]1CCCCC1C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434413	0	53	0.0	-70.12	404.41	1.19	-68.93
C[N@H+]1CC=C(CC(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029434436	0	54	0.0	-71.60	422.86	2.01	-69.59
C[N@@H+]1CC=C(CC(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029434436	1	54	0.0	-71.60	422.86	2.01	-69.59
O=C(C=CC[NH+]1CCCC1)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434470	0	54	0.0	-79.48	425.89	2.01	-77.47
O=C(CC[NH+]1CCCC1)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434502	0	53	0.0	-76.43	413.13	1.38	-75.05
C[N@@H+]1CC2CC1(C(=O)N1CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029434529	0	51	0.0	-69.65	391.91	0.56	-69.09
O=C(C[N@@H+]1CC2CCC1C2)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434536	0	54	0.0	-70.99	408.55	1.55	-69.44
O=C(C[N@H+]1CC2CCC1C2)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434536	1	54	0.0	-70.99	408.55	1.55	-69.44
O=C(CN1CC2C=CC1C2)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434574	0	52	0.0	-70.59	403.82	1.64	-68.95
O=C(C[N@@H+]1CC2C=CC1C2)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434574	1	52	0.0	-72.21	404.24	1.65	-70.56
O=C(C[N@H+]1CC2C=CC1C2)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434574	1	52	0.0	-72.21	404.24	1.65	-70.56
CC(C[NH+](C)C)C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434606	0	52	0.0	-67.18	398.69	0.74	-66.44
C[N@@H+]1CCCCC1CC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434650	0	56	0.0	-67.27	416.55	1.71	-65.56
C[N@H+]1CCCCC1CC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434650	1	56	0.0	-67.27	416.55	1.71	-65.56
CC1CCN1CC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434662	0	50	0.0	-72.77	395.69	0.72	-72.05
CC1CC[N@@H+]1CC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434662	1	50	0.0	-70.57	389.96	0.47	-70.10
CC1CC[N@H+]1CC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434662	1	50	0.0	-70.57	389.96	0.47	-70.10
C[NH+](C)CC(O)CC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434665	0	53	0.0	-81.51	417.27	-1.32	-82.83
CC1CN(C)CC(C(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029434685	0	54	0.0	-81.19	411.43	0.48	-80.71
CC1C[N@H+](C)CC(C(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029434685	1	54	0.0	-77.76	411.39	0.51	-77.25
CC1C[N@@H+](C)CC(C(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029434685	1	54	0.0	-77.76	411.39	0.51	-77.25
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029434727	0	53	0.0	-76.50	413.86	1.35	-75.15
CC(CC[NH+](C)C)C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434732	0	55	0.0	-77.32	420.98	1.26	-76.06
CN1CCN(CC(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029434749	0	55	0.0	-76.90	423.96	-0.84	-77.74
C[NH+]1CCN(CC(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029434749	1	55	0.0	-76.90	423.96	-0.84	-77.74
NC(=[NH2+])SCC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434771	0	44	0.0	-78.25	373.32	-3.45	-81.70
C[NH+](C)CCC1(C(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029434799	0	56	0.0	-76.52	434.96	1.98	-74.54
C[N@@H+]1CC=CCC1CC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434800	0	54	0.0	-75.98	414.70	1.76	-74.22
C[N@H+]1CC=CCC1CC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434800	1	54	0.0	-75.98	414.70	1.76	-74.22
C[C@@H](OCC[NH+](C)C)C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434812	0	56	0.0	-75.80	436.53	1.25	-74.55
CCC1C[NH+](CC(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029434890	1	53	0.0	-75.43	417.44	1.48	-73.95
C[N@@H+]1CCC[C@H]1C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434895	0	50	0.0	-71.07	387.69	0.48	-70.59
C[N@H+]1CCC[C@H]1C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434895	1	50	0.0	-69.08	382.02	0.18	-68.90
O=C(CC[N@@H+]1CCC(F)C1)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434901	0	53	0.0	-78.42	418.85	1.51	-76.91
O=C(CC[N@H+]1CCC(F)C1)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434901	1	53	0.0	-77.94	418.39	1.50	-76.44
O=C(C[NH+]1CCCCC1)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434914	0	53	0.0	-73.80	406.52	1.49	-72.31
CC1C(C(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029434920	0	53	0.0	-69.73	406.27	1.03	-68.70
CC1C(C(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029434920	1	53	0.0	-75.66	403.64	0.70	-74.96
C[N@@H+]1CCOCC1CC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434949	1	54	0.0	-70.95	406.95	-0.64	-71.59
C[N@H+]1CCOCC1CC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434949	1	54	0.0	-82.11	415.32	-0.48	-82.59
C[N@@H+]1CCCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029435119	0	50	0.0	-67.82	387.52	0.55	-67.27
C[N@H+]1CCCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029435119	1	50	0.0	-79.61	382.14	0.14	-79.47
C[N@@H+]1CCOC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)C1	REAL300029435145	1	51	0.0	-79.90	397.40	-0.02	-79.92
C[N@H+]1CCOC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)C1	REAL300029435145	1	51	0.0	-87.48	390.41	-0.19	-87.67
O=C(CC[NH+]1CCOCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029435296	1	54	0.0	-87.57	418.19	-0.30	-87.87
O=C(C1=CC(=O)[N-]O1)N1CC(CO)C2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1	REAL300029435306	0	54	0.0	-66.69	402.42	1.23	-65.46
O=C(C1=CC2=C[NH+]=CN2C=C1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029435312	1	48	0.0	-88.98	389.13	2.70	-86.28
C[N@@H+]1CCC(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)C1	REAL300029435338	0	53	0.0	-84.48	410.20	1.23	-83.25
C[N@H+]1CCC(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)C1	REAL300029435338	1	53	0.0	-85.75	409.14	1.27	-84.48
CCC(C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO)[NH+](C)C	REAL300029435345	0	52	0.0	-80.68	390.42	0.64	-80.04
C[NH+](C)CCCCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029435380	0	55	0.0	-74.16	428.43	1.79	-72.37
CC(C)C(C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO)[NH+](C)C	REAL300029435394	0	55	0.0	-80.15	408.28	1.42	-78.73
CCC[N@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029435395	0	55	0.0	-85.35	424.51	1.66	-83.69
CCC[N@@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029435395	1	55	0.0	-84.59	424.62	1.63	-82.96
CCC[N@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029435398	0	52	0.0	-82.42	402.15	1.11	-81.31
CCC[N@@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029435398	1	52	0.0	-82.49	402.15	1.11	-81.38
O=C(C1=CC(=O)[N-]O1)N1CC(CO)C2(CN(C(=O)C34CC[N@H+](C3)CCC4)C2)C1	REAL300029435412	0	54	0.0	-71.85	400.54	0.58	-71.27
O=C(C1=CC(=O)[N-]O1)N1CC(CO)C2(CN(C(=O)C34CC[N@@H+](C3)CCC4)C2)C1	REAL300029435412	1	54	0.0	-73.36	400.70	0.65	-72.71
CC1CC[NH+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)CC1	REAL300029435445	0	56	0.0	-82.04	425.61	2.15	-79.89
C[NH+](C)CC1(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)CC1	REAL300029435484	0	53	0.0	-81.42	411.66	1.29	-80.13
CC[N@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029435503	0	52	0.0	-83.78	403.12	0.89	-82.89
CC[N@@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029435503	1	52	0.0	-84.57	403.02	0.92	-83.65
O=C(C1=CC(=O)[N-]O1)N1CC(CO)C2(CN(C(=O)C3C[NH+]4CCC3CC4)C2)C1	REAL300029435516	0	54	0.0	-91.85	402.94	1.34	-90.51
C[NH+]1CCC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)CC1	REAL300029435563	0	53	0.0	-75.61	404.97	1.10	-74.51
CC(C)[C@H](C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO)[NH+](C)C	REAL300029435579	0	55	0.0	-68.22	406.83	1.44	-66.78
CC[NH+](CC)CC(F)C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029435632	0	55	0.0	-83.34	421.17	1.34	-82.00
C[NH+](C)C1(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)CCC1	REAL300029435650	0	53	0.0	-74.06	393.26	0.87	-73.19
CCC(C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO)[NH+](CC)CC	REAL300029435678	0	58	0.0	-74.89	422.49	1.76	-73.13
CC1CCC[N@@H+]1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029435688	0	53	0.0	-77.75	402.13	1.00	-76.75
CC1CCC[N@H+]1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029435688	1	53	0.0	-78.64	401.60	1.05	-77.59
CC(C)[N@@H+]1CCCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029435726	0	56	0.0	-69.32	414.07	1.99	-67.33
CC(C)[N@H+]1CCCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029435726	1	56	0.0	-76.69	420.37	1.66	-75.03
CC(C)[C@@H](C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO)[NH+](C)C	REAL300029435733	0	55	0.0	-70.66	401.66	1.27	-69.39
CC1CC[N@H+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)C1	REAL300029435746	0	53	0.0	-80.72	409.22	1.38	-79.34
CC1CC[N@@H+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)C1	REAL300029435746	1	53	0.0	-81.82	408.27	1.44	-80.38
CC1(C)CC[N@H+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)C1	REAL300029435750	0	56	0.0	-81.74	428.15	1.92	-79.82
CC1(C)CC[N@@H+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)C1	REAL300029435750	1	56	0.0	-81.50	428.06	1.94	-79.56
C[N@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO)CC(C)(C)C	REAL300029435751	0	58	0.0	-82.33	430.76	2.09	-80.24
C[N@@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO)CC(C)(C)C	REAL300029435751	1	58	0.0	-82.25	432.71	2.23	-80.02
CC[C@@H](C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO)[NH+](C)C	REAL300029435759	0	52	0.0	-70.15	396.24	0.81	-69.34
CC1=[NH+]C=CN1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029435864	1	48	0.0	-78.23	392.31	1.28	-76.95
CC[N@@H+]1CCOC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)C1	REAL300029435919	1	54	0.0	-95.00	415.19	0.66	-94.34
CC[N@H+]1CCOC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)C1	REAL300029435919	1	54	0.0	-78.15	415.78	0.68	-77.47
O=C(C1=CN2C=[NH+]C=C2C=C1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029435948	0	48	0.0	-73.58	389.33	2.69	-70.89
CC1=C[NH+]=CN1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029435951	1	48	0.0	-81.58	391.62	1.99	-79.59
C[C@@H]1[C@H](C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)CC[N@@H+]1C	REAL300029435957	0	53	0.0	-85.20	400.46	0.96	-84.24
C[C@@H]1[C@H](C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)CC[N@H+]1C	REAL300029435957	1	53	0.0	-82.30	404.65	1.23	-81.07
CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)CC[N@@H+]1C	REAL300029435959	0	56	0.0	-85.01	419.14	1.27	-83.74
CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)CC[N@H+]1C	REAL300029435959	1	56	0.0	-69.10	420.57	1.72	-67.38
CC1CCC(C)[NH+]1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029435966	0	56	0.0	-78.32	420.92	1.75	-76.57
O=C(CCC[NH+]1CCCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029435969	0	56	0.0	-83.01	431.15	2.11	-80.90
O=C(CC[NH+]1CCCCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029435973	0	56	0.0	-83.05	427.02	2.11	-80.94
CC[N@@H+]1CCCCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029435976	0	56	0.0	-65.89	421.60	1.86	-64.03
CC[N@H+]1CCCCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029435976	1	56	0.0	-67.11	410.86	1.47	-65.64
C[N@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO)C1CCC1	REAL300029436067	0	53	0.0	-79.77	409.02	1.67	-78.10
C[N@@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO)C1CCC1	REAL300029436067	1	53	0.0	-80.30	409.16	1.68	-78.62
C[NH+]1CCC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)CC1	REAL300029436095	0	53	0.0	-75.61	404.97	1.10	-74.51
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436123	0	50	0.0	-68.34	382.58	0.11	-68.23
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436123	1	50	0.0	-67.74	388.52	0.63	-67.11
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436140	1	52	0.0	-68.49	408.69	1.37	-67.12
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436140	1	52	0.0	-79.50	414.43	1.89	-77.61
C[N@@H+]1CCCC1CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436145	0	56	0.0	-87.14	429.93	2.18	-84.96
C[N@H+]1CCCC1CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436145	1	56	0.0	-81.42	424.50	1.73	-79.69
C[N@@H+]1CCCCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436214	0	53	0.0	-68.57	393.22	0.87	-67.70
C[N@H+]1CCCCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436214	1	53	0.0	-68.59	393.19	0.82	-67.77
CC1C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)CC[N@@H+]1C	REAL300029436269	0	53	0.0	-82.12	403.27	0.84	-81.28
CC1C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)CC[N@H+]1C	REAL300029436269	1	53	0.0	-80.19	404.95	1.06	-79.13
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436323	0	56	0.0	-79.57	423.91	1.38	-78.19
CC(C)(C)[N@H+]1CCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436323	1	56	0.0	-79.12	424.65	1.33	-77.79
C[C@@H](C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO)[NH+](C)C	REAL300029436337	0	49	0.0	-70.01	381.51	0.04	-69.97
C=CCC(C)(C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO)[NH+](C)C	REAL300029436351	0	56	0.0	-73.67	412.23	1.82	-71.85
O=C(CC[NH+]1CCCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436366	0	53	0.0	-83.10	411.35	1.40	-81.70
C[N@H+](CCO)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436375	1	50	0.0	-83.23	391.00	-2.88	-86.11
C[N@@H+](CCO)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436375	1	50	0.0	-82.84	390.75	-2.86	-85.70
C[N@H+]1CC=C(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)CC1	REAL300029436428	0	54	0.0	-72.82	422.21	1.99	-70.83
C[N@@H+]1CC=C(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)CC1	REAL300029436428	1	54	0.0	-71.76	422.19	1.97	-69.79
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436449	0	54	0.0	-78.22	403.14	-2.48	-80.70
C[N@H+]1CC(O)CC1(C)C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436449	1	54	0.0	-72.42	401.39	-2.86	-75.28
CC1C[NH+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)C1	REAL300029436477	1	50	0.0	-70.79	394.78	0.74	-70.05
CC[N@@H+]1CCCC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)C1	REAL300029436483	0	56	0.0	-67.22	416.39	1.88	-65.34
CC[N@H+]1CCCC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)C1	REAL300029436483	1	56	0.0	-66.74	416.50	1.92	-64.82
NC1=[NH+]C=CC=C1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436487	0	49	0.0	-77.06	397.15	-0.50	-77.56
O=C(C1=CC(=O)[N-]O1)N1CC(CO)C2(CN(C(=O)C3CCC[N@@H+]3C3CC3)C2)C1	REAL300029436494	0	54	0.0	-80.09	407.63	1.41	-78.68
O=C(C1=CC(=O)[N-]O1)N1CC(CO)C2(CN(C(=O)C3CCC[N@H+]3C3CC3)C2)C1	REAL300029436494	1	54	0.0	-76.43	413.59	1.94	-74.49
O=C(C=CC[NH+]1CCCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436520	0	54	0.0	-86.05	423.35	1.95	-84.10
CC[N@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436563	0	49	0.0	-82.18	380.65	0.36	-81.82
O=C(CN1CC2C=CC1C2)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436596	0	52	0.0	-68.54	401.96	1.63	-66.91
O=C(C[N@@H+]1CC2C=CC1C2)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436596	1	52	0.0	-67.39	402.08	1.51	-65.88
O=C(C[N@H+]1CC2C=CC1C2)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436596	1	52	0.0	-67.39	402.08	1.51	-65.88
CC(OCC[NH+](C)C)C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436676	0	56	0.0	-72.66	434.15	1.25	-71.41
C[NH+](C)CCOCCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436683	0	56	0.0	-82.31	439.75	0.49	-81.82
COCCN(C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436685	0	53	0.0	-82.47	413.00	-0.46	-82.93
COCC[N@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436685	1	53	0.0	-83.59	413.25	-0.48	-84.07
COCC[N@@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436685	1	53	0.0	-83.59	413.25	-0.48	-84.07
CC(CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO)[NH+](C)C	REAL300029436688	0	55	0.0	-87.24	416.25	1.42	-85.82
CC[N@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO)C1CC1	REAL300029436703	0	53	0.0	-79.89	404.37	1.56	-78.33
C[N@@H+]1CC2CC1(C(=O)N1CC3(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC3CO)C2	REAL300029436729	0	51	0.0	-68.70	390.34	0.80	-67.90
O=C(C[N@@H+]1CC2CCC1C2)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436738	0	54	0.0	-68.53	409.18	1.75	-66.78
O=C(C[N@H+]1CC2CCC1C2)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436738	1	54	0.0	-68.53	409.18	1.75	-66.78
CC(C[NH+](C)C)C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436752	0	52	0.0	-83.16	398.79	0.69	-82.47
CCN1CCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436787	0	50	0.0	-70.06	394.28	0.63	-69.43
CC[N@@H+]1CCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436787	1	50	0.0	-69.84	394.77	0.68	-69.16
CC[N@H+]1CCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436787	1	50	0.0	-69.84	394.77	0.68	-69.16
CCC(C)(C)[NH2+]C(C)C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436796	0	58	0.0	-78.08	425.96	0.06	-78.02
CCCC(C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO)[NH+](C)C	REAL300029436830	0	55	0.0	-81.12	417.03	1.59	-79.53
C[NH+](C)C(C)(C)C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436834	0	52	0.0	-87.82	385.39	0.72	-87.10
CC(CC[NH+](C)C)C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436847	0	55	0.0	-82.73	420.40	1.33	-81.40
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436901	0	56	0.0	-67.67	428.98	1.78	-65.89
C[N@H+]1CC(C)(C)CC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436901	1	56	0.0	-68.42	422.19	1.21	-67.21
C[NH+](C)CCCCCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436903	0	58	0.0	-74.16	449.92	2.58	-71.58
C[NH+]1CCN(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)CC1	REAL300029436910	1	55	0.0	-73.75	422.51	-0.89	-74.64
CC1C[N@H+](C)CC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)O1	REAL300029436960	1	54	0.0	-76.23	411.58	0.56	-75.67
CC1C[N@@H+](C)CC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)O1	REAL300029436960	1	54	0.0	-94.48	405.69	0.55	-93.93
O=C(C[NH+]1CC2CC2C1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436989	0	51	0.0	-82.59	398.38	1.57	-81.02
C[N@@H+]1CCCCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437013	0	53	0.0	-68.57	393.22	0.87	-67.70
C[N@H+]1CCCCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437013	1	53	0.0	-68.59	393.19	0.82	-67.77
C[N@@H+]1CCC(=CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)C1	REAL300029437080	0	51	0.0	-85.15	401.22	1.19	-83.96
C[N@H+]1CCC(=CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)C1	REAL300029437080	1	51	0.0	-85.29	401.23	1.20	-84.09
O=C(CNC1=CC=[NH+]C=C1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437083	0	49	0.0	-82.72	398.63	-1.04	-83.76
C[NH+](C)C1(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)CCCC1	REAL300029437137	0	56	0.0	-80.03	394.95	0.53	-79.50
CCC1C[NH+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)C1	REAL300029437146	1	53	0.0	-71.51	415.94	1.45	-70.06
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437156	0	50	0.0	-68.35	388.27	0.61	-67.74
C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437156	1	50	0.0	-80.90	381.58	0.15	-80.75
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)C1	REAL300029437246	0	53	0.0	-83.00	408.04	1.26	-81.74
C[NH+](C)CCC1(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)CC1	REAL300029437255	0	56	0.0	-91.09	434.52	2.03	-89.06
C[N@@H+]1CC=CCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437256	0	54	0.0	-65.16	409.27	1.63	-63.53
C[N@H+]1CC=CCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437256	1	54	0.0	-86.57	413.77	1.73	-84.84
C[NH+](C)CCOCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437289	0	53	0.0	-81.37	418.79	0.78	-80.59
[NH2+]=C1SC=CN1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437315	0	46	0.0	-77.54	389.99	-0.13	-77.67
C[C@@H](OCC[NH+](C)C)C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437351	0	56	0.0	-69.83	436.94	1.27	-68.56
C[N@@H+]1CCCC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)C1	REAL300029437379	0	53	0.0	-88.02	398.39	1.05	-86.97
C[N@H+]1CCCC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)C1	REAL300029437379	1	53	0.0	-88.02	398.39	1.05	-86.97
O=C(C[NH+]1CCCCCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437380	0	56	0.0	-81.39	413.99	1.75	-79.64
CN1C=C[N+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)=C1	REAL300029437383	0	48	0.0	-68.81	394.29	3.17	-65.64
O=C(CN1CCC(O)CC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437403	0	54	0.0	-86.53	415.73	-1.81	-88.34
O=C(C[NH+]1CCC(O)CC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437403	1	54	0.0	-86.53	415.73	-1.81	-88.34
C[N@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO)C1CC1	REAL300029437404	0	50	0.0	-79.77	392.34	1.10	-78.67
O=C(CC[N@@H+]1CCC(F)C1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437407	0	53	0.0	-77.21	416.98	1.45	-75.76
CC(CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO)C[NH+](C)C	REAL300029437427	0	55	0.0	-73.25	420.25	1.67	-71.58
CN1CCOCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437446	0	54	0.0	-76.42	413.68	-0.55	-76.97
C[N@@H+]1CCOCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437446	1	54	0.0	-89.76	413.19	-0.52	-90.28
C[N@H+]1CCOCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437446	1	54	0.0	-89.76	413.19	-0.52	-90.28
CC1=CC(N)=NC=C1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437485	0	49	0.0	-70.70	391.99	-1.09	-71.79
CC1=CC(N)=[NH+]C=C1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437485	1	49	0.0	-70.70	391.99	-1.09	-71.79
CC1(O)CC[N@H+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)C1	REAL300029437514	0	54	0.0	-80.91	418.83	-1.92	-82.83
C[NH+]1CC(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)C1	REAL300029437540	0	50	0.0	-83.75	394.21	0.51	-83.24
C[N@H+](CCO)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437565	0	53	0.0	-82.69	413.42	-2.32	-85.01
C[N@@H+](CCO)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437565	1	53	0.0	-82.69	413.42	-2.32	-85.01
C[N@@H+]1CCCCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437581	0	56	0.0	-85.79	421.81	1.87	-83.92
C[N@H+]1CCCCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437581	1	56	0.0	-85.79	421.81	1.87	-83.92
CC1CCN1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437594	0	50	0.0	-79.44	388.89	0.46	-78.98
CC1CC[N@@H+]1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437594	1	50	0.0	-69.47	394.22	0.77	-68.70
CC1CC[N@H+]1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437594	1	50	0.0	-69.47	394.22	0.77	-68.70
C[NH+](C)CC=CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437600	0	50	0.0	-87.30	398.74	0.87	-86.43
CC1(C)CN(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)C1	REAL300029437606	0	53	0.0	-70.37	413.83	1.20	-69.17
CC1(C)C[NH+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)C1	REAL300029437606	1	53	0.0	-70.37	413.83	1.20	-69.17
C[NH+](C)CCSCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437625	0	53	0.0	-87.93	429.81	1.63	-86.30
O=C(C[N@H+]1CCCC1CO)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437642	0	54	0.0	-81.39	417.82	-1.76	-83.15
CC[NH+](CC)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437646	0	52	0.0	-69.24	394.65	0.72	-68.52
O=C(CN1CCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437655	0	47	0.0	-71.03	373.73	0.16	-70.87
O=C(C[NH+]1CCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437655	1	47	0.0	-71.03	373.73	0.16	-70.87
CC[NH+](CC)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437685	0	55	0.0	-71.29	421.00	1.56	-69.73
CC(C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO)N1CCC1	REAL300029437741	0	50	0.0	-79.66	393.22	0.56	-79.10
CC(C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO)[NH+]1CCC1	REAL300029437741	1	50	0.0	-79.66	393.22	0.56	-79.10
CCC(CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO)C[NH+](C)C	REAL300029437746	0	58	0.0	-73.37	434.09	2.14	-71.23
C[NH+](C)CC(C)(C)C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437752	0	55	0.0	-82.52	405.87	0.88	-81.64
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437786	0	53	0.0	-78.50	400.93	1.15	-77.35
C[NH+](C)CC(O)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437808	0	53	0.0	-87.89	415.62	-1.29	-89.18
C=CCC(C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO)[NH+](C)C	REAL300029437829	0	53	0.0	-81.59	408.37	1.27	-80.32
C[NH+]1CCC(C)(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)CC1	REAL300029437841	0	56	0.0	-83.72	413.34	1.24	-82.48
C[NH+](C)CCSCC(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029437901	0	53	0.0	-83.16	431.68	1.62	-81.54
C[N@@H+]1CCCC1C(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438065	0	55	0.0	-73.80	405.59	5.55	-68.25
C[N@H+]1CCCC1C(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438065	1	55	0.0	-70.40	409.28	5.95	-64.45
C[N@@H+]1CCOC(C(=O)N2CCCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029438089	1	56	0.0	-77.86	412.87	5.17	-72.69
C[N@H+]1CCOC(C(=O)N2CCCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029438089	1	56	0.0	-77.98	410.85	5.14	-72.84
CC1=[NH+]C=CN1CC(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438229	1	53	0.0	-69.32	416.56	6.69	-62.63
C[C@@H]1[C@H](C(=O)N2CCCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029438254	0	58	0.0	-78.82	418.07	5.84	-72.98
C[C@@H]1[C@H](C(=O)N2CCCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029438254	1	58	0.0	-75.59	425.68	6.49	-69.10
C[NH+](C)C1(C(=O)N2CCCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCC1	REAL300029438283	0	58	0.0	-77.32	410.50	5.97	-71.35
CC(C)[C@@H](C(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029438285	0	60	0.0	-72.35	429.27	6.79	-65.56
C[N@H+](CC(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300029438299	0	58	0.0	-71.26	433.25	7.07	-64.19
C[N@@H+](CC(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300029438299	1	58	0.0	-71.28	433.29	7.08	-64.20
C[NH+]1CCC(C(=O)N2CCCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029438332	0	58	0.0	-79.91	427.02	6.51	-73.40
C[N@@H+]1CCCCC1C(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438343	0	58	0.0	-69.94	426.65	6.67	-63.27
C[N@H+]1CCCCC1C(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438343	1	58	0.0	-70.04	426.85	6.59	-63.45
CC1=C[NH+]=CN1CC(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438369	1	53	0.0	-71.95	415.86	7.39	-64.56
C[N@@H+]1CCC(CC(=O)N2CCCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029438379	0	58	0.0	-76.09	434.41	6.75	-69.34
C[N@H+]1CCC(CC(=O)N2CCCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029438379	1	58	0.0	-75.35	433.82	6.77	-68.58
CCC(C(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029438382	0	57	0.0	-71.37	414.14	5.96	-65.41
C[NH+](C)CCCCC(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438401	0	60	0.0	-76.27	452.60	7.30	-68.97
CC(C)C(C(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029438406	0	60	0.0	-72.34	429.95	6.78	-65.56
CCC[N@H+](C)CCC(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438407	0	60	0.0	-76.50	448.98	7.13	-69.37
CCC[N@@H+](C)CCC(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438407	1	60	0.0	-76.54	448.92	7.12	-69.42
CCC[N@H+](C)CC(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438408	0	57	0.0	-73.70	426.39	6.52	-67.18
CCC[N@@H+](C)CC(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438408	1	57	0.0	-73.56	426.39	6.52	-67.04
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438426	0	55	0.0	-73.19	405.72	5.57	-67.62
C[N@H+]1CCC[C@@H]1C(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438426	1	55	0.0	-71.10	405.30	5.71	-65.39
CC[NH+](CC)CC(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438441	0	57	0.0	-72.63	418.85	6.19	-66.44
C[NH+](C)CC1(C(=O)N2CCCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029438499	0	58	0.0	-72.56	435.73	6.71	-65.85
C[NH+]1CCC(C(=O)N2CCCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029438526	0	58	0.0	-79.91	427.02	6.51	-73.40
CC(C)[C@H](C(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029438541	0	60	0.0	-72.54	428.82	6.63	-65.91
CC[N@H+](C)CCC(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438580	0	57	0.0	-75.92	427.35	6.37	-69.55
CC[N@@H+](C)CCC(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438580	1	57	0.0	-75.67	427.39	6.38	-69.29
CC1CCC[N@@H+]1CC(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438593	0	58	0.0	-70.59	433.38	6.78	-63.81
CC1CCC[N@H+]1CC(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438593	1	58	0.0	-71.04	432.49	6.89	-64.15
CC1CC[N@H+](CC(=O)N2CCCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029438594	0	58	0.0	-73.60	432.61	6.81	-66.79
CC1CC[N@@H+](CC(=O)N2CCCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029438594	1	58	0.0	-73.05	433.27	6.85	-66.20
CC[C@@H](C(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029438597	0	57	0.0	-71.66	414.88	6.12	-65.54
C[NH+](C)CC(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438639	0	51	0.0	-74.69	387.27	5.13	-69.56
CN1C=C[N+](CC(=O)N2CCCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300029438640	0	53	0.0	-70.31	418.49	8.63	-61.68
C[N@@H+]1CCCC(C(=O)N2CCCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029438643	0	58	0.0	-75.80	428.79	6.57	-69.23
C[N@H+]1CCCC(C(=O)N2CCCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029438643	1	58	0.0	-65.91	420.95	6.63	-59.28
CC(C(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCC1	REAL300029438653	1	55	0.0	-71.83	414.01	6.00	-65.83
C[NH+](C)CC(C)(C)C(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438657	0	60	0.0	-69.77	427.22	6.37	-63.40
C[N@H+](CC(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029438664	0	55	0.0	-71.33	416.54	6.54	-64.79
C[N@@H+](CC(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029438664	1	55	0.0	-70.96	416.79	6.54	-64.42
C[NH+]1CC(CC(=O)N2CCCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029438676	0	55	0.0	-74.60	418.56	6.00	-68.60
C[C@@H](C(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029438689	0	54	0.0	-71.97	401.37	5.44	-66.53
C[N@H+](CCO)CCC(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438731	0	58	0.0	-75.38	437.78	3.17	-72.21
C[N@@H+](CCO)CCC(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438731	1	58	0.0	-74.62	437.77	3.17	-71.45
C[C@@H](C(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029438732	0	54	0.0	-71.97	401.37	5.44	-66.53
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438735	0	58	0.0	-71.96	414.47	6.10	-65.86
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438735	1	58	0.0	-70.83	426.72	6.62	-64.21
O=C(C[NH+]1CCC1)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438763	1	52	0.0	-74.49	397.63	5.58	-68.91
C[N@@H+]1CCC(=CC(=O)N2CCCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029438773	0	56	0.0	-66.43	425.23	6.68	-59.75
C[N@H+]1CCC(=CC(=O)N2CCCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029438773	1	56	0.0	-72.15	421.90	6.55	-65.60
C[NH+](C)CCOCC(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438784	0	58	0.0	-73.65	443.13	6.25	-67.40
C[C@H](C(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029438795	0	54	0.0	-72.08	402.28	5.39	-66.69
CC1C[NH+](CC(=O)N2CCCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029438813	1	55	0.0	-74.45	418.62	6.18	-68.27
C[N@H+](CCO)CC(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438826	1	55	0.0	-74.12	415.22	2.54	-71.58
C[N@@H+](CCO)CC(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438826	1	55	0.0	-74.89	415.07	2.57	-72.32
CC(CC(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300029438838	0	60	0.0	-75.61	444.45	7.17	-68.44
CC[N@H+](C)CC(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438840	0	54	0.0	-73.28	404.88	5.76	-67.52
CC[N@@H+](C)CC(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438840	1	54	0.0	-73.24	404.98	5.78	-67.46
CC[N@H+](CC(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029438853	0	58	0.0	-70.35	436.37	7.17	-63.18
CC[N@@H+](CC(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029438853	1	58	0.0	-71.63	433.72	7.15	-64.48
CC[NH+](CC)CCC(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438860	0	60	0.0	-75.46	440.85	6.82	-68.64
CC1(C)C[NH+](CC(=O)N2CCCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029438868	1	58	0.0	-74.71	438.15	6.66	-68.05
C[NH+](C)CC=CC(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438876	0	55	0.0	-73.53	418.94	6.21	-67.32
COCC[N@H+](C)CC(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438885	1	58	0.0	-74.03	437.24	4.94	-69.09
COCC[N@@H+](C)CC(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438885	1	58	0.0	-74.57	437.48	4.93	-69.64
CC(CCC(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029438897	0	60	0.0	-78.77	440.90	6.89	-71.88
CC[N@@H+]1CCC1C(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438903	1	55	0.0	-71.95	411.42	5.80	-66.15
CC[N@H+]1CCC1C(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438903	1	55	0.0	-71.59	409.09	5.67	-65.92
C=CCC(C(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029438931	0	58	0.0	-71.12	427.50	6.53	-64.59
O=C(C[NH+]1CC2CC2C1)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438939	0	56	0.0	-73.98	422.60	6.98	-67.00
CCCC(C(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029438948	0	60	0.0	-72.21	435.65	6.73	-65.48
C[NH+](C)C(C)(C)C(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438950	0	57	0.0	-77.62	406.54	5.99	-71.63
C[N@@H+]1CCCCC1C(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438962	0	58	0.0	-69.94	426.65	6.67	-63.27
C[N@H+]1CCCCC1C(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438962	1	58	0.0	-70.04	426.85	6.59	-63.45
C[NH+](C)C1(C(=O)N2CCCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029439004	0	55	0.0	-76.03	408.01	5.63	-70.40
O=C(CC[NH+]1CCCC1)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029439005	0	58	0.0	-75.36	435.59	6.90	-68.46
C[N@@H+]1CC2CC1(C(=O)N1CCCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029439018	0	56	0.0	-77.49	413.52	6.29	-71.20
C[N@H+]1CC2CC1(C(=O)N1CCCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029439018	1	56	0.0	-76.98	413.36	6.12	-70.86
CC(C[NH+](C)C)C(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029439056	0	57	0.0	-75.57	421.00	6.11	-69.46
CC(C(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CC(C)C1	REAL300029439081	0	58	0.0	-71.49	431.55	6.49	-65.00
CC1CC[N@@H+]1CC(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029439082	1	55	0.0	-72.43	418.67	6.20	-66.23
CC1CC[N@H+]1CC(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029439082	1	55	0.0	-72.40	418.48	6.18	-66.22
C[NH+](C)CC(O)CC(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029439084	0	58	0.0	-78.89	439.72	4.18	-74.71
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029439119	0	58	0.0	-75.35	434.60	6.79	-68.56
CC(CC[NH+](C)C)C(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029439121	0	60	0.0	-74.82	442.64	6.74	-68.08
NC(=[NH2+])SCC(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029439145	0	49	0.0	-76.84	395.79	2.08	-74.76
CCC1C[NH+](CC(=O)N2CCCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029439213	1	58	0.0	-75.55	439.99	6.96	-68.59
C[N@@H+]1CCC[C@H]1C(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029439217	0	55	0.0	-70.89	412.20	6.01	-64.88
C[N@H+]1CCC[C@H]1C(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029439217	1	55	0.0	-73.43	403.94	5.60	-67.83
O=C(C[NH+]1CCCCC1)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029439226	0	58	0.0	-73.61	429.10	6.99	-66.62
CC1C(C(=O)N2CCCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029439230	0	58	0.0	-72.95	429.44	6.36	-66.59
CC1C(C(=O)N2CCCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029439230	1	58	0.0	-76.96	421.86	6.55	-70.41
C[N@@H+]1CCCC1C(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029439412	0	55	0.0	-52.05	401.15	5.90	-46.15
C[N@H+]1CCCC1C(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029439412	1	55	0.0	-69.68	410.42	6.08	-63.60
C[N@@H+]1CCOC(C(=O)N2CC(C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029439438	1	56	0.0	-63.47	402.61	5.26	-58.21
C[N@H+]1CCOC(C(=O)N2CC(C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029439438	1	56	0.0	-66.27	407.08	5.26	-61.01
C[N@@H+]1CCC(CC(=O)N2CC(C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029439590	0	58	0.0	-76.71	423.45	6.74	-69.97
C[N@H+]1CCC(CC(=O)N2CC(C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029439590	1	58	0.0	-77.98	424.55	6.69	-71.29
CCC(C(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029439593	0	57	0.0	-65.70	409.35	6.20	-59.50
C[NH+](C)CCCCC(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029439608	0	60	0.0	-78.15	452.06	7.29	-70.86
CC(C)C(C(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029439614	0	60	0.0	-74.65	433.69	6.82	-67.83
CCC[N@H+](C)CCC(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029439615	0	60	0.0	-56.94	442.89	6.87	-50.07
CCC[N@@H+](C)CCC(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029439615	1	60	0.0	-56.57	442.89	6.88	-49.69
CCC[N@H+](C)CC(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029439616	0	57	0.0	-52.58	419.10	6.44	-46.14
CCC[N@@H+](C)CC(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029439616	1	57	0.0	-72.30	425.89	6.56	-65.74
C[NH+](C)CC1(C(=O)N2CC(C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029439661	0	58	0.0	-59.47	424.28	6.54	-52.93
CC[N@H+](C)CCC(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029439669	0	57	0.0	-56.57	421.39	6.13	-50.44
CC[N@@H+](C)CCC(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029439669	1	57	0.0	-73.90	417.01	6.32	-67.58
C[NH+]1CCC(C(=O)N2CC(C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029439698	0	58	0.0	-55.93	423.48	6.35	-49.58
CC(C)[C@H](C(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029439713	0	60	0.0	-50.84	420.29	6.97	-43.87
C[NH+](C)C1(C(=O)N2CC(C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCC1	REAL300029439750	0	58	0.0	-55.08	408.62	6.05	-49.03
CC1CCC[N@@H+]1CC(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029439776	0	58	0.0	-50.18	416.58	6.35	-43.83
CC1CCC[N@H+]1CC(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029439776	1	58	0.0	-49.73	415.70	6.47	-43.26
CC(C)[C@@H](C(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029439790	0	60	0.0	-54.64	421.35	6.51	-48.13
CC1CC[N@H+](CC(=O)N2CC(C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029439798	0	58	0.0	-71.45	432.81	6.86	-64.59
CC1CC[N@@H+](CC(=O)N2CC(C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029439798	1	58	0.0	-69.09	425.02	6.75	-62.34
CC[C@@H](C(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029439801	0	57	0.0	-65.91	406.30	6.19	-59.72
CC1=[NH+]C=CN1CC(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029439845	1	53	0.0	-69.15	416.05	6.75	-62.40
CC1=C[NH+]=CN1CC(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029439873	1	53	0.0	-73.51	416.41	7.49	-66.02
C[C@@H]1[C@H](C(=O)N2CC(C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029439875	0	58	0.0	-59.99	419.38	6.27	-53.72
C[C@@H]1[C@H](C(=O)N2CC(C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029439875	1	58	0.0	-74.65	420.77	6.30	-68.35
C[N@H+](CC(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300029439917	0	58	0.0	-69.77	432.76	7.12	-62.65
C[N@@H+](CC(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300029439917	1	58	0.0	-70.49	432.89	7.13	-63.36
C[NH+]1CCC(C(=O)N2CC(C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029439926	0	58	0.0	-55.93	423.48	6.35	-49.58
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029439940	0	55	0.0	-55.17	400.65	5.35	-49.82
C[N@H+]1CCC[C@@H]1C(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029439940	1	55	0.0	-51.54	400.95	5.89	-45.65
C[N@@H+]1CCCCC1C(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029439989	0	58	0.0	-50.50	405.62	6.20	-44.30
C[N@H+]1CCCCC1C(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029439989	1	58	0.0	-53.68	406.29	6.27	-47.41
CC1C(C(=O)N2CC(C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029440025	0	58	0.0	-70.14	420.80	6.63	-63.51
CC1C(C(=O)N2CC(C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029440025	1	58	0.0	-78.44	418.48	6.33	-72.11
C[C@@H](C(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029440070	0	54	0.0	-54.05	397.83	5.36	-48.69
O=C(CC[NH+]1CCCC1)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440089	0	58	0.0	-55.82	429.62	6.64	-49.18
C[N@H+](CCO)CC(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440094	1	55	0.0	-73.69	414.74	2.57	-71.12
C[N@@H+](CCO)CC(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440094	1	55	0.0	-52.22	408.20	2.42	-49.80
CC1C[NH+](CC(=O)N2CC(C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029440152	1	55	0.0	-69.69	407.31	6.17	-63.52
NC1=[NH+]C=CC=C1CC(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440158	0	54	0.0	-69.17	410.24	4.89	-64.28
CC[N@H+](C)CC(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440194	0	54	0.0	-52.88	398.82	5.56	-47.32
CC[N@@H+](C)CC(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440194	1	54	0.0	-72.09	404.38	5.82	-66.27
COCC[N@H+](C)CC(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440255	1	58	0.0	-51.77	430.44	4.83	-46.94
COCC[N@@H+](C)CC(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440255	1	58	0.0	-73.78	436.99	4.98	-68.80
CC(CCC(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029440257	0	60	0.0	-77.79	440.21	6.86	-70.93
CC[N@H+](CC(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029440263	0	58	0.0	-68.50	435.29	7.17	-61.33
CC[N@@H+](CC(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029440263	1	58	0.0	-50.67	427.60	6.92	-43.75
C[N@@H+]1CC2CC1(C(=O)N1CC(C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029440278	0	56	0.0	-74.55	408.21	6.19	-68.36
C[N@H+]1CC2CC1(C(=O)N1CC(C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029440278	1	56	0.0	-52.93	403.15	6.24	-46.69
CC(C[NH+](C)C)C(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440289	0	57	0.0	-50.90	414.02	6.11	-44.79
C[NH+](C)C1(C(=O)N2CC(C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029440295	0	55	0.0	-68.58	402.70	5.95	-62.63
C[C@H](C(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029440308	0	54	0.0	-69.04	394.93	5.54	-63.50
CC[N@@H+]1CCC1C(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440311	0	55	0.0	-52.05	404.14	5.74	-46.31
CC[N@H+]1CCC1C(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440311	1	55	0.0	-51.38	408.58	6.12	-45.26
NC1=CC=[NH+]C=C1C(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440333	0	51	0.0	-73.08	385.78	3.04	-70.04
CCCC(C(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029440338	0	60	0.0	-66.91	431.21	6.97	-59.94
C[NH+](C)C(C)(C)C(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440341	0	57	0.0	-43.12	404.06	5.98	-37.14
CC(CC[NH+](C)C)C(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440352	0	60	0.0	-82.35	439.07	6.78	-75.57
O=C(C[NH+]1CC2CC2C1)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440427	0	56	0.0	-72.14	422.12	7.02	-65.12
C[N@@H+]1CCCCC1C(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440439	0	58	0.0	-50.50	405.62	6.20	-44.30
C[N@H+]1CCCCC1C(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440439	1	58	0.0	-53.68	406.29	6.27	-47.41
C[N@@H+]1CCC(=CC(=O)N2CC(C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029440470	0	56	0.0	-80.54	416.77	6.62	-73.92
C[N@H+]1CCC(=CC(=O)N2CC(C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029440470	1	56	0.0	-78.72	425.34	6.67	-72.05
O=C(CNC1=CC=[NH+]C=C1)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440471	0	54	0.0	-74.88	422.41	4.41	-70.47
CCC1C[NH+](CC(=O)N2CC(C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029440500	0	58	0.0	-73.54	438.88	6.86	-66.68
C[N@@H+]1CCC[C@H]1C(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440505	0	55	0.0	-52.23	404.68	5.90	-46.33
C[N@H+]1CCC[C@H]1C(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440505	1	55	0.0	-50.09	400.29	5.37	-44.72
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029440555	0	58	0.0	-62.36	429.28	6.74	-55.62
C[NH+](C)CCOCC(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440575	0	58	0.0	-75.92	432.53	6.18	-69.74
O=C(C[NH+]1CCCCC1)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440619	0	58	0.0	-51.59	422.94	6.75	-44.84
C[N@@H+]1CCCC(C(=O)N2CC(C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029440620	0	58	0.0	-53.54	417.08	6.48	-47.06
C[N@H+]1CCCC(C(=O)N2CC(C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029440620	1	58	0.0	-75.73	428.70	6.54	-69.19
CN1C=C[N+](CC(=O)N2CC(C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300029440621	0	53	0.0	-54.65	411.11	8.53	-46.12
C[N@H+](CC(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029440632	0	55	0.0	-69.26	415.98	6.55	-62.71
C[N@@H+](CC(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029440632	1	55	0.0	-70.09	416.11	6.55	-63.54
CC(CC(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300029440643	0	60	0.0	-76.54	443.88	7.16	-69.38
CC1=CC(N)=[NH+]C=C1C(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440676	1	54	0.0	-74.63	414.82	4.23	-70.40
C[NH+]1CC(CC(=O)N2CC(C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029440703	0	55	0.0	-76.54	417.98	5.98	-70.56
C[NH+](C)CC(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440710	0	51	0.0	-73.07	386.70	5.14	-67.93
C[N@H+](CCO)CCC(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440720	0	58	0.0	-56.33	431.74	2.91	-53.42
C[N@@H+](CCO)CCC(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440720	1	58	0.0	-57.50	431.91	2.89	-54.61
C[C@@H](C(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029440721	0	54	0.0	-54.05	397.83	5.36	-48.69
CC(C(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CC(C)C1	REAL300029440735	0	58	0.0	-50.16	431.25	6.52	-43.64
CC1CC[N@@H+]1CC(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440736	0	55	0.0	-51.88	406.62	5.68	-46.20
CC1CC[N@H+]1CC(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440736	1	55	0.0	-52.76	412.51	6.00	-46.76
C[NH+](C)CC=CC(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440739	0	55	0.0	-63.56	418.38	6.14	-57.42
CC1(C)C[NH+](CC(=O)N2CC(C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029440743	1	58	0.0	-70.95	428.78	6.71	-64.24
CC[NH+](CC)CC(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440761	0	57	0.0	-70.23	422.47	6.48	-63.75
O=C(C[NH+]1CCC1)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440767	1	52	0.0	-69.42	387.17	5.62	-63.80
CC[NH+](CC)CCC(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440788	0	60	0.0	-74.65	444.13	7.06	-67.59
CC(C(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCC1	REAL300029440823	0	55	0.0	-52.75	403.05	5.82	-46.93
C[NH+](C)CC(C)(C)C(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440828	0	60	0.0	-56.48	419.92	6.22	-50.26
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440849	0	58	0.0	-67.23	405.08	6.35	-60.88
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440849	1	58	0.0	-49.34	418.55	6.68	-42.66
C[NH+](C)CC(O)CC(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440860	0	58	0.0	-79.83	428.94	4.15	-75.68
C=CCC(C(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029440874	0	58	0.0	-62.65	416.12	6.50	-56.15
C[N@@H+]1CCCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029441078	0	49	0.0	-71.51	368.76	2.83	-68.68
C[N@H+]1CCCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029441078	1	49	0.0	-69.32	374.63	3.24	-66.08
C[N@@H+]1CCOC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029441102	1	50	0.0	-80.13	379.77	2.58	-77.55
C[N@H+]1CCOC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029441102	1	50	0.0	-69.47	379.82	2.55	-66.92
CC(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+]1CCCCCC1	REAL300029441273	0	58	0.0	-69.36	418.77	4.70	-64.66
CC(C)[N@@H+]1CCCCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029441275	0	58	0.0	-67.40	415.99	4.84	-62.56
CC(C)[N@H+]1CCCCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029441275	1	58	0.0	-67.99	415.75	4.85	-63.14
CC(C)[N@@H+]1CCCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029441296	0	55	0.0	-68.72	407.75	4.38	-64.34
CC(C)[N@H+]1CCCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029441296	1	55	0.0	-68.21	407.81	4.43	-63.78
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1CC2CCCC[N@@H+]2C1	REAL300029441313	0	56	0.0	-70.13	416.78	5.02	-65.11
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1CC2CCCC[N@H+]2C1	REAL300029441313	1	56	0.0	-69.94	416.74	5.04	-64.90
CC(C)C1=[NH+]C=CN1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029441335	1	53	0.0	-68.29	414.52	5.02	-63.27
CC1=[NH+]C=CN1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029441369	1	47	0.0	-69.67	378.20	3.89	-65.78
CC(C[NH+]1CCOCC1)C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029441371	0	56	0.0	-74.71	420.08	3.01	-71.70
O=C(CCC[NH+]1CCCCC1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029441388	0	58	0.0	-73.16	433.82	5.49	-67.67
CC(C)(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+]1CCCCC1	REAL300029441407	0	58	0.0	-71.67	418.15	5.24	-66.43
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1C[NH+]2CCC1CC2	REAL300029441417	0	53	0.0	-75.29	390.27	4.15	-71.14
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1CCCC2CCC[N@@H+]21	REAL300029441463	0	56	0.0	-68.95	404.93	4.84	-64.11
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1CCCC2CCC[N@H+]21	REAL300029441463	1	56	0.0	-68.85	405.41	4.85	-64.00
C[C@@H]1[C@H](C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC[N@@H+]1C	REAL300029441479	0	52	0.0	-75.77	385.65	3.27	-72.50
C[C@@H]1[C@H](C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC[N@H+]1C	REAL300029441479	1	52	0.0	-74.62	391.90	3.55	-71.07
CC[C@@H]1[C@@H](C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC[N@@H+]1C	REAL300029441484	0	55	0.0	-73.62	405.60	3.98	-69.64
CC[C@@H]1[C@@H](C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC[N@H+]1C	REAL300029441484	1	55	0.0	-72.81	410.04	4.52	-68.29
CC[N@@H+]1CCOC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029441499	1	53	0.0	-77.30	397.05	3.30	-74.00
CC[N@H+]1CCOC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029441499	1	53	0.0	-77.20	397.31	3.30	-73.90
CC[NH+](CC)CC(F)C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029441545	0	54	0.0	-78.53	408.91	4.07	-74.46
CC1CCC(C)[NH+]1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029441618	0	55	0.0	-69.34	406.71	4.35	-64.99
O=C(CCC[NH+]1CCCC1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029441624	0	55	0.0	-72.99	417.86	4.76	-68.23
C[NH+](C)CC1=CC=CC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)=C1	REAL300029441625	0	55	0.0	-75.23	426.92	5.78	-69.45
C#CC[NH+]1CCC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029441630	0	54	0.0	-77.02	418.02	5.10	-71.92
O=C(CC[NH+]1CCCCC1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029441631	0	55	0.0	-73.38	412.77	4.72	-68.66
C[NH+](C)CC1=CC=CC=C1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029441634	0	55	0.0	-65.11	419.69	5.98	-59.13
CC[N@@H+]1CCCCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029441638	0	55	0.0	-69.33	399.39	4.38	-64.95
CC[N@H+]1CCCCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029441638	1	55	0.0	-68.09	408.59	4.53	-63.56
C[NH+](C)C(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1=CC=CC=C1	REAL300029441641	1	55	0.0	-71.09	423.50	5.78	-65.31
CC(C)C[N@@H+]1CCC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029441658	0	58	0.0	-72.07	433.21	5.27	-66.80
CC(C)C[N@H+]1CCC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029441658	1	58	0.0	-68.92	434.79	5.21	-63.71
C[NH+](C)C1(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CCC1	REAL300029441662	0	52	0.0	-73.19	388.30	3.97	-69.22
CC(C)[N@@H+]1CCCC1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029441664	0	58	0.0	-71.02	431.04	4.94	-66.08
CC(C)[N@H+]1CCCC1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029441664	1	58	0.0	-66.35	419.32	4.39	-61.96
CC(C)[C@@H](C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029441679	0	54	0.0	-75.78	393.95	3.85	-71.93
C[N@H+](CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1CCC1	REAL300029441728	0	52	0.0	-70.88	394.87	4.26	-66.62
C[N@@H+](CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1CCC1	REAL300029441728	1	52	0.0	-71.15	395.01	4.28	-66.87
CC(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+]1C(C)CCC1C	REAL300029441792	0	58	0.0	-68.01	410.62	4.26	-63.75
CN(CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1=CC=[NH+]C=C1	REAL300029441848	0	54	0.0	-70.19	423.51	3.96	-66.23
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029441856	1	51	0.0	-69.56	395.87	4.10	-65.46
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029441856	1	51	0.0	-69.74	401.32	4.63	-65.11
C[N@@H+]1CCCC1CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029441862	0	55	0.0	-75.00	412.93	4.74	-70.26
C[N@H+]1CCCC1CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029441862	1	55	0.0	-71.31	411.20	4.38	-66.93
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C12CCC[NH+](CCC1)C2	REAL300029441873	0	56	0.0	-72.15	406.36	4.55	-67.60
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1CCC2CCCC[N@@H+]21	REAL300029441880	0	56	0.0	-70.23	409.57	4.77	-65.46
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1CCC2CCCC[N@H+]21	REAL300029441880	1	56	0.0	-68.96	409.97	4.85	-64.11
O=C(CCCC[NH+]1CCCC1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029441900	0	58	0.0	-73.29	440.10	5.61	-67.68
C[N@H+](CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)CC1=CC=CC=C1	REAL300029441902	1	55	0.0	-77.33	425.43	5.87	-71.46
C[N@@H+](CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)CC1=CC=CC=C1	REAL300029441902	1	55	0.0	-77.30	425.43	5.87	-71.43
C[NH+]1CCC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029441913	0	52	0.0	-76.12	393.37	3.94	-72.18
C[NH+](C)CC1=CC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)=NO1	REAL300029441954	1	51	0.0	-79.84	407.98	3.31	-76.53
CC1=C(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C=CC2=C[NH+]=CN21	REAL300029441955	0	50	0.0	-71.44	393.16	6.21	-65.23
C[N@@H+]1CCCCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029441987	0	52	0.0	-69.36	381.72	3.78	-65.58
C[N@H+]1CCCCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029441987	1	52	0.0	-68.56	391.31	3.98	-64.58
CC(C)C[N@@H+]1CCCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029442010	0	58	0.0	-70.64	412.93	5.08	-65.56
CC(C)C[N@H+]1CCCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029442010	1	58	0.0	-68.49	433.64	5.56	-62.93
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1=CN2C=[NH+]C=C2C=C1	REAL300029442115	0	47	0.0	-78.19	379.80	5.85	-72.34
CC1=[NH+]C=CN1CCCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029442124	1	53	0.0	-74.96	420.61	5.25	-69.71
C[NH+](C)CC1=CC=C(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C=C1	REAL300029442129	0	55	0.0	-79.69	426.96	5.78	-73.91
O=C(CC[NH+]1CCOCC1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029442130	1	53	0.0	-76.72	404.04	2.28	-74.44
CC1=C[NH+]=CN1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029442161	1	47	0.0	-72.34	377.47	4.60	-67.74
O=C(CN1C=[NH+]C2=C1CCCC2)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029442167	1	54	0.0	-71.44	420.36	6.36	-65.08
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C12CCC[NH+]1CCC2	REAL300029442203	0	53	0.0	-70.88	393.68	4.34	-66.54
C[NH+](C)C1CCCC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029442232	0	58	0.0	-68.12	421.04	4.96	-63.16
C[N@@H+]1CCC(CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029442235	0	52	0.0	-73.13	395.86	3.91	-69.22
C[N@H+]1CCC(CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029442235	1	52	0.0	-74.89	395.24	3.89	-71.00
CN(C)C1=CC=[NH+]C=C1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029442247	0	51	0.0	-78.80	399.57	3.08	-75.72
CCC(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029442252	0	51	0.0	-75.73	382.25	3.49	-72.24
C[NH+](C)C1(CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CCCC1	REAL300029442266	0	58	0.0	-74.82	412.69	4.69	-70.13
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1=CC2=C[NH+]=CN2C=C1	REAL300029442310	1	47	0.0	-76.94	379.21	5.80	-71.14
C[NH+](C)CCCCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029442368	0	54	0.0	-79.88	415.00	4.48	-75.40
CC(C)C(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029442388	0	54	0.0	-75.25	397.43	4.03	-71.22
CCC[N@H+](C)CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029442390	0	54	0.0	-74.67	410.37	4.23	-70.44
CCC[N@@H+](C)CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029442390	1	54	0.0	-74.71	410.36	4.25	-70.46
CCC[N@H+](C)CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029442396	0	51	0.0	-73.05	388.00	3.69	-69.36
CCC[N@@H+](C)CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029442396	1	51	0.0	-73.01	388.00	3.69	-69.32
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C12CC[N@H+](C1)CCC2	REAL300029442420	0	53	0.0	-73.31	390.54	3.57	-69.74
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C12CC[N@@H+](C1)CCC2	REAL300029442420	1	53	0.0	-72.49	390.94	3.59	-68.90
C[N@@H+]1CCC[C@@H]1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029442460	0	49	0.0	-71.53	368.78	2.83	-68.70
C[N@H+]1CCC[C@@H]1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029442460	1	49	0.0	-69.38	374.28	3.45	-65.93
CCCCCC[N@H+](C)CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029442520	0	60	0.0	-74.36	452.49	6.05	-68.31
CCCCCC[N@@H+](C)CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029442520	1	60	0.0	-74.30	452.49	6.04	-68.26
CC[NH+](CC)C(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C(C)C	REAL300029442525	0	60	0.0	-69.76	429.27	5.38	-64.38
CC[NH+](CC)CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029442534	0	51	0.0	-75.79	385.73	3.70	-72.09
CCC[N@@H+]1CCCC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029442566	0	58	0.0	-65.88	426.74	5.60	-60.28
CCC[N@H+]1CCCC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029442566	1	58	0.0	-73.36	432.96	5.33	-68.03
CC(C)[N@@H+]1CCOC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029442583	1	56	0.0	-66.30	414.74	3.72	-62.58
CC(C)[N@H+]1CCOC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029442583	1	56	0.0	-78.56	420.69	3.89	-74.67
CC1CC[NH+](CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029442615	0	55	0.0	-73.28	411.72	4.77	-68.51
C[NH+]1CCC(OCC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029442643	0	56	0.0	-84.12	429.59	4.42	-79.70
C[NH+](C)CC1(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029442657	0	52	0.0	-72.83	400.80	4.13	-68.70
CC1=[NH+]C=C2CCC(C(=O)NC3CC4CN(C(=O)C5=CC(=O)[N-]O5)CC4C3)CN21	REAL300029442658	1	54	0.0	-67.19	416.43	5.03	-62.16
CC(C)[NH+]1CCC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029442733	0	58	0.0	-73.39	424.02	4.90	-68.49
C[NH+]1CCC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029442754	0	52	0.0	-76.12	393.37	3.94	-72.18
CC(C)[C@H](C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029442772	0	54	0.0	-71.03	398.30	4.48	-66.55
CCC(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](CC)CC	REAL300029442803	0	57	0.0	-71.42	412.23	4.36	-67.06
CC[N@H+](C)CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029442865	0	51	0.0	-73.91	388.87	3.50	-70.41
CC[N@@H+](C)CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029442865	1	51	0.0	-73.95	388.87	3.51	-70.44
CC1CCC[N@@H+]1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029442921	0	52	0.0	-69.03	387.65	3.72	-65.31
CC1CCC[N@H+]1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029442921	1	52	0.0	-66.27	394.90	4.08	-62.19
CC1CC[N@H+](CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029442923	0	52	0.0	-72.39	394.10	4.02	-68.37
CC1CC[N@@H+](CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029442923	1	52	0.0	-71.42	394.34	4.05	-67.37
CC1=[NH+]C=C2CC(C(=O)NC3CC4CN(C(=O)C5=CC(=O)[N-]O5)CC4C3)CCN21	REAL300029442925	1	54	0.0	-70.02	418.04	5.03	-64.99
CC1(C)CC[N@H+](CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029442928	0	55	0.0	-72.24	413.83	4.51	-67.73
CC1(C)CC[N@@H+](CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029442928	1	55	0.0	-68.49	415.14	4.53	-63.96
C[N@H+](CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)CC(C)(C)C	REAL300029442929	0	57	0.0	-72.97	416.60	4.70	-68.27
C[N@@H+](CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)CC(C)(C)C	REAL300029442929	1	57	0.0	-72.62	418.91	4.86	-67.76
CC[C@@H](C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029442938	0	51	0.0	-70.10	379.49	3.28	-66.82
C[NH+]1CCC(O)(CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029443117	0	56	0.0	-75.23	419.99	2.64	-72.59
C[NH+](C)CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443129	0	45	0.0	-77.85	349.63	2.34	-75.51
O=C(C[NH+]1CCC(CO)CC1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443133	0	56	0.0	-75.92	422.18	1.46	-74.46
O=C(C[NH+]1CCCCCC1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443135	0	55	0.0	-72.36	399.74	4.33	-68.03
CN1C=C[N+](CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)=C1	REAL300029443139	0	47	0.0	-70.64	380.00	5.80	-64.84
C[N@@H+]1CCCC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029443146	0	52	0.0	-66.67	387.68	4.21	-62.46
C[N@H+]1CCCC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029443146	1	52	0.0	-65.06	387.96	4.10	-60.96
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1CCC[N@@H+]1C1CC1	REAL300029443151	0	53	0.0	-68.18	406.07	4.80	-63.38
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1CCC[N@H+]1C1CC1	REAL300029443151	1	53	0.0	-67.85	401.34	4.65	-63.20
CC(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+]1CCC1	REAL300029443180	1	49	0.0	-75.10	377.83	3.42	-71.68
CCC(CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C[NH+](C)C	REAL300029443186	0	57	0.0	-79.26	421.15	4.81	-74.45
C[NH+](C)CC(C)(C)C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443193	0	54	0.0	-77.39	399.47	4.05	-73.34
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C12CC(C1)C[N@@H+]2C1CC1	REAL300029443211	0	54	0.0	-70.98	405.45	4.97	-66.01
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C12CC(C1)C[N@H+]2C1CC1	REAL300029443211	1	54	0.0	-67.69	407.90	5.58	-62.11
O=C(C[NH+]1CCC(O)CC1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443222	1	53	0.0	-77.31	401.60	0.80	-76.51
C[N@H+](CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1CC1	REAL300029443223	0	49	0.0	-70.67	378.18	3.70	-66.97
C[N@@H+](CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1CC1	REAL300029443223	1	49	0.0	-70.63	378.17	3.70	-66.93
CC(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)N1CC[NH+](C)CC1	REAL300029443224	1	57	0.0	-71.91	419.80	2.09	-69.82
C[NH+]1CC(CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029443243	0	49	0.0	-73.45	380.22	3.11	-70.34
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1CC[N@@H+]1C1CCCC1	REAL300029443247	0	56	0.0	-68.53	422.17	5.26	-63.27
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1CC[N@H+]1C1CCCC1	REAL300029443247	1	56	0.0	-71.14	420.02	5.17	-65.97
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443255	0	55	0.0	-68.41	410.48	4.08	-64.33
CC(C)(C)[N@H+]1CCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443255	1	55	0.0	-69.62	394.60	3.48	-66.14
C[C@@H](C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029443266	0	48	0.0	-76.06	367.74	2.74	-73.32
CCC1CCC[N@H+](CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029443308	0	58	0.0	-71.93	423.10	5.49	-66.44
CCC1CCC[N@@H+](CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029443308	1	58	0.0	-72.06	430.17	5.46	-66.60
C[NH+](C)CC1=CC=C(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)N1	REAL300029443316	0	53	0.0	-80.79	416.34	3.74	-77.05
[NH2+]=C1SC=CN1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443361	0	45	0.0	-69.19	375.84	2.47	-66.72
C[N@H+](CCO)CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443371	0	52	0.0	-73.76	399.22	0.28	-73.48
C[N@@H+](CCO)CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443371	1	52	0.0	-73.51	399.20	0.26	-73.25
C[C@@H](C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029443372	0	48	0.0	-76.06	367.74	2.74	-73.32
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443376	0	52	0.0	-70.43	381.89	3.78	-66.65
C[N@H+]1CCCC[C@@H]1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443376	1	52	0.0	-68.04	391.04	3.96	-64.08
CC1CN2CC[N@@H+]1CC2C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443385	0	55	0.0	-78.41	400.28	1.24	-77.17
CC1CN2CC[N@H+]1CC2C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443385	1	55	0.0	-75.87	400.46	1.21	-74.66
O=C(CC1=CC2=C[NH+]=CN2C=C1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443431	0	50	0.0	-71.91	403.18	6.47	-65.44
C[N@H+](CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1CCSC1	REAL300029443456	0	53	0.0	-78.28	408.26	4.52	-73.76
C[N@@H+](CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1CCSC1	REAL300029443456	1	53	0.0	-78.15	408.04	4.54	-73.61
O=C(C[NH+]1CCC1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443457	1	46	0.0	-72.35	359.53	2.83	-69.52
C[NH+](C)CC1=CC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)=CC=N1	REAL300029443487	1	54	0.0	-73.11	422.92	4.31	-68.80
C[N@@H+]1CCC(=CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029443489	0	50	0.0	-75.77	386.76	3.85	-71.92
C[N@H+]1CCC(=CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029443489	1	50	0.0	-75.11	386.86	3.93	-71.18
C[NH+](C)CCOCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443523	0	52	0.0	-76.51	405.50	3.40	-73.11
CCCCC[N@H+](C)CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443529	0	60	0.0	-75.65	453.36	5.81	-69.84
CCCCC[N@@H+](C)CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443529	1	60	0.0	-75.68	453.36	5.82	-69.86
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)O1	REAL300029443538	0	56	0.0	-72.60	427.83	4.28	-68.32
C=CCC(C)(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029443545	0	55	0.0	-66.99	404.31	4.31	-62.68
C[S+](C)CCC(O)C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443550	0	51	0.0	-85.12	414.48	1.98	-83.14
C[N@@H+]1CC(O)CC1(C)C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443577	0	53	0.0	-80.15	396.14	0.44	-79.71
CN1CC[N@H+](C)CC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029443589	0	57	0.0	-70.47	419.07	2.51	-67.96
CN1CC[N@@H+](C)CC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029443589	1	57	0.0	-70.47	419.07	2.51	-67.96
CC(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[N@@H+]1CCCC(O)C1	REAL300029443590	0	56	0.0	-70.40	417.85	1.39	-69.01
C[N@@H+]1CCCC(O)(CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029443609	0	56	0.0	-66.72	419.28	2.70	-64.02
C[N@H+]1CCCC(O)(CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029443609	1	56	0.0	-66.72	419.28	2.70	-64.02
CC1CN(CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029443612	0	49	0.0	-72.92	380.12	3.37	-69.55
CC1C[NH+](CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029443612	1	49	0.0	-72.92	380.12	3.37	-69.55
CN(CCO)CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443639	0	49	0.0	-73.55	376.85	-0.28	-73.83
C[N@H+](CCO)CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443639	1	49	0.0	-73.17	376.61	-0.26	-73.43
C[N@@H+](CCO)CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443639	1	49	0.0	-73.17	376.61	-0.26	-73.43
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1C[N@@H+]2CCN1CCC2	REAL300029443662	0	55	0.0	-78.18	395.92	2.13	-76.05
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1C[N@H+]2CCN1CCC2	REAL300029443662	1	55	0.0	-78.18	395.92	2.13	-76.05
CC[N@@H+]1CCCC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029443668	0	55	0.0	-66.72	404.75	4.76	-61.96
CC[N@H+]1CCCC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029443668	1	55	0.0	-66.72	404.75	4.76	-61.96
CC(CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C[NH+](C)C	REAL300029443670	0	54	0.0	-83.36	406.75	4.32	-79.04
CC[N@H+](C)CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443683	0	48	0.0	-72.64	366.50	2.96	-69.68
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C12CCC[N@@H+]1CCCC2	REAL300029443711	0	56	0.0	-67.89	403.96	4.88	-63.01
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C12CCC[N@H+]1CCCC2	REAL300029443711	1	56	0.0	-67.89	403.96	4.88	-63.01
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C12CCC[N@@H+]1CC=CC2	REAL300029443718	0	54	0.0	-74.94	394.73	5.13	-69.81
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C12CCC[N@H+]1CC=CC2	REAL300029443718	1	54	0.0	-74.94	394.73	5.13	-69.81
CC[N@H+](CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1CC1	REAL300029443739	0	52	0.0	-70.13	395.13	4.27	-65.86
CC[NH+](CC)CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443757	0	54	0.0	-78.62	403.24	3.98	-74.64
CC1(C)CN(CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029443782	0	52	0.0	-72.96	399.25	3.85	-69.11
CC1(C)C[NH+](CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029443782	1	52	0.0	-72.96	399.25	3.85	-69.11
CC1(O)CC[N@H+](CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029443810	0	53	0.0	-66.96	406.97	0.69	-66.27
C[NH+](C)CC=CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443817	0	49	0.0	-81.89	385.60	3.55	-78.34
CC(OCC[NH+](C)C)C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443839	0	55	0.0	-77.42	424.49	4.12	-73.30
C[NH+](C)CCOCCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443848	0	55	0.0	-77.99	426.45	3.13	-74.86
COCC[N@H+](C)CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443849	1	52	0.0	-73.04	398.89	2.12	-70.92
COCC[N@@H+](C)CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443849	1	52	0.0	-73.70	399.10	2.12	-71.58
C[NH+](C)C1(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CCCC1	REAL300029443885	0	55	0.0	-74.10	400.41	4.55	-69.55
CC(CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029443888	0	54	0.0	-77.14	406.92	4.07	-73.07
CC[N@@H+]1CCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443897	1	49	0.0	-70.24	373.18	3.24	-67.00
CC[N@H+]1CCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443897	1	49	0.0	-71.34	381.04	3.36	-67.98
CC(C)[N@@H+]1CCCC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029443907	0	58	0.0	-64.70	421.58	5.33	-59.37
CC(C)[N@H+]1CCCC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029443907	1	58	0.0	-69.77	428.06	5.13	-64.64
O=C(C[N@H+]1CCCC1CO)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443920	0	53	0.0	-72.21	403.61	0.83	-71.38
O=C(C[N@@H+]1CCCC1CO)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443920	1	53	0.0	-71.11	402.09	0.90	-70.21
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1CC2CCCC[N@@H+]2C1	REAL300029443942	0	56	0.0	-70.13	416.78	5.02	-65.11
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1CC2CCCC[N@H+]2C1	REAL300029443942	1	56	0.0	-69.94	416.74	5.04	-64.90
C[NH+]1CCC(C)(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029443948	0	55	0.0	-70.37	406.33	4.44	-65.93
C[NH+](C)CC1=CNC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)=C1	REAL300029443954	0	53	0.0	-75.56	415.49	3.67	-71.89
CC(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+]1CCC(O)CC1	REAL300029443970	0	56	0.0	-74.44	419.63	1.19	-73.25
C=CCC(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029443978	0	52	0.0	-74.36	393.35	3.85	-70.51
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443991	0	55	0.0	-71.84	409.11	4.07	-67.77
C[N@H+]1CC(C)(C)CC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443991	1	55	0.0	-70.38	409.37	3.97	-66.41
C[NH+](C)CCCCCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443995	0	57	0.0	-78.85	436.50	5.25	-73.60
O=C(C[NH+]1CC2CC2C1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444003	0	50	0.0	-72.91	384.10	4.17	-68.74
CC1C[N@@H+]2CCN1C(C(=O)NC1CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C1)C2	REAL300029444030	0	55	0.0	-76.60	402.79	1.36	-75.24
CC1C[N@H+]2CCN1C(C(=O)NC1CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C1)C2	REAL300029444030	1	55	0.0	-79.12	401.80	1.35	-77.77
CCCC(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029444031	0	54	0.0	-75.40	401.54	4.13	-71.27
C[NH+](C)C(C)(C)C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444035	0	51	0.0	-83.49	377.10	3.48	-80.01
C[N@@H+]1CCCCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444077	0	52	0.0	-69.36	381.72	3.78	-65.58
C[N@H+]1CCCCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444077	1	52	0.0	-68.56	391.31	3.98	-64.58
C[N@H+]1CC=C(CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029444117	0	53	0.0	-72.02	408.04	4.61	-67.41
C[N@@H+]1CC=C(CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029444117	1	53	0.0	-70.57	408.03	4.61	-65.96
O=C(CC1([NH+]2CCCC2)CC1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444126	0	56	0.0	-74.47	414.73	5.07	-69.40
C[NH+](C)CC1=CC=C(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)O1	REAL300029444175	1	52	0.0	-78.14	413.43	4.08	-74.06
C[NH+](C)CC1=CC=C(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C=N1	REAL300029444180	0	54	0.0	-77.53	422.70	4.30	-73.23
O=C(C=CC[NH+]1CCCC1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444192	0	53	0.0	-75.11	409.33	4.57	-70.54
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1CC[NH+](C2CC2)CC1	REAL300029444216	0	56	0.0	-73.56	418.18	5.15	-68.41
C[NH+](C)C1(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029444237	0	49	0.0	-77.03	371.74	3.99	-73.04
O=C(CC[NH+]1CCCC1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444239	0	52	0.0	-73.79	396.36	3.97	-69.82
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1C[NH+]2CCN1CC2	REAL300029444277	0	52	0.0	-76.45	385.49	0.82	-75.63
C[N@@H+]1CC2CC1(C(=O)NC1CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C1)C2	REAL300029444287	0	50	0.0	-75.02	380.81	3.48	-71.54
C[N@H+]1CC2CC1(C(=O)NC1CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C1)C2	REAL300029444287	1	50	0.0	-74.59	379.11	3.61	-70.98
O=C(C[N@@H+]1CC2CCC1C2)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444301	0	53	0.0	-69.25	393.27	4.27	-64.98
O=C(C[N@H+]1CC2CCC1C2)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444301	1	53	0.0	-63.82	394.68	4.19	-59.63
O=C(C=C1C[NH+]2CCC1CC2)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444342	0	54	0.0	-69.59	405.16	4.71	-64.88
O=C(C[N@@H+]1CC2C=CC1C2)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444352	1	51	0.0	-68.58	388.21	4.23	-64.35
O=C(C[N@H+]1CC2C=CC1C2)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444352	1	51	0.0	-69.98	388.11	4.15	-65.83
CC[NH+]1CCN(CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029444384	0	57	0.0	-70.96	426.22	2.55	-68.41
CC(C[NH+](C)C)C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444404	0	51	0.0	-73.85	387.25	3.57	-70.28
C[N@@H+]1CCCCC1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444482	0	55	0.0	-76.62	408.76	4.51	-72.11
C[N@H+]1CCCCC1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444482	1	55	0.0	-73.47	408.21	4.53	-68.94
CC1=C2C=C(C(=O)NC3CC4CN(C(=O)C5=CC(=O)[N-]O5)CC4C3)C=CN2C=[NH+]1	REAL300029444498	1	50	0.0	-82.07	401.98	6.41	-75.66
CC(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+]1CC(C)C1	REAL300029444499	1	52	0.0	-69.59	397.04	4.08	-65.51
CC1CC[N@@H+]1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444502	1	49	0.0	-72.09	375.01	3.12	-68.97
CC1CC[N@H+]1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444502	1	49	0.0	-68.14	380.92	3.35	-64.79
C[NH+](C)CC(O)CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444507	0	52	0.0	-82.61	402.34	1.33	-81.28
CC1C[N@H+](C)CC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)O1	REAL300029444535	1	53	0.0	-79.72	401.21	3.05	-76.67
CC1C[N@@H+](C)CC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)O1	REAL300029444535	1	53	0.0	-79.08	400.86	3.41	-75.67
O=C(CC[NH+]1CCC(O)CC1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444544	0	56	0.0	-77.23	423.40	1.34	-75.89
CCC[N@@H+]1CCCCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444546	0	58	0.0	-70.48	430.72	5.30	-65.18
CCC[N@H+]1CCCCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444546	1	58	0.0	-67.58	430.36	5.35	-62.23
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029444625	0	52	0.0	-73.07	398.48	4.00	-69.07
CC(CC[NH+](C)C)C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444633	0	54	0.0	-74.17	408.81	4.17	-70.00
C[N@H+](CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[C@@H]1CCC[C@H]1O	REAL300029444654	0	56	0.0	-70.28	420.23	1.72	-68.56
C[N@@H+](CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[C@@H]1CCC[C@H]1O	REAL300029444654	1	56	0.0	-70.24	420.01	1.76	-68.48
C#CC[N@H+]1CCCCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444663	1	54	0.0	-68.58	416.28	5.17	-63.41
C#CC[N@@H+]1CCCCC1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444663	1	54	0.0	-64.32	416.99	5.11	-59.21
C[NH+]1CCN(CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029444666	1	54	0.0	-72.30	408.10	1.86	-70.44
CC[NH+]1CCN(CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029444675	0	57	0.0	-70.96	426.22	2.55	-68.41
NC(=[NH2+])SCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444701	0	43	0.0	-80.26	357.56	-0.71	-80.97
CC[N@@H+]1CCOCC1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444738	0	56	0.0	-78.36	417.02	2.79	-75.57
C[NH+](C)C1CCC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029444754	0	58	0.0	-76.02	427.61	5.13	-70.89
C[NH+](C)CCC1(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029444755	0	55	0.0	-73.50	424.17	4.91	-68.59
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029444757	0	58	0.0	-69.66	421.28	5.05	-64.61
C[N@@H+]1CC=CCC1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444758	0	53	0.0	-67.76	395.41	4.36	-63.40
C[N@H+]1CC=CCC1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444758	1	53	0.0	-67.76	395.41	4.36	-63.40
C[C@@H](OCC[NH+](C)C)C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444781	0	55	0.0	-71.19	425.48	4.03	-67.16
C[NH+]1C2CCC1CC(C(=O)NC1CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C1)C2	REAL300029444809	0	56	0.0	-70.79	391.47	4.72	-66.07
CC(C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+]1CCSCC1	REAL300029444919	1	53	0.0	-73.92	407.77	4.27	-69.65
CCC1C[NH+](CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029444921	1	52	0.0	-73.75	401.51	4.13	-69.62
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1([NH+]2CCCC2)CCC1	REAL300029444923	0	56	0.0	-66.35	410.49	5.12	-61.23
C[N@@H+]1CCC[C@H]1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444932	0	49	0.0	-68.46	374.63	3.29	-65.17
C[N@H+]1CCC[C@H]1C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444932	1	49	0.0	-74.56	369.47	2.87	-71.69
O=C(CC[N@H+]1CCC(F)C1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444939	0	52	0.0	-77.09	403.16	4.17	-72.92
O=C(CC[N@@H+]1CCC(F)C1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444939	1	52	0.0	-78.13	402.90	4.04	-74.09
COC1C[N@H+](C)C(C)(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029444947	0	56	0.0	-75.75	419.49	2.83	-72.92
COC1C[N@@H+](C)C(C)(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029444947	1	56	0.0	-72.20	420.25	2.86	-69.34
O=C(CC[NH+]1CCCCCC1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444956	0	58	0.0	-75.14	422.95	4.95	-70.19
O=C(C[NH+]1CCCCC1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444958	0	52	0.0	-72.41	390.49	4.16	-68.25
CC1C(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC[N@@H+]1C	REAL300029444968	0	52	0.0	-74.21	391.31	3.78	-70.43
CC1C(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC[N@H+]1C	REAL300029444968	1	52	0.0	-71.16	391.02	3.84	-67.32
C[N@@H+]1CCCCC1CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444970	0	58	0.0	-71.72	423.79	5.02	-66.70
C[N@H+]1CCCCC1CCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444970	1	58	0.0	-75.55	423.05	5.08	-70.47
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1CC[N@@H+]2CCOCC12	REAL300029445000	0	54	0.0	-75.87	407.90	2.55	-73.32
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1CC[N@H+]2CCOCC12	REAL300029445000	1	54	0.0	-66.98	404.96	2.63	-64.35
CC1=[NH+]C=C2C=CC(C(=O)NC3CC4CN(C(=O)C5=CC(=O)[N-]O5)CC4C3)=CN21	REAL300029445005	0	50	0.0	-70.42	400.36	5.56	-64.86
C[N@@H+]1CCOCC1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029445022	1	53	0.0	-80.42	399.85	2.12	-78.30
C[N@H+]1CCOCC1CC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029445022	1	53	0.0	-69.57	392.12	2.05	-67.52
CC1=C(C)[NH+]=C(CCC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)N1	REAL300029445030	1	53	0.0	-68.07	419.01	3.58	-64.49
C[N@@H+]1CCCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029445202	0	49	0.0	-66.64	374.94	3.16	-63.48
C[N@H+]1CCCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029445202	1	49	0.0	-70.36	376.74	3.39	-66.97
C[N@@H+]1CCOC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029445228	1	50	0.0	-66.16	377.98	2.51	-63.65
C[N@H+]1CCOC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029445228	1	50	0.0	-77.57	379.44	2.56	-75.01
CC1=[NH+]C=CN1CCCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029445390	1	53	0.0	-68.03	423.31	5.38	-62.65
C[NH+](C)CC1=CC=C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C=C1	REAL300029445395	0	55	0.0	-83.48	426.66	5.48	-78.00
O=C(CC[NH+]1CCOCC1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029445396	1	53	0.0	-76.50	407.70	2.43	-74.07
O=C(NC1CC2CN(C(=O)C34CCC[NH+]3CCC4)CC2C1)C1=CC(=O)[N-]O1	REAL300029445421	0	53	0.0	-76.80	385.23	4.04	-72.76
O=C(NC1CC2CN(C(=O)C3=CC4=C[NH+]=CN4C=C3)CC2C1)C1=CC(=O)[N-]O1	REAL300029445431	1	47	0.0	-79.28	387.32	5.88	-73.40
C[NH+](C)C1CCCC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029445491	0	58	0.0	-66.24	420.87	4.88	-61.36
C[N@@H+]1CCC(CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029445494	0	52	0.0	-77.28	398.81	4.09	-73.19
C[N@H+]1CCC(CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029445494	1	52	0.0	-76.27	398.31	4.03	-72.24
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029445506	0	51	0.0	-75.15	401.53	2.39	-72.76
CCC(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029445511	0	51	0.0	-69.73	381.29	3.35	-66.38
C[NH+](C)CCCCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029445578	0	54	0.0	-76.66	417.70	4.61	-72.05
CC(C)C(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029445600	0	54	0.0	-70.01	394.98	3.95	-66.06
CCC[N@H+](C)CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029445602	0	54	0.0	-76.21	413.93	4.44	-71.77
CCC[N@@H+](C)CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029445602	1	54	0.0	-76.35	413.93	4.42	-71.93
CCC[N@H+](C)CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029445608	0	51	0.0	-73.24	391.43	3.87	-69.37
CCC[N@@H+](C)CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029445608	1	51	0.0	-70.07	391.10	3.78	-66.29
O=C(NC1CC2CN(C(=O)C34CC[N@H+](C3)CCC4)CC2C1)C1=CC(=O)[N-]O1	REAL300029445632	0	53	0.0	-80.52	385.42	3.29	-77.23
O=C(NC1CC2CN(C(=O)C34CC[N@@H+](C3)CCC4)CC2C1)C1=CC(=O)[N-]O1	REAL300029445632	1	53	0.0	-72.25	386.55	3.30	-68.95
CCCCCC[N@H+](C)CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029445668	0	60	0.0	-74.55	455.90	6.22	-68.33
CCCCCC[N@@H+](C)CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029445668	1	60	0.0	-71.34	455.59	6.12	-65.22
CC[NH+](CC)C(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)C(C)C	REAL300029445673	0	60	0.0	-68.29	430.14	5.16	-63.13
CC1CC[NH+](CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029445706	0	55	0.0	-73.69	414.92	4.94	-68.75
C[NH+]1CCC(OCC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029445734	0	56	0.0	-79.12	432.34	4.56	-74.56
O=C(NC1CC2CN(C(=O)C3CC4CCCC[N@@H+]4C3)CC2C1)C1=CC(=O)[N-]O1	REAL300029445779	0	56	0.0	-75.74	415.67	4.96	-70.78
O=C(NC1CC2CN(C(=O)C3CC4CCCC[N@H+]4C3)CC2C1)C1=CC(=O)[N-]O1	REAL300029445779	1	56	0.0	-77.26	416.48	4.94	-72.32
C[NH+](C)CC1(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029445790	0	52	0.0	-71.36	399.79	3.99	-67.37
CC1=[NH+]C=C2CCC(C(=O)N3CC4CC(NC(=O)C5=CC(=O)[N-]O5)CC4C3)CN21	REAL300029445791	1	54	0.0	-65.51	419.57	4.99	-60.52
CC(C)[NH+]1CCC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029445802	0	58	0.0	-71.74	426.61	4.94	-66.80
CC[N@H+](C)CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029445827	0	51	0.0	-75.51	392.43	3.70	-71.81
CC[N@@H+](C)CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029445827	1	51	0.0	-75.63	392.43	3.68	-71.95
CC(C)(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+]1CCCCC1	REAL300029445853	0	58	0.0	-66.46	414.09	5.15	-61.31
O=C(NC1CC2CN(C(=O)C3C[NH+]4CCC3CC4)CC2C1)C1=CC(=O)[N-]O1	REAL300029445863	0	53	0.0	-75.53	390.35	3.96	-71.57
C[NH+]1CCC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029445943	0	52	0.0	-74.18	392.29	3.76	-70.42
CC(C)[C@H](C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029445961	0	54	0.0	-73.53	397.13	4.08	-69.45
CC[NH+](CC)CC(F)C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029446056	0	54	0.0	-74.98	409.68	4.15	-70.83
CC(C)C[N@@H+]1CCC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029446091	0	58	0.0	-74.26	434.50	5.33	-68.93
CC(C)C[N@H+]1CCC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029446091	1	58	0.0	-70.63	432.49	5.23	-65.40
C[NH+](C)C1(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CCC1	REAL300029446095	0	52	0.0	-71.73	382.63	3.30	-68.43
CCC(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](CC)CC	REAL300029446126	0	57	0.0	-66.96	413.59	4.62	-62.34
CC1CCC[N@@H+]1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029446146	0	52	0.0	-68.87	397.58	4.16	-64.71
CC1CCC[N@H+]1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029446146	1	52	0.0	-70.79	397.86	4.21	-66.58
CC(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+]1CCCCCC1	REAL300029446216	0	58	0.0	-65.87	419.92	4.69	-61.18
CC(C)[N@@H+]1CCCCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029446218	0	58	0.0	-66.48	424.05	4.93	-61.55
CC(C)[N@H+]1CCCCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029446218	1	58	0.0	-63.51	422.89	4.80	-58.71
CC(C)[N@@H+]1CCCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029446239	0	55	0.0	-68.74	409.15	4.42	-64.32
CC(C)[N@H+]1CCCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029446239	1	55	0.0	-69.75	402.38	4.91	-64.84
CC(C)[N@@H+]1CCCC1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029446245	0	58	0.0	-62.72	422.57	4.63	-58.09
CC(C)[N@H+]1CCCC1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029446245	1	58	0.0	-72.26	431.66	5.12	-67.14
CC(C)[C@@H](C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029446260	0	54	0.0	-69.96	393.10	3.81	-66.15
CC1CC[N@H+](CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029446281	0	52	0.0	-70.41	397.99	4.08	-66.33
CC1CC[N@@H+](CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029446281	1	52	0.0	-67.66	397.91	4.16	-63.50
CC1=[NH+]C=C2CC(C(=O)N3CC4CC(NC(=O)C5=CC(=O)[N-]O5)CC4C3)CCN21	REAL300029446283	1	54	0.0	-72.05	416.86	4.89	-67.16
CC1(C)CC[N@H+](CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029446286	0	55	0.0	-72.73	417.56	4.70	-68.03
CC1(C)CC[N@@H+](CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029446286	1	55	0.0	-69.19	417.45	4.63	-64.56
C[N@H+](CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)CC(C)(C)C	REAL300029446287	0	57	0.0	-73.18	420.03	4.87	-68.31
C[N@@H+](CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)CC(C)(C)C	REAL300029446287	1	57	0.0	-69.62	421.65	4.94	-64.68
CC[C@@H](C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029446296	0	51	0.0	-69.33	380.24	3.36	-65.97
CN(CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)C1=CC=[NH+]C=C1	REAL300029446423	0	54	0.0	-72.50	427.06	4.15	-68.35
CC1=[NH+]C=CN1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029446507	1	47	0.0	-66.93	381.26	3.98	-62.95
CC(C[NH+]1CCOCC1)C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029446509	0	56	0.0	-68.99	419.35	3.03	-65.96
O=C(CCC[NH+]1CCCCC1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029446526	0	58	0.0	-71.12	437.84	5.72	-65.40
C[NH+](C)CC1=CC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)=NO1	REAL300029446544	1	51	0.0	-80.44	406.93	3.59	-76.85
CC1=C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C=CC2=C[NH+]=CN21	REAL300029446545	0	50	0.0	-75.17	404.42	6.08	-69.09
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029446580	1	53	0.0	-65.49	417.52	5.11	-60.38
O=C(NC1CC2CN(C(=O)C3CCCC4CCC[N@@H+]43)CC2C1)C1=CC(=O)[N-]O1	REAL300029446616	0	56	0.0	-62.57	413.08	5.02	-57.55
O=C(NC1CC2CN(C(=O)C3CCCC4CCC[N@H+]43)CC2C1)C1=CC(=O)[N-]O1	REAL300029446616	1	56	0.0	-66.22	406.09	4.58	-61.64
CC[N@@H+]1CCOC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029446638	1	53	0.0	-79.74	403.48	3.40	-76.34
CC[N@H+]1CCOC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029446638	1	53	0.0	-75.94	404.10	3.45	-72.49
O=C(NC1CC2CN(C(=O)C3=CN4C=[NH+]C=C4C=C3)CC2C1)C1=CC(=O)[N-]O1	REAL300029446691	0	47	0.0	-78.68	387.24	5.87	-72.81
CC1=C[NH+]=CN1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029446696	1	47	0.0	-69.95	381.63	4.72	-65.23
C[C@@H]1[C@H](C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC[N@@H+]1C	REAL300029446712	0	52	0.0	-72.31	387.96	3.41	-68.90
C[C@@H]1[C@H](C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC[N@H+]1C	REAL300029446712	1	52	0.0	-77.17	394.57	3.64	-73.53
CC[C@@H]1[C@@H](C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC[N@@H+]1C	REAL300029446717	0	55	0.0	-70.77	404.65	4.03	-66.74
CC[C@@H]1[C@@H](C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC[N@H+]1C	REAL300029446717	1	55	0.0	-71.74	409.78	4.28	-67.46
CC1CCC(C)[NH+]1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029446730	0	55	0.0	-67.74	409.71	4.42	-63.32
O=C(CCC[NH+]1CCCC1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029446736	0	55	0.0	-72.67	420.66	4.85	-67.82
C[NH+](C)CC1=CC=CC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)=C1	REAL300029446737	0	55	0.0	-84.14	426.66	5.46	-78.68
C#CC[NH+]1CCC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029446743	0	54	0.0	-75.29	416.96	4.91	-70.38
O=C(CC[NH+]1CCCCC1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029446744	0	55	0.0	-70.75	416.34	4.92	-65.83
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029446748	0	55	0.0	-68.00	424.27	5.47	-62.53
CC[N@@H+]1CCCCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029446752	0	55	0.0	-69.80	398.42	4.12	-65.68
CC[N@H+]1CCCCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029446752	1	55	0.0	-71.39	401.99	4.30	-67.09
C[NH+](C)C(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)C1=CC=CC=C1	REAL300029446755	1	55	0.0	-69.59	422.07	5.72	-63.87
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029446760	1	54	0.0	-71.06	423.89	6.53	-64.53
C[NH+](C)C1(CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CCCC1	REAL300029446796	0	58	0.0	-72.04	416.51	4.93	-67.11
C[N@H+](CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)C1CCC1	REAL300029446961	0	52	0.0	-67.75	397.97	4.36	-63.39
C[N@@H+](CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)C1CCC1	REAL300029446961	1	52	0.0	-68.17	398.11	4.37	-63.80
CC(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+]1C(C)CCC1C	REAL300029446986	0	58	0.0	-68.18	411.29	4.21	-63.97
O=C(CCCC[NH+]1CCCC1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029446999	0	58	0.0	-75.25	443.67	5.80	-69.45
C[N@H+](CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)CC1=CC=CC=C1	REAL300029447001	1	55	0.0	-74.08	428.53	5.97	-68.11
C[N@@H+](CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)CC1=CC=CC=C1	REAL300029447001	1	55	0.0	-77.54	428.81	6.05	-71.49
C[NH+]1CCC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029447012	0	52	0.0	-74.18	392.29	3.76	-70.42
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029447057	0	49	0.0	-71.04	370.62	3.01	-68.03
C[N@H+]1CCC[C@@H]1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029447057	1	49	0.0	-70.38	373.52	3.24	-67.14
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029447081	1	51	0.0	-65.86	397.35	4.19	-61.67
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029447081	1	51	0.0	-67.49	401.78	4.52	-62.97
C[N@@H+]1CCCC1CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029447087	0	55	0.0	-70.70	420.82	4.96	-65.74
C[N@H+]1CCCC1CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029447087	1	55	0.0	-73.24	413.83	4.44	-68.80
O=C(NC1CC2CN(C(=O)C34CCC[NH+](CCC3)C4)CC2C1)C1=CC(=O)[N-]O1	REAL300029447098	0	56	0.0	-74.43	400.13	4.06	-70.37
O=C(NC1CC2CN(C(=O)C3CCC4CCCC[N@@H+]43)CC2C1)C1=CC(=O)[N-]O1	REAL300029447105	0	56	0.0	-68.24	416.37	5.25	-62.99
O=C(NC1CC2CN(C(=O)C3CCC4CCCC[N@H+]43)CC2C1)C1=CC(=O)[N-]O1	REAL300029447105	1	56	0.0	-64.93	417.61	5.21	-59.72
CCC[N@@H+]1CCCC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029447178	0	58	0.0	-67.52	426.46	5.43	-62.09
CCC[N@H+]1CCCC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029447178	1	58	0.0	-65.06	426.44	5.42	-59.64
CC(C)[N@@H+]1CCOC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029447195	1	56	0.0	-75.17	413.02	3.69	-71.48
CC(C)[N@H+]1CCOC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029447195	1	56	0.0	-73.15	419.75	3.86	-69.29
C[N@@H+]1CCCCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029447226	0	52	0.0	-70.89	384.96	3.76	-67.13
C[N@H+]1CCCCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029447226	1	52	0.0	-66.83	393.33	3.96	-62.87
CC(C)C[N@@H+]1CCCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029447250	0	58	0.0	-70.29	436.94	5.43	-64.86
CC(C)C[N@H+]1CCCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029447250	1	58	0.0	-70.34	423.92	5.70	-64.64
O=C(C[NH+]1CCC(CO)CC1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029447265	0	56	0.0	-74.70	425.76	1.62	-73.08
CC1C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC[N@@H+]1C	REAL300029447311	0	52	0.0	-74.00	395.07	3.78	-70.22
CC1C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC[N@H+]1C	REAL300029447311	1	52	0.0	-75.36	389.62	3.46	-71.90
C[N@@H+]1CCCCC1CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029447313	0	58	0.0	-78.11	425.84	5.14	-72.97
C[N@H+]1CCCCC1CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029447313	1	58	0.0	-73.92	426.24	5.23	-68.69
NC1=[NH+]C2=C(C=C1C(=O)N1CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C1)CCC2	REAL300029447345	1	52	0.0	-65.74	405.09	3.09	-62.65
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029447409	0	55	0.0	-68.10	392.11	3.56	-64.54
CC(C)(C)[N@H+]1CCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029447409	1	55	0.0	-66.88	393.60	3.35	-63.53
C[C@@H](C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029447428	0	48	0.0	-68.71	368.02	2.69	-66.02
C[NH+](C)CC1=CC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)=CC=N1	REAL300029447442	1	54	0.0	-74.67	422.50	3.64	-71.03
C=CCC(C)(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029447446	0	55	0.0	-67.20	398.78	4.03	-63.17
O=C(CC[NH+]1CCCC1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029447471	0	52	0.0	-70.82	400.66	4.21	-66.61
C[N@H+](CCO)CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029447481	1	49	0.0	-70.82	379.95	-0.19	-71.01
C[N@@H+](CCO)CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029447481	1	49	0.0	-73.91	380.04	-0.10	-74.01
O=C(NC1CC2CN(C(=O)C3C[N@@H+]4CCN3CCC4)CC2C1)C1=CC(=O)[N-]O1	REAL300029447519	0	55	0.0	-80.92	398.23	1.56	-79.36
O=C(NC1CC2CN(C(=O)C3C[N@H+]4CCN3CCC4)CC2C1)C1=CC(=O)[N-]O1	REAL300029447519	1	55	0.0	-80.55	396.03	1.94	-78.61
CC(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+]1CCSCC1	REAL300029447541	1	53	0.0	-72.70	402.55	4.01	-68.69
C[N@H+]1CC=C(CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029447581	0	53	0.0	-72.65	410.92	4.74	-67.91
C[N@@H+]1CC=C(CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029447581	1	53	0.0	-68.87	411.61	4.84	-64.03
C[S+](C)CCC(O)C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029447596	0	51	0.0	-76.33	413.70	1.92	-74.41
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029447615	0	53	0.0	-83.00	388.48	0.07	-82.93
C[N@H+]1CC(O)CC1(C)C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029447615	1	53	0.0	-78.21	388.55	0.23	-77.98
CN1CC[N@H+](C)CC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029447628	0	57	0.0	-74.07	423.20	2.37	-71.70
CN1CC[N@@H+](C)CC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029447628	1	57	0.0	-68.28	424.67	2.07	-66.21
CC(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[N@@H+]1CCCC(O)C1	REAL300029447629	0	56	0.0	-72.69	421.22	1.25	-71.44
CC(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[N@H+]1CCCC(O)C1	REAL300029447629	1	56	0.0	-65.78	421.68	1.33	-64.45
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029447656	0	52	0.0	-67.30	413.40	3.23	-64.07
C[N@@H+]1CCCC(O)(CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029447662	0	56	0.0	-69.69	419.94	2.97	-66.72
C[N@H+]1CCCC(O)(CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029447662	1	56	0.0	-67.45	422.74	2.89	-64.56
CC1C[NH+](CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029447667	1	49	0.0	-73.59	383.64	3.55	-70.04
CC[N@@H+]1CCCC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029447674	0	55	0.0	-66.65	404.74	4.70	-61.95
CC[N@H+]1CCCC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029447674	1	55	0.0	-67.18	404.75	4.67	-62.51
NC1=[NH+]C=CC=C1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029447680	0	48	0.0	-66.83	386.11	2.20	-64.63
O=C(NC1CC2CN(C(=O)C3CCC[N@@H+]3C3CC3)CC2C1)C1=CC(=O)[N-]O1	REAL300029447693	0	53	0.0	-64.62	407.42	4.83	-59.79
O=C(NC1CC2CN(C(=O)C3CCC[N@H+]3C3CC3)CC2C1)C1=CC(=O)[N-]O1	REAL300029447693	1	53	0.0	-66.81	401.12	4.22	-62.59
O=C(C=CC[NH+]1CCCC1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029447736	0	53	0.0	-77.27	413.38	4.86	-72.41
O=C(NC1CC2CN(C(=O)C3CC[NH+](C4CC4)CC3)CC2C1)C1=CC(=O)[N-]O1	REAL300029447759	0	56	0.0	-71.56	417.13	4.96	-66.60
CC[N@H+](C)CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029447806	0	48	0.0	-69.70	369.60	3.04	-66.66
O=C(C[N@@H+]1CC2C=CC1C2)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029447866	1	51	0.0	-69.66	391.16	4.32	-65.34
O=C(C[N@H+]1CC2C=CC1C2)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029447866	1	51	0.0	-66.46	391.04	4.33	-62.13
CC1=CC=C(NCCC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)[NH+]=C1	REAL300029447888	1	54	0.0	-68.21	431.30	3.83	-64.38
O=C(NC1CC2CN(C(=O)C3C[NH+]4CCN3CC4)CC2C1)C1=CC(=O)[N-]O1	REAL300029447949	0	52	0.0	-77.01	384.32	0.54	-76.47
O=C(NC1CC2CN(C(=O)C34CCC[N@@H+]3CCCC4)CC2C1)C1=CC(=O)[N-]O1	REAL300029447994	0	56	0.0	-67.31	400.89	4.20	-63.11
O=C(NC1CC2CN(C(=O)C34CCC[N@H+]3CCCC4)CC2C1)C1=CC(=O)[N-]O1	REAL300029447994	1	56	0.0	-65.47	402.46	4.30	-61.17
O=C(NC1CC2CN(C(=O)C34CCC[N@@H+]3CC=CC4)CC2C1)C1=CC(=O)[N-]O1	REAL300029448003	0	54	0.0	-61.49	394.08	4.10	-57.39
O=C(NC1CC2CN(C(=O)C34CCC[N@H+]3CC=CC4)CC2C1)C1=CC(=O)[N-]O1	REAL300029448003	1	54	0.0	-64.69	394.11	4.20	-60.49
CC(OCC[NH+](C)C)C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029448014	0	55	0.0	-74.76	423.40	4.03	-70.73
C[NH+](C)CCOCCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029448024	0	55	0.0	-73.77	429.17	3.27	-70.50
COCC[N@H+](C)CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029448026	1	52	0.0	-73.71	402.30	2.30	-71.41
COCC[N@@H+](C)CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029448026	1	52	0.0	-70.91	402.21	2.21	-68.70
O=C(NC1CC2CN(C(=O)C3C[NH+](C4CCOC4)C3)CC2C1)C1=CC(=O)[N-]O1	REAL300029448027	0	54	0.0	-82.16	418.34	2.79	-79.37
CC(CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029448032	0	54	0.0	-73.85	409.63	4.21	-69.64
C[NH+]1CCC(=CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029448051	0	53	0.0	-74.07	404.60	4.73	-69.34
CC[N@H+](CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)C1CC1	REAL300029448059	0	52	0.0	-69.67	400.93	4.48	-65.19
CC[N@@H+](CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)C1CC1	REAL300029448059	1	52	0.0	-70.47	399.05	4.48	-65.99
CC1C[N@@H+]2CCN1C(C(=O)N1CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C1)C2	REAL300029448075	0	55	0.0	-81.79	401.00	1.13	-80.66
CC1C[N@H+]2CCN1C(C(=O)N1CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C1)C2	REAL300029448075	1	55	0.0	-72.08	393.91	3.35	-68.73
C[N@@H+]1CC2CC1(C(=O)N1CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C1)C2	REAL300029448100	0	50	0.0	-68.85	381.11	3.65	-65.20
C[N@H+]1CC2CC1(C(=O)N1CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C1)C2	REAL300029448100	1	50	0.0	-74.42	380.37	3.47	-70.95
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029448110	1	52	0.0	-71.88	416.52	3.06	-68.82
O=C(C[N@@H+]1CC2CCC1C2)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029448117	0	53	0.0	-67.94	399.83	4.53	-63.41
O=C(C[N@H+]1CC2CCC1C2)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029448117	1	53	0.0	-70.53	396.93	4.31	-66.22
CC(C[NH+](C)C)C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029448139	0	51	0.0	-75.18	386.95	3.46	-71.72
C[NH+](C)C1(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029448156	0	49	0.0	-71.17	373.27	3.04	-68.13
C[C@H](C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029448182	0	48	0.0	-72.08	368.54	2.73	-69.35
CC[N@@H+]1CCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029448191	1	49	0.0	-72.47	373.66	3.03	-69.44
CC[N@H+]1CCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029448191	1	49	0.0	-68.77	374.65	2.91	-65.86
CC(C)[N@@H+]1CCCC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029448204	0	58	0.0	-72.38	431.51	5.13	-67.25
CC(C)[N@H+]1CCCC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029448204	1	58	0.0	-72.82	431.11	5.11	-67.71
CCC(C)(C)[NH2+]C(C)C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029448219	0	57	0.0	-69.62	413.88	2.76	-66.86
C#CC[N@H+]1CCCCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029448263	1	54	0.0	-71.99	409.41	4.84	-67.15
C#CC[N@@H+]1CCCCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029448263	1	54	0.0	-67.70	409.78	4.87	-62.83
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029448264	1	51	0.0	-67.96	401.63	3.10	-64.86
NC1=CC=[NH+]C=C1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029448265	0	45	0.0	-74.95	359.77	0.29	-74.66
CCCC(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029448274	0	54	0.0	-70.20	402.91	4.21	-65.99
C[NH+](C)C(C)(C)C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029448281	0	51	0.0	-73.89	373.07	2.89	-71.00
CC(CC[NH+](C)C)C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029448300	0	54	0.0	-73.87	407.85	4.00	-69.87
O=C(NC1CC2CN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)CC2C1)C1=CC(=O)[N-]O1	REAL300029448371	0	54	0.0	-72.92	408.06	4.93	-67.99
O=C(NC1CC2CN(C(=O)C34CC(C3)C[N@H+]4C3CC3)CC2C1)C1=CC(=O)[N-]O1	REAL300029448371	1	54	0.0	-68.45	404.18	5.55	-62.90
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029448410	0	55	0.0	-70.44	410.49	4.11	-66.33
C[N@H+]1CC(C)(C)CC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029448410	1	55	0.0	-70.80	414.22	4.50	-66.30
C[NH+](C)CCCCCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029448415	0	57	0.0	-74.17	439.29	5.34	-68.83
O=C(CC[NH+]1CCC(O)CC1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029448419	0	56	0.0	-76.79	427.51	1.51	-75.28
CCC[N@@H+]1CCCCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029448423	0	58	0.0	-65.98	432.38	5.41	-60.57
CCC[N@H+]1CCCCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029448423	1	58	0.0	-70.00	431.92	5.36	-64.64
C[NH+]1CCN(CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029448433	1	54	0.0	-71.62	411.44	1.89	-69.73
CC1C[N@H+](C)CC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)O1	REAL300029448535	1	53	0.0	-86.69	401.13	3.50	-83.19
CC1C[N@@H+](C)CC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)O1	REAL300029448535	1	53	0.0	-80.32	399.94	3.31	-77.01
CCC1CCC[N@H+](CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029448568	0	58	0.0	-73.76	434.07	5.52	-68.24
CCC1CCC[N@@H+](CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029448568	1	58	0.0	-69.82	432.85	5.50	-64.32
C[NH+](C)CC1=CC=C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)N1	REAL300029448577	0	53	0.0	-84.46	413.68	4.00	-80.46
O=C(C[NH+]1CC2CC2C1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029448592	0	50	0.0	-69.76	387.33	4.26	-65.50
O=C(CC1([NH+]2CCCC2)CC1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029448605	0	56	0.0	-68.85	417.54	5.17	-63.68
C[N@@H+]1CCCCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029448644	0	52	0.0	-70.89	384.96	3.76	-67.13
C[N@H+]1CCCCC1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029448644	1	52	0.0	-66.83	393.33	3.96	-62.87
C[N@@H+]1CCC(=CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029448767	0	50	0.0	-77.72	389.37	4.01	-73.71
C[N@H+]1CCC(=CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029448767	1	50	0.0	-74.47	390.07	4.01	-70.46
O=C(CNC1=CC=[NH+]C=C1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029448772	0	48	0.0	-72.16	388.14	1.67	-70.49
CC[NH+]1CCN(CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029448829	0	57	0.0	-72.42	428.59	2.61	-69.81
O=C(C=C1C[NH+]2CCC1CC2)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029448832	0	54	0.0	-68.00	407.23	4.78	-63.22
C[NH+](C)C1(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CCCC1	REAL300029448870	0	55	0.0	-69.13	392.04	4.01	-65.12
C[N@H+](CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[C@@H]1CCC[C@H]1O	REAL300029448881	0	56	0.0	-70.16	423.24	1.69	-68.47
C[N@@H+](CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[C@@H]1CCC[C@H]1O	REAL300029448881	1	56	0.0	-66.71	422.95	1.68	-65.03
CCC1C[NH+](CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029448887	0	52	0.0	-74.54	405.00	4.32	-70.22
O=C(NC1CC2CN(C(=O)C3([NH+]4CCCC4)CCC3)CC2C1)C1=CC(=O)[N-]O1	REAL300029448891	0	56	0.0	-67.59	409.41	4.61	-62.98
C[N@@H+]1CCC[C@H]1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029448905	0	49	0.0	-67.49	375.30	3.26	-64.23
C[N@H+]1CCC[C@H]1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029448905	1	49	0.0	-69.47	371.01	2.93	-66.54
CC[N@@H+]1CCOCC1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029448936	0	56	0.0	-72.27	415.86	2.79	-69.48
NC1=NC2=CC(C(=O)N3CC4CC(NC(=O)C5=CC(=O)[N-]O5)CC4C3)=CC=C2N1	REAL300029449026	0	49	0.0	-77.89	393.04	3.31	-74.58
NC1=[NH+]C2=CC(C(=O)N3CC4CC(NC(=O)C5=CC(=O)[N-]O5)CC4C3)=CC=C2N1	REAL300029449026	1	49	0.0	-77.89	393.04	3.31	-74.58
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029449064	0	52	0.0	-73.47	402.04	4.22	-69.25
C[NH+](C)C1CCC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029449079	0	58	0.0	-66.74	420.07	4.79	-61.95
C[NH+](C)CCC1(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029449080	0	55	0.0	-68.63	421.84	4.96	-63.67
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029449082	0	58	0.0	-73.09	420.91	4.89	-68.20
C[N@@H+]1CC=CCC1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029449083	0	53	0.0	-73.37	403.48	4.60	-68.77
C[N@H+]1CC=CCC1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029449083	1	53	0.0	-73.37	403.48	4.60	-68.77
CC1=CC(C=CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)=CN=C1N	REAL300029449133	0	52	0.0	-77.27	416.24	3.42	-73.85
CC1=CC(C=CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)=C[NH+]=C1N	REAL300029449133	1	52	0.0	-77.27	416.24	3.42	-73.85
C[NH+](C)CCOCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029449146	0	52	0.0	-74.47	408.21	3.58	-70.89
CCCCC[N@H+](C)CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029449152	0	60	0.0	-77.37	456.93	5.99	-71.38
CCCCC[N@@H+](C)CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029449152	1	60	0.0	-77.37	456.93	5.99	-71.38
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)O1	REAL300029449164	0	56	0.0	-71.87	427.30	4.33	-67.54
[NH2+]=C1SC=CN1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029449189	0	45	0.0	-66.57	378.93	2.56	-64.01
C[C@@H](OCC[NH+](C)C)C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029449263	0	55	0.0	-73.58	424.57	4.07	-69.51
O=C(CC[NH+]1CCCCCC1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029449307	0	58	0.0	-74.01	426.90	5.42	-68.59
O=C(C[NH+]1CCCCC1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029449311	0	52	0.0	-69.33	393.60	4.24	-65.09
C[N@@H+]1CCCC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029449313	0	52	0.0	-67.65	386.83	3.99	-63.66
C[N@H+]1CCCC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029449313	1	52	0.0	-67.23	387.54	3.97	-63.26
O=C(C[NH+]1CCC(CO)CC1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029449314	0	56	0.0	-74.70	425.76	1.62	-73.08
O=C(C[NH+]1CCCCCC1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029449317	0	55	0.0	-68.99	402.84	4.43	-64.56
CN1C=C[N+](CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)=C1	REAL300029449322	0	47	0.0	-68.09	383.58	5.97	-62.12
C[NH+](C)CC1=CC=C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)O1	REAL300029449340	1	52	0.0	-81.51	412.30	4.16	-77.35
C[NH+](C)CC1=CC=C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C=N1	REAL300029449346	0	54	0.0	-82.59	422.62	4.06	-78.53
O=C(C[NH+]1CCC(O)CC1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029449360	1	53	0.0	-76.87	405.16	0.97	-75.90
C[N@@H+](CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)C1CC1	REAL300029449365	1	49	0.0	-70.77	381.76	3.87	-66.90
CC(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)N1CC[NH+](C)CC1	REAL300029449367	1	57	0.0	-72.67	418.72	1.90	-70.77
O=C(CC[N@@H+]1CCC(F)C1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029449370	1	52	0.0	-73.52	406.09	4.19	-69.33
COC1C[N@@H+](C)C(C)(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029449381	1	56	0.0	-76.64	410.66	2.60	-74.04
CC(CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)C[NH+](C)C	REAL300029449401	0	54	0.0	-76.21	409.36	4.49	-71.72
O=C(NC1CC2CN(C(=O)C3CC[N@@H+]4CCOCC34)CC2C1)C1=CC(=O)[N-]O1	REAL300029449417	0	54	0.0	-74.78	410.46	2.72	-72.06
O=C(NC1CC2CN(C(=O)C3CC[N@H+]4CCOCC34)CC2C1)C1=CC(=O)[N-]O1	REAL300029449417	1	54	0.0	-71.93	405.68	2.70	-69.23
CC1=[NH+]C=C2C=CC(C(=O)N3CC4CC(NC(=O)C5=CC(=O)[N-]O5)CC4C3)=CN21	REAL300029449422	0	50	0.0	-73.97	408.68	5.65	-68.32
CN1CCOCC1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029449439	0	53	0.0	-69.58	395.69	2.11	-67.47
C[N@@H+]1CCOCC1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029449439	1	53	0.0	-67.94	395.69	2.20	-65.74
C[N@H+]1CCOCC1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029449439	1	53	0.0	-69.58	395.69	2.11	-67.47
CC[NH+]1CCN(CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029449447	0	57	0.0	-72.42	428.59	2.61	-69.81
CC1=CC(N)=[NH+]C=C1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029449502	1	48	0.0	-76.83	381.52	1.69	-75.14
NC1=CC=C(CCC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C=[NH+]1	REAL300029449505	0	51	0.0	-71.80	411.44	2.93	-68.87
CC1(O)CC[N@@H+](CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029449546	1	53	0.0	-67.86	408.71	0.83	-67.03
C[NH+]1CC(CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029449581	0	49	0.0	-74.54	383.63	3.30	-71.24
O=C(NC1CC2CN(C(=O)C3CC[N@@H+]3C3CCCC3)CC2C1)C1=CC(=O)[N-]O1	REAL300029449586	0	56	0.0	-71.71	419.72	5.03	-66.68
O=C(NC1CC2CN(C(=O)C3CC[N@H+]3C3CCCC3)CC2C1)C1=CC(=O)[N-]O1	REAL300029449586	1	56	0.0	-66.65	424.21	5.21	-61.44
C[NH+](C)CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029449594	0	45	0.0	-73.84	352.34	2.45	-71.39
C[N@H+](CCO)CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029449623	0	52	0.0	-75.54	402.78	0.47	-75.07
C[N@@H+](CCO)CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029449623	1	52	0.0	-74.68	402.77	0.46	-74.22
C[C@@H](C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029449624	0	48	0.0	-68.71	368.02	2.69	-66.02
C[N@@H+]1CCCCC1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029449646	0	55	0.0	-64.71	404.04	4.57	-60.14
C[N@H+]1CCCCC1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029449646	1	55	0.0	-67.26	403.96	4.55	-62.71
CC1=C2C=C(C(=O)N3CC4CC(NC(=O)C5=CC(=O)[N-]O5)CC4C3)C=CN2C=[NH+]1	REAL300029449668	1	50	0.0	-73.96	409.49	6.37	-67.59
CC(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+]1CC(C)C1	REAL300029449669	0	52	0.0	-68.21	400.65	3.82	-64.39
CC1CCN1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029449673	0	49	0.0	-71.34	378.83	3.30	-68.04
CC1CC[N@@H+]1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029449673	1	49	0.0	-68.23	383.86	3.57	-64.66
CC1CC[N@H+]1CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029449673	1	49	0.0	-71.34	378.83	3.30	-68.04
C[NH+](C)CC=CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029449687	0	49	0.0	-78.30	388.30	3.70	-74.60
CC1(C)C[NH+](CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029449700	1	52	0.0	-71.89	403.01	4.02	-67.87
CC1=C(C)[NH+]=C(CCC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)N1	REAL300029449719	1	53	0.0	-67.24	422.66	3.72	-63.52
CC1=C2C=C(C(=O)N3CC4CC(NC(=O)C5=CC(=O)[N-]O5)CC4C3)C=CN2C=[NH+]1	REAL300029449730	1	50	0.0	-73.96	409.49	6.37	-67.59
C[NH+](C)CCSCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029449740	0	52	0.0	-79.72	419.23	4.45	-75.27
O=C(C[N@@H+]1CCCC1CO)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029449766	1	53	0.0	-68.86	404.93	0.97	-67.89
CC[NH+](CC)CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029449770	0	51	0.0	-69.80	384.16	3.48	-66.32
C[N@@H+](CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)C1CCSC1	REAL300029449781	1	53	0.0	-74.88	411.63	4.69	-70.19
O=C(C[NH+]1CCC1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029449783	1	46	0.0	-73.80	362.17	2.86	-70.94
CC[NH+](CC)CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029449834	0	54	0.0	-74.54	410.29	4.41	-70.13
C[NH+](C)CC1=CNC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)=C1	REAL300029449901	0	53	0.0	-79.24	414.13	3.94	-75.30
CC(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+]1CCC(O)CC1	REAL300029449920	0	56	0.0	-73.79	415.84	1.04	-72.75
O=C(NC1CC2CN(C(=O)C3CC4COCC[N@@H+]4C3)CC2C1)C1=CC(=O)[N-]O1	REAL300029449926	0	54	0.0	-72.76	409.63	2.64	-70.12
O=C(NC1CC2CN(C(=O)C3CC4COCC[N@H+]4C3)CC2C1)C1=CC(=O)[N-]O1	REAL300029449926	1	54	0.0	-76.07	407.24	2.66	-73.41
CC(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+]1CCC1	REAL300029449941	1	49	0.0	-70.79	381.29	3.30	-67.49
CCC(CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)C[NH+](C)C	REAL300029449948	0	57	0.0	-76.56	423.51	4.96	-71.60
NC1=CC=C(C=CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C=[NH+]1	REAL300029449955	0	49	0.0	-75.98	398.91	2.62	-73.36
C[NH+](C)CC(C)(C)C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029449956	0	54	0.0	-72.80	391.92	3.56	-69.24
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029450020	0	52	0.0	-70.57	381.57	3.57	-67.00
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029450020	1	52	0.0	-66.09	391.73	3.87	-62.22
CC1CN2CC[N@@H+]1CC2C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029450035	0	55	0.0	-77.43	401.41	1.15	-76.28
CC1CN2CC[N@H+]1CC2C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029450035	1	55	0.0	-75.90	401.78	1.15	-74.75
C[NH+](C)CC(O)CC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029450056	0	52	0.0	-79.19	404.95	1.53	-77.66
C[NH+]1C2CCC1CC(C(=O)N1CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C1)C2	REAL300029450059	0	56	0.0	-71.94	407.84	4.35	-67.59
C=CCC(C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029450092	0	52	0.0	-72.92	396.23	4.02	-68.90
O=C(NC1CC2CN(C(=O)C3CC4CCCC[N@@H+]4C3)CC2C1)C1=CC(=O)[N-]O1	REAL300029450102	0	56	0.0	-75.74	415.67	4.96	-70.78
O=C(NC1CC2CN(C(=O)C3CC4CCCC[N@H+]4C3)CC2C1)C1=CC(=O)[N-]O1	REAL300029450102	1	56	0.0	-77.26	416.48	4.94	-72.32
C[NH+]1CCC(C)(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029450113	0	55	0.0	-66.65	400.54	3.94	-62.71
C[NH+]1CCC(O)(CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029450115	0	56	0.0	-76.50	423.10	2.84	-73.66
CC1=C2C=C(C(=O)NC3CC4CN(C(=O)C5=CC(=O)[N-]O5)CC4C3)C=CN2C=[NH+]1	REAL300029450197	1	50	0.0	-82.07	401.98	6.41	-75.66
C[NH+](C)CCSCC(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029450206	0	52	0.0	-83.38	416.53	4.27	-79.11
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1CC2COCC[N@@H+]2C1	REAL300029450214	0	54	0.0	-71.40	407.42	2.72	-68.68
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1CC2COCC[N@H+]2C1	REAL300029450214	1	54	0.0	-73.16	407.69	2.68	-70.48
C[N@@H+]1CCCC1C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029450378	0	52	0.0	-63.45	373.03	4.49	-58.96
C[N@H+]1CCCC1C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029450378	1	52	0.0	-73.90	381.81	4.53	-69.37
C[N@@H+]1CCOC(C(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029450402	1	53	0.0	-65.68	386.01	4.04	-61.64
C[N@H+]1CCOC(C(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029450402	1	53	0.0	-80.59	384.87	3.93	-76.66
CC(C)[N@@H+]1CCCC1C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029450558	0	58	0.0	-67.20	419.51	6.08	-61.12
CC(C)[N@H+]1CCCC1C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029450558	1	58	0.0	-66.21	414.77	6.06	-60.15
CC1=[NH+]C=CN1CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029450591	1	50	0.0	-69.31	391.03	5.59	-63.72
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCCN(C(=O)C1C[NH+]3CCC1CC3)C2	REAL300029450619	0	56	0.0	-83.01	398.24	5.54	-77.47
C[C@@H]1[C@H](C(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029450653	0	55	0.0	-70.23	390.86	4.88	-65.35
C[C@@H]1[C@H](C(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029450653	1	55	0.0	-80.02	399.59	5.35	-74.67
CC[C@@H]1[C@@H](C(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029450655	0	58	0.0	-77.47	418.94	5.58	-71.89
CC[C@@H]1[C@@H](C(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029450655	1	58	0.0	-75.71	427.22	6.26	-69.45
CC[N@@H+]1CCOC(C(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029450662	1	56	0.0	-76.90	406.34	4.69	-72.21
CC[N@H+]1CCOC(C(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029450662	1	56	0.0	-88.69	414.67	4.90	-83.79
CC[NH+](CC)CC(F)C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029450690	0	57	0.0	-78.62	417.91	5.62	-73.00
CC1CCC(C)[NH+]1CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029450726	0	58	0.0	-67.21	411.34	5.83	-61.38
O=C(CCC[NH+]1CCCC1)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029450729	0	58	0.0	-75.24	430.86	6.47	-68.77
O=C(CC[NH+]1CCCCC1)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029450732	0	58	0.0	-70.96	423.88	6.68	-64.28
CC[N@@H+]1CCCCC1C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029450735	0	58	0.0	-68.62	416.64	6.07	-62.55
CC[N@H+]1CCCCC1C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029450735	1	58	0.0	-68.37	407.12	5.64	-62.73
C[NH+](C)C1(C(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCC1	REAL300029450746	0	55	0.0	-76.15	388.66	4.70	-71.45
CC(C)[C@@H](C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029450753	0	57	0.0	-67.55	403.66	5.52	-62.03
C[N@H+](CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300029450778	0	55	0.0	-67.53	407.33	5.84	-61.69
C[N@@H+](CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300029450778	1	55	0.0	-67.00	407.23	5.83	-61.17
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029450854	1	54	0.0	-71.26	407.23	5.76	-65.50
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029450854	1	54	0.0	-65.90	411.63	6.52	-59.38
C[N@@H+]1CCCC1CCC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029450859	0	58	0.0	-80.79	426.27	6.73	-74.06
C[N@H+]1CCCC1CCC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029450859	1	58	0.0	-64.95	421.71	6.44	-58.51
C[NH+]1CCC(C(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029450879	0	55	0.0	-80.27	404.68	5.40	-74.87
C[N@@H+]1CCCCC1C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029450918	0	55	0.0	-72.83	388.53	5.10	-67.73
C[N@H+]1CCCCC1C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029450918	1	55	0.0	-62.11	397.67	5.59	-56.52
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCCN(C(=O)C1=CN3C=[NH+]C=C3C=C1)C2	REAL300029450988	0	50	0.0	-82.56	396.31	7.22	-75.34
O=C(CC[NH+]1CCOCC1)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029450995	1	56	0.0	-74.78	415.12	4.25	-70.53
CC1=C[NH+]=CN1CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029451008	1	50	0.0	-65.79	390.92	6.20	-59.59
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCCN(C(=O)C13CCC[NH+]1CCC3)C2	REAL300029451029	0	56	0.0	-45.73	373.59	5.48	-40.25
C[N@@H+]1CCC(CC(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029451040	0	55	0.0	-76.92	409.40	5.63	-71.29
C[N@H+]1CCC(CC(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029451040	1	55	0.0	-69.77	406.07	5.81	-63.96
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029451046	0	54	0.0	-85.86	404.98	3.86	-82.00
CCC(C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029451048	0	54	0.0	-64.37	386.50	5.02	-59.35
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCCN(C(=O)C1=CC3=C[NH+]=CN3C=C1)C2	REAL300029451075	1	50	0.0	-83.15	396.41	7.30	-75.85
C[NH+](C)CCCCC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029451107	0	57	0.0	-78.96	427.99	6.18	-72.78
CC(C)C(C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029451121	0	57	0.0	-64.01	399.30	5.57	-58.44
CCC[N@H+](C)CCC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029451122	0	57	0.0	-72.15	421.47	6.21	-65.94
CCC[N@@H+](C)CCC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029451122	1	57	0.0	-72.07	421.48	6.21	-65.86
CCC[N@H+](C)CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029451126	0	54	0.0	-69.38	400.35	5.26	-64.12
CCC[N@@H+](C)CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029451126	1	54	0.0	-69.31	400.34	5.27	-64.04
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCCN(C(=O)C13CC[N@H+](C1)CCC3)C2	REAL300029451141	0	56	0.0	-69.31	391.50	4.97	-64.34
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCCN(C(=O)C13CC[N@@H+](C1)CCC3)C2	REAL300029451141	1	56	0.0	-78.34	388.00	4.90	-73.44
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029451167	0	52	0.0	-73.17	375.61	4.64	-68.53
C[N@H+]1CCC[C@@H]1C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029451167	1	52	0.0	-72.53	383.07	4.98	-67.55
CC[NH+](CC)CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029451202	0	54	0.0	-67.53	392.76	4.92	-62.61
CC1CC[NH+](CC(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029451263	0	58	0.0	-75.14	425.12	6.48	-68.66
C[NH+](C)CC1(C(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029451285	0	55	0.0	-73.81	398.46	5.41	-68.40
C[NH+]1CCC(C(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029451338	0	55	0.0	-80.27	404.68	5.40	-74.87
CC(C)[C@H](C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029451354	0	57	0.0	-73.74	403.02	5.97	-67.77
CCC(C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](CC)CC	REAL300029451382	0	60	0.0	-64.47	416.61	5.98	-58.49
CC[N@H+](C)CCC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029451423	0	54	0.0	-71.29	399.98	5.46	-65.83
CC[N@@H+](C)CCC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029451423	1	54	0.0	-71.24	399.97	5.46	-65.78
CC1CCC[N@@H+]1CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029451453	0	55	0.0	-73.45	397.57	5.54	-67.91
CC1CCC[N@H+]1CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029451453	1	55	0.0	-67.75	397.35	5.31	-62.44
CC1CC[N@H+](CC(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029451455	0	55	0.0	-65.76	405.19	6.06	-59.70
CC1CC[N@@H+](CC(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029451455	1	55	0.0	-69.22	405.74	5.90	-63.32
CC1(C)CC[N@H+](CC(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029451459	0	58	0.0	-69.87	424.77	6.42	-63.45
CC1(C)CC[N@@H+](CC(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029451459	1	58	0.0	-76.18	424.02	6.43	-69.75
C[N@H+](CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC(C)(C)C	REAL300029451460	0	60	0.0	-70.38	428.95	6.25	-64.13
C[N@@H+](CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC(C)(C)C	REAL300029451460	1	60	0.0	-69.31	430.89	6.39	-62.92
CC[C@@H](C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029451468	0	54	0.0	-68.30	392.00	4.95	-63.35
C[NH+](C)CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029451572	0	48	0.0	-69.45	361.18	3.85	-65.60
O=C(C[NH+]1CCCCCC1)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029451576	0	58	0.0	-73.12	413.76	6.04	-67.08
CN1C=C[N+](CC(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300029451579	0	50	0.0	-70.30	393.86	7.51	-62.79
C[N@@H+]1CCCC(C(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029451584	0	55	0.0	-78.41	394.17	5.68	-72.73
C[N@H+]1CCCC(C(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029451584	1	55	0.0	-65.42	393.75	5.68	-59.74
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCCN(C(=O)C1CCC[N@@H+]1C1CC1)C2	REAL300029451589	0	56	0.0	-72.13	401.84	5.41	-66.72
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCCN(C(=O)C1CCC[N@H+]1C1CC1)C2	REAL300029451589	1	56	0.0	-66.88	409.40	6.05	-60.83
CC(C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCC1	REAL300029451605	1	52	0.0	-50.17	366.00	4.43	-45.74
CCC(CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300029451609	0	60	0.0	-80.01	434.70	6.86	-73.15
C[NH+](C)CC(C)(C)C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029451614	0	57	0.0	-69.41	398.80	5.23	-64.18
O=C(C[NH+]1CCC(O)CC1)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029451629	1	56	0.0	-75.57	412.71	2.71	-72.86
C[N@H+](CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029451630	0	52	0.0	-66.36	389.13	5.60	-60.76
C[N@@H+](CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029451630	1	52	0.0	-68.16	389.27	5.60	-62.56
C[NH+]1CC(CC(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029451646	0	52	0.0	-71.97	391.16	5.06	-66.91
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029451657	0	58	0.0	-71.40	399.61	5.21	-66.19
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029451657	1	58	0.0	-66.97	396.38	4.90	-62.07
C[C@@H](C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029451668	0	51	0.0	-67.49	376.39	4.18	-63.31
[NH2+]=C1SC=CN1CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029451727	0	48	0.0	-63.60	388.17	4.03	-59.57
C[N@H+](CCO)CCC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029451734	0	55	0.0	-69.96	410.33	2.24	-67.72
C[N@@H+](CCO)CCC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029451734	1	55	0.0	-70.86	410.26	2.22	-68.64
C[C@@H](C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029451735	0	51	0.0	-67.49	376.39	4.18	-63.31
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029451739	0	55	0.0	-73.53	388.80	5.21	-68.32
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029451739	1	55	0.0	-41.72	391.18	5.30	-36.42
O=C(C[NH+]1CCC1)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029451789	1	49	0.0	-70.60	371.38	4.32	-66.28
C[N@@H+]1CCC(=CC(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029451808	0	53	0.0	-77.73	399.95	5.56	-72.17
C[N@H+]1CCC(=CC(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029451808	1	53	0.0	-74.39	398.39	5.65	-68.74
C[NH+](C)CCOCC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029451831	0	55	0.0	-73.01	417.05	4.97	-68.04
C=CCC(C)(C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029451845	0	58	0.0	-64.85	405.59	5.43	-59.42
C[S+](C)CCC(O)C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029451849	0	54	0.0	-86.95	420.19	3.29	-83.66
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029451868	0	56	0.0	-84.40	395.67	1.76	-82.64
CC1CN(CC(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029451887	0	52	0.0	-70.69	392.45	4.95	-65.74
CC1C[NH+](CC(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029451887	1	52	0.0	-70.69	392.45	4.95	-65.74
CN(CCO)CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029451905	0	52	0.0	-69.89	389.20	1.29	-68.60
C[N@H+](CCO)CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029451905	1	52	0.0	-71.74	388.99	1.27	-70.47
C[N@@H+](CCO)CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029451905	1	52	0.0	-71.74	388.99	1.27	-70.47
CC[N@@H+]1CCCC(C(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029451925	0	58	0.0	-72.10	422.40	6.03	-66.07
CC[N@H+]1CCCC(C(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029451925	1	58	0.0	-72.10	422.40	6.03	-66.07
CC(CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300029451927	0	57	0.0	-75.36	418.37	5.90	-69.46
CC[N@H+](C)CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029451932	0	51	0.0	-69.19	378.84	4.53	-64.66
CC[N@H+](CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029451965	0	55	0.0	-71.78	409.07	6.00	-65.78
CC[NH+](CC)CCC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029451975	0	57	0.0	-74.02	414.78	5.53	-68.49
CC1(C)CN(CC(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029451993	0	55	0.0	-70.76	411.54	5.42	-65.34
CC1(C)C[NH+](CC(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029451993	1	55	0.0	-70.76	411.54	5.42	-65.34
CC1(O)CC[N@H+](CC(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029452011	0	56	0.0	-74.47	419.03	2.42	-72.05
C[NH+](C)CC=CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452015	0	52	0.0	-73.98	395.20	5.42	-68.56
CC(OCC[NH+](C)C)C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452024	0	58	0.0	-61.01	430.69	5.63	-55.38
C[NH+](C)CCOCCC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452030	0	58	0.0	-77.19	439.44	4.85	-72.34
COCCN(C)CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452031	0	55	0.0	-71.80	411.24	3.68	-68.12
COCC[N@H+](C)CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452031	1	55	0.0	-70.40	411.45	3.69	-66.71
COCC[N@@H+](C)CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452031	1	55	0.0	-70.40	411.45	3.69	-66.71
C[NH+](C)C1(C(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCCC1	REAL300029452051	0	58	0.0	-66.75	398.29	5.94	-60.81
CC(CCC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029452053	0	57	0.0	-79.04	414.83	5.62	-73.42
CCN1CCC1C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452059	0	52	0.0	-68.30	382.87	4.66	-63.64
CC[N@@H+]1CCC1C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452059	1	52	0.0	-75.62	388.77	5.09	-70.53
CC[N@H+]1CCC1C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452059	1	52	0.0	-75.62	388.77	5.09	-70.53
O=C(C[N@H+]1CCCC1CO)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452072	0	56	0.0	-64.18	409.44	2.42	-61.76
C[NH+]1CCC(C)(C(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029452094	0	58	0.0	-76.36	407.00	5.45	-70.91
C=CCC(C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029452113	0	55	0.0	-68.32	399.98	5.28	-63.04
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452120	0	58	0.0	-67.55	419.03	5.42	-62.13
C[NH+](C)CCCCCC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452122	0	60	0.0	-78.14	449.49	6.96	-71.18
CCCC(C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029452143	0	57	0.0	-63.75	407.21	5.78	-57.97
C[NH+](C)C(C)(C)C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452146	0	54	0.0	-76.12	377.98	4.62	-71.50
C[N@@H+]1CCCCC1C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452172	0	55	0.0	-62.11	397.67	5.59	-56.52
C[N@H+]1CC=C(CC(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029452196	0	56	0.0	-51.64	418.95	6.75	-44.89
C[N@@H+]1CC=C(CC(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029452196	1	56	0.0	-51.64	418.95	6.75	-44.89
O=C(C=CC[NH+]1CCCC1)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452236	0	56	0.0	-79.15	421.66	6.29	-72.86
O=C(CC[NH+]1CCCC1)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452269	0	55	0.0	-71.22	408.21	5.97	-65.25
C[N@@H+]1CC2CC1(C(=O)N1CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029452298	0	53	0.0	-75.95	386.63	5.12	-70.83
O=C(C[N@@H+]1CC2CCC1C2)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452305	0	56	0.0	-74.27	403.10	6.07	-68.20
O=C(C[N@H+]1CC2CCC1C2)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452305	1	56	0.0	-74.27	403.10	6.07	-68.20
O=C(CN1CC2C=CC1C2)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452345	0	54	0.0	-69.13	401.37	5.88	-63.25
O=C(C[N@@H+]1CC2C=CC1C2)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452345	1	54	0.0	-69.18	401.61	5.84	-63.34
O=C(C[N@H+]1CC2C=CC1C2)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452345	1	54	0.0	-69.18	401.61	5.84	-63.34
CC(C[NH+](C)C)C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452377	0	54	0.0	-84.22	400.68	5.18	-79.04
C[N@@H+]1CCCCC1CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452427	0	58	0.0	-76.79	420.65	6.09	-70.70
C[N@H+]1CCCCC1CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452427	1	58	0.0	-76.79	420.65	6.09	-70.70
CC(C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)N1CC(C)C1	REAL300029452437	0	55	0.0	-42.48	394.26	5.85	-36.63
CC(C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CC(C)C1	REAL300029452437	1	55	0.0	-42.48	394.26	5.85	-36.63
CC1CCN1CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452439	0	52	0.0	-71.09	388.90	4.88	-66.21
CC1CC[N@@H+]1CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452439	1	52	0.0	-74.50	384.65	4.99	-69.51
CC1CC[N@H+]1CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452439	1	52	0.0	-74.50	384.65	4.99	-69.51
C[NH+](C)CC(O)CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452442	0	55	0.0	-81.10	415.34	2.99	-78.11
CC1CN(C)CC(C(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029452462	0	56	0.0	-94.56	405.64	4.39	-90.17
CC1C[N@H+](C)CC(C(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029452462	1	56	0.0	-81.14	405.72	4.94	-76.20
CC1C[N@@H+](C)CC(C(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029452462	1	56	0.0	-81.14	405.72	4.94	-76.20
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029452509	0	55	0.0	-76.06	411.48	5.73	-70.33
CC(CC[NH+](C)C)C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452515	0	57	0.0	-85.57	422.32	5.82	-79.75
CN1CCN(CC(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029452534	0	57	0.0	-68.26	420.17	3.34	-64.92
C[NH+]1CCN(CC(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029452534	1	57	0.0	-68.26	420.17	3.34	-64.92
NC(=[NH2+])SCC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452558	0	46	0.0	-76.42	369.10	0.87	-75.55
C[NH+](C)CCC1(C(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029452587	0	58	0.0	-84.11	428.49	6.10	-78.01
C[N@@H+]1CC=CCC1CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452588	0	56	0.0	-73.94	411.31	6.10	-67.84
C[N@H+]1CC=CCC1CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452588	1	56	0.0	-73.94	411.31	6.10	-67.84
C[C@@H](OCC[NH+](C)C)C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452601	0	58	0.0	-73.85	422.02	5.44	-68.41
CCC1C[NH+](CC(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029452687	1	55	0.0	-72.14	413.82	5.70	-66.44
C[N@H+]1CCC[C@H]1C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452692	1	52	0.0	-73.88	381.81	4.53	-69.35
O=C(CC[N@@H+]1CCC(F)C1)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452698	1	55	0.0	-83.16	413.35	6.02	-77.14
O=C(C[NH+]1CCCCC1)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452711	0	55	0.0	-71.00	402.85	5.71	-65.29
CC1C(C(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029452717	0	55	0.0	-65.67	398.32	5.58	-60.09
CC1C(C(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029452717	1	55	0.0	-70.40	402.04	5.00	-65.40
CN1CCOCC1CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452746	0	56	0.0	-77.24	410.75	3.85	-73.39
C[N@@H+]1CCOCC1CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452746	1	56	0.0	-76.07	410.35	4.04	-72.03
C[N@H+]1CCOCC1CC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452746	1	56	0.0	-77.24	410.75	3.85	-73.39
C[N@@H+]1CCCC1C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029452917	0	52	0.0	-58.68	377.70	4.70	-53.98
C[N@H+]1CCCC1C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029452917	1	52	0.0	-75.63	376.50	4.65	-70.98
C[N@@H+]1CCOC(C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029452943	1	53	0.0	-57.45	387.02	4.19	-53.26
C[N@H+]1CCOC(C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029452943	1	53	0.0	-62.68	385.82	4.35	-58.33
O=C(CC[NH+]1CCOCC1)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029453096	1	56	0.0	-62.77	415.09	3.89	-58.88
O=C(C1=CC(=O)[N-]O1)N1CCCCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1	REAL300029453108	0	56	0.0	-79.35	392.66	5.80	-73.55
O=C(C1=CC2=C[NH+]=CN2C=C1)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029453114	1	50	0.0	-67.29	383.86	7.05	-60.24
C[N@@H+]1CCC(CC(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029453145	0	55	0.0	-65.76	406.32	5.47	-60.29
C[N@H+]1CCC(CC(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029453145	1	55	0.0	-79.18	403.96	5.77	-73.41
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029453151	0	54	0.0	-64.28	408.43	4.04	-60.24
CCC(C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029453153	0	54	0.0	-56.92	392.88	5.07	-51.85
C[NH+](C)CCCCC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029453191	0	57	0.0	-68.32	424.36	6.18	-62.14
CC(C)C(C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029453207	0	57	0.0	-62.78	402.93	5.11	-57.67
CCC[N@H+](C)CCC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029453208	0	57	0.0	-61.68	421.41	5.84	-55.84
CCC[N@@H+](C)CCC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029453208	1	57	0.0	-61.26	421.42	5.84	-55.42
CCC[N@H+](C)CC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029453212	0	54	0.0	-58.81	399.10	5.31	-53.50
CCC[N@@H+](C)CC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029453212	1	54	0.0	-58.92	399.05	5.30	-53.62
O=C(C1=CC(=O)[N-]O1)N1CCCCC2(CN(C(=O)C34CC[N@H+](C3)CCC4)C2)C1	REAL300029453227	0	56	0.0	-61.42	396.75	4.81	-56.61
O=C(C1=CC(=O)[N-]O1)N1CCCCC2(CN(C(=O)C34CC[N@@H+](C3)CCC4)C2)C1	REAL300029453227	1	56	0.0	-63.81	391.06	4.93	-58.88
CC1CC[NH+](CC(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029453260	0	58	0.0	-62.26	420.78	6.49	-55.77
C[NH+](C)CC1(C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029453301	0	55	0.0	-54.36	408.80	6.33	-48.03
CC[N@H+](C)CCC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029453320	0	54	0.0	-61.18	399.91	5.10	-56.08
CC[N@@H+](C)CCC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029453320	1	54	0.0	-65.23	398.99	5.26	-59.97
O=C(C1=CC(=O)[N-]O1)N1CCCCC2(CN(C(=O)C3C[NH+]4CCC3CC4)C2)C1	REAL300029453338	0	56	0.0	-58.77	398.90	5.75	-53.02
C[NH+]1CCC(C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029453387	0	55	0.0	-60.26	397.66	5.31	-54.95
CC(C)[C@H](C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029453403	0	57	0.0	-73.01	399.06	5.81	-67.20
CC[NH+](CC)CC(F)C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029453463	0	57	0.0	-56.65	416.04	5.43	-51.22
C[NH+](C)C1(C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)CCC1	REAL300029453484	0	55	0.0	-54.20	390.62	5.98	-48.22
CCC(C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](CC)CC	REAL300029453512	0	60	0.0	-56.89	421.68	6.06	-50.83
CC1CCC[N@@H+]1CC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029453523	0	55	0.0	-54.77	397.43	5.39	-49.38
CC1CCC[N@H+]1CC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029453523	1	55	0.0	-49.86	396.68	5.56	-44.30
CC(C)[N@@H+]1CCCC1C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029453569	0	58	0.0	-52.98	401.69	5.82	-47.16
CC(C)[N@H+]1CCCC1C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029453569	1	58	0.0	-56.14	417.08	5.88	-50.26
CC(C)[C@@H](C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029453578	0	57	0.0	-60.36	401.27	5.43	-54.93
CC1CC[N@H+](CC(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029453592	0	55	0.0	-58.45	405.94	5.52	-52.93
CC1CC[N@@H+](CC(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029453592	1	55	0.0	-58.11	406.26	5.56	-52.55
CC1(C)CC[N@H+](CC(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029453596	0	58	0.0	-49.88	423.43	6.42	-43.46
CC1(C)CC[N@@H+](CC(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029453596	1	58	0.0	-76.90	430.19	6.26	-70.64
C[N@H+](CC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300029453597	0	60	0.0	-57.92	427.15	6.27	-51.65
C[N@@H+](CC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300029453597	1	60	0.0	-58.09	428.71	6.39	-51.70
CC[C@@H](C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029453605	0	54	0.0	-71.07	385.43	5.05	-66.02
CC1=[NH+]C=CN1CC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029453726	1	50	0.0	-57.84	388.28	5.44	-52.40
CC[N@@H+]1CCOC(C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029453790	1	56	0.0	-55.01	404.63	4.67	-50.34
CC[N@H+]1CCOC(C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029453790	1	56	0.0	-87.85	405.08	4.66	-83.19
O=C(C1=CN2C=[NH+]C=C2C=C1)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029453820	0	50	0.0	-66.49	383.55	7.02	-59.47
CC1=C[NH+]=CN1CC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029453823	1	50	0.0	-62.69	388.57	6.19	-56.50
C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029453830	0	55	0.0	-60.49	395.99	5.52	-54.97
C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029453830	1	55	0.0	-59.33	402.83	5.08	-54.25
CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029453832	0	58	0.0	-74.94	411.42	5.55	-69.39
CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029453832	1	58	0.0	-72.35	416.90	6.02	-66.33
CC1CCC(C)[NH+]1CC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029453839	0	58	0.0	-55.27	416.71	5.87	-49.40
O=C(CCC[NH+]1CCCC1)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029453842	0	58	0.0	-63.41	428.05	6.31	-57.10
O=C(CC[NH+]1CCCCC1)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029453846	0	58	0.0	-64.50	423.00	6.48	-58.02
CC[N@@H+]1CCCCC1C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029453849	0	58	0.0	-70.39	417.00	6.29	-64.10
CC[N@H+]1CCCCC1C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029453849	1	58	0.0	-53.71	418.20	6.05	-47.66
C[N@H+](CC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300029453947	0	55	0.0	-57.07	406.02	5.87	-51.20
C[N@@H+](CC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300029453947	1	55	0.0	-57.89	406.00	5.86	-52.03
C[NH+]1CCC(C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029453978	0	55	0.0	-60.26	397.66	5.31	-54.95
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454008	0	52	0.0	-58.71	377.89	4.71	-54.00
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454008	1	52	0.0	-71.19	379.11	4.95	-66.24
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454026	1	54	0.0	-54.97	407.76	5.72	-49.25
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454026	1	54	0.0	-54.87	408.07	6.13	-48.74
C[N@@H+]1CCCC1CCC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454031	0	58	0.0	-81.33	425.13	6.57	-74.76
C[N@H+]1CCCC1CCC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454031	1	58	0.0	-66.06	420.23	6.05	-60.01
C[N@@H+]1CCCCC1C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454105	0	55	0.0	-60.95	400.55	5.46	-55.49
C[N@H+]1CCCCC1C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454105	1	55	0.0	-57.27	400.09	5.78	-51.49
CC1C(C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029454163	0	55	0.0	-63.41	403.24	5.47	-57.94
CC1C(C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029454163	1	55	0.0	-63.39	403.90	5.33	-58.06
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454219	0	58	0.0	-56.67	422.62	5.56	-51.11
CC(C)(C)[N@H+]1CCC1C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454219	1	58	0.0	-54.68	419.98	5.91	-48.77
C[C@@H](C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029454233	0	51	0.0	-73.67	375.16	4.57	-69.10
C=CCC(C)(C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029454247	0	58	0.0	-58.41	405.10	5.54	-52.87
O=C(CC[NH+]1CCCC1)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454264	0	55	0.0	-64.65	407.31	5.77	-58.88
C[N@H+](CCO)CC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454273	1	52	0.0	-60.47	387.90	1.31	-59.16
C[N@@H+](CCO)CC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454273	1	52	0.0	-58.34	387.70	1.33	-57.01
C[N@H+]1CC=C(CC(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029454331	0	56	0.0	-72.66	418.54	6.29	-66.37
C[N@@H+]1CC=C(CC(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029454331	1	56	0.0	-67.14	418.14	6.36	-60.78
C[S+](C)CCC(O)C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454341	0	54	0.0	-51.88	417.44	3.36	-48.52
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454354	0	56	0.0	-59.82	397.48	1.56	-58.26
C[N@H+]1CC(O)CC1(C)C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454354	1	56	0.0	-63.63	396.39	1.64	-61.99
CC1C[NH+](CC(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029454384	1	52	0.0	-58.96	391.20	4.98	-53.98
CC[N@@H+]1CCCC(C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029454390	0	58	0.0	-68.74	412.33	6.26	-62.48
CC[N@H+]1CCCC(C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029454390	1	58	0.0	-70.09	412.02	6.26	-63.83
NC1=[NH+]C=CC=C1CC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454394	0	51	0.0	-59.34	394.12	3.70	-55.64
O=C(C1=CC(=O)[N-]O1)N1CCCCC2(CN(C(=O)C3CCC[N@@H+]3C3CC3)C2)C1	REAL300029454402	0	56	0.0	-54.10	409.98	5.74	-48.36
O=C(C1=CC(=O)[N-]O1)N1CCCCC2(CN(C(=O)C3CCC[N@H+]3C3CC3)C2)C1	REAL300029454402	1	56	0.0	-55.62	412.49	6.19	-49.43
O=C(C=CC[NH+]1CCCC1)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454432	0	56	0.0	-65.40	420.26	6.14	-59.26
CC[N@H+](C)CC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454477	0	51	0.0	-58.58	377.55	4.55	-54.03
O=C(CN1CC2C=CC1C2)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454512	0	54	0.0	-54.90	398.23	5.97	-48.93
O=C(C[N@@H+]1CC2C=CC1C2)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454512	1	54	0.0	-49.06	397.16	6.05	-43.01
O=C(C[N@H+]1CC2C=CC1C2)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454512	1	54	0.0	-49.06	397.16	6.05	-43.01
CC(OCC[NH+](C)C)C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454599	0	58	0.0	-65.12	429.75	5.66	-59.46
C[NH+](C)CCOCCC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454606	0	58	0.0	-66.34	435.82	4.83	-61.51
COCCN(C)CC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454608	0	55	0.0	-57.92	410.04	3.71	-54.21
COCC[N@H+](C)CC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454608	1	55	0.0	-60.18	410.16	3.72	-56.46
COCC[N@@H+](C)CC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454608	1	55	0.0	-60.18	410.16	3.72	-56.46
CC(CCC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029454611	0	57	0.0	-65.68	414.18	5.71	-59.97
CC[N@H+](CC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029454627	0	55	0.0	-60.17	403.74	6.00	-54.17
C[N@@H+]1CC2CC1(C(=O)N1CC3(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029454654	0	53	0.0	-53.23	382.46	4.90	-48.33
O=C(C[N@@H+]1CC2CCC1C2)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454663	0	56	0.0	-72.45	404.07	6.25	-66.20
O=C(C[N@H+]1CC2CCC1C2)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454663	1	56	0.0	-72.45	404.07	6.25	-66.20
CC(C[NH+](C)C)C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454678	0	54	0.0	-61.26	394.84	4.89	-56.37
CCN1CCC1C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454715	0	52	0.0	-58.12	391.36	4.85	-53.27
CC[N@@H+]1CCC1C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454715	1	52	0.0	-72.47	381.41	4.66	-67.81
CC[N@H+]1CCC1C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454715	1	52	0.0	-72.47	381.41	4.66	-67.81
CCC(C)(C)[NH2+]C(C)C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454726	0	60	0.0	-57.17	421.95	4.21	-52.96
CNC1=NC(C)=CC=C1C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454753	0	54	0.0	-67.08	406.61	4.56	-62.52
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454753	1	54	0.0	-67.08	406.61	4.56	-62.52
CCCC(C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029454762	0	57	0.0	-56.93	413.60	5.71	-51.22
C[NH+](C)C(C)(C)C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454767	0	54	0.0	-59.89	381.43	5.09	-54.80
CC(CC[NH+](C)C)C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454781	0	57	0.0	-67.74	416.34	5.70	-62.04
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454843	0	58	0.0	-55.44	420.39	5.43	-50.01
C[N@H+]1CC(C)(C)CC1C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454843	1	58	0.0	-55.44	420.39	5.43	-50.01
C[NH+](C)CCCCCC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454845	0	60	0.0	-68.93	445.85	6.96	-61.97
C[NH+]1CCN(CC(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029454852	1	57	0.0	-73.41	418.46	3.44	-69.97
CC1C[N@H+](C)CC(C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029454905	1	56	0.0	-75.41	406.69	4.96	-70.45
CC1C[N@@H+](C)CC(C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029454905	1	56	0.0	-86.87	407.08	5.12	-81.75
O=C(C[NH+]1CC2CC2C1)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454936	0	53	0.0	-57.69	395.34	5.77	-51.92
C[N@@H+]1CCCCC1C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454963	0	55	0.0	-60.95	400.55	5.46	-55.49
C[N@H+]1CCCCC1C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454963	1	55	0.0	-57.27	400.09	5.78	-51.49
C[N@@H+]1CCC(=CC(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029455037	0	53	0.0	-67.27	400.93	5.55	-61.72
C[N@H+]1CCC(=CC(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029455037	1	53	0.0	-67.73	399.52	5.43	-62.30
O=C(CNC1=CC=[NH+]C=C1)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455040	0	51	0.0	-63.99	394.71	3.30	-60.69
C[NH+](C)C1(C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300029455103	0	58	0.0	-53.42	407.80	6.30	-47.12
CCC1C[NH+](CC(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029455112	1	55	0.0	-75.62	409.92	5.98	-69.64
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455122	0	52	0.0	-72.08	382.27	5.13	-66.95
C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455122	1	52	0.0	-55.90	377.87	4.49	-51.41
NC1=CC=C(CCC(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)C=[NH+]1	REAL300029455166	0	54	0.0	-63.65	418.00	4.54	-59.11
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029455217	0	55	0.0	-76.07	407.02	5.90	-70.17
C[NH+](C)CCC1(C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029455226	0	58	0.0	-59.62	433.15	6.69	-52.93
C[N@@H+]1CC=CCC1CC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455227	0	56	0.0	-83.14	415.91	6.07	-77.07
C[N@H+]1CC=CCC1CC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455227	1	56	0.0	-56.28	405.15	6.03	-50.25
C[NH+](C)CCOCC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455263	0	55	0.0	-66.44	414.87	5.14	-61.30
[NH2+]=C1SC=CN1CC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455291	0	48	0.0	-55.19	386.95	4.06	-51.13
C[C@@H](OCC[NH+](C)C)C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455333	0	58	0.0	-72.00	430.52	5.57	-66.43
C[N@@H+]1CCCC(C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029455363	0	55	0.0	-60.12	395.85	5.48	-54.64
C[N@H+]1CCCC(C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029455363	1	55	0.0	-60.12	395.85	5.48	-54.64
O=C(C[NH+]1CCCCCC1)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455364	0	58	0.0	-62.16	410.05	6.09	-56.07
CN1C=C[N+](CC(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029455368	0	50	0.0	-62.63	390.23	7.55	-55.08
O=C(CN1CCC(O)CC1)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455391	0	56	0.0	-65.92	411.70	2.56	-63.36
O=C(C[NH+]1CCC(O)CC1)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455391	1	56	0.0	-65.92	411.70	2.56	-63.36
C[N@H+](CC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029455393	0	52	0.0	-57.37	388.99	5.28	-52.09
O=C(CC[N@H+]1CCC(F)C1)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455396	0	55	0.0	-64.08	413.88	5.66	-58.42
CC(CC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300029455417	0	57	0.0	-67.38	416.18	6.05	-61.33
CN1CCOCC1CC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455436	0	56	0.0	-62.75	409.86	3.73	-59.02
C[N@@H+]1CCOCC1CC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455436	1	56	0.0	-58.86	402.01	3.70	-55.16
C[N@H+]1CCOCC1CC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455436	1	56	0.0	-58.86	402.01	3.70	-55.16
CC1=CC(N)=NC=C1C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455476	0	51	0.0	-78.18	386.03	3.39	-74.79
CC1=CC(N)=[NH+]C=C1C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455476	1	51	0.0	-78.18	386.03	3.39	-74.79
CC1(O)CC[N@H+](CC(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029455506	0	56	0.0	-57.99	414.88	2.43	-55.56
C[NH+]1CC(CC(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029455534	0	52	0.0	-64.76	391.11	4.70	-60.06
C[N@H+](CCO)CCC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455564	0	55	0.0	-62.18	410.27	1.85	-60.33
C[N@@H+](CCO)CCC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455564	1	55	0.0	-62.18	410.27	1.85	-60.33
C[N@@H+]1CCCCC1CC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455582	0	58	0.0	-60.25	417.67	6.22	-54.03
C[N@H+]1CCCCC1CC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455582	1	58	0.0	-60.25	417.67	6.22	-54.03
CC1CCN1CC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455597	0	52	0.0	-50.89	384.03	4.99	-45.90
CC1CC[N@@H+]1CC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455597	1	52	0.0	-50.44	383.98	5.01	-45.43
CC1CC[N@H+]1CC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455597	1	52	0.0	-50.44	383.98	5.01	-45.43
C[NH+](C)CC=CC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455605	0	52	0.0	-69.49	394.71	5.24	-64.25
CC1(C)CN(CC(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029455611	0	55	0.0	-73.24	409.84	5.54	-67.70
CC1(C)C[NH+](CC(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029455611	1	55	0.0	-73.24	409.84	5.54	-67.70
C[NH+](C)CCSCC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455633	0	55	0.0	-70.51	425.89	5.98	-64.53
O=C(C[N@H+]1CCCC1CO)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455652	0	56	0.0	-61.32	412.10	2.63	-58.69
CC[NH+](CC)CC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455656	0	54	0.0	-61.05	393.46	5.35	-55.70
O=C(CN1CCC1)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455665	0	49	0.0	-75.27	367.76	4.63	-70.64
O=C(C[NH+]1CCC1)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455665	1	49	0.0	-75.27	367.76	4.63	-70.64
CC[NH+](CC)CCC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455696	0	57	0.0	-63.87	411.01	5.64	-58.23
CC(C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2)N1CCC1	REAL300029455755	0	52	0.0	-73.46	379.04	4.50	-68.96
CC(C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300029455755	1	52	0.0	-73.46	379.04	4.50	-68.96
CCC(CC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300029455760	0	60	0.0	-67.76	432.39	6.62	-61.14
C[NH+](C)CC(C)(C)C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455766	0	57	0.0	-64.53	400.79	5.24	-59.29
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455803	0	55	0.0	-57.27	400.17	5.76	-51.51
C[NH+](C)CC(O)CC(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455827	0	55	0.0	-69.66	411.58	3.09	-66.57
C=CCC(C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029455849	0	55	0.0	-56.24	406.83	5.57	-50.67
C[NH+]1CCC(C)(C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029455862	0	58	0.0	-73.42	408.48	5.77	-67.65
C[NH+](C)CCSCC(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029455925	0	55	0.0	-82.73	428.08	5.84	-76.89
C[N@@H+]1CCCC1C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029456084	0	46	0.0	-67.04	360.52	3.10	-63.94
C[N@H+]1CCCC1C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029456084	1	46	0.0	-69.53	355.47	2.58	-66.95
CC(C)C1=[NH+]C=CN1CCC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029456292	1	53	0.0	-67.03	419.03	4.83	-62.20
CC(C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+]1CCCCCC1	REAL300029456296	0	55	0.0	-69.25	402.01	4.25	-65.00
CC(C)[N@@H+]1CCCC1C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029456329	0	52	0.0	-67.91	392.57	3.77	-64.14
CC(C)[N@H+]1CCCC1C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029456329	1	52	0.0	-64.46	397.21	4.25	-60.21
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC2CCCC[N@@H+]2C1	REAL300029456352	0	53	0.0	-67.73	403.08	4.73	-63.00
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC2CCCC[N@H+]2C1	REAL300029456352	1	53	0.0	-68.00	403.22	4.75	-63.25
CC(C)C1=[NH+]C=CN1CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029456381	1	50	0.0	-65.06	401.27	4.80	-60.26
CC1=[NH+]C=CN1CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029456426	1	44	0.0	-69.03	363.06	3.29	-65.74
CC(C[NH+]1CCOCC1)C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029456428	1	53	0.0	-74.54	404.92	2.41	-72.13
O=C(CCC[NH+]1CCCCC1)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029456446	0	55	0.0	-70.15	421.02	5.29	-64.86
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1C[NH+]2CCC1CC2	REAL300029456489	0	50	0.0	-71.08	376.63	3.81	-67.27
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCCC2CCC[N@@H+]21	REAL300029456546	0	53	0.0	-65.88	392.14	4.61	-61.27
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCCC2CCC[N@H+]21	REAL300029456546	1	53	0.0	-63.49	399.83	4.88	-58.61
C[NH+](C)CCN1C=C(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C=N1	REAL300029456548	0	52	0.0	-77.70	419.82	3.54	-74.16
C[NH+](C)CCN1C=CC(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=N1	REAL300029456561	0	52	0.0	-75.51	420.18	3.54	-71.97
C[C@@H]1[C@H](C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@@H+]1C	REAL300029456568	0	49	0.0	-72.38	372.10	3.03	-69.35
C[C@@H]1[C@H](C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@H+]1C	REAL300029456568	1	49	0.0	-71.57	378.45	3.32	-68.25
CCC1=[NH+]C=CN1C(C)CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029456570	1	53	0.0	-64.20	421.47	5.25	-58.95
CC[C@@H]1[C@@H](C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@@H+]1C	REAL300029456573	0	52	0.0	-70.74	392.05	3.76	-66.98
CC[C@@H]1[C@@H](C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@H+]1C	REAL300029456573	1	52	0.0	-70.42	398.07	4.12	-66.30
CC[N@@H+]1CCOC(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029456595	1	50	0.0	-74.16	390.62	2.94	-71.22
CC[N@H+]1CCOC(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029456595	1	50	0.0	-80.25	388.77	2.60	-77.65
CC[NH+](CC)CC(F)C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029456650	0	51	0.0	-69.34	398.63	4.03	-65.31
CC1CCC(C)[NH+]1CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029456745	0	52	0.0	-68.85	390.73	3.56	-65.29
O=C(CCC[NH+]1CCCC1)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029456752	0	52	0.0	-70.18	405.15	4.57	-65.61
C[NH+](C)CC1=CC=CC(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=C1	REAL300029456753	0	52	0.0	-73.09	413.71	5.53	-67.56
C#CC[NH+]1CCC(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029456758	0	51	0.0	-76.96	402.76	4.65	-72.31
O=C(CC[NH+]1CCCCC1)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029456759	0	52	0.0	-70.53	399.30	4.46	-66.07
CC(C)C[N@@H+]1CCC(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029456794	0	55	0.0	-68.49	419.73	5.02	-63.47
CC(C)C[N@H+]1CCC(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029456794	1	55	0.0	-68.68	419.57	5.01	-63.67
CC(C)[N@@H+]1CCCC1CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029456803	0	55	0.0	-71.07	407.21	4.04	-67.03
CC(C)[N@H+]1CCCC1CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029456803	1	55	0.0	-67.87	414.14	4.74	-63.13
C[N@H+](CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCC1	REAL300029456881	0	49	0.0	-70.92	379.12	3.77	-67.15
C[N@@H+](CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCC1	REAL300029456881	1	49	0.0	-68.41	381.76	4.04	-64.37
CC(C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+]1C(C)CCC1C	REAL300029456957	0	55	0.0	-67.99	394.38	3.40	-64.59
CN(CCC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC=[NH+]C=C1	REAL300029457028	0	51	0.0	-69.93	408.09	3.33	-66.60
C[N@@H+]1CCCC1CCC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029457048	0	52	0.0	-75.02	400.49	4.28	-70.74
C[N@H+]1CCCC1CCC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029457048	1	52	0.0	-69.43	397.40	4.07	-65.36
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCC2CCCC[N@@H+]21	REAL300029457064	0	53	0.0	-67.17	401.44	4.64	-62.53
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCC2CCCC[N@H+]21	REAL300029457064	1	53	0.0	-65.06	396.24	4.55	-60.51
O=C(CCCC[NH+]1CCCC1)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029457090	0	55	0.0	-72.97	424.35	5.11	-67.86
C[N@H+](CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)CC1=CC=CC=C1	REAL300029457093	1	52	0.0	-73.99	412.17	5.65	-68.34
C[N@@H+](CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)CC1=CC=CC=C1	REAL300029457093	1	52	0.0	-77.62	409.74	5.38	-72.24
C[NH+]1CCC(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029457109	0	49	0.0	-75.66	377.61	3.47	-72.19
C[NH+](C)CC1=CC(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=NO1	REAL300029457155	1	48	0.0	-77.61	393.46	2.99	-74.62
CC1=C(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C=CC2=C[NH+]=CN21	REAL300029457157	0	47	0.0	-69.17	379.58	5.89	-63.28
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CN2C=[NH+]C=C2C=C1	REAL300029457360	0	44	0.0	-70.30	365.67	5.55	-64.75
CC1=[NH+]C=CN1CCCC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029457375	1	50	0.0	-67.57	406.28	4.95	-62.62
O=C(CCCC[NH+]1CCOCC1)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029457379	1	56	0.0	-76.21	431.88	3.26	-72.95
C[NH+](C)CC1=CC=C(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C=C1	REAL300029457383	0	52	0.0	-74.57	413.65	5.53	-69.04
O=C(CC[NH+]1CCOCC1)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029457384	1	50	0.0	-76.76	388.89	1.69	-75.07
CCC[NH+](CCC)CCCC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029457404	0	60	0.0	-73.03	456.17	5.89	-67.14
CC1=C[NH+]=CN1CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029457424	1	44	0.0	-69.07	365.05	4.37	-64.70
O=C(CN1C=[NH+]C2=C1CCCC2)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029457436	1	51	0.0	-71.40	404.62	5.86	-65.54
C[NH+](C)CC1(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CCCCC1	REAL300029457470	0	58	0.0	-68.81	417.16	5.59	-63.22
C[N@H+](CCC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCCCC1	REAL300029457474	0	58	0.0	-74.76	432.04	5.28	-69.48
C[N@@H+](CCC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCCCC1	REAL300029457474	1	58	0.0	-74.61	432.03	5.26	-69.35
C[NH+](C)C1CCCC(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029457516	0	55	0.0	-69.38	414.24	4.86	-64.52
C[N@@H+]1CCC(CC(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029457523	0	49	0.0	-71.52	382.08	3.58	-67.94
C[N@H+]1CCC(CC(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029457523	1	49	0.0	-71.14	382.49	3.64	-67.50
CCC(C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300029457540	0	48	0.0	-70.10	364.27	2.68	-67.42
C[NH+](C)C1(CC(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CCCC1	REAL300029457561	0	55	0.0	-71.36	399.20	4.44	-66.92
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC2=C[NH+]=CN2C=C1	REAL300029457620	1	44	0.0	-72.76	365.93	5.56	-67.20
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300029457659	1	47	0.0	-76.16	395.20	3.49	-72.67
C[NH+](C)CCCCC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029457687	0	51	0.0	-74.12	398.98	3.82	-70.30
CCC[N@H+](C)CCC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029457706	0	51	0.0	-71.54	397.11	4.01	-67.53
CCC[N@@H+](C)CCC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029457706	1	51	0.0	-74.59	395.21	3.63	-70.96
CCC[N@H+](C)CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029457711	0	48	0.0	-70.17	374.74	3.47	-66.70
CCC[N@@H+](C)CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029457711	1	48	0.0	-70.22	374.75	3.46	-66.76
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C12CC[N@H+](C1)CCC2	REAL300029457735	0	50	0.0	-69.69	377.09	3.26	-66.43
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C12CC[N@@H+](C1)CCC2	REAL300029457735	1	50	0.0	-71.16	377.48	3.24	-67.92
C[N@@H+]1CCC[C@@H]1C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029457791	0	46	0.0	-71.40	353.64	2.23	-69.17
C[N@H+]1CCC[C@@H]1C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029457791	1	46	0.0	-66.81	361.70	3.09	-63.72
CC1CC2CCC(C(=O)NC3(C4CN(C(=O)C5=CC(=O)[N-]O5)C4)CC3)C[N@@H+]2C1	REAL300029457816	0	56	0.0	-65.40	415.70	5.24	-60.16
CC1CC2CCC(C(=O)NC3(C4CN(C(=O)C5=CC(=O)[N-]O5)C4)CC3)C[N@H+]2C1	REAL300029457816	1	56	0.0	-67.26	423.47	5.35	-61.91
CCCCCC[N@H+](C)CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029457862	0	57	0.0	-74.50	436.75	5.54	-68.96
CCCCCC[N@@H+](C)CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029457862	1	57	0.0	-71.41	439.25	5.81	-65.60
CC[NH+](CC)CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029457880	0	48	0.0	-71.14	369.72	3.03	-68.11
CCC[N@@H+]1CCCC(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029457907	0	55	0.0	-71.74	417.35	4.70	-67.04
CCC[N@H+]1CCCC(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029457907	1	55	0.0	-64.47	413.12	5.26	-59.21
CC(C)[N@@H+]1CCOC(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029457924	1	53	0.0	-73.47	397.91	3.06	-70.41
CC(C)[N@H+]1CCOC(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029457924	1	53	0.0	-78.56	405.05	3.22	-75.34
CC1CC[NH+](CC(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029457962	0	52	0.0	-70.26	398.08	4.52	-65.74
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300029457988	1	47	0.0	-77.12	394.81	3.49	-73.63
C[NH+]1CCC(OCC(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029457996	0	53	0.0	-75.03	415.26	3.96	-71.07
C[NH+](C)CC1(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029458013	0	49	0.0	-69.38	380.72	3.63	-65.75
CC1=[NH+]C=C2CCC(C(=O)NC3(C4CN(C(=O)C5=CC(=O)[N-]O5)C4)CC3)CN21	REAL300029458014	1	51	0.0	-64.16	403.02	4.78	-59.38
CC(C)[NH+]1CCC(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029458104	0	55	0.0	-73.08	408.28	4.41	-68.67
C[NH+]1CCC(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029458130	0	49	0.0	-75.66	377.61	3.47	-72.19
CCC(C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](CC)CC	REAL300029458167	0	54	0.0	-66.58	399.77	3.98	-62.60
CC[N@H+](C)CCC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029458257	0	48	0.0	-70.82	375.61	3.27	-67.55
CC[N@@H+](C)CCC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029458257	1	48	0.0	-73.82	373.73	2.90	-70.92
CC1CCC[N@@H+]1CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029458321	0	49	0.0	-67.11	374.09	3.40	-63.71
CC1CCC[N@H+]1CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029458321	1	49	0.0	-66.80	374.21	3.43	-63.37
CC1CC[N@H+](CC(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029458324	0	49	0.0	-69.26	381.68	3.69	-65.57
CC1CC[N@@H+](CC(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029458324	1	49	0.0	-69.32	381.65	3.79	-65.53
CC(C)(C)[N@@H+]1CCC(F)(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029458325	0	55	0.0	-64.14	417.73	4.32	-59.82
CC(C)(C)[N@H+]1CCC(F)(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029458325	1	55	0.0	-65.04	417.19	4.31	-60.73
CC1=[NH+]C=C2CC(C(=O)NC3(C4CN(C(=O)C5=CC(=O)[N-]O5)C4)CC3)CCN21	REAL300029458326	1	51	0.0	-66.58	404.66	4.77	-61.81
C[NH+](C)CCC1=CC=C(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C=C1	REAL300029458328	0	55	0.0	-79.38	434.25	6.01	-73.37
CC1(C)CC[N@H+](CC(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029458330	0	52	0.0	-72.33	398.65	3.94	-68.39
CC1(C)CC[N@@H+](CC(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029458330	1	52	0.0	-72.30	398.52	3.92	-68.38
C[N@H+](CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)CC(C)(C)C	REAL300029458331	0	54	0.0	-69.50	405.14	4.54	-64.96
C[N@@H+](CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)CC(C)(C)C	REAL300029458331	1	54	0.0	-69.84	405.42	4.59	-65.25
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029458332	0	55	0.0	-74.50	434.66	6.49	-68.01
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029458332	1	55	0.0	-77.36	432.16	6.22	-71.14
CC[C@@H](C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300029458341	0	48	0.0	-68.00	368.92	3.20	-64.80
CC(COCC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+]1CCCC1	REAL300029458348	0	56	0.0	-70.06	432.20	4.27	-65.79
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC[NH+](CC2CC2)CC1	REAL300029458437	0	56	0.0	-75.95	426.77	5.66	-70.29
C[NH+]1CCC(O)(CC(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029458567	0	53	0.0	-71.86	405.85	2.17	-69.69
COCC[N@@H+]1CCCC1CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029458573	0	56	0.0	-62.26	425.94	3.95	-58.31
COCC[N@H+]1CCCC1CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029458573	1	56	0.0	-64.81	427.71	3.63	-61.18
C[NH+](C)CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029458580	0	42	0.0	-73.48	333.62	1.68	-71.80
O=C(C[NH+]1CCC(CO)CC1)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029458584	0	53	0.0	-73.04	409.32	1.22	-71.82
O=C(C[NH+]1CCCCCC1)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029458588	0	52	0.0	-72.50	383.99	3.83	-68.67
CN1C=C[N+](CC(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=C1	REAL300029458593	0	44	0.0	-68.27	366.52	5.53	-62.74
C[N@@H+]1CCCC(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029458603	0	49	0.0	-65.68	373.76	3.84	-61.84
C[N@H+]1CCCC(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029458603	1	49	0.0	-65.60	373.84	3.85	-61.75
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCC[N@@H+]1C1CC1	REAL300029458608	0	50	0.0	-68.99	388.70	4.04	-64.95
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCC[N@H+]1C1CC1	REAL300029458608	1	50	0.0	-64.71	387.91	4.39	-60.32
CC(C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+]1CCC1	REAL300029458641	1	46	0.0	-67.53	363.72	3.12	-64.41
CCC(CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C[NH+](C)C	REAL300029458651	0	54	0.0	-68.15	408.85	4.30	-63.85
O=C(C[NH+]1CCC(O)CC1)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029458698	1	50	0.0	-74.07	388.71	0.57	-73.50
C[N@H+](CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC1	REAL300029458700	0	46	0.0	-70.08	362.90	3.10	-66.98
C[N@@H+](CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC1	REAL300029458700	1	46	0.0	-68.02	364.72	3.44	-64.58
CC(C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)N1CC[NH+](C)CC1	REAL300029458701	1	54	0.0	-69.96	408.62	1.86	-68.10
C[NH+]1CC(CC(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029458725	0	46	0.0	-73.35	365.06	2.51	-70.84
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC[N@@H+]1C1CCCC1	REAL300029458729	0	53	0.0	-68.03	401.29	4.60	-63.43
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC[N@H+]1C1CCCC1	REAL300029458729	1	53	0.0	-72.46	403.63	4.56	-67.90
CC(C)(C)[N@@H+]1CCC1C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029458737	0	52	0.0	-65.81	396.90	3.75	-62.06
CC(C)(C)[N@H+]1CCC1C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029458737	1	52	0.0	-66.45	376.05	3.41	-63.04
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300029458747	0	52	0.0	-67.98	412.08	2.55	-65.43
C[C@@H](C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300029458750	0	45	0.0	-68.08	353.49	2.41	-65.67
CCC1CCC[N@H+](CC(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029458795	0	55	0.0	-70.12	416.42	5.14	-64.98
CCC1CCC[N@@H+](CC(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029458795	1	55	0.0	-70.12	416.38	5.16	-64.96
C[NH+](C)CC1=CC=C(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)N1	REAL300029458803	0	50	0.0	-74.34	401.84	3.46	-70.88
C[NH+]1C2CCC1CC(CC(=O)NC1(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC1)C2	REAL300029458815	0	56	0.0	-72.05	398.70	4.23	-67.82
C[NH+](C)C(CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC=CC=C1	REAL300029458820	0	55	0.0	-74.49	425.24	6.01	-68.48
[NH2+]=C1SC=CN1CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029458856	0	42	0.0	-65.54	362.59	2.23	-63.31
C[N@H+](CCO)CCC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029458867	0	49	0.0	-73.54	384.06	-0.33	-73.87
C[N@@H+](CCO)CCC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029458867	1	49	0.0	-70.63	385.95	0.02	-70.61
C[C@@H](C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300029458868	0	45	0.0	-68.08	353.49	2.41	-65.67
C[N@@H+]1CCCC[C@@H]1C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029458873	0	49	0.0	-67.27	368.18	3.47	-63.80
C[N@H+]1CCCC[C@@H]1C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029458873	1	49	0.0	-67.54	377.25	3.62	-63.92
CC1CN2CC[N@@H+]1CC2C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029458880	0	52	0.0	-73.06	388.29	1.03	-72.03
CC1CN2CC[N@H+]1CC2C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029458880	1	52	0.0	-72.80	388.25	0.99	-71.81
O=C(CC1=CC2=C[NH+]=CN2C=C1)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029458939	0	47	0.0	-69.94	389.69	6.21	-63.73
C[N@H+](CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCSC1	REAL300029458967	0	50	0.0	-78.18	393.11	3.91	-74.27
C[N@@H+](CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCSC1	REAL300029458967	1	50	0.0	-75.78	394.78	4.30	-71.48
O=C(C[NH+]1CCC1)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029458968	1	43	0.0	-70.17	345.68	2.50	-67.67
C[NH+](C)CC1=CC(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=CC=N1	REAL300029459001	1	51	0.0	-70.56	409.44	3.68	-66.88
C[N@@H+]1CCC(=CC(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029459002	0	47	0.0	-72.90	373.40	3.62	-69.28
C[N@H+]1CCC(=CC(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029459002	1	47	0.0	-72.86	373.39	3.63	-69.23
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1C[NH+](C2CCCCC2)C1	REAL300029459027	0	56	0.0	-72.66	427.62	5.40	-67.26
C[NH+](C)CCOCC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029459041	0	49	0.0	-71.77	389.48	2.58	-69.19
CCCCC[N@H+](C)CCC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029459048	0	57	0.0	-72.40	440.10	5.57	-66.83
CCCCC[N@@H+](C)CCC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029459048	1	57	0.0	-75.51	438.21	5.19	-70.32
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)O1	REAL300029459057	0	53	0.0	-72.13	412.37	3.48	-68.65
C=CCC(C)(C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300029459069	0	52	0.0	-64.01	390.71	4.05	-59.96
C[S+](C)CCC(O)C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029459074	0	48	0.0	-73.28	400.15	1.52	-71.76
CN1CC[N@H+](C)CC(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029459119	0	54	0.0	-68.51	406.49	1.77	-66.74
CN1CC[N@@H+](C)CC(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029459119	1	54	0.0	-68.51	406.49	1.77	-66.74
CC(C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[N@@H+]1CCCC(O)C1	REAL300029459120	0	53	0.0	-69.84	404.54	0.58	-69.26
C[N@@H+]1CCCC(O)(CC(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029459145	0	53	0.0	-69.02	393.26	2.15	-66.87
C[N@H+]1CCCC(O)(CC(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029459145	1	53	0.0	-69.02	393.26	2.15	-66.87
CC1CN(CC(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029459149	0	46	0.0	-70.36	365.45	3.19	-67.17
CC1C[NH+](CC(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029459149	1	46	0.0	-70.36	365.45	3.19	-67.17
CN(CCO)CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029459177	0	46	0.0	-70.76	363.60	-0.51	-71.27
C[N@H+](CCO)CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029459177	1	46	0.0	-73.16	360.89	-0.79	-73.95
C[N@@H+](CCO)CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029459177	1	46	0.0	-73.16	360.89	-0.79	-73.95
C[NH+]1C2CCC1CC(=CC(=O)NC1(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC1)C2	REAL300029459198	0	54	0.0	-69.20	408.58	4.98	-64.22
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1C[N@@H+]2CCN1CCC2	REAL300029459202	0	52	0.0	-74.85	383.53	1.33	-73.52
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1C[N@H+]2CCN1CCC2	REAL300029459202	1	52	0.0	-74.85	383.53	1.33	-73.52
CC[N@@H+]1CCCC(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029459209	0	52	0.0	-64.38	391.27	4.49	-59.89
CC[N@H+]1CCCC(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029459209	1	52	0.0	-64.38	391.27	4.49	-59.89
CC(CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C[NH+](C)C	REAL300029459211	0	51	0.0	-73.79	390.80	3.68	-70.11
CC[N@H+](C)CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029459226	0	45	0.0	-69.83	353.25	2.72	-67.11
CC[N@H+](CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC1	REAL300029459284	0	49	0.0	-70.16	379.97	3.63	-66.53
CC[NH+](CC)CCC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029459303	0	51	0.0	-72.95	391.56	3.60	-69.35
CC1(C)CN(CC(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029459334	0	49	0.0	-69.84	386.32	3.74	-66.10
CC1(C)C[NH+](CC(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029459334	1	49	0.0	-69.84	386.32	3.74	-66.10
O=C(CCCC[NH+]1CCCCC1)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029459340	0	58	0.0	-70.37	442.06	6.04	-64.33
CC1(O)CC[N@H+](CC(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029459368	0	50	0.0	-70.35	391.83	0.44	-69.91
C[NH+](C)CC=CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029459378	0	46	0.0	-72.91	372.53	3.30	-69.61
CC(OCC[NH+](C)C)C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029459399	0	52	0.0	-70.06	410.17	3.66	-66.40
C[NH+](C)CCOCCC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029459411	0	52	0.0	-72.18	410.44	2.46	-69.72
COCCN(C)CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029459412	0	49	0.0	-73.03	383.14	1.61	-71.42
COCC[N@H+](C)CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029459412	1	49	0.0	-70.92	385.86	1.88	-69.04
COCC[N@@H+](C)CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029459412	1	49	0.0	-70.92	385.86	1.88	-69.04
COCCCC[N@H+](C)CCC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029459440	0	58	0.0	-78.43	450.38	3.48	-74.95
COCCCC[N@@H+](C)CCC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029459440	1	58	0.0	-78.43	450.38	3.48	-74.95
CC(CCC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300029459463	0	51	0.0	-75.73	387.25	3.41	-72.32
CCN1CCC1C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029459474	0	46	0.0	-67.56	358.73	2.58	-64.98
CC[N@@H+]1CCC1C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029459474	1	46	0.0	-67.82	360.08	2.71	-65.11
CC[N@H+]1CCC1C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029459474	1	46	0.0	-67.82	360.08	2.71	-65.11
CC(C)[N@@H+]1CCCC(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029459488	0	55	0.0	-67.30	414.30	4.83	-62.47
CC(C)[N@H+]1CCCC(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029459488	1	55	0.0	-67.30	414.30	4.83	-62.47
CC(C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[N@H+](C)CC1=CC=CC=C1	REAL300029459494	0	55	0.0	-70.04	430.26	6.03	-64.01
O=C(C[N@H+]1CCCC1CO)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029459503	0	50	0.0	-68.99	388.62	0.60	-68.39
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC2CCCC[N@@H+]2C1	REAL300029459527	0	53	0.0	-68.00	403.22	4.75	-63.25
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC2CCCC[N@H+]2C1	REAL300029459527	1	53	0.0	-68.00	403.22	4.75	-63.25
C=CCC(C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300029459570	0	49	0.0	-69.61	377.29	3.15	-66.46
C[N@@H+]1CC(C)(C)CC1C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029459584	0	52	0.0	-69.07	395.99	3.66	-65.41
C[NH+](C)CCCCCC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029459589	0	54	0.0	-73.30	420.48	4.59	-68.71
CC1C[N@@H+]2CCN1C(C(=O)NC1(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC1)C2	REAL300029459635	0	52	0.0	-71.52	388.64	1.04	-70.48
CCCC(C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300029459636	0	51	0.0	-71.21	385.52	3.45	-67.76
CC[NH+](CC)CCSCC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029459679	0	55	0.0	-75.04	431.75	4.71	-70.33
C[N@@H+]1CCCCC1C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029459688	0	49	0.0	-69.08	375.57	3.27	-65.81
C[N@H+]1CC=C(CC(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029459737	0	50	0.0	-69.88	392.77	4.00	-65.88
C[N@@H+]1CC=C(CC(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029459737	1	50	0.0	-69.88	392.77	4.00	-65.88
O=C(CC1([NH+]2CCCC2)CC1)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029459747	0	53	0.0	-66.51	400.40	4.75	-61.76
C[NH+](C)CC1=CC=C(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)O1	REAL300029459801	1	49	0.0	-71.98	400.04	3.86	-68.12
C[NH+](C)CC1=CC=C(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C=N1	REAL300029459806	0	51	0.0	-74.09	409.44	4.05	-70.04
O=C(C=CC[NH+]1CCCC1)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029459821	0	50	0.0	-74.90	395.91	4.11	-70.79
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC[NH+](C2CC2)CC1	REAL300029459846	0	53	0.0	-70.44	404.72	4.89	-65.55
O=C(CC[NH+]1CCCC1)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029459868	0	49	0.0	-73.39	381.95	3.41	-69.98
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1C[NH+]2CCN1CC2	REAL300029459914	0	49	0.0	-75.35	371.71	0.49	-74.86
O=C(C[N@@H+]1CC2CCC1C2)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029459937	0	50	0.0	-68.27	381.84	4.12	-64.15
O=C(C[N@H+]1CC2CCC1C2)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029459937	1	50	0.0	-68.00	382.37	4.14	-63.86
CC(C)[NH+]1CCC(CC(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029459950	0	58	0.0	-69.80	427.48	5.00	-64.80
O=C(C=C1C[NH+]2CCC1CC2)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029459996	0	51	0.0	-69.21	389.49	4.20	-65.01
O=C(C[N@@H+]1CC2C=CC1C2)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029460008	1	48	0.0	-68.36	374.63	4.00	-64.36
O=C(C[N@H+]1CC2C=CC1C2)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029460008	1	48	0.0	-68.08	374.78	4.00	-64.08
C[NH+](C)CC(C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC=CC=C1	REAL300029460038	0	55	0.0	-78.19	429.68	5.75	-72.44
CC[NH+]1CCN(CC(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029460040	0	54	0.0	-68.67	412.05	2.20	-66.47
CC(C[NH+](C)C)C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029460061	0	48	0.0	-70.62	373.96	3.33	-67.29
C[N@@H+]1CCCCC1CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029460152	0	52	0.0	-70.88	394.71	4.24	-66.64
C[N@H+]1CCCCC1CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029460152	1	52	0.0	-63.81	387.17	4.09	-59.72
CC1=C2C=C(C(=O)NC3(C4CN(C(=O)C5=CC(=O)[N-]O5)C4)CC3)C=CN2C=[NH+]1	REAL300029460170	1	47	0.0	-70.53	387.85	6.12	-64.41
CC(C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+]1CC(C)C1	REAL300029460171	1	49	0.0	-67.59	382.89	3.72	-63.87
CC1CC[N@@H+]1CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029460175	1	46	0.0	-67.99	361.15	2.85	-65.14
CC1CC[N@H+]1CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029460175	1	46	0.0	-68.74	366.69	3.15	-65.59
C[NH+](C)CC(O)CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029460179	0	49	0.0	-76.71	386.23	0.59	-76.12
CC1C[N@H+](C)CC(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)O1	REAL300029460212	1	50	0.0	-76.65	393.96	3.03	-73.62
CC1C[N@@H+](C)CC(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)O1	REAL300029460212	1	50	0.0	-76.49	385.08	2.54	-73.95
O=C(CC[NH+]1CCC(O)CC1)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029460224	0	53	0.0	-74.33	409.95	1.09	-73.24
CCC[N@@H+]1CCCCC1C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029460227	0	55	0.0	-66.28	416.81	5.04	-61.24
CCC[N@H+]1CCCCC1C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029460227	1	55	0.0	-65.24	416.71	5.01	-60.23
CC[NH+]1CCN(CCC(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029460232	0	57	0.0	-69.62	434.12	2.72	-66.90
CCN1CC[NH+](CCC(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029460232	1	57	0.0	-74.96	431.63	2.45	-72.51
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300029460235	0	56	0.0	-69.48	405.83	4.81	-64.67
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300029460235	1	56	0.0	-63.15	410.17	5.52	-57.63
CC(C)C[NH+]1CCC(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029460280	0	58	0.0	-75.23	434.05	5.56	-69.67
C[NH+](C)C1CCN(CC(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029460299	0	57	0.0	-70.15	428.63	2.72	-67.43
C[NH+](C)[C@H]1C[C@H](C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029460320	0	49	0.0	-71.09	385.13	3.74	-67.35
CC(CC[NH+](C)C)C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029460328	0	51	0.0	-70.78	395.35	3.93	-66.85
C[N@H+](CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[C@@H]1CCC[C@H]1O	REAL300029460357	0	53	0.0	-66.95	405.60	1.35	-65.60
C[N@@H+](CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[C@@H]1CCC[C@H]1O	REAL300029460357	1	53	0.0	-69.19	406.50	1.27	-67.92
C#CC[N@H+]1CCCCC1C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029460365	1	51	0.0	-67.51	393.38	4.66	-62.85
C#CC[N@@H+]1CCCCC1C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029460365	1	51	0.0	-66.94	402.70	4.82	-62.12
C[NH+](C)C(CC1=CC=CC=C1)C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029460369	0	55	0.0	-76.59	421.54	5.60	-70.99
C[NH+]1CCN(CC(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029460371	1	51	0.0	-70.81	394.92	1.55	-69.26
CC[NH+]1CCN(CC(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029460382	0	54	0.0	-68.67	412.05	2.20	-66.47
NC(=[NH2+])SCC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029460409	0	40	0.0	-73.99	341.54	-1.37	-75.36
CCN1CCOCC1CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029460452	0	53	0.0	-71.30	399.30	2.37	-68.93
CC[N@@H+]1CCOCC1CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029460452	1	53	0.0	-72.68	403.22	2.51	-70.17
CC[N@H+]1CCOCC1CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029460452	1	53	0.0	-72.68	403.22	2.51	-70.17
CC1CCCC(C)[NH+]1CCC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029460468	0	58	0.0	-66.97	429.32	5.16	-61.81
C[NH+](C)C1CCC(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029460471	0	55	0.0	-67.80	405.32	4.46	-63.34
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029460475	0	55	0.0	-69.75	405.93	4.37	-65.38
C[N@@H+]1CC=CCC1CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029460476	0	50	0.0	-65.84	381.59	4.03	-61.81
C[N@H+]1CC=CCC1CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029460476	1	50	0.0	-65.84	381.59	4.03	-61.81
C[C@@H](OCC[NH+](C)C)C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029460502	0	52	0.0	-69.10	410.96	3.60	-65.50
C[NH+]1C2CCC1CC(C(=O)NC1(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC1)C2	REAL300029460531	0	53	0.0	-70.81	375.11	4.17	-66.64
CC(C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+]1CCSCC1	REAL300029460665	1	50	0.0	-73.93	389.01	3.52	-70.41
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1C[NH+](C2CCOCC2)C1	REAL300029460669	0	54	0.0	-74.64	419.12	2.98	-71.66
C[N@H+]1CCC[C@H]1C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029460679	1	46	0.0	-69.32	355.60	2.59	-66.73
O=C(CC[N@@H+]1CCC(F)C1)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029460688	1	49	0.0	-75.18	389.72	3.87	-71.31
O=C(CC[NH+]1CCCCCC1)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029460708	0	55	0.0	-72.03	409.53	4.68	-67.35
O=C(C[NH+]1CCCCC1)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029460711	0	49	0.0	-72.66	374.75	3.66	-69.00
CC1C(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@@H+]1C	REAL300029460719	0	49	0.0	-69.67	378.34	3.30	-66.37
CC1C(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@H+]1C	REAL300029460719	1	49	0.0	-69.85	381.92	3.44	-66.41
C[N@@H+]1CCCCC1CCC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029460722	0	55	0.0	-71.48	414.69	4.60	-66.88
C[N@H+]1CCCCC1CCC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029460722	1	55	0.0	-68.59	416.83	4.98	-63.61
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC[N@@H+]2CCOCC12	REAL300029460753	0	51	0.0	-71.61	394.32	2.32	-69.29
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC[N@H+]2CCOCC12	REAL300029460753	1	51	0.0	-68.35	390.61	2.36	-65.99
CC1=[NH+]C=C2C=CC(C(=O)NC3(C4CN(C(=O)C5=CC(=O)[N-]O5)C4)CC3)=CN21	REAL300029460760	0	47	0.0	-66.24	387.07	5.32	-60.92
CN1CCOCC1CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029460782	0	50	0.0	-66.69	378.63	1.72	-64.97
C[N@@H+]1CCOCC1CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029460782	1	50	0.0	-68.54	378.54	1.70	-66.84
C[N@H+]1CCOCC1CC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029460782	1	50	0.0	-66.69	378.63	1.72	-64.97
CC1=C(C)[NH+]=C(CCC(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)N1	REAL300029460793	1	50	0.0	-67.82	403.85	2.96	-64.86
C[NH+](C)CCC1=CC=CC(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=C1	REAL300029460802	0	55	0.0	-74.17	436.14	6.37	-67.80
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCN1CC1=CC=CC=C1	REAL300029460805	0	53	0.0	-68.59	419.87	5.69	-62.90
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300029460805	1	53	0.0	-69.74	417.32	5.54	-64.20
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC[N@H+]1CC1=CC=CC=C1	REAL300029460805	1	53	0.0	-68.59	419.87	5.69	-62.90
CC(C)C[N@@H+]1CCCC(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029460809	0	58	0.0	-65.67	427.82	5.91	-59.76
CC(C)C[N@H+]1CCCC(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029460809	1	58	0.0	-64.78	430.20	5.93	-58.85
C[N@@H+]1CCCC1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029460974	0	46	0.0	-67.31	356.67	2.65	-64.66
C[N@H+]1CCCC1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029460974	1	46	0.0	-68.24	362.69	3.15	-65.09
C[N@@H+]1CCOC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029461000	1	47	0.0	-79.81	361.55	1.95	-77.86
C[N@H+]1CCOC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029461000	1	47	0.0	-84.39	370.27	2.48	-81.91
CC1=[NH+]C=CN1CCCC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029461173	1	50	0.0	-69.86	408.41	5.07	-64.79
O=C(CCCC[NH+]1CCOCC1)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029461177	1	56	0.0	-76.22	435.70	3.74	-72.48
C[NH+](C)CC1=CC=C(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C=C1	REAL300029461183	0	52	0.0	-80.95	411.33	5.18	-75.77
O=C(CC[NH+]1CCOCC1)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029461184	1	50	0.0	-78.90	390.81	1.81	-77.09
C[NH+](C)C(C)(C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C1=CC=CC=C1	REAL300029461204	0	55	0.0	-75.25	412.77	5.90	-69.35
CCC[NH+](CCC)CCCC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029461212	0	60	0.0	-72.46	459.99	6.39	-66.07
CC[N@H+](C)C(C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C1=CC=CC=C1	REAL300029461213	0	55	0.0	-68.58	423.85	5.78	-62.80
CC[N@@H+](C)C(C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C1=CC=CC=C1	REAL300029461213	1	55	0.0	-70.56	423.91	6.16	-64.40
O=C(NC1(C2CN(C(=O)C34CCC[NH+]3CCC4)C2)CC1)C1=CC(=O)[N-]O1	REAL300029461231	0	50	0.0	-65.72	378.22	3.65	-62.07
O=C(NC1(C2CN(C(=O)C3=CC4=C[NH+]=CN4C=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029461249	1	44	0.0	-76.50	363.52	5.23	-71.27
C[NH+](C)C1CCCC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029461329	0	55	0.0	-65.90	407.21	4.60	-61.30
C[N@@H+]1CCC(CC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029461336	0	49	0.0	-72.94	384.42	3.72	-69.22
C[N@H+]1CCC(CC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029461336	1	49	0.0	-73.33	383.88	3.75	-69.58
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029461350	0	48	0.0	-75.32	386.44	2.37	-72.95
CCC(C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029461356	0	48	0.0	-68.48	368.13	3.13	-65.35
O=C(NC1(C2CN(C(=O)C3=NN(C4=CC=[NH+]C=C4)C=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029461366	1	47	0.0	-81.65	394.86	3.62	-78.03
CC1CC2CCC(C(=O)N3CC(C4(NC(=O)C5=CC(=O)[N-]O5)CC4)C3)C[N@@H+]2C1	REAL300029461418	0	56	0.0	-63.02	419.31	5.46	-57.56
CC1CC2CCC(C(=O)N3CC(C4(NC(=O)C5=CC(=O)[N-]O5)CC4)C3)C[N@H+]2C1	REAL300029461418	1	56	0.0	-61.86	415.14	5.07	-56.79
C[NH+](C)CCCCC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029461456	0	51	0.0	-74.22	402.80	4.28	-69.94
CC(C)C(C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029461480	0	51	0.0	-69.32	381.61	3.68	-65.64
CCC[N@H+](C)CCC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029461482	0	51	0.0	-72.93	398.89	4.11	-68.82
CCC[N@@H+](C)CCC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029461482	1	51	0.0	-73.14	399.03	4.11	-69.03
CCC[N@H+](C)CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029461489	0	48	0.0	-70.24	376.66	3.56	-66.68
CCC[N@@H+](C)CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029461489	1	48	0.0	-74.02	374.77	3.22	-70.80
O=C(NC1(C2CN(C(=O)C34CC[N@H+](C3)CCC4)C2)CC1)C1=CC(=O)[N-]O1	REAL300029461520	0	50	0.0	-74.31	373.14	3.10	-71.21
O=C(NC1(C2CN(C(=O)C34CC[N@@H+](C3)CCC4)C2)CC1)C1=CC(=O)[N-]O1	REAL300029461520	1	50	0.0	-79.25	373.52	3.11	-76.14
CCCCCC[N@H+](C)CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029461574	0	57	0.0	-71.47	441.16	5.90	-65.57
CCCCCC[N@@H+](C)CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029461574	1	57	0.0	-75.20	439.26	5.56	-69.64
CC[NH+](CC)C(C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C(C)C	REAL300029461585	0	57	0.0	-63.54	411.60	4.85	-58.69
CC1CC[NH+](CC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029461630	0	52	0.0	-70.29	400.25	4.61	-65.68
O=C(NC1(C2CN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029461662	1	47	0.0	-78.96	391.99	3.25	-75.71
C[NH+]1CCC(OCC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029461672	0	53	0.0	-78.79	417.36	4.30	-74.49
O=C(NC1(C2CN(C(=O)C3CC4CCCC[N@@H+]4C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029461745	0	53	0.0	-69.96	403.21	4.77	-65.19
O=C(NC1(C2CN(C(=O)C3CC4CCCC[N@H+]4C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029461745	1	53	0.0	-77.15	401.12	4.44	-72.71
C[NH+](C)CC1(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029461761	0	49	0.0	-65.13	388.75	3.85	-61.28
CC1=[NH+]C=C2CCC(C(=O)N3CC(C4(NC(=O)C5=CC(=O)[N-]O5)CC4)C3)CN21	REAL300029461762	1	51	0.0	-69.50	400.84	4.31	-65.19
CC(C)[NH+]1CCC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029461774	0	55	0.0	-72.35	413.74	4.77	-67.58
CC[N@H+](C)CCC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029461814	0	48	0.0	-72.65	377.53	3.38	-69.27
CC[N@@H+](C)CCC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029461814	1	48	0.0	-72.45	377.53	3.37	-69.08
CC(C)(C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+]1CCCCC1	REAL300029461850	0	55	0.0	-73.16	398.66	4.75	-68.41
O=C(NC1(C2CN(C(=O)C3C[NH+]4CCC3CC4)C2)CC1)C1=CC(=O)[N-]O1	REAL300029461869	0	50	0.0	-72.94	377.10	3.85	-69.09
C[NH+]1CCC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029461971	0	49	0.0	-74.72	379.43	3.58	-71.14
CC(C)[C@H](C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029461994	0	51	0.0	-70.19	381.73	3.56	-66.63
O=C(NC1(C2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029462096	0	56	0.0	-79.39	428.84	5.47	-73.92
CC[NH+](CC)CC(F)C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029462144	0	51	0.0	-73.72	395.60	3.83	-69.89
C[NH+](C)CC1=C(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)SC=C1	REAL300029462145	0	49	0.0	-61.24	398.87	4.49	-56.75
CC(C)C[N@@H+]1CCC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029462192	0	55	0.0	-75.18	419.21	4.68	-70.50
CC(C)C[N@H+]1CCC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029462192	1	55	0.0	-71.52	422.08	5.07	-66.45
C[NH+](C)C1(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CCC1	REAL300029462196	0	49	0.0	-68.35	367.55	3.38	-64.97
CCC(C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](CC)CC	REAL300029462235	0	54	0.0	-64.65	402.24	4.41	-60.24
CC1CCC[N@@H+]1CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029462267	0	49	0.0	-70.41	374.20	3.16	-67.25
CC1CCC[N@H+]1CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029462267	1	49	0.0	-66.80	375.95	3.49	-63.31
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029462366	1	53	0.0	-65.52	422.76	5.29	-60.23
CC(C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+]1CCCCCC1	REAL300029462373	0	55	0.0	-66.94	405.74	4.57	-62.37
CC(C)[N@@H+]1CCCCC1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029462376	0	55	0.0	-68.35	398.74	4.11	-64.24
CC(C)[N@H+]1CCCCC1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029462376	1	55	0.0	-68.79	400.26	4.14	-64.65
CC(C)[N@@H+]1CCCC1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029462411	0	52	0.0	-65.61	394.07	4.14	-61.47
CC(C)[N@H+]1CCCC1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029462411	1	52	0.0	-69.57	388.59	4.65	-64.92
C[NH+](C)C(CN1C=CC=N1)C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029462418	1	52	0.0	-68.08	408.65	3.10	-64.98
CC(C)[N@@H+]1CCCC1CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029462424	0	55	0.0	-67.74	407.01	3.94	-63.80
CC(C)[N@H+]1CCCC1CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029462424	1	55	0.0	-61.68	408.72	4.60	-57.08
O=C(NC1(C2CN(C(=O)C3CCC[N@@H+]3C3CCCC3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029462425	0	56	0.0	-70.35	418.92	5.28	-65.07
O=C(NC1(C2CN(C(=O)C3CCC[N@H+]3C3CCCC3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029462425	1	56	0.0	-66.98	422.92	5.49	-61.49
CC(C)[C@@H](C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029462452	0	51	0.0	-65.87	376.44	3.98	-61.89
CC1CC[N@H+](CC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029462489	0	49	0.0	-68.94	382.54	3.82	-65.12
CC1CC[N@@H+](CC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029462489	1	49	0.0	-69.26	382.66	3.81	-65.45
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029462490	0	55	0.0	-69.29	416.97	4.35	-64.94
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029462490	1	55	0.0	-64.87	418.18	4.40	-60.47
CC1=[NH+]C=C2CC(C(=O)N3CC(C4(NC(=O)C5=CC(=O)[N-]O5)CC4)C3)CCN21	REAL300029462492	1	51	0.0	-68.08	403.38	4.70	-63.38
C[NH+](C)CCC1=CC=C(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C=C1	REAL300029462494	0	55	0.0	-85.42	431.59	5.66	-79.76
CC1(C)CC[N@H+](CC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029462496	0	52	0.0	-69.65	402.65	4.38	-65.27
CC1(C)CC[N@@H+](CC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029462496	1	52	0.0	-73.37	401.06	4.04	-69.33
C[N@H+](CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)CC(C)(C)C	REAL300029462497	0	54	0.0	-73.90	403.37	4.20	-69.70
C[N@@H+](CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)CC(C)(C)C	REAL300029462497	1	54	0.0	-70.20	407.21	4.70	-65.50
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029462498	0	55	0.0	-77.74	434.67	6.24	-71.50
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029462498	1	55	0.0	-74.10	436.57	6.59	-67.51
CC[C@@H](C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029462510	0	48	0.0	-68.75	367.47	3.15	-65.60
CC(COCC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+]1CCCC1	REAL300029462518	0	56	0.0	-70.72	436.06	4.95	-65.77
CN(CCC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C1=CC=[NH+]C=C1	REAL300029462691	0	51	0.0	-67.11	412.16	3.82	-63.29
CC1=[NH+]C=CN1CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029462824	1	44	0.0	-67.89	366.66	3.73	-64.16
CC(C[NH+]1CCOCC1)C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029462826	0	53	0.0	-72.31	410.24	2.77	-69.54
O=C(CCC[NH+]1CCCCC1)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029462848	0	55	0.0	-72.20	422.80	5.38	-66.82
C[NH+](C)CC1=CC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=NO1	REAL300029462871	1	48	0.0	-79.58	394.42	3.19	-76.39
CC1=C(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C=CC2=C[NH+]=CN21	REAL300029462873	0	47	0.0	-70.28	389.44	5.73	-64.55
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029462927	1	50	0.0	-69.18	401.27	4.53	-64.65
O=C(NC1(C2CN(C(=O)C3CCCC4CCC[N@@H+]43)C2)CC1)C1=CC(=O)[N-]O1	REAL300029462984	0	53	0.0	-63.63	399.58	4.76	-58.87
O=C(NC1(C2CN(C(=O)C3CCCC4CCC[N@H+]43)C2)CC1)C1=CC(=O)[N-]O1	REAL300029462984	1	53	0.0	-64.98	389.25	4.28	-60.70
CC[N@@H+]1CCOC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029463022	1	50	0.0	-67.84	383.15	2.95	-64.89
CC[N@H+]1CCOC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029463022	1	50	0.0	-86.05	386.22	2.77	-83.28
O=C(NC1(C2CN(C(=O)C3=CN4C=[NH+]C=C4C=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029463107	0	44	0.0	-72.30	363.22	5.23	-67.07
CC1=C[NH+]=CN1CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029463112	1	44	0.0	-73.85	365.30	4.13	-69.72
C[NH+](C)CCN1C=C(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C=N1	REAL300029463118	0	52	0.0	-79.15	417.02	3.30	-75.85
C[NH+](C)CCN1C=CC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=N1	REAL300029463134	0	52	0.0	-84.16	419.85	3.67	-80.49
C[C@@H]1[C@H](C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@@H+]1C	REAL300029463141	0	49	0.0	-76.76	373.76	3.10	-73.66
C[C@@H]1[C@H](C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@H+]1C	REAL300029463141	1	49	0.0	-71.72	379.84	3.38	-68.34
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029463144	1	53	0.0	-66.13	423.24	5.34	-60.79
CC[C@@H]1[C@@H](C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@@H+]1C	REAL300029463147	0	52	0.0	-74.29	390.10	3.68	-70.61
CC[C@@H]1[C@@H](C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@H+]1C	REAL300029463147	1	52	0.0	-68.49	396.69	4.26	-64.23
CC1CCC(C)[NH+]1CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029463172	0	52	0.0	-66.39	394.17	4.01	-62.38
O=C(CCC[NH+]1CCCC1)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029463179	0	52	0.0	-72.18	407.27	4.69	-67.49
C[NH+](C)CC1=CC=CC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=C1	REAL300029463180	0	52	0.0	-75.50	411.45	5.19	-70.31
C#CC[NH+]1CCC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029463188	0	51	0.0	-82.12	403.04	4.45	-77.67
O=C(CC[NH+]1CCCCC1)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029463189	0	52	0.0	-71.84	401.45	4.59	-67.25
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029463194	0	52	0.0	-65.66	407.21	5.36	-60.30
CC[N@@H+]1CCCCC1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029463204	0	52	0.0	-63.86	396.78	4.36	-59.50
CC[N@H+]1CCCCC1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029463204	1	52	0.0	-67.25	396.50	4.34	-62.91
CC(C)C(C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+]1CCCCC1	REAL300029463205	0	58	0.0	-64.43	424.10	5.72	-58.71
C[NH+](C)C(C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C1=CC=CC=C1	REAL300029463208	1	52	0.0	-65.33	407.79	5.45	-59.88
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029463217	1	51	0.0	-70.50	409.05	6.21	-64.29
C[NH+](C)CC1(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CCCCC1	REAL300029463266	0	58	0.0	-67.13	414.35	5.66	-61.47
C[NH+](C)CCC1=CC=CC=C1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029463267	0	55	0.0	-64.50	427.76	6.04	-58.46
C[N@H+](CCC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CCCCC1	REAL300029463273	0	58	0.0	-72.81	435.71	5.74	-67.07
C[N@@H+](CCC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CCCCC1	REAL300029463273	1	58	0.0	-72.92	435.85	5.75	-67.17
C[NH+](C)C1(CC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CCCC1	REAL300029463276	0	55	0.0	-73.71	401.06	4.58	-69.13
C[N@H+](CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CCC1	REAL300029463538	0	49	0.0	-68.19	383.49	4.12	-64.07
C[N@@H+](CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CCC1	REAL300029463538	1	49	0.0	-68.63	383.55	4.11	-64.52
CC(C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+]1C(C)CCC1C	REAL300029463575	0	55	0.0	-65.12	408.12	4.48	-60.64
O=C(CCCC[NH+]1CCCC1)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029463595	0	55	0.0	-75.81	426.87	5.11	-70.70
C[N@H+](CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)CC1=CC=CC=C1	REAL300029463598	1	52	0.0	-78.52	412.20	5.38	-73.14
C[N@@H+](CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)CC1=CC=CC=C1	REAL300029463598	1	52	0.0	-78.55	412.24	5.39	-73.16
C[NH+]1CCC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029463616	0	49	0.0	-74.72	379.43	3.58	-71.14
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029463693	0	46	0.0	-72.26	354.67	2.27	-69.99
C[N@H+]1CCC[C@@H]1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029463693	1	46	0.0	-67.12	361.25	3.09	-64.03
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029463719	1	48	0.0	-72.07	380.69	3.58	-68.49
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029463719	1	48	0.0	-67.64	386.53	4.29	-63.35
C[N@@H+]1CCCC1CCC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029463729	0	52	0.0	-75.58	404.81	4.66	-70.92
C[N@H+]1CCCC1CCC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029463729	1	52	0.0	-75.12	400.97	4.48	-70.64
O=C(NC1(C2CN(C(=O)C34CCC[NH+](CCC3)C4)C2)CC1)C1=CC(=O)[N-]O1	REAL300029463743	0	53	0.0	-75.82	386.80	3.95	-71.87
O=C(NC1(C2CN(C(=O)C3CCC4CCCC[N@@H+]43)C2)CC1)C1=CC(=O)[N-]O1	REAL300029463751	0	53	0.0	-65.37	397.67	4.59	-60.78
O=C(NC1(C2CN(C(=O)C3CCC4CCCC[N@H+]43)C2)CC1)C1=CC(=O)[N-]O1	REAL300029463751	1	53	0.0	-64.85	402.79	4.94	-59.91
CCC[N@@H+]1CCCC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029463857	0	55	0.0	-74.91	420.14	4.73	-70.18
CCC[N@H+]1CCCC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029463857	1	55	0.0	-70.31	416.49	4.93	-65.38
CC(C)[N@@H+]1CCOC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029463881	0	53	0.0	-75.19	397.77	3.45	-71.74
CC(C)[N@H+]1CCOC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029463881	1	53	0.0	-66.73	399.84	3.47	-63.26
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029463902	0	56	0.0	-71.64	409.62	2.45	-69.19
C[N@@H+]1CCCCC1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029463923	0	49	0.0	-71.41	364.40	2.99	-68.42
C[N@H+]1CCCCC1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029463923	1	49	0.0	-72.15	365.89	2.99	-69.16
CC(C)C[N@@H+]1CCCC1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029463958	0	55	0.0	-69.18	410.26	5.48	-63.70
CC(C)C[N@H+]1CCCC1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029463958	1	55	0.0	-67.56	421.10	5.26	-62.30
O=C(C[NH+]1CCC(CO)CC1)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029463979	0	53	0.0	-71.70	411.08	1.30	-70.40
C[NH+]1C2CCC1CC(=CC(=O)N1CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C1)C2	REAL300029464021	0	54	0.0	-71.61	410.36	5.08	-66.53
CC1C(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@@H+]1C	REAL300029464043	0	49	0.0	-68.66	381.30	3.58	-65.08
CC1C(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@H+]1C	REAL300029464043	1	49	0.0	-68.82	377.82	3.30	-65.52
C[N@@H+]1CCCCC1CCC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029464047	0	55	0.0	-75.59	411.14	4.89	-70.70
C[N@H+]1CCCCC1CCC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029464047	1	55	0.0	-72.62	411.15	4.88	-67.74
NC1=[NH+]C2=C(C=C1C(=O)N1CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C1)CCC2	REAL300029464092	1	49	0.0	-63.60	390.70	2.89	-60.71
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029464184	0	52	0.0	-67.06	377.36	3.23	-63.83
CC(C)(C)[N@H+]1CCC1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029464184	1	52	0.0	-71.22	396.58	3.62	-67.60
O=C(NC1(C2CN(C(=O)C3CCN(C4=CC=[NH+]C=C4)C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029464204	0	52	0.0	-71.64	411.94	2.62	-69.02
C[C@@H](C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029464209	0	45	0.0	-70.06	354.92	2.52	-67.54
C[NH+](C)CC1=CC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=CC=N1	REAL300029464231	1	51	0.0	-72.40	407.21	3.36	-69.04
C=CCC(C)(C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029464237	0	52	0.0	-71.30	384.22	3.80	-67.50
CC[NH+](CC)CCSCC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029464271	0	55	0.0	-78.52	433.68	4.83	-73.69
NC1=C(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C=[NH+]C2=CC=CC=C21	REAL300029464272	1	48	0.0	-65.31	388.07	2.32	-62.99
O=C(CC[NH+]1CCCC1)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029464277	0	49	0.0	-71.90	385.76	3.88	-68.02
C[N@H+](CCO)CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029464287	1	46	0.0	-75.01	363.62	-0.77	-75.78
C[N@@H+](CCO)CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029464287	1	46	0.0	-70.41	365.31	-0.41	-70.82
O=C(NC1(C2CN(C(=O)C3C[N@@H+]4CCN3CCC4)C2)CC1)C1=CC(=O)[N-]O1	REAL300029464333	0	52	0.0	-79.87	383.57	1.09	-78.78
O=C(NC1(C2CN(C(=O)C3C[N@H+]4CCN3CCC4)C2)CC1)C1=CC(=O)[N-]O1	REAL300029464333	1	52	0.0	-83.66	380.43	1.70	-81.96
CC(C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+]1CCSCC1	REAL300029464370	1	50	0.0	-71.57	390.60	3.88	-67.69
C[N@H+]1CC=C(CC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029464425	0	50	0.0	-70.73	396.36	4.47	-66.26
C[N@@H+]1CC=C(CC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029464425	1	50	0.0	-69.25	396.66	4.48	-64.77
C[S+](C)CCC(O)C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029464445	0	48	0.0	-80.20	397.92	1.62	-78.58
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029464473	0	50	0.0	-68.44	378.13	-0.09	-68.53
C[N@H+]1CC(O)CC1(C)C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029464473	1	50	0.0	-70.04	378.11	0.10	-69.94
CN1CC[N@H+](C)CC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029464491	0	54	0.0	-74.19	405.79	1.83	-72.36
CN1CC[N@@H+](C)CC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029464491	1	54	0.0	-68.93	405.18	2.06	-66.87
CC(C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[N@@H+]1CCCC(O)C1	REAL300029464492	0	53	0.0	-71.25	405.95	0.67	-70.58
CC(C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[N@H+]1CCCC(O)C1	REAL300029464492	1	53	0.0	-70.00	407.67	1.01	-68.99
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029464529	0	49	0.0	-66.39	397.78	2.94	-63.45
C[N@@H+]1CCCC(O)(CC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029464537	0	53	0.0	-69.36	396.12	2.00	-67.36
C[N@H+]1CCCC(O)(CC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029464537	1	53	0.0	-70.96	395.17	2.43	-68.53
CC1C[NH+](CC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029464544	1	46	0.0	-70.85	367.45	3.32	-67.53
CC[N@@H+]1CCCC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029464552	0	52	0.0	-67.13	389.24	4.06	-63.07
CC[N@H+]1CCCC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029464552	1	52	0.0	-69.69	394.96	4.19	-65.50
NC1=[NH+]C=CC=C1CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029464566	0	45	0.0	-69.74	369.78	1.61	-68.13
O=C(NC1(C2CN(C(=O)C3CCC[N@@H+]3C3CC3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029464582	0	50	0.0	-69.15	389.84	4.31	-64.84
O=C(NC1(C2CN(C(=O)C3CCC[N@H+]3C3CC3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029464582	1	50	0.0	-72.80	386.28	4.04	-68.76
O=C(C=CC[NH+]1CCCC1)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029464645	0	50	0.0	-73.90	399.46	4.54	-69.36
O=C(NC1(C2CN(C(=O)C3CC[NH+](C4CC4)CC3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029464677	0	53	0.0	-74.24	402.12	4.78	-69.46
CC[N@H+](C)CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029464735	0	45	0.0	-73.78	353.27	2.47	-71.31
O=C(CN1CC2C=CC1C2)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029464814	0	48	0.0	-67.12	376.35	3.99	-63.13
O=C(C[N@@H+]1CC2C=CC1C2)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029464814	1	48	0.0	-68.14	376.34	4.08	-64.06
O=C(C[N@H+]1CC2C=CC1C2)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029464814	1	48	0.0	-68.14	376.34	4.08	-64.06
CC1=CC=C(NCCC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)N=C1	REAL300029464839	0	51	0.0	-67.63	416.31	3.57	-64.06
CC1=CC=C(NCCC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)[NH+]=C1	REAL300029464839	1	51	0.0	-67.63	416.31	3.57	-64.06
O=C(NC1(C2CN(C(=O)C3C[NH+]4CCN3CC4)C2)CC1)C1=CC(=O)[N-]O1	REAL300029464923	0	49	0.0	-73.94	371.95	0.47	-73.47
O=C(NC1(C2CN(C(=O)C34CCC[N@@H+]3CCCC4)C2)CC1)C1=CC(=O)[N-]O1	REAL300029464984	0	53	0.0	-68.53	385.45	3.98	-64.55
O=C(NC1(C2CN(C(=O)C34CCC[N@H+]3CCCC4)C2)CC1)C1=CC(=O)[N-]O1	REAL300029464984	1	53	0.0	-69.61	387.72	3.95	-65.66
O=C(NC1(C2CN(C(=O)C34CCC[N@@H+]3CC=CC4)C2)CC1)C1=CC(=O)[N-]O1	REAL300029464996	0	51	0.0	-63.70	380.87	3.90	-59.80
O=C(NC1(C2CN(C(=O)C34CCC[N@H+]3CC=CC4)C2)CC1)C1=CC(=O)[N-]O1	REAL300029464996	1	51	0.0	-64.45	382.03	4.09	-60.36
CC(OCC[NH+](C)C)C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029465010	0	52	0.0	-67.87	408.49	3.77	-64.10
C[NH+](C)CCOCCC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029465023	0	52	0.0	-72.68	414.25	2.96	-69.72
COCC[N@H+](C)CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029465025	1	49	0.0	-69.93	387.56	2.00	-67.93
COCC[N@@H+](C)CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029465025	1	49	0.0	-75.22	385.87	1.63	-73.59
O=C(NC1(C2CN(C(=O)C3C[NH+](C4CCOC4)C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029465027	0	51	0.0	-77.26	403.92	2.51	-74.75
CC(CCC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029465032	0	51	0.0	-76.39	391.07	3.89	-72.50
C[NH+]1CCC(=CC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029465062	0	50	0.0	-71.78	390.86	4.41	-67.37
CC[N@H+](CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300029465075	0	49	0.0	-66.50	386.64	4.19	-62.31
CC[N@@H+](CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300029465075	1	49	0.0	-68.71	378.78	4.06	-64.65
C[NH+](C)C1(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CCCSC1	REAL300029465080	0	53	0.0	-74.90	395.48	4.58	-70.32
CC1C[N@@H+]2CCN1C(C(=O)N1CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C1)C2	REAL300029465095	0	52	0.0	-73.48	388.68	1.06	-72.42
CC1C[N@H+]2CCN1C(C(=O)N1CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C1)C2	REAL300029465095	1	52	0.0	-73.56	388.80	1.04	-72.52
C[N@@H+]1CC2CC1(C(=O)N1CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C1)C2	REAL300029465134	0	47	0.0	-73.86	362.74	3.31	-70.55
C[N@H+]1CC2CC1(C(=O)N1CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C1)C2	REAL300029465134	1	47	0.0	-71.88	364.53	3.29	-68.59
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029465146	1	49	0.0	-74.56	400.36	2.45	-72.11
O=C(C[N@@H+]1CC2CCC1C2)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029465155	0	50	0.0	-67.84	381.29	4.01	-63.83
O=C(C[N@H+]1CC2CCC1C2)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029465155	1	50	0.0	-68.21	384.03	4.26	-63.95
CC(C)[NH+]1CCC(CC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029465173	0	58	0.0	-70.00	431.16	5.47	-64.53
CC(C[NH+](C)C)C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029465189	0	48	0.0	-73.00	373.22	3.18	-69.82
C[NH+](C)C1(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029465210	0	46	0.0	-76.08	360.56	2.79	-73.29
C[C@H](C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029465243	0	45	0.0	-67.13	355.65	2.54	-64.59
CC[N@@H+]1CCC1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029465257	0	46	0.0	-67.62	361.98	2.87	-64.75
CC[N@H+]1CCC1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029465257	1	46	0.0	-69.59	369.16	3.18	-66.41
CC(C)[N@@H+]1CCCC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029465275	0	55	0.0	-65.33	407.13	4.75	-60.58
CC(C)[N@H+]1CCCC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029465275	1	55	0.0	-62.08	405.44	4.56	-57.52
CCC(C)(C)[NH2+]C(C)C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029465303	0	54	0.0	-69.70	401.87	2.79	-66.91
C#CC[N@H+]1CCCCC1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029465363	1	51	0.0	-71.57	391.21	4.18	-67.39
C#CC[N@@H+]1CCCCC1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029465363	1	51	0.0	-68.23	392.90	4.53	-63.70
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029465367	1	48	0.0	-63.83	385.13	2.82	-61.01
NC1=CC=[NH+]C=C1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029465368	0	42	0.0	-70.08	343.91	0.20	-69.88
C[NH+](C)C(CC1=CC=CC=C1)C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029465374	0	55	0.0	-71.99	424.27	6.01	-65.98
CCCC(C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029465381	0	51	0.0	-69.85	388.88	3.90	-65.95
C[NH+](C)C(C)(C)C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029465389	0	48	0.0	-71.27	359.86	3.21	-68.06
CC(CC[NH+](C)C)C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029465416	0	51	0.0	-73.36	394.85	3.81	-69.55
O=C(NC1(C2CN(C(=O)[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2)CC1)C1=CC(=O)[N-]O1	REAL300029465485	0	56	0.0	-75.71	403.52	4.34	-71.37
O=C(NC1(C2CN(C(=O)[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2)CC1)C1=CC(=O)[N-]O1	REAL300029465485	1	56	0.0	-66.52	407.12	5.13	-61.39
O=C(NC1(C2CN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029465526	0	51	0.0	-67.79	395.07	4.58	-63.21
O=C(NC1(C2CN(C(=O)C34CC(C3)C[N@H+]4C3CC3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029465526	1	51	0.0	-69.33	390.68	5.44	-63.89
COCCCC[N@H+](C)CCC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029465578	0	58	0.0	-77.15	454.20	3.98	-73.17
COCCCC[N@@H+](C)CCC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029465578	1	58	0.0	-76.89	454.06	3.96	-72.93
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029465590	0	52	0.0	-70.56	400.36	3.98	-66.58
C[N@H+]1CC(C)(C)CC1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029465590	1	52	0.0	-70.52	397.94	3.99	-66.53
C[NH+](C)CCCCCC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029465596	0	54	0.0	-73.73	424.30	5.07	-68.66
O=C(CC[NH+]1CCC(O)CC1)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029465602	0	53	0.0	-75.35	412.54	1.25	-74.10
CCC[N@@H+]1CCCCC1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029465608	0	55	0.0	-70.53	416.23	4.75	-65.78
CCC[N@H+]1CCCCC1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029465608	1	55	0.0	-71.22	405.16	4.37	-66.85
CC[NH+]1CCN(CCC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029465619	0	57	0.0	-75.79	434.14	2.46	-73.33
CCN1CC[NH+](CCC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029465619	1	57	0.0	-76.83	432.98	2.33	-74.50
C[NH+]1CCN(CC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029465623	1	51	0.0	-72.64	396.55	1.64	-71.00
CC(C)C[NH+]1CCC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029465766	0	58	0.0	-79.06	434.46	5.33	-73.73
CC1C[N@H+](C)CC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)O1	REAL300029465769	1	50	0.0	-83.93	384.72	3.18	-80.75
CC1C[N@@H+](C)CC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)O1	REAL300029465769	1	50	0.0	-68.77	386.47	3.04	-65.73
CCC1CCC[N@H+](CC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029465811	0	55	0.0	-70.05	418.52	5.27	-64.78
CCC1CCC[N@@H+](CC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029465811	1	55	0.0	-74.13	416.02	5.01	-69.12
C[NH+](C)CC1=CC=C(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)N1	REAL300029465822	0	50	0.0	-83.34	399.79	3.56	-79.78
O=C(C[NH+]1CC2CC2C1)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029465847	0	47	0.0	-73.97	371.00	3.68	-70.29
O=C(CC1([NH+]2CCCC2)CC1)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029465870	0	53	0.0	-67.85	402.32	4.88	-62.97
CC([NH2+]C1(CO)CCCC1)C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029465893	0	56	0.0	-69.92	417.01	0.07	-69.85
C[N@@H+]1CCCCC1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029465930	0	49	0.0	-71.41	364.40	2.99	-68.42
C[N@H+]1CCCCC1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029465930	1	49	0.0	-72.15	365.89	2.99	-69.16
O=C(NC1(C2CN(C(=O)C3CC[N@@H+]3CC3=CC=CC=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029465938	1	53	0.0	-68.23	418.18	5.59	-62.64
O=C(NC1(C2CN(C(=O)C3CC[N@H+]3CC3=CC=CC=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029465938	1	53	0.0	-73.83	429.08	6.15	-67.68
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029465945	0	58	0.0	-70.24	436.11	5.62	-64.62
CC(C)C[N@H+]1CCCC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029465945	1	58	0.0	-64.22	429.72	5.82	-58.40
C[NH+](C)C1CCN(CC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029466020	0	57	0.0	-71.59	430.53	2.83	-68.76
C[N@@H+]1CCC(=CC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029466102	0	47	0.0	-75.45	376.16	3.69	-71.76
C[N@H+]1CCC(=CC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029466102	1	47	0.0	-75.31	375.08	3.70	-71.61
O=C(CNC1=CC=[NH+]C=C1)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029466110	0	45	0.0	-71.52	373.16	1.42	-70.10
CC[NH+]1CCN(CC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029466183	0	54	0.0	-69.88	413.96	2.31	-67.57
O=C(C=C1C[NH+]2CCC1CC2)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029466186	0	51	0.0	-69.94	391.81	4.19	-65.75
C[NH+](C)C1(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CCCC1	REAL300029466242	0	52	0.0	-70.58	386.09	4.19	-66.39
C[N@H+](CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[C@@H]1CCC[C@H]1O	REAL300029466259	0	53	0.0	-65.67	407.70	1.56	-64.11
C[N@@H+](CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[C@@H]1CCC[C@H]1O	REAL300029466259	1	53	0.0	-68.79	408.42	1.35	-67.44
CCC1C[NH+](CC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029466267	0	49	0.0	-71.21	389.99	3.96	-67.25
O=C(NC1(C2CN(C(=O)C3C[NH+](C4CCOCC4)C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029466271	0	54	0.0	-74.88	420.91	3.15	-71.73
O=C(NC1(C2CN(C(=O)C3([NH+]4CCCC4)CCC3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029466274	0	53	0.0	-71.51	394.99	4.69	-66.82
C[N@@H+]1CCC[C@H]1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029466291	0	46	0.0	-70.66	360.44	2.69	-67.97
C[N@H+]1CCC[C@H]1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029466291	1	46	0.0	-67.29	356.45	2.64	-64.65
CC[N@@H+]1CCOCC1CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029466333	0	53	0.0	-71.34	401.27	2.47	-68.87
O=C(NC1(C2CN(C(=O)C3=CC(=O)NC4=C3CCC[NH2+]4)C2)CC1)C1=CC(=O)[N-]O1	REAL300029466342	0	50	0.0	-90.05	403.26	1.24	-88.81
O=C(NC1(C2CN(C(=O)C3C[NH+](C4CCCCC4)C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029466362	0	56	0.0	-75.26	429.40	5.51	-69.75
COC1C[N@@H+]2CCCC2(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029466384	0	54	0.0	-66.74	404.91	2.63	-64.11
COC1C[N@H+]2CCCC2(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029466384	1	54	0.0	-66.74	404.91	2.63	-64.11
NC1=NC2=CC(C(=O)N3CC(C4(NC(=O)C5=CC(=O)[N-]O5)CC4)C3)=CC=C2N1	REAL300029466461	0	46	0.0	-71.85	377.22	2.93	-68.92
NC1=[NH+]C2=CC(C(=O)N3CC(C4(NC(=O)C5=CC(=O)[N-]O5)CC4)C3)=CC=C2N1	REAL300029466461	1	46	0.0	-71.85	377.22	2.93	-68.92
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029466517	0	49	0.0	-76.35	385.05	3.52	-72.83
C[NH+](C)CCC1(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CCCC1	REAL300029466530	0	58	0.0	-78.04	429.79	5.07	-72.97
CC1CCCC(C)[NH+]1CCC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029466532	0	58	0.0	-68.91	428.02	5.25	-63.66
C[NH+](C)C1CCC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029466535	0	55	0.0	-63.18	407.10	4.60	-58.58
C[NH+](C)CCC1(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029466536	0	52	0.0	-68.02	410.75	4.58	-63.44
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029466541	0	55	0.0	-62.69	406.44	4.56	-58.13
C[N@@H+]1CC=CCC1CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029466542	0	50	0.0	-73.39	388.74	4.22	-69.17
C[N@H+]1CC=CCC1CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029466542	1	50	0.0	-78.38	386.60	3.85	-74.53
CC1=CC(C=CC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=C[NH+]=C1N	REAL300029466615	1	49	0.0	-74.11	402.36	3.10	-71.01
C[NH+](C)CCOCC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029466632	0	49	0.0	-74.11	391.41	2.90	-71.21
CCCCC[N@H+](C)CCC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029466639	0	57	0.0	-73.89	441.88	5.67	-68.22
CCCCC[N@@H+](C)CCC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029466639	1	57	0.0	-73.98	442.03	5.68	-68.30
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)O1	REAL300029466654	0	53	0.0	-73.27	415.58	4.07	-69.20
[NH2+]=C1SC=CN1CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029466689	0	42	0.0	-70.41	362.60	1.98	-68.43
C[C@@H](OCC[NH+](C)C)C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029466792	0	52	0.0	-67.80	408.61	3.77	-64.03
O=C(CC[NH+]1CCCCCC1)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029466875	0	55	0.0	-73.38	411.44	4.78	-68.60
O=C(C[NH+]1CCCCC1)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029466880	0	49	0.0	-69.72	379.17	4.01	-65.71
C[N@@H+]1CCCC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029466882	0	49	0.0	-63.86	373.13	3.74	-60.12
C[N@H+]1CCCC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029466882	1	49	0.0	-72.39	379.52	3.55	-68.84
O=C(C[NH+]1CCC(CO)CC1)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029466884	0	53	0.0	-71.70	411.08	1.30	-70.40
O=C(C[NH+]1CCCCCC1)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029466890	0	52	0.0	-68.91	388.40	4.19	-64.72
CN1C=C[N+](CC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=C1	REAL300029466897	0	44	0.0	-69.25	368.66	5.65	-63.60
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029466918	0	58	0.0	-73.00	420.59	4.83	-68.17
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029466918	1	58	0.0	-73.25	412.83	4.38	-68.87
C[NH+](C)CC1=CC=C(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)O1	REAL300029466924	1	49	0.0	-77.37	399.98	3.92	-73.45
C[NH+](C)CC1=CC=C(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C=N1	REAL300029466933	0	51	0.0	-78.41	407.24	3.35	-75.06
O=C(C[NH+]1CCC(O)CC1)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029466954	1	50	0.0	-73.89	390.10	0.65	-73.24
C[N@H+](CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300029466961	0	46	0.0	-67.54	366.73	3.56	-63.98
C[N@@H+](CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300029466961	1	46	0.0	-67.63	366.72	3.55	-64.08
CC(C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)N1CC[NH+](C)CC1	REAL300029466963	1	54	0.0	-70.11	405.85	1.75	-68.36
O=C(CC[N@H+]1CCC(F)C1)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029466969	0	49	0.0	-76.11	391.81	3.95	-72.16
O=C(CC[N@@H+]1CCC(F)C1)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029466969	1	49	0.0	-76.37	391.89	3.97	-72.40
COC1C[N@H+](C)C(C)(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029466986	0	53	0.0	-71.05	399.87	2.30	-68.75
COC1C[N@@H+](C)C(C)(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029466986	1	53	0.0	-74.84	402.66	1.96	-72.88
C[NH+](C)CCC1=CC=CC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=C1	REAL300029467008	0	55	0.0	-76.79	433.95	6.04	-70.75
CC(CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C[NH+](C)C	REAL300029467014	0	51	0.0	-73.01	394.45	4.17	-68.84
O=C(NC1(C2CN(C(=O)C3CC[N@@H+]4CCOCC34)C2)CC1)C1=CC(=O)[N-]O1	REAL300029467037	0	51	0.0	-73.98	395.63	2.36	-71.62
O=C(NC1(C2CN(C(=O)C3CC[N@H+]4CCOCC34)C2)CC1)C1=CC(=O)[N-]O1	REAL300029467037	1	51	0.0	-67.33	391.36	2.40	-64.93
CC1=[NH+]C=C2C=CC(C(=O)N3CC(C4(NC(=O)C5=CC(=O)[N-]O5)CC4)C3)=CN21	REAL300029467046	0	47	0.0	-68.37	384.46	4.97	-63.40
C[N@@H+]1CCOCC1CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029467070	1	50	0.0	-76.78	388.07	1.96	-74.82
C[N@H+]1CCOCC1CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029467070	1	50	0.0	-77.40	388.16	1.96	-75.44
C[NH+](C)CC(C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C1=CC=CC=C1	REAL300029467080	0	55	0.0	-75.80	431.08	5.98	-69.82
CC[NH+]1CCN(CC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029467086	0	54	0.0	-69.88	413.96	2.31	-67.57
CC1=CC(N)=[NH+]C=C1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029467160	1	45	0.0	-70.75	366.15	1.43	-69.32
NC1=CC=C(CCC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C=[NH+]1	REAL300029467163	0	48	0.0	-71.12	396.31	2.63	-68.49
CC1(O)CC[N@H+](CC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029467231	0	50	0.0	-70.99	393.74	0.56	-70.43
CC1(O)CC[N@@H+](CC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029467231	1	50	0.0	-69.89	393.83	0.55	-69.34
C[NH+](C)CCN1N=CC=C1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029467242	0	52	0.0	-66.11	412.06	3.30	-62.81
C[NH+]1CC(CC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029467282	0	46	0.0	-71.47	368.71	2.98	-68.49
O=C(NC1(C2CN(C(=O)C3CC[N@@H+]3C3CCCC3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029467288	0	53	0.0	-70.92	409.70	5.11	-65.81
O=C(NC1(C2CN(C(=O)C3CC[N@H+]3C3CCCC3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029467288	1	53	0.0	-68.98	402.32	4.57	-64.41
C[NH+](C)CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029467298	0	42	0.0	-70.95	337.43	2.14	-68.81
C[N@H+](CCO)CCC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029467345	0	49	0.0	-71.76	387.88	0.15	-71.61
C[N@@H+](CCO)CCC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029467345	1	49	0.0	-71.42	387.70	0.13	-71.29
C[C@@H](C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029467346	0	45	0.0	-70.06	354.92	2.52	-67.54
C[N@@H+]1CCCCC1CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029467374	0	52	0.0	-61.89	389.00	4.17	-57.72
C[N@H+]1CCCCC1CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029467374	1	52	0.0	-72.81	396.45	4.32	-68.49
CC1=C2C=C(C(=O)N3CC(C4(NC(=O)C5=CC(=O)[N-]O5)CC4)C3)C=CN2C=[NH+]1	REAL300029467408	1	47	0.0	-74.25	385.24	5.78	-68.47
CC(C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+]1CC(C)C1	REAL300029467409	0	49	0.0	-66.49	387.90	3.82	-62.67
CC1CC[N@@H+]1CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029467415	0	46	0.0	-68.11	363.16	2.96	-65.15
CC1CC[N@H+]1CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029467415	1	46	0.0	-68.39	368.65	3.26	-65.13
C[NH+](C)CC=CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029467436	0	46	0.0	-76.66	373.15	3.34	-73.32
CC1(C)C[NH+](CC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029467452	1	49	0.0	-70.54	388.14	3.77	-66.77
O=C(CCCC[NH+]1CCCCC1)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029467466	0	58	0.0	-75.98	442.08	5.80	-70.18
CC1=C(C)[NH+]=C(CCC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)N1	REAL300029467481	1	50	0.0	-66.51	407.67	3.44	-63.07
C[NH+]1CCC(C2(C(=O)N3CC(C4(NC(=O)C5=CC(=O)[N-]O5)CC4)C3)CC2)CC1	REAL300029467495	0	56	0.0	-64.37	428.68	5.69	-58.68
CC1=C2C=C(C(=O)N3CC(C4(NC(=O)C5=CC(=O)[N-]O5)CC4)C3)C=CN2C=[NH+]1	REAL300029467505	1	47	0.0	-74.25	385.24	5.78	-68.47
C[NH+](C)CCSCC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029467518	0	49	0.0	-80.41	402.43	3.75	-76.66
CC(C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300029467539	0	55	0.0	-76.01	430.05	5.74	-70.27
CC(C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300029467539	1	55	0.0	-75.23	430.03	5.76	-69.47
NC1=[NH+]C2=C(C=C1C(=O)N1CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C1)CCCC2	REAL300029467543	1	52	0.0	-62.30	406.47	3.52	-58.78
O=C(C[N@H+]1CCCC1CO)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029467551	0	50	0.0	-69.28	391.54	0.62	-68.66
O=C(C[N@@H+]1CCCC1CO)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029467551	1	50	0.0	-70.25	381.35	0.32	-69.93
CC[NH+](CC)CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029467554	0	48	0.0	-68.12	373.53	3.49	-64.63
C[N@H+](CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CCSC1	REAL300029467567	0	50	0.0	-74.88	398.03	4.36	-70.52
C[N@@H+](CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CCSC1	REAL300029467567	1	50	0.0	-80.31	394.87	4.03	-76.28
O=C(C[NH+]1CCC1)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029467569	1	43	0.0	-70.29	347.83	2.63	-67.66
CC[NH+](CC)CCC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029467635	0	51	0.0	-71.76	391.03	3.81	-67.95
NC(=O)C1CC[NH+](CC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029467661	0	53	0.0	-80.74	414.93	0.67	-80.07
C[NH+](C)CC1=CNC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=C1	REAL300029467720	0	50	0.0	-77.10	399.59	3.40	-73.70
CC(C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+]1CCC(O)CC1	REAL300029467746	0	53	0.0	-72.32	407.58	1.01	-71.31
O=C(NC1(C2CN(C(=O)C3CC4COCC[N@@H+]4C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029467754	0	51	0.0	-73.16	394.57	2.38	-70.78
O=C(NC1(C2CN(C(=O)C3CC4COCC[N@H+]4C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029467754	1	51	0.0	-73.60	393.17	2.12	-71.48
CC(C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+]1CCC1	REAL300029467776	0	46	0.0	-65.73	359.46	2.78	-62.95
CCC(CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C[NH+](C)C	REAL300029467788	0	54	0.0	-68.36	410.77	4.41	-63.95
NC1=CC=C(C=CC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C=[NH+]1	REAL300029467797	0	46	0.0	-79.05	382.75	1.99	-77.06
C[NH+](C)CC(C)(C)C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029467798	0	51	0.0	-72.12	378.80	3.41	-68.71
C[NH+](C)C(CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C1=CC=CC=C1	REAL300029467843	0	55	0.0	-77.41	427.35	6.16	-71.25
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029467881	0	49	0.0	-66.60	365.96	3.29	-63.31
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029467881	1	49	0.0	-70.17	377.16	3.38	-66.79
CC1CN2CC[N@@H+]1CC2C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029467898	0	52	0.0	-70.89	388.61	0.98	-69.91
CC1CN2CC[N@H+]1CC2C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029467898	1	52	0.0	-79.01	386.89	0.66	-78.35
C[NH+](C)CC(O)CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029467931	0	49	0.0	-79.90	388.24	0.82	-79.08
C[NH+]1C2CCC1CC(C(=O)N1CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C1)C2	REAL300029467934	0	53	0.0	-65.65	374.58	4.31	-61.34
C=CCC(C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029467988	0	49	0.0	-67.88	380.64	3.61	-64.27
O=C(NC1(C2CN(C(=O)C3CC4CCCC[N@@H+]4C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029468003	0	53	0.0	-69.96	403.21	4.77	-65.19
O=C(NC1(C2CN(C(=O)C3CC4CCCC[N@H+]4C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029468003	1	53	0.0	-77.15	401.12	4.44	-72.71
C[NH+]1CCC(C)(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029468020	0	52	0.0	-65.71	387.76	3.74	-61.97
C[NH+]1CCC(O)(CC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029468026	0	53	0.0	-72.01	408.08	2.51	-69.50
COCC[N@@H+]1CCCC1CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029468042	0	56	0.0	-70.65	426.48	3.46	-67.19
COCC[N@H+]1CCCC1CC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029468042	1	56	0.0	-69.88	435.87	3.61	-66.27
C[NH+]1C2CCC1CC(CC(=O)N1CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C1)C2	REAL300029468057	0	56	0.0	-75.45	401.21	4.26	-71.19
C[NH+](C)CCN1N=CC=C1C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029468094	0	52	0.0	-68.91	415.28	3.54	-65.37
C[NH+]1CCC(C2(C(=O)NC3(C4CN(C(=O)C5=CC(=O)[N-]O5)C4)CC3)CC2)CC1	REAL300029468135	0	56	0.0	-71.72	422.75	5.58	-66.14
CC1=C2C=C(C(=O)NC3(C4CN(C(=O)C5=CC(=O)[N-]O5)C4)CC3)C=CN2C=[NH+]1	REAL300029468146	1	47	0.0	-70.53	387.85	6.12	-64.41
C[NH+](C)CCSCC(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029468156	0	49	0.0	-76.94	400.51	3.61	-73.33
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC2COCC[N@@H+]2C1	REAL300029468166	0	51	0.0	-70.86	394.27	2.40	-68.46
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC2COCC[N@H+]2C1	REAL300029468166	1	51	0.0	-71.87	392.05	2.05	-69.82
C[N@@H+]1CCCC1C(=O)NC1CCCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029468283	0	58	0.0	-60.95	412.16	4.97	-55.98
C[N@H+]1CCCC1C(=O)NC1CCCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029468283	1	58	0.0	-63.62	406.43	4.65	-58.97
CCC(C(=O)NC1CCCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029468396	0	60	0.0	-73.98	418.48	5.49	-68.49
CCC[N@H+](C)CC(=O)NC1CCCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029468401	0	60	0.0	-71.00	424.61	5.89	-65.11
CCC[N@@H+](C)CC(=O)NC1CCCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029468401	1	60	0.0	-71.15	424.61	5.87	-65.28
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029468407	0	58	0.0	-71.40	405.04	5.02	-66.38
C[N@H+]1CCC[C@@H]1C(=O)NC1CCCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029468407	1	58	0.0	-71.59	410.37	5.51	-66.08
CC[NH+](CC)CC(=O)NC1CCCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029468410	0	60	0.0	-62.48	417.28	5.08	-57.40
CC[N@H+](C)CCC(=O)NC1CCCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029468454	0	60	0.0	-72.52	425.48	5.67	-66.85
CC[N@@H+](C)CCC(=O)NC1CCCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029468454	1	60	0.0	-72.34	425.47	5.68	-66.66
CC[C@@H](C(=O)NC1CCCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029468457	0	60	0.0	-62.82	415.12	5.15	-57.67
C[NH+](C)CC(=O)NC1CCCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029468474	0	54	0.0	-65.46	386.73	4.13	-61.33
CC(C(=O)NC1CCCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+]1CCC1	REAL300029468479	1	58	0.0	-68.80	413.46	5.55	-63.25
C[N@H+](CC(=O)NC1CCCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300029468486	0	58	0.0	-67.87	414.64	5.87	-62.00
C[N@@H+](CC(=O)NC1CCCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300029468486	1	58	0.0	-62.76	416.14	5.54	-57.22
C[NH+]1CC(CC(=O)NC2CCCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029468491	0	58	0.0	-66.50	418.18	4.95	-61.55
C[C@@H](C(=O)NC1CCCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029468500	0	57	0.0	-69.00	402.02	4.86	-64.14
C[C@@H](C(=O)NC1CCCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029468522	0	57	0.0	-69.00	402.02	4.86	-64.14
C[C@H](C(=O)NC1CCCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029468549	0	57	0.0	-73.93	403.85	4.83	-69.10
CC1C[NH+](CC(=O)NC2CCCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029468557	1	58	0.0	-64.94	416.81	5.30	-59.64
C[N@H+](CCO)CC(=O)NC1CCCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029468567	1	58	0.0	-65.46	414.81	1.56	-63.90
C[N@@H+](CCO)CC(=O)NC1CCCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029468567	1	58	0.0	-70.89	412.95	1.75	-69.14
CC[N@H+](C)CC(=O)NC1CCCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029468573	0	57	0.0	-70.72	403.11	5.14	-65.58
CC[N@@H+](C)CC(=O)NC1CCCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029468573	1	57	0.0	-64.58	404.46	4.80	-59.78
C[NH+](C)CC=CC(=O)NC1CCCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029468591	0	58	0.0	-69.18	423.96	5.38	-63.80
CC[N@@H+]1CCC1C(=O)NC1CCCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029468596	1	58	0.0	-74.61	417.04	5.43	-69.18
CC[N@H+]1CCC1C(=O)NC1CCCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029468596	1	58	0.0	-74.18	417.03	5.48	-68.70
CC(C[NH+](C)C)C(=O)NC1CCCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029468646	0	60	0.0	-72.37	423.78	5.72	-66.65
CC1CC[N@@H+]1CC(=O)NC1CCCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029468657	1	58	0.0	-62.07	412.25	4.83	-57.24
CC1CC[N@H+]1CC(=O)NC1CCCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029468657	1	58	0.0	-62.88	412.49	4.94	-57.94
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C=CCC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC2=CC=CC=C21)[NH+](C)C	REAL300029470301	0	55	0.0	-64.68	418.98	5.44	-59.24
O=C(C[NH+]1CC2CC2C1)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC2=CC=CC=C21	REAL300029470308	0	53	0.0	-67.79	412.33	5.91	-61.88
C[NH+](C)C(C)(C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC2=CC=CC=C21	REAL300029470313	0	54	0.0	-67.30	403.44	5.09	-62.21
C[N@@H+]1CCCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC2=CC=CC=C21	REAL300029470323	0	55	0.0	-66.00	408.73	5.40	-60.60
C[N@H+]1CCCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC2=CC=CC=C21	REAL300029470323	1	55	0.0	-65.83	410.07	5.40	-60.43
C[NH+](C)C1(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC3=CC=CC=C32)CC1	REAL300029470355	0	52	0.0	-67.58	398.41	5.64	-61.94
O=C(CC[NH+]1CCCC1)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC2=CC=CC=C21	REAL300029470356	0	55	0.0	-68.60	424.31	5.66	-62.94
C[N@@H+]1CC2CC1(C(=O)NCC1CN(C(=O)C3=CC(=O)[N-]O3)CC3=CC=CC=C31)C2	REAL300029470366	0	53	0.0	-66.32	409.43	5.16	-61.16
C[N@H+]1CC2CC1(C(=O)NCC1CN(C(=O)C3=CC(=O)[N-]O3)CC3=CC=CC=C31)C2	REAL300029470366	1	53	0.0	-66.48	408.20	5.16	-61.32
CC(C[NH+](C)C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC2=CC=CC=C21	REAL300029470400	0	54	0.0	-64.90	414.16	5.30	-59.60
CC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC2=CC=CC=C21)[NH+]1CC(C)C1	REAL300029470419	1	55	0.0	-65.34	425.39	5.62	-59.72
CC1CC[N@@H+]1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC2=CC=CC=C21	REAL300029470420	1	52	0.0	-66.04	402.91	4.82	-61.22
CC1CC[N@H+]1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC2=CC=CC=C21	REAL300029470420	1	52	0.0	-66.73	408.53	5.09	-61.64
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC3=CC=CC=C32)C1	REAL300029470448	0	55	0.0	-68.82	425.76	5.66	-63.16
NC(=[NH2+])SCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC2=CC=CC=C21	REAL300029470465	0	46	0.0	-68.96	384.51	0.80	-68.16
CCC1C[NH+](CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC3=CC=CC=C32)C1	REAL300029470514	1	55	0.0	-68.77	429.63	5.89	-62.88
C[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC2=CC=CC=C21	REAL300029470518	0	52	0.0	-64.72	402.07	4.94	-59.78
C[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC2=CC=CC=C21	REAL300029470518	1	52	0.0	-67.24	396.86	4.57	-62.67
O=C(C[NH+]1CCCCC1)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC2=CC=CC=C21	REAL300029470524	0	55	0.0	-67.38	418.72	5.90	-61.48
CC1C(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC3=CC=CC=C32)CC[N@@H+]1C	REAL300029470528	0	55	0.0	-69.25	419.82	5.31	-63.94
CC1C(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC3=CC=CC=C32)CC[N@H+]1C	REAL300029470528	1	55	0.0	-69.52	414.01	5.22	-64.30
C[N@@H+]1CCCC1C(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029470695	0	52	0.0	-70.63	404.25	4.98	-65.65
C[N@H+]1CCCC1C(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029470695	1	52	0.0	-70.23	402.19	4.98	-65.25
C[N@@H+]1CCC(CC(=O)N2CC3=CC=CC=C3C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029470862	0	55	0.0	-77.19	426.09	5.79	-71.40
C[N@H+]1CCC(CC(=O)N2CC3=CC=CC=C3C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029470862	1	55	0.0	-75.69	426.35	5.79	-69.90
CCC(C(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029470865	0	54	0.0	-68.99	405.56	5.02	-63.97
CCC[N@H+](C)CC(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029470877	0	54	0.0	-73.73	418.97	5.52	-68.21
CCC[N@@H+](C)CC(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029470877	1	54	0.0	-73.76	418.87	5.53	-68.23
C[NH+](C)CC1(C(=O)N2CC3=CC=CC=C3C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029470913	0	55	0.0	-75.80	425.55	5.65	-70.15
CC[N@H+](C)CCC(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029470918	0	54	0.0	-75.86	419.74	5.38	-70.48
CC[N@@H+](C)CCC(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029470918	1	54	0.0	-75.83	419.86	5.40	-70.43
C[NH+]1CCC(C(=O)N2CC3=CC=CC=C3C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029470940	0	55	0.0	-63.03	421.00	5.58	-57.45
C[NH+](C)C1(C(=O)N2CC3=CC=CC=C3C(CNC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300029470972	0	55	0.0	-73.49	407.16	5.22	-68.27
CC1CCC[N@@H+]1CC(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029470994	0	55	0.0	-69.85	418.40	5.52	-64.33
CC1CCC[N@H+]1CC(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029470994	1	55	0.0	-69.93	418.38	5.49	-64.44
CC1CC[N@H+](CC(=O)N2CC3=CC=CC=C3C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029471011	0	55	0.0	-72.74	424.98	5.80	-66.94
CC1CC[N@@H+](CC(=O)N2CC3=CC=CC=C3C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029471011	1	55	0.0	-73.09	425.80	5.84	-67.25
CC[C@@H](C(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029471013	0	54	0.0	-71.59	409.85	5.14	-66.45
CC1=[NH+]C=CN1CC(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029471048	1	50	0.0	-68.93	409.05	5.72	-63.21
CC1=C[NH+]=CN1CC(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029471066	1	50	0.0	-71.60	409.41	6.47	-65.13
C[C@@H]1[C@H](C(=O)N2CC3=CC=CC=C3C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029471067	0	55	0.0	-78.11	414.98	5.08	-73.03
C[C@@H]1[C@H](C(=O)N2CC3=CC=CC=C3C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029471067	1	55	0.0	-76.01	418.51	5.91	-70.10
C[N@H+](CC(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029471094	0	55	0.0	-71.08	425.87	6.10	-64.98
C[N@@H+](CC(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029471094	1	55	0.0	-71.48	425.87	6.08	-65.40
C[NH+]1CCC(C(=O)N2CC3=CC=CC=C3C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029471099	0	55	0.0	-63.03	421.00	5.58	-57.45
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029471111	0	52	0.0	-72.29	398.22	4.65	-67.64
C[N@H+]1CCC[C@@H]1C(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029471111	1	52	0.0	-61.21	404.58	5.00	-56.21
C[N@@H+]1CCCCC1C(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029471151	0	55	0.0	-73.87	412.44	5.38	-68.49
C[N@H+]1CCCCC1C(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029471151	1	55	0.0	-68.71	420.09	5.71	-63.00
CC1C(C(=O)N2CC3=CC=CC=C3C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029471179	0	55	0.0	-75.70	418.66	5.69	-70.01
CC1C(C(=O)N2CC3=CC=CC=C3C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029471179	1	55	0.0	-73.10	421.72	5.47	-67.63
C[C@@H](C(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029471216	0	51	0.0	-71.83	395.37	4.46	-67.37
O=C(CC[NH+]1CCCC1)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029471233	0	55	0.0	-75.28	427.98	5.90	-69.38
C[N@H+](CCO)CC(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029471238	1	52	0.0	-74.47	407.73	1.54	-72.93
C[N@@H+](CCO)CC(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029471238	1	52	0.0	-74.21	407.86	1.60	-72.61
CC1C[NH+](CC(=O)N2CC3=CC=CC=C3C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029471276	1	52	0.0	-73.84	411.06	5.20	-68.64
CC[N@H+](C)CC(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029471305	0	51	0.0	-73.45	397.48	4.78	-68.67
CC[N@@H+](C)CC(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029471305	1	51	0.0	-73.44	397.37	4.79	-68.65
CC[N@H+](CC(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029471358	0	55	0.0	-70.04	428.23	6.16	-63.88
CC[N@@H+](CC(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029471358	1	55	0.0	-70.91	425.83	6.12	-64.79
C[N@@H+]1CC2CC1(C(=O)N1CC3=CC=CC=C3C(CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029471370	0	53	0.0	-57.90	406.71	5.24	-52.66
C[N@H+]1CC2CC1(C(=O)N1CC3=CC=CC=C3C(CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029471370	1	53	0.0	-76.70	405.62	5.16	-71.54
CC(C[NH+](C)C)C(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029471379	0	54	0.0	-76.46	417.79	5.26	-71.20
C[NH+](C)C1(C(=O)N2CC3=CC=CC=C3C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029471385	0	52	0.0	-74.22	401.25	4.67	-69.55
C[C@H](C(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029471394	0	51	0.0	-71.39	394.01	4.45	-66.94
CC[N@@H+]1CCC1C(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029471397	1	52	0.0	-73.35	410.28	5.04	-68.31
CC[N@H+]1CCC1C(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029471397	1	52	0.0	-73.03	409.99	5.07	-67.96
NC1=CC=[NH+]C=C1C(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029471407	0	48	0.0	-76.13	389.47	2.04	-74.09
C[NH+](C)C(C)(C)C(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029471413	0	54	0.0	-76.21	400.93	4.64	-71.57
O=C(C[NH+]1CC2CC2C1)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029471474	0	53	0.0	-74.09	415.12	6.02	-68.07
C[N@@H+]1CCCCC1C(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029471480	0	55	0.0	-73.87	412.44	5.38	-68.49
C[N@H+]1CCCCC1C(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029471480	1	55	0.0	-68.71	420.09	5.71	-63.00
C[N@@H+]1CCC(=CC(=O)N2CC3=CC=CC=C3C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029471501	0	53	0.0	-77.04	416.57	5.75	-71.29
C[N@H+]1CCC(=CC(=O)N2CC3=CC=CC=C3C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029471501	1	53	0.0	-76.97	416.54	5.75	-71.22
CCC1C[NH+](CC(=O)N2CC3=CC=CC=C3C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029471522	0	55	0.0	-75.05	432.22	5.93	-69.12
C[N@@H+]1CCC[C@H]1C(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029471527	0	52	0.0	-70.98	404.24	4.98	-66.00
C[N@H+]1CCC[C@H]1C(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029471527	1	52	0.0	-71.20	397.71	4.63	-66.57
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3=CC=CC=C3C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029471560	0	55	0.0	-74.83	428.92	5.85	-68.98
O=C(C[NH+]1CCCCC1)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029471598	0	55	0.0	-73.57	421.39	5.98	-67.59
C[N@@H+]1CCCC(C(=O)N2CC3=CC=CC=C3C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029471599	0	55	0.0	-74.51	419.69	5.46	-69.05
C[N@H+]1CCCC(C(=O)N2CC3=CC=CC=C3C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029471599	1	55	0.0	-75.36	414.47	5.50	-69.86
CN1C=C[N+](CC(=O)N2CC3=CC=CC=C3C(CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029471600	0	50	0.0	-70.47	410.88	7.63	-62.84
C[N@H+](CC(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029471610	0	52	0.0	-70.22	409.01	5.57	-64.65
C[N@@H+](CC(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029471610	1	52	0.0	-71.06	409.05	5.53	-65.53
C[NH+]1CC(CC(=O)N2CC3=CC=CC=C3C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029471659	0	52	0.0	-74.84	410.94	4.99	-69.85
C[NH+](C)CC(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029471665	0	48	0.0	-74.06	379.76	4.11	-69.95
C[C@@H](C(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029471673	0	51	0.0	-71.83	395.37	4.46	-67.37
CC(C(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300029471687	0	55	0.0	-71.25	423.19	5.55	-65.70
CC1CC[N@@H+]1CC(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029471688	1	52	0.0	-71.21	405.45	4.93	-66.28
CC1CC[N@H+]1CC(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029471688	1	52	0.0	-72.39	411.08	5.18	-67.21
C[NH+](C)CC=CC(=O)N1CC2=CC=CC=C2C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029471690	0	52	0.0	-78.74	415.87	5.40	-73.34
CC1(C)C[NH+](CC(=O)N2CC3=CC=CC=C3C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029471694	1	55	0.0	-74.15	430.14	5.69	-68.46
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C[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029473346	1	55	0.0	-58.79	386.47	5.52	-53.27
O=C(C[NH+]1CCC1)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029473396	1	49	0.0	-63.74	356.23	4.35	-59.39
C[N@@H+]1CCC(=CC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029473415	0	53	0.0	-71.96	383.11	5.52	-66.44
C[N@H+]1CCC(=CC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029473415	1	53	0.0	-72.17	382.94	5.56	-66.61
C[NH+](C)CCOCC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029473438	0	55	0.0	-66.40	402.01	5.06	-61.34
C=CCC(C)(C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029473452	0	58	0.0	-58.89	387.55	5.89	-53.00
C[S+](C)CCC(O)C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029473456	0	54	0.0	-65.13	406.75	3.36	-61.77
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029473475	0	56	0.0	-63.90	384.79	1.32	-62.58
CC1CN(CC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029473494	0	52	0.0	-63.97	377.43	5.02	-58.95
CC1C[NH+](CC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029473494	1	52	0.0	-63.97	377.43	5.02	-58.95
CN(CCO)CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029473512	0	52	0.0	-65.58	374.18	1.37	-64.21
C[N@H+](CCO)CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029473512	1	52	0.0	-63.56	374.18	1.38	-62.18
C[N@@H+](CCO)CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029473512	1	52	0.0	-63.56	374.18	1.38	-62.18
CC[N@@H+]1CCCC(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029473532	0	58	0.0	-68.84	406.56	6.07	-62.77
CC[N@H+]1CCCC(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029473532	1	58	0.0	-68.84	406.56	6.07	-62.77
CC(CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300029473534	0	57	0.0	-70.87	403.34	5.99	-64.88
CC[N@H+](C)CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029473539	0	51	0.0	-63.64	363.83	4.61	-59.03
CC[N@H+](CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029473572	0	55	0.0	-60.53	392.12	5.94	-54.59
CC[NH+](CC)CCC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029473582	0	57	0.0	-66.57	399.78	5.62	-60.95
CC1(C)CN(CC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029473600	0	55	0.0	-63.79	396.74	5.55	-58.24
CC1(C)C[NH+](CC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029473600	1	55	0.0	-63.79	396.74	5.55	-58.24
CC1(O)CC[N@H+](CC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029473618	0	56	0.0	-64.46	402.28	2.33	-62.13
C[NH+](C)CC=CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029473622	0	52	0.0	-72.60	382.20	5.21	-67.39
CC(OCC[NH+](C)C)C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029473631	0	58	0.0	-68.78	418.22	5.50	-63.28
C[NH+](C)CCOCCC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029473637	0	58	0.0	-70.38	422.96	4.77	-65.61
COCCN(C)CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029473638	0	55	0.0	-63.00	396.43	3.79	-59.21
COCC[N@H+](C)CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029473638	1	55	0.0	-65.59	396.43	3.78	-61.81
COCC[N@@H+](C)CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029473638	1	55	0.0	-65.59	396.43	3.78	-61.81
C[NH+](C)C1(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CCCC1	REAL300029473658	0	58	0.0	-61.76	384.86	5.43	-56.33
CC(CCC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029473660	0	57	0.0	-67.84	403.22	5.73	-62.11
CC[N@@H+]1CCC1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029473666	0	52	0.0	-63.83	368.36	4.50	-59.33
O=C(C[N@H+]1CCCC1CO)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029473679	0	56	0.0	-62.53	399.22	2.47	-60.06
C[NH+]1CCC(C)(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029473701	0	58	0.0	-71.35	394.40	5.47	-65.88
C=CCC(C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029473720	0	55	0.0	-61.36	386.06	5.31	-56.05
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029473727	0	58	0.0	-58.57	405.17	5.53	-53.04
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029473727	1	58	0.0	-58.57	405.17	5.53	-53.04
C[NH+](C)CCCCCC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029473729	0	60	0.0	-71.89	433.00	6.90	-64.99
O=C(C[NH+]1CC2CC2C1)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029473734	0	53	0.0	-63.32	380.65	5.77	-57.55
CCCC(C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029473750	0	57	0.0	-63.81	394.68	5.58	-58.23
C[NH+](C)C(C)(C)C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029473753	0	54	0.0	-69.30	365.85	4.43	-64.87
C[N@@H+]1CCCCC1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029473779	0	55	0.0	-63.15	375.34	5.06	-58.09
C[N@H+]1CC=C(CC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029473803	0	56	0.0	-66.67	405.31	6.29	-60.38
C[N@@H+]1CC=C(CC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029473803	1	56	0.0	-66.67	405.31	6.29	-60.38
O=C(C=CC[NH+]1CCCC1)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029473843	0	56	0.0	-68.99	407.43	6.37	-62.62
C[NH+](C)C1(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029473874	0	52	0.0	-68.91	364.60	4.12	-64.79
O=C(CC[NH+]1CCCC1)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029473876	0	55	0.0	-67.18	394.42	5.70	-61.48
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1C[NH+]3CCN1CC3)CC2	REAL300029473900	0	55	0.0	-77.62	378.74	2.01	-75.61
C[N@@H+]1CC2CC1(C(=O)N1CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300029473905	0	53	0.0	-61.57	373.50	4.99	-56.58
C[N@H+]1CC2CC1(C(=O)N1CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300029473905	1	53	0.0	-70.44	372.98	4.82	-65.62
O=C(C[N@@H+]1CC2CCC1C2)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029473912	0	56	0.0	-59.73	390.13	5.83	-53.90
O=C(C[N@H+]1CC2CCC1C2)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029473912	1	56	0.0	-61.63	392.80	6.03	-55.60
O=C(C[N@@H+]1CC2C=CC1C2)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029473952	1	54	0.0	-61.48	385.03	5.81	-55.67
O=C(C[N@H+]1CC2C=CC1C2)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029473952	1	54	0.0	-61.23	385.47	5.91	-55.32
CC(C[NH+](C)C)C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029473984	0	54	0.0	-70.65	380.84	4.96	-65.69
C[N@@H+]1CCCCC1CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029474034	0	58	0.0	-69.27	405.27	6.16	-63.11
C[N@H+]1CCCCC1CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029474034	1	58	0.0	-67.70	405.22	6.18	-61.52
CC(C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CC(C)C1	REAL300029474044	0	55	0.0	-63.57	391.90	5.34	-58.23
CC1CC[N@@H+]1CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029474046	0	52	0.0	-61.66	377.46	5.03	-56.63
CC1CC[N@H+]1CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029474046	1	52	0.0	-61.78	372.00	4.74	-57.04
C[NH+](C)CC(O)CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029474049	0	55	0.0	-72.50	398.66	2.97	-69.53
CC1C[N@H+](C)CC(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300029474069	1	56	0.0	-72.82	392.88	4.48	-68.34
CC1C[N@@H+](C)CC(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300029474069	1	56	0.0	-70.59	393.96	4.53	-66.06
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029474116	0	55	0.0	-65.11	395.26	5.67	-59.44
CC(CC[NH+](C)C)C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029474122	0	57	0.0	-72.41	402.58	5.59	-66.82
C[NH+]1CCN(CC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029474141	1	57	0.0	-70.30	405.17	3.44	-66.86
NC(=[NH2+])SCC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029474165	0	46	0.0	-67.42	354.06	0.98	-66.44
C[NH+](C)CCC1(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029474194	0	58	0.0	-61.66	418.27	6.30	-55.36
C[N@@H+]1CC=CCC1CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029474195	0	56	0.0	-55.24	392.25	5.99	-49.25
C[N@H+]1CC=CCC1CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029474195	1	56	0.0	-70.19	396.99	6.07	-64.12
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029474208	0	58	0.0	-64.05	417.20	5.51	-58.54
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029474299	0	52	0.0	-60.14	364.94	4.46	-55.68
C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029474299	1	52	0.0	-60.14	364.94	4.46	-55.68
O=C(CC[N@H+]1CCC(F)C1)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029474305	0	55	0.0	-72.24	400.39	5.77	-66.47
CC1C(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300029474324	0	55	0.0	-62.81	388.30	5.27	-57.54
CC1C(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300029474324	1	55	0.0	-62.81	388.30	5.27	-57.54
CN1CCOCC1CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029474353	0	56	0.0	-71.31	396.61	3.80	-67.51
C[N@@H+]1CCOCC1CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029474353	1	56	0.0	-64.42	389.20	3.66	-60.76
C[N@H+]1CCOCC1CC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029474353	1	56	0.0	-64.42	389.20	3.66	-60.76
C[N@@H+]1CCCC1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029474524	0	52	0.0	-70.98	368.39	4.71	-66.27
C[N@H+]1CCCC1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029474524	1	52	0.0	-70.98	368.39	4.71	-66.27
O=C(CCN1CCOCC1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029474702	0	56	0.0	-79.05	401.51	3.93	-75.12
O=C(CC[NH+]1CCOCC1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029474702	1	56	0.0	-79.05	401.51	3.93	-75.12
O=C(C1=CC2=CN=CN2C=C1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029474715	0	50	0.0	-80.50	371.11	6.93	-73.57
O=C(C1=CC2=C[NH+]=CN2C=C1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029474715	1	50	0.0	-80.50	371.11	6.93	-73.57
C[N@@H+]1CCC(CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029474743	0	55	0.0	-74.71	392.37	5.54	-69.17
C[N@H+]1CCC(CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029474743	1	55	0.0	-74.71	392.37	5.54	-69.17
CCC(C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029474750	0	54	0.0	-70.09	368.26	4.62	-65.47
C[NH+](C)CCCCC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029474785	0	57	0.0	-74.80	411.63	6.05	-68.75
CCC[N@H+](C)CCC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029474800	0	57	0.0	-76.84	407.79	5.87	-70.97
CCC[N@@H+](C)CCC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029474800	1	57	0.0	-76.84	407.79	5.87	-70.97
CCC[N@H+](C)CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029474803	0	54	0.0	-75.40	384.93	5.29	-70.11
CCC[N@@H+](C)CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029474803	1	54	0.0	-75.40	384.93	5.29	-70.11
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C23CC[N@H+](C2)CCC3)CC1	REAL300029474815	0	56	0.0	-75.76	378.68	4.66	-71.10
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C23CC[N@@H+](C2)CCC3)CC1	REAL300029474815	1	56	0.0	-75.76	378.68	4.66	-71.10
CC1CC[NH+](CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300029474845	0	58	0.0	-77.30	407.90	6.37	-70.93
C[NH+](C)CC1(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300029474876	0	55	0.0	-72.10	393.96	5.47	-66.63
CC[N@H+](C)CCC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029474892	0	54	0.0	-75.78	386.38	5.14	-70.64
CC[N@@H+](C)CCC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029474892	1	54	0.0	-75.81	386.36	5.15	-70.66
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2C[NH+]3CCC2CC3)CC1	REAL300029474909	0	56	0.0	-82.03	382.11	5.34	-76.69
C[NH+]1CCC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300029474949	0	55	0.0	-80.06	386.26	5.28	-74.78
CC[NH+](CC)CC(F)C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029475011	0	57	0.0	-75.69	404.33	5.56	-70.13
CCC(C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](CC)CC	REAL300029475044	0	60	0.0	-67.69	403.67	5.95	-61.74
CC1CCC[N@@H+]1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029475054	0	55	0.0	-72.73	390.86	5.66	-67.07
CC1CCC[N@H+]1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029475054	1	55	0.0	-72.43	384.65	5.17	-67.26
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029475096	0	58	0.0	-75.14	386.15	5.81	-69.33
CC(C)[N@H+]1CCCC1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029475096	1	58	0.0	-71.50	399.31	5.72	-65.78
CC1CC[N@H+](CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029475116	0	55	0.0	-75.22	392.15	5.54	-69.68
CC1CC[N@@H+](CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029475116	1	55	0.0	-74.61	391.59	5.56	-69.05
CC1(C)CC[N@H+](CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029475119	0	58	0.0	-75.63	411.26	6.06	-69.57
CC1(C)CC[N@@H+](CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029475119	1	58	0.0	-75.08	411.03	6.07	-69.01
C[N@H+](CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)CC(C)(C)C	REAL300029475120	0	60	0.0	-75.32	415.09	6.37	-68.95
C[N@@H+](CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)CC(C)(C)C	REAL300029475120	1	60	0.0	-75.76	416.01	6.46	-69.30
CC[C@@H](C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029475127	0	54	0.0	-73.70	371.24	4.86	-68.84
CC1=[NH+]C=CN1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029475238	1	50	0.0	-68.05	375.61	5.51	-62.54
CC[N@@H+]1CCOC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029475294	1	56	0.0	-85.56	396.77	4.44	-81.12
CC[N@H+]1CCOC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029475294	1	56	0.0	-76.65	388.77	4.30	-72.35
O=C(C1=CN2C=[NH+]C=C2C=C1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029475318	0	50	0.0	-74.38	370.83	6.90	-67.48
CC1=C[NH+]=CN1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029475321	1	50	0.0	-72.08	376.02	6.22	-65.86
C[C@@H]1[C@H](C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC[N@@H+]1C	REAL300029475327	0	55	0.0	-80.55	377.76	4.73	-75.82
C[C@@H]1[C@H](C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC[N@H+]1C	REAL300029475327	1	55	0.0	-79.25	383.99	4.99	-74.26
CC[C@@H]1[C@@H](C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC[N@@H+]1C	REAL300029475329	0	58	0.0	-77.74	396.81	5.35	-72.39
CC[C@@H]1[C@@H](C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC[N@H+]1C	REAL300029475329	1	58	0.0	-77.37	403.02	5.71	-71.66
CC1CCC(C)[NH+]1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029475335	0	58	0.0	-71.35	397.94	5.84	-65.51
O=C(CCC[NH+]1CCCC1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029475338	0	58	0.0	-72.70	415.36	6.40	-66.30
O=C(CC[NH+]1CCCCC1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029475341	0	58	0.0	-75.05	410.27	6.35	-68.70
C[N@H+](CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CCC1	REAL300029475423	0	55	0.0	-72.55	391.63	5.86	-66.69
C[N@@H+](CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CCC1	REAL300029475423	1	55	0.0	-73.33	391.93	5.88	-67.45
C[NH+]1CCC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300029475452	0	55	0.0	-80.06	386.26	5.28	-74.78
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029475476	0	52	0.0	-73.93	361.66	4.29	-69.64
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029475476	1	52	0.0	-70.78	366.98	4.67	-66.11
C[N@@H+]1CCCC1CCC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029475495	0	58	0.0	-77.89	413.56	6.35	-71.54
C[N@H+]1CCCC1CCC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029475495	1	58	0.0	-71.43	407.79	5.88	-65.55
CC1C(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC[N@@H+]1C	REAL300029475603	0	55	0.0	-74.11	384.76	4.90	-69.21
CC1C(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC[N@H+]1C	REAL300029475603	1	55	0.0	-77.06	382.09	5.44	-71.62
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029475647	0	58	0.0	-72.57	407.20	5.44	-67.13
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029475647	1	58	0.0	-75.79	385.91	5.47	-70.32
C[C@@H](C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029475661	0	51	0.0	-73.22	359.01	4.19	-69.03
C=CCC(C)(C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029475675	0	58	0.0	-67.37	388.29	5.30	-62.07
O=C(CC[NH+]1CCCC1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029475692	0	55	0.0	-75.43	394.60	5.66	-69.77
C[N@H+](CCO)CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029475701	1	52	0.0	-76.25	373.78	1.32	-74.93
C[N@@H+](CCO)CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029475701	1	52	0.0	-75.33	373.51	1.34	-73.99
C[N@H+]1CC=C(CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300029475752	0	56	0.0	-67.84	405.41	6.25	-61.59
C[N@@H+]1CC=C(CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300029475752	1	56	0.0	-64.58	405.38	6.25	-58.33
C[S+](C)CCC(O)C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029475760	0	54	0.0	-84.01	406.62	2.95	-81.06
CC1C[NH+](CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029475800	1	52	0.0	-76.35	376.29	5.06	-71.29
CC[N@@H+]1CCCC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029475804	0	58	0.0	-72.46	403.89	5.88	-66.58
CC[N@H+]1CCCC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029475804	1	58	0.0	-73.06	403.94	5.89	-67.17
NC1=[NH+]C=CC=C1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029475808	0	51	0.0	-65.58	380.50	3.72	-61.86
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2CCC[N@@H+]2C2CC2)CC1	REAL300029475814	0	56	0.0	-70.22	400.71	6.20	-64.02
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2CCC[N@H+]2C2CC2)CC1	REAL300029475814	1	56	0.0	-69.64	392.88	5.95	-63.69
O=C(C=CC[NH+]1CCCC1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029475840	0	56	0.0	-76.29	407.46	6.30	-69.99
CC[N@H+](C)CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029475875	0	51	0.0	-75.09	363.43	4.56	-70.53
O=C(CN1CC2C=CC1C2)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029475905	0	54	0.0	-70.28	385.24	5.74	-64.54
O=C(C[N@@H+]1CC2C=CC1C2)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029475905	1	54	0.0	-74.37	385.65	5.87	-68.50
O=C(C[N@H+]1CC2C=CC1C2)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029475905	1	54	0.0	-74.37	385.65	5.87	-68.50
CC(OCC[NH+](C)C)C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029475982	0	58	0.0	-65.37	417.24	5.07	-60.30
C[NH+](C)CCOCCC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029475989	0	58	0.0	-73.88	423.09	4.71	-69.17
COCCN(C)CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029475991	0	55	0.0	-74.96	395.77	3.74	-71.22
COCC[N@H+](C)CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029475991	1	55	0.0	-76.99	396.03	3.72	-73.27
COCC[N@@H+](C)CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029475991	1	55	0.0	-76.99	396.03	3.72	-73.27
CC(CCC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029475994	0	57	0.0	-79.83	399.36	5.66	-74.17
CC[N@H+](CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300029476009	0	55	0.0	-73.93	392.29	5.81	-68.12
O=C(C[N@@H+]1CC2CCC1C2)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476039	0	56	0.0	-74.10	393.23	6.00	-68.10
O=C(C[N@H+]1CC2CCC1C2)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476039	1	56	0.0	-74.10	393.23	6.00	-68.10
CC(C[NH+](C)C)C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476053	0	54	0.0	-76.31	380.75	4.82	-71.49
CCN1CCC1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476083	0	52	0.0	-73.71	368.09	4.45	-69.26
CC[N@@H+]1CCC1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476083	1	52	0.0	-72.70	367.59	4.40	-68.30
CC[N@H+]1CCC1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476083	1	52	0.0	-72.70	367.59	4.40	-68.30
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476092	0	60	0.0	-73.01	409.73	4.35	-68.66
CNC1=NC(C)=CC=C1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476117	0	54	0.0	-68.90	392.81	4.47	-64.43
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476117	1	54	0.0	-68.90	392.81	4.47	-64.43
CCCC(C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029476126	0	57	0.0	-70.69	391.40	5.45	-65.24
CC(CC[NH+](C)C)C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476143	0	57	0.0	-74.27	402.40	5.44	-68.83
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476199	0	58	0.0	-70.98	407.64	5.84	-65.14
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476199	1	58	0.0	-70.98	407.64	5.84	-65.14
C[NH+](C)CCCCCC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476201	0	60	0.0	-73.26	433.13	6.84	-66.42
CN1CCN(CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300029476208	0	57	0.0	-71.61	404.32	3.26	-68.35
C[NH+]1CCN(CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300029476208	1	57	0.0	-71.61	404.32	3.26	-68.35
CC1CN(C)CC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)O1	REAL300029476256	0	56	0.0	-88.94	393.40	4.50	-84.44
CC1C[N@H+](C)CC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)O1	REAL300029476256	1	56	0.0	-86.62	393.51	4.50	-82.12
CC1C[N@@H+](C)CC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)O1	REAL300029476256	1	56	0.0	-86.62	393.51	4.50	-82.12
C[N@@H+]1CCCCC1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476307	0	55	0.0	-75.59	375.59	5.07	-70.52
C[N@@H+]1CCC(=CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029476367	0	53	0.0	-75.49	382.89	5.38	-70.11
C[N@H+]1CCC(=CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029476367	1	53	0.0	-75.49	382.89	5.38	-70.11
O=C(CNC1=CC=[NH+]C=C1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476370	0	51	0.0	-73.99	381.98	3.18	-70.81
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476436	0	52	0.0	-74.02	361.08	4.30	-69.72
C[N@H+]1CCC[C@H]1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476436	1	52	0.0	-74.02	361.08	4.30	-69.72
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029476518	0	55	0.0	-76.00	395.19	5.52	-70.48
C[N@@H+]1CC=CCC1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476526	0	56	0.0	-65.06	391.68	5.96	-59.10
C[N@H+]1CC=CCC1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476526	1	56	0.0	-65.06	391.68	5.96	-59.10
C[NH+](C)CCOCC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476561	0	55	0.0	-68.66	402.04	4.67	-63.99
[NH2+]=C1SC=CN1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476582	0	48	0.0	-68.51	373.28	4.09	-64.42
C[C@@H](OCC[NH+](C)C)C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476616	0	58	0.0	-67.46	417.56	5.04	-62.42
O=C(C[NH+]1CCCCC1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476638	0	55	0.0	-76.81	387.42	5.67	-71.14
C[N@@H+]1CCCC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029476639	0	55	0.0	-74.81	386.08	5.13	-69.68
C[N@H+]1CCCC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029476639	1	55	0.0	-66.76	379.83	5.40	-61.36
O=C(C[NH+]1CCCCCC1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476640	0	58	0.0	-77.61	398.08	6.19	-71.42
CN1C=C[N+](CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)=C1	REAL300029476644	0	50	0.0	-69.19	377.48	7.40	-61.79
O=C(C[NH+]1CCC(O)CC1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476663	1	56	0.0	-80.93	398.44	2.41	-78.52
C[N@@H+](CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300029476665	1	52	0.0	-72.74	375.07	5.30	-67.44
O=C(CC[N@@H+]1CCC(F)C1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476668	1	55	0.0	-81.49	400.02	5.58	-75.91
CC(CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C[NH+](C)C	REAL300029476687	0	57	0.0	-74.77	402.59	5.92	-68.85
CN1CCOCC1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476706	0	56	0.0	-71.81	388.83	3.53	-68.28
C[N@@H+]1CCOCC1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476706	1	56	0.0	-83.56	394.99	3.60	-79.96
C[N@H+]1CCOCC1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476706	1	56	0.0	-71.81	388.83	3.53	-68.28
CC1=CC(N)=[NH+]C=C1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476735	1	51	0.0	-77.91	372.18	2.98	-74.93
NC1=CC=C(CCC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C=[NH+]1	REAL300029476736	0	54	0.0	-72.85	405.21	4.43	-68.42
CC1(O)CC[N@@H+](CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029476761	1	56	0.0	-76.84	402.44	2.28	-74.56
C[NH+]1CC(CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029476787	0	52	0.0	-74.69	377.39	4.67	-70.02
C[NH+](C)CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476798	0	48	0.0	-75.30	345.70	3.88	-71.42
C[N@H+](CCO)CCC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476816	0	55	0.0	-75.14	396.65	1.91	-73.23
C[N@@H+](CCO)CCC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476816	1	55	0.0	-74.55	396.54	1.95	-72.60
C[C@@H](C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029476817	0	51	0.0	-73.22	359.01	4.19	-69.03
C[N@@H+]1CCCCC1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476830	0	58	0.0	-65.80	397.32	5.90	-59.90
C[N@H+]1CCCCC1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476830	1	58	0.0	-79.63	404.36	6.08	-73.55
CC(C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+]1CC(C)C1	REAL300029476842	0	55	0.0	-72.66	387.98	5.05	-67.61
CC1CCN1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476844	0	52	0.0	-74.17	377.38	4.91	-69.26
CC1CC[N@@H+]1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476844	1	52	0.0	-73.11	371.75	4.60	-68.51
CC1CC[N@H+]1CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476844	1	52	0.0	-74.17	377.38	4.91	-69.26
C[NH+](C)CC=CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476849	0	52	0.0	-77.30	381.12	5.10	-72.20
CC1(C)C[NH+](CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029476854	1	55	0.0	-76.72	396.59	5.41	-71.31
C[NH+](C)CCSCC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476874	0	55	0.0	-78.88	413.15	5.86	-73.02
O=C(C[N@H+]1CCCC1CO)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476891	0	56	0.0	-75.23	399.59	2.28	-72.95
O=C(C[N@@H+]1CCCC1CO)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476891	1	56	0.0	-76.05	399.43	2.53	-73.52
CC[NH+](CC)CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476895	0	54	0.0	-73.29	381.09	5.23	-68.06
O=C(C[NH+]1CCC1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476904	1	49	0.0	-76.17	356.28	4.26	-71.91
CC[NH+](CC)CCC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029476929	0	57	0.0	-75.35	399.52	5.51	-69.84
CC(C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+]1CCC1	REAL300029476973	1	52	0.0	-72.96	370.57	4.61	-68.35
CCC(CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C[NH+](C)C	REAL300029476978	0	60	0.0	-83.45	419.80	6.52	-76.93
NC1=CC=C(C=CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C=[NH+]1	REAL300029476982	0	52	0.0	-78.77	392.51	4.12	-74.65
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029477010	0	55	0.0	-75.06	375.83	5.10	-69.96
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029477010	1	55	0.0	-68.97	381.77	5.31	-63.66
C[NH+](C)CC(O)CC(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029477031	0	55	0.0	-78.29	398.86	2.70	-75.59
C=CCC(C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029477053	0	55	0.0	-69.74	383.27	5.23	-64.51
C[NH+](C)CCSCC(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029477123	0	55	0.0	-74.12	413.03	5.96	-68.16
C[N@@H+]1CCCC1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029477287	0	50	0.0	-74.17	372.93	2.23	-71.94
C[N@H+]1CCCC1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029477287	1	50	0.0	-70.75	373.02	2.22	-68.53
C[N@@H+]1CCOC(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029477311	1	51	0.0	-78.57	379.78	1.76	-76.81
C[N@H+]1CCOC(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029477311	1	51	0.0	-77.12	379.22	1.81	-75.31
CC(C)[N@@H+]1CCCC1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029477461	0	56	0.0	-73.45	404.88	4.12	-69.33
CC(C)[N@H+]1CCCC1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029477461	1	56	0.0	-72.55	403.67	4.08	-68.47
CC1=[NH+]C=CN1CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029477491	1	48	0.0	-72.89	382.65	3.28	-69.61
O=C(C1=CC(=O)[N-]O1)N1CCC2(C1)CN(C(=O)C1C[NH+]3CCC1CC3)CCO2	REAL300029477513	0	54	0.0	-82.88	390.79	3.20	-79.68
C[C@@H]1[C@H](C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029477546	0	53	0.0	-75.23	388.25	2.59	-72.64
C[C@@H]1[C@H](C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029477546	1	53	0.0	-73.06	389.64	3.13	-69.93
CC[C@@H]1[C@@H](C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029477548	0	56	0.0	-77.83	405.57	3.27	-74.56
CC[C@@H]1[C@@H](C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029477548	1	56	0.0	-73.13	412.29	3.53	-69.60
CC[N@@H+]1CCOC(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029477554	1	54	0.0	-79.14	403.98	2.60	-76.54
CC[N@H+]1CCOC(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029477554	1	54	0.0	-85.79	403.59	2.60	-83.19
CC[NH+](CC)CC(F)C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029477580	0	55	0.0	-76.51	409.59	3.30	-73.21
CC1CCC(C)[NH+]1CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029477613	0	56	0.0	-69.69	409.80	3.56	-66.13
O=C(CCC[NH+]1CCCC1)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029477616	0	56	0.0	-76.47	422.48	4.17	-72.30
O=C(CC[NH+]1CCCCC1)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029477619	0	56	0.0	-74.77	417.21	4.17	-70.60
CC[N@@H+]1CCCCC1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029477622	0	56	0.0	-68.50	400.18	3.39	-65.11
CC[N@H+]1CCCCC1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029477622	1	56	0.0	-72.92	401.31	3.48	-69.44
C[NH+](C)C1(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCC1	REAL300029477632	0	53	0.0	-71.50	379.06	2.53	-68.97
CC(C)[C@@H](C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029477638	0	55	0.0	-74.58	391.45	3.09	-71.49
C[N@H+](CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300029477662	0	53	0.0	-71.91	400.54	3.67	-68.24
C[N@@H+](CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300029477662	1	53	0.0	-71.97	399.33	3.66	-68.31
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029477727	1	52	0.0	-72.50	398.43	3.42	-69.08
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029477727	1	52	0.0	-75.54	406.72	3.95	-71.59
C[N@@H+]1CCCC1CCC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029477732	0	56	0.0	-79.82	420.35	4.28	-75.54
C[N@H+]1CCCC1CCC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029477732	1	56	0.0	-75.08	416.22	3.77	-71.31
C[NH+]1CCC(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029477748	0	53	0.0	-76.77	397.22	3.26	-73.51
C[N@@H+]1CCCCC1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029477782	0	53	0.0	-71.01	394.67	3.27	-67.74
C[N@H+]1CCCCC1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029477782	1	53	0.0	-71.72	394.10	3.22	-68.50
O=C(C1=CC(=O)[N-]O1)N1CCC2(C1)CN(C(=O)C1=CN3C=[NH+]C=C3C=C1)CCO2	REAL300029477843	0	48	0.0	-78.52	387.71	5.07	-73.45
O=C(CC[NH+]1CCOCC1)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029477849	1	54	0.0	-81.11	409.52	1.76	-79.35
CC1=C[NH+]=CN1CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029477862	1	48	0.0	-71.23	384.07	4.03	-67.20
O=C(C1=CC(=O)[N-]O1)N1CCC2(C1)CN(C(=O)C13CCC[NH+]1CCC3)CCO2	REAL300029477881	0	54	0.0	-76.29	384.10	3.06	-73.23
C[N@@H+]1CCC(CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029477890	0	53	0.0	-76.04	401.09	3.30	-72.74
C[N@H+]1CCC(CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029477890	1	53	0.0	-78.90	400.79	3.35	-75.55
CCC(C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029477897	0	52	0.0	-70.12	383.28	2.72	-67.40
O=C(C1=CC(=O)[N-]O1)N1CCC2(C1)CN(C(=O)C1=CC3=C[NH+]=CN3C=C1)CCO2	REAL300029477924	1	48	0.0	-78.73	388.89	5.07	-73.66
C[NH+](C)CCCCC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029477952	0	55	0.0	-76.25	418.57	3.88	-72.37
CC(C)C(C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029477964	0	55	0.0	-69.66	395.96	3.25	-66.41
CCC[N@H+](C)CCC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029477965	0	55	0.0	-76.24	414.81	3.71	-72.53
CCC[N@@H+](C)CCC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029477965	1	55	0.0	-76.12	414.81	3.71	-72.41
CCC[N@H+](C)CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029477968	0	52	0.0	-77.47	393.47	3.11	-74.36
CCC[N@@H+](C)CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029477968	1	52	0.0	-77.43	393.48	3.10	-74.33
O=C(C1=CC(=O)[N-]O1)N1CCC2(C1)CN(C(=O)C13CC[N@H+](C1)CCC3)CCO2	REAL300029477982	0	54	0.0	-77.10	384.28	2.43	-74.67
O=C(C1=CC(=O)[N-]O1)N1CCC2(C1)CN(C(=O)C13CC[N@@H+](C1)CCC3)CCO2	REAL300029477982	1	54	0.0	-71.58	381.76	2.39	-69.19
C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478008	0	50	0.0	-75.83	372.96	2.22	-73.61
C[N@H+]1CCC[C@@H]1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478008	1	50	0.0	-71.24	376.73	2.54	-68.70
CC[NH+](CC)CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478041	0	52	0.0	-72.14	384.78	2.76	-69.38
CC1CC[NH+](CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029478101	0	56	0.0	-74.09	415.80	4.17	-69.92
C[NH+](C)CC1(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029478121	0	53	0.0	-76.90	400.99	3.30	-73.60
C[NH+]1CCC(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029478173	0	53	0.0	-76.77	397.22	3.26	-73.51
CC(C)[C@H](C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029478189	0	55	0.0	-74.26	395.43	3.40	-70.86
CCC(C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](CC)CC	REAL300029478217	0	58	0.0	-65.77	415.52	3.81	-61.96
CC[N@H+](C)CCC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478250	0	52	0.0	-75.49	393.31	2.98	-72.51
CC[N@@H+](C)CCC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478250	1	52	0.0	-75.39	393.31	2.97	-72.42
CC1CCC[N@@H+]1CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478276	0	53	0.0	-73.55	392.95	3.07	-70.48
CC1CCC[N@H+]1CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478276	1	53	0.0	-73.90	398.28	3.51	-70.39
CC1CC[N@H+](CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029478277	0	53	0.0	-72.68	399.65	3.37	-69.31
CC1CC[N@@H+](CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029478277	1	53	0.0	-76.48	399.63	3.37	-73.11
CC1(C)CC[N@H+](CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029478281	0	56	0.0	-76.80	419.53	3.92	-72.88
CC1(C)CC[N@@H+](CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029478281	1	56	0.0	-72.72	418.16	3.93	-68.79
C[N@H+](CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC(C)(C)C	REAL300029478282	0	58	0.0	-77.45	422.08	4.09	-73.36
C[N@@H+](CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC(C)(C)C	REAL300029478282	1	58	0.0	-73.17	424.11	4.24	-68.93
CC[C@@H](C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029478290	0	52	0.0	-72.49	379.59	2.57	-69.92
C[NH+](C)CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478386	0	46	0.0	-74.01	353.21	1.68	-72.33
O=C(C[NH+]1CCCCCC1)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478389	0	56	0.0	-76.83	405.20	3.75	-73.08
CN1C=C[N+](CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300029478392	0	48	0.0	-71.56	384.44	5.20	-66.36
C[N@@H+]1CCCC(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029478396	0	53	0.0	-74.46	397.27	3.23	-71.23
C[N@H+]1CCCC(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029478396	1	53	0.0	-74.02	390.49	3.38	-70.64
O=C(C1=CC(=O)[N-]O1)N1CCC2(C1)CN(C(=O)C1CCC[N@@H+]1C1CC1)CCO2	REAL300029478401	0	54	0.0	-68.57	407.10	4.03	-64.54
O=C(C1=CC(=O)[N-]O1)N1CCC2(C1)CN(C(=O)C1CCC[N@H+]1C1CC1)CCO2	REAL300029478401	1	54	0.0	-70.80	405.90	3.89	-66.91
CC(C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCC1	REAL300029478416	1	50	0.0	-68.98	370.20	2.30	-66.68
CCC(CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300029478420	0	58	0.0	-81.59	429.19	4.37	-77.22
C[NH+](C)CC(C)(C)C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478425	0	55	0.0	-77.97	392.93	3.12	-74.85
O=C(C[NH+]1CCC(O)CC1)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478438	1	54	0.0	-78.50	406.02	0.20	-78.30
C[N@H+](CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029478439	0	50	0.0	-70.19	382.47	3.08	-67.11
C[N@@H+](CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029478439	1	50	0.0	-71.46	382.62	3.11	-68.35
C[NH+]1CC(CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029478454	0	50	0.0	-75.64	384.50	2.56	-73.08
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478465	0	56	0.0	-72.63	392.90	2.77	-69.86
CC(C)(C)[N@H+]1CCC1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478465	1	56	0.0	-69.65	394.41	2.60	-67.05
C[C@@H](C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029478476	0	49	0.0	-74.52	369.51	2.11	-72.41
[NH2+]=C1SC=CN1CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478533	0	46	0.0	-69.90	380.27	1.87	-68.03
C[N@H+](CCO)CCC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478539	0	53	0.0	-74.59	403.66	-0.25	-74.84
C[N@@H+](CCO)CCC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478539	1	53	0.0	-75.09	403.64	-0.29	-75.38
C[C@@H](C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029478540	0	49	0.0	-74.52	369.51	2.11	-72.41
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478544	0	53	0.0	-70.62	382.46	2.80	-67.82
C[N@H+]1CCCC[C@@H]1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478544	1	53	0.0	-71.75	394.07	3.21	-68.54
O=C(C[NH+]1CCC1)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478594	1	47	0.0	-73.70	364.59	2.16	-71.54
C[N@@H+]1CCC(=CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029478611	0	51	0.0	-78.75	391.21	3.28	-75.47
C[N@H+]1CCC(=CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029478611	1	51	0.0	-79.43	390.94	3.31	-76.12
C[NH+](C)CCOCC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478632	0	53	0.0	-72.00	409.06	2.82	-69.18
C=CCC(C)(C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029478645	0	56	0.0	-66.31	398.80	3.20	-63.11
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478666	0	54	0.0	-72.24	391.29	-1.21	-73.45
CC1CN(CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029478684	0	50	0.0	-76.73	384.21	2.81	-73.92
CC1C[NH+](CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029478684	1	50	0.0	-76.73	384.21	2.81	-73.92
CN(CCO)CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478702	0	50	0.0	-73.81	382.40	-0.89	-74.70
C[N@H+](CCO)CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478702	1	50	0.0	-77.40	382.08	-0.87	-78.27
C[N@@H+](CCO)CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478702	1	50	0.0	-77.40	382.08	-0.87	-78.27
CC[N@@H+]1CCCC(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029478722	0	56	0.0	-69.54	406.76	3.98	-65.56
CC[N@H+]1CCCC(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029478722	1	56	0.0	-69.54	406.76	3.98	-65.56
CC(CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300029478724	0	55	0.0	-77.52	411.44	3.77	-73.75
CC[N@H+](C)CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478729	0	49	0.0	-77.04	371.97	2.36	-74.68
CC[N@H+](CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029478761	0	53	0.0	-70.68	399.24	3.70	-66.98
CC[NH+](CC)CCC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478771	0	55	0.0	-74.69	406.81	3.40	-71.29
CC1(C)CN(CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029478788	0	53	0.0	-76.81	403.65	3.37	-73.44
CC1(C)C[NH+](CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029478788	1	53	0.0	-76.81	403.65	3.37	-73.44
CC1(O)CC[N@H+](CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029478806	0	54	0.0	-77.62	410.82	0.11	-77.51
C[NH+](C)CC=CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478809	0	50	0.0	-74.27	388.11	2.92	-71.35
CC(OCC[NH+](C)C)C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478818	0	56	0.0	-69.13	424.43	3.25	-65.88
C[NH+](C)CCOCCC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478824	0	56	0.0	-74.80	430.04	2.53	-72.27
COCCN(C)CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478825	0	53	0.0	-77.23	404.33	1.55	-75.68
COCC[N@H+](C)CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478825	1	53	0.0	-78.02	404.58	1.53	-76.49
COCC[N@@H+](C)CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478825	1	53	0.0	-78.02	404.58	1.53	-76.49
C[NH+](C)C1(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCCC1	REAL300029478845	0	56	0.0	-75.41	396.71	3.15	-72.26
CC(CCC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029478847	0	55	0.0	-72.95	410.55	3.49	-69.46
CC[N@@H+]1CCC1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478853	1	50	0.0	-72.75	375.90	2.26	-70.49
CC[N@H+]1CCC1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478853	1	50	0.0	-75.57	384.10	2.70	-72.87
O=C(C[N@H+]1CCCC1CO)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478865	0	54	0.0	-75.79	408.40	0.17	-75.62
O=C(C[N@@H+]1CCCC1CO)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478865	1	54	0.0	-71.16	400.15	0.23	-70.93
C[NH+]1CCC(C)(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029478886	0	56	0.0	-67.25	402.27	3.18	-64.07
C=CCC(C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029478904	0	53	0.0	-70.86	397.03	3.24	-67.62
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478911	0	56	0.0	-74.63	412.85	3.39	-71.24
C[N@H+]1CC(C)(C)CC1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478911	1	56	0.0	-74.64	406.16	3.30	-71.34
C[NH+](C)CCCCCC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478913	0	58	0.0	-75.35	440.07	4.66	-70.69
O=C(C[NH+]1CC2CC2C1)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478918	0	51	0.0	-77.41	389.72	3.58	-73.83
CCCC(C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029478933	0	55	0.0	-71.14	404.54	3.49	-67.65
C[NH+](C)C(C)(C)C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478936	0	52	0.0	-76.04	373.86	2.16	-73.88
C[N@@H+]1CCCCC1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478961	0	53	0.0	-71.01	394.67	3.27	-67.74
C[N@H+]1CCCCC1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478961	1	53	0.0	-71.72	394.10	3.22	-68.50
C[N@H+]1CC=C(CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029478984	0	54	0.0	-74.29	413.37	4.09	-70.20
C[N@@H+]1CC=C(CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029478984	1	54	0.0	-71.65	412.12	4.11	-67.54
O=C(C=CC[NH+]1CCCC1)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029479018	0	54	0.0	-73.67	414.45	4.12	-69.55
C[NH+](C)C1(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029479048	0	50	0.0	-77.96	375.41	2.43	-75.53
O=C(CC[NH+]1CCCC1)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029479050	0	53	0.0	-74.99	401.54	3.46	-71.53
O=C(C1=CC(=O)[N-]O1)N1CCC2(C1)CN(C(=O)C1C[NH+]3CCN1CC3)CCO2	REAL300029479073	0	53	0.0	-83.29	385.88	-0.17	-83.46
C[N@@H+]1CC2CC1(C(=O)N1CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029479077	0	51	0.0	-76.50	381.06	2.77	-73.73
C[N@H+]1CC2CC1(C(=O)N1CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029479077	1	51	0.0	-75.90	381.49	2.79	-73.11
O=C(C[N@@H+]1CC2CCC1C2)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029479084	0	54	0.0	-75.15	400.82	3.82	-71.33
O=C(C[N@H+]1CC2CCC1C2)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029479084	1	54	0.0	-74.70	399.42	3.83	-70.87
O=C(C[N@@H+]1CC2C=CC1C2)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029479122	1	52	0.0	-73.29	393.40	3.60	-69.69
O=C(C[N@H+]1CC2C=CC1C2)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029479122	1	52	0.0	-73.20	393.24	3.56	-69.64
CC(C[NH+](C)C)C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029479154	0	52	0.0	-77.85	391.72	2.79	-75.06
C[N@@H+]1CCCCC1CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029479198	0	56	0.0	-76.70	413.41	3.91	-72.79
C[N@H+]1CCCCC1CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029479198	1	56	0.0	-79.21	413.38	3.95	-75.26
CC(C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CC(C)C1	REAL300029479208	1	53	0.0	-74.41	399.34	3.17	-71.24
CC1CC[N@@H+]1CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029479210	1	50	0.0	-75.94	385.60	2.78	-73.16
CC1CC[N@H+]1CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029479210	1	50	0.0	-71.24	380.05	2.50	-68.74
C[NH+](C)CC(O)CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029479213	0	53	0.0	-78.92	405.67	0.75	-78.17
CC1C[N@H+](C)CC(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029479233	1	54	0.0	-87.92	401.08	2.27	-85.65
CC1C[N@@H+](C)CC(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029479233	1	54	0.0	-86.56	408.38	2.66	-83.90
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029479275	0	53	0.0	-75.99	401.78	3.45	-72.54
CC(CC[NH+](C)C)C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029479280	0	55	0.0	-81.21	413.84	3.46	-77.75
C[NH+]1CCN(CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029479297	1	55	0.0	-72.26	412.28	1.19	-71.07
NC(=[NH2+])SCC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029479319	0	44	0.0	-76.12	361.74	-1.35	-77.47
C[NH+](C)CCC1(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029479347	0	56	0.0	-77.18	427.45	4.12	-73.06
C[N@@H+]1CC=CCC1CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029479348	0	54	0.0	-77.72	405.36	3.79	-73.93
C[N@H+]1CC=CCC1CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029479348	1	54	0.0	-78.43	404.24	3.79	-74.64
C[C@@H](OCC[NH+](C)C)C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029479360	0	56	0.0	-69.47	425.52	3.26	-66.21
CCC1CN(CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029479438	0	53	0.0	-77.66	405.57	3.57	-74.09
CCC1C[NH+](CC(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029479438	1	53	0.0	-77.66	405.57	3.57	-74.09
C[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029479443	0	50	0.0	-73.74	371.63	2.23	-71.51
O=C(CC[N@H+]1CCC(F)C1)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029479449	0	53	0.0	-82.97	408.86	3.55	-79.42
CC1C(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029479468	0	53	0.0	-74.25	391.75	2.74	-71.51
CC1C(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029479468	1	53	0.0	-74.25	391.75	2.74	-71.51
CN1CCOCC1CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029479497	0	54	0.0	-80.29	404.77	1.54	-78.75
C[N@@H+]1CCOCC1CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029479497	1	54	0.0	-82.77	403.62	1.58	-81.19
C[N@H+]1CCOCC1CC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029479497	1	54	0.0	-82.77	403.62	1.58	-81.19
C[N@@H+]1CCCC1C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029479667	0	50	0.0	-65.93	371.62	2.24	-63.69
CN1CCOC(C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300029479693	0	51	0.0	-77.50	386.29	1.89	-75.61
C[N@@H+]1CCOC(C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300029479693	1	51	0.0	-71.49	386.30	1.94	-69.55
C[N@H+]1CCOC(C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300029479693	1	51	0.0	-71.49	386.30	1.94	-69.55
O=C(CCN1CCOCC1)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029479844	0	54	0.0	-69.87	407.90	1.66	-68.21
O=C(CC[NH+]1CCOCC1)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029479844	1	54	0.0	-69.87	407.90	1.66	-68.21
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1	REAL300029479854	0	54	0.0	-61.34	390.49	3.09	-58.25
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)C2)C1	REAL300029479860	1	48	0.0	-72.70	388.41	5.00	-67.70
C[N@@H+]1CCC(CC(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300029479886	0	53	0.0	-69.99	401.07	3.32	-66.67
C[N@H+]1CCC(CC(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300029479886	1	53	0.0	-76.79	400.14	3.33	-73.46
CCC(C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300029479893	0	52	0.0	-68.65	382.05	2.47	-66.18
C[NH+](C)CCCCC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029479928	0	55	0.0	-78.62	418.60	3.84	-74.78
CC(C)C(C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300029479942	0	55	0.0	-65.53	395.44	3.37	-62.16
CCC[N@H+](C)CCC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029479943	0	55	0.0	-74.17	414.45	3.57	-70.60
CCC[N@@H+](C)CCC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029479943	1	55	0.0	-75.94	415.91	3.70	-72.24
CCC[N@H+](C)CC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029479946	0	52	0.0	-69.18	392.09	3.00	-66.18
CCC[N@@H+](C)CC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029479946	1	52	0.0	-69.41	392.09	2.99	-66.42
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C34CC[N@H+](C3)CCC4)C2)C1	REAL300029479960	0	54	0.0	-74.11	386.17	2.57	-71.54
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C34CC[N@@H+](C3)CCC4)C2)C1	REAL300029479960	1	54	0.0	-72.23	386.03	2.54	-69.69
CC1CC[NH+](CC(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC1	REAL300029479993	0	56	0.0	-72.35	416.88	4.20	-68.15
C[NH+](C)CC1(C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC1	REAL300029480032	0	53	0.0	-75.36	399.11	3.55	-71.81
CC[N@H+](C)CCC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029480051	0	52	0.0	-75.25	394.41	2.95	-72.30
CC[N@@H+](C)CCC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029480051	1	52	0.0	-67.77	392.73	2.86	-64.91
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C3C[NH+]4CCC3CC4)C2)C1	REAL300029480064	0	54	0.0	-82.67	390.94	3.15	-79.52
C[NH+]1CCC(C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC1	REAL300029480111	0	53	0.0	-78.18	397.55	3.13	-75.05
CC(C)[C@H](C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300029480127	0	55	0.0	-66.77	397.40	3.38	-63.39
CC[NH+](CC)CC(F)C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029480180	0	55	0.0	-75.43	409.57	3.28	-72.15
C[NH+](C)C1(C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CCC1	REAL300029480198	0	53	0.0	-70.64	380.54	2.48	-68.16
CCC(C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](CC)CC	REAL300029480226	0	58	0.0	-58.15	415.67	3.80	-54.35
CC1CCC[N@@H+]1CC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029480236	0	53	0.0	-65.97	391.93	3.09	-62.88
CC1CCC[N@H+]1CC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029480236	1	53	0.0	-66.35	399.47	3.49	-62.86
CC(C)[N@@H+]1CCCC1C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029480274	0	56	0.0	-70.32	403.97	3.85	-66.47
CC(C)[N@H+]1CCCC1C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029480274	1	56	0.0	-66.05	404.50	3.99	-62.06
CC(C)[C@@H](C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300029480281	0	55	0.0	-70.28	395.75	3.14	-67.14
CC1CC[N@H+](CC(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300029480294	0	53	0.0	-67.85	399.33	3.29	-64.56
CC1CC[N@@H+](CC(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300029480294	1	53	0.0	-65.45	400.31	3.47	-61.98
CC1(C)CC[N@H+](CC(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300029480298	0	56	0.0	-68.20	419.35	3.96	-64.24
CC1(C)CC[N@@H+](CC(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300029480298	1	56	0.0	-69.04	418.84	3.96	-65.08
C[N@H+](CC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)CC(C)(C)C	REAL300029480299	0	58	0.0	-69.15	420.69	4.05	-65.10
C[N@@H+](CC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)CC(C)(C)C	REAL300029480299	1	58	0.0	-69.25	423.18	4.14	-65.11
CC[C@@H](C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300029480307	0	52	0.0	-70.86	383.09	2.66	-68.20
CC1=[NH+]C=CN1CC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029480412	1	48	0.0	-65.43	382.67	3.32	-62.11
CC[N@@H+]1CCOC(C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300029480467	1	54	0.0	-81.62	404.09	2.55	-79.07
CC[N@H+]1CCOC(C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300029480467	1	54	0.0	-81.17	404.14	2.52	-78.65
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)C2)C1	REAL300029480496	0	48	0.0	-70.60	388.24	4.98	-65.62
CC1=C[NH+]=CN1CC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029480499	1	48	0.0	-70.35	382.62	3.92	-66.43
C[C@@H]1[C@H](C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC[N@@H+]1C	REAL300029480505	0	53	0.0	-67.26	390.14	2.92	-64.34
C[C@@H]1[C@H](C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC[N@H+]1C	REAL300029480505	1	53	0.0	-66.56	394.29	2.86	-63.70
CC[C@@H]1[C@@H](C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC[N@@H+]1C	REAL300029480507	0	56	0.0	-69.89	406.91	3.13	-66.76
CC[C@@H]1[C@@H](C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC[N@H+]1C	REAL300029480507	1	56	0.0	-63.31	413.63	3.74	-59.57
CC1CCC(C)[NH+]1CC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029480514	0	56	0.0	-69.44	409.86	3.61	-65.83
O=C(CCC[NH+]1CCCC1)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029480517	0	56	0.0	-74.69	423.40	4.22	-70.47
O=C(CC[NH+]1CCCCC1)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029480521	0	56	0.0	-66.82	416.63	4.07	-62.75
CC[N@@H+]1CCCCC1C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029480524	0	56	0.0	-63.01	410.58	3.72	-59.29
CC[N@H+]1CCCCC1C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029480524	1	56	0.0	-65.15	404.50	3.57	-61.58
C[N@H+](CC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1CCC1	REAL300029480615	0	53	0.0	-66.48	398.96	3.57	-62.91
C[N@@H+](CC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1CCC1	REAL300029480615	1	53	0.0	-66.28	400.45	3.72	-62.56
C[NH+]1CCC(C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC1	REAL300029480643	0	53	0.0	-78.18	397.55	3.13	-75.05
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029480671	0	50	0.0	-66.79	372.63	2.10	-64.69
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029480671	1	50	0.0	-63.81	376.33	2.60	-61.21
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029480688	1	52	0.0	-63.56	399.46	3.45	-60.11
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029480688	1	52	0.0	-62.65	402.32	3.83	-58.82
C[N@@H+]1CCCC1CCC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029480693	0	56	0.0	-70.73	421.46	4.15	-66.58
C[N@H+]1CCCC1CCC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029480693	1	56	0.0	-67.04	415.01	3.78	-63.26
C[N@@H+]1CCCCC1C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029480762	0	53	0.0	-72.32	385.98	2.89	-69.43
C[N@H+]1CCCCC1C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029480762	1	53	0.0	-62.53	395.61	3.24	-59.29
CC1C(C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC[N@@H+]1C	REAL300029480817	0	53	0.0	-69.80	394.96	3.04	-66.76
CC1C(C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC[N@H+]1C	REAL300029480817	1	53	0.0	-67.43	394.91	2.98	-64.45
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029480871	0	56	0.0	-66.74	415.47	3.40	-63.34
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029480871	1	56	0.0	-66.69	400.04	2.59	-64.10
C[C@@H](C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300029480885	0	49	0.0	-62.25	369.31	1.98	-60.27
C=CCC(C)(C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300029480899	0	56	0.0	-67.91	395.94	3.37	-64.54
O=C(CC[NH+]1CCCC1)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029480914	0	53	0.0	-74.61	402.63	3.47	-71.14
C[N@H+](CCO)CC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029480923	1	50	0.0	-68.81	382.36	-0.83	-69.64
C[N@@H+](CCO)CC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029480923	1	50	0.0	-69.83	380.77	-1.01	-70.84
C[N@H+]1CC=C(CC(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC1	REAL300029480976	0	54	0.0	-70.90	411.99	3.94	-66.96
C[N@@H+]1CC=C(CC(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC1	REAL300029480976	1	54	0.0	-68.41	412.35	4.08	-64.33
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029480997	0	54	0.0	-65.26	394.63	-0.86	-66.12
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029480997	1	54	0.0	-71.59	392.24	-0.44	-72.03
CC1C[NH+](CC(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300029481025	1	50	0.0	-72.27	385.60	2.82	-69.45
CC[N@@H+]1CCCC(C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300029481031	0	56	0.0	-61.07	404.35	3.80	-57.27
CC[N@H+]1CCCC(C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300029481031	1	56	0.0	-68.50	404.43	3.62	-64.88
NC1=[NH+]C=CC=C1CC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481035	0	49	0.0	-65.61	388.53	1.57	-64.04
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C3CCC[N@@H+]3C3CC3)C2)C1	REAL300029481042	0	54	0.0	-63.48	407.36	4.06	-59.42
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C3CCC[N@H+]3C3CC3)C2)C1	REAL300029481042	1	54	0.0	-64.94	404.11	3.96	-60.98
O=C(C=CC[NH+]1CCCC1)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481068	0	54	0.0	-77.97	414.15	3.98	-73.99
CC[N@H+](C)CC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481111	0	49	0.0	-69.20	370.59	2.25	-66.95
O=C(CN1CC2C=CC1C2)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481144	0	52	0.0	-62.55	393.37	3.61	-58.94
O=C(C[N@@H+]1CC2C=CC1C2)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481144	1	52	0.0	-62.98	393.47	3.60	-59.38
O=C(C[N@H+]1CC2C=CC1C2)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481144	1	52	0.0	-62.98	393.47	3.60	-59.38
CC(OCC[NH+](C)C)C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481224	0	56	0.0	-63.96	424.56	3.26	-60.70
C[NH+](C)CCOCCC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481231	0	56	0.0	-75.25	431.13	2.54	-72.71
COCCN(C)CC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481233	0	53	0.0	-69.33	403.02	1.41	-67.92
COCC[N@H+](C)CC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481233	1	53	0.0	-68.94	404.61	1.58	-67.36
COCC[N@@H+](C)CC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481233	1	53	0.0	-68.94	404.61	1.58	-67.36
CC(CCC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300029481236	0	55	0.0	-73.97	411.39	3.37	-70.60
CC[N@H+](CC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1CC1	REAL300029481251	0	53	0.0	-69.87	398.69	3.56	-66.31
C[N@@H+]1CC2CC1(C(=O)N1CCC3(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO3)C2	REAL300029481277	0	51	0.0	-76.54	380.06	2.70	-73.84
O=C(C[N@@H+]1CC2CCC1C2)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481286	0	54	0.0	-63.58	398.59	3.64	-59.94
O=C(C[N@H+]1CC2CCC1C2)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481286	1	54	0.0	-63.58	398.59	3.64	-59.94
CC(C[NH+](C)C)C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481300	0	52	0.0	-75.32	388.44	2.62	-72.70
CCN1CCC1C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481335	0	50	0.0	-66.95	376.24	2.29	-64.66
CC[N@@H+]1CCC1C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481335	1	50	0.0	-67.27	377.37	2.25	-65.02
CC[N@H+]1CCC1C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481335	1	50	0.0	-67.27	377.37	2.25	-65.02
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481344	0	58	0.0	-68.27	416.45	1.94	-66.33
CCCC(C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300029481378	0	55	0.0	-71.54	404.89	3.45	-68.09
C[NH+](C)C(C)(C)C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481382	0	52	0.0	-75.78	373.46	2.06	-73.72
CC(CC[NH+](C)C)C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481395	0	55	0.0	-75.79	410.07	3.23	-72.56
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481449	0	56	0.0	-64.96	413.01	3.18	-61.78
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481449	1	56	0.0	-64.96	413.01	3.18	-61.78
C[NH+](C)CCCCCC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481451	0	58	0.0	-77.00	441.18	4.67	-72.33
CN1CCN(CC(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC1	REAL300029481458	0	55	0.0	-66.96	411.66	1.11	-65.85
C[NH+]1CCN(CC(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC1	REAL300029481458	1	55	0.0	-66.96	411.66	1.11	-65.85
CC1CN(C)CC(C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)O1	REAL300029481508	0	54	0.0	-65.19	400.77	2.33	-62.86
CC1C[N@H+](C)CC(C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)O1	REAL300029481508	1	54	0.0	-62.51	400.88	2.58	-59.93
CC1C[N@@H+](C)CC(C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)O1	REAL300029481508	1	54	0.0	-62.51	400.88	2.58	-59.93
C[N@@H+]1CCCCC1C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481561	0	53	0.0	-62.53	395.61	3.24	-59.29
C[N@@H+]1CCC(=CC(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300029481628	0	51	0.0	-72.26	391.14	3.21	-69.05
C[N@H+]1CCC(=CC(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300029481628	1	51	0.0	-72.26	391.14	3.21	-69.05
O=C(CNC1=CC=[NH+]C=C1)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481631	0	49	0.0	-75.72	388.95	0.95	-74.77
C[NH+](C)C1(C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CCCC1	REAL300029481685	0	56	0.0	-62.77	393.88	3.25	-59.52
CCC1CN(CC(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300029481694	0	53	0.0	-73.26	406.97	3.58	-69.68
CCC1C[NH+](CC(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300029481694	1	53	0.0	-73.26	406.97	3.58	-69.68
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481704	0	50	0.0	-62.23	371.25	2.24	-59.99
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300029481794	0	53	0.0	-66.11	402.16	3.45	-62.66
C[NH+](C)CCC1(C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC1	REAL300029481803	0	56	0.0	-74.01	423.95	3.95	-70.06
C[N@@H+]1CC=CCC1CC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481804	0	54	0.0	-68.33	402.90	3.71	-64.62
C[N@H+]1CC=CCC1CC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481804	1	54	0.0	-68.33	402.90	3.71	-64.62
C[NH+](C)CCOCC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481837	0	53	0.0	-73.75	410.18	2.83	-70.92
[NH2+]=C1SC=CN1CC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481863	0	46	0.0	-66.35	379.92	1.76	-64.59
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481899	0	56	0.0	-69.66	424.61	3.18	-66.48
C[N@@H+]1CCCC(C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300029481927	0	53	0.0	-69.52	389.87	3.24	-66.28
C[N@H+]1CCCC(C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300029481927	1	53	0.0	-69.52	389.87	3.24	-66.28
O=C(C[NH+]1CCCCCC1)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481928	0	56	0.0	-67.21	405.42	3.80	-63.41
CN1C=C[N+](CC(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)=C1	REAL300029481931	0	48	0.0	-62.24	383.87	5.13	-57.11
O=C(CN1CCC(O)CC1)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481951	0	54	0.0	-76.93	407.12	0.23	-76.70
O=C(C[NH+]1CCC(O)CC1)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481951	1	54	0.0	-76.93	407.12	0.23	-76.70
C[N@H+](CC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1CC1	REAL300029481952	0	50	0.0	-62.27	382.04	3.04	-59.23
O=C(CC[N@H+]1CCC(F)C1)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481955	0	53	0.0	-77.26	407.30	3.52	-73.74
CC(CC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C[NH+](C)C	REAL300029481975	0	55	0.0	-69.85	409.82	3.65	-66.20
CN1CCOCC1CC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481994	0	54	0.0	-59.28	395.76	1.32	-57.96
C[N@@H+]1CCOCC1CC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481994	1	54	0.0	-71.70	403.26	1.48	-70.22
C[N@H+]1CCOCC1CC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481994	1	54	0.0	-71.70	403.26	1.48	-70.22
CC1=CC(N)=NC=C1C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029482033	0	49	0.0	-68.27	382.51	0.96	-67.31
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029482033	1	49	0.0	-68.27	382.51	0.96	-67.31
CC1(O)CC[N@H+](CC(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300029482062	0	54	0.0	-66.86	410.83	0.17	-66.69
C[NH+]1CC(CC(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300029482088	0	50	0.0	-75.99	384.53	2.54	-73.45
C[N@H+](CCO)CCC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029482113	0	53	0.0	-72.73	403.17	-0.39	-73.12
C[N@@H+](CCO)CCC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029482113	1	53	0.0	-72.73	403.17	-0.39	-73.12
C[N@@H+]1CCCCC1CC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029482129	0	56	0.0	-76.16	411.49	3.80	-72.36
C[N@H+]1CCCCC1CC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029482129	1	56	0.0	-76.16	411.49	3.80	-72.36
CC1CCN1CC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029482142	0	50	0.0	-64.31	385.30	2.71	-61.60
CC1CC[N@@H+]1CC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029482142	1	50	0.0	-63.94	379.75	2.44	-61.50
CC1CC[N@H+]1CC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029482142	1	50	0.0	-63.94	379.75	2.44	-61.50
C[NH+](C)CC=CC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029482148	0	50	0.0	-70.71	387.67	2.83	-67.88
CC1(C)CN(CC(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300029482154	0	53	0.0	-65.18	403.01	3.20	-61.98
CC1(C)C[NH+](CC(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300029482154	1	53	0.0	-65.18	403.01	3.20	-61.98
C[NH+](C)CCSCC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029482173	0	53	0.0	-81.12	421.20	3.70	-77.42
O=C(C[N@H+]1CCCC1CO)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029482190	0	54	0.0	-68.87	407.38	0.26	-68.61
CC[NH+](CC)CC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029482194	0	52	0.0	-69.99	385.59	2.67	-67.32
O=C(CN1CCC1)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029482203	0	47	0.0	-68.50	364.58	2.20	-66.30
O=C(C[NH+]1CCC1)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029482203	1	47	0.0	-68.50	364.58	2.20	-66.30
CC[NH+](CC)CCC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029482233	0	55	0.0	-74.25	412.00	3.55	-70.70
CC(C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)N1CCC1	REAL300029482289	0	50	0.0	-70.07	375.70	2.14	-67.93
CC(C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+]1CCC1	REAL300029482289	1	50	0.0	-70.07	375.70	2.14	-67.93
CCC(CC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C[NH+](C)C	REAL300029482294	0	58	0.0	-76.73	425.14	4.12	-72.61
C[NH+](C)CC(C)(C)C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029482300	0	55	0.0	-74.57	393.87	2.79	-71.78
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029482334	0	53	0.0	-64.35	393.33	3.13	-61.22
C[NH+](C)CC(O)CC(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029482356	0	53	0.0	-79.94	406.91	0.80	-79.14
C=CCC(C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300029482377	0	53	0.0	-71.52	396.84	3.20	-68.32
C[NH+]1CCC(C)(C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC1	REAL300029482389	0	56	0.0	-61.37	400.23	3.08	-58.29
C[NH+](C)CCSCC(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029482449	0	53	0.0	-79.60	420.10	3.70	-75.90
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1CCC[N@@H+]1C	REAL300029482611	0	51	0.0	-75.17	378.85	2.92	-72.25
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1CN(C)CCO1	REAL300029482635	0	52	0.0	-84.30	392.21	3.09	-81.21
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1C[N@H+](C)CCO1	REAL300029482635	1	52	0.0	-72.11	385.13	2.97	-69.14
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1C[N@@H+](C)CCO1	REAL300029482635	1	52	0.0	-72.11	385.13	2.97	-69.14
CC(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1CCCCCC1	REAL300029482796	0	60	0.0	-68.76	428.13	4.90	-63.86
CC(C)[N@@H+]1CCCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029482798	0	60	0.0	-67.09	421.93	5.31	-61.78
CC(C)[N@H+]1CCCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029482798	1	60	0.0	-67.09	421.93	5.31	-61.78
CC(C)[N@@H+]1CCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029482819	0	57	0.0	-70.57	417.99	4.61	-65.96
CC(C)[N@H+]1CCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029482819	1	57	0.0	-70.57	417.99	4.61	-65.96
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1CC2CCCC[N@@H+]2C1	REAL300029482835	0	58	0.0	-72.75	422.14	5.30	-67.45
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1CC2CCCC[N@H+]2C1	REAL300029482835	1	58	0.0	-72.75	422.14	5.30	-67.45
CC(C)C1=[NH+]C=CN1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029482856	1	55	0.0	-68.54	420.38	5.36	-63.18
CC1=[NH+]C=CN1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029482886	1	49	0.0	-69.26	384.43	4.36	-64.90
CC(C[NH+]1CCOCC1)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029482887	0	58	0.0	-74.67	426.08	3.37	-71.30
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CCC[NH+]1CCCCC1	REAL300029482903	0	60	0.0	-73.58	440.24	5.87	-67.71
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C(C)(C)[NH+]1CCCCC1	REAL300029482921	0	60	0.0	-70.18	428.40	5.47	-64.71
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1C[NH+]2CCC1CC2	REAL300029482929	0	55	0.0	-79.60	396.25	4.55	-75.05
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1CCCC2CCC[N@@H+]21	REAL300029482970	0	58	0.0	-66.44	419.33	5.46	-60.98
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1CCCC2CCC[N@H+]21	REAL300029482970	1	58	0.0	-68.51	423.61	5.32	-63.19
C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)CC[N@@H+]1C	REAL300029482984	0	54	0.0	-76.23	395.56	3.45	-72.78
C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)CC[N@H+]1C	REAL300029482984	1	54	0.0	-75.26	396.86	3.92	-71.34
CC[C@@H]1[C@@H](C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)CC[N@@H+]1C	REAL300029482988	0	57	0.0	-72.23	416.10	4.06	-68.17
CC[C@@H]1[C@@H](C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)CC[N@H+]1C	REAL300029482988	1	57	0.0	-72.35	419.63	4.73	-67.62
CC[N@@H+]1CCOC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029482998	1	55	0.0	-71.52	402.90	3.61	-67.91
CC[N@H+]1CCOC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029482998	1	55	0.0	-78.12	403.12	3.68	-74.44
CC[NH+](CC)CC(F)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029483039	0	56	0.0	-71.79	414.11	4.36	-67.43
CC1CCC(C)[NH+]1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029483102	0	57	0.0	-69.26	412.54	4.69	-64.57
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CCC[NH+]1CCCC1	REAL300029483108	0	57	0.0	-73.36	424.57	5.17	-68.19
C#CC[NH+]1CCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300029483113	0	56	0.0	-76.34	428.29	5.30	-71.04
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CC[NH+]1CCCCC1	REAL300029483114	0	57	0.0	-73.57	418.24	5.03	-68.54
CC[N@@H+]1CCCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029483120	0	57	0.0	-68.58	418.31	4.60	-63.98
CC[N@H+]1CCCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029483120	1	57	0.0	-69.81	405.94	4.79	-65.02
CC(C)C[N@@H+]1CCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029483134	0	60	0.0	-71.75	443.92	5.43	-66.32
CC(C)C[N@H+]1CCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029483134	1	60	0.0	-73.60	439.56	5.56	-68.04
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1([NH+](C)C)CCC1	REAL300029483138	0	54	0.0	-75.41	386.30	4.03	-71.38
CC(C)[N@@H+]1CCCC1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029483140	0	60	0.0	-70.94	432.95	5.28	-65.66
CC(C)[N@H+]1CCCC1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029483140	1	60	0.0	-70.95	433.65	5.23	-65.72
CC(C)[C@@H](C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300029483153	0	56	0.0	-72.58	405.14	4.87	-67.71
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C[N@H+](C)C1CCC1	REAL300029483194	0	54	0.0	-70.44	405.28	4.47	-65.97
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C[N@@H+](C)C1CCC1	REAL300029483194	1	54	0.0	-69.82	405.15	4.47	-65.35
CC(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1C(C)CCC1C	REAL300029483253	0	60	0.0	-66.62	425.01	5.06	-61.56
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029483312	1	53	0.0	-69.69	401.63	4.50	-65.19
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029483312	1	53	0.0	-69.44	411.17	4.67	-64.77
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CCC1CCC[N@@H+]1C	REAL300029483318	0	57	0.0	-72.79	416.92	4.76	-68.03
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CCC1CCC[N@H+]1C	REAL300029483318	1	57	0.0	-75.33	426.44	4.98	-70.35
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C12CCC[NH+](CCC1)C2	REAL300029483327	0	58	0.0	-72.41	416.44	4.68	-67.73
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1CCC2CCCC[N@@H+]21	REAL300029483330	0	58	0.0	-71.33	419.54	4.86	-66.47
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1CCC2CCCC[N@H+]21	REAL300029483330	1	58	0.0	-67.30	422.63	5.58	-61.72
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CCCC[NH+]1CCCC1	REAL300029483346	0	60	0.0	-73.73	446.07	5.95	-67.78
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1CC[NH+](C)CC1	REAL300029483357	0	54	0.0	-75.49	399.59	4.42	-71.07
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1=NOC(C[NH+](C)C)=C1	REAL300029483392	1	53	0.0	-81.58	418.16	3.52	-78.06
CC1=C(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C=CC2=C[NH+]=CN21	REAL300029483393	0	52	0.0	-74.97	402.79	6.22	-68.75
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1CCCC[N@@H+]1C	REAL300029483424	0	54	0.0	-71.27	388.45	4.10	-67.17
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1CCCC[N@H+]1C	REAL300029483424	1	54	0.0	-68.73	397.57	4.29	-64.44
CC(C)C[N@@H+]1CCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029483446	0	60	0.0	-71.73	443.98	5.68	-66.05
CC(C)C[N@H+]1CCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029483446	1	60	0.0	-70.08	429.23	5.94	-64.14
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300029483546	0	49	0.0	-73.08	389.22	5.98	-67.10
CC1=[NH+]C=CN1CCCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029483554	1	55	0.0	-71.02	425.66	5.54	-65.48
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CC[NH+]1CCOCC1	REAL300029483559	1	55	0.0	-76.66	410.01	2.64	-74.02
CC1=C[NH+]=CN1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029483589	1	49	0.0	-73.05	383.74	5.05	-68.00
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C12CCC[NH+]1CCC2	REAL300029483628	0	55	0.0	-77.60	403.63	4.48	-73.12
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1CCCC([NH+](C)C)C1	REAL300029483652	0	60	0.0	-67.10	431.34	5.15	-61.95
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CC1CC[N@H+](C)C1	REAL300029483655	0	54	0.0	-75.84	401.22	4.24	-71.60
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CC1CC[N@@H+](C)C1	REAL300029483655	1	54	0.0	-73.60	406.04	4.06	-69.54
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1=C[NH+]=CC=C1N(C)C	REAL300029483667	0	53	0.0	-83.21	409.77	3.29	-79.92
CCC(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300029483672	0	53	0.0	-71.03	384.62	3.63	-67.40
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CC1([NH+](C)C)CCCC1	REAL300029483684	0	60	0.0	-77.95	422.87	4.92	-73.03
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300029483725	1	49	0.0	-76.95	389.49	6.00	-70.95
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CCCC[NH+](C)C	REAL300029483779	0	56	0.0	-75.24	420.10	4.76	-70.48
CC(C)C(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300029483799	0	56	0.0	-69.09	398.55	4.16	-64.93
CCC[N@H+](C)CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029483801	0	56	0.0	-74.69	416.29	4.60	-70.09
CCC[N@@H+](C)CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029483801	1	56	0.0	-74.80	416.29	4.59	-70.21
CCC[N@H+](C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029483806	0	53	0.0	-72.84	394.26	4.16	-68.68
CCC[N@@H+](C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029483806	1	53	0.0	-73.01	394.26	4.16	-68.85
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C12CC[N@H+](C1)CCC2	REAL300029483829	0	55	0.0	-73.18	396.91	3.98	-69.20
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C12CC[N@@H+](C1)CCC2	REAL300029483829	1	55	0.0	-78.39	395.58	3.96	-74.43
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)[C@H]1CCC[N@@H+]1C	REAL300029483865	0	51	0.0	-69.51	381.23	3.65	-65.86
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)[C@H]1CCC[N@H+]1C	REAL300029483865	1	51	0.0	-70.45	374.67	3.16	-67.29
CCCCCC[N@H+](C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029483922	0	62	0.0	-74.02	458.76	6.50	-67.52
CCCCCC[N@@H+](C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029483922	1	62	0.0	-74.07	458.76	6.50	-67.57
CC[NH+](CC)C(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)C(C)C	REAL300029483926	0	62	0.0	-68.08	434.97	5.71	-62.37
CC[NH+](CC)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029483935	0	53	0.0	-71.41	390.43	3.96	-67.45
CCC[N@@H+]1CCCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029483967	0	60	0.0	-66.08	432.55	5.98	-60.10
CCC[N@H+]1CCCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029483967	1	60	0.0	-71.32	442.74	5.50	-65.82
CC(C)[N@@H+]1CCOC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029483982	0	58	0.0	-70.29	419.80	4.20	-66.09
CC(C)[N@H+]1CCOC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029483982	1	58	0.0	-70.25	419.88	4.21	-66.04
CC1CC[NH+](CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300029484011	0	57	0.0	-73.13	417.35	5.13	-68.00
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)COC1CC[NH+](C)CC1	REAL300029484037	0	58	0.0	-79.40	434.69	4.72	-74.68
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1(C[NH+](C)C)CC1	REAL300029484048	0	54	0.0	-77.61	402.30	4.64	-72.97
CC(C)[NH+]1CCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300029484121	0	60	0.0	-73.14	433.96	5.60	-67.54
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1CC[NH+](C)CC1	REAL300029484139	0	54	0.0	-75.49	399.59	4.42	-71.07
CC(C)[C@H](C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300029484157	0	56	0.0	-69.70	403.91	4.81	-64.89
CCC(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](CC)CC	REAL300029484188	0	59	0.0	-66.75	419.33	5.03	-61.72
CC[N@H+](C)CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029484244	0	53	0.0	-73.98	394.79	3.84	-70.14
CC[N@@H+](C)CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029484244	1	53	0.0	-74.12	394.79	3.84	-70.28
CC1CCC[N@@H+]1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029484300	0	54	0.0	-69.46	393.40	4.01	-65.45
CC1CCC[N@H+]1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029484300	1	54	0.0	-69.60	403.41	4.23	-65.37
CC1CC[N@H+](CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029484302	0	54	0.0	-71.44	405.06	4.23	-67.21
CC1CC[N@@H+](CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029484302	1	54	0.0	-71.95	400.20	4.33	-67.62
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C[N@@H+]1CCC(C)(C)C1	REAL300029484306	0	57	0.0	-71.30	424.45	4.64	-66.66
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C[N@H+]1CCC(C)(C)C1	REAL300029484306	1	57	0.0	-71.20	424.09	4.73	-66.47
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C[N@H+](C)CC(C)(C)C	REAL300029484307	0	59	0.0	-72.69	424.84	5.23	-67.46
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C[N@@H+](C)CC(C)(C)C	REAL300029484307	1	59	0.0	-72.10	426.30	4.86	-67.24
CC[C@@H](C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300029484315	0	53	0.0	-70.98	384.42	3.65	-67.33
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CC1(O)CC[NH+](C)CC1	REAL300029484472	0	58	0.0	-73.52	425.23	2.94	-70.58
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C[NH+](C)C	REAL300029484484	0	47	0.0	-73.22	354.74	2.63	-70.59
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C[NH+]1CCC(CO)CC1	REAL300029484488	1	58	0.0	-74.39	428.18	1.82	-72.57
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C[NH+]1CCCCCC1	REAL300029484489	0	57	0.0	-72.45	405.82	4.69	-67.76
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C[N+]1=CN(C)C=C1	REAL300029484493	0	49	0.0	-71.35	385.97	6.14	-65.21
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1CCC[N@H+](C)C1	REAL300029484500	0	54	0.0	-67.85	393.18	4.50	-63.35
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1CCC[N@@H+](C)C1	REAL300029484500	1	54	0.0	-72.99	399.23	4.22	-68.77
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1CCC[N@@H+]1C1CC1	REAL300029484505	0	55	0.0	-67.75	412.47	5.27	-62.48
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1CCC[N@H+]1C1CC1	REAL300029484505	1	55	0.0	-74.08	409.07	4.22	-69.86
CC(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1CCC1	REAL300029484532	1	51	0.0	-70.07	384.64	3.57	-66.50
CCC(CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)C[NH+](C)C	REAL300029484537	0	59	0.0	-74.29	426.02	5.13	-69.16
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C(C)(C)C[NH+](C)C	REAL300029484544	0	56	0.0	-70.72	401.58	4.31	-66.41
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300029484561	0	56	0.0	-69.73	405.12	5.09	-64.64
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300029484561	1	56	0.0	-71.17	409.20	6.12	-65.05
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C[NH+]1CCC(O)CC1	REAL300029484569	1	55	0.0	-77.06	407.51	1.14	-75.92
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C[N@H+](C)C1CC1	REAL300029484570	0	51	0.0	-69.88	383.97	4.03	-65.85
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C[N@@H+](C)C1CC1	REAL300029484570	1	51	0.0	-70.15	384.01	4.03	-66.12
CC(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)N1CC[NH+](C)CC1	REAL300029484571	1	59	0.0	-75.07	431.97	2.24	-72.83
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CC1C[NH+](C)C1	REAL300029484589	0	51	0.0	-72.88	386.19	3.45	-69.43
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1CC[N@@H+]1C1CCCC1	REAL300029484593	0	58	0.0	-71.13	422.28	5.28	-65.85
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1CC[N@H+]1C1CCCC1	REAL300029484593	1	58	0.0	-73.69	424.21	4.90	-68.79
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300029484601	0	57	0.0	-68.62	402.23	3.97	-64.65
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1CC[N@H+]1C(C)(C)C	REAL300029484601	1	57	0.0	-72.27	420.24	4.06	-68.21
C[C@@H](C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300029484612	0	50	0.0	-73.22	376.62	2.90	-70.32
CCC1CCC[N@H+](CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029484651	0	60	0.0	-73.02	428.67	5.70	-67.32
CCC1CCC[N@@H+](CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029484651	1	60	0.0	-75.54	440.01	5.61	-69.93
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1=CC=C(C[NH+](C)C)N1	REAL300029484658	0	55	0.0	-80.59	421.88	3.91	-76.68
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CN1C=CSC1=[NH2+]	REAL300029484699	0	47	0.0	-68.49	382.10	2.93	-65.56
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CC[N@H+](C)CCO	REAL300029484709	0	54	0.0	-74.33	405.14	0.63	-73.70
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CC[N@@H+](C)CCO	REAL300029484709	1	54	0.0	-73.35	405.13	0.60	-72.75
C[C@@H](C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300029484710	0	50	0.0	-73.22	376.62	2.90	-70.32
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)[C@H]1CCCC[N@@H+]1C	REAL300029484714	0	54	0.0	-68.59	397.24	4.28	-64.31
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)[C@H]1CCCC[N@H+]1C	REAL300029484714	1	54	0.0	-69.06	391.33	3.82	-65.24
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1C[N@@H+]2CCN1CC2C	REAL300029484722	0	57	0.0	-79.13	410.04	1.29	-77.84
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1C[N@H+]2CCN1CC2C	REAL300029484722	1	57	0.0	-74.07	407.34	1.80	-72.27
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CC1=CC2=C[NH+]=CN2C=C1	REAL300029484764	0	52	0.0	-72.77	409.14	6.81	-65.96
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C[N@H+](C)C1CCSC1	REAL300029484787	0	55	0.0	-77.34	413.97	4.88	-72.46
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C[N@@H+](C)C1CCSC1	REAL300029484787	1	55	0.0	-79.00	414.23	4.86	-74.14
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C[NH+]1CCC1	REAL300029484788	1	48	0.0	-75.60	369.15	2.92	-72.68
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C=C1CC[N@H+](C)C1	REAL300029484818	0	52	0.0	-75.81	393.87	4.27	-71.54
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C=C1CC[N@@H+](C)C1	REAL300029484818	1	52	0.0	-76.30	392.68	4.19	-72.11
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)COCC[NH+](C)C	REAL300029484851	0	54	0.0	-73.82	410.55	3.70	-70.12
CCCCC[N@H+](C)CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029484857	0	62	0.0	-75.56	459.29	6.15	-69.41
CCCCC[N@@H+](C)CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029484857	1	62	0.0	-75.67	459.28	6.16	-69.51
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300029484866	0	58	0.0	-73.39	433.67	4.69	-68.70
C=CCC(C)(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300029484873	0	57	0.0	-72.01	406.07	4.46	-67.55
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C(O)CC[S+](C)C	REAL300029484878	0	53	0.0	-79.53	419.59	2.30	-77.23
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1(C)CC(O)C[N@@H+]1C	REAL300029484903	0	55	0.0	-78.92	402.49	0.99	-77.93
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1CN(C)CC[N@H+](C)C1	REAL300029484913	0	59	0.0	-70.93	425.51	2.90	-68.03
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1CN(C)CC[N@@H+](C)C1	REAL300029484913	1	59	0.0	-70.93	425.51	2.90	-68.03
CC(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[N@@H+]1CCCC(O)C1	REAL300029484914	0	58	0.0	-73.32	426.94	1.52	-71.80
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CN1CCC(CO)CC1	REAL300029484923	0	58	0.0	-74.39	428.18	1.82	-72.57
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C[NH+]1CCC(CO)CC1	REAL300029484923	1	58	0.0	-74.39	428.18	1.82	-72.57
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CC1(O)CCC[N@H+](C)C1	REAL300029484932	0	58	0.0	-70.95	426.49	2.92	-68.03
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CC1(O)CCC[N@@H+](C)C1	REAL300029484932	1	58	0.0	-70.95	426.49	2.92	-68.03
CC1CN(CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029484935	0	51	0.0	-75.85	389.12	3.64	-72.21
CC1C[NH+](CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029484935	1	51	0.0	-75.85	389.12	3.64	-72.21
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CN(C)CCO	REAL300029484961	0	51	0.0	-73.84	383.11	0.18	-73.66
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C[N@H+](C)CCO	REAL300029484961	1	51	0.0	-72.83	382.61	0.04	-72.79
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C[N@@H+](C)CCO	REAL300029484961	1	51	0.0	-72.83	382.61	0.04	-72.79
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1C[N@@H+]2CCN1CCC2	REAL300029484983	0	57	0.0	-79.45	407.17	1.79	-77.66
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1C[N@H+]2CCN1CCC2	REAL300029484983	1	57	0.0	-79.45	407.17	1.79	-77.66
CC[N@@H+]1CCCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029484989	0	57	0.0	-71.13	421.08	4.67	-66.46
CC[N@H+]1CCCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029484989	1	57	0.0	-71.13	421.08	4.67	-66.46
CC(CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)C[NH+](C)C	REAL300029484991	0	56	0.0	-74.20	411.54	4.64	-69.56
CC[N@H+](C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029485002	0	50	0.0	-71.87	376.78	3.16	-68.71
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C12CCC[N@@H+]1CCCC2	REAL300029485026	0	58	0.0	-70.17	414.02	4.86	-65.31
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C12CCC[N@H+]1CCCC2	REAL300029485026	1	58	0.0	-70.17	414.02	4.86	-65.31
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C12CCC[N@@H+]1CC=CC2	REAL300029485031	0	56	0.0	-71.25	399.47	5.56	-65.69
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C12CCC[N@H+]1CC=CC2	REAL300029485031	1	56	0.0	-71.25	399.47	5.56	-65.69
CC[N@H+](CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)C1CC1	REAL300029485051	0	54	0.0	-70.24	400.79	4.64	-65.60
CC[NH+](CC)CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029485067	0	56	0.0	-72.84	412.11	4.55	-68.29
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CN1CC(C)(C)C1	REAL300029485090	0	54	0.0	-75.58	409.45	4.07	-71.51
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C[NH+]1CC(C)(C)C1	REAL300029485090	1	54	0.0	-75.58	409.45	4.07	-71.51
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C[N@@H+]1CCC(C)(O)C1	REAL300029485115	0	55	0.0	-71.90	410.73	1.05	-70.85
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C=CC[NH+](C)C	REAL300029485122	0	51	0.0	-76.19	390.70	3.83	-72.36
CC(OCC[NH+](C)C)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029485143	0	57	0.0	-72.86	430.40	4.38	-68.48
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CCOCC[NH+](C)C	REAL300029485151	0	57	0.0	-72.49	431.56	3.42	-69.07
COCCN(C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029485152	0	54	0.0	-72.51	404.86	2.45	-70.06
COCC[N@H+](C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029485152	1	54	0.0	-73.93	405.37	2.59	-71.34
COCC[N@@H+](C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029485152	1	54	0.0	-73.93	405.37	2.59	-71.34
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1([NH+](C)C)CCCC1	REAL300029485185	0	57	0.0	-78.14	409.68	4.90	-73.24
CC(CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300029485188	0	56	0.0	-72.45	412.10	4.36	-68.09
CCN1CCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029485195	0	51	0.0	-70.96	379.79	3.39	-67.57
CC[N@@H+]1CCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029485195	1	51	0.0	-71.86	386.69	3.78	-68.08
CC[N@H+]1CCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029485195	1	51	0.0	-71.86	386.69	3.78	-68.08
CC(C)[N@@H+]1CCCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029485205	0	60	0.0	-70.38	433.88	5.53	-64.85
CC(C)[N@H+]1CCCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029485205	1	60	0.0	-70.38	433.88	5.53	-64.85
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C[N@@H+]1CCCC1CO	REAL300029485218	0	55	0.0	-69.19	404.66	0.93	-68.26
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1CC2CCCC[N@@H+]2C1	REAL300029485240	0	58	0.0	-72.75	422.14	5.30	-67.45
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1CC2CCCC[N@H+]2C1	REAL300029485240	1	58	0.0	-72.75	422.14	5.30	-67.45
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1(C)CC[NH+](C)CC1	REAL300029485246	0	57	0.0	-72.74	416.30	4.56	-68.18
C=CCC(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300029485274	0	54	0.0	-71.42	398.02	4.16	-67.26
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1CC(C)(C)C[N@@H+]1C	REAL300029485284	0	57	0.0	-72.92	414.83	4.37	-68.55
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CCCCC[NH+](C)C	REAL300029485288	0	59	0.0	-74.67	441.60	5.56	-69.11
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1C[N@@H+]2CCN1C(C)C2	REAL300029485322	0	57	0.0	-72.26	404.63	2.00	-70.26
CCCC(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300029485323	0	56	0.0	-72.06	406.11	4.41	-67.65
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C(C)(C)[NH+](C)C	REAL300029485327	0	53	0.0	-76.62	382.20	3.79	-72.83
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1CCCC[N@@H+]1C	REAL300029485365	0	54	0.0	-68.73	397.57	4.29	-64.44
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CC1=CC[N@H+](C)CC1	REAL300029485398	0	55	0.0	-72.67	414.02	4.97	-67.70
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CC1=CC[N@@H+](C)CC1	REAL300029485398	1	55	0.0	-72.67	414.02	4.97	-67.70
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CC1([NH+]2CCCC2)CC1	REAL300029485407	0	58	0.0	-70.23	418.12	5.29	-64.94
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1=CC=C(CN(C)C)O1	REAL300029485451	0	54	0.0	-81.87	422.54	4.20	-77.67
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1=CC=C(C[NH+](C)C)O1	REAL300029485451	1	54	0.0	-81.87	422.54	4.20	-77.67
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C=CC[NH+]1CCCC1	REAL300029485467	0	55	0.0	-75.17	417.05	5.04	-70.13
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1CC[NH+](C2CC2)CC1	REAL300029485488	0	58	0.0	-72.39	428.47	5.35	-67.04
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CC[NH+]1CCCC1	REAL300029485509	0	54	0.0	-73.51	403.07	4.36	-69.15
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1C[NH+]2CCN1CC2	REAL300029485543	0	54	0.0	-82.46	395.44	0.73	-81.73
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C12CC(C1)C[N@@H+]2C	REAL300029485553	0	52	0.0	-75.73	386.81	3.85	-71.88
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C[N@@H+]1CC2CCC1C2	REAL300029485565	0	55	0.0	-73.28	405.61	4.59	-68.69
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C[N@H+]1CC2CCC1C2	REAL300029485565	1	55	0.0	-73.28	405.61	4.59	-68.69
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C=C1C[NH+]2CCC1CC2	REAL300029485606	0	56	0.0	-69.04	415.19	4.86	-64.18
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CN1CC2C=CC1C2	REAL300029485616	0	53	0.0	-70.37	398.40	4.45	-65.92
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C[N@@H+]1CC2C=CC1C2	REAL300029485616	1	53	0.0	-68.93	398.13	4.36	-64.57
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C[N@H+]1CC2C=CC1C2	REAL300029485616	1	53	0.0	-68.93	398.13	4.36	-64.57
CC(C[NH+](C)C)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029485664	0	53	0.0	-66.89	392.93	3.98	-62.91
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CC1CCCC[N@@H+]1C	REAL300029485734	0	57	0.0	-67.84	406.59	4.72	-63.12
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CC1CCCC[N@H+]1C	REAL300029485734	1	57	0.0	-67.84	406.59	4.72	-63.12
CC1=C2C=C(C(=O)NCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C)C=CN2C=N1	REAL300029485750	0	52	0.0	-74.99	411.40	6.56	-68.43
CC1=C2C=C(C(=O)NCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C)C=CN2C=[NH+]1	REAL300029485750	1	52	0.0	-74.99	411.40	6.56	-68.43
CC(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)N1CC(C)C1	REAL300029485751	0	54	0.0	-72.28	407.80	4.14	-68.14
CC(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1CC(C)C1	REAL300029485751	1	54	0.0	-72.28	407.80	4.14	-68.14
CC1CCN1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029485754	0	51	0.0	-70.79	380.50	3.44	-67.35
CC1CC[N@@H+]1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029485754	1	51	0.0	-71.92	386.36	3.83	-68.09
CC1CC[N@H+]1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029485754	1	51	0.0	-71.92	386.36	3.83	-68.09
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CC(O)C[NH+](C)C	REAL300029485758	0	54	0.0	-77.36	407.35	1.67	-75.69
CC1CN(C)CC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)O1	REAL300029485785	0	55	0.0	-80.96	410.52	3.52	-77.44
CC1C[N@H+](C)CC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)O1	REAL300029485785	1	55	0.0	-84.12	417.59	3.66	-80.46
CC1C[N@@H+](C)CC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)O1	REAL300029485785	1	55	0.0	-84.12	417.59	3.66	-80.46
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CC[NH+]1CCC(O)CC1	REAL300029485794	0	58	0.0	-77.37	429.33	1.67	-75.70
CCC[N@@H+]1CCCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029485796	0	60	0.0	-69.92	436.47	5.70	-64.22
CCC[N@H+]1CCCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029485796	1	60	0.0	-69.92	436.47	5.70	-64.22
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300029485866	0	54	0.0	-71.76	404.59	4.48	-67.28
CC(CC[NH+](C)C)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029485874	0	56	0.0	-74.22	414.78	4.51	-69.71
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300029485894	0	58	0.0	-70.99	430.05	1.70	-69.29
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O	REAL300029485894	1	58	0.0	-69.28	425.10	2.04	-67.24
C#CC[N@H+]1CCCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029485900	1	56	0.0	-70.51	421.84	5.41	-65.10
C#CC[N@@H+]1CCCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029485900	1	56	0.0	-69.94	426.04	5.12	-64.82
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CN1CC[NH+](C)CC1	REAL300029485903	1	56	0.0	-73.77	413.63	2.14	-71.63
CC[NH+]1CCN(CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300029485912	0	59	0.0	-72.04	431.37	2.81	-69.23
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CSC(N)=[NH2+]	REAL300029485936	0	45	0.0	-74.82	363.22	-0.51	-75.33
CC[N@@H+]1CCOCC1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029485971	0	58	0.0	-75.80	423.44	3.18	-72.62
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1CCC([NH+](C)C)CC1	REAL300029485986	0	60	0.0	-77.19	433.86	5.59	-71.60
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1(CC[NH+](C)C)CC1	REAL300029485987	0	57	0.0	-78.78	429.85	5.25	-73.53
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300029485989	0	60	0.0	-71.98	431.34	5.16	-66.82
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CC1CC=CC[N@@H+]1C	REAL300029485990	0	55	0.0	-75.05	405.45	4.70	-70.35
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CC1CC=CC[N@H+]1C	REAL300029485990	1	55	0.0	-75.05	405.45	4.70	-70.35
C[C@@H](OCC[NH+](C)C)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300029486011	0	57	0.0	-70.23	430.70	4.50	-65.73
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1CC2CCC(C1)[NH+]2C	REAL300029486037	0	58	0.0	-72.88	397.68	5.17	-67.71
CC(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1CCSCC1	REAL300029486143	1	55	0.0	-73.69	413.49	4.72	-68.97
CCC1C[NH+](CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029486145	1	54	0.0	-76.36	411.68	4.35	-72.01
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1([NH+]2CCCC2)CCC1	REAL300029486147	0	58	0.0	-68.66	416.01	5.59	-63.07
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)[C@@H]1CCC[N@H+]1C	REAL300029486156	1	51	0.0	-69.58	380.60	3.67	-65.91
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CC[N@H+]1CCC(F)C1	REAL300029486163	1	54	0.0	-76.87	412.88	4.16	-72.71
COC1C[N@@H+](C)C(C)(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300029486171	1	58	0.0	-77.14	425.12	3.11	-74.03
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CC[NH+]1CCCCCC1	REAL300029486179	0	60	0.0	-74.96	428.76	5.26	-69.70
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C[NH+]1CCCCC1	REAL300029486181	0	54	0.0	-72.27	396.75	4.62	-67.65
CC1C(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)CC[N@@H+]1C	REAL300029486191	0	54	0.0	-71.72	397.04	3.96	-67.76
CC1C(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)CC[N@H+]1C	REAL300029486191	1	54	0.0	-72.87	400.52	4.20	-68.67
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CCC1CCCC[N@@H+]1C	REAL300029486193	0	60	0.0	-74.08	440.48	5.42	-68.66
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CCC1CCCC[N@H+]1C	REAL300029486193	1	60	0.0	-70.84	440.35	5.38	-65.46
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1CC[N@@H+]2CCOCC12	REAL300029486221	0	56	0.0	-72.82	413.69	2.68	-70.14
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1CC[N@H+]2CCOCC12	REAL300029486221	1	56	0.0	-73.57	410.68	2.98	-70.59
CC1=[NH+]C=C2C=CC(C(=O)NCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C)=CN21	REAL300029486226	0	52	0.0	-70.30	406.29	5.89	-64.41
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CC1COCCN1C	REAL300029486240	0	55	0.0	-68.21	398.17	2.42	-65.79
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CC1COCC[N@@H+]1C	REAL300029486240	1	55	0.0	-78.73	405.04	2.44	-76.29
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CC1COCC[N@H+]1C	REAL300029486240	1	55	0.0	-68.21	398.17	2.42	-65.79
CC1=C(C)[NH+]=C(CCC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)N1	REAL300029486248	1	55	0.0	-68.21	424.97	3.92	-64.29
CC1CN(C(=O)C2CCC[N@H+]2C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029486418	1	51	0.0	-66.17	382.51	3.73	-62.44
CC1CN(C(=O)C2CN(C)CCO2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029486444	0	52	0.0	-73.72	383.88	2.95	-70.77
CC1CN(C(=O)C2C[N@H+](C)CCO2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029486444	1	52	0.0	-77.31	395.74	2.90	-74.41
CC1CN(C(=O)C2C[N@@H+](C)CCO2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029486444	1	52	0.0	-73.72	383.88	2.95	-70.77
CC1=[NH+]C=CN1CCCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029486604	1	55	0.0	-67.57	428.87	5.84	-61.73
CC1CN(C(=O)CC[NH+]2CCOCC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029486609	1	55	0.0	-73.51	413.16	2.95	-70.56
CC1CN(C(=O)C23CCC[NH+]2CCC3)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029486634	0	55	0.0	-64.16	395.61	4.22	-59.94
CC1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029486643	1	49	0.0	-73.90	390.96	5.79	-68.11
CC1CN(C(=O)C2CCCC([NH+](C)C)C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029486697	0	60	0.0	-67.40	426.71	5.34	-62.06
CC1CN(C(=O)CC2CC[N@H+](C)C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029486700	0	54	0.0	-71.30	407.72	4.27	-67.03
CC1CN(C(=O)CC2CC[N@@H+](C)C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029486700	1	54	0.0	-71.19	405.09	4.53	-66.66
CC1CN(C(=O)C2=C[NH+]=CC=C2N(C)C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029486712	0	53	0.0	-74.32	414.76	2.34	-71.98
CCC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300029486717	0	53	0.0	-65.75	386.10	3.79	-61.96
CC1CN(C(=O)CCCC[NH+](C)C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029486779	0	56	0.0	-71.68	423.26	5.06	-66.62
CC(C)C(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300029486801	0	56	0.0	-68.11	393.83	4.14	-63.97
CCC[N@H+](C)CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029486803	0	56	0.0	-71.51	419.50	4.88	-66.63
CCC[N@@H+](C)CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029486803	1	56	0.0	-71.54	419.50	4.88	-66.66
CCC[N@H+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029486808	0	53	0.0	-69.30	401.14	4.02	-65.28
CCC[N@@H+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029486808	1	53	0.0	-69.23	401.10	4.01	-65.22
CC1CN(C(=O)C23CC[N@H+](C2)CCC3)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029486831	0	55	0.0	-70.51	390.68	3.72	-66.79
CC1CN(C(=O)C23CC[N@@H+](C2)CCC3)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029486831	1	55	0.0	-70.59	390.69	3.72	-66.87
CCCCCC[N@H+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029486863	0	62	0.0	-70.46	465.63	6.36	-64.10
CCCCCC[N@@H+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029486863	1	62	0.0	-70.43	465.60	6.35	-64.08
CC[NH+](CC)C(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1)C(C)C	REAL300029486867	0	62	0.0	-64.70	426.20	5.13	-59.57
CC1CC[NH+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)CC1	REAL300029486899	0	57	0.0	-69.30	420.48	5.37	-63.93
CC1CN(C(=O)COC2CC[NH+](C)CC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029486925	0	58	0.0	-75.50	441.83	4.77	-70.73
CC1CN(C(=O)C2CC3CCCC[N@@H+]3C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029486967	0	58	0.0	-68.45	421.39	5.43	-63.02
CC1CN(C(=O)C2CC3CCCC[N@H+]3C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029486967	1	58	0.0	-68.62	421.08	5.42	-63.20
CC1CN(C(=O)C2(C[NH+](C)C)CC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029486978	0	54	0.0	-71.05	410.22	4.19	-66.86
CC(C)[NH+]1CCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)CC1	REAL300029486989	0	60	0.0	-69.84	440.33	5.39	-64.45
CC[N@H+](C)CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029487010	0	53	0.0	-70.81	397.99	4.15	-66.66
CC[N@@H+](C)CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029487010	1	53	0.0	-70.80	398.00	4.14	-66.66
CC1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029487036	0	60	0.0	-64.12	423.88	4.88	-59.24
CC1CN(C(=O)C2C[NH+]3CCC2CC3)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029487044	0	55	0.0	-72.69	393.89	4.37	-68.32
CC1CN(C(=O)C2CC[NH+](C)CC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029487119	0	54	0.0	-72.39	406.01	4.20	-68.19
CC(C)[C@H](C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300029487137	0	56	0.0	-68.35	402.28	4.12	-64.23
CC[NH+](CC)CC(F)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029487223	0	56	0.0	-71.54	414.07	4.50	-67.04
CC(C)C[N@@H+]1CCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029487255	0	60	0.0	-68.68	442.44	5.47	-63.21
CC(C)C[N@H+]1CCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029487255	1	60	0.0	-69.27	438.42	5.71	-63.56
CC1CN(C(=O)C2([NH+](C)C)CCC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029487259	0	54	0.0	-68.95	381.17	3.56	-65.39
CCC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](CC)CC	REAL300029487290	0	59	0.0	-63.05	419.16	5.07	-57.98
CC1CCC[N@@H+]1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029487310	0	54	0.0	-66.24	406.89	4.28	-61.96
CC1CCC[N@H+]1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029487310	1	54	0.0	-66.22	407.27	4.42	-61.80
CC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+]1CCCCCC1	REAL300029487365	0	60	0.0	-64.75	426.51	4.94	-59.81
CC(C)[N@@H+]1CCCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029487367	0	60	0.0	-62.79	432.72	5.09	-57.70
CC(C)[N@H+]1CCCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029487367	1	60	0.0	-63.19	432.88	5.07	-58.12
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029487388	0	57	0.0	-64.40	412.60	4.77	-59.63
CC(C)[N@H+]1CCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029487388	1	57	0.0	-66.15	407.76	5.09	-61.06
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029487394	0	60	0.0	-67.61	439.52	5.28	-62.33
CC(C)[N@H+]1CCCC1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029487394	1	60	0.0	-62.94	431.25	5.18	-57.76
CC(C)[C@@H](C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300029487407	0	56	0.0	-66.71	404.38	4.27	-62.44
CC1CC[N@H+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029487427	0	54	0.0	-68.19	403.23	4.57	-63.62
CC1CC[N@@H+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029487427	1	54	0.0	-68.44	403.94	4.60	-63.84
CC1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029487431	0	57	0.0	-68.45	427.48	4.86	-63.59
CC1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029487431	1	57	0.0	-68.14	426.92	4.88	-63.26
CC1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029487432	0	59	0.0	-68.86	431.69	5.17	-63.69
CC1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029487432	1	59	0.0	-69.01	429.74	5.02	-63.99
CC[C@@H](C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300029487440	0	53	0.0	-67.06	391.53	3.59	-63.47
CC1=[NH+]C=CN1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029487630	1	49	0.0	-66.35	390.27	4.17	-62.18
CC(C[NH+]1CCOCC1)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029487631	0	58	0.0	-71.55	426.78	3.40	-68.15
CC1CN(C(=O)CCC[NH+]2CCCCC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029487647	0	60	0.0	-70.21	443.39	6.16	-64.05
CC1CN(C(=O)C2=NOC(C[NH+](C)C)=C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029487662	1	53	0.0	-76.45	417.85	3.93	-72.52
CC1=C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)C=CC2=C[NH+]=CN21	REAL300029487663	0	52	0.0	-71.36	410.77	6.49	-64.87
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029487697	1	55	0.0	-64.48	427.55	5.35	-59.13
CC1CN(C(=O)C2CCCC3CCC[N@@H+]32)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029487728	0	58	0.0	-64.90	415.51	4.75	-60.15
CC1CN(C(=O)C2CCCC3CCC[N@H+]32)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029487728	1	58	0.0	-68.22	409.04	5.32	-62.90
CC[N@@H+]1CCOC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029487745	1	55	0.0	-72.44	405.64	3.34	-69.10
CC[N@H+]1CCOC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029487745	1	55	0.0	-72.48	401.64	3.61	-68.87
CC1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029487796	0	49	0.0	-69.99	391.81	5.79	-64.20
CC1=C[NH+]=CN1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029487801	1	49	0.0	-68.43	390.59	4.90	-63.53
C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)CC[N@@H+]1C	REAL300029487815	0	54	0.0	-71.49	388.43	3.72	-67.77
C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)CC[N@H+]1C	REAL300029487815	1	54	0.0	-70.53	395.33	3.98	-66.55
CC[C@@H]1[C@@H](C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)CC[N@@H+]1C	REAL300029487819	0	57	0.0	-70.78	410.58	4.41	-66.37
CC[C@@H]1[C@@H](C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)CC[N@H+]1C	REAL300029487819	1	57	0.0	-69.56	419.27	4.44	-65.12
CC1CCC(C)[NH+]1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029487830	0	57	0.0	-64.87	418.85	4.49	-60.38
CC1CN(C(=O)CCC[NH+]2CCCC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029487836	0	57	0.0	-70.04	430.12	5.07	-64.97
C#CC[NH+]1CCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)CC1	REAL300029487842	0	56	0.0	-73.76	430.68	5.35	-68.41
CC1CN(C(=O)CC[NH+]2CCCCC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029487843	0	57	0.0	-70.12	421.89	5.37	-64.75
CC[N@@H+]1CCCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029487850	0	57	0.0	-67.13	412.37	4.50	-62.63
CC[N@H+]1CCCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029487850	1	57	0.0	-63.67	415.13	5.04	-58.63
CC1CN(C(=O)CC2([NH+](C)C)CCCC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029487890	0	60	0.0	-71.37	425.77	5.12	-66.25
CC1CN(C(=O)C[N@H+](C)C2CCC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488031	0	54	0.0	-66.91	408.03	4.59	-62.32
CC1CN(C(=O)C[N@@H+](C)C2CCC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488031	1	54	0.0	-66.90	408.00	4.59	-62.31
CC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+]1C(C)CCC1C	REAL300029488053	0	60	0.0	-65.10	430.19	5.13	-59.97
CC1CN(C(=O)CCCC[NH+]2CCCC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488065	0	60	0.0	-70.33	449.22	6.25	-64.08
CC1CN(C(=O)C2CC[NH+](C)CC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488076	0	54	0.0	-72.39	406.01	4.20	-68.19
CC1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488117	0	51	0.0	-66.30	383.54	3.42	-62.88
CC1CN(C(=O)[C@H]2CCC[N@H+]2C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488117	1	51	0.0	-66.87	376.21	3.43	-63.44
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029488140	1	53	0.0	-65.36	407.13	4.37	-60.99
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029488140	1	53	0.0	-66.16	406.21	4.99	-61.17
CC1CN(C(=O)CCC2CCC[N@@H+]2C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488146	0	57	0.0	-69.00	423.85	4.69	-64.31
CC1CN(C(=O)CCC2CCC[N@H+]2C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488146	1	57	0.0	-72.12	425.33	5.42	-66.70
CC1CN(C(=O)C23CCC[NH+](CCC2)C3)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488155	0	58	0.0	-70.19	410.58	4.31	-65.88
CC1CN(C(=O)C2CCC3CCCC[N@@H+]32)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488158	0	58	0.0	-63.58	422.31	5.64	-57.94
CC1CN(C(=O)C2CCC3CCCC[N@H+]32)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488158	1	58	0.0	-64.93	417.55	5.34	-59.59
CCC[N@@H+]1CCCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029488227	0	60	0.0	-65.98	431.93	5.94	-60.04
CCC[N@H+]1CCCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029488227	1	60	0.0	-72.73	444.22	5.50	-67.23
CC(C)[N@@H+]1CCOC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029488242	1	58	0.0	-75.37	429.34	4.00	-71.37
CC(C)[N@H+]1CCOC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029488242	1	58	0.0	-80.26	430.03	4.04	-76.22
CC1CN(C(=O)C2CCCC[N@@H+]2C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488265	0	54	0.0	-66.15	401.67	4.15	-62.00
CC1CN(C(=O)C2CCCC[N@H+]2C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488265	1	54	0.0	-64.71	401.18	4.12	-60.59
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029488288	0	60	0.0	-65.28	438.98	5.89	-59.39
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029488288	1	60	0.0	-65.52	433.85	5.47	-60.05
CC1CN(C(=O)C[NH+]2CCC(CO)CC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488303	0	58	0.0	-70.70	431.31	2.06	-68.64
CC1C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)CC[N@@H+]1C	REAL300029488346	0	54	0.0	-67.87	398.75	4.17	-63.70
CC1C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)CC[N@H+]1C	REAL300029488346	1	54	0.0	-67.94	395.31	3.94	-64.00
CC1CN(C(=O)CCC2CCCC[N@@H+]2C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488348	0	60	0.0	-71.45	431.90	5.67	-65.78
CC1CN(C(=O)CCC2CCCC[N@H+]2C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488348	1	60	0.0	-72.60	435.90	5.40	-67.20
CC1CN(C(=O)C2=CC3=C(CCC3)[NH+]=C2N)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488379	1	54	0.0	-61.06	418.06	3.33	-57.73
CC1CN(C(=O)C2CC[N@@H+]2C(C)(C)C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488437	0	57	0.0	-65.72	418.46	4.53	-61.19
CC1CN(C(=O)C2CC[N@H+]2C(C)(C)C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488437	1	57	0.0	-66.78	397.81	3.95	-62.83
C[C@@H](C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300029488455	0	50	0.0	-67.39	377.86	2.97	-64.42
C=CCC(C)(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300029488472	0	57	0.0	-63.93	403.58	4.36	-59.57
CC1CN(C(=O)CC[NH+]2CCCC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488494	0	54	0.0	-70.28	406.22	4.66	-65.62
CC1CN(C(=O)C[N@H+](C)CCO)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488504	1	51	0.0	-69.62	389.95	0.03	-69.59
CC1CN(C(=O)C[N@@H+](C)CCO)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488504	1	51	0.0	-69.25	389.78	0.06	-69.19
CC1CN(C(=O)C2C[N@@H+]3CCN2CCC3)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488540	0	57	0.0	-73.12	403.59	2.10	-71.02
CC1CN(C(=O)C2C[N@H+]3CCN2CCC3)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488540	1	57	0.0	-77.90	405.07	2.02	-75.88
CC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+]1CCSCC1	REAL300029488561	1	55	0.0	-69.53	418.75	4.53	-65.00
CC1CN(C(=O)CC2=CC[N@H+](C)CC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488593	0	55	0.0	-69.21	417.04	5.26	-63.95
CC1CN(C(=O)CC2=CC[N@@H+](C)CC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488593	1	55	0.0	-67.85	417.03	5.26	-62.59
CC1CN(C(=O)C(O)CC[S+](C)C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488608	0	53	0.0	-74.53	418.56	2.31	-72.22
CC1CN(C(=O)C2(C)CC(O)C[N@@H+]2C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488626	0	55	0.0	-67.43	397.66	-0.18	-67.61
CC1CN(C(=O)C2(C)CC(O)C[N@H+]2C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488626	1	55	0.0	-66.62	404.53	0.12	-66.50
CC1CN(C(=O)C2CN(C)CC[N@H+](C)C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488636	0	59	0.0	-69.67	435.12	2.61	-67.06
CC1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488636	1	59	0.0	-70.41	431.99	2.54	-67.87
CC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1)[N@@H+]1CCCC(O)C1	REAL300029488637	0	58	0.0	-68.15	426.75	1.74	-66.41
CC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1)[N@H+]1CCCC(O)C1	REAL300029488637	1	58	0.0	-65.56	426.74	1.72	-63.84
CC1CN(C(=O)C2=C(N)[NH+]=CC3=C2CCC3)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488664	0	54	0.0	-66.66	416.99	3.64	-63.02
CC1CN(C(=O)CC2(O)CCC[N@H+](C)C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488670	0	58	0.0	-69.04	415.61	3.19	-65.85
CC1CN(C(=O)CC2(O)CCC[N@@H+](C)C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488670	1	58	0.0	-68.05	425.31	3.35	-64.70
CC1C[NH+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029488675	1	51	0.0	-69.24	389.19	3.98	-65.26
CC[N@@H+]1CCCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029488682	0	57	0.0	-68.95	419.78	5.09	-63.86
CC[N@H+]1CCCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029488682	1	57	0.0	-69.57	420.09	5.08	-64.49
CC1CN(C(=O)CC2=CC=C[NH+]=C2N)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488688	0	50	0.0	-65.86	396.14	2.46	-63.40
CC1CN(C(=O)C2CCC[N@@H+]2C2CC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488700	0	55	0.0	-68.55	413.62	4.54	-64.01
CC1CN(C(=O)C2CCC[N@H+]2C2CC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488700	1	55	0.0	-66.52	406.95	4.73	-61.79
CC1CN(C(=O)C=CC[NH+]2CCCC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488742	0	55	0.0	-72.18	419.13	5.31	-66.87
CC1CN(C(=O)C2CC[NH+](C3CC3)CC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488763	0	58	0.0	-74.99	430.66	5.40	-69.59
CC[N@H+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029488806	0	50	0.0	-68.83	379.60	3.27	-65.56
CC1CN(C(=O)C[N@@H+]2CC3C=CC2C3)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488857	1	53	0.0	-65.33	396.99	4.77	-60.56
CC1CN(C(=O)C[N@H+]2CC3C=CC2C3)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488857	1	53	0.0	-65.26	397.26	4.78	-60.48
CC1CN(C(=O)C2C[NH+]3CCN2CC3)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488936	0	54	0.0	-73.06	394.66	0.69	-72.37
CC1CN(C(=O)C23CCC[N@@H+]2CCCC3)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488976	0	58	0.0	-63.09	406.13	4.65	-58.44
CC1CN(C(=O)C23CCC[N@H+]2CCCC3)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488976	1	58	0.0	-63.86	411.05	4.43	-59.43
CC1CN(C(=O)C23CCC[N@@H+]2CC=CC3)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488983	0	56	0.0	-63.70	400.21	4.68	-59.02
CC1CN(C(=O)C23CCC[N@H+]2CC=CC3)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488983	1	56	0.0	-62.99	403.59	4.23	-58.76
CC(OCC[NH+](C)C)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029488993	0	57	0.0	-69.19	430.24	4.46	-64.73
CC1CN(C(=O)CCOCC[NH+](C)C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489002	0	57	0.0	-69.07	434.72	3.72	-65.35
COCC[N@H+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029489004	1	54	0.0	-68.98	412.03	2.46	-66.52
COCC[N@@H+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029489004	1	54	0.0	-69.73	412.21	2.44	-67.29
CC1CN(C(=O)C2C[NH+](C3CCOC3)C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489005	0	56	0.0	-75.53	422.99	3.05	-72.48
CC(CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300029489009	0	56	0.0	-72.46	411.53	4.66	-67.80
CC1CN(C(=O)C=C2CC[NH+](C)CC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489026	0	55	0.0	-73.86	414.35	4.90	-68.96
CC[N@H+](CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1)C1CC1	REAL300029489034	0	54	0.0	-65.56	406.49	4.91	-60.65
CC[N@@H+](CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1)C1CC1	REAL300029489034	1	54	0.0	-67.33	399.24	4.79	-62.54
CC1CN(C(=O)C2C[N@@H+]3CCN2C(C)C3)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489049	0	57	0.0	-72.62	407.03	1.52	-71.10
CC1CN(C(=O)C2C[N@H+]3CCN2C(C)C3)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489049	1	57	0.0	-75.64	411.48	1.30	-74.34
CC1CN(C(=O)C23CC(C2)C[N@@H+]3C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489072	0	52	0.0	-67.83	384.80	3.78	-64.05
CC1CN(C(=O)C23CC(C2)C[N@H+]3C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489072	1	52	0.0	-67.57	389.19	3.62	-63.95
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029489081	1	54	0.0	-68.48	421.80	3.58	-64.90
CC1CN(C(=O)C[N@@H+]2CC3CCC2C3)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489087	0	55	0.0	-66.82	408.46	4.73	-62.09
CC1CN(C(=O)C[N@H+]2CC3CCC2C3)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489087	1	55	0.0	-66.45	402.08	4.79	-61.66
CC(C[NH+](C)C)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029489107	0	53	0.0	-67.38	395.13	3.99	-63.39
CC1CN(C(=O)C2([NH+](C)C)CC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489123	0	51	0.0	-70.34	379.95	3.37	-66.97
C[C@H](C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300029489148	0	50	0.0	-66.93	377.91	2.94	-63.99
CC[N@@H+]1CCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029489155	1	51	0.0	-68.35	388.56	3.78	-64.57
CC[N@H+]1CCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029489155	1	51	0.0	-68.31	393.02	3.53	-64.78
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029489167	0	60	0.0	-65.30	430.30	5.20	-60.10
CC(C)[N@H+]1CCCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029489167	1	60	0.0	-71.32	435.36	5.54	-65.78
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029489182	0	59	0.0	-67.36	422.14	3.51	-63.85
C#CC[N@H+]1CCCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029489223	1	56	0.0	-65.70	426.92	5.34	-60.36
C#CC[N@@H+]1CCCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029489223	1	56	0.0	-67.43	419.68	5.05	-62.38
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029489224	1	53	0.0	-62.73	409.81	3.52	-59.21
CC1CN(C(=O)C2=C[NH+]=CC=C2N)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489225	0	47	0.0	-69.42	372.79	0.52	-68.90
CCCC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300029489234	0	56	0.0	-66.49	407.60	4.55	-61.94
CC1CN(C(=O)C(C)(C)[NH+](C)C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489241	0	53	0.0	-67.61	382.55	3.06	-64.55
CC(CC[NH+](C)C)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029489259	0	56	0.0	-72.11	418.73	4.67	-67.44
CC1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489326	0	56	0.0	-65.14	419.59	4.97	-60.17
CC1CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489326	1	56	0.0	-65.48	407.92	4.84	-60.64
CC1CN(C(=O)C2CC(C)(C)C[N@@H+]2C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489360	0	57	0.0	-66.54	421.03	4.20	-62.34
CC1CN(C(=O)C2CC(C)(C)C[N@H+]2C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489360	1	57	0.0	-68.33	428.05	4.69	-63.64
CC1CN(C(=O)CCCCC[NH+](C)C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489365	0	59	0.0	-71.29	444.76	5.85	-65.44
CC1CN(C(=O)CC[NH+]2CCC(O)CC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489369	0	58	0.0	-73.98	436.98	1.73	-72.25
CCC[N@@H+]1CCCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029489373	0	60	0.0	-67.44	433.85	5.24	-62.20
CCC[N@H+]1CCCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029489373	1	60	0.0	-67.11	433.64	5.24	-61.87
CC1CN(C(=O)CN2CC[NH+](C)CC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489382	1	56	0.0	-70.67	421.23	2.12	-68.55
CC1C[N@H+](C)CC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)O1	REAL300029489475	1	55	0.0	-85.64	416.82	3.62	-82.02
CC1C[N@@H+](C)CC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)O1	REAL300029489475	1	55	0.0	-78.70	409.20	3.57	-75.13
CCC1CCC[N@H+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029489507	0	60	0.0	-68.17	435.46	5.27	-62.90
CCC1CCC[N@@H+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029489507	1	60	0.0	-69.06	438.87	6.00	-63.06
CC1CN(C(=O)C2=CC=C(C[NH+](C)C)N2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489515	0	55	0.0	-77.82	421.59	4.29	-73.53
CC1CN(C(=O)C[NH+]2CC3CC3C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489530	0	52	0.0	-68.98	397.37	4.50	-64.48
CC1CN(C(=O)CC2([NH+]3CCCC3)CC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489543	0	58	0.0	-66.02	423.01	5.69	-60.33
CC1CN(C(=O)C2CCCC[N@@H+]2C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489580	0	54	0.0	-66.15	401.67	4.15	-62.00
CC1CN(C(=O)C2CCCC[N@H+]2C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489580	1	54	0.0	-64.71	401.18	4.12	-60.59
CC1CN(C(=O)C=C2CC[N@H+](C)C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489695	0	52	0.0	-76.26	399.74	4.17	-72.09
CC1CN(C(=O)C=C2CC[N@@H+](C)C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489695	1	52	0.0	-73.11	399.74	4.16	-68.95
CC1CN(C(=O)CNC2=CC=[NH+]C=C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489700	0	50	0.0	-68.83	393.61	2.15	-66.68
CC[NH+]1CCN(CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)CC1	REAL300029489754	0	59	0.0	-68.48	434.15	3.02	-65.46
CC1CN(C(=O)C=C2C[NH+]3CCC2CC3)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489757	0	56	0.0	-67.02	413.23	5.31	-61.71
CC1CN(C(=O)C2([NH+](C)C)CCCC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489792	0	57	0.0	-69.28	402.19	4.33	-64.95
CC1CN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489803	0	58	0.0	-67.98	432.89	1.83	-66.15
CC1CN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489803	1	58	0.0	-65.47	432.03	1.89	-63.58
CCC1C[NH+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029489807	0	54	0.0	-70.13	414.57	4.46	-65.67
CC1CN(C(=O)C2([NH+]3CCCC3)CCC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489811	0	58	0.0	-67.43	418.66	4.85	-62.58
CC1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489825	0	51	0.0	-68.16	376.51	3.41	-64.75
CC1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489825	1	51	0.0	-66.04	386.51	3.47	-62.57
CC[N@@H+]1CCOCC1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029489853	0	58	0.0	-72.62	430.01	3.14	-69.48
CC[N@H+]1CCOCC1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029489853	1	58	0.0	-71.03	425.60	2.97	-68.06
CC1CN(C(=O)CCC2=CC=C(N)[NH+]=C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489891	0	53	0.0	-68.23	416.91	3.43	-64.80
CC1CN(C(=O)CC2=CC3=C[NH+]=CN3C=C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489894	0	52	0.0	-69.37	416.31	6.83	-62.54
CC1CN(C(=O)C2=CC=C3NC(N)=[NH+]C3=C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489934	1	51	0.0	-68.79	400.75	3.79	-65.00
CC1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489968	0	54	0.0	-69.48	406.78	4.60	-64.88
CC1CN(C(=O)C2CCC([NH+](C)C)CC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489982	0	60	0.0	-66.89	430.53	5.07	-61.82
CC1CN(C(=O)C2(CC[NH+](C)C)CC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489983	0	57	0.0	-68.57	429.52	5.31	-63.26
CC1CN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489985	0	60	0.0	-67.64	426.76	5.34	-62.30
CC1CN(C(=O)CC2CC=CC[N@@H+]2C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489986	0	55	0.0	-72.43	413.00	4.73	-67.70
CC1CN(C(=O)CC2CC=CC[N@H+]2C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489986	1	55	0.0	-71.96	413.10	4.73	-67.23
CC1=CC(C=CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)=C[NH+]=C1N	REAL300029490034	1	54	0.0	-70.63	422.00	3.88	-66.75
CC1CN(C(=O)COCC[NH+](C)C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490046	0	54	0.0	-70.01	413.77	4.01	-66.00
CCCCC[N@H+](C)CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029490052	0	62	0.0	-72.47	462.49	6.45	-66.02
CCCCC[N@@H+](C)CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029490052	1	62	0.0	-72.56	466.47	6.18	-66.38
CC1CN(C(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490063	0	58	0.0	-70.60	437.52	4.44	-66.16
CC1CN(C(=O)CN2C=CSC2=[NH2+])CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490087	0	47	0.0	-65.74	388.97	2.79	-62.95
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029490156	0	57	0.0	-67.55	433.12	4.16	-63.39
CC1CN(C(=O)CC[NH+]2CCCCCC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490194	0	60	0.0	-71.88	431.91	5.55	-66.33
CC1CN(C(=O)C2CCC[N@H+](C)C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490200	0	54	0.0	-70.11	401.85	4.41	-65.70
CC1CN(C(=O)C2CCC[N@@H+](C)C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490200	1	54	0.0	-70.11	401.85	4.41	-65.70
CC1CN(C(=O)C[NH+]2CCCCCC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490202	0	57	0.0	-68.21	413.02	4.65	-63.56
CC1CN(C(=O)C[N+]2=CN(C)C=C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490207	0	49	0.0	-66.98	393.11	6.11	-60.87
CC1CN(C(=O)C2=CC=C(CN(C)C)O2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490223	0	54	0.0	-73.79	418.50	4.64	-69.15
CC1CN(C(=O)C2=CC=C(C[NH+](C)C)O2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490223	1	54	0.0	-73.79	418.50	4.64	-69.15
CC1CN(C(=O)CN2CCC(O)CC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490239	0	55	0.0	-73.31	410.72	1.41	-71.90
CC1CN(C(=O)C[NH+]2CCC(O)CC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490239	1	55	0.0	-73.31	410.72	1.41	-71.90
CC1CN(C(=O)C[N@H+](C)C2CC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490244	0	51	0.0	-66.38	387.16	4.29	-62.09
CC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1)N1CCN(C)CC1	REAL300029490246	0	59	0.0	-68.75	429.19	2.15	-66.60
CC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1)N1CC[NH+](C)CC1	REAL300029490246	1	59	0.0	-68.75	429.19	2.15	-66.60
CC1CN(C(=O)CC[N@@H+]2CCC(F)C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490248	0	54	0.0	-73.93	416.12	4.47	-69.46
COC1C[N@H+](C)C(C)(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300029490258	0	58	0.0	-65.82	420.85	2.66	-63.16
CC(CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1)C[NH+](C)C	REAL300029490275	0	56	0.0	-71.25	414.91	4.93	-66.32
CC1CN(C(=O)C2CC[N@@H+]3CCOCC23)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490290	0	56	0.0	-67.88	412.75	2.91	-64.97
CC1CN(C(=O)C2CC[N@H+]3CCOCC23)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490290	1	56	0.0	-67.88	412.75	2.91	-64.97
CC1CN(C(=O)CC2COCCN2C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490309	0	55	0.0	-65.72	405.06	2.32	-63.40
CC1CN(C(=O)CC2COCC[N@@H+]2C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490309	1	55	0.0	-65.78	405.03	2.34	-63.44
CC1CN(C(=O)CC2COCC[N@H+]2C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490309	1	55	0.0	-65.78	405.03	2.34	-63.44
CC1=CC(N)=NC=C1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029490369	0	50	0.0	-69.52	394.84	1.90	-67.62
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029490369	1	50	0.0	-69.52	394.84	1.90	-67.62
CC1CN(C(=O)C[N@@H+]2CCC(C)(O)C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490411	0	55	0.0	-68.20	413.79	1.29	-66.91
CC1CN(C(=O)CC2C[NH+](C)C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490445	0	51	0.0	-70.24	389.19	3.75	-66.49
CC1CN(C(=O)C2CC[N@@H+]2C2CCCC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490450	0	58	0.0	-67.00	425.68	5.06	-61.94
CC1CN(C(=O)C2CC[N@H+]2C2CCCC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490450	1	58	0.0	-67.00	425.68	5.06	-61.94
CC1CN(C(=O)CC[N@H+](C)CCO)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490486	0	54	0.0	-70.17	408.29	0.94	-69.23
CC1CN(C(=O)CC[N@@H+](C)CCO)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490486	1	54	0.0	-70.17	408.29	0.94	-69.23
CC1CN(C(=O)CC2CCCC[N@@H+]2C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490507	0	57	0.0	-63.75	409.66	5.00	-58.75
CC1CN(C(=O)CC2CCCC[N@H+]2C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490507	1	57	0.0	-63.75	409.66	5.00	-58.75
CC1=C2C=C(C(=O)N3CCC(CNC(=O)C4=CC(=O)[N-]O4)C(C)C3)C=CN2C=N1	REAL300029490527	0	52	0.0	-71.79	408.76	6.62	-65.17
CC1=C2C=C(C(=O)N3CCC(CNC(=O)C4=CC(=O)[N-]O4)C(C)C3)C=CN2C=[NH+]1	REAL300029490527	1	52	0.0	-71.79	408.76	6.62	-65.17
CC1CCN1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029490532	0	51	0.0	-66.95	383.72	3.70	-63.25
CC1CC[N@@H+]1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029490532	1	51	0.0	-67.08	387.69	3.43	-63.65
CC1CC[N@H+]1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029490532	1	51	0.0	-67.08	387.69	3.43	-63.65
CC1CN(C(=O)C=CC[NH+](C)C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490545	0	51	0.0	-73.28	392.78	4.11	-69.17
CC1CN(C(=O)CN2CC(C)(C)C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490558	0	54	0.0	-69.14	412.28	4.18	-64.96
CC1CN(C(=O)C[NH+]2CC(C)(C)C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490558	1	54	0.0	-69.14	412.28	4.18	-64.96
CC1=C(C)NC(CCC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)=N1	REAL300029490576	0	55	0.0	-64.57	428.13	4.22	-60.35
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)N1	REAL300029490576	1	55	0.0	-64.57	428.13	4.22	-60.35
CC1=C2C=C(C(=O)N3CCC(CNC(=O)C4=CC(=O)[N-]O4)C(C)C3)C=CN2C=N1	REAL300029490587	0	52	0.0	-71.79	408.76	6.62	-65.17
CC1=C2C=C(C(=O)N3CCC(CNC(=O)C4=CC(=O)[N-]O4)C(C)C3)C=CN2C=[NH+]1	REAL300029490587	1	52	0.0	-71.79	408.76	6.62	-65.17
CC1CN(C(=O)CSCC[NH+](C)C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490596	0	54	0.0	-74.38	424.79	4.90	-69.48
CC1CN(C(=O)C[N@@H+]2CCCC2CO)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490621	0	55	0.0	-68.19	411.58	0.69	-67.50
CC[NH+](CC)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029490625	0	53	0.0	-67.46	393.94	4.24	-63.22
CC1CN(C(=O)C[N@H+](C)C2CCSC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490635	0	55	0.0	-73.95	421.39	4.84	-69.11
CC1CN(C(=O)CN2CCC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490637	0	48	0.0	-69.43	372.20	3.08	-66.35
CC1CN(C(=O)C[NH+]2CCC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490637	1	48	0.0	-69.43	372.20	3.08	-66.35
CC[NH+](CC)CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029490683	0	56	0.0	-69.85	415.84	4.87	-64.98
CC1CN(C(=O)C2CC3COCC[N@@H+]3C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490768	0	56	0.0	-71.23	413.10	3.03	-68.20
CC1CN(C(=O)C2CC3COCC[N@H+]3C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490768	1	56	0.0	-71.23	413.10	3.03	-68.20
CC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1)N1CCC1	REAL300029490782	0	51	0.0	-66.66	376.72	3.43	-63.23
CC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+]1CCC1	REAL300029490782	1	51	0.0	-66.66	376.72	3.43	-63.23
CCC(CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1)C[NH+](C)C	REAL300029490788	0	59	0.0	-71.16	428.91	5.42	-65.74
CC1CN(C(=O)C(C)(C)C[NH+](C)C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490796	0	56	0.0	-68.60	390.89	3.90	-64.70
CC1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490854	0	54	0.0	-66.10	397.72	4.41	-61.69
CC1CN(C(=O)[C@H]2CCCC[N@H+]2C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490854	1	54	0.0	-66.31	391.27	3.67	-62.64
CC1CN(C(=O)C2C[N@@H+]3CCN2CC3C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490868	0	57	0.0	-73.56	411.43	1.22	-72.34
CC1CN(C(=O)C2C[N@H+]3CCN2CC3C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490868	1	57	0.0	-73.97	411.39	1.21	-72.76
CC1CN(C(=O)CC(O)C[NH+](C)C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490889	0	54	0.0	-74.38	414.58	1.63	-72.75
CC1CN(C(=O)C2CC3CCC(C2)[NH+]3C)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490892	0	58	0.0	-64.51	406.87	4.32	-60.19
C=CCC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300029490924	0	54	0.0	-64.96	399.33	4.27	-60.69
CC1CN(C(=O)C2CC3CCCC[N@@H+]3C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490932	0	58	0.0	-68.45	421.39	5.43	-63.02
CC1CN(C(=O)C2CC3CCCC[N@H+]3C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490932	1	58	0.0	-68.62	421.08	5.42	-63.20
CC1CN(C(=O)C2(C)CC[NH+](C)CC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490943	0	57	0.0	-67.40	409.57	4.10	-63.30
CC1CN(C(=O)CC2(O)CC[NH+](C)CC2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490945	0	58	0.0	-70.90	432.32	2.96	-67.94
CC1=C2C=C(C(=O)NCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C)C=CN2C=[NH+]1	REAL300029491021	1	52	0.0	-74.99	411.40	6.56	-68.43
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CSCC[NH+](C)C	REAL300029491030	0	54	0.0	-78.27	421.63	4.56	-73.71
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1CC2COCC[N@@H+]2C1	REAL300029491038	0	56	0.0	-73.00	413.07	2.98	-70.02
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1CC2COCC[N@H+]2C1	REAL300029491038	1	56	0.0	-71.48	413.44	3.11	-68.37
C[N@@H+]1CCCC1C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029491201	0	50	0.0	-68.57	396.92	1.48	-67.09
C[N@H+]1CCCC1C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029491201	1	50	0.0	-70.14	398.12	1.52	-68.62
C[N@@H+]1CCOC(C(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)C1	REAL300029491225	1	51	0.0	-75.59	401.73	0.85	-74.74
C[N@H+]1CCOC(C(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)C1	REAL300029491225	1	51	0.0	-73.03	402.07	0.75	-72.28
CC(C)[N@@H+]1CCCC1C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029491375	0	56	0.0	-71.12	424.23	2.80	-68.32
CC(C)[N@H+]1CCCC1C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029491375	1	56	0.0	-68.97	429.59	2.59	-66.38
CC1=[NH+]C=CN1CC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029491405	1	48	0.0	-71.02	400.54	2.03	-68.99
O=C(NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C1C[NH+]2CCC1CC2	REAL300029491427	0	54	0.0	-79.76	412.78	2.26	-77.50
C[C@@H]1[C@H](C(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)CC[N@@H+]1C	REAL300029491460	0	53	0.0	-73.72	408.86	1.68	-72.04
C[C@@H]1[C@H](C(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)CC[N@H+]1C	REAL300029491460	1	53	0.0	-75.46	414.51	1.74	-73.72
CC[C@@H]1[C@@H](C(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)CC[N@@H+]1C	REAL300029491462	0	56	0.0	-73.87	428.30	2.21	-71.66
CC[C@@H]1[C@@H](C(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)CC[N@H+]1C	REAL300029491462	1	56	0.0	-73.95	433.80	2.52	-71.43
CC[N@@H+]1CCOC(C(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)C1	REAL300029491468	1	54	0.0	-83.16	426.39	1.61	-81.55
CC[N@H+]1CCOC(C(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)C1	REAL300029491468	1	54	0.0	-81.69	426.82	1.62	-80.07
CC[NH+](CC)CC(F)C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029491494	0	55	0.0	-75.20	434.87	2.46	-72.74
CC1CCC(C)[NH+]1CC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029491527	0	56	0.0	-69.41	428.69	2.46	-66.95
O=C(CCC[NH+]1CCCC1)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029491530	0	56	0.0	-75.04	441.38	2.99	-72.05
O=C(CC[NH+]1CCCCC1)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029491533	0	56	0.0	-73.73	434.79	2.91	-70.82
CC[N@@H+]1CCCCC1C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029491536	0	56	0.0	-69.61	420.96	2.54	-67.07
CC[N@H+]1CCCCC1C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029491536	1	56	0.0	-67.97	421.59	2.59	-65.38
C[NH+](C)C1(C(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)CCC1	REAL300029491546	0	53	0.0	-79.66	403.63	1.96	-77.70
CC(C)[C@@H](C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)[NH+](C)C	REAL300029491552	0	55	0.0	-68.30	415.47	2.05	-66.25
C[N@H+](CC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C1CCC1	REAL300029491576	0	53	0.0	-71.68	417.21	2.39	-69.29
C[N@@H+](CC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C1CCC1	REAL300029491576	1	53	0.0	-71.70	417.34	2.41	-69.29
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029491641	1	52	0.0	-69.91	418.31	2.28	-67.63
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029491641	1	52	0.0	-71.27	424.32	2.74	-68.53
C[N@@H+]1CCCC1CCC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029491646	0	56	0.0	-73.04	433.55	2.53	-70.51
C[N@H+]1CCCC1CCC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029491646	1	56	0.0	-72.74	433.20	2.54	-70.20
C[NH+]1CCC(C(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)CC1	REAL300029491662	0	53	0.0	-80.48	415.67	2.09	-78.39
C[N@@H+]1CCCCC1C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029491696	0	53	0.0	-68.90	413.09	2.10	-66.80
C[N@H+]1CCCCC1C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029491696	1	53	0.0	-71.15	413.03	1.98	-69.17
O=C(NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C1=CN2C=[NH+]C=C2C=C1	REAL300029491757	0	48	0.0	-76.50	401.27	3.92	-72.58
O=C(CC[NH+]1CCOCC1)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029491763	1	54	0.0	-76.61	426.51	0.52	-76.09
CC1=C[NH+]=CN1CC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029491776	1	48	0.0	-73.07	400.87	2.76	-70.31
O=C(NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C12CCC[NH+]1CCC2	REAL300029491795	0	54	0.0	-77.13	415.76	2.42	-74.71
C[N@@H+]1CCC(CC(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)C1	REAL300029491804	0	53	0.0	-74.69	417.54	2.08	-72.61
C[N@H+]1CCC(CC(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)C1	REAL300029491804	1	53	0.0	-76.35	418.11	2.10	-74.25
CCC(C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)[NH+](C)C	REAL300029491811	0	52	0.0	-69.95	401.79	1.46	-68.49
O=C(NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C1=CC2=C[NH+]=CN2C=C1	REAL300029491838	1	48	0.0	-81.68	401.54	3.93	-77.75
C[NH+](C)CCCCC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029491866	0	55	0.0	-77.44	436.91	2.59	-74.85
CC(C)C(C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)[NH+](C)C	REAL300029491878	0	55	0.0	-71.36	421.17	2.52	-68.84
CCC[N@H+](C)CCC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029491879	0	55	0.0	-74.83	432.84	2.47	-72.36
CCC[N@@H+](C)CCC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029491879	1	55	0.0	-76.93	432.70	2.36	-74.57
CCC[N@H+](C)CC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029491882	0	52	0.0	-73.75	410.34	1.83	-71.92
CCC[N@@H+](C)CC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029491882	1	52	0.0	-72.08	410.47	1.92	-70.16
O=C(NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C12CC[N@H+](C1)CCC2	REAL300029491896	0	54	0.0	-74.45	413.74	1.66	-72.79
O=C(NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C12CC[N@@H+](C1)CCC2	REAL300029491896	1	54	0.0	-74.63	413.24	1.65	-72.98
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029491922	0	50	0.0	-71.16	391.11	1.02	-70.14
C[N@H+]1CCC[C@@H]1C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029491922	1	50	0.0	-70.14	398.08	1.52	-68.62
CC[NH+](CC)CC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029491955	0	52	0.0	-71.35	403.14	1.53	-69.82
CC1CC[NH+](CC(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)CC1	REAL300029492015	0	56	0.0	-74.26	434.06	2.92	-71.34
C[NH+](C)CC1(C(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)CC1	REAL300029492035	0	53	0.0	-78.65	422.90	2.18	-76.47
C[NH+]1CCC(C(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)CC1	REAL300029492087	0	53	0.0	-80.48	415.67	2.09	-78.39
CC(C)[C@H](C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)[NH+](C)C	REAL300029492103	0	55	0.0	-71.51	421.88	2.47	-69.04
CCC(C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)[NH+](CC)CC	REAL300029492131	0	58	0.0	-66.33	435.03	2.92	-63.41
CC[N@H+](C)CCC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492164	0	52	0.0	-75.29	411.65	1.67	-73.62
CC[N@@H+](C)CCC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492164	1	52	0.0	-75.33	411.65	1.68	-73.65
CC1CCC[N@@H+]1CC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492190	0	53	0.0	-69.25	417.69	2.17	-67.08
CC1CCC[N@H+]1CC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492190	1	53	0.0	-70.28	416.61	2.25	-68.03
CC1CC[N@H+](CC(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)C1	REAL300029492191	0	53	0.0	-71.66	417.54	2.27	-69.39
CC1CC[N@@H+](CC(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)C1	REAL300029492191	1	53	0.0	-71.67	417.04	2.26	-69.41
CC1(C)CC[N@H+](CC(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)C1	REAL300029492195	0	56	0.0	-71.23	436.27	2.77	-68.46
CC1(C)CC[N@@H+](CC(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)C1	REAL300029492195	1	56	0.0	-71.71	436.92	2.74	-68.97
C[N@H+](CC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)CC(C)(C)C	REAL300029492196	0	58	0.0	-73.57	440.74	2.90	-70.67
C[N@@H+](CC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)CC(C)(C)C	REAL300029492196	1	58	0.0	-73.33	441.24	2.98	-70.35
CC[C@@H](C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)[NH+](C)C	REAL300029492204	0	52	0.0	-70.02	402.15	1.43	-68.59
C[NH+](C)CC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492300	0	46	0.0	-73.38	371.55	0.45	-72.93
O=C(C[NH+]1CCCCCC1)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492303	0	56	0.0	-73.15	422.18	2.47	-70.68
CN1C=C[N+](CC(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)=C1	REAL300029492306	0	48	0.0	-71.03	402.78	3.97	-67.06
C[N@@H+]1CCCC(C(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)C1	REAL300029492310	0	53	0.0	-74.29	415.99	2.16	-72.13
C[N@H+]1CCCC(C(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)C1	REAL300029492310	1	53	0.0	-67.96	409.66	2.28	-65.68
O=C(NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C1CCC[N@@H+]1C1CC1	REAL300029492315	0	54	0.0	-67.56	429.10	3.03	-64.53
O=C(NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C1CCC[N@H+]1C1CC1	REAL300029492315	1	54	0.0	-71.61	421.66	2.37	-69.24
CC(C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)[NH+]1CCC1	REAL300029492330	1	50	0.0	-70.79	399.69	1.50	-69.29
CCC(CC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C[NH+](C)C	REAL300029492334	0	58	0.0	-68.83	446.79	3.06	-65.77
C[NH+](C)CC(C)(C)C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492339	0	55	0.0	-71.94	420.69	2.31	-69.63
O=C(C[NH+]1CCC(O)CC1)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492352	1	54	0.0	-77.60	424.75	-1.02	-78.62
C[N@H+](CC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C1CC1	REAL300029492353	0	50	0.0	-69.97	400.82	1.86	-68.11
C[N@@H+](CC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C1CC1	REAL300029492353	1	50	0.0	-70.53	400.96	1.86	-68.67
C[NH+]1CC(CC(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)C1	REAL300029492368	0	50	0.0	-75.04	402.99	1.28	-73.76
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492379	0	56	0.0	-68.58	415.70	2.06	-66.52
CC(C)(C)[N@H+]1CCC1C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492379	1	56	0.0	-68.57	432.43	2.20	-66.37
C[C@@H](C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)[NH+](C)C	REAL300029492390	0	49	0.0	-71.71	389.61	0.83	-70.88
[NH2+]=C1SC=CN1CC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492447	0	46	0.0	-70.68	398.18	0.59	-70.09
C[N@H+](CCO)CCC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492453	0	53	0.0	-76.21	421.55	-1.60	-77.81
C[N@@H+](CCO)CCC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492453	1	53	0.0	-75.48	421.53	-1.61	-77.09
C[C@@H](C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)[NH+](C)C	REAL300029492454	0	49	0.0	-71.71	389.61	0.83	-70.88
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492458	0	53	0.0	-70.40	404.14	1.90	-68.50
C[N@H+]1CCCC[C@@H]1C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492458	1	53	0.0	-69.16	413.64	2.08	-67.08
C[N@@H+]1CCC(=CC(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)C1	REAL300029492525	0	51	0.0	-77.17	410.52	2.05	-75.12
C[N@H+]1CCC(=CC(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)C1	REAL300029492525	1	51	0.0	-77.35	409.56	2.09	-75.26
C[NH+](C)CCOCC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492546	0	53	0.0	-74.27	427.42	1.50	-72.77
C=CCC(C)(C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)[NH+](C)C	REAL300029492559	0	56	0.0	-77.70	426.27	2.69	-75.01
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492580	0	54	0.0	-71.33	419.12	-1.07	-72.40
CC1CN(CC(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)C1	REAL300029492598	0	50	0.0	-74.57	401.18	1.57	-73.00
CC1C[NH+](CC(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)C1	REAL300029492598	1	50	0.0	-74.57	401.18	1.57	-73.00
CN(CCO)CC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492616	0	50	0.0	-72.21	399.32	-2.06	-74.27
C[N@H+](CCO)CC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492616	1	50	0.0	-74.54	398.97	-2.17	-76.71
C[N@@H+](CCO)CC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492616	1	50	0.0	-74.54	398.97	-2.17	-76.71
CC[N@@H+]1CCCC(C(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)C1	REAL300029492636	0	56	0.0	-65.60	427.20	3.00	-62.60
CC[N@H+]1CCCC(C(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)C1	REAL300029492636	1	56	0.0	-65.60	427.20	3.00	-62.60
CC(CC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C[NH+](C)C	REAL300029492638	0	55	0.0	-76.26	428.74	2.46	-73.80
CC[N@H+](C)CC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492643	0	49	0.0	-73.46	388.84	1.09	-72.37
CC[N@H+](CC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C1CC1	REAL300029492675	0	53	0.0	-70.18	417.60	2.46	-67.72
CC[NH+](CC)CCC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492685	0	55	0.0	-74.76	425.15	2.09	-72.67
CC1(O)CC[N@H+](CC(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)C1	REAL300029492720	0	54	0.0	-71.41	427.53	-1.11	-72.52
C[NH+](C)CC=CC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492723	0	50	0.0	-78.76	407.52	1.67	-77.09
CC(OCC[NH+](C)C)C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492732	0	56	0.0	-72.27	447.20	2.19	-70.08
C[NH+](C)CCOCCC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492738	0	56	0.0	-75.16	448.37	1.25	-73.91
COCCN(C)CC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492739	0	53	0.0	-74.36	421.22	0.23	-74.13
COCC[N@H+](C)CC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492739	1	53	0.0	-72.26	421.57	0.34	-71.92
COCC[N@@H+](C)CC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492739	1	53	0.0	-72.26	421.57	0.34	-71.92
C[NH+](C)C1(C(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)CCCC1	REAL300029492759	0	56	0.0	-78.15	422.67	2.65	-75.50
CC(CCC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)[NH+](C)C	REAL300029492761	0	55	0.0	-74.38	428.83	2.18	-72.20
CCN1CCC1C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492767	0	50	0.0	-70.17	396.43	1.22	-68.95
CC[N@@H+]1CCC1C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492767	1	50	0.0	-71.33	402.86	1.53	-69.80
CC[N@H+]1CCC1C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492767	1	50	0.0	-71.33	402.86	1.53	-69.80
O=C(C[N@H+]1CCCC1CO)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492779	0	54	0.0	-71.40	421.28	-1.44	-72.84
C[NH+]1CCC(C)(C(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)CC1	REAL300029492800	0	56	0.0	-74.94	428.36	2.50	-72.44
C=CCC(C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)[NH+](C)C	REAL300029492818	0	53	0.0	-69.27	414.60	1.89	-67.38
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492825	0	56	0.0	-68.30	431.61	2.11	-66.19
C[NH+](C)CCCCCC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492827	0	58	0.0	-76.84	458.41	3.37	-73.47
CCCC(C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)[NH+](C)C	REAL300029492847	0	55	0.0	-71.94	426.81	2.83	-69.11
C[NH+](C)C(C)(C)C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492850	0	52	0.0	-76.42	398.79	1.64	-74.78
C[N@@H+]1CCCCC1C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492875	0	53	0.0	-68.90	413.09	2.10	-66.80
C[N@H+]1CCCCC1C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492875	1	53	0.0	-71.15	413.03	1.98	-69.17
C[N@H+]1CC=C(CC(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)CC1	REAL300029492898	0	54	0.0	-73.98	430.25	2.74	-71.24
C[N@@H+]1CC=C(CC(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)CC1	REAL300029492898	1	54	0.0	-72.59	430.94	2.80	-69.79
O=C(C=CC[NH+]1CCCC1)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492932	0	54	0.0	-77.63	433.86	2.88	-74.75
C[NH+](C)C1(C(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)CC1	REAL300029492962	0	50	0.0	-78.39	399.63	1.78	-76.61
O=C(CC[NH+]1CCCC1)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492964	0	53	0.0	-74.82	419.88	2.19	-72.63
O=C(NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C1C[NH+]2CCN1CC2	REAL300029492987	0	53	0.0	-83.17	407.44	-1.10	-84.27
C[N@@H+]1CC2CC1(C(=O)NCC1CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO1)C2	REAL300029492991	0	51	0.0	-75.91	403.59	1.69	-74.22
C[N@H+]1CC2CC1(C(=O)NCC1CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO1)C2	REAL300029492991	1	51	0.0	-74.99	402.52	1.63	-73.36
O=C(C[N@@H+]1CC2CCC1C2)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492998	0	54	0.0	-70.66	418.16	2.66	-68.00
O=C(C[N@H+]1CC2CCC1C2)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492998	1	54	0.0	-71.57	417.71	2.56	-69.01
O=C(C[N@@H+]1CC2C=CC1C2)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029493036	1	52	0.0	-70.45	410.78	2.46	-67.99
O=C(C[N@H+]1CC2C=CC1C2)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029493036	1	52	0.0	-70.22	410.86	2.51	-67.71
CC(C[NH+](C)C)C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029493068	0	52	0.0	-75.19	409.96	1.73	-73.46
C[N@@H+]1CCCCC1CC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029493112	0	56	0.0	-64.20	423.00	2.56	-61.64
C[N@H+]1CCCCC1CC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029493112	1	56	0.0	-75.50	430.91	2.71	-72.79
CC(C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)[NH+]1CC(C)C1	REAL300029493122	1	53	0.0	-70.36	420.30	2.13	-68.23
CC1CC[N@@H+]1CC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029493124	1	50	0.0	-70.99	397.58	1.27	-69.72
CC1CC[N@H+]1CC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029493124	1	50	0.0	-71.73	402.61	1.53	-70.20
C[NH+](C)CC(O)CC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029493127	0	53	0.0	-79.56	424.25	-0.54	-80.10
CC1C[N@H+](C)CC(C(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)O1	REAL300029493147	1	54	0.0	-79.00	422.82	1.55	-77.45
CC1C[N@@H+](C)CC(C(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)O1	REAL300029493147	1	54	0.0	-85.80	429.92	1.64	-84.16
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)C1	REAL300029493189	0	53	0.0	-72.35	421.31	2.27	-70.08
CC(CC[NH+](C)C)C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029493194	0	55	0.0	-75.76	431.59	2.34	-73.42
C[NH+]1CCN(CC(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)CC1	REAL300029493211	1	55	0.0	-73.30	430.27	0.02	-73.28
NC(=[NH2+])SCC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029493233	0	44	0.0	-75.91	380.08	-2.67	-78.58
C[NH+](C)CCC1(C(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)CC1	REAL300029493261	0	56	0.0	-80.52	446.85	2.96	-77.56
C[N@@H+]1CC=CCC1CC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029493262	0	54	0.0	-76.32	422.90	2.55	-73.77
C[N@H+]1CC=CCC1CC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029493262	1	54	0.0	-68.49	417.41	2.50	-65.99
C[C@@H](OCC[NH+](C)C)C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029493274	0	56	0.0	-72.36	447.21	2.19	-70.17
CCC1CN(CC(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)C1	REAL300029493352	0	53	0.0	-74.99	423.74	2.27	-72.72
CCC1C[NH+](CC(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)C1	REAL300029493352	1	53	0.0	-74.99	423.74	2.27	-72.72
C[N@@H+]1CCC[C@H]1C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029493357	0	50	0.0	-71.44	391.68	1.04	-70.40
O=C(CC[N@H+]1CCC(F)C1)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029493363	0	53	0.0	-78.32	425.28	2.27	-76.05
CC1C(C(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)CC[N@@H+]1C	REAL300029493382	0	53	0.0	-75.45	409.05	1.71	-73.74
CC1C(C(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)CC[N@H+]1C	REAL300029493382	1	53	0.0	-75.45	409.05	1.71	-73.74
CN1CCOCC1CC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029493411	0	54	0.0	-69.68	414.68	0.12	-69.56
C[N@@H+]1CCOCC1CC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029493411	1	54	0.0	-69.33	414.78	0.18	-69.15
C[N@H+]1CCOCC1CC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029493411	1	54	0.0	-69.33	414.78	0.18	-69.15
C[N@@H+]1CCCC1C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029493581	0	50	0.0	-74.92	392.41	1.06	-73.86
CN1CCOC(C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029493607	0	51	0.0	-88.55	408.18	0.98	-87.57
C[N@@H+]1CCOC(C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029493607	1	51	0.0	-82.86	408.13	0.87	-81.99
C[N@H+]1CCOC(C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029493607	1	51	0.0	-82.86	408.13	0.87	-81.99
O=C(CCN1CCOCC1)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029493758	0	54	0.0	-81.47	428.62	0.55	-80.92
O=C(CC[NH+]1CCOCC1)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029493758	1	54	0.0	-81.47	428.62	0.55	-80.92
O=C(NCC1CC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)CO1)C1=CC(=O)[N-]O1	REAL300029493768	0	54	0.0	-69.84	413.50	2.16	-67.68
O=C(NCC1CC2(CN(C(=O)C3=CC4=CN=CN4C=C3)C2)CO1)C1=CC(=O)[N-]O1	REAL300029493774	0	48	0.0	-84.98	399.45	3.65	-81.33
O=C(NCC1CC2(CN(C(=O)C3=CC4=C[NH+]=CN4C=C3)C2)CO1)C1=CC(=O)[N-]O1	REAL300029493774	1	48	0.0	-84.98	399.45	3.65	-81.33
C[N@@H+]1CCC(CC(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029493800	0	53	0.0	-78.05	420.07	2.22	-75.83
C[N@H+]1CCC(CC(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029493800	1	53	0.0	-78.05	420.07	2.22	-75.83
CCC(C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029493807	0	52	0.0	-75.33	404.77	1.66	-73.67
C[NH+](C)CCCCC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029493842	0	55	0.0	-80.30	438.79	2.72	-77.58
CC(C)C(C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029493856	0	55	0.0	-75.06	417.50	2.22	-72.84
CCC[N@H+](C)CCC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029493857	0	55	0.0	-79.49	435.02	2.54	-76.95
CCC[N@@H+](C)CCC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029493857	1	55	0.0	-79.49	435.02	2.55	-76.94
CCC[N@H+](C)CC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029493860	0	52	0.0	-76.12	412.63	1.96	-74.16
CCC[N@@H+](C)CC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029493860	1	52	0.0	-69.34	412.45	2.04	-67.30
O=C(NCC1CC2(CN(C(=O)C34CC[N@H+](C3)CCC4)C2)CO1)C1=CC(=O)[N-]O1	REAL300029493874	0	54	0.0	-79.14	410.09	1.58	-77.56
O=C(NCC1CC2(CN(C(=O)C34CC[N@@H+](C3)CCC4)C2)CO1)C1=CC(=O)[N-]O1	REAL300029493874	1	54	0.0	-77.99	408.94	1.47	-76.52
CC1CC[NH+](CC(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029493907	0	56	0.0	-76.60	436.39	3.06	-73.54
C[NH+](C)CC1(C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029493946	0	53	0.0	-78.80	425.07	2.39	-76.41
CC[N@H+](C)CCC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029493965	0	52	0.0	-78.57	413.52	1.78	-76.79
CC[N@@H+](C)CCC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029493965	1	52	0.0	-78.71	413.52	1.80	-76.91
O=C(NCC1CC2(CN(C(=O)C3C[NH+]4CCC3CC4)C2)CO1)C1=CC(=O)[N-]O1	REAL300029493978	0	54	0.0	-80.04	412.04	2.20	-77.84
C[NH+]1CCC(C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029494025	0	53	0.0	-74.56	415.12	2.07	-72.49
CC(C)[C@H](C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029494041	0	55	0.0	-68.61	416.58	2.04	-66.57
CC[NH+](CC)CC(F)C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029494094	0	55	0.0	-80.18	429.87	2.15	-78.03
C[NH+](C)C1(C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)CCC1	REAL300029494112	0	53	0.0	-77.87	405.24	1.71	-76.16
CCC(C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](CC)CC	REAL300029494140	0	58	0.0	-70.20	437.71	2.80	-67.40
CC1CCC[N@@H+]1CC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029494150	0	53	0.0	-71.19	411.63	1.95	-69.24
CC1CCC[N@H+]1CC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029494150	1	53	0.0	-66.46	418.13	2.30	-64.16
CC(C)[N@@H+]1CCCC1C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029494188	0	56	0.0	-73.99	421.44	2.81	-71.18
CC(C)[N@H+]1CCCC1C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029494188	1	56	0.0	-65.15	429.26	2.63	-62.52
CC(C)[C@@H](C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029494195	0	55	0.0	-67.49	418.83	2.48	-65.01
CC1CC[N@H+](CC(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029494208	0	53	0.0	-73.43	419.11	2.24	-71.19
CC1CC[N@@H+](CC(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029494208	1	53	0.0	-72.32	418.65	2.25	-70.07
CC1(C)CC[N@H+](CC(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029494212	0	56	0.0	-73.87	438.86	2.85	-71.02
CC1(C)CC[N@@H+](CC(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029494212	1	56	0.0	-68.45	438.78	2.88	-65.57
C[N@H+](CC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300029494213	0	58	0.0	-69.20	441.05	3.02	-66.18
C[N@@H+](CC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300029494213	1	58	0.0	-68.78	443.00	3.18	-65.60
CC[C@@H](C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029494221	0	52	0.0	-67.77	406.81	1.77	-66.00
CC1=[NH+]C=CN1CC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029494326	1	48	0.0	-73.02	401.82	2.13	-70.89
CC[N@@H+]1CCOC(C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029494381	1	54	0.0	-85.41	426.26	1.59	-83.82
CC[N@H+]1CCOC(C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029494381	1	54	0.0	-73.42	416.78	1.32	-72.10
O=C(NCC1CC2(CN(C(=O)C3=CN4C=[NH+]C=C4C=C3)C2)CO1)C1=CC(=O)[N-]O1	REAL300029494410	0	48	0.0	-79.15	399.15	3.63	-75.52
CC1=C[NH+]=CN1CC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029494413	1	48	0.0	-76.03	402.11	2.84	-73.19
C[C@@H]1[C@H](C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029494419	0	53	0.0	-73.83	409.94	1.84	-71.99
C[C@@H]1[C@H](C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029494419	1	53	0.0	-70.97	415.79	1.86	-69.11
CC[C@@H]1[C@@H](C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029494421	0	56	0.0	-76.29	426.38	2.15	-74.14
CC[C@@H]1[C@@H](C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029494421	1	56	0.0	-75.58	432.80	2.66	-72.92
CC1CCC(C)[NH+]1CC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029494428	0	56	0.0	-72.32	430.60	2.59	-69.73
O=C(CCC[NH+]1CCCC1)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029494431	0	56	0.0	-77.75	441.64	2.98	-74.77
O=C(CC[NH+]1CCCCC1)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029494435	0	56	0.0	-77.91	437.43	3.02	-74.89
CC[N@@H+]1CCCCC1C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029494438	0	56	0.0	-70.22	432.73	2.82	-67.40
CC[N@H+]1CCCCC1C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029494438	1	56	0.0	-70.19	433.19	2.82	-67.37
C[N@H+](CC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300029494529	0	53	0.0	-73.74	419.50	2.54	-71.20
C[N@@H+](CC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300029494529	1	53	0.0	-67.46	419.46	2.61	-64.85
C[NH+]1CCC(C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029494557	0	53	0.0	-74.56	415.12	2.07	-72.49
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029494585	0	50	0.0	-69.34	392.38	1.11	-68.23
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029494585	1	50	0.0	-71.79	397.19	1.56	-70.23
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029494602	1	52	0.0	-73.79	419.24	2.26	-71.53
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029494602	1	52	0.0	-68.87	422.17	2.62	-66.25
C[N@@H+]1CCCC1CCC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029494607	0	56	0.0	-78.28	441.01	3.12	-75.16
C[N@H+]1CCCC1CCC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029494607	1	56	0.0	-70.28	435.17	2.68	-67.60
C[N@@H+]1CCCCC1C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029494676	0	53	0.0	-74.12	401.82	1.69	-72.43
C[N@H+]1CCCCC1C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029494676	1	53	0.0	-72.95	402.17	1.70	-71.25
CC1C(C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029494731	0	53	0.0	-72.70	411.05	1.66	-71.04
CC1C(C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029494731	1	53	0.0	-76.13	412.22	1.66	-74.47
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029494785	0	56	0.0	-72.14	412.79	1.72	-70.42
CC(C)(C)[N@H+]1CCC1C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029494785	1	56	0.0	-71.48	416.55	1.59	-69.89
C[C@@H](C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029494799	0	49	0.0	-67.95	390.65	0.98	-66.97
C=CCC(C)(C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029494813	0	56	0.0	-83.58	422.59	2.77	-80.81
O=C(CC[NH+]1CCCC1)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029494828	0	53	0.0	-78.14	421.76	2.31	-75.83
C[N@H+](CCO)CC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029494837	1	50	0.0	-69.75	401.30	-1.94	-71.69
C[N@@H+](CCO)CC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029494837	1	50	0.0	-69.74	401.10	-1.93	-71.67
C[N@H+]1CC=C(CC(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029494890	0	54	0.0	-71.35	432.35	2.95	-68.40
C[N@@H+]1CC=C(CC(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029494890	1	54	0.0	-73.47	432.55	2.88	-70.59
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029494911	0	54	0.0	-77.69	413.95	-1.66	-79.35
C[N@H+]1CC(O)CC1(C)C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029494911	1	54	0.0	-82.70	413.29	-1.69	-84.39
CC1C[NH+](CC(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029494939	1	50	0.0	-71.60	402.99	1.66	-69.94
CC[N@@H+]1CCCC(C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029494945	0	56	0.0	-68.27	426.96	2.86	-65.41
CC[N@H+]1CCCC(C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029494945	1	56	0.0	-75.30	432.84	2.64	-72.66
NC1=[NH+]C=CC=C1CC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029494949	0	49	0.0	-68.10	407.46	0.44	-67.66
O=C(NCC1CC2(CN(C(=O)C3CCC[N@@H+]3C3CC3)C2)CO1)C1=CC(=O)[N-]O1	REAL300029494956	0	54	0.0	-73.35	425.40	2.57	-70.78
O=C(NCC1CC2(CN(C(=O)C3CCC[N@H+]3C3CC3)C2)CO1)C1=CC(=O)[N-]O1	REAL300029494956	1	54	0.0	-66.75	423.41	2.81	-63.94
O=C(C=CC[NH+]1CCCC1)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029494982	0	54	0.0	-80.75	433.84	2.83	-77.92
CC[N@H+](C)CC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495025	0	49	0.0	-69.01	390.95	1.29	-67.72
O=C(CN1CC2C=CC1C2)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495058	0	52	0.0	-73.56	412.75	2.52	-71.04
O=C(C[N@@H+]1CC2C=CC1C2)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495058	1	52	0.0	-72.29	412.35	2.44	-69.85
O=C(C[N@H+]1CC2C=CC1C2)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495058	1	52	0.0	-72.29	412.35	2.44	-69.85
CC(OCC[NH+](C)C)C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495138	0	56	0.0	-75.70	444.50	2.20	-73.50
C[NH+](C)CCOCCC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495145	0	56	0.0	-77.74	450.25	1.37	-76.37
COCCN(C)CC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495147	0	53	0.0	-69.65	423.35	0.47	-69.18
COCC[N@H+](C)CC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495147	1	53	0.0	-77.25	423.74	0.39	-76.86
COCC[N@@H+](C)CC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495147	1	53	0.0	-77.25	423.74	0.39	-76.86
CC(CCC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029495150	0	55	0.0	-77.23	430.71	2.32	-74.91
CC[N@H+](CC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029495165	0	53	0.0	-73.17	419.48	2.59	-70.58
C[N@@H+]1CC2CC1(C(=O)N1CC3(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029495191	0	51	0.0	-77.90	398.81	1.73	-76.17
O=C(C[N@@H+]1CC2CCC1C2)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495200	0	54	0.0	-68.76	417.35	2.43	-66.33
O=C(C[N@H+]1CC2CCC1C2)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495200	1	54	0.0	-68.76	417.35	2.43	-66.33
CC(C[NH+](C)C)C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495214	0	52	0.0	-78.54	409.14	1.62	-76.92
CCN1CCC1C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495249	0	50	0.0	-68.92	404.82	1.60	-67.32
CC[N@@H+]1CCC1C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495249	1	50	0.0	-67.07	396.90	1.23	-65.84
CC[N@H+]1CCC1C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495249	1	50	0.0	-67.07	396.90	1.23	-65.84
CCC(C)(C)[NH2+]C(C)C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495258	0	58	0.0	-72.63	436.15	0.95	-71.68
CCCC(C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029495292	0	55	0.0	-75.94	426.27	2.42	-73.52
C[NH+](C)C(C)(C)C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495296	0	52	0.0	-82.08	395.77	1.64	-80.44
CC(CC[NH+](C)C)C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495309	0	55	0.0	-78.68	430.78	2.25	-76.43
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495363	0	56	0.0	-75.09	433.09	2.10	-72.99
C[N@H+]1CC(C)(C)CC1C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495363	1	56	0.0	-75.09	433.09	2.10	-72.99
C[NH+](C)CCCCCC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495365	0	58	0.0	-79.55	460.29	3.51	-76.04
CN1CCN(CC(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029495372	0	55	0.0	-71.42	432.23	0.11	-71.31
C[NH+]1CCN(CC(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029495372	1	55	0.0	-71.42	432.23	0.11	-71.31
CC1CN(C)CC(C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029495422	0	54	0.0	-79.88	422.69	1.49	-78.39
CC1C[N@H+](C)CC(C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029495422	1	54	0.0	-85.73	429.50	1.73	-84.00
CC1C[N@@H+](C)CC(C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029495422	1	54	0.0	-85.73	429.50	1.73	-84.00
C[N@@H+]1CCCCC1C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495475	0	53	0.0	-72.95	402.17	1.70	-71.25
C[N@@H+]1CCC(=CC(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029495542	0	51	0.0	-74.67	411.80	2.15	-72.52
C[N@H+]1CCC(=CC(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029495542	1	51	0.0	-74.67	411.80	2.15	-72.52
O=C(CNC1=CC=[NH+]C=C1)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495545	0	49	0.0	-77.72	409.14	-0.15	-77.87
C[NH+](C)C1(C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300029495599	0	56	0.0	-79.18	411.68	2.16	-77.02
CCC1CN(CC(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029495608	0	53	0.0	-70.34	425.67	2.43	-67.91
CCC1C[NH+](CC(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029495608	1	53	0.0	-70.34	425.67	2.43	-67.91
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495618	0	50	0.0	-67.78	392.18	1.12	-66.66
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029495708	0	53	0.0	-70.47	422.76	2.36	-68.11
C[NH+](C)CCC1(C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029495717	0	56	0.0	-82.54	447.59	2.99	-79.55
C[N@@H+]1CC=CCC1CC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495718	0	54	0.0	-67.94	419.91	2.57	-65.37
C[N@H+]1CC=CCC1CC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495718	1	54	0.0	-67.94	419.91	2.57	-65.37
C[NH+](C)CCOCC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495751	0	53	0.0	-76.62	429.23	1.64	-74.98
[NH2+]=C1SC=CN1CC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495777	0	46	0.0	-72.40	400.48	0.73	-71.67
C[C@@H](OCC[NH+](C)C)C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495813	0	56	0.0	-70.75	446.41	2.17	-68.58
O=C(C[NH+]1CCCCC1)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495840	0	53	0.0	-75.65	415.17	2.44	-73.21
C[N@@H+]1CCCC(C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029495841	0	53	0.0	-78.77	418.09	2.15	-76.62
C[N@H+]1CCCC(C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029495841	1	53	0.0	-66.81	408.89	2.12	-64.69
O=C(C[NH+]1CCCCCC1)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495842	0	56	0.0	-75.29	424.39	2.62	-72.67
CN1C=C[N+](CC(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029495845	0	48	0.0	-67.73	404.45	4.14	-63.59
O=C(C[NH+]1CCC(O)CC1)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495865	1	54	0.0	-79.76	426.24	-0.90	-80.66
C[N@H+](CC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029495866	0	50	0.0	-73.16	402.70	1.98	-71.18
C[N@@H+](CC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029495866	1	50	0.0	-73.62	402.84	1.97	-71.65
O=C(CC[N@H+]1CCC(F)C1)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495869	0	53	0.0	-78.08	427.53	2.41	-75.67
O=C(CC[N@@H+]1CCC(F)C1)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495869	1	53	0.0	-74.86	427.33	2.33	-72.53
CC(CC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300029495889	0	55	0.0	-78.98	430.44	2.58	-76.40
C[N@@H+]1CCOCC1CC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495908	1	54	0.0	-77.30	423.60	0.33	-76.97
C[N@H+]1CCOCC1CC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495908	1	54	0.0	-81.47	423.60	0.41	-81.06
CC1=CC(N)=[NH+]C=C1C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495947	1	49	0.0	-73.05	401.95	-0.14	-73.19
CC1(O)CC[N@H+](CC(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029495976	0	54	0.0	-74.60	429.91	-1.07	-75.67
CC1(O)CC[N@@H+](CC(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029495976	1	54	0.0	-72.34	429.18	-1.03	-73.37
C[NH+]1CC(CC(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029496002	0	50	0.0	-77.92	404.71	1.41	-76.51
C[NH+](C)CC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029496012	0	46	0.0	-76.56	373.43	0.58	-75.98
C[N@H+](CCO)CCC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029496027	0	53	0.0	-78.56	423.87	-1.41	-79.97
C[N@@H+](CCO)CCC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029496027	1	53	0.0	-77.90	423.86	-1.43	-79.33
C[C@@H](C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029496028	0	49	0.0	-67.95	390.65	0.98	-66.97
C[N@@H+]1CCCCC1CC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029496043	0	56	0.0	-66.13	424.72	2.58	-63.55
C[N@H+]1CCCCC1CC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029496043	1	56	0.0	-77.89	432.87	2.73	-75.16
CC(C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CC(C)C1	REAL300029496054	0	53	0.0	-68.91	418.03	2.00	-66.91
CC1CC[N@@H+]1CC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029496056	1	50	0.0	-67.63	398.93	1.44	-66.19
CC1CC[N@H+]1CC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029496056	1	50	0.0	-74.91	404.72	1.67	-73.24
C[NH+](C)CC=CC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029496062	0	50	0.0	-81.96	409.23	1.75	-80.21
CC1(C)C[NH+](CC(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029496068	1	53	0.0	-69.38	423.58	2.20	-67.18
C[NH+](C)CCSCC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029496087	0	53	0.0	-83.16	440.26	2.46	-80.70
O=C(C[N@H+]1CCCC1CO)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029496104	0	54	0.0	-73.70	423.27	-1.32	-75.02
O=C(C[N@@H+]1CCCC1CO)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029496104	1	54	0.0	-67.85	426.38	-0.77	-68.62
CC[NH+](CC)CC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029496108	0	52	0.0	-74.37	405.01	1.65	-72.72
O=C(C[NH+]1CCC1)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029496117	1	47	0.0	-71.63	383.52	1.05	-70.58
CC[NH+](CC)CCC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029496147	0	55	0.0	-78.15	427.02	2.23	-75.92
CC(C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300029496203	1	50	0.0	-69.69	402.99	1.47	-68.22
CCC(CC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300029496208	0	58	0.0	-79.49	444.44	3.02	-76.47
NC1=CC=C(C=CC(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)C=[NH+]1	REAL300029496213	0	50	0.0	-82.38	420.53	0.79	-81.59
C[NH+](C)CC(C)(C)C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029496214	0	55	0.0	-77.93	416.25	1.79	-76.14
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029496248	0	53	0.0	-73.49	401.66	1.69	-71.80
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029496248	1	53	0.0	-73.33	415.13	2.14	-71.19
C[NH+](C)CC(O)CC(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029496270	0	53	0.0	-82.42	425.96	-0.40	-82.82
C=CCC(C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029496291	0	53	0.0	-75.84	418.76	2.18	-73.66
C[NH+]1CCC(C)(C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029496303	0	56	0.0	-77.41	424.44	2.18	-75.23
C[NH+](C)CCSCC(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029496363	0	53	0.0	-80.60	438.45	2.39	-78.21
C[N@@H+]1CCCC1C(=O)N1CCCC(C2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029496481	0	58	0.0	-69.85	402.28	5.61	-64.24
C[N@H+]1CCCC1C(=O)N1CCCC(C2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029496481	1	58	0.0	-64.97	401.73	5.45	-59.52
CCC(C(=O)N1CCCC(C2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029496604	0	60	0.0	-64.65	412.42	5.96	-58.69
CCC[N@H+](C)CC(=O)N1CCCC(C2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029496610	0	60	0.0	-68.16	422.63	6.31	-61.85
CCC[N@@H+](C)CC(=O)N1CCCC(C2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029496610	1	60	0.0	-66.12	422.95	6.44	-59.68
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC(C2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029496618	0	58	0.0	-66.09	402.31	5.57	-60.52
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC(C2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029496618	1	58	0.0	-65.13	403.21	5.58	-59.55
CC[NH+](CC)CC(=O)N1CCCC(C2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029496624	0	60	0.0	-64.43	419.27	6.33	-58.10
CC[N@H+](C)CCC(=O)N1CCCC(C2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029496686	0	60	0.0	-71.33	423.85	6.29	-65.04
CC[N@@H+](C)CCC(=O)N1CCCC(C2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029496686	1	60	0.0	-70.61	423.50	6.16	-64.45
CC[C@@H](C(=O)N1CCCC(C2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029496689	0	60	0.0	-64.93	413.17	6.10	-58.83
C[NH+](C)CC(=O)N1CCCC(C2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029496709	0	54	0.0	-68.95	383.41	4.90	-64.05
CC(C(=O)N1CCCC(C2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029496714	1	58	0.0	-71.60	401.71	5.66	-65.94
C[N@H+](CC(=O)N1CCCC(C2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029496721	0	58	0.0	-65.01	412.67	6.30	-58.71
C[N@@H+](CC(=O)N1CCCC(C2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029496721	1	58	0.0	-63.93	413.15	6.43	-57.50
C[NH+]1CC(CC(=O)N2CCCC(C3CCCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029496727	0	58	0.0	-69.85	415.04	5.87	-63.98
C[C@@H](C(=O)N1CCCC(C2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029496736	0	57	0.0	-66.27	400.00	5.42	-60.85
C[C@@H](C(=O)N1CCCC(C2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029496761	0	57	0.0	-66.27	400.00	5.42	-60.85
O=C(C[NH+]1CCC1)N1CCCC(C2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029496781	1	55	0.0	-67.36	394.05	5.48	-61.88
C[C@H](C(=O)N1CCCC(C2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029496794	0	57	0.0	-63.86	399.88	5.28	-58.58
CC1C[NH+](CC(=O)N2CCCC(C3CCCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029496802	1	58	0.0	-66.98	415.05	6.10	-60.88
C[N@H+](CCO)CC(=O)N1CCCC(C2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029496813	1	58	0.0	-68.25	411.83	2.44	-65.81
C[N@@H+](CCO)CC(=O)N1CCCC(C2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029496813	1	58	0.0	-67.94	411.51	2.33	-65.61
CC[N@H+](C)CC(=O)N1CCCC(C2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029496821	0	57	0.0	-67.94	401.13	5.57	-62.37
CC[N@@H+](C)CC(=O)N1CCCC(C2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029496821	1	57	0.0	-66.10	401.45	5.70	-60.40
C[NH+](C)CC=CC(=O)N1CCCC(C2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029496842	0	58	0.0	-78.71	419.41	6.13	-72.58
CC[N@@H+]1CCC1C(=O)N1CCCC(C2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029496849	1	58	0.0	-67.88	414.81	6.02	-61.86
CC[N@H+]1CCC1C(=O)N1CCCC(C2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029496849	1	58	0.0	-67.94	415.13	6.02	-61.92
C[NH+](C)C(C)(C)C(=O)N1CCCC(C2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029496865	0	60	0.0	-69.61	404.49	5.49	-64.12
C[NH+](C)C1(C(=O)N2CCCC(C3CCCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029496893	0	58	0.0	-66.40	407.08	5.77	-60.63
CC(C[NH+](C)C)C(=O)N1CCCC(C2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029496916	0	60	0.0	-75.64	418.82	5.97	-69.67
CC1CC[N@@H+]1CC(=O)N1CCCC(C2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029496928	1	58	0.0	-65.89	409.11	5.71	-60.18
CC1CC[N@H+]1CC(=O)N1CCCC(C2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029496928	1	58	0.0	-65.85	409.48	5.88	-59.97
NC(=[NH2+])SCC(=O)N1CCCC(C2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029496954	0	52	0.0	-73.39	392.27	1.98	-71.41
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC(C2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029496987	0	58	0.0	-65.14	405.25	5.93	-59.21
C[N@H+]1CCC[C@H]1C(=O)N1CCCC(C2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029496987	1	58	0.0	-65.90	402.19	5.44	-60.46
C[N@@H+]1CCCC1C(=O)N1CCCCC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029497109	0	58	0.0	-59.28	405.58	5.71	-53.57
C[N@H+]1CCCC1C(=O)N1CCCCC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029497109	1	58	0.0	-68.43	405.36	5.72	-62.71
CCC(C(=O)N1CCCCC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029497199	0	60	0.0	-61.27	406.26	5.71	-55.56
CCC[N@H+](C)CC(=O)N1CCCCC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029497202	0	60	0.0	-63.19	418.82	6.26	-56.93
CCC[N@@H+](C)CC(=O)N1CCCCC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029497202	1	60	0.0	-63.24	422.86	6.35	-56.89
CC[N@H+](C)CCC(=O)N1CCCCC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029497219	0	60	0.0	-73.21	423.52	6.17	-67.04
CC[N@@H+](C)CCC(=O)N1CCCCC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029497219	1	60	0.0	-73.22	423.52	6.18	-67.04
CC[C@@H](C(=O)N1CCCCC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029497247	0	60	0.0	-58.61	403.73	5.73	-52.88
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029497289	0	58	0.0	-73.11	398.31	5.36	-67.75
C[N@H+]1CCC[C@@H]1C(=O)N1CCCCC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029497289	1	58	0.0	-66.50	408.13	5.87	-60.63
C[C@@H](C(=O)N1CCCCC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029497343	0	57	0.0	-62.87	398.81	5.27	-57.60
C[N@H+](CCO)CC(=O)N1CCCCC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029497355	1	58	0.0	-64.87	411.71	2.36	-62.51
C[N@@H+](CCO)CC(=O)N1CCCCC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029497355	1	58	0.0	-64.17	405.67	2.57	-61.60
CC1C[NH+](CC(=O)N2CCCCC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029497376	1	58	0.0	-64.18	414.24	6.02	-58.16
CC[N@H+](C)CC(=O)N1CCCCC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029497392	0	57	0.0	-63.06	397.32	5.52	-57.54
CC[N@@H+](C)CC(=O)N1CCCCC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029497392	1	57	0.0	-63.09	401.36	5.59	-57.50
CC(C[NH+](C)C)C(=O)N1CCCCC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029497423	0	60	0.0	-64.29	416.38	5.97	-58.32
C[C@H](C(=O)N1CCCCC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029497428	0	57	0.0	-60.34	393.60	5.11	-55.23
CC[N@@H+]1CCC1C(=O)N1CCCCC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029497431	1	58	0.0	-71.59	414.60	5.84	-65.75
CC[N@H+]1CCC1C(=O)N1CCCCC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029497431	1	58	0.0	-62.93	414.58	5.84	-57.09
NC1=CC=[NH+]C=C1C(=O)N1CCCCC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029497438	0	54	0.0	-68.13	395.56	2.84	-65.29
C[N@@H+]1CCC[C@H]1C(=O)N1CCCCC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029497502	0	58	0.0	-66.86	408.90	5.96	-60.90
C[N@H+]1CCC[C@H]1C(=O)N1CCCCC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029497502	1	58	0.0	-67.15	395.62	5.47	-61.68
C[N@H+](CC(=O)N1CCCCC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029497542	0	58	0.0	-68.45	412.69	6.30	-62.15
C[N@@H+](CC(=O)N1CCCCC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029497542	1	58	0.0	-59.39	405.35	6.25	-53.14
C[NH+]1CC(CC(=O)N2CCCCC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029497569	0	58	0.0	-72.44	414.87	5.77	-66.67
C[NH+](C)CC(=O)N1CCCCC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029497574	0	54	0.0	-72.04	383.43	4.90	-67.14
C[C@@H](C(=O)N1CCCCC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029497579	0	57	0.0	-62.87	398.81	5.27	-57.60
CC1CC[N@@H+]1CC(=O)N1CCCCC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029497586	1	58	0.0	-69.42	409.20	5.71	-63.71
CC1CC[N@H+]1CC(=O)N1CCCCC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029497586	1	58	0.0	-62.41	414.09	6.01	-56.40
C[NH+](C)CC=CC(=O)N1CCCCC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029497587	0	58	0.0	-76.03	419.36	6.15	-69.88
CC[NH+](CC)CC(=O)N1CCCCC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029497596	0	60	0.0	-62.59	419.25	6.27	-56.32
O=C(C[NH+]1CCC1)N1CCCCC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029497599	1	55	0.0	-72.10	393.72	5.38	-66.72
CC(C(=O)N1CCCCC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029497617	1	58	0.0	-61.84	410.47	5.79	-56.05
C[N@@H+]1CCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029497816	0	52	0.0	-72.31	382.00	4.34	-67.97
C[N@H+]1CCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029497816	1	52	0.0	-68.98	389.15	4.67	-64.31
C[N@@H+]1CCOC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029497840	1	53	0.0	-86.16	396.63	4.11	-82.05
C[N@H+]1CCOC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029497840	1	53	0.0	-77.43	382.80	4.06	-73.37
CC(C)[N@@H+]1CCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029497992	0	58	0.0	-75.93	408.53	6.17	-69.76
CC(C)[N@H+]1CCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029497992	1	58	0.0	-66.59	418.19	5.72	-60.87
CC1=[NH+]C=CN1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029498021	1	50	0.0	-69.81	392.06	5.46	-64.35
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)C1C[NH+]2CCC1CC2	REAL300029498047	0	56	0.0	-75.98	399.53	5.44	-70.54
C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)CC[N@@H+]1C	REAL300029498077	0	55	0.0	-74.09	395.74	4.56	-69.53
C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)CC[N@H+]1C	REAL300029498077	1	55	0.0	-73.66	405.74	5.16	-68.50
CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)CC[N@@H+]1C	REAL300029498079	0	58	0.0	-72.23	416.02	5.38	-66.85
CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)CC[N@H+]1C	REAL300029498079	1	58	0.0	-75.59	419.58	5.86	-69.73
CC[N@@H+]1CCOC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029498085	1	56	0.0	-70.06	406.40	4.56	-65.50
CC[N@H+]1CCOC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029498085	1	56	0.0	-77.36	414.28	4.74	-72.62
CC[NH+](CC)CC(F)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029498107	0	57	0.0	-72.49	422.44	5.63	-66.86
CC1CCC(C)[NH+]1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029498136	0	58	0.0	-67.57	416.13	5.51	-62.06
O=C(CCC[NH+]1CCCC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029498139	0	58	0.0	-71.04	428.21	6.10	-64.94
O=C(CC[NH+]1CCCCC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029498141	0	58	0.0	-71.72	423.11	6.05	-65.67
C[N@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)C1CCC1	REAL300029498179	0	55	0.0	-69.95	405.21	5.59	-64.36
C[N@@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)C1CCC1	REAL300029498179	1	55	0.0	-72.17	408.87	5.83	-66.34
C[N@@H+]1CCCC1CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029498251	0	58	0.0	-73.37	430.07	6.34	-67.03
C[N@H+]1CCCC1CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029498251	1	58	0.0	-70.99	424.78	5.63	-65.36
C[NH+]1CCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)CC1	REAL300029498268	0	55	0.0	-73.93	403.70	5.28	-68.65
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)C1=CN2C=[NH+]C=C2C=C1	REAL300029498353	0	50	0.0	-70.84	389.28	7.11	-63.73
O=C(CC[NH+]1CCOCC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029498360	1	56	0.0	-75.19	414.39	3.64	-71.55
CC1=C[NH+]=CN1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029498371	1	50	0.0	-71.16	387.82	5.92	-65.24
C[N@@H+]1CCC(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029498398	0	55	0.0	-72.29	404.44	5.01	-67.28
C[N@H+]1CCC(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029498398	1	55	0.0	-74.03	408.95	5.45	-68.58
CCC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)[NH+](C)C	REAL300029498405	0	54	0.0	-68.92	389.83	4.56	-64.36
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)C1=CC2=C[NH+]=CN2C=C1	REAL300029498425	1	50	0.0	-73.21	389.56	7.14	-66.07
C[NH+](C)CCCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029498454	0	57	0.0	-71.97	424.48	5.77	-66.20
CCC[N@H+](C)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029498467	0	57	0.0	-72.99	420.72	5.59	-67.40
CCC[N@@H+](C)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029498467	1	57	0.0	-72.87	420.71	5.59	-67.28
CCC[N@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029498470	0	54	0.0	-72.29	398.35	5.02	-67.27
CCC[N@@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029498470	1	54	0.0	-72.31	398.35	5.04	-67.27
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)C12CC[N@H+](C1)CCC2	REAL300029498482	0	56	0.0	-81.20	397.80	4.76	-76.44
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)C12CC[N@@H+](C1)CCC2	REAL300029498482	1	56	0.0	-75.22	393.99	4.99	-70.23
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029498505	0	52	0.0	-79.30	371.96	5.29	-74.01
C[N@H+]1CCC[C@@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029498505	1	52	0.0	-68.01	384.03	4.60	-63.41
CC[NH+](CC)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029498534	0	54	0.0	-69.99	395.21	4.97	-65.02
CC1CC[NH+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)CC1	REAL300029498585	0	58	0.0	-72.43	422.07	6.11	-66.32
C[NH+](C)CC1(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)CC1	REAL300029498602	0	55	0.0	-76.05	411.28	5.41	-70.64
C[NH+]1CCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)CC1	REAL300029498645	0	55	0.0	-73.93	403.70	5.28	-68.65
CCC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)[NH+](CC)CC	REAL300029498672	0	60	0.0	-66.15	421.74	5.66	-60.49
CC[N@H+](C)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029498710	0	54	0.0	-78.29	399.32	4.94	-73.35
CC[N@@H+](C)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029498710	1	54	0.0	-78.34	399.31	4.93	-73.41
CC1CCC[N@@H+]1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029498737	0	55	0.0	-69.10	404.53	5.44	-63.66
CC1CCC[N@H+]1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029498737	1	55	0.0	-75.42	404.22	5.33	-70.09
CC1CC[N@H+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029498739	0	55	0.0	-70.99	404.54	5.30	-65.69
CC1CC[N@@H+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029498739	1	55	0.0	-71.41	403.86	5.35	-66.06
CC1(C)CC[N@H+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029498742	0	58	0.0	-71.42	424.34	5.88	-65.54
CC1(C)CC[N@@H+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029498742	1	58	0.0	-71.35	423.77	5.89	-65.46
C[N@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)CC(C)(C)C	REAL300029498743	0	60	0.0	-71.87	426.95	6.03	-65.84
C[N@@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)CC(C)(C)C	REAL300029498743	1	60	0.0	-71.81	428.90	6.17	-65.64
CC[C@@H](C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)[NH+](C)C	REAL300029498750	0	54	0.0	-74.29	391.05	5.50	-68.79
C[NH+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029498839	0	48	0.0	-72.60	359.12	3.62	-68.98
O=C(C[NH+]1CCCCCC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029498842	0	58	0.0	-72.16	412.34	6.01	-66.15
CN1C=C[N+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)=C1	REAL300029498845	0	50	0.0	-68.90	390.35	7.13	-61.77
C[N@@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029498849	0	55	0.0	-76.52	403.53	5.27	-71.25
C[N@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029498849	1	55	0.0	-67.33	397.42	5.44	-61.89
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)C1CCC[N@@H+]1C1CC1	REAL300029498853	0	56	0.0	-69.81	411.53	5.63	-64.18
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)C1CCC[N@H+]1C1CC1	REAL300029498853	1	56	0.0	-75.62	397.80	5.97	-69.65
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)[NH+]1CCC1	REAL300029498866	1	52	0.0	-73.75	385.78	5.01	-68.74
CCC(CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)C[NH+](C)C	REAL300029498870	0	60	0.0	-75.55	434.05	6.23	-69.32
O=C(C[NH+]1CCC(O)CC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029498887	1	56	0.0	-75.79	411.93	2.14	-73.65
C[N@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)C1CC1	REAL300029498888	0	52	0.0	-69.25	388.38	5.02	-64.23
C[N@@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)C1CC1	REAL300029498888	1	52	0.0	-76.07	388.29	5.10	-70.97
C[NH+]1CC(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029498901	0	52	0.0	-72.29	390.57	4.45	-67.84
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029498911	0	58	0.0	-67.83	419.99	5.38	-62.45
CC(C)(C)[N@H+]1CCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029498911	1	58	0.0	-70.26	398.87	4.88	-65.38
C[C@@H](C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)[NH+](C)C	REAL300029498922	0	51	0.0	-69.73	376.64	4.06	-65.67
[NH2+]=C1SC=CN1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029498973	0	48	0.0	-67.07	386.19	3.79	-63.28
C[N@H+](CCO)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029498979	0	55	0.0	-71.85	409.57	1.63	-70.22
C[N@@H+](CCO)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029498979	1	55	0.0	-72.04	409.52	1.60	-70.44
C[C@@H](C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)[NH+](C)C	REAL300029498980	0	51	0.0	-69.73	376.64	4.06	-65.67
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029498984	0	55	0.0	-69.82	390.96	5.07	-64.75
C[N@H+]1CCCC[C@@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029498984	1	55	0.0	-68.42	399.56	4.92	-63.50
C[N@@H+]1CCC(=CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029499044	0	53	0.0	-73.62	397.41	5.20	-68.42
C[N@H+]1CCC(=CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029499044	1	53	0.0	-74.50	400.74	5.20	-69.30
C[NH+](C)CCOCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499064	0	55	0.0	-70.02	414.99	4.67	-65.35
C=CCC(C)(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)[NH+](C)C	REAL300029499077	0	58	0.0	-73.53	413.60	5.72	-67.81
C[S+](C)CCC(O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499081	0	54	0.0	-74.07	423.97	3.28	-70.79
CC1CN(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029499114	0	52	0.0	-72.13	389.50	4.75	-67.38
CC1C[NH+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029499114	1	52	0.0	-72.13	389.50	4.75	-67.38
CN(CCO)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499131	0	52	0.0	-72.69	387.20	1.04	-71.65
C[N@H+](CCO)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499131	1	52	0.0	-73.88	390.98	1.37	-72.51
C[N@@H+](CCO)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499131	1	52	0.0	-73.88	390.98	1.37	-72.51
CC[N@@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029499148	0	58	0.0	-70.53	425.22	5.94	-64.59
CC[N@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029499148	1	58	0.0	-70.53	425.22	5.94	-64.59
CC(CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)C[NH+](C)C	REAL300029499150	0	57	0.0	-74.79	416.23	5.60	-69.19
CC[N@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499154	0	51	0.0	-73.66	380.36	4.50	-69.16
CC[N@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)C1CC1	REAL300029499183	0	55	0.0	-69.20	405.16	5.64	-63.56
CC[NH+](CC)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499192	0	57	0.0	-71.57	412.71	5.27	-66.30
CC1(O)CCN(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029499226	0	56	0.0	-71.67	415.15	2.03	-69.64
CC1(O)CC[N@H+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029499226	1	56	0.0	-71.75	414.29	2.06	-69.69
CC1(O)CC[N@@H+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029499226	1	56	0.0	-71.75	414.29	2.06	-69.69
C[NH+](C)CC=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499229	0	52	0.0	-74.17	395.08	4.86	-69.31
CC(OCC[NH+](C)C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499235	0	58	0.0	-71.68	437.53	5.70	-65.98
C[NH+](C)CCOCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499241	0	58	0.0	-70.27	435.94	4.42	-65.85
COCCN(C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499242	0	55	0.0	-71.58	409.20	3.47	-68.11
COCC[N@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499242	1	55	0.0	-72.91	409.45	3.44	-69.47
COCC[N@@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499242	1	55	0.0	-72.91	409.45	3.44	-69.47
CC(CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)[NH+](C)C	REAL300029499259	0	57	0.0	-72.07	412.46	5.35	-66.72
CCN1CCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499265	0	52	0.0	-70.48	390.19	4.66	-65.82
CC[N@@H+]1CCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499265	1	52	0.0	-70.59	387.42	4.27	-66.32
CC[N@H+]1CCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499265	1	52	0.0	-70.59	387.42	4.27	-66.32
O=C(C[N@H+]1CCCC1CO)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499277	0	56	0.0	-71.42	408.00	1.73	-69.69
C=CCC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)[NH+](C)C	REAL300029499309	0	55	0.0	-69.41	405.73	5.29	-64.12
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499313	0	58	0.0	-69.25	418.25	5.36	-63.89
C[NH+](C)CCCCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499315	0	60	0.0	-71.26	445.98	6.53	-64.73
CCCC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)[NH+](C)C	REAL300029499335	0	57	0.0	-70.01	413.23	5.53	-64.48
C[N@@H+]1CCCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499358	0	55	0.0	-69.85	391.74	5.08	-64.77
C[N@H+]1CC=C(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)CC1	REAL300029499379	0	56	0.0	-68.80	416.73	5.64	-63.16
C[N@@H+]1CC=C(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)CC1	REAL300029499379	1	56	0.0	-68.80	416.73	5.64	-63.16
O=C(C=CC[NH+]1CCCC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499413	0	56	0.0	-73.05	421.42	6.05	-67.00
O=C(CC[NH+]1CCCC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499439	0	55	0.0	-71.74	407.45	5.35	-66.39
O=C(C[N@@H+]1CC2CCC1C2)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499470	0	56	0.0	-69.95	405.70	5.76	-64.19
CC(C[NH+](C)C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499530	0	54	0.0	-71.63	397.54	4.91	-66.72
C[N@@H+]1CCCCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499575	0	58	0.0	-72.81	418.38	5.84	-66.97
C[N@H+]1CCCCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499575	1	58	0.0	-72.81	418.38	5.84	-66.97
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)N1CC(C)C1	REAL300029499584	0	55	0.0	-73.97	405.55	5.67	-68.30
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)[NH+]1CC(C)C1	REAL300029499584	1	55	0.0	-73.97	405.55	5.67	-68.30
CC1CCN1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499586	0	52	0.0	-75.74	385.01	4.53	-71.21
CC1CC[N@@H+]1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499586	1	52	0.0	-75.78	385.02	4.51	-71.27
CC1CC[N@H+]1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499586	1	52	0.0	-75.78	385.02	4.51	-71.27
C[NH+](C)CC(O)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499588	0	55	0.0	-74.93	411.72	2.66	-72.27
CC1CN(C)CC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)O1	REAL300029499603	0	56	0.0	-78.37	411.00	4.81	-73.56
CC1C[N@H+](C)CC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)O1	REAL300029499603	1	56	0.0	-79.05	421.47	5.08	-73.97
CC1C[N@@H+](C)CC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)O1	REAL300029499603	1	56	0.0	-79.05	421.47	5.08	-73.97
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029499646	0	55	0.0	-69.92	407.88	5.38	-64.54
CC(CC[NH+](C)C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499652	0	57	0.0	-71.51	419.16	5.50	-66.01
CN1CCN(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)CC1	REAL300029499667	0	57	0.0	-70.75	417.94	3.19	-67.56
C[NH+]1CCN(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)CC1	REAL300029499667	1	57	0.0	-70.75	417.94	3.19	-67.56
NC(=[NH2+])SCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499689	0	46	0.0	-71.82	367.04	0.57	-71.25
C[N@@H+]1CC=CCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499713	0	56	0.0	-67.65	404.50	5.65	-62.00
C[N@H+]1CC=CCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499713	1	56	0.0	-67.65	404.50	5.65	-62.00
C[C@@H](OCC[NH+](C)C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499726	0	58	0.0	-72.73	432.74	5.64	-67.09
C[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499796	1	52	0.0	-71.38	379.13	4.17	-67.21
O=C(CC[N@@H+]1CCC(F)C1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499802	1	55	0.0	-82.98	413.30	5.47	-77.51
O=C(C[NH+]1CCCCC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499815	0	55	0.0	-78.12	400.33	5.56	-72.56
CC1C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)CC[N@@H+]1C	REAL300029499820	0	55	0.0	-73.63	400.46	5.15	-68.48
CC1C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)CC[N@H+]1C	REAL300029499820	1	55	0.0	-70.88	395.93	4.76	-66.12
C[N@@H+]1CCOCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499847	1	56	0.0	-74.59	402.43	3.37	-71.22
C[N@H+]1CCOCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499847	1	56	0.0	-76.36	409.75	3.45	-72.91
C[N@@H+]1CCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029500015	0	52	0.0	-70.74	380.32	4.51	-66.23
C[N@H+]1CCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029500015	1	52	0.0	-70.42	385.61	4.68	-65.74
O=C(CC[NH+]1CCOCC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029500193	1	56	0.0	-78.12	417.47	3.87	-74.25
O=C(NC1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C12CCCC2)C1=CC(=O)[N-]O1	REAL300029500206	1	50	0.0	-73.38	400.86	7.44	-65.94
C[N@@H+]1CCC(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029500234	0	55	0.0	-69.69	408.07	5.35	-64.34
C[N@H+]1CCC(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029500234	1	55	0.0	-75.35	408.04	5.44	-69.91
CCC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2)[NH+](C)C	REAL300029500241	0	54	0.0	-65.73	389.00	4.61	-61.12
C[NH+](C)CCCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029500276	0	57	0.0	-75.88	424.20	6.23	-69.65
CCC[N@H+](C)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029500291	0	57	0.0	-76.27	423.82	5.78	-70.49
CCC[N@@H+](C)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029500291	1	57	0.0	-70.30	423.65	5.73	-64.57
CCC[N@H+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029500294	0	54	0.0	-74.36	401.14	5.18	-69.18
CCC[N@@H+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029500294	1	54	0.0	-68.57	401.29	5.15	-63.42
O=C(NC1CCN(C(=O)C23CC[N@H+](C2)CCC3)C12CCCC2)C1=CC(=O)[N-]O1	REAL300029500306	0	56	0.0	-74.48	393.19	4.57	-69.91
O=C(NC1CCN(C(=O)C23CC[N@@H+](C2)CCC3)C12CCCC2)C1=CC(=O)[N-]O1	REAL300029500306	1	56	0.0	-83.16	391.07	4.80	-78.36
CC1CC[NH+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)CC1	REAL300029500336	0	58	0.0	-74.44	425.18	6.31	-68.13
C[NH+](C)CC1(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)CC1	REAL300029500367	0	55	0.0	-70.09	410.73	5.34	-64.75
CC[N@H+](C)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029500383	0	54	0.0	-69.20	405.94	4.98	-64.22
CC[N@@H+](C)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029500383	1	54	0.0	-69.52	402.16	4.99	-64.53
O=C(NC1CCN(C(=O)C2C[NH+]3CCC2CC3)C12CCCC2)C1=CC(=O)[N-]O1	REAL300029500400	0	56	0.0	-77.08	402.44	5.49	-71.59
C[NH+]1CCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)CC1	REAL300029500440	0	55	0.0	-78.64	402.09	5.17	-73.47
CC[NH+](CC)CC(F)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029500502	0	57	0.0	-69.09	419.72	5.42	-63.67
CCC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2)[NH+](CC)CC	REAL300029500535	0	60	0.0	-67.93	422.26	6.25	-61.68
CC1CCC[N@@H+]1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029500545	0	55	0.0	-64.88	411.19	5.51	-59.37
CC1CCC[N@H+]1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029500545	1	55	0.0	-70.52	400.56	5.14	-65.38
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029500587	0	58	0.0	-63.72	405.24	5.67	-58.05
CC(C)[N@H+]1CCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029500587	1	58	0.0	-64.13	414.86	5.53	-58.60
CC1CC[N@H+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029500607	0	55	0.0	-74.18	404.90	5.80	-68.38
CC1CC[N@@H+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029500607	1	55	0.0	-73.18	407.57	5.58	-67.60
CC1(C)CC[N@H+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029500610	0	58	0.0	-69.49	430.84	6.19	-63.30
CC1(C)CC[N@@H+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029500610	1	58	0.0	-72.91	426.64	6.10	-66.81
C[N@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2)CC(C)(C)C	REAL300029500611	0	60	0.0	-68.16	429.90	6.13	-62.03
C[N@@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2)CC(C)(C)C	REAL300029500611	1	60	0.0	-68.14	431.84	6.29	-61.85
CC[C@@H](C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2)[NH+](C)C	REAL300029500618	0	54	0.0	-72.30	390.66	5.11	-67.19
CC1=[NH+]C=CN1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029500729	1	50	0.0	-63.69	391.50	5.33	-58.36
CC[N@@H+]1CCOC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029500785	1	56	0.0	-76.18	412.61	4.56	-71.62
CC[N@H+]1CCOC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029500785	1	56	0.0	-75.04	413.35	4.52	-70.52
O=C(NC1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C12CCCC2)C1=CC(=O)[N-]O1	REAL300029500809	0	50	0.0	-70.46	400.78	7.41	-63.05
CC1=C[NH+]=CN1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029500812	1	50	0.0	-67.56	391.83	6.06	-61.50
C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)CC[N@@H+]1C	REAL300029500818	0	55	0.0	-70.33	402.72	5.01	-65.32
C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)CC[N@H+]1C	REAL300029500818	1	55	0.0	-68.61	399.93	4.87	-63.74
CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)CC[N@@H+]1C	REAL300029500820	0	58	0.0	-70.84	419.52	5.57	-65.27
CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)CC[N@H+]1C	REAL300029500820	1	58	0.0	-75.26	422.53	5.82	-69.44
CC1CCC(C)[NH+]1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029500826	0	58	0.0	-70.62	415.79	5.87	-64.75
O=C(CCC[NH+]1CCCC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029500829	0	58	0.0	-74.44	428.66	6.63	-67.81
O=C(CC[NH+]1CCCCC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029500832	0	58	0.0	-74.49	426.20	6.29	-68.20
C[N@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2)C1CCC1	REAL300029500914	0	55	0.0	-68.07	411.69	5.94	-62.13
C[N@@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2)C1CCC1	REAL300029500914	1	55	0.0	-66.67	408.30	5.71	-60.96
C[NH+]1CCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)CC1	REAL300029500943	0	55	0.0	-78.64	402.09	5.17	-73.47
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029500967	0	52	0.0	-67.87	379.80	4.26	-63.61
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029500967	1	52	0.0	-71.03	381.05	4.94	-66.09
C[N@@H+]1CCCC1CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029500986	0	58	0.0	-72.92	423.18	5.79	-67.13
C[N@H+]1CCCC1CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029500986	1	58	0.0	-73.46	419.98	5.72	-67.74
CC1C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)CC[N@@H+]1C	REAL300029501094	0	55	0.0	-74.30	400.64	4.81	-69.49
CC1C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)CC[N@H+]1C	REAL300029501094	1	55	0.0	-70.84	407.99	4.93	-65.91
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029501138	0	58	0.0	-64.54	422.04	5.40	-59.14
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029501138	1	58	0.0	-70.81	420.34	5.73	-65.08
C[C@@H](C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2)[NH+](C)C	REAL300029501152	0	51	0.0	-72.42	378.70	4.14	-68.28
C=CCC(C)(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2)[NH+](C)C	REAL300029501166	0	58	0.0	-73.29	401.96	5.34	-67.95
O=C(CC[NH+]1CCCC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029501183	0	55	0.0	-75.66	408.63	5.41	-70.25
C[N@H+](CCO)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029501192	1	52	0.0	-74.87	389.98	1.20	-73.67
C[N@@H+](CCO)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029501192	1	52	0.0	-71.06	393.95	1.49	-69.57
C[N@H+]1CC=C(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)CC1	REAL300029501243	0	56	0.0	-67.29	424.92	6.07	-61.22
C[N@@H+]1CC=C(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)CC1	REAL300029501243	1	56	0.0	-65.92	418.39	5.96	-59.96
C[S+](C)CCC(O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029501251	0	54	0.0	-68.42	422.57	3.00	-65.42
CC1C[NH+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029501291	1	52	0.0	-74.32	392.28	4.99	-69.33
CC[N@@H+]1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029501295	0	58	0.0	-65.91	414.60	6.16	-59.75
CC[N@H+]1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029501295	1	58	0.0	-66.78	422.74	5.92	-60.86
NC1=[NH+]C=CC=C1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029501299	0	51	0.0	-63.55	396.32	3.55	-60.00
O=C(NC1CCN(C(=O)C2CCC[N@@H+]2C2CC2)C12CCCC2)C1=CC(=O)[N-]O1	REAL300029501305	0	56	0.0	-66.73	412.84	5.68	-61.05
O=C(NC1CCN(C(=O)C2CCC[N@H+]2C2CC2)C12CCCC2)C1=CC(=O)[N-]O1	REAL300029501305	1	56	0.0	-72.36	412.86	5.75	-66.61
O=C(C=CC[NH+]1CCCC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029501331	0	56	0.0	-77.02	420.20	6.48	-70.54
CC[N@H+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029501366	0	51	0.0	-68.21	379.79	4.41	-63.80
O=C(CN1CC2C=CC1C2)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029501396	0	54	0.0	-69.65	401.25	5.69	-63.96
O=C(C[N@@H+]1CC2C=CC1C2)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029501396	1	54	0.0	-68.11	404.82	5.93	-62.18
O=C(C[N@H+]1CC2C=CC1C2)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029501396	1	54	0.0	-68.11	404.82	5.93	-62.18
CC(OCC[NH+](C)C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029501473	0	58	0.0	-64.03	434.11	5.19	-58.84
C[NH+](C)CCOCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029501480	0	58	0.0	-73.57	435.66	4.89	-68.68
COCCN(C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029501482	0	55	0.0	-74.35	411.22	3.57	-70.78
COCC[N@H+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029501482	1	55	0.0	-70.47	415.94	3.80	-66.67
COCC[N@@H+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029501482	1	55	0.0	-70.47	415.94	3.80	-66.67
CC(CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2)[NH+](C)C	REAL300029501485	0	57	0.0	-73.57	416.07	5.84	-67.73
CC[N@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2)C1CC1	REAL300029501500	0	55	0.0	-65.45	408.84	5.78	-59.67
O=C(C[N@@H+]1CC2CCC1C2)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029501530	0	56	0.0	-67.67	412.10	6.05	-61.62
O=C(C[N@H+]1CC2CCC1C2)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029501530	1	56	0.0	-67.67	412.10	6.05	-61.62
CC(C[NH+](C)C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029501544	0	54	0.0	-76.27	400.00	4.89	-71.38
CCN1CCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029501574	0	52	0.0	-65.61	381.94	4.32	-61.29
CC[N@@H+]1CCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029501574	1	52	0.0	-66.85	393.10	4.70	-62.15
CC[N@H+]1CCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029501574	1	52	0.0	-66.85	393.10	4.70	-62.15
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029501583	0	60	0.0	-72.54	422.46	4.16	-68.38
CNC1=NC(C)=CC=C1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029501608	0	54	0.0	-67.14	409.72	4.64	-62.50
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029501608	1	54	0.0	-67.14	409.72	4.64	-62.50
CCCC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2)[NH+](C)C	REAL300029501617	0	57	0.0	-68.18	414.68	5.59	-62.59
CC(CC[NH+](C)C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029501634	0	57	0.0	-75.81	421.63	5.49	-70.32
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029501690	0	58	0.0	-64.36	423.43	5.79	-58.57
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029501690	1	58	0.0	-64.36	423.43	5.79	-58.57
C[NH+](C)CCCCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029501692	0	60	0.0	-74.59	445.70	7.01	-67.58
CN1CCN(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)CC1	REAL300029501699	0	57	0.0	-67.06	420.50	3.26	-63.80
C[NH+]1CCN(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)CC1	REAL300029501699	1	57	0.0	-67.06	420.50	3.26	-63.80
CC1CN(C)CC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)O1	REAL300029501747	0	56	0.0	-84.32	409.48	4.74	-79.58
CC1C[N@H+](C)CC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)O1	REAL300029501747	1	56	0.0	-84.80	407.69	4.84	-79.96
CC1C[N@@H+](C)CC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)O1	REAL300029501747	1	56	0.0	-84.80	407.69	4.84	-79.96
C[N@@H+]1CCCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029501798	0	55	0.0	-65.87	393.75	5.05	-60.82
C[N@@H+]1CCC(=CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029501858	0	53	0.0	-76.16	400.11	5.36	-70.80
C[N@H+]1CCC(=CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029501858	1	53	0.0	-76.45	399.19	5.35	-71.10
O=C(CNC1=CC=[NH+]C=C1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029501861	0	51	0.0	-66.98	397.78	2.99	-63.99
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029501927	0	52	0.0	-66.00	386.97	4.79	-61.21
C[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029501927	1	52	0.0	-68.04	378.00	4.13	-63.91
NC1=CC=C(CCC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)C=[NH+]1	REAL300029501965	0	54	0.0	-65.92	421.08	4.28	-61.64
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029502009	0	55	0.0	-69.91	414.97	5.46	-64.45
C[N@@H+]1CC=CCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029502017	0	56	0.0	-70.99	412.80	5.86	-65.13
C[N@H+]1CC=CCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029502017	1	56	0.0	-65.39	411.76	5.98	-59.41
C[NH+](C)CCOCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029502052	0	55	0.0	-72.89	414.55	5.02	-67.87
[NH2+]=C1SC=CN1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029502073	0	48	0.0	-62.88	389.14	3.90	-58.98
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029502107	0	58	0.0	-66.96	432.63	5.16	-61.80
C[N@@H+]1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029502130	0	55	0.0	-63.37	399.66	5.48	-57.89
C[N@H+]1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029502130	1	55	0.0	-63.37	399.66	5.48	-57.89
O=C(C[NH+]1CCCCCC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029502131	0	58	0.0	-74.15	409.80	6.12	-68.03
CN1C=C[N+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)=C1	REAL300029502135	0	50	0.0	-70.61	393.42	7.34	-63.27
O=C(CN1CCC(O)CC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029502154	0	56	0.0	-77.74	415.01	2.33	-75.41
O=C(C[NH+]1CCC(O)CC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029502154	1	56	0.0	-77.74	415.01	2.33	-75.41
C[N@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2)C1CC1	REAL300029502156	0	52	0.0	-71.21	391.61	5.23	-65.98
O=C(CC[N@H+]1CCC(F)C1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029502159	0	55	0.0	-81.16	413.17	5.51	-75.65
CC(CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2)C[NH+](C)C	REAL300029502178	0	57	0.0	-75.37	419.08	5.81	-69.56
CN1CCOCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029502197	0	56	0.0	-76.78	416.78	3.90	-72.88
C[N@@H+]1CCOCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029502197	1	56	0.0	-72.98	411.55	3.59	-69.39
C[N@H+]1CCOCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029502197	1	56	0.0	-72.98	411.55	3.59	-69.39
CC1=CC(N)=NC=C1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029502226	0	51	0.0	-75.18	388.28	3.26	-71.92
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029502226	1	51	0.0	-75.18	388.28	3.26	-71.92
CC1(O)CC[N@H+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029502252	0	56	0.0	-74.09	418.59	2.23	-71.86
C[NH+]1CC(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029502278	0	52	0.0	-75.11	390.28	4.92	-70.19
C[N@H+](CCO)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029502307	0	55	0.0	-69.35	412.48	1.77	-67.58
C[N@@H+](CCO)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029502307	1	55	0.0	-69.35	412.48	1.77	-67.58
C[N@@H+]1CCCCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029502321	0	58	0.0	-64.87	417.31	6.04	-58.83
C[N@H+]1CCCCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029502321	1	58	0.0	-64.87	417.31	6.04	-58.83
CC1CCN1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029502335	0	52	0.0	-72.31	385.49	4.81	-67.50
CC1CC[N@@H+]1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029502335	1	52	0.0	-67.23	390.66	4.73	-62.50
CC1CC[N@H+]1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029502335	1	52	0.0	-67.23	390.66	4.73	-62.50
C[NH+](C)CC=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029502340	0	52	0.0	-78.08	393.85	5.27	-72.81
CC1(C)CN(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029502345	0	55	0.0	-74.37	412.30	5.33	-69.04
CC1(C)C[NH+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)C1	REAL300029502345	1	55	0.0	-74.37	412.30	5.33	-69.04
C[NH+](C)CCSCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029502365	0	55	0.0	-78.83	425.73	6.04	-72.79
O=C(C[N@H+]1CCCC1CO)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029502382	0	56	0.0	-64.45	407.92	2.31	-62.14
CC[NH+](CC)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029502386	0	54	0.0	-72.86	394.89	5.43	-67.43
O=C(CN1CCC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029502395	0	49	0.0	-74.79	370.81	4.51	-70.28
O=C(C[NH+]1CCC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029502395	1	49	0.0	-74.79	370.81	4.51	-70.28
CC[NH+](CC)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029502420	0	57	0.0	-75.58	412.53	5.77	-69.81
CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2)N1CCC1	REAL300029502464	0	52	0.0	-71.47	385.56	4.56	-66.91
CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2)[NH+]1CCC1	REAL300029502464	1	52	0.0	-71.47	385.56	4.56	-66.91
CCC(CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2)C[NH+](C)C	REAL300029502469	0	60	0.0	-68.81	434.48	6.73	-62.08
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029502501	0	55	0.0	-63.28	401.79	5.25	-58.03
C[NH+](C)CC(O)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029502522	0	55	0.0	-78.88	411.37	3.00	-75.88
C=CCC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2)[NH+](C)C	REAL300029502544	0	55	0.0	-65.00	403.83	5.14	-59.86
C[NH+](C)CCSCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029502609	0	55	0.0	-74.45	426.01	5.55	-68.90
C[N@@H+]1CCCC1C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029502769	0	52	0.0	-68.88	391.40	4.37	-64.51
CN1CCOC(C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029502793	0	53	0.0	-82.85	404.40	3.77	-79.08
C[N@@H+]1CCOC(C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029502793	1	53	0.0	-80.92	391.82	3.80	-77.12
C[N@H+]1CCOC(C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029502793	1	53	0.0	-80.92	391.82	3.80	-77.12
CC(C)[N@@H+]1CCCC1C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029502945	0	58	0.0	-70.19	417.80	5.40	-64.79
CC(C)[N@H+]1CCCC1C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029502945	1	58	0.0	-69.35	425.90	5.45	-63.90
CC1=[NH+]C=CN1CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029502974	1	50	0.0	-65.38	396.45	4.91	-60.47
O=C(NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1C[NH+]2CCC1CC2	REAL300029503000	0	56	0.0	-70.02	398.46	5.17	-64.85
C[C@@H]1[C@H](C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029503030	0	55	0.0	-68.65	393.05	4.45	-64.20
C[C@@H]1[C@H](C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029503030	1	55	0.0	-76.22	407.85	4.48	-71.74
CC[C@@H]1[C@@H](C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029503032	0	58	0.0	-74.83	423.98	4.99	-69.84
CC[C@@H]1[C@@H](C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029503032	1	58	0.0	-57.14	423.69	5.63	-51.51
CC[N@@H+]1CCOC(C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029503038	1	56	0.0	-73.23	411.59	4.57	-68.66
CC[N@H+]1CCOC(C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029503038	1	56	0.0	-74.01	415.10	4.25	-69.76
CC[NH+](CC)CC(F)C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029503060	0	57	0.0	-72.90	428.94	5.22	-67.68
CC1CCC(C)[NH+]1CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029503089	0	58	0.0	-64.01	424.01	5.18	-58.83
O=C(CCC[NH+]1CCCC1)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029503092	0	58	0.0	-68.41	435.24	5.72	-62.69
O=C(CC[NH+]1CCCCC1)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029503094	0	58	0.0	-68.47	431.03	5.71	-62.76
C[N@H+](CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300029503132	0	55	0.0	-66.50	413.12	5.27	-61.23
C[N@@H+](CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300029503132	1	55	0.0	-69.33	411.33	5.31	-64.02
C[N@@H+]1CCCC1CCC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029503204	0	58	0.0	-68.32	434.42	5.79	-62.53
C[N@H+]1CCCC1CCC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029503204	1	58	0.0	-59.28	427.35	6.05	-53.23
C[NH+]1CCC(C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029503221	0	55	0.0	-69.65	411.60	4.96	-64.69
O=C(NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN2C=[NH+]C=C2C=C1	REAL300029503306	0	50	0.0	-70.16	391.73	7.04	-63.12
O=C(CC[NH+]1CCOCC1)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029503313	1	56	0.0	-75.26	420.39	3.32	-71.94
CC1=C[NH+]=CN1CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029503324	1	50	0.0	-67.13	396.80	5.65	-61.48
C[N@@H+]1CCC(CC(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029503351	0	55	0.0	-74.15	413.79	4.88	-69.27
C[N@H+]1CCC(CC(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029503351	1	55	0.0	-71.90	407.40	5.12	-66.78
CCC(C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029503358	0	54	0.0	-71.73	397.43	4.35	-67.38
O=C(NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC2=C[NH+]=CN2C=C1	REAL300029503378	1	50	0.0	-72.03	396.30	7.25	-64.78
C[NH+](C)CCCCC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029503407	0	57	0.0	-70.13	432.39	5.44	-64.69
CCC[N@H+](C)CCC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029503420	0	57	0.0	-69.60	428.62	5.24	-64.36
CCC[N@@H+](C)CCC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029503420	1	57	0.0	-69.81	428.62	5.25	-64.56
CCC[N@H+](C)CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029503423	0	54	0.0	-71.60	404.34	4.73	-66.87
CCC[N@@H+](C)CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029503423	1	54	0.0	-68.29	406.25	4.69	-63.60
O=C(NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C12CC[N@H+](C1)CCC2	REAL300029503435	0	56	0.0	-81.48	402.86	4.74	-76.74
O=C(NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C12CC[N@@H+](C1)CCC2	REAL300029503435	1	56	0.0	-66.04	407.35	4.95	-61.09
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029503458	0	52	0.0	-52.97	381.29	4.51	-48.46
C[N@H+]1CCC[C@@H]1C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029503458	1	52	0.0	-49.00	393.50	4.63	-44.37
CC[NH+](CC)CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029503487	0	54	0.0	-63.22	401.52	5.06	-58.16
CC1CC[NH+](CC(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029503538	0	58	0.0	-65.76	428.73	6.22	-59.54
C[NH+](C)CC1(C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029503555	0	55	0.0	-79.19	414.40	5.39	-73.80
C[NH+]1CCC(C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029503598	0	55	0.0	-69.65	411.60	4.96	-64.69
CCC(C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](CC)CC	REAL300029503625	0	60	0.0	-67.81	433.28	5.70	-62.11
CC[N@H+](C)CCC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029503663	0	54	0.0	-66.91	405.97	4.94	-61.97
CC[N@@H+](C)CCC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029503663	1	54	0.0	-69.10	407.12	4.51	-64.59
CC1CCC[N@@H+]1CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029503690	0	55	0.0	-57.24	402.25	5.08	-52.16
CC1CCC[N@H+]1CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029503690	1	55	0.0	-62.33	403.15	4.94	-57.39
CC1CC[N@H+](CC(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029503692	0	55	0.0	-53.50	412.34	5.25	-48.25
CC1CC[N@@H+](CC(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029503692	1	55	0.0	-73.84	412.47	5.08	-68.76
CC1(C)CC[N@H+](CC(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029503695	0	58	0.0	-58.91	429.01	5.95	-52.96
CC1(C)CC[N@@H+](CC(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029503695	1	58	0.0	-67.37	432.69	5.55	-61.82
C[N@H+](CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300029503696	0	60	0.0	-68.06	434.84	5.70	-62.36
C[N@@H+](CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300029503696	1	60	0.0	-70.77	435.24	5.89	-64.88
CC[C@@H](C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029503703	0	54	0.0	-67.39	395.34	4.34	-63.05
C[NH+](C)CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029503792	0	48	0.0	-65.79	365.88	3.74	-62.05
O=C(C[NH+]1CCCCCC1)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029503795	0	58	0.0	-63.80	416.94	5.79	-58.01
CN1C=C[N+](CC(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029503798	0	50	0.0	-70.03	396.34	6.83	-63.20
C[N@@H+]1CCCC(C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029503802	0	55	0.0	-69.82	405.07	5.10	-64.72
C[N@H+]1CCCC(C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029503802	1	55	0.0	-51.18	405.65	5.47	-45.71
O=C(NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@@H+]1C1CC1	REAL300029503806	0	56	0.0	-62.62	423.79	5.70	-56.92
O=C(NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@H+]1C1CC1	REAL300029503806	1	56	0.0	-56.59	413.98	6.00	-50.59
CC(C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300029503819	1	52	0.0	-68.24	393.30	4.38	-63.86
CCC(CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300029503823	0	60	0.0	-72.97	440.97	6.33	-66.64
O=C(C[NH+]1CCC(O)CC1)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029503840	1	56	0.0	-71.85	420.23	1.82	-70.03
C[N@H+](CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029503841	0	52	0.0	-65.72	396.29	4.69	-61.03
C[N@@H+](CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029503841	1	52	0.0	-65.57	396.30	4.70	-60.87
C[NH+]1CC(CC(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029503854	0	52	0.0	-71.01	396.56	4.15	-66.86
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029503864	0	58	0.0	-55.78	425.63	5.43	-50.35
CC(C)(C)[N@H+]1CCC1C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029503864	1	58	0.0	-70.80	429.04	5.06	-65.74
C[C@@H](C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029503875	0	51	0.0	-68.61	383.21	3.71	-64.90
[NH2+]=C1SC=CN1CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029503926	0	48	0.0	-64.85	394.09	3.47	-61.38
C[N@H+](CCO)CCC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029503932	0	55	0.0	-69.34	417.47	1.29	-68.05
C[N@@H+](CCO)CCC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029503932	1	55	0.0	-67.09	416.28	1.73	-65.36
C[C@@H](C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029503933	0	51	0.0	-68.61	383.21	3.71	-64.90
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029503937	0	55	0.0	-69.41	391.11	4.77	-64.64
C[N@H+]1CCCC[C@@H]1C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029503937	1	55	0.0	-68.73	402.85	5.11	-63.62
C[N@@H+]1CCC(=CC(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029503997	0	53	0.0	-57.79	405.20	5.19	-52.60
C[N@H+]1CCC(=CC(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029503997	1	53	0.0	-76.34	405.95	4.88	-71.46
C[NH+](C)CCOCC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504017	0	55	0.0	-64.44	421.75	4.77	-59.67
C=CCC(C)(C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029504030	0	58	0.0	-75.17	418.77	5.15	-70.02
C[S+](C)CCC(O)C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504034	0	54	0.0	-75.42	431.87	2.99	-72.43
CC1CN(CC(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029504067	0	52	0.0	-59.34	394.95	4.86	-54.48
CC1C[NH+](CC(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029504067	1	52	0.0	-59.34	394.95	4.86	-54.48
CN(CCO)CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504084	0	52	0.0	-68.48	395.10	0.72	-67.76
C[N@H+](CCO)CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504084	1	52	0.0	-68.35	394.86	0.74	-67.61
C[N@@H+](CCO)CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504084	1	52	0.0	-68.35	394.86	0.74	-67.61
CC[N@@H+]1CCCC(C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029504101	0	58	0.0	-55.99	419.64	6.19	-49.80
CC[N@H+]1CCCC(C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029504101	1	58	0.0	-55.99	419.64	6.19	-49.80
CC(CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300029504103	0	57	0.0	-68.61	423.20	5.73	-62.88
CC[N@H+](C)CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504107	0	51	0.0	-67.89	384.74	3.96	-63.93
CC[N@H+](CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029504136	0	55	0.0	-65.56	413.40	5.32	-60.24
CC[NH+](CC)CCC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504145	0	57	0.0	-65.71	419.40	5.31	-60.40
CC1(O)CC[N@H+](CC(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029504179	0	56	0.0	-75.24	423.60	1.75	-73.49
C[NH+](C)CC=CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504182	0	52	0.0	-77.21	404.25	4.59	-72.62
CC(OCC[NH+](C)C)C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504188	0	58	0.0	-68.71	441.88	5.09	-63.62
C[NH+](C)CCOCCC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504194	0	58	0.0	-68.91	442.71	4.52	-64.39
COCCN(C)CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504195	0	55	0.0	-72.13	415.22	3.15	-68.98
COCC[N@H+](C)CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504195	1	55	0.0	-68.51	417.35	3.13	-65.38
COCC[N@@H+](C)CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504195	1	55	0.0	-68.51	417.35	3.13	-65.38
CC(CCC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029504212	0	57	0.0	-70.82	419.43	5.47	-65.35
CCN1CCC1C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504218	0	52	0.0	-63.99	386.58	4.19	-59.80
CC[N@@H+]1CCC1C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504218	1	52	0.0	-67.87	391.19	4.47	-63.40
CC[N@H+]1CCC1C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504218	1	52	0.0	-67.87	391.19	4.47	-63.40
O=C(C[N@H+]1CCCC1CO)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504230	0	56	0.0	-71.16	414.86	1.36	-69.80
C=CCC(C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029504262	0	55	0.0	-71.15	410.69	4.82	-66.33
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504266	0	58	0.0	-73.78	427.02	5.03	-68.75
C[NH+](C)CCCCCC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504268	0	60	0.0	-70.00	453.89	6.22	-63.78
CCCC(C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029504288	0	57	0.0	-72.84	418.93	5.11	-67.73
C[N@@H+]1CCCCC1C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504311	0	55	0.0	-51.18	406.24	5.29	-45.89
C[N@H+]1CC=C(CC(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029504332	0	56	0.0	-62.49	420.65	5.84	-56.65
C[N@@H+]1CC=C(CC(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029504332	1	56	0.0	-62.49	420.65	5.84	-56.65
O=C(C=CC[NH+]1CCCC1)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504366	0	56	0.0	-69.68	427.58	5.58	-64.10
O=C(CC[NH+]1CCCC1)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504392	0	55	0.0	-68.48	415.36	5.02	-63.46
O=C(C[N@@H+]1CC2CCC1C2)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504423	0	56	0.0	-66.01	407.99	5.63	-60.38
CC(C[NH+](C)C)C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504483	0	54	0.0	-68.68	405.49	4.57	-64.11
C[N@@H+]1CCCCC1CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504528	0	58	0.0	-69.11	424.00	5.78	-63.33
C[N@H+]1CCCCC1CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504528	1	58	0.0	-69.11	424.00	5.78	-63.33
CC(C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)N1CC(C)C1	REAL300029504537	0	55	0.0	-55.67	415.40	5.32	-50.35
CC(C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CC(C)C1	REAL300029504537	1	55	0.0	-55.67	415.40	5.32	-50.35
CC1CCN1CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504539	0	52	0.0	-67.04	398.34	4.38	-62.66
CC1CC[N@@H+]1CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504539	1	52	0.0	-65.04	397.21	4.81	-60.23
CC1CC[N@H+]1CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504539	1	52	0.0	-65.04	397.21	4.81	-60.23
C[NH+](C)CC(O)CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504541	0	55	0.0	-70.50	418.50	2.75	-67.75
CC1CN(C)CC(C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029504556	0	56	0.0	-80.38	417.37	4.47	-75.91
CC1C[N@H+](C)CC(C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029504556	1	56	0.0	-70.32	422.10	4.82	-65.50
CC1C[N@@H+](C)CC(C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029504556	1	56	0.0	-70.32	422.10	4.82	-65.50
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029504599	0	55	0.0	-72.85	411.11	5.26	-67.59
CC(CC[NH+](C)C)C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504605	0	57	0.0	-69.24	427.06	5.19	-64.05
CN1CCN(CC(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029504620	0	57	0.0	-70.53	424.11	2.83	-67.70
C[NH+]1CCN(CC(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029504620	1	57	0.0	-70.53	424.11	2.83	-67.70
NC(=[NH2+])SCC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504642	0	46	0.0	-67.51	373.80	0.68	-66.83
C[N@@H+]1CC=CCC1CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504666	0	56	0.0	-64.13	413.23	5.30	-58.83
C[N@H+]1CC=CCC1CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504666	1	56	0.0	-64.13	413.23	5.30	-58.83
C[C@@H](OCC[NH+](C)C)C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504679	0	58	0.0	-71.42	440.76	5.05	-66.37
C[N@H+]1CCC[C@H]1C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504749	1	52	0.0	-75.73	377.61	4.70	-71.03
O=C(CC[N@@H+]1CCC(F)C1)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504755	1	55	0.0	-79.32	421.11	5.08	-74.24
O=C(C[NH+]1CCCCC1)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504768	0	55	0.0	-67.59	409.14	5.17	-62.42
CC1C(C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029504773	0	55	0.0	-75.87	403.57	4.47	-71.40
CC1C(C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029504773	1	55	0.0	-65.80	401.19	4.92	-60.88
CN1CCOCC1CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504800	0	56	0.0	-65.67	407.14	3.22	-62.45
C[N@@H+]1CCOCC1CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504800	1	56	0.0	-56.87	404.73	3.20	-53.67
C[N@H+]1CCOCC1CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504800	1	56	0.0	-65.67	407.14	3.22	-62.45
C[N@@H+]1CCCC1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029504968	0	52	0.0	-52.24	389.26	4.41	-47.83
C[N@H+]1CCCC1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029504968	1	52	0.0	-52.32	391.60	4.58	-47.74
C[N@@H+]1CCOC(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029504994	1	53	0.0	-90.59	399.93	3.97	-86.62
C[N@H+]1CCOC(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029504994	1	53	0.0	-49.93	390.34	3.73	-46.20
O=C(CC[NH+]1CCOCC1)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029505147	1	56	0.0	-74.76	425.19	3.48	-71.28
O=C(NC1CCCC12CCN(C(=O)C13CCC[NH+]1CCC3)C2)C1=CC(=O)[N-]O1	REAL300029505159	0	56	0.0	-56.19	402.32	5.05	-51.14
O=C(NC1CCCC12CCN(C(=O)C1=CC3=C[NH+]=CN3C=C1)C2)C1=CC(=O)[N-]O1	REAL300029505165	1	50	0.0	-74.89	404.71	6.85	-68.04
C[N@@H+]1CCC(CC(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029505196	0	55	0.0	-62.97	410.72	5.26	-57.71
C[N@H+]1CCC(CC(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029505196	1	55	0.0	-65.65	412.95	5.44	-60.21
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029505202	0	54	0.0	-75.44	419.99	3.26	-72.18
CCC(C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029505204	0	54	0.0	-68.12	400.97	4.46	-63.66
C[NH+](C)CCCCC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029505242	0	57	0.0	-73.67	435.29	5.61	-68.06
CC(C)C(C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029505258	0	57	0.0	-67.52	413.07	5.16	-62.36
CCC[N@H+](C)CCC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029505259	0	57	0.0	-72.82	431.53	5.42	-67.40
CCC[N@@H+](C)CCC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029505259	1	57	0.0	-72.93	431.52	5.41	-67.52
CCC[N@H+](C)CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029505263	0	54	0.0	-70.12	409.22	4.87	-65.25
CCC[N@@H+](C)CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029505263	1	54	0.0	-69.96	409.21	4.87	-65.09
O=C(NC1CCCC12CCN(C(=O)C13CC[N@H+](C1)CCC3)C2)C1=CC(=O)[N-]O1	REAL300029505278	0	56	0.0	-67.57	401.01	4.22	-63.35
O=C(NC1CCCC12CCN(C(=O)C13CC[N@@H+](C1)CCC3)C2)C1=CC(=O)[N-]O1	REAL300029505278	1	56	0.0	-77.71	400.72	4.65	-73.06
CC1CC[NH+](CC(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029505311	0	58	0.0	-70.18	432.85	5.92	-64.26
C[NH+](C)CC1(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029505352	0	55	0.0	-50.58	414.53	5.25	-45.33
CC[N@H+](C)CCC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029505371	0	54	0.0	-55.49	407.27	4.96	-50.53
CC[N@@H+](C)CCC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029505371	1	54	0.0	-72.26	410.03	4.67	-67.59
O=C(NC1CCCC12CCN(C(=O)C1C[NH+]3CCC1CC3)C2)C1=CC(=O)[N-]O1	REAL300029505389	0	56	0.0	-67.80	401.25	5.17	-62.63
C[NH+]1CCC(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029505438	0	55	0.0	-73.04	413.45	4.98	-68.06
CC(C)[C@H](C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029505454	0	57	0.0	-54.71	413.47	5.40	-49.31
CC[NH+](CC)CC(F)C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029505514	0	57	0.0	-72.39	427.28	5.12	-67.27
C[NH+](C)C1(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300029505535	0	55	0.0	-76.81	396.72	4.35	-72.46
CCC(C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029505563	0	60	0.0	-64.93	431.50	5.53	-59.40
CC1CCC[N@@H+]1CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029505574	0	55	0.0	-65.26	414.00	5.62	-59.64
CC1CCC[N@H+]1CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029505574	1	55	0.0	-67.32	415.37	5.26	-62.06
CC(C)[N@@H+]1CCCC1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029505620	0	58	0.0	-64.73	426.26	5.81	-58.92
CC(C)[N@H+]1CCCC1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029505620	1	58	0.0	-64.90	418.85	5.85	-59.05
CC(C)[C@@H](C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029505629	0	57	0.0	-64.64	410.06	5.32	-59.32
CC1CC[N@H+](CC(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029505643	0	55	0.0	-68.53	414.23	5.15	-63.38
CC1CC[N@@H+](CC(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029505643	1	55	0.0	-56.36	411.99	5.55	-50.81
CC1(C)CC[N@H+](CC(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029505647	0	58	0.0	-51.06	432.20	5.96	-45.10
CC1(C)CC[N@@H+](CC(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029505647	1	58	0.0	-70.18	434.87	5.67	-64.51
C[N@H+](CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029505648	0	60	0.0	-69.99	437.81	5.88	-64.11
C[N@@H+](CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029505648	1	60	0.0	-69.42	439.76	6.02	-63.40
CC[C@@H](C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029505656	0	54	0.0	-60.89	396.62	4.92	-55.97
CC1=[NH+]C=CN1CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029505777	1	50	0.0	-67.58	399.40	5.07	-62.51
CC[N@@H+]1CCOC(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029505841	1	56	0.0	-69.24	412.87	4.47	-64.77
CC[N@H+]1CCOC(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029505841	1	56	0.0	-56.90	412.84	4.17	-52.73
O=C(NC1CCCC12CCN(C(=O)C1=CN3C=[NH+]C=C3C=C1)C2)C1=CC(=O)[N-]O1	REAL300029505871	0	50	0.0	-71.74	404.60	6.80	-64.94
CC1=C[NH+]=CN1CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029505874	1	50	0.0	-68.84	399.75	5.80	-63.04
C[C@@H]1[C@H](C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029505881	0	55	0.0	-78.59	405.63	4.37	-74.22
C[C@@H]1[C@H](C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029505881	1	55	0.0	-71.04	410.53	4.64	-66.40
CC[C@@H]1[C@@H](C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029505883	0	58	0.0	-59.60	424.42	5.49	-54.11
CC[C@@H]1[C@@H](C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029505883	1	58	0.0	-70.34	426.30	5.42	-64.92
CC1CCC(C)[NH+]1CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029505890	0	58	0.0	-66.17	427.08	5.47	-60.70
O=C(CCC[NH+]1CCCC1)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029505893	0	58	0.0	-71.68	439.76	6.01	-65.67
O=C(CC[NH+]1CCCCC1)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029505897	0	58	0.0	-71.50	433.93	5.90	-65.60
CC[N@@H+]1CCCCC1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029505900	0	58	0.0	-72.43	420.16	5.33	-67.10
CC[N@H+]1CCCCC1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029505900	1	58	0.0	-50.91	418.89	5.60	-45.31
C[N@H+](CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029505998	0	55	0.0	-68.03	416.08	5.45	-62.58
C[N@@H+](CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029505998	1	55	0.0	-67.81	416.22	5.46	-62.35
C[NH+]1CCC(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029506029	0	55	0.0	-73.04	413.45	4.98	-68.06
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506059	0	52	0.0	-52.93	383.15	4.14	-48.79
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506059	1	52	0.0	-67.28	388.82	4.24	-63.04
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506077	1	54	0.0	-49.90	411.70	5.54	-44.36
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506077	1	54	0.0	-66.93	418.56	5.56	-61.37
C[N@@H+]1CCCC1CCC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506082	0	58	0.0	-70.66	430.38	5.89	-64.77
C[N@H+]1CCCC1CCC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506082	1	58	0.0	-71.62	431.87	5.48	-66.14
C[N@@H+]1CCCCC1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506156	0	55	0.0	-60.60	395.70	4.89	-55.71
C[N@H+]1CCCCC1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506156	1	55	0.0	-60.58	395.73	4.91	-55.67
CC1C(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029506214	0	55	0.0	-74.14	406.22	4.73	-69.41
CC1C(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029506214	1	55	0.0	-69.73	410.77	5.07	-64.66
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506270	0	58	0.0	-53.22	425.36	5.30	-47.92
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506270	1	58	0.0	-67.38	415.04	4.53	-62.85
C[C@@H](C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029506284	0	51	0.0	-59.49	383.08	4.19	-55.30
C=CCC(C)(C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029506298	0	58	0.0	-63.59	414.18	4.92	-58.67
O=C(CC[NH+]1CCCC1)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506315	0	55	0.0	-71.59	418.26	5.20	-66.39
C[N@H+](CCO)CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506324	1	52	0.0	-70.21	398.06	0.90	-69.31
C[N@@H+](CCO)CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506324	1	52	0.0	-70.71	397.86	0.89	-69.82
C[N@H+]1CC=C(CC(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029506382	0	56	0.0	-70.62	429.09	5.77	-64.85
C[N@@H+]1CC=C(CC(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029506382	1	56	0.0	-68.48	429.08	5.76	-62.72
C[S+](C)CCC(O)C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506392	0	54	0.0	-70.49	430.15	2.87	-67.62
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506405	0	56	0.0	-64.83	405.32	1.42	-63.41
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506405	1	56	0.0	-48.55	400.35	1.12	-47.43
CC1C[NH+](CC(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029506435	1	52	0.0	-70.09	401.23	4.54	-65.55
CC[N@@H+]1CCCC(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029506441	0	58	0.0	-74.01	427.28	5.82	-68.19
CC[N@H+]1CCCC(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029506441	1	58	0.0	-64.17	418.50	5.90	-58.27
NC1=[NH+]C=CC=C1CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506445	0	51	0.0	-67.90	404.23	3.29	-64.61
O=C(NC1CCCC12CCN(C(=O)C1CCC[N@@H+]1C1CC1)C2)C1=CC(=O)[N-]O1	REAL300029506453	0	56	0.0	-54.41	411.77	5.23	-49.18
O=C(NC1CCCC12CCN(C(=O)C1CCC[N@H+]1C1CC1)C2)C1=CC(=O)[N-]O1	REAL300029506453	1	56	0.0	-55.42	416.35	6.02	-49.40
O=C(C=CC[NH+]1CCCC1)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506483	0	56	0.0	-73.62	431.49	5.82	-67.80
CC[N@H+](C)CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506528	0	51	0.0	-69.74	387.71	4.13	-65.61
O=C(CN1CC2C=CC1C2)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506563	0	54	0.0	-68.29	409.52	5.42	-62.87
O=C(C[N@@H+]1CC2C=CC1C2)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506563	1	54	0.0	-67.72	409.79	5.45	-62.27
O=C(C[N@H+]1CC2C=CC1C2)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506563	1	54	0.0	-67.72	409.79	5.45	-62.27
CC(OCC[NH+](C)C)C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506650	0	58	0.0	-70.72	440.79	5.02	-65.70
C[NH+](C)CCOCCC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506657	0	58	0.0	-70.59	446.75	4.27	-66.32
COCCN(C)CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506659	0	55	0.0	-70.70	420.10	3.30	-67.40
COCC[N@H+](C)CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506659	1	55	0.0	-70.34	420.31	3.30	-67.04
COCC[N@@H+](C)CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506659	1	55	0.0	-70.34	420.31	3.30	-67.04
CC(CCC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029506662	0	57	0.0	-70.79	427.22	5.21	-65.58
CC[N@H+](CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029506678	0	55	0.0	-67.10	415.98	5.46	-61.64
C[N@@H+]1CC2CC1(C(=O)N1CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029506705	0	53	0.0	-60.34	386.92	4.72	-55.62
O=C(C[N@@H+]1CC2CCC1C2)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506714	0	56	0.0	-49.81	413.61	5.81	-44.00
O=C(C[N@H+]1CC2CCC1C2)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506714	1	56	0.0	-49.81	413.61	5.81	-44.00
CC(C[NH+](C)C)C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506729	0	54	0.0	-73.30	407.98	4.57	-68.73
CCN1CCC1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506766	0	52	0.0	-67.98	393.51	4.13	-63.85
CC[N@@H+]1CCC1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506766	1	52	0.0	-56.49	395.66	4.57	-51.92
CC[N@H+]1CCC1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506766	1	52	0.0	-56.49	395.66	4.57	-51.92
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506777	0	60	0.0	-66.68	434.68	3.88	-62.80
CNC1=NC(C)=CC=C1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506804	0	54	0.0	-64.52	419.35	4.02	-60.50
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506804	1	54	0.0	-64.52	419.35	4.02	-60.50
CCCC(C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029506813	0	57	0.0	-67.86	421.21	5.23	-62.63
C[NH+](C)C(C)(C)C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506818	0	54	0.0	-73.50	389.28	3.86	-69.64
CC(CC[NH+](C)C)C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506832	0	57	0.0	-73.89	429.69	5.18	-68.71
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506894	0	58	0.0	-47.87	425.59	5.32	-42.55
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506894	1	58	0.0	-65.96	430.90	5.44	-60.52
C[NH+](C)CCCCCC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506896	0	60	0.0	-73.04	456.79	6.39	-66.65
C[NH+]1CCN(CC(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029506903	1	57	0.0	-66.51	425.58	3.31	-63.20
CC1C[N@H+](C)CC(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029506956	1	56	0.0	-49.80	411.54	4.47	-45.33
CC1C[N@@H+](C)CC(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029506956	1	56	0.0	-85.16	422.18	4.42	-80.74
O=C(C[NH+]1CC2CC2C1)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506987	0	53	0.0	-69.86	404.53	5.28	-64.58
C[N@@H+]1CCCCC1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507014	0	55	0.0	-60.60	395.70	4.89	-55.71
C[N@H+]1CCCCC1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507014	1	55	0.0	-60.58	395.73	4.91	-55.67
C[N@@H+]1CCC(=CC(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029507088	0	53	0.0	-66.93	402.44	5.16	-61.77
C[N@H+]1CCC(=CC(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029507088	1	53	0.0	-74.82	407.19	5.02	-69.80
O=C(CNC1=CC=[NH+]C=C1)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507091	0	51	0.0	-70.66	405.64	2.72	-67.94
C[NH+](C)C1(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029507154	0	58	0.0	-66.11	406.30	5.22	-60.89
CCC1C[NH+](CC(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029507163	0	55	0.0	-70.78	422.59	5.30	-65.48
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507173	0	52	0.0	-49.35	392.43	4.62	-44.73
C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507173	1	52	0.0	-52.85	383.06	4.14	-48.71
NC1=CC=C(CCC(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300029507217	0	54	0.0	-70.54	428.95	3.97	-66.57
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029507268	0	55	0.0	-71.67	419.53	5.17	-66.50
C[NH+](C)CCC1(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029507277	0	58	0.0	-51.96	437.51	6.03	-45.93
C[N@@H+]1CC=CCC1CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507278	0	56	0.0	-65.97	416.22	5.46	-60.51
C[N@H+]1CC=CCC1CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507278	1	56	0.0	-62.36	416.26	5.47	-56.89
C[NH+](C)CCOCC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507314	0	55	0.0	-71.77	425.80	4.56	-67.21
[NH2+]=C1SC=CN1CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507342	0	48	0.0	-65.46	397.04	3.64	-61.82
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507384	0	58	0.0	-55.50	439.77	5.41	-50.09
C[N@@H+]1CCCC(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029507414	0	55	0.0	-62.80	399.13	5.25	-57.55
C[N@H+]1CCCC(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029507414	1	55	0.0	-62.80	399.13	5.25	-57.55
O=C(C[NH+]1CCCCCC1)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507415	0	58	0.0	-69.59	420.91	5.49	-64.10
CN1C=C[N+](CC(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029507419	0	50	0.0	-67.43	401.21	6.97	-60.46
O=C(CN1CCC(O)CC1)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507442	0	56	0.0	-74.30	422.77	1.95	-72.35
O=C(C[NH+]1CCC(O)CC1)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507442	1	56	0.0	-74.30	422.77	1.95	-72.35
C[N@H+](CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029507444	0	52	0.0	-67.44	399.33	4.86	-62.58
O=C(CC[N@H+]1CCC(F)C1)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507447	0	55	0.0	-75.62	422.85	5.63	-69.99
CC(CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029507468	0	57	0.0	-72.56	427.24	5.50	-67.06
CN1CCOCC1CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507487	0	56	0.0	-62.59	414.72	3.45	-59.14
C[N@@H+]1CCOCC1CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507487	1	56	0.0	-76.42	420.54	3.30	-73.12
C[N@H+]1CCOCC1CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507487	1	56	0.0	-76.42	420.54	3.30	-73.12
CC1=CC(N)=NC=C1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507527	0	51	0.0	-73.27	399.17	2.67	-70.60
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507527	1	51	0.0	-73.27	399.17	2.67	-70.60
CC1(O)CC[N@H+](CC(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029507557	0	56	0.0	-69.56	425.35	2.26	-67.30
C[NH+]1CC(CC(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029507585	0	52	0.0	-71.30	401.21	4.29	-67.01
C[N@H+](CCO)CCC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507615	0	55	0.0	-71.26	420.33	1.47	-69.79
C[N@@H+](CCO)CCC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507615	1	55	0.0	-71.26	420.33	1.47	-69.79
C[N@@H+]1CCCCC1CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507633	0	58	0.0	-72.71	429.17	5.64	-67.07
C[N@H+]1CCCCC1CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507633	1	58	0.0	-72.71	429.17	5.64	-67.07
CC1CCN1CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507648	0	52	0.0	-67.64	393.98	4.25	-63.39
CC1CC[N@@H+]1CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507648	1	52	0.0	-56.03	390.21	4.42	-51.61
CC1CC[N@H+]1CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507648	1	52	0.0	-56.03	390.21	4.42	-51.61
C[NH+](C)CC=CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507656	0	52	0.0	-74.65	405.16	4.62	-70.03
CC1(C)CN(CC(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029507662	0	55	0.0	-56.80	416.94	5.39	-51.41
CC1(C)C[NH+](CC(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029507662	1	55	0.0	-56.80	416.94	5.39	-51.41
C[NH+](C)CCSCC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507684	0	55	0.0	-76.42	436.82	5.43	-70.99
O=C(C[N@H+]1CCCC1CO)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507703	0	56	0.0	-57.04	420.50	2.29	-54.75
CC[NH+](CC)CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507707	0	54	0.0	-68.62	405.99	4.79	-63.83
O=C(CN1CCC1)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507716	0	49	0.0	-70.64	380.04	3.86	-66.78
O=C(C[NH+]1CCC1)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507716	1	49	0.0	-70.64	380.04	3.86	-66.78
CC[NH+](CC)CCC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507747	0	57	0.0	-71.16	427.88	5.40	-65.76
CC(C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1)N1CCC1	REAL300029507806	0	52	0.0	-54.27	395.37	4.71	-49.56
CC(C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029507806	1	52	0.0	-54.27	395.37	4.71	-49.56
CCC(CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029507811	0	60	0.0	-67.59	445.16	6.09	-61.50
C[NH+](C)CC(C)(C)C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507817	0	57	0.0	-65.07	406.73	4.56	-60.51
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507854	0	55	0.0	-56.42	399.64	4.93	-51.49
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507854	1	55	0.0	-68.42	409.46	4.95	-63.47
C[NH+](C)CC(O)CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507878	0	55	0.0	-76.30	422.63	2.48	-73.82
C=CCC(C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029507900	0	55	0.0	-64.96	410.21	4.78	-60.18
C[NH+]1CCC(C)(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029507913	0	58	0.0	-75.32	411.82	5.18	-70.14
C[NH+](C)CCSCC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029507971	0	55	0.0	-72.35	432.77	5.67	-66.68
C[N@@H+]1CCCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029508130	0	51	0.0	-66.37	368.41	4.00	-62.37
C[N@H+]1CCCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029508130	1	51	0.0	-69.74	362.37	3.51	-66.23
C[N@@H+]1CCOC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029508154	1	52	0.0	-75.46	372.62	3.25	-72.21
C[N@H+]1CCOC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029508154	1	52	0.0	-92.19	379.74	3.41	-88.78
CC(C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)[NH+]1CCCCCC1	REAL300029508315	0	60	0.0	-66.54	412.39	5.38	-61.16
CC(C)[N@@H+]1CCCCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029508317	0	60	0.0	-64.46	409.91	5.53	-58.93
CC(C)[N@H+]1CCCCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029508317	1	60	0.0	-66.36	409.34	5.51	-60.85
CC(C)[N@@H+]1CCCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029508338	0	57	0.0	-71.53	389.32	4.93	-66.60
CC(C)[N@H+]1CCCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029508338	1	57	0.0	-70.37	395.15	5.19	-65.18
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1CC2CCCC[N@@H+]2C1	REAL300029508354	0	58	0.0	-71.66	410.85	5.65	-66.01
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1CC2CCCC[N@H+]2C1	REAL300029508354	1	58	0.0	-74.33	410.46	5.63	-68.70
CC(C)C1=[NH+]C=CN1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029508375	1	55	0.0	-65.40	407.72	5.64	-59.76
CC1=[NH+]C=CN1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029508405	1	49	0.0	-66.64	370.73	4.55	-62.09
CC(C[NH+]1CCOCC1)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029508406	0	58	0.0	-64.40	413.06	3.84	-60.56
O=C(CCC[NH+]1CCCCC1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029508422	0	60	0.0	-74.49	427.86	6.21	-68.28
CC(C)(C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)[NH+]1CCCCC1	REAL300029508440	0	60	0.0	-73.58	411.41	5.88	-67.70
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1C[NH+]2CCC1CC2	REAL300029508448	0	55	0.0	-82.67	383.55	4.76	-77.91
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1CCCC2CCC[N@@H+]21	REAL300029508489	0	58	0.0	-67.34	398.13	5.50	-61.84
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1CCCC2CCC[N@H+]21	REAL300029508489	1	58	0.0	-64.08	406.93	5.80	-58.28
C[C@@H]1[C@H](C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)CC[N@@H+]1C	REAL300029508503	0	54	0.0	-72.22	380.31	4.22	-68.00
C[C@@H]1[C@H](C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)CC[N@H+]1C	REAL300029508503	1	54	0.0	-74.40	385.59	4.18	-70.22
CC[C@@H]1[C@@H](C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)CC[N@@H+]1C	REAL300029508507	0	57	0.0	-76.96	400.07	4.62	-72.34
CC[C@@H]1[C@@H](C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)CC[N@H+]1C	REAL300029508507	1	57	0.0	-72.11	403.20	5.19	-66.92
CC[N@@H+]1CCOC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029508517	1	55	0.0	-89.87	397.49	4.06	-85.81
CC[N@H+]1CCOC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029508517	1	55	0.0	-81.01	390.93	3.86	-77.15
CC[NH+](CC)CC(F)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029508558	0	56	0.0	-76.56	405.69	4.98	-71.58
CC1CCC(C)[NH+]1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029508621	0	57	0.0	-67.18	399.74	4.95	-62.23
O=C(CCC[NH+]1CCCC1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029508627	0	57	0.0	-73.84	410.56	5.37	-68.47
C#CC[NH+]1CCC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)CC1	REAL300029508632	0	56	0.0	-85.23	412.08	5.82	-79.41
O=C(CC[NH+]1CCCCC1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029508633	0	57	0.0	-72.52	406.33	5.38	-67.14
CC[N@@H+]1CCCCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029508639	0	57	0.0	-68.44	393.22	5.00	-63.44
CC[N@H+]1CCCCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029508639	1	57	0.0	-67.56	402.17	5.19	-62.37
CC(C)C[N@@H+]1CCC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029508653	0	60	0.0	-72.86	427.27	5.93	-66.93
CC(C)C[N@H+]1CCC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029508653	1	60	0.0	-71.25	426.61	5.94	-65.31
C[NH+](C)C1(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)CCC1	REAL300029508657	0	54	0.0	-82.55	381.70	4.65	-77.90
CC(C)[N@@H+]1CCCC1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029508659	0	60	0.0	-63.23	412.93	5.08	-58.15
CC(C)[N@H+]1CCCC1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029508659	1	60	0.0	-70.79	421.72	5.56	-65.23
CC(C)[C@@H](C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)[NH+](C)C	REAL300029508672	0	56	0.0	-71.85	392.20	5.11	-66.74
C[N@H+](CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1CCC1	REAL300029508713	0	54	0.0	-67.30	388.48	4.95	-62.35
C[N@@H+](CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1CCC1	REAL300029508713	1	54	0.0	-65.94	388.31	4.89	-61.05
CC(C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)[NH+]1C(C)CCC1C	REAL300029508772	0	60	0.0	-67.88	404.20	4.95	-62.93
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029508831	1	53	0.0	-70.38	388.86	4.75	-65.63
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029508831	1	53	0.0	-68.57	394.89	5.24	-63.33
C[N@@H+]1CCCC1CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029508837	0	57	0.0	-79.28	410.31	5.45	-73.83
C[N@H+]1CCCC1CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029508837	1	57	0.0	-79.79	406.28	5.26	-74.53
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C12CCC[NH+](CCC1)C2	REAL300029508846	0	58	0.0	-73.99	400.52	5.18	-68.81
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1CCC2CCCC[N@@H+]21	REAL300029508849	0	58	0.0	-69.76	403.87	5.42	-64.34
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1CCC2CCCC[N@H+]21	REAL300029508849	1	58	0.0	-65.14	410.73	5.88	-59.26
O=C(CCCC[NH+]1CCCC1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029508865	0	60	0.0	-77.21	433.69	6.29	-70.92
C[NH+]1CCC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)CC1	REAL300029508876	0	54	0.0	-82.10	386.91	4.61	-77.49
C[NH+](C)CC1=CC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)=NO1	REAL300029508911	1	53	0.0	-82.67	400.40	3.93	-78.74
CC1=C(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C=CC2=C[NH+]=CN21	REAL300029508912	0	52	0.0	-75.52	386.60	6.85	-68.67
C[N@@H+]1CCCCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029508943	0	54	0.0	-63.58	384.06	4.52	-59.06
C[N@H+]1CCCCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029508943	1	54	0.0	-66.03	384.32	4.57	-61.46
CC(C)C[N@@H+]1CCCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029508965	0	60	0.0	-71.65	421.23	5.61	-66.04
CC(C)C[N@H+]1CCCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029508965	1	60	0.0	-71.07	416.92	6.23	-64.84
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1=CN2C=[NH+]C=C2C=C1	REAL300029509065	0	49	0.0	-76.93	372.49	6.49	-70.44
CC1=[NH+]C=CN1CCCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029509073	1	55	0.0	-71.37	413.88	5.86	-65.51
O=C(CC[NH+]1CCOCC1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029509078	1	55	0.0	-75.72	397.60	2.96	-72.76
CC1=C[NH+]=CN1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029509108	1	49	0.0	-66.89	371.83	5.24	-61.65
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C12CCC[NH+]1CCC2	REAL300029509147	0	55	0.0	-79.90	386.92	4.95	-74.95
C[NH+](C)C1CCCC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029509171	0	60	0.0	-61.87	415.42	5.66	-56.21
C[N@@H+]1CCC(CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029509174	0	54	0.0	-78.14	389.69	4.58	-73.56
C[N@H+]1CCC(CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029509174	1	54	0.0	-76.22	389.02	4.57	-71.65
CN(C)C1=CC=[NH+]C=C1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029509186	0	53	0.0	-88.08	393.04	3.76	-84.32
CCC(C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)[NH+](C)C	REAL300029509191	0	53	0.0	-66.18	373.08	3.92	-62.26
C[NH+](C)C1(CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)CCCC1	REAL300029509203	0	60	0.0	-81.03	406.18	5.41	-75.62
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1=CC2=C[NH+]=CN2C=C1	REAL300029509244	1	49	0.0	-85.67	372.76	6.47	-79.20
C[NH+](C)CCCCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029509298	0	56	0.0	-79.10	407.73	5.12	-73.98
CC(C)C(C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)[NH+](C)C	REAL300029509318	0	56	0.0	-70.23	392.47	5.16	-65.07
CCC[N@H+](C)CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029509320	0	56	0.0	-73.34	403.67	4.84	-68.50
CCC[N@@H+](C)CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029509320	1	56	0.0	-74.50	403.96	4.93	-69.57
CCC[N@H+](C)CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029509325	0	53	0.0	-68.50	381.30	4.32	-64.18
CCC[N@@H+](C)CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029509325	1	53	0.0	-69.16	381.56	4.37	-64.79
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C12CC[N@H+](C1)CCC2	REAL300029509348	0	55	0.0	-75.58	383.93	4.19	-71.39
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C12CC[N@@H+](C1)CCC2	REAL300029509348	1	55	0.0	-83.02	382.95	4.26	-78.76
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029509384	0	51	0.0	-71.79	362.36	3.51	-68.28
C[N@H+]1CCC[C@@H]1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029509384	1	51	0.0	-68.20	367.94	4.00	-64.20
CCCCCC[N@H+](C)CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029509441	0	62	0.0	-69.53	445.79	6.66	-62.87
CCCCCC[N@@H+](C)CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029509441	1	62	0.0	-70.22	446.05	6.73	-63.49
CC[NH+](CC)C(C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C(C)C	REAL300029509445	0	62	0.0	-65.35	412.86	5.15	-60.20
CC[NH+](CC)CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029509454	0	53	0.0	-68.12	378.46	4.34	-63.78
CCC[N@@H+]1CCCC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029509486	0	60	0.0	-62.73	419.82	6.20	-56.53
CCC[N@H+]1CCCC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029509486	1	60	0.0	-61.67	419.81	6.18	-55.49
CC(C)[N@@H+]1CCOC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029509501	1	58	0.0	-87.28	414.30	4.57	-82.71
CC(C)[N@H+]1CCOC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029509501	1	58	0.0	-78.31	406.97	4.36	-73.95
CC1CC[NH+](CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)CC1	REAL300029509530	0	57	0.0	-69.27	404.65	5.38	-63.89
C[NH+]1CCC(OCC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)CC1	REAL300029509556	0	58	0.0	-83.74	422.83	5.05	-78.69
C[NH+](C)CC1(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)CC1	REAL300029509567	0	54	0.0	-87.66	388.32	4.81	-82.85
CC(C)[NH+]1CCC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)CC1	REAL300029509640	0	60	0.0	-77.46	417.30	5.52	-71.94
C[NH+]1CCC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)CC1	REAL300029509658	0	54	0.0	-82.10	386.91	4.61	-77.49
CC(C)[C@H](C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)[NH+](C)C	REAL300029509676	0	56	0.0	-67.55	391.42	5.21	-62.34
CCC(C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)[NH+](CC)CC	REAL300029509707	0	59	0.0	-62.97	408.53	5.29	-57.68
CC[N@H+](C)CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029509763	0	53	0.0	-73.93	382.46	4.19	-69.74
CC[N@@H+](C)CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029509763	1	53	0.0	-73.85	382.46	4.19	-69.66
CC1CCC[N@@H+]1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029509819	0	54	0.0	-67.28	387.25	4.63	-62.65
CC1CCC[N@H+]1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029509819	1	54	0.0	-67.27	387.30	4.64	-62.63
CC1CC[N@H+](CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029509821	0	54	0.0	-68.89	388.22	4.69	-64.20
CC1CC[N@@H+](CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029509821	1	54	0.0	-68.61	387.69	4.64	-63.97
CC1(C)CC[N@H+](CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029509825	0	57	0.0	-69.55	407.59	5.21	-64.34
CC1(C)CC[N@@H+](CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029509825	1	57	0.0	-69.55	407.78	5.20	-64.35
C[N@H+](CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)CC(C)(C)C	REAL300029509826	0	59	0.0	-69.78	410.16	5.37	-64.41
C[N@@H+](CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)CC(C)(C)C	REAL300029509826	1	59	0.0	-69.50	412.11	5.51	-63.99
CC[C@@H](C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)[NH+](C)C	REAL300029509834	0	53	0.0	-64.94	372.55	3.98	-60.96
C[NH+]1CCC(O)(CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)CC1	REAL300029509991	0	58	0.0	-73.15	412.63	3.21	-69.94
C[NH+](C)CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510003	0	47	0.0	-69.41	342.37	2.98	-66.43
O=C(C[NH+]1CCC(CO)CC1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510007	0	58	0.0	-69.60	415.48	2.07	-67.53
O=C(C[NH+]1CCCCCC1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510008	0	57	0.0	-68.24	393.44	5.04	-63.20
CN1C=C[N+](CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)=C1	REAL300029510012	0	49	0.0	-65.78	373.30	6.41	-59.37
C[N@@H+]1CCCC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029510019	0	54	0.0	-72.88	387.48	4.58	-68.30
C[N@H+]1CCCC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029510019	1	54	0.0	-74.10	386.96	4.57	-69.53
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1CCC[N@@H+]1C1CC1	REAL300029510024	0	55	0.0	-76.15	391.43	4.88	-71.27
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1CCC[N@H+]1C1CC1	REAL300029510024	1	55	0.0	-66.55	394.69	5.35	-61.20
CC(C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)[NH+]1CCC1	REAL300029510051	1	51	0.0	-67.68	370.53	4.03	-63.65
CCC(CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C[NH+](C)C	REAL300029510056	0	59	0.0	-59.93	417.60	5.60	-54.33
C[NH+](C)CC(C)(C)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510063	0	56	0.0	-63.68	389.90	4.68	-59.00
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C12CC(C1)C[N@@H+]2C1CC1	REAL300029510080	0	56	0.0	-78.25	398.76	6.14	-72.11
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C12CC(C1)C[N@H+]2C1CC1	REAL300029510080	1	56	0.0	-79.07	400.30	6.26	-72.81
O=C(C[NH+]1CCC(O)CC1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510088	1	55	0.0	-71.59	394.89	1.42	-70.17
C[N@H+](CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1CC1	REAL300029510089	0	51	0.0	-66.08	371.61	4.37	-61.71
C[N@@H+](CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1CC1	REAL300029510089	1	51	0.0	-66.92	371.79	4.39	-62.53
CC(C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)N1CC[NH+](C)CC1	REAL300029510090	1	59	0.0	-70.16	413.01	2.72	-67.44
C[NH+]1CC(CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029510108	0	51	0.0	-75.03	374.20	3.78	-71.25
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1CC[N@@H+]1C1CCCC1	REAL300029510112	0	58	0.0	-69.55	409.35	5.49	-64.06
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1CC[N@H+]1C1CCCC1	REAL300029510112	1	58	0.0	-68.74	407.40	5.36	-63.38
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510120	0	57	0.0	-68.80	403.71	4.67	-64.13
CC(C)(C)[N@H+]1CCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510120	1	57	0.0	-66.85	404.37	4.67	-62.18
C[C@@H](C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)[NH+](C)C	REAL300029510131	0	50	0.0	-70.26	360.20	3.32	-66.94
CCC1CCC[N@H+](CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029510170	0	60	0.0	-70.07	423.32	6.09	-63.98
CCC1CCC[N@@H+](CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029510170	1	60	0.0	-69.92	416.84	6.03	-63.89
C[NH+](C)CC1=CC=C(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)N1	REAL300029510177	0	55	0.0	-96.51	408.94	4.39	-92.12
[NH2+]=C1SC=CN1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510218	0	47	0.0	-66.29	369.41	3.15	-63.14
C[N@H+](CCO)CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510228	0	54	0.0	-73.78	392.78	0.96	-72.82
C[N@@H+](CCO)CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510228	1	54	0.0	-71.33	392.35	0.91	-70.42
C[C@@H](C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)[NH+](C)C	REAL300029510229	0	50	0.0	-70.26	360.20	3.32	-66.94
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510233	0	54	0.0	-66.60	374.67	4.39	-62.21
C[N@H+]1CCCC[C@@H]1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510233	1	54	0.0	-68.83	384.05	4.52	-64.31
CC1CN2CC[N@@H+]1CC2C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510241	0	57	0.0	-85.43	392.91	1.83	-83.60
CC1CN2CC[N@H+]1CC2C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510241	1	57	0.0	-85.50	392.73	1.84	-83.66
O=C(CC1=CC2=C[NH+]=CN2C=C1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510283	0	52	0.0	-71.92	396.48	7.08	-64.84
C[N@H+](CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1CCSC1	REAL300029510306	0	55	0.0	-72.96	401.41	5.14	-67.82
C[N@@H+](CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1CCSC1	REAL300029510306	1	55	0.0	-74.81	401.67	5.19	-69.62
O=C(C[NH+]1CCC1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510307	1	48	0.0	-69.25	352.37	3.38	-65.87
C[N@@H+]1CCC(=CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029510337	0	52	0.0	-77.43	381.19	4.50	-72.93
C[N@H+]1CCC(=CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029510337	1	52	0.0	-77.24	381.79	4.50	-72.74
C[NH+](C)CCOCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510370	0	54	0.0	-72.08	398.24	4.04	-68.04
CCCCC[N@H+](C)CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510376	0	62	0.0	-74.01	446.66	6.40	-67.61
CCCCC[N@@H+](C)CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510376	1	62	0.0	-75.25	446.96	6.49	-68.76
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)O1	REAL300029510385	0	58	0.0	-76.14	419.58	5.16	-70.98
C=CCC(C)(C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)[NH+](C)C	REAL300029510392	0	57	0.0	-61.09	397.29	4.91	-56.18
C[S+](C)CCC(O)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510397	0	53	0.0	-86.96	407.21	2.63	-84.33
C[N@@H+]1CC(O)CC1(C)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510422	0	55	0.0	-83.56	387.24	1.48	-82.08
CN1CC[N@H+](C)CC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029510432	0	59	0.0	-68.21	414.05	2.71	-65.50
CN1CC[N@@H+](C)CC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029510432	1	59	0.0	-68.21	414.05	2.71	-65.50
CC(C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)[N@@H+]1CCCC(O)C1	REAL300029510433	0	58	0.0	-71.74	411.31	2.07	-69.67
C[N@@H+]1CCCC(O)(CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029510451	0	58	0.0	-73.91	400.05	3.20	-70.71
C[N@H+]1CCCC(O)(CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029510451	1	58	0.0	-73.91	400.05	3.20	-70.71
CC1CN(CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029510454	0	51	0.0	-71.06	372.33	4.10	-66.96
CC1C[NH+](CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029510454	1	51	0.0	-71.06	372.33	4.10	-66.96
CN(CCO)CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510480	0	51	0.0	-68.76	370.15	0.33	-68.43
C[N@H+](CCO)CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510480	1	51	0.0	-70.36	370.12	0.36	-70.00
C[N@@H+](CCO)CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510480	1	51	0.0	-70.36	370.12	0.36	-70.00
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1C[N@@H+]2CCN1CCC2	REAL300029510502	0	57	0.0	-73.82	390.06	2.22	-71.60
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1C[N@H+]2CCN1CCC2	REAL300029510502	1	57	0.0	-73.82	390.06	2.22	-71.60
CC[N@@H+]1CCCC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029510508	0	57	0.0	-71.57	404.57	5.24	-66.33
CC[N@H+]1CCCC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029510508	1	57	0.0	-71.57	404.57	5.24	-66.33
CC(CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C[NH+](C)C	REAL300029510510	0	56	0.0	-80.60	399.50	4.96	-75.64
CC[N@H+](C)CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510521	0	50	0.0	-68.18	359.80	3.57	-64.61
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C12CCC[N@@H+]1CCCC2	REAL300029510545	0	58	0.0	-66.47	398.48	5.41	-61.06
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C12CCC[N@H+]1CCCC2	REAL300029510545	1	58	0.0	-66.47	398.48	5.41	-61.06
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C12CCC[N@@H+]1CC=CC2	REAL300029510550	0	56	0.0	-65.36	389.94	5.28	-60.08
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C12CCC[N@H+]1CC=CC2	REAL300029510550	1	56	0.0	-65.36	389.94	5.28	-60.08
CC[N@H+](CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1CC1	REAL300029510570	0	54	0.0	-69.68	383.71	4.89	-64.79
CC[NH+](CC)CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510586	0	56	0.0	-73.28	400.31	4.90	-68.38
CC1(C)CN(CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029510609	0	54	0.0	-70.52	393.12	4.64	-65.88
CC1(C)C[NH+](CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029510609	1	54	0.0	-70.52	393.12	4.64	-65.88
CC1(O)CC[N@H+](CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029510634	0	55	0.0	-70.65	398.87	1.38	-69.27
C[NH+](C)CC=CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510641	0	51	0.0	-79.25	378.29	4.19	-75.06
CC(OCC[NH+](C)C)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510662	0	57	0.0	-73.82	417.73	4.63	-69.19
C[NH+](C)CCOCCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510670	0	57	0.0	-77.95	419.19	3.77	-74.18
COCCN(C)CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510671	0	54	0.0	-70.75	392.42	2.80	-67.95
COCC[N@H+](C)CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510671	1	54	0.0	-70.91	392.66	2.80	-68.11
COCC[N@@H+](C)CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510671	1	54	0.0	-70.91	392.66	2.80	-68.11
C[NH+](C)C1(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)CCCC1	REAL300029510704	0	57	0.0	-78.29	394.49	5.55	-72.74
CC(CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)[NH+](C)C	REAL300029510707	0	56	0.0	-73.37	399.65	4.71	-68.66
CCN1CCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510714	0	51	0.0	-67.98	367.22	3.69	-64.29
CC[N@@H+]1CCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510714	1	51	0.0	-69.29	367.55	3.58	-65.71
CC[N@H+]1CCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510714	1	51	0.0	-69.29	367.55	3.58	-65.71
CC(C)[N@@H+]1CCCC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029510724	0	60	0.0	-60.98	415.50	5.94	-55.04
CC(C)[N@H+]1CCCC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029510724	1	60	0.0	-60.98	415.50	5.94	-55.04
O=C(C[N@H+]1CCCC1CO)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510737	0	55	0.0	-71.26	396.97	1.62	-69.64
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1CC2CCCC[N@@H+]2C1	REAL300029510759	0	58	0.0	-74.33	410.46	5.63	-68.70
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1CC2CCCC[N@H+]2C1	REAL300029510759	1	58	0.0	-74.33	410.46	5.63	-68.70
C[NH+]1CCC(C)(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)CC1	REAL300029510765	0	57	0.0	-69.74	399.59	5.03	-64.71
C=CCC(C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)[NH+](C)C	REAL300029510793	0	54	0.0	-69.40	388.98	4.66	-64.74
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510803	0	57	0.0	-65.83	408.61	5.19	-60.64
C[NH+](C)CCCCCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510807	0	59	0.0	-79.35	429.22	5.89	-73.46
CC1C[N@@H+]2CCN1C(C(=O)NC1CCCN(C(=O)C3=CC(=O)[N-]O3)CCC1)C2	REAL300029510841	0	57	0.0	-86.54	395.26	2.00	-84.54
CCCC(C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)[NH+](C)C	REAL300029510842	0	56	0.0	-68.79	396.47	4.90	-63.89
C[NH+](C)C(C)(C)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510846	0	53	0.0	-77.77	369.57	4.06	-73.71
C[N@@H+]1CCCCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510884	0	54	0.0	-63.58	384.06	4.52	-59.06
C[N@H+]1CCCCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510884	1	54	0.0	-66.03	384.32	4.57	-61.46
C[N@H+]1CC=C(CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)CC1	REAL300029510917	0	55	0.0	-71.68	402.05	5.28	-66.40
C[N@@H+]1CC=C(CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)CC1	REAL300029510917	1	55	0.0	-64.23	401.45	5.29	-58.94
O=C(CC1([NH+]2CCCC2)CC1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510926	0	58	0.0	-69.04	407.21	5.64	-63.40
C[NH+](C)CC1=CC=C(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)O1	REAL300029510970	1	54	0.0	-90.17	406.90	4.79	-85.38
O=C(C=CC[NH+]1CCCC1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510986	0	55	0.0	-78.55	404.67	5.40	-73.15
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1CC[NH+](C2CC2)CC1	REAL300029511007	0	58	0.0	-78.35	411.74	5.82	-72.53
C[NH+](C)C1(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)CC1	REAL300029511026	0	51	0.0	-78.53	371.34	4.17	-74.36
O=C(CC[NH+]1CCCC1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029511028	0	54	0.0	-73.27	390.69	4.71	-68.56
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1C[NH+]2CCN1CC2	REAL300029511062	0	54	0.0	-86.38	378.66	1.42	-84.96
C[N@@H+]1CC2CC1(C(=O)NC1CCCN(C(=O)C3=CC(=O)[N-]O3)CCC1)C2	REAL300029511072	0	52	0.0	-81.72	374.70	4.19	-77.53
C[N@H+]1CC2CC1(C(=O)NC1CCCN(C(=O)C3=CC(=O)[N-]O3)CCC1)C2	REAL300029511072	1	52	0.0	-73.73	372.99	4.04	-69.69
O=C(C[N@@H+]1CC2CCC1C2)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029511084	0	55	0.0	-66.42	386.27	4.86	-61.56
O=C(C[N@H+]1CC2CCC1C2)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029511084	1	55	0.0	-68.22	389.36	5.06	-63.16
O=C(C=C1C[NH+]2CCC1CC2)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029511125	0	56	0.0	-62.29	398.71	5.38	-56.91
O=C(C[N@@H+]1CC2C=CC1C2)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029511135	1	53	0.0	-67.86	382.12	4.93	-62.93
O=C(C[N@H+]1CC2C=CC1C2)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029511135	1	53	0.0	-68.51	381.56	4.95	-63.56
CC[NH+]1CCN(CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)CC1	REAL300029511166	0	59	0.0	-71.08	418.59	3.10	-67.98
CC(C[NH+](C)C)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029511183	0	53	0.0	-74.07	380.73	4.23	-69.84
C[N@@H+]1CCCCC1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029511253	0	57	0.0	-59.24	394.07	5.02	-54.22
C[N@H+]1CCCCC1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029511253	1	57	0.0	-61.61	394.05	5.02	-56.59
CC1=C2C=C(C(=O)NC3CCCN(C(=O)C4=CC(=O)[N-]O4)CCC3)C=CN2C=[NH+]1	REAL300029511269	1	52	0.0	-84.54	394.68	7.04	-77.50
CC(C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)[NH+]1CC(C)C1	REAL300029511270	1	54	0.0	-68.62	389.74	4.65	-63.97
CC1CC[N@@H+]1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029511273	1	51	0.0	-69.13	373.41	4.01	-65.12
CC1CC[N@H+]1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029511273	1	51	0.0	-67.72	368.15	3.78	-63.94
C[NH+](C)CC(O)CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029511277	0	54	0.0	-80.23	394.98	2.01	-78.22
CC1C[N@H+](C)CC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)O1	REAL300029511304	1	55	0.0	-83.10	394.32	3.95	-79.15
CC1C[N@@H+](C)CC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)O1	REAL300029511304	1	55	0.0	-85.85	393.42	3.66	-82.19
O=C(CC[NH+]1CCC(O)CC1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029511313	0	58	0.0	-75.55	417.41	2.03	-73.52
CCC[N@@H+]1CCCCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029511315	0	60	0.0	-67.45	413.80	5.77	-61.68
CCC[N@H+]1CCCCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029511315	1	60	0.0	-67.46	413.73	5.76	-61.70
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029511385	0	54	0.0	-74.24	391.88	4.70	-69.54
CC(CC[NH+](C)C)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029511393	0	56	0.0	-75.27	402.11	4.79	-70.48
C[N@H+](CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)[C@@H]1CCC[C@H]1O	REAL300029511413	0	58	0.0	-62.87	412.85	2.36	-60.51
C[N@@H+](CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)[C@@H]1CCC[C@H]1O	REAL300029511413	1	58	0.0	-66.70	413.24	2.36	-64.34
C#CC[N@H+]1CCCCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029511419	1	56	0.0	-67.08	399.80	5.57	-61.51
C#CC[N@@H+]1CCCCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029511419	1	56	0.0	-67.39	409.62	5.76	-61.63
C[NH+]1CCN(CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)CC1	REAL300029511422	1	56	0.0	-74.96	401.11	2.42	-72.54
CC[NH+]1CCN(CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)CC1	REAL300029511431	0	59	0.0	-71.08	418.59	3.10	-67.98
NC(=[NH2+])SCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029511455	0	45	0.0	-76.75	350.89	-0.15	-76.90
CC[N@@H+]1CCOCC1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029511490	0	58	0.0	-76.61	405.54	3.28	-73.33
C[NH+](C)C1CCC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)CC1	REAL300029511505	0	60	0.0	-75.25	414.37	5.59	-69.66
C[NH+](C)CCC1(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)CC1	REAL300029511506	0	57	0.0	-84.34	417.01	5.49	-78.85
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)CC1	REAL300029511508	0	60	0.0	-66.21	414.65	5.66	-60.55
C[N@@H+]1CC=CCC1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029511509	0	55	0.0	-78.87	393.52	5.01	-73.86
C[N@H+]1CC=CCC1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029511509	1	55	0.0	-78.87	393.52	5.01	-73.86
C[C@@H](OCC[NH+](C)C)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029511530	0	57	0.0	-68.02	418.02	4.72	-63.30
C[NH+]1C2CCC1CC(C(=O)NC1CCCN(C(=O)C3=CC(=O)[N-]O3)CCC1)C2	REAL300029511556	0	58	0.0	-73.50	402.97	5.18	-68.32
CC(C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)[NH+]1CCSCC1	REAL300029511662	1	55	0.0	-70.37	401.54	4.98	-65.39
CCC1C[NH+](CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029511664	1	54	0.0	-71.19	394.98	4.83	-66.36
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1([NH+]2CCCC2)CCC1	REAL300029511666	0	58	0.0	-79.05	400.64	5.62	-73.43
C[N@H+]1CCC[C@H]1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029511675	1	51	0.0	-69.75	362.35	3.51	-66.24
O=C(CC[N@@H+]1CCC(F)C1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029511682	1	54	0.0	-77.40	396.37	4.72	-72.68
COC1C[N@@H+](C)C(C)(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029511690	1	58	0.0	-80.79	412.67	3.43	-77.36
O=C(CC[NH+]1CCCCCC1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029511698	0	60	0.0	-75.08	416.33	5.58	-69.50
O=C(C[NH+]1CCCCC1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029511700	0	54	0.0	-70.16	384.10	4.85	-65.31
CC1C(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)CC[N@@H+]1C	REAL300029511710	0	54	0.0	-72.23	380.31	4.22	-68.01
CC1C(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)CC[N@H+]1C	REAL300029511710	1	54	0.0	-69.02	388.43	4.54	-64.48
C[N@@H+]1CCCCC1CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029511712	0	60	0.0	-80.44	416.29	5.68	-74.76
C[N@H+]1CCCCC1CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029511712	1	60	0.0	-70.98	423.67	5.91	-65.07
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1CC[N@@H+]2CCOCC12	REAL300029511740	0	56	0.0	-81.61	401.86	3.26	-78.35
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1CC[N@H+]2CCOCC12	REAL300029511740	1	56	0.0	-66.41	397.46	3.27	-63.14
CC1=[NH+]C=C2C=CC(C(=O)NC3CCCN(C(=O)C4=CC(=O)[N-]O4)CCC3)=CN21	REAL300029511745	0	52	0.0	-73.22	394.52	6.24	-66.98
CN1CCOCC1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029511759	0	55	0.0	-64.75	385.44	2.63	-62.12
C[N@@H+]1CCOCC1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029511759	1	55	0.0	-82.84	392.93	2.78	-80.06
C[N@H+]1CCOCC1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029511759	1	55	0.0	-64.75	385.44	2.63	-62.12
CC1=C(C)[NH+]=C(CCC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)N1	REAL300029511767	1	55	0.0	-69.05	412.60	4.26	-64.79
C[N@@H+]1CCCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029511937	0	51	0.0	-60.97	356.87	3.35	-57.62
C[N@H+]1CCCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029511937	1	51	0.0	-51.93	360.67	3.52	-48.41
C[N@@H+]1CCOC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029511963	1	52	0.0	-63.76	363.62	3.01	-60.75
C[N@H+]1CCOC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029511963	1	52	0.0	-63.76	363.52	2.99	-60.77
CC1=[NH+]C=CN1CCCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029512123	1	55	0.0	-66.80	419.43	6.16	-60.64
O=C(CC[NH+]1CCOCC1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029512128	1	55	0.0	-70.32	403.69	3.27	-67.05
O=C(NC1CCCN(C(=O)C23CCC[NH+]2CCC3)CCC1)C1=CC(=O)[N-]O1	REAL300029512153	0	55	0.0	-57.88	364.19	4.62	-53.26
O=C(NC1CCCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CCC1)C1=CC(=O)[N-]O1	REAL300029512162	1	49	0.0	-74.42	370.75	6.19	-68.23
C[NH+](C)C1CCCC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029512216	0	60	0.0	-64.84	426.03	5.87	-58.97
C[N@@H+]1CCC(CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029512219	0	54	0.0	-61.16	393.97	4.82	-56.34
C[N@H+]1CCC(CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029512219	1	54	0.0	-69.21	394.51	4.90	-64.31
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029512231	0	53	0.0	-83.24	391.94	3.11	-80.13
CCC(C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1)[NH+](C)C	REAL300029512236	0	53	0.0	-61.74	377.71	4.24	-57.50
C[NH+](C)CCCCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029512298	0	56	0.0	-71.52	413.79	5.39	-66.13
CC(C)C(C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1)[NH+](C)C	REAL300029512320	0	56	0.0	-55.29	376.60	4.72	-50.57
CCC[N@H+](C)CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029512322	0	56	0.0	-69.52	410.02	5.24	-64.28
CCC[N@@H+](C)CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029512322	1	56	0.0	-69.52	410.02	5.21	-64.31
CCC[N@H+](C)CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029512327	0	53	0.0	-66.47	387.89	4.61	-61.86
CCC[N@@H+](C)CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029512327	1	53	0.0	-65.21	387.91	4.61	-60.60
O=C(NC1CCCN(C(=O)C23CC[N@H+](C2)CCC3)CCC1)C1=CC(=O)[N-]O1	REAL300029512350	0	55	0.0	-74.59	379.18	3.99	-70.60
O=C(NC1CCCN(C(=O)C23CC[N@@H+](C2)CCC3)CCC1)C1=CC(=O)[N-]O1	REAL300029512350	1	55	0.0	-73.34	374.91	3.80	-69.54
CCCCCC[N@H+](C)CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029512382	0	62	0.0	-67.58	452.38	6.96	-60.62
CCCCCC[N@@H+](C)CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029512382	1	62	0.0	-66.30	452.40	6.96	-59.34
CC[NH+](CC)C(C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1)C(C)C	REAL300029512386	0	62	0.0	-53.95	406.76	5.62	-48.33
CC1CC[NH+](CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)CC1	REAL300029512418	0	57	0.0	-66.55	411.23	5.68	-60.87
C[NH+]1CCC(OCC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)CC1	REAL300029512444	0	58	0.0	-78.10	428.39	5.38	-72.72
O=C(NC1CCCN(C(=O)C2CC3CCCC[N@@H+]3C2)CCC1)C1=CC(=O)[N-]O1	REAL300029512486	0	58	0.0	-65.27	415.39	5.86	-59.41
O=C(NC1CCCN(C(=O)C2CC3CCCC[N@H+]3C2)CCC1)C1=CC(=O)[N-]O1	REAL300029512486	1	58	0.0	-65.71	412.12	5.79	-59.92
C[NH+](C)CC1(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)CC1	REAL300029512497	0	54	0.0	-53.62	376.32	4.32	-49.30
CC(C)[NH+]1CCC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)CC1	REAL300029512508	0	60	0.0	-71.93	422.26	5.69	-66.24
CC[N@H+](C)CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029512529	0	53	0.0	-68.83	388.52	4.49	-64.34
CC[N@@H+](C)CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029512529	1	53	0.0	-68.72	388.52	4.47	-64.25
CC(C)(C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1)[NH+]1CCCCC1	REAL300029512555	0	60	0.0	-71.43	406.54	5.86	-65.57
O=C(NC1CCCN(C(=O)C2C[NH+]3CCC2CC3)CCC1)C1=CC(=O)[N-]O1	REAL300029512563	0	55	0.0	-74.61	385.49	4.69	-69.92
C[NH+]1CCC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)CC1	REAL300029512638	0	54	0.0	-72.10	386.08	4.53	-67.57
CC(C)[C@H](C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1)[NH+](C)C	REAL300029512656	0	56	0.0	-55.46	377.50	4.76	-50.70
CC[NH+](CC)CC(F)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029512742	0	56	0.0	-67.53	403.21	4.80	-62.73
CC(C)C[N@@H+]1CCC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029512774	0	60	0.0	-67.39	432.29	6.12	-61.27
CC(C)C[N@H+]1CCC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029512774	1	60	0.0	-69.95	426.11	5.88	-64.07
C[NH+](C)C1(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)CCC1	REAL300029512778	0	54	0.0	-55.78	350.74	3.24	-52.54
CCC(C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1)[NH+](CC)CC	REAL300029512809	0	59	0.0	-60.19	407.07	5.05	-55.14
CC1CCC[N@@H+]1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029512829	0	54	0.0	-57.33	392.29	4.92	-52.41
CC1CCC[N@H+]1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029512829	1	54	0.0	-62.16	386.93	4.57	-57.59
CC(C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1)[NH+]1CCCCCC1	REAL300029512884	0	60	0.0	-64.19	413.86	5.63	-58.56
CC(C)[N@@H+]1CCCCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029512886	0	60	0.0	-59.22	403.70	5.28	-53.94
CC(C)[N@H+]1CCCCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029512886	1	60	0.0	-55.51	396.91	5.17	-50.34
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029512907	0	57	0.0	-63.50	395.75	5.42	-58.08
CC(C)[N@H+]1CCCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029512907	1	57	0.0	-63.53	395.54	5.40	-58.13
CC(C)[N@@H+]1CCCC1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029512913	0	60	0.0	-61.50	417.86	5.43	-56.07
CC(C)[N@H+]1CCCC1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029512913	1	60	0.0	-59.08	414.76	5.33	-53.75
CC(C)[C@@H](C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1)[NH+](C)C	REAL300029512926	0	56	0.0	-69.62	373.38	4.67	-64.95
CC1CC[N@H+](CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029512946	0	54	0.0	-65.60	394.81	4.87	-60.73
CC1CC[N@@H+](CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029512946	1	54	0.0	-65.79	394.03	4.99	-60.80
CC1(C)CC[N@H+](CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029512950	0	57	0.0	-65.18	413.85	5.44	-59.74
CC1(C)CC[N@@H+](CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029512950	1	57	0.0	-59.28	413.11	5.42	-53.86
C[N@H+](CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1)CC(C)(C)C	REAL300029512951	0	59	0.0	-66.85	417.19	5.64	-61.21
C[N@@H+](CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1)CC(C)(C)C	REAL300029512951	1	59	0.0	-64.78	418.28	5.74	-59.04
CC[C@@H](C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1)[NH+](C)C	REAL300029512959	0	53	0.0	-61.73	377.72	4.23	-57.50
CC1=[NH+]C=CN1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029513149	1	49	0.0	-63.52	376.76	4.77	-58.75
CC(C[NH+]1CCOCC1)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029513150	0	58	0.0	-73.46	415.57	3.72	-69.74
O=C(CCC[NH+]1CCCCC1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029513166	0	60	0.0	-68.34	433.47	6.46	-61.88
C[NH+](C)CC1=CC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)=NO1	REAL300029513181	1	53	0.0	-68.21	401.38	4.61	-63.60
CC1=C(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C=CC2=C[NH+]=CN21	REAL300029513182	0	52	0.0	-71.54	395.16	6.80	-64.74
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029513216	1	55	0.0	-61.08	417.73	5.98	-55.10
O=C(NC1CCCN(C(=O)C2CCCC3CCC[N@@H+]32)CCC1)C1=CC(=O)[N-]O1	REAL300029513247	0	58	0.0	-54.37	400.43	5.25	-49.12
O=C(NC1CCCN(C(=O)C2CCCC3CCC[N@H+]32)CCC1)C1=CC(=O)[N-]O1	REAL300029513247	1	58	0.0	-53.45	407.82	5.72	-47.73
CC[N@@H+]1CCOC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029513264	1	55	0.0	-72.68	391.51	3.86	-68.82
CC[N@H+]1CCOC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029513264	1	55	0.0	-61.94	381.29	3.62	-58.32
O=C(NC1CCCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CCC1)C1=CC(=O)[N-]O1	REAL300029513315	0	49	0.0	-63.86	368.21	6.01	-57.85
CC1=C[NH+]=CN1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029513320	1	49	0.0	-61.70	377.08	5.50	-56.20
C[C@@H]1[C@H](C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)CC[N@@H+]1C	REAL300029513334	0	54	0.0	-60.82	371.04	3.89	-56.93
C[C@@H]1[C@H](C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)CC[N@H+]1C	REAL300029513334	1	54	0.0	-59.73	377.50	4.26	-55.47
CC[C@@H]1[C@@H](C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)CC[N@@H+]1C	REAL300029513338	0	57	0.0	-67.60	392.65	4.59	-63.01
CC[C@@H]1[C@@H](C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)CC[N@H+]1C	REAL300029513338	1	57	0.0	-71.70	401.17	4.96	-66.74
CC1CCC(C)[NH+]1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029513349	0	57	0.0	-58.84	403.91	5.36	-53.48
O=C(CCC[NH+]1CCCC1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029513355	0	57	0.0	-68.28	418.25	5.78	-62.50
C#CC[NH+]1CCC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)CC1	REAL300029513361	0	56	0.0	-73.89	411.32	5.75	-68.14
O=C(CC[NH+]1CCCCC1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029513362	0	57	0.0	-68.63	411.97	5.66	-62.97
CC[N@@H+]1CCCCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029513369	0	57	0.0	-70.20	396.77	5.08	-65.12
CC[N@H+]1CCCCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029513369	1	57	0.0	-70.10	396.70	5.07	-65.03
C[NH+](C)C1(CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)CCCC1	REAL300029513409	0	60	0.0	-71.01	412.39	5.70	-65.31
C[N@H+](CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1)C1CCC1	REAL300029513550	0	54	0.0	-66.32	394.57	5.19	-61.13
C[N@@H+](CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1)C1CCC1	REAL300029513550	1	54	0.0	-62.41	394.81	5.19	-57.22
CC(C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1)[NH+]1C(C)CCC1C	REAL300029513572	0	60	0.0	-60.09	416.60	5.43	-54.66
O=C(CCCC[NH+]1CCCC1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029513584	0	60	0.0	-70.97	438.16	6.46	-64.51
C[NH+]1CCC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)CC1	REAL300029513595	0	54	0.0	-72.10	386.08	4.53	-67.57
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029513636	0	51	0.0	-65.77	362.84	3.50	-62.27
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029513636	1	51	0.0	-62.01	373.38	4.12	-57.89
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029513659	1	53	0.0	-52.32	388.08	4.77	-47.55
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029513659	1	53	0.0	-67.89	396.39	5.22	-62.67
C[N@@H+]1CCCC1CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029513665	0	57	0.0	-68.48	410.13	5.27	-63.21
C[N@H+]1CCCC1CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029513665	1	57	0.0	-59.70	411.57	5.59	-54.11
O=C(NC1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CCC1)C1=CC(=O)[N-]O1	REAL300029513674	0	58	0.0	-62.53	382.34	4.55	-57.98
O=C(NC1CCCN(C(=O)C2CCC3CCCC[N@@H+]32)CCC1)C1=CC(=O)[N-]O1	REAL300029513677	0	58	0.0	-61.27	407.63	5.69	-55.58
O=C(NC1CCCN(C(=O)C2CCC3CCCC[N@H+]32)CCC1)C1=CC(=O)[N-]O1	REAL300029513677	1	58	0.0	-60.61	415.81	6.01	-54.60
CCC[N@@H+]1CCCC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029513746	0	60	0.0	-63.57	417.37	5.77	-57.80
CCC[N@H+]1CCCC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029513746	1	60	0.0	-51.17	415.80	6.24	-44.93
CC(C)[N@@H+]1CCOC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029513761	1	58	0.0	-70.99	408.24	4.36	-66.63
CC(C)[N@H+]1CCOC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029513761	1	58	0.0	-71.13	405.92	4.36	-66.77
C[N@@H+]1CCCCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029513784	0	54	0.0	-61.12	374.32	4.42	-56.70
C[N@H+]1CCCCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029513784	1	54	0.0	-67.13	381.37	4.49	-62.64
CC(C)C[N@@H+]1CCCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029513807	0	60	0.0	-56.37	429.12	6.15	-50.22
CC(C)C[N@H+]1CCCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029513807	1	60	0.0	-64.08	431.87	6.26	-57.82
O=C(C[NH+]1CCC(CO)CC1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029513822	0	58	0.0	-72.51	421.28	2.40	-70.11
CC1C(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)CC[N@@H+]1C	REAL300029513865	0	54	0.0	-59.73	372.94	3.97	-55.76
CC1C(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)CC[N@H+]1C	REAL300029513865	1	54	0.0	-64.98	386.02	4.28	-60.70
C[N@@H+]1CCCCC1CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029513867	0	60	0.0	-61.77	429.41	6.16	-55.61
C[N@H+]1CCCCC1CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029513867	1	60	0.0	-61.07	426.53	6.06	-55.01
NC1=[NH+]C2=C(C=C1C(=O)N1CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC1)CCC2	REAL300029513898	1	54	0.0	-60.43	402.20	3.70	-56.73
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029513956	0	57	0.0	-65.17	390.59	4.38	-60.79
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029513956	1	57	0.0	-66.63	408.64	4.92	-61.71
C[C@@H](C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1)[NH+](C)C	REAL300029513974	0	50	0.0	-63.90	364.49	3.63	-60.27
C=CCC(C)(C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1)[NH+](C)C	REAL300029513991	0	57	0.0	-63.11	383.38	4.36	-58.75
O=C(CC[NH+]1CCCC1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514013	0	54	0.0	-69.15	395.73	4.94	-64.21
C[N@H+](CCO)CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514023	1	51	0.0	-65.08	376.76	0.65	-64.43
C[N@@H+](CCO)CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514023	1	51	0.0	-68.13	376.86	0.63	-67.50
O=C(NC1CCCN(C(=O)C2C[N@@H+]3CCN2CCC3)CCC1)C1=CC(=O)[N-]O1	REAL300029514059	0	57	0.0	-74.21	384.37	2.28	-71.93
O=C(NC1CCCN(C(=O)C2C[N@H+]3CCN2CCC3)CCC1)C1=CC(=O)[N-]O1	REAL300029514059	1	57	0.0	-66.21	390.19	2.28	-63.93
CC(C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1)[NH+]1CCSCC1	REAL300029514080	1	55	0.0	-67.85	403.84	5.15	-62.70
C[N@H+]1CC=C(CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)CC1	REAL300029514112	0	55	0.0	-62.09	407.03	5.56	-56.53
C[N@@H+]1CC=C(CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)CC1	REAL300029514112	1	55	0.0	-61.09	407.04	5.54	-55.55
C[S+](C)CCC(O)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514127	0	53	0.0	-83.47	409.32	2.62	-80.85
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514145	0	55	0.0	-68.79	374.93	0.32	-68.47
C[N@H+]1CC(O)CC1(C)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514145	1	55	0.0	-80.08	383.63	0.58	-79.50
CN1CC[N@H+](C)CC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029514155	0	59	0.0	-69.91	414.75	3.01	-66.90
CN1CC[N@@H+](C)CC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029514155	1	59	0.0	-75.17	413.84	2.43	-72.74
CC(C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1)[N@@H+]1CCCC(O)C1	REAL300029514156	0	58	0.0	-60.24	406.55	1.80	-58.44
CC(C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1)[N@H+]1CCCC(O)C1	REAL300029514156	1	58	0.0	-61.69	407.54	2.08	-59.61
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514183	0	54	0.0	-61.84	400.27	4.28	-57.56
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029514189	0	58	0.0	-61.82	408.50	3.33	-58.49
C[N@H+]1CCCC(O)(CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029514189	1	58	0.0	-62.81	415.48	3.46	-59.35
CC1C[NH+](CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029514194	1	51	0.0	-65.63	379.37	4.29	-61.34
CC[N@@H+]1CCCC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029514201	0	57	0.0	-57.13	399.47	5.34	-51.79
CC[N@H+]1CCCC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029514201	1	57	0.0	-62.27	399.99	5.38	-56.89
NC1=[NH+]C=CC=C1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514207	0	50	0.0	-63.93	382.67	3.07	-60.86
O=C(NC1CCCN(C(=O)C2CCC[N@@H+]2C2CC2)CCC1)C1=CC(=O)[N-]O1	REAL300029514219	0	55	0.0	-61.46	402.52	5.55	-55.91
O=C(NC1CCCN(C(=O)C2CCC[N@H+]2C2CC2)CCC1)C1=CC(=O)[N-]O1	REAL300029514219	1	55	0.0	-63.90	392.87	4.81	-59.09
O=C(C=CC[NH+]1CCCC1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514261	0	55	0.0	-66.41	408.16	5.56	-60.85
O=C(NC1CCCN(C(=O)C2CC[NH+](C3CC3)CC2)CCC1)C1=CC(=O)[N-]O1	REAL300029514282	0	58	0.0	-73.47	416.68	6.01	-67.46
CC[N@H+](C)CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514325	0	50	0.0	-65.06	366.41	3.87	-61.19
O=C(CN1CC2C=CC1C2)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514376	0	53	0.0	-59.30	387.08	5.06	-54.24
O=C(C[N@@H+]1CC2C=CC1C2)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514376	1	53	0.0	-64.98	387.86	5.21	-59.77
O=C(C[N@H+]1CC2C=CC1C2)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514376	1	53	0.0	-64.98	387.86	5.21	-59.77
O=C(NC1CCCN(C(=O)C23CCC[N@@H+]2CCCC3)CCC1)C1=CC(=O)[N-]O1	REAL300029514495	0	58	0.0	-56.18	381.58	4.62	-51.56
O=C(NC1CCCN(C(=O)C23CCC[N@H+]2CCCC3)CCC1)C1=CC(=O)[N-]O1	REAL300029514495	1	58	0.0	-56.18	381.58	4.62	-51.56
O=C(NC1CCCN(C(=O)C23CCC[N@@H+]2CC=CC3)CCC1)C1=CC(=O)[N-]O1	REAL300029514502	0	56	0.0	-54.51	371.31	4.37	-50.14
O=C(NC1CCCN(C(=O)C23CCC[N@H+]2CC=CC3)CCC1)C1=CC(=O)[N-]O1	REAL300029514502	1	56	0.0	-54.51	371.31	4.37	-50.14
CC(OCC[NH+](C)C)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514512	0	57	0.0	-72.67	415.74	4.63	-68.04
C[NH+](C)CCOCCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514521	0	57	0.0	-67.80	425.25	4.05	-63.75
COCCN(C)CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514523	0	54	0.0	-68.80	399.11	3.03	-65.77
COCC[N@H+](C)CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514523	1	54	0.0	-65.23	399.02	3.05	-62.18
COCC[N@@H+](C)CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514523	1	54	0.0	-65.23	399.02	3.05	-62.18
CC(CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1)[NH+](C)C	REAL300029514528	0	56	0.0	-70.94	401.98	4.99	-65.95
CC[N@H+](CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1)C1CC1	REAL300029514553	0	54	0.0	-58.39	391.09	5.09	-53.30
CC1C[N@@H+]2CCN1C(C(=O)N1CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC1)C2	REAL300029514568	0	57	0.0	-84.14	398.02	1.97	-82.17
C[N@@H+]1CC2CC1(C(=O)N1CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC1)C2	REAL300029514591	0	52	0.0	-67.39	358.00	4.19	-63.20
CC1=NC(N)=CC=C1C=CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514600	0	54	0.0	-63.98	410.82	3.81	-60.17
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514600	1	54	0.0	-63.98	410.82	3.81	-60.17
O=C(C[N@@H+]1CC2CCC1C2)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514606	0	55	0.0	-58.89	389.01	5.06	-53.83
O=C(C[N@H+]1CC2CCC1C2)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514606	1	55	0.0	-58.89	389.01	5.06	-53.83
CC(C[NH+](C)C)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514626	0	53	0.0	-68.33	380.23	4.25	-64.08
CCN1CCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514674	0	51	0.0	-68.05	378.35	4.03	-64.02
CC[N@@H+]1CCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514674	1	51	0.0	-56.81	366.27	3.80	-53.01
CC[N@H+]1CCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514674	1	51	0.0	-56.81	366.27	3.80	-53.01
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029514686	0	60	0.0	-51.67	410.72	6.06	-45.61
CC(C)[N@H+]1CCCC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029514686	1	60	0.0	-51.67	410.72	6.06	-45.61
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514701	0	59	0.0	-63.90	399.64	3.28	-60.62
C#CCN1CCCCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514742	0	56	0.0	-54.75	402.03	5.43	-49.32
C#CC[N@H+]1CCCCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514742	1	56	0.0	-52.97	408.03	5.88	-47.09
C#CC[N@@H+]1CCCCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514742	1	56	0.0	-52.97	408.03	5.88	-47.09
CNC1=NC(C)=CC=C1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514743	0	53	0.0	-63.60	398.09	3.55	-60.05
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514743	1	53	0.0	-63.60	398.09	3.55	-60.05
CCCC(C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1)[NH+](C)C	REAL300029514753	0	56	0.0	-62.11	399.78	5.00	-57.11
C[NH+](C)C(C)(C)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514760	0	53	0.0	-76.96	364.82	3.98	-72.98
CC(CC[NH+](C)C)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514778	0	56	0.0	-73.65	401.93	4.76	-68.89
O=C(NC1CCCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CCC1)C1=CC(=O)[N-]O1	REAL300029514845	0	56	0.0	-73.44	404.25	5.70	-67.74
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514879	0	57	0.0	-64.34	398.65	4.70	-59.64
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514879	1	57	0.0	-72.13	403.29	4.51	-67.62
C[NH+](C)CCCCCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514884	0	59	0.0	-71.44	435.28	6.17	-65.27
O=C(CC[NH+]1CCC(O)CC1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514888	0	58	0.0	-70.58	423.52	2.35	-68.23
CCC[N@@H+]1CCCCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514892	0	60	0.0	-56.28	413.37	5.50	-50.78
CCC[N@H+]1CCCCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514892	1	60	0.0	-56.27	413.39	5.51	-50.76
C[NH+]1CCN(CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)CC1	REAL300029514901	1	56	0.0	-65.71	407.48	2.67	-63.04
CC1C[N@H+](C)CC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)O1	REAL300029514994	1	55	0.0	-86.98	396.01	4.15	-82.83
CC1C[N@@H+](C)CC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)O1	REAL300029514994	1	55	0.0	-86.89	396.07	4.17	-82.72
CCC1CCC[N@H+](CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029515026	0	60	0.0	-65.98	429.62	6.33	-59.65
CCC1CCC[N@@H+](CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029515026	1	60	0.0	-63.11	421.65	5.88	-57.23
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)N1	REAL300029515034	0	55	0.0	-82.39	406.54	5.13	-77.26
O=C(C[NH+]1CC2CC2C1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029515049	0	52	0.0	-66.11	384.64	5.09	-61.02
O=C(CC1([NH+]2CCCC2)CC1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029515062	0	58	0.0	-56.23	414.33	5.96	-50.27
C[N@@H+]1CCCCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029515099	0	54	0.0	-61.12	374.32	4.42	-56.70
C[N@H+]1CCCCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029515099	1	54	0.0	-67.13	381.37	4.49	-62.64
C[N@@H+]1CCC(=CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029515214	0	52	0.0	-75.41	384.75	4.63	-70.78
C[N@H+]1CCC(=CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029515214	1	52	0.0	-64.35	383.47	4.72	-59.63
O=C(CNC1=CC=[NH+]C=C1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029515219	0	50	0.0	-69.70	384.16	2.50	-67.20
CC[NH+]1CCN(CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)CC1	REAL300029515273	0	59	0.0	-63.42	425.53	3.40	-60.02
O=C(C=C1C[NH+]2CCC1CC2)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029515276	0	56	0.0	-60.14	402.23	5.55	-54.59
C[NH+](C)C1(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)CCCC1	REAL300029515311	0	57	0.0	-58.12	381.44	4.66	-53.46
C[N@H+](CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1)[C@@H]1CCC[C@H]1O	REAL300029515322	0	58	0.0	-59.92	419.25	2.61	-57.31
C[N@@H+](CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1)[C@@H]1CCC[C@H]1O	REAL300029515322	1	58	0.0	-64.79	419.60	2.41	-62.38
CCC1C[NH+](CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029515326	0	54	0.0	-66.72	401.01	5.08	-61.64
O=C(NC1CCCN(C(=O)C2([NH+]3CCCC3)CCC2)CCC1)C1=CC(=O)[N-]O1	REAL300029515330	0	58	0.0	-66.01	383.31	4.97	-61.04
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029515344	0	51	0.0	-67.50	369.57	3.91	-63.59
C[N@H+]1CCC[C@H]1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029515344	1	51	0.0	-64.09	359.27	3.50	-60.59
CC[N@@H+]1CCOCC1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029515372	0	58	0.0	-68.05	411.89	3.58	-64.47
NC1=NC2=CC(C(=O)N3CCCC(NC(=O)C4=CC(=O)[N-]O4)CCC3)=CC=C2N1	REAL300029515453	0	51	0.0	-69.63	385.30	3.95	-65.68
NC1=[NH+]C2=CC(C(=O)N3CCCC(NC(=O)C4=CC(=O)[N-]O4)CCC3)=CC=C2N1	REAL300029515453	1	51	0.0	-69.63	385.30	3.95	-65.68
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029515487	0	54	0.0	-72.70	397.38	4.96	-67.74
C[NH+](C)C1CCC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)CC1	REAL300029515501	0	60	0.0	-77.36	426.02	5.84	-71.52
C[NH+](C)CCC1(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)CC1	REAL300029515502	0	57	0.0	-61.64	404.16	5.36	-56.28
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)CC1	REAL300029515504	0	60	0.0	-72.05	416.31	5.60	-66.45
C[N@@H+]1CC=CCC1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029515505	0	55	0.0	-63.50	396.33	5.17	-58.33
C[N@H+]1CC=CCC1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029515505	1	55	0.0	-63.50	396.33	5.17	-58.33
CC1=CC(C=CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)=CN=C1N	REAL300029515553	0	54	0.0	-66.26	411.03	4.12	-62.14
CC1=CC(C=CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)=C[NH+]=C1N	REAL300029515553	1	54	0.0	-66.26	411.03	4.12	-62.14
C[NH+](C)CCOCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029515565	0	54	0.0	-69.83	404.31	4.33	-65.50
CCCCC[N@H+](C)CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029515571	0	62	0.0	-70.33	453.02	6.80	-63.53
CCCCC[N@@H+](C)CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029515571	1	62	0.0	-70.33	453.02	6.80	-63.53
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)O1	REAL300029515582	0	58	0.0	-64.22	423.79	4.97	-59.25
[NH2+]=C1SC=CN1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029515606	0	47	0.0	-63.13	375.51	3.40	-59.73
C[C@@H](OCC[NH+](C)C)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029515675	0	57	0.0	-72.19	412.32	4.51	-67.68
O=C(CC[NH+]1CCCCCC1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029515713	0	60	0.0	-68.83	422.43	5.88	-62.95
O=C(C[NH+]1CCCCC1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029515717	0	54	0.0	-65.83	390.38	5.08	-60.75
C[N@@H+]1CCCC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029515719	0	54	0.0	-67.02	391.56	4.69	-62.33
C[N@H+]1CCCC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029515719	1	54	0.0	-68.83	391.90	4.77	-64.06
O=C(C[NH+]1CCC(CO)CC1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029515720	0	58	0.0	-72.51	421.28	2.40	-70.11
O=C(C[NH+]1CCCCCC1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029515721	0	57	0.0	-64.26	399.79	5.25	-59.01
CN1C=C[N+](CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)=C1	REAL300029515726	0	49	0.0	-67.06	379.32	6.73	-60.33
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)O1	REAL300029515742	1	54	0.0	-72.10	405.78	4.99	-67.11
O=C(C[NH+]1CCC(O)CC1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029515758	1	55	0.0	-71.91	400.81	1.73	-70.18
C[N@@H+](CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1)C1CC1	REAL300029515763	1	51	0.0	-62.61	378.08	4.63	-57.98
CC(C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1)N1CC[NH+](C)CC1	REAL300029515765	1	59	0.0	-63.42	423.20	3.16	-60.26
O=C(CC[N@@H+]1CCC(F)C1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029515767	1	54	0.0	-74.48	402.99	5.05	-69.43
COC1C[N@@H+](C)C(C)(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029515777	1	58	0.0	-70.90	389.35	2.92	-67.98
CC(CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1)C[NH+](C)C	REAL300029515794	0	56	0.0	-76.80	405.51	5.24	-71.56
O=C(NC1CCCN(C(=O)C2CC[N@@H+]3CCOCC23)CCC1)C1=CC(=O)[N-]O1	REAL300029515809	0	56	0.0	-75.49	406.28	3.48	-72.01
O=C(NC1CCCN(C(=O)C2CC[N@H+]3CCOCC23)CCC1)C1=CC(=O)[N-]O1	REAL300029515809	1	56	0.0	-75.43	406.24	3.47	-71.96
CC1=[NH+]C=C2C=CC(C(=O)N3CCCC(NC(=O)C4=CC(=O)[N-]O4)CCC3)=CN21	REAL300029515814	0	52	0.0	-61.34	389.62	5.79	-55.55
CN1CCOCC1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029515828	0	55	0.0	-67.01	395.78	2.93	-64.08
C[N@@H+]1CCOCC1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029515828	1	55	0.0	-68.08	391.69	2.89	-65.19
C[N@H+]1CCOCC1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029515828	1	55	0.0	-67.01	395.78	2.93	-64.08
CC[NH+]1CCN(CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)CC1	REAL300029515836	0	59	0.0	-63.42	425.53	3.40	-60.02
CC1=CC(N)=[NH+]C=C1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029515888	1	50	0.0	-75.51	378.01	2.46	-73.05
NC1=CC=C(CCC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C=[NH+]1	REAL300029515891	0	53	0.0	-69.98	407.44	3.76	-66.22
CC1(O)CC[N@H+](CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029515930	0	55	0.0	-64.89	404.63	1.62	-63.27
CC1(O)CC[N@@H+](CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029515930	1	55	0.0	-63.44	404.12	1.60	-61.84
C[NH+]1CC(CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029515964	0	51	0.0	-65.49	379.46	4.01	-61.48
O=C(NC1CCCN(C(=O)C2CC[N@@H+]2C2CCCC2)CCC1)C1=CC(=O)[N-]O1	REAL300029515969	0	58	0.0	-69.55	419.61	6.11	-63.44
O=C(NC1CCCN(C(=O)C2CC[N@H+]2C2CCCC2)CCC1)C1=CC(=O)[N-]O1	REAL300029515969	1	58	0.0	-59.88	405.52	5.41	-54.47
C[NH+](C)CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029515977	0	47	0.0	-66.61	348.66	3.21	-63.40
C[N@H+](CCO)CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029516005	0	54	0.0	-71.48	398.45	1.27	-70.21
C[N@@H+](CCO)CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029516005	1	54	0.0	-67.06	398.79	1.28	-65.78
C[C@@H](C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1)[NH+](C)C	REAL300029516006	0	50	0.0	-63.90	364.49	3.63	-60.27
C[N@@H+]1CCCCC1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029516026	0	57	0.0	-63.94	406.90	5.41	-58.53
C[N@H+]1CCCCC1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029516026	1	57	0.0	-63.41	404.40	5.30	-58.11
CC1=C2C=C(C(=O)N3CCCC(NC(=O)C4=CC(=O)[N-]O4)CCC3)C=CN2C=[NH+]1	REAL300029516046	1	52	0.0	-68.14	390.41	6.59	-61.55
CC(C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1)[NH+]1CC(C)C1	REAL300029516047	0	54	0.0	-66.27	387.78	4.47	-61.80
CC1CC[N@@H+]1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029516051	1	51	0.0	-63.65	374.22	4.02	-59.63
CC1CC[N@H+]1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029516051	1	51	0.0	-63.97	374.13	4.02	-59.95
C[NH+](C)CC=CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029516064	0	51	0.0	-68.45	383.07	4.39	-64.06
CC1(C)C[NH+](CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C1	REAL300029516077	1	54	0.0	-66.19	398.73	4.78	-61.41
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)N1	REAL300029516095	1	55	0.0	-64.34	418.24	4.56	-59.78
CC1=C2C=C(C(=O)N3CCCC(NC(=O)C4=CC(=O)[N-]O4)CCC3)C=CN2C=[NH+]1	REAL300029516106	1	52	0.0	-68.14	390.41	6.59	-61.55
C[NH+](C)CCSCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029516115	0	54	0.0	-75.61	415.34	5.24	-70.37
O=C(C[N@H+]1CCCC1CO)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029516140	0	55	0.0	-57.48	402.69	1.72	-55.76
O=C(C[N@@H+]1CCCC1CO)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029516140	1	55	0.0	-57.40	401.02	1.77	-55.63
CC[NH+](CC)CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029516144	0	53	0.0	-65.61	384.31	4.56	-61.05
C[N@H+](CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1)C1CCSC1	REAL300029516154	0	55	0.0	-71.46	409.39	5.44	-66.02
C[N@@H+](CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1)C1CCSC1	REAL300029516154	1	55	0.0	-69.48	408.02	5.44	-64.04
O=C(C[NH+]1CCC1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029516156	1	48	0.0	-67.80	358.33	3.71	-64.09
CC[NH+](CC)CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029516202	0	56	0.0	-63.28	403.15	5.06	-58.22
C[NH+](C)CC1=CNC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)=C1	REAL300029516264	0	55	0.0	-73.12	406.38	5.04	-68.08
CC(C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1)[NH+]1CCC(O)CC1	REAL300029516281	0	58	0.0	-64.89	410.71	1.86	-63.03
O=C(NC1CCCN(C(=O)C2CC3COCC[N@@H+]3C2)CCC1)C1=CC(=O)[N-]O1	REAL300029516287	0	56	0.0	-72.68	402.43	3.36	-69.32
O=C(NC1CCCN(C(=O)C2CC3COCC[N@H+]3C2)CCC1)C1=CC(=O)[N-]O1	REAL300029516287	1	56	0.0	-66.87	403.23	3.40	-63.47
CC(C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1)[NH+]1CCC1	REAL300029516301	1	51	0.0	-62.23	374.73	4.04	-58.19
CCC(CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1)C[NH+](C)C	REAL300029516307	0	59	0.0	-70.47	423.30	5.87	-64.60
NC1=CC=C(C=CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C=[NH+]1	REAL300029516314	0	51	0.0	-66.12	393.29	3.38	-62.74
C[NH+](C)CC(C)(C)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029516315	0	56	0.0	-56.00	375.39	4.12	-51.88
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029516373	0	54	0.0	-63.65	376.77	4.30	-59.35
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029516373	1	54	0.0	-58.73	387.48	4.71	-54.02
CC1CN2CC[N@@H+]1CC2C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029516387	0	57	0.0	-80.54	396.28	1.69	-78.85
CC1CN2CC[N@H+]1CC2C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029516387	1	57	0.0	-73.52	397.71	1.87	-71.65
C[NH+](C)CC(O)CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029516408	0	54	0.0	-72.66	401.22	2.09	-70.57
C[NH+]1C2CCC1CC(C(=O)N1CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC1)C2	REAL300029516411	0	58	0.0	-64.29	403.68	5.18	-59.11
C=CCC(C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1)[NH+](C)C	REAL300029516443	0	54	0.0	-66.48	386.73	4.57	-61.91
O=C(NC1CCCN(C(=O)C2CC3CCCC[N@@H+]3C2)CCC1)C1=CC(=O)[N-]O1	REAL300029516451	0	58	0.0	-65.27	415.39	5.86	-59.41
O=C(NC1CCCN(C(=O)C2CC3CCCC[N@H+]3C2)CCC1)C1=CC(=O)[N-]O1	REAL300029516451	1	58	0.0	-65.71	412.12	5.79	-59.92
C[NH+]1CCC(C)(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)CC1	REAL300029516462	0	57	0.0	-56.32	379.92	4.28	-52.04
C[NH+]1CCC(O)(CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)CC1	REAL300029516464	0	58	0.0	-65.45	415.85	3.64	-61.81
CC1=C2C=C(C(=O)NC3CCCN(C(=O)C4=CC(=O)[N-]O4)CCC3)C=CN2C=[NH+]1	REAL300029516540	1	52	0.0	-84.54	394.68	7.04	-77.50
C[NH+](C)CCSCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029516549	0	54	0.0	-84.33	409.26	4.90	-79.43
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1CC2COCC[N@@H+]2C1	REAL300029516557	0	56	0.0	-69.33	400.75	3.32	-66.01
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1CC2COCC[N@H+]2C1	REAL300029516557	1	56	0.0	-68.22	400.48	3.27	-64.95
C[C@@H](NC(=O)C1CCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029516702	0	45	0.0	-68.42	354.32	1.78	-66.64
C[C@@H](NC(=O)C1CCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029516702	1	45	0.0	-71.11	354.24	1.78	-69.33
C[C@@H](NC(=O)C1C[N@H+](C)CCO1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029516726	1	46	0.0	-76.08	365.77	1.64	-74.44
C[C@@H](NC(=O)C1C[N@@H+](C)CCO1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029516726	1	46	0.0	-82.87	373.22	1.73	-81.14
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029516928	1	52	0.0	-65.49	419.91	4.38	-61.11
CC(C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300029516936	0	54	0.0	-67.43	404.44	3.66	-63.77
CC(C)[N@@H+]1CCCCC1C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029516939	0	54	0.0	-68.01	402.83	3.84	-64.17
CC(C)[N@H+]1CCCCC1C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029516939	1	54	0.0	-65.16	401.19	3.80	-61.36
CC(C)[N@@H+]1CCCC1C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029516975	0	51	0.0	-65.91	393.45	3.34	-62.57
CC(C)[N@H+]1CCCC1C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029516975	1	51	0.0	-66.78	386.68	3.44	-63.34
C[C@@H](NC(=O)C1CC2CCCC[N@@H+]2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517005	0	52	0.0	-69.41	401.89	3.92	-65.49
C[C@@H](NC(=O)C1CC2CCCC[N@H+]2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517005	1	52	0.0	-68.37	401.80	3.95	-64.42
CC(C)C1=[NH+]C=CN1CC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517045	1	49	0.0	-66.41	400.15	3.97	-62.44
CC1=[NH+]C=CN1CC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517107	1	43	0.0	-68.01	363.93	2.84	-65.17
CC(C[NH+]1CCOCC1)C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517109	0	52	0.0	-72.55	405.83	1.91	-70.64
C[C@@H](NC(=O)CCC[NH+]1CCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517132	0	54	0.0	-71.60	419.55	4.43	-67.17
C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517173	0	54	0.0	-68.18	403.96	4.24	-63.94
C[C@@H](NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517176	0	58	0.0	-70.95	440.95	5.15	-65.80
C[C@@H](NC(=O)C1CC[N@H+](C2CCCCC2)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517176	1	58	0.0	-71.95	439.79	5.10	-66.85
C[C@@H](NC(=O)C1C[NH+]2CCC1CC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517194	0	49	0.0	-77.28	375.90	3.03	-74.25
C[C@@H](NC(=O)C1CCCC2CCC[N@@H+]21)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517261	0	52	0.0	-64.34	399.02	3.99	-60.35
C[C@@H](NC(=O)C1CCCC2CCC[N@H+]21)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517261	1	52	0.0	-63.95	398.88	4.00	-59.95
C[C@@H](NC(=O)C1=CN(CC[NH+](C)C)N=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517264	0	51	0.0	-79.63	418.53	2.72	-76.91
C[C@@H](NC(=O)C1=NN(CC[NH+](C)C)C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517281	0	51	0.0	-81.77	418.91	2.75	-79.02
C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517289	0	48	0.0	-74.05	373.36	2.49	-71.56
C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517289	1	48	0.0	-70.99	377.52	2.52	-68.47
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517293	1	52	0.0	-65.59	420.46	4.45	-61.14
CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029517296	0	51	0.0	-70.75	391.68	2.90	-67.85
CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029517296	1	51	0.0	-70.01	389.38	3.22	-66.79
CC[N@@H+]1CCOC(C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029517326	1	49	0.0	-76.96	383.53	2.11	-74.85
CC[N@H+]1CCOC(C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029517326	1	49	0.0	-75.65	382.28	2.17	-73.48
CC[NH+](CC)CC(F)C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517402	0	50	0.0	-69.54	393.76	2.97	-66.57
C[C@@H](NC(=O)C1=C(C[NH+](C)C)C=CS1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517403	0	48	0.0	-65.38	399.91	3.81	-61.57
C[C@@H](NC(=O)C[NH+]1C(C)CCC1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517532	0	51	0.0	-67.12	391.62	3.18	-63.94
C[C@@H](NC(=O)CCC[NH+]1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517543	0	51	0.0	-71.36	404.33	3.76	-67.60
C[C@@H](NC(=O)C1=CC=CC(C[NH+](C)C)=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517544	0	51	0.0	-74.75	412.38	4.72	-70.03
C#CC[NH+]1CCC(C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029517554	0	50	0.0	-75.41	403.74	4.04	-71.37
C[C@@H](NC(=O)CC[NH+]1CCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517556	0	51	0.0	-71.43	398.50	3.64	-67.79
C[C@@H](NC(=O)C1=CC=CC=C1C[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517560	0	51	0.0	-64.79	405.07	4.95	-59.84
CC[N@@H+]1CCCCC1C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517572	0	51	0.0	-67.69	384.85	3.24	-64.45
CC[N@H+]1CCCCC1C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517572	1	51	0.0	-66.72	384.58	3.29	-63.43
CC(C)C(C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029517573	0	57	0.0	-68.38	426.25	5.03	-63.35
C[C@@H](NC(=O)C(C1=CC=CC=C1)[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517577	1	51	0.0	-70.90	409.20	4.65	-66.25
CC(C)C[N@@H+]1CCC(C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029517604	0	54	0.0	-70.79	418.81	4.21	-66.58
CC(C)C[N@H+]1CCC(C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029517604	1	54	0.0	-72.16	420.18	4.06	-68.10
C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517608	0	48	0.0	-74.62	368.63	2.39	-72.23
C[C@@H](NC(=O)C1CCC[N@@H+]1C1CCOCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517611	0	56	0.0	-70.24	426.25	2.72	-67.52
C[C@@H](NC(=O)C1CCC[N@H+]1C1CCOCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517611	1	56	0.0	-72.00	408.44	2.34	-69.66
C[C@@H](NC(=O)C(CN1C=CC=N1)[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517613	1	51	0.0	-68.37	407.35	2.51	-65.86
CC(C)[N@@H+]1CCCC1CC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517620	0	54	0.0	-68.82	412.83	3.86	-64.96
CC(C)[N@H+]1CCCC1CC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517620	1	54	0.0	-68.91	404.13	3.40	-65.51
C[C@@H](NC(=O)C1CCC[N@@H+]1C1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517621	0	55	0.0	-68.72	410.67	4.45	-64.27
C[C@@H](NC(=O)C1CCC[N@H+]1C1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517621	1	55	0.0	-68.49	410.76	5.15	-63.34
CC(C)[C@@H](C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029517651	0	50	0.0	-67.18	378.44	2.78	-64.40
C[C@@H](NC(=O)C[N@H+](C)C1CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517724	0	48	0.0	-71.91	381.58	3.33	-68.58
C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517724	1	48	0.0	-69.03	380.72	3.22	-65.81
CC(C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300029517829	0	54	0.0	-64.62	403.85	3.73	-60.89
C[C@@H](NC(=O)CCN(C)C1=CC=[NH+]C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517914	0	50	0.0	-66.66	409.24	2.89	-63.77
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517928	1	47	0.0	-67.59	381.14	3.01	-64.58
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517928	1	47	0.0	-71.19	388.23	3.55	-67.64
C[C@@H](NC(=O)CCC1CCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517940	0	51	0.0	-72.68	397.38	3.37	-69.31
C[C@@H](NC(=O)CCC1CCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517940	1	51	0.0	-75.33	403.24	3.77	-71.56
C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517957	0	52	0.0	-71.23	391.89	3.43	-67.80
C[C@@H](NC(=O)C1CCC2CCCC[N@@H+]21)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517965	0	52	0.0	-65.61	402.31	4.20	-61.41
C[C@@H](NC(=O)C1CCC2CCCC[N@H+]21)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517965	1	52	0.0	-65.27	402.03	4.18	-61.09
C[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517977	0	55	0.0	-70.33	415.30	2.32	-68.01
CC[NH+](CC)CC1=CC=C(C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029517994	0	54	0.0	-75.35	430.05	4.14	-71.21
C[C@@H](NC(=O)CCCC[NH+]1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517999	0	54	0.0	-71.82	425.82	4.54	-67.28
C[C@@H](NC(=O)C[N@H+](C)CC1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518002	1	51	0.0	-74.75	411.16	4.83	-69.92
C[C@@H](NC(=O)C[N@@H+](C)CC1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518002	1	51	0.0	-75.06	411.15	4.83	-70.23
C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518020	0	48	0.0	-75.05	379.07	2.89	-72.16
C[C@@H](NC(=O)C1=NOC(C[NH+](C)C)=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518093	1	47	0.0	-79.33	392.30	2.21	-77.12
CC1=C(C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300029518095	0	46	0.0	-70.13	386.55	4.96	-65.17
C[C@@H](NC(=O)C1CCCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518154	0	48	0.0	-70.43	377.80	2.88	-67.55
C[C@@H](NC(=O)C1CCCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518154	1	48	0.0	-68.82	361.02	2.43	-66.39
CC(C)C[N@@H+]1CCCC1C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518191	0	54	0.0	-66.98	419.39	4.31	-62.67
CC(C)C[N@H+]1CCCC1C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518191	1	54	0.0	-67.85	403.51	4.28	-63.57
C[C@@H](NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518380	0	43	0.0	-71.95	364.39	4.76	-67.19
CC1=[NH+]C=CN1CCCC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518396	1	49	0.0	-68.96	405.45	4.05	-64.91
C[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518400	1	55	0.0	-74.96	432.76	2.83	-72.13
C[C@@H](NC(=O)C1=CC=C(C[NH+](C)C)C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518406	0	51	0.0	-78.90	412.69	4.72	-74.18
C[C@@H](NC(=O)CC[NH+]1CCOCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518407	1	49	0.0	-74.43	389.75	1.16	-73.27
C[C@@H](NC(=O)C(C)(C1=CC=CC=C1)[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518429	0	54	0.0	-73.45	410.03	4.71	-68.74
CCC[NH+](CCC)CCCC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518437	0	59	0.0	-71.77	452.58	5.15	-66.62
CC[N@H+](C)C(C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029518438	0	54	0.0	-69.51	427.66	5.37	-64.14
CC[N@@H+](C)C(C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029518438	1	54	0.0	-65.89	427.89	5.35	-60.54
CC1=C[NH+]=CN1CC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518465	1	43	0.0	-69.57	363.21	3.53	-66.04
C[C@@H](NC(=O)CN1C=[NH+]C2=C1CCCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518479	1	50	0.0	-68.43	406.10	5.31	-63.12
C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518527	0	57	0.0	-69.05	418.77	4.82	-64.23
C[C@@H](NC(=O)C1=CC=CC=C1CC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518528	0	54	0.0	-65.12	426.32	5.49	-59.63
C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518535	0	57	0.0	-72.88	432.91	4.82	-68.06
C[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518535	1	57	0.0	-72.36	432.92	4.75	-67.61
C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518541	0	49	0.0	-71.77	379.00	3.23	-68.54
C[C@@H](NC(=O)C1CCCC([NH+](C)C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518585	0	54	0.0	-67.26	406.80	3.89	-63.37
C[C@@H](NC(=O)CC1CC[N@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518592	0	48	0.0	-76.05	381.82	2.94	-73.11
C[C@@H](NC(=O)CC1CC[N@@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518592	1	48	0.0	-72.47	381.04	2.83	-69.64
C[C@@H](NC(=O)C1=C[NH+]=CC=C1N(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518606	0	47	0.0	-76.64	385.26	2.06	-74.58
CCC(C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029518612	0	47	0.0	-70.04	367.10	2.39	-67.65
C[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518637	0	54	0.0	-72.89	398.07	3.64	-69.25
C[C@@H](NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518716	1	43	0.0	-75.46	364.66	4.75	-70.71
C[C@@H](NC(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518765	1	46	0.0	-80.25	393.92	2.70	-77.55
C[C@@H](NC(=O)CCCC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518801	0	50	0.0	-73.26	399.86	3.38	-69.88
CC(C)C(C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029518826	0	50	0.0	-70.15	383.49	3.45	-66.70
CCC[N@H+](C)CCC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518828	0	50	0.0	-72.59	396.09	3.18	-69.41
CCC[N@@H+](C)CCC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518828	1	50	0.0	-72.76	396.09	3.18	-69.58
CCC[N@H+](C)CC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518835	0	47	0.0	-70.92	373.72	2.63	-68.29
CCC[N@@H+](C)CC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518835	1	47	0.0	-70.78	373.72	2.65	-68.13
C[C@@H](NC(=O)C12CC[N@H+](C1)CCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518868	0	49	0.0	-72.06	375.96	2.46	-69.60
C[C@@H](NC(=O)C12CC[N@@H+](C1)CCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518868	1	49	0.0	-74.06	377.09	2.57	-71.49
C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518944	0	45	0.0	-68.05	359.59	2.30	-65.75
C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518944	1	45	0.0	-71.05	354.45	1.78	-69.27
C[C@@H](NC(=O)C1CCC2CC(C)C[N@@H+]2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518975	0	55	0.0	-68.10	422.42	4.49	-63.61
C[C@@H](NC(=O)C1CCC2CC(C)C[N@H+]2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518975	1	55	0.0	-68.94	422.36	4.55	-64.39
CCCCCC[N@H+](C)CC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519035	0	56	0.0	-72.09	438.22	4.98	-67.11
CCCCCC[N@@H+](C)CC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519035	1	56	0.0	-71.91	438.22	4.98	-66.93
CC[NH+](CC)C(C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300029519047	0	56	0.0	-64.73	415.01	4.47	-60.26
CC[NH+](CC)CC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519060	0	47	0.0	-69.02	366.08	2.32	-66.70
CCC[N@@H+]1CCCC(C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029519093	0	54	0.0	-65.94	411.96	4.47	-61.47
CCC[N@H+]1CCCC(C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029519093	1	54	0.0	-70.04	417.95	4.26	-65.78
C[C@@H](NC(=O)C1CCCC[N@@H+]1C1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519106	0	58	0.0	-65.79	431.34	4.93	-60.86
C[C@@H](NC(=O)C1CCCC[N@H+]1C1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519106	1	58	0.0	-68.61	428.52	5.20	-63.41
CC(C)[N@@H+]1CCOC(C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029519119	1	52	0.0	-77.77	406.21	2.84	-74.93
CC(C)[N@H+]1CCOC(C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029519119	1	52	0.0	-73.67	399.35	2.69	-70.98
C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519163	0	51	0.0	-71.01	397.47	3.74	-67.27
C[C@@H](NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519197	1	46	0.0	-79.90	395.15	2.71	-77.19
C[C@@H](NC(=O)COC1CC[NH+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519207	0	52	0.0	-77.35	414.44	3.32	-74.03
C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519227	0	48	0.0	-75.34	381.97	2.90	-72.44
CC1=[NH+]C=C2CCC(C(=O)N[C@H](C)C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300029519228	1	50	0.0	-68.13	403.06	4.08	-64.05
CC(C)[NH+]1CCC(C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029519340	0	54	0.0	-72.47	413.38	4.08	-68.39
C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519372	0	48	0.0	-75.05	379.07	2.89	-72.16
CC(C)[C@H](C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029519395	0	50	0.0	-70.18	383.28	3.45	-66.73
CCC(C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029519435	0	53	0.0	-64.80	397.08	3.26	-61.54
CC[N@H+](C)CCC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519539	0	47	0.0	-71.89	374.59	2.46	-69.43
CC[N@@H+](C)CCC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519539	1	47	0.0	-72.00	374.59	2.44	-69.56
C[C@@H](NC(=O)C[N@@H+]1CCCC1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519628	0	48	0.0	-67.69	372.88	2.60	-65.09
C[C@@H](NC(=O)C[N@H+]1CCCC1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519628	1	48	0.0	-67.57	372.90	2.61	-64.96
C[C@@H](NC(=O)C[N@@H+]1CCC(C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519631	0	48	0.0	-69.95	379.81	2.84	-67.11
C[C@@H](NC(=O)C[N@H+]1CCC(C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519631	1	48	0.0	-69.71	380.48	2.88	-66.83
C[C@@H](NC(=O)C1(F)CC[N@@H+](C(C)(C)C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519632	0	54	0.0	-68.68	416.34	3.51	-65.17
C[C@@H](NC(=O)C1(F)CC[N@H+](C(C)(C)C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519632	1	54	0.0	-65.08	416.07	3.54	-61.54
CC1=[NH+]C=C2CC(C(=O)N[C@H](C)C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300029519634	1	50	0.0	-69.26	403.46	3.98	-65.28
C[C@@H](NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519636	0	54	0.0	-79.85	435.14	5.56	-74.29
C[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519638	0	51	0.0	-70.18	399.51	3.45	-66.73
C[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519638	1	51	0.0	-70.32	399.65	3.46	-66.86
C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519639	0	53	0.0	-70.24	404.27	3.78	-66.46
C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519639	1	53	0.0	-70.79	402.33	3.64	-67.15
C[C@@H](NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519640	0	54	0.0	-74.81	433.63	5.66	-69.15
C[C@@H](NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519640	1	54	0.0	-74.99	433.63	5.65	-69.34
CC[C@@H](C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029519652	0	47	0.0	-67.30	364.88	2.22	-65.08
CC(COCC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300029519660	0	55	0.0	-70.11	433.07	3.98	-66.13
C[C@@H](NC(=O)C1CC[NH+](CC2CC2)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519777	0	55	0.0	-77.47	429.22	5.22	-72.25
C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519840	0	55	0.0	-73.17	437.61	5.59	-67.58
C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519840	1	55	0.0	-77.95	438.67	5.52	-72.43
C[C@@H](NC(=O)CC1(O)CC[NH+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519951	0	52	0.0	-73.71	404.78	1.52	-72.19
COCC[N@@H+]1CCCC1CC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519960	0	55	0.0	-73.39	425.08	2.60	-70.79
COCC[N@H+]1CCCC1CC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519960	1	55	0.0	-64.16	428.03	2.80	-61.36
C[C@@H](NC(=O)C[NH+]1CCC(CO)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519973	0	52	0.0	-72.49	408.30	0.41	-72.08
C[C@@H](NC(=O)C[NH+]1CCCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519977	0	51	0.0	-70.54	385.56	3.21	-67.33
C[C@@H](NC(=O)C[N+]1=CN(C)C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519982	0	43	0.0	-69.27	365.73	4.75	-64.52
C[C@@H](NC(=O)C1CCC[N@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519995	0	48	0.0	-70.95	379.07	2.85	-68.10
C[C@@H](NC(=O)C1CCC[N@@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519995	1	48	0.0	-71.62	378.79	2.85	-68.77
C[C@@H](NC(=O)C1CCC[N@@H+]1C1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520000	0	49	0.0	-67.10	386.90	3.23	-63.87
C[C@@H](NC(=O)C1CCC[N@H+]1C1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520000	1	49	0.0	-65.58	386.94	3.53	-62.05
CC(C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029520041	1	45	0.0	-67.95	362.38	2.30	-65.65
CCC(CC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029520053	0	53	0.0	-72.30	405.52	3.72	-68.58
C[C@@H](NC(=O)C(C)(C)C[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520062	0	50	0.0	-70.88	381.71	2.84	-68.04
C[C@@H](NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520086	0	50	0.0	-71.28	394.01	3.99	-67.29
C[C@@H](NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520086	1	50	0.0	-69.94	389.35	4.23	-65.71
C[C@@H](NC(=O)C[NH+]1CCC(O)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520114	1	49	0.0	-74.75	387.71	-0.24	-74.99
C[C@@H](NC(=O)C[N@H+](C)C1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520116	0	45	0.0	-68.46	363.90	2.64	-65.82
C[C@@H](NC(=O)C[N@@H+](C)C1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520116	1	45	0.0	-68.16	363.77	2.64	-65.52
CC(C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300029520117	1	53	0.0	-69.86	405.18	1.05	-68.81
C[C@@H](NC(=O)CC1C[NH+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520153	0	45	0.0	-70.79	365.93	1.98	-68.81
C[C@@H](NC(=O)C1CC[N@@H+]1C1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520157	0	52	0.0	-72.06	401.93	3.77	-68.29
C[C@@H](NC(=O)C1CC[N@H+]1C1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520157	1	52	0.0	-73.25	406.45	4.05	-69.20
C[C@@H](NC(=O)C1CC[N@@H+]1C(C)(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520166	0	51	0.0	-68.19	380.27	2.27	-65.92
C[C@@H](NC(=O)C1CC[N@H+]1C(C)(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520166	1	51	0.0	-67.19	378.37	2.74	-64.45
C[C@@H](NC(=O)C1CCN(C2=CC=[NH+]C=C2)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520179	0	51	0.0	-69.07	413.19	1.92	-67.15
C[C@@H](NC(=O)[C@H](C)[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520183	0	44	0.0	-68.42	352.33	1.64	-66.78
CCC1CCC[N@H+](CC(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029520242	0	54	0.0	-70.93	415.20	4.36	-66.57
CCC1CCC[N@@H+](CC(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029520242	1	54	0.0	-70.92	415.29	4.34	-66.58
C[C@@H](NC(=O)C1=CC=C(C[NH+](C)C)N1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520252	0	49	0.0	-80.21	401.08	2.40	-77.81
C[C@@H](NC(=O)CC1CC2CCC(C1)[NH+]2C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520269	0	55	0.0	-68.81	400.17	3.68	-65.13
C[C@@H](NC(=O)CC(C1=CC=CC=C1)[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520276	0	54	0.0	-74.57	424.71	5.25	-69.32
C[C@@H](NC(=O)CN1C=CSC1=[NH2+])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520324	0	41	0.0	-67.67	361.56	1.40	-66.27
C[C@@H](NC(=O)CC[N@H+](C)CCO)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520337	0	48	0.0	-72.35	384.94	-0.77	-73.12
C[C@@H](NC(=O)CC[N@@H+](C)CCO)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520337	1	48	0.0	-71.27	384.92	-0.80	-72.07
C[C@@H](NC(=O)[C@H](C)[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520338	0	44	0.0	-68.42	352.33	1.64	-66.78
C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520343	0	48	0.0	-70.71	377.46	2.96	-67.75
C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520343	1	48	0.0	-69.28	366.89	2.65	-66.63
C[C@@H](NC(=O)C1C[N@@H+]2CCN1CC2C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520354	0	51	0.0	-75.79	387.28	0.20	-75.59
C[C@@H](NC(=O)C1C[N@H+]2CCN1CC2C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520354	1	51	0.0	-77.04	385.54	0.10	-76.94
COC1C[N@@H+]2CCCC2(C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029520408	0	53	0.0	-73.44	411.85	2.25	-71.19
COC1C[N@H+]2CCCC2(C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029520408	1	53	0.0	-72.46	410.91	2.31	-70.15
C[C@@H](NC(=O)CC1=CC2=C[NH+]=CN2C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520426	0	46	0.0	-70.98	388.90	5.41	-65.57
C[C@@H](NC(=O)C[N@H+](C)C1CCSC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520463	0	49	0.0	-75.84	393.81	3.39	-72.45
C[C@@H](NC(=O)C[N@@H+](C)C1CCSC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520463	1	49	0.0	-76.29	393.85	3.48	-72.81
C[C@@H](NC(=O)C[NH+]1CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520464	1	42	0.0	-71.08	344.33	1.64	-69.44
C[C@@H](NC(=O)C1=CC=NC(C[NH+](C)C)=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520508	1	50	0.0	-73.39	410.01	2.91	-70.48
C[C@@H](NC(=O)C=C1CC[N@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520510	0	46	0.0	-74.33	373.36	2.71	-71.62
C[C@@H](NC(=O)C=C1CC[N@@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520510	1	46	0.0	-76.24	373.75	2.83	-73.41
C[C@@H](NC(=O)C1C[NH+](C2CCCCC2)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520541	0	55	0.0	-72.10	425.92	4.58	-67.52
C[C@@H](NC(=O)COCC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520562	0	48	0.0	-71.93	390.36	2.29	-69.64
CCCCC[N@H+](C)CCC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520570	0	56	0.0	-73.44	439.09	4.76	-68.68
CCCCC[N@@H+](C)CCC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520570	1	56	0.0	-73.70	439.09	4.75	-68.95
C[C@@H](NC(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520582	0	52	0.0	-74.57	412.62	3.56	-71.01
C=CCC(C)(C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029520594	0	51	0.0	-68.97	386.19	3.04	-65.93
C[C@@H](NC(=O)C(O)CC[S+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520599	0	47	0.0	-71.09	399.30	0.90	-70.19
C[C@@H](NC(=O)C1(C)CC(O)C[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520642	0	49	0.0	-77.55	385.14	-0.58	-78.13
C[C@@H](NC(=O)C1CN(C)CC[N@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520657	0	53	0.0	-69.78	405.48	0.99	-68.79
C[C@@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520657	1	53	0.0	-69.78	405.48	0.99	-68.79
CC(C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300029520658	0	52	0.0	-69.16	403.49	0.34	-68.82
C[C@@H](NC(=O)CC1(O)CCC[N@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520687	0	52	0.0	-68.69	395.07	1.31	-67.38
C[C@@H](NC(=O)CC1(O)CCC[N@@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520687	1	52	0.0	-68.69	395.07	1.31	-67.38
C[C@@H](NC(=O)CN1CC(C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520691	0	45	0.0	-73.90	365.93	2.44	-71.46
C[C@@H](NC(=O)C[NH+]1CC(C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520691	1	45	0.0	-73.90	365.93	2.44	-71.46
C[C@@H](NC(=O)CN(C)CCO)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520723	0	45	0.0	-70.94	362.58	-1.33	-72.27
C[C@@H](NC(=O)C[N@H+](C)CCO)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520723	1	45	0.0	-71.18	362.36	-1.36	-72.54
C[C@@H](NC(=O)C[N@@H+](C)CCO)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520723	1	45	0.0	-71.18	362.36	-1.36	-72.54
C[C@@H](NC(=O)C=C1CC2CCC(C1)[NH+]2C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520756	0	53	0.0	-70.21	407.28	4.18	-66.03
C[C@@H](NC(=O)C1C[N@@H+]2CCN1CCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520761	0	51	0.0	-72.72	382.34	0.54	-72.18
C[C@@H](NC(=O)C1C[N@H+]2CCN1CCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520761	1	51	0.0	-72.72	382.34	0.54	-72.18
CC[N@@H+]1CCCC(C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029520772	0	51	0.0	-64.10	390.48	3.72	-60.38
CC[N@H+]1CCCC(C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029520772	1	51	0.0	-64.10	390.48	3.72	-60.38
CC(CC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029520774	0	50	0.0	-73.21	391.61	3.23	-69.98
CC[N@H+](C)CC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520792	0	44	0.0	-70.42	352.22	1.91	-68.51
C[C@@H](NC(=O)C12CCC[N@@H+]1CCCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520824	0	52	0.0	-65.11	387.98	3.86	-61.25
C[C@@H](NC(=O)C12CCC[N@H+]1CCCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520824	1	52	0.0	-65.11	387.98	3.86	-61.25
C[C@@H](NC(=O)C12CCC[N@@H+]1CC=CC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520834	0	50	0.0	-65.25	382.11	3.56	-61.69
C[C@@H](NC(=O)C12CCC[N@H+]1CC=CC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520834	1	50	0.0	-65.25	382.11	3.56	-61.69
CC[N@H+](CC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029520867	0	48	0.0	-67.51	383.10	3.26	-64.25
CC[N@@H+](CC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029520867	1	48	0.0	-67.96	380.52	3.17	-64.79
C[C@@H](NC(=O)C1([NH+](C)C)CCCSC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520870	0	52	0.0	-78.61	397.36	3.62	-74.99
CC[NH+](CC)CCC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520892	0	50	0.0	-71.48	388.09	2.87	-68.61
C[C@@H](NC(=O)C=C1CC[NH+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520914	0	49	0.0	-73.09	387.78	3.51	-69.58
C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520933	1	48	0.0	-71.01	384.65	2.79	-68.22
C[C@@H](NC(=O)CCCC[NH+]1CCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520939	0	57	0.0	-72.01	441.50	5.25	-66.76
C[C@@H](NC(=O)C[N@@H+]1CCC(C)(O)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520977	0	49	0.0	-70.38	390.47	-0.37	-70.75
C[C@@H](NC(=O)C[N@H+]1CCC(C)(O)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520977	1	49	0.0	-69.93	390.50	-0.35	-70.28
C[C@@H](NC(=O)C=CC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520990	0	45	0.0	-73.92	371.73	2.42	-71.50
CC(OCC[NH+](C)C)C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521021	0	51	0.0	-71.53	410.16	2.89	-68.64
C[C@@H](NC(=O)CCOCC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521034	0	51	0.0	-70.64	411.32	2.03	-68.61
COCC[N@H+](C)CC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521035	1	48	0.0	-71.22	384.61	1.06	-70.16
COCC[N@@H+](C)CC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521035	1	48	0.0	-71.02	384.83	1.06	-69.96
COCCCC[N@H+](C)CCC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521073	0	57	0.0	-76.25	451.26	3.03	-73.22
COCCCC[N@@H+](C)CCC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521073	1	57	0.0	-76.37	451.26	3.03	-73.34
C[C@@H](NC(=O)C1([NH+](C)C)CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521101	0	51	0.0	-75.03	387.28	3.82	-71.21
CC(CCC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029521104	0	50	0.0	-72.91	388.14	2.95	-69.96
CC[N@@H+]1CCC1C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521115	1	45	0.0	-69.68	366.11	2.12	-67.56
CC[N@H+]1CCC1C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521115	1	45	0.0	-68.38	359.05	1.96	-66.42
CC(C)[N@@H+]1CCCC(C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029521131	0	54	0.0	-65.05	406.88	4.23	-60.82
CC(C)[N@H+]1CCCC(C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029521131	1	54	0.0	-66.32	408.09	4.35	-61.97
C[C@@H](NC(=O)C1CCN(C2=[NH+]C=CN2C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521132	1	52	0.0	-63.40	419.58	3.70	-59.70
CC(C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300029521139	0	54	0.0	-70.99	429.40	5.22	-65.77
CC(C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300029521139	1	54	0.0	-72.51	429.28	5.21	-67.30
C[C@@H](NC(=O)C[N@@H+]1CCCC1CO)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521148	0	49	0.0	-68.11	380.28	-0.29	-68.40
C[C@@H](NC(=O)C[N@H+]1CCCC1CO)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521148	1	49	0.0	-69.20	388.62	-0.36	-69.56
C[C@@H](NC(=O)C1CC2CCCC[N@@H+]2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521181	0	52	0.0	-69.41	401.89	3.92	-65.49
C[C@@H](NC(=O)C1CC2CCCC[N@H+]2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521181	1	52	0.0	-68.37	401.80	3.95	-64.42
C[C@@H](NC(=O)C1(C)CC[NH+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521192	0	51	0.0	-66.36	391.49	3.29	-63.07
C[C@@H](NC(=O)C1=CC(C[NH+](C)C)=CN1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521199	0	49	0.0	-75.85	400.62	2.56	-73.29
CC(C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300029521221	0	52	0.0	-70.41	405.38	0.12	-70.29
C#CC1(O)CC[NH+](C(C)C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029521230	0	54	0.0	-69.33	428.19	1.01	-68.32
C=CCC(C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029521242	0	48	0.0	-66.74	378.16	2.72	-64.02
C[C@@H](NC(=O)C12CCC([NH+](C)C)(CC1)CC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521255	0	58	0.0	-75.22	424.15	4.44	-70.78
C[C@@H](NC(=O)C1CC(C)(C)C[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521263	0	51	0.0	-71.99	395.87	2.97	-69.02
C[C@@H](NC(=O)C1CC(C)(C)C[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521263	1	51	0.0	-69.54	401.69	3.42	-66.12
C[C@@H](NC(=O)CCCCC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521268	0	53	0.0	-72.97	421.35	4.16	-68.81
C[C@@H](NC(=O)C[NH+]1CC2CC2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521280	0	46	0.0	-70.75	369.83	3.11	-67.64
C[C@@H](NC(=O)C1CCC1[N@@H+]1CCOC(C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521301	0	56	0.0	-71.99	438.32	3.10	-68.89
C[C@@H](NC(=O)C1CCC1[N@H+]1CCOC(C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521301	1	56	0.0	-69.17	431.22	3.04	-66.13
C[C@@H](NC(=O)C1C[N@@H+]2CCN1C(C)C2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521329	0	51	0.0	-71.17	372.60	0.48	-70.69
C[C@@H](NC(=O)C1C[N@H+]2CCN1C(C)C2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521329	1	51	0.0	-69.38	377.30	0.68	-68.70
CCCC(C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029521331	0	50	0.0	-68.50	389.78	3.60	-64.90
C[C@@H](NC(=O)C(C)(C)[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521337	0	47	0.0	-71.22	361.71	2.31	-68.91
CC[NH+](CC)CCSCC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521386	0	54	0.0	-74.05	437.09	4.53	-69.52
C[C@@H](NC(=O)C1CCCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521398	0	48	0.0	-70.43	377.80	2.88	-67.55
C[C@@H](NC(=O)C1CCCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521398	1	48	0.0	-68.82	361.02	2.43	-66.39
C[C@@H](NC(=O)CC1=CC[N@H+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521460	0	49	0.0	-70.68	393.37	3.55	-67.13
C[C@@H](NC(=O)CC1=CC[N@@H+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521460	1	49	0.0	-69.32	393.37	3.55	-65.77
C[C@@H](NC(=O)CC1([NH+]2CCCC2)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521473	0	52	0.0	-68.32	398.21	3.90	-64.42
C[C@@H](NC(=O)C1(C[NH+]2CCCC2)CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521500	0	58	0.0	-64.65	428.00	5.43	-59.22
C[C@@H](NC(=O)C(C)(C)C1CCC[N@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521540	0	57	0.0	-72.18	424.47	4.36	-67.82
C[C@@H](NC(=O)C(C)(C)C1CCC[N@@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521540	1	57	0.0	-72.18	424.47	4.36	-67.82
C[C@@H](NC(=O)C1=CC=C(CN(C)C)O1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521545	0	48	0.0	-77.32	397.71	2.96	-74.36
C[C@@H](NC(=O)C1=CC=C(C[NH+](C)C)O1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521545	1	48	0.0	-77.32	397.71	2.96	-74.36
C[C@@H](NC(=O)C=CC[NH+]1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521572	0	49	0.0	-72.97	396.79	3.59	-69.38
C[C@@H](NC(=O)C1CC[NH+](C2CC2)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521604	0	52	0.0	-72.52	403.92	4.09	-68.43
C[C@@H](NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521629	0	48	0.0	-82.37	398.17	2.97	-79.40
C[C@@H](NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521629	1	48	0.0	-82.37	398.17	2.97	-79.40
C[C@@H](NC(=O)CC[NH+]1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521635	0	48	0.0	-71.42	382.82	2.96	-68.46
C[C@@H](NC(=O)C1CC(=O)N(C2CN(C)C2)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521646	0	53	0.0	-75.81	424.04	2.07	-73.74
C[C@@H](NC(=O)C1CC(=O)N(C2C[NH+](C)C2)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521646	1	53	0.0	-75.81	424.04	2.07	-73.74
C[C@@H](NC(=O)C12CC(C1)C[N@@H+]2C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521708	0	46	0.0	-72.88	365.45	2.38	-70.50
CC1=C(C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C=NN1CC[NH+](C)C	REAL300029521724	0	54	0.0	-80.32	434.37	3.21	-77.11
C[C@@H](NC(=O)C[N@@H+]1CC2CCC1C2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521727	0	49	0.0	-68.57	381.20	3.32	-65.25
C[C@@H](NC(=O)C[N@H+]1CC2CCC1C2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521727	1	49	0.0	-68.57	381.20	3.32	-65.25
CC(C)[NH+]1CCC(CC(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029521744	0	57	0.0	-67.88	428.35	4.46	-63.42
C[C@@H](NC(=O)C=C1C[NH+]2CCC1CC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521799	0	50	0.0	-68.33	390.63	3.63	-64.70
C[C@@H](NC(=O)CN1CC2C=CC1C2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521812	0	47	0.0	-70.16	374.85	3.15	-67.01
C[C@@H](NC(=O)C[N@@H+]1CC2C=CC1C2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521812	1	47	0.0	-68.89	373.71	3.15	-65.74
C[C@@H](NC(=O)C[N@H+]1CC2C=CC1C2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521812	1	47	0.0	-68.89	373.71	3.15	-65.74
C[C@@H](NC(=O)C(C[NH+](C)C)C1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521855	0	54	0.0	-77.24	430.66	5.28	-71.96
CC[NH+]1CCN(CC(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029521858	0	53	0.0	-69.83	410.48	1.38	-68.45
CC(C[NH+](C)C)C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521889	0	47	0.0	-65.27	372.18	2.55	-62.72
C[C@@H](NC(=O)CC1CCCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522001	0	51	0.0	-66.17	386.26	3.30	-62.87
C[C@@H](NC(=O)CC1CCCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522001	1	51	0.0	-73.14	393.47	3.42	-69.72
CC1=C2C=C(C(=O)N[C@H](C)C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029522024	1	46	0.0	-73.53	386.57	5.32	-68.21
CC(C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300029522025	1	48	0.0	-68.28	382.99	2.90	-65.38
C[C@@H](NC(=O)C[N@@H+]1CCC1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522029	1	45	0.0	-69.16	365.84	2.32	-66.84
C[C@@H](NC(=O)C[N@H+]1CCC1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522029	1	45	0.0	-69.79	365.81	2.32	-67.47
C[C@@H](NC(=O)CC(O)C[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522034	0	48	0.0	-75.56	387.19	0.22	-75.34
C[C@@H](NC(=O)C1C[N@H+](C)CC(C)O1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522075	1	49	0.0	-83.93	387.16	2.03	-81.90
C[C@@H](NC(=O)C1C[N@@H+](C)CC(C)O1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522075	1	49	0.0	-78.40	393.06	2.35	-76.05
C[C@@H](NC(=O)CC[NH+]1CCC(O)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522089	0	52	0.0	-75.33	409.13	0.28	-75.05
CCC[N@@H+]1CCCCC1C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522092	0	54	0.0	-68.08	406.35	3.97	-64.11
CCC[N@H+]1CCCCC1C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522092	1	54	0.0	-67.15	406.32	3.97	-63.18
CC[NH+]1CCN(CCC(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029522096	0	56	0.0	-71.70	431.95	1.73	-69.97
CCN1CC[NH+](CCC(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029522096	1	56	0.0	-72.67	433.11	1.89	-70.78
C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522099	0	55	0.0	-70.39	404.64	4.01	-66.38
C[C@@H](NC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522099	1	55	0.0	-67.01	410.58	4.75	-62.26
CC(C)C[NH+]1CCC(C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029522153	0	57	0.0	-74.11	435.68	4.98	-69.13
C[C@@H](NC(=O)CN1CCC([NH+](C)C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522186	0	56	0.0	-71.37	427.57	1.93	-69.44
C[C@@H](NC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522211	0	48	0.0	-69.37	384.10	2.95	-66.42
CC(CC[NH+](C)C)C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522221	0	50	0.0	-71.84	394.52	3.14	-68.70
C[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522245	0	52	0.0	-69.21	404.86	0.62	-68.59
C[C@@H](NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522245	1	52	0.0	-68.74	405.23	0.44	-68.30
C#CC[N@H+]1CCCCC1C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522255	1	50	0.0	-70.74	402.83	4.13	-66.61
C#CC[N@@H+]1CCCCC1C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522255	1	50	0.0	-66.47	401.76	4.04	-62.43
C[C@@H](NC(=O)C(CC1=CC=CC=C1)[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522261	0	54	0.0	-75.82	422.28	5.16	-70.66
C[C@@H](NC(=O)CN1CC[NH+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522263	1	50	0.0	-70.78	393.25	0.74	-70.04
CC[NH+]1CCN(CC(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029522276	0	53	0.0	-69.83	410.48	1.38	-68.45
C[C@@H](NC(=O)CSC(N)=[NH2+])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522309	0	39	0.0	-72.41	342.42	-1.82	-74.23
CC[N@@H+]1CCOCC1CC(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522363	0	52	0.0	-77.08	403.64	1.82	-75.26
C[C@@H](NC(=O)C1(CC[NH+](C)C)CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522385	0	57	0.0	-68.23	430.27	4.97	-63.26
C[C@@H](NC(=O)CC[NH+]1C(C)CCCC1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522387	0	57	0.0	-68.84	425.07	4.26	-64.58
C[C@@H](NC(=O)C1CCC([NH+](C)C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522390	0	54	0.0	-75.22	413.32	4.07	-71.15
C[C@@H](NC(=O)C1(CC[NH+](C)C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522391	0	51	0.0	-79.61	403.76	3.90	-75.71
C[C@@H](NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522395	0	54	0.0	-63.62	406.79	3.94	-59.68
C[C@@H](NC(=O)CC1CC=CC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522396	0	49	0.0	-73.89	385.75	3.29	-70.60
C[C@@H](NC(=O)CC1CC=CC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522396	1	49	0.0	-73.89	385.75	3.29	-70.60
C[C@@H](OCC[NH+](C)C)C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522433	0	51	0.0	-71.15	409.88	2.97	-68.18
C[C@@H](NC(=O)C1CC2CCC(C1)[NH+]2C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522477	0	52	0.0	-66.20	377.01	3.65	-62.55
C[C@@H](NC(=O)C1(C2(O)CC[NH+](C)CC2)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522605	0	56	0.0	-70.52	426.41	2.20	-68.32
C[C@@H](NC(=O)C1(CC[NH+]2CCCCC2)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522634	0	58	0.0	-78.38	445.38	5.79	-72.59
CC(C(=O)N[C@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300029522660	1	49	0.0	-71.62	393.65	3.15	-68.47
CCC1C[NH+](CC(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029522663	1	48	0.0	-71.72	386.56	3.07	-68.65
C[C@@H](NC(=O)C1C[NH+](C2CCOCC2)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522665	0	53	0.0	-76.42	418.01	2.23	-74.19
C[C@@H](NC(=O)C1([NH+]2CCCC2)CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522667	0	52	0.0	-67.57	397.45	4.14	-63.43
C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522679	1	45	0.0	-67.00	360.99	2.23	-64.77
C[C@@H](NC(=O)CC[N@H+]1CCC(F)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522689	1	48	0.0	-73.83	388.58	3.01	-70.82
COC1C[N@@H+](C)C(C)(C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029522700	1	52	0.0	-75.10	400.98	1.59	-73.51
C[C@@H](NC(=O)CC[NH+]1CCCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522714	0	54	0.0	-72.84	408.51	3.85	-68.99
C[C@@H](NC(=O)C[NH+]1CCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522718	0	48	0.0	-70.23	376.20	3.03	-67.20
C[C@@H](NC(=O)C1CC[N@H+](C)C1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522728	0	48	0.0	-70.15	372.03	2.43	-67.72
C[C@@H](NC(=O)C1CC[N@@H+](C)C1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522728	1	48	0.0	-70.02	380.71	2.63	-67.39
C[C@@H](NC(=O)CCC1CCCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522731	0	54	0.0	-71.92	408.46	3.96	-67.96
C[C@@H](NC(=O)CCC1CCCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522731	1	54	0.0	-69.60	415.59	4.13	-65.47
C[C@@H](NC(=O)C1CC[N@@H+]2CCOCC12)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522776	0	50	0.0	-70.60	390.58	1.38	-69.22
C[C@@H](NC(=O)C1CC[N@H+]2CCOCC12)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522776	1	50	0.0	-68.30	389.57	1.56	-66.74
CC1=[NH+]C=C2C=CC(C(=O)N[C@H](C)C3CN(C(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300029522785	0	46	0.0	-68.37	385.82	4.52	-63.85
C[C@@H](NC(=O)CC1COCCN1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522808	0	49	0.0	-76.59	385.13	1.05	-75.54
C[C@@H](NC(=O)CC1COCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522808	1	49	0.0	-69.47	377.36	0.90	-68.57
C[C@@H](NC(=O)CC1COCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522808	1	49	0.0	-76.59	385.13	1.05	-75.54
CC1=C(C)[NH+]=C(CCC(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029522822	1	49	0.0	-66.14	404.71	2.43	-63.71
C[C@@H](NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522835	0	54	0.0	-76.06	434.87	5.55	-70.51
C[C@@H](NC(=O)C1CCN1CC1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522840	0	52	0.0	-72.53	420.58	5.02	-67.51
C[C@@H](NC(=O)C1CC[N@@H+]1CC1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522840	1	52	0.0	-73.74	425.75	5.22	-68.52
C[C@@H](NC(=O)C1CC[N@H+]1CC1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522840	1	52	0.0	-72.53	420.58	5.02	-67.51
CC(C)C[N@@H+]1CCCC(C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029522844	0	57	0.0	-66.47	426.72	5.11	-61.36
CC(C)C[N@H+]1CCCC(C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029522844	1	57	0.0	-70.59	435.66	4.97	-65.62
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@@H+]2C)C1	REAL300029523003	0	45	0.0	-64.41	359.80	2.30	-62.11
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@H+]2C)C1	REAL300029523003	1	45	0.0	-65.46	355.39	1.84	-63.62
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@H+](C)CCO2)C1	REAL300029523028	1	46	0.0	-70.74	362.36	1.43	-69.31
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@@H+](C)CCO2)C1	REAL300029523028	1	46	0.0	-69.60	364.55	1.45	-68.15
CC1=[NH+]C=CN1CCCC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029523201	1	49	0.0	-68.90	401.26	4.04	-64.86
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300029523205	1	55	0.0	-75.49	428.55	2.73	-72.76
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(C[NH+](C)C)C=C2)C1	REAL300029523211	0	51	0.0	-85.27	411.72	4.46	-80.81
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[NH+]2CCOCC2)C1	REAL300029523212	1	49	0.0	-74.84	385.55	1.14	-73.70
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C2=CC=CC=C2)[NH+](C)C)C1	REAL300029523234	0	54	0.0	-75.00	401.31	4.57	-70.43
CCC[NH+](CCC)CCCC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029523242	0	59	0.0	-72.07	452.85	5.36	-66.71
CC[N@H+](C)C(C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029523243	0	54	0.0	-69.15	427.79	5.45	-63.70
CC[N@@H+](C)C(C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029523243	1	54	0.0	-70.77	430.30	5.47	-65.30
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300029523264	0	49	0.0	-68.56	379.45	2.90	-65.66
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300029523284	1	43	0.0	-72.27	362.24	4.43	-67.84
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC([NH+](C)C)C2)C1	REAL300029523374	0	54	0.0	-65.31	406.38	3.73	-61.58
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CC[N@H+](C)C2)C1	REAL300029523381	0	48	0.0	-70.40	382.58	2.95	-67.45
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CC[N@@H+](C)C2)C1	REAL300029523381	1	48	0.0	-70.71	382.93	2.85	-67.86
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C[NH+]=CC=C2N(C)C)C1	REAL300029523395	0	47	0.0	-71.32	385.07	1.54	-69.78
CCC(C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029523401	0	47	0.0	-69.52	362.56	2.28	-67.24
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)C1	REAL300029523411	1	46	0.0	-86.15	395.45	2.86	-83.29
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC3CC(C)C[N@@H+]3C2)C1	REAL300029523468	0	55	0.0	-65.71	417.70	4.68	-61.03
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC3CC(C)C[N@H+]3C2)C1	REAL300029523468	1	55	0.0	-65.35	419.80	4.38	-60.97
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCCC[NH+](C)C)C1	REAL300029523508	0	50	0.0	-73.55	395.66	3.27	-70.28
CC(C)C(C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029523535	0	50	0.0	-65.22	379.85	2.82	-62.40
CCC[N@H+](C)CCC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029523537	0	50	0.0	-72.87	391.88	3.09	-69.78
CCC[N@@H+](C)CCC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029523537	1	50	0.0	-72.79	391.88	3.09	-69.70
CCC[N@H+](C)CC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029523544	0	47	0.0	-73.16	376.72	2.88	-70.28
CCC[N@@H+](C)CC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029523544	1	47	0.0	-70.31	369.52	2.55	-67.76
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300029523577	0	49	0.0	-72.14	366.97	2.06	-70.08
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300029523577	1	49	0.0	-68.96	373.11	2.31	-66.65
CCCCCC[N@H+](C)CC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029523633	0	56	0.0	-74.36	441.22	5.23	-69.13
CCCCCC[N@@H+](C)CC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029523633	1	56	0.0	-71.48	434.02	4.88	-66.60
CC[NH+](CC)C(C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300029523645	0	56	0.0	-63.78	415.53	4.67	-59.11
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CCC(C)CC2)C1	REAL300029523693	0	51	0.0	-66.54	399.10	3.84	-62.70
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300029523727	1	46	0.0	-76.91	390.94	2.36	-74.55
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)COC2CC[NH+](C)CC2)C1	REAL300029523737	0	52	0.0	-74.46	416.43	3.51	-70.95
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300029523813	0	52	0.0	-66.29	403.36	4.07	-62.22
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300029523813	1	52	0.0	-64.78	403.29	3.99	-60.79
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C[NH+](C)C)CC2)C1	REAL300029523834	0	48	0.0	-76.82	386.05	3.06	-73.76
CC1=[NH+]C=C2CCC(C(=O)N3CC([C@@H](C)NC(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300029523835	1	50	0.0	-62.67	401.53	3.83	-58.84
CC(C)[NH+]1CCC(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029523848	0	54	0.0	-76.53	417.05	4.20	-72.33
CC[N@H+](C)CCC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029523888	0	47	0.0	-72.12	370.38	2.36	-69.76
CC[N@@H+](C)CCC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029523888	1	47	0.0	-72.12	370.39	2.35	-69.77
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C1	REAL300029523931	0	54	0.0	-68.95	395.09	4.07	-64.88
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1	REAL300029523934	0	58	0.0	-66.79	441.44	5.16	-61.63
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1	REAL300029523934	1	58	0.0	-74.50	441.22	5.19	-69.31
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300029523952	0	49	0.0	-74.92	368.66	2.78	-72.14
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[NH+](C)CC2)C1	REAL300029524057	0	48	0.0	-80.24	377.80	2.84	-77.40
CC(C)[C@H](C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029524080	0	50	0.0	-65.26	380.95	3.06	-62.20
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C1	REAL300029524188	0	55	0.0	-74.67	421.32	4.79	-69.88
CC[NH+](CC)CC(F)C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029524242	0	50	0.0	-70.75	391.13	2.96	-67.79
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(C[NH+](C)C)C=CS2)C1	REAL300029524243	0	48	0.0	-62.45	397.58	3.63	-58.82
CC(C)C[N@@H+]1CCC(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029524293	0	54	0.0	-68.75	418.29	4.07	-64.68
CC(C)C[N@H+]1CCC(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029524293	1	54	0.0	-67.20	417.83	4.20	-63.00
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2([NH+](C)C)CCC2)C1	REAL300029524297	0	48	0.0	-66.73	366.37	2.58	-64.15
CCC(C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029524339	0	53	0.0	-67.89	391.56	3.61	-64.28
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+]2CCCC2C)C1	REAL300029524372	0	48	0.0	-63.89	381.19	3.02	-60.87
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+]2CCCC2C)C1	REAL300029524372	1	48	0.0	-69.37	376.43	2.75	-66.62
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029524485	1	52	0.0	-65.48	415.73	4.28	-61.20
CC(C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300029524493	0	54	0.0	-63.37	404.55	3.74	-59.63
CC(C)[N@@H+]1CCCCC1C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029524496	0	54	0.0	-61.29	408.99	3.84	-57.45
CC(C)[N@H+]1CCCCC1C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029524496	1	54	0.0	-66.70	400.07	3.74	-62.96
CC(C)[N@@H+]1CCCC1C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029524532	0	51	0.0	-62.58	394.56	3.40	-59.18
CC(C)[N@H+]1CCCC1C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029524532	1	51	0.0	-62.11	394.63	3.31	-58.80
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@@H+]2C2CCOCC2)C1	REAL300029524541	0	56	0.0	-67.12	420.15	3.31	-63.81
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@H+]2C2CCOCC2)C1	REAL300029524541	1	56	0.0	-74.71	421.81	3.40	-71.31
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(CN2C=CC=N2)[NH+](C)C)C1	REAL300029524543	1	51	0.0	-66.56	403.17	2.34	-64.22
CC(C)[N@@H+]1CCCC1CC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029524550	0	54	0.0	-61.69	408.02	3.50	-58.19
CC(C)[N@H+]1CCCC1CC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029524550	1	54	0.0	-61.29	406.78	3.46	-57.83
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1	REAL300029524551	0	55	0.0	-69.04	406.55	4.89	-64.15
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@H+]2C2CCCC2)C1	REAL300029524551	1	55	0.0	-63.72	421.73	4.70	-59.02
CC(C)[C@@H](C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029524581	0	50	0.0	-65.68	381.32	3.19	-62.49
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+]2CCC(C)C2)C1	REAL300029524619	0	48	0.0	-69.16	375.63	2.80	-66.36
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+]2CCC(C)C2)C1	REAL300029524619	1	48	0.0	-71.71	383.93	3.04	-68.67
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(F)CC[N@@H+](C(C)(C)C)C2)C1	REAL300029524620	0	54	0.0	-65.11	416.70	3.49	-61.62
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(F)CC[N@H+](C(C)(C)C)C2)C1	REAL300029524620	1	54	0.0	-63.81	418.15	3.49	-60.32
CC1=[NH+]C=C2CC(C(=O)N3CC([C@@H](C)NC(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300029524622	1	50	0.0	-73.05	404.71	3.96	-69.09
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(CC[NH+](C)C)C=C2)C1	REAL300029524624	0	54	0.0	-85.61	434.21	5.30	-80.31
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1	REAL300029524626	0	51	0.0	-72.29	403.07	3.62	-68.67
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1	REAL300029524626	1	51	0.0	-65.67	401.74	3.59	-62.08
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+](C)CC(C)(C)C)C1	REAL300029524627	0	53	0.0	-72.40	407.15	4.02	-68.38
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C1	REAL300029524627	1	53	0.0	-72.97	406.20	3.90	-69.07
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+](C)CCC2=CC=CC=C2)C1	REAL300029524628	0	54	0.0	-74.37	429.43	5.56	-68.81
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+](C)CCC2=CC=CC=C2)C1	REAL300029524628	1	54	0.0	-76.72	436.63	5.90	-70.82
CC[C@@H](C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029524640	0	47	0.0	-64.67	366.95	2.34	-62.33
CC(COCC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300029524648	0	55	0.0	-69.71	428.92	3.92	-65.79
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C2=CC=CC=C2)C1	REAL300029524662	0	55	0.0	-79.70	439.37	5.65	-74.05
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C2=CC=CC=C2)C1	REAL300029524662	1	55	0.0	-76.27	437.01	5.39	-70.88
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCN(C)C2=CC=[NH+]C=C2)C1	REAL300029524835	0	50	0.0	-65.75	411.24	3.02	-62.73
CC1=[NH+]C=CN1CC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029524977	1	43	0.0	-70.18	367.18	3.00	-67.18
CC(C[NH+]1CCOCC1)C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029524979	0	52	0.0	-72.96	399.29	1.63	-71.33
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC[NH+]2CCCCC2)C1	REAL300029525002	0	54	0.0	-71.86	415.79	4.35	-67.51
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NOC(C[NH+](C)C)=C2)C1	REAL300029525028	1	47	0.0	-77.17	393.31	2.41	-74.76
CC1=C(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300029525030	0	46	0.0	-76.29	390.02	4.97	-71.32
CC(C)C1=[NH+]C=CN1CC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029525094	1	49	0.0	-63.08	401.90	4.08	-59.00
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300029525159	0	52	0.0	-67.48	402.77	4.09	-63.39
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300029525159	1	52	0.0	-60.53	398.44	3.90	-56.63
CC[N@@H+]1CCOC(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029525208	1	49	0.0	-73.60	388.97	2.33	-71.27
CC[N@H+]1CCOC(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029525208	1	49	0.0	-68.05	381.88	2.15	-65.90
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300029525302	0	43	0.0	-69.41	361.94	4.41	-65.00
CC1=C[NH+]=CN1CC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029525307	1	43	0.0	-67.44	366.01	3.69	-63.75
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN(CC[NH+](C)C)N=C2)C1	REAL300029525313	0	51	0.0	-77.06	415.98	2.50	-74.56
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NN(CC[NH+](C)C)C=C2)C1	REAL300029525330	0	51	0.0	-88.53	420.44	2.92	-85.61
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	REAL300029525338	0	48	0.0	-78.16	373.79	2.42	-75.74
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	REAL300029525338	1	48	0.0	-68.37	377.93	2.94	-65.43
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029525342	1	52	0.0	-65.57	416.24	4.33	-61.24
CC[C@@H]1[C@@H](C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029525345	0	51	0.0	-69.02	389.70	2.81	-66.21
CC[C@@H]1[C@@H](C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029525345	1	51	0.0	-68.44	395.55	3.28	-65.16
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2C(C)CCC2C)C1	REAL300029525377	0	51	0.0	-62.72	393.40	3.15	-59.57
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC[NH+]2CCCC2)C1	REAL300029525388	0	51	0.0	-71.68	398.52	3.56	-68.12
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC(C[NH+](C)C)=C2)C1	REAL300029525389	0	51	0.0	-78.05	411.67	4.43	-73.62
C#CC[NH+]1CCC(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029525400	0	50	0.0	-75.85	395.50	3.75	-72.10
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[NH+]2CCCCC2)C1	REAL300029525402	0	51	0.0	-71.55	393.84	3.53	-68.02
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC=C2C[NH+](C)C)C1	REAL300029525407	0	51	0.0	-61.31	404.71	4.78	-56.53
CC[N@@H+]1CCCCC1C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029525419	0	51	0.0	-69.85	385.69	3.23	-66.62
CC[N@H+]1CCCCC1C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029525419	1	51	0.0	-62.54	395.83	3.49	-59.05
CC(C)C(C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029525420	0	57	0.0	-70.18	426.02	5.21	-64.97
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C2=CC=CC=C2)[NH+](C)C)C1	REAL300029525424	1	51	0.0	-68.31	400.82	4.44	-63.87
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2C=[NH+]C3=C2CCCC3)C1	REAL300029525434	1	50	0.0	-69.48	401.89	5.18	-64.30
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C1	REAL300029525483	0	57	0.0	-68.32	413.43	4.86	-63.46
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC=C2CC[NH+](C)C)C1	REAL300029525484	0	54	0.0	-65.04	426.76	5.24	-59.80
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[N@H+](C)C2CCCCC2)C1	REAL300029525491	0	57	0.0	-72.69	428.70	4.73	-67.96
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C1	REAL300029525491	1	57	0.0	-69.09	434.92	4.97	-64.12
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2([NH+](C)C)CCCC2)C1	REAL300029525495	0	54	0.0	-69.50	400.11	3.77	-65.73
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)C1	REAL300029525512	1	52	0.0	-74.53	414.57	2.11	-72.42
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NNC(C3CCC[N@H+]3C)=C2)C1	REAL300029525512	1	52	0.0	-78.23	414.26	1.95	-76.28
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+](C)C2CCC2)C1	REAL300029525787	0	48	0.0	-68.16	376.44	3.11	-65.05
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1	REAL300029525787	1	48	0.0	-68.04	376.39	3.11	-64.93
CC(C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300029525829	0	54	0.0	-67.86	395.14	4.35	-63.51
CC[NH+](CC)CC1=CC=C(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029525846	0	54	0.0	-69.02	434.78	4.46	-64.56
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300029525851	0	54	0.0	-72.37	420.88	4.39	-67.98
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+](C)CC2=CC=CC=C2)C1	REAL300029525854	1	51	0.0	-74.22	406.94	4.72	-69.50
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)C1	REAL300029525854	1	51	0.0	-77.50	414.15	5.06	-72.44
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[NH+](C)CC2)C1	REAL300029525872	0	48	0.0	-80.24	377.80	2.84	-77.40
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1	REAL300029525958	0	45	0.0	-70.39	360.99	2.33	-68.06
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1	REAL300029525958	1	45	0.0	-65.50	355.39	1.85	-63.65
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029525981	1	47	0.0	-64.24	382.10	2.97	-61.27
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029525981	1	47	0.0	-70.53	386.73	3.62	-66.91
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC2CCC[N@@H+]2C)C1	REAL300029525993	0	51	0.0	-73.79	399.42	3.51	-70.28
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC2CCC[N@H+]2C)C1	REAL300029525993	1	51	0.0	-69.61	403.64	3.85	-65.76
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300029526010	0	52	0.0	-69.31	386.90	3.05	-66.26
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300029526018	0	52	0.0	-69.40	399.09	3.83	-65.57
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300029526018	1	52	0.0	-62.75	396.88	3.73	-59.02
CCC[N@@H+]1CCCC(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029526136	0	54	0.0	-66.20	404.99	4.08	-62.12
CCC[N@H+]1CCCC(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029526136	1	54	0.0	-66.75	412.95	4.39	-62.36
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300029526149	0	58	0.0	-61.21	432.87	5.11	-56.10
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300029526149	1	58	0.0	-61.60	433.37	5.06	-56.54
CC(C)[N@@H+]1CCOC(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029526162	0	52	0.0	-71.60	406.00	2.84	-68.76
CC(C)[N@H+]1CCOC(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029526162	1	52	0.0	-66.16	398.92	2.66	-63.50
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1	REAL300029526186	0	55	0.0	-71.52	407.45	1.92	-69.60
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300029526209	0	48	0.0	-63.62	378.25	2.92	-60.70
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC[N@H+]2C)C1	REAL300029526209	1	48	0.0	-64.52	364.94	2.47	-62.05
CC(C)C[N@@H+]1CCCC1C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029526247	0	54	0.0	-66.79	411.00	4.13	-62.66
CC(C)C[N@H+]1CCCC1C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029526247	1	54	0.0	-64.33	414.39	3.85	-60.48
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300029526270	0	52	0.0	-69.18	409.93	0.52	-68.66
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=C2CC3CCC(C2)[NH+]3C)C1	REAL300029526319	0	53	0.0	-73.94	410.77	4.28	-69.66
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@H+](C)C2C)C1	REAL300029526341	0	48	0.0	-73.90	379.87	2.82	-71.08
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@@H+](C)C2C)C1	REAL300029526341	1	48	0.0	-68.47	373.38	2.62	-65.85
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC2CCCC[N@@H+]2C)C1	REAL300029526345	0	54	0.0	-69.80	410.33	4.00	-65.80
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC2CCCC[N@H+]2C)C1	REAL300029526345	1	54	0.0	-70.48	411.62	4.05	-66.43
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC3=C(CCC3)[NH+]=C2N)C1	REAL300029526392	1	48	0.0	-59.48	388.02	2.13	-57.35
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@@H+]2C(C)(C)C)C1	REAL300029526490	0	51	0.0	-63.59	397.88	2.98	-60.61
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@H+]2C(C)(C)C)C1	REAL300029526490	1	51	0.0	-68.59	370.31	2.22	-66.37
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCN(C3=CC=[NH+]C=C3)C2)C1	REAL300029526512	0	51	0.0	-72.22	410.46	1.71	-70.51
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300029526518	0	44	0.0	-65.91	353.65	1.70	-64.21
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=NC(C[NH+](C)C)=C2)C1	REAL300029526541	1	50	0.0	-69.65	406.22	2.57	-67.08
C=CCC(C)(C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029526547	0	51	0.0	-67.78	385.74	3.53	-64.25
CC[NH+](CC)CCSCC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029526586	0	54	0.0	-74.12	432.89	4.43	-69.69
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(N)C3=CC=CC=C3[NH+]=C2)C1	REAL300029526587	1	47	0.0	-68.70	389.27	1.69	-67.01
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[NH+]2CCCC2)C1	REAL300029526592	0	48	0.0	-71.98	377.89	2.81	-69.17
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+](C)CCO)C1	REAL300029526602	1	45	0.0	-71.04	358.37	-1.44	-72.48
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+](C)CCO)C1	REAL300029526602	1	45	0.0	-73.91	365.34	-1.11	-75.02
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300029526653	0	51	0.0	-81.98	385.75	0.66	-81.32
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300029526653	1	51	0.0	-72.75	384.35	0.64	-72.11
CC(C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300029526701	1	49	0.0	-66.98	395.22	3.23	-63.75
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2=CC[N@H+](C)CC2)C1	REAL300029526762	0	49	0.0	-73.07	396.92	3.70	-69.37
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2=CC[N@@H+](C)CC2)C1	REAL300029526762	1	49	0.0	-71.20	396.90	3.73	-67.47
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC(=O)N(C3C[NH+](C)C3)C2)C1	REAL300029526776	1	53	0.0	-75.86	423.11	1.93	-73.93
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(O)CC[S+](C)C)C1	REAL300029526784	0	47	0.0	-74.09	391.03	0.64	-73.45
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C)CC(O)C[N@@H+]2C)C1	REAL300029526818	0	49	0.0	-77.59	377.44	-0.85	-78.44
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C)CC(O)C[N@H+]2C)C1	REAL300029526818	1	49	0.0	-70.60	376.49	-0.80	-71.40
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CN(C)CC[N@H+](C)C2)C1	REAL300029526837	0	53	0.0	-65.94	406.06	1.24	-64.70
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)C1	REAL300029526837	1	53	0.0	-74.11	409.25	0.93	-73.18
CC(C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300029526838	0	52	0.0	-64.32	406.77	0.15	-64.17
CC(C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300029526838	1	52	0.0	-72.57	407.96	0.32	-72.25
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(N)[NH+]=CC3=C2CCC3)C1	REAL300029526876	0	48	0.0	-65.28	396.94	2.08	-63.20
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2(O)CCC[N@H+](C)C2)C1	REAL300029526886	0	52	0.0	-64.64	406.56	1.73	-62.91
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2(O)CCC[N@@H+](C)C2)C1	REAL300029526886	1	52	0.0	-67.26	403.69	1.83	-65.43
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CC(C)C2)C1	REAL300029526893	1	45	0.0	-73.34	368.79	2.56	-70.78
CC[N@@H+]1CCCC(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029526902	0	51	0.0	-61.65	390.38	3.65	-58.00
CC[N@H+]1CCCC(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029526902	1	51	0.0	-66.34	389.52	3.44	-62.90
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2=CC=C[NH+]=C2N)C1	REAL300029526919	0	44	0.0	-69.97	372.03	1.21	-68.76
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300029526935	0	49	0.0	-65.47	386.91	3.60	-61.87
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300029526935	1	49	0.0	-63.98	386.22	3.08	-60.90
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC2[N@@H+]2CCOC(C)C2)C1	REAL300029526972	0	56	0.0	-70.44	426.90	3.04	-67.40
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC2[N@H+]2CCOC(C)C2)C1	REAL300029526972	1	56	0.0	-65.90	426.32	3.20	-62.70
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(C[NH+]3CCCC3)O2)C1	REAL300029526995	0	52	0.0	-70.76	424.34	4.22	-66.54
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300029527002	0	49	0.0	-74.32	392.46	3.52	-70.80
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300029527037	0	52	0.0	-68.43	403.05	3.99	-64.44
CC[N@H+](C)CC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029527100	0	44	0.0	-69.94	348.02	1.80	-68.14
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2CC3C=CC2C3)C1	REAL300029527185	0	47	0.0	-69.35	376.60	3.26	-66.09
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300029527185	1	47	0.0	-63.85	375.22	3.21	-60.64
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300029527185	1	47	0.0	-63.85	375.22	3.21	-60.64
CC1=CC=C(NCCC(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)N=C1	REAL300029527212	0	50	0.0	-64.22	415.38	2.77	-61.45
CC1=CC=C(NCCC(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)[NH+]=C1	REAL300029527212	1	50	0.0	-64.22	415.38	2.77	-61.45
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C[NH+]3CCCC3)CCCC2)C1	REAL300029527272	0	58	0.0	-66.56	428.13	5.57	-60.99
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300029527375	0	52	0.0	-61.79	387.68	3.62	-58.17
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CCC[N@H+]2CCCC3)C1	REAL300029527375	1	52	0.0	-61.79	387.68	3.62	-58.17
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300029527387	0	50	0.0	-65.23	374.95	3.01	-62.22
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300029527387	1	50	0.0	-65.23	374.95	3.01	-62.22
CC(OCC[NH+](C)C)C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029527403	0	51	0.0	-71.75	401.62	2.75	-69.00
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCOCC[NH+](C)C)C1	REAL300029527417	0	51	0.0	-71.52	407.12	1.93	-69.59
COCCN(C)CC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029527419	0	48	0.0	-73.65	387.59	1.30	-72.35
COCC[N@H+](C)CC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029527419	1	48	0.0	-71.17	380.62	0.96	-70.21
COCC[N@@H+](C)CC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029527419	1	48	0.0	-71.17	380.62	0.96	-70.21
CC(CCC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029527428	0	50	0.0	-73.55	383.63	2.87	-70.68
CC[N@H+](CC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029527474	0	48	0.0	-64.12	382.46	3.22	-60.90
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@@H+]3CCN2C(C)C3)C1	REAL300029527495	0	51	0.0	-72.90	385.82	0.16	-72.74
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CC(C2)C[N@@H+]3C)C1	REAL300029527538	0	46	0.0	-77.32	363.23	2.54	-74.78
CC1=NC(N)=CC=C1C=CC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029527552	0	48	0.0	-70.38	395.11	1.78	-68.60
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029527552	1	48	0.0	-70.38	395.11	1.78	-68.60
CC1=C(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C=NN1CC[NH+](C)C	REAL300029527559	0	54	0.0	-78.53	432.61	2.93	-75.60
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300029527562	0	49	0.0	-64.11	380.75	3.18	-60.93
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300029527562	1	49	0.0	-64.11	380.75	3.18	-60.93
CC(C)[NH+]1CCC(CC(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029527583	0	57	0.0	-68.76	424.15	4.47	-64.29
CC(C[NH+](C)C)C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029527600	0	47	0.0	-69.06	376.41	2.51	-66.55
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@H+](C)CC2C(F)(F)F)C1	REAL300029527619	0	48	0.0	-75.17	389.78	2.65	-72.52
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@@H+](C)CC2C(F)(F)F)C1	REAL300029527619	1	48	0.0	-75.17	389.78	2.65	-72.52
CC[N@@H+]1CCC1C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029527671	0	45	0.0	-66.02	367.88	2.37	-63.65
CC(C)[N@@H+]1CCCC(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029527692	0	54	0.0	-65.70	412.97	3.85	-61.85
CC(C)[N@H+]1CCCC(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029527692	1	54	0.0	-65.70	412.97	3.85	-61.85
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCN(C3=NC=CN3C)C2)C1	REAL300029527694	0	52	0.0	-72.23	422.44	3.61	-68.62
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCN(C3=[NH+]C=CN3C)C2)C1	REAL300029527694	1	52	0.0	-72.23	422.44	3.61	-68.62
CCC(C)(C)[NH2+]C(C)C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029527723	0	53	0.0	-64.94	402.13	2.02	-62.92
C#CCN1CCCCC1C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029527788	0	50	0.0	-64.03	391.81	3.72	-60.31
C#CC[N@H+]1CCCCC1C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029527788	1	50	0.0	-70.49	393.23	3.78	-66.71
C#CC[N@@H+]1CCCCC1C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029527788	1	50	0.0	-70.49	393.23	3.78	-66.71
CNC1=NC(C)=CC=C1C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029527792	0	47	0.0	-60.78	383.93	2.01	-58.77
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029527792	1	47	0.0	-60.78	383.93	2.01	-58.77
CCCC(C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029527811	0	50	0.0	-69.78	383.53	3.01	-66.77
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)[NH+](C)C)C1	REAL300029527821	0	47	0.0	-66.74	358.96	2.41	-64.33
CC(CC[NH+](C)C)C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029527852	0	50	0.0	-73.77	392.05	2.93	-70.84
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1	REAL300029527925	0	55	0.0	-74.80	403.55	3.94	-70.86
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1	REAL300029527925	1	55	0.0	-61.79	408.79	4.52	-57.27
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300029527966	0	50	0.0	-63.62	393.09	3.82	-59.80
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300029527966	1	50	0.0	-64.03	389.77	4.66	-59.37
COCCCC[N@H+](C)CCC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029528023	0	57	0.0	-76.58	447.05	2.95	-73.63
COCCCC[N@@H+](C)CCC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029528023	1	57	0.0	-76.57	447.05	2.94	-73.63
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CCC([NH+](C)C)(CC2)CC3)C1	REAL300029528029	0	58	0.0	-72.00	418.58	4.12	-67.88
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC(C)(C)C[N@@H+]2C)C1	REAL300029528038	0	51	0.0	-67.24	395.03	3.29	-63.95
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC(C)(C)C[N@H+]2C)C1	REAL300029528038	1	51	0.0	-66.97	393.41	3.13	-63.84
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCCCC[NH+](C)C)C1	REAL300029528044	0	53	0.0	-73.07	417.15	4.06	-69.01
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[NH+]2CCC(O)CC2)C1	REAL300029528050	0	52	0.0	-75.10	405.38	0.21	-74.89
CCC[N@@H+]1CCCCC1C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029528056	0	54	0.0	-63.13	417.09	4.22	-58.91
CCC[N@H+]1CCCCC1C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029528056	1	54	0.0	-63.86	405.79	3.92	-59.94
CC[NH+]1CCN(CCC(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029528066	0	56	0.0	-76.36	435.89	2.01	-74.35
CCN1CC[NH+](CCC(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029528066	1	56	0.0	-69.34	435.12	2.02	-67.32
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2CC[NH+](C)CC2)C1	REAL300029528070	1	50	0.0	-69.63	395.27	0.82	-68.81
CC(C)C[NH+]1CCC(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029528228	0	57	0.0	-78.31	439.19	5.10	-73.21
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@H+](C)CC(C)O2)C1	REAL300029528232	1	49	0.0	-77.09	383.19	1.98	-75.11
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@@H+](C)CC(C)O2)C1	REAL300029528232	1	49	0.0	-75.34	383.70	2.38	-72.96
CCC1CCC[N@H+](CC(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029528278	0	54	0.0	-70.92	411.29	4.07	-66.85
CCC1CCC[N@@H+](CC(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029528278	1	54	0.0	-66.39	410.22	4.43	-61.96
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(C[NH+](C)C)N2)C1	REAL300029528290	0	49	0.0	-73.89	398.47	2.77	-71.12
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300029528316	0	46	0.0	-73.02	373.51	3.28	-69.74
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2([NH+]3CCCC3)CC2)C1	REAL300029528341	0	52	0.0	-71.12	402.56	4.22	-66.90
CC([NH2+]C1(CO)CCCC1)C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029528367	0	55	0.0	-66.55	415.83	-0.73	-67.28
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300029528408	0	48	0.0	-63.62	378.25	2.92	-60.70
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC[N@H+]2C)C1	REAL300029528408	1	48	0.0	-64.52	364.94	2.47	-62.05
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@@H+]2CC2=CC=CC=C2)C1	REAL300029528417	1	52	0.0	-69.35	427.88	5.24	-64.11
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@H+]2CC2=CC=CC=C2)C1	REAL300029528417	1	52	0.0	-69.35	427.80	5.35	-64.00
CC(C)C[N@@H+]1CCCC(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029528424	0	57	0.0	-66.57	420.03	4.77	-61.80
CC(C)C[N@H+]1CCCC(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029528424	1	57	0.0	-67.58	425.83	5.00	-62.58
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2CCC([NH+](C)C)CC2)C1	REAL300029528510	0	56	0.0	-74.35	431.11	2.09	-72.26
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=C2CC[N@H+](C)C2)C1	REAL300029528603	0	46	0.0	-72.66	374.16	2.84	-69.82
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=C2CC[N@@H+](C)C2)C1	REAL300029528603	1	46	0.0	-72.30	375.13	2.87	-69.43
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300029528611	0	44	0.0	-70.73	366.00	0.40	-70.33
CC[NH+]1CCN(CC(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029528689	0	53	0.0	-72.61	414.70	1.60	-71.01
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=C2C[NH+]3CCC2CC3)C1	REAL300029528694	0	50	0.0	-68.35	386.57	3.53	-64.82
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2([NH+](C)C)CCCC2)C1	REAL300029528754	0	51	0.0	-68.07	378.50	2.94	-65.13
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)C1	REAL300029528771	0	52	0.0	-64.98	406.65	0.53	-64.45
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)C1	REAL300029528771	1	52	0.0	-63.44	407.28	0.66	-62.78
CCC1C[NH+](CC(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029528779	0	48	0.0	-67.65	388.92	3.18	-64.47
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[NH+](C3CCOCC3)C2)C1	REAL300029528783	0	53	0.0	-74.09	412.95	2.07	-72.02
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300029528786	0	52	0.0	-64.42	388.44	3.70	-60.72
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1	REAL300029528804	0	45	0.0	-66.29	355.47	1.84	-64.45
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1	REAL300029528804	1	45	0.0	-69.44	360.94	2.26	-67.18
CC[N@@H+]1CCOCC1CC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029528849	0	52	0.0	-70.38	404.56	1.74	-68.64
CC[N@H+]1CCOCC1CC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029528849	1	52	0.0	-68.66	399.99	1.65	-67.01
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(=O)NC3=C2CCC[NH2+]3)C1	REAL300029528858	0	49	0.0	-85.87	403.96	0.80	-85.07
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[NH+](C3CCCCC3)C2)C1	REAL300029528883	0	55	0.0	-73.58	422.67	4.44	-69.14
COC1C[N@@H+]2CCCC2(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029528905	0	53	0.0	-65.00	409.75	1.90	-63.10
COC1C[N@H+]2CCCC2(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029528905	1	53	0.0	-71.90	411.90	2.02	-69.88
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC2=CC=C(N)[NH+]=C2)C1	REAL300029528920	0	47	0.0	-69.65	389.31	1.63	-68.02
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2=CC3=C[NH+]=CN3C=C2)C1	REAL300029528928	0	46	0.0	-69.26	390.76	5.46	-63.80
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C3NC(N)=[NH+]C3=C2)C1	REAL300029528989	1	45	0.0	-66.60	376.18	2.16	-64.44
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C1	REAL300029529052	0	48	0.0	-74.80	387.32	3.13	-71.67
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(CC[NH+](C)C)CCCC2)C1	REAL300029529068	0	57	0.0	-70.51	431.00	4.53	-65.98
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[NH+]2C(C)CCCC2C)C1	REAL300029529070	0	57	0.0	-68.61	420.93	4.23	-64.38
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC([NH+](C)C)CC2)C1	REAL300029529073	0	54	0.0	-69.26	406.79	3.93	-65.33
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(CC[NH+](C)C)CC2)C1	REAL300029529074	0	51	0.0	-76.05	412.59	3.88	-72.17
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C1	REAL300029529079	0	54	0.0	-64.57	406.62	3.89	-60.68
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CC=CC[N@@H+]2C)C1	REAL300029529080	0	49	0.0	-62.35	382.73	3.35	-59.00
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CC=CC[N@H+]2C)C1	REAL300029529080	1	49	0.0	-62.35	382.73	3.35	-59.00
CC1=CC(C=CC(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)=CN=C1N	REAL300029529160	0	48	0.0	-68.56	401.43	2.29	-66.27
CC1=CC(C=CC(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)=C[NH+]=C1N	REAL300029529160	1	48	0.0	-68.56	401.43	2.29	-66.27
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)COCC[NH+](C)C)C1	REAL300029529177	0	48	0.0	-71.12	386.15	2.23	-68.89
CCCCC[N@H+](C)CCC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029529185	0	56	0.0	-73.73	434.88	4.65	-69.08
CCCCC[N@@H+](C)CCC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029529185	1	56	0.0	-73.73	434.88	4.65	-69.08
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)C1	REAL300029529202	0	52	0.0	-70.04	412.73	3.15	-66.89
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2C=CSC2=[NH2+])C1	REAL300029529239	0	41	0.0	-63.91	363.31	1.52	-62.39
C[C@@H](OCC[NH+](C)C)C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029529361	0	51	0.0	-67.34	407.33	2.96	-64.38
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C3(O)CC[NH+](C)CC3)CC2)C1	REAL300029529366	0	56	0.0	-78.68	423.92	1.78	-76.90
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[NH+]2CCCCCC2)C1	REAL300029529459	0	54	0.0	-72.37	404.76	4.12	-68.25
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CCCCC2)C1	REAL300029529465	0	48	0.0	-72.69	379.23	3.34	-69.35
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@H+](C)C2)C1	REAL300029529467	0	48	0.0	-67.13	372.49	2.69	-64.44
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@@H+](C)C2)C1	REAL300029529467	1	48	0.0	-74.28	372.79	2.89	-71.39
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300029529469	0	52	0.0	-69.18	409.93	0.52	-68.66
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CCCCCC2)C1	REAL300029529475	0	51	0.0	-69.38	381.43	3.17	-66.21
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N+]2=CN(C)C=C2)C1	REAL300029529482	0	43	0.0	-70.81	369.02	4.89	-65.92
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)C2CCC[N@H+](C)C2)C1	REAL300029529505	0	57	0.0	-70.36	419.29	3.97	-66.39
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)C2CCC[N@@H+](C)C2)C1	REAL300029529505	1	57	0.0	-72.42	423.24	3.91	-68.51
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(C[NH+](C)C)O2)C1	REAL300029529511	1	48	0.0	-71.87	397.64	3.02	-68.85
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(C[NH+](C)C)N=C2)C1	REAL300029529521	0	50	0.0	-72.50	406.23	2.54	-69.96
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300029529545	1	49	0.0	-74.30	383.11	-0.36	-74.66
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+](C)C2CC2)C1	REAL300029529553	1	45	0.0	-64.65	365.78	2.69	-61.96
CC(C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300029529555	1	53	0.0	-74.74	414.36	1.40	-73.34
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[N@H+]2CCC(F)C2)C1	REAL300029529563	1	48	0.0	-77.11	392.07	3.29	-73.82
COC1C[N@@H+](C)C(C)(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029529582	1	52	0.0	-66.62	399.20	1.48	-65.14
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC(CC[NH+](C)C)=C2)C1	REAL300029529605	0	54	0.0	-79.03	434.22	5.28	-73.75
CC(CC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029529612	0	50	0.0	-70.06	393.70	3.36	-66.70
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300029529639	0	50	0.0	-71.02	395.22	1.55	-69.47
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@H+]3CCOCC23)C1	REAL300029529639	1	50	0.0	-65.94	389.42	1.57	-64.37
CC1=[NH+]C=C2C=CC(C(=O)N3CC([C@@H](C)NC(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300029529649	0	46	0.0	-72.00	384.98	4.24	-67.76
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2COCCN2C)C1	REAL300029529675	0	49	0.0	-65.02	379.64	1.03	-63.99
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2COCC[N@@H+]2C)C1	REAL300029529675	1	49	0.0	-80.59	388.41	1.21	-79.38
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2COCC[N@H+]2C)C1	REAL300029529675	1	49	0.0	-65.02	379.64	1.03	-63.99
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C[NH+](C)C)C2=CC=CC=C2)C1	REAL300029529687	0	54	0.0	-76.94	424.07	4.97	-71.97
CC[NH+]1CCN(CC(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029529693	0	53	0.0	-72.61	414.70	1.60	-71.01
CC1=CC(N)=[NH+]C=C1C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029529776	1	44	0.0	-66.41	365.34	0.56	-65.85
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC2=CC=C(N)[NH+]=C2)C1	REAL300029529779	0	47	0.0	-69.65	389.31	1.63	-68.02
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(CC[NH+]3CCCCC3)CC2)C1	REAL300029529812	0	58	0.0	-78.47	451.61	5.73	-72.74
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+]2CCC(C)(O)C2)C1	REAL300029529854	0	49	0.0	-70.49	386.53	-0.49	-70.98
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+]2CCC(C)(O)C2)C1	REAL300029529854	1	49	0.0	-71.65	393.46	-0.12	-71.77
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=NN2CC[NH+](C)C)C1	REAL300029529865	0	51	0.0	-68.31	411.09	2.52	-65.79
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2C[NH+](C)C2)C1	REAL300029529908	0	45	0.0	-69.39	367.54	2.17	-67.22
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300029529914	0	52	0.0	-66.18	408.96	4.31	-61.87
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300029529914	1	52	0.0	-66.49	407.01	4.03	-62.46
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[N@H+](C)CCO)C1	REAL300029529974	0	48	0.0	-71.88	380.73	-0.87	-72.75
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[N@@H+](C)CCO)C1	REAL300029529974	1	48	0.0	-71.81	380.72	-0.89	-72.70
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300029529975	0	44	0.0	-65.91	353.65	1.70	-64.21
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CCCC[N@@H+]2C)C1	REAL300029530003	0	51	0.0	-69.19	395.77	3.54	-65.65
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CCCC[N@H+]2C)C1	REAL300029530003	1	51	0.0	-62.02	388.00	3.40	-58.62
CC1=C2C=C(C(=O)N3CC([C@@H](C)NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029530038	1	46	0.0	-79.09	385.72	5.05	-74.04
CC(C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300029530039	0	48	0.0	-64.53	387.82	2.96	-61.57
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+]2CCC2C)C1	REAL300029530045	0	45	0.0	-65.82	367.59	2.43	-63.39
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+]2CCC2C)C1	REAL300029530045	1	45	0.0	-65.45	367.67	2.41	-63.04
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=CC[NH+](C)C)C1	REAL300029530066	0	45	0.0	-75.68	367.38	2.35	-73.33
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CC(C)(C)C2)C1	REAL300029530084	1	48	0.0	-66.63	386.63	2.92	-63.71
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCCC[NH+]2CCCCC2)C1	REAL300029530099	0	57	0.0	-72.32	436.83	5.13	-67.19
CC1=C(C)[NH+]=C(CCC(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029530116	1	49	0.0	-66.18	400.52	2.41	-63.77
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC3=C(C[N@H+](C)CC3)S2)C1	REAL300029530117	1	49	0.0	-74.96	406.31	4.04	-70.92
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC3=C(C[N@@H+](C)CC3)S2)C1	REAL300029530117	1	49	0.0	-74.84	406.05	4.11	-70.73
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C3CC[NH+](C)CC3)CC2)C1	REAL300029530131	0	55	0.0	-69.19	424.83	4.99	-64.20
CC1=C2C=C(C(=O)N3CC([C@@H](C)NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029530142	1	46	0.0	-79.09	385.72	5.05	-74.04
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CSCC[NH+](C)C)C1	REAL300029530158	0	48	0.0	-73.48	403.41	3.29	-70.19
CC(C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300029530180	0	54	0.0	-69.85	424.80	5.10	-64.75
CC(C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300029530180	1	54	0.0	-74.93	432.21	5.33	-69.60
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC3=C(CCCC3)[NH+]=C2N)C1	REAL300029530184	1	51	0.0	-65.65	408.53	2.87	-62.78
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+]2CCCC2CO)C1	REAL300029530193	0	49	0.0	-63.46	382.12	-0.11	-63.57
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+]2CCCC2CO)C1	REAL300029530193	1	49	0.0	-65.13	390.60	-0.17	-65.30
CC[NH+](CC)CC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029530196	0	47	0.0	-68.49	361.88	2.20	-66.29
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+](C)C2CCSC2)C1	REAL300029530213	0	49	0.0	-75.02	391.06	3.34	-71.68
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+](C)C2CCSC2)C1	REAL300029530213	1	49	0.0	-77.95	397.13	3.63	-74.32
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CCC2)C1	REAL300029530215	1	42	0.0	-67.17	346.55	1.83	-65.34
CC[NH+](CC)CCC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029530283	0	50	0.0	-71.46	383.89	2.78	-68.68
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CCC(C(N)=O)CC2)C1	REAL300029530309	0	52	0.0	-76.13	414.16	-0.10	-76.23
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(C[NH+](C)C)=CN2)C1	REAL300029530373	0	49	0.0	-80.25	399.92	2.62	-77.63
CC(C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300029530399	0	52	0.0	-72.72	399.81	-0.05	-72.77
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300029530408	0	50	0.0	-67.53	391.86	1.49	-66.04
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC3COCC[N@H+]3C2)C1	REAL300029530408	1	50	0.0	-69.12	392.25	1.58	-67.54
CC(C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029530430	0	45	0.0	-65.01	361.88	2.19	-62.82
CCC(CC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029530444	0	53	0.0	-73.55	401.31	3.60	-69.95
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=CC2=CC=C(N)[NH+]=C2)C1	REAL300029530453	0	45	0.0	-73.06	377.58	1.34	-71.72
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)C[NH+](C)C)C1	REAL300029530454	0	50	0.0	-71.58	372.48	2.34	-69.24
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC(C2=CC=CC=C2)[NH+](C)C)C1	REAL300029530501	0	54	0.0	-66.59	417.97	5.04	-61.55
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1	REAL300029530544	0	48	0.0	-63.91	378.04	2.84	-61.07
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1	REAL300029530544	1	48	0.0	-64.65	364.77	2.47	-62.18
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@@H+]3CCN2CC3C)C1	REAL300029530562	0	51	0.0	-71.23	386.00	0.11	-71.12
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@H+]3CCN2CC3C)C1	REAL300029530562	1	51	0.0	-70.02	387.73	0.17	-69.85
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC(O)C[NH+](C)C)C1	REAL300029530598	0	48	0.0	-75.99	382.88	0.19	-75.80
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC3CCC(C2)[NH+]3C)C1	REAL300029530601	0	52	0.0	-71.07	385.70	3.14	-67.93
C#CC1(O)CC[NH+](C(C)C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029530643	0	54	0.0	-66.25	430.30	1.13	-65.12
C=CCC(C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029530658	0	48	0.0	-66.75	372.45	2.56	-64.19
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300029530674	0	52	0.0	-66.29	403.36	4.07	-62.22
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300029530674	1	52	0.0	-64.78	403.29	3.99	-60.79
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C)CC[NH+](C)CC2)C1	REAL300029530692	0	51	0.0	-68.05	386.99	2.90	-65.15
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2(O)CC[NH+](C)CC2)C1	REAL300029530698	0	52	0.0	-70.56	406.80	1.70	-68.86
COCC[N@@H+]1CCCC1CC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029530717	0	55	0.0	-67.37	425.38	2.70	-64.67
COCC[N@H+]1CCCC1CC(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029530717	1	55	0.0	-67.44	428.11	2.30	-65.14
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CC3CCC(C2)[NH+]3C)C1	REAL300029530733	0	55	0.0	-69.43	408.94	4.08	-65.35
C[C@@H](NC(=O)C1=CC=NN1CC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029530778	0	51	0.0	-70.82	414.21	2.69	-68.13
C[C@@H](NC(=O)C1=CC2=C(C[N@H+](C)CC2)S1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029530820	1	49	0.0	-78.00	408.58	4.29	-73.71
C[C@@H](NC(=O)C1=CC2=C(C[N@@H+](C)CC2)S1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029530820	1	49	0.0	-78.19	408.56	4.21	-73.98
C[C@@H](NC(=O)C1(C2CC[NH+](C)CC2)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029530832	0	55	0.0	-72.23	421.54	4.79	-67.44
CC1=C2C=C(C(=O)N[C@H](C)C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029530845	1	46	0.0	-73.53	386.57	5.32	-68.21
C[C@@H](NC(=O)CSCC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029530860	0	48	0.0	-76.33	401.39	3.17	-73.16
C[C@@H](NC(=O)C1CC2COCC[N@@H+]2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029530872	0	50	0.0	-72.78	393.96	1.71	-71.07
C[C@@H](NC(=O)C1CC2COCC[N@H+]2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029530872	1	50	0.0	-70.69	392.90	1.50	-69.19
C[C@@H]1[C@@H](NC(=O)C2CCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029531019	0	45	0.0	-71.09	345.82	1.90	-69.19
C[C@@H]1[C@@H](NC(=O)C2CCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029531019	1	45	0.0	-71.25	345.80	1.90	-69.35
C[C@@H]1[C@@H](NC(=O)C2C[N@H+](C)CCO2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029531043	1	46	0.0	-80.78	363.32	1.78	-79.00
C[C@@H]1[C@@H](NC(=O)C2C[N@@H+](C)CCO2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029531043	1	46	0.0	-75.10	356.10	1.62	-73.48
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029531245	1	52	0.0	-66.27	411.40	4.51	-61.76
CC(C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+]1CCCCCC1	REAL300029531253	0	54	0.0	-68.40	395.98	3.76	-64.64
CC(C)[N@@H+]1CCCCC1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029531256	0	54	0.0	-66.64	392.79	3.91	-62.73
CC(C)[N@H+]1CCCCC1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029531256	1	54	0.0	-66.07	398.94	3.85	-62.22
CC(C)[N@@H+]1CCCC1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029531292	0	51	0.0	-67.22	384.88	3.43	-63.79
CC(C)[N@H+]1CCCC1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029531292	1	51	0.0	-68.98	374.88	3.30	-65.68
C[C@@H]1[C@@H](NC(=O)C2CC3CCCC[N@@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029531322	0	52	0.0	-68.76	393.25	4.07	-64.69
C[C@@H]1[C@@H](NC(=O)C2CC3CCCC[N@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029531322	1	52	0.0	-73.15	393.29	4.04	-69.11
CC(C)C1=[NH+]C=CN1CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029531362	1	49	0.0	-67.25	391.58	4.08	-63.17
CC1=[NH+]C=CN1CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029531424	1	43	0.0	-68.84	354.32	2.92	-65.92
CC(C[NH+]1CCOCC1)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029531426	0	52	0.0	-74.02	397.01	2.04	-71.98
C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029531449	0	54	0.0	-72.28	411.49	4.58	-67.70
C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029531490	0	54	0.0	-69.70	395.19	4.32	-65.38
C[C@@H]1[C@@H](NC(=O)C2CC[N@@H+](C3CCCCC3)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029531493	0	58	0.0	-71.33	431.32	5.27	-66.06
C[C@@H]1[C@@H](NC(=O)C2CC[N@H+](C3CCCCC3)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029531493	1	58	0.0	-72.77	431.19	5.21	-67.56
C[C@@H]1[C@@H](NC(=O)C2C[NH+]3CCC2CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029531511	0	49	0.0	-75.51	367.17	3.15	-72.36
C[C@@H]1[C@@H](NC(=O)C2CCCC3CCC[N@@H+]32)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029531578	0	52	0.0	-68.22	382.66	3.93	-64.29
C[C@@H]1[C@@H](NC(=O)C2CCCC3CCC[N@H+]32)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029531578	1	52	0.0	-65.29	390.52	4.15	-61.14
C[C@@H]1[C@@H](NC(=O)C2=CN(CC[NH+](C)C)N=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029531581	0	51	0.0	-78.40	410.24	2.83	-75.57
C[C@@H]1[C@@H](NC(=O)C2=NN(CC[NH+](C)C)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029531598	0	51	0.0	-80.39	410.62	2.84	-77.55
C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029531606	0	48	0.0	-72.59	363.53	2.54	-70.05
C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029531606	1	48	0.0	-73.12	368.76	2.59	-70.53
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029531610	1	52	0.0	-66.67	411.82	4.54	-62.13
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)CC[N@@H+]1C	REAL300029531613	0	51	0.0	-72.36	383.12	3.03	-69.33
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)CC[N@H+]1C	REAL300029531613	1	51	0.0	-70.57	386.72	3.57	-67.00
CC[N@@H+]1CCOC(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029531643	1	49	0.0	-73.42	373.88	2.26	-71.16
CC[N@H+]1CCOC(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029531643	1	49	0.0	-78.65	381.04	2.44	-76.21
CC[NH+](CC)CC(F)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029531719	0	50	0.0	-72.40	389.71	3.36	-69.04
C[C@@H]1[C@@H](NC(=O)C2=C(C[NH+](C)C)C=CS2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029531720	0	48	0.0	-64.81	391.47	3.94	-60.87
CC1CCC(C)[NH+]1CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029531849	0	51	0.0	-70.55	373.54	2.93	-67.62
C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029531860	0	51	0.0	-71.99	395.78	3.88	-68.11
C[C@@H]1[C@@H](NC(=O)C2=CC=CC(C[NH+](C)C)=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029531861	0	51	0.0	-73.93	404.10	4.82	-69.11
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)CC1	REAL300029531871	0	50	0.0	-76.04	395.76	4.20	-71.84
C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029531873	0	51	0.0	-72.76	389.53	3.75	-69.01
C[C@@H]1[C@@H](NC(=O)C2=CC=CC=C2C[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029531877	0	51	0.0	-63.90	396.41	5.14	-58.76
CC[N@@H+]1CCCCC1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029531889	0	51	0.0	-68.66	376.18	3.43	-65.23
CC[N@H+]1CCCCC1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029531889	1	51	0.0	-68.45	376.27	3.41	-65.04
CC(C)C(C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+]1CCCCC1	REAL300029531890	0	57	0.0	-67.96	417.76	5.39	-62.57
C[C@@H]1[C@@H](NC(=O)C(C2=CC=CC=C2)[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029531894	1	51	0.0	-70.25	400.58	4.83	-65.42
CC(C)C[N@@H+]1CCC(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029531921	0	54	0.0	-71.36	410.23	4.32	-67.04
CC(C)C[N@H+]1CCC(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029531921	1	54	0.0	-71.14	410.16	4.34	-66.80
C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029531925	0	48	0.0	-74.11	358.55	2.88	-71.23
C[C@@H]1[C@@H](NC(=O)C2CCC[N@@H+]2C2CCOCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029531928	0	56	0.0	-72.54	400.91	2.52	-70.02
C[C@@H]1[C@@H](NC(=O)C2CCC[N@H+]2C2CCOCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029531928	1	56	0.0	-71.75	417.70	2.90	-68.85
C[C@@H]1[C@@H](NC(=O)C(CN2C=CC=N2)[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029531930	1	51	0.0	-69.41	399.13	2.67	-66.74
CC(C)[N@@H+]1CCCC1CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029531937	0	54	0.0	-65.66	395.13	3.88	-61.78
CC(C)[N@H+]1CCCC1CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029531937	1	54	0.0	-69.87	405.28	3.99	-65.88
C[C@@H]1[C@@H](NC(=O)C2CCC[N@@H+]2C2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029531938	0	55	0.0	-70.25	398.10	4.40	-65.85
C[C@@H]1[C@@H](NC(=O)C2CCC[N@H+]2C2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029531938	1	55	0.0	-68.74	411.87	4.74	-64.00
CC(C)[C@@H](C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+](C)C	REAL300029531968	0	50	0.0	-69.35	370.07	2.87	-66.48
C[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029532041	0	48	0.0	-70.62	372.18	3.33	-67.29
C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029532041	1	48	0.0	-70.37	372.03	3.32	-67.05
CC(C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+]1C(C)CCC1C	REAL300029532146	0	54	0.0	-66.47	397.77	3.70	-62.77
C[C@@H]1[C@@H](NC(=O)CCN(C)C2=CC=[NH+]C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029532231	0	50	0.0	-68.45	400.40	3.00	-65.45
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029532245	1	47	0.0	-69.52	372.53	3.10	-66.42
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029532245	1	47	0.0	-69.34	378.16	3.63	-65.71
C[C@@H]1[C@@H](NC(=O)CCC2CCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029532257	0	51	0.0	-74.05	389.44	3.69	-70.36
C[C@@H]1[C@@H](NC(=O)CCC2CCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029532257	1	51	0.0	-70.98	387.82	3.36	-67.62
C[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029532274	0	52	0.0	-71.86	383.32	3.54	-68.32
C[C@@H]1[C@@H](NC(=O)C2CCC3CCCC[N@@H+]32)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029532282	0	52	0.0	-66.65	393.65	4.31	-62.34
C[C@@H]1[C@@H](NC(=O)C2CCC3CCCC[N@H+]32)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029532282	1	52	0.0	-66.60	393.69	4.29	-62.31
C[C@@H]1[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029532294	0	55	0.0	-71.97	408.38	2.56	-69.41
CC[NH+](CC)CC1=CC=C(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)O1	REAL300029532311	0	54	0.0	-74.40	421.77	4.24	-70.16
C[C@@H]1[C@@H](NC(=O)CCCC[NH+]2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029532316	0	54	0.0	-71.96	417.28	4.66	-67.30
C[C@@H]1[C@@H](NC(=O)C[N@H+](C)CC2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029532319	1	51	0.0	-77.04	402.58	4.93	-72.11
C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)CC2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029532319	1	51	0.0	-77.08	402.52	4.94	-72.14
C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029532337	0	48	0.0	-75.11	370.57	3.01	-72.10
C[C@@H]1[C@@H](NC(=O)C2=NOC(C[NH+](C)C)=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029532410	1	47	0.0	-78.55	384.02	2.30	-76.25
CC1=C(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C=CC2=C[NH+]=CN21	REAL300029532412	0	46	0.0	-72.48	378.31	5.09	-67.39
C[C@@H]1[C@@H](NC(=O)C2CCCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029532471	0	48	0.0	-69.88	358.50	2.76	-67.12
C[C@@H]1[C@@H](NC(=O)C2CCCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029532471	1	48	0.0	-69.95	358.68	2.76	-67.19
CC(C)C[N@@H+]1CCCC1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029532508	0	54	0.0	-68.57	410.64	4.55	-64.02
CC(C)C[N@H+]1CCCC1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029532508	1	54	0.0	-68.70	410.50	4.55	-64.15
C[C@@H]1[C@@H](NC(=O)C2=CN3C=[NH+]C=C3C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029532697	0	43	0.0	-71.86	356.10	4.86	-67.00
CC1=[NH+]C=CN1CCCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029532713	1	49	0.0	-69.06	396.99	4.25	-64.81
C[C@@H]1[C@@H](NC(=O)CCCC[NH+]2CCOCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029532717	1	55	0.0	-75.29	424.22	2.93	-72.36
C[C@@H]1[C@@H](NC(=O)C2=CC=C(C[NH+](C)C)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029532723	0	51	0.0	-77.95	404.08	4.83	-73.12
C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029532724	1	49	0.0	-76.05	381.25	1.35	-74.70
C[C@@H]1[C@@H](NC(=O)C(C)(C2=CC=CC=C2)[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029532746	0	54	0.0	-75.44	401.38	4.95	-70.49
CCC[NH+](CCC)CCCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029532754	0	59	0.0	-72.71	444.07	5.27	-67.44
CC[N@H+](C)C(C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)C1=CC=CC=C1	REAL300029532755	0	54	0.0	-68.69	418.81	5.45	-63.24
CC[N@@H+](C)C(C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)C1=CC=CC=C1	REAL300029532755	1	54	0.0	-69.35	419.23	5.45	-63.90
CC1=C[NH+]=CN1CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029532782	1	43	0.0	-71.08	355.67	3.69	-67.39
C[C@@H]1[C@@H](NC(=O)CN2C=[NH+]C3=C2CCCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029532796	1	50	0.0	-70.31	397.43	5.41	-64.90
C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029532844	0	57	0.0	-74.97	408.29	4.91	-70.06
C[C@@H]1[C@@H](NC(=O)C2=CC=CC=C2CC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029532845	0	54	0.0	-65.72	417.75	5.59	-60.13
C[C@@H]1[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029532852	0	57	0.0	-73.99	424.34	4.94	-69.05
C[C@@H]1[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029532852	1	57	0.0	-73.97	424.35	4.95	-69.02
C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029532858	0	49	0.0	-69.22	368.34	3.12	-66.10
C[C@@H]1[C@@H](NC(=O)C2CCCC([NH+](C)C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029532902	0	54	0.0	-67.36	398.23	3.98	-63.38
C[C@@H]1[C@@H](NC(=O)CC2CC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029532909	0	48	0.0	-74.06	372.17	2.94	-71.12
C[C@@H]1[C@@H](NC(=O)CC2CC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029532909	1	48	0.0	-73.82	372.42	2.94	-70.88
C[C@@H]1[C@@H](NC(=O)C2=C[NH+]=CC=C2N(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029532923	0	47	0.0	-77.07	376.64	2.14	-74.93
CCC(C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+](C)C	REAL300029532929	0	47	0.0	-70.01	356.57	2.29	-67.72
C[C@@H]1[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029532954	0	54	0.0	-74.30	389.75	3.76	-70.54
C[C@@H]1[C@@H](NC(=O)C2=CC3=C[NH+]=CN3C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029533033	1	43	0.0	-75.35	356.37	4.86	-70.49
C[C@@H]1[C@@H](NC(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029533082	1	46	0.0	-79.55	385.63	2.78	-76.77
C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029533118	0	50	0.0	-73.34	391.32	3.48	-69.86
CC(C)C(C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+](C)C	REAL300029533143	0	50	0.0	-70.41	374.98	3.55	-66.86
CCC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029533145	0	50	0.0	-73.89	387.55	3.31	-70.58
CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029533145	1	50	0.0	-73.90	387.52	3.30	-70.60
CCC[N@H+](C)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029533152	0	47	0.0	-72.66	365.10	2.75	-69.91
CCC[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029533152	1	47	0.0	-72.62	365.16	2.75	-69.87
C[C@@H]1[C@@H](NC(=O)C23CC[N@H+](C2)CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029533185	0	49	0.0	-72.32	367.82	2.60	-69.72
C[C@@H]1[C@@H](NC(=O)C23CC[N@@H+](C2)CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029533185	1	49	0.0	-75.87	367.86	2.58	-73.29
C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029533261	0	45	0.0	-68.90	352.02	2.38	-66.52
C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029533261	1	45	0.0	-71.32	345.92	1.88	-69.44
CC1CC2CCC(C(=O)N[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@@H]3C)C[N@@H+]2C1	REAL300029533292	0	55	0.0	-69.67	414.15	4.63	-65.04
CC1CC2CCC(C(=O)N[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@@H]3C)C[N@H+]2C1	REAL300029533292	1	55	0.0	-69.27	413.89	4.70	-64.57
CCCCCC[N@H+](C)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029533352	0	56	0.0	-73.94	429.59	5.10	-68.84
CCCCCC[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029533352	1	56	0.0	-73.89	429.59	5.09	-68.80
CC[NH+](CC)C(C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)C(C)C	REAL300029533364	0	56	0.0	-65.25	405.03	4.91	-60.34
CC[NH+](CC)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029533377	0	47	0.0	-70.67	357.52	2.43	-68.24
CCC[N@@H+]1CCCC(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029533410	0	54	0.0	-66.60	403.46	4.56	-62.04
CCC[N@H+]1CCCC(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029533410	1	54	0.0	-71.16	409.73	4.35	-66.81
C[C@@H]1[C@@H](NC(=O)C2CCCC[N@@H+]2C2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029533423	0	58	0.0	-66.44	422.78	5.12	-61.32
C[C@@H]1[C@@H](NC(=O)C2CCCC[N@H+]2C2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029533423	1	58	0.0	-67.36	418.50	5.27	-62.09
CC(C)[N@@H+]1CCOC(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029533436	1	52	0.0	-77.01	397.84	2.96	-74.05
CC(C)[N@H+]1CCOC(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029533436	1	52	0.0	-72.37	390.76	2.77	-69.60
C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029533480	0	51	0.0	-72.94	388.93	3.84	-69.10
C[C@@H]1[C@@H](NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029533514	1	46	0.0	-77.84	385.24	2.77	-75.07
C[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029533524	0	52	0.0	-76.75	405.81	3.43	-73.32
C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029533544	0	48	0.0	-73.50	373.24	2.98	-70.52
CC1=[NH+]C=C2CCC(C(=O)N[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@@H]3C)CN21	REAL300029533545	1	50	0.0	-65.89	393.56	4.09	-61.80
CC(C)[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)CC1	REAL300029533657	0	54	0.0	-72.48	401.22	3.94	-68.54
C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029533689	0	48	0.0	-75.11	370.57	3.01	-72.10
CC(C)[C@H](C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+](C)C	REAL300029533712	0	50	0.0	-70.49	375.22	3.46	-67.03
CCC(C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+](CC)CC	REAL300029533752	0	53	0.0	-66.26	388.47	3.39	-62.87
CC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029533856	0	47	0.0	-73.20	366.02	2.56	-70.64
CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029533856	1	47	0.0	-73.17	366.02	2.55	-70.62
CC1CCC[N@@H+]1CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029533945	0	48	0.0	-69.10	364.54	2.73	-66.37
CC1CCC[N@H+]1CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029533945	1	48	0.0	-69.13	364.57	2.73	-66.40
CC1CC[N@H+](CC(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029533948	0	48	0.0	-71.48	372.00	3.00	-68.48
CC1CC[N@@H+](CC(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029533948	1	48	0.0	-71.87	371.93	3.07	-68.80
C[C@@H]1[C@@H](NC(=O)C2(F)CC[N@@H+](C(C)(C)C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029533949	0	54	0.0	-67.64	408.25	3.63	-64.01
C[C@@H]1[C@@H](NC(=O)C2(F)CC[N@H+](C(C)(C)C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029533949	1	54	0.0	-68.36	408.08	3.63	-64.73
CC1=[NH+]C=C2CC(C(=O)N[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@@H]3C)CCN21	REAL300029533951	1	50	0.0	-68.38	395.17	4.09	-64.29
C[C@@H]1[C@@H](NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029533953	0	54	0.0	-78.51	426.49	5.68	-72.83
C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029533955	0	51	0.0	-72.01	391.18	3.58	-68.43
C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029533955	1	51	0.0	-72.03	391.05	3.58	-68.45
C[C@@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029533956	0	53	0.0	-72.31	395.65	3.90	-68.41
C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029533956	1	53	0.0	-72.59	393.70	3.75	-68.84
C[C@@H]1[C@@H](NC(=O)C[N@H+](C)CCC2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029533957	0	54	0.0	-76.82	425.01	5.77	-71.05
C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029533957	1	54	0.0	-76.76	425.07	5.77	-70.99
CC[C@@H](C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+](C)C	REAL300029533969	0	47	0.0	-69.41	356.35	2.36	-67.05
CC(COCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+]1CCCC1	REAL300029533977	0	55	0.0	-69.39	425.06	4.11	-65.28
C[C@@H]1[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534094	0	55	0.0	-75.01	416.92	4.96	-70.05
C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534157	0	55	0.0	-77.11	429.31	5.68	-71.43
C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534157	1	55	0.0	-81.08	430.02	5.61	-75.47
C[C@@H]1[C@@H](NC(=O)CC2(O)CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534268	0	52	0.0	-70.27	393.57	1.73	-68.54
COCC[N@@H+]1CCCC1CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029534277	0	55	0.0	-64.41	416.36	3.25	-61.16
COCC[N@H+]1CCCC1CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029534277	1	55	0.0	-70.23	424.24	2.80	-67.43
C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(CO)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534290	1	52	0.0	-75.68	399.35	0.52	-75.16
C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534294	0	51	0.0	-71.98	376.93	3.38	-68.60
C[C@@H]1[C@@H](NC(=O)C[N+]2=CN(C)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534299	0	43	0.0	-69.81	357.15	4.84	-64.97
C[C@@H]1[C@@H](NC(=O)C2CCC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534312	0	48	0.0	-72.17	370.56	2.96	-69.21
C[C@@H]1[C@@H](NC(=O)C2CCC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534312	1	48	0.0	-66.71	364.25	3.18	-63.53
C[C@@H]1[C@@H](NC(=O)C2CCC[N@@H+]2C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534317	0	49	0.0	-69.42	373.21	3.08	-66.34
C[C@@H]1[C@@H](NC(=O)C2CCC[N@H+]2C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534317	1	49	0.0	-66.92	378.27	3.73	-63.19
CC(C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+]1CCC1	REAL300029534358	1	45	0.0	-69.35	353.66	2.38	-66.97
CCC(CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)C[NH+](C)C	REAL300029534370	0	53	0.0	-73.44	396.90	4.03	-69.41
C[C@@H]1[C@@H](NC(=O)C(C)(C)C[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534379	0	50	0.0	-69.48	373.21	3.10	-66.38
C[C@@H]1[C@@H](NC(=O)C23CC(C2)C[N@@H+]3C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534403	0	50	0.0	-68.65	382.90	3.95	-64.70
C[C@@H]1[C@@H](NC(=O)C23CC(C2)C[N@H+]3C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534403	1	50	0.0	-70.08	382.65	4.57	-65.51
C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(O)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534431	1	49	0.0	-76.27	378.79	-0.15	-76.42
C[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534433	0	45	0.0	-70.21	355.28	2.75	-67.46
C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534433	1	45	0.0	-70.24	355.30	2.75	-67.49
CC(C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)N1CC[NH+](C)CC1	REAL300029534434	1	53	0.0	-70.63	396.93	1.16	-69.47
C[C@@H]1[C@@H](NC(=O)CC2C[NH+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534470	0	45	0.0	-72.46	357.38	2.17	-70.29
C[C@@H]1[C@@H](NC(=O)C2CC[N@@H+]2C2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534474	0	52	0.0	-71.55	398.41	4.33	-67.22
C[C@@H]1[C@@H](NC(=O)C2CC[N@H+]2C2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534474	1	52	0.0	-71.80	396.61	4.14	-67.66
C[C@@H]1[C@@H](NC(=O)C2CC[N@@H+]2C(C)(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534483	0	51	0.0	-68.21	387.74	3.10	-65.11
C[C@@H]1[C@@H](NC(=O)C2CC[N@H+]2C(C)(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534483	1	51	0.0	-69.73	369.52	2.89	-66.84
C[C@@H]1[C@@H](NC(=O)C2CCN(C3=CC=[NH+]C=C3)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534496	0	51	0.0	-73.70	402.76	1.94	-71.76
C[C@@H](C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+](C)C	REAL300029534500	0	44	0.0	-70.49	344.02	1.74	-68.75
CCC1CCC[N@H+](CC(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029534559	0	54	0.0	-72.81	399.82	4.42	-68.39
CCC1CCC[N@@H+](CC(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029534559	1	54	0.0	-72.74	399.80	4.42	-68.32
C[C@@H]1[C@@H](NC(=O)C2=CC=C(C[NH+](C)C)N2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534569	0	49	0.0	-78.99	392.57	2.77	-76.22
C[C@@H]1[C@@H](NC(=O)CC2CC3CCC(C2)[NH+]3C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534586	0	55	0.0	-69.77	404.63	4.28	-65.49
C[C@@H]1[C@@H](NC(=O)CC(C2=CC=CC=C2)[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534593	0	54	0.0	-76.91	416.08	5.35	-71.56
C[C@@H]1[C@@H](NC(=O)CN2C=CSC2=[NH2+])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534641	0	41	0.0	-68.08	352.97	1.53	-66.55
C[C@@H]1[C@@H](NC(=O)CC[N@H+](C)CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534654	0	48	0.0	-73.10	376.38	-0.66	-73.76
C[C@@H]1[C@@H](NC(=O)CC[N@@H+](C)CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534654	1	48	0.0	-72.64	376.38	-0.68	-73.32
C[C@@H](C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+](C)C	REAL300029534655	0	44	0.0	-70.49	344.02	1.74	-68.75
C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534660	0	48	0.0	-68.96	367.80	2.94	-66.02
C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534660	1	48	0.0	-69.98	358.48	2.76	-67.22
C[C@@H]1[C@@H](NC(=O)C2C[N@@H+]3CCN2CC3C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534671	0	51	0.0	-75.39	378.70	0.30	-75.09
C[C@@H]1[C@@H](NC(=O)C2C[N@H+]3CCN2CC3C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534671	1	51	0.0	-74.77	378.70	0.31	-74.46
COC1C[N@@H+]2CCCC2(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029534725	0	53	0.0	-71.84	403.83	2.30	-69.54
COC1C[N@H+]2CCCC2(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029534725	1	53	0.0	-71.41	404.09	2.32	-69.09
C[C@@H]1[C@@H](NC(=O)CC2=CC3=C[NH+]=CN3C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534743	0	46	0.0	-70.78	380.31	5.53	-65.25
C[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCSC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534780	0	49	0.0	-78.48	385.20	3.56	-74.92
C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCSC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534780	1	49	0.0	-78.07	385.17	3.57	-74.50
C[C@@H]1[C@@H](NC(=O)C2=CC=NC(C[NH+](C)C)=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534825	1	50	0.0	-71.27	400.07	2.99	-68.28
C[C@@H]1[C@@H](NC(=O)C=C2CC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534827	0	46	0.0	-74.75	363.86	2.91	-71.84
C[C@@H]1[C@@H](NC(=O)C=C2CC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534827	1	46	0.0	-74.82	363.79	2.91	-71.91
C[C@@H]1[C@@H](NC(=O)C2C[NH+](C3CCCCC3)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534858	0	55	0.0	-74.81	418.14	4.72	-70.09
C[C@@H]1[C@@H](NC(=O)COCC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534879	0	48	0.0	-71.48	381.73	2.38	-69.10
CCCCC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029534887	0	56	0.0	-74.80	430.54	4.87	-69.93
CCCCC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029534887	1	56	0.0	-74.82	430.52	4.86	-69.96
C[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534899	0	52	0.0	-72.47	403.15	3.56	-68.91
C=CCC(C)(C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+](C)C	REAL300029534911	0	51	0.0	-72.44	379.63	4.19	-68.25
C[C@@H]1[C@@H](NC(=O)C(O)CC[S+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534916	0	47	0.0	-74.21	390.76	0.99	-73.22
C[C@@H]1[C@@H](NC(=O)C2(C)CC(O)C[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534959	0	49	0.0	-75.08	373.92	-0.30	-75.38
C[C@@H]1[C@@H](NC(=O)C2CN(C)CC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534974	0	53	0.0	-70.30	396.00	1.50	-68.80
C[C@@H]1[C@@H](NC(=O)C2CN(C)CC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534974	1	53	0.0	-70.30	396.00	1.50	-68.80
CC(C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[N@@H+]1CCCC(O)C1	REAL300029534975	0	52	0.0	-69.54	396.81	0.23	-69.31
C[C@@H]1[C@@H](NC(=O)CN2CCC(CO)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534993	0	52	0.0	-75.68	399.35	0.52	-75.16
C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(CO)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534993	1	52	0.0	-75.68	399.35	0.52	-75.16
C[C@@H]1[C@@H](NC(=O)CC2(O)CCC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535004	0	52	0.0	-68.47	386.55	1.50	-66.97
C[C@@H]1[C@@H](NC(=O)CC2(O)CCC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535004	1	52	0.0	-68.47	386.55	1.50	-66.97
CC1CN(CC(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029535008	0	45	0.0	-72.34	357.20	2.42	-69.92
CC1C[NH+](CC(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029535008	1	45	0.0	-72.34	357.20	2.42	-69.92
C[C@@H]1[C@@H](NC(=O)CN2CCC(C(N)=O)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535014	0	52	0.0	-85.92	403.96	-0.10	-86.02
C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C(N)=O)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535014	1	52	0.0	-85.92	403.96	-0.10	-86.02
C[C@@H]1[C@@H](NC(=O)CN(C)CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535040	0	45	0.0	-72.99	353.96	-1.23	-74.22
C[C@@H]1[C@@H](NC(=O)C[N@H+](C)CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535040	1	45	0.0	-72.68	353.73	-1.23	-73.91
C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535040	1	45	0.0	-72.68	353.73	-1.23	-73.91
C[C@@H]1[C@@H](NC(=O)C=C2CC3CCC(C2)[NH+]3C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535073	0	53	0.0	-70.76	398.89	4.28	-66.48
C[C@@H]1[C@@H](NC(=O)C2C[N@@H+]3CCN2CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535078	0	51	0.0	-76.19	373.97	0.66	-75.53
C[C@@H]1[C@@H](NC(=O)C2C[N@H+]3CCN2CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535078	1	51	0.0	-76.19	373.97	0.66	-75.53
CC[N@@H+]1CCCC(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029535089	0	51	0.0	-66.06	381.96	3.81	-62.25
CC[N@H+]1CCCC(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029535089	1	51	0.0	-66.06	381.96	3.81	-62.25
CC(CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)C[NH+](C)C	REAL300029535091	0	50	0.0	-73.24	383.06	3.34	-69.90
CC[N@H+](C)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029535109	0	44	0.0	-72.15	343.67	2.00	-70.15
C[C@@H]1[C@@H](NC(=O)C23CCC[N@@H+]2CCCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535141	0	52	0.0	-66.18	380.29	3.92	-62.26
C[C@@H]1[C@@H](NC(=O)C23CCC[N@H+]2CCCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535141	1	52	0.0	-66.18	380.29	3.92	-62.26
C[C@@H]1[C@@H](NC(=O)C23CCC[N@@H+]2CC=CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535151	0	50	0.0	-70.51	371.30	4.24	-66.27
C[C@@H]1[C@@H](NC(=O)C23CCC[N@H+]2CC=CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535151	1	50	0.0	-70.51	371.30	4.24	-66.27
CC[N@H+](CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)C1CC1	REAL300029535184	0	48	0.0	-69.77	372.23	3.33	-66.44
CC[NH+](CC)CCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029535209	0	50	0.0	-72.23	384.09	3.25	-68.98
C[C@@H]1[C@@H](NC(=O)CCCC[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535256	0	57	0.0	-72.10	432.95	5.35	-66.75
C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(O)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535294	0	49	0.0	-72.87	382.50	-0.24	-73.11
C[C@@H]1[C@@H](NC(=O)C=CC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535307	0	45	0.0	-75.06	361.90	2.56	-72.50
CC(OCC[NH+](C)C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029535338	0	51	0.0	-69.89	401.57	3.08	-66.81
C[C@@H]1[C@@H](NC(=O)CCOCC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535351	0	51	0.0	-71.04	402.77	2.13	-68.91
COCCN(C)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029535352	0	48	0.0	-72.52	375.98	1.18	-71.34
COCC[N@H+](C)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029535352	1	48	0.0	-73.25	376.21	1.17	-72.08
COCC[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029535352	1	48	0.0	-73.25	376.21	1.17	-72.08
COCCCC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029535390	0	57	0.0	-77.72	442.69	3.15	-74.57
COCCCC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029535390	1	57	0.0	-77.72	442.69	3.15	-74.57
C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535418	0	51	0.0	-72.77	378.30	3.81	-68.96
CC(CCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+](C)C	REAL300029535421	0	50	0.0	-74.58	379.30	3.08	-71.50
CCN1CCC1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029535432	0	45	0.0	-70.10	350.70	2.07	-68.03
CC[N@@H+]1CCC1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029535432	1	45	0.0	-69.88	350.48	2.00	-67.88
CC[N@H+]1CCC1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029535432	1	45	0.0	-69.88	350.48	2.00	-67.88
CC(C)[N@@H+]1CCCC(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029535448	0	54	0.0	-65.28	398.53	4.33	-60.95
CC(C)[N@H+]1CCCC(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029535448	1	54	0.0	-65.28	398.53	4.33	-60.95
C[C@@H]1[C@@H](NC(=O)C2CCN(C3=NC=CN3C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535449	0	52	0.0	-64.15	407.47	3.84	-60.31
C[C@@H]1[C@@H](NC(=O)C2CCN(C3=[NH+]C=CN3C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535449	1	52	0.0	-64.15	407.47	3.84	-60.31
CC(C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[N@H+](C)CC1=CC=CC=C1	REAL300029535456	0	54	0.0	-73.54	420.94	5.31	-68.23
C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCCC2CO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535465	0	49	0.0	-71.52	378.97	-0.10	-71.62
C[C@@H]1[C@@H](NC(=O)C2CC3CCCC[N@@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535498	0	52	0.0	-73.15	393.29	4.04	-69.11
C[C@@H]1[C@@H](NC(=O)C2CC3CCCC[N@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535498	1	52	0.0	-73.15	393.29	4.04	-69.11
C[C@@H]1[C@@H](NC(=O)C2(C)CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535509	0	51	0.0	-70.12	383.11	3.43	-66.69
CC(C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)N1CCC(O)CC1	REAL300029535538	0	52	0.0	-72.68	396.81	0.25	-72.43
CC(C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+]1CCC(O)CC1	REAL300029535538	1	52	0.0	-72.68	396.81	0.25	-72.43
C#CC1(O)CCN(C(C)C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)CC1	REAL300029535547	0	54	0.0	-71.38	419.64	1.21	-70.17
C#CC1(O)CC[NH+](C(C)C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)CC1	REAL300029535547	1	54	0.0	-71.38	419.64	1.21	-70.17
C=CCC(C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+](C)C	REAL300029535559	0	48	0.0	-68.60	368.98	2.80	-65.80
C[C@@H]1[C@@H](NC(=O)C23CCC([NH+](C)C)(CC2)CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535572	0	58	0.0	-75.31	415.54	4.60	-70.71
C[C@@H]1[C@@H](NC(=O)C2CC(C)(C)C[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535580	0	51	0.0	-70.83	385.85	3.06	-67.77
C[C@@H]1[C@@H](NC(=O)CCCCC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535585	0	53	0.0	-72.49	412.85	4.26	-68.23
C[C@@H]1[C@@H](NC(=O)C2CCC2[N@@H+]2CCOC(C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535618	0	56	0.0	-71.99	420.94	3.32	-68.67
C[C@@H]1[C@@H](NC(=O)C2C[N@@H+]3CCN2C(C)C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535646	0	51	0.0	-77.05	378.79	0.39	-76.66
CCCC(C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+](C)C	REAL300029535648	0	50	0.0	-70.87	377.93	3.10	-67.77
C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535654	0	47	0.0	-72.95	353.21	2.51	-70.44
CC[NH+](CC)CCSCC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029535703	0	54	0.0	-73.96	428.45	4.64	-69.32
C[C@@H]1[C@@H](NC(=O)C2CCCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535715	0	48	0.0	-69.95	358.68	2.76	-67.19
C[C@@H]1[C@@H](NC(=O)CC2=CC[N@H+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535777	0	49	0.0	-69.31	385.10	3.65	-65.66
C[C@@H]1[C@@H](NC(=O)CC2=CC[N@@H+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535777	1	49	0.0	-69.31	385.10	3.65	-65.66
C[C@@H]1[C@@H](NC(=O)CC2([NH+]3CCCC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535790	0	52	0.0	-68.81	391.09	4.08	-64.73
C[C@@H]1[C@@H](NC(=O)C2(C[NH+]3CCCC3)CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535817	0	58	0.0	-65.57	420.12	5.44	-60.13
C[C@@H]1[C@@H](NC(=O)C(C)(C)C2CCC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535857	0	57	0.0	-73.77	408.16	4.03	-69.74
C[C@@H]1[C@@H](NC(=O)C(C)(C)C2CCC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535857	1	57	0.0	-73.85	408.20	4.01	-69.84
C[C@@H]1[C@@H](NC(=O)C2=CC=C(C[NH+](C)C)O2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535862	1	48	0.0	-76.49	390.46	3.14	-73.35
C[C@@H]1[C@@H](NC(=O)C2=CC=C(C[NH+](C)C)N=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535868	0	50	0.0	-75.52	399.89	2.97	-72.55
C[C@@H]1[C@@H](NC(=O)C2=CC=C(C[NH+]3CCCC3)O2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535885	0	52	0.0	-74.66	415.51	4.25	-70.41
C[C@@H]1[C@@H](NC(=O)C=CC[NH+]2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535889	0	49	0.0	-73.95	388.24	3.76	-70.19
C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535921	0	52	0.0	-72.34	399.87	4.40	-67.94
C[C@@H]1[C@@H](NC(=O)C2C[N@H+](C)CC2C(F)(F)F)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535946	0	48	0.0	-79.20	383.07	2.88	-76.32
C[C@@H]1[C@@H](NC(=O)C2C[N@@H+](C)CC2C(F)(F)F)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535946	1	48	0.0	-78.64	383.00	2.89	-75.75
C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535948	0	45	0.0	-73.77	349.75	2.36	-71.41
C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535952	0	48	0.0	-72.83	373.29	3.00	-69.83
C[C@@H]1[C@@H](NC(=O)C2CC(=O)N(C3C[NH+](C)C3)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535963	1	53	0.0	-79.63	413.70	2.22	-77.41
C[C@@H]1[C@@H](NC(=O)C2C[NH+]3CCN2CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536014	0	48	0.0	-77.50	362.16	-0.18	-77.68
C[C@@H]1[C@@H](NC(=O)C23CC(C2)C[N@@H+]3C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536025	0	46	0.0	-72.50	355.98	2.72	-69.78
C[C@@H]1[C@@H](NC(=O)C23CC(C2)C[N@H+]3C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536025	1	46	0.0	-72.69	358.24	2.50	-70.19
CC1=C(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C=NN1CC[NH+](C)C	REAL300029536041	0	54	0.0	-78.85	426.08	3.34	-75.51
C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC3CCC2C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536044	0	49	0.0	-69.79	369.88	3.23	-66.56
C[C@@H]1[C@@H](NC(=O)C[N@H+]2CC3CCC2C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536044	1	49	0.0	-69.59	369.98	3.26	-66.33
CC(C)[NH+]1CCC(CC(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)CC1	REAL300029536061	0	57	0.0	-68.14	423.47	4.90	-63.24
C[C@@H]1[C@@H](NC(=O)C=C2C[NH+]3CCC2CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536116	0	50	0.0	-68.62	382.34	3.77	-64.85
C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC3C=CC2C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536129	1	47	0.0	-68.99	364.66	3.21	-65.78
C[C@@H]1[C@@H](NC(=O)C[N@H+]2CC3C=CC2C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536129	1	47	0.0	-70.60	365.15	3.30	-67.30
C[C@@H]1[C@@H](NC(=O)C(C[NH+](C)C)C2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536172	0	54	0.0	-77.14	422.23	5.44	-71.70
CC[NH+]1CCN(CC(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)CC1	REAL300029536175	0	53	0.0	-70.53	402.23	1.49	-69.04
CC(C[NH+](C)C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029536206	0	47	0.0	-72.81	364.33	2.62	-70.19
C[C@@H]1[C@@H](NC(=O)CC2CCCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536318	0	51	0.0	-66.35	377.68	3.41	-62.94
C[C@@H]1[C@@H](NC(=O)CC2CCCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536318	1	51	0.0	-74.01	385.08	3.54	-70.47
CC1=C2C=C(C(=O)N[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@@H]3C)C=CN2C=[NH+]1	REAL300029536341	1	46	0.0	-73.27	378.29	5.41	-67.86
CC(C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+]1CC(C)C1	REAL300029536342	1	48	0.0	-69.31	374.55	2.97	-66.34
CC1CC[N@@H+]1CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029536346	1	45	0.0	-71.10	357.16	2.43	-68.67
CC1CC[N@H+]1CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029536346	1	45	0.0	-69.94	352.31	2.24	-67.70
C[C@@H]1[C@@H](NC(=O)CC(O)C[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536351	0	48	0.0	-76.23	378.34	0.37	-75.86
C[C@@H]1[C@@H](NC(=O)C2C[N@H+](C)CC(C)O2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536392	1	49	0.0	-80.15	377.81	2.49	-77.66
C[C@@H]1[C@@H](NC(=O)C2C[N@@H+](C)CC(C)O2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536392	1	49	0.0	-75.66	377.41	2.35	-73.31
C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCC(O)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536406	0	52	0.0	-76.42	401.07	0.42	-76.00
CCC[N@@H+]1CCCCC1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029536409	0	54	0.0	-69.08	397.80	4.16	-64.92
CCC[N@H+]1CCCCC1C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029536409	1	54	0.0	-68.91	397.77	4.17	-64.74
CC[NH+]1CCN(CCC(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)CC1	REAL300029536413	0	56	0.0	-72.14	424.46	2.00	-70.14
CCN1CC[NH+](CCC(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)CC1	REAL300029536413	1	56	0.0	-74.07	424.56	2.00	-72.07
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536416	0	55	0.0	-71.69	396.36	4.12	-67.57
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536416	1	55	0.0	-65.84	400.52	4.82	-61.02
CC(C)C[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)CC1	REAL300029536470	0	57	0.0	-74.22	427.14	5.11	-69.11
C[C@@H]1[C@@H](NC(=O)CN2CCC([NH+](C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536503	0	56	0.0	-71.24	419.31	2.05	-69.19
C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536528	0	48	0.0	-71.85	375.56	3.07	-68.78
CC(CC[NH+](C)C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029536538	0	50	0.0	-72.62	385.91	3.24	-69.38
C[C@@H]1[C@@H](NC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536576	0	52	0.0	-70.48	396.57	0.73	-69.75
C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536576	1	52	0.0	-70.22	396.94	0.56	-69.66
C[C@@H]1[C@@H](NC(=O)C(CC2=CC=CC=C2)[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536592	0	54	0.0	-75.93	412.61	5.19	-70.74
C[C@@H]1[C@@H](NC(=O)CN2CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536594	1	50	0.0	-71.60	384.99	0.85	-70.75
CC[NH+]1CCN(CC(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)CC1	REAL300029536607	0	53	0.0	-70.53	402.23	1.49	-69.04
C[C@@H]1[C@@H](NC(=O)CSC(N)=[NH2+])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536640	0	39	0.0	-73.31	333.78	-1.71	-75.02
CC[N@@H+]1CCOCC1CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029536694	0	52	0.0	-73.48	389.33	1.68	-71.80
C[C@@H]1[C@@H](NC(=O)C2(CC[NH+](C)C)CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536716	0	57	0.0	-74.46	427.81	4.90	-69.56
C[C@@H]1[C@@H](NC(=O)CC[NH+]2C(C)CCCC2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536718	0	57	0.0	-69.86	416.16	4.42	-65.44
C[C@@H]1[C@@H](NC(=O)C2CCC([NH+](C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536721	0	54	0.0	-74.76	404.82	4.18	-70.58
C[C@@H]1[C@@H](NC(=O)C2(CC[NH+](C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536722	0	51	0.0	-73.86	401.63	3.89	-69.97
C[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536726	0	54	0.0	-68.73	398.13	4.03	-64.70
C[C@@H]1[C@@H](NC(=O)CC2CC=CC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536727	0	49	0.0	-74.88	377.05	3.40	-71.48
C[C@@H]1[C@@H](NC(=O)CC2CC=CC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536727	1	49	0.0	-74.88	377.05	3.40	-71.48
C[C@@H](OCC[NH+](C)C)C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C	REAL300029536764	0	51	0.0	-69.80	401.53	3.09	-66.71
C[C@@H]1[C@@H](NC(=O)C2CC3CCC(C2)[NH+]3C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536808	0	52	0.0	-69.63	367.54	3.79	-65.84
C[C@@H]1[C@@H](NC(=O)C2(C3(O)CC[NH+](C)CC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536936	0	56	0.0	-69.53	416.74	2.18	-67.35
C[C@@H]1[C@@H](NC(=O)C2(CC[NH+]3CCCCC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536965	0	58	0.0	-71.32	443.23	5.74	-65.58
CC(C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@@H]1C)[NH+]1CCSCC1	REAL300029536991	1	49	0.0	-73.16	380.58	3.21	-69.95
CCC1C[NH+](CC(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029536994	1	48	0.0	-73.13	378.57	3.19	-69.94
C[C@@H]1[C@@H](NC(=O)C2C[NH+](C3CCOCC3)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536996	0	53	0.0	-77.32	409.16	2.29	-75.03
C[C@@H]1[C@@H](NC(=O)C2([NH+]3CCCC3)CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536998	0	52	0.0	-66.79	386.88	4.16	-62.63
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029537010	0	45	0.0	-71.02	345.92	1.88	-69.14
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029537010	1	45	0.0	-68.42	351.51	2.30	-66.12
C[C@@H]1[C@@H](NC(=O)CC[N@@H+]2CCC(F)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029537020	0	48	0.0	-77.67	380.53	3.16	-74.51
C[C@@H]1[C@@H](NC(=O)CC[N@H+]2CCC(F)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029537020	1	48	0.0	-77.75	380.00	3.15	-74.60
COC1C[N@H+](C)C(C)(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029537031	0	52	0.0	-73.40	394.42	1.87	-71.53
COC1C[N@@H+](C)C(C)(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029537031	1	52	0.0	-73.30	395.68	2.04	-71.26
C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029537045	0	54	0.0	-74.39	399.98	3.97	-70.42
C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029537049	0	48	0.0	-72.03	367.66	3.21	-68.82
CC1C(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)CC[N@@H+]1C	REAL300029537059	0	48	0.0	-72.22	368.01	2.83	-69.39
CC1C(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)CC[N@H+]1C	REAL300029537059	1	48	0.0	-72.03	367.97	2.83	-69.20
C[C@@H]1[C@@H](NC(=O)CCC2CCCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029537062	0	54	0.0	-70.72	406.96	4.26	-66.46
C[C@@H]1[C@@H](NC(=O)CCC2CCCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029537062	1	54	0.0	-70.57	407.23	4.26	-66.31
C[C@@H]1[C@@H](NC(=O)C2CC[N@@H+]3CCOCC23)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029537107	0	50	0.0	-75.56	385.45	1.65	-73.91
C[C@@H]1[C@@H](NC(=O)C2CC[N@H+]3CCOCC23)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029537107	1	50	0.0	-71.17	382.54	1.47	-69.70
CC1=[NH+]C=C2C=CC(C(=O)N[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@@H]3C)=CN21	REAL300029537116	0	46	0.0	-68.12	377.51	4.62	-63.50
C[C@@H]1[C@@H](NC(=O)CC2COCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029537139	1	49	0.0	-69.52	369.07	1.03	-68.49
C[C@@H]1[C@@H](NC(=O)CC2COCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029537139	1	49	0.0	-77.73	376.50	1.15	-76.58
CC1=C(C)[NH+]=C(CCC(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)N1	REAL300029537153	1	49	0.0	-67.23	396.22	2.63	-64.60
C[C@@H]1[C@@H](NC(=O)C2=CC=CC(CC[NH+](C)C)=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029537166	0	54	0.0	-74.69	426.59	5.66	-69.03
C[C@@H]1[C@@H](NC(=O)C2CC[N@@H+]2CC2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029537171	1	52	0.0	-74.92	417.32	5.35	-69.57
C[C@@H]1[C@@H](NC(=O)C2CC[N@H+]2CC2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029537171	1	52	0.0	-75.01	417.48	5.35	-69.66
CC(C)C[N@@H+]1CCCC(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029537175	0	57	0.0	-66.83	420.77	5.26	-61.57
CC(C)C[N@H+]1CCCC(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C1	REAL300029537175	1	57	0.0	-66.68	420.76	5.25	-61.43
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@@H+]1C	REAL300029537334	0	45	0.0	-66.88	350.96	2.31	-64.57
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@H+]1C	REAL300029537334	1	45	0.0	-68.89	347.41	1.96	-66.93
CC1=[NH+]C=CN1CCCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029537529	1	49	0.0	-68.26	399.74	4.36	-63.90
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCC[NH+]1CCOCC1	REAL300029537533	1	55	0.0	-74.91	427.01	3.05	-71.86
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300029537537	0	51	0.0	-78.44	403.85	4.50	-73.94
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCOCC1	REAL300029537538	1	49	0.0	-74.89	384.04	1.47	-73.42
CCC[NH+](CCC)CCCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029537560	0	59	0.0	-71.52	451.38	5.67	-65.85
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300029537592	1	43	0.0	-74.56	364.40	4.84	-69.72
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCCC([NH+](C)C)C1	REAL300029537671	0	54	0.0	-73.44	397.49	3.84	-69.60
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC[N@H+](C)C1	REAL300029537678	0	48	0.0	-73.16	375.18	3.08	-70.08
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC[N@@H+](C)C1	REAL300029537678	1	48	0.0	-72.71	375.88	3.06	-69.65
CCC(C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)[NH+](C)C	REAL300029537695	0	47	0.0	-66.59	355.27	2.28	-64.31
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300029537705	1	46	0.0	-79.95	385.49	3.11	-76.84
CC1CC2CCC(C(=O)N3CC[C@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]3C)C[N@@H+]2C1	REAL300029537755	0	55	0.0	-63.79	406.71	4.61	-59.18
CC1CC2CCC(C(=O)N3CC[C@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]3C)C[N@H+]2C1	REAL300029537755	1	55	0.0	-62.76	407.62	4.82	-57.94
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCC[NH+](C)C	REAL300029537789	0	50	0.0	-72.87	394.11	3.62	-69.25
CCC[N@H+](C)CCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029537812	0	50	0.0	-72.68	390.46	3.43	-69.25
CCC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029537812	1	50	0.0	-72.79	390.51	3.42	-69.37
CCC[N@H+](C)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029537817	0	47	0.0	-70.46	368.00	2.84	-67.62
CCC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029537817	1	47	0.0	-70.38	368.00	2.85	-67.53
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C12CC[N@H+](C1)CCC2	REAL300029537842	0	49	0.0	-72.07	363.33	2.29	-69.78
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300029537842	1	49	0.0	-71.56	361.67	2.25	-69.31
CCCCCC[N@H+](C)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029537886	0	56	0.0	-71.69	432.48	5.18	-66.51
CCCCCC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029537886	1	56	0.0	-71.60	432.48	5.18	-66.42
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCC(C)CC1	REAL300029537939	0	51	0.0	-70.41	391.45	3.93	-66.48
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300029537967	1	46	0.0	-76.75	383.39	2.49	-74.26
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)COC1CC[NH+](C)CC1	REAL300029537975	0	52	0.0	-76.54	408.67	3.56	-72.98
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCCC[N@@H+]2C1	REAL300029538037	0	52	0.0	-72.10	391.89	3.98	-68.12
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCCC[N@H+]2C1	REAL300029538037	1	52	0.0	-70.20	392.66	4.01	-66.19
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1(C[NH+](C)C)CC1	REAL300029538056	0	48	0.0	-71.04	376.78	2.96	-68.08
CC1=[NH+]C=C2CCC(C(=O)N3CC[C@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]3C)CN21	REAL300029538057	1	50	0.0	-64.84	392.31	3.84	-61.00
CC(C)[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)CC1	REAL300029538068	0	54	0.0	-72.45	403.39	4.01	-68.44
CC[N@H+](C)CCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029538103	0	47	0.0	-71.93	368.96	2.69	-69.24
CC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029538103	1	47	0.0	-72.05	368.94	2.66	-69.39
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300029538142	0	58	0.0	-71.05	430.48	5.25	-65.80
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300029538142	1	58	0.0	-69.88	429.84	5.20	-64.68
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[NH+]2CCC1CC2	REAL300029538159	0	49	0.0	-76.15	366.99	2.97	-73.18
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[NH+](C)CC1	REAL300029538250	0	48	0.0	-75.06	369.07	2.82	-72.24
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[NH+](CC2CC2)CC1	REAL300029538349	0	55	0.0	-74.57	415.59	4.77	-69.80
CC[NH+](CC)CC(F)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029538397	0	50	0.0	-70.13	386.49	3.12	-67.01
CC(C)C[N@@H+]1CCC(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C1	REAL300029538433	0	54	0.0	-71.11	411.04	4.27	-66.84
CC(C)C[N@H+]1CCC(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C1	REAL300029538433	1	54	0.0	-71.49	411.22	4.28	-67.21
CCC(C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)[NH+](CC)CC	REAL300029538466	0	53	0.0	-63.56	392.62	3.69	-59.87
CC1CCC[N@@H+]1CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029538492	0	48	0.0	-67.43	373.94	3.23	-64.20
CC1CCC[N@H+]1CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029538492	1	48	0.0	-66.65	367.45	2.81	-63.84
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029538590	1	52	0.0	-64.83	414.27	4.60	-60.23
CC(C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)[NH+]1CCCCCC1	REAL300029538594	0	54	0.0	-65.76	396.83	3.73	-62.03
CC(C)[N@@H+]1CCCC1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029538628	0	51	0.0	-66.99	374.39	3.48	-63.51
CC(C)[N@H+]1CCCC1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029538628	1	51	0.0	-65.13	383.68	3.36	-61.77
CC(C)[N@@H+]1CCCC1CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029538641	0	54	0.0	-63.08	398.46	4.00	-59.08
CC(C)[N@H+]1CCCC1CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029538641	1	54	0.0	-68.74	408.26	4.10	-64.64
CC1CC[N@H+](CC(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C1	REAL300029538698	0	48	0.0	-69.51	374.28	3.20	-66.31
CC1CC[N@@H+](CC(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C1	REAL300029538698	1	48	0.0	-69.41	374.87	3.16	-66.25
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1(F)CC[N@@H+](C(C)(C)C)C1	REAL300029538699	0	54	0.0	-65.85	406.92	3.61	-62.24
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1(F)CC[N@H+](C(C)(C)C)C1	REAL300029538699	1	54	0.0	-66.10	403.43	3.48	-62.62
CC1=[NH+]C=C2CC(C(=O)N3CC[C@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]3C)CCN21	REAL300029538700	1	50	0.0	-68.29	393.63	3.92	-64.37
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300029538702	0	54	0.0	-78.99	426.35	5.35	-73.64
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300029538704	0	51	0.0	-69.44	394.10	3.68	-65.76
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1	REAL300029538704	1	51	0.0	-69.64	393.97	3.68	-65.96
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)CC(C)(C)C	REAL300029538705	0	53	0.0	-69.94	398.56	3.98	-65.96
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C	REAL300029538705	1	53	0.0	-70.06	398.40	3.93	-66.13
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300029538706	0	54	0.0	-74.24	427.89	5.87	-68.37
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300029538706	1	54	0.0	-74.34	427.89	5.87	-68.47
CC[C@@H](C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)[NH+](C)C	REAL300029538715	0	47	0.0	-66.67	357.99	2.39	-64.28
CC(COCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)[NH+]1CCCC1	REAL300029538722	0	55	0.0	-68.28	427.42	4.22	-64.06
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCN(C)C1=CC=[NH+]C=C1	REAL300029538889	0	50	0.0	-67.24	403.39	3.11	-64.13
CC1=[NH+]C=CN1CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029539007	1	43	0.0	-66.58	358.24	3.03	-63.55
CC(C[NH+]1CCOCC1)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029539009	1	52	0.0	-73.00	397.73	1.95	-71.05
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC[NH+]1CCCCC1	REAL300029539027	0	54	0.0	-71.54	413.79	4.66	-66.88
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300029539047	1	47	0.0	-77.35	384.97	2.70	-74.65
CC1=C(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C=CC2=C[NH+]=CN21	REAL300029539049	0	46	0.0	-71.73	380.45	5.01	-66.72
CC(C)C1=[NH+]C=CN1CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029539109	1	49	0.0	-65.07	398.10	4.22	-60.85
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300029539164	0	52	0.0	-65.89	381.53	3.61	-62.28
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCCC2CCC[N@H+]21	REAL300029539164	1	52	0.0	-62.65	389.07	3.99	-58.66
CC[N@@H+]1CCOC(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C1	REAL300029539205	1	49	0.0	-70.29	372.59	2.14	-68.15
CC[N@H+]1CCOC(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C1	REAL300029539205	1	49	0.0	-78.08	380.36	2.32	-75.76
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300029539279	0	43	0.0	-73.28	364.28	4.81	-68.47
CC1=C[NH+]=CN1CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029539284	1	43	0.0	-68.95	358.65	3.78	-65.17
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300029539290	0	51	0.0	-77.71	408.41	2.55	-75.16
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300029539304	0	51	0.0	-81.60	410.47	3.19	-78.41
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300029539311	0	48	0.0	-73.81	364.97	2.39	-71.42
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300029539311	1	48	0.0	-70.93	370.11	2.91	-68.02
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029539314	1	52	0.0	-64.97	414.77	4.67	-60.30
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)CC[N@@H+]1C	REAL300029539317	0	51	0.0	-71.49	387.37	3.05	-68.44
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)CC[N@H+]1C	REAL300029539317	1	51	0.0	-71.08	386.59	3.31	-67.77
CC1CCC(C)[NH+]1CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029539340	0	51	0.0	-65.95	386.19	3.34	-62.61
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC[NH+]1CCCC1	REAL300029539350	0	51	0.0	-71.31	398.58	4.00	-67.31
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300029539351	0	51	0.0	-70.86	397.37	4.28	-66.58
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)CC1	REAL300029539360	0	50	0.0	-75.59	393.77	3.98	-71.61
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCCCC1	REAL300029539361	0	51	0.0	-71.32	392.84	3.88	-67.44
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1C=[NH+]C2=C1CCCC2	REAL300029539383	1	50	0.0	-68.02	400.43	5.50	-62.52
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1(C[NH+](C)C)CCCCC1	REAL300029539418	0	57	0.0	-74.06	394.39	4.57	-69.49
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@H+](C)C1CCCCC1	REAL300029539422	0	57	0.0	-72.81	427.30	5.06	-67.75
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@@H+](C)C1CCCCC1	REAL300029539422	1	57	0.0	-72.62	427.29	5.07	-67.55
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1([NH+](C)C)CCCC1	REAL300029539425	0	54	0.0	-73.24	392.73	3.92	-69.32
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1	REAL300029539440	1	52	0.0	-76.00	406.06	2.35	-73.65
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NNC(C2CCC[N@H+]2C)=C1	REAL300029539440	1	52	0.0	-75.83	406.02	2.38	-73.45
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)C1CCC1	REAL300029539669	0	48	0.0	-68.17	374.96	3.41	-64.76
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)C1CCC1	REAL300029539669	1	48	0.0	-67.98	375.06	3.41	-64.57
CC(C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)[NH+]1C(C)CCC1C	REAL300029539703	0	54	0.0	-64.09	399.06	3.75	-60.34
CC[NH+](CC)CC1=CC=C(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)O1	REAL300029539720	0	54	0.0	-74.90	421.65	4.39	-70.51
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCC[NH+]1CCCC1	REAL300029539725	0	54	0.0	-71.49	419.23	4.70	-66.79
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300029539728	1	51	0.0	-74.50	405.59	5.02	-69.48
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300029539728	1	51	0.0	-74.84	405.43	5.03	-69.81
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[NH+](C)CC1	REAL300029539744	0	48	0.0	-75.06	369.07	2.82	-72.24
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CCC[N@@H+]1C	REAL300029539805	0	45	0.0	-66.85	350.96	2.32	-64.53
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CCC[N@H+]1C	REAL300029539805	1	45	0.0	-68.84	347.54	1.95	-66.89
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1CCC[N@@H+]1C	REAL300029539834	0	51	0.0	-73.89	392.35	3.83	-70.06
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1CCC[N@H+]1C	REAL300029539834	1	51	0.0	-70.01	390.66	3.48	-66.53
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300029539851	0	52	0.0	-64.61	392.66	4.24	-60.37
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC2CCCC[N@H+]21	REAL300029539851	1	52	0.0	-64.67	394.31	4.24	-60.43
CCC[N@@H+]1CCCC(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C1	REAL300029539946	0	54	0.0	-64.43	401.96	4.36	-60.07
CCC[N@H+]1CCCC(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C1	REAL300029539946	1	54	0.0	-63.52	403.25	4.52	-59.00
CC(C)[N@@H+]1CCOC(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C1	REAL300029539963	1	52	0.0	-76.91	396.23	2.81	-74.10
CC(C)[N@H+]1CCOC(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C1	REAL300029539963	1	52	0.0	-70.37	389.17	2.62	-67.75
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCC(CO)CC1	REAL300029540050	0	52	0.0	-71.49	402.27	0.60	-70.89
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=C1CC2CCC(C1)[NH+]2C	REAL300029540098	0	53	0.0	-69.44	401.31	4.35	-65.09
CC1C(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)CC[N@@H+]1C	REAL300029540117	0	48	0.0	-69.44	365.42	2.47	-66.97
CC1C(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)CC[N@H+]1C	REAL300029540117	1	48	0.0	-72.58	370.92	2.65	-69.93
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1CCCC[N@@H+]1C	REAL300029540121	0	54	0.0	-69.72	409.76	4.40	-65.32
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1CCCC[N@H+]1C	REAL300029540121	1	54	0.0	-69.37	409.95	4.39	-64.98
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=C(CCC2)[NH+]=C1N	REAL300029540158	1	48	0.0	-61.61	381.63	2.14	-59.47
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300029540237	0	51	0.0	-66.20	389.49	3.13	-63.07
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@H+]1C(C)(C)C	REAL300029540237	1	51	0.0	-67.16	368.58	2.46	-64.70
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300029540257	0	51	0.0	-67.53	400.63	1.81	-65.72
C[C@@H](C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)[NH+](C)C	REAL300029540263	0	44	0.0	-68.10	345.51	1.81	-66.29
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=NC(C[NH+](C)C)=C1	REAL300029540284	1	50	0.0	-77.34	398.91	3.03	-74.31
C=CCC(C)(C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)[NH+](C)C	REAL300029540290	0	51	0.0	-71.86	372.03	3.36	-68.50
CC[NH+](CC)CCSCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029540328	0	54	0.0	-73.46	431.39	4.79	-68.67
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C(N)C2=CC=CC=C2[NH+]=C1	REAL300029540329	1	47	0.0	-64.89	378.60	1.55	-63.34
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCCC1	REAL300029540334	0	48	0.0	-71.79	376.08	3.12	-68.67
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)CCO	REAL300029540343	1	45	0.0	-70.91	356.86	-1.14	-72.05
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)CCO	REAL300029540343	1	45	0.0	-70.64	356.64	-1.14	-71.78
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@@H+]2CCN1CCC2	REAL300029540386	0	51	0.0	-77.77	371.35	0.85	-76.92
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@H+]2CCN1CCC2	REAL300029540386	1	51	0.0	-75.60	374.93	0.60	-75.00
CC(C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)[NH+]1CCSCC1	REAL300029540425	1	49	0.0	-70.47	379.94	3.08	-67.39
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC[N@H+](C)CC1	REAL300029540474	0	49	0.0	-69.36	388.00	3.78	-65.58
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC[N@@H+](C)CC1	REAL300029540474	1	49	0.0	-67.73	388.00	3.79	-63.94
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC(=O)N(C2C[NH+](C)C2)C1	REAL300029540485	1	53	0.0	-72.07	415.88	2.08	-69.99
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(O)CC[S+](C)C	REAL300029540493	0	47	0.0	-75.95	389.30	0.84	-75.11
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CN(C)CC[N@H+](C)C1	REAL300029540541	0	53	0.0	-67.48	396.66	1.24	-66.24
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CN(C)CC[N@@H+](C)C1	REAL300029540541	1	53	0.0	-68.22	395.02	1.22	-67.00
CC(C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)[N@@H+]1CCCC(O)C1	REAL300029540542	0	52	0.0	-69.30	398.12	0.24	-69.06
CC(C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)[N@H+]1CCCC(O)C1	REAL300029540542	1	52	0.0	-69.20	398.29	0.30	-68.90
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1(O)CCC[N@H+](C)C1	REAL300029540586	0	52	0.0	-70.39	386.46	1.72	-68.67
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1(O)CCC[N@@H+](C)C1	REAL300029540586	1	52	0.0	-66.61	389.81	1.61	-65.00
CC1C[NH+](CC(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C1	REAL300029540592	1	45	0.0	-70.43	360.05	2.53	-67.90
CC[N@@H+]1CCCC(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C1	REAL300029540599	0	51	0.0	-64.10	380.48	3.61	-60.49
CC[N@H+]1CCCC(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C1	REAL300029540599	1	51	0.0	-69.51	386.66	3.44	-66.07
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC=C[NH+]=C1N	REAL300029540615	0	44	0.0	-66.31	363.12	1.26	-65.05
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@@H+]1C1CC1	REAL300029540627	0	49	0.0	-64.87	382.09	3.79	-61.08
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@H+]1C1CC1	REAL300029540627	1	49	0.0	-67.23	373.67	3.12	-64.11
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC1[N@@H+]1CCOC(C)C1	REAL300029540657	0	56	0.0	-65.72	409.71	3.25	-62.47
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC1[N@H+]1CCOC(C)C1	REAL300029540657	1	56	0.0	-67.56	424.08	3.40	-64.16
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C[NH+]2CCCC2)O1	REAL300029540678	0	52	0.0	-75.41	415.38	4.41	-71.00
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=CC[NH+]1CCCC1	REAL300029540685	0	49	0.0	-73.38	388.74	3.76	-69.62
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300029540716	0	52	0.0	-72.24	398.41	4.22	-68.02
CC[N@H+](C)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029540767	0	44	0.0	-70.04	346.50	2.11	-67.93
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1CC2C=CC1C2	REAL300029540841	0	47	0.0	-66.26	367.99	3.31	-62.95
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CC2C=CC1C2	REAL300029540841	1	47	0.0	-68.07	367.95	3.38	-64.69
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+]1CC2C=CC1C2	REAL300029540841	1	47	0.0	-68.07	367.95	3.38	-64.69
CC1=CC=C(NCCC(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)[NH+]=C1	REAL300029540865	1	50	0.0	-66.40	407.73	2.87	-63.53
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[NH+]2CCN1CC2	REAL300029540946	0	48	0.0	-75.88	361.12	-0.42	-76.30
CC(OCC[NH+](C)C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029541022	0	51	0.0	-68.76	400.76	3.02	-65.74
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCOCC[NH+](C)C	REAL300029541035	0	51	0.0	-70.24	405.68	2.25	-67.99
COCC[N@H+](C)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029541037	1	48	0.0	-70.50	378.89	1.26	-69.24
COCC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029541037	1	48	0.0	-71.09	379.11	1.27	-69.82
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[NH+](C2CCOC2)C1	REAL300029541040	0	50	0.0	-75.70	394.97	1.79	-73.91
CC(CCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)[NH+](C)C	REAL300029541046	0	50	0.0	-70.19	386.16	3.22	-66.97
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=C1CC[NH+](C)CC1	REAL300029541075	0	49	0.0	-71.50	381.41	3.69	-67.81
CC[N@H+](CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)C1CC1	REAL300029541088	0	48	0.0	-66.47	377.37	3.46	-63.01
CC[N@@H+](CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)C1CC1	REAL300029541088	1	48	0.0	-67.38	375.58	3.45	-63.93
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@@H+]2CCN1C(C)C2	REAL300029541099	0	51	0.0	-70.20	364.44	1.25	-68.95
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@H+]2CCN1C(C)C2	REAL300029541099	1	51	0.0	-75.34	377.58	0.14	-75.20
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029541149	1	48	0.0	-69.64	392.91	2.10	-67.54
CC1=C(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C=NN1CC[NH+](C)C	REAL300029541155	0	54	0.0	-77.79	427.09	3.09	-74.70
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CC2CCC1C2	REAL300029541158	0	49	0.0	-67.03	373.30	3.37	-63.66
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+]1CC2CCC1C2	REAL300029541158	1	49	0.0	-67.90	375.75	3.52	-64.38
CC(C)[NH+]1CCC(CC(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)CC1	REAL300029541177	0	57	0.0	-67.73	422.74	4.80	-62.93
CC(C[NH+](C)C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029541192	0	47	0.0	-65.17	362.32	2.53	-62.64
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300029541205	0	48	0.0	-81.19	380.48	3.60	-77.59
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300029541205	1	48	0.0	-80.43	390.32	3.04	-77.39
C[C@H](C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)[NH+](C)C	REAL300029541236	0	44	0.0	-68.52	345.51	1.73	-66.79
CC[N@@H+]1CCC1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029541249	1	45	0.0	-67.59	352.98	2.11	-65.48
CC[N@H+]1CCC1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029541249	1	45	0.0	-67.35	351.89	2.04	-65.31
CC(C)[N@@H+]1CCCC(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C1	REAL300029541267	0	54	0.0	-63.44	397.14	4.14	-59.30
CC(C)[N@H+]1CCCC(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C1	REAL300029541267	1	54	0.0	-68.38	403.30	3.96	-64.42
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCN(C2=[NH+]C=CN2C)C1	REAL300029541269	1	52	0.0	-66.51	408.19	3.93	-62.58
CCC(C)(C)[NH2+]C(C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029541291	0	53	0.0	-66.19	389.91	1.73	-64.46
C#CC[N@H+]1CCCCC1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029541348	1	50	0.0	-66.96	382.91	3.70	-63.26
C#CC[N@@H+]1CCCCC1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029541348	1	50	0.0	-65.80	394.73	4.19	-61.61
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029541351	1	47	0.0	-63.76	378.33	2.03	-61.73
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C[NH+]=CC=C1N	REAL300029541353	0	41	0.0	-70.68	336.31	-0.65	-71.33
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(CC1=CC=CC=C1)[NH+](C)C	REAL300029541359	0	54	0.0	-74.19	413.97	5.24	-68.95
CCCC(C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)[NH+](C)C	REAL300029541368	0	50	0.0	-68.79	381.45	3.26	-65.53
CC(CC[NH+](C)C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029541403	0	50	0.0	-71.71	385.09	3.11	-68.60
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300029541465	0	55	0.0	-70.95	394.84	3.94	-67.01
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300029541465	1	55	0.0	-63.69	399.32	4.59	-59.10
COCCCC[N@H+](C)CCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029541548	0	57	0.0	-76.52	445.62	3.29	-73.23
COCCCC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029541548	1	57	0.0	-76.61	445.63	3.28	-73.33
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C12CCC([NH+](C)C)(CC1)CC2	REAL300029541554	0	58	0.0	-76.65	409.10	4.09	-72.56
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300029541561	0	51	0.0	-67.66	386.28	3.10	-64.56
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC(C)(C)C[N@H+]1C	REAL300029541561	1	51	0.0	-65.88	391.63	3.39	-62.49
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCCC[NH+](C)C	REAL300029541567	0	53	0.0	-71.96	415.60	4.40	-67.56
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCC(O)CC1	REAL300029541573	0	52	0.0	-75.24	403.85	0.54	-74.70
CCC[N@@H+]1CCCCC1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029541578	0	54	0.0	-68.53	400.14	4.10	-64.43
CCC[N@H+]1CCCCC1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029541578	1	54	0.0	-65.72	408.07	4.32	-61.40
CC[NH+]1CCN(CCC(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)CC1	REAL300029541587	0	56	0.0	-71.45	426.98	2.09	-69.36
CCN1CC[NH+](CCC(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)CC1	REAL300029541587	1	56	0.0	-72.78	426.28	1.98	-70.80
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1CC[NH+](C)CC1	REAL300029541591	1	50	0.0	-70.39	387.82	0.94	-69.45
CC(C)C[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)CC1	REAL300029541732	0	57	0.0	-74.60	425.90	4.93	-69.67
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@H+](C)CC(C)O1	REAL300029541736	1	49	0.0	-81.03	376.56	1.97	-79.06
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@@H+](C)CC(C)O1	REAL300029541736	1	49	0.0	-79.12	377.01	2.40	-76.72
CCC1CCC[N@H+](CC(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C1	REAL300029541778	0	54	0.0	-70.33	409.75	4.55	-65.78
CCC1CCC[N@@H+](CC(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C1	REAL300029541778	1	54	0.0	-70.34	409.76	4.55	-65.79
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C[NH+](C)C)N1	REAL300029541789	0	49	0.0	-80.22	391.46	2.76	-77.46
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CC2CC2C1	REAL300029541812	0	46	0.0	-70.03	364.34	3.33	-66.70
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1([NH+]2CCCC2)CC1	REAL300029541834	0	52	0.0	-67.38	393.87	4.22	-63.16
CC([NH2+]C1(CO)CCCC1)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029541854	0	55	0.0	-69.25	414.63	-0.53	-69.78
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCCC[N@@H+]1C	REAL300029541889	0	48	0.0	-67.78	357.52	2.54	-65.24
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCCC[N@H+]1C	REAL300029541889	1	48	0.0	-70.03	360.79	2.70	-67.33
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300029541896	1	52	0.0	-73.58	419.57	5.39	-68.19
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@H+]1CC1=CC=CC=C1	REAL300029541896	1	52	0.0	-69.32	409.40	4.89	-64.43
CC(C)C[N@@H+]1CCCC(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C1	REAL300029541903	0	57	0.0	-64.67	419.55	5.03	-59.64
CC(C)C[N@H+]1CCCC(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C1	REAL300029541903	1	57	0.0	-69.52	425.57	4.85	-64.67
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1CCC([NH+](C)C)CC1	REAL300029541969	0	56	0.0	-70.39	422.23	2.15	-68.24
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=C1CC[N@H+](C)C1	REAL300029542045	0	46	0.0	-74.20	365.74	3.03	-71.17
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=C1CC[N@@H+](C)C1	REAL300029542045	1	46	0.0	-73.97	365.87	3.02	-70.95
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CNC1=CC=[NH+]C=C1	REAL300029542053	0	44	0.0	-70.07	364.62	0.72	-69.35
CC[NH+]1CCN(CC(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)CC1	REAL300029542121	0	53	0.0	-69.36	405.05	1.58	-67.78
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=C1C[NH+]2CCC1CC2	REAL300029542124	0	50	0.0	-66.58	384.10	3.84	-62.74
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300029542187	0	52	0.0	-67.80	399.51	0.83	-66.97
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O	REAL300029542187	1	52	0.0	-66.01	400.00	0.76	-65.25
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[NH+](C2CCOCC2)C1	REAL300029542196	0	53	0.0	-75.75	412.28	2.36	-73.39
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@@H]1CCC[N@@H+]1C	REAL300029542213	0	45	0.0	-68.27	347.47	1.95	-66.32
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@@H]1CCC[N@H+]1C	REAL300029542213	1	45	0.0	-66.18	352.35	2.27	-63.91
CCN1CCOCC1CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029542253	0	52	0.0	-74.15	396.70	1.90	-72.25
CC[N@@H+]1CCOCC1CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029542253	1	52	0.0	-74.07	396.43	1.94	-72.13
CC[N@H+]1CCOCC1CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029542253	1	52	0.0	-74.07	396.43	1.94	-72.13
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)NC2=C1CCC[NH2+]2	REAL300029542260	0	49	0.0	-88.06	396.31	0.87	-87.19
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[NH+](C2CCCCC2)C1	REAL300029542283	0	55	0.0	-73.64	420.48	4.77	-68.87
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C2NC(N)=NC2=C1	REAL300029542365	0	45	0.0	-67.52	363.11	2.01	-65.51
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C2NC(N)=[NH+]C2=C1	REAL300029542365	1	45	0.0	-67.52	363.11	2.01	-65.51
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300029542418	0	48	0.0	-71.57	377.86	3.17	-68.40
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1C(C)CCCC1C	REAL300029542433	0	57	0.0	-68.52	419.34	4.49	-64.03
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC([NH+](C)C)CC1	REAL300029542436	0	54	0.0	-67.39	396.73	3.83	-63.56
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300029542440	0	54	0.0	-64.53	397.63	3.91	-60.62
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC=CC[N@@H+]1C	REAL300029542441	0	49	0.0	-64.35	375.05	3.48	-60.87
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC=CC[N@H+]1C	REAL300029542441	1	49	0.0	-73.73	379.77	3.52	-70.21
CC1=CC(C=CC(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)=C[NH+]=C1N	REAL300029542512	1	48	0.0	-72.61	393.10	2.40	-70.21
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)COCC[NH+](C)C	REAL300029542528	0	48	0.0	-70.31	384.67	2.54	-67.77
CCCCC[N@H+](C)CCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029542536	0	56	0.0	-73.65	433.44	5.00	-68.65
CCCCC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029542536	1	56	0.0	-73.64	433.46	4.99	-68.65
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300029542550	0	52	0.0	-71.70	402.54	3.52	-68.18
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1C=CSC1=[NH2+]	REAL300029542577	0	41	0.0	-65.73	355.90	1.61	-64.12
C[C@@H](OCC[NH+](C)C)C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029542676	0	51	0.0	-68.96	401.21	2.98	-65.98
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1(C2(O)CC[NH+](C)CC2)CC1	REAL300029542680	0	56	0.0	-73.19	416.08	1.71	-71.48
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCCCCC1	REAL300029542756	0	54	0.0	-73.45	402.77	4.08	-69.37
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCCCC1	REAL300029542762	0	48	0.0	-69.59	370.61	3.31	-66.28
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@H+](C)C1	REAL300029542764	0	48	0.0	-63.58	364.08	3.15	-60.43
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@@H+](C)C1	REAL300029542764	1	48	0.0	-71.72	372.31	2.92	-68.80
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCC(CO)CC1	REAL300029542766	0	52	0.0	-71.49	402.27	0.60	-70.89
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCCCCC1	REAL300029542772	0	51	0.0	-70.26	381.63	3.85	-66.41
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N+]1=CN(C)C=C1	REAL300029542779	0	43	0.0	-67.49	360.12	4.94	-62.55
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300029542800	1	48	0.0	-77.27	390.36	3.30	-73.97
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C[NH+](C)C)N=C1	REAL300029542809	0	50	0.0	-75.19	398.75	3.00	-72.19
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCC(O)CC1	REAL300029542825	0	49	0.0	-73.94	382.38	-0.02	-73.96
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)C1CC1	REAL300029542833	0	45	0.0	-67.82	358.20	2.85	-64.97
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)C1CC1	REAL300029542833	1	45	0.0	-67.20	358.06	2.86	-64.34
CC(C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)N1CC[NH+](C)CC1	REAL300029542835	1	53	0.0	-69.94	398.48	1.06	-68.88
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@@H+]1CCC(F)C1	REAL300029542843	0	48	0.0	-76.45	382.82	3.23	-73.22
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@H+]1CCC(F)C1	REAL300029542843	1	48	0.0	-76.57	383.42	3.30	-73.27
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300029542877	0	54	0.0	-80.23	425.54	5.37	-74.86
CC(CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)C[NH+](C)C	REAL300029542883	0	50	0.0	-72.37	385.98	3.48	-68.89
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@@H+]2CCOCC12	REAL300029542908	0	50	0.0	-74.75	385.75	1.61	-73.14
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@H+]2CCOCC12	REAL300029542908	1	50	0.0	-67.43	380.57	1.63	-65.80
CC1=[NH+]C=C2C=CC(C(=O)N3CC[C@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]3C)=CN21	REAL300029542917	0	46	0.0	-64.35	370.12	4.05	-60.30
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1COCC[N@@H+]1C	REAL300029542942	1	49	0.0	-66.91	372.00	1.14	-65.77
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1COCC[N@H+]1C	REAL300029542942	1	49	0.0	-76.90	378.97	1.29	-75.61
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(C[NH+](C)C)C1=CC=CC=C1	REAL300029542951	0	54	0.0	-75.43	421.83	5.29	-70.14
CC[NH+]1CCN(CC(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)CC1	REAL300029542956	0	53	0.0	-69.36	405.05	1.58	-67.78
CC1=CC(N)=[NH+]C=C1C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029543022	1	44	0.0	-70.52	356.80	0.67	-69.85
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1=CC=C(N)[NH+]=C1	REAL300029543025	0	47	0.0	-69.29	387.93	1.96	-67.33
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300029543086	0	49	0.0	-70.37	385.31	-0.17	-70.54
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+]1CCC(C)(O)C1	REAL300029543086	1	49	0.0	-69.24	384.68	-0.15	-69.39
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=NN1CC[NH+](C)C	REAL300029543096	0	51	0.0	-65.58	403.31	2.60	-62.98
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1C[NH+](C)C1	REAL300029543132	0	45	0.0	-71.65	360.08	2.29	-69.36
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@@H+]1C1CCCC1	REAL300029543138	0	52	0.0	-70.26	399.69	4.32	-65.94
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@H+]1C1CCCC1	REAL300029543138	1	52	0.0	-68.09	393.50	3.85	-64.24
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@H+](C)CCO	REAL300029543193	0	48	0.0	-71.76	379.31	-0.53	-72.29
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@@H+](C)CCO	REAL300029543193	1	48	0.0	-71.25	379.25	-0.52	-71.77
C[C@@H](C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)[NH+](C)C	REAL300029543194	0	44	0.0	-68.10	345.51	1.81	-66.29
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CCCC[N@@H+]1C	REAL300029543216	0	51	0.0	-63.68	380.65	3.53	-60.15
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CCCC[N@H+]1C	REAL300029543216	1	51	0.0	-72.99	387.75	3.64	-69.35
CC1=C2C=C(C(=O)N3CC[C@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]3C)C=CN2C=[NH+]1	REAL300029543244	1	46	0.0	-72.12	386.31	5.39	-66.73
CC(C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)[NH+]1CC(C)C1	REAL300029543245	0	48	0.0	-67.65	372.49	2.87	-64.78
CC1CC[N@@H+]1CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029543250	1	45	0.0	-68.02	354.53	2.24	-65.78
CC1CC[N@H+]1CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029543250	1	45	0.0	-68.81	360.25	2.52	-66.29
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=CC[NH+](C)C	REAL300029543266	0	45	0.0	-74.87	365.07	2.69	-72.18
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CC(C)(C)C1	REAL300029543283	1	48	0.0	-70.45	379.16	3.02	-67.43
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCC[NH+]1CCCCC1	REAL300029543298	0	57	0.0	-71.33	435.89	5.48	-65.85
CC1=C(C)[NH+]=C(CCC(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)N1	REAL300029543313	1	49	0.0	-65.61	399.12	2.76	-62.85
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=C(C[N@H+](C)CC2)S1	REAL300029543314	1	49	0.0	-78.02	398.57	4.08	-73.94
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=C(C[N@@H+](C)CC2)S1	REAL300029543314	1	49	0.0	-78.16	398.46	4.10	-74.06
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1(C2CC[NH+](C)CC2)CC1	REAL300029543325	0	55	0.0	-72.33	414.54	4.76	-67.57
CC1=C2C=C(C(=O)N3CC[C@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]3C)C=CN2C=[NH+]1	REAL300029543335	1	46	0.0	-72.12	386.31	5.39	-66.73
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CSCC[NH+](C)C	REAL300029543349	0	48	0.0	-75.75	395.69	3.42	-72.33
CC(C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)[N@H+](C)CC1=CC=CC=C1	REAL300029543369	0	54	0.0	-71.13	422.26	5.40	-65.73
CC(C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)[N@@H+](C)CC1=CC=CC=C1	REAL300029543369	1	54	0.0	-70.12	422.24	5.44	-64.68
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=C(CCCC2)[NH+]=C1N	REAL300029543373	1	51	0.0	-62.00	399.54	2.76	-59.24
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CCCC1CO	REAL300029543381	0	49	0.0	-69.19	381.85	-0.02	-69.21
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+]1CCCC1CO	REAL300029543381	1	49	0.0	-69.22	378.38	-0.48	-69.70
CC[NH+](CC)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029543384	0	47	0.0	-68.37	359.80	2.51	-65.86
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)C1CCSC1	REAL300029543401	0	49	0.0	-75.00	388.01	3.69	-71.31
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)C1CCSC1	REAL300029543401	1	49	0.0	-76.23	388.18	3.68	-72.55
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCC1	REAL300029543403	1	42	0.0	-70.29	339.24	1.91	-68.38
CC[NH+](CC)CCC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029543453	0	50	0.0	-71.06	386.52	3.40	-67.66
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCC(C(N)=O)CC1	REAL300029543475	0	52	0.0	-84.06	406.41	-0.01	-84.07
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(C[NH+](C)C)=CN1	REAL300029543527	0	49	0.0	-74.65	390.98	2.87	-71.78
CC(C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)[NH+]1CCC(O)CC1	REAL300029543548	0	52	0.0	-70.29	390.27	0.00	-70.29
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2COCC[N@@H+]2C1	REAL300029543555	0	50	0.0	-72.62	384.48	1.65	-70.97
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2COCC[N@H+]2C1	REAL300029543555	1	50	0.0	-69.97	384.99	1.68	-68.29
CC(C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)[NH+]1CCC1	REAL300029543573	0	45	0.0	-67.65	352.60	2.21	-65.44
CCC(CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)C[NH+](C)C	REAL300029543586	0	53	0.0	-72.96	399.95	3.93	-69.03
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=CC1=CC=C(N)[NH+]=C1	REAL300029543593	0	45	0.0	-72.40	375.28	1.67	-70.73
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC(C1=CC=CC=C1)[NH+](C)C	REAL300029543632	0	54	0.0	-75.93	419.31	5.49	-70.44
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CCCC[N@@H+]1C	REAL300029543668	0	48	0.0	-66.28	369.19	2.98	-63.30
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CCCC[N@H+]1C	REAL300029543668	1	48	0.0	-69.81	361.92	2.69	-67.12
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@@H+]2CCN1CC2C	REAL300029543683	0	51	0.0	-74.23	377.69	0.07	-74.16
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@H+]2CCN1CC2C	REAL300029543683	1	51	0.0	-73.21	377.80	0.07	-73.14
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC(O)C[NH+](C)C	REAL300029543713	0	48	0.0	-75.62	381.34	0.49	-75.13
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCC(C1)[NH+]2C	REAL300029543716	0	52	0.0	-68.74	356.85	3.06	-65.68
C#CC1(O)CC[NH+](C(C)C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)CC1	REAL300029543756	0	54	0.0	-72.69	415.27	0.95	-71.74
C=CCC(C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C)[NH+](C)C	REAL300029543768	0	48	0.0	-68.83	371.98	2.99	-65.84
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCCC[N@@H+]2C1	REAL300029543781	0	52	0.0	-72.10	391.89	3.98	-68.12
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCCC[N@H+]2C1	REAL300029543781	1	52	0.0	-70.20	392.66	4.01	-66.19
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1(O)CC[NH+](C)CC1	REAL300029543800	0	52	0.0	-72.34	399.71	1.76	-70.58
COCC[N@@H+]1CCCC1CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029543818	0	55	0.0	-61.53	419.31	3.38	-58.15
COCC[N@H+]1CCCC1CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)[C@H]1C	REAL300029543818	1	55	0.0	-71.24	420.24	2.51	-68.73
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC2CCC(C1)[NH+]2C	REAL300029543828	0	55	0.0	-72.05	394.95	3.91	-68.14
C[C@@H]1[C@@H](NC(=O)C2=CC=NN2CC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029543870	0	51	0.0	-69.33	405.57	2.81	-66.52
C[C@@H]1[C@@H](NC(=O)C2=CC3=C(C[N@H+](C)CC3)S2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029543912	1	49	0.0	-77.77	399.92	4.41	-73.36
C[C@@H]1[C@@H](NC(=O)C2=CC3=C(C[N@@H+](C)CC3)S2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029543912	1	49	0.0	-77.79	400.03	4.40	-73.39
C[C@@H]1[C@@H](NC(=O)C2(C3CC[NH+](C)CC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029543924	0	55	0.0	-66.91	414.02	5.09	-61.82
CC1=C2C=C(C(=O)N[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@@H]3C)C=CN2C=[NH+]1	REAL300029543937	1	46	0.0	-73.27	378.29	5.41	-67.86
C[C@@H]1[C@@H](NC(=O)CSCC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029543952	0	48	0.0	-76.23	392.75	3.26	-72.97
C[C@@H]1[C@@H](NC(=O)C2CC3COCC[N@@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029543964	0	50	0.0	-71.00	384.55	1.71	-69.29
C[C@@H]1[C@@H](NC(=O)C2CC3COCC[N@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029543964	1	50	0.0	-71.40	384.35	1.72	-69.68
C[N@@H+]1CCCC1C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029544129	0	52	0.0	-67.73	399.15	4.23	-63.50
C[N@H+]1CCCC1C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029544129	1	52	0.0	-68.75	399.80	4.33	-64.42
C[N@@H+]1CCOC(C(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029544153	1	53	0.0	-82.16	410.89	3.72	-78.44
C[N@H+]1CCOC(C(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029544153	1	53	0.0	-80.15	410.88	3.72	-76.43
CC(C)[N@@H+]1CCCC1C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029544309	0	58	0.0	-69.38	426.18	5.61	-63.77
CC(C)[N@H+]1CCCC1C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029544309	1	58	0.0	-66.01	432.53	5.51	-60.50
CC1=[NH+]C=CN1CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029544342	1	50	0.0	-67.41	403.15	5.00	-62.41
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1C[NH+]2CCC1CC2	REAL300029544370	0	56	0.0	-78.61	415.01	5.17	-73.44
C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300029544404	0	55	0.0	-69.83	410.90	4.49	-65.34
C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300029544404	1	55	0.0	-69.27	415.08	4.98	-64.29
CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300029544406	0	58	0.0	-70.89	430.83	5.08	-65.81
CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300029544406	1	58	0.0	-70.16	435.83	5.41	-64.75
CC[N@@H+]1CCOC(C(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029544413	1	56	0.0	-69.21	421.79	4.30	-64.91
CC[N@H+]1CCOC(C(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029544413	1	56	0.0	-78.38	428.67	4.36	-74.02
CC[NH+](CC)CC(F)C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029544441	0	57	0.0	-74.78	431.67	5.00	-69.78
CC1CCC(C)[NH+]1CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029544477	0	58	0.0	-68.26	421.16	4.98	-63.28
O=C(CCC[NH+]1CCCC1)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029544480	0	58	0.0	-72.33	442.53	5.87	-66.46
O=C(CC[NH+]1CCCCC1)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029544483	0	58	0.0	-71.17	437.69	5.81	-65.36
CC[N@@H+]1CCCCC1C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029544486	0	58	0.0	-66.48	433.17	5.50	-60.98
CC[N@H+]1CCCCC1C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029544486	1	58	0.0	-67.87	424.01	5.44	-62.43
C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300029544497	0	55	0.0	-75.17	407.88	4.46	-70.71
CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029544504	0	57	0.0	-66.82	422.67	5.46	-61.36
C[N@H+](CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300029544529	0	55	0.0	-69.59	419.68	5.25	-64.34
C[N@@H+](CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300029544529	1	55	0.0	-69.52	419.57	5.24	-64.28
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029544605	1	54	0.0	-66.65	419.99	5.02	-61.63
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029544605	1	54	0.0	-68.57	425.98	5.57	-63.00
C[N@@H+]1CCCC1CCC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029544610	0	58	0.0	-69.38	441.79	5.77	-63.61
C[N@H+]1CCCC1CCC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029544610	1	58	0.0	-74.29	437.45	5.58	-68.71
C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029544630	0	55	0.0	-76.12	418.31	5.07	-71.05
C[N@@H+]1CCCCC1C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029544669	0	55	0.0	-67.44	415.27	4.88	-62.56
C[N@H+]1CCCCC1C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029544669	1	55	0.0	-68.11	415.45	5.01	-63.10
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN2C=[NH+]C=C2C=C1	REAL300029544739	0	50	0.0	-72.44	403.88	6.90	-65.54
O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029544746	1	56	0.0	-74.40	428.99	3.40	-71.00
CC1=C[NH+]=CN1CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029544759	1	50	0.0	-70.22	403.24	5.62	-64.60
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CCC[NH+]1CCC2	REAL300029544780	0	56	0.0	-68.76	416.25	5.18	-63.58
C[N@@H+]1CCC(CC(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029544791	0	55	0.0	-72.10	419.76	4.84	-67.26
C[N@H+]1CCC(CC(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029544791	1	55	0.0	-74.32	420.27	4.97	-69.35
CN(C)C1=CC=[NH+]C=C1C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029544797	0	54	0.0	-78.81	424.41	4.18	-74.63
CCC(C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029544799	0	54	0.0	-67.31	402.96	4.32	-62.99
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC2=C[NH+]=CN2C=C1	REAL300029544826	1	50	0.0	-77.25	404.15	6.91	-70.34
C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029544858	0	57	0.0	-73.68	439.09	5.52	-68.16
CC(C)C(C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029544872	0	57	0.0	-65.97	417.28	4.76	-61.21
CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029544873	0	57	0.0	-73.74	435.32	5.34	-68.40
CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029544873	1	57	0.0	-73.80	435.33	5.35	-68.45
CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029544877	0	54	0.0	-71.89	412.96	4.81	-67.08
CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029544877	1	54	0.0	-71.75	412.96	4.81	-66.94
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CC[N@H+](C1)CCC2	REAL300029544892	0	56	0.0	-72.86	415.06	4.50	-68.36
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CC[N@@H+](C1)CCC2	REAL300029544892	1	56	0.0	-76.91	415.66	4.45	-72.46
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029544918	0	52	0.0	-71.28	393.35	3.81	-67.47
C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029544918	1	52	0.0	-68.06	399.18	4.23	-63.83
CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029544953	0	54	0.0	-68.38	405.28	4.47	-63.91
CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029545014	0	58	0.0	-72.09	436.31	5.88	-66.21
C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029545036	0	55	0.0	-76.19	425.09	5.18	-71.01
C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029545089	0	55	0.0	-76.12	418.31	5.07	-71.05
CC(C)[C@H](C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029545105	0	57	0.0	-69.77	420.99	5.52	-64.25
CCC(C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](CC)CC	REAL300029545133	0	60	0.0	-64.22	436.02	5.40	-58.82
CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545174	0	54	0.0	-73.02	413.83	4.61	-68.41
CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545174	1	54	0.0	-73.09	413.83	4.61	-68.48
CC1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545204	0	55	0.0	-68.01	412.15	4.65	-63.36
CC1CCC[N@H+]1CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545204	1	55	0.0	-68.17	412.12	4.65	-63.52
CC1CC[N@H+](CC(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029545206	0	55	0.0	-70.83	418.81	5.02	-65.81
CC1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029545206	1	55	0.0	-70.87	419.35	5.04	-65.83
CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029545210	0	58	0.0	-69.28	438.60	5.63	-63.65
CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029545210	1	58	0.0	-69.61	439.17	5.63	-63.98
C[N@H+](CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300029545211	0	60	0.0	-71.79	441.99	5.86	-65.93
C[N@@H+](CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300029545211	1	60	0.0	-71.24	443.75	5.86	-65.38
CC[C@@H](C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029545219	0	54	0.0	-65.75	403.19	4.34	-61.41
C[NH+](C)CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545323	0	48	0.0	-72.11	373.66	3.37	-68.74
O=C(C[NH+]1CCCCCC1)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545327	0	58	0.0	-71.30	424.81	5.45	-65.85
CN1C=C[N+](CC(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300029545330	0	50	0.0	-67.17	404.94	6.90	-60.27
C[N@@H+]1CCCC(C(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029545335	0	55	0.0	-66.62	411.82	5.10	-61.52
C[N@H+]1CCCC(C(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029545335	1	55	0.0	-65.68	411.78	5.10	-60.58
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC[N@@H+]1C1CC1	REAL300029545340	0	56	0.0	-68.77	425.99	5.25	-63.52
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC[N@H+]1C1CC1	REAL300029545340	1	56	0.0	-65.45	426.02	5.77	-59.68
CC(C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC1	REAL300029545356	1	52	0.0	-69.16	401.93	4.46	-64.70
CCC(CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300029545360	0	60	0.0	-73.54	444.97	5.88	-67.66
C[NH+](C)CC(C)(C)C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545365	0	57	0.0	-71.94	423.69	5.02	-66.92
O=C(C[NH+]1CCC(O)CC1)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545380	1	56	0.0	-76.10	426.31	1.83	-74.27
C[N@H+](CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029545381	0	52	0.0	-67.50	402.96	4.79	-62.71
C[N@@H+](CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029545381	1	52	0.0	-67.69	403.12	4.79	-62.90
C[NH+]1CC(CC(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029545397	0	52	0.0	-70.41	405.17	4.22	-66.19
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545408	0	58	0.0	-67.31	435.21	4.99	-62.32
CC(C)(C)[N@H+]1CCC1C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545408	1	58	0.0	-67.58	435.16	5.01	-62.57
C[C@@H](C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029545419	0	51	0.0	-67.70	391.65	3.79	-63.91
[NH2+]=C1SC=CN1CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545478	0	48	0.0	-68.05	400.55	3.46	-64.59
C[N@H+](CCO)CCC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545485	0	55	0.0	-73.25	424.18	1.40	-71.85
C[N@@H+](CCO)CCC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545485	1	55	0.0	-72.44	424.19	1.36	-71.08
C[C@@H](C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029545486	0	51	0.0	-67.70	391.65	3.79	-63.91
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545490	0	55	0.0	-68.52	405.99	4.84	-63.68
C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545490	1	55	0.0	-68.57	415.94	4.95	-63.62
O=C(C[NH+]1CCC1)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545540	1	49	0.0	-70.53	383.81	3.81	-66.72
C[N@@H+]1CCC(=CC(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029545559	0	53	0.0	-73.52	412.22	4.78	-68.74
C[N@H+]1CCC(=CC(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029545559	1	53	0.0	-75.25	412.32	4.81	-70.44
C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545582	0	55	0.0	-72.66	429.58	4.42	-68.24
C=CCC(C)(C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029545596	0	58	0.0	-64.99	426.85	5.25	-59.74
C[S+](C)CCC(O)C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545600	0	54	0.0	-73.77	438.33	2.92	-70.85
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545619	0	56	0.0	-72.04	421.57	1.83	-70.21
CC1CN(CC(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029545638	0	52	0.0	-71.85	403.48	4.42	-67.43
CC1C[NH+](CC(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029545638	1	52	0.0	-71.85	403.48	4.42	-67.43
CN(CCO)CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545656	0	52	0.0	-72.06	401.81	0.83	-71.23
C[N@H+](CCO)CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545656	1	52	0.0	-72.05	401.44	0.86	-71.19
C[N@@H+](CCO)CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545656	1	52	0.0	-72.05	401.44	0.86	-71.19
CC[N@@H+]1CCCC(C(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029545676	0	58	0.0	-65.15	429.48	5.76	-59.39
CC[N@H+]1CCCC(C(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029545676	1	58	0.0	-65.15	429.48	5.76	-59.39
CC(CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300029545678	0	57	0.0	-73.34	430.92	5.40	-67.94
CC[N@H+](C)CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545683	0	51	0.0	-71.40	391.46	4.06	-67.34
CC[N@H+](CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029545716	0	55	0.0	-67.53	419.80	5.31	-62.22
CC[NH+](CC)CCC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545726	0	57	0.0	-72.04	431.62	5.31	-66.73
CC1(C)CN(CC(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029545744	0	55	0.0	-71.85	424.11	4.96	-66.89
CC1(C)C[NH+](CC(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029545744	1	55	0.0	-71.85	424.11	4.96	-66.89
CC1(O)CC[N@H+](CC(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029545762	0	56	0.0	-71.17	429.60	1.78	-69.39
C[NH+](C)CC=CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545766	0	52	0.0	-74.44	410.93	4.64	-69.80
CC(OCC[NH+](C)C)C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545775	0	58	0.0	-72.67	449.37	5.13	-67.54
C[NH+](C)CCOCCC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545781	0	58	0.0	-70.95	450.56	4.12	-66.83
COCCN(C)CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545782	0	55	0.0	-72.01	423.69	3.27	-68.74
COCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545782	1	55	0.0	-72.24	424.06	3.23	-69.01
COCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545782	1	55	0.0	-72.24	424.06	3.23	-69.01
C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCCC1	REAL300029545802	0	58	0.0	-76.02	422.33	5.67	-70.35
CC(CCC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029545804	0	57	0.0	-74.03	426.33	5.05	-68.98
CCN1CCC1C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545810	0	52	0.0	-69.75	405.37	4.37	-65.38
CC[N@@H+]1CCC1C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545810	1	52	0.0	-69.27	398.22	4.03	-65.24
CC[N@H+]1CCC1C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545810	1	52	0.0	-69.27	398.22	4.03	-65.24
O=C(C[N@H+]1CCCC1CO)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545823	0	56	0.0	-68.94	423.17	1.36	-67.58
C[NH+]1CCC(C)(C(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029545845	0	58	0.0	-72.20	430.97	5.47	-66.73
C=CCC(C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029545864	0	55	0.0	-65.09	417.57	4.82	-60.27
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545871	0	58	0.0	-66.06	439.71	5.52	-60.54
C[N@H+]1CC(C)(C)CC1C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545871	1	58	0.0	-68.43	439.51	5.60	-62.83
C[NH+](C)CCCCCC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545873	0	60	0.0	-73.68	460.59	6.31	-67.37
O=C(C[NH+]1CC2CC2C1)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545878	0	53	0.0	-70.38	409.20	5.28	-65.10
CCCC(C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029545894	0	57	0.0	-68.20	424.69	5.07	-63.13
C[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545897	0	54	0.0	-72.50	401.32	4.26	-68.24
C[N@@H+]1CCCCC1C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545923	0	55	0.0	-67.44	415.27	4.88	-62.56
C[N@H+]1CCCCC1C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545923	1	55	0.0	-68.11	415.45	5.01	-63.10
C[N@H+]1CC=C(CC(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029545947	0	56	0.0	-69.57	432.87	5.72	-63.85
C[N@@H+]1CC=C(CC(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029545947	1	56	0.0	-70.04	432.87	5.71	-64.33
O=C(C=CC[NH+]1CCCC1)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545987	0	56	0.0	-73.58	436.01	5.80	-67.78
C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029546018	0	52	0.0	-74.95	396.17	4.92	-70.03
O=C(CC[NH+]1CCCC1)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029546020	0	55	0.0	-71.67	421.00	5.04	-66.63
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1C[NH+]2CCN1CC2	REAL300029546044	0	55	0.0	-78.94	410.09	1.64	-77.30
C[N@@H+]1CC2CC1(C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300029546049	0	53	0.0	-74.69	405.75	4.58	-70.11
C[N@H+]1CC2CC1(C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300029546049	1	53	0.0	-73.43	403.72	4.73	-68.70
O=C(C[N@@H+]1CC2CCC1C2)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029546056	0	56	0.0	-68.51	420.22	5.48	-63.03
O=C(C[N@H+]1CC2CCC1C2)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029546056	1	56	0.0	-68.69	418.02	5.29	-63.40
O=C(C[N@@H+]1CC2C=CC1C2)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029546096	1	54	0.0	-67.31	412.52	5.26	-62.05
O=C(C[N@H+]1CC2C=CC1C2)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029546096	1	54	0.0	-67.67	412.63	5.15	-62.52
CC(C[NH+](C)C)C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029546128	0	54	0.0	-68.48	411.68	4.74	-63.74
C[N@@H+]1CCCCC1CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029546178	0	58	0.0	-61.79	425.44	5.44	-56.35
C[N@H+]1CCCCC1CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029546178	1	58	0.0	-73.29	432.37	5.45	-67.84
CC(C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CC(C)C1	REAL300029546188	0	55	0.0	-68.61	421.67	5.12	-63.49
CC1CC[N@@H+]1CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029546190	1	52	0.0	-69.39	399.26	4.08	-65.31
CC1CC[N@H+]1CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029546190	1	52	0.0	-68.71	405.04	4.46	-64.25
C[NH+](C)CC(O)CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029546193	0	55	0.0	-76.42	426.24	2.40	-74.02
CC1C[N@H+](C)CC(C(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300029546213	1	56	0.0	-80.64	432.04	4.45	-76.19
CC1C[N@@H+](C)CC(C(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300029546213	1	56	0.0	-72.36	424.91	4.29	-68.07
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029546260	0	55	0.0	-71.13	423.18	5.01	-66.12
CC(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029546266	0	57	0.0	-73.28	433.77	5.28	-68.00
C[NH+]1CCN(CC(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029546285	1	57	0.0	-69.91	432.76	2.90	-67.01
NC(=[NH2+])SCC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029546309	0	46	0.0	-73.62	382.26	0.27	-73.35
C[NH+](C)CCC1(C(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029546338	0	58	0.0	-73.62	448.70	5.75	-67.87
C[N@@H+]1CC=CCC1CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029546339	0	56	0.0	-74.76	424.17	5.35	-69.41
C[N@H+]1CC=CCC1CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029546339	1	56	0.0	-66.69	419.69	5.27	-61.42
C[C@@H](OCC[NH+](C)C)C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029546352	0	58	0.0	-71.45	449.37	5.12	-66.33
CCC1CN(CC(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029546438	0	55	0.0	-72.40	426.11	5.13	-67.27
CCC1C[NH+](CC(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029546438	1	55	0.0	-72.40	426.11	5.13	-67.27
C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029546443	0	52	0.0	-69.85	393.46	3.80	-66.05
O=C(CC[N@H+]1CCC(F)C1)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029546449	0	55	0.0	-72.75	428.07	5.19	-67.56
CC1C(C(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300029546468	0	55	0.0	-71.00	416.34	4.49	-66.51
CC1C(C(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300029546468	1	55	0.0	-71.00	416.34	4.49	-66.51
CN1CCOCC1CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029546497	0	56	0.0	-64.54	416.84	3.06	-61.48
C[N@@H+]1CCOCC1CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029546497	1	56	0.0	-76.47	424.41	3.20	-73.27
C[N@H+]1CCOCC1CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029546497	1	56	0.0	-76.47	424.41	3.20	-73.27
C[N@@H+]1CCCC1C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029546668	0	52	0.0	-72.37	395.02	4.04	-68.33
C[N@H+]1CCCC1C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029546668	1	52	0.0	-72.37	395.02	4.04	-68.33
CN1CCOC(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029546694	0	53	0.0	-77.98	410.37	3.79	-74.19
C[N@@H+]1CCOC(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029546694	1	53	0.0	-74.35	401.62	3.56	-70.79
C[N@H+]1CCOC(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029546694	1	53	0.0	-74.35	401.62	3.56	-70.79
O=C(CC[NH+]1CCOCC1)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029546847	1	56	0.0	-78.52	431.85	3.58	-74.94
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1)C1=CC(=O)[N-]O1	REAL300029546859	0	56	0.0	-67.39	407.61	4.95	-62.44
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC1)C1=CC(=O)[N-]O1	REAL300029546865	1	50	0.0	-79.36	411.46	6.93	-72.43
C[N@@H+]1CCC(CC(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029546896	0	55	0.0	-69.49	422.83	5.15	-64.34
C[N@H+]1CCC(CC(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029546896	1	55	0.0	-76.68	422.92	5.19	-71.49
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029546902	0	54	0.0	-81.50	429.42	3.22	-78.28
CCC(C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029546904	0	54	0.0	-70.65	406.56	4.52	-66.13
C[NH+](C)CCCCC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029546942	0	57	0.0	-70.22	441.89	5.68	-64.54
CC(C)C(C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029546958	0	57	0.0	-70.38	417.76	4.93	-65.45
CCC[N@H+](C)CCC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029546959	0	57	0.0	-69.20	438.13	5.51	-63.69
CCC[N@@H+](C)CCC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029546959	1	57	0.0	-76.40	438.21	5.54	-70.86
CCC[N@H+](C)CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029546963	0	54	0.0	-73.02	415.81	4.92	-68.10
CCC[N@@H+](C)CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029546963	1	54	0.0	-73.07	415.81	4.92	-68.15
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C23CC[N@H+](C2)CCC3)CC1)C1=CC(=O)[N-]O1	REAL300029546978	0	56	0.0	-75.45	410.86	4.41	-71.04
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1)C1=CC(=O)[N-]O1	REAL300029546978	1	56	0.0	-84.19	407.32	4.25	-79.94
CC1CC[NH+](CC(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029547011	0	58	0.0	-73.41	439.18	5.99	-67.42
C[NH+](C)CC1(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029547052	0	55	0.0	-76.04	424.51	5.06	-70.98
CC[N@H+](C)CCC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029547071	0	54	0.0	-75.66	416.68	4.78	-70.88
CC[N@@H+](C)CCC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029547071	1	54	0.0	-75.64	416.70	4.78	-70.86
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2C[NH+]3CCC2CC3)CC1)C1=CC(=O)[N-]O1	REAL300029547089	0	56	0.0	-81.97	413.97	5.01	-76.96
C[NH+]1CCC(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029547138	0	55	0.0	-78.35	420.68	5.09	-73.26
CC(C)[C@H](C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029547154	0	57	0.0	-70.68	419.96	5.01	-65.67
CC[NH+](CC)CC(F)C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029547214	0	57	0.0	-74.66	434.53	5.24	-69.42
C[NH+](C)C1(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300029547235	0	55	0.0	-76.46	403.91	4.48	-71.98
CCC(C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](CC)CC	REAL300029547263	0	60	0.0	-65.59	439.45	5.69	-59.90
CC1CCC[N@@H+]1CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029547274	0	55	0.0	-63.22	415.21	4.87	-58.35
CC1CCC[N@H+]1CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029547274	1	55	0.0	-70.26	421.73	5.29	-64.97
CC(C)[N@@H+]1CCCC1C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029547320	0	58	0.0	-69.39	423.47	5.73	-63.66
CC(C)[N@H+]1CCCC1C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029547320	1	58	0.0	-70.68	427.44	5.88	-64.80
CC(C)[C@@H](C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029547329	0	57	0.0	-72.38	415.87	5.13	-67.25
CC1CC[N@H+](CC(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029547343	0	55	0.0	-65.70	422.72	5.23	-60.47
CC1CC[N@@H+](CC(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029547343	1	55	0.0	-71.93	422.04	5.18	-66.75
CC1(C)CC[N@H+](CC(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029547347	0	58	0.0	-72.41	441.82	5.75	-66.66
CC1(C)CC[N@@H+](CC(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029547347	1	58	0.0	-72.03	441.57	5.77	-66.26
C[N@H+](CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300029547348	0	60	0.0	-72.96	444.41	5.91	-67.05
C[N@@H+](CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300029547348	1	60	0.0	-72.98	446.38	6.06	-66.92
CC[C@@H](C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029547356	0	54	0.0	-68.91	400.92	4.31	-64.60
CC1=[NH+]C=CN1CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029547477	1	50	0.0	-69.37	405.01	5.07	-64.30
CC[N@@H+]1CCOC(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029547541	1	56	0.0	-76.17	428.14	4.42	-71.75
CC[N@H+]1CCOC(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029547541	1	56	0.0	-73.65	419.41	4.22	-69.43
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC1)C1=CC(=O)[N-]O1	REAL300029547571	0	50	0.0	-78.39	411.33	6.87	-71.52
CC1=C[NH+]=CN1CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029547574	1	50	0.0	-72.63	406.35	5.86	-66.77
C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300029547581	0	55	0.0	-79.15	412.36	4.55	-74.60
C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300029547581	1	55	0.0	-66.40	414.23	5.03	-61.37
CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300029547583	0	58	0.0	-75.46	434.15	5.16	-70.30
CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300029547583	1	58	0.0	-74.04	433.63	5.51	-68.53
CC1CCC(C)[NH+]1CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029547590	0	58	0.0	-62.23	433.41	5.38	-56.85
O=C(CCC[NH+]1CCCC1)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029547593	0	58	0.0	-68.38	446.36	6.08	-62.30
O=C(CC[NH+]1CCCCC1)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029547597	0	58	0.0	-74.89	440.61	5.98	-68.91
CC[N@@H+]1CCCCC1C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029547600	0	58	0.0	-68.51	423.68	5.20	-63.31
CC[N@H+]1CCCCC1C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029547600	1	58	0.0	-67.21	433.83	5.66	-61.55
C[N@H+](CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300029547698	0	55	0.0	-70.45	422.71	5.49	-64.96
C[N@@H+](CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300029547698	1	55	0.0	-70.79	422.84	5.50	-65.29
C[NH+]1CCC(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029547729	0	55	0.0	-78.35	420.68	5.09	-73.26
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029547759	0	52	0.0	-72.24	395.72	4.04	-68.20
C[N@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029547759	1	52	0.0	-69.78	398.14	4.29	-65.49
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029547777	1	54	0.0	-62.93	421.75	5.26	-57.67
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029547777	1	54	0.0	-71.41	428.49	5.68	-65.73
C[N@@H+]1CCCC1CCC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029547782	0	58	0.0	-67.87	438.11	5.54	-62.33
C[N@H+]1CCCC1CCC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029547782	1	58	0.0	-73.65	438.50	5.58	-68.07
C[N@@H+]1CCCCC1C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029547856	0	55	0.0	-66.68	408.96	4.72	-61.96
C[N@H+]1CCCCC1C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029547856	1	55	0.0	-68.59	417.09	5.11	-63.48
CC1C(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300029547914	0	55	0.0	-72.38	416.99	4.66	-67.72
CC1C(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300029547914	1	55	0.0	-72.58	413.98	4.60	-67.98
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029547970	0	58	0.0	-69.41	407.37	4.84	-64.57
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029547970	1	58	0.0	-69.40	417.36	4.40	-65.00
C[C@@H](C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029547984	0	51	0.0	-71.42	393.29	3.91	-67.51
C=CCC(C)(C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029547998	0	58	0.0	-73.12	420.46	4.90	-68.22
O=C(CC[NH+]1CCCC1)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029548015	0	55	0.0	-75.14	424.94	5.29	-69.85
C[N@H+](CCO)CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029548024	1	52	0.0	-74.01	404.66	0.95	-73.06
C[N@@H+](CCO)CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029548024	1	52	0.0	-73.37	404.44	0.94	-72.43
C[N@H+]1CC=C(CC(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029548082	0	56	0.0	-72.25	435.72	5.89	-66.36
C[N@@H+]1CC=C(CC(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029548082	1	56	0.0	-70.30	435.76	5.89	-64.41
C[S+](C)CCC(O)C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029548092	0	54	0.0	-79.52	436.42	2.93	-76.59
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029548105	0	56	0.0	-70.37	417.40	1.30	-69.07
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029548105	1	56	0.0	-68.78	418.46	1.00	-67.78
CC1C[NH+](CC(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029548135	1	52	0.0	-73.99	406.64	4.64	-69.35
CC[N@@H+]1CCCC(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029548141	0	58	0.0	-61.98	429.29	5.76	-56.22
CC[N@H+]1CCCC(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029548141	1	58	0.0	-71.80	428.28	5.56	-66.24
NC1=[NH+]C=CC=C1CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029548145	0	51	0.0	-64.96	410.77	3.35	-61.61
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300029548153	0	56	0.0	-73.92	428.29	5.45	-68.47
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2CCC[N@H+]2C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300029548153	1	56	0.0	-61.75	425.60	5.70	-56.05
O=C(C=CC[NH+]1CCCC1)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029548183	0	56	0.0	-77.64	437.78	5.93	-71.71
CC[N@H+](C)CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029548228	0	51	0.0	-72.79	394.34	4.19	-68.60
O=C(CN1CC2C=CC1C2)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029548263	0	54	0.0	-71.14	415.94	5.48	-65.66
O=C(C[N@@H+]1CC2C=CC1C2)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029548263	1	54	0.0	-71.17	415.81	5.50	-65.67
O=C(C[N@H+]1CC2C=CC1C2)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029548263	1	54	0.0	-71.17	415.81	5.50	-65.67
CC(OCC[NH+](C)C)C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029548350	0	58	0.0	-70.68	447.81	5.07	-65.61
C[NH+](C)CCOCCC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029548357	0	58	0.0	-67.30	453.36	4.33	-62.97
COCCN(C)CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029548359	0	55	0.0	-73.01	426.69	3.35	-69.66
COCC[N@H+](C)CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029548359	1	55	0.0	-74.30	426.91	3.35	-70.95
COCC[N@@H+](C)CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029548359	1	55	0.0	-74.30	426.91	3.35	-70.95
CC(CCC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029548362	0	57	0.0	-67.81	433.65	5.30	-62.51
CC[N@H+](CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029548378	0	55	0.0	-69.99	422.97	5.49	-64.50
C[N@@H+]1CC2CC1(C(=O)N1CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300029548405	0	53	0.0	-75.75	403.25	4.42	-71.33
O=C(C[N@@H+]1CC2CCC1C2)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029548414	0	56	0.0	-70.23	420.47	5.42	-64.81
O=C(C[N@H+]1CC2CCC1C2)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029548414	1	56	0.0	-70.23	420.47	5.42	-64.81
CC(C[NH+](C)C)C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029548429	0	54	0.0	-62.75	412.09	4.63	-58.12
CC[N@@H+]1CCC1C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029548466	0	52	0.0	-65.61	407.15	4.46	-61.15
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029548477	0	60	0.0	-64.60	441.13	4.00	-60.60
CNC1=NC(C)=CC=C1C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029548504	0	54	0.0	-60.50	428.86	4.09	-56.41
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029548504	1	54	0.0	-60.50	428.86	4.09	-56.41
CCCC(C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029548513	0	57	0.0	-72.65	428.54	5.33	-67.32
C[NH+](C)C(C)(C)C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029548518	0	54	0.0	-75.65	396.92	3.96	-71.69
CC(CC[NH+](C)C)C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029548532	0	57	0.0	-71.16	437.40	5.30	-65.86
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029548594	0	58	0.0	-69.55	438.62	5.51	-64.04
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029548594	1	58	0.0	-69.55	438.62	5.51	-64.04
C[NH+](C)CCCCCC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029548596	0	60	0.0	-70.13	463.39	6.46	-63.67
CN1CCN(CC(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029548603	0	57	0.0	-74.12	435.60	3.01	-71.11
C[NH+]1CCN(CC(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029548603	1	57	0.0	-74.12	435.60	3.01	-71.11
CC1CN(C)CC(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300029548656	0	56	0.0	-87.99	430.62	4.49	-83.50
CC1C[N@H+](C)CC(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300029548656	1	56	0.0	-77.91	430.57	4.48	-73.43
CC1C[N@@H+](C)CC(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300029548656	1	56	0.0	-77.91	430.57	4.48	-73.43
O=C(C[NH+]1CC2CC2C1)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029548687	0	53	0.0	-73.25	412.25	5.39	-67.86
C[N@@H+]1CCCCC1C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029548714	0	55	0.0	-68.59	417.09	5.11	-63.48
C[N@@H+]1CCC(=CC(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029548788	0	53	0.0	-77.93	413.57	5.12	-72.81
C[N@H+]1CCC(=CC(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029548788	1	53	0.0	-77.93	413.57	5.12	-72.81
O=C(CNC1=CC=[NH+]C=C1)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029548791	0	51	0.0	-66.93	412.25	2.77	-64.16
C[NH+](C)C1(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)CCCC1	REAL300029548854	0	58	0.0	-69.58	411.01	4.94	-64.64
CCC1C[NH+](CC(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029548863	0	55	0.0	-74.24	429.21	5.35	-68.89
C[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029548873	0	52	0.0	-70.22	398.45	4.36	-65.86
C[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029548873	1	52	0.0	-72.36	395.00	4.04	-68.32
NC1=CC=C(CCC(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)C=[NH+]1	REAL300029548917	0	54	0.0	-73.83	435.60	4.05	-69.78
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029548968	0	55	0.0	-74.23	425.59	5.23	-69.00
C[NH+](C)CCC1(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029548977	0	58	0.0	-74.02	450.15	5.94	-68.08
C[N@@H+]1CC=CCC1CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029548978	0	56	0.0	-67.32	422.85	5.57	-61.75
C[N@H+]1CC=CCC1CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029548978	1	56	0.0	-65.77	422.92	5.55	-60.22
C[NH+](C)CCOCC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029549014	0	55	0.0	-68.95	432.41	4.62	-64.33
[NH2+]=C1SC=CN1CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029549042	0	48	0.0	-68.56	403.65	3.69	-64.87
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029549084	0	58	0.0	-70.77	447.80	5.06	-65.71
C[N@@H+]1CCCC(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029549114	0	55	0.0	-67.95	420.55	5.02	-62.93
C[N@H+]1CCCC(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029549114	1	55	0.0	-67.95	420.55	5.02	-62.93
O=C(C[NH+]1CCCCCC1)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029549115	0	58	0.0	-71.84	427.65	5.56	-66.28
CN1C=C[N+](CC(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300029549119	0	50	0.0	-70.30	407.81	7.03	-63.27
C[N@H+](CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029549144	0	52	0.0	-64.28	405.95	4.91	-59.37
O=C(CC[N@H+]1CCC(F)C1)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029549147	0	55	0.0	-80.44	431.14	5.37	-75.07
CC(CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300029549168	0	57	0.0	-75.76	433.77	5.58	-70.18
CN1CCOCC1CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029549187	0	56	0.0	-69.98	419.75	3.23	-66.75
C[N@@H+]1CCOCC1CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029549187	1	56	0.0	-80.91	427.15	3.38	-77.53
C[N@H+]1CCOCC1CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029549187	1	56	0.0	-80.91	427.15	3.38	-77.53
CC1=CC(N)=NC=C1C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029549227	0	51	0.0	-75.40	407.53	2.76	-72.64
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029549227	1	51	0.0	-75.40	407.53	2.76	-72.64
CC1(O)CC[N@H+](CC(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029549257	0	56	0.0	-71.47	432.59	1.93	-69.54
C[NH+]1CC(CC(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029549285	0	52	0.0	-67.92	407.97	4.37	-63.55
C[N@H+](CCO)CCC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029549315	0	55	0.0	-75.04	427.04	1.53	-73.51
C[N@@H+](CCO)CCC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029549315	1	55	0.0	-75.04	427.04	1.53	-73.51
C[N@@H+]1CCCCC1CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029549333	0	58	0.0	-65.05	428.38	5.63	-59.42
C[N@H+]1CCCCC1CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029549333	1	58	0.0	-65.05	428.38	5.63	-59.42
CC1CC[N@@H+]1CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029549348	0	52	0.0	-72.21	407.91	4.58	-67.63
C[NH+](C)CC=CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029549356	0	52	0.0	-78.79	411.44	4.73	-74.06
CC1(C)CN(CC(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029549362	0	55	0.0	-73.37	426.96	5.08	-68.29
CC1(C)C[NH+](CC(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029549362	1	55	0.0	-73.37	426.96	5.08	-68.29
C[NH+](C)CCSCC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029549384	0	55	0.0	-72.92	443.43	5.52	-67.40
O=C(C[N@H+]1CCCC1CO)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029549403	0	56	0.0	-71.88	426.27	1.59	-70.29
CC[NH+](CC)CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029549407	0	54	0.0	-71.00	412.57	4.87	-66.13
O=C(CN1CCC1)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029549416	0	49	0.0	-73.42	386.67	3.92	-69.50
O=C(C[NH+]1CCC1)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029549416	1	49	0.0	-73.42	386.67	3.92	-69.50
CC[NH+](CC)CCC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029549447	0	57	0.0	-74.78	434.53	5.48	-69.30
CCC(CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300029549511	0	60	0.0	-79.69	452.27	6.19	-73.50
C[NH+](C)CC(C)(C)C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029549517	0	57	0.0	-73.19	407.57	4.95	-68.24
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029549554	0	55	0.0	-68.09	415.85	5.02	-63.07
C[NH+](C)CC(O)CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029549578	0	55	0.0	-72.42	429.13	2.56	-69.86
C=CCC(C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029549600	0	55	0.0	-68.52	417.47	4.97	-63.55
C[NH+]1CCC(C)(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029549613	0	58	0.0	-69.67	424.95	4.98	-64.69
C[NH+](C)CCSCC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029549676	0	55	0.0	-77.35	440.63	5.32	-72.03
C[N@@H+]1CCCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029549839	0	48	0.0	-81.56	355.71	2.60	-78.96
C[N@@H+]1CCOC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029549863	1	49	0.0	-63.65	368.03	2.63	-61.02
C[N@H+]1CCOC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029549863	1	49	0.0	-82.76	366.78	2.32	-80.44
CC(C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[NH+]1CCCCCC1	REAL300029550019	0	57	0.0	-65.67	406.51	4.49	-61.18
CC(C)[N@@H+]1CCCCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029550021	0	57	0.0	-67.19	401.64	4.89	-62.30
CC(C)[N@H+]1CCCCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029550021	1	57	0.0	-64.99	400.57	4.59	-60.40
CC(C)[N@@H+]1CCCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029550041	0	54	0.0	-69.07	387.78	4.67	-64.40
CC(C)[N@H+]1CCCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029550041	1	54	0.0	-66.38	398.17	4.50	-61.88
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CC2CCCC[N@@H+]2C1	REAL300029550057	0	55	0.0	-72.34	406.94	5.16	-67.18
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CC2CCCC[N@H+]2C1	REAL300029550057	1	55	0.0	-80.03	404.12	4.76	-75.27
CC(C)C1=[NH+]C=CN1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029550075	1	52	0.0	-74.90	402.17	4.80	-70.10
CC1=[NH+]C=CN1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029550100	1	46	0.0	-66.22	369.79	3.97	-62.25
CC(C[NH+]1CCOCC1)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029550101	0	55	0.0	-76.70	409.94	2.89	-73.81
O=C(CCC[NH+]1CCCCC1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029550116	0	57	0.0	-70.18	424.51	5.61	-64.57
CC(C)(C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[NH+]1CCCCC1	REAL300029550130	0	57	0.0	-69.39	406.66	5.34	-64.05
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1C[NH+]2CCC1CC2	REAL300029550138	0	52	0.0	-69.04	379.03	4.18	-64.86
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CCCC2CCC[N@@H+]21	REAL300029550173	0	55	0.0	-77.96	392.22	4.59	-73.37
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CCCC2CCC[N@H+]21	REAL300029550173	1	55	0.0	-65.60	394.78	4.94	-60.66
C[C@@H]1[C@H](C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC[N@@H+]1C	REAL300029550183	0	51	0.0	-75.67	373.88	3.32	-72.35
C[C@@H]1[C@H](C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC[N@H+]1C	REAL300029550183	1	51	0.0	-69.58	379.16	3.58	-66.00
CC[C@@H]1[C@@H](C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC[N@@H+]1C	REAL300029550187	0	54	0.0	-76.81	397.87	4.19	-72.62
CC[C@@H]1[C@@H](C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC[N@H+]1C	REAL300029550187	1	54	0.0	-67.15	397.80	4.58	-62.57
CC[N@@H+]1CCOC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029550196	1	52	0.0	-63.55	385.85	3.30	-60.25
CC[N@H+]1CCOC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029550196	1	52	0.0	-68.69	383.69	3.05	-65.64
CC[NH+](CC)CC(F)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029550235	0	53	0.0	-75.81	395.49	3.73	-72.08
CC1CCC(C)[NH+]1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029550294	0	54	0.0	-66.63	394.42	4.25	-62.38
O=C(CCC[NH+]1CCCC1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029550300	0	54	0.0	-71.85	406.40	4.84	-67.01
C#CC[NH+]1CCC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029550304	0	53	0.0	-78.88	409.59	5.16	-73.72
O=C(CC[NH+]1CCCCC1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029550305	0	54	0.0	-69.07	403.47	4.85	-64.22
CC[N@@H+]1CCCCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029550309	0	54	0.0	-60.97	399.32	4.71	-56.26
CC[N@H+]1CCCCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029550309	1	54	0.0	-64.72	398.92	4.53	-60.19
CC(C)C[N@@H+]1CCC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029550321	0	57	0.0	-71.54	422.24	5.35	-66.19
CC(C)C[N@H+]1CCC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029550321	1	57	0.0	-68.95	422.26	5.35	-63.60
C[NH+](C)C1(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CCC1	REAL300029550324	0	51	0.0	-75.32	370.78	3.47	-71.85
CC(C)[N@@H+]1CCCC1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029550326	0	57	0.0	-68.73	407.20	4.57	-64.16
CC(C)[N@H+]1CCCC1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029550326	1	57	0.0	-65.54	418.42	5.03	-60.51
CC(C)[C@@H](C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[NH+](C)C	REAL300029550337	0	53	0.0	-64.73	382.35	3.91	-60.82
C[N@H+](CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CCC1	REAL300029550374	0	51	0.0	-67.41	386.45	4.34	-63.07
C[N@@H+](CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CCC1	REAL300029550374	1	51	0.0	-68.32	386.60	4.35	-63.97
CC(C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[NH+]1C(C)CCC1C	REAL300029550418	0	57	0.0	-65.35	396.51	4.15	-61.20
C[N@@H+]1CCCC1CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029550474	0	54	0.0	-76.32	405.99	4.65	-71.67
C[N@H+]1CCCC1CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029550474	1	54	0.0	-81.00	398.04	4.10	-76.90
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C12CCC[NH+](CCC1)C2	REAL300029550481	0	55	0.0	-70.44	397.25	4.62	-65.82
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CCC2CCCC[N@@H+]21	REAL300029550484	0	55	0.0	-67.85	407.10	5.41	-62.44
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CCC2CCCC[N@H+]21	REAL300029550484	1	55	0.0	-62.12	407.72	5.36	-56.76
O=C(CCCC[NH+]1CCCC1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029550499	0	57	0.0	-72.75	430.69	5.69	-67.06
C[NH+]1CCC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029550510	0	51	0.0	-76.42	381.90	4.03	-72.39
C[NH+](C)CC1=CC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)=NO1	REAL300029550539	1	50	0.0	-82.31	396.97	3.41	-78.90
C[N@@H+]1CCCCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029550563	1	51	0.0	-70.75	369.31	3.77	-66.98
C[N@H+]1CCCCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029550563	1	51	0.0	-69.21	371.86	3.79	-65.42
CC(C)C[N@@H+]1CCCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029550582	0	57	0.0	-66.58	412.02	4.62	-61.96
CC(C)C[N@H+]1CCCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029550582	1	57	0.0	-69.44	411.01	5.88	-63.56
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=CN2C=[NH+]C=C2C=C1	REAL300029550667	0	46	0.0	-73.27	367.51	5.87	-67.40
CC1=[NH+]C=CN1CCCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029550673	1	52	0.0	-71.36	409.60	5.06	-66.30
O=C(CC[NH+]1CCOCC1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029550677	1	52	0.0	-77.94	395.93	2.52	-75.42
CC1=C[NH+]=CN1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029550702	1	46	0.0	-68.38	366.02	4.66	-63.72
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C12CCC[NH+]1CCC2	REAL300029550734	0	52	0.0	-69.44	382.76	4.10	-65.34
C[NH+](C)C1CCCC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029550754	0	57	0.0	-71.22	416.14	5.22	-66.00
C[N@@H+]1CCC(CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029550756	0	51	0.0	-71.72	383.99	3.63	-68.09
C[N@H+]1CCC(CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029550756	1	51	0.0	-75.84	385.93	3.88	-71.96
CN(C)C1=CC=[NH+]C=C1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029550767	0	50	0.0	-75.73	388.58	3.19	-72.54
CCC(C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[NH+](C)C	REAL300029550772	0	50	0.0	-63.18	367.60	3.46	-59.72
C[NH+](C)C1(CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CCCC1	REAL300029550782	0	57	0.0	-70.95	402.50	4.88	-66.07
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=CC2=C[NH+]=CN2C=C1	REAL300029550816	1	46	0.0	-75.75	369.91	5.92	-69.83
C[NH+](C)CCCCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029550861	0	53	0.0	-75.74	404.00	4.29	-71.45
CC(C)C(C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[NH+](C)C	REAL300029550879	0	53	0.0	-67.17	385.74	4.25	-62.92
CCC[N@H+](C)CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029550881	0	53	0.0	-70.38	401.07	4.36	-66.02
CCC[N@@H+](C)CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029550881	1	53	0.0	-70.67	401.08	4.37	-66.30
CCC[N@H+](C)CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029550886	0	50	0.0	-79.05	375.65	3.47	-75.58
CCC[N@@H+](C)CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029550886	1	50	0.0	-70.47	376.55	3.78	-66.69
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C12CC[N@H+](C1)CCC2	REAL300029550906	0	52	0.0	-75.73	379.11	3.30	-72.43
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C12CC[N@@H+](C1)CCC2	REAL300029550906	1	52	0.0	-75.47	382.44	3.49	-71.98
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029550938	0	48	0.0	-68.62	358.97	2.92	-65.70
C[N@H+]1CCC[C@@H]1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029550938	1	48	0.0	-69.87	365.70	3.58	-66.29
CCCCCC[N@H+](C)CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029550985	0	59	0.0	-80.16	440.14	5.81	-74.35
CCCCCC[N@@H+](C)CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029550985	1	59	0.0	-80.22	440.15	5.82	-74.40
CC[NH+](CC)C(C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C(C)C	REAL300029550988	0	59	0.0	-69.07	417.86	5.42	-63.65
CC[NH+](CC)CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029550996	0	50	0.0	-68.42	367.87	3.16	-65.26
CCC[N@@H+]1CCCC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029551027	0	57	0.0	-69.19	423.52	5.45	-63.74
CCC[N@H+]1CCCC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029551027	1	57	0.0	-61.14	416.61	5.62	-55.52
CC(C)[N@@H+]1CCOC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029551041	1	55	0.0	-77.38	411.77	3.97	-73.41
CC(C)[N@H+]1CCOC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029551041	1	55	0.0	-76.19	409.08	3.66	-72.53
CC1CC[NH+](CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029551068	0	54	0.0	-67.78	402.07	4.89	-62.89
C[NH+]1CCC(OCC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029551091	0	55	0.0	-76.17	418.26	4.19	-71.98
C[NH+](C)CC1(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029551101	0	51	0.0	-94.44	383.62	4.29	-90.15
CC(C)[NH+]1CCC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029551164	0	57	0.0	-75.19	415.60	4.96	-70.23
C[NH+]1CCC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029551180	0	51	0.0	-76.42	381.90	4.03	-72.39
CC(C)[C@H](C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[NH+](C)C	REAL300029551198	0	53	0.0	-70.71	383.93	3.96	-66.75
CCC(C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[NH+](CC)CC	REAL300029551228	0	56	0.0	-63.56	402.32	4.47	-59.09
CC[N@H+](C)CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029551278	0	50	0.0	-72.09	377.42	3.58	-68.51
CC[N@@H+](C)CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029551278	1	50	0.0	-82.55	376.49	3.27	-79.28
CC1CCC[N@@H+]1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029551327	0	51	0.0	-69.70	384.57	4.26	-65.44
CC1CCC[N@H+]1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029551327	1	51	0.0	-66.45	375.86	3.45	-63.00
CC1CC[N@H+](CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029551329	0	51	0.0	-65.86	384.57	4.11	-61.75
CC1CC[N@@H+](CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029551329	1	51	0.0	-68.62	384.92	3.98	-64.64
CC1(C)CC[N@H+](CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029551333	0	54	0.0	-69.35	405.27	4.61	-64.74
CC1(C)CC[N@@H+](CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029551333	1	54	0.0	-65.88	403.45	4.62	-61.26
C[N@H+](CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)CC(C)(C)C	REAL300029551334	0	56	0.0	-69.97	410.44	4.85	-65.12
C[N@@H+](CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)CC(C)(C)C	REAL300029551334	1	56	0.0	-70.21	410.63	4.89	-65.32
CC[C@@H](C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[NH+](C)C	REAL300029551342	0	50	0.0	-67.24	371.53	3.58	-63.66
C[NH+]1CCC(O)(CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029551484	0	55	0.0	-73.69	410.44	2.68	-71.01
C[NH+](C)CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029551495	0	44	0.0	-70.80	338.31	2.13	-68.67
O=C(C[NH+]1CCC(CO)CC1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029551499	1	55	0.0	-69.27	411.83	1.52	-67.75
O=C(C[NH+]1CCCCCC1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029551500	0	54	0.0	-69.91	390.34	4.42	-65.49
CN1C=C[N+](CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)=C1	REAL300029551504	0	46	0.0	-76.28	367.66	5.57	-70.71
C[N@@H+]1CCCC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029551510	0	51	0.0	-71.57	383.87	3.98	-67.59
C[N@H+]1CCCC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029551510	1	51	0.0	-60.90	377.11	4.21	-56.69
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CCC[N@@H+]1C1CC1	REAL300029551515	0	52	0.0	-84.02	388.39	3.99	-80.03
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CCC[N@H+]1C1CC1	REAL300029551515	1	52	0.0	-71.28	389.62	4.31	-66.97
CC(C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[NH+]1CCC1	REAL300029551539	1	48	0.0	-67.69	366.03	3.47	-64.22
CCC(CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C[NH+](C)C	REAL300029551543	0	56	0.0	-78.87	412.30	4.73	-74.14
C[NH+](C)CC(C)(C)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029551550	0	53	0.0	-74.34	387.57	3.89	-70.45
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C12CC(C1)C[N@@H+]2C1CC1	REAL300029551565	1	53	0.0	-69.84	394.99	5.01	-64.83
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C12CC(C1)C[N@H+]2C1CC1	REAL300029551565	1	53	0.0	-69.51	395.84	5.69	-63.82
O=C(C[NH+]1CCC(O)CC1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029551573	1	52	0.0	-71.40	391.23	0.86	-70.54
C[N@H+](CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CC1	REAL300029551574	0	48	0.0	-65.09	368.73	3.81	-61.28
C[N@@H+](CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CC1	REAL300029551574	1	48	0.0	-68.00	369.73	3.74	-64.26
CC(C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)N1CC[NH+](C)CC1	REAL300029551575	1	56	0.0	-70.43	411.23	1.95	-68.48
C[NH+]1CC(CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029551593	0	48	0.0	-71.73	369.76	2.95	-68.78
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CC[N@@H+]1C1CCCC1	REAL300029551597	0	55	0.0	-69.52	410.09	5.31	-64.21
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CC[N@H+]1C1CCCC1	REAL300029551597	1	55	0.0	-70.67	402.07	4.84	-65.83
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029551605	1	54	0.0	-65.05	399.75	4.07	-60.98
CC(C)(C)[N@H+]1CCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029551605	1	54	0.0	-78.09	398.04	3.80	-74.29
C[C@@H](C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[NH+](C)C	REAL300029551616	0	47	0.0	-66.97	354.71	2.75	-64.22
CCC1CCC[N@H+](CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029551648	0	57	0.0	-72.51	420.21	5.57	-66.94
CCC1CCC[N@@H+](CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029551648	1	57	0.0	-71.05	413.56	5.38	-65.67
C[NH+](C)CC1=CC=C(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)N1	REAL300029551655	0	52	0.0	-81.52	405.06	3.58	-77.94
[NH2+]=C1SC=CN1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029551697	0	44	0.0	-65.20	366.54	2.59	-62.61
C[N@H+](CCO)CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029551707	0	51	0.0	-70.76	389.94	0.41	-70.35
C[N@@H+](CCO)CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029551707	1	51	0.0	-68.88	389.92	0.39	-68.49
C[C@@H](C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[NH+](C)C	REAL300029551708	0	47	0.0	-66.97	354.71	2.75	-64.22
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029551712	1	51	0.0	-67.48	369.80	3.76	-63.72
C[N@H+]1CCCC[C@@H]1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029551712	1	51	0.0	-69.82	378.69	3.96	-65.86
CC1CN2CC[N@@H+]1CC2C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029551720	0	54	0.0	-65.56	391.04	1.34	-64.22
CC1CN2CC[N@H+]1CC2C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029551720	1	54	0.0	-68.04	388.83	1.31	-66.73
C[N@@H+]1CCC(=CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029551807	0	49	0.0	-77.29	379.23	3.90	-73.39
C[N@H+]1CCC(=CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029551807	1	49	0.0	-77.64	376.55	3.75	-73.89
C[NH+](C)CCOCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029551838	0	51	0.0	-69.79	394.18	3.16	-66.63
CCCCC[N@H+](C)CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029551843	0	59	0.0	-71.27	444.06	5.93	-65.34
CCCCC[N@@H+](C)CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029551843	1	59	0.0	-71.49	444.06	5.92	-65.57
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)O1	REAL300029551852	0	55	0.0	-71.66	418.73	4.31	-67.35
C=CCC(C)(C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[NH+](C)C	REAL300029551859	0	54	0.0	-65.07	390.59	4.34	-60.73
C[S+](C)CCC(O)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029551863	0	50	0.0	-75.99	403.48	1.82	-74.17
CN1CC(O)CC1(C)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029551888	0	52	0.0	-77.32	384.96	0.41	-76.91
C[N@@H+]1CC(O)CC1(C)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029551888	1	52	0.0	-82.81	387.52	0.56	-82.25
C[N@H+]1CC(O)CC1(C)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029551888	1	52	0.0	-82.81	387.52	0.56	-82.25
CN1CC[N@H+](C)CC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029551898	0	56	0.0	-70.77	407.87	2.53	-68.24
CN1CC[N@@H+](C)CC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029551898	1	56	0.0	-70.77	407.87	2.53	-68.24
CC(C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)N1CCCC(O)C1	REAL300029551899	0	55	0.0	-68.58	409.03	1.22	-67.36
CC(C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[N@@H+]1CCCC(O)C1	REAL300029551899	1	55	0.0	-70.55	410.06	1.18	-69.37
CC(C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[N@H+]1CCCC(O)C1	REAL300029551899	1	55	0.0	-70.55	410.06	1.18	-69.37
O=C(CN1CCC(CO)CC1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029551907	0	55	0.0	-69.27	411.83	1.52	-67.75
O=C(C[NH+]1CCC(CO)CC1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029551907	1	55	0.0	-69.27	411.83	1.52	-67.75
C[N@@H+]1CCCC(O)(CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029551916	0	55	0.0	-72.02	393.84	2.57	-69.45
C[N@H+]1CCCC(O)(CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029551916	1	55	0.0	-72.02	393.84	2.57	-69.45
CN(CCO)CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029551942	0	48	0.0	-70.26	365.40	-0.20	-70.46
C[N@H+](CCO)CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029551942	1	48	0.0	-79.80	364.57	-0.48	-80.28
C[N@@H+](CCO)CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029551942	1	48	0.0	-79.80	364.57	-0.48	-80.28
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1C[N@@H+]2CCN1CCC2	REAL300029551963	0	54	0.0	-85.16	387.42	2.29	-82.87
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1C[N@H+]2CCN1CCC2	REAL300029551963	1	54	0.0	-85.16	387.42	2.29	-82.87
CC[N@@H+]1CCCC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029551968	0	54	0.0	-69.69	400.01	4.63	-65.06
CC[N@H+]1CCCC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029551968	1	54	0.0	-69.69	400.01	4.63	-65.06
CC(CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C[NH+](C)C	REAL300029551970	0	53	0.0	-73.39	394.00	4.07	-69.32
CC[N@H+](C)CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029551977	0	47	0.0	-78.92	354.15	2.74	-76.18
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C12CCC[N@@H+]1CCCC2	REAL300029551996	0	55	0.0	-66.55	391.78	5.01	-61.54
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C12CCC[N@H+]1CCCC2	REAL300029551996	1	55	0.0	-66.55	391.78	5.01	-61.54
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C12CCC[N@@H+]1CC=CC2	REAL300029552001	0	53	0.0	-63.07	381.96	5.21	-57.86
CC[N@H+](CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CC1	REAL300029552020	0	51	0.0	-68.40	385.37	4.33	-64.07
CC[NH+](CC)CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552033	0	53	0.0	-75.19	390.65	3.75	-71.44
CC1(O)CCN(CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029552077	0	52	0.0	-77.46	391.30	0.44	-77.02
CC1(O)CC[N@H+](CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029552077	1	52	0.0	-80.67	391.90	0.43	-80.24
CC1(O)CC[N@@H+](CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029552077	1	52	0.0	-80.67	391.90	0.43	-80.24
C[NH+](C)CC=CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552084	0	48	0.0	-74.67	375.53	3.38	-71.29
CC(OCC[NH+](C)C)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552102	0	54	0.0	-71.36	415.13	4.08	-67.28
C[NH+](C)CCOCCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552109	0	54	0.0	-73.68	415.46	2.94	-70.74
COCCN(C)CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552110	0	51	0.0	-79.30	386.81	1.92	-77.38
COCC[N@H+](C)CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552110	1	51	0.0	-81.19	386.76	1.90	-79.29
COCC[N@@H+](C)CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552110	1	51	0.0	-81.19	386.76	1.90	-79.29
C[NH+](C)C1(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CCCC1	REAL300029552137	0	54	0.0	-64.14	388.19	4.76	-59.38
CC(CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[NH+](C)C	REAL300029552140	0	53	0.0	-77.10	391.06	3.85	-73.25
CCN1CCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552146	0	48	0.0	-79.61	368.17	3.11	-76.50
CC[N@@H+]1CCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552146	1	48	0.0	-79.89	367.01	3.04	-76.85
CC[N@H+]1CCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552146	1	48	0.0	-79.89	367.01	3.04	-76.85
CC(C)[N@@H+]1CCCC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029552154	0	57	0.0	-66.53	418.69	5.22	-61.31
CC(C)[N@H+]1CCCC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029552154	1	57	0.0	-66.53	418.69	5.22	-61.31
O=C(CN1CCCC1CO)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552165	0	52	0.0	-69.78	394.36	0.85	-68.93
O=C(C[N@H+]1CCCC1CO)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552165	1	52	0.0	-75.03	381.16	0.56	-74.47
O=C(C[N@@H+]1CCCC1CO)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552165	1	52	0.0	-75.03	381.16	0.56	-74.47
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CC2CCCC[N@@H+]2C1	REAL300029552187	0	55	0.0	-80.03	404.12	4.76	-75.27
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CC2CCCC[N@H+]2C1	REAL300029552187	1	55	0.0	-80.03	404.12	4.76	-75.27
C[NH+]1CCC(C)(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029552193	0	54	0.0	-73.58	397.07	4.49	-69.09
CC(C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)N1CCC(O)CC1	REAL300029552213	0	55	0.0	-71.16	402.00	1.22	-69.94
CC(C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[NH+]1CCC(O)CC1	REAL300029552213	1	55	0.0	-71.16	402.00	1.22	-69.94
C=CCC(C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[NH+](C)C	REAL300029552219	0	51	0.0	-72.30	380.52	3.60	-68.70
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552229	0	54	0.0	-69.72	397.11	3.67	-66.05
C[NH+](C)CCCCCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552232	0	56	0.0	-74.79	425.49	5.07	-69.72
CC1C[N@@H+]2CCN1C(C(=O)NC1CCCN(C(=O)C3=CC(=O)[N-]O3)CC1F)C2	REAL300029552265	0	54	0.0	-80.64	390.68	1.43	-79.21
CCCC(C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[NH+](C)C	REAL300029552266	0	53	0.0	-73.95	389.04	3.90	-70.05
C[NH+](C)C(C)(C)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552270	0	50	0.0	-71.99	364.67	3.25	-68.74
CN1CCCCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552304	0	51	0.0	-70.75	369.31	3.77	-66.98
C[N@@H+]1CCCCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552304	1	51	0.0	-69.21	371.86	3.79	-65.42
C[N@H+]1CCCCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552304	1	51	0.0	-69.21	371.86	3.79	-65.42
C[N@H+]1CC=C(CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029552336	0	52	0.0	-67.80	398.60	4.73	-63.07
C[N@@H+]1CC=C(CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029552336	1	52	0.0	-67.80	398.60	4.73	-63.07
O=C(CC1([NH+]2CCCC2)CC1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552344	0	55	0.0	-68.28	400.37	4.99	-63.29
CN(C)CC1=CC=C(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)O1	REAL300029552383	0	51	0.0	-79.11	401.35	4.08	-75.03
C[NH+](C)CC1=CC=C(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)O1	REAL300029552383	1	51	0.0	-79.11	401.35	4.08	-75.03
O=C(C=CC[NH+]1CCCC1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552397	0	52	0.0	-73.33	400.61	4.55	-68.78
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CC[NH+](C2CC2)CC1	REAL300029552416	0	55	0.0	-68.76	413.32	5.49	-63.27
O=C(CC[NH+]1CCCC1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552436	0	51	0.0	-72.36	384.04	3.98	-68.38
CN1CC2CC1(C(=O)NC1CCCN(C(=O)C3=CC(=O)[N-]O3)CC1F)C2	REAL300029552478	0	49	0.0	-88.09	368.44	3.27	-84.82
C[N@@H+]1CC2CC1(C(=O)NC1CCCN(C(=O)C3=CC(=O)[N-]O3)CC1F)C2	REAL300029552478	1	49	0.0	-66.75	367.15	3.67	-63.08
C[N@H+]1CC2CC1(C(=O)NC1CCCN(C(=O)C3=CC(=O)[N-]O3)CC1F)C2	REAL300029552478	1	49	0.0	-66.75	367.15	3.67	-63.08
O=C(C[N@@H+]1CC2CCC1C2)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552489	0	52	0.0	-77.91	381.86	4.10	-73.81
O=C(C=C1C[NH+]2CCC1CC2)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552526	0	53	0.0	-67.41	394.79	4.54	-62.87
CC(C[NH+](C)C)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552578	0	50	0.0	-71.74	375.69	3.63	-68.11
C[N@@H+]1CCCCC1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552641	0	54	0.0	-77.15	399.58	4.53	-72.62
C[N@H+]1CCCCC1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552641	1	54	0.0	-77.15	399.58	4.53	-72.62
CC(C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)N1CC(C)C1	REAL300029552655	0	51	0.0	-71.08	388.61	4.27	-66.81
CC(C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[NH+]1CC(C)C1	REAL300029552655	1	51	0.0	-71.08	388.61	4.27	-66.81
CC1CCN1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552658	0	48	0.0	-65.17	364.25	3.21	-61.96
CC1CC[N@@H+]1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552658	1	48	0.0	-69.84	369.27	3.42	-66.42
CC1CC[N@H+]1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552658	1	48	0.0	-69.84	369.27	3.42	-66.42
C[NH+](C)CC(O)CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552661	0	51	0.0	-74.97	390.87	1.12	-73.85
CC1CN(C)CC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)O1	REAL300029552685	0	52	0.0	-82.89	390.02	2.94	-79.95
CC1C[N@H+](C)CC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)O1	REAL300029552685	1	52	0.0	-82.78	395.87	3.51	-79.27
CC1C[N@@H+](C)CC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)O1	REAL300029552685	1	52	0.0	-82.78	395.87	3.51	-79.27
O=C(CC[NH+]1CCC(O)CC1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552693	0	55	0.0	-75.22	411.96	1.42	-73.80
CCC[N@@H+]1CCCCC1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552695	0	57	0.0	-75.99	417.56	5.08	-70.91
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029552755	0	51	0.0	-74.40	387.30	3.84	-70.56
CC(CC[NH+](C)C)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552762	0	53	0.0	-72.74	397.33	4.25	-68.49
C[N@H+](CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[C@@H]1CCC[C@H]1O	REAL300029552780	0	55	0.0	-76.90	407.55	1.28	-75.62
CN1CCN(CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029552788	0	53	0.0	-68.70	397.70	1.86	-66.84
C[NH+]1CCN(CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029552788	1	53	0.0	-68.70	397.70	1.86	-66.84
NC(=[NH2+])SCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552817	0	42	0.0	-71.76	346.84	-1.00	-72.76
CC[N@H+]1CCOCC1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552844	1	55	0.0	-82.22	399.95	2.43	-79.79
C[NH+](C)C1CCC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029552857	0	57	0.0	-81.04	419.18	5.20	-75.84
C[NH+](C)CCC1(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029552858	0	54	0.0	-77.65	413.71	4.92	-72.73
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029552859	0	57	0.0	-62.92	410.22	5.03	-57.89
C[N@@H+]1CC=CCC1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552860	0	52	0.0	-62.70	384.03	4.35	-58.35
C[N@H+]1CC=CCC1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552860	1	52	0.0	-60.02	386.51	4.33	-55.69
C[C@@H](OCC[NH+](C)C)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552881	0	54	0.0	-73.12	413.51	4.12	-69.00
C[NH+]1C2CCC1CC(C(=O)NC1CCCN(C(=O)C3=CC(=O)[N-]O3)CC1F)C2	REAL300029552905	0	55	0.0	-70.47	381.63	4.86	-65.61
CCC1CN(CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029552997	0	51	0.0	-70.58	389.85	3.93	-66.65
CCC1C[NH+](CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029552997	1	51	0.0	-70.58	389.85	3.93	-66.65
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1([NH+]2CCCC2)CCC1	REAL300029552999	0	55	0.0	-64.55	399.85	5.17	-59.38
C[N@@H+]1CCC[C@H]1C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029553006	0	48	0.0	-71.73	357.44	2.87	-68.86
O=C(CC[N@H+]1CCC(F)C1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029553013	0	51	0.0	-80.16	391.75	3.88	-76.28
COC1CN(C)C(C)(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029553021	0	55	0.0	-62.26	403.13	2.86	-59.40
COC1C[N@H+](C)C(C)(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029553021	1	55	0.0	-72.42	409.26	2.82	-69.60
COC1C[N@@H+](C)C(C)(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029553021	1	55	0.0	-72.42	409.26	2.82	-69.60
O=C(CC[NH+]1CCCCCC1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029553028	0	57	0.0	-70.19	413.50	5.04	-65.15
O=C(CN1CCCCC1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029553030	0	51	0.0	-75.27	380.33	4.05	-71.22
O=C(C[NH+]1CCCCC1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029553030	1	51	0.0	-75.27	380.33	4.05	-71.22
CC1C(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC[N@@H+]1C	REAL300029553039	0	51	0.0	-73.22	376.97	3.74	-69.48
CC1C(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC[N@H+]1C	REAL300029553039	1	51	0.0	-73.22	376.97	3.74	-69.48
C[N@@H+]1CCCCC1CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029553041	0	57	0.0	-71.48	418.48	5.28	-66.20
C[N@H+]1CCCCC1CCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029553041	1	57	0.0	-71.48	418.48	5.28	-66.20
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CC[N@@H+]2CCOCC12	REAL300029553063	0	53	0.0	-79.26	399.28	2.63	-76.63
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CC[N@H+]2CCOCC12	REAL300029553063	1	53	0.0	-79.26	399.28	2.63	-76.63
CN1CCOCC1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029553080	0	52	0.0	-68.54	382.47	2.03	-66.51
C[N@@H+]1CCOCC1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029553080	1	52	0.0	-73.20	388.73	2.19	-71.01
C[N@H+]1CCOCC1CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029553080	1	52	0.0	-73.20	388.73	2.19	-71.01
CC1=C(C)NC(CCC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)=N1	REAL300029553087	0	52	0.0	-66.76	407.56	3.65	-63.11
CC1=C(C)[NH+]=C(CCC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)N1	REAL300029553087	1	52	0.0	-66.76	407.56	3.65	-63.11
C[N@@H+]1CCCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029553256	0	48	0.0	-69.69	365.58	3.42	-66.27
CN1CCOC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029553282	0	49	0.0	-86.99	373.87	2.63	-84.36
C[N@@H+]1CCOC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029553282	1	49	0.0	-91.89	375.80	2.76	-89.13
C[N@H+]1CCOC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029553282	1	49	0.0	-91.89	375.80	2.76	-89.13
CC1=NC=CN1CCCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029553439	0	52	0.0	-69.78	412.42	5.17	-64.61
CC1=[NH+]C=CN1CCCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029553439	1	52	0.0	-69.78	412.42	5.17	-64.61
O=C(CCN1CCOCC1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029553443	0	52	0.0	-78.60	397.67	2.61	-75.99
O=C(CC[NH+]1CCOCC1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029553443	1	52	0.0	-78.60	397.67	2.61	-75.99
O=C(NC1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1F)C1=CC(=O)[N-]O1	REAL300029553463	0	52	0.0	-72.85	376.64	3.71	-69.14
O=C(NC1CCCN(C(=O)C2=CC3=CN=CN3C=C2)CC1F)C1=CC(=O)[N-]O1	REAL300029553471	0	46	0.0	-82.27	377.80	5.90	-76.37
O=C(NC1CCCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC1F)C1=CC(=O)[N-]O1	REAL300029553471	1	46	0.0	-82.27	377.80	5.90	-76.37
C[NH+](C)C1CCCC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029553519	0	57	0.0	-61.87	420.32	5.15	-56.72
C[N@@H+]1CCC(CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029553521	0	51	0.0	-77.32	391.34	4.14	-73.18
C[N@H+]1CCC(CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029553521	1	51	0.0	-77.32	391.34	4.14	-73.18
CCC(C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+](C)C	REAL300029553537	0	50	0.0	-68.68	369.95	3.24	-65.44
C[NH+](C)CCCCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029553589	0	53	0.0	-80.51	408.76	4.73	-75.78
CC(C)C(C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+](C)C	REAL300029553609	0	53	0.0	-75.75	385.71	3.96	-71.79
CCC[N@H+](C)CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029553611	0	53	0.0	-76.34	403.99	4.56	-71.78
CCC[N@@H+](C)CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029553611	1	53	0.0	-76.34	403.99	4.56	-71.78
CCC[N@H+](C)CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029553616	0	50	0.0	-79.59	382.63	3.95	-75.64
CCC[N@@H+](C)CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029553616	1	50	0.0	-79.59	382.63	3.95	-75.64
O=C(NC1CCCN(C(=O)C23CC[N@H+](C2)CCC3)CC1F)C1=CC(=O)[N-]O1	REAL300029553636	0	52	0.0	-65.65	377.25	3.36	-62.29
O=C(NC1CCCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1F)C1=CC(=O)[N-]O1	REAL300029553636	1	52	0.0	-65.65	377.25	3.36	-62.29
CCCCCC[N@H+](C)CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029553659	0	59	0.0	-74.41	446.63	6.34	-68.07
CCCCCC[N@@H+](C)CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029553659	1	59	0.0	-74.41	446.63	6.34	-68.07
CC[NH+](CC)C(C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)C(C)C	REAL300029553662	0	59	0.0	-75.59	409.70	5.29	-70.30
C[NH+]1CCC(OCC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029553714	0	55	0.0	-82.27	420.83	4.35	-77.92
O=C(NC1CCCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC1F)C1=CC(=O)[N-]O1	REAL300029553753	0	55	0.0	-74.15	409.74	5.21	-68.94
O=C(NC1CCCN(C(=O)C2CC3CCCC[N@H+]3C2)CC1F)C1=CC(=O)[N-]O1	REAL300029553753	1	55	0.0	-74.15	409.74	5.21	-68.94
C[NH+](C)CC1(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029553762	0	51	0.0	-77.28	390.19	4.06	-73.22
CC(C)[NH+]1CCC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029553772	0	57	0.0	-64.28	416.54	4.97	-59.31
CC[N@H+](C)CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029553788	0	50	0.0	-75.54	382.49	3.82	-71.72
CC[N@@H+](C)CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029553788	1	50	0.0	-75.54	382.49	3.82	-71.72
CC(C)(C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+]1CCCCC1	REAL300029553809	0	57	0.0	-77.07	393.26	4.76	-72.31
O=C(NC1CCCN(C(=O)C2C[NH+]3CCC2CC3)CC1F)C1=CC(=O)[N-]O1	REAL300029553817	0	52	0.0	-73.69	382.34	4.17	-69.52
C[NH+]1CCC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029553880	0	51	0.0	-83.15	384.80	4.01	-79.14
CC(C)[C@H](C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+](C)C	REAL300029553898	0	53	0.0	-76.85	385.07	4.06	-72.79
CC[NH+](CC)CC(F)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029553981	0	53	0.0	-58.38	401.11	4.13	-54.25
CC(C)C[N@@H+]1CCC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029554009	0	57	0.0	-71.09	427.29	5.19	-65.90
CC(C)C[N@H+]1CCC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029554009	1	57	0.0	-74.90	423.64	5.38	-69.52
C[NH+](C)C1(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CCC1	REAL300029554012	0	51	0.0	-79.94	368.34	3.39	-76.55
CCC(C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+](CC)CC	REAL300029554042	0	56	0.0	-64.23	402.56	4.37	-59.86
CC1CCC[N@@H+]1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029554059	0	51	0.0	-67.79	385.91	4.11	-63.68
CC1CCC[N@H+]1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029554059	1	51	0.0	-73.37	388.65	4.05	-69.32
CC(C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+]1CCCCCC1	REAL300029554107	0	57	0.0	-71.98	407.72	4.61	-67.37
CC(C)[N@@H+]1CCCCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029554109	0	57	0.0	-72.01	412.27	4.92	-67.09
CC(C)[N@H+]1CCCCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029554109	1	57	0.0	-71.95	402.53	4.36	-67.59
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029554129	0	54	0.0	-72.64	394.36	4.04	-68.60
CC(C)[N@H+]1CCCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029554129	1	54	0.0	-67.06	381.57	3.80	-63.26
CC(C)[N@@H+]1CCCC1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029554135	0	57	0.0	-70.50	414.91	4.62	-65.88
CC(C)[N@H+]1CCCC1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029554135	1	57	0.0	-65.70	414.34	4.61	-61.09
CC(C)[C@@H](C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+](C)C	REAL300029554146	0	53	0.0	-73.88	379.54	3.70	-70.18
CC1CC[N@H+](CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029554164	0	51	0.0	-76.38	386.18	3.87	-72.51
CC1CC[N@@H+](CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029554164	1	51	0.0	-76.69	386.88	3.91	-72.78
CC1(C)CC[N@H+](CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029554168	0	54	0.0	-78.81	408.42	4.79	-74.02
CC1(C)CC[N@@H+](CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029554168	1	54	0.0	-69.87	406.02	4.69	-65.18
C[N@H+](CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)CC(C)(C)C	REAL300029554169	0	56	0.0	-77.81	410.06	4.97	-72.84
C[N@@H+](CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)CC(C)(C)C	REAL300029554169	1	56	0.0	-73.14	412.70	5.11	-68.03
CC[C@@H](C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+](C)C	REAL300029554177	0	50	0.0	-72.91	373.07	3.61	-69.30
CC1=[NH+]C=CN1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029554347	1	46	0.0	-74.42	371.66	4.17	-70.25
CC(C[NH+]1CCOCC1)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029554348	0	55	0.0	-81.45	408.62	2.96	-78.49
O=C(CCC[NH+]1CCCCC1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029554363	0	57	0.0	-72.91	426.95	5.49	-67.42
C[NH+](C)CC1=CC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)=NO1	REAL300029554375	1	50	0.0	-74.97	396.90	3.97	-71.00
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029554404	1	52	0.0	-65.35	406.65	5.17	-60.18
O=C(NC1CCCN(C(=O)C2CCCC3CCC[N@@H+]32)CC1F)C1=CC(=O)[N-]O1	REAL300029554432	0	55	0.0	-71.97	391.84	4.37	-67.60
O=C(NC1CCCN(C(=O)C2CCCC3CCC[N@H+]32)CC1F)C1=CC(=O)[N-]O1	REAL300029554432	1	55	0.0	-71.40	393.11	4.40	-67.00
CC[N@@H+]1CCOC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029554446	1	52	0.0	-80.57	388.51	3.23	-77.34
CC[N@H+]1CCOC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029554446	1	52	0.0	-75.56	385.81	3.04	-72.52
O=C(NC1CCCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC1F)C1=CC(=O)[N-]O1	REAL300029554486	0	46	0.0	-78.46	377.40	5.87	-72.59
CC1=C[NH+]=CN1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029554491	1	46	0.0	-75.38	370.94	4.86	-70.52
C[C@@H]1[C@H](C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC[N@@H+]1C	REAL300029554500	0	51	0.0	-82.46	379.07	3.71	-78.75
C[C@@H]1[C@H](C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC[N@H+]1C	REAL300029554500	1	51	0.0	-82.94	384.56	3.80	-79.14
CC[C@@H]1[C@@H](C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC[N@@H+]1C	REAL300029554504	0	54	0.0	-80.93	395.93	4.04	-76.89
CC[C@@H]1[C@@H](C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC[N@H+]1C	REAL300029554504	1	54	0.0	-80.44	402.26	4.40	-76.04
CC1CCC(C)[NH+]1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029554515	0	54	0.0	-69.00	395.16	4.29	-64.71
O=C(CCC[NH+]1CCCC1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029554521	0	54	0.0	-75.88	412.86	4.93	-70.95
C#CC[NH+]1CCC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029554526	0	53	0.0	-65.80	409.03	5.13	-60.67
O=C(CC[NH+]1CCCCC1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029554527	0	54	0.0	-73.03	405.44	4.70	-68.33
CC[N@@H+]1CCCCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029554532	0	54	0.0	-71.77	394.34	4.35	-67.42
CC[N@H+]1CCCCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029554532	1	54	0.0	-66.48	400.14	4.72	-61.76
C[NH+](C)C1(CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CCCC1	REAL300029554565	0	57	0.0	-77.35	406.74	5.06	-72.29
C[N@H+](CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)C1CCC1	REAL300029554686	0	51	0.0	-76.88	389.62	4.52	-72.36
C[N@@H+](CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)C1CCC1	REAL300029554686	1	51	0.0	-68.40	387.13	4.42	-63.98
CC(C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+]1C(C)CCC1C	REAL300029554703	0	57	0.0	-65.56	394.93	3.82	-61.74
O=C(CCCC[NH+]1CCCC1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029554715	0	57	0.0	-75.24	433.70	5.91	-69.33
C[NH+]1CCC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029554726	0	51	0.0	-83.15	384.80	4.01	-79.14
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029554761	0	48	0.0	-70.38	362.03	2.81	-67.57
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029554761	1	48	0.0	-57.93	367.70	3.39	-54.54
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029554782	1	50	0.0	-72.68	388.63	4.35	-68.33
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029554782	1	50	0.0	-74.86	391.28	4.29	-70.57
C[N@@H+]1CCCC1CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029554787	0	54	0.0	-83.58	411.06	4.81	-78.77
C[N@H+]1CCCC1CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029554787	1	54	0.0	-70.37	402.84	4.51	-65.86
O=C(NC1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1F)C1=CC(=O)[N-]O1	REAL300029554794	0	55	0.0	-74.44	388.82	4.06	-70.38
O=C(NC1CCCN(C(=O)C2CCC3CCCC[N@@H+]32)CC1F)C1=CC(=O)[N-]O1	REAL300029554797	0	55	0.0	-58.25	411.68	5.47	-52.78
O=C(NC1CCCN(C(=O)C2CCC3CCCC[N@H+]32)CC1F)C1=CC(=O)[N-]O1	REAL300029554797	1	55	0.0	-68.20	402.52	5.07	-63.13
CCC[N@@H+]1CCCC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029554859	0	57	0.0	-61.25	413.61	5.40	-55.85
CCC[N@H+]1CCCC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029554859	1	57	0.0	-67.36	421.50	5.07	-62.29
CC(C)[N@@H+]1CCOC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029554873	1	55	0.0	-82.53	407.44	3.76	-78.77
CC(C)[N@H+]1CCOC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029554873	1	55	0.0	-69.01	395.60	3.62	-65.39
C[N@@H+]1CCCCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029554894	0	51	0.0	-73.08	380.13	3.73	-69.35
C[N@H+]1CCCCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029554894	1	51	0.0	-58.52	383.35	4.14	-54.38
CC(C)C[N@@H+]1CCCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029554914	0	57	0.0	-70.35	426.33	5.58	-64.77
CC(C)C[N@H+]1CCCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029554914	1	57	0.0	-75.64	421.81	5.27	-70.37
O=C(C[NH+]1CCC(CO)CC1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029554927	1	55	0.0	-81.24	416.81	1.70	-79.54
CC1C(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC[N@@H+]1C	REAL300029554968	0	51	0.0	-77.64	381.60	3.76	-73.88
CC1C(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC[N@H+]1C	REAL300029554968	1	51	0.0	-81.10	383.70	3.88	-77.22
C[N@@H+]1CCCCC1CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029554970	0	57	0.0	-80.99	414.80	4.96	-76.03
C[N@H+]1CCCCC1CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029554970	1	57	0.0	-75.75	415.34	4.99	-70.76
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029555048	0	54	0.0	-67.82	401.05	3.89	-63.93
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029555048	1	54	0.0	-71.62	380.75	3.42	-68.20
C[C@@H](C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+](C)C	REAL300029555066	0	47	0.0	-63.43	358.53	2.95	-60.48
C=CCC(C)(C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+](C)C	REAL300029555080	0	54	0.0	-67.28	375.84	3.67	-63.61
O=C(CC[NH+]1CCCC1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029555100	0	51	0.0	-73.01	389.78	3.99	-69.02
C[N@H+](CCO)CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029555110	1	48	0.0	-74.29	371.00	0.00	-74.29
C[N@@H+](CCO)CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029555110	1	48	0.0	-71.62	368.84	-0.12	-71.74
O=C(NC1CCCN(C(=O)C2C[N@@H+]3CCN2CCC3)CC1F)C1=CC(=O)[N-]O1	REAL300029555143	0	54	0.0	-78.33	389.61	2.14	-76.19
O=C(NC1CCCN(C(=O)C2C[N@H+]3CCN2CCC3)CC1F)C1=CC(=O)[N-]O1	REAL300029555143	1	54	0.0	-83.13	383.71	1.68	-81.45
C[N@H+]1CC=C(CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029555189	0	52	0.0	-71.60	402.07	4.95	-66.65
C[N@@H+]1CC=C(CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029555189	1	52	0.0	-70.55	403.77	4.84	-65.71
C[S+](C)CCC(O)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029555203	0	50	0.0	-79.33	401.23	1.61	-77.72
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029555221	0	52	0.0	-67.73	379.70	-0.69	-68.42
C[N@H+]1CC(O)CC1(C)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029555221	1	52	0.0	-67.15	375.31	-0.85	-68.00
CN1CC[N@H+](C)CC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029555231	0	56	0.0	-76.31	412.72	2.19	-74.12
CN1CC[N@@H+](C)CC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029555231	1	56	0.0	-72.90	411.13	2.32	-70.58
CC(C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[N@@H+]1CCCC(O)C1	REAL300029555232	1	55	0.0	-61.40	408.53	1.27	-60.13
CC(C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[N@H+]1CCCC(O)C1	REAL300029555232	1	55	0.0	-61.07	410.42	1.06	-60.01
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029555260	0	55	0.0	-76.19	411.07	2.74	-73.45
C[N@H+]1CCCC(O)(CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029555260	1	55	0.0	-76.86	401.36	2.58	-74.28
CC1C[NH+](CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029555264	1	48	0.0	-73.30	374.19	3.66	-69.64
CC[N@@H+]1CCCC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029555270	0	54	0.0	-59.34	393.16	4.85	-54.49
CC[N@H+]1CCCC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029555270	1	54	0.0	-71.40	394.76	4.72	-66.68
NC1=[NH+]C=CC=C1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029555276	0	47	0.0	-66.94	375.24	2.29	-64.65
O=C(NC1CCCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1F)C1=CC(=O)[N-]O1	REAL300029555286	0	52	0.0	-78.23	393.81	4.43	-73.80
O=C(NC1CCCN(C(=O)C2CCC[N@H+]2C2CC2)CC1F)C1=CC(=O)[N-]O1	REAL300029555286	1	52	0.0	-77.76	393.27	4.46	-73.30
O=C(C=CC[NH+]1CCCC1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029555321	0	52	0.0	-65.17	404.42	4.77	-60.40
O=C(NC1CCCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1F)C1=CC(=O)[N-]O1	REAL300029555339	0	55	0.0	-75.14	409.51	5.25	-69.89
CC[N@H+](C)CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029555377	0	47	0.0	-70.38	358.70	3.12	-67.26
O=C(CN1CC2C=CC1C2)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029555422	0	50	0.0	-67.24	379.76	4.31	-62.93
O=C(C[N@@H+]1CC2C=CC1C2)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029555422	1	50	0.0	-66.66	380.74	4.11	-62.55
O=C(C[N@H+]1CC2C=CC1C2)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029555422	1	50	0.0	-66.66	380.74	4.11	-62.55
O=C(NC1CCCN(C(=O)C23CCC[N@@H+]2CCCC3)CC1F)C1=CC(=O)[N-]O1	REAL300029555528	0	55	0.0	-69.57	384.49	4.00	-65.57
O=C(NC1CCCN(C(=O)C23CCC[N@H+]2CCCC3)CC1F)C1=CC(=O)[N-]O1	REAL300029555528	1	55	0.0	-69.57	384.49	4.00	-65.57
O=C(NC1CCCN(C(=O)C23CCC[N@@H+]2CC=CC3)CC1F)C1=CC(=O)[N-]O1	REAL300029555534	0	53	0.0	-71.54	381.45	3.80	-67.74
O=C(NC1CCCN(C(=O)C23CCC[N@H+]2CC=CC3)CC1F)C1=CC(=O)[N-]O1	REAL300029555534	1	53	0.0	-71.54	381.45	3.80	-67.74
CC(OCC[NH+](C)C)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029555543	0	54	0.0	-76.23	413.52	3.96	-72.27
C[NH+](C)CCOCCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029555551	0	54	0.0	-78.27	420.22	3.38	-74.89
COCCN(C)CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029555553	0	51	0.0	-71.58	391.09	2.28	-69.30
COCC[N@H+](C)CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029555553	1	51	0.0	-74.61	393.25	2.40	-72.21
COCC[N@@H+](C)CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029555553	1	51	0.0	-74.61	393.25	2.40	-72.21
CC(CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+](C)C	REAL300029555558	0	53	0.0	-84.21	397.05	4.30	-79.91
CC[N@H+](CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)C1CC1	REAL300029555580	0	51	0.0	-78.15	384.76	4.43	-73.72
CC1C[N@@H+]2CCN1C(C(=O)N1CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C1)C2	REAL300029555595	0	54	0.0	-77.57	388.94	1.12	-76.45
C[N@@H+]1CC2CC1(C(=O)N1CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C1)C2	REAL300029555617	0	49	0.0	-70.00	364.14	3.20	-66.80
O=C(C[N@@H+]1CC2CCC1C2)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029555630	0	52	0.0	-70.37	387.25	4.48	-65.89
CC(C[NH+](C)C)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029555649	0	50	0.0	-66.46	379.07	3.34	-63.12
CCN1CCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029555693	0	48	0.0	-77.29	364.53	3.08	-74.21
CC[N@@H+]1CCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029555693	1	48	0.0	-76.32	366.79	3.17	-73.15
CC[N@H+]1CCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029555693	1	48	0.0	-76.32	366.79	3.17	-73.15
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029555703	0	57	0.0	-56.54	411.52	5.27	-51.27
CC(C)[N@H+]1CCCC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029555703	1	57	0.0	-56.54	411.52	5.27	-51.27
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029555715	0	56	0.0	-62.55	396.13	2.45	-60.10
CNC1=NC(C)=CC=C1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029555755	0	50	0.0	-71.06	396.27	3.19	-67.87
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029555755	1	50	0.0	-71.06	396.27	3.19	-67.87
CCCC(C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+](C)C	REAL300029555765	0	53	0.0	-71.86	396.50	4.27	-67.59
C[NH+](C)C(C)(C)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029555772	0	50	0.0	-66.65	352.42	2.73	-63.92
CC(CC[NH+](C)C)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029555790	0	53	0.0	-67.39	400.74	3.97	-63.42
O=C(NC1CCCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC1F)C1=CC(=O)[N-]O1	REAL300029555847	0	53	0.0	-74.07	399.88	4.99	-69.08
O=C(NC1CCCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CC1F)C1=CC(=O)[N-]O1	REAL300029555847	1	53	0.0	-80.89	393.25	5.12	-75.77
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029555876	0	54	0.0	-73.14	407.15	4.27	-68.87
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029555876	1	54	0.0	-67.30	407.77	4.27	-63.03
C[NH+](C)CCCCCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029555879	0	56	0.0	-79.08	430.26	5.50	-73.58
O=C(CC[NH+]1CCC(O)CC1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029555883	0	55	0.0	-82.70	415.52	1.27	-81.43
CCC[N@@H+]1CCCCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029555887	0	57	0.0	-71.96	415.13	4.90	-67.06
CCC[N@H+]1CCCCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029555887	1	57	0.0	-68.53	410.80	4.78	-63.75
C[NH+]1CCN(CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029555896	1	53	0.0	-74.30	402.31	2.08	-72.22
CC1C[N@H+](C)CC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)O1	REAL300029555978	1	52	0.0	-65.31	392.34	3.22	-62.09
CC1C[N@@H+](C)CC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)O1	REAL300029555978	1	52	0.0	-91.49	392.38	3.09	-88.40
CCC1CCC[N@H+](CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029556007	0	57	0.0	-76.11	417.42	5.36	-70.75
CCC1CCC[N@@H+](CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029556007	1	57	0.0	-79.90	424.39	5.67	-74.23
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)N1	REAL300029556015	0	52	0.0	-89.33	406.93	3.97	-85.36
O=C(C[NH+]1CC2CC2C1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029556028	0	49	0.0	-79.73	378.86	4.41	-75.32
O=C(CC1([NH+]2CCCC2)CC1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029556039	0	55	0.0	-75.68	407.34	5.38	-70.30
C[N@@H+]1CCCCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029556072	0	51	0.0	-73.08	380.13	3.73	-69.35
C[N@H+]1CCCCC1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029556072	1	51	0.0	-58.52	383.35	4.14	-54.38
C[N@@H+]1CCC(=CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029556171	0	49	0.0	-68.91	380.38	4.07	-64.84
C[N@H+]1CCC(=CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029556171	1	49	0.0	-72.90	379.57	3.76	-69.14
O=C(CNC1=CC=[NH+]C=C1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029556176	0	47	0.0	-71.81	377.17	1.49	-70.32
CC[NH+]1CCN(CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029556227	0	56	0.0	-72.60	419.16	2.70	-69.90
O=C(C=C1C[NH+]2CCC1CC2)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029556230	0	53	0.0	-65.01	397.41	4.92	-60.09
C[NH+](C)C1(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CCCC1	REAL300029556263	0	54	0.0	-74.59	372.07	3.17	-71.42
C[N@H+](CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[C@@H]1CCC[C@H]1O	REAL300029556271	0	55	0.0	-65.16	411.49	1.84	-63.32
C[N@@H+](CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[C@@H]1CCC[C@H]1O	REAL300029556271	1	55	0.0	-68.33	411.57	1.83	-66.50
CCC1C[NH+](CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029556274	1	51	0.0	-80.90	395.85	4.35	-76.55
O=C(NC1CCCN(C(=O)C2([NH+]3CCCC3)CCC2)CC1F)C1=CC(=O)[N-]O1	REAL300029556277	0	55	0.0	-73.93	390.45	4.25	-69.68
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029556289	0	48	0.0	-75.56	367.58	3.38	-72.18
C[N@H+]1CCC[C@H]1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029556289	1	48	0.0	-77.32	362.41	3.09	-74.23
CC[N@@H+]1CCOCC1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029556311	0	55	0.0	-75.61	407.97	2.87	-72.74
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029556415	0	51	0.0	-65.10	391.80	4.21	-60.89
C[NH+](C)C1CCC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029556426	0	57	0.0	-80.46	417.06	5.13	-75.33
C[NH+](C)CCC1(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029556427	0	54	0.0	-78.59	407.99	4.39	-74.20
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029556428	0	57	0.0	-63.36	410.11	4.86	-58.50
C[N@@H+]1CC=CCC1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029556429	0	52	0.0	-65.33	387.19	4.49	-60.84
C[N@H+]1CC=CCC1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029556429	1	52	0.0	-65.33	387.19	4.49	-60.84
C[NH+](C)CCOCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029556481	0	51	0.0	-72.33	398.24	3.66	-68.67
CCCCC[N@H+](C)CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029556486	0	59	0.0	-80.15	448.04	5.84	-74.31
CCCCC[N@@H+](C)CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029556486	1	59	0.0	-80.15	448.04	5.84	-74.31
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)O1	REAL300029556497	0	55	0.0	-79.46	417.26	4.37	-75.09
[NH2+]=C1SC=CN1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029556520	0	44	0.0	-74.66	370.48	2.73	-71.93
C[C@@H](OCC[NH+](C)C)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029556585	0	54	0.0	-74.34	414.20	4.08	-70.26
O=C(CC[NH+]1CCCCCC1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029556616	0	57	0.0	-80.78	414.91	4.86	-75.92
O=C(C[NH+]1CCCCC1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029556619	0	51	0.0	-72.76	384.65	4.46	-68.30
C[N@@H+]1CCCC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029556621	0	51	0.0	-74.48	388.10	3.97	-70.51
C[N@H+]1CCCC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029556621	1	51	0.0	-67.75	379.46	4.13	-63.62
O=C(C[NH+]1CCC(CO)CC1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029556622	1	55	0.0	-81.24	416.81	1.70	-79.54
O=C(C[NH+]1CCCCCC1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029556623	0	54	0.0	-75.69	396.47	4.65	-71.04
CN1C=C[N+](CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)=C1	REAL300029556628	0	46	0.0	-74.01	373.41	6.09	-67.92
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)O1	REAL300029556643	1	51	0.0	-70.87	401.14	4.37	-66.50
O=C(C[NH+]1CCC(O)CC1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029556658	1	52	0.0	-84.85	396.22	1.05	-83.80
C[N@@H+](CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)C1CC1	REAL300029556662	1	48	0.0	-72.41	374.03	3.86	-68.55
CC(C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)N1CC[NH+](C)CC1	REAL300029556664	1	56	0.0	-78.87	416.04	2.36	-76.51
O=C(CC[N@@H+]1CCC(F)C1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029556666	1	51	0.0	-81.25	398.65	4.29	-76.96
COC1C[N@@H+](C)C(C)(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029556675	1	55	0.0	-67.74	400.50	1.48	-66.26
CC(CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)C[NH+](C)C	REAL300029556691	0	53	0.0	-78.52	400.46	4.34	-74.18
O=C(NC1CCCN(C(=O)C2CC[N@@H+]3CCOCC23)CC1F)C1=CC(=O)[N-]O1	REAL300029556703	0	53	0.0	-79.07	396.57	2.49	-76.58
O=C(NC1CCCN(C(=O)C2CC[N@H+]3CCOCC23)CC1F)C1=CC(=O)[N-]O1	REAL300029556703	1	53	0.0	-69.57	393.97	2.69	-66.88
CN1CCOCC1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029556720	0	52	0.0	-85.86	393.06	2.44	-83.42
C[N@@H+]1CCOCC1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029556720	1	52	0.0	-70.16	385.32	2.27	-67.89
C[N@H+]1CCOCC1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029556720	1	52	0.0	-85.86	393.06	2.44	-83.42
CC[NH+]1CCN(CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029556728	0	56	0.0	-72.60	419.16	2.70	-69.90
CC1=CC(N)=[NH+]C=C1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029556778	1	47	0.0	-79.84	374.48	1.79	-78.05
NC1=CC=C(CCC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C=[NH+]1	REAL300029556781	0	50	0.0	-73.80	403.65	3.01	-70.79
CC1(O)CC[N@@H+](CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029556817	1	52	0.0	-69.89	397.42	0.63	-69.26
C[NH+]1CC(CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029556849	0	48	0.0	-78.62	372.16	3.04	-75.58
O=C(NC1CCCN(C(=O)C2CC[N@@H+]2C2CCCC2)CC1F)C1=CC(=O)[N-]O1	REAL300029556853	0	55	0.0	-71.28	408.92	5.05	-66.23
O=C(NC1CCCN(C(=O)C2CC[N@H+]2C2CCCC2)CC1F)C1=CC(=O)[N-]O1	REAL300029556853	1	55	0.0	-76.85	409.94	4.94	-71.91
C[NH+](C)CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029556861	0	44	0.0	-79.73	343.39	2.54	-77.19
C[N@H+](CCO)CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029556887	0	51	0.0	-74.96	392.85	0.61	-74.35
C[N@@H+](CCO)CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029556887	1	51	0.0	-72.87	391.83	0.26	-72.61
C[C@@H](C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+](C)C	REAL300029556888	0	47	0.0	-63.43	358.53	2.95	-60.48
C[N@@H+]1CCCCC1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029556905	0	54	0.0	-75.42	400.13	4.64	-70.78
C[N@H+]1CCCCC1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029556905	1	54	0.0	-71.58	393.95	4.65	-66.93
CC(C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+]1CC(C)C1	REAL300029556922	1	51	0.0	-69.95	386.81	3.89	-66.06
CC1CC[N@@H+]1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029556926	1	48	0.0	-77.10	373.53	3.64	-73.46
CC1CC[N@H+]1CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029556926	1	48	0.0	-72.33	374.24	3.66	-68.67
C[NH+](C)CC=CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029556937	0	48	0.0	-69.56	376.56	3.44	-66.12
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)N1	REAL300029556963	1	52	0.0	-68.84	414.13	3.96	-64.88
C[NH+](C)CCSCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029556980	0	51	0.0	-79.99	409.29	4.57	-75.42
O=C(C[N@H+]1CCCC1CO)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029557003	0	52	0.0	-76.12	390.55	0.25	-75.87
O=C(C[N@@H+]1CCCC1CO)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029557003	1	52	0.0	-69.87	391.01	0.32	-69.55
CC[NH+](CC)CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029557007	0	50	0.0	-69.25	377.34	3.80	-65.45
CC[NH+](CC)CCC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029557058	0	53	0.0	-80.37	397.01	4.23	-76.14
C[NH+](C)CC1=CNC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)=C1	REAL300029557115	0	52	0.0	-82.01	406.38	4.14	-77.87
CC(C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+]1CCC(O)CC1	REAL300029557132	1	55	0.0	-80.62	409.51	1.30	-79.32
O=C(NC1CCCN(C(=O)C2CC3COCC[N@@H+]3C2)CC1F)C1=CC(=O)[N-]O1	REAL300029557136	0	53	0.0	-81.71	394.91	2.60	-79.11
O=C(NC1CCCN(C(=O)C2CC3COCC[N@H+]3C2)CC1F)C1=CC(=O)[N-]O1	REAL300029557136	1	53	0.0	-72.50	400.08	2.48	-70.02
CC(C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+]1CCC1	REAL300029557147	1	48	0.0	-76.69	370.29	3.42	-73.27
CCC(CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)C[NH+](C)C	REAL300029557152	0	56	0.0	-80.88	414.06	5.04	-75.84
NC1=CC=C(C=CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C=[NH+]1	REAL300029557159	0	48	0.0	-67.70	389.56	2.77	-64.93
C[NH+](C)CC(C)(C)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029557160	0	53	0.0	-85.11	381.82	3.70	-81.41
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029557212	0	51	0.0	-76.25	374.22	3.50	-72.75
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029557212	1	51	0.0	-74.19	382.62	4.10	-70.09
CC1CN2CC[N@@H+]1CC2C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029557226	0	54	0.0	-76.40	390.18	0.97	-75.43
CC1CN2CC[N@H+]1CC2C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029557226	1	54	0.0	-81.99	383.83	0.48	-81.51
C[NH+](C)CC(O)CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029557246	0	51	0.0	-82.31	396.14	1.30	-81.01
C[NH+]1C2CCC1CC(C(=O)N1CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C1)C2	REAL300029557248	0	55	0.0	-71.20	387.31	3.95	-67.25
C=CCC(C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+](C)C	REAL300029557278	0	51	0.0	-71.94	388.34	3.99	-67.95
O=C(NC1CCCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC1F)C1=CC(=O)[N-]O1	REAL300029557285	0	55	0.0	-67.35	409.86	4.91	-62.44
O=C(NC1CCCN(C(=O)C2CC3CCCC[N@H+]3C2)CC1F)C1=CC(=O)[N-]O1	REAL300029557285	1	55	0.0	-74.15	409.74	5.21	-68.94
C[NH+]1CCC(C)(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029557296	0	54	0.0	-75.96	387.52	3.90	-72.06
C[NH+]1CCC(O)(CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029557298	0	55	0.0	-74.03	413.30	2.89	-71.14
C[NH+](C)CCSCC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029557375	0	51	0.0	-75.53	405.21	4.05	-71.48
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CC2COCC[N@@H+]2C1	REAL300029557381	0	53	0.0	-74.39	396.13	2.49	-71.90
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CC2COCC[N@H+]2C1	REAL300029557381	1	53	0.0	-69.33	397.81	2.79	-66.54
C[N@@H+]1CCCC1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029557542	0	49	0.0	-69.47	371.50	3.14	-66.33
C[N@H+]1CCCC1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029557542	1	49	0.0	-69.83	372.11	3.25	-66.58
CC(C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+]1CCCCCC1	REAL300029557731	0	58	0.0	-65.34	418.86	5.12	-60.22
CC(C)[N@@H+]1CCCC1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029557750	0	55	0.0	-65.89	408.81	4.76	-61.13
CC(C)[N@H+]1CCCC1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029557750	1	55	0.0	-66.22	402.15	4.89	-61.33
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC2CCCC[N@@H+]2C1	REAL300029557764	0	56	0.0	-67.58	418.06	5.46	-62.12
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC2CCCC[N@H+]2C1	REAL300029557764	1	56	0.0	-67.09	417.59	5.51	-61.58
CC(C)C1=[NH+]C=CN1CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029557784	1	53	0.0	-66.26	415.60	5.42	-60.84
CC1=[NH+]C=CN1CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029557814	1	47	0.0	-67.81	379.29	4.29	-63.52
CC(C[NH+]1CCOCC1)C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029557816	1	56	0.0	-72.70	421.15	3.41	-69.29
O=C(CCC[NH+]1CCCCC1)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029557830	0	58	0.0	-70.96	435.34	5.92	-65.04
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1C[NH+]2CCC1CC2	REAL300029557856	0	53	0.0	-71.23	391.48	4.59	-66.64
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCCC2CCC[N@@H+]21	REAL300029557897	0	56	0.0	-64.11	414.40	5.49	-58.62
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCCC2CCC[N@H+]21	REAL300029557897	1	56	0.0	-66.34	410.35	5.02	-61.32
C[C@@H]1[C@H](C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@@H+]1C	REAL300029557911	0	52	0.0	-72.23	387.38	3.86	-68.37
C[C@@H]1[C@H](C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@H+]1C	REAL300029557911	1	52	0.0	-68.84	392.33	4.29	-64.55
CC[C@@H]1[C@@H](C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@@H+]1C	REAL300029557915	0	55	0.0	-70.63	406.89	4.35	-66.28
CC[C@@H]1[C@@H](C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@H+]1C	REAL300029557915	1	55	0.0	-67.62	411.36	5.00	-62.62
CC[N@@H+]1CCOC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029557927	1	53	0.0	-68.91	398.37	3.56	-65.35
CC[N@H+]1CCOC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029557927	1	53	0.0	-78.16	405.01	3.60	-74.56
CC[NH+](CC)CC(F)C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029557963	0	54	0.0	-70.41	407.78	4.33	-66.08
CC1CCC(C)[NH+]1CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029558024	0	55	0.0	-66.87	406.94	4.55	-62.32
O=C(CCC[NH+]1CCCC1)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029558030	0	55	0.0	-70.81	419.67	5.22	-65.59
C[NH+](C)CC1=CC=CC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=C1	REAL300029558031	0	55	0.0	-72.22	428.44	6.27	-65.95
C#CC[NH+]1CCC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029558035	0	54	0.0	-71.91	419.33	5.50	-66.41
O=C(CC[NH+]1CCCCC1)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029558036	0	55	0.0	-71.30	413.84	5.11	-66.19
CC(C)C[N@@H+]1CCC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029558058	0	58	0.0	-69.49	434.87	5.77	-63.72
CC(C)C[N@H+]1CCC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029558058	1	58	0.0	-70.42	434.14	5.65	-64.77
CC(C)[N@@H+]1CCCC1CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029558063	0	58	0.0	-62.68	420.12	5.33	-57.35
CC(C)[N@H+]1CCCC1CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029558063	1	58	0.0	-67.56	429.08	5.42	-62.14
C[N@H+](CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCC1	REAL300029558115	0	52	0.0	-69.23	395.95	4.66	-64.57
C[N@@H+](CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCC1	REAL300029558115	1	52	0.0	-69.14	396.08	4.68	-64.46
CC(C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+]1C(C)CCC1C	REAL300029558164	0	58	0.0	-64.46	418.70	4.79	-59.67
CN(CCC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC=[NH+]C=C1	REAL300029558213	0	54	0.0	-66.75	424.32	4.34	-62.41
C[N@@H+]1CCCC1CCC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029558226	0	55	0.0	-70.27	417.70	5.29	-64.98
C[N@H+]1CCCC1CCC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029558226	1	55	0.0	-70.08	414.08	5.13	-64.95
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCC2CCCC[N@@H+]21	REAL300029558240	0	56	0.0	-64.06	418.12	5.76	-58.30
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCC2CCCC[N@H+]21	REAL300029558240	1	56	0.0	-65.03	411.02	5.28	-59.75
O=C(CCCC[NH+]1CCCC1)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029558258	0	58	0.0	-70.94	441.17	6.00	-64.94
C[N@H+](CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)CC1=CC=CC=C1	REAL300029558260	1	55	0.0	-72.58	426.23	6.25	-66.33
C[N@@H+](CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)CC1=CC=CC=C1	REAL300029558260	1	55	0.0	-75.16	426.56	6.27	-68.89
C[NH+]1CCC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029558271	0	52	0.0	-70.68	394.16	4.32	-66.36
C[NH+](C)CC1=CC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=NO1	REAL300029558300	1	51	0.0	-77.95	407.92	3.65	-74.30
CC1=C(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C=CC2=C[NH+]=CN21	REAL300029558301	0	50	0.0	-69.00	394.38	6.66	-62.34
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CN2C=[NH+]C=C2C=C1	REAL300029558433	0	47	0.0	-71.04	379.99	6.19	-64.85
CC1=[NH+]C=CN1CCCC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029558442	1	53	0.0	-68.26	420.81	5.59	-62.67
C[NH+](C)CC1=CC=C(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C=C1	REAL300029558447	0	55	0.0	-76.54	427.98	6.17	-70.37
O=C(CC[NH+]1CCOCC1)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029558448	1	53	0.0	-74.57	405.11	2.69	-71.88
CC1=C[NH+]=CN1CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029558473	1	47	0.0	-69.62	379.62	5.02	-64.60
O=C(CN1C=[NH+]C2=C1CCCC2)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029558479	1	54	0.0	-67.24	421.17	6.74	-60.50
C[NH+](C)C1CCCC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029558532	0	58	0.0	-66.05	422.81	5.33	-60.72
C[N@@H+]1CCC(CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029558535	0	52	0.0	-71.15	397.09	4.35	-66.80
C[N@H+]1CCC(CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029558535	1	52	0.0	-71.89	396.62	4.25	-67.64
CCC(C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300029558550	0	51	0.0	-69.29	380.56	3.63	-65.66
C[NH+](C)C1(CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CCCC1	REAL300029558563	0	58	0.0	-72.30	413.68	5.10	-67.20
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC2=C[NH+]=CN2C=C1	REAL300029558596	1	47	0.0	-73.91	380.26	6.20	-67.71
C[NH+](C)CCCCC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029558644	0	54	0.0	-72.28	415.21	4.82	-67.46
CCC[N@H+](C)CCC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029558662	0	54	0.0	-70.69	412.33	4.65	-66.04
CCC[N@@H+](C)CCC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029558662	1	54	0.0	-72.21	412.15	4.62	-67.59
CCC[N@H+](C)CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029558666	0	51	0.0	-68.75	388.80	4.07	-64.68
CCC[N@@H+](C)CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029558666	1	51	0.0	-71.17	389.08	4.09	-67.08
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C12CC[N@H+](C1)CCC2	REAL300029558684	0	53	0.0	-73.69	391.13	4.12	-69.57
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C12CC[N@@H+](C1)CCC2	REAL300029558684	1	53	0.0	-70.67	391.42	3.88	-66.79
C[N@@H+]1CCC[C@@H]1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029558719	0	49	0.0	-67.32	370.59	3.18	-64.14
C[N@H+]1CCC[C@@H]1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029558719	1	49	0.0	-66.52	376.74	3.78	-62.74
CCCCCC[N@H+](C)CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029558769	0	60	0.0	-69.99	453.29	6.41	-63.58
CCCCCC[N@@H+](C)CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029558769	1	60	0.0	-72.38	453.58	6.43	-65.95
CC[NH+](CC)CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029558781	0	51	0.0	-68.11	386.83	4.07	-64.04
CCC[N@@H+]1CCCC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029558807	0	58	0.0	-65.08	427.80	6.01	-59.07
CCC[N@H+]1CCCC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029558807	1	58	0.0	-65.93	427.33	5.88	-60.05
CC(C)[N@@H+]1CCOC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029558820	1	56	0.0	-78.56	418.31	3.60	-74.96
CC(C)[N@H+]1CCOC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029558820	1	56	0.0	-73.36	422.68	4.19	-69.17
CC1CC[NH+](CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029558850	0	55	0.0	-70.18	413.65	5.24	-64.94
C[NH+]1CCC(OCC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029558872	0	56	0.0	-75.69	429.79	4.60	-71.09
C[NH+](C)CC1(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029558885	0	52	0.0	-66.13	402.44	4.61	-61.52
CC1=[NH+]C=C2CCC(C(=O)NC3(C4CCN(C(=O)C5=CC(=O)[N-]O5)C4)CC3)CN21	REAL300029558886	1	54	0.0	-63.75	417.93	5.53	-58.22
CC(C)[NH+]1CCC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029558950	0	58	0.0	-68.09	424.82	5.26	-62.83
C[NH+]1CCC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029558967	0	52	0.0	-70.68	394.16	4.32	-66.36
CCC(C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](CC)CC	REAL300029558997	0	57	0.0	-64.35	412.71	4.73	-59.62
CC[N@H+](C)CCC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559054	0	51	0.0	-70.71	391.19	3.96	-66.75
CC[N@@H+](C)CCC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559054	1	51	0.0	-71.50	390.65	3.88	-67.62
CC1CCC[N@@H+]1CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559099	0	52	0.0	-66.68	389.00	4.17	-62.51
CC1CCC[N@H+]1CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559099	1	52	0.0	-67.11	395.66	4.59	-62.52
CC1CC[N@H+](CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029559101	0	52	0.0	-67.89	394.97	4.33	-63.56
CC1CC[N@@H+](CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029559101	1	52	0.0	-69.24	395.62	4.55	-64.69
CC1=[NH+]C=C2CC(C(=O)NC3(C4CCN(C(=O)C5=CC(=O)[N-]O5)C4)CC3)CCN21	REAL300029559102	1	54	0.0	-66.27	419.55	5.54	-60.73
CC1(C)CC[N@H+](CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029559105	0	55	0.0	-69.13	415.39	5.04	-64.09
CC1(C)CC[N@@H+](CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029559105	1	55	0.0	-69.28	415.59	5.02	-64.26
C[N@H+](CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)CC(C)(C)C	REAL300029559106	0	57	0.0	-68.63	416.93	5.06	-63.57
C[N@@H+](CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)CC(C)(C)C	REAL300029559106	1	57	0.0	-70.60	419.64	5.22	-65.38
CC[C@@H](C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300029559113	0	51	0.0	-67.33	383.58	4.35	-62.98
C[NH+]1CCC(O)(CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029559268	0	56	0.0	-71.80	421.02	2.92	-68.88
C[NH+](C)CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559278	0	45	0.0	-71.52	349.84	2.68	-68.84
O=C(C[NH+]1CCC(CO)CC1)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559281	0	56	0.0	-72.23	425.12	1.80	-70.43
O=C(C[NH+]1CCCCCC1)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559283	0	55	0.0	-70.78	400.81	4.72	-66.06
CN1C=C[N+](CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=C1	REAL300029559287	0	47	0.0	-68.89	381.08	6.19	-62.70
C[N@@H+]1CCCC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029559293	0	52	0.0	-66.09	388.88	4.48	-61.61
C[N@H+]1CCCC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029559293	1	52	0.0	-70.10	394.89	4.41	-65.69
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCC[N@@H+]1C1CC1	REAL300029559297	0	53	0.0	-68.01	402.87	4.76	-63.25
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCC[N@H+]1C1CC1	REAL300029559297	1	53	0.0	-70.32	392.44	3.90	-66.42
CC(C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+]1CCC1	REAL300029559321	1	49	0.0	-66.94	378.06	3.82	-63.12
CCC(CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C[NH+](C)C	REAL300029559327	0	57	0.0	-72.49	421.35	5.15	-67.34
O=C(C[NH+]1CCC(O)CC1)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559356	1	53	0.0	-75.16	402.67	1.20	-73.96
C[N@H+](CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC1	REAL300029559357	0	49	0.0	-68.38	379.11	4.09	-64.29
C[N@@H+](CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC1	REAL300029559357	1	49	0.0	-67.88	380.49	4.17	-63.71
CC(C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)N1CC[NH+](C)CC1	REAL300029559358	1	57	0.0	-69.46	420.79	2.49	-66.97
C[NH+]1CC(CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029559374	0	49	0.0	-70.99	381.28	3.51	-67.48
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC[N@@H+]1C1CCCC1	REAL300029559378	0	56	0.0	-68.08	423.26	5.67	-62.41
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC[N@H+]1C1CCCC1	REAL300029559378	1	56	0.0	-69.12	414.79	5.12	-64.00
CC(C)(C)[N@@H+]1CCC1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559385	0	55	0.0	-65.89	395.57	4.04	-61.85
CC(C)(C)[N@H+]1CCC1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559385	1	55	0.0	-69.42	407.45	3.90	-65.52
C[C@@H](C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300029559396	0	48	0.0	-68.69	367.95	3.08	-65.61
CCC1CCC[N@H+](CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029559431	0	58	0.0	-69.89	424.25	5.87	-64.02
CCC1CCC[N@@H+](CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029559431	1	58	0.0	-71.15	430.87	5.79	-65.36
C[NH+](C)CC1=CC=C(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)N1	REAL300029559438	0	53	0.0	-72.80	416.38	3.85	-68.95
[NH2+]=C1SC=CN1CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559475	0	45	0.0	-67.36	376.93	2.86	-64.50
C[N@H+](CCO)CCC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559483	0	52	0.0	-69.66	401.18	0.70	-68.96
C[N@@H+](CCO)CCC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559483	1	52	0.0	-70.84	400.89	0.67	-70.17
C[C@@H](C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300029559484	0	48	0.0	-68.69	367.95	3.08	-65.61
C[N@@H+]1CCCC[C@@H]1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559488	0	52	0.0	-67.84	382.97	4.21	-63.63
C[N@H+]1CCCC[C@@H]1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559488	1	52	0.0	-66.87	391.80	4.27	-62.60
CC1CN2CC[N@@H+]1CC2C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559495	0	55	0.0	-74.72	402.61	1.65	-73.07
CC1CN2CC[N@H+]1CC2C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559495	1	55	0.0	-70.97	401.60	1.66	-69.31
O=C(CC1=CC2=C[NH+]=CN2C=C1)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559538	0	50	0.0	-69.90	405.98	6.90	-63.00
C[N@H+](CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCSC1	REAL300029559560	0	53	0.0	-76.75	409.20	4.93	-71.82
C[N@@H+](CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCSC1	REAL300029559560	1	53	0.0	-76.62	409.19	4.90	-71.72
O=C(C[NH+]1CCC1)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559561	1	46	0.0	-70.91	360.14	3.17	-67.74
C[NH+](C)CC1=CC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=CC=N1	REAL300029559586	1	54	0.0	-71.35	423.97	4.71	-66.64
C[N@@H+]1CCC(=CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029559587	0	50	0.0	-72.78	388.17	4.36	-68.42
C[N@H+]1CCC(=CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029559587	1	50	0.0	-72.81	388.19	4.38	-68.43
C[NH+](C)CCOCC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559615	0	52	0.0	-70.84	405.71	3.58	-67.26
CCCCC[N@H+](C)CCC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559621	0	60	0.0	-73.10	455.15	6.18	-66.92
CCCCC[N@@H+](C)CCC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559621	1	60	0.0	-71.49	455.32	6.22	-65.27
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)O1	REAL300029559629	0	56	0.0	-71.26	428.80	4.45	-66.81
C=CCC(C)(C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300029559636	0	55	0.0	-73.70	404.56	4.91	-68.79
C[S+](C)CCC(O)C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559641	0	51	0.0	-71.14	414.68	2.16	-68.98
CN1CC[N@H+](C)CC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029559674	0	57	0.0	-68.64	420.35	2.95	-65.69
CN1CC[N@@H+](C)CC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029559674	1	57	0.0	-68.64	420.35	2.95	-65.69
CC(C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[N@@H+]1CCCC(O)C1	REAL300029559675	0	56	0.0	-67.45	421.02	1.70	-65.75
C[N@@H+]1CCCC(O)(CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029559694	0	56	0.0	-66.89	420.62	2.98	-63.91
C[N@H+]1CCCC(O)(CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029559694	1	56	0.0	-66.89	420.62	2.98	-63.91
CC1CN(CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029559697	0	49	0.0	-71.13	379.92	3.85	-67.28
CC1C[NH+](CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029559697	1	49	0.0	-71.13	379.92	3.85	-67.28
CN(CCO)CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559722	0	49	0.0	-71.27	377.94	0.11	-71.16
C[N@H+](CCO)CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559722	1	49	0.0	-68.54	377.69	0.11	-68.43
C[N@@H+](CCO)CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559722	1	49	0.0	-68.54	377.69	0.11	-68.43
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1C[N@@H+]2CCN1CCC2	REAL300029559742	0	55	0.0	-71.87	398.40	2.09	-69.78
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1C[N@H+]2CCN1CCC2	REAL300029559742	1	55	0.0	-71.87	398.40	2.09	-69.78
CC[N@@H+]1CCCC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029559746	0	55	0.0	-68.22	412.55	5.06	-63.16
CC[N@H+]1CCCC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029559746	1	55	0.0	-68.22	412.55	5.06	-63.16
CC(CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C[NH+](C)C	REAL300029559748	0	54	0.0	-70.73	408.30	4.74	-65.99
CC[N@H+](C)CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559760	0	48	0.0	-70.79	367.59	3.35	-67.44
CC[N@H+](CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC1	REAL300029559807	0	52	0.0	-68.21	395.89	4.70	-63.51
CC[NH+](CC)CCC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559822	0	54	0.0	-71.23	403.44	4.32	-66.91
CC1(C)CN(CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029559845	0	52	0.0	-69.62	400.91	4.42	-65.20
CC1(C)C[NH+](CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029559845	1	52	0.0	-69.62	400.91	4.42	-65.20
CC1(O)CC[N@H+](CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029559868	0	53	0.0	-68.38	405.58	1.08	-67.30
CC1(O)CC[N@@H+](CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029559868	1	53	0.0	-69.39	406.17	1.19	-68.20
C[NH+](C)CC=CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559874	0	49	0.0	-73.56	385.79	3.89	-69.67
CC(OCC[NH+](C)C)C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559891	0	55	0.0	-69.64	425.50	4.26	-65.38
C[NH+](C)CCOCCC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559900	0	55	0.0	-69.79	426.66	3.48	-66.31
COCC[N@H+](C)CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559901	1	52	0.0	-68.32	399.94	2.51	-65.81
COCC[N@@H+](C)CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559901	1	52	0.0	-71.38	400.19	2.51	-68.87
CC(CCC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300029559934	0	54	0.0	-70.24	407.13	4.40	-65.84
CC[N@@H+]1CCC1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559943	1	49	0.0	-67.68	382.14	3.65	-64.03
CC[N@H+]1CCC1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559943	1	49	0.0	-68.81	372.17	3.44	-65.37
CC(C)[N@@H+]1CCCC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029559952	0	58	0.0	-64.02	422.95	5.78	-58.24
CC(C)[N@H+]1CCCC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029559952	1	58	0.0	-64.85	422.49	5.66	-59.19
O=C(C[N@H+]1CCCC1CO)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559964	0	53	0.0	-68.42	404.43	1.27	-67.15
O=C(C[N@@H+]1CCCC1CO)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559964	1	53	0.0	-67.23	402.81	1.28	-65.95
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC2CCCC[N@@H+]2C1	REAL300029559983	0	56	0.0	-67.58	418.06	5.46	-62.12
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC2CCCC[N@H+]2C1	REAL300029559983	1	56	0.0	-67.09	417.59	5.51	-61.58
C[NH+](C)CC1=CNC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=C1	REAL300029559990	0	53	0.0	-71.48	415.93	4.00	-67.48
CC(C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+]1CCC(O)CC1	REAL300029560002	0	56	0.0	-70.59	413.21	1.51	-69.08
C=CCC(C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300029560010	0	52	0.0	-69.88	396.46	4.35	-65.53
C[N@@H+]1CC(C)(C)CC1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560017	0	55	0.0	-69.14	410.29	4.47	-64.67
C[N@H+]1CC(C)(C)CC1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560017	1	55	0.0	-66.41	415.90	5.01	-61.40
C[NH+](C)CCCCCC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560021	0	57	0.0	-71.73	436.70	5.60	-66.13
O=C(C[NH+]1CC2CC2C1)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560029	0	50	0.0	-70.96	385.18	4.56	-66.40
CC1C[N@@H+]2CCN1C(C(=O)NC1(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC1)C2	REAL300029560055	0	55	0.0	-71.95	403.16	1.82	-70.13
CC1C[N@H+]2CCN1C(C(=O)NC1(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC1)C2	REAL300029560055	1	55	0.0	-72.39	403.16	1.83	-70.56
CCCC(C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300029560056	0	54	0.0	-70.60	403.95	4.59	-66.01
C[N@@H+]1CCCCC1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560094	0	52	0.0	-67.21	392.28	4.39	-62.82
C[N@H+]1CCCCC1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560094	1	52	0.0	-67.78	383.74	4.19	-63.59
C[N@H+]1CC=C(CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029560130	0	53	0.0	-69.26	409.65	5.00	-64.26
C[N@@H+]1CC=C(CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029560130	1	53	0.0	-68.01	409.66	4.99	-63.02
O=C(CC1([NH+]2CCCC2)CC1)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560137	0	56	0.0	-66.18	415.41	5.52	-60.66
C[NH+](C)CC1=CC=C(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)O1	REAL300029560180	1	52	0.0	-73.13	414.85	4.61	-68.52
C[NH+](C)CC1=CC=C(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C=N1	REAL300029560184	0	54	0.0	-73.48	424.24	4.42	-69.06
O=C(C=CC[NH+]1CCCC1)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560195	0	53	0.0	-72.59	412.13	5.10	-67.49
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC[NH+](C2CC2)CC1	REAL300029560216	0	56	0.0	-71.51	419.28	5.55	-65.96
O=C(CC[NH+]1CCCC1)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560232	0	52	0.0	-70.56	397.82	4.38	-66.18
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1C[NH+]2CCN1CC2	REAL300029560264	0	52	0.0	-74.20	387.37	1.21	-72.99
O=C(C[N@@H+]1CC2CCC1C2)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560284	0	53	0.0	-68.08	394.39	4.60	-63.48
O=C(C[N@H+]1CC2CCC1C2)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560284	1	53	0.0	-71.18	390.75	4.05	-67.13
O=C(C=C1C[NH+]2CCC1CC2)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560321	0	54	0.0	-67.97	407.43	5.16	-62.81
O=C(C[N@@H+]1CC2C=CC1C2)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560329	1	51	0.0	-67.71	390.03	4.78	-62.93
O=C(C[N@H+]1CC2C=CC1C2)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560329	1	51	0.0	-66.62	388.70	4.62	-62.00
CC[NH+]1CCN(CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029560353	0	57	0.0	-68.45	427.07	2.96	-65.49
CC(C[NH+](C)C)C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560368	0	51	0.0	-71.56	388.26	3.97	-67.59
C[N@@H+]1CCCCC1CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560436	0	55	0.0	-71.94	409.03	4.85	-67.09
C[N@H+]1CCCCC1CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560436	1	55	0.0	-70.63	409.59	4.97	-65.66
CC1=C2C=C(C(=O)NC3(C4CCN(C(=O)C5=CC(=O)[N-]O5)C4)CC3)C=CN2C=[NH+]1	REAL300029560449	1	50	0.0	-71.80	402.18	6.76	-65.04
CC(C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+]1CC(C)C1	REAL300029560450	1	52	0.0	-66.72	397.83	4.50	-62.22
CC1CC[N@@H+]1CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560453	1	49	0.0	-66.84	376.52	3.52	-63.32
CC1CC[N@H+]1CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560453	1	49	0.0	-68.36	381.62	3.88	-64.48
C[NH+](C)CC(O)CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560457	0	52	0.0	-73.62	403.61	1.66	-71.96
CC1C[N@H+](C)CC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)O1	REAL300029560480	1	53	0.0	-75.02	402.14	3.78	-71.24
CC1C[N@@H+](C)CC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)O1	REAL300029560480	1	53	0.0	-76.55	401.69	3.66	-72.89
O=C(CC[NH+]1CCC(O)CC1)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560489	0	56	0.0	-75.06	424.48	1.74	-73.32
CCC[N@@H+]1CCCCC1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560491	0	58	0.0	-69.81	417.70	5.00	-64.81
CCC[N@H+]1CCCCC1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560491	1	58	0.0	-66.25	431.59	5.77	-60.48
C[NH+](C)[C@H]1C[C@H](C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300029560562	0	52	0.0	-69.09	399.87	4.53	-64.56
CC(CC[NH+](C)C)C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560570	0	54	0.0	-71.68	409.88	4.56	-67.12
C[N@H+](CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[C@@H]1CCC[C@H]1O	REAL300029560587	0	56	0.0	-66.37	420.78	2.19	-64.18
C[N@@H+](CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[C@@H]1CCC[C@H]1O	REAL300029560587	1	56	0.0	-69.30	420.60	2.06	-67.24
C#CC[N@H+]1CCCCC1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560594	1	54	0.0	-66.98	408.46	5.38	-61.60
C#CC[N@@H+]1CCCCC1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560594	1	54	0.0	-65.57	417.60	5.55	-60.02
C[NH+]1CCN(CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029560597	1	54	0.0	-70.30	409.33	2.28	-68.02
CC[NH+]1CCN(CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029560606	0	57	0.0	-68.45	427.07	2.96	-65.49
NC(=[NH2+])SCC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560628	0	43	0.0	-71.83	358.37	-0.45	-72.28
CCN1CCOCC1CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560661	0	56	0.0	-71.31	413.65	2.98	-68.33
CC[N@@H+]1CCOCC1CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560661	1	56	0.0	-71.50	418.64	3.14	-68.36
CC[N@H+]1CCOCC1CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560661	1	56	0.0	-71.50	418.64	3.14	-68.36
C[NH+](C)C1CCC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029560675	0	58	0.0	-65.49	421.85	5.33	-60.16
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029560677	0	58	0.0	-65.73	422.14	5.37	-60.36
C[N@@H+]1CC=CCC1CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560678	0	53	0.0	-73.27	401.08	4.72	-68.55
C[N@H+]1CC=CCC1CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560678	1	53	0.0	-73.27	401.08	4.72	-68.55
C[C@@H](OCC[NH+](C)C)C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560699	0	55	0.0	-69.80	425.52	4.25	-65.55
C[NH+]1C2CCC1CC(C(=O)NC1(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC1)C2	REAL300029560721	0	56	0.0	-66.67	391.02	5.17	-61.50
CC(C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+]1CCSCC1	REAL300029560810	1	53	0.0	-71.76	409.01	4.68	-67.08
C[N@H+]1CCC[C@H]1C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560819	1	49	0.0	-67.10	370.53	3.20	-63.90
O=C(CC[N@@H+]1CCC(F)C1)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560826	1	52	0.0	-74.90	405.13	4.52	-70.38
O=C(CC[NH+]1CCCCCC1)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560842	0	58	0.0	-72.85	423.86	5.31	-67.54
O=C(C[NH+]1CCCCC1)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560844	0	52	0.0	-70.53	391.56	4.55	-65.98
CC1C(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@@H+]1C	REAL300029560852	0	52	0.0	-67.07	396.35	4.23	-62.84
CC1C(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@H+]1C	REAL300029560852	1	52	0.0	-68.90	396.16	4.37	-64.53
C[N@@H+]1CCCCC1CCC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560854	0	58	0.0	-68.90	431.54	5.67	-63.23
C[N@H+]1CCCCC1CCC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560854	1	58	0.0	-71.20	425.03	5.49	-65.71
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC[N@@H+]2CCOCC12	REAL300029560878	0	54	0.0	-68.59	405.42	3.11	-65.48
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC[N@H+]2CCOCC12	REAL300029560878	1	54	0.0	-72.85	408.87	2.95	-69.90
CC1=[NH+]C=C2C=CC(C(=O)NC3(C4CCN(C(=O)C5=CC(=O)[N-]O5)C4)CC3)=CN21	REAL300029560883	0	50	0.0	-67.11	401.41	5.96	-61.15
C[N@@H+]1CCOCC1CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560900	1	53	0.0	-75.91	400.53	2.48	-73.43
C[N@H+]1CCOCC1CC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560900	1	53	0.0	-74.28	400.93	2.60	-71.68
CC1=C(C)[NH+]=C(CCC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)N1	REAL300029560908	1	53	0.0	-65.84	420.08	3.97	-61.87
C[N@@H+]1CCCC1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029561076	0	49	0.0	-68.16	374.66	3.66	-64.50
C[N@H+]1CCCC1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029561076	1	49	0.0	-68.64	374.76	3.67	-64.97
C[N@@H+]1CCOC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029561102	1	50	0.0	-87.11	385.67	3.11	-84.00
C[N@H+]1CCOC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029561102	1	50	0.0	-81.24	386.22	3.17	-78.07
CC1=[NH+]C=CN1CCCC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029561264	1	53	0.0	-70.33	423.70	5.75	-64.58
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C=C1	REAL300029561269	0	55	0.0	-80.56	429.12	6.05	-74.51
O=C(CC[NH+]1CCOCC1)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029561270	1	53	0.0	-76.42	409.23	2.93	-73.49
O=C(NC1(C2CCN(C(=O)C34CCC[NH+]3CCC4)C2)CC1)C1=CC(=O)[N-]O1	REAL300029561295	0	53	0.0	-66.34	389.19	4.31	-62.03
O=C(NC1(C2CCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029561305	1	47	0.0	-76.01	387.79	6.34	-69.67
C[NH+](C)C1CCCC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029561365	0	58	0.0	-72.95	428.07	5.51	-67.44
C[N@@H+]1CCC(CC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029561368	0	52	0.0	-75.92	399.51	4.55	-71.37
C[N@H+]1CCC(CC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029561368	1	52	0.0	-76.57	399.07	4.42	-72.15
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029561380	0	51	0.0	-76.78	403.73	2.80	-73.98
CCC(C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029561385	0	51	0.0	-71.14	381.71	3.89	-67.25
C[NH+](C)CCCCC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029561452	0	54	0.0	-75.79	418.10	4.98	-70.81
CC(C)C(C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029561474	0	54	0.0	-72.29	396.24	4.62	-67.67
CCC[N@H+](C)CCC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029561476	0	54	0.0	-74.82	414.33	4.81	-70.01
CCC[N@@H+](C)CCC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029561476	1	54	0.0	-74.15	414.80	4.91	-69.24
CCC[N@H+](C)CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029561482	0	51	0.0	-71.28	392.43	4.34	-66.94
CCC[N@@H+](C)CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029561482	1	51	0.0	-71.42	392.44	4.34	-67.08
O=C(NC1(C2CCN(C(=O)C34CC[N@H+](C3)CCC4)C2)CC1)C1=CC(=O)[N-]O1	REAL300029561506	0	53	0.0	-80.96	383.44	3.76	-77.20
O=C(NC1(C2CCN(C(=O)C34CC[N@@H+](C3)CCC4)C2)CC1)C1=CC(=O)[N-]O1	REAL300029561506	1	53	0.0	-80.35	384.56	3.76	-76.59
CCCCCC[N@H+](C)CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029561542	0	60	0.0	-72.50	456.93	6.69	-65.81
CCCCCC[N@@H+](C)CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029561542	1	60	0.0	-72.62	456.93	6.69	-65.93
CC[NH+](CC)C(C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C(C)C	REAL300029561547	0	60	0.0	-65.77	427.28	5.32	-60.45
CC1CC[NH+](CC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029561580	0	55	0.0	-71.71	416.90	5.37	-66.34
C[NH+]1CCC(OCC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029561608	0	56	0.0	-79.84	432.68	4.97	-74.87
O=C(NC1(C2CCN(C(=O)C3CC4CCCC[N@@H+]4C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029561653	0	56	0.0	-72.24	416.09	5.37	-66.87
O=C(NC1(C2CCN(C(=O)C3CC4CCCC[N@H+]4C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029561653	1	56	0.0	-74.01	416.28	5.31	-68.70
C[NH+](C)CC1(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029561664	0	52	0.0	-69.79	398.40	4.44	-65.35
CC1=[NH+]C=C2CCC(C(=O)N3CCC(C4(NC(=O)C5=CC(=O)[N-]O5)CC4)C3)CN21	REAL300029561665	1	54	0.0	-68.10	422.37	5.55	-62.55
CC(C)[NH+]1CCC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029561676	0	58	0.0	-75.28	431.09	5.63	-69.65
CC[N@H+](C)CCC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029561701	0	51	0.0	-73.71	394.06	4.14	-69.57
CC[N@@H+](C)CCC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029561701	1	51	0.0	-73.45	393.30	4.17	-69.28
CC(C)(C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+]1CCCCC1	REAL300029561727	0	58	0.0	-69.09	413.26	5.47	-63.62
O=C(NC1(C2CCN(C(=O)C3C[NH+]4CCC3CC4)C2)CC1)C1=CC(=O)[N-]O1	REAL300029561737	0	53	0.0	-79.33	385.55	3.86	-75.47
C[NH+]1CCC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029561817	0	52	0.0	-76.35	396.39	4.44	-71.91
CC(C)[C@H](C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029561835	0	54	0.0	-69.05	397.05	4.72	-64.33
CC[NH+](CC)CC(F)C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029561930	0	54	0.0	-75.86	414.57	4.78	-71.08
CC(C)C[N@@H+]1CCC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029561965	0	58	0.0	-72.51	434.23	5.63	-66.88
CC(C)C[N@H+]1CCC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029561965	1	58	0.0	-73.74	433.68	5.65	-68.09
C[NH+](C)C1(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CCC1	REAL300029561969	0	52	0.0	-74.96	379.74	3.81	-71.15
CCC(C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](CC)CC	REAL300029562000	0	57	0.0	-70.51	413.64	5.25	-65.26
CC1CCC[N@@H+]1CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029562020	0	52	0.0	-68.17	391.12	4.18	-63.99
CC1CCC[N@H+]1CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029562020	1	52	0.0	-67.73	391.89	4.30	-63.43
CC(C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+]1CCCCCC1	REAL300029562090	0	58	0.0	-67.18	420.11	5.16	-62.02
CC(C)[N@@H+]1CCCCC1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029562092	0	58	0.0	-66.17	422.94	5.24	-60.93
CC(C)[N@H+]1CCCCC1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029562092	1	58	0.0	-66.65	416.07	4.97	-61.68
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029562113	0	55	0.0	-67.70	407.65	4.73	-62.97
CC(C)[N@H+]1CCCC1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029562113	1	55	0.0	-67.53	403.07	5.10	-62.43
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029562119	0	58	0.0	-63.57	423.70	5.07	-58.50
CC(C)[N@H+]1CCCC1CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029562119	1	58	0.0	-66.69	422.23	5.00	-61.69
CC(C)[C@@H](C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029562134	0	54	0.0	-72.40	395.50	4.45	-67.95
CC1CC[N@H+](CC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029562155	0	52	0.0	-70.36	398.57	4.61	-65.75
CC1CC[N@@H+](CC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029562155	1	52	0.0	-70.53	398.50	4.68	-65.85
CC1=[NH+]C=C2CC(C(=O)N3CCC(C4(NC(=O)C5=CC(=O)[N-]O5)CC4)C3)CCN21	REAL300029562157	1	54	0.0	-71.65	421.71	5.56	-66.09
CC1(C)CC[N@H+](CC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029562160	0	55	0.0	-70.29	418.23	5.18	-65.11
CC1(C)CC[N@@H+](CC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029562160	1	55	0.0	-70.55	418.77	5.19	-65.36
C[N@H+](CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)CC(C)(C)C	REAL300029562161	0	57	0.0	-71.05	421.72	5.36	-65.69
C[N@@H+](CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)CC(C)(C)C	REAL300029562161	1	57	0.0	-71.06	423.67	5.52	-65.54
CC[C@@H](C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029562170	0	51	0.0	-71.07	382.24	3.96	-67.11
CN(CCC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C1=CC=[NH+]C=C1	REAL300029562297	0	54	0.0	-71.86	428.44	4.58	-67.28
CC1=[NH+]C=CN1CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029562381	1	47	0.0	-67.56	382.61	4.53	-63.03
CC(C[NH+]1CCOCC1)C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029562383	0	56	0.0	-76.10	423.61	3.51	-72.59
O=C(CCC[NH+]1CCCCC1)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029562400	0	58	0.0	-73.78	438.23	6.07	-67.71
C[NH+](C)CC1=CC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=NO1	REAL300029562418	1	51	0.0	-78.68	408.36	4.03	-74.65
CC1=C(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C=CC2=C[NH+]=CN21	REAL300029562419	0	50	0.0	-72.15	404.76	6.69	-65.46
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029562454	1	53	0.0	-66.49	418.85	5.65	-60.84
O=C(NC1(C2CCN(C(=O)C3CCCC4CCC[N@@H+]43)C2)CC1)C1=CC(=O)[N-]O1	REAL300029562490	0	56	0.0	-67.91	404.58	4.89	-63.02
O=C(NC1(C2CCN(C(=O)C3CCCC4CCC[N@H+]43)C2)CC1)C1=CC(=O)[N-]O1	REAL300029562490	1	56	0.0	-68.10	400.87	4.37	-63.73
CC[N@@H+]1CCOC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029562512	1	53	0.0	-77.56	395.46	3.56	-74.00
CC[N@H+]1CCOC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029562512	1	53	0.0	-79.97	403.22	3.76	-76.21
O=C(NC1(C2CCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029562565	0	47	0.0	-72.75	387.63	6.30	-66.45
CC1=C[NH+]=CN1CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029562570	1	47	0.0	-71.67	382.96	5.27	-66.40
C[C@@H]1[C@H](C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@@H+]1C	REAL300029562586	0	52	0.0	-77.61	388.75	3.86	-73.75
C[C@@H]1[C@H](C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@H+]1C	REAL300029562586	1	52	0.0	-76.41	395.04	4.14	-72.27
CC[C@@H]1[C@@H](C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@@H+]1C	REAL300029562591	0	55	0.0	-74.96	406.04	4.44	-70.52
CC[C@@H]1[C@@H](C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@H+]1C	REAL300029562591	1	55	0.0	-69.95	409.23	4.92	-65.03
CC1CCC(C)[NH+]1CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029562604	0	55	0.0	-67.06	411.24	4.78	-62.28
O=C(CCC[NH+]1CCCC1)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029562610	0	55	0.0	-73.46	422.55	5.37	-68.09
C[NH+](C)CC1=CC=CC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=C1	REAL300029562611	0	55	0.0	-80.83	429.53	6.02	-74.81
C#CC[NH+]1CCC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029562617	0	54	0.0	-80.27	421.44	5.60	-74.67
O=C(CC[NH+]1CCCCC1)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029562618	0	55	0.0	-73.39	416.73	5.26	-68.13
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029562622	0	55	0.0	-60.54	425.56	6.04	-54.50
CC[N@@H+]1CCCCC1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029562626	0	55	0.0	-71.15	398.80	4.22	-66.93
CC[N@H+]1CCCCC1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029562626	1	55	0.0	-67.90	411.49	5.08	-62.82
C[NH+](C)C(C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C1=CC=CC=C1	REAL300029562629	1	55	0.0	-67.20	420.52	6.00	-61.20
O=C(CN1C=[NH+]C2=C1CCCC2)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029562634	1	54	0.0	-71.10	424.83	7.00	-64.10
C[NH+](C)C1(CC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CCCC1	REAL300029562670	0	58	0.0	-75.15	417.07	5.40	-69.75
C[N@H+](CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CCC1	REAL300029562835	0	52	0.0	-68.77	399.42	4.92	-63.85
C[N@@H+](CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CCC1	REAL300029562835	1	52	0.0	-69.58	399.33	4.91	-64.67
CC(C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+]1C(C)CCC1C	REAL300029562860	0	58	0.0	-64.91	421.08	4.95	-59.96
O=C(CCCC[NH+]1CCCC1)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029562873	0	58	0.0	-74.03	445.29	6.24	-67.79
C[N@H+](CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)CC1=CC=CC=C1	REAL300029562875	1	55	0.0	-75.61	429.86	6.53	-69.08
C[N@@H+](CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)CC1=CC=CC=C1	REAL300029562875	1	55	0.0	-75.85	429.92	6.53	-69.32
C[NH+]1CCC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029562886	0	52	0.0	-76.35	396.39	4.44	-71.91
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029562931	0	49	0.0	-68.66	371.83	3.40	-65.26
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029562931	1	49	0.0	-69.41	374.78	3.67	-65.74
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029562955	1	51	0.0	-69.71	398.49	4.62	-65.09
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029562955	1	51	0.0	-69.05	401.58	4.93	-64.12
C[N@@H+]1CCCC1CCC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029562961	0	55	0.0	-74.46	420.65	5.45	-69.01
C[N@H+]1CCCC1CCC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029562961	1	55	0.0	-71.61	414.75	4.96	-66.65
O=C(NC1(C2CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)CC1)C1=CC(=O)[N-]O1	REAL300029562972	0	56	0.0	-72.51	399.51	4.57	-67.94
O=C(NC1(C2CCN(C(=O)C3CCC4CCCC[N@@H+]43)C2)CC1)C1=CC(=O)[N-]O1	REAL300029562979	0	56	0.0	-67.06	415.65	5.51	-61.55
O=C(NC1(C2CCN(C(=O)C3CCC4CCCC[N@H+]43)C2)CC1)C1=CC(=O)[N-]O1	REAL300029562979	1	56	0.0	-68.34	412.65	5.36	-62.98
CCC[N@@H+]1CCCC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029563052	0	58	0.0	-69.45	424.02	5.38	-64.07
CCC[N@H+]1CCCC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029563052	1	58	0.0	-73.30	432.21	5.22	-68.08
CC(C)[N@@H+]1CCOC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029563069	1	56	0.0	-78.85	420.87	4.30	-74.55
CC(C)[N@H+]1CCOC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029563069	1	56	0.0	-78.30	420.23	4.30	-74.00
C[N@@H+]1CCCCC1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029563100	0	52	0.0	-73.21	385.80	4.14	-69.07
C[N@H+]1CCCCC1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029563100	1	52	0.0	-69.07	393.97	4.45	-64.62
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029563124	0	58	0.0	-67.90	433.55	5.92	-61.98
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029563124	1	58	0.0	-68.69	430.31	5.37	-63.32
O=C(C[NH+]1CCC(CO)CC1)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029563139	0	56	0.0	-72.65	427.73	2.05	-70.60
CC1C(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@@H+]1C	REAL300029563185	0	52	0.0	-72.55	394.40	4.25	-68.30
CC1C(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@H+]1C	REAL300029563185	1	52	0.0	-71.48	393.59	4.48	-67.00
C[N@@H+]1CCCCC1CCC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029563187	0	58	0.0	-71.57	434.52	5.88	-65.69
C[N@H+]1CCCCC1CCC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029563187	1	58	0.0	-77.01	427.15	5.68	-71.33
NC1=[NH+]C2=C(C=C1C(=O)N1CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C1)CCC2	REAL300029563219	1	52	0.0	-64.72	406.81	3.62	-61.10
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029563283	0	55	0.0	-70.13	392.83	4.04	-66.09
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029563283	1	55	0.0	-69.41	391.67	3.81	-65.60
C[C@@H](C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029563302	0	48	0.0	-68.45	369.24	3.24	-65.21
C[NH+](C)CC1=CC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=CC=N1	REAL300029563316	1	54	0.0	-80.46	421.16	4.50	-75.96
C=CCC(C)(C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029563320	0	55	0.0	-73.79	394.02	4.78	-69.01
O=C(CC[NH+]1CCCC1)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029563345	0	52	0.0	-73.62	401.06	4.55	-69.07
C[N@H+](CCO)CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029563355	1	49	0.0	-72.54	381.29	0.37	-72.17
C[N@@H+](CCO)CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029563355	1	49	0.0	-71.41	381.07	0.35	-71.06
O=C(NC1(C2CCN(C(=O)C3C[N@@H+]4CCN3CCC4)C2)CC1)C1=CC(=O)[N-]O1	REAL300029563393	0	55	0.0	-83.97	395.55	2.25	-81.72
O=C(NC1(C2CCN(C(=O)C3C[N@H+]4CCN3CCC4)C2)CC1)C1=CC(=O)[N-]O1	REAL300029563393	1	55	0.0	-80.89	399.72	2.02	-78.87
CC(C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+]1CCSCC1	REAL300029563415	1	53	0.0	-71.44	409.06	4.75	-66.69
C[N@H+]1CC=C(CC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029563455	0	53	0.0	-71.52	411.85	5.16	-66.36
C[N@@H+]1CC=C(CC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029563455	1	53	0.0	-69.48	411.86	5.16	-64.32
C[S+](C)CCC(O)C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029563470	0	51	0.0	-75.44	413.28	2.28	-73.16
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029563489	0	53	0.0	-67.66	393.46	0.34	-67.32
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029563489	1	53	0.0	-73.16	390.92	0.48	-72.68
CN1CC[N@H+](C)CC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029563502	0	57	0.0	-77.39	425.74	2.78	-74.61
CN1CC[N@@H+](C)CC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029563502	1	57	0.0	-67.34	422.41	2.71	-64.63
CC(C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[N@@H+]1CCCC(O)C1	REAL300029563503	0	56	0.0	-68.55	419.95	1.92	-66.63
CC(C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[N@H+]1CCCC(O)C1	REAL300029563503	1	56	0.0	-69.82	421.50	1.61	-68.21
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029563530	0	52	0.0	-72.14	413.30	3.63	-68.51
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029563536	0	56	0.0	-72.21	419.91	3.27	-68.94
C[N@H+]1CCCC(O)(CC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029563536	1	56	0.0	-72.26	410.93	3.24	-69.02
CC1C[NH+](CC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029563541	1	49	0.0	-71.44	384.50	4.04	-67.40
CC[N@@H+]1CCCC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029563548	0	55	0.0	-71.14	414.68	4.95	-66.19
CC[N@H+]1CCCC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029563548	1	55	0.0	-71.26	413.31	4.98	-66.28
NC1=[NH+]C=CC=C1CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029563554	0	48	0.0	-66.88	387.45	2.76	-64.12
O=C(NC1(C2CCN(C(=O)C3CCC[N@@H+]3C3CC3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029563567	0	53	0.0	-70.71	399.83	4.26	-66.45
O=C(NC1(C2CCN(C(=O)C3CCC[N@H+]3C3CC3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029563567	1	53	0.0	-70.51	402.21	4.72	-65.79
O=C(C=CC[NH+]1CCCC1)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029563610	0	53	0.0	-76.16	414.77	5.33	-70.83
O=C(NC1(C2CCN(C(=O)C3CC[NH+](C4CC4)CC3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029563633	0	56	0.0	-73.53	421.22	5.64	-67.89
CC[N@H+](C)CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029563680	0	48	0.0	-71.09	370.94	3.60	-67.49
O=C(CN1CC2C=CC1C2)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029563740	0	51	0.0	-69.22	392.80	4.91	-64.31
O=C(C[N@@H+]1CC2C=CC1C2)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029563740	1	51	0.0	-69.49	392.98	4.91	-64.58
O=C(C[N@H+]1CC2C=CC1C2)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029563740	1	51	0.0	-69.49	392.98	4.91	-64.58
CC1=CC=C(NCCC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)N=C1	REAL300029563762	0	54	0.0	-69.10	431.59	4.24	-64.86
CC1=CC=C(NCCC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)[NH+]=C1	REAL300029563762	1	54	0.0	-69.10	431.59	4.24	-64.86
O=C(NC1(C2CCN(C(=O)C34CCC[N@@H+]3CCCC4)C2)CC1)C1=CC(=O)[N-]O1	REAL300029563868	0	56	0.0	-65.71	399.54	4.58	-61.13
O=C(NC1(C2CCN(C(=O)C34CCC[N@H+]3CCCC4)C2)CC1)C1=CC(=O)[N-]O1	REAL300029563868	1	56	0.0	-66.16	400.01	4.55	-61.61
O=C(NC1(C2CCN(C(=O)C34CCC[N@@H+]3CC=CC4)C2)CC1)C1=CC(=O)[N-]O1	REAL300029563877	0	54	0.0	-66.10	393.01	4.58	-61.52
O=C(NC1(C2CCN(C(=O)C34CCC[N@H+]3CC=CC4)C2)CC1)C1=CC(=O)[N-]O1	REAL300029563877	1	54	0.0	-65.88	392.77	4.46	-61.42
CC(OCC[NH+](C)C)C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029563888	0	55	0.0	-68.55	423.64	4.40	-64.15
C[NH+](C)CCOCCC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029563898	0	55	0.0	-73.82	430.79	3.72	-70.10
COCC[N@H+](C)CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029563900	1	52	0.0	-71.05	403.33	2.76	-68.29
COCC[N@@H+](C)CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029563900	1	52	0.0	-72.79	403.54	2.77	-70.02
O=C(NC1(C2CCN(C(=O)C3C[NH+](C4CCOC4)C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029563901	0	54	0.0	-76.25	419.76	3.31	-72.94
CC(CCC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029563906	0	54	0.0	-77.64	406.72	4.64	-73.00
C[NH+]1CCC(=CC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029563925	0	53	0.0	-74.95	406.44	5.24	-69.71
CC[N@H+](CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300029563933	0	52	0.0	-67.47	401.80	4.95	-62.52
CC[N@@H+](CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300029563933	1	52	0.0	-68.08	400.07	4.91	-63.17
CC1C[N@@H+]2CCN1C(C(=O)N1CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C1)C2	REAL300029563949	0	55	0.0	-82.21	402.00	1.64	-80.57
CC1C[N@H+]2CCN1C(C(=O)N1CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C1)C2	REAL300029563949	1	55	0.0	-82.15	401.86	1.62	-80.53
C[N@@H+]1CC2CC1(C(=O)N1CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C1)C2	REAL300029563974	0	50	0.0	-75.79	378.13	4.10	-71.69
C[N@H+]1CC2CC1(C(=O)N1CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C1)C2	REAL300029563974	1	50	0.0	-73.10	379.22	4.14	-68.96
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029563984	1	52	0.0	-72.20	417.43	3.57	-68.63
O=C(C[N@@H+]1CC2CCC1C2)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029563991	0	53	0.0	-69.04	397.32	4.73	-64.31
O=C(C[N@H+]1CC2CCC1C2)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029563991	1	53	0.0	-69.16	397.09	4.73	-64.43
CC(C[NH+](C)C)C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029564013	0	51	0.0	-76.57	391.60	3.95	-72.62
C[NH+](C)C1(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029564030	0	49	0.0	-71.31	374.12	3.55	-67.76
C[C@H](C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029564056	0	48	0.0	-69.21	368.33	3.25	-65.96
CC[N@@H+]1CCC1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029564065	0	49	0.0	-71.85	384.30	3.76	-68.09
CC[N@H+]1CCC1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029564065	1	49	0.0	-71.70	384.29	3.76	-67.94
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029564078	0	58	0.0	-71.78	430.57	5.48	-66.30
CC(C)[N@H+]1CCCC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029564078	1	58	0.0	-70.35	431.17	5.50	-64.85
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029564093	0	57	0.0	-71.02	416.50	3.42	-67.60
C#CC[N@H+]1CCCCC1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029564137	1	54	0.0	-66.72	417.37	5.51	-61.21
C#CC[N@@H+]1CCCCC1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029564137	1	54	0.0	-68.86	413.51	5.00	-63.86
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029564138	1	51	0.0	-65.60	403.10	3.53	-62.07
NC1=CC=[NH+]C=C1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029564139	0	45	0.0	-71.56	361.92	0.89	-70.67
CCCC(C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029564148	0	54	0.0	-70.68	401.84	4.48	-66.20
C[NH+](C)C(C)(C)C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029564155	0	51	0.0	-72.43	371.41	3.63	-68.80
CC(CC[NH+](C)C)C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029564174	0	54	0.0	-77.01	413.26	4.56	-72.45
O=C(NC1(C2CCN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029564245	0	54	0.0	-70.26	407.61	5.36	-64.90
O=C(NC1(C2CCN(C(=O)C34CC(C3)C[N@H+]4C3CC3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029564245	1	54	0.0	-71.02	404.83	6.19	-64.83
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029564284	0	55	0.0	-67.26	413.43	4.74	-62.52
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029564284	1	55	0.0	-66.90	414.68	4.89	-62.01
C[NH+](C)CCCCCC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029564289	0	57	0.0	-74.82	440.83	5.84	-68.98
O=C(CC[NH+]1CCC(O)CC1)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029564293	0	56	0.0	-77.38	427.36	1.88	-75.50
CCC[N@@H+]1CCCCC1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029564297	0	58	0.0	-69.21	425.01	5.58	-63.63
CCC[N@H+]1CCCCC1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029564297	1	58	0.0	-72.01	424.43	5.46	-66.55
C[NH+]1CCN(CC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029564307	1	54	0.0	-72.07	412.11	2.32	-69.75
CC1C[N@H+](C)CC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)O1	REAL300029564409	1	53	0.0	-83.45	399.53	3.52	-79.93
CC1C[N@@H+](C)CC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)O1	REAL300029564409	1	53	0.0	-85.68	399.33	3.80	-81.88
CCC1CCC[N@H+](CC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029564442	0	58	0.0	-72.07	426.69	5.89	-66.18
CCC1CCC[N@@H+](CC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029564442	1	58	0.0	-71.85	433.71	5.93	-65.92
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)N1	REAL300029564451	0	53	0.0	-84.99	414.59	4.21	-80.78
O=C(C[NH+]1CC2CC2C1)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029564466	0	50	0.0	-71.27	388.67	4.82	-66.45
O=C(CC1([NH+]2CCCC2)CC1)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029564479	0	56	0.0	-68.88	418.32	5.69	-63.19
C[N@@H+]1CCCCC1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029564518	0	52	0.0	-73.21	385.80	4.14	-69.07
C[N@H+]1CCCCC1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029564518	1	52	0.0	-69.07	393.97	4.45	-64.62
C[N@@H+]1CCC(=CC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029564641	0	50	0.0	-76.03	391.57	4.33	-71.70
C[N@H+]1CCC(=CC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029564641	1	50	0.0	-76.70	390.57	4.32	-72.38
O=C(CNC1=CC=[NH+]C=C1)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029564646	0	48	0.0	-73.20	388.44	2.08	-71.12
CC[NH+]1CCN(CC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029564703	0	57	0.0	-71.95	429.46	3.07	-68.88
O=C(C=C1C[NH+]2CCC1CC2)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029564706	0	54	0.0	-67.88	408.85	5.33	-62.55
C[NH+](C)C1(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CCCC1	REAL300029564744	0	55	0.0	-68.76	387.02	4.06	-64.70
C[N@H+](CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[C@@H]1CCC[C@H]1O	REAL300029564755	0	56	0.0	-68.35	424.20	2.14	-66.21
C[N@@H+](CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[C@@H]1CCC[C@H]1O	REAL300029564755	1	56	0.0	-69.90	424.20	2.16	-67.74
CCC1C[NH+](CC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029564761	0	52	0.0	-72.48	405.87	4.79	-67.69
O=C(NC1(C2CCN(C(=O)C3([NH+]4CCCC4)CCC3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029564765	0	56	0.0	-72.26	408.48	5.15	-67.11
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029564779	0	49	0.0	-68.64	374.25	3.56	-65.08
C[N@H+]1CCC[C@H]1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029564779	1	49	0.0	-71.70	372.05	3.28	-68.42
CC[N@@H+]1CCOCC1CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029564810	0	56	0.0	-75.22	416.88	3.26	-71.96
NC1=CC=C(CCC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C=[NH+]1	REAL300029564850	0	51	0.0	-71.02	412.22	3.46	-67.56
O=C(CC1=CC2=C[NH+]=CN2C=C1)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029564856	0	50	0.0	-71.10	407.13	7.03	-64.07
NC1=[NH+]C2=CC(C(=O)N3CCC(C4(NC(=O)C5=CC(=O)[N-]O5)CC4)C3)=CC=C2N1	REAL300029564900	1	49	0.0	-75.01	391.22	3.68	-71.33
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029564938	0	52	0.0	-73.66	398.31	4.04	-69.62
C[NH+](C)C1CCC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029564953	0	58	0.0	-64.24	420.77	5.36	-58.88
C[NH+](C)CCC1(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029564954	0	55	0.0	-80.08	423.59	5.25	-74.83
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029564956	0	58	0.0	-65.16	422.32	5.59	-59.57
C[N@@H+]1CC=CCC1CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029564957	0	53	0.0	-63.53	398.92	4.83	-58.70
C[N@H+]1CC=CCC1CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029564957	1	53	0.0	-76.04	404.39	5.01	-71.03
CC1=CC(C=CC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=C[NH+]=C1N	REAL300029565007	1	52	0.0	-75.48	417.63	3.87	-71.61
C[NH+](C)CCOCC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029565020	0	52	0.0	-71.34	409.09	4.04	-67.30
CCCCC[N@H+](C)CCC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029565026	0	60	0.0	-75.69	457.32	6.37	-69.32
CCCCC[N@@H+](C)CCC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029565026	1	60	0.0	-75.08	457.80	6.48	-68.60
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)O1	REAL300029565038	0	56	0.0	-72.96	428.43	4.85	-68.11
[NH2+]=C1SC=CN1CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029565063	0	45	0.0	-68.24	380.26	3.11	-65.13
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029565137	0	55	0.0	-69.12	424.48	4.54	-64.58
O=C(CC[NH+]1CCCCCC1)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029565181	0	58	0.0	-75.78	426.75	5.46	-70.32
C[N@@H+]1CCCC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029565187	0	52	0.0	-71.98	388.31	4.48	-67.50
C[N@H+]1CCCC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029565187	1	52	0.0	-71.98	388.31	4.48	-67.50
O=C(C[NH+]1CCCCCC1)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029565191	0	55	0.0	-69.86	404.93	4.95	-64.91
CN1C=C[N+](CC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=C1	REAL300029565196	0	47	0.0	-70.21	383.96	6.32	-63.89
CN(C)CC1=CC=C(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)O1	REAL300029565214	0	52	0.0	-79.67	414.77	4.73	-74.94
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)O1	REAL300029565214	1	52	0.0	-79.67	414.77	4.73	-74.94
C[N@H+](CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300029565239	0	49	0.0	-69.06	382.61	4.35	-64.71
CC(C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)N1CCN(C)CC1	REAL300029565241	0	57	0.0	-71.80	422.59	2.59	-69.21
CC(C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)N1CC[NH+](C)CC1	REAL300029565241	1	57	0.0	-71.80	422.59	2.59	-69.21
O=C(CC[N@H+]1CCC(F)C1)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029565244	0	52	0.0	-78.10	406.77	4.59	-73.51
COC1C[N@H+](C)C(C)(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029565255	0	56	0.0	-69.78	414.35	2.60	-67.18
CC(CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C[NH+](C)C	REAL300029565275	0	54	0.0	-74.27	411.11	4.93	-69.34
O=C(NC1(C2CCN(C(=O)C3CC[N@@H+]4CCOCC34)C2)CC1)C1=CC(=O)[N-]O1	REAL300029565291	0	54	0.0	-67.72	405.44	3.14	-64.58
O=C(NC1(C2CCN(C(=O)C3CC[N@H+]4CCOCC34)C2)CC1)C1=CC(=O)[N-]O1	REAL300029565291	1	54	0.0	-67.72	405.44	3.14	-64.58
CN1CCOCC1CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029565313	0	53	0.0	-65.92	395.89	2.50	-63.42
C[N@@H+]1CCOCC1CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029565313	1	53	0.0	-69.44	396.33	2.63	-66.81
C[N@H+]1CCOCC1CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029565313	1	53	0.0	-69.44	396.33	2.63	-66.81
CC1=CC(N)=NC=C1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029565376	0	48	0.0	-74.54	382.40	2.17	-72.37
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029565376	1	48	0.0	-74.54	382.40	2.17	-72.37
CC1(O)CC[N@H+](CC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029565420	0	53	0.0	-72.27	409.72	1.36	-70.91
C[NH+]1CC(CC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029565455	0	49	0.0	-74.14	385.26	3.74	-70.40
O=C(NC1(C2CCN(C(=O)C3CC[N@@H+]3C3CCCC3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029565460	0	56	0.0	-72.90	423.20	5.61	-67.29
O=C(NC1(C2CCN(C(=O)C3CC[N@H+]3C3CCCC3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029565460	1	56	0.0	-72.90	423.20	5.61	-67.29
C[N@H+](CCO)CCC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029565497	0	52	0.0	-73.22	403.64	0.94	-72.28
C[N@@H+](CCO)CCC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029565497	1	52	0.0	-73.22	403.64	0.94	-72.28
C[N@@H+]1CCCCC1CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029565520	0	55	0.0	-63.03	404.48	4.90	-58.13
C[N@H+]1CCCCC1CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029565520	1	55	0.0	-63.03	404.48	4.90	-58.13
CC1=C2C=C(C(=O)N3CCC(C4(NC(=O)C5=CC(=O)[N-]O5)CC4)C3)C=CN2C=N1	REAL300029565542	0	50	0.0	-73.86	409.70	6.89	-66.97
CC1=C2C=C(C(=O)N3CCC(C4(NC(=O)C5=CC(=O)[N-]O5)CC4)C3)C=CN2C=[NH+]1	REAL300029565542	1	50	0.0	-73.86	409.70	6.89	-66.97
CC1CC[N@@H+]1CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029565547	0	49	0.0	-70.58	384.51	3.99	-66.59
C[NH+](C)CC=CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029565561	0	49	0.0	-77.46	388.42	4.12	-73.34
CC1(C)CN(CC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029565574	0	52	0.0	-72.03	403.32	4.44	-67.59
CC1(C)C[NH+](CC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300029565574	1	52	0.0	-72.03	403.32	4.44	-67.59
CC1=C(C)NC(CCC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=N1	REAL300029565593	0	53	0.0	-67.60	424.20	4.21	-63.39
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)N1	REAL300029565593	1	53	0.0	-67.60	424.20	4.21	-63.39
CC1=C2C=C(C(=O)N3CCC(C4(NC(=O)C5=CC(=O)[N-]O5)CC4)C3)C=CN2C=N1	REAL300029565604	0	50	0.0	-73.86	409.70	6.89	-66.97
CC1=C2C=C(C(=O)N3CCC(C4(NC(=O)C5=CC(=O)[N-]O5)CC4)C3)C=CN2C=[NH+]1	REAL300029565604	1	50	0.0	-73.86	409.70	6.89	-66.97
C[NH+](C)CCSCC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029565614	0	52	0.0	-78.30	420.10	4.90	-73.40
O=C(C[N@H+]1CCCC1CO)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029565640	0	53	0.0	-70.39	403.07	0.96	-69.43
CC[NH+](CC)CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029565644	0	51	0.0	-69.71	384.83	3.92	-65.79
C[N@H+](CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CCSC1	REAL300029565655	0	53	0.0	-78.43	412.07	5.04	-73.39
O=C(CN1CCC1)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029565657	0	46	0.0	-71.51	363.51	3.41	-68.10
O=C(C[NH+]1CCC1)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029565657	1	46	0.0	-71.51	363.51	3.41	-68.10
CC[NH+](CC)CCC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029565708	0	54	0.0	-73.02	407.51	4.52	-68.50
O=C(NC1(C2CCN(C(=O)C3CC4COCC[N@@H+]4C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029565800	0	54	0.0	-75.13	406.92	2.97	-72.16
O=C(NC1(C2CCN(C(=O)C3CC4COCC[N@H+]4C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029565800	1	54	0.0	-75.13	406.92	2.97	-72.16
CCC(CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C[NH+](C)C	REAL300029565822	0	57	0.0	-74.34	424.74	5.45	-68.89
C[NH+](C)CC(C)(C)C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029565830	0	54	0.0	-76.78	392.47	4.39	-72.39
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029565894	0	52	0.0	-73.71	385.61	4.18	-69.53
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029565894	1	52	0.0	-66.92	393.91	4.46	-62.46
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029565909	0	55	0.0	-72.79	401.93	1.57	-71.22
CC1CN2CC[N@H+]1CC2C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029565909	1	55	0.0	-73.99	401.99	1.57	-72.42
C[NH+](C)CC(O)CC(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029565930	0	52	0.0	-78.08	405.34	1.90	-76.18
C[NH+]1C2CCC1CC(C(=O)N1CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C1)C2	REAL300029565933	0	56	0.0	-70.20	386.70	4.66	-65.54
C=CCC(C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300029565966	0	52	0.0	-68.85	393.73	4.18	-64.67
O=C(NC1(C2CCN(C(=O)C3CC4CCCC[N@@H+]4C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029565976	0	56	0.0	-72.24	416.09	5.37	-66.87
O=C(NC1(C2CCN(C(=O)C3CC4CCCC[N@H+]4C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029565976	1	56	0.0	-74.01	416.28	5.31	-68.70
C[NH+]1CCC(C)(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029565987	0	55	0.0	-67.35	399.20	4.30	-63.05
C[NH+]1CCC(O)(CC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300029565989	0	56	0.0	-73.01	423.74	3.30	-69.71
CC1=C2C=C(C(=O)NC3(C4CCN(C(=O)C5=CC(=O)[N-]O5)C4)CC3)C=CN2C=[NH+]1	REAL300029566065	1	50	0.0	-71.80	402.18	6.76	-65.04
C[NH+](C)CCSCC(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029566073	0	52	0.0	-74.88	416.74	4.62	-70.26
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC2COCC[N@@H+]2C1	REAL300029566080	0	54	0.0	-68.74	408.79	3.15	-65.59
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC2COCC[N@H+]2C1	REAL300029566080	1	54	0.0	-69.51	408.75	3.15	-66.36
C[N@@H+]1CCCC1C(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029566242	0	53	0.0	-67.47	391.32	2.47	-65.00
C[N@H+]1CCCC1C(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029566242	1	53	0.0	-68.22	391.28	2.35	-65.87
C[N@@H+]1CCOC(C(=O)NC2CCOC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029566266	1	54	0.0	-62.58	401.58	2.10	-60.48
C[N@H+]1CCOC(C(=O)NC2CCOC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029566266	1	54	0.0	-72.56	401.54	2.11	-70.45
CC1=[NH+]C=CN1CC(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029566403	1	51	0.0	-66.88	400.80	3.43	-63.45
C[C@@H]1[C@H](C(=O)NC2CCOC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC[N@@H+]1C	REAL300029566420	0	56	0.0	-68.39	407.50	3.04	-65.35
C[C@@H]1[C@H](C(=O)NC2CCOC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC[N@H+]1C	REAL300029566420	1	56	0.0	-74.34	412.78	3.03	-71.31
C[N@H+](CC(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CCC1	REAL300029566445	0	56	0.0	-64.85	417.43	3.78	-61.07
C[N@@H+](CC(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CCC1	REAL300029566445	1	56	0.0	-69.50	417.60	3.81	-65.69
C[NH+]1CCC(C(=O)NC2CCOC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300029566470	0	56	0.0	-73.31	415.92	3.45	-69.86
CC1=C[NH+]=CN1CC(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029566486	1	51	0.0	-71.11	401.13	4.16	-66.95
C[N@@H+]1CCC(CC(=O)NC2CCOC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029566493	0	56	0.0	-67.32	417.84	3.42	-63.90
C[N@H+]1CCC(CC(=O)NC2CCOC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029566493	1	56	0.0	-72.55	418.35	3.40	-69.15
CCC(C(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029566496	0	55	0.0	-64.39	399.68	3.06	-61.33
C[NH+](C)CCCCC(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029566508	0	58	0.0	-68.62	436.69	3.93	-64.69
CCC[N@H+](C)CCC(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029566513	0	58	0.0	-67.70	432.92	3.76	-63.94
CCC[N@@H+](C)CCC(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029566513	1	58	0.0	-67.69	432.90	3.78	-63.91
CCC[N@H+](C)CC(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029566514	0	55	0.0	-66.63	410.56	3.22	-63.41
CCC[N@@H+](C)CC(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029566514	1	55	0.0	-71.28	410.60	3.24	-68.04
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029566526	0	53	0.0	-67.30	391.57	2.45	-64.85
C[N@H+]1CCC[C@@H]1C(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029566526	1	53	0.0	-63.95	396.39	2.84	-61.11
CC[NH+](CC)CC(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029566534	0	55	0.0	-65.85	407.27	3.25	-62.60
C[NH+](C)CC1(C(=O)NC2CCOC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300029566579	0	56	0.0	-70.22	418.32	4.18	-66.04
C[NH+]1CCC(C(=O)NC2CCOC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300029566597	0	56	0.0	-73.31	415.92	3.45	-69.86
CC[N@H+](C)CCC(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029566630	0	55	0.0	-67.06	411.43	3.01	-64.05
CC[N@@H+](C)CCC(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029566630	1	55	0.0	-67.33	411.43	3.00	-64.33
CC1CCC[N@@H+]1CC(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029566639	0	56	0.0	-63.45	416.71	3.61	-59.84
CC1CCC[N@H+]1CC(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029566639	1	56	0.0	-68.80	416.22	3.49	-65.31
CC1CC[N@H+](CC(=O)NC2CCOC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029566640	0	56	0.0	-66.42	417.69	3.64	-62.78
CC1CC[N@@H+](CC(=O)NC2CCOC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029566640	1	56	0.0	-65.67	417.03	3.56	-62.11
CC[C@@H](C(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029566642	0	55	0.0	-68.46	401.21	2.94	-65.52
C[NH+](C)CC(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029566672	0	49	0.0	-67.07	371.33	1.80	-65.27
CN1C=C[N+](CC(=O)NC2CCOC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)=C1	REAL300029566673	0	51	0.0	-67.89	402.60	5.33	-62.56
C[N@@H+]1CCCC(C(=O)NC2CCOC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029566676	0	56	0.0	-70.91	415.89	3.44	-67.47
C[N@H+]1CCCC(C(=O)NC2CCOC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029566676	1	56	0.0	-60.89	409.62	3.63	-57.26
CC(C(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+]1CCC1	REAL300029566682	1	53	0.0	-64.02	399.51	2.89	-61.13
C[N@H+](CC(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300029566691	0	53	0.0	-64.11	400.59	3.20	-60.91
C[N@@H+](CC(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300029566691	1	53	0.0	-64.15	400.73	3.21	-60.94
C[NH+]1CC(CC(=O)NC2CCOC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029566700	0	53	0.0	-66.26	402.77	2.62	-63.64
C[C@@H](C(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029566713	0	52	0.0	-69.95	388.85	2.23	-67.72
C[N@H+](CCO)CCC(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029566748	0	56	0.0	-67.95	421.78	-0.21	-68.16
C[N@@H+](CCO)CCC(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029566748	1	56	0.0	-66.22	421.62	-0.18	-66.40
C[C@@H](C(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029566749	0	52	0.0	-69.95	388.85	2.23	-67.72
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029566752	0	56	0.0	-69.48	403.95	3.27	-66.21
C[N@H+]1CCCC[C@@H]1C(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029566752	1	56	0.0	-61.63	413.43	3.41	-58.22
C[N@@H+]1CCC(=CC(=O)NC2CCOC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029566784	0	54	0.0	-69.50	410.17	3.32	-66.18
C[N@H+]1CCC(=CC(=O)NC2CCOC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029566784	1	54	0.0	-70.04	409.20	3.39	-66.65
C[NH+](C)CCOCC(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029566792	0	56	0.0	-68.07	427.20	2.85	-65.22
C[C@H](C(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029566802	0	52	0.0	-68.85	389.90	2.27	-66.58
CC1C[NH+](CC(=O)NC2CCOC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029566818	1	53	0.0	-70.93	402.30	2.86	-68.07
C[N@H+](CCO)CC(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029566830	1	53	0.0	-72.10	399.42	-0.79	-72.89
C[N@@H+](CCO)CC(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029566830	1	53	0.0	-70.89	399.27	-0.76	-71.65
CC(CC(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C[NH+](C)C	REAL300029566840	0	58	0.0	-68.36	428.71	3.88	-64.48
CC[N@H+](C)CC(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029566842	0	52	0.0	-66.21	389.06	2.47	-63.74
CC[N@@H+](C)CC(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029566842	1	52	0.0	-70.89	389.10	2.49	-68.40
CC[N@H+](CC(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300029566851	0	56	0.0	-62.91	419.90	3.85	-59.06
CC[N@@H+](CC(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300029566851	1	56	0.0	-63.90	417.00	3.83	-60.07
CC[NH+](CC)CCC(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029566856	0	58	0.0	-67.11	429.53	3.82	-63.29
C[NH+](C)CC=CC(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029566870	0	53	0.0	-75.51	408.60	3.08	-72.43
COCC[N@H+](C)CC(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029566877	1	56	0.0	-70.53	421.52	1.65	-68.88
COCC[N@@H+](C)CC(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029566877	1	56	0.0	-72.38	421.67	1.61	-70.77
CC(CCC(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029566885	0	58	0.0	-70.33	424.92	3.63	-66.70
CC[N@@H+]1CCC1C(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029566890	1	53	0.0	-70.85	402.94	2.77	-68.08
CC[N@H+]1CCC1C(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029566890	1	53	0.0	-69.40	396.36	2.60	-66.80
C=CCC(C(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029566912	0	56	0.0	-66.99	419.64	3.60	-63.39
O=C(C[NH+]1CC2CC2C1)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029566919	0	54	0.0	-71.03	406.70	3.70	-67.33
CCCC(C(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029566927	0	58	0.0	-67.79	426.40	3.80	-63.99
C[N@@H+]1CCCCC1C(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029566937	0	56	0.0	-65.66	404.01	3.34	-62.32
C[N@H+]1CCCCC1C(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029566937	1	56	0.0	-67.90	404.10	3.25	-64.65
O=C(CC[NH+]1CCCC1)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029566970	0	56	0.0	-66.74	419.66	3.53	-63.21
CC(C[NH+](C)C)C(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029567006	0	55	0.0	-68.03	409.88	3.18	-64.85
CC(C(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+]1CC(C)C1	REAL300029567027	1	56	0.0	-68.63	419.58	3.67	-64.96
CC1CC[N@@H+]1CC(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029567028	1	53	0.0	-69.39	397.40	2.75	-66.64
CC1CC[N@H+]1CC(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029567028	1	53	0.0	-68.68	397.00	2.62	-66.06
C[NH+](C)CC(O)CC(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029567029	0	56	0.0	-70.88	424.03	0.79	-70.09
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCOC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029567056	0	56	0.0	-69.08	420.82	3.53	-65.55
CC(CC[NH+](C)C)C(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029567057	0	58	0.0	-67.92	431.34	3.72	-64.20
NC(=[NH2+])SCC(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029567074	0	47	0.0	-66.94	379.25	-1.25	-68.19
C[N@@H+]1CCC[C@H]1C(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029567130	0	53	0.0	-63.19	397.26	2.82	-60.37
C[N@H+]1CCC[C@H]1C(=O)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029567130	1	53	0.0	-71.49	391.22	2.42	-69.07
O=C(C[NH+]1CCCCC1)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029567137	1	56	0.0	-65.76	413.05	3.67	-62.09
CC1C(C(=O)NC2CCOC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC[N@@H+]1C	REAL300029567140	0	56	0.0	-74.26	407.70	2.85	-71.41
CC1C(C(=O)NC2CCOC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC[N@H+]1C	REAL300029567140	1	56	0.0	-70.32	408.86	3.09	-67.23
C[N@@H+]1CCCC1C(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029567316	0	53	0.0	-68.10	393.65	2.61	-65.49
C[N@H+]1CCCC1C(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029567316	1	53	0.0	-68.37	393.00	2.55	-65.82
C[N@@H+]1CCOC(C(=O)N2CCC3(CC2)OCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029567342	1	54	0.0	-75.28	400.45	2.14	-73.14
C[N@H+]1CCOC(C(=O)N2CCC3(CC2)OCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029567342	1	54	0.0	-75.24	400.76	2.16	-73.08
C[N@@H+]1CCC(CC(=O)N2CCC3(CC2)OCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029567493	0	56	0.0	-72.64	421.51	3.66	-68.98
C[N@H+]1CCC(CC(=O)N2CCC3(CC2)OCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029567493	1	56	0.0	-66.93	420.93	3.71	-63.22
CCC(C(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029567496	0	55	0.0	-65.83	399.10	2.82	-63.01
C[NH+](C)CCCCC(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029567507	0	58	0.0	-73.68	439.84	4.25	-69.43
CC(C)C(C(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029567513	0	58	0.0	-69.42	413.71	3.53	-65.89
CCC[N@H+](C)CCC(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029567514	0	58	0.0	-73.18	436.12	4.03	-69.15
CCC[N@@H+](C)CCC(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029567514	1	58	0.0	-73.12	436.13	4.03	-69.09
CCC[N@H+](C)CC(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029567515	0	55	0.0	-69.73	413.76	3.44	-66.29
CCC[N@@H+](C)CC(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029567515	1	55	0.0	-69.52	413.66	3.47	-66.05
C[NH+](C)CC1(C(=O)N2CCC3(CC2)OCCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029567554	0	56	0.0	-73.00	422.49	3.60	-69.40
CC[N@H+](C)CCC(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029567561	0	55	0.0	-72.39	414.63	3.28	-69.11
CC[N@@H+](C)CCC(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029567561	1	55	0.0	-72.37	414.63	3.29	-69.08
C[NH+]1CCC(C(=O)N2CCC3(CC2)OCCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029567587	0	56	0.0	-69.91	418.31	3.62	-66.29
CC(C)[C@H](C(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029567602	0	58	0.0	-61.16	417.91	3.57	-57.59
C[NH+](C)C1(C(=O)N2CCC3(CC2)OCCC3NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029567630	0	56	0.0	-62.52	398.58	3.05	-59.47
CC1CCC[N@@H+]1CC(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029567655	0	56	0.0	-65.13	413.20	3.40	-61.73
CC1CCC[N@H+]1CC(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029567655	1	56	0.0	-65.78	413.20	3.45	-62.33
CC(C)[C@@H](C(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029567669	0	58	0.0	-66.38	417.56	3.57	-62.81
CC1CC[N@H+](CC(=O)N2CCC3(CC2)OCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029567677	0	56	0.0	-63.46	420.54	3.70	-59.76
CC1CC[N@@H+](CC(=O)N2CCC3(CC2)OCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029567677	1	56	0.0	-64.02	420.68	3.79	-60.23
CC[C@@H](C(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029567680	0	55	0.0	-61.74	398.77	2.87	-58.87
CC1=[NH+]C=CN1CC(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029567722	1	51	0.0	-66.27	403.82	3.66	-62.61
CC1=C[NH+]=CN1CC(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029567741	1	51	0.0	-69.54	404.28	4.37	-65.17
C[C@@H]1[C@H](C(=O)N2CCC3(CC2)OCCC3NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029567742	0	56	0.0	-70.84	410.53	3.21	-67.63
C[C@@H]1[C@H](C(=O)N2CCC3(CC2)OCCC3NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029567742	1	56	0.0	-67.95	416.36	3.31	-64.64
C[N@H+](CC(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029567775	0	56	0.0	-67.62	420.57	4.03	-63.59
C[N@@H+](CC(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029567775	1	56	0.0	-67.92	420.76	4.01	-63.91
C[NH+]1CCC(C(=O)N2CCC3(CC2)OCCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029567782	0	56	0.0	-69.91	418.31	3.62	-66.29
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029567795	0	53	0.0	-61.07	392.93	2.61	-58.46
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029567795	1	53	0.0	-62.19	394.09	2.79	-59.40
C[N@@H+]1CCCCC1C(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029567839	0	56	0.0	-70.17	406.85	3.28	-66.89
C[N@H+]1CCCCC1C(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029567839	1	56	0.0	-61.45	403.76	3.10	-58.35
CC1C(C(=O)N2CCC3(CC2)OCCC3NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029567868	0	56	0.0	-67.19	415.18	3.35	-63.84
CC1C(C(=O)N2CCC3(CC2)OCCC3NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029567868	1	56	0.0	-65.97	411.76	3.12	-62.85
C[C@@H](C(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029567910	0	52	0.0	-63.44	391.10	2.47	-60.97
O=C(CC[NH+]1CCCC1)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029567928	0	56	0.0	-71.52	422.81	3.84	-67.68
C[N@H+](CCO)CC(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029567933	1	53	0.0	-69.88	402.51	-0.51	-70.39
C[N@@H+](CCO)CC(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029567933	1	53	0.0	-69.95	402.40	-0.54	-70.49
CC1C[NH+](CC(=O)N2CCC3(CC2)OCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029567984	1	53	0.0	-64.90	405.79	3.15	-61.75
CC[N@H+](C)CC(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029568019	0	52	0.0	-69.48	392.26	2.70	-66.78
CC[N@@H+](C)CC(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029568019	1	52	0.0	-69.19	392.16	2.73	-66.46
COCC[N@H+](C)CC(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029568072	1	56	0.0	-69.55	424.65	1.87	-67.68
COCC[N@@H+](C)CC(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029568072	1	56	0.0	-70.07	424.76	1.89	-68.18
CC(CCC(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029568074	0	58	0.0	-76.10	427.93	3.84	-72.26
CC[N@H+](CC(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029568079	0	56	0.0	-66.21	423.62	4.10	-62.11
CC[N@@H+](CC(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029568079	1	56	0.0	-67.67	415.91	3.62	-64.05
C[N@@H+]1CC2CC1(C(=O)N1CCC3(CC1)OCCC3NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029568092	0	54	0.0	-66.17	401.42	3.12	-63.05
C[N@H+]1CC2CC1(C(=O)N1CCC3(CC1)OCCC3NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029568092	1	54	0.0	-72.73	401.57	3.17	-69.56
CC(C[NH+](C)C)C(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029568101	0	55	0.0	-67.52	410.99	3.16	-64.36
C[NH+](C)C1(C(=O)N2CCC3(CC2)OCCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029568107	0	53	0.0	-62.76	393.63	2.50	-60.26
C[C@H](C(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029568118	0	52	0.0	-67.90	390.45	2.41	-65.49
CC[N@@H+]1CCC1C(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029568121	0	53	0.0	-63.90	394.70	2.58	-61.32
CC[N@H+]1CCC1C(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029568121	1	53	0.0	-64.09	405.63	2.99	-61.10
NC1=CC=[NH+]C=C1C(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029568137	0	49	0.0	-71.58	386.34	0.04	-71.54
CCCC(C(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029568141	0	58	0.0	-67.76	424.11	3.72	-64.04
C[NH+](C)C(C)(C)C(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029568144	0	55	0.0	-65.11	394.74	2.53	-62.58
CC(CC[NH+](C)C)C(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029568153	0	58	0.0	-66.69	432.97	3.77	-62.92
O=C(C[NH+]1CC2CC2C1)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029568216	0	54	0.0	-69.93	409.08	3.85	-66.08
C[N@@H+]1CCCCC1C(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029568227	0	56	0.0	-70.17	406.85	3.28	-66.89
C[N@H+]1CCCCC1C(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029568227	1	56	0.0	-61.45	403.76	3.10	-58.35
C[N@@H+]1CCC(=CC(=O)N2CCC3(CC2)OCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029568255	0	54	0.0	-74.10	411.50	3.64	-70.46
C[N@H+]1CCC(=CC(=O)N2CCC3(CC2)OCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029568255	1	54	0.0	-74.76	411.23	3.68	-71.08
CCC1C[NH+](CC(=O)N2CCC3(CC2)OCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029568279	0	56	0.0	-65.58	427.16	3.90	-61.68
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029568284	0	53	0.0	-65.89	396.66	2.91	-62.98
C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029568284	1	53	0.0	-64.95	393.01	2.60	-62.35
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3(CC2)OCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029568328	0	56	0.0	-63.62	423.40	3.80	-59.82
C[NH+](C)CCOCC(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029568346	0	56	0.0	-70.94	430.35	3.20	-67.74
O=C(C[NH+]1CCCCC1)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029568381	0	56	0.0	-69.32	416.27	3.89	-65.43
C[N@@H+]1CCCC(C(=O)N2CCC3(CC2)OCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029568382	0	56	0.0	-63.61	409.56	3.68	-59.93
C[N@H+]1CCCC(C(=O)N2CCC3(CC2)OCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029568382	1	56	0.0	-75.17	418.49	3.60	-71.57
CN1C=C[N+](CC(=O)N2CCC3(CC2)OCCC3NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029568383	0	51	0.0	-66.49	405.71	5.57	-60.92
C[N@H+](CC(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029568393	0	53	0.0	-66.43	403.76	3.47	-62.96
C[N@@H+](CC(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029568393	1	53	0.0	-67.38	403.95	3.43	-63.95
CC(CC(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029568401	0	58	0.0	-75.12	431.43	4.08	-71.04
C[NH+]1CC(CC(=O)N2CCC3(CC2)OCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029568452	0	53	0.0	-70.91	405.77	2.93	-67.98
C[NH+](C)CC(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029568459	0	49	0.0	-70.06	374.43	2.05	-68.01
C[N@H+](CCO)CCC(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029568469	0	56	0.0	-71.69	424.98	0.07	-71.62
C[N@@H+](CCO)CCC(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029568469	1	56	0.0	-71.85	424.96	0.05	-71.80
C[C@@H](C(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029568470	0	52	0.0	-63.44	391.10	2.47	-60.97
CC(C(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300029568484	0	56	0.0	-66.89	423.09	3.54	-63.35
CC1CC[N@@H+]1CC(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029568485	0	53	0.0	-63.87	405.68	3.15	-60.72
CC1CC[N@H+]1CC(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029568485	1	53	0.0	-66.32	400.25	2.87	-63.45
C[NH+](C)CC=CC(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029568487	0	53	0.0	-69.34	409.42	3.27	-66.07
CC1(C)C[NH+](CC(=O)N2CCC3(CC2)OCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029568491	1	56	0.0	-69.97	424.99	3.67	-66.30
CC[NH+](CC)CC(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029568508	0	55	0.0	-67.57	406.06	3.14	-64.43
O=C(C[NH+]1CCC1)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029568513	1	50	0.0	-64.75	384.60	2.47	-62.28
CC[NH+](CC)CCC(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029568533	0	58	0.0	-71.12	432.42	4.03	-67.09
CC(C(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300029568564	0	53	0.0	-66.59	402.82	2.94	-63.65
C[NH+](C)CC(C)(C)C(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029568568	0	58	0.0	-65.98	413.26	3.29	-62.69
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029568589	0	56	0.0	-61.46	403.86	3.10	-58.36
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029568589	1	56	0.0	-59.83	414.96	3.65	-56.18
C[NH+](C)CC(O)CC(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029568599	0	56	0.0	-76.30	427.18	1.09	-75.21
C=CCC(C(=O)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029568611	0	56	0.0	-67.64	418.27	3.59	-64.05
C[NH+](C)CC(=O)NC[C@]12C[C@@]1(C(F)(F)F)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029568803	0	45	0.0	-71.10	375.34	3.01	-68.09
C[C@@H](C(=O)NC[C@]12C[C@@]1(C(F)(F)F)CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029568811	0	48	0.0	-69.27	393.40	3.41	-65.86
C[C@@H](C(=O)NC[C@]12C[C@@]1(C(F)(F)F)CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029568826	0	48	0.0	-69.27	393.40	3.41	-65.86
C[C@H](C(=O)NC[C@]12C[C@@]1(C(F)(F)F)CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029568840	0	48	0.0	-69.31	393.32	3.41	-65.90
CC[N@H+](C)CC(=O)NC[C@]12C[C@@]1(C(F)(F)F)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029568853	0	48	0.0	-70.28	393.07	3.68	-66.60
CC[N@@H+](C)CC(=O)NC[C@]12C[C@@]1(C(F)(F)F)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029568853	1	48	0.0	-70.27	393.07	3.69	-66.58
C[C@@H](C(=O)N1C[C@@]2(CNC(=O)C3=CC(=O)[N-]O3)C[C@@]2(C(F)(F)F)C1)[NH+](C)C	REAL300029569095	0	48	0.0	-72.50	395.38	3.50	-69.00
CC[N@H+](C)CC(=O)N1C[C@@]2(CNC(=O)C3=CC(=O)[N-]O3)C[C@@]2(C(F)(F)F)C1	REAL300029569118	0	48	0.0	-73.83	396.48	3.79	-70.04
CC[N@@H+](C)CC(=O)N1C[C@@]2(CNC(=O)C3=CC(=O)[N-]O3)C[C@@]2(C(F)(F)F)C1	REAL300029569118	1	48	0.0	-73.85	396.42	3.80	-70.05
C[C@H](C(=O)N1C[C@@]2(CNC(=O)C3=CC(=O)[N-]O3)C[C@@]2(C(F)(F)F)C1)[NH+](C)C	REAL300029569136	0	48	0.0	-71.27	395.48	3.46	-67.81
C[NH+](C)CC(=O)N1C[C@@]2(CNC(=O)C3=CC(=O)[N-]O3)C[C@@]2(C(F)(F)F)C1	REAL300029569208	0	45	0.0	-74.45	379.06	3.16	-71.29
C[C@@H](C(=O)N1C[C@@]2(CNC(=O)C3=CC(=O)[N-]O3)C[C@@]2(C(F)(F)F)C1)[NH+](C)C	REAL300029569211	0	48	0.0	-72.50	395.38	3.50	-69.00
O=C(C[NH+]1CCC1)N1C[C@@]2(CNC(=O)C3=CC(=O)[N-]O3)C[C@@]2(C(F)(F)F)C1	REAL300029569218	1	46	0.0	-74.33	388.95	3.61	-70.72
C[N@@H+]1CCCC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029569403	0	49	0.0	-71.14	372.15	4.08	-67.06
C[N@H+]1CCCC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029569403	1	49	0.0	-71.81	372.83	4.16	-67.65
C[N@@H+]1CCOC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029569427	1	50	0.0	-83.58	377.22	3.41	-80.17
C[N@H+]1CCOC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029569427	1	50	0.0	-86.69	383.65	3.59	-83.10
CC(C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCCCCC1	REAL300029569598	0	58	0.0	-68.39	414.37	5.66	-62.73
CC(C)[N@@H+]1CCCCC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029569600	0	58	0.0	-68.68	421.56	5.78	-62.90
CC(C)[N@H+]1CCCCC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029569600	1	58	0.0	-69.16	421.36	5.78	-63.38
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029569621	0	55	0.0	-70.20	405.82	5.22	-64.98
CC(C)[N@H+]1CCCC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029569621	1	55	0.0	-67.89	404.27	5.20	-62.69
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1CC3CCCC[N@@H+]3C1)C2	REAL300029569638	0	56	0.0	-75.89	414.47	5.86	-70.03
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1CC3CCCC[N@H+]3C1)C2	REAL300029569638	1	56	0.0	-82.79	415.30	5.90	-76.89
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029569660	1	53	0.0	-71.30	417.33	6.11	-65.19
CC1=[NH+]C=CN1CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029569694	1	47	0.0	-69.32	378.40	4.88	-64.44
CC(C[NH+]1CCOCC1)C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029569696	0	56	0.0	-86.27	423.54	4.02	-82.25
O=C(CCC[NH+]1CCCCC1)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029569713	0	58	0.0	-78.91	437.18	6.66	-72.25
CC(C)(C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCCCC1	REAL300029569732	0	58	0.0	-72.16	412.43	5.65	-66.51
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1C[NH+]3CCC1CC3)C2	REAL300029569742	0	53	0.0	-82.27	387.43	4.84	-77.43
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1CCCC3CCC[N@@H+]31)C2	REAL300029569788	0	56	0.0	-70.51	403.43	5.46	-65.05
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1CCCC3CCC[N@H+]31)C2	REAL300029569788	1	56	0.0	-75.34	401.55	5.75	-69.59
C[C@@H]1[C@H](C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029569804	0	52	0.0	-83.09	387.21	4.40	-78.69
C[C@@H]1[C@H](C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029569804	1	52	0.0	-78.33	391.87	4.54	-73.79
CC[C@@H]1[C@@H](C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029569809	0	55	0.0	-79.41	404.26	4.86	-74.55
CC[C@@H]1[C@@H](C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029569809	1	55	0.0	-71.29	407.20	5.14	-66.15
CC[N@@H+]1CCOC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029569824	1	53	0.0	-86.69	402.90	4.28	-82.41
CC[N@H+]1CCOC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029569824	1	53	0.0	-72.72	394.92	4.08	-68.64
CC[NH+](CC)CC(F)C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029569870	0	54	0.0	-75.16	410.45	5.23	-69.93
CC1CCC(C)[NH+]1CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029569943	0	55	0.0	-72.89	408.81	5.38	-67.51
O=C(CCC[NH+]1CCCC1)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029569949	0	55	0.0	-72.49	418.25	5.79	-66.70
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300029569950	0	55	0.0	-71.22	429.76	6.56	-64.66
C#CC[NH+]1CCC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029569955	0	54	0.0	-84.53	420.60	6.11	-78.42
O=C(CC[NH+]1CCCCC1)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029569956	0	55	0.0	-73.14	414.02	5.80	-67.34
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029569959	0	55	0.0	-70.98	426.38	6.57	-64.41
CC[N@@H+]1CCCCC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029569963	0	55	0.0	-73.91	400.79	5.20	-68.71
CC[N@H+]1CCCCC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029569963	1	55	0.0	-71.14	397.58	5.08	-66.06
C[NH+](C)C(C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=CC=C1	REAL300029569966	1	55	0.0	-72.28	419.83	6.59	-65.69
CC(C)C[N@@H+]1CCC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029569983	0	58	0.0	-72.21	432.27	6.17	-66.04
CC(C)C[N@H+]1CCC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029569983	1	58	0.0	-71.70	430.99	6.13	-65.57
C[NH+](C)C1(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCC1	REAL300029569987	0	52	0.0	-79.98	376.25	4.17	-75.81
CC(C)[N@@H+]1CCCC1CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029569989	0	58	0.0	-69.27	423.20	5.54	-63.73
CC(C)[N@H+]1CCCC1CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029569989	1	58	0.0	-67.48	420.43	5.48	-62.00
CC(C)[C@@H](C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029570004	0	54	0.0	-72.45	392.81	5.03	-67.42
C[N@H+](CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300029570053	0	52	0.0	-73.46	397.77	5.35	-68.11
C[N@@H+](CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300029570053	1	52	0.0	-69.66	396.16	5.29	-64.37
CC(C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1C(C)CCC1C	REAL300029570117	0	58	0.0	-74.31	415.29	5.56	-68.75
CN(CCC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=[NH+]C=C1	REAL300029570173	0	54	0.0	-76.46	426.12	5.06	-71.40
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029570181	1	51	0.0	-71.79	395.52	5.10	-66.69
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029570181	1	51	0.0	-72.24	398.65	5.43	-66.81
C[N@@H+]1CCCC1CCC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029570187	0	55	0.0	-73.61	417.39	5.86	-67.75
C[N@H+]1CCCC1CCC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029570187	1	55	0.0	-76.56	413.29	5.42	-71.14
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C13CCC[NH+](CCC1)C3)C2	REAL300029570198	0	56	0.0	-71.97	397.67	4.99	-66.98
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1CCC3CCCC[N@@H+]31)C2	REAL300029570205	0	56	0.0	-71.43	416.06	6.13	-65.30
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1CCC3CCCC[N@H+]31)C2	REAL300029570205	1	56	0.0	-69.56	414.92	6.09	-63.47
O=C(CCCC[NH+]1CCCC1)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029570225	0	58	0.0	-79.95	443.01	6.74	-73.21
C[N@H+](CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC1=CC=CC=C1	REAL300029570227	1	55	0.0	-77.03	426.66	6.90	-70.13
C[N@@H+](CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC1=CC=CC=C1	REAL300029570227	1	55	0.0	-81.08	428.39	6.96	-74.12
C[NH+]1CCC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029570238	0	52	0.0	-83.65	395.92	4.95	-78.70
C[NH+](C)CC1=CC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=NO1	REAL300029570279	1	51	0.0	-63.50	406.18	4.60	-58.90
CC1=C(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=CC2=C[NH+]=CN21	REAL300029570280	0	50	0.0	-82.48	404.20	6.95	-75.53
C[N@@H+]1CCCCC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029570312	0	52	0.0	-70.54	390.75	4.91	-65.63
C[N@H+]1CCCCC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029570312	1	52	0.0	-72.12	390.16	4.87	-67.25
CC(C)C[N@@H+]1CCCC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029570335	0	58	0.0	-70.62	429.38	6.20	-64.42
CC(C)C[N@H+]1CCCC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029570335	1	58	0.0	-69.82	422.15	5.60	-64.22
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1=CN3C=[NH+]C=C3C=C1)C2	REAL300029570440	0	47	0.0	-75.27	380.19	6.53	-68.74
CC1=[NH+]C=CN1CCCC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029570449	1	53	0.0	-75.71	422.65	6.33	-69.38
C[NH+](C)CC1=CC=C(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=C1	REAL300029570454	0	55	0.0	-88.99	430.35	6.57	-82.42
O=C(CC[NH+]1CCOCC1)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029570455	1	53	0.0	-82.02	406.90	3.42	-78.60
CC1=C[NH+]=CN1CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029570486	1	47	0.0	-75.38	381.44	5.71	-69.67
O=C(CN1C=[NH+]C2=C1CCCC2)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029570492	1	54	0.0	-75.32	423.27	7.43	-67.89
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C13CCC[NH+]1CCC3)C2	REAL300029570528	0	53	0.0	-69.37	386.31	4.63	-64.74
C[NH+](C)C1CCCC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029570557	0	58	0.0	-69.35	418.80	5.77	-63.58
C[N@@H+]1CCC(CC(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029570560	0	52	0.0	-76.41	398.10	4.94	-71.47
C[N@H+]1CCC(CC(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029570560	1	52	0.0	-76.47	397.12	4.98	-71.49
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029570572	0	51	0.0	-87.21	404.60	3.08	-84.13
CCC(C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029570577	0	51	0.0	-71.55	376.13	4.14	-67.41
C[NH+](C)C1(CC(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCCC1	REAL300029570591	0	58	0.0	-82.71	415.54	5.87	-76.84
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1=CC3=C[NH+]=CN3C=C1)C2	REAL300029570635	1	47	0.0	-79.87	380.43	6.55	-73.32
C[NH+](C)CCCCC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029570693	0	54	0.0	-74.69	415.38	5.51	-69.18
CC(C)C(C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029570713	0	54	0.0	-74.61	394.57	4.93	-69.68
CCC[N@H+](C)CCC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029570715	0	54	0.0	-80.17	413.27	5.38	-74.79
CCC[N@@H+](C)CCC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029570715	1	54	0.0	-80.15	413.27	5.39	-74.76
CCC[N@H+](C)CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029570721	0	51	0.0	-76.07	390.91	4.79	-71.28
CCC[N@@H+](C)CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029570721	1	51	0.0	-75.98	390.90	4.79	-71.19
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C13CC[N@H+](C1)CCC3)C2	REAL300029570745	0	53	0.0	-59.41	375.57	3.86	-55.55
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C13CC[N@@H+](C1)CCC3)C2	REAL300029570745	1	53	0.0	-73.37	383.72	4.18	-69.19
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029570785	0	49	0.0	-74.16	370.08	3.90	-70.26
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029570785	1	49	0.0	-69.04	374.04	4.19	-64.85
CCCCCC[N@H+](C)CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029570845	0	60	0.0	-77.29	455.41	7.13	-70.16
CCCCCC[N@@H+](C)CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029570845	1	60	0.0	-77.20	455.40	7.13	-70.07
CC[NH+](CC)C(C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C(C)C	REAL300029570850	0	60	0.0	-69.19	419.87	6.03	-63.16
CC[NH+](CC)CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029570859	0	51	0.0	-74.41	383.27	4.42	-69.99
CCC[N@@H+]1CCCC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029570891	0	58	0.0	-74.18	434.35	6.27	-67.91
CCC[N@H+]1CCCC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029570891	1	58	0.0	-68.37	426.60	6.43	-61.94
CC(C)[N@@H+]1CCOC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029570908	1	56	0.0	-80.07	411.78	4.57	-75.50
CC(C)[N@H+]1CCOC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029570908	1	56	0.0	-80.17	418.76	4.77	-75.40
CC1CC[NH+](CC(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029570940	0	55	0.0	-76.88	414.26	5.85	-71.03
C[NH+]1CCC(OCC(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029570968	0	56	0.0	-86.56	431.63	5.55	-81.01
C[NH+](C)CC1(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029570982	0	52	0.0	-71.24	399.56	4.93	-66.31
CC1=[NH+]C=C2CCC(C(=O)N3CCCC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)CN21	REAL300029570983	1	54	0.0	-70.15	419.29	5.97	-64.18
CC(C)[NH+]1CCC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029571058	0	58	0.0	-74.08	427.43	6.01	-68.07
C[NH+]1CCC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029571079	0	52	0.0	-83.65	395.92	4.95	-78.70
CC(C)[C@H](C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029571097	0	54	0.0	-74.72	390.08	4.78	-69.94
CCC(C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](CC)CC	REAL300029571128	0	57	0.0	-65.66	412.57	5.53	-60.13
CC[N@H+](C)CCC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029571190	0	51	0.0	-79.31	391.77	4.64	-74.67
CC[N@@H+](C)CCC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029571190	1	51	0.0	-79.33	391.77	4.65	-74.68
CC1CCC[N@@H+]1CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029571246	0	52	0.0	-68.67	388.69	4.68	-63.99
CC1CCC[N@H+]1CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029571246	1	52	0.0	-69.10	396.04	4.98	-64.12
CC1CC[N@H+](CC(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029571248	0	52	0.0	-71.52	397.50	4.99	-66.53
CC1CC[N@@H+](CC(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029571248	1	52	0.0	-75.54	397.39	5.07	-70.47
CC1=[NH+]C=C2CC(C(=O)N3CCCC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)CCN21	REAL300029571250	1	54	0.0	-72.02	419.57	6.02	-66.00
CC1(C)CC[N@H+](CC(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029571253	0	55	0.0	-71.45	415.03	5.58	-65.87
CC1(C)CC[N@@H+](CC(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029571253	1	55	0.0	-71.65	415.58	5.57	-66.08
C[N@H+](CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC(C)(C)C	REAL300029571254	0	57	0.0	-76.17	419.50	5.74	-70.43
C[N@@H+](CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC(C)(C)C	REAL300029571254	1	57	0.0	-71.65	419.80	5.87	-65.78
CC[C@@H](C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029571263	0	51	0.0	-72.89	379.90	4.29	-68.60
C[NH+]1CCC(O)(CC(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029571442	0	56	0.0	-76.72	420.86	3.67	-73.05
C[NH+](C)CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029571454	0	45	0.0	-76.37	351.65	3.35	-73.02
O=C(C[NH+]1CCC(CO)CC1)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029571458	0	56	0.0	-77.33	425.11	2.54	-74.79
O=C(C[NH+]1CCCCCC1)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029571460	0	55	0.0	-71.09	401.15	5.34	-65.75
CN1C=C[N+](CC(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300029571464	0	47	0.0	-68.46	381.24	6.82	-61.64
C[N@@H+]1CCCC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029571471	0	52	0.0	-74.44	387.99	5.07	-69.37
C[N@H+]1CCCC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029571471	1	52	0.0	-73.80	394.30	4.88	-68.92
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1CCC[N@@H+]1C1CC1)C2	REAL300029571476	0	53	0.0	-71.84	405.51	5.65	-66.19
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1CCC[N@H+]1C1CC1)C2	REAL300029571476	1	53	0.0	-72.98	399.42	5.18	-67.80
CC(C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCC1	REAL300029571505	1	49	0.0	-76.20	368.77	4.02	-72.18
CCC(CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300029571511	0	57	0.0	-80.23	423.13	5.89	-74.34
C[NH+](C)CC(C)(C)C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029571518	0	54	0.0	-79.09	377.47	4.42	-74.67
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C13CC(C1)C[N@@H+]3C1CC1)C2	REAL300029571536	0	54	0.0	-67.72	397.79	5.80	-61.92
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C13CC(C1)C[N@H+]3C1CC1)C2	REAL300029571536	1	54	0.0	-74.10	403.27	6.37	-67.73
O=C(C[NH+]1CCC(O)CC1)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029571547	1	53	0.0	-81.60	404.51	1.89	-79.71
C[N@H+](CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029571548	0	49	0.0	-72.59	380.94	4.77	-67.82
C[N@@H+](CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029571548	1	49	0.0	-73.45	381.08	4.78	-68.67
CC(C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)N1CC[NH+](C)CC1	REAL300029571549	1	57	0.0	-73.86	425.99	3.25	-70.61
C[NH+]1CC(CC(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029571568	0	49	0.0	-78.66	382.97	4.25	-74.41
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1CC[N@@H+]1C1CCCC1)C2	REAL300029571572	0	56	0.0	-71.81	421.24	6.18	-65.63
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1CC[N@H+]1C1CCCC1)C2	REAL300029571572	1	56	0.0	-75.10	418.19	5.99	-69.11
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029571580	0	55	0.0	-72.17	389.08	4.36	-67.81
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029571580	1	55	0.0	-73.87	412.74	5.05	-68.82
C[C@@H](C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029571591	0	48	0.0	-74.47	368.50	3.77	-70.70
CCC1CCC[N@H+](CC(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029571633	0	58	0.0	-72.86	424.14	6.39	-66.47
CCC1CCC[N@@H+](CC(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029571633	1	58	0.0	-72.52	430.98	6.44	-66.08
C[NH+](C)CC1=CC=C(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)N1	REAL300029571641	0	53	0.0	-82.32	413.73	5.00	-77.32
[NH2+]=C1SC=CN1CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029571686	0	45	0.0	-71.94	378.74	3.55	-68.39
C[N@H+](CCO)CCC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029571696	0	52	0.0	-78.88	402.12	1.43	-77.45
C[N@@H+](CCO)CCC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029571696	1	52	0.0	-78.28	402.08	1.41	-76.87
C[C@@H](C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029571697	0	48	0.0	-74.47	368.50	3.77	-70.70
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029571701	0	52	0.0	-75.06	382.79	4.54	-70.52
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029571701	1	52	0.0	-71.48	390.95	4.87	-66.61
CC1CN2CC[N@@H+]1CC2C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029571710	0	55	0.0	-78.31	397.45	1.80	-76.51
CC1CN2CC[N@H+]1CC2C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029571710	1	55	0.0	-82.24	400.49	1.94	-80.30
O=C(CC1=CC2=C[NH+]=CN2C=C1)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029571756	0	50	0.0	-74.53	406.04	7.58	-66.95
C[N@H+](CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCSC1	REAL300029571781	0	53	0.0	-80.87	411.01	5.62	-75.25
C[N@@H+](CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCSC1	REAL300029571781	1	53	0.0	-77.37	409.34	5.53	-71.84
O=C(C[NH+]1CCC1)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029571782	1	46	0.0	-75.41	360.68	3.82	-71.59
C[NH+](C)CC1=CC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC=N1	REAL300029571812	1	54	0.0	-73.91	424.33	5.07	-68.84
C[N@@H+]1CCC(=CC(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029571814	0	50	0.0	-76.72	387.81	4.88	-71.84
C[N@H+]1CCC(=CC(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029571814	1	50	0.0	-57.90	389.04	4.91	-52.99
C[NH+](C)CCOCC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029571848	0	52	0.0	-76.79	407.55	4.50	-72.29
CCCCC[N@H+](C)CCC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029571854	0	60	0.0	-75.28	454.60	6.89	-68.39
CCCCC[N@@H+](C)CCC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029571854	1	60	0.0	-81.00	456.26	6.95	-74.05
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029571863	0	56	0.0	-75.51	426.37	5.19	-70.32
C=CCC(C)(C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029571870	0	55	0.0	-68.06	396.26	4.77	-63.29
C[S+](C)CCC(O)C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029571875	0	51	0.0	-86.38	411.26	2.77	-83.61
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029571902	0	53	0.0	-68.38	390.82	0.86	-67.52
CN1CC[N@H+](C)CC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029571914	0	57	0.0	-73.17	420.44	3.23	-69.94
CN1CC[N@@H+](C)CC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029571914	1	57	0.0	-73.17	420.44	3.23	-69.94
CC(C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[N@@H+]1CCCC(O)C1	REAL300029571915	0	56	0.0	-71.91	420.25	2.21	-69.70
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029571934	0	56	0.0	-72.54	407.79	3.61	-68.93
C[N@H+]1CCCC(O)(CC(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029571934	1	56	0.0	-72.54	407.79	3.61	-68.93
CC1CN(CC(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029571937	0	49	0.0	-75.45	381.68	4.44	-71.01
CC1C[NH+](CC(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029571937	1	49	0.0	-75.45	381.68	4.44	-71.01
CN(CCO)CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029571964	0	49	0.0	-77.12	379.75	0.80	-76.32
C[N@H+](CCO)CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029571964	1	49	0.0	-76.83	379.54	0.79	-76.04
C[N@@H+](CCO)CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029571964	1	49	0.0	-76.83	379.54	0.79	-76.04
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1C[N@@H+]3CCN1CCC3)C2	REAL300029571987	0	55	0.0	-85.30	393.17	2.71	-82.59
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1C[N@H+]3CCN1CCC3)C2	REAL300029571987	1	55	0.0	-85.30	393.17	2.71	-82.59
CC[N@@H+]1CCCC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029571993	0	55	0.0	-69.61	410.86	5.46	-64.15
CC[N@H+]1CCCC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029571993	1	55	0.0	-69.61	410.86	5.46	-64.15
CC(CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300029571995	0	54	0.0	-79.92	408.69	5.42	-74.50
CC[N@H+](C)CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572008	0	48	0.0	-75.72	369.40	4.04	-71.68
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C13CCC[N@@H+]1CCCC3)C2	REAL300029572036	0	56	0.0	-71.57	400.09	5.15	-66.42
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C13CCC[N@H+]1CCCC3)C2	REAL300029572036	1	56	0.0	-71.57	400.09	5.15	-66.42
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C13CCC[N@@H+]1CC=CC3)C2	REAL300029572043	0	54	0.0	-68.65	391.82	4.94	-63.71
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C13CCC[N@H+]1CC=CC3)C2	REAL300029572043	1	54	0.0	-68.65	391.82	4.94	-63.71
CC[N@H+](CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029572064	0	52	0.0	-75.16	392.98	5.26	-69.90
CC[NH+](CC)CCC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572082	0	54	0.0	-78.47	409.58	5.32	-73.15
CC1(C)CN(CC(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029572107	0	52	0.0	-75.68	400.76	4.92	-70.76
CC1(C)C[NH+](CC(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029572107	1	52	0.0	-75.68	400.76	4.92	-70.76
CC1(O)CC[N@H+](CC(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029572135	0	53	0.0	-76.74	407.77	1.75	-74.99
C[NH+](C)CC=CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572142	0	49	0.0	-61.66	386.60	4.58	-57.08
CC(OCC[NH+](C)C)C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572164	0	55	0.0	-68.95	422.41	4.89	-64.06
C[NH+](C)CCOCCC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572173	0	55	0.0	-79.32	428.45	4.21	-75.11
COCCN(C)CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572174	0	52	0.0	-76.45	401.79	3.20	-73.25
COCC[N@H+](C)CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572174	1	52	0.0	-77.52	402.01	3.20	-74.32
COCC[N@@H+](C)CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572174	1	52	0.0	-77.52	402.01	3.20	-74.32
C[NH+](C)C1(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCCC1	REAL300029572210	0	55	0.0	-70.20	388.70	4.56	-65.64
CC(CCC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029572213	0	54	0.0	-84.15	405.28	5.12	-79.03
CCN1CCC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572222	0	49	0.0	-73.86	371.78	3.88	-69.98
CC[N@@H+]1CCC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572222	1	49	0.0	-74.44	381.09	4.28	-70.16
CC[N@H+]1CCC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572222	1	49	0.0	-74.44	381.09	4.28	-70.16
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029572232	0	58	0.0	-71.09	420.61	6.20	-64.89
CC(C)[N@H+]1CCCC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029572232	1	58	0.0	-71.09	420.61	6.20	-64.89
O=C(C[N@H+]1CCCC1CO)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572245	0	53	0.0	-74.63	399.69	1.39	-73.24
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1CC3CCCC[N@@H+]3C1)C2	REAL300029572267	0	56	0.0	-82.79	415.30	5.90	-76.89
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1CC3CCCC[N@H+]3C1)C2	REAL300029572267	1	56	0.0	-82.79	415.30	5.90	-76.89
C[NH+]1CCC(C)(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029572273	0	55	0.0	-75.95	398.61	4.84	-71.11
C=CCC(C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029572303	0	52	0.0	-72.75	394.90	4.89	-67.86
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572316	0	55	0.0	-72.54	411.35	5.28	-67.26
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572316	1	55	0.0	-72.54	411.35	5.28	-67.26
C[NH+](C)CCCCCC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572320	0	57	0.0	-80.65	438.54	6.34	-74.31
CC1C[N@@H+]2CCN1C(C(=O)N1CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029572355	0	55	0.0	-86.35	400.53	1.99	-84.36
CCCC(C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029572356	0	54	0.0	-73.14	401.29	5.04	-68.10
C[NH+](C)C(C)(C)C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572360	0	51	0.0	-80.38	371.03	3.78	-76.60
C[N@@H+]1CCCCC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572402	0	52	0.0	-72.12	390.16	4.87	-67.25
C[N@H+]1CC=C(CC(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029572442	0	53	0.0	-71.83	410.79	5.72	-66.11
C[N@@H+]1CC=C(CC(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029572442	1	53	0.0	-71.83	410.79	5.72	-66.11
O=C(CC1([NH+]2CCCC2)CC1)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572451	0	56	0.0	-71.98	415.49	6.13	-65.85
CN(C)CC1=CC=C(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029572500	0	52	0.0	-56.94	412.33	5.13	-51.81
C[NH+](C)CC1=CC=C(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029572500	1	52	0.0	-56.94	412.33	5.13	-51.81
O=C(C=CC[NH+]1CCCC1)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572517	0	53	0.0	-60.84	412.94	5.78	-55.06
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1CC[NH+](C3CC3)CC1)C2	REAL300029572541	0	56	0.0	-80.75	420.76	6.15	-74.60
O=C(CC[NH+]1CCCC1)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572564	0	52	0.0	-78.86	400.02	5.15	-73.71
C[N@@H+]1CC2CC1(C(=O)N1CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029572612	0	50	0.0	-70.25	377.21	4.23	-66.02
O=C(C[N@@H+]1CC2CCC1C2)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572626	0	53	0.0	-68.80	394.16	5.23	-63.57
O=C(C[N@H+]1CC2CCC1C2)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572626	1	53	0.0	-68.80	394.16	5.23	-63.57
O=C(C=C1C[NH+]2CCC1CC2)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572667	0	54	0.0	-64.19	407.04	5.77	-58.42
O=C(CN1CC2C=CC1C2)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572677	0	51	0.0	-70.58	389.11	5.27	-65.31
O=C(C[N@@H+]1CC2C=CC1C2)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572677	1	51	0.0	-70.42	389.33	5.28	-65.14
O=C(C[N@H+]1CC2C=CC1C2)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572677	1	51	0.0	-70.42	389.33	5.28	-65.14
CC(C[NH+](C)C)C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572729	0	51	0.0	-80.20	389.94	4.52	-75.68
C[N@@H+]1CCCCC1CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572807	0	55	0.0	-68.11	401.82	5.41	-62.70
C[N@H+]1CCCCC1CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572807	1	55	0.0	-68.11	401.82	5.41	-62.70
CC1=C2C=C(C(=O)N3CCCC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C=CN2C=N1	REAL300029572823	0	50	0.0	-78.22	401.84	7.08	-71.14
CC1=C2C=C(C(=O)N3CCCC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C=CN2C=[NH+]1	REAL300029572823	1	50	0.0	-78.22	401.84	7.08	-71.14
CC1CCN1CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572827	0	49	0.0	-75.22	382.97	4.43	-70.79
CC1CC[N@@H+]1CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572827	1	49	0.0	-69.66	376.39	4.19	-65.47
CC1CC[N@H+]1CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572827	1	49	0.0	-69.66	376.39	4.19	-65.47
C[NH+](C)CC(O)CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572832	0	52	0.0	-77.14	402.61	2.38	-74.76
CC1C[N@H+](C)CC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029572860	1	53	0.0	-80.40	397.64	4.13	-76.27
CC1C[N@@H+](C)CC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029572860	1	53	0.0	-82.57	398.79	4.17	-78.40
O=C(CC[NH+]1CCC(O)CC1)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572869	0	56	0.0	-82.00	426.32	2.48	-79.52
CCC[N@@H+]1CCCCC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572871	0	58	0.0	-70.26	430.28	6.32	-63.94
CCC[N@H+]1CCCCC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572871	1	58	0.0	-71.71	419.06	5.84	-65.87
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029572950	0	52	0.0	-75.65	399.15	5.05	-70.60
CC(CC[NH+](C)C)C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572958	0	54	0.0	-80.54	411.56	5.12	-75.42
C[N@H+](CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[C@@H]1CCC[C@H]1O	REAL300029572979	0	56	0.0	-66.26	421.38	2.61	-63.65
C[N@@H+](CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[C@@H]1CCC[C@H]1O	REAL300029572979	1	56	0.0	-74.10	421.03	2.53	-71.57
C#CC[N@H+]1CCCCC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572988	1	54	0.0	-72.12	415.33	6.07	-66.05
C#CC[N@@H+]1CCCCC1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572988	1	54	0.0	-70.81	416.29	6.12	-64.69
C[NH+]1CCN(CC(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029572991	1	54	0.0	-76.04	410.63	2.86	-73.18
CC[NH+]1CCN(CC(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029573000	0	57	0.0	-72.89	426.64	3.49	-69.40
NC(=[NH2+])SCC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029573026	0	43	0.0	-80.92	359.60	0.41	-80.51
CC[N@@H+]1CCOCC1CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029573063	0	56	0.0	-79.04	415.36	3.70	-75.34
C[NH+](C)C1CCC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029573079	0	58	0.0	-69.19	419.12	5.81	-63.38
C[NH+](C)CCC1(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029573080	0	55	0.0	-73.62	423.71	5.75	-67.87
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029573082	0	58	0.0	-69.21	419.10	5.79	-63.42
C[N@@H+]1CC=CCC1CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029573083	0	53	0.0	-74.71	401.14	5.43	-69.28
C[N@H+]1CC=CCC1CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029573083	1	53	0.0	-74.71	401.14	5.43	-69.28
C[C@@H](OCC[NH+](C)C)C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029573106	0	55	0.0	-71.31	422.23	4.94	-66.37
C[NH+]1C2CCC1CC(C(=O)N1CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029573134	0	56	0.0	-67.57	396.57	5.07	-62.50
CC(C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCSCC1	REAL300029573244	1	53	0.0	-76.45	409.44	5.35	-71.10
CCC1C[NH+](CC(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029573246	1	52	0.0	-76.37	403.05	5.20	-71.17
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1([NH+]3CCCC3)CCC1)C2	REAL300029573248	0	56	0.0	-77.80	407.63	5.52	-72.28
C[N@H+]1CCC[C@H]1C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029573257	1	49	0.0	-74.57	368.51	3.84	-70.73
O=C(CC[N@@H+]1CCC(F)C1)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029573264	1	52	0.0	-81.18	405.89	5.21	-75.97
COC1C[N@@H+](C)C(C)(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029573272	1	56	0.0	-71.38	413.00	3.10	-68.28
O=C(CC[NH+]1CCCCCC1)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029573281	0	58	0.0	-81.03	425.71	6.06	-74.97
O=C(C[NH+]1CCCCC1)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029573283	0	52	0.0	-75.95	393.43	5.24	-70.71
CC1C(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029573293	0	52	0.0	-76.72	392.26	4.62	-72.10
CC1C(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029573293	1	52	0.0	-80.57	381.82	4.51	-76.06
C[N@@H+]1CCCCC1CCC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029573295	0	58	0.0	-79.00	425.24	6.14	-72.86
C[N@H+]1CCCCC1CCC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029573295	1	58	0.0	-82.19	425.23	6.12	-76.07
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1CC[N@@H+]3CCOCC13)C2	REAL300029573325	0	54	0.0	-78.15	405.44	3.44	-74.71
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1CC[N@H+]3CCOCC13)C2	REAL300029573325	1	54	0.0	-73.39	400.76	3.55	-69.84
CC1=[NH+]C=C2C=CC(C(=O)N3CCCC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)=CN21	REAL300029573330	0	50	0.0	-79.00	407.38	6.47	-72.53
CN1CCOCC1CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029573347	0	53	0.0	-84.33	401.81	3.20	-81.13
C[N@@H+]1CCOCC1CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029573347	1	53	0.0	-85.45	402.25	3.21	-82.24
C[N@H+]1CCOCC1CC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029573347	1	53	0.0	-84.33	401.81	3.20	-81.13
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)N1	REAL300029573355	1	53	0.0	-72.97	421.91	4.71	-68.26
C[N@H+]1CCCC1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029573527	1	49	0.0	-73.90	367.80	3.68	-70.22
CN1CCOC(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029573553	0	50	0.0	-83.65	384.24	3.56	-80.09
C[N@@H+]1CCOC(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029573553	1	50	0.0	-93.60	385.11	3.57	-90.03
C[N@H+]1CCOC(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029573553	1	50	0.0	-83.65	384.24	3.56	-80.09
CC1=[NH+]C=CN1CCCC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029573715	1	53	0.0	-57.17	421.07	6.14	-51.03
C[NH+](C)CC1=CC=C(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C=C1	REAL300029573720	0	55	0.0	-60.83	423.57	6.27	-54.56
O=C(CC[NH+]1CCOCC1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029573721	1	53	0.0	-52.81	405.36	3.25	-49.56
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1	REAL300029573746	0	53	0.0	-68.02	390.42	4.91	-63.11
O=C(C1=CC2=C[NH+]=CN2C=C1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029573756	1	47	0.0	-81.38	374.55	6.32	-75.06
C[NH+](C)C1CCCC(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029573816	0	58	0.0	-72.42	418.03	5.73	-66.69
C[N@@H+]1CCC(CC(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029573819	0	52	0.0	-78.60	395.63	4.92	-73.68
C[N@H+]1CCC(CC(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029573819	1	52	0.0	-78.05	394.94	4.82	-73.23
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029573831	0	51	0.0	-88.57	398.57	3.60	-84.97
CCC(C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029573836	0	51	0.0	-69.98	381.59	4.42	-65.56
C[NH+](C)CCCCC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029573903	0	54	0.0	-60.73	415.46	5.38	-55.35
CC(C)C(C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029573925	0	54	0.0	-74.77	397.41	5.00	-69.77
CCC[N@H+](C)CCC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029573927	0	54	0.0	-75.96	410.83	5.30	-70.66
CCC[N@@H+](C)CCC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029573927	1	54	0.0	-75.73	410.83	5.31	-70.42
CCC[N@H+](C)CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029573933	0	51	0.0	-71.90	388.46	4.74	-67.16
CCC[N@@H+](C)CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029573933	1	51	0.0	-72.00	388.29	4.63	-67.37
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C34CC[N@H+](C3)CCC4)C2)C1	REAL300029573957	0	53	0.0	-59.43	384.20	4.48	-54.95
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C34CC[N@@H+](C3)CCC4)C2)C1	REAL300029573957	1	53	0.0	-76.79	385.63	4.23	-72.56
CCCCCC[N@H+](C)CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029573993	0	60	0.0	-73.00	452.96	7.09	-65.91
CCCCCC[N@@H+](C)CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029573993	1	60	0.0	-49.54	453.82	6.99	-42.55
CC[NH+](CC)C(C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C(C)C	REAL300029573998	0	60	0.0	-64.31	423.79	5.95	-58.36
CC1CC[NH+](CC(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029574031	0	55	0.0	-72.03	411.57	5.74	-66.29
C[NH+]1CCC(OCC(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029574059	0	56	0.0	-68.64	430.02	5.37	-63.27
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3CC4CCCC[N@@H+]4C3)C2)C1	REAL300029574104	0	56	0.0	-73.23	415.18	5.84	-67.39
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3CC4CCCC[N@H+]4C3)C2)C1	REAL300029574104	1	56	0.0	-60.44	415.79	6.02	-54.42
C[NH+](C)CC1(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029574115	0	52	0.0	-62.82	399.20	4.97	-57.85
CC1=[NH+]C=C2CCC(C(=O)N3CC4(C3)CCCN(C(=O)C3=CC(=O)[N-]O3)C4)CN21	REAL300029574116	1	54	0.0	-59.22	416.21	5.91	-53.31
CC(C)[NH+]1CCC(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029574127	0	58	0.0	-75.82	425.49	5.96	-69.86
CC[N@H+](C)CCC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029574152	0	51	0.0	-75.30	389.33	4.55	-70.75
CC[N@@H+](C)CCC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029574152	1	51	0.0	-75.04	389.33	4.56	-70.48
CC(C)(C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCC1	REAL300029574178	0	58	0.0	-53.52	409.41	6.23	-47.29
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3C[NH+]4CCC3CC4)C2)C1	REAL300029574188	0	53	0.0	-85.19	387.46	4.86	-80.33
C[NH+]1CCC(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029574268	0	52	0.0	-78.31	391.18	4.77	-73.54
CC(C)[C@H](C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029574286	0	54	0.0	-73.93	390.50	4.89	-69.04
CC[NH+](CC)CC(F)C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029574381	0	54	0.0	-77.52	411.42	5.30	-72.22
CC(C)C[N@@H+]1CCC(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029574416	0	58	0.0	-62.32	432.79	6.28	-56.04
CC(C)C[N@H+]1CCC(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029574416	1	58	0.0	-56.40	435.50	6.16	-50.24
C[NH+](C)C1(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CCC1	REAL300029574420	0	52	0.0	-56.96	379.42	4.29	-52.67
CCC(C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](CC)CC	REAL300029574451	0	57	0.0	-64.96	412.82	5.53	-59.43
CC1CCC[N@@H+]1CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029574471	0	52	0.0	-58.76	387.53	4.57	-54.19
CC1CCC[N@H+]1CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029574471	1	52	0.0	-59.69	394.08	4.97	-54.72
CC(C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCCC1	REAL300029574541	0	58	0.0	-67.61	419.30	5.72	-61.89
CC(C)[N@@H+]1CCCCC1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029574543	0	58	0.0	-63.15	414.85	5.58	-57.57
CC(C)[N@H+]1CCCCC1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029574543	1	58	0.0	-67.57	413.53	5.61	-61.96
CC(C)[N@@H+]1CCCC1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029574564	0	55	0.0	-67.35	407.45	5.28	-62.07
CC(C)[N@H+]1CCCC1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029574564	1	55	0.0	-68.34	407.44	5.27	-63.07
CC(C)[N@@H+]1CCCC1CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029574570	0	58	0.0	-53.34	419.82	5.78	-47.56
CC(C)[N@H+]1CCCC1CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029574570	1	58	0.0	-71.47	428.87	5.88	-65.59
CC(C)[C@@H](C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029574585	0	54	0.0	-73.06	388.30	5.09	-67.97
CC1CC[N@H+](CC(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029574606	0	52	0.0	-70.47	395.22	4.85	-65.62
CC1CC[N@@H+](CC(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029574606	1	52	0.0	-61.28	394.50	4.98	-56.30
CC1=[NH+]C=C2CC(C(=O)N3CC4(C3)CCCN(C(=O)C3=CC(=O)[N-]O3)C4)CCN21	REAL300029574608	1	54	0.0	-71.72	415.92	5.89	-65.83
CC1(C)CC[N@H+](CC(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029574611	0	55	0.0	-50.78	415.79	5.60	-45.18
CC1(C)CC[N@@H+](CC(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029574611	1	55	0.0	-71.28	414.76	5.56	-65.72
C[N@H+](CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300029574612	0	57	0.0	-71.49	417.76	5.79	-65.70
C[N@@H+](CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300029574612	1	57	0.0	-46.98	420.42	5.78	-41.20
CC[C@@H](C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029574621	0	51	0.0	-61.59	377.72	4.24	-57.35
CN(CCC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=[NH+]C=C1	REAL300029574748	0	54	0.0	-63.66	424.82	4.90	-58.76
CC1=[NH+]C=CN1CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029574832	1	47	0.0	-70.18	377.47	4.79	-65.39
CC(C[NH+]1CCOCC1)C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029574834	0	56	0.0	-76.22	417.91	3.82	-72.40
O=C(CCC[NH+]1CCCCC1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029574851	0	58	0.0	-55.54	435.60	6.47	-49.07
C[NH+](C)CC1=CC(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=NO1	REAL300029574869	1	51	0.0	-82.08	405.19	4.21	-77.87
CC1=C(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C=CC2=C[NH+]=CN21	REAL300029574870	0	50	0.0	-73.00	401.40	6.93	-66.07
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029574905	1	53	0.0	-49.82	415.73	5.95	-43.87
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3CCCC4CCC[N@@H+]43)C2)C1	REAL300029574941	0	56	0.0	-65.39	411.12	5.83	-59.56
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3CCCC4CCC[N@H+]43)C2)C1	REAL300029574941	1	56	0.0	-56.52	410.82	5.82	-50.70
CC[N@@H+]1CCOC(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029574963	1	53	0.0	-70.26	403.20	4.34	-65.92
CC[N@H+]1CCOC(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029574963	1	53	0.0	-81.48	401.98	4.22	-77.26
O=C(C1=CN2C=[NH+]C=C2C=C1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029575016	0	47	0.0	-75.87	374.51	6.35	-69.52
CC1=C[NH+]=CN1CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029575021	1	47	0.0	-71.01	377.77	5.52	-65.49
C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029575037	0	52	0.0	-48.87	384.11	4.46	-44.41
C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029575037	1	52	0.0	-72.89	390.91	5.02	-67.87
CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029575042	0	55	0.0	-67.26	400.96	4.72	-62.54
CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029575042	1	55	0.0	-41.53	399.72	5.62	-35.91
CC1CCC(C)[NH+]1CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029575055	0	55	0.0	-47.29	407.26	5.24	-42.05
O=C(CCC[NH+]1CCCC1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029575061	0	55	0.0	-56.12	419.92	5.77	-50.35
C[NH+](C)CC1=CC=CC(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029575062	0	55	0.0	-89.87	422.90	6.35	-83.52
C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029575068	0	54	0.0	-79.48	415.84	5.92	-73.56
O=C(CC[NH+]1CCCCC1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029575069	0	55	0.0	-51.18	414.10	5.67	-45.51
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029575073	0	55	0.0	-59.70	415.70	6.68	-53.02
CC[N@@H+]1CCCCC1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029575077	0	55	0.0	-69.05	408.18	5.54	-63.51
CC[N@H+]1CCCCC1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029575077	1	55	0.0	-68.95	408.64	5.57	-63.38
C[NH+](C)C(C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300029575080	1	55	0.0	-42.12	422.95	6.86	-35.26
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029575085	1	54	0.0	-69.74	420.70	7.27	-62.47
C[NH+](C)C1(CC(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300029575121	0	58	0.0	-77.49	414.04	5.67	-71.82
C[N@H+](CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300029575286	0	52	0.0	-69.23	395.33	5.32	-63.91
C[N@@H+](CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300029575286	1	52	0.0	-47.06	396.33	5.22	-41.84
CC(C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1C(C)CCC1C	REAL300029575311	0	58	0.0	-46.87	413.56	5.58	-41.29
O=C(CCCC[NH+]1CCCC1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029575324	0	58	0.0	-58.79	441.43	6.55	-52.24
C[N@H+](CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300029575326	1	55	0.0	-76.51	425.73	6.80	-69.71
C[N@@H+](CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300029575326	1	55	0.0	-50.35	426.81	6.83	-43.52
C[NH+]1CCC(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029575337	0	52	0.0	-78.31	391.18	4.77	-73.54
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029575382	0	49	0.0	-57.91	368.05	3.70	-54.21
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029575382	1	49	0.0	-64.71	376.21	4.39	-60.32
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029575406	1	51	0.0	-61.23	394.74	5.03	-56.20
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029575406	1	51	0.0	-68.36	400.04	5.54	-62.82
C[N@@H+]1CCCC1CCC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029575412	0	55	0.0	-75.00	417.56	5.74	-69.26
C[N@H+]1CCCC1CCC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029575412	1	55	0.0	-73.82	411.75	5.26	-68.56
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1	REAL300029575423	0	56	0.0	-73.95	400.27	4.97	-68.98
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3CCC4CCCC[N@@H+]43)C2)C1	REAL300029575430	0	56	0.0	-50.22	414.97	6.17	-44.05
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3CCC4CCCC[N@H+]43)C2)C1	REAL300029575430	1	56	0.0	-69.87	409.51	5.78	-64.09
CCC[N@@H+]1CCCC(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029575503	0	58	0.0	-57.79	423.67	6.17	-51.62
CCC[N@H+]1CCCC(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029575503	1	58	0.0	-73.18	428.22	6.01	-67.17
CC(C)[N@@H+]1CCOC(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029575520	0	56	0.0	-88.44	419.61	4.74	-83.70
CC(C)[N@H+]1CCOC(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029575520	1	56	0.0	-54.60	411.37	4.51	-50.09
C[N@@H+]1CCCCC1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029575551	0	52	0.0	-61.13	378.95	4.40	-56.73
C[N@H+]1CCCCC1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029575551	1	52	0.0	-46.98	380.31	4.40	-42.58
CC(C)C[N@@H+]1CCCC1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029575575	0	58	0.0	-67.02	434.33	6.35	-60.67
CC(C)C[N@H+]1CCCC1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029575575	1	58	0.0	-58.58	430.97	6.30	-52.28
O=C(C[NH+]1CCC(CO)CC1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029575590	0	56	0.0	-72.81	422.40	2.43	-70.38
CC1C(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029575636	0	52	0.0	-74.28	391.32	4.54	-69.74
CC1C(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029575636	1	52	0.0	-70.69	388.26	4.41	-66.28
C[N@@H+]1CCCCC1CCC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029575638	0	58	0.0	-73.18	424.67	6.09	-67.09
C[N@H+]1CCCCC1CCC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029575638	1	58	0.0	-68.10	423.12	6.06	-62.04
NC1=[NH+]C2=C(C=C1C(=O)N1CC3(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C3)CCC2	REAL300029575670	1	52	0.0	-64.24	401.91	4.03	-60.21
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029575734	0	55	0.0	-45.10	391.24	4.26	-40.84
CC(C)(C)[N@H+]1CCC1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029575734	1	55	0.0	-69.05	411.70	5.04	-64.01
C[C@@H](C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029575753	0	48	0.0	-64.40	366.42	3.63	-60.77
C[NH+](C)CC1=CC(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=CC=N1	REAL300029575767	1	54	0.0	-73.30	418.86	4.52	-68.78
C=CCC(C)(C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029575771	0	55	0.0	-74.97	388.23	5.17	-69.80
O=C(CC[NH+]1CCCC1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029575796	0	52	0.0	-74.52	397.57	5.07	-69.45
C[N@H+](CCO)CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029575806	1	49	0.0	-47.59	378.18	0.67	-46.92
C[N@@H+](CCO)CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029575806	1	49	0.0	-72.14	377.35	0.76	-71.38
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3C[N@@H+]4CCN3CCC4)C2)C1	REAL300029575844	0	55	0.0	-93.26	395.52	2.86	-90.40
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3C[N@H+]4CCN3CCC4)C2)C1	REAL300029575844	1	55	0.0	-76.51	397.12	2.49	-74.02
CC(C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCSCC1	REAL300029575866	1	53	0.0	-71.94	408.06	5.33	-66.61
C[N@H+]1CC=C(CC(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029575906	0	53	0.0	-70.66	409.31	5.58	-65.08
C[N@@H+]1CC=C(CC(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029575906	1	53	0.0	-67.93	409.32	5.57	-62.36
C[S+](C)CCC(O)C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029575921	0	51	0.0	-84.80	409.73	2.82	-81.98
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029575940	0	53	0.0	-86.43	391.19	1.08	-85.35
C[N@H+]1CC(O)CC1(C)C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029575940	1	53	0.0	-84.71	394.70	1.19	-83.52
CN1CC[N@H+](C)CC(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029575953	0	57	0.0	-63.17	418.12	3.09	-60.08
CN1CC[N@@H+](C)CC(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029575953	1	57	0.0	-65.35	419.55	2.88	-62.47
CC(C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[N@@H+]1CCCC(O)C1	REAL300029575954	0	56	0.0	-71.99	417.75	2.45	-69.54
CC(C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[N@H+]1CCCC(O)C1	REAL300029575954	1	56	0.0	-69.80	419.57	2.19	-67.61
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029575981	0	52	0.0	-77.75	409.24	4.19	-73.56
C[N@@H+]1CCCC(O)(CC(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029575987	0	56	0.0	-64.27	416.61	3.78	-60.49
C[N@H+]1CCCC(O)(CC(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029575987	1	56	0.0	-74.33	407.13	3.64	-70.69
CC1C[NH+](CC(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029575992	1	49	0.0	-68.29	381.48	4.31	-63.98
CC[N@@H+]1CCCC(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029575999	0	55	0.0	-69.50	410.65	5.44	-64.06
CC[N@H+]1CCCC(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029575999	1	55	0.0	-72.67	406.73	5.27	-67.40
NC1=[NH+]C=CC=C1CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576005	0	48	0.0	-57.41	384.33	3.05	-54.36
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3CCC[N@@H+]3C3CC3)C2)C1	REAL300029576018	0	53	0.0	-76.03	402.16	5.17	-70.86
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3CCC[N@H+]3C3CC3)C2)C1	REAL300029576018	1	53	0.0	-67.68	400.77	5.63	-62.05
O=C(C=CC[NH+]1CCCC1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576061	0	53	0.0	-78.60	411.30	5.74	-72.86
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3CC[NH+](C4CC4)CC3)C2)C1	REAL300029576084	0	56	0.0	-60.28	416.87	5.87	-54.41
CC[N@H+](C)CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576131	0	48	0.0	-71.84	366.80	3.89	-67.95
O=C(CN1CC2C=CC1C2)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576191	0	51	0.0	-50.62	390.00	5.32	-45.30
O=C(C[N@@H+]1CC2C=CC1C2)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576191	1	51	0.0	-67.51	388.04	5.08	-62.43
O=C(C[N@H+]1CC2C=CC1C2)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576191	1	51	0.0	-67.51	388.04	5.08	-62.43
CC1=CC=C(NCCC(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)N=C1	REAL300029576213	0	54	0.0	-53.52	428.96	4.64	-48.88
CC1=CC=C(NCCC(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)[NH+]=C1	REAL300029576213	1	54	0.0	-53.52	428.96	4.64	-48.88
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C34CCC[N@@H+]3CCCC4)C2)C1	REAL300029576319	0	56	0.0	-67.18	396.55	5.23	-61.95
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C34CCC[N@H+]3CCCC4)C2)C1	REAL300029576319	1	56	0.0	-67.18	396.55	5.23	-61.95
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C34CCC[N@@H+]3CC=CC4)C2)C1	REAL300029576328	0	54	0.0	-65.26	392.36	5.07	-60.19
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C34CCC[N@H+]3CC=CC4)C2)C1	REAL300029576328	1	54	0.0	-65.26	392.36	5.07	-60.19
CC(OCC[NH+](C)C)C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576339	0	55	0.0	-69.69	420.25	4.95	-64.74
C[NH+](C)CCOCCC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576349	0	55	0.0	-55.30	426.86	4.04	-51.26
COCCN(C)CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576351	0	52	0.0	-71.56	399.58	3.17	-68.39
COCC[N@H+](C)CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576351	1	52	0.0	-47.04	400.43	3.07	-43.97
COCC[N@@H+](C)CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576351	1	52	0.0	-47.04	400.43	3.07	-43.97
CC(CCC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029576357	0	54	0.0	-57.64	406.75	4.97	-52.67
CC[N@H+](CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029576384	0	52	0.0	-68.74	395.56	5.34	-63.40
CC1C[N@@H+]2CCN1C(C(=O)N1CC3(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029576400	0	55	0.0	-85.80	399.35	2.19	-83.61
C[N@@H+]1CC2CC1(C(=O)N1CC3(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029576425	0	50	0.0	-83.20	378.19	4.62	-78.58
CC1=NC(N)=CC=C1C=CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576435	0	52	0.0	-57.73	414.81	3.87	-53.86
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576435	1	52	0.0	-57.73	414.81	3.87	-53.86
O=C(C[N@@H+]1CC2CCC1C2)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576442	0	53	0.0	-66.07	394.89	5.17	-60.90
O=C(C[N@H+]1CC2CCC1C2)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576442	1	53	0.0	-66.07	394.89	5.17	-60.90
CC(C[NH+](C)C)C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576464	0	51	0.0	-75.91	384.94	4.36	-71.55
CCN1CCC1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576516	0	49	0.0	-72.59	380.70	4.18	-68.41
CC[N@@H+]1CCC1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576516	1	49	0.0	-70.49	372.85	3.94	-66.55
CC[N@H+]1CCC1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576516	1	49	0.0	-70.49	372.85	3.94	-66.55
CC(C)[N@@H+]1CCCC(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029576529	0	58	0.0	-64.32	421.07	6.14	-58.18
CC(C)[N@H+]1CCCC(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029576529	1	58	0.0	-64.32	421.07	6.14	-58.18
CCC(C)(C)[NH2+]C(C)C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576544	0	57	0.0	-67.94	411.07	3.60	-64.34
C#CCN1CCCCC1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576588	0	54	0.0	-56.37	415.69	5.95	-50.42
C#CC[N@H+]1CCCCC1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576588	1	54	0.0	-68.25	403.51	5.68	-62.57
C#CC[N@@H+]1CCCCC1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576588	1	54	0.0	-68.25	403.51	5.68	-62.57
CNC1=NC(C)=CC=C1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576589	0	51	0.0	-45.27	399.00	3.85	-41.42
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576589	1	51	0.0	-45.27	399.00	3.85	-41.42
CCCC(C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029576599	0	54	0.0	-69.68	402.72	5.18	-64.50
C[NH+](C)C(C)(C)C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576606	0	51	0.0	-48.40	363.25	3.87	-44.53
CC(CC[NH+](C)C)C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576625	0	54	0.0	-76.39	406.63	5.00	-71.39
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)C2)C1	REAL300029576696	0	54	0.0	-74.79	401.24	5.65	-69.14
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576735	0	55	0.0	-69.03	414.87	5.33	-63.70
C[N@H+]1CC(C)(C)CC1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576735	1	55	0.0	-69.03	414.87	5.33	-63.70
C[NH+](C)CCCCCC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576740	0	57	0.0	-64.24	436.96	6.16	-58.08
O=C(CC[NH+]1CCC(O)CC1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576744	0	56	0.0	-72.89	425.83	2.45	-70.44
CCC[N@@H+]1CCCCC1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576748	0	58	0.0	-65.68	430.24	6.26	-59.42
CCC[N@H+]1CCCCC1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576748	1	58	0.0	-65.68	430.24	6.26	-59.42
CN1CCN(CC(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029576758	0	54	0.0	-56.27	409.11	2.72	-53.55
C[NH+]1CCN(CC(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029576758	1	54	0.0	-56.27	409.11	2.72	-53.55
CC1C[N@H+](C)CC(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029576860	1	53	0.0	-71.93	399.12	4.11	-67.82
CC1C[N@@H+](C)CC(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029576860	1	53	0.0	-71.56	399.47	4.27	-67.29
CCC1CCC[N@H+](CC(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029576893	0	58	0.0	-69.34	422.59	5.87	-63.47
CCC1CCC[N@@H+](CC(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029576893	1	58	0.0	-67.95	424.69	6.43	-61.52
C[NH+](C)CC1=CC=C(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300029576902	0	53	0.0	-93.37	413.11	4.76	-88.61
O=C(C[NH+]1CC2CC2C1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576917	0	50	0.0	-49.73	385.56	5.11	-44.62
O=C(CC1([NH+]2CCCC2)CC1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576930	0	56	0.0	-50.58	415.31	5.97	-44.61
C[N@@H+]1CCCCC1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576969	0	52	0.0	-61.13	378.95	4.40	-56.73
C[N@H+]1CCCCC1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576969	1	52	0.0	-46.98	380.31	4.40	-42.58
C[N@@H+]1CCC(=CC(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029577092	0	50	0.0	-57.89	388.70	4.75	-53.14
C[N@H+]1CCC(=CC(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029577092	1	50	0.0	-69.14	387.59	4.73	-64.41
O=C(CNC1=CC=[NH+]C=C1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029577097	0	48	0.0	-56.69	385.81	2.50	-54.19
CC[NH+]1CCN(CC(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029577154	0	57	0.0	-73.70	427.01	3.49	-70.21
O=C(C=C1C[NH+]2CCC1CC2)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029577157	0	54	0.0	-69.14	405.38	5.73	-63.41
C[NH+](C)C1(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300029577195	0	55	0.0	-38.57	370.66	4.84	-33.73
C[N@H+](CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300029577206	0	56	0.0	-60.61	421.22	2.78	-57.83
C[N@@H+](CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300029577206	1	56	0.0	-64.41	421.73	2.58	-61.83
CCC1C[NH+](CC(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029577212	1	52	0.0	-68.64	402.62	5.05	-63.59
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3([NH+]4CCCC4)CCC3)C2)C1	REAL300029577216	0	56	0.0	-58.78	403.27	5.69	-53.09
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029577230	0	49	0.0	-68.75	372.25	4.12	-64.63
C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029577230	1	49	0.0	-61.75	366.37	3.91	-57.84
CC[N@@H+]1CCOCC1CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029577261	0	56	0.0	-63.09	412.38	3.54	-59.55
NC1=NC2=CC(C(=O)N3CC4(C3)CCCN(C(=O)C3=CC(=O)[N-]O3)C4)=CC=C2N1	REAL300029577351	0	49	0.0	-77.57	388.49	4.04	-73.53
NC1=[NH+]C2=CC(C(=O)N3CC4(C3)CCCN(C(=O)C3=CC(=O)[N-]O3)C4)=CC=C2N1	REAL300029577351	1	49	0.0	-77.57	388.49	4.04	-73.53
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029577389	0	52	0.0	-41.70	391.16	5.12	-36.58
C[NH+](C)C1CCC(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029577404	0	58	0.0	-64.80	418.88	5.79	-59.01
C[NH+](C)CCC1(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029577405	0	55	0.0	-68.61	423.10	5.78	-62.83
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029577407	0	58	0.0	-57.87	418.42	5.63	-52.24
C[N@@H+]1CC=CCC1CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029577408	0	53	0.0	-67.85	395.34	5.22	-62.63
C[N@H+]1CC=CCC1CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029577408	1	53	0.0	-67.85	395.34	5.22	-62.63
CC1=CC(C=CC(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=CN=C1N	REAL300029577458	0	52	0.0	-56.72	415.01	4.17	-52.55
CC1=CC(C=CC(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=C[NH+]=C1N	REAL300029577458	1	52	0.0	-56.72	415.01	4.17	-52.55
C[NH+](C)CCOCC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029577471	0	52	0.0	-62.06	405.91	4.35	-57.71
CCCCC[N@H+](C)CCC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029577477	0	60	0.0	-76.59	453.83	6.87	-69.72
CCCCC[N@@H+](C)CCC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029577477	1	60	0.0	-76.59	453.83	6.87	-69.72
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029577489	0	56	0.0	-76.81	425.76	5.44	-71.37
[NH2+]=C1SC=CN1CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029577514	0	45	0.0	-69.63	376.15	3.38	-66.25
C[C@@H](OCC[NH+](C)C)C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029577588	0	55	0.0	-75.40	421.25	4.83	-70.57
O=C(CC[NH+]1CCCCCC1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029577632	0	58	0.0	-50.78	424.09	5.86	-44.92
O=C(C[NH+]1CCCCC1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029577636	0	52	0.0	-71.37	390.97	5.21	-66.16
C[N@@H+]1CCCC(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029577638	0	52	0.0	-72.50	394.10	4.82	-67.68
C[N@H+]1CCCC(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029577638	1	52	0.0	-55.03	385.03	4.61	-50.42
O=C(C[NH+]1CCC(CO)CC1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029577639	0	56	0.0	-72.81	422.40	2.43	-70.38
O=C(C[NH+]1CCCCCC1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029577642	0	55	0.0	-70.26	400.21	5.38	-64.88
CN1C=C[N+](CC(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029577647	0	47	0.0	-47.33	381.33	6.74	-40.59
C[NH+](C)CC1=CC=C(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029577665	1	52	0.0	-91.22	411.59	4.88	-86.34
C[NH+](C)CC1=CC=C(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C=N1	REAL300029577671	0	54	0.0	-83.53	418.58	4.48	-79.05
O=C(C[NH+]1CCC(O)CC1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029577685	1	53	0.0	-75.76	402.05	1.86	-73.90
C[N@@H+](CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029577690	1	49	0.0	-69.61	378.65	4.74	-64.87
CC(C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)N1CC[NH+](C)CC1	REAL300029577692	1	57	0.0	-70.42	416.82	2.81	-67.61
O=C(CC[N@@H+]1CCC(F)C1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029577695	1	52	0.0	-75.72	403.42	5.01	-70.71
COC1C[N@@H+](C)C(C)(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029577706	1	56	0.0	-78.18	407.79	3.31	-74.87
CC(CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300029577726	0	54	0.0	-59.36	407.29	5.24	-54.12
O=C(C1CC[N@@H+]2CCOCC12)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029577742	0	54	0.0	-63.04	403.67	3.54	-59.50
O=C(C1CC[N@H+]2CCOCC12)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029577742	1	54	0.0	-76.12	406.55	3.42	-72.70
CC1=[NH+]C=C2C=CC(C(=O)N3CC4(C3)CCCN(C(=O)C3=CC(=O)[N-]O3)C4)=CN21	REAL300029577747	0	50	0.0	-72.27	395.95	6.15	-66.12
CN1CCOCC1CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029577764	0	53	0.0	-80.18	399.38	3.01	-77.17
C[N@@H+]1CCOCC1CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029577764	1	53	0.0	-68.58	393.87	3.02	-65.56
C[N@H+]1CCOCC1CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029577764	1	53	0.0	-80.18	399.38	3.01	-77.17
CC[NH+]1CCN(CC(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029577772	0	57	0.0	-73.70	427.01	3.49	-70.21
CC1=CC(N)=[NH+]C=C1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029577827	1	48	0.0	-82.63	377.54	2.49	-80.14
NC1=CC=C(CCC(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C=[NH+]1	REAL300029577830	0	51	0.0	-73.13	408.25	3.84	-69.29
CC1(O)CC[N@H+](CC(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029577871	0	53	0.0	-72.98	405.33	1.58	-71.40
CC1(O)CC[N@@H+](CC(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029577871	1	53	0.0	-64.16	406.59	1.76	-62.40
C[NH+]1CC(CC(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029577906	0	49	0.0	-50.88	381.39	4.06	-46.82
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3CC[N@@H+]3C3CCCC3)C2)C1	REAL300029577911	0	56	0.0	-70.04	405.18	6.61	-63.43
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3CC[N@H+]3C3CCCC3)C2)C1	REAL300029577911	1	56	0.0	-70.21	412.46	5.59	-64.62
C[NH+](C)CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029577919	0	45	0.0	-50.28	350.10	3.23	-47.05
C[N@H+](CCO)CCC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029577948	0	52	0.0	-70.23	401.18	1.38	-68.85
C[N@@H+](CCO)CCC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029577948	1	52	0.0	-74.87	399.63	1.33	-73.54
C[C@@H](C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029577949	0	48	0.0	-64.40	366.42	3.63	-60.77
C[N@@H+]1CCCCC1CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029577971	0	55	0.0	-60.12	400.60	5.23	-54.89
C[N@H+]1CCCCC1CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029577971	1	55	0.0	-74.37	409.17	5.44	-68.93
CC1=C2C=C(C(=O)N3CC4(C3)CCCN(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300029577993	1	50	0.0	-79.38	396.46	6.88	-72.50
CC(C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CC(C)C1	REAL300029577994	0	52	0.0	-66.16	400.01	4.89	-61.27
CC1CC[N@@H+]1CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029577998	1	49	0.0	-60.57	374.91	4.13	-56.44
CC1CC[N@H+]1CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029577998	1	49	0.0	-61.09	374.94	4.14	-56.95
C[NH+](C)CC=CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029578012	0	49	0.0	-80.14	386.22	4.57	-75.57
CC1(C)C[NH+](CC(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029578025	1	52	0.0	-49.62	400.47	4.80	-44.82
CC1=C(C)[NH+]=C(CCC(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300029578044	1	53	0.0	-48.05	420.33	4.52	-43.53
CC1=C2C=C(C(=O)N3CC4(C3)CCCN(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300029578055	1	50	0.0	-79.38	396.46	6.88	-72.50
C[NH+](C)CCSCC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029578065	0	52	0.0	-63.94	416.99	5.18	-58.76
O=C(C[N@H+]1CCCC1CO)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029578091	0	53	0.0	-50.98	400.10	1.44	-49.54
O=C(C[N@@H+]1CCCC1CO)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029578091	1	53	0.0	-61.08	402.36	1.91	-59.17
CC[NH+](CC)CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029578095	0	51	0.0	-50.28	385.79	4.55	-45.73
C[N@H+](CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300029578106	0	53	0.0	-59.98	409.59	5.46	-54.52
C[N@@H+](CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300029578106	1	53	0.0	-50.40	409.37	5.47	-44.93
O=C(C[NH+]1CCC1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029578108	1	46	0.0	-68.33	360.48	3.69	-64.64
CC[NH+](CC)CCC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029578159	0	54	0.0	-50.35	407.61	5.15	-45.20
C[NH+](C)CC1=CNC(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029578226	0	53	0.0	-65.41	412.18	4.53	-60.88
CC(C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC(O)CC1	REAL300029578245	0	56	0.0	-50.94	412.19	1.81	-49.13
O=C(C1CC2COCC[N@@H+]2C1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029578251	0	54	0.0	-71.33	408.26	3.67	-67.66
O=C(C1CC2COCC[N@H+]2C1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029578251	1	54	0.0	-75.76	406.57	3.52	-72.24
CC(C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300029578266	1	49	0.0	-74.86	372.37	4.11	-70.75
CCC(CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300029578273	0	57	0.0	-46.79	424.77	5.85	-40.94
NC1=CC=C(C=CC(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C=[NH+]1	REAL300029578280	0	49	0.0	-57.89	397.21	3.42	-54.47
C[NH+](C)CC(C)(C)C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029578281	0	54	0.0	-51.76	387.82	4.87	-46.89
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029578345	0	52	0.0	-71.25	379.73	4.52	-66.73
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029578345	1	52	0.0	-70.88	390.84	4.85	-66.03
CC1CN2CC[N@@H+]1CC2C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029578360	0	55	0.0	-70.52	393.60	2.81	-67.71
CC1CN2CC[N@H+]1CC2C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029578360	1	55	0.0	-70.38	400.85	2.09	-68.29
C[NH+](C)CC(O)CC(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029578381	0	52	0.0	-57.91	402.68	2.30	-55.61
C[NH+]1C2CCC1CC(C(=O)N1CC3(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029578384	0	56	0.0	-73.89	406.64	5.33	-68.56
C=CCC(C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029578417	0	52	0.0	-69.55	394.55	4.90	-64.65
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3CC4CCCC[N@@H+]4C3)C2)C1	REAL300029578427	0	56	0.0	-73.23	415.18	5.84	-67.39
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3CC4CCCC[N@H+]4C3)C2)C1	REAL300029578427	1	56	0.0	-60.44	415.79	6.02	-54.42
C[NH+]1CCC(C)(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029578438	0	55	0.0	-68.61	401.43	4.92	-63.69
C[NH+]1CCC(O)(CC(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029578440	0	56	0.0	-63.63	420.60	3.56	-60.07
CC1=C2C=C(C(=O)N3CCCC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C=CN2C=[NH+]1	REAL300029578522	1	50	0.0	-78.22	401.84	7.08	-71.14
C[NH+](C)CCSCC(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029578531	0	52	0.0	-85.37	418.58	5.39	-79.98
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1CC3COCC[N@@H+]3C1)C2	REAL300029578539	0	54	0.0	-73.49	406.16	3.58	-69.91
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1CC3COCC[N@H+]3C1)C2	REAL300029578539	1	54	0.0	-79.88	406.84	3.52	-76.36
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC[N@@H+]1C	REAL300029578698	0	48	0.0	-71.96	352.91	3.68	-68.28
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC[N@H+]1C	REAL300029578698	1	48	0.0	-76.92	360.29	3.76	-73.16
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1C[N@H+](C)CCO1	REAL300029578722	1	49	0.0	-78.62	371.65	3.57	-75.05
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1C[N@@H+](C)CCO1	REAL300029578722	1	49	0.0	-80.93	372.46	3.50	-77.43
CC(C)C1=[NH+]C=CN1CCC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029578906	1	55	0.0	-66.37	425.52	6.53	-59.84
CC(C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300029578913	0	57	0.0	-55.07	381.98	6.22	-48.85
CC(C)[N@@H+]1CCCCC1C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029578915	0	57	0.0	-68.72	410.25	5.65	-63.07
CC(C)[N@H+]1CCCCC1C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029578915	1	57	0.0	-47.50	381.80	5.88	-41.62
CC(C)[N@@H+]1CCCC1C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029578949	0	54	0.0	-66.20	389.56	5.76	-60.44
CC(C)[N@H+]1CCCC1C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029578949	1	54	0.0	-58.35	378.53	6.70	-51.65
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC2CCCC[N@@H+]2C1	REAL300029578975	0	55	0.0	-70.01	404.82	5.88	-64.13
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC2CCCC[N@H+]2C1	REAL300029578975	1	55	0.0	-51.94	391.29	7.85	-44.09
CC(C)C1=[NH+]C=CN1CC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029579008	1	52	0.0	-51.30	394.93	6.65	-44.65
CC1=[NH+]C=CN1CC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029579062	1	46	0.0	-49.41	352.78	5.29	-44.12
CC(C[NH+]1CCOCC1)C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029579064	0	55	0.0	-50.45	390.16	4.18	-46.27
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCC[NH+]1CCCCC1	REAL300029579086	0	57	0.0	-72.93	425.57	6.61	-66.32
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)[NH+]1CCCCC1	REAL300029579113	0	57	0.0	-65.24	399.72	6.21	-59.03
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1C[NH+]2CCC1CC2	REAL300029579132	0	52	0.0	-78.72	376.55	4.88	-73.84
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCC2CCC[N@@H+]21	REAL300029579190	0	55	0.0	-64.49	400.74	5.98	-58.51
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCC2CCC[N@H+]21	REAL300029579190	1	55	0.0	-64.83	399.82	5.88	-58.95
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300029579192	0	54	0.0	-78.80	419.60	4.52	-74.28
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300029579207	0	54	0.0	-81.95	421.85	5.19	-76.76
C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029579214	0	51	0.0	-75.87	367.78	4.14	-71.73
C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029579214	1	51	0.0	-74.88	374.23	4.38	-70.50
CCC1=[NH+]C=CN1C(C)CC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029579217	1	55	0.0	-52.16	409.67	6.86	-45.30
CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029579220	0	54	0.0	-62.10	369.86	4.98	-57.12
CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029579220	1	54	0.0	-71.07	397.84	5.33	-65.74
CC[N@@H+]1CCOC(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029579246	1	52	0.0	-77.78	384.05	4.01	-73.77
CC[N@H+]1CCOC(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029579246	1	52	0.0	-68.98	383.14	4.00	-64.98
CC[NH+](CC)CC(F)C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029579306	0	53	0.0	-73.61	402.82	5.31	-68.30
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=C(C[NH+](C)C)C=CS1	REAL300029579307	0	51	0.0	-35.76	383.49	6.21	-29.55
CC1CCC(C)[NH+]1CC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029579412	0	54	0.0	-67.48	397.45	5.41	-62.07
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCC[NH+]1CCCC1	REAL300029579419	0	54	0.0	-72.55	408.93	5.91	-66.64
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(C[NH+](C)C)=CC=C1	REAL300029579420	0	54	0.0	-73.43	414.75	6.49	-66.94
C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029579427	0	53	0.0	-76.46	405.01	5.94	-70.52
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[NH+]1CCCCC1	REAL300029579428	0	54	0.0	-72.84	403.94	5.78	-67.06
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CC=C1C[NH+](C)C	REAL300029579432	0	54	0.0	-60.14	392.98	7.96	-52.18
CC[N@@H+]1CCCCC1C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029579441	0	54	0.0	-66.37	382.53	4.96	-61.41
CC[N@H+]1CCCCC1C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029579441	1	54	0.0	-46.18	376.44	5.72	-40.46
CC(C)C(C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300029579442	0	60	0.0	-67.88	425.99	6.97	-60.91
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(C1=CC=CC=C1)[NH+](C)C	REAL300029579445	1	54	0.0	-66.97	409.65	6.62	-60.35
CC(C)C[N@@H+]1CCC(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029579471	0	57	0.0	-60.18	410.23	7.88	-52.30
CC(C)C[N@H+]1CCC(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029579471	1	57	0.0	-71.89	421.00	6.20	-65.69
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1([NH+](C)C)CCC1	REAL300029579475	0	51	0.0	-74.28	365.96	4.55	-69.73
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(CN1C=CC=N1)[NH+](C)C	REAL300029579477	1	54	0.0	-74.77	406.50	5.12	-69.65
CC(C)[N@@H+]1CCCC1CC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029579482	0	57	0.0	-67.84	412.55	5.43	-62.41
CC(C)[N@H+]1CCCC1CC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029579482	1	57	0.0	-63.83	408.80	5.43	-58.40
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC[N@@H+]1C1CCCC1	REAL300029579483	0	58	0.0	-55.17	401.71	6.97	-48.20
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC[N@H+]1C1CCCC1	REAL300029579483	1	58	0.0	-66.86	424.37	6.67	-60.19
CC(C)[C@@H](C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029579504	0	53	0.0	-64.94	355.83	5.28	-59.66
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)C1CCC1	REAL300029579566	0	51	0.0	-73.32	386.31	5.18	-68.14
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)C1CCC1	REAL300029579566	1	51	0.0	-69.28	386.54	5.32	-63.96
CC(C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300029579652	0	57	0.0	-64.52	411.16	5.75	-58.77
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCN(C)C1=CC=[NH+]C=C1	REAL300029579731	0	53	0.0	-68.11	414.80	5.04	-63.07
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029579743	1	50	0.0	-54.73	364.76	5.35	-49.38
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029579743	1	50	0.0	-68.73	388.61	5.37	-63.36
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCC1CCC[N@@H+]1C	REAL300029579753	0	54	0.0	-73.66	407.45	5.85	-67.81
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCC1CCC[N@H+]1C	REAL300029579753	1	54	0.0	-75.09	406.49	5.87	-69.22
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CCC[NH+](CCC1)C2	REAL300029579766	0	55	0.0	-72.99	387.41	5.07	-67.92
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC2CCCC[N@@H+]21	REAL300029579774	0	55	0.0	-67.93	398.42	5.81	-62.12
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC2CCCC[N@H+]21	REAL300029579774	1	55	0.0	-66.02	403.78	6.11	-59.91
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)C[NH+]1CCOCC1	REAL300029579782	0	58	0.0	-73.66	413.78	4.00	-69.66
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCCC[NH+]1CCCC1	REAL300029579802	0	57	0.0	-72.93	429.33	6.63	-66.30
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300029579805	1	54	0.0	-80.31	416.89	6.81	-73.50
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300029579805	1	54	0.0	-80.52	417.10	6.79	-73.73
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[NH+](C)CC1	REAL300029579822	0	51	0.0	-75.16	369.25	6.91	-68.25
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300029579882	1	50	0.0	-78.61	396.37	4.71	-73.90
CC1=C(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300029579884	0	49	0.0	-73.52	390.48	6.89	-66.63
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCC[N@@H+]1C	REAL300029579927	0	51	0.0	-62.54	357.29	5.24	-57.30
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCC[N@H+]1C	REAL300029579927	1	51	0.0	-68.94	380.01	4.94	-64.00
CC(C)C[N@@H+]1CCCC1C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029579958	0	57	0.0	-67.07	417.85	5.98	-61.09
CC(C)C[N@H+]1CCCC1C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029579958	1	57	0.0	-70.05	406.83	5.48	-64.57
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300029580115	0	46	0.0	-72.64	373.82	6.71	-65.93
CC1=[NH+]C=CN1CCCC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029580128	1	52	0.0	-69.17	410.01	6.29	-62.88
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCCC[NH+]1CCOCC1	REAL300029580132	1	58	0.0	-76.02	437.37	4.97	-71.05
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300029580138	0	54	0.0	-79.07	414.09	6.48	-72.59
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[NH+]1CCOCC1	REAL300029580139	1	52	0.0	-76.20	394.37	3.40	-72.80
CCC[NH+](CCC)CCCC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029580164	0	62	0.0	-73.31	457.29	7.31	-66.00
CC1=C[NH+]=CN1CC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029580184	1	46	0.0	-58.84	353.04	6.29	-52.55
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CN1C=[NH+]C2=C1CCCC2	REAL300029580195	1	53	0.0	-58.77	392.86	7.50	-51.27
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1(C[NH+](C)C)CCCCC1	REAL300029580239	0	60	0.0	-66.28	398.71	6.60	-59.68
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[N@H+](C)C1CCCCC1	REAL300029580245	0	60	0.0	-74.41	437.44	7.01	-67.40
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[N@@H+](C)C1CCCCC1	REAL300029580245	1	60	0.0	-80.01	438.74	6.89	-73.12
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CCC[NH+]1CCC2	REAL300029580250	0	52	0.0	-78.55	351.13	6.54	-72.01
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCC([NH+](C)C)C1	REAL300029580289	0	57	0.0	-48.43	394.03	7.27	-41.16
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC[N@H+](C)C1	REAL300029580294	0	51	0.0	-74.23	387.14	4.98	-69.25
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC[N@@H+](C)C1	REAL300029580294	1	51	0.0	-73.47	387.15	4.99	-68.48
CN(C)C1=CC=[NH+]C=C1C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029580308	0	50	0.0	-78.76	390.13	3.29	-75.47
CCC(C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029580314	0	50	0.0	-49.24	351.18	4.64	-44.60
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1([NH+](C)C)CCCC1	REAL300029580334	0	57	0.0	-74.76	404.06	5.80	-68.96
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300029580399	1	46	0.0	-75.48	373.95	6.73	-68.75
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300029580442	1	49	0.0	-81.08	396.90	5.13	-75.95
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCCC[NH+](C)C	REAL300029580476	0	53	0.0	-73.97	404.46	5.52	-68.45
CC(C)C(C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029580498	0	53	0.0	-70.11	382.57	4.91	-65.20
CCC[N@H+](C)CCC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029580500	0	53	0.0	-74.22	401.67	5.35	-68.87
CCC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029580500	1	53	0.0	-74.15	401.66	5.33	-68.82
CCC[N@H+](C)CC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029580506	0	50	0.0	-50.86	368.03	5.30	-45.56
CCC[N@@H+](C)CC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029580506	1	50	0.0	-75.42	379.12	4.71	-70.71
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CC[N@H+](C1)CCC2	REAL300029580536	0	52	0.0	-76.98	370.82	4.15	-72.83
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CC[N@@H+](C1)CCC2	REAL300029580536	1	52	0.0	-74.30	371.88	4.21	-70.09
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300029580600	0	48	0.0	-67.48	362.36	4.15	-63.33
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CCC[N@H+]1C	REAL300029580600	1	48	0.0	-68.30	358.68	3.89	-64.41
CC1CC2CCC(C(=O)N(C)C[C@@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)C[N@@H+]2C1	REAL300029580627	0	58	0.0	-46.02	399.75	8.19	-37.83
CC1CC2CCC(C(=O)N(C)C[C@@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)C[N@H+]2C1	REAL300029580627	1	58	0.0	-65.76	414.57	6.58	-59.18
CCCCCC[N@H+](C)CC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029580678	0	59	0.0	-51.68	432.53	7.64	-44.04
CCCCCC[N@@H+](C)CC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029580678	1	59	0.0	-73.21	444.04	7.10	-66.11
CC[NH+](CC)C(C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300029580687	0	59	0.0	-67.66	400.92	5.63	-62.03
CC[NH+](CC)CC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029580697	0	50	0.0	-69.16	375.30	4.68	-64.48
CCC[N@@H+]1CCCC(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029580731	0	57	0.0	-71.53	419.57	6.14	-65.39
CCC[N@H+]1CCCC(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029580731	1	57	0.0	-66.21	411.49	6.30	-59.91
CC(C)[N@@H+]1CCOC(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029580754	0	55	0.0	-75.89	400.85	4.51	-71.38
CC(C)[N@H+]1CCOC(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029580754	1	55	0.0	-67.03	400.04	4.48	-62.55
CC1CC[NH+](CC(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029580794	0	54	0.0	-72.16	401.61	5.83	-66.33
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300029580825	1	49	0.0	-78.10	394.59	4.45	-73.65
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)COC1CC[NH+](C)CC1	REAL300029580834	0	55	0.0	-77.03	420.24	5.44	-71.59
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1(C[NH+](C)C)CC1	REAL300029580851	0	51	0.0	-61.82	371.92	5.49	-56.33
CC1=[NH+]C=C2CCC(C(=O)N(C)C[C@@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)CN21	REAL300029580852	1	53	0.0	-65.31	405.12	5.88	-59.43
CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029580953	0	57	0.0	-74.48	410.94	5.75	-68.73
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[NH+](C)CC1	REAL300029580983	0	51	0.0	-75.16	369.25	6.91	-68.25
CC(C)[C@H](C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029581006	0	53	0.0	-48.02	359.04	5.35	-42.67
CCC(C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300029581043	0	56	0.0	-64.53	402.44	5.50	-59.03
CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029581138	0	50	0.0	-73.67	379.13	4.61	-69.06
CC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029581138	1	50	0.0	-73.38	379.20	4.60	-68.78
CC1CCC[N@@H+]1CC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029581214	0	51	0.0	-67.93	378.72	4.71	-63.22
CC1CCC[N@H+]1CC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029581214	1	51	0.0	-68.29	386.12	4.98	-63.31
CC1CC[N@H+](CC(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029581216	0	51	0.0	-70.73	385.65	5.07	-65.66
CC1CC[N@@H+](CC(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029581216	1	51	0.0	-70.48	386.53	4.99	-65.49
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1(F)CC[N@@H+](C(C)(C)C)C1	REAL300029581217	0	57	0.0	-62.31	401.27	7.32	-54.99
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1(F)CC[N@H+](C(C)(C)C)C1	REAL300029581217	1	57	0.0	-69.53	413.36	5.43	-64.10
CC1=[NH+]C=C2CC(C(=O)N(C)C[C@@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)CCN21	REAL300029581219	1	53	0.0	-69.29	405.94	5.96	-63.33
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300029581222	0	54	0.0	-70.67	405.18	5.59	-65.08
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+]1CCC(C)(C)C1	REAL300029581222	1	54	0.0	-70.42	405.00	5.58	-64.84
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)CC(C)(C)C	REAL300029581223	0	56	0.0	-75.27	410.16	5.74	-69.53
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)CC(C)(C)C	REAL300029581223	1	56	0.0	-75.40	407.38	5.71	-69.69
CC[C@@H](C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029581234	0	50	0.0	-70.98	369.88	4.42	-66.56
CC(COCC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCC1	REAL300029581242	0	58	0.0	-70.29	438.66	6.08	-64.21
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[NH+](CC2CC2)CC1	REAL300029581330	0	58	0.0	-84.03	429.94	6.94	-77.09
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1(O)CC[NH+](C)CC1	REAL300029581480	0	55	0.0	-73.14	410.30	3.59	-69.55
COCC[N@@H+]1CCCC1CC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029581487	0	58	0.0	-72.93	428.82	4.71	-68.22
COCC[N@H+]1CCCC1CC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029581487	1	58	0.0	-66.74	432.15	4.96	-61.78
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+](C)C	REAL300029581495	0	44	0.0	-75.89	340.19	3.22	-72.67
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCC(CO)CC1	REAL300029581500	0	55	0.0	-73.40	412.44	2.52	-70.88
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCCCCC1	REAL300029581504	0	54	0.0	-70.86	390.00	5.39	-65.47
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N+]1=CN(C)C=C1	REAL300029581509	0	46	0.0	-68.23	371.53	6.87	-61.36
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC[N@H+](C)C1	REAL300029581520	0	51	0.0	-72.84	379.85	4.72	-68.12
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC[N@@H+](C)C1	REAL300029581520	1	51	0.0	-72.90	380.22	4.76	-68.14
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC[N@@H+]1C1CC1	REAL300029581526	0	52	0.0	-70.10	381.30	4.86	-65.24
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC[N@H+]1C1CC1	REAL300029581526	1	52	0.0	-66.53	388.85	5.54	-60.99
CC(C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300029581563	1	48	0.0	-69.09	364.45	4.24	-64.85
CCC(CC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029581572	0	56	0.0	-80.88	412.29	5.80	-75.08
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)C[NH+](C)C	REAL300029581581	0	53	0.0	-69.29	373.71	4.35	-64.94
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300029581604	0	53	0.0	-77.77	396.25	5.79	-71.98
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300029581604	1	53	0.0	-71.95	372.36	7.01	-64.94
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCC(O)CC1	REAL300029581627	1	52	0.0	-74.88	392.88	1.85	-73.03
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)C1CC1	REAL300029581629	0	48	0.0	-69.55	369.42	4.74	-64.81
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)C1CC1	REAL300029581629	1	48	0.0	-69.14	369.44	4.74	-64.40
CC(C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300029581630	1	56	0.0	-73.44	413.57	3.17	-70.27
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1C[NH+](C)C1	REAL300029581659	0	48	0.0	-73.96	370.38	4.20	-69.76
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[N@@H+]1C1CCCC1	REAL300029581663	0	55	0.0	-51.04	386.14	6.26	-44.78
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[N@H+]1C1CCCC1	REAL300029581663	1	55	0.0	-70.70	408.98	6.01	-64.69
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300029581671	0	54	0.0	-54.78	383.52	5.37	-49.41
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[N@H+]1C(C)(C)C	REAL300029581671	1	54	0.0	-72.99	401.34	4.90	-68.09
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300029581682	0	54	0.0	-69.49	413.14	3.76	-65.73
C[C@@H](C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029581685	0	47	0.0	-50.11	335.32	4.05	-46.06
CCC1CCC[N@H+](CC(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029581737	0	57	0.0	-71.78	413.91	6.42	-65.36
CCC1CCC[N@@H+](CC(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029581737	1	57	0.0	-71.70	421.37	6.46	-65.24
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=C(C[NH+](C)C)N1	REAL300029581746	0	52	0.0	-94.30	402.97	5.07	-89.23
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC2CCC(C1)[NH+]2C	REAL300029581761	0	58	0.0	-71.60	404.94	5.82	-65.78
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CN1C=CSC1=[NH2+]	REAL300029581807	0	44	0.0	-43.27	349.40	4.46	-38.81
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[N@H+](C)CCO	REAL300029581820	0	51	0.0	-72.86	390.51	1.37	-71.49
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[N@@H+](C)CCO	REAL300029581820	1	51	0.0	-73.00	389.39	1.40	-71.60
C[C@@H](C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029581821	0	47	0.0	-50.11	335.32	4.05	-46.06
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CCCC[N@@H+]1C	REAL300029581825	0	51	0.0	-65.86	365.76	6.09	-59.77
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CCCC[N@H+]1C	REAL300029581825	1	51	0.0	-48.50	353.62	5.25	-43.25
CC1CN2CC[N@@H+]1CC2C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029581835	0	54	0.0	-62.94	376.78	2.45	-60.49
CC1CN2CC[N@H+]1CC2C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029581835	1	54	0.0	-63.08	376.80	2.49	-60.59
COC1C[N@@H+]2CCCC2(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029581884	0	56	0.0	-67.54	408.87	3.76	-63.78
COC1C[N@H+]2CCCC2(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029581884	1	56	0.0	-65.30	409.40	3.72	-61.58
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CC2=C[NH+]=CN2C=C1	REAL300029581900	0	49	0.0	-70.60	394.71	7.57	-63.03
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)C1CCSC1	REAL300029581933	0	52	0.0	-81.36	399.22	5.52	-75.84
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)C1CCSC1	REAL300029581933	1	52	0.0	-81.20	399.97	5.46	-75.74
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCC1	REAL300029581934	1	45	0.0	-71.67	350.11	3.73	-67.94
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=NC(C[NH+](C)C)=C1	REAL300029581972	1	53	0.0	-71.94	409.88	5.04	-66.90
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C=C1CC[N@H+](C)C1	REAL300029581974	0	49	0.0	-75.50	377.06	4.93	-70.57
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C=C1CC[N@@H+](C)C1	REAL300029581974	1	49	0.0	-81.46	378.13	4.86	-76.60
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1C[NH+](C2CCCCC2)C1	REAL300029582001	0	58	0.0	-73.57	430.83	6.62	-66.95
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)COCC[NH+](C)C	REAL300029582019	0	51	0.0	-70.64	395.89	4.37	-66.27
CCCCC[N@H+](C)CCC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029582026	0	59	0.0	-75.34	443.62	6.92	-68.42
CCCCC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029582026	1	59	0.0	-75.12	444.65	6.89	-68.23
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300029582036	0	55	0.0	-71.28	415.92	5.19	-66.09
C=CCC(C)(C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029582048	0	54	0.0	-50.11	369.69	5.76	-44.35
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(O)CC[S+](C)C	REAL300029582053	0	50	0.0	-73.21	389.62	3.46	-69.75
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CC(O)C[N@@H+]1C	REAL300029582088	0	52	0.0	-66.63	378.16	0.79	-65.84
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CN(C)CC[N@H+](C)C1	REAL300029582103	0	56	0.0	-74.66	407.46	2.73	-71.93
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CN(C)CC[N@@H+](C)C1	REAL300029582103	1	56	0.0	-74.66	407.46	2.73	-71.93
CC(C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300029582104	0	55	0.0	-66.11	394.84	3.45	-62.66
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1(O)CCC[N@H+](C)C1	REAL300029582129	0	55	0.0	-71.03	407.51	3.74	-67.29
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1(O)CCC[N@@H+](C)C1	REAL300029582129	1	55	0.0	-71.03	407.51	3.74	-67.29
CC1CN(CC(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029582133	0	48	0.0	-72.33	370.31	4.46	-67.87
CC1C[NH+](CC(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029582133	1	48	0.0	-72.33	370.31	4.46	-67.87
CN(CCO)CC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029582163	0	48	0.0	-72.89	368.41	0.79	-72.10
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)CCO	REAL300029582163	1	48	0.0	-50.27	355.30	1.64	-48.63
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)CCO	REAL300029582163	1	48	0.0	-50.27	355.30	1.64	-48.63
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C=C1CC2CCC(C1)[NH+]2C	REAL300029582186	0	56	0.0	-75.91	413.82	6.25	-69.66
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1C[N@@H+]2CCN1CCC2	REAL300029582191	0	54	0.0	-51.26	370.63	3.69	-47.57
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1C[N@H+]2CCN1CCC2	REAL300029582191	1	54	0.0	-51.26	370.63	3.69	-47.57
CC[N@@H+]1CCCC(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029582200	0	54	0.0	-66.87	387.82	5.50	-61.37
CC[N@H+]1CCCC(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029582200	1	54	0.0	-66.87	387.82	5.50	-61.37
CC(CC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029582202	0	53	0.0	-80.09	397.07	5.34	-74.75
CC[N@H+](C)CC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029582218	0	47	0.0	-75.30	357.90	3.88	-71.42
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CCC[N@@H+]1CCCC2	REAL300029582247	0	55	0.0	-70.18	387.66	4.92	-65.26
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CCC[N@H+]1CCCC2	REAL300029582247	1	55	0.0	-70.18	387.66	4.92	-65.26
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CCC[N@@H+]1CC=CC2	REAL300029582257	0	53	0.0	-51.82	367.70	5.58	-46.24
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CCC[N@H+]1CC=CC2	REAL300029582257	1	53	0.0	-51.82	367.70	5.58	-46.24
CC[N@H+](CC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029582285	0	51	0.0	-70.00	380.54	4.89	-65.11
CC[NH+](CC)CCC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029582310	0	53	0.0	-72.33	396.43	5.29	-67.04
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CN1CC(C)(C)C1	REAL300029582344	0	51	0.0	-71.47	390.39	4.91	-66.56
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CC(C)(C)C1	REAL300029582344	1	51	0.0	-71.47	390.39	4.91	-66.56
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCCC[NH+]1CCCCC1	REAL300029582350	0	60	0.0	-72.79	447.08	7.38	-65.41
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300029582385	0	52	0.0	-71.08	396.61	1.74	-69.34
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C=CC[NH+](C)C	REAL300029582398	0	48	0.0	-76.56	374.98	4.57	-71.99
CC(OCC[NH+](C)C)C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029582425	0	54	0.0	-71.43	410.15	4.79	-66.64
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCOCC[NH+](C)C	REAL300029582436	0	54	0.0	-71.80	416.26	4.18	-67.62
COCCN(C)CC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029582437	0	51	0.0	-49.93	377.55	4.03	-45.90
COCC[N@H+](C)CC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029582437	1	51	0.0	-76.60	390.23	3.13	-73.47
COCC[N@@H+](C)CC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029582437	1	51	0.0	-76.60	390.23	3.13	-73.47
COCCCC[N@H+](C)CCC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029582469	0	60	0.0	-78.04	456.83	5.18	-72.86
COCCCC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029582469	1	60	0.0	-78.04	456.83	5.18	-72.86
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1([NH+](C)C)CCCC1	REAL300029582495	0	54	0.0	-75.34	380.25	5.01	-70.33
CC(CCC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029582498	0	53	0.0	-76.48	392.55	5.13	-71.35
CCN1CCC1C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029582508	0	48	0.0	-75.47	371.19	4.17	-71.30
CC[N@@H+]1CCC1C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029582508	1	48	0.0	-69.33	364.14	3.97	-65.36
CC[N@H+]1CCC1C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029582508	1	48	0.0	-69.33	364.14	3.97	-65.36
CC(C)[N@@H+]1CCCC(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029582521	0	57	0.0	-65.27	406.58	6.07	-59.20
CC(C)[N@H+]1CCCC(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029582521	1	57	0.0	-65.27	406.58	6.07	-59.20
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+]1CCCC1CO	REAL300029582536	0	52	0.0	-70.16	389.12	1.42	-68.74
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC2CCCC[N@@H+]2C1	REAL300029582563	0	55	0.0	-51.94	391.29	7.85	-44.09
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC2CCCC[N@H+]2C1	REAL300029582563	1	55	0.0	-51.94	391.29	7.85	-44.09
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CC[NH+](C)CC1	REAL300029582572	0	54	0.0	-68.02	386.84	4.94	-63.08
C=CCC(C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029582615	0	51	0.0	-68.02	381.72	4.88	-63.14
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300029582633	0	54	0.0	-67.39	398.95	4.98	-62.41
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC(C)(C)C[N@H+]1C	REAL300029582633	1	54	0.0	-67.39	398.95	4.98	-62.41
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCCCC[NH+](C)C	REAL300029582638	0	56	0.0	-72.96	425.96	6.30	-66.66
CC1C[N@@H+]2CCN1C(C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300029582686	0	54	0.0	-73.06	381.31	4.59	-68.47
CCCC(C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029582687	0	53	0.0	-70.17	388.30	5.06	-65.11
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)[NH+](C)C	REAL300029582692	0	50	0.0	-69.32	357.50	4.16	-65.16
CC[NH+](CC)CCSCC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029582733	0	57	0.0	-74.13	442.18	6.68	-67.45
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCC[N@@H+]1C	REAL300029582745	0	51	0.0	-68.94	380.01	4.94	-64.00
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CC[N@H+](C)CC1	REAL300029582797	0	52	0.0	-69.53	398.23	5.70	-63.83
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CC[N@@H+](C)CC1	REAL300029582797	1	52	0.0	-69.53	398.23	5.70	-63.83
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1([NH+]2CCCC2)CC1	REAL300029582807	0	55	0.0	-69.10	406.13	6.13	-62.97
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)C1CCC[N@H+](C)C1	REAL300029582866	0	60	0.0	-74.91	420.90	5.99	-68.92
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)C1CCC[N@@H+](C)C1	REAL300029582866	1	60	0.0	-74.91	420.90	5.99	-68.92
CN(C)CC1=CC=C(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029582871	0	51	0.0	-77.40	400.73	5.19	-72.21
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300029582871	1	51	0.0	-77.40	400.73	5.19	-72.21
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C=CC[NH+]1CCCC1	REAL300029582895	0	52	0.0	-75.31	400.42	5.65	-69.66
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[NH+](C2CC2)CC1	REAL300029582922	0	55	0.0	-74.66	403.07	5.93	-68.73
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[NH+]1CCCC1	REAL300029582951	0	51	0.0	-73.04	387.36	5.11	-67.93
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CC(C1)C[N@@H+]2C	REAL300029583009	0	49	0.0	-69.46	366.34	4.60	-64.86
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+]1CC2CCC1C2	REAL300029583025	0	52	0.0	-69.34	386.58	5.44	-63.90
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+]1CC2CCC1C2	REAL300029583025	1	52	0.0	-69.34	386.58	5.44	-63.90
CC(C)[NH+]1CCC(CC(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029583037	0	60	0.0	-68.13	437.57	6.95	-61.18
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C=C1C[NH+]2CCC1CC2	REAL300029583088	0	53	0.0	-69.73	395.39	5.70	-64.03
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CN1CC2C=CC1C2	REAL300029583100	0	50	0.0	-67.61	378.96	5.20	-62.41
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+]1CC2C=CC1C2	REAL300029583100	1	50	0.0	-69.20	378.30	5.30	-63.90
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+]1CC2C=CC1C2	REAL300029583100	1	50	0.0	-69.20	378.30	5.30	-63.90
CC(C[NH+](C)C)C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029583165	0	50	0.0	-53.91	353.96	5.64	-48.27
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CCCC[N@@H+]1C	REAL300029583267	0	54	0.0	-66.29	392.79	5.37	-60.92
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CCCC[N@H+]1C	REAL300029583267	1	54	0.0	-66.29	392.79	5.37	-60.92
CC1=C2C=C(C(=O)N(C)C[C@@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=N1	REAL300029583290	0	49	0.0	-73.29	395.87	7.30	-65.99
CC1=C2C=C(C(=O)N(C)C[C@@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029583290	1	49	0.0	-73.29	395.87	7.30	-65.99
CC1CCN1CC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029583295	0	48	0.0	-69.95	371.54	4.42	-65.53
CC1CC[N@@H+]1CC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029583295	1	48	0.0	-70.60	371.40	4.42	-66.18
CC1CC[N@H+]1CC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029583295	1	48	0.0	-70.60	371.40	4.42	-66.18
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC(O)C[NH+](C)C	REAL300029583300	0	51	0.0	-83.94	391.71	2.26	-81.68
CC1CN(C)CC(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029583338	0	52	0.0	-94.33	387.84	3.89	-90.44
CC1C[N@H+](C)CC(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029583338	1	52	0.0	-82.12	386.41	3.83	-78.29
CC1C[N@@H+](C)CC(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029583338	1	52	0.0	-82.12	386.41	3.83	-78.29
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[NH+]1CCC(O)CC1	REAL300029583350	0	55	0.0	-76.52	414.12	2.49	-74.03
CCC[N@@H+]1CCCCC1C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029583353	0	57	0.0	-68.89	406.80	5.83	-63.06
CCC[N@H+]1CCCCC1C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029583353	1	57	0.0	-68.89	406.80	5.83	-63.06
CC[NH+]1CCN(CCC(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029583358	0	59	0.0	-74.23	436.55	3.92	-70.31
CCN1CC[NH+](CCC(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029583358	1	59	0.0	-74.23	436.55	3.92	-70.31
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300029583361	0	58	0.0	-64.03	409.96	6.53	-57.50
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300029583361	1	58	0.0	-64.03	409.96	6.53	-57.50
CC(C)C[NH+]1CCC(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029583409	0	60	0.0	-74.29	425.88	9.03	-65.26
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CN1CCC([NH+](C)C)CC1	REAL300029583435	0	59	0.0	-76.43	434.09	3.83	-72.60
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300029583457	0	51	0.0	-71.42	389.42	5.09	-66.33
CC(CC[NH+](C)C)C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029583465	0	53	0.0	-73.47	395.38	4.96	-68.51
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300029583499	0	55	0.0	-71.68	411.29	2.40	-69.28
C#CCN1CCCCC1C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029583508	0	53	0.0	-66.21	403.81	6.05	-60.16
C#CC[N@H+]1CCCCC1C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029583508	1	53	0.0	-47.68	379.98	6.26	-41.42
C#CC[N@@H+]1CCCCC1C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029583508	1	53	0.0	-47.68	379.98	6.26	-41.42
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CN1CCN(C)CC1	REAL300029583514	0	53	0.0	-76.71	400.05	2.76	-73.95
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CN1CC[NH+](C)CC1	REAL300029583514	1	53	0.0	-76.71	400.05	2.76	-73.95
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CSC(N)=[NH2+]	REAL300029583555	0	42	0.0	-73.06	347.94	0.35	-72.71
CC[N@H+]1CCOCC1CC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029583603	1	55	0.0	-82.61	408.52	3.75	-78.86
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1(CC[NH+](C)C)CCCC1	REAL300029583622	0	60	0.0	-78.94	425.58	6.22	-72.72
CC1CCCC(C)[NH+]1CCC(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029583624	0	60	0.0	-68.69	432.14	6.48	-62.21
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC([NH+](C)C)CC1	REAL300029583627	0	57	0.0	-64.85	404.21	5.65	-59.20
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1(CC[NH+](C)C)CC1	REAL300029583628	0	54	0.0	-75.57	409.80	5.70	-69.87
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300029583632	0	57	0.0	-70.84	404.21	5.72	-65.12
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC=CC[N@@H+]1C	REAL300029583633	0	52	0.0	-75.23	391.12	5.42	-69.81
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC=CC[N@H+]1C	REAL300029583633	1	52	0.0	-66.81	387.25	5.31	-61.50
C[C@@H](OCC[NH+](C)C)C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029583663	0	54	0.0	-46.07	395.38	5.67	-40.40
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC2CCC(C1)[NH+]2C	REAL300029583697	0	55	0.0	-69.08	361.11	4.45	-64.63
CC(C(=O)N(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300029583850	1	52	0.0	-70.22	395.11	5.24	-64.98
CCC1C[NH+](CC(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029583853	1	51	0.0	-72.55	392.84	5.17	-67.38
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1C[NH+](C2CCOCC2)C1	REAL300029583855	0	56	0.0	-78.16	422.64	4.22	-73.94
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1([NH+]2CCCC2)CCC1	REAL300029583857	0	55	0.0	-66.00	394.22	5.30	-60.70
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300029583868	0	48	0.0	-71.41	353.58	3.71	-67.70
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300029583868	1	48	0.0	-68.88	362.47	4.18	-64.70
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[N@@H+]1CCC(F)C1	REAL300029583878	0	51	0.0	-79.08	393.35	5.06	-74.02
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[N@H+]1CCC(F)C1	REAL300029583878	1	51	0.0	-79.51	393.60	5.07	-74.44
COC1C[N@H+](C)C(C)(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029583887	0	55	0.0	-82.28	383.32	4.65	-77.63
COC1C[N@@H+](C)C(C)(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029583887	1	55	0.0	-81.08	398.16	3.21	-77.87
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[NH+]1CCCCCC1	REAL300029583900	0	57	0.0	-75.11	413.05	6.04	-69.07
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCCCC1	REAL300029583902	0	51	0.0	-75.44	381.64	5.15	-70.29
CC1C(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029583912	0	51	0.0	-75.76	368.38	4.06	-71.70
CC1C(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029583912	1	51	0.0	-71.62	376.08	4.32	-67.30
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCC1CCCC[N@@H+]1C	REAL300029583915	0	57	0.0	-82.13	413.96	6.04	-76.09
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCC1CCCC[N@H+]1C	REAL300029583915	1	57	0.0	-70.95	420.52	6.31	-64.64
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[N@@H+]2CCOCC12	REAL300029583951	0	53	0.0	-56.48	379.77	4.13	-52.35
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[N@H+]2CCOCC12	REAL300029583951	1	53	0.0	-82.62	397.50	3.44	-79.18
CC1=[NH+]C=C2C=CC(C(=O)N(C)C[C@@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)=CN21	REAL300029583959	0	49	0.0	-68.52	395.24	6.49	-62.03
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1COCC[N@@H+]1C	REAL300029583979	1	52	0.0	-77.89	389.75	3.17	-74.72
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1COCC[N@H+]1C	REAL300029583979	1	52	0.0	-77.84	390.19	3.22	-74.62
CC1=C(C)[NH+]=C(CCC(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)N1	REAL300029583990	1	52	0.0	-67.41	410.47	4.66	-62.75
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300029584005	1	55	0.0	-70.37	423.48	7.09	-63.28
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[N@H+]1CC1=CC=CC=C1	REAL300029584005	1	55	0.0	-68.93	423.76	7.04	-61.89
CC(C)C[N@@H+]1CCCC(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029584009	0	60	0.0	-65.78	430.84	7.06	-58.72
CC(C)C[N@H+]1CCCC(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029584009	1	60	0.0	-71.65	436.54	6.83	-64.82
CN(C[C@@H]1CCCN1C(=O)C1CCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029584176	0	48	0.0	-69.42	358.47	3.88	-65.54
CN(C[C@@H]1CCCN1C(=O)C1CCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029584176	1	48	0.0	-67.35	364.66	4.26	-63.09
CC1=[NH+]C=CN1CCCC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029584370	1	52	0.0	-75.03	412.62	6.20	-68.83
CN(C[C@@H]1CCCN1C(=O)CCCC[NH+]1CCOCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029584374	1	58	0.0	-74.93	438.76	5.03	-69.90
CN(C[C@@H]1CCCN1C(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029584378	0	54	0.0	-74.88	399.39	5.80	-69.08
CN(C[C@@H]1CCCN1C(=O)CC[NH+]1CCOCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029584379	1	52	0.0	-75.16	395.77	3.46	-71.70
CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029584398	0	62	0.0	-71.61	461.62	7.67	-63.94
CN(C[C@@H]1CCCN1C(=O)C1=CC2=C[NH+]=CN2C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029584426	1	46	0.0	-67.72	356.06	7.12	-60.60
CN(C[C@@H]1CCCN1C(=O)C1CCCC([NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029584491	0	57	0.0	-70.17	416.00	6.03	-64.14
CN(C[C@@H]1CCCN1C(=O)CC1CC[N@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029584496	0	51	0.0	-78.97	388.16	4.96	-74.01
CN(C[C@@H]1CCCN1C(=O)CC1CC[N@@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029584496	1	51	0.0	-79.35	387.05	4.97	-74.38
CCC(C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029584513	0	50	0.0	-70.22	367.54	4.16	-66.06
CN(C[C@@H]1CCCN1C(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029584522	1	49	0.0	-92.17	398.67	4.94	-87.23
CC1CC2CCC(C(=O)N3CCC[C@H]3CN(C)C(=O)C3=CC(=O)[N-]O3)C[N@@H+]2C1	REAL300029584565	0	58	0.0	-63.16	418.46	6.64	-56.52
CC1CC2CCC(C(=O)N3CCC[C@H]3CN(C)C(=O)C3=CC(=O)[N-]O3)C[N@H+]2C1	REAL300029584565	1	58	0.0	-44.52	406.68	7.46	-37.06
CN(C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300029584594	0	53	0.0	-72.90	405.85	5.59	-67.31
CCC[N@H+](C)CCC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029584615	0	53	0.0	-73.16	402.09	5.42	-67.74
CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029584615	1	53	0.0	-73.08	402.09	5.41	-67.67
CCC[N@H+](C)CC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029584619	0	50	0.0	-73.68	380.16	4.72	-68.96
CCC[N@@H+](C)CC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029584619	1	50	0.0	-74.43	380.86	4.68	-69.75
CN(C[C@@H]1CCCN1C(=O)C12CC[N@H+](C1)CCC2)C(=O)C1=CC(=O)[N-]O1	REAL300029584642	0	52	0.0	-76.09	372.43	4.22	-71.87
CN(C[C@@H]1CCCN1C(=O)C12CC[N@@H+](C1)CCC2)C(=O)C1=CC(=O)[N-]O1	REAL300029584642	1	52	0.0	-63.48	358.40	4.58	-58.90
CCCCCC[N@H+](C)CC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029584681	0	59	0.0	-74.93	444.66	7.06	-67.87
CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029584681	1	59	0.0	-75.69	445.36	7.03	-68.66
CC1CC[NH+](CC(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029584727	0	54	0.0	-74.62	403.21	5.81	-68.81
CN(C[C@@H]1CCCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029584752	1	49	0.0	-65.41	384.51	5.05	-60.36
CN(C[C@@H]1CCCN1C(=O)COC1CC[NH+](C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029584759	0	55	0.0	-85.64	421.53	5.40	-80.24
CN(C[C@@H]1CCCN1C(=O)C1CC2CCCC[N@@H+]2C1)C(=O)C1=CC(=O)[N-]O1	REAL300029584817	0	55	0.0	-74.43	406.32	5.89	-68.54
CN(C[C@@H]1CCCN1C(=O)C1CC2CCCC[N@H+]2C1)C(=O)C1=CC(=O)[N-]O1	REAL300029584817	1	55	0.0	-72.85	406.45	5.99	-66.86
CN(C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029584829	0	51	0.0	-63.74	364.08	5.47	-58.27
CC1=[NH+]C=C2CCC(C(=O)N3CCC[C@H]3CN(C)C(=O)C3=CC(=O)[N-]O3)CN21	REAL300029584830	1	53	0.0	-65.05	403.16	5.81	-59.24
CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029584840	0	57	0.0	-72.34	414.77	5.94	-66.40
CC[N@H+](C)CCC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029584874	0	50	0.0	-72.41	380.59	4.68	-67.73
CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029584874	1	50	0.0	-77.94	381.71	4.51	-73.43
CN(C[C@@H]1CCCN1C(=O)C1C[NH+]2CCC1CC2)C(=O)C1=CC(=O)[N-]O1	REAL300029584919	0	52	0.0	-83.94	378.13	4.78	-79.16
CN(C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029585001	0	51	0.0	-74.46	381.03	4.78	-69.68
CN(C[C@@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029585088	0	58	0.0	-74.64	430.25	7.00	-67.64
CC[NH+](CC)CC(F)C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029585131	0	53	0.0	-69.28	398.01	5.10	-64.18
CC(C)C[N@@H+]1CCC(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029585165	0	57	0.0	-71.03	420.85	6.18	-64.85
CC(C)C[N@H+]1CCC(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029585165	1	57	0.0	-71.23	422.51	6.14	-65.09
CCC(C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300029585194	0	56	0.0	-64.10	402.36	5.56	-58.54
CC1CCC[N@@H+]1CC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029585219	0	51	0.0	-67.06	379.46	4.77	-62.29
CC1CCC[N@H+]1CC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029585219	1	51	0.0	-67.64	384.82	5.09	-62.55
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029585296	1	55	0.0	-71.26	427.04	6.45	-64.81
CC(C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300029585300	0	57	0.0	-65.99	408.40	5.75	-60.24
CC(C)[N@@H+]1CCCC1C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029585331	0	54	0.0	-66.34	386.76	5.47	-60.87
CC(C)[N@H+]1CCCC1C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029585331	1	54	0.0	-67.41	390.84	5.78	-61.63
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029585340	0	57	0.0	-62.81	409.85	5.98	-56.83
CC(C)[N@H+]1CCCC1CC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029585340	1	57	0.0	-56.65	397.78	6.52	-50.13
CC1CC[N@H+](CC(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029585386	0	51	0.0	-70.12	385.78	5.13	-64.99
CC1CC[N@@H+](CC(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029585386	1	51	0.0	-69.76	386.63	5.17	-64.59
CN(C[C@@H]1CCCN1C(=O)C1(F)CC[N@@H+](C(C)(C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029585387	0	57	0.0	-69.33	418.86	5.51	-63.82
CN(C[C@@H]1CCCN1C(=O)C1(F)CC[N@H+](C(C)(C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029585387	1	57	0.0	-38.93	392.46	6.90	-32.03
CC1=[NH+]C=C2CC(C(=O)N3CCC[C@H]3CN(C)C(=O)C3=CC(=O)[N-]O3)CCN21	REAL300029585388	1	53	0.0	-67.69	405.65	5.90	-61.79
CN(C[C@@H]1CCCN1C(=O)C[N@@H+]1CCC(C)(C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029585391	0	54	0.0	-69.57	404.85	5.63	-63.94
CN(C[C@@H]1CCCN1C(=O)C[N@H+]1CCC(C)(C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029585391	1	54	0.0	-69.87	406.04	5.63	-64.24
CN(C[C@@H]1CCCN1C(=O)C[N@H+](C)CC(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL300029585392	0	56	0.0	-73.45	411.32	5.86	-67.59
CN(C[C@@H]1CCCN1C(=O)C[N@@H+](C)CC(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL300029585392	1	56	0.0	-74.05	407.86	5.78	-68.27
CC[C@@H](C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029585401	0	50	0.0	-67.27	365.96	4.20	-63.07
CC(COCC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCC1	REAL300029585408	0	58	0.0	-56.44	419.63	5.99	-50.45
CN(C[C@@H]1CCCN1C(=O)CCN(C)C1=CC=[NH+]C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029585553	0	53	0.0	-74.86	416.06	4.95	-69.91
CC1=[NH+]C=CN1CC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029585661	1	46	0.0	-43.78	342.73	6.61	-37.17
CC(C[NH+]1CCOCC1)C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029585663	1	55	0.0	-72.67	407.66	3.88	-68.79
CN(C[C@@H]1CCCN1C(=O)CCC[NH+]1CCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029585681	0	57	0.0	-71.74	426.11	6.67	-65.07
CN(C[C@@H]1CCCN1C(=O)C1=NOC(C[NH+](C)C)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029585696	1	50	0.0	-77.50	396.43	4.67	-72.83
CC1=C(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300029585698	0	49	0.0	-71.01	379.24	7.55	-63.46
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029585744	1	52	0.0	-66.82	385.46	5.89	-60.93
CN(C[C@@H]1CCCN1C(=O)C1CCCC2CCC[N@@H+]21)C(=O)C1=CC(=O)[N-]O1	REAL300029585791	0	55	0.0	-66.75	392.23	5.54	-61.21
CN(C[C@@H]1CCCN1C(=O)C1CCCC2CCC[N@H+]21)C(=O)C1=CC(=O)[N-]O1	REAL300029585791	1	55	0.0	-67.17	396.35	5.73	-61.44
CC[N@@H+]1CCOC(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029585822	1	52	0.0	-72.40	384.19	4.11	-68.29
CC[N@H+]1CCOC(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029585822	1	52	0.0	-70.67	384.20	4.06	-66.61
CN(C[C@@H]1CCCN1C(=O)C1=CN2C=[NH+]C=C2C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029585884	0	46	0.0	-59.97	355.82	7.12	-52.85
CC1=C[NH+]=CN1CC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029585889	1	46	0.0	-49.34	340.83	7.19	-42.15
CN(C[C@@H]1CCCN1C(=O)C1=CN(CC[NH+](C)C)N=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029585894	0	54	0.0	-64.72	409.53	5.09	-59.63
CN(C[C@@H]1CCCN1C(=O)C1=NN(CC[NH+](C)C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029585907	0	54	0.0	-95.34	423.68	5.00	-90.34
C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029585914	0	51	0.0	-74.34	375.49	4.31	-70.03
C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029585914	1	51	0.0	-60.52	369.69	5.60	-54.92
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029585916	1	55	0.0	-71.79	428.09	6.61	-65.18
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029585919	0	54	0.0	-72.46	394.89	4.92	-67.54
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029585919	1	54	0.0	-70.43	397.21	5.47	-64.96
CC1CCC(C)[NH+]1CC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029585935	0	54	0.0	-56.32	389.62	6.12	-50.20
CN(C[C@@H]1CCCN1C(=O)CCC[NH+]1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029585942	0	54	0.0	-71.33	410.32	5.98	-65.35
CN(C[C@@H]1CCCN1C(=O)C1=CC(C[NH+](C)C)=CC=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029585943	0	54	0.0	-65.09	404.23	7.11	-57.98
C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029585949	0	53	0.0	-75.65	406.27	6.00	-69.65
CN(C[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029585950	0	54	0.0	-76.89	405.62	5.73	-71.16
CN(C[C@@H]1CCCN1C(=O)CN1C=[NH+]C2=C1CCCC2)C(=O)C1=CC(=O)[N-]O1	REAL300029585968	1	53	0.0	-49.15	381.27	8.87	-40.28
CN(C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029586001	0	60	0.0	-71.21	411.44	6.60	-64.61
CN(C[C@@H]1CCCN1C(=O)CC[N@H+](C)C1CCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029586005	0	60	0.0	-79.11	440.02	6.90	-72.21
CN(C[C@@H]1CCCN1C(=O)CC[N@@H+](C)C1CCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029586005	1	60	0.0	-78.98	440.03	6.91	-72.07
CN(C[C@@H]1CCCN1C(=O)CC1([NH+](C)C)CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029586008	0	57	0.0	-63.51	390.96	6.29	-57.22
CN(C[C@@H]1CCCN1C(=O)C[N@H+](C)C1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029586205	0	51	0.0	-71.63	386.76	5.32	-66.31
CN(C[C@@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029586205	1	51	0.0	-72.59	387.75	5.32	-67.27
CC(C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300029586230	0	57	0.0	-64.79	413.34	5.85	-58.94
CN(C[C@@H]1CCCN1C(=O)CCCC[NH+]1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029586249	0	57	0.0	-71.66	431.94	6.74	-64.92
CN(C[C@@H]1CCCN1C(=O)C[N@H+](C)CC1=CC=CC=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029586252	1	54	0.0	-78.68	417.36	6.96	-71.72
CN(C[C@@H]1CCCN1C(=O)C[N@@H+](C)CC1=CC=CC=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029586252	1	54	0.0	-78.58	417.67	6.90	-71.68
CN(C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029586267	0	51	0.0	-74.46	381.03	4.78	-69.68
CN(C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029586319	0	48	0.0	-71.45	361.98	4.21	-67.24
CN(C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029586319	1	48	0.0	-68.53	358.83	3.87	-64.66
CN(C[C@@H]1CCCN1C(=O)CCC1CCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029586350	0	54	0.0	-82.49	405.22	5.66	-76.83
CN(C[C@@H]1CCCN1C(=O)CCC1CCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029586350	1	54	0.0	-70.31	402.09	5.45	-64.86
CN(C[C@@H]1CCCN1C(=O)C1CCC2CCCC[N@@H+]21)C(=O)C1=CC(=O)[N-]O1	REAL300029586366	0	55	0.0	-70.76	407.91	6.12	-64.64
CN(C[C@@H]1CCCN1C(=O)C1CCC2CCCC[N@H+]21)C(=O)C1=CC(=O)[N-]O1	REAL300029586366	1	55	0.0	-66.06	400.30	5.84	-60.22
CCC[N@@H+]1CCCC(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029586443	0	57	0.0	-51.07	408.89	6.76	-44.31
CCC[N@H+]1CCCC(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029586443	1	57	0.0	-70.26	420.24	6.15	-64.11
CC(C)[N@@H+]1CCOC(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029586459	1	55	0.0	-75.40	408.16	4.77	-70.63
CC(C)[N@H+]1CCOC(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029586459	1	55	0.0	-68.53	400.57	4.56	-63.97
CN(C[C@@H]1CCCN1C(=O)C[NH+]1CCC(CO)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029586533	0	55	0.0	-77.99	413.91	2.53	-75.46
CN(C[C@@H]1CCCN1C(=O)C=C1CC2CCC(C1)[NH+]2C)C(=O)C1=CC(=O)[N-]O1	REAL300029586570	0	56	0.0	-70.56	412.40	6.34	-64.22
CC1C(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029586588	0	51	0.0	-53.04	351.82	6.44	-46.60
CC1C(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029586588	1	51	0.0	-69.45	378.65	4.45	-65.00
CN(C[C@@H]1CCCN1C(=O)CCC1CCCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029586592	0	57	0.0	-69.54	421.91	6.31	-63.23
CN(C[C@@H]1CCCN1C(=O)CCC1CCCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029586592	1	57	0.0	-73.06	414.49	6.15	-66.91
CN(C[C@@H]1CCCN1C(=O)C1=CC2=C(CCC2)[NH+]=C1N)C(=O)C1=CC(=O)[N-]O1	REAL300029586625	1	51	0.0	-61.68	394.59	4.15	-57.53
CN(C[C@@H]1CCCN1C(=O)C1CC[N@@H+]1C(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL300029586691	0	54	0.0	-66.66	380.26	4.92	-61.74
CN(C[C@@H]1CCCN1C(=O)C1CC[N@H+]1C(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL300029586691	1	54	0.0	-72.15	401.47	5.01	-67.14
CN(C[C@@H]1CCCN1C(=O)C1CCN(C2=CC=[NH+]C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029586709	0	54	0.0	-71.84	412.75	3.73	-68.11
C[C@@H](C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029586714	0	47	0.0	-68.71	354.02	3.65	-65.06
CN(C[C@@H]1CCCN1C(=O)C1=CC=NC(C[NH+](C)C)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029586734	1	53	0.0	-52.05	400.04	5.61	-46.44
C=CCC(C)(C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029586740	0	54	0.0	-59.42	367.71	5.03	-54.39
CC[NH+](CC)CCSCC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029586773	0	57	0.0	-73.25	442.56	6.75	-66.50
CN(C[C@@H]1CCCN1C(=O)C1=C(N)C2=CC=CC=C2[NH+]=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029586774	1	50	0.0	-53.17	381.78	4.21	-48.96
CN(C[C@@H]1CCCN1C(=O)CC[NH+]1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029586779	0	51	0.0	-77.49	388.92	4.96	-72.53
CN(C[C@@H]1CCCN1C(=O)C[N@H+](C)CCO)C(=O)C1=CC(=O)[N-]O1	REAL300029586788	1	48	0.0	-75.34	369.71	0.70	-74.64
CN(C[C@@H]1CCCN1C(=O)C[N@@H+](C)CCO)C(=O)C1=CC(=O)[N-]O1	REAL300029586788	1	48	0.0	-74.08	367.64	1.08	-73.00
CN(C[C@@H]1CCCN1C(=O)C1C[N@@H+]2CCN1CCC2)C(=O)C1=CC(=O)[N-]O1	REAL300029586826	0	54	0.0	-79.58	383.03	2.88	-76.70
CN(C[C@@H]1CCCN1C(=O)C1C[N@H+]2CCN1CCC2)C(=O)C1=CC(=O)[N-]O1	REAL300029586826	1	54	0.0	-76.12	383.73	2.37	-73.75
CC(C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300029586853	1	52	0.0	-71.44	390.96	5.01	-66.43
CN(C[C@@H]1CCCN1C(=O)CC1=CC[N@H+](C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029586897	0	52	0.0	-73.49	400.40	5.68	-67.81
CN(C[C@@H]1CCCN1C(=O)CC1=CC[N@@H+](C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029586897	1	52	0.0	-70.82	399.65	5.72	-65.10
CN(C[C@@H]1CCCN1C(=O)C(O)CC[S+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300029586912	0	50	0.0	-74.13	400.20	2.72	-71.41
CN(C[C@@H]1CCCN1C(=O)C1CN(C)CC[N@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029586951	0	56	0.0	-48.57	396.73	3.92	-44.65
CN(C[C@@H]1CCCN1C(=O)C1CN(C)CC[N@@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029586951	1	56	0.0	-72.46	405.11	3.00	-69.46
CC(C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300029586952	0	55	0.0	-69.33	410.29	2.21	-67.12
CC(C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)[N@H+]1CCCC(O)C1	REAL300029586952	1	55	0.0	-58.61	387.94	2.51	-56.10
CN(C[C@@H]1CCCN1C(=O)CC1(O)CCC[N@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029586991	0	55	0.0	-70.52	399.37	3.71	-66.81
CN(C[C@@H]1CCCN1C(=O)CC1(O)CCC[N@@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029586991	1	55	0.0	-66.58	401.12	3.46	-63.12
CC1C[NH+](CC(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029586997	1	48	0.0	-75.31	369.83	4.38	-70.93
CC[N@@H+]1CCCC(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029587003	0	54	0.0	-69.77	399.32	5.47	-64.30
CC[N@H+]1CCCC(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029587003	1	54	0.0	-41.91	376.99	5.91	-36.00
CN(C[C@@H]1CCCN1C(=O)CC1=CC=C[NH+]=C1N)C(=O)C1=CC(=O)[N-]O1	REAL300029587014	0	47	0.0	-70.66	375.32	3.15	-67.51
CN(C[C@@H]1CCCN1C(=O)C1CCC[N@@H+]1C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029587027	0	52	0.0	-68.82	391.73	5.33	-63.49
CN(C[C@@H]1CCCN1C(=O)C1CCC[N@H+]1C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029587027	1	52	0.0	-64.31	389.66	5.52	-58.79
CN(C[C@@H]1CCCN1C(=O)C=CC[NH+]1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029587077	0	52	0.0	-80.50	401.87	5.61	-74.89
CN(C[C@@H]1CCCN1C(=O)C1CC[NH+](C2CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029587102	0	55	0.0	-60.98	392.36	6.92	-54.06
CC[N@H+](C)CC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029587147	0	47	0.0	-73.73	358.38	4.03	-69.70
CN(C[C@@H]1CCCN1C(=O)CN1CC2C=CC1C2)C(=O)C1=CC(=O)[N-]O1	REAL300029587212	0	50	0.0	-66.20	379.61	5.27	-60.93
CN(C[C@@H]1CCCN1C(=O)C[N@@H+]1CC2C=CC1C2)C(=O)C1=CC(=O)[N-]O1	REAL300029587212	1	50	0.0	-72.53	379.79	5.29	-67.24
CN(C[C@@H]1CCCN1C(=O)C[N@H+]1CC2C=CC1C2)C(=O)C1=CC(=O)[N-]O1	REAL300029587212	1	50	0.0	-72.53	379.79	5.29	-67.24
CC1=CC=C(NCCC(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)N=C1	REAL300029587235	0	53	0.0	-72.59	419.24	4.75	-67.84
CC1=CC=C(NCCC(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)[NH+]=C1	REAL300029587235	1	53	0.0	-72.59	419.24	4.75	-67.84
CC(OCC[NH+](C)C)C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029587371	0	54	0.0	-67.83	412.22	4.93	-62.90
CN(C[C@@H]1CCCN1C(=O)CCOCC[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300029587383	0	54	0.0	-78.01	418.43	4.09	-73.92
COCCN(C)CC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029587385	0	51	0.0	-74.52	389.88	3.49	-71.03
COCC[N@H+](C)CC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029587385	1	51	0.0	-75.66	391.96	3.10	-72.56
COCC[N@@H+](C)CC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029587385	1	51	0.0	-75.66	391.96	3.10	-72.56
CC(CCC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029587392	0	53	0.0	-70.71	397.31	5.17	-65.54
CC[N@H+](CC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029587427	0	51	0.0	-46.72	377.48	6.01	-40.71
CC1C[N@@H+]2CCN1C(C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300029587438	0	54	0.0	-88.25	389.58	2.03	-86.22
CC1=NC(N)=CC=C1C=CC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029587480	0	51	0.0	-69.63	404.79	4.06	-65.57
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029587480	1	51	0.0	-69.63	404.79	4.06	-65.57
CN(C[C@@H]1CCCN1C(=O)C[N@@H+]1CC2CCC1C2)C(=O)C1=CC(=O)[N-]O1	REAL300029587488	0	52	0.0	-68.45	386.60	5.48	-62.97
CN(C[C@@H]1CCCN1C(=O)C[N@H+]1CC2CCC1C2)C(=O)C1=CC(=O)[N-]O1	REAL300029587488	1	52	0.0	-68.45	386.60	5.48	-62.97
CC(C)[NH+]1CCC(CC(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029587502	0	60	0.0	-72.81	434.23	6.68	-66.13
CC(C[NH+](C)C)C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029587516	0	50	0.0	-72.00	374.88	4.38	-67.62
CCN1CCC1C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029587568	0	48	0.0	-52.89	345.91	4.43	-48.46
CC[N@@H+]1CCC1C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029587568	1	48	0.0	-68.18	362.91	3.98	-64.20
CC[N@H+]1CCC1C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029587568	1	48	0.0	-68.18	362.91	3.98	-64.20
CC(C)[N@@H+]1CCCC(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029587581	0	57	0.0	-64.15	409.15	6.15	-58.00
CC(C)[N@H+]1CCCC(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029587581	1	57	0.0	-64.15	409.15	6.15	-58.00
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029587599	0	56	0.0	-66.06	402.16	3.72	-62.34
C#CCN1CCCCC1C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029587649	0	53	0.0	-66.57	386.78	6.36	-60.21
C#CC[N@H+]1CCCCC1C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029587649	1	53	0.0	-68.25	398.32	5.86	-62.39
C#CC[N@@H+]1CCCCC1C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029587649	1	53	0.0	-68.25	398.32	5.86	-62.39
CNC1=NC(C)=CC=C1C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029587652	0	50	0.0	-52.09	378.68	4.57	-47.52
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029587652	1	50	0.0	-52.09	378.68	4.57	-47.52
CCCC(C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029587665	0	53	0.0	-72.39	391.60	5.05	-67.34
CC(CC[NH+](C)C)C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029587693	0	53	0.0	-71.48	397.84	5.07	-66.41
CN(C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C1=CC(=O)[N-]O1	REAL300029587751	0	58	0.0	-63.87	411.81	6.61	-57.26
CN(C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)C1=CC(=O)[N-]O1	REAL300029587751	1	58	0.0	-63.87	411.81	6.61	-57.26
COCCCC[N@H+](C)CCC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029587828	0	60	0.0	-76.96	457.26	5.25	-71.71
COCCCC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029587828	1	60	0.0	-76.96	457.26	5.25	-71.71
CN(C[C@@H]1CCCN1C(=O)C1CC(C)(C)C[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029587838	0	54	0.0	-74.23	401.33	5.03	-69.20
CN(C[C@@H]1CCCN1C(=O)C1CC(C)(C)C[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029587838	1	54	0.0	-74.23	401.33	5.03	-69.20
CN(C[C@@H]1CCCN1C(=O)CCCCC[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300029587844	0	56	0.0	-79.89	428.47	6.20	-73.69
CN(C[C@@H]1CCCN1C(=O)CC[NH+]1CCC(O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029587849	0	55	0.0	-75.59	415.13	2.50	-73.09
CCC[N@@H+]1CCCCC1C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029587854	0	57	0.0	-68.11	411.96	6.11	-62.00
CCC[N@H+]1CCCCC1C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029587854	1	57	0.0	-65.61	419.85	6.28	-59.33
CC[NH+]1CCN(CCC(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029587863	0	59	0.0	-80.77	438.56	3.76	-77.01
CCN1CC[NH+](CCC(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029587863	1	59	0.0	-78.25	440.20	3.96	-74.29
CN(C[C@@H]1CCCN1C(=O)CN1CC[NH+](C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029587867	1	53	0.0	-75.84	400.61	2.76	-73.08
CC(C)C[NH+]1CCC(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029587991	0	60	0.0	-74.73	437.34	6.87	-67.86
CC1C[N@H+](C)CC(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)O1	REAL300029587994	1	52	0.0	-80.66	369.75	5.96	-74.70
CC1C[N@@H+](C)CC(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)O1	REAL300029587994	1	52	0.0	-69.07	375.61	4.42	-64.65
CCC1CCC[N@H+](CC(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029588030	0	57	0.0	-70.79	422.15	6.52	-64.27
CCC1CCC[N@@H+](CC(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029588030	1	57	0.0	-74.84	422.64	6.40	-68.44
CN(C[C@@H]1CCCN1C(=O)C1=CC=C(C[NH+](C)C)N1)C(=O)C1=CC(=O)[N-]O1	REAL300029588040	0	52	0.0	-80.22	403.60	4.72	-75.50
CN(C[C@@H]1CCCN1C(=O)C[NH+]1CC2CC2C1)C(=O)C1=CC(=O)[N-]O1	REAL300029588062	0	49	0.0	-74.92	377.36	5.16	-69.76
CN(C[C@@H]1CCCN1C(=O)CC1([NH+]2CCCC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029588080	0	55	0.0	-45.74	383.79	7.82	-37.92
CC([NH2+]C1(CO)CCCC1)C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029588097	0	58	0.0	-72.89	406.14	0.77	-72.12
CN(C[C@@H]1CCCN1C(=O)C1CCCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029588126	0	51	0.0	-64.90	352.89	4.79	-60.11
CN(C[C@@H]1CCCN1C(=O)C1CCCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029588126	1	51	0.0	-66.91	380.91	4.93	-61.98
CN(C[C@@H]1CCCN1C(=O)C1CC[N@@H+]1CC1=CC=CC=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029588132	1	55	0.0	-68.97	423.75	6.99	-61.98
CN(C[C@@H]1CCCN1C(=O)C1CC[N@H+]1CC1=CC=CC=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029588132	1	55	0.0	-79.95	432.80	7.24	-72.71
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029588139	0	60	0.0	-70.73	439.13	6.92	-63.81
CC(C)C[N@H+]1CCCC(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029588139	1	60	0.0	-43.59	414.89	7.58	-36.01
CN(C[C@@H]1CCCN1C(=O)CN1CCC([NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029588194	0	59	0.0	-77.22	436.04	4.11	-73.11
CN(C[C@@H]1CCCN1C(=O)C=C1CC[N@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029588259	0	49	0.0	-80.38	378.18	4.87	-75.51
CN(C[C@@H]1CCCN1C(=O)C=C1CC[N@@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029588259	1	49	0.0	-74.46	376.76	4.94	-69.52
CN(C[C@@H]1CCCN1C(=O)CNC1=CC=[NH+]C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029588266	0	47	0.0	-77.81	377.34	2.56	-75.25
CC[NH+]1CCN(CC(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029588328	0	56	0.0	-74.72	418.35	3.45	-71.27
CN(C[C@@H]1CCCN1C(=O)C=C1C[NH+]2CCC1CC2)C(=O)C1=CC(=O)[N-]O1	REAL300029588329	0	53	0.0	-67.33	395.53	5.77	-61.56
CN(C[C@@H]1CCCN1C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)C(=O)C1=CC(=O)[N-]O1	REAL300029588388	0	55	0.0	-68.74	411.52	2.59	-66.15
CN(C[C@@H]1CCCN1C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)C(=O)C1=CC(=O)[N-]O1	REAL300029588388	1	55	0.0	-67.73	412.22	2.59	-65.14
CN(C[C@@H]1CCCN1C(=O)C1C[NH+](C2CCOCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029588397	0	56	0.0	-56.02	403.76	4.61	-51.41
CN(C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029588412	0	48	0.0	-73.38	360.36	3.81	-69.57
CN(C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029588412	1	48	0.0	-66.96	364.00	4.27	-62.69
CCN1CCOCC1CC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029588450	0	55	0.0	-67.32	400.66	3.47	-63.85
CC[N@@H+]1CCOCC1CC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029588450	1	55	0.0	-70.75	405.50	3.61	-67.14
CC[N@H+]1CCOCC1CC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029588450	1	55	0.0	-70.75	405.50	3.61	-67.14
CN(C[C@@H]1CCCN1C(=O)C1C[NH+](C2CCCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029588476	0	58	0.0	-77.69	431.99	6.59	-71.10
CN(C[C@@H]1CCCN1C(=O)C1=CC=C2NC(N)=NC2=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029588552	0	48	0.0	-61.95	370.20	4.90	-57.05
CN(C[C@@H]1CCCN1C(=O)C1=CC=C2NC(N)=[NH+]C2=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029588552	1	48	0.0	-61.95	370.20	4.90	-57.05
CN(C[C@@H]1CCCN1C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029588597	0	51	0.0	-70.85	388.63	5.09	-65.76
CC1CCCC(C)[NH+]1CCC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029588609	0	60	0.0	-73.71	431.63	6.45	-67.26
CN(C[C@@H]1CCCN1C(=O)C1CCC([NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029588612	0	57	0.0	-75.04	414.07	5.86	-69.18
CN(C[C@@H]1CCCN1C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029588616	0	57	0.0	-67.54	408.73	5.84	-61.70
CN(C[C@@H]1CCCN1C(=O)CC1CC=CC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029588617	0	52	0.0	-64.61	387.21	5.36	-59.25
CN(C[C@@H]1CCCN1C(=O)CC1CC=CC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029588617	1	52	0.0	-65.76	387.60	5.36	-60.40
CC1=CC(C=CC(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)=C[NH+]=C1N	REAL300029588679	1	51	0.0	-72.54	404.98	4.36	-68.18
CN(C[C@@H]1CCCN1C(=O)COCC[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300029588694	0	51	0.0	-76.45	397.49	4.36	-72.09
CCCCC[N@H+](C)CCC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029588701	0	59	0.0	-74.08	445.09	6.98	-67.10
CCCCC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029588701	1	59	0.0	-74.06	445.09	6.96	-67.10
CN(C[C@@H]1CCCN1C(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1)C(=O)C1=CC(=O)[N-]O1	REAL300029588713	0	55	0.0	-75.33	408.49	5.52	-69.81
CN(C[C@@H]1CCCN1C(=O)CN1C=CSC1=[NH2+])C(=O)C1=CC(=O)[N-]O1	REAL300029588739	0	44	0.0	-69.71	367.84	3.40	-66.31
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029588818	0	54	0.0	-68.01	412.09	4.94	-63.07
CN(C[C@@H]1CCCN1C(=O)CC[NH+]1CCCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029588876	0	57	0.0	-73.85	414.63	6.05	-67.80
CN(C[C@@H]1CCCN1C(=O)C[NH+]1CCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029588880	0	51	0.0	-70.08	382.23	5.27	-64.81
CN(C[C@@H]1CCCN1C(=O)C1CCC[N@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029588882	0	51	0.0	-64.58	375.54	5.03	-59.55
CN(C[C@@H]1CCCN1C(=O)C1CCC[N@@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029588882	1	51	0.0	-64.91	374.24	4.91	-60.00
CN(C[C@@H]1CCCN1C(=O)C[NH+]1CCC(CO)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029588884	0	55	0.0	-77.99	413.91	2.53	-75.46
CN(C[C@@H]1CCCN1C(=O)C[NH+]1CCCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029588890	0	54	0.0	-73.27	391.46	5.37	-67.90
CN(C[C@@H]1CCCN1C(=O)C[N+]1=CN(C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029588897	0	46	0.0	-70.80	370.57	6.72	-64.08
CN(C[C@@H]1CCCN1C(=O)C1=CC=C(C[NH+](C)C)O1)C(=O)C1=CC(=O)[N-]O1	REAL300029588915	1	51	0.0	-89.58	403.54	5.12	-84.46
CN(C[C@@H]1CCCN1C(=O)C1=CC=C(C[NH+](C)C)N=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029588923	0	53	0.0	-67.87	399.37	5.65	-62.22
CN(C[C@@H]1CCCN1C(=O)C[NH+]1CCC(O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029588937	0	52	0.0	-78.10	393.46	1.85	-76.25
CN(C[C@@H]1CCCN1C(=O)C[N@H+](C)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029588944	0	48	0.0	-71.24	370.08	4.77	-66.47
CN(C[C@@H]1CCCN1C(=O)C[N@@H+](C)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029588944	1	48	0.0	-70.95	370.79	4.72	-66.23
CC(C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300029588946	1	56	0.0	-70.38	411.29	3.06	-67.32
CN(C[C@@H]1CCCN1C(=O)CC[N@@H+]1CCC(F)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029588951	0	51	0.0	-76.74	394.11	5.14	-71.60
CN(C[C@@H]1CCCN1C(=O)CC[N@H+]1CCC(F)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029588951	1	51	0.0	-76.53	394.72	5.20	-71.33
CC(CC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029588986	0	53	0.0	-78.12	398.79	5.34	-72.78
CN(C[C@@H]1CCCN1C(=O)C1CC[N@@H+]2CCOCC12)C(=O)C1=CC(=O)[N-]O1	REAL300029589006	0	53	0.0	-68.08	390.72	3.49	-64.59
CN(C[C@@H]1CCCN1C(=O)C1CC[N@H+]2CCOCC12)C(=O)C1=CC(=O)[N-]O1	REAL300029589006	1	53	0.0	-80.38	398.24	3.58	-76.80
CC1=[NH+]C=C2C=CC(C(=O)N3CCC[C@H]3CN(C)C(=O)C3=CC(=O)[N-]O3)=CN21	REAL300029589014	0	49	0.0	-58.21	376.82	7.13	-51.08
CN(C[C@@H]1CCCN1C(=O)CC1COCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029589035	1	52	0.0	-76.94	390.93	3.27	-73.67
CN(C[C@@H]1CCCN1C(=O)CC1COCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029589035	1	52	0.0	-76.71	390.29	3.25	-73.46
CC[NH+]1CCN(CC(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029589046	0	56	0.0	-74.72	418.35	3.45	-71.27
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029589100	1	47	0.0	-58.43	359.88	3.21	-55.22
CN(C[C@@H]1CCCN1C(=O)CCC1=CC=C(N)[NH+]=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029589103	0	50	0.0	-77.43	400.62	3.80	-73.63
CN(C[C@@H]1CCCN1C(=O)C[N@@H+]1CCC(C)(O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029589157	0	52	0.0	-69.11	396.48	1.80	-67.31
CN(C[C@@H]1CCCN1C(=O)C[N@H+]1CCC(C)(O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029589157	1	52	0.0	-70.75	397.39	1.78	-68.97
CN(C[C@@H]1CCCN1C(=O)C1=CC=NN1CC[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300029589167	0	54	0.0	-44.93	406.94	4.83	-40.10
CN(C[C@@H]1CCCN1C(=O)CC1C[NH+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029589198	0	48	0.0	-77.03	372.89	4.12	-72.91
CN(C[C@@H]1CCCN1C(=O)C1CC[N@@H+]1C1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029589204	0	55	0.0	-68.67	406.90	5.97	-62.70
CN(C[C@@H]1CCCN1C(=O)C1CC[N@H+]1C1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029589204	1	55	0.0	-69.16	406.10	5.91	-63.25
CN(C[C@@H]1CCCN1C(=O)C[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300029589214	0	44	0.0	-71.24	340.49	3.40	-67.84
CN(C[C@@H]1CCCN1C(=O)CC[N@H+](C)CCO)C(=O)C1=CC(=O)[N-]O1	REAL300029589255	0	51	0.0	-71.98	390.95	1.45	-70.53
CN(C[C@@H]1CCCN1C(=O)CC[N@@H+](C)CCO)C(=O)C1=CC(=O)[N-]O1	REAL300029589255	1	51	0.0	-71.83	390.65	1.45	-70.38
C[C@@H](C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029589256	0	47	0.0	-68.71	354.02	3.65	-65.06
CN(C[C@@H]1CCCN1C(=O)CC1CCCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029589276	0	54	0.0	-63.73	393.50	5.46	-58.27
CN(C[C@@H]1CCCN1C(=O)CC1CCCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029589276	1	54	0.0	-72.68	397.94	5.42	-67.26
CC1=C2C=C(C(=O)N3CCC[C@H]3CN(C)C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029589302	1	49	0.0	-67.07	377.95	7.68	-59.39
CC(C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300029589303	0	51	0.0	-68.04	384.37	4.82	-63.22
CC1CC[N@@H+]1CC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029589308	1	48	0.0	-68.14	365.82	4.23	-63.91
CC1CC[N@H+]1CC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029589308	1	48	0.0	-67.97	366.29	4.19	-63.78
CN(C[C@@H]1CCCN1C(=O)C=CC[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300029589323	0	48	0.0	-81.01	377.94	4.62	-76.39
CN(C[C@@H]1CCCN1C(=O)C[NH+]1CC(C)(C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029589337	1	51	0.0	-75.23	392.26	4.91	-70.32
CN(C[C@@H]1CCCN1C(=O)CCCC[NH+]1CCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029589351	0	60	0.0	-71.68	447.61	7.44	-64.24
CC1=C(C)[NH+]=C(CCC(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)N1	REAL300029589364	1	52	0.0	-66.05	410.73	4.73	-61.32
CN(C[C@@H]1CCCN1C(=O)C1(C2CC[NH+](C)CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029589374	0	58	0.0	-70.66	414.14	6.94	-63.72
CC1=C2C=C(C(=O)N3CCC[C@H]3CN(C)C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029589383	1	49	0.0	-67.07	377.95	7.68	-59.39
CN(C[C@@H]1CCCN1C(=O)CSCC[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300029589393	0	51	0.0	-84.36	408.51	5.25	-79.11
CN(C[C@@H]1CCCN1C(=O)C1=CC2=C(CCCC2)[NH+]=C1N)C(=O)C1=CC(=O)[N-]O1	REAL300029589415	1	54	0.0	-51.13	401.29	5.35	-45.78
CN(C[C@@H]1CCCN1C(=O)C[N@@H+]1CCCC1CO)C(=O)C1=CC(=O)[N-]O1	REAL300029589423	0	52	0.0	-66.86	386.00	1.91	-64.95
CN(C[C@@H]1CCCN1C(=O)C[N@H+]1CCCC1CO)C(=O)C1=CC(=O)[N-]O1	REAL300029589423	1	52	0.0	-69.73	390.40	1.44	-68.29
CC[NH+](CC)CC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029589426	0	50	0.0	-72.11	372.08	4.39	-67.72
CN(C[C@@H]1CCCN1C(=O)C[N@H+](C)C1CCSC1)C(=O)C1=CC(=O)[N-]O1	REAL300029589439	0	52	0.0	-79.89	399.91	5.58	-74.31
CN(C[C@@H]1CCCN1C(=O)C[N@@H+](C)C1CCSC1)C(=O)C1=CC(=O)[N-]O1	REAL300029589439	1	52	0.0	-79.07	400.89	5.59	-73.48
CN(C[C@@H]1CCCN1C(=O)C[NH+]1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL300029589441	1	45	0.0	-70.88	350.79	3.88	-67.00
CC[NH+](CC)CCC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029589486	0	53	0.0	-71.24	397.63	5.37	-65.87
CN(C[C@@H]1CCCN1C(=O)C[NH+]1CCC(C(N)=O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029589508	0	55	0.0	-57.14	397.73	1.94	-55.20
CN(C[C@@H]1CCCN1C(=O)C1=CC(C[NH+](C)C)=CN1)C(=O)C1=CC(=O)[N-]O1	REAL300029589554	0	52	0.0	-74.23	403.13	4.81	-69.42
CC(C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300029589574	0	55	0.0	-70.60	401.45	1.92	-68.68
CN(C[C@@H]1CCCN1C(=O)C1CC2COCC[N@@H+]2C1)C(=O)C1=CC(=O)[N-]O1	REAL300029589580	0	53	0.0	-74.37	395.67	3.49	-70.88
CN(C[C@@H]1CCCN1C(=O)C1CC2COCC[N@H+]2C1)C(=O)C1=CC(=O)[N-]O1	REAL300029589580	1	53	0.0	-74.51	396.90	3.54	-70.97
CC(C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300029589596	0	48	0.0	-68.02	363.42	4.15	-63.87
CCC(CC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029589606	0	56	0.0	-79.55	412.17	5.82	-73.73
CN(C[C@@H]1CCCN1C(=O)C=CC1=CC=C(N)[NH+]=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029589613	0	48	0.0	-73.62	387.17	3.61	-70.01
CN(C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029589678	0	51	0.0	-66.11	380.41	4.89	-61.22
CN(C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300029589678	1	51	0.0	-76.95	373.25	4.59	-72.36
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029589692	0	54	0.0	-74.67	389.95	2.09	-72.58
CC1CN2CC[N@H+]1CC2C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029589692	1	54	0.0	-73.68	389.22	2.00	-71.68
CN(C[C@@H]1CCCN1C(=O)CC(O)C[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300029589717	0	51	0.0	-81.42	393.00	2.47	-78.95
CN(C[C@@H]1CCCN1C(=O)C1CC2CCC(C1)[NH+]2C)C(=O)C1=CC(=O)[N-]O1	REAL300029589720	0	55	0.0	-47.85	361.02	5.02	-42.83
C=CCC(C(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029589766	0	51	0.0	-66.98	382.55	4.85	-62.13
CN(C[C@@H]1CCCN1C(=O)C1CC2CCCC[N@@H+]2C1)C(=O)C1=CC(=O)[N-]O1	REAL300029589776	0	55	0.0	-74.43	406.32	5.89	-68.54
CN(C[C@@H]1CCCN1C(=O)C1CC2CCCC[N@H+]2C1)C(=O)C1=CC(=O)[N-]O1	REAL300029589776	1	55	0.0	-72.85	406.45	5.99	-66.86
CN(C[C@@H]1CCCN1C(=O)CC1(O)CC[NH+](C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300029589792	0	55	0.0	-73.98	408.87	3.74	-70.24
COCC[N@@H+]1CCCC1CC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029589807	0	58	0.0	-61.66	430.95	5.28	-56.38
COCC[N@H+]1CCCC1CC(=O)N1CCC[C@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300029589807	1	58	0.0	-69.37	438.78	4.86	-64.51
CN(C[C@@H]1CCCN1C(=O)CC1CC2CCC(C1)[NH+]2C)C(=O)C1=CC(=O)[N-]O1	REAL300029589816	0	58	0.0	-76.93	406.88	5.79	-71.14
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=NN1CC[NH+](C)C	REAL300029589854	0	54	0.0	-67.58	415.03	4.50	-63.08
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1(C2CC[NH+](C)CC2)CC1	REAL300029589901	0	58	0.0	-76.48	424.20	6.52	-69.96
CC1=C2C=C(C(=O)N(C)C[C@@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029589913	1	49	0.0	-73.29	395.87	7.30	-65.99
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CSCC[NH+](C)C	REAL300029589924	0	51	0.0	-76.38	406.91	5.33	-71.05
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC2COCC[N@@H+]2C1	REAL300029589936	0	53	0.0	-73.38	396.05	3.53	-69.85
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC2COCC[N@H+]2C1	REAL300029589936	1	53	0.0	-70.50	394.97	3.54	-66.96
C[N@@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590102	0	53	0.0	-70.83	397.21	2.39	-68.44
C[N@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590102	1	53	0.0	-69.22	400.13	2.34	-66.88
C[N@@H+]1CCOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)C1	REAL300029590126	1	54	0.0	-76.02	400.95	1.67	-74.35
C[N@H+]1CCOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)C1	REAL300029590126	1	54	0.0	-82.10	403.90	1.55	-80.55
CC1=[NH+]C=CN1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590263	1	51	0.0	-68.46	403.08	2.88	-65.58
C[C@@H]1[C@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)CC[N@@H+]1C	REAL300029590280	0	56	0.0	-70.59	409.61	2.41	-68.18
C[C@@H]1[C@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)CC[N@H+]1C	REAL300029590280	1	56	0.0	-69.81	414.63	2.66	-67.15
C[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)C1CCC1	REAL300029590305	0	56	0.0	-68.87	419.75	3.25	-65.62
C[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)C1CCC1	REAL300029590305	1	56	0.0	-70.15	419.89	3.26	-66.89
C[NH+]1CCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)CC1	REAL300029590330	0	56	0.0	-74.55	418.23	2.94	-71.61
CC1=C[NH+]=CN1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590346	1	51	0.0	-68.61	402.34	3.58	-65.03
C[N@@H+]1CCC(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)C1	REAL300029590353	0	56	0.0	-78.67	417.21	3.00	-75.67
C[N@H+]1CCC(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)C1	REAL300029590353	1	56	0.0	-72.46	419.81	2.89	-69.57
CCC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)[NH+](C)C	REAL300029590356	0	55	0.0	-69.95	404.31	2.27	-67.68
C[NH+](C)CCCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590368	0	58	0.0	-74.07	439.01	3.40	-70.67
CCC[N@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590373	0	58	0.0	-73.66	435.20	3.23	-70.43
CCC[N@@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590373	1	58	0.0	-73.86	435.20	3.22	-70.64
CCC[N@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590374	0	55	0.0	-71.82	412.87	2.68	-69.14
CCC[N@@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590374	1	55	0.0	-71.53	412.87	2.69	-68.84
C[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590386	0	53	0.0	-72.48	390.66	1.93	-70.55
C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590386	1	53	0.0	-71.68	395.77	2.44	-69.24
CC[NH+](CC)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590394	0	55	0.0	-70.46	405.24	2.35	-68.11
C[NH+](C)CC1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)CC1	REAL300029590439	0	56	0.0	-76.07	423.34	3.17	-72.90
C[NH+]1CCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)CC1	REAL300029590457	0	56	0.0	-74.55	418.23	2.94	-71.61
CC[N@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590490	0	55	0.0	-76.16	411.78	2.69	-73.47
CC[N@@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590490	1	55	0.0	-73.07	413.74	2.48	-70.59
CC1CCC[N@@H+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590499	0	56	0.0	-69.33	419.05	3.06	-66.27
CC1CCC[N@H+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590499	1	56	0.0	-68.84	418.79	2.97	-65.87
CC1CC[N@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)C1	REAL300029590500	0	56	0.0	-74.01	416.83	3.05	-70.96
CC1CC[N@@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)C1	REAL300029590500	1	56	0.0	-74.58	416.56	3.17	-71.41
CC[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)[NH+](C)C	REAL300029590502	0	55	0.0	-71.47	407.42	2.87	-68.60
C[NH+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590532	0	49	0.0	-71.94	373.65	1.27	-70.67
CN1C=C[N+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)=C1	REAL300029590533	0	51	0.0	-67.51	404.88	4.78	-62.73
C[N@@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)C1	REAL300029590536	0	56	0.0	-72.95	418.17	2.88	-70.07
C[N@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)C1	REAL300029590536	1	56	0.0	-63.13	410.62	3.03	-60.10
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)[NH+]1CCC1	REAL300029590542	1	53	0.0	-69.72	401.85	2.35	-67.37
C[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)C1CC1	REAL300029590551	0	53	0.0	-68.90	402.89	2.67	-66.23
C[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)C1CC1	REAL300029590551	1	53	0.0	-69.58	403.05	2.68	-66.90
C[NH+]1CC(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)C1	REAL300029590560	0	53	0.0	-73.84	404.75	2.01	-71.83
C[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)[NH+](C)C	REAL300029590573	0	52	0.0	-67.95	391.75	1.67	-66.28
C[N@H+](CCO)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590608	0	56	0.0	-73.64	424.05	-0.73	-74.37
C[N@@H+](CCO)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590608	1	56	0.0	-71.75	424.03	-0.75	-72.50
C[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)[NH+](C)C	REAL300029590609	0	52	0.0	-67.95	391.75	1.67	-66.28
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590612	0	56	0.0	-71.37	403.38	2.77	-68.60
C[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590612	1	56	0.0	-66.42	414.28	2.82	-63.60
C[N@@H+]1CCC(=CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)C1	REAL300029590644	0	54	0.0	-73.94	412.52	2.80	-71.14
C[N@H+]1CCC(=CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)C1	REAL300029590644	1	54	0.0	-74.61	411.58	2.83	-71.78
C[NH+](C)CCOCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590652	0	56	0.0	-69.10	429.52	2.33	-66.77
C[C@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)[NH+](C)C	REAL300029590662	0	52	0.0	-74.06	389.83	1.88	-72.18
CC1C[NH+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)C1	REAL300029590678	1	53	0.0	-71.75	404.61	2.35	-69.40
C[N@H+](CCO)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590690	1	53	0.0	-73.32	401.73	-1.30	-74.62
C[N@@H+](CCO)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590690	1	53	0.0	-72.75	401.51	-1.30	-74.05
CC(CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)C[NH+](C)C	REAL300029590700	0	58	0.0	-74.03	430.84	3.27	-70.76
CC[N@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590702	0	52	0.0	-71.47	391.37	1.94	-69.53
CC[N@@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590702	1	52	0.0	-71.31	391.37	1.94	-69.37
CC[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)C1CC1	REAL300029590711	0	56	0.0	-68.90	422.80	3.32	-65.58
CC[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)C1CC1	REAL300029590711	1	56	0.0	-68.98	419.70	3.29	-65.69
CC[NH+](CC)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590716	0	58	0.0	-71.99	431.59	3.17	-68.82
C[NH+](C)CC=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590730	0	53	0.0	-74.12	409.60	2.48	-71.64
COCC[N@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590737	1	56	0.0	-72.94	423.76	1.10	-71.84
COCC[N@@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590737	1	56	0.0	-73.61	423.99	1.10	-72.51
CC(CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)[NH+](C)C	REAL300029590745	0	58	0.0	-70.56	430.93	3.00	-67.56
CC[N@@H+]1CCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590750	1	53	0.0	-62.56	394.57	2.23	-60.33
CC[N@H+]1CCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590750	1	53	0.0	-74.08	402.33	2.42	-71.66
C=CCC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)[NH+](C)C	REAL300029590772	0	56	0.0	-69.89	417.33	2.75	-67.14
O=C(C[NH+]1CC2CC2C1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590779	0	54	0.0	-71.84	408.35	3.10	-68.74
CCCC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)[NH+](C)C	REAL300029590787	0	58	0.0	-71.88	425.56	3.05	-68.83
C[N@@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590797	0	56	0.0	-65.32	415.59	2.86	-62.46
C[N@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590797	1	56	0.0	-73.02	403.35	2.79	-70.23
O=C(CC[NH+]1CCCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590830	0	56	0.0	-72.34	421.93	3.00	-69.34
CC(C[NH+](C)C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590866	0	55	0.0	-75.25	410.09	2.73	-72.52
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)[NH+]1CC(C)C1	REAL300029590887	1	56	0.0	-70.98	425.03	2.88	-68.10
CC1CC[N@@H+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590888	1	53	0.0	-69.01	399.48	2.11	-66.90
CC1CC[N@H+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590888	1	53	0.0	-72.48	396.46	2.20	-70.28
C[NH+](C)CC(O)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590889	0	56	0.0	-76.01	426.35	0.26	-75.75
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)C1	REAL300029590916	0	56	0.0	-68.54	423.22	3.03	-65.51
CC(CC[NH+](C)C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590917	0	58	0.0	-74.50	431.72	3.36	-71.14
NC(=[NH2+])SCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590934	0	47	0.0	-73.92	381.57	-1.78	-75.70
C[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590990	0	53	0.0	-71.54	396.70	2.37	-69.17
C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590990	1	53	0.0	-67.29	393.84	1.83	-65.46
O=C(C[NH+]1CCCCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590997	0	56	0.0	-74.99	413.42	3.34	-71.65
CC1C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)CC[N@@H+]1C	REAL300029591000	0	56	0.0	-71.80	412.86	2.69	-69.11
CC1C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)CC[N@H+]1C	REAL300029591000	1	56	0.0	-64.14	409.27	2.37	-61.77
C[N@@H+]1CCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029591176	0	53	0.0	-62.42	398.04	2.19	-60.23
C[N@H+]1CCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029591176	1	53	0.0	-61.46	398.55	2.26	-59.20
C[N@@H+]1CCOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)C1	REAL300029591202	1	54	0.0	-67.43	400.38	1.60	-65.83
C[N@H+]1CCOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)C1	REAL300029591202	1	54	0.0	-60.66	401.54	1.47	-59.19
C[N@@H+]1CCC(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)C1	REAL300029591353	0	56	0.0	-68.67	422.91	3.02	-65.65
C[N@H+]1CCC(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)C1	REAL300029591353	1	56	0.0	-67.60	420.58	3.16	-64.44
CCC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)[NH+](C)C	REAL300029591356	0	55	0.0	-62.81	402.98	2.47	-60.34
C[NH+](C)CCCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029591367	0	58	0.0	-68.02	441.92	3.56	-64.46
CC(C)C(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)[NH+](C)C	REAL300029591373	0	58	0.0	-62.60	416.56	2.97	-59.63
CCC[N@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029591374	0	58	0.0	-65.29	436.81	3.30	-61.99
CCC[N@@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029591374	1	58	0.0	-67.02	435.47	3.49	-63.53
CCC[N@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029591375	0	55	0.0	-62.92	414.44	2.73	-60.19
CCC[N@@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029591375	1	55	0.0	-65.08	413.14	2.88	-62.20
C[NH+](C)CC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)CC1	REAL300029591414	0	56	0.0	-69.21	423.19	2.97	-66.24
CC[N@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029591421	0	55	0.0	-66.40	413.98	2.76	-63.64
CC[N@@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029591421	1	55	0.0	-66.43	413.97	2.73	-63.70
C[NH+]1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)CC1	REAL300029591447	0	56	0.0	-67.82	414.60	2.87	-64.95
CC(C)[C@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)[NH+](C)C	REAL300029591462	0	58	0.0	-66.15	419.28	2.90	-63.25
C[NH+](C)C1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)CCC1	REAL300029591490	0	56	0.0	-62.85	403.30	2.41	-60.44
CC1CCC[N@@H+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029591515	0	56	0.0	-62.09	418.88	3.17	-58.92
CC1CCC[N@H+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029591515	1	56	0.0	-61.84	421.89	3.19	-58.65
CC(C)[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)[NH+](C)C	REAL300029591529	0	58	0.0	-61.22	417.78	3.06	-58.16
CC1CC[N@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)C1	REAL300029591537	0	56	0.0	-64.26	420.00	3.26	-61.00
CC1CC[N@@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)C1	REAL300029591537	1	56	0.0	-64.15	422.59	3.16	-60.99
CC[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)[NH+](C)C	REAL300029591540	0	55	0.0	-61.78	406.23	2.41	-59.37
CC1=[NH+]C=CN1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029591582	1	51	0.0	-59.52	403.62	2.89	-56.63
CC1=C[NH+]=CN1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029591601	1	51	0.0	-64.87	403.67	3.82	-61.05
C[C@@H]1[C@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)CC[N@@H+]1C	REAL300029591602	0	56	0.0	-67.43	409.24	2.45	-64.98
C[C@@H]1[C@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)CC[N@H+]1C	REAL300029591602	1	56	0.0	-65.58	414.42	3.09	-62.49
C[N@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)C1CCC1	REAL300029591635	0	56	0.0	-63.00	420.01	3.46	-59.54
C[N@@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)C1CCC1	REAL300029591635	1	56	0.0	-63.23	420.15	3.47	-59.76
C[NH+]1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)CC1	REAL300029591642	0	56	0.0	-67.82	414.60	2.87	-64.95
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029591655	0	53	0.0	-57.14	392.16	2.02	-55.12
C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029591655	1	53	0.0	-62.12	397.23	2.33	-59.79
C[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029591699	0	56	0.0	-56.16	414.36	3.05	-53.11
C[N@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029591699	1	56	0.0	-61.88	414.35	3.07	-58.81
CC1C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)CC[N@@H+]1C	REAL300029591728	0	56	0.0	-64.22	417.03	2.84	-61.38
CC1C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)CC[N@H+]1C	REAL300029591728	1	56	0.0	-63.00	413.99	2.47	-60.53
C[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)[NH+](C)C	REAL300029591770	0	52	0.0	-62.43	393.30	1.73	-60.70
O=C(CC[NH+]1CCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029591788	0	56	0.0	-65.89	422.20	3.24	-62.65
C[N@H+](CCO)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029591793	1	53	0.0	-65.50	402.00	-1.09	-66.59
C[N@@H+](CCO)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029591793	1	53	0.0	-62.44	403.07	-1.25	-63.69
CC1C[NH+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)C1	REAL300029591844	1	53	0.0	-64.33	407.85	2.51	-61.82
CC[N@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029591879	0	52	0.0	-64.70	391.64	2.15	-62.55
CC[N@@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029591879	1	52	0.0	-64.68	391.64	2.14	-62.54
COCC[N@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029591932	1	56	0.0	-61.91	425.33	1.15	-60.76
COCC[N@@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029591932	1	56	0.0	-65.41	424.25	1.31	-64.10
CC(CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)[NH+](C)C	REAL300029591934	0	58	0.0	-66.06	430.19	3.16	-62.90
CC[N@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)C1CC1	REAL300029591939	0	56	0.0	-61.59	422.47	3.52	-58.07
CC[N@@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)C1CC1	REAL300029591939	1	56	0.0	-62.27	420.12	3.54	-58.73
C[N@@H+]1CC2CC1(C(=O)N1CC(NC(=O)C3=CC(=O)[N-]O3)C3(C1)CCOCC3)C2	REAL300029591952	0	54	0.0	-60.36	402.66	2.73	-57.63
C[N@H+]1CC2CC1(C(=O)N1CC(NC(=O)C3=CC(=O)[N-]O3)C3(C1)CCOCC3)C2	REAL300029591952	1	54	0.0	-66.43	403.31	2.61	-63.82
CC(C[NH+](C)C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029591961	0	55	0.0	-62.64	407.80	2.61	-60.03
C[NH+](C)C1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)CC1	REAL300029591967	0	53	0.0	-62.02	397.01	1.94	-60.08
C[C@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)[NH+](C)C	REAL300029591978	0	52	0.0	-65.11	392.47	1.71	-63.40
CC[N@@H+]1CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029591981	1	53	0.0	-62.73	397.17	2.20	-60.53
CC[N@H+]1CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029591981	1	53	0.0	-62.49	396.74	2.08	-60.41
NC1=CC=[NH+]C=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029591997	0	49	0.0	-62.44	384.85	-0.68	-63.12
CCCC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)[NH+](C)C	REAL300029592001	0	58	0.0	-63.65	424.47	3.24	-60.41
C[NH+](C)C(C)(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029592004	0	55	0.0	-62.73	395.40	2.05	-60.68
CC(CC[NH+](C)C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029592013	0	58	0.0	-67.39	430.07	3.11	-64.28
O=C(C[NH+]1CC2CC2C1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029592076	0	54	0.0	-64.47	409.38	3.37	-61.10
C[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029592087	0	56	0.0	-56.16	414.36	3.05	-53.11
C[N@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029592087	1	56	0.0	-61.88	414.35	3.07	-58.81
C[N@@H+]1CCC(=CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)C1	REAL300029592115	0	54	0.0	-69.76	411.57	3.02	-66.74
C[N@H+]1CCC(=CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)C1	REAL300029592115	1	54	0.0	-69.66	411.55	3.02	-66.64
CCC1C[NH+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)C1	REAL300029592139	1	56	0.0	-65.18	429.21	3.27	-61.91
C[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029592144	0	53	0.0	-72.68	399.99	2.47	-70.21
C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029592144	1	53	0.0	-58.41	393.71	1.83	-56.58
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)C1	REAL300029592188	0	56	0.0	-67.86	424.02	3.32	-64.54
C[NH+](C)CCOCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029592206	0	56	0.0	-67.00	432.43	2.51	-64.49
O=C(C[NH+]1CCCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029592241	0	56	0.0	-64.01	415.65	3.35	-60.66
C[N@@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)C1	REAL300029592242	0	56	0.0	-66.67	415.03	2.92	-63.75
C[N@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)C1	REAL300029592242	1	56	0.0	-66.72	418.81	3.05	-63.67
CN1C=C[N+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)=C1	REAL300029592243	0	51	0.0	-63.42	405.16	5.03	-58.39
C[N@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)C1CC1	REAL300029592253	0	53	0.0	-62.49	406.03	2.83	-59.66
C[N@@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)C1CC1	REAL300029592253	1	53	0.0	-62.92	403.28	2.91	-60.01
CC(CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)C[NH+](C)C	REAL300029592261	0	58	0.0	-67.83	433.57	3.45	-64.38
C[NH+]1CC(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)C1	REAL300029592312	0	53	0.0	-65.47	407.84	2.24	-63.23
C[NH+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029592319	0	49	0.0	-65.37	376.55	1.40	-63.97
C[N@H+](CCO)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029592329	0	56	0.0	-66.43	424.33	-0.48	-66.91
C[N@@H+](CCO)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029592329	1	56	0.0	-66.21	424.28	-0.47	-66.68
C[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)[NH+](C)C	REAL300029592330	0	52	0.0	-62.43	393.30	1.73	-60.70
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)[NH+]1CC(C)C1	REAL300029592344	0	56	0.0	-64.51	424.40	2.95	-61.56
CC1CC[N@@H+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029592345	1	53	0.0	-63.76	405.24	2.60	-61.16
CC1CC[N@H+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029592345	1	53	0.0	-61.32	400.96	2.12	-59.20
C[NH+](C)CC=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029592347	0	53	0.0	-69.47	409.90	2.71	-66.76
CC1(C)C[NH+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)C1	REAL300029592351	1	56	0.0	-64.09	427.13	3.02	-61.07
CC[NH+](CC)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029592368	0	55	0.0	-62.62	408.14	2.48	-60.14
O=C(C[NH+]1CCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029592373	1	50	0.0	-64.49	386.85	1.89	-62.60
CC[NH+](CC)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029592393	0	58	0.0	-64.99	434.50	3.34	-61.65
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)[NH+]1CCC1	REAL300029592424	1	53	0.0	-61.83	401.49	2.24	-59.59
C[NH+](C)CC(C)(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029592428	0	58	0.0	-65.31	412.72	2.56	-62.75
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029592449	0	56	0.0	-63.20	403.08	2.61	-60.59
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029592449	1	56	0.0	-56.48	414.33	3.06	-53.42
C[NH+](C)CC(O)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029592459	0	56	0.0	-69.80	429.16	0.47	-69.33
C=CCC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)[NH+](C)C	REAL300029592471	0	56	0.0	-61.83	416.23	2.93	-58.90
C[N@@H+]1CCCC1C(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029592641	0	56	0.0	-76.91	401.15	4.92	-71.99
C[N@H+]1CCCC1C(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029592641	1	56	0.0	-72.07	404.31	5.26	-66.81
CC1=[NH+]C=CN1CC(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029592742	1	54	0.0	-74.36	411.94	6.00	-68.36
CC1=C[NH+]=CN1CC(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029592801	1	54	0.0	-76.18	412.90	6.75	-69.43
CCC(C(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3)[NH+](C)C	REAL300029592810	0	58	0.0	-67.11	406.03	5.11	-62.00
CCC[N@H+](C)CC(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029592819	0	58	0.0	-79.07	421.77	5.81	-73.26
CCC[N@@H+](C)CC(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029592819	1	58	0.0	-79.09	421.77	5.82	-73.27
C[N@@H+]1CCC[C@@H]1C(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029592829	0	56	0.0	-72.59	401.09	4.91	-67.68
C[N@H+]1CCC[C@@H]1C(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029592829	1	56	0.0	-73.99	404.69	5.26	-68.73
CC[NH+](CC)CC(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029592839	0	58	0.0	-70.37	415.50	5.52	-64.85
CC[N@H+](C)CCC(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029592912	0	58	0.0	-79.84	422.65	5.64	-74.20
CC[N@@H+](C)CCC(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029592912	1	58	0.0	-75.22	422.59	5.63	-69.59
CC[C@@H](C(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3)[NH+](C)C	REAL300029592917	0	58	0.0	-65.74	411.35	5.40	-60.34
C[NH+](C)CC(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029592941	0	52	0.0	-76.62	384.19	4.44	-72.18
CC(C(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3)[NH+]1CCC1	REAL300029592947	1	56	0.0	-69.95	408.12	5.19	-64.76
C[N@H+](CC(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3)C1CC1	REAL300029592955	0	56	0.0	-71.69	411.77	5.81	-65.88
C[N@@H+](CC(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3)C1CC1	REAL300029592955	1	56	0.0	-72.28	411.92	5.83	-66.45
C[NH+]1CC(CC(=O)N2CC34CN(C(=O)C5=CC(=O)[N-]O5)CC3(C2)CCCC4)C1	REAL300029592963	0	56	0.0	-72.96	415.47	5.27	-67.69
C[C@@H](C(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3)[NH+](C)C	REAL300029592972	0	55	0.0	-67.14	401.08	4.89	-62.25
C[C@@H](C(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3)[NH+](C)C	REAL300029593002	0	55	0.0	-67.14	401.08	4.89	-62.25
O=C(C[NH+]1CCC1)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593022	1	53	0.0	-65.07	394.53	4.94	-60.13
C[C@H](C(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3)[NH+](C)C	REAL300029593037	0	55	0.0	-62.17	400.83	4.82	-57.35
CC1C[NH+](CC(=O)N2CC34CN(C(=O)C5=CC(=O)[N-]O5)CC3(C2)CCCC4)C1	REAL300029593046	1	56	0.0	-65.35	415.73	5.62	-59.73
C[N@H+](CCO)CC(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593057	1	56	0.0	-79.57	410.63	1.83	-77.74
C[N@@H+](CCO)CC(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593057	1	56	0.0	-79.18	410.40	1.83	-77.35
CC[N@H+](C)CC(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593066	0	55	0.0	-78.68	400.28	5.06	-73.62
CC[N@@H+](C)CC(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593066	1	55	0.0	-78.66	400.28	5.07	-73.59
C[NH+](C)CC=CC(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593089	0	56	0.0	-81.67	418.77	5.65	-76.02
CC[N@@H+]1CCC1C(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593097	1	56	0.0	-76.03	415.62	5.38	-70.65
CC[N@H+]1CCC1C(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593097	1	56	0.0	-69.81	415.12	5.49	-64.32
C[NH+](C)C(C)(C)C(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593117	0	58	0.0	-73.69	401.21	5.43	-68.26
C[NH+](C)C1(C(=O)N2CC34CN(C(=O)C5=CC(=O)[N-]O5)CC3(C2)CCCC4)CC1	REAL300029593148	0	56	0.0	-73.31	403.22	4.73	-68.58
CC(C[NH+](C)C)C(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593179	0	58	0.0	-64.15	422.40	5.49	-58.66
CC1CC[N@@H+]1CC(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593192	1	56	0.0	-72.93	414.07	5.52	-67.41
CC1CC[N@H+]1CC(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593192	1	56	0.0	-75.42	415.52	5.54	-69.88
NC(=[NH2+])SCC(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593224	0	50	0.0	-74.99	392.45	1.38	-73.61
C[N@@H+]1CCC[C@H]1C(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593265	0	56	0.0	-69.11	407.16	5.24	-63.87
C[N@H+]1CCC[C@H]1C(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593265	1	56	0.0	-77.44	402.55	4.99	-72.45
C[N@@H+]1CCCC1C(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593409	0	56	0.0	-76.91	401.15	4.92	-71.99
C[N@H+]1CCCC1C(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593409	1	56	0.0	-72.07	404.31	5.26	-66.81
CCC(C(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3)[NH+](C)C	REAL300029593524	0	58	0.0	-67.11	406.03	5.11	-62.00
CCC[N@H+](C)CC(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593530	0	58	0.0	-79.07	421.77	5.81	-73.26
CCC[N@@H+](C)CC(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593530	1	58	0.0	-79.09	421.77	5.82	-73.27
CC[N@H+](C)CCC(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593554	0	58	0.0	-79.84	422.65	5.64	-74.20
CC[N@@H+](C)CCC(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593554	1	58	0.0	-75.22	422.59	5.63	-69.59
CC[C@@H](C(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3)[NH+](C)C	REAL300029593615	0	58	0.0	-65.74	411.35	5.40	-60.34
CC1=[NH+]C=CN1CC(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593642	1	54	0.0	-74.36	411.94	6.00	-68.36
CC1=C[NH+]=CN1CC(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593656	1	54	0.0	-76.18	412.90	6.75	-69.43
C[N@@H+]1CCC[C@@H]1C(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593687	0	56	0.0	-72.59	401.09	4.91	-67.68
C[N@H+]1CCC[C@@H]1C(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593687	1	56	0.0	-73.99	404.69	5.26	-68.73
C[C@@H](C(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3)[NH+](C)C	REAL300029593771	0	55	0.0	-67.14	401.08	4.89	-62.25
C[N@H+](CCO)CC(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593784	1	56	0.0	-79.57	410.63	1.83	-77.74
C[N@@H+](CCO)CC(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593784	1	56	0.0	-79.18	410.40	1.83	-77.35
CC1C[NH+](CC(=O)N2CC34CN(C(=O)C5=CC(=O)[N-]O5)CC3(C2)CCCC4)C1	REAL300029593810	1	56	0.0	-65.35	415.73	5.62	-59.73
CC[N@H+](C)CC(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593831	0	55	0.0	-78.68	400.28	5.06	-73.62
CC[N@@H+](C)CC(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593831	1	55	0.0	-78.66	400.28	5.07	-73.59
CC(C[NH+](C)C)C(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593878	0	58	0.0	-64.15	422.40	5.49	-58.66
C[NH+](C)C1(C(=O)N2CC34CN(C(=O)C5=CC(=O)[N-]O5)CC3(C2)CCCC4)CC1	REAL300029593881	0	56	0.0	-73.31	403.22	4.73	-68.58
C[C@H](C(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3)[NH+](C)C	REAL300029593887	0	55	0.0	-62.17	400.83	4.82	-57.35
CC[N@@H+]1CCC1C(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593890	1	56	0.0	-76.03	415.62	5.38	-70.65
CC[N@H+]1CCC1C(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593890	1	56	0.0	-69.81	415.12	5.49	-64.32
NC1=CC=[NH+]C=C1C(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593898	0	52	0.0	-60.53	392.32	2.48	-58.05
C[NH+](C)C(C)(C)C(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593903	0	58	0.0	-73.69	401.21	5.43	-68.26
C[N@@H+]1CCC[C@H]1C(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593986	0	56	0.0	-69.11	407.16	5.24	-63.87
C[N@H+]1CCC[C@H]1C(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593986	1	56	0.0	-77.44	402.55	4.99	-72.45
C[N@H+](CC(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3)C1CC1	REAL300029594043	0	56	0.0	-71.69	411.77	5.81	-65.88
C[N@@H+](CC(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3)C1CC1	REAL300029594043	1	56	0.0	-72.28	411.92	5.83	-66.45
C[NH+]1CC(CC(=O)N2CC34CN(C(=O)C5=CC(=O)[N-]O5)CC3(C2)CCCC4)C1	REAL300029594079	0	56	0.0	-72.96	415.47	5.27	-67.69
C[NH+](C)CC(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029594084	0	52	0.0	-76.62	384.19	4.44	-72.18
C[C@@H](C(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3)[NH+](C)C	REAL300029594089	0	55	0.0	-67.14	401.08	4.89	-62.25
CC1CC[N@@H+]1CC(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029594100	1	56	0.0	-72.93	414.07	5.52	-67.41
CC1CC[N@H+]1CC(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029594100	1	56	0.0	-75.42	415.52	5.54	-69.88
C[NH+](C)CC=CC(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029594101	0	56	0.0	-81.67	418.77	5.65	-76.02
CC[NH+](CC)CC(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029594112	0	58	0.0	-70.37	415.50	5.52	-64.85
O=C(C[NH+]1CCC1)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029594115	1	53	0.0	-65.07	394.53	4.94	-60.13
CC(C(=O)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3)[NH+]1CCC1	REAL300029594143	1	56	0.0	-69.95	408.12	5.19	-64.76
C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029594354	0	49	0.0	-69.46	363.73	0.34	-69.12
C[N@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029594354	1	49	0.0	-71.54	360.48	0.06	-71.48
C[N@@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029594378	1	50	0.0	-76.50	372.23	0.26	-76.24
C[N@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029594378	1	50	0.0	-88.82	375.66	-0.18	-89.00
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1)[NH+]1CCCCCC1	REAL300029594536	0	58	0.0	-68.26	406.98	1.81	-66.45
CC(C)[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029594538	0	58	0.0	-65.28	413.13	2.01	-63.27
CC(C)[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029594538	1	58	0.0	-65.42	413.26	1.99	-63.43
CC(C)[N@@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029594558	0	55	0.0	-67.96	391.64	1.65	-66.31
CC(C)[N@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029594558	1	55	0.0	-68.50	392.74	1.98	-66.52
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC1CCO	REAL300029594574	0	56	0.0	-70.84	407.04	2.20	-68.64
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC3CCCC[N@H+]3C2)CC1CCO	REAL300029594574	1	56	0.0	-71.43	406.08	2.10	-69.33
CC(C)C1=[NH+]C=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029594592	1	53	0.0	-67.76	407.81	2.26	-65.50
CC1=[NH+]C=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029594619	1	47	0.0	-69.22	371.56	1.13	-68.09
CC(C[NH+]1CCOCC1)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029594620	0	56	0.0	-75.07	410.27	0.04	-75.03
O=C(CCC[NH+]1CCCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029594635	0	58	0.0	-73.40	427.66	2.81	-70.59
CC(C)(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1)[NH+]1CCCCC1	REAL300029594652	0	58	0.0	-72.71	404.43	1.77	-70.94
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2C[NH+]3CCC2CC3)CC1CCO	REAL300029594660	0	53	0.0	-74.78	380.01	1.16	-73.62
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCCC3CCC[N@@H+]32)CC1CCO	REAL300029594699	0	56	0.0	-67.83	396.01	1.63	-66.20
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCCC3CCC[N@H+]32)CC1CCO	REAL300029594699	1	56	0.0	-68.54	395.60	1.72	-66.82
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)CC[N@@H+]1C	REAL300029594712	0	52	0.0	-74.68	378.59	0.82	-73.86
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)CC[N@H+]1C	REAL300029594712	1	52	0.0	-73.26	379.85	1.27	-71.99
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)CC[N@@H+]1C	REAL300029594716	0	55	0.0	-73.48	394.87	1.05	-72.43
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)CC[N@H+]1C	REAL300029594716	1	55	0.0	-73.11	399.75	1.47	-71.64
CC[N@@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029594725	1	53	0.0	-71.33	386.36	0.36	-70.97
CC[N@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029594725	1	53	0.0	-71.46	386.39	0.35	-71.11
CC[NH+](CC)CC(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029594766	0	54	0.0	-78.05	403.87	1.45	-76.60
CC1CCC(C)[NH+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029594826	0	55	0.0	-68.35	398.94	1.37	-66.98
O=C(CCC[NH+]1CCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029594832	0	55	0.0	-73.17	411.99	2.10	-71.07
C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)CC1	REAL300029594837	0	54	0.0	-77.03	410.45	2.26	-74.77
O=C(CC[NH+]1CCCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029594838	0	55	0.0	-73.77	406.16	2.00	-71.77
CC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029594843	0	55	0.0	-69.14	392.15	1.47	-67.67
CC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029594843	1	55	0.0	-66.95	386.92	1.74	-65.21
CC(C)C[N@@H+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029594857	0	58	0.0	-71.76	422.82	2.39	-69.37
CC(C)C[N@H+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029594857	1	58	0.0	-72.64	422.66	2.36	-70.28
C[NH+](C)C1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)CCC1	REAL300029594860	0	52	0.0	-71.06	365.36	0.41	-70.65
CC(C)[N@@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029594862	0	58	0.0	-66.79	413.24	1.72	-65.07
CC(C)[N@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029594862	1	58	0.0	-66.95	410.46	1.63	-65.32
CC(C)[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1)[NH+](C)C	REAL300029594874	0	54	0.0	-71.36	384.50	1.05	-70.31
C[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1)C1CCC1	REAL300029594915	0	52	0.0	-71.13	388.25	1.51	-69.62
C[N@@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1)C1CCC1	REAL300029594915	1	52	0.0	-71.59	388.39	1.51	-70.08
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1)[NH+]1C(C)CCC1C	REAL300029594968	0	58	0.0	-64.49	410.79	1.89	-62.60
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029595022	1	51	0.0	-68.75	387.61	1.38	-67.37
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029595022	1	51	0.0	-69.57	390.35	1.63	-67.94
C[N@@H+]1CCCC1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029595027	0	55	0.0	-73.94	409.65	2.17	-71.77
C[N@H+]1CCCC1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029595027	1	55	0.0	-72.47	404.63	1.72	-70.75
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1CCO	REAL300029595036	0	56	0.0	-72.64	390.67	1.22	-71.42
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCC3CCCC[N@@H+]32)CC1CCO	REAL300029595039	0	56	0.0	-66.58	405.62	2.24	-64.34
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCC3CCCC[N@H+]32)CC1CCO	REAL300029595039	1	56	0.0	-67.97	402.37	2.08	-65.89
O=C(CCCC[NH+]1CCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029595055	0	58	0.0	-72.67	433.49	2.88	-69.79
C[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)CC1	REAL300029595066	0	52	0.0	-75.36	385.78	1.09	-74.27
C[NH+](C)CC1=CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)=NO1	REAL300029595098	1	51	0.0	-78.91	397.93	0.87	-78.04
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C=CC2=C[NH+]=CN21	REAL300029595099	0	50	0.0	-71.50	394.76	3.16	-68.34
C[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029595126	0	52	0.0	-69.13	380.96	1.06	-68.07
C[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029595126	1	52	0.0	-69.18	382.20	1.16	-68.02
CC(C)C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029595146	0	58	0.0	-68.87	413.58	2.60	-66.27
CC(C)C[N@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029595146	1	58	0.0	-68.65	422.71	2.59	-66.06
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC1CCO	REAL300029595240	0	47	0.0	-78.39	376.92	2.89	-75.50
CC1=[NH+]C=CN1CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029595248	1	53	0.0	-69.93	413.12	2.48	-67.45
O=C(CC[NH+]1CCOCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029595252	1	53	0.0	-77.12	397.43	-0.41	-77.53
CC1=C[NH+]=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029595279	1	47	0.0	-72.40	371.91	1.87	-70.53
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CCC[NH+]2CCC3)CC1CCO	REAL300029595315	0	53	0.0	-66.28	378.88	0.81	-65.47
C[NH+](C)C1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029595337	0	58	0.0	-72.05	420.32	2.25	-69.80
C[N@@H+]1CCC(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029595340	0	52	0.0	-74.27	388.93	1.26	-73.01
C[N@H+]1CCC(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029595340	1	52	0.0	-74.85	388.59	1.20	-73.65
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029595351	0	51	0.0	-73.06	390.34	-0.44	-73.50
CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1)[NH+](C)C	REAL300029595356	0	51	0.0	-71.42	371.62	0.53	-70.89
C[NH+](C)C1(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)CCCC1	REAL300029595367	0	58	0.0	-74.57	406.02	2.02	-72.55
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC1CCO	REAL300029595403	1	47	0.0	-81.42	377.02	2.92	-78.50
C[NH+](C)CCCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029595449	0	54	0.0	-74.01	407.52	1.70	-72.31
CC(C)C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1)[NH+](C)C	REAL300029595468	0	54	0.0	-69.99	378.82	1.04	-68.95
CCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029595470	0	54	0.0	-75.05	403.85	1.56	-73.49
CCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029595470	1	54	0.0	-75.05	403.76	1.53	-73.52
CCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029595475	0	51	0.0	-73.66	381.38	0.93	-72.73
CCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029595475	1	51	0.0	-73.74	381.38	0.93	-72.81
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CC[N@H+](C2)CCC3)CC1CCO	REAL300029595496	0	53	0.0	-71.08	373.64	0.92	-70.16
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1CCO	REAL300029595496	1	53	0.0	-73.27	376.39	0.50	-72.77
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029595529	0	49	0.0	-70.54	360.55	0.16	-70.38
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029595529	1	49	0.0	-69.11	361.57	0.24	-68.87
CCCCCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029595578	0	60	0.0	-74.90	445.88	3.27	-71.63
CCCCCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029595578	1	60	0.0	-74.98	445.88	3.27	-71.71
CC[NH+](CC)C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1)C(C)C	REAL300029595582	0	60	0.0	-66.24	411.87	2.09	-64.15
CC[NH+](CC)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029595590	0	51	0.0	-71.55	373.13	0.57	-70.98
CCC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029595621	0	58	0.0	-67.55	415.45	2.47	-65.08
CCC[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029595621	1	58	0.0	-79.64	422.78	2.39	-77.25
CC(C)[N@@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029595636	1	56	0.0	-73.55	409.57	0.94	-72.61
CC(C)[N@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029595636	1	56	0.0	-73.95	410.02	1.05	-72.90
CC1CC[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)CC1	REAL300029595664	0	55	0.0	-73.61	404.75	2.01	-71.60
C[NH+]1CCC(OCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)CC1	REAL300029595689	0	56	0.0	-76.43	422.10	1.69	-74.74
C[NH+](C)CC1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)CC1	REAL300029595699	0	52	0.0	-69.41	388.35	1.04	-68.37
CC(C)[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)CC1	REAL300029595767	0	58	0.0	-72.79	420.09	2.27	-70.52
C[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)CC1	REAL300029595784	0	52	0.0	-75.36	385.78	1.09	-74.27
CC(C)[C@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1)[NH+](C)C	REAL300029595802	0	54	0.0	-69.99	378.79	1.12	-68.87
CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1)[NH+](CC)CC	REAL300029595832	0	57	0.0	-69.52	403.31	1.95	-67.57
CC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029595886	0	51	0.0	-74.32	382.27	0.79	-73.53
CC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029595886	1	51	0.0	-74.28	382.26	0.79	-73.49
CC1CCC[N@@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029595937	0	52	0.0	-69.84	380.76	1.01	-68.83
CC1CCC[N@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029595937	1	52	0.0	-69.91	381.32	1.02	-68.89
CC1CC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029595939	0	52	0.0	-72.47	387.51	1.23	-71.24
CC1CC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029595939	1	52	0.0	-72.75	388.59	1.37	-71.38
CC1(C)CC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029595943	0	55	0.0	-72.69	407.70	1.87	-70.82
CC1(C)CC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029595943	1	55	0.0	-70.43	404.90	2.27	-68.16
C[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1)CC(C)(C)C	REAL300029595944	0	57	0.0	-73.30	409.39	1.92	-71.38
C[N@@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1)CC(C)(C)C	REAL300029595944	1	57	0.0	-72.81	412.12	2.07	-70.74
CC[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1)[NH+](C)C	REAL300029595952	0	51	0.0	-71.13	370.14	0.55	-70.58
C[NH+]1CCC(O)(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)CC1	REAL300029596101	0	56	0.0	-74.18	412.67	-0.13	-74.31
C[NH+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596112	0	45	0.0	-74.21	342.15	-0.48	-74.69
O=C(C[NH+]1CCC(CO)CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596116	0	56	0.0	-75.17	415.58	-1.30	-76.47
O=C(C[NH+]1CCCCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596117	0	55	0.0	-72.71	393.13	1.57	-71.14
CN1C=C[N+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)=C1	REAL300029596121	0	47	0.0	-70.85	373.38	3.03	-67.82
C[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029596128	0	52	0.0	-73.07	386.34	1.10	-71.97
C[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029596128	1	52	0.0	-72.22	378.99	1.19	-71.03
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1CCO	REAL300029596133	0	53	0.0	-69.86	391.48	1.40	-68.46
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCC[N@H+]2C2CC2)CC1CCO	REAL300029596133	1	53	0.0	-69.24	389.04	1.41	-67.83
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1)[NH+]1CCC1	REAL300029596157	1	49	0.0	-70.30	360.07	0.02	-70.28
CCC(CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1)C[NH+](C)C	REAL300029596161	0	57	0.0	-74.39	412.48	2.07	-72.32
C[NH+](C)CC(C)(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596168	0	54	0.0	-69.84	382.72	0.90	-68.94
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC1CCO	REAL300029596184	0	54	0.0	-64.54	400.51	2.15	-62.39
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CC1CCO	REAL300029596184	1	54	0.0	-65.70	391.46	2.31	-63.39
O=C(C[NH+]1CCC(O)CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596192	1	53	0.0	-77.57	394.99	-1.96	-79.53
C[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1)C1CC1	REAL300029596193	0	49	0.0	-70.37	371.42	0.93	-69.44
C[N@@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1)C1CC1	REAL300029596193	1	49	0.0	-71.09	371.55	0.93	-70.16
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1)N1CC[NH+](C)CC1	REAL300029596194	1	57	0.0	-76.53	408.94	-0.93	-77.46
C[NH+]1CC(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029596212	0	49	0.0	-74.42	373.44	0.39	-74.03
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC[N@@H+]2C2CCCC2)CC1CCO	REAL300029596216	0	56	0.0	-71.75	412.79	2.40	-69.35
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC[N@H+]2C2CCCC2)CC1CCO	REAL300029596216	1	56	0.0	-71.70	412.24	2.25	-69.45
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596224	0	55	0.0	-66.18	400.58	1.27	-64.91
CC(C)(C)[N@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596224	1	55	0.0	-69.69	380.35	0.49	-69.20
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1)[NH+](C)C	REAL300029596235	0	48	0.0	-71.36	355.94	-0.19	-71.55
CCC1CCC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029596270	0	58	0.0	-73.39	423.04	2.64	-70.75
CCC1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029596270	1	58	0.0	-73.40	423.24	2.75	-70.65
C[NH+](C)CC1=CC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)N1	REAL300029596277	0	53	0.0	-74.32	405.69	1.35	-72.97
[NH2+]=C1SC=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596318	0	45	0.0	-68.89	369.21	-0.30	-69.19
C[N@H+](CCO)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596328	0	52	0.0	-73.99	392.61	-2.42	-76.41
C[N@@H+](CCO)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596328	1	52	0.0	-73.97	392.51	-2.45	-76.42
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1)[NH+](C)C	REAL300029596329	0	48	0.0	-71.36	355.94	-0.19	-71.55
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596333	0	52	0.0	-70.93	371.66	0.67	-70.26
C[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596333	1	52	0.0	-69.05	383.45	1.22	-67.83
CC1CN2CC[N@@H+]1CC2C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596341	0	55	0.0	-73.40	392.98	-1.77	-75.17
CC1CN2CC[N@H+]1CC2C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596341	1	55	0.0	-73.89	391.42	-1.79	-75.68
O=C(CC1=CC2=C[NH+]=CN2C=C1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596382	0	50	0.0	-72.42	396.57	3.75	-68.67
C[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1)C1CCSC1	REAL300029596404	0	53	0.0	-78.92	401.51	1.77	-77.15
C[N@@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1)C1CCSC1	REAL300029596404	1	53	0.0	-79.27	401.49	1.75	-77.52
O=C(C[NH+]1CCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596405	1	46	0.0	-73.50	352.47	-0.01	-73.51
C[N@@H+]1CCC(=CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029596433	0	50	0.0	-76.29	379.94	1.09	-75.20
C[N@H+]1CCC(=CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029596433	1	50	0.0	-76.26	379.71	1.11	-75.15
C[NH+](C)CCOCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596466	0	52	0.0	-71.99	397.48	0.63	-71.36
CCCCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596471	0	60	0.0	-76.04	446.75	3.08	-72.96
CCCCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596471	1	60	0.0	-75.98	446.75	3.09	-72.89
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)O1	REAL300029596480	0	56	0.0	-71.48	417.29	1.46	-70.02
C=CCC(C)(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1)[NH+](C)C	REAL300029596487	0	55	0.0	-67.41	387.34	1.00	-66.41
C[S+](C)CCC(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596491	0	51	0.0	-71.03	402.81	-1.05	-72.08
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596516	0	53	0.0	-70.93	384.56	-2.83	-73.76
CN1CC[N@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029596526	0	57	0.0	-76.00	407.93	-0.42	-76.42
CN1CC[N@@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029596526	1	57	0.0	-76.00	407.93	-0.42	-76.42
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1)[N@@H+]1CCCC(O)C1	REAL300029596527	0	56	0.0	-71.35	408.45	-1.57	-72.92
C[N@@H+]1CCCC(O)(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029596545	0	56	0.0	-70.57	397.49	0.13	-70.44
C[N@H+]1CCCC(O)(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029596545	1	56	0.0	-70.57	397.49	0.13	-70.44
CC1CN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029596548	0	49	0.0	-73.38	373.47	0.62	-72.76
CC1C[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029596548	1	49	0.0	-73.38	373.47	0.62	-72.76
CN(CCO)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596574	0	49	0.0	-74.07	370.23	-3.04	-77.11
C[N@H+](CCO)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596574	1	49	0.0	-73.11	369.56	-3.08	-76.19
C[N@@H+](CCO)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596574	1	49	0.0	-73.11	369.56	-3.08	-76.19
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2C[N@@H+]3CCN2CCC3)CC1CCO	REAL300029596596	0	55	0.0	-76.67	386.12	-0.99	-77.66
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2C[N@H+]3CCN2CCC3)CC1CCO	REAL300029596596	1	55	0.0	-76.67	386.12	-0.99	-77.66
CC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029596602	0	55	0.0	-71.32	403.61	1.78	-69.54
CC[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029596602	1	55	0.0	-71.32	403.61	1.78	-69.54
CC(CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1)C[NH+](C)C	REAL300029596604	0	54	0.0	-74.27	399.34	1.58	-72.69
CC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596614	0	48	0.0	-73.24	359.88	0.19	-73.05
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CCC[N@@H+]2CCCC3)CC1CCO	REAL300029596635	0	56	0.0	-66.27	390.46	1.16	-65.11
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CCC[N@H+]2CCCC3)CC1CCO	REAL300029596635	1	56	0.0	-66.27	390.46	1.16	-65.11
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CCC[N@@H+]2CC=CC3)CC1CCO	REAL300029596640	0	54	0.0	-65.83	381.74	1.02	-64.81
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CCC[N@H+]2CC=CC3)CC1CCO	REAL300029596640	1	54	0.0	-65.83	381.74	1.02	-64.81
CC[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1)C1CC1	REAL300029596660	0	52	0.0	-71.67	383.16	1.40	-70.27
CC[NH+](CC)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596675	0	54	0.0	-73.14	399.01	1.47	-71.67
CC1(C)CN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029596695	0	52	0.0	-73.21	392.54	1.09	-72.12
CC1(C)C[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029596695	1	52	0.0	-73.21	392.54	1.09	-72.12
CC1(O)CC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029596719	0	53	0.0	-72.85	398.53	-1.94	-74.79
C[NH+](C)CC=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596726	0	49	0.0	-76.46	376.51	0.72	-75.74
CC(OCC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596745	0	55	0.0	-68.00	410.53	1.50	-66.50
C[NH+](C)CCOCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596753	0	55	0.0	-71.49	418.44	0.34	-71.15
COCCN(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596754	0	52	0.0	-72.94	391.82	-0.67	-73.61
COCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596754	1	52	0.0	-74.28	392.49	-0.64	-74.92
COCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596754	1	52	0.0	-74.28	392.49	-0.64	-74.92
C[NH+](C)C1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)CCCC1	REAL300029596783	0	55	0.0	-69.71	385.90	0.94	-68.77
CC(CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1)[NH+](C)C	REAL300029596786	0	54	0.0	-75.02	394.55	1.31	-73.71
CCN1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596793	0	49	0.0	-71.67	373.37	0.56	-71.11
CC[N@@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596793	1	49	0.0	-71.35	372.80	0.52	-70.83
CC[N@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596793	1	49	0.0	-71.35	372.80	0.52	-70.83
CC(C)[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029596803	0	58	0.0	-72.33	420.82	2.25	-70.08
CC(C)[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029596803	1	58	0.0	-72.33	420.82	2.25	-70.08
O=C(C[N@@H+]1CCCC1CO)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596815	0	53	0.0	-71.98	397.32	-1.70	-73.68
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC1CCO	REAL300029596837	0	56	0.0	-71.43	406.08	2.10	-69.33
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC3CCCC[N@H+]3C2)CC1CCO	REAL300029596837	1	56	0.0	-71.43	406.08	2.10	-69.33
C[NH+]1CCC(C)(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)CC1	REAL300029596843	0	55	0.0	-72.39	389.71	1.05	-71.34
C[NH+](C)CC1=CNC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)=C1	REAL300029596849	0	53	0.0	-73.33	404.63	1.08	-72.25
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1)[NH+]1CCC(O)CC1	REAL300029596863	0	56	0.0	-72.31	404.88	-1.84	-74.15
C=CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1)[NH+](C)C	REAL300029596870	0	52	0.0	-68.99	381.81	0.89	-68.10
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596880	0	55	0.0	-71.42	395.76	1.14	-70.28
C[N@H+]1CC(C)(C)CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596880	1	55	0.0	-69.18	403.40	1.60	-67.58
C[NH+](C)CCCCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596883	0	57	0.0	-71.51	426.71	2.80	-68.71
O=C(C[NH+]1CC2CC2C1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596891	0	50	0.0	-73.23	377.62	1.41	-71.82
CC1C[N@@H+]2CCN1C(C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C1)C2	REAL300029596916	0	55	0.0	-73.44	384.07	0.45	-72.99
CC1C[N@H+]2CCN1C(C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C1)C2	REAL300029596916	1	55	0.0	-75.30	393.08	-1.65	-76.95
CCCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1)[NH+](C)C	REAL300029596917	0	54	0.0	-70.99	389.95	1.16	-69.83
C[NH+](C)C(C)(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596921	0	51	0.0	-68.68	361.90	0.06	-68.62
C[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596959	0	52	0.0	-69.13	380.96	1.06	-68.07
C[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596959	1	52	0.0	-69.18	382.20	1.16	-68.02
C[N@H+]1CC=C(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)CC1	REAL300029596992	0	53	0.0	-72.66	401.17	1.90	-70.76
C[N@@H+]1CC=C(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)CC1	REAL300029596992	1	53	0.0	-71.39	401.76	2.01	-69.38
O=C(CC1([NH+]2CCCC2)CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029597001	0	56	0.0	-69.56	407.87	2.44	-67.12
C[NH+](C)CC1=CC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)O1	REAL300029597043	1	52	0.0	-72.43	402.99	1.24	-71.19
O=C(C=CC[NH+]1CCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029597059	0	53	0.0	-75.45	402.85	1.93	-73.52
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1CCO	REAL300029597079	0	56	0.0	-72.79	410.62	2.29	-70.50
C[NH+](C)C1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)CC1	REAL300029597097	0	49	0.0	-70.16	364.24	0.08	-70.08
O=C(CC[NH+]1CCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029597099	0	52	0.0	-73.80	390.50	1.30	-72.50
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2C[NH+]3CCN2CC3)CC1CCO	REAL300029597132	0	52	0.0	-76.56	373.51	-2.45	-79.01
C[N@@H+]1CC2CC1(C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C1)C2	REAL300029597141	0	50	0.0	-65.74	367.16	0.64	-65.10
C[N@H+]1CC2CC1(C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C1)C2	REAL300029597141	1	50	0.0	-68.83	368.64	0.46	-68.37
O=C(C[N@@H+]1CC2CCC1C2)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029597153	0	53	0.0	-71.00	388.73	1.72	-69.28
O=C(C[N@H+]1CC2CCC1C2)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029597153	1	53	0.0	-70.38	386.99	1.58	-68.80
O=C(C=C1C[NH+]2CCC1CC2)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029597190	0	54	0.0	-71.22	396.95	1.93	-69.29
O=C(C[N@@H+]1CC2C=CC1C2)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029597200	1	51	0.0	-69.48	381.80	1.45	-68.03
O=C(C[N@H+]1CC2C=CC1C2)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029597200	1	51	0.0	-69.70	381.21	1.39	-68.31
CC[NH+]1CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)CC1	REAL300029597229	0	57	0.0	-72.04	418.42	-0.34	-72.38
CC(C[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029597245	0	51	0.0	-73.52	380.59	0.69	-72.83
C[N@@H+]1CCCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029597310	0	55	0.0	-65.69	391.63	1.94	-63.75
C[N@H+]1CCCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029597310	1	55	0.0	-67.97	394.13	1.73	-66.24
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C(CCO)C3)C=CN2C=[NH+]1	REAL300029597326	1	50	0.0	-79.03	398.95	3.48	-75.55
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1)[NH+]1CC(C)C1	REAL300029597327	0	52	0.0	-69.52	392.12	1.09	-68.43
CC1CC[N@@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029597330	1	49	0.0	-70.82	367.80	0.30	-70.52
CC1CC[N@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029597330	1	49	0.0	-71.00	368.36	0.43	-70.57
C[NH+](C)CC(O)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029597333	0	52	0.0	-77.24	394.76	-1.41	-78.65
CC1C[N@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)O1	REAL300029597359	1	53	0.0	-77.78	395.59	0.46	-77.32
CC1C[N@@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)O1	REAL300029597359	1	53	0.0	-77.98	388.34	0.04	-77.94
O=C(CC[NH+]1CCC(O)CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029597368	0	56	0.0	-77.72	416.80	-1.38	-79.10
CCC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029597370	0	58	0.0	-67.31	421.45	2.56	-64.75
CCC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029597370	1	58	0.0	-69.78	410.00	1.97	-67.81
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029597434	0	52	0.0	-72.51	391.22	1.25	-71.26
CC(CC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029597442	0	54	0.0	-73.66	402.25	1.31	-72.35
C[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1)[C@@H]1CCC[C@H]1O	REAL300029597462	0	56	0.0	-67.30	409.45	-0.68	-67.98
C[N@@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1)[C@@H]1CCC[C@H]1O	REAL300029597462	1	56	0.0	-72.36	413.61	-1.16	-73.52
C#CC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029597468	1	54	0.0	-67.58	407.38	2.27	-65.31
C#CC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029597468	1	54	0.0	-67.37	407.17	2.24	-65.13
C[NH+]1CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)CC1	REAL300029597471	1	54	0.0	-73.13	401.18	-0.98	-74.11
CC[NH+]1CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)CC1	REAL300029597480	0	57	0.0	-72.04	418.42	-0.34	-72.38
NC(=[NH2+])SCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029597503	0	43	0.0	-73.33	350.68	-3.52	-76.85
CC[N@@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029597536	0	56	0.0	-71.31	403.30	0.35	-70.96
C[NH+](C)C1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)CC1	REAL300029597551	0	58	0.0	-69.79	411.92	2.08	-67.71
C[NH+](C)CCC1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)CC1	REAL300029597552	0	55	0.0	-70.49	411.85	1.82	-68.67
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)CC1	REAL300029597554	0	58	0.0	-72.33	410.27	1.94	-70.39
C[N@@H+]1CC=CCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029597555	0	53	0.0	-75.49	392.16	1.63	-73.86
C[N@H+]1CC=CCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029597555	1	53	0.0	-75.49	392.16	1.63	-73.86
C[C@@H](OCC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029597576	0	55	0.0	-70.05	412.32	1.04	-69.01
C[NH+]1C2CCC1CC(C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C1)C2	REAL300029597601	0	56	0.0	-71.80	386.52	1.23	-70.57
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1)[NH+]1CCSCC1	REAL300029597699	1	53	0.0	-72.54	395.85	1.36	-71.18
CCC1C[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029597701	0	52	0.0	-74.18	394.83	1.37	-72.81
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2([NH+]3CCCC3)CCC2)CC1CCO	REAL300029597703	0	56	0.0	-65.25	399.07	1.67	-63.58
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029597710	1	49	0.0	-70.16	360.52	0.06	-70.10
O=C(CC[N@H+]1CCC(F)C1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029597717	1	52	0.0	-78.60	396.37	1.38	-77.22
COC1C[N@@H+](C)C(C)(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C1	REAL300029597725	1	56	0.0	-69.28	403.85	-1.00	-70.28
O=C(CC[NH+]1CCCCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029597733	0	58	0.0	-75.50	416.19	2.19	-73.31
O=C(C[NH+]1CCCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029597735	0	52	0.0	-72.77	383.89	1.39	-71.38
CC1C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)CC[N@@H+]1C	REAL300029597745	0	52	0.0	-71.39	382.75	0.90	-70.49
CC1C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)CC[N@H+]1C	REAL300029597745	1	52	0.0	-70.88	379.71	0.56	-70.32
C[N@@H+]1CCCCC1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029597747	0	58	0.0	-71.89	423.32	2.58	-69.31
C[N@H+]1CCCCC1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029597747	1	58	0.0	-74.37	416.58	2.42	-71.95
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC[N@@H+]3CCOCC23)CC1CCO	REAL300029597769	0	54	0.0	-74.84	398.28	-0.27	-75.11
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC[N@H+]3CCOCC23)CC1CCO	REAL300029597769	1	54	0.0	-70.96	389.15	-0.42	-71.38
CC1=[NH+]C=C2C=CC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C(CCO)C3)=CN21	REAL300029597774	0	50	0.0	-73.94	398.36	2.67	-71.27
CN1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029597787	0	53	0.0	-67.57	382.99	-0.45	-68.02
C[N@@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029597787	1	53	0.0	-70.19	385.50	-0.65	-70.84
C[N@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029597787	1	53	0.0	-67.57	382.99	-0.45	-68.02
CC1=C(C)[NH+]=C(CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)N1	REAL300029597794	1	53	0.0	-67.67	412.40	0.85	-66.82
C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029597964	0	49	0.0	-68.59	353.40	0.26	-68.33
C[N@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029597964	1	49	0.0	-66.87	360.97	0.09	-66.78
CC1=[NH+]C=CN1CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029598147	1	53	0.0	-66.56	413.46	2.60	-63.96
O=C(CC[NH+]1CCOCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029598151	1	53	0.0	-73.51	396.99	-0.37	-73.88
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C(CCO)C1	REAL300029598173	1	47	0.0	-71.10	369.57	2.70	-68.40
C[NH+](C)C1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C1	REAL300029598215	0	58	0.0	-68.51	415.44	2.07	-66.44
C[N@@H+]1CCC(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C1	REAL300029598218	0	52	0.0	-70.90	388.94	1.14	-69.76
C[N@H+]1CCC(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C1	REAL300029598218	1	52	0.0	-70.41	388.06	1.21	-69.20
CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO)[NH+](C)C	REAL300029598232	0	51	0.0	-67.92	365.55	0.92	-67.00
C[NH+](C)CCCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029598282	0	54	0.0	-70.83	407.08	1.73	-69.10
CCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029598301	0	54	0.0	-71.13	403.36	1.55	-69.58
CCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029598301	1	54	0.0	-71.39	403.32	1.58	-69.81
CCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029598305	0	51	0.0	-69.38	381.00	0.94	-68.44
CCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029598305	1	51	0.0	-69.56	381.74	1.04	-68.52
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CC[N@H+](C2)CCC3)C(CCO)C1	REAL300029598321	0	53	0.0	-69.05	375.93	0.41	-68.64
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C23CC[N@@H+](C2)CCC3)C(CCO)C1	REAL300029598321	1	53	0.0	-69.45	373.95	0.86	-68.59
CCCCCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029598340	0	60	0.0	-70.65	445.49	3.27	-67.38
CCCCCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029598340	1	60	0.0	-70.54	445.49	3.28	-67.26
CC1CC[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)CC1	REAL300029598371	0	55	0.0	-69.37	404.33	2.01	-67.36
C[NH+]1CCC(OCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)CC1	REAL300029598391	0	56	0.0	-73.50	422.44	1.64	-71.86
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C(CCO)C1	REAL300029598424	0	56	0.0	-65.98	405.72	2.16	-63.82
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC3CCCC[N@H+]3C2)C(CCO)C1	REAL300029598424	1	56	0.0	-65.63	406.17	2.18	-63.45
C[NH+](C)CC1(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)CC1	REAL300029598433	0	52	0.0	-68.63	387.15	1.05	-67.58
CC(C)[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)CC1	REAL300029598443	0	58	0.0	-69.00	415.49	2.11	-66.89
CC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029598461	0	51	0.0	-70.70	381.82	0.81	-69.89
CC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029598461	1	51	0.0	-70.72	381.82	0.84	-69.88
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2C[NH+]3CCC2CC3)C(CCO)C1	REAL300029598486	0	53	0.0	-72.09	378.46	1.14	-70.95
C[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)CC1	REAL300029598545	0	52	0.0	-71.47	382.41	0.97	-70.50
CC[NH+](CC)CC(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029598625	0	54	0.0	-67.30	400.66	1.35	-65.95
CC(C)C[N@@H+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C1	REAL300029598646	0	58	0.0	-68.45	422.68	2.41	-66.04
CC(C)C[N@H+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C1	REAL300029598646	1	58	0.0	-68.05	423.42	2.43	-65.62
CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO)[NH+](CC)CC	REAL300029598669	0	57	0.0	-62.21	401.99	1.53	-60.68
CC1CCC[N@@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029598684	0	52	0.0	-65.70	380.67	0.97	-64.73
CC1CCC[N@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029598684	1	52	0.0	-66.25	386.30	1.28	-64.97
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO)[NH+]1CCCCCC1	REAL300029598728	0	58	0.0	-65.40	401.13	2.08	-63.32
CC(C)[N@@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029598746	0	55	0.0	-63.60	396.16	1.41	-62.19
CC(C)[N@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029598746	1	55	0.0	-64.36	389.05	1.69	-62.67
CC(C)[N@@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029598751	0	58	0.0	-67.16	422.51	2.27	-64.89
CC(C)[N@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029598751	1	58	0.0	-66.98	411.52	1.79	-65.19
CC1CC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C1	REAL300029598777	0	52	0.0	-68.50	388.59	1.27	-67.23
CC1CC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C1	REAL300029598777	1	52	0.0	-68.67	387.28	1.34	-67.33
CC1(C)CC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C1	REAL300029598780	0	55	0.0	-69.06	407.51	1.81	-67.25
CC1(C)CC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C1	REAL300029598780	1	55	0.0	-68.83	407.33	1.78	-67.05
C[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO)CC(C)(C)C	REAL300029598781	0	57	0.0	-69.44	409.89	2.00	-67.44
C[N@@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO)CC(C)(C)C	REAL300029598781	1	57	0.0	-68.57	412.01	2.14	-66.43
CC[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO)[NH+](C)C	REAL300029598788	0	51	0.0	-65.03	367.07	0.33	-64.70
CC1=[NH+]C=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029598952	1	47	0.0	-65.10	371.21	1.15	-63.95
CC(C[NH+]1CCOCC1)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029598953	1	56	0.0	-71.65	407.90	0.53	-71.12
O=C(CCC[NH+]1CCCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029598966	0	58	0.0	-69.69	427.99	2.92	-66.77
C[NH+](C)CC1=CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)=NO1	REAL300029598975	1	51	0.0	-75.57	397.91	0.91	-74.66
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C=CC2=C[NH+]=CN21	REAL300029598976	0	50	0.0	-67.56	394.80	3.12	-64.44
CC(C)C1=[NH+]C=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029599005	1	53	0.0	-63.84	408.12	2.25	-61.59
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCCC3CCC[N@@H+]32)C(CCO)C1	REAL300029599033	0	56	0.0	-63.83	394.72	1.54	-62.29
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCCC3CCC[N@H+]32)C(CCO)C1	REAL300029599033	1	56	0.0	-62.59	405.05	2.41	-60.18
CC[N@@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C1	REAL300029599046	1	53	0.0	-73.13	393.92	0.40	-72.73
CC[N@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C1	REAL300029599046	1	53	0.0	-73.08	392.22	0.33	-72.75
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C(CCO)C1	REAL300029599082	0	47	0.0	-68.54	369.33	2.68	-65.86
CC1=C[NH+]=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029599087	1	47	0.0	-67.99	371.54	1.87	-66.12
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)CC[N@@H+]1C	REAL300029599098	0	52	0.0	-71.11	377.01	0.50	-70.61
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)CC[N@H+]1C	REAL300029599098	1	52	0.0	-69.30	378.26	1.19	-68.11
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)CC[N@@H+]1C	REAL300029599101	0	55	0.0	-69.68	394.64	1.06	-68.62
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)CC[N@H+]1C	REAL300029599101	1	55	0.0	-69.33	398.94	1.37	-67.96
CC1CCC(C)[NH+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029599109	0	55	0.0	-64.63	398.93	1.42	-63.21
O=C(CCC[NH+]1CCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029599115	0	55	0.0	-69.52	412.32	2.21	-67.31
C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)CC1	REAL300029599120	0	54	0.0	-72.68	409.10	2.24	-70.44
O=C(CC[NH+]1CCCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029599121	0	55	0.0	-69.80	405.77	2.03	-67.77
C[NH+](C)C1(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)CCCC1	REAL300029599153	0	58	0.0	-70.97	405.51	1.98	-68.99
C[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO)C1CCC1	REAL300029599260	0	52	0.0	-66.86	387.87	1.51	-65.35
C[N@@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO)C1CCC1	REAL300029599260	1	52	0.0	-67.22	388.01	1.52	-65.70
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO)[NH+]1C(C)CCC1C	REAL300029599277	0	58	0.0	-61.96	407.27	1.64	-60.32
O=C(CCCC[NH+]1CCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029599289	0	58	0.0	-69.40	433.05	2.91	-66.49
C[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)CC1	REAL300029599300	0	52	0.0	-71.47	382.41	0.97	-70.50
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029599328	0	49	0.0	-67.30	360.77	0.14	-67.16
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029599328	1	49	0.0	-66.32	360.56	0.78	-65.54
C[N@@H+]1CCCC1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029599351	0	55	0.0	-70.87	409.06	2.05	-68.82
C[N@H+]1CCCC1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029599351	1	55	0.0	-68.42	403.73	1.64	-66.78
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCC3CCCC[N@@H+]32)C(CCO)C1	REAL300029599360	0	56	0.0	-64.21	402.06	2.08	-62.13
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCC3CCCC[N@H+]32)C(CCO)C1	REAL300029599360	1	56	0.0	-62.50	407.73	2.38	-60.12
CCC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C1	REAL300029599412	0	58	0.0	-63.27	416.00	2.57	-60.70
CCC[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C1	REAL300029599412	1	58	0.0	-63.62	414.40	2.48	-61.14
CC(C)[N@@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C1	REAL300029599423	1	56	0.0	-70.70	410.26	0.86	-69.84
CC(C)[N@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C1	REAL300029599423	1	56	0.0	-66.62	401.86	0.61	-66.01
O=C(C[NH+]1CCC(CO)CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029599470	0	56	0.0	-70.79	415.18	-1.32	-72.11
CC1C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)CC[N@@H+]1C	REAL300029599508	0	52	0.0	-71.41	376.94	0.52	-70.89
CC1C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)CC[N@H+]1C	REAL300029599508	1	52	0.0	-69.06	378.98	0.55	-68.51
C[N@@H+]1CCCCC1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029599510	0	58	0.0	-67.85	422.91	2.52	-65.33
C[N@H+]1CCCCC1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029599510	1	58	0.0	-68.17	422.23	2.47	-65.70
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029599575	0	55	0.0	-66.17	376.16	0.42	-65.75
CC(C)(C)[N@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029599575	1	55	0.0	-64.87	403.41	1.22	-63.65
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO)[NH+](C)C	REAL300029599592	0	48	0.0	-66.72	357.69	-0.02	-66.74
C=CCC(C)(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO)[NH+](C)C	REAL300029599606	0	55	0.0	-61.55	386.47	0.97	-60.58
O=C(CC[NH+]1CCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029599627	0	52	0.0	-70.05	390.82	1.41	-68.64
C[N@H+](CCO)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029599636	1	49	0.0	-69.82	369.85	-3.06	-72.88
C[N@@H+](CCO)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029599636	1	49	0.0	-69.41	370.57	-2.95	-72.36
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2C[N@@H+]3CCN2CCC3)C(CCO)C1	REAL300029599668	0	55	0.0	-73.83	385.51	-1.11	-74.94
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2C[N@H+]3CCN2CCC3)C(CCO)C1	REAL300029599668	1	55	0.0	-73.22	385.11	-1.10	-74.32
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO)[NH+]1CCSCC1	REAL300029599685	1	53	0.0	-69.10	392.36	1.15	-67.95
C[N@H+]1CC=C(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)CC1	REAL300029599712	0	53	0.0	-68.60	401.24	1.89	-66.71
C[N@@H+]1CC=C(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)CC1	REAL300029599712	1	53	0.0	-67.07	400.82	1.87	-65.20
C[S+](C)CCC(O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029599723	0	51	0.0	-68.98	402.90	-1.20	-70.18
CN1CC[N@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C1	REAL300029599748	0	57	0.0	-66.94	407.89	-0.45	-67.39
CN1CC[N@@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C1	REAL300029599748	1	57	0.0	-67.77	405.32	-0.09	-67.86
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO)[N@@H+]1CCCC(O)C1	REAL300029599749	0	56	0.0	-65.11	410.03	-1.34	-66.45
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO)[N@H+]1CCCC(O)C1	REAL300029599749	1	56	0.0	-64.89	405.96	-1.53	-66.42
C[N@@H+]1CCCC(O)(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C1	REAL300029599777	0	56	0.0	-65.81	401.96	-0.50	-66.31
C[N@H+]1CCCC(O)(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C1	REAL300029599777	1	56	0.0	-68.76	399.75	-0.26	-69.02
CC1C[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C1	REAL300029599781	1	49	0.0	-69.24	373.84	0.75	-68.49
CC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C1	REAL300029599785	0	55	0.0	-63.41	392.67	1.68	-61.73
CC[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C1	REAL300029599785	1	55	0.0	-63.06	394.36	1.76	-61.30
NC1=[NH+]C=CC=C1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029599791	0	48	0.0	-65.30	376.02	-0.61	-65.91
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCC[N@@H+]2C2CC2)C(CCO)C1	REAL300029599799	0	53	0.0	-63.10	394.67	1.84	-61.26
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CCC[N@H+]2C2CC2)C(CCO)C1	REAL300029599799	1	53	0.0	-63.23	389.38	1.68	-61.55
O=C(C=CC[NH+]1CCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029599831	0	53	0.0	-71.62	402.81	1.95	-69.67
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C(CCO)C1	REAL300029599849	0	56	0.0	-68.62	407.67	2.17	-66.45
CC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029599880	0	48	0.0	-69.23	360.24	0.28	-68.95
O=C(CN1CC2C=CC1C2)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029599919	0	51	0.0	-65.62	381.25	1.46	-64.16
O=C(C[N@@H+]1CC2C=CC1C2)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029599919	1	51	0.0	-66.89	381.00	1.49	-65.40
O=C(C[N@H+]1CC2C=CC1C2)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029599919	1	51	0.0	-66.89	381.00	1.49	-65.40
CC(OCC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600032	0	55	0.0	-67.45	411.60	1.29	-66.16
C[NH+](C)CCOCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600041	0	55	0.0	-67.99	418.53	0.37	-67.62
COCCN(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600043	0	52	0.0	-69.31	392.82	-0.54	-69.85
COCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600043	1	52	0.0	-69.98	392.11	-0.64	-70.62
COCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600043	1	52	0.0	-69.98	392.11	-0.64	-70.62
CC(CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO)[NH+](C)C	REAL300029600048	0	54	0.0	-71.30	394.78	1.33	-69.97
CC[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO)C1CC1	REAL300029600069	0	52	0.0	-67.97	385.30	1.51	-66.46
CC1C[N@@H+]2CCN1C(C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)CC1CCO)C2	REAL300029600079	0	55	0.0	-71.67	391.68	-1.79	-73.46
O=C(C[N@@H+]1CC2CCC1C2)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600109	0	53	0.0	-66.41	385.56	1.39	-65.02
O=C(C[N@H+]1CC2CCC1C2)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600109	1	53	0.0	-66.41	385.56	1.39	-65.02
CC(C[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600125	0	51	0.0	-65.71	376.48	0.62	-65.09
CCN1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600163	0	49	0.0	-66.28	365.74	0.26	-66.02
CC[N@@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600163	1	49	0.0	-66.12	365.74	0.17	-65.95
CC[N@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600163	1	49	0.0	-66.12	365.74	0.17	-65.95
CC(C)[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C1	REAL300029600173	0	58	0.0	-62.51	411.30	2.34	-60.17
CC(C)[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C1	REAL300029600173	1	58	0.0	-62.51	411.30	2.34	-60.17
CCC(C)(C)[NH2+]C(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600183	0	57	0.0	-66.22	404.73	-0.11	-66.33
C#CCN1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600219	0	54	0.0	-64.92	404.33	2.77	-62.15
C#CC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600219	1	54	0.0	-65.71	397.12	1.86	-63.85
C#CC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600219	1	54	0.0	-65.71	397.12	1.86	-63.85
CNC1=NC(C)=CC=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600220	0	51	0.0	-60.54	394.11	0.13	-60.41
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600220	1	51	0.0	-60.54	394.11	0.13	-60.41
CCCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO)[NH+](C)C	REAL300029600230	0	54	0.0	-66.40	390.39	1.29	-65.11
CC(CC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600251	0	54	0.0	-69.98	398.46	1.19	-68.79
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600330	0	55	0.0	-64.84	402.14	1.44	-63.40
C[N@H+]1CC(C)(C)CC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600330	1	55	0.0	-64.84	402.14	1.44	-63.40
C[NH+](C)CCCCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600333	0	57	0.0	-70.11	428.58	2.52	-67.59
O=C(CC[NH+]1CCC(O)CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600337	0	56	0.0	-73.77	416.41	-1.36	-75.13
CCC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600340	0	58	0.0	-63.68	419.95	2.53	-61.15
CCC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600340	1	58	0.0	-63.68	419.95	2.53	-61.15
CN1CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)CC1	REAL300029600348	0	54	0.0	-68.93	400.69	-1.02	-69.95
C[NH+]1CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)CC1	REAL300029600348	1	54	0.0	-68.93	400.69	-1.02	-69.95
CC1CN(C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)O1	REAL300029600426	0	53	0.0	-73.89	389.64	0.37	-73.52
CC1C[N@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)O1	REAL300029600426	1	53	0.0	-75.98	388.74	-0.04	-76.02
CC1C[N@@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)O1	REAL300029600426	1	53	0.0	-75.98	388.74	-0.04	-76.02
CCC1CCC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C1	REAL300029600456	0	58	0.0	-69.44	423.07	2.64	-66.80
CCC1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C1	REAL300029600456	1	58	0.0	-69.44	423.07	2.64	-66.80
O=C(CC1([NH+]2CCCC2)CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600488	0	56	0.0	-65.71	407.38	2.30	-63.41
C[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600517	0	52	0.0	-64.30	380.53	1.05	-63.25
C[N@@H+]1CCC(=CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C1	REAL300029600604	0	50	0.0	-72.58	379.20	1.19	-71.39
C[N@H+]1CCC(=CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C1	REAL300029600604	1	50	0.0	-72.58	379.20	1.19	-71.39
O=C(CNC1=CC=[NH+]C=C1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600609	0	48	0.0	-67.60	374.96	-0.75	-68.35
O=C(C=C1C[NH+]2CCC1CC2)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600655	0	54	0.0	-66.65	396.99	1.93	-64.72
C[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO)[C@@H]1CCC[C@H]1O	REAL300029600691	0	56	0.0	-67.19	412.50	-1.08	-68.27
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600704	0	49	0.0	-66.62	361.24	0.19	-66.43
CCN1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600727	0	56	0.0	-72.04	410.48	0.10	-71.94
CC[N@@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600727	1	56	0.0	-70.42	405.09	-0.09	-70.51
CC[N@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600727	1	56	0.0	-72.04	410.48	0.10	-71.94
NC1=CC=C(CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C=[NH+]1	REAL300029600761	0	51	0.0	-67.20	400.74	0.10	-67.10
O=C(CC1=CC2=C[NH+]=CN2C=C1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600764	0	50	0.0	-68.77	396.60	3.78	-64.99
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C1	REAL300029600820	0	52	0.0	-69.13	391.85	1.34	-67.79
C[NH+](C)C1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)CC1	REAL300029600833	0	58	0.0	-71.24	418.85	2.24	-69.00
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)CC1	REAL300029600835	0	58	0.0	-64.94	410.14	1.98	-62.96
C[N@@H+]1CC=CCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600836	0	53	0.0	-71.68	392.82	1.76	-69.92
C[N@H+]1CC=CCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600836	1	53	0.0	-63.51	387.91	1.56	-61.95
C[NH+](C)CCOCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600886	0	52	0.0	-68.46	397.70	0.53	-67.93
CCCCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600891	0	60	0.0	-72.00	446.36	3.11	-68.89
CCCCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600891	1	60	0.0	-72.32	446.32	3.14	-69.18
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)O1	REAL300029600901	0	56	0.0	-69.24	417.53	1.22	-68.02
[NH2+]=C1SC=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600917	0	45	0.0	-64.39	368.84	-0.29	-64.68
C[C@@H](OCC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600973	0	55	0.0	-66.87	413.91	1.04	-65.83
O=C(CC[NH+]1CCCCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029601001	0	58	0.0	-71.53	415.79	2.20	-69.33
C[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C1	REAL300029601006	0	52	0.0	-69.38	383.26	0.94	-68.44
C[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C1	REAL300029601006	1	52	0.0	-69.38	383.26	0.94	-68.44
O=C(C[NH+]1CCCCCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029601008	0	55	0.0	-69.25	394.50	1.94	-67.31
CN1C=C[N+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)=C1	REAL300029601013	0	47	0.0	-66.67	373.74	3.14	-63.53
CN(C)CC1=CC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)O1	REAL300029601025	0	52	0.0	-69.57	401.08	1.77	-67.80
C[NH+](C)CC1=CC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)O1	REAL300029601025	1	52	0.0	-69.57	401.08	1.77	-67.80
O=C(CN1CCC(O)CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029601038	0	53	0.0	-72.79	394.58	-1.98	-74.77
O=C(C[NH+]1CCC(O)CC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029601038	1	53	0.0	-72.79	394.58	-1.98	-74.77
C[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO)C1CC1	REAL300029601042	0	49	0.0	-67.09	371.12	0.94	-66.15
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO)N1CCN(C)CC1	REAL300029601044	0	57	0.0	-68.88	416.83	-0.55	-69.43
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO)N1CC[NH+](C)CC1	REAL300029601044	1	57	0.0	-68.88	416.83	-0.55	-69.43
O=C(CC[N@@H+]1CCC(F)C1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029601046	0	52	0.0	-75.03	395.90	1.39	-73.64
CC(CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO)C[NH+](C)C	REAL300029601069	0	54	0.0	-72.73	398.54	1.58	-71.15
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC[N@@H+]3CCOCC23)C(CCO)C1	REAL300029601081	0	54	0.0	-71.91	395.24	-0.12	-72.03
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC[N@H+]3CCOCC23)C(CCO)C1	REAL300029601081	1	54	0.0	-71.91	395.24	-0.12	-72.03
CN1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029601099	0	53	0.0	-74.50	392.15	-0.53	-75.03
C[N@@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029601099	1	53	0.0	-66.52	385.32	-0.73	-67.25
C[N@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029601099	1	53	0.0	-66.52	385.32	-0.73	-67.25
CC1=CC(N)=NC=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029601145	0	48	0.0	-65.75	374.25	-1.05	-66.80
CC1=CC(N)=[NH+]C=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029601145	1	48	0.0	-65.75	374.25	-1.05	-66.80
CC1(O)CC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C1	REAL300029601179	0	53	0.0	-68.61	398.02	-1.96	-70.57
C[NH+]1CC(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C1	REAL300029601209	0	49	0.0	-69.92	373.21	0.40	-69.52
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC[N@@H+]2C2CCCC2)C(CCO)C1	REAL300029601213	0	56	0.0	-66.31	407.76	2.09	-64.22
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC[N@H+]2C2CCCC2)C(CCO)C1	REAL300029601213	1	56	0.0	-66.31	407.76	2.09	-64.22
C[N@H+](CCO)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029601247	0	52	0.0	-69.94	392.09	-2.41	-72.35
C[N@@H+](CCO)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029601247	1	52	0.0	-69.94	392.09	-2.41	-72.35
C[N@@H+]1CCCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029601262	0	55	0.0	-63.39	393.95	1.66	-61.73
C[N@H+]1CCCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029601262	1	55	0.0	-63.39	393.95	1.66	-61.73
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3CCO)C=CN2C=N1	REAL300029601278	0	50	0.0	-68.00	391.64	3.77	-64.23
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3CCO)C=CN2C=[NH+]1	REAL300029601278	1	50	0.0	-68.00	391.64	3.77	-64.23
CC1CCN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029601282	0	49	0.0	-66.69	367.46	0.34	-66.35
CC1CC[N@@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029601282	1	49	0.0	-67.86	373.28	0.66	-67.20
CC1CC[N@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029601282	1	49	0.0	-67.86	373.28	0.66	-67.20
C[NH+](C)CC=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029601290	0	49	0.0	-72.65	378.68	0.90	-71.75
CC1(C)CN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C1	REAL300029601301	0	52	0.0	-68.97	392.80	1.15	-67.82
CC1(C)C[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C1	REAL300029601301	1	52	0.0	-68.97	392.80	1.15	-67.82
CC1=C(C)NC(CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)=N1	REAL300029601315	0	53	0.0	-63.96	412.00	0.85	-63.11
CC1=C(C)[NH+]=C(CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)N1	REAL300029601315	1	53	0.0	-63.96	412.00	0.85	-63.11
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3CCO)C=CN2C=N1	REAL300029601325	0	50	0.0	-68.00	391.64	3.77	-64.23
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3CCO)C=CN2C=[NH+]1	REAL300029601325	1	50	0.0	-68.00	391.64	3.77	-64.23
C[NH+](C)CCSCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029601333	0	52	0.0	-73.06	408.61	1.57	-71.49
O=C(C[N@@H+]1CCCC1CO)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029601356	0	53	0.0	-67.35	397.13	-1.91	-69.26
CC[NH+](CC)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029601360	0	51	0.0	-67.66	373.34	0.61	-67.05
C[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO)C1CCSC1	REAL300029601370	0	53	0.0	-74.65	401.78	1.89	-72.76
O=C(CN1CCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029601372	0	46	0.0	-69.27	352.71	0.03	-69.24
O=C(C[NH+]1CCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029601372	1	46	0.0	-69.27	352.71	0.03	-69.24
CC[NH+](CC)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029601406	0	54	0.0	-69.50	399.03	1.50	-68.00
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC3COCC[N@@H+]3C2)C(CCO)C1	REAL300029601472	0	54	0.0	-68.43	396.70	-0.21	-68.64
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC3COCC[N@H+]3C2)C(CCO)C1	REAL300029601472	1	54	0.0	-68.43	396.70	-0.21	-68.64
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO)N1CCC1	REAL300029601482	0	49	0.0	-67.16	362.68	0.77	-66.39
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO)[NH+]1CCC1	REAL300029601482	1	49	0.0	-67.16	362.68	0.77	-66.39
CCC(CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO)C[NH+](C)C	REAL300029601487	0	57	0.0	-66.93	414.38	2.15	-64.78
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029601537	0	52	0.0	-64.13	379.10	1.03	-63.10
CC1CN2CC[N@@H+]1CC2C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029601549	0	55	0.0	-71.24	389.80	-1.91	-73.15
C[NH+](C)CC(O)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029601569	0	52	0.0	-73.70	394.42	-1.54	-75.24
C[NH+]1C2CCC1CC(C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)CC1CCO)C2	REAL300029601571	0	56	0.0	-67.92	396.66	1.47	-66.45
C=CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO)[NH+](C)C	REAL300029601602	0	52	0.0	-65.94	382.34	1.05	-64.89
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C(CCO)C1	REAL300029601609	0	56	0.0	-65.63	406.17	2.18	-63.45
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC3CCCC[N@H+]3C2)C(CCO)C1	REAL300029601609	1	56	0.0	-65.63	406.17	2.18	-63.45
C[NH+]1CCC(O)(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)CC1	REAL300029601618	0	56	0.0	-70.62	412.03	-0.32	-70.94
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C(CCO)C3)C=CN2C=N1	REAL300029601687	0	50	0.0	-79.03	398.95	3.48	-75.55
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C(CCO)C3)C=CN2C=[NH+]1	REAL300029601687	1	50	0.0	-79.03	398.95	3.48	-75.55
C[NH+](C)CCSCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029601696	0	52	0.0	-76.02	409.05	1.55	-74.47
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC3COCC[N@@H+]3C2)CC1CCO	REAL300029601703	0	54	0.0	-74.00	397.80	-0.21	-74.21
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2CC3COCC[N@H+]3C2)CC1CCO	REAL300029601703	1	54	0.0	-74.00	397.80	-0.21	-74.21
C[N@@H+]1CCCC1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029601865	0	49	0.0	-72.98	380.98	4.28	-68.70
C[N@H+]1CCCC1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029601865	1	49	0.0	-73.26	382.42	4.39	-68.87
C[N@@H+]1CCOC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029601889	1	50	0.0	-77.45	384.72	3.61	-73.84
C[N@H+]1CCOC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029601889	1	50	0.0	-81.54	385.12	3.54	-78.00
CC(C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCCCCC1	REAL300029602060	0	58	0.0	-71.99	428.83	5.77	-66.22
CC(C)[N@@H+]1CCCCC1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029602062	0	58	0.0	-70.65	421.80	5.68	-64.97
CC(C)[N@H+]1CCCCC1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029602062	1	58	0.0	-67.76	423.56	5.78	-61.98
CC(C)[N@@H+]1CCCC1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029602083	0	55	0.0	-70.59	409.85	5.79	-64.80
CC(C)[N@H+]1CCCC1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029602083	1	55	0.0	-74.21	410.28	5.99	-68.22
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3CC4CCCC[N@@H+]4C3)C2)C1	REAL300029602100	0	56	0.0	-80.42	423.40	5.93	-74.49
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3CC4CCCC[N@H+]4C3)C2)C1	REAL300029602100	1	56	0.0	-75.46	425.80	6.04	-69.42
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029602122	1	53	0.0	-71.52	424.23	6.07	-65.45
CC1=[NH+]C=CN1CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029602156	1	47	0.0	-72.95	387.98	4.93	-68.02
CC(C[NH+]1CCOCC1)C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029602158	0	56	0.0	-79.65	431.51	4.07	-75.58
O=C(CCC[NH+]1CCCCC1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029602175	0	58	0.0	-77.77	444.08	6.57	-71.20
CC(C)(C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCCCC1	REAL300029602194	0	58	0.0	-75.90	423.58	6.33	-69.57
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3C[NH+]4CCC3CC4)C2)C1	REAL300029602204	0	53	0.0	-82.89	398.95	5.12	-77.77
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3CCCC4CCC[N@@H+]43)C2)C1	REAL300029602250	0	56	0.0	-66.98	425.43	6.19	-60.79
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3CCCC4CCC[N@H+]43)C2)C1	REAL300029602250	1	56	0.0	-68.69	412.39	5.67	-63.02
C[C@@H]1[C@H](C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029602266	0	52	0.0	-77.15	395.15	4.33	-72.82
C[C@@H]1[C@H](C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029602266	1	52	0.0	-74.54	400.22	5.04	-69.50
CC[C@@H]1[C@@H](C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029602271	0	55	0.0	-75.14	411.82	5.01	-70.13
CC[C@@H]1[C@@H](C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029602271	1	55	0.0	-76.61	415.66	5.52	-71.09
CC[N@@H+]1CCOC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029602286	1	53	0.0	-87.21	411.44	4.42	-82.79
CC[N@H+]1CCOC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029602286	1	53	0.0	-79.25	404.72	4.27	-74.98
CC[NH+](CC)CC(F)C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029602332	0	54	0.0	-78.87	420.93	5.41	-73.46
CC1CCC(C)[NH+]1CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029602405	0	55	0.0	-68.81	415.87	5.33	-63.48
O=C(CCC[NH+]1CCCC1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029602411	0	55	0.0	-77.50	426.82	5.78	-71.72
C[NH+](C)CC1=CC=CC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300029602412	0	55	0.0	-77.84	433.02	6.50	-71.34
C#CC[NH+]1CCC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029602417	0	54	0.0	-82.76	426.08	6.01	-76.75
O=C(CC[NH+]1CCCCC1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029602418	0	55	0.0	-77.51	422.71	5.89	-71.62
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029602421	0	55	0.0	-69.41	429.62	6.47	-62.94
CC[N@@H+]1CCCCC1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029602425	0	55	0.0	-72.64	407.10	5.21	-67.43
CC[N@H+]1CCCCC1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029602425	1	55	0.0	-71.38	418.22	5.65	-65.73
C[NH+](C)C(C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=CC=C1	REAL300029602428	1	55	0.0	-70.71	429.48	6.71	-64.00
CC(C)C[N@@H+]1CCC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029602445	0	58	0.0	-75.31	440.43	6.15	-69.16
CC(C)C[N@H+]1CCC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029602445	1	58	0.0	-75.05	443.73	6.34	-68.71
C[NH+](C)C1(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCC1	REAL300029602449	0	52	0.0	-75.12	390.45	4.44	-70.68
CC(C)[N@@H+]1CCCC1CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029602451	0	58	0.0	-69.88	430.78	5.62	-64.26
CC(C)[N@H+]1CCCC1CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029602451	1	58	0.0	-67.35	430.46	5.86	-61.49
CC(C)[C@@H](C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029602466	0	54	0.0	-73.82	401.84	5.03	-68.79
C[N@H+](CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300029602515	0	52	0.0	-73.70	404.68	5.33	-68.37
C[N@@H+](CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300029602515	1	52	0.0	-73.96	404.81	5.34	-68.62
CC(C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1C(C)CCC1C	REAL300029602579	0	58	0.0	-67.00	425.62	5.70	-61.30
CN(CCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=[NH+]C=C1	REAL300029602635	0	54	0.0	-71.54	433.87	5.16	-66.38
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029602643	1	51	0.0	-73.83	404.30	5.15	-68.68
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029602643	1	51	0.0	-74.48	410.55	5.70	-68.78
C[N@@H+]1CCCC1CCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029602649	0	55	0.0	-80.58	425.92	5.95	-74.63
C[N@H+]1CCCC1CCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029602649	1	55	0.0	-76.45	421.23	5.52	-70.93
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1	REAL300029602660	0	56	0.0	-82.06	408.28	5.18	-76.88
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3CCC4CCCC[N@@H+]43)C2)C1	REAL300029602667	0	56	0.0	-68.10	426.06	6.27	-61.83
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3CCC4CCCC[N@H+]43)C2)C1	REAL300029602667	1	56	0.0	-68.96	419.62	5.95	-63.01
O=C(CCCC[NH+]1CCCC1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029602687	0	58	0.0	-75.17	450.32	6.71	-68.46
C[N@H+](CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC1=CC=CC=C1	REAL300029602689	1	55	0.0	-80.33	435.24	6.93	-73.40
C[N@@H+](CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC1=CC=CC=C1	REAL300029602689	1	55	0.0	-80.35	435.19	6.94	-73.41
C[NH+]1CCC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029602700	0	52	0.0	-81.95	400.91	4.81	-77.14
C[NH+](C)CC1=CC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=NO1	REAL300029602741	1	51	0.0	-82.05	416.18	4.56	-77.49
CC1=C(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=CC2=C[NH+]=CN21	REAL300029602742	0	50	0.0	-80.47	411.22	7.16	-73.31
C[N@@H+]1CCCCC1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029602774	0	52	0.0	-70.86	386.99	4.57	-66.29
C[N@H+]1CCCCC1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029602774	1	52	0.0	-71.11	388.49	4.62	-66.49
CC(C)C[N@@H+]1CCCC1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029602797	0	58	0.0	-70.04	440.49	6.43	-63.61
CC(C)C[N@H+]1CCCC1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029602797	1	58	0.0	-69.88	440.85	6.58	-63.30
O=C(C1=CN2C=[NH+]C=C2C=C1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029602902	0	47	0.0	-75.38	384.40	6.54	-68.84
CC1=[NH+]C=CN1CCCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029602911	1	53	0.0	-74.70	429.55	6.35	-68.35
C[NH+](C)CC1=CC=C(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=C1	REAL300029602916	0	55	0.0	-87.20	432.63	6.47	-80.73
O=C(CC[NH+]1CCOCC1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029602917	1	53	0.0	-77.37	414.41	3.51	-73.86
CC1=C[NH+]=CN1CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029602948	1	47	0.0	-75.89	388.35	5.68	-70.21
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029602954	1	54	0.0	-75.09	430.33	7.51	-67.58
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C34CCC[NH+]3CCC4)C2)C1	REAL300029602990	0	53	0.0	-74.54	393.08	4.87	-69.67
C[NH+](C)C1CCCC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029603019	0	58	0.0	-73.99	435.33	6.11	-67.88
C[N@@H+]1CCC(CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029603022	0	52	0.0	-75.71	405.86	5.04	-70.67
C[N@H+]1CCC(CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029603022	1	52	0.0	-76.59	404.88	4.96	-71.63
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029603034	0	51	0.0	-84.77	407.54	3.63	-81.14
CCC(C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029603039	0	51	0.0	-71.79	391.66	4.53	-67.26
C[NH+](C)C1(CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCCC1	REAL300029603053	0	58	0.0	-75.68	422.99	5.93	-69.75
O=C(C1=CC2=C[NH+]=CN2C=C1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029603097	1	47	0.0	-79.47	384.67	6.55	-72.92
C[NH+](C)CCCCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029603155	0	54	0.0	-76.50	424.37	5.62	-70.88
CC(C)C(C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029603175	0	54	0.0	-74.69	404.01	5.13	-69.56
CCC[N@H+](C)CCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029603177	0	54	0.0	-79.06	420.30	5.42	-73.64
CCC[N@@H+](C)CCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029603177	1	54	0.0	-75.58	420.59	5.37	-70.21
CCC[N@H+](C)CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029603183	0	51	0.0	-75.95	397.81	4.77	-71.18
CCC[N@@H+](C)CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029603183	1	51	0.0	-76.06	397.94	4.87	-71.19
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C34CC[N@H+](C3)CCC4)C2)C1	REAL300029603207	0	53	0.0	-84.53	393.75	4.36	-80.17
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C34CC[N@@H+](C3)CCC4)C2)C1	REAL300029603207	1	53	0.0	-79.11	394.98	4.35	-74.76
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029603247	0	49	0.0	-72.31	377.52	3.95	-68.36
C[N@H+]1CCC[C@@H]1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029603247	1	49	0.0	-73.23	379.97	4.23	-69.00
CCCCCC[N@H+](C)CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029603307	0	60	0.0	-77.34	462.30	7.11	-70.23
CCCCCC[N@@H+](C)CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029603307	1	60	0.0	-77.29	462.31	7.10	-70.19
CC[NH+](CC)C(C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C(C)C	REAL300029603312	0	60	0.0	-67.05	434.68	6.40	-60.65
CC[NH+](CC)CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029603321	0	51	0.0	-71.23	390.44	4.46	-66.77
CCC[N@@H+]1CCCC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029603353	0	58	0.0	-78.60	433.87	6.22	-72.38
CCC[N@H+]1CCCC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029603353	1	58	0.0	-73.25	440.28	6.28	-66.97
CC(C)[N@@H+]1CCOC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029603370	0	56	0.0	-78.52	419.61	4.76	-73.76
CC(C)[N@H+]1CCOC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029603370	1	56	0.0	-80.16	428.68	4.90	-75.26
CC1CC[NH+](CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029603402	0	55	0.0	-76.24	421.28	5.93	-70.31
C[NH+]1CCC(OCC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029603430	0	56	0.0	-80.37	439.05	5.63	-74.74
C[NH+](C)CC1(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029603444	0	52	0.0	-78.26	398.18	4.95	-73.31
CC1=[NH+]C=C2CCC(C(=O)N3CC(C4CCN(C(=O)C5=CC(=O)[N-]O5)C4)C3)CN21	REAL300029603445	1	54	0.0	-68.74	427.54	6.05	-62.69
CC(C)[NH+]1CCC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029603520	0	58	0.0	-75.19	435.44	6.11	-69.08
C[NH+]1CCC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029603541	0	52	0.0	-81.95	400.91	4.81	-77.14
CC(C)[C@H](C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029603559	0	54	0.0	-73.20	401.34	4.93	-68.27
CCC(C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](CC)CC	REAL300029603590	0	57	0.0	-69.68	423.00	5.67	-64.01
CC[N@H+](C)CCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029603652	0	51	0.0	-78.32	398.81	4.68	-73.64
CC[N@@H+](C)CCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029603652	1	51	0.0	-74.87	399.08	4.63	-70.24
CC1CCC[N@@H+]1CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029603708	0	52	0.0	-69.74	397.05	4.81	-64.93
CC1CCC[N@H+]1CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029603708	1	52	0.0	-69.93	403.89	5.14	-64.79
CC1CC[N@H+](CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029603710	0	52	0.0	-71.95	405.25	5.19	-66.76
CC1CC[N@@H+](CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029603710	1	52	0.0	-72.27	403.70	5.20	-67.07
CC1=[NH+]C=C2CC(C(=O)N3CC(C4CCN(C(=O)C5=CC(=O)[N-]O5)C4)C3)CCN21	REAL300029603712	1	54	0.0	-71.63	425.67	6.04	-65.59
CC1(C)CC[N@H+](CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029603715	0	55	0.0	-72.18	423.81	5.67	-66.51
CC1(C)CC[N@@H+](CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029603715	1	55	0.0	-75.41	424.83	5.71	-69.70
C[N@H+](CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC(C)(C)C	REAL300029603716	0	57	0.0	-75.95	426.55	5.84	-70.11
C[N@@H+](CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC(C)(C)C	REAL300029603716	1	57	0.0	-75.75	428.49	6.00	-69.75
CC[C@@H](C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029603725	0	51	0.0	-73.20	389.42	4.44	-68.76
C[NH+]1CCC(O)(CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029603904	0	56	0.0	-75.69	429.69	3.83	-71.86
C[NH+](C)CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029603916	0	45	0.0	-76.58	358.58	3.44	-73.14
O=C(C[NH+]1CCC(CO)CC1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029603920	0	56	0.0	-74.36	432.77	2.56	-71.80
O=C(C[NH+]1CCCCCC1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029603922	0	55	0.0	-74.93	409.55	5.40	-69.53
CN1C=C[N+](CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300029603926	0	47	0.0	-71.24	390.37	6.99	-64.25
C[N@@H+]1CCCC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029603933	0	52	0.0	-70.44	394.60	4.98	-65.46
C[N@H+]1CCCC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029603933	1	52	0.0	-78.86	394.60	4.90	-73.96
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3CCC[N@@H+]3C3CC3)C2)C1	REAL300029603938	0	53	0.0	-74.53	408.17	5.15	-69.38
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3CCC[N@H+]3C3CC3)C2)C1	REAL300029603938	1	53	0.0	-70.71	408.00	5.26	-65.45
CC(C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCC1	REAL300029603967	0	49	0.0	-71.52	381.17	4.12	-67.40
CCC(CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300029603973	0	57	0.0	-69.73	434.38	6.10	-63.63
C[NH+](C)CC(C)(C)C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029603980	0	54	0.0	-74.10	401.97	4.66	-69.44
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)C2)C1	REAL300029603998	0	54	0.0	-71.98	414.18	5.79	-66.19
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C34CC(C3)C[N@H+]4C3CC3)C2)C1	REAL300029603998	1	54	0.0	-77.85	411.96	6.74	-71.11
O=C(C[NH+]1CCC(O)CC1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604009	1	53	0.0	-80.64	411.91	1.97	-78.67
C[N@H+](CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029604010	0	49	0.0	-72.99	387.86	4.85	-68.14
C[N@@H+](CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029604010	1	49	0.0	-73.65	388.13	4.86	-68.79
CC(C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)N1CC[NH+](C)CC1	REAL300029604011	1	57	0.0	-76.87	431.32	3.22	-73.65
C[NH+]1CC(CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029604030	0	49	0.0	-78.04	389.86	4.27	-73.77
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3CC[N@@H+]3C3CCCC3)C2)C1	REAL300029604034	0	56	0.0	-72.96	431.08	6.39	-66.57
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3CC[N@H+]3C3CCCC3)C2)C1	REAL300029604034	1	56	0.0	-72.90	429.75	6.25	-66.65
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604042	0	55	0.0	-70.72	397.68	4.49	-66.23
CC(C)(C)[N@H+]1CCC1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604042	1	55	0.0	-69.96	419.98	5.09	-64.87
C[C@@H](C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029604053	0	48	0.0	-75.11	376.12	3.81	-71.30
CCC1CCC[N@H+](CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029604095	0	58	0.0	-76.06	440.25	6.58	-69.48
CCC1CCC[N@@H+](CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029604095	1	58	0.0	-76.11	432.51	6.51	-69.60
C[NH+](C)CC1=CC=C(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)N1	REAL300029604103	0	53	0.0	-89.74	420.94	4.86	-84.88
[NH2+]=C1SC=CN1CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604148	0	45	0.0	-72.66	385.65	3.53	-69.13
C[N@H+](CCO)CCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604158	0	52	0.0	-74.74	409.44	1.40	-73.34
C[N@@H+](CCO)CCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604158	1	52	0.0	-77.75	409.14	1.43	-76.32
C[C@@H](C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029604159	0	48	0.0	-75.11	376.12	3.81	-71.30
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604163	0	52	0.0	-73.52	387.52	4.60	-68.92
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604163	1	52	0.0	-72.50	401.01	5.06	-67.44
CC1CN2CC[N@@H+]1CC2C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604172	0	55	0.0	-82.84	408.50	2.12	-80.72
CC1CN2CC[N@H+]1CC2C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604172	1	55	0.0	-78.57	408.08	2.21	-76.36
O=C(CC1=CC2=C[NH+]=CN2C=C1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604218	0	50	0.0	-73.83	413.40	7.58	-66.25
C[N@H+](CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCSC1	REAL300029604243	0	53	0.0	-80.04	419.32	5.58	-74.46
C[N@@H+](CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCSC1	REAL300029604243	1	53	0.0	-77.87	418.26	5.65	-72.22
O=C(C[NH+]1CCC1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604244	1	46	0.0	-76.54	369.01	3.92	-72.62
C[NH+](C)CC1=CC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC=N1	REAL300029604274	1	54	0.0	-77.34	428.11	4.57	-72.77
C[N@@H+]1CCC(=CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029604276	0	50	0.0	-80.53	397.82	4.91	-75.62
C[N@H+]1CCC(=CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029604276	1	50	0.0	-80.57	397.32	4.99	-75.58
C[NH+](C)CCOCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604310	0	52	0.0	-74.27	415.01	4.58	-69.69
CCCCC[N@H+](C)CCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604316	0	60	0.0	-80.02	463.30	6.98	-73.04
CCCCC[N@@H+](C)CCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604316	1	60	0.0	-76.53	463.58	6.93	-69.60
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029604325	0	56	0.0	-75.93	434.32	5.64	-70.29
C=CCC(C)(C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029604332	0	55	0.0	-73.42	406.95	5.14	-68.28
C[S+](C)CCC(O)C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604337	0	51	0.0	-83.76	421.19	2.95	-80.81
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604364	0	53	0.0	-79.53	399.72	1.15	-78.38
CN1CC[N@H+](C)CC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029604376	0	57	0.0	-75.74	432.02	3.04	-72.70
CN1CC[N@@H+](C)CC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029604376	1	57	0.0	-75.74	432.02	3.04	-72.70
CC(C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[N@@H+]1CCCC(O)C1	REAL300029604377	0	56	0.0	-71.55	428.07	2.48	-69.07
C[N@@H+]1CCCC(O)(CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029604396	0	56	0.0	-76.40	416.27	3.73	-72.67
C[N@H+]1CCCC(O)(CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029604396	1	56	0.0	-76.40	416.27	3.73	-72.67
CC1CN(CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029604399	0	49	0.0	-76.28	390.01	4.53	-71.75
CC1C[NH+](CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029604399	1	49	0.0	-76.28	390.01	4.53	-71.75
CN(CCO)CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604426	0	49	0.0	-73.57	387.22	0.91	-72.66
C[N@H+](CCO)CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604426	1	49	0.0	-76.50	386.45	0.79	-75.71
C[N@@H+](CCO)CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604426	1	49	0.0	-76.50	386.45	0.79	-75.71
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3C[N@@H+]4CCN3CCC4)C2)C1	REAL300029604449	0	55	0.0	-87.38	404.26	3.04	-84.34
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3C[N@H+]4CCN3CCC4)C2)C1	REAL300029604449	1	55	0.0	-87.38	404.26	3.04	-84.34
CC[N@@H+]1CCCC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029604455	0	55	0.0	-66.91	411.80	5.66	-61.25
CC[N@H+]1CCCC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029604455	1	55	0.0	-66.91	411.80	5.66	-61.25
CC(CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300029604457	0	54	0.0	-75.61	416.16	5.49	-70.12
CC[N@H+](C)CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604470	0	48	0.0	-75.67	376.31	4.02	-71.65
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C34CCC[N@@H+]3CCCC4)C2)C1	REAL300029604498	0	56	0.0	-71.70	411.24	5.63	-66.07
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C34CCC[N@H+]3CCCC4)C2)C1	REAL300029604498	1	56	0.0	-71.70	411.24	5.63	-66.07
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C34CCC[N@@H+]3CC=CC4)C2)C1	REAL300029604505	0	54	0.0	-70.64	403.03	5.37	-65.27
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C34CCC[N@H+]3CC=CC4)C2)C1	REAL300029604505	1	54	0.0	-70.64	403.03	5.37	-65.27
CC[N@H+](CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029604526	0	52	0.0	-73.06	404.77	5.47	-67.59
CC[NH+](CC)CCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604544	0	54	0.0	-73.85	416.95	5.40	-68.45
CC1(C)CN(CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029604569	0	52	0.0	-76.32	409.19	4.96	-71.36
CC1(C)C[NH+](CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029604569	1	52	0.0	-76.32	409.19	4.96	-71.36
CC1(O)CC[N@H+](CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029604597	0	53	0.0	-73.22	414.79	1.85	-71.37
C[NH+](C)CC=CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604604	0	49	0.0	-81.69	394.43	4.64	-77.05
CC(OCC[NH+](C)C)C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604626	0	55	0.0	-77.82	430.95	5.05	-72.77
C[NH+](C)CCOCCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604635	0	55	0.0	-74.27	435.82	4.20	-70.07
COCCN(C)CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604636	0	52	0.0	-76.22	408.70	3.19	-73.03
COCC[N@H+](C)CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604636	1	52	0.0	-76.95	408.92	3.18	-73.77
COCC[N@@H+](C)CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604636	1	52	0.0	-76.95	408.92	3.18	-73.77
C[NH+](C)C1(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCCC1	REAL300029604672	0	55	0.0	-80.31	401.06	5.04	-75.27
CC(CCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029604675	0	54	0.0	-77.05	412.65	5.21	-71.84
CC[N@@H+]1CCC1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604684	0	49	0.0	-75.73	390.45	4.40	-71.33
CC(C)[N@@H+]1CCCC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029604694	0	58	0.0	-74.89	435.44	6.03	-68.86
CC(C)[N@H+]1CCCC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029604694	1	58	0.0	-74.89	435.44	6.03	-68.86
O=C(C[N@H+]1CCCC1CO)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604707	0	53	0.0	-75.23	411.90	2.05	-73.18
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3CC4CCCC[N@@H+]4C3)C2)C1	REAL300029604729	0	56	0.0	-75.46	425.80	6.04	-69.42
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3CC4CCCC[N@H+]4C3)C2)C1	REAL300029604729	1	56	0.0	-75.46	425.80	6.04	-69.42
C[NH+]1CCC(C)(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029604735	0	55	0.0	-76.19	409.99	4.99	-71.20
C=CCC(C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029604765	0	52	0.0	-74.94	404.06	5.06	-69.88
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604778	0	55	0.0	-75.08	418.13	5.00	-70.08
C[N@H+]1CC(C)(C)CC1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604778	1	55	0.0	-75.08	418.13	5.00	-70.08
C[NH+](C)CCCCCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604782	0	57	0.0	-76.06	445.87	6.40	-69.66
O=C(C[NH+]1CC2CC2C1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604790	0	50	0.0	-72.51	394.60	5.36	-67.15
CC1C[N@@H+]2CCN1C(C(=O)N1CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029604817	0	55	0.0	-84.25	410.10	2.29	-81.96
CCCC(C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029604818	0	54	0.0	-75.10	411.56	5.28	-69.82
C[NH+](C)C(C)(C)C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604822	0	51	0.0	-75.66	381.57	4.56	-71.10
C[N@@H+]1CCCCC1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604864	0	52	0.0	-70.86	386.99	4.57	-66.29
C[N@H+]1CCCCC1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604864	1	52	0.0	-71.11	388.49	4.62	-66.49
C[N@H+]1CC=C(CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029604904	0	53	0.0	-75.87	417.68	5.78	-70.09
C[N@@H+]1CC=C(CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029604904	1	53	0.0	-72.33	418.08	5.72	-66.61
O=C(CC1([NH+]2CCCC2)CC1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604913	0	56	0.0	-70.24	424.31	6.22	-64.02
C[NH+](C)CC1=CC=C(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029604962	1	52	0.0	-80.60	421.60	5.24	-75.36
C[NH+](C)CC1=CC=C(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=N1	REAL300029604967	0	54	0.0	-85.48	428.31	4.63	-80.85
O=C(C=CC[NH+]1CCCC1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604979	0	53	0.0	-77.00	421.16	5.79	-71.21
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3CC[NH+](C4CC4)CC3)C2)C1	REAL300029605003	0	56	0.0	-79.31	425.52	6.09	-73.22
C[NH+](C)C1(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029605024	0	49	0.0	-75.59	383.92	4.35	-71.24
O=C(CC[NH+]1CCCC1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605026	0	52	0.0	-77.71	407.04	5.19	-72.52
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3C[NH+]4CCN3CC4)C2)C1	REAL300029605064	0	52	0.0	-84.18	393.49	1.77	-82.41
C[N@@H+]1CC2CC1(C(=O)N1CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029605074	0	50	0.0	-80.58	387.33	4.67	-75.91
C[N@H+]1CC2CC1(C(=O)N1CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029605074	1	50	0.0	-80.51	383.87	4.56	-75.95
O=C(C[N@@H+]1CC2CCC1C2)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605088	0	53	0.0	-73.22	402.92	5.28	-67.94
O=C(C[N@H+]1CC2CCC1C2)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605088	1	53	0.0	-73.23	403.64	5.39	-67.84
O=C(C=C1C[NH+]2CCC1CC2)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605129	0	54	0.0	-72.61	414.86	5.85	-66.76
O=C(C[N@@H+]1CC2C=CC1C2)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605139	1	51	0.0	-74.02	398.77	5.38	-68.64
O=C(C[N@H+]1CC2C=CC1C2)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605139	1	51	0.0	-69.77	397.36	5.31	-64.46
CC[NH+]1CCN(CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029605171	0	57	0.0	-75.48	434.84	3.48	-72.00
CC(C[NH+](C)C)C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605191	0	51	0.0	-69.77	395.06	4.49	-65.28
C[N@@H+]1CCCCC1CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605269	0	55	0.0	-67.02	410.70	5.46	-61.56
C[N@H+]1CCCCC1CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605269	1	55	0.0	-75.78	417.67	5.63	-70.15
CC1=C2C=C(C(=O)N3CC(C4CCN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C=CN2C=[NH+]1	REAL300029605285	1	50	0.0	-77.37	407.00	7.03	-70.34
CC(C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CC(C)C1	REAL300029605286	0	52	0.0	-71.03	404.38	4.99	-66.04
CC1CC[N@@H+]1CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605289	0	49	0.0	-71.01	384.69	4.20	-66.81
CC1CC[N@H+]1CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605289	1	49	0.0	-71.72	390.04	4.46	-67.26
C[NH+](C)CC(O)CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605294	0	52	0.0	-78.71	411.47	2.45	-76.26
CC1C[N@H+](C)CC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029605322	1	53	0.0	-77.84	407.79	4.28	-73.56
CC1C[N@@H+](C)CC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029605322	1	53	0.0	-89.69	415.24	4.45	-85.24
O=C(CC[NH+]1CCC(O)CC1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605331	0	56	0.0	-80.92	433.67	2.53	-78.39
CCC[N@@H+]1CCCCC1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605333	0	58	0.0	-69.37	439.12	6.40	-62.97
CCC[N@H+]1CCCCC1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605333	1	58	0.0	-72.43	439.80	6.35	-66.08
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029605412	0	52	0.0	-75.05	408.25	5.18	-69.87
CC(CC[NH+](C)C)C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605420	0	54	0.0	-75.47	416.71	5.05	-70.42
C[N@H+](CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[C@@H]1CCC[C@H]1O	REAL300029605441	0	56	0.0	-69.22	428.91	2.76	-66.46
C[N@@H+](CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[C@@H]1CCC[C@H]1O	REAL300029605441	1	56	0.0	-71.34	429.64	2.64	-68.70
C#CC[N@H+]1CCCCC1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605450	1	54	0.0	-69.60	425.57	6.21	-63.39
C#CC[N@@H+]1CCCCC1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605450	1	54	0.0	-72.33	425.92	6.14	-66.19
C[NH+]1CCN(CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029605453	1	54	0.0	-74.55	418.21	2.95	-71.60
CC[NH+]1CCN(CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029605462	0	57	0.0	-75.48	434.84	3.48	-72.00
NC(=[NH2+])SCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605488	0	43	0.0	-75.26	367.67	0.36	-74.90
CC[N@@H+]1CCOCC1CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605525	0	56	0.0	-80.52	426.73	3.81	-76.71
C[NH+](C)C1CCC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029605541	0	58	0.0	-73.01	428.58	5.83	-67.18
C[NH+](C)CCC1(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029605542	0	55	0.0	-75.57	433.52	5.93	-69.64
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029605544	0	58	0.0	-72.92	428.39	5.90	-67.02
C[N@@H+]1CC=CCC1CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605545	0	53	0.0	-67.53	404.64	5.47	-62.06
C[N@H+]1CC=CCC1CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605545	1	53	0.0	-67.53	404.64	5.47	-62.06
C[C@@H](OCC[NH+](C)C)C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605568	0	55	0.0	-72.53	430.21	5.10	-67.43
C[NH+]1C2CCC1CC(C(=O)N1CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029605596	0	56	0.0	-72.11	396.26	5.57	-66.54
CC(C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCSCC1	REAL300029605706	1	53	0.0	-73.63	417.43	5.35	-68.28
CCC1C[NH+](CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029605708	0	52	0.0	-77.16	411.38	5.31	-71.85
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3([NH+]4CCCC4)CCC3)C2)C1	REAL300029605710	0	56	0.0	-77.21	418.49	5.73	-71.48
C[N@@H+]1CCC[C@H]1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605719	0	49	0.0	-70.05	384.47	4.31	-65.74
C[N@H+]1CCC[C@H]1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605719	1	49	0.0	-72.55	377.49	3.85	-68.70
O=C(CC[N@@H+]1CCC(F)C1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605726	1	52	0.0	-79.39	413.13	5.16	-74.23
COC1C[N@@H+](C)C(C)(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029605734	1	56	0.0	-75.23	421.82	3.60	-71.63
O=C(CC[NH+]1CCCCCC1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605743	0	58	0.0	-79.58	432.58	5.98	-73.60
O=C(C[NH+]1CCCCC1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605745	0	52	0.0	-75.50	400.45	5.32	-70.18
CC1C(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029605755	0	52	0.0	-76.10	399.56	4.55	-71.55
CC1C(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029605755	1	52	0.0	-76.46	401.03	4.86	-71.60
C[N@@H+]1CCCCC1CCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605757	0	58	0.0	-80.38	433.23	6.22	-74.16
C[N@H+]1CCCCC1CCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605757	1	58	0.0	-80.27	432.79	6.12	-74.15
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3CC[N@@H+]4CCOCC34)C2)C1	REAL300029605787	0	54	0.0	-71.42	412.55	3.61	-67.81
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3CC[N@H+]4CCOCC34)C2)C1	REAL300029605787	1	54	0.0	-74.24	411.74	3.66	-70.58
CC1=[NH+]C=C2C=CC(C(=O)N3CC(C4CCN(C(=O)C5=CC(=O)[N-]O5)C4)C3)=CN21	REAL300029605792	0	50	0.0	-71.79	405.61	6.30	-65.49
CN1CCOCC1CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605809	0	53	0.0	-83.01	409.72	3.19	-79.82
C[N@@H+]1CCOCC1CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605809	1	53	0.0	-79.17	409.56	3.21	-75.96
C[N@H+]1CCOCC1CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605809	1	53	0.0	-83.01	409.72	3.19	-79.82
CC1=C(C)[NH+]=C(CCC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)N1	REAL300029605817	1	53	0.0	-69.02	429.24	4.76	-64.26
C[N@@H+]1CCCC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605989	0	49	0.0	-72.32	381.28	4.25	-68.07
C[N@H+]1CCCC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605989	1	49	0.0	-73.09	382.32	4.36	-68.73
C[N@@H+]1CCOC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029606015	1	50	0.0	-85.88	392.60	3.67	-82.21
C[N@H+]1CCOC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029606015	1	50	0.0	-77.95	384.79	3.47	-74.48
CC1=[NH+]C=CN1CCCC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029606177	1	53	0.0	-74.48	430.37	6.41	-68.07
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=C1	REAL300029606182	0	55	0.0	-86.09	435.86	6.64	-79.45
O=C(CC[NH+]1CCOCC1)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029606183	1	53	0.0	-79.30	415.23	3.42	-75.88
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1	REAL300029606208	0	53	0.0	-71.34	395.54	4.84	-66.50
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)C2)C1	REAL300029606218	1	47	0.0	-82.17	394.64	6.91	-75.26
C[NH+](C)C1CCCC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029606278	0	58	0.0	-70.57	427.09	5.84	-64.73
C[N@@H+]1CCC(CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029606281	0	52	0.0	-79.75	406.22	5.10	-74.65
C[N@H+]1CCC(CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029606281	1	52	0.0	-79.60	406.27	5.13	-74.47
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029606293	0	51	0.0	-82.07	409.50	3.39	-78.68
CCC(C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029606298	0	51	0.0	-73.73	390.47	4.40	-69.33
C[NH+](C)CCCCC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029606365	0	54	0.0	-77.81	425.33	5.56	-72.25
CC(C)C(C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029606387	0	54	0.0	-71.90	400.33	4.78	-67.12
CCC[N@H+](C)CCC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029606389	0	54	0.0	-77.33	421.56	5.37	-71.96
CCC[N@@H+](C)CCC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029606389	1	54	0.0	-77.34	421.46	5.47	-71.87
CCC[N@H+](C)CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029606395	0	51	0.0	-74.62	399.19	4.81	-69.81
CCC[N@@H+](C)CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029606395	1	51	0.0	-75.72	398.70	4.88	-70.84
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C34CC[N@H+](C3)CCC4)C2)C1	REAL300029606419	0	53	0.0	-77.22	392.46	4.23	-72.99
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C34CC[N@@H+](C3)CCC4)C2)C1	REAL300029606419	1	53	0.0	-78.74	392.41	4.35	-74.39
CCCCCC[N@H+](C)CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029606455	0	60	0.0	-76.88	463.68	7.27	-69.61
CCCCCC[N@@H+](C)CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029606455	1	60	0.0	-76.92	463.68	7.28	-69.64
CC[NH+](CC)C(C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C(C)C	REAL300029606460	0	60	0.0	-71.64	434.30	6.57	-65.07
CC1CC[NH+](CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029606493	0	55	0.0	-74.86	422.44	5.96	-68.90
C[NH+]1CCC(OCC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029606521	0	56	0.0	-81.94	439.82	5.64	-76.30
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3CC4CCCC[N@@H+]4C3)C2)C1	REAL300029606566	0	56	0.0	-75.34	423.91	6.03	-69.31
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3CC4CCCC[N@H+]4C3)C2)C1	REAL300029606566	1	56	0.0	-77.67	423.22	5.97	-71.70
C[NH+](C)CC1(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029606577	0	52	0.0	-78.15	405.95	5.00	-73.15
CC1=[NH+]C=C2CCC(C(=O)N3CCC(C4CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)CN21	REAL300029606578	1	54	0.0	-70.52	428.28	6.10	-64.42
CC(C)[NH+]1CCC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029606589	0	58	0.0	-78.45	434.88	5.99	-72.46
CC[N@H+](C)CCC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029606614	0	51	0.0	-76.59	400.06	4.63	-71.96
CC[N@@H+](C)CCC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029606614	1	51	0.0	-76.53	399.96	4.73	-71.80
CC(C)(C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCCCC1	REAL300029606640	0	58	0.0	-74.87	420.55	5.85	-69.02
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3C[NH+]4CCC3CC4)C2)C1	REAL300029606650	0	53	0.0	-81.23	397.37	5.04	-76.19
C[NH+]1CCC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029606730	0	52	0.0	-81.19	404.22	5.04	-76.15
CC(C)[C@H](C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029606748	0	54	0.0	-74.83	402.51	5.01	-69.82
CC[NH+](CC)CC(F)C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029606843	0	54	0.0	-76.05	420.40	5.24	-70.81
CC(C)C[N@@H+]1CCC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029606878	0	58	0.0	-75.93	442.50	6.35	-69.58
CC(C)C[N@H+]1CCC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029606878	1	58	0.0	-74.93	439.79	6.26	-68.67
C[NH+](C)C1(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCC1	REAL300029606882	0	52	0.0	-77.85	386.54	4.38	-73.47
CCC(C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](CC)CC	REAL300029606913	0	57	0.0	-68.67	421.56	5.49	-63.18
CC1CCC[N@@H+]1CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029606933	0	52	0.0	-72.44	405.99	5.18	-67.26
CC1CCC[N@H+]1CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029606933	1	52	0.0	-71.94	404.80	5.25	-66.69
CC(C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCCCCC1	REAL300029607003	0	58	0.0	-71.48	423.06	5.82	-65.66
CC(C)[N@@H+]1CCCCC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029607005	0	58	0.0	-69.89	430.44	5.93	-63.96
CC(C)[N@H+]1CCCCC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029607005	1	58	0.0	-68.81	429.84	5.87	-62.94
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029607026	0	55	0.0	-72.10	409.31	5.69	-66.41
CC(C)[N@H+]1CCCC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029607026	1	55	0.0	-71.54	414.30	5.38	-66.16
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029607032	0	58	0.0	-67.25	428.65	5.93	-61.32
CC(C)[N@H+]1CCCC1CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029607032	1	58	0.0	-74.89	439.18	6.05	-68.84
CC(C)[C@@H](C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029607047	0	54	0.0	-74.58	401.91	5.21	-69.37
CC1CC[N@H+](CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029607068	0	52	0.0	-73.70	405.01	5.07	-68.63
CC1CC[N@@H+](CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029607068	1	52	0.0	-74.94	406.17	5.22	-69.72
CC1=[NH+]C=C2CC(C(=O)N3CCC(C4CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)CCN21	REAL300029607070	1	54	0.0	-72.56	428.08	6.11	-66.45
CC1(C)CC[N@H+](CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029607073	0	55	0.0	-73.71	424.48	5.64	-68.07
CC1(C)CC[N@@H+](CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029607073	1	55	0.0	-73.79	424.52	5.72	-68.07
C[N@H+](CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC(C)(C)C	REAL300029607074	0	57	0.0	-75.65	427.79	5.92	-69.73
C[N@@H+](CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC(C)(C)C	REAL300029607074	1	57	0.0	-74.35	429.74	5.94	-68.41
CC[C@@H](C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029607083	0	51	0.0	-74.48	388.29	4.49	-69.99
CN(CCC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=[NH+]C=C1	REAL300029607210	0	54	0.0	-72.93	434.44	5.07	-67.86
CC1=[NH+]C=CN1CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029607294	1	47	0.0	-72.62	388.88	5.07	-67.55
CC(C[NH+]1CCOCC1)C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029607296	0	56	0.0	-77.58	427.56	3.88	-73.70
O=C(CCC[NH+]1CCCCC1)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029607313	0	58	0.0	-76.11	445.46	6.66	-69.45
C[NH+](C)CC1=CC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=NO1	REAL300029607331	1	51	0.0	-84.03	415.15	4.62	-79.41
CC1=C(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=CC2=C[NH+]=CN21	REAL300029607332	0	50	0.0	-77.95	411.70	7.08	-70.87
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029607367	1	53	0.0	-71.17	425.61	6.23	-64.94
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3CCCC4CCC[N@@H+]43)C2)C1	REAL300029607403	0	56	0.0	-70.30	411.58	5.46	-64.84
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3CCCC4CCC[N@H+]43)C2)C1	REAL300029607403	1	56	0.0	-70.36	411.14	5.48	-64.88
CC[N@@H+]1CCOC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029607425	1	53	0.0	-84.21	409.97	4.31	-79.90
CC[N@H+]1CCOC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029607425	1	53	0.0	-84.22	410.03	4.30	-79.92
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)C2)C1	REAL300029607478	0	47	0.0	-80.75	394.51	6.80	-73.95
CC1=C[NH+]=CN1CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029607483	1	47	0.0	-75.26	389.23	5.80	-69.46
C[C@@H]1[C@H](C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029607499	0	52	0.0	-79.04	395.35	4.42	-74.62
C[C@@H]1[C@H](C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029607499	1	52	0.0	-78.10	401.37	4.68	-73.42
CC[C@@H]1[C@@H](C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029607504	0	55	0.0	-76.81	412.04	4.98	-71.83
CC[C@@H]1[C@@H](C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029607504	1	55	0.0	-76.23	415.35	5.48	-70.75
CC1CCC(C)[NH+]1CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029607517	0	55	0.0	-70.90	417.11	5.41	-65.49
O=C(CCC[NH+]1CCCC1)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029607523	0	55	0.0	-75.88	429.79	5.95	-69.93
C[NH+](C)CC1=CC=CC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300029607524	0	55	0.0	-90.66	435.33	6.61	-84.05
C#CC[NH+]1CCC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029607530	0	54	0.0	-82.52	429.39	6.26	-76.26
O=C(CC[NH+]1CCCCC1)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029607531	0	55	0.0	-75.94	423.97	5.84	-70.10
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029607535	0	55	0.0	-71.02	432.56	6.65	-64.37
CC[N@@H+]1CCCCC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029607539	0	55	0.0	-73.11	409.60	5.36	-67.75
CC[N@H+]1CCCCC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029607539	1	55	0.0	-70.19	417.20	5.61	-64.58
C[NH+](C)C(C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=CC=C1	REAL300029607542	1	55	0.0	-72.18	427.69	6.58	-65.60
O=C(CN1C=[NH+]C2=C1CCCC2)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029607547	1	54	0.0	-74.49	431.57	7.56	-66.93
C[NH+](C)C1(CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCCC1	REAL300029607583	0	58	0.0	-79.74	423.97	5.97	-73.77
C[N@H+](CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300029607748	0	52	0.0	-72.43	406.06	5.37	-67.06
C[N@@H+](CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300029607748	1	52	0.0	-73.66	405.71	5.46	-68.20
CC(C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1C(C)CCC1C	REAL300029607773	0	58	0.0	-73.37	428.39	5.88	-67.49
O=C(CCCC[NH+]1CCCC1)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029607786	0	58	0.0	-76.49	451.29	6.73	-69.76
C[N@H+](CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC1=CC=CC=C1	REAL300029607788	1	55	0.0	-79.09	436.62	6.98	-72.11
C[N@@H+](CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC1=CC=CC=C1	REAL300029607788	1	55	0.0	-80.22	436.61	7.10	-73.12
C[NH+]1CCC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029607799	0	52	0.0	-81.19	404.22	5.04	-76.15
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029607844	0	49	0.0	-75.02	378.59	3.99	-71.03
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029607844	1	49	0.0	-71.99	381.57	4.24	-67.75
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029607868	1	51	0.0	-72.99	405.13	5.11	-67.88
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029607868	1	51	0.0	-72.24	407.99	5.60	-66.64
C[N@@H+]1CCCC1CCC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029607874	0	55	0.0	-78.35	427.32	5.99	-72.36
C[N@H+]1CCCC1CCC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029607874	1	55	0.0	-76.05	422.05	5.55	-70.50
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1	REAL300029607885	0	56	0.0	-77.33	406.24	5.16	-72.17
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3CCC4CCCC[N@@H+]43)C2)C1	REAL300029607892	0	56	0.0	-70.90	423.34	6.16	-64.74
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3CCC4CCCC[N@H+]43)C2)C1	REAL300029607892	1	56	0.0	-70.88	418.87	5.90	-64.98
CCC[N@@H+]1CCCC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029607965	0	58	0.0	-72.16	434.76	6.43	-65.73
CCC[N@H+]1CCCC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029607965	1	58	0.0	-69.08	432.71	6.41	-62.67
CC(C)[N@@H+]1CCOC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029607982	1	56	0.0	-75.79	418.59	4.68	-71.11
CC(C)[N@H+]1CCOC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029607982	1	56	0.0	-84.56	426.42	4.81	-79.75
C[N@@H+]1CCCCC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029608013	0	52	0.0	-75.89	392.41	4.75	-71.14
C[N@H+]1CCCCC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029608013	1	52	0.0	-72.31	399.13	4.99	-67.32
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029608037	0	58	0.0	-72.48	431.60	6.70	-65.78
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029608037	1	58	0.0	-73.77	437.63	5.98	-67.79
O=C(C[NH+]1CCC(CO)CC1)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029608052	0	56	0.0	-76.10	433.72	2.56	-73.54
CC1C(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029608098	0	52	0.0	-78.30	396.09	4.69	-73.61
CC1C(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029608098	1	52	0.0	-78.23	396.33	4.64	-73.59
C[N@@H+]1CCCCC1CCC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029608100	0	58	0.0	-80.69	433.90	6.27	-74.42
C[N@H+]1CCCCC1CCC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029608100	1	58	0.0	-78.58	434.00	6.25	-72.33
NC1=[NH+]C2=C(C=C1C(=O)N1CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)CCC2	REAL300029608132	1	52	0.0	-69.04	413.53	4.21	-64.83
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029608196	0	55	0.0	-72.31	398.19	4.51	-67.80
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029608196	1	55	0.0	-71.58	421.01	5.09	-66.49
C[C@@H](C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029608215	0	48	0.0	-74.20	375.92	3.84	-70.36
C[NH+](C)CC1=CC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC=N1	REAL300029608229	1	54	0.0	-76.22	428.08	5.06	-71.16
C=CCC(C)(C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029608233	0	55	0.0	-68.42	404.15	4.87	-63.55
O=C(CC[NH+]1CCCC1)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029608258	0	52	0.0	-76.02	408.30	5.14	-70.88
C[N@H+](CCO)CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029608268	1	49	0.0	-76.48	387.56	0.90	-75.58
C[N@@H+](CCO)CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029608268	1	49	0.0	-76.30	387.84	0.94	-75.36
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3C[N@@H+]4CCN3CCC4)C2)C1	REAL300029608306	0	55	0.0	-87.27	402.36	2.96	-84.31
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3C[N@H+]4CCN3CCC4)C2)C1	REAL300029608306	1	55	0.0	-87.05	402.08	2.82	-84.23
CC(C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCSCC1	REAL300029608328	1	53	0.0	-75.21	417.82	5.31	-69.90
C[N@H+]1CC=C(CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029608368	0	53	0.0	-75.24	418.73	5.83	-69.41
C[N@@H+]1CC=C(CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029608368	1	53	0.0	-73.22	419.27	5.85	-67.37
C[S+](C)CCC(O)C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029608383	0	51	0.0	-80.70	420.02	2.82	-77.88
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029608402	0	53	0.0	-72.20	397.78	0.86	-71.34
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029608402	1	53	0.0	-79.49	398.21	1.23	-78.26
CN1CC[N@H+](C)CC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029608415	0	57	0.0	-74.78	432.99	3.39	-71.39
CN1CC[N@@H+](C)CC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029608415	1	57	0.0	-70.62	429.48	3.30	-67.32
CC(C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[N@@H+]1CCCC(O)C1	REAL300029608416	0	56	0.0	-74.00	428.74	2.29	-71.71
CC(C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[N@H+]1CCCC(O)C1	REAL300029608416	1	56	0.0	-73.89	426.27	2.49	-71.40
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029608443	0	52	0.0	-75.08	420.67	4.33	-70.75
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029608449	0	56	0.0	-75.70	427.40	3.99	-71.71
C[N@H+]1CCCC(O)(CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029608449	1	56	0.0	-76.31	417.31	3.79	-72.52
CC1C[NH+](CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029608454	1	49	0.0	-74.83	390.78	4.56	-70.27
CC[N@@H+]1CCCC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029608461	0	55	0.0	-73.33	413.32	5.72	-67.61
CC[N@H+]1CCCC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029608461	1	55	0.0	-74.92	420.72	5.53	-69.39
NC1=[NH+]C=CC=C1CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029608467	0	48	0.0	-72.06	394.20	3.34	-68.72
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3CCC[N@@H+]3C3CC3)C2)C1	REAL300029608480	0	53	0.0	-69.39	411.37	5.67	-63.72
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3CCC[N@H+]3C3CC3)C2)C1	REAL300029608480	1	53	0.0	-71.11	408.19	5.59	-65.52
O=C(C=CC[NH+]1CCCC1)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029608523	0	53	0.0	-80.08	419.11	5.73	-74.35
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3CC[NH+](C4CC4)CC3)C2)C1	REAL300029608546	0	56	0.0	-72.40	427.77	6.21	-66.19
CC[N@H+](C)CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029608593	0	48	0.0	-75.32	377.20	4.13	-71.19
O=C(CN1CC2C=CC1C2)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029608653	0	51	0.0	-71.07	398.31	5.32	-65.75
O=C(C[N@@H+]1CC2C=CC1C2)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029608653	1	51	0.0	-71.77	399.14	5.28	-66.49
O=C(C[N@H+]1CC2C=CC1C2)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029608653	1	51	0.0	-71.77	399.14	5.28	-66.49
CC1=CC=C(NCCC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)N=C1	REAL300029608675	0	54	0.0	-71.37	438.74	4.91	-66.46
CC1=CC=C(NCCC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)[NH+]=C1	REAL300029608675	1	54	0.0	-71.37	438.74	4.91	-66.46
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C34CCC[N@@H+]3CCCC4)C2)C1	REAL300029608781	0	56	0.0	-69.86	406.05	5.12	-64.74
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C34CCC[N@H+]3CCCC4)C2)C1	REAL300029608781	1	56	0.0	-69.86	406.05	5.12	-64.74
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C34CCC[N@@H+]3CC=CC4)C2)C1	REAL300029608790	0	54	0.0	-68.88	398.81	4.92	-63.96
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C34CCC[N@H+]3CC=CC4)C2)C1	REAL300029608790	1	54	0.0	-68.88	398.81	4.92	-63.96
CC(OCC[NH+](C)C)C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029608801	0	55	0.0	-75.97	430.87	4.97	-71.00
C[NH+](C)CCOCCC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029608811	0	55	0.0	-75.63	436.79	4.21	-71.42
COCCN(C)CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029608813	0	52	0.0	-76.07	410.09	3.34	-72.73
COCC[N@H+](C)CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029608813	1	52	0.0	-76.64	410.30	3.35	-73.29
COCC[N@@H+](C)CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029608813	1	52	0.0	-76.64	410.30	3.35	-73.29
CC(CCC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029608819	0	54	0.0	-79.23	413.60	5.13	-74.10
CC[N@H+](CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029608846	0	52	0.0	-72.92	401.31	5.28	-67.64
CC1C[N@@H+]2CCN1C(C(=O)N1CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029608862	0	55	0.0	-74.77	400.58	4.16	-70.61
CC1C[N@H+]2CCN1C(C(=O)N1CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029608862	1	55	0.0	-84.60	408.77	2.23	-82.37
C[N@@H+]1CC2CC1(C(=O)N1CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029608887	0	50	0.0	-79.41	385.61	4.78	-74.63
C[N@H+]1CC2CC1(C(=O)N1CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029608887	1	50	0.0	-78.99	387.14	4.71	-74.28
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029608897	1	52	0.0	-74.86	424.31	4.04	-70.82
O=C(C[N@@H+]1CC2CCC1C2)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029608904	0	53	0.0	-72.66	404.12	5.40	-67.26
O=C(C[N@H+]1CC2CCC1C2)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029608904	1	53	0.0	-71.66	404.38	5.41	-66.25
CC(C[NH+](C)C)C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029608926	0	51	0.0	-76.69	394.61	4.41	-72.28
C[NH+](C)C1(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029608943	0	49	0.0	-76.79	380.12	3.92	-72.87
C[C@H](C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029608969	0	48	0.0	-73.36	375.64	3.79	-69.57
CC[N@@H+]1CCC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029608978	0	49	0.0	-75.75	391.40	4.36	-71.39
CC[N@H+]1CCC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029608978	1	49	0.0	-74.11	391.58	4.50	-69.61
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029608991	0	58	0.0	-69.90	437.83	6.08	-63.82
CC(C)[N@H+]1CCCC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029608991	1	58	0.0	-71.88	430.27	6.35	-65.53
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029609006	0	57	0.0	-71.77	424.74	3.82	-67.95
C#CC[N@H+]1CCCCC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029609050	1	54	0.0	-71.14	424.35	6.08	-65.06
C#CC[N@@H+]1CCCCC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029609050	1	54	0.0	-71.29	424.70	6.16	-65.13
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029609051	1	51	0.0	-69.31	408.95	4.06	-65.25
NC1=CC=[NH+]C=C1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029609052	0	45	0.0	-76.48	367.58	1.44	-75.04
CCCC(C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029609061	0	54	0.0	-72.83	410.02	5.07	-67.76
C[NH+](C)C(C)(C)C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029609068	0	51	0.0	-77.08	377.26	4.19	-72.89
CC(CC[NH+](C)C)C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029609087	0	54	0.0	-77.45	419.75	5.13	-72.32
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)C2)C1	REAL300029609158	0	54	0.0	-76.44	413.48	5.94	-70.50
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C34CC(C3)C[N@H+]4C3CC3)C2)C1	REAL300029609158	1	54	0.0	-76.63	412.15	6.77	-69.86
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029609197	0	55	0.0	-72.98	420.90	5.50	-67.48
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029609197	1	55	0.0	-73.42	412.52	5.07	-68.35
C[NH+](C)CCCCCC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029609202	0	57	0.0	-77.13	446.82	6.34	-70.79
O=C(CC[NH+]1CCC(O)CC1)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029609206	0	56	0.0	-80.68	434.05	2.56	-78.12
CCC[N@@H+]1CCCCC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029609210	0	58	0.0	-70.83	439.18	6.39	-64.44
CCC[N@H+]1CCCCC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029609210	1	58	0.0	-73.27	431.74	6.05	-67.22
C[NH+]1CCN(CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029609220	1	54	0.0	-75.47	418.76	2.99	-72.48
CC1C[N@H+](C)CC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029609322	1	53	0.0	-88.35	406.88	4.40	-83.95
CC1C[N@@H+](C)CC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029609322	1	53	0.0	-86.81	413.38	4.41	-82.40
CCC1CCC[N@H+](CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029609355	0	58	0.0	-74.94	433.28	6.54	-68.40
CCC1CCC[N@@H+](CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029609355	1	58	0.0	-75.71	440.57	6.61	-69.10
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)N1	REAL300029609364	0	53	0.0	-87.11	420.74	5.00	-82.11
O=C(C[NH+]1CC2CC2C1)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029609379	0	50	0.0	-74.56	395.43	5.28	-69.28
O=C(CC1([NH+]2CCCC2)CC1)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029609392	0	56	0.0	-73.29	424.71	6.25	-67.04
C[N@@H+]1CCCCC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029609431	0	52	0.0	-75.89	392.41	4.75	-71.14
C[N@H+]1CCCCC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029609431	1	52	0.0	-72.31	399.13	4.99	-67.32
C[N@@H+]1CCC(=CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029609554	0	50	0.0	-80.27	398.15	5.02	-75.25
C[N@H+]1CCC(=CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029609554	1	50	0.0	-78.97	397.52	5.00	-73.97
O=C(CNC1=CC=[NH+]C=C1)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029609559	0	48	0.0	-75.21	395.68	2.66	-72.55
CC[NH+]1CCN(CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029609616	0	57	0.0	-74.31	436.50	3.67	-70.64
O=C(C=C1C[NH+]2CCC1CC2)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029609619	0	54	0.0	-71.50	415.72	5.79	-65.71
C[NH+](C)C1(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCCC1	REAL300029609657	0	55	0.0	-72.02	393.59	4.57	-67.45
C[N@H+](CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[C@@H]1CCC[C@H]1O	REAL300029609668	0	56	0.0	-70.96	430.56	2.92	-68.04
C[N@@H+](CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[C@@H]1CCC[C@H]1O	REAL300029609668	1	56	0.0	-72.66	429.54	2.73	-69.93
CCC1C[NH+](CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029609674	0	52	0.0	-76.85	412.56	5.32	-71.53
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3([NH+]4CCCC4)CCC3)C2)C1	REAL300029609678	0	56	0.0	-74.28	416.82	5.64	-68.64
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029609692	0	49	0.0	-72.39	380.78	4.23	-68.16
C[N@H+]1CCC[C@H]1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029609692	1	49	0.0	-73.76	378.12	3.93	-69.83
CC[N@@H+]1CCOCC1CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029609723	0	56	0.0	-78.17	423.23	3.82	-74.35
NC1=NC2=CC(C(=O)N3CCC(C4CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)=CC=C2N1	REAL300029609813	0	49	0.0	-81.32	397.93	4.14	-77.18
NC1=[NH+]C2=CC(C(=O)N3CCC(C4CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)=CC=C2N1	REAL300029609813	1	49	0.0	-81.32	397.93	4.14	-77.18
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029609851	0	52	0.0	-77.75	409.05	5.11	-72.64
C[NH+](C)C1CCC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029609866	0	58	0.0	-68.63	429.05	6.18	-62.45
C[NH+](C)CCC1(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029609867	0	55	0.0	-77.07	430.53	5.71	-71.36
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029609869	0	58	0.0	-71.86	427.50	5.95	-65.91
C[N@@H+]1CC=CCC1CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029609870	0	53	0.0	-68.97	405.72	5.39	-63.58
C[N@H+]1CC=CCC1CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029609870	1	53	0.0	-78.32	410.99	5.57	-72.75
CC1=CC(C=CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C[NH+]=C1N	REAL300029609920	1	52	0.0	-77.84	424.51	4.34	-73.50
C[NH+](C)CCOCC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029609933	0	52	0.0	-75.46	415.95	4.51	-70.95
CCCCC[N@H+](C)CCC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029609939	0	60	0.0	-78.29	464.55	6.93	-71.36
CCCCC[N@@H+](C)CCC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029609939	1	60	0.0	-78.30	464.46	7.04	-71.26
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029609951	0	56	0.0	-75.68	434.80	5.33	-70.35
[NH2+]=C1SC=CN1CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029609976	0	45	0.0	-72.02	386.53	3.65	-68.37
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029610050	0	55	0.0	-73.98	430.72	5.06	-68.92
O=C(CC[NH+]1CCCCCC1)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029610094	0	58	0.0	-77.87	433.99	6.04	-71.83
C[N@@H+]1CCCC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029610100	0	52	0.0	-69.11	392.86	4.89	-64.22
C[N@H+]1CCCC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029610100	1	52	0.0	-69.11	392.86	4.89	-64.22
O=C(C[NH+]1CCCCCC1)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029610104	0	55	0.0	-73.82	410.84	5.54	-68.28
CN1C=C[N+](CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300029610109	0	47	0.0	-72.50	391.19	6.90	-65.60
CN(C)CC1=CC=C(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029610127	0	52	0.0	-86.53	421.56	5.32	-81.21
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029610127	1	52	0.0	-86.53	421.56	5.32	-81.21
C[N@H+](CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029610152	0	49	0.0	-72.27	389.36	4.81	-67.46
CC(C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)N1CCN(C)CC1	REAL300029610154	0	57	0.0	-75.13	426.23	3.03	-72.10
CC(C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)N1CC[NH+](C)CC1	REAL300029610154	1	57	0.0	-75.13	426.23	3.03	-72.10
O=C(CC[N@H+]1CCC(F)C1)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029610157	0	52	0.0	-82.18	413.61	5.17	-77.01
COC1C[N@H+](C)C(C)(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029610168	0	56	0.0	-72.99	420.53	3.16	-69.83
CC(CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300029610188	0	54	0.0	-77.14	417.15	5.41	-71.73
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3CC[N@@H+]4CCOCC34)C2)C1	REAL300029610204	0	54	0.0	-72.45	410.16	3.62	-68.83
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3CC[N@H+]4CCOCC34)C2)C1	REAL300029610204	1	54	0.0	-72.45	410.16	3.62	-68.83
CN1CCOCC1CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029610226	0	53	0.0	-71.37	402.95	3.17	-68.20
C[N@@H+]1CCOCC1CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029610226	1	53	0.0	-71.31	402.59	3.07	-68.24
C[N@H+]1CCOCC1CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029610226	1	53	0.0	-71.31	402.59	3.07	-68.24
CC1=CC(N)=NC=C1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029610289	0	48	0.0	-76.45	388.93	2.72	-73.73
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029610289	1	48	0.0	-76.45	388.93	2.72	-73.73
CC1(O)CC[N@H+](CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029610333	0	53	0.0	-76.08	416.14	1.90	-74.18
C[NH+]1CC(CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029610368	0	49	0.0	-76.21	391.26	4.23	-71.98
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3CC[N@@H+]3C3CCCC3)C2)C1	REAL300029610373	0	56	0.0	-76.55	430.77	6.27	-70.28
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3CC[N@H+]3C3CCCC3)C2)C1	REAL300029610373	1	56	0.0	-76.55	430.77	6.27	-70.28
C[N@H+](CCO)CCC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029610410	0	52	0.0	-77.41	409.80	1.48	-75.93
C[N@@H+](CCO)CCC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029610410	1	52	0.0	-77.41	409.80	1.48	-75.93
C[N@@H+]1CCCCC1CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029610433	0	55	0.0	-68.17	411.49	5.46	-62.71
C[N@H+]1CCCCC1CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029610433	1	55	0.0	-68.17	411.49	5.46	-62.71
CC1=C2C=C(C(=O)N3CCC(C4CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C=CN2C=N1	REAL300029610455	0	50	0.0	-79.80	416.55	7.48	-72.32
CC1=C2C=C(C(=O)N3CCC(C4CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C=CN2C=[NH+]1	REAL300029610455	1	50	0.0	-79.80	416.55	7.48	-72.32
CC1CC[N@@H+]1CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029610460	0	49	0.0	-73.54	391.41	4.58	-68.96
C[NH+](C)CC=CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029610474	0	49	0.0	-79.60	395.30	4.59	-75.01
CC1(C)CN(CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029610487	0	52	0.0	-76.02	409.97	5.06	-70.96
CC1(C)C[NH+](CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029610487	1	52	0.0	-76.02	409.97	5.06	-70.96
CC1=C(C)NC(CCC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=N1	REAL300029610506	0	53	0.0	-70.55	430.20	4.70	-65.85
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)N1	REAL300029610506	1	53	0.0	-70.55	430.20	4.70	-65.85
CC1=C2C=C(C(=O)N3CCC(C4CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C=CN2C=N1	REAL300029610517	0	50	0.0	-79.80	416.55	7.48	-72.32
CC1=C2C=C(C(=O)N3CCC(C4CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C=CN2C=[NH+]1	REAL300029610517	1	50	0.0	-79.80	416.55	7.48	-72.32
C[NH+](C)CCSCC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029610527	0	52	0.0	-80.92	426.98	5.36	-75.56
O=C(C[N@H+]1CCCC1CO)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029610553	0	53	0.0	-74.74	409.71	1.48	-73.26
CC[NH+](CC)CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029610557	0	51	0.0	-72.93	396.02	4.74	-68.19
C[N@H+](CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCSC1	REAL300029610568	0	53	0.0	-80.25	418.67	5.74	-74.51
O=C(CN1CCC1)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029610570	0	46	0.0	-76.12	370.40	4.00	-72.12
O=C(C[NH+]1CCC1)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029610570	1	46	0.0	-76.12	370.40	4.00	-72.12
CC[NH+](CC)CCC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029610621	0	54	0.0	-75.57	417.91	5.33	-70.24
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3CC4COCC[N@@H+]4C3)C2)C1	REAL300029610713	0	54	0.0	-76.03	414.05	3.68	-72.35
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3CC4COCC[N@H+]4C3)C2)C1	REAL300029610713	1	54	0.0	-76.03	414.05	3.68	-72.35
CCC(CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300029610735	0	57	0.0	-70.52	435.20	6.03	-64.49
C[NH+](C)CC(C)(C)C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029610743	0	54	0.0	-71.16	396.78	4.50	-66.66
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029610807	0	52	0.0	-71.39	400.59	5.04	-66.35
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029610822	0	55	0.0	-82.48	408.81	2.14	-80.34
C[NH+](C)CC(O)CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029610843	0	52	0.0	-80.33	412.66	2.42	-77.91
C[NH+]1C2CCC1CC(C(=O)N1CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029610846	0	56	0.0	-74.00	393.75	5.21	-68.79
C=CCC(C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029610879	0	52	0.0	-71.69	398.83	4.82	-66.87
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3CC4CCCC[N@@H+]4C3)C2)C1	REAL300029610889	0	56	0.0	-75.34	423.91	6.03	-69.31
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3CC4CCCC[N@H+]4C3)C2)C1	REAL300029610889	1	56	0.0	-77.67	423.22	5.97	-71.70
C[NH+]1CCC(C)(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029610900	0	55	0.0	-73.95	406.45	4.88	-69.07
C[NH+]1CCC(O)(CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029610902	0	56	0.0	-77.09	430.25	3.83	-73.26
CC1=C2C=C(C(=O)N3CC(C4CCN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C=CN2C=[NH+]1	REAL300029610984	1	50	0.0	-77.37	407.00	7.03	-70.34
C[NH+](C)CCSCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029610993	0	52	0.0	-79.40	426.04	5.43	-73.97
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3CC4COCC[N@@H+]4C3)C2)C1	REAL300029611001	0	54	0.0	-73.04	414.71	3.73	-69.31
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3CC4COCC[N@H+]4C3)C2)C1	REAL300029611001	1	54	0.0	-79.09	414.65	3.69	-75.40
C[N@@H+]1CCCC1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029611147	0	45	0.0	-70.04	351.60	2.30	-67.74
C[N@H+]1CCCC1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029611147	1	45	0.0	-71.78	351.80	2.42	-69.36
C[N@@H+]1CCOC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029611171	1	46	0.0	-89.36	363.32	1.80	-87.56
C[N@H+]1CCOC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029611171	1	46	0.0	-82.30	357.02	1.63	-80.67
CC(C)C1=[NH+]C=CN1CCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029611373	1	52	0.0	-69.88	411.29	4.49	-65.39
CC(C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300029611381	0	54	0.0	-71.02	396.86	3.75	-67.27
CC(C)[N@@H+]1CCCCC1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029611384	0	54	0.0	-67.40	399.14	3.87	-63.53
CC(C)[N@H+]1CCCCC1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029611384	1	54	0.0	-69.28	399.95	3.86	-65.42
CC(C)[N@@H+]1CCCC1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029611420	0	51	0.0	-73.82	378.64	3.68	-70.14
CC(C)[N@H+]1CCCC1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029611420	1	51	0.0	-70.34	385.55	3.44	-66.90
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@@H+]2C1	REAL300029611450	0	52	0.0	-77.73	394.24	4.02	-73.71
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@H+]2C1	REAL300029611450	1	52	0.0	-80.59	394.23	4.02	-76.57
CC(C)C1=[NH+]C=CN1CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029611490	1	49	0.0	-70.23	392.56	4.04	-66.19
CC1=[NH+]C=CN1CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029611552	1	43	0.0	-71.69	356.17	2.92	-68.77
CC(C[NH+]1CCOCC1)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029611554	0	52	0.0	-77.80	398.05	2.06	-75.74
O=C(CCC[NH+]1CCCCC1)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029611577	0	54	0.0	-77.17	412.26	4.56	-72.61
CC(C)(C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300029611618	0	54	0.0	-75.82	396.26	4.33	-71.49
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@@H+](C2CCCCC2)C1	REAL300029611621	0	58	0.0	-75.87	432.24	5.24	-70.63
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@H+](C2CCCCC2)C1	REAL300029611621	1	58	0.0	-74.49	432.25	5.24	-69.25
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCC1CC2	REAL300029611639	0	49	0.0	-79.52	367.06	3.16	-76.36
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCCC2CCC[N@@H+]21	REAL300029611706	0	52	0.0	-67.74	391.24	4.18	-63.56
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCCC2CCC[N@H+]21	REAL300029611706	1	52	0.0	-67.10	391.56	4.19	-62.91
C[NH+](C)CCN1C=C(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C=N1	REAL300029611709	0	51	0.0	-83.88	410.20	2.85	-81.03
C[NH+](C)CCN1C=CC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=N1	REAL300029611726	0	51	0.0	-91.17	411.39	2.85	-88.32
C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029611734	0	48	0.0	-79.28	363.53	2.32	-76.96
C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029611734	1	48	0.0	-77.73	369.56	2.62	-75.11
CCC1=[NH+]C=CN1C(C)CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029611738	1	52	0.0	-70.60	411.84	4.55	-66.05
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029611741	0	51	0.0	-76.76	384.27	3.05	-73.71
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029611741	1	51	0.0	-73.46	386.97	3.58	-69.88
CC[N@@H+]1CCOC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029611771	1	49	0.0	-74.77	374.78	2.27	-72.50
CC[N@H+]1CCOC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029611771	1	49	0.0	-85.41	381.91	2.44	-82.97
CC[NH+](CC)CC(F)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029611847	0	50	0.0	-79.37	384.81	2.99	-76.38
C[NH+](C)CC1=C(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)SC=C1	REAL300029611848	0	48	0.0	-62.03	391.46	3.99	-58.04
CC1CCC(C)[NH+]1CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029611977	0	51	0.0	-72.88	373.40	3.00	-69.88
O=C(CCC[NH+]1CCCC1)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029611988	0	51	0.0	-76.95	396.59	3.85	-73.10
C[NH+](C)CC1=CC=CC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029611989	0	51	0.0	-78.84	404.85	4.82	-74.02
C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029611999	0	50	0.0	-82.22	396.02	4.15	-78.07
O=C(CC[NH+]1CCCCC1)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029612001	0	51	0.0	-75.92	389.88	3.76	-72.16
C[NH+](C)CC1=CC=CC=C1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029612005	0	51	0.0	-63.60	397.57	5.05	-58.55
CC[N@@H+]1CCCCC1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029612017	0	51	0.0	-68.93	386.52	3.59	-65.34
CC[N@H+]1CCCCC1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029612017	1	51	0.0	-70.98	386.56	3.57	-67.41
CC(C)C(C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300029612018	0	57	0.0	-69.35	414.72	4.76	-64.59
C[NH+](C)C(C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300029612022	1	51	0.0	-69.70	400.55	4.84	-64.86
CC(C)C[N@@H+]1CCC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029612049	0	54	0.0	-75.65	411.33	4.33	-71.32
CC(C)C[N@H+]1CCC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029612049	1	54	0.0	-76.31	411.48	4.30	-72.01
C[NH+](C)C1(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029612053	0	48	0.0	-50.66	350.65	3.86	-46.80
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@@H+]1C1CCOCC1	REAL300029612056	0	56	0.0	-75.08	418.55	2.90	-72.18
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@H+]1C1CCOCC1	REAL300029612056	1	56	0.0	-77.56	412.22	3.11	-74.45
C[NH+](C)C(CN1C=CC=N1)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029612058	1	51	0.0	-85.73	399.82	3.14	-82.59
CC(C)[N@@H+]1CCCC1CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029612065	0	54	0.0	-66.26	397.20	3.49	-62.77
CC(C)[N@H+]1CCCC1CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029612065	1	54	0.0	-74.25	404.65	4.01	-70.24
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@@H+]1C1CCCC1	REAL300029612066	0	55	0.0	-73.70	401.86	4.69	-69.01
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@H+]1C1CCCC1	REAL300029612066	1	55	0.0	-71.70	411.68	4.71	-66.99
CC(C)[C@@H](C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029612096	0	50	0.0	-69.79	371.75	3.44	-66.35
C[N@H+](CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029612169	0	48	0.0	-72.01	371.99	3.33	-68.68
C[N@@H+](CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029612169	1	48	0.0	-72.23	373.00	3.30	-68.93
CC(C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300029612274	0	54	0.0	-69.45	396.67	3.58	-65.87
CN(CCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=[NH+]C=C1	REAL300029612359	0	50	0.0	-72.27	400.35	2.99	-69.28
C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029612373	1	47	0.0	-70.67	372.54	3.14	-67.53
C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029612373	1	47	0.0	-72.27	379.58	3.66	-68.61
C[N@@H+]1CCCC1CCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029612385	0	51	0.0	-79.20	394.22	3.82	-75.38
C[N@H+]1CCCC1CCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029612385	1	51	0.0	-75.14	387.22	3.38	-71.76
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+](CCC1)C2	REAL300029612402	0	52	0.0	-75.71	383.31	3.55	-72.16
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC2CCCC[N@@H+]21	REAL300029612410	0	52	0.0	-69.75	394.62	4.27	-65.48
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC2CCCC[N@H+]21	REAL300029612410	1	52	0.0	-69.30	394.30	4.21	-65.09
CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029612422	0	55	0.0	-75.50	409.55	2.57	-72.93
CC[NH+](CC)CC1=CC=C(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029612439	0	54	0.0	-82.39	421.67	4.25	-78.14
O=C(CCCC[NH+]1CCCC1)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029612444	0	54	0.0	-77.26	417.20	4.65	-72.61
C[N@H+](CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029612447	1	51	0.0	-79.19	403.42	4.91	-74.28
C[N@@H+](CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029612447	1	51	0.0	-79.00	403.64	4.94	-74.06
C[NH+]1CCC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029612465	0	48	0.0	-81.76	370.48	3.01	-78.75
C[NH+](C)CC1=CC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=NO1	REAL300029612538	1	47	0.0	-82.74	383.97	2.35	-80.39
CC1=C(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300029612540	0	46	0.0	-76.67	378.19	5.10	-71.57
C[N@@H+]1CCCCC1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029612599	0	48	0.0	-69.61	368.81	2.95	-66.66
C[N@H+]1CCCCC1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029612599	1	48	0.0	-71.87	368.54	2.93	-68.94
CC(C)C[N@@H+]1CCCC1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029612636	0	54	0.0	-73.70	405.88	4.00	-69.70
CC(C)C[N@H+]1CCCC1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029612636	1	54	0.0	-73.65	400.98	4.64	-69.01
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CN2C=[NH+]C=C2C=C1	REAL300029612825	0	43	0.0	-76.35	356.06	4.84	-71.51
CC1=[NH+]C=CN1CCCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029612841	1	49	0.0	-74.37	397.73	4.22	-70.15
O=C(CCCC[NH+]1CCOCC1)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029612845	1	55	0.0	-80.51	424.13	2.93	-77.58
C[NH+](C)CC1=CC=C(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300029612851	0	51	0.0	-86.93	405.07	4.83	-82.10
O=C(CC[NH+]1CCOCC1)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029612852	1	49	0.0	-79.23	381.15	1.34	-77.89
C[NH+](C)C(C)(C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300029612874	0	54	0.0	-83.78	400.53	5.01	-78.77
CCC[NH+](CCC)CCCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029612882	0	59	0.0	-77.07	444.68	5.28	-71.79
CC[N@H+](C)C(C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300029612883	0	54	0.0	-72.11	420.17	5.46	-66.65
CC[N@@H+](C)C(C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300029612883	1	54	0.0	-72.62	419.22	5.47	-67.15
CC1=C[NH+]=CN1CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029612910	1	43	0.0	-73.28	356.52	3.65	-69.63
O=C(CN1C=[NH+]C2=C1CCCC2)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029612924	1	50	0.0	-72.57	398.34	5.39	-67.18
C[NH+](C)CC1(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL300029612972	0	57	0.0	-59.01	379.95	5.97	-53.04
C[NH+](C)CCC1=CC=CC=C1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029612973	0	54	0.0	-64.30	416.11	5.61	-58.69
C[N@H+](CCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300029612980	0	57	0.0	-77.55	424.28	4.93	-72.62
C[N@@H+](CCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300029612980	1	57	0.0	-77.81	424.29	4.94	-72.87
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+]1CCC2	REAL300029612986	0	49	0.0	-47.34	352.93	4.60	-42.74
C[NH+](C)C1CCCC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029613030	0	54	0.0	-76.25	405.53	4.17	-72.08
C[N@@H+]1CCC(CC(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029613037	0	48	0.0	-78.30	372.72	2.90	-75.40
C[N@H+]1CCC(CC(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029613037	1	48	0.0	-77.48	372.33	2.93	-74.55
CN(C)C1=CC=[NH+]C=C1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029613051	0	47	0.0	-84.36	376.63	2.15	-82.21
CCC(C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029613057	0	47	0.0	-69.94	356.29	2.42	-67.52
C[NH+](C)C1(CC(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029613082	0	54	0.0	-79.93	390.63	3.74	-76.19
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC2=C[NH+]=CN2C=C1	REAL300029613161	1	43	0.0	-83.24	357.14	4.85	-78.39
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300029613210	1	46	0.0	-88.57	386.40	2.79	-85.78
C[NH+](C)CCCCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029613246	0	50	0.0	-78.70	391.24	3.48	-75.22
CC(C)C(C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029613271	0	50	0.0	-50.89	369.06	4.52	-46.37
CCC[N@H+](C)CCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029613273	0	50	0.0	-77.44	387.47	3.30	-74.14
CCC[N@@H+](C)CCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029613273	1	50	0.0	-77.52	387.47	3.28	-74.24
CCC[N@H+](C)CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029613280	0	47	0.0	-74.48	366.16	2.75	-71.73
CCC[N@@H+](C)CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029613280	1	47	0.0	-74.20	365.12	2.76	-71.44
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C12CC[N@H+](C1)CCC2	REAL300029613313	0	49	0.0	-77.73	368.56	2.55	-75.18
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C12CC[N@@H+](C1)CCC2	REAL300029613313	1	49	0.0	-84.20	367.80	2.61	-81.59
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029613389	0	45	0.0	-75.34	347.03	1.87	-73.47
C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029613389	1	45	0.0	-71.43	350.89	2.42	-69.01
CC1CC2CCC(C(=O)NC[C@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)C[N@@H+]2C1	REAL300029613420	0	55	0.0	-73.24	414.01	4.72	-68.52
CC1CC2CCC(C(=O)NC[C@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)C[N@H+]2C1	REAL300029613420	1	55	0.0	-66.63	409.06	4.86	-61.77
CCCCCC[N@H+](C)CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029613480	0	56	0.0	-75.78	430.49	5.06	-70.72
CCCCCC[N@@H+](C)CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029613480	1	56	0.0	-75.41	429.62	5.11	-70.30
CC[NH+](CC)C(C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300029613492	0	56	0.0	-48.79	399.98	5.55	-43.24
CC[NH+](CC)CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029613505	0	47	0.0	-72.79	357.84	2.42	-70.37
CCC[N@@H+]1CCCC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029613538	0	54	0.0	-75.67	410.50	4.36	-71.31
CCC[N@H+]1CCCC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029613538	1	54	0.0	-67.33	404.26	4.55	-62.78
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCCC[N@@H+]1C1CCCC1	REAL300029613551	0	58	0.0	-69.39	422.77	5.15	-64.24
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCCC[N@H+]1C1CCCC1	REAL300029613551	1	58	0.0	-69.94	418.46	5.29	-64.65
CC(C)[N@@H+]1CCOC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029613564	0	52	0.0	-85.51	398.85	2.97	-82.54
CC(C)[N@H+]1CCOC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029613564	1	52	0.0	-82.60	398.84	2.96	-79.64
CC1CC[NH+](CC(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029613608	0	51	0.0	-74.67	388.46	3.82	-70.85
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300029613642	1	46	0.0	-82.36	385.19	2.80	-79.56
C[NH+]1CCC(OCC(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029613652	0	52	0.0	-84.00	406.71	3.41	-80.59
C[NH+](C)CC1(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029613672	0	48	0.0	-51.16	370.01	4.29	-46.87
CC1=[NH+]C=C2CCC(C(=O)NC[C@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)CN21	REAL300029613673	1	50	0.0	-70.83	394.35	4.08	-66.75
CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029613785	0	54	0.0	-78.33	405.69	4.18	-74.15
C[NH+]1CCC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029613817	0	48	0.0	-81.76	370.48	3.01	-78.75
CC(C)[C@H](C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029613840	0	50	0.0	-72.89	373.47	3.21	-69.68
CCC(C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300029613880	0	53	0.0	-67.30	391.39	3.75	-63.55
CC[N@H+](C)CCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029613984	0	47	0.0	-76.69	365.97	2.56	-74.13
CC[N@@H+](C)CCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029613984	1	47	0.0	-76.81	365.97	2.55	-74.26
CC1CCC[N@@H+]1CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029614073	0	48	0.0	-70.47	364.55	2.72	-67.75
CC1CCC[N@H+]1CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029614073	1	48	0.0	-71.80	371.85	3.11	-68.69
CC1CC[N@H+](CC(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029614076	0	48	0.0	-73.63	371.26	3.10	-70.53
CC1CC[N@@H+](CC(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029614076	1	48	0.0	-73.54	371.09	3.09	-70.45
CC(C)(C)[N@@H+]1CCC(F)(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029614077	0	54	0.0	-68.74	409.05	3.60	-65.14
CC(C)(C)[N@H+]1CCC(F)(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029614077	1	54	0.0	-65.90	409.14	3.65	-62.25
CC1=[NH+]C=C2CC(C(=O)NC[C@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)CCN21	REAL300029614079	1	50	0.0	-74.88	395.93	4.10	-70.78
C[NH+](C)CCC1=CC=C(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300029614081	0	54	0.0	-87.63	427.57	5.68	-81.95
CC1(C)CC[N@H+](CC(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029614083	0	51	0.0	-74.22	392.11	3.57	-70.65
CC1(C)CC[N@@H+](CC(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029614083	1	51	0.0	-73.20	390.87	3.58	-69.62
C[N@H+](CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029614084	0	53	0.0	-74.31	394.16	3.73	-70.58
C[N@@H+](CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029614084	1	53	0.0	-74.08	396.86	3.90	-70.18
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029614085	0	54	0.0	-77.67	425.03	5.79	-71.88
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029614085	1	54	0.0	-78.00	425.90	5.74	-72.26
CC[C@@H](C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029614097	0	47	0.0	-72.03	359.08	2.57	-69.46
CC(COCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCC1	REAL300029614105	0	55	0.0	-74.83	425.08	4.11	-70.72
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC[NH+](CC2CC2)CC1	REAL300029614222	0	55	0.0	-81.50	419.66	5.22	-76.28
C[N@@H+]1C[C@H](C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)[C@@H](C2=CC=CC=C2)C1	REAL300029614285	0	55	0.0	-86.68	429.47	5.60	-81.08
C[N@H+]1C[C@H](C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)[C@@H](C2=CC=CC=C2)C1	REAL300029614285	1	55	0.0	-80.06	429.52	5.71	-74.35
C[NH+]1CCC(O)(CC(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029614396	0	52	0.0	-78.08	396.23	1.59	-76.49
COCC[N@@H+]1CCCC1CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029614405	0	55	0.0	-76.17	415.96	2.66	-73.51
COCC[N@H+]1CCCC1CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029614405	1	55	0.0	-76.46	418.18	2.43	-74.03
O=C(C[NH+]1CCC(CO)CC1)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029614418	1	52	0.0	-75.53	399.71	0.54	-74.99
O=C(C[NH+]1CCCCCC1)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029614422	0	51	0.0	-73.56	376.85	3.38	-70.18
CN1C=C[N+](CC(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029614427	0	43	0.0	-71.57	357.12	4.86	-66.71
C[N@@H+]1CCCC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029614440	0	48	0.0	-68.53	365.07	3.17	-65.36
C[N@H+]1CCCC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029614440	1	48	0.0	-76.00	371.46	2.98	-73.02
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@@H+]1C1CC1	REAL300029614445	0	49	0.0	-70.15	384.21	3.85	-66.30
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@H+]1C1CC1	REAL300029614445	1	49	0.0	-69.40	378.36	3.72	-65.68
CC(C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300029614486	1	45	0.0	-73.35	355.98	2.34	-71.01
CCC(CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029614498	0	53	0.0	-78.95	398.49	3.80	-75.15
C[NH+](C)CC(C)(C)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029614507	0	50	0.0	-75.67	377.42	3.10	-72.57
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C12CC(C1)C[N@@H+]2C1CC1	REAL300029614531	0	50	0.0	-62.19	373.88	4.96	-57.23
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C12CC(C1)C[N@H+]2C1CC1	REAL300029614531	1	50	0.0	-52.84	374.44	4.94	-47.90
O=C(C[NH+]1CCC(O)CC1)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029614559	1	49	0.0	-79.21	379.12	-0.11	-79.32
C[N@H+](CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029614561	0	45	0.0	-71.12	355.15	2.75	-68.37
C[N@@H+](CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029614561	1	45	0.0	-71.89	356.18	2.72	-69.17
CC(C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300029614562	1	53	0.0	-74.40	397.65	1.15	-73.25
C[NH+]1CC(CC(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029614598	0	45	0.0	-75.76	357.16	2.16	-73.60
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@@H+]1C1CCCC1	REAL300029614602	0	52	0.0	-74.34	398.15	4.32	-70.02
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@H+]1C1CCCC1	REAL300029614602	1	52	0.0	-75.81	398.76	4.15	-71.66
CC(C)(C)[N@@H+]1CCC1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029614611	0	51	0.0	-71.62	388.64	3.07	-68.55
CC(C)(C)[N@H+]1CCC1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029614611	1	51	0.0	-71.10	387.14	3.07	-68.03
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300029614624	0	51	0.0	-71.74	401.86	1.86	-69.88
C[C@@H](C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029614628	0	44	0.0	-71.84	343.04	1.84	-70.00
CCC1CCC[N@H+](CC(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029614687	0	54	0.0	-74.95	407.76	4.45	-70.50
CCC1CCC[N@@H+](CC(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029614687	1	54	0.0	-74.71	407.73	4.42	-70.29
C[NH+](C)CC1=CC=C(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)N1	REAL300029614697	0	49	0.0	-87.80	392.72	2.55	-85.25
C[NH+]1C2CCC1CC(CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300029614714	0	55	0.0	-79.28	391.58	3.73	-75.55
C[NH+](C)C(CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300029614721	0	54	0.0	-81.46	416.52	5.40	-76.06
[NH2+]=C1SC=CN1CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029614769	0	41	0.0	-71.37	353.83	1.49	-69.88
C[N@H+](CCO)CCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029614782	0	48	0.0	-77.31	377.21	-0.68	-77.99
C[N@@H+](CCO)CCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029614782	1	48	0.0	-75.79	376.17	-0.64	-76.43
C[C@@H](C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029614783	0	44	0.0	-71.84	343.04	1.84	-70.00
C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029614788	0	48	0.0	-72.96	358.39	2.79	-70.17
C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029614788	1	48	0.0	-72.01	367.86	2.95	-69.06
CC1CN2CC[N@@H+]1CC2C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029614799	0	51	0.0	-83.95	377.34	0.21	-83.74
CC1CN2CC[N@H+]1CC2C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029614799	1	51	0.0	-81.04	377.96	0.24	-80.80
COC1C[N@@H+]2CCCC2(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029614853	0	53	0.0	-81.85	404.46	2.41	-79.44
COC1C[N@H+]2CCCC2(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029614853	1	53	0.0	-48.05	391.52	3.58	-44.47
O=C(CC1=CC2=C[NH+]=CN2C=C1)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029614871	0	46	0.0	-74.43	381.17	5.50	-68.93
C[N@H+](CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029614908	0	49	0.0	-79.49	386.11	3.56	-75.93
C[N@@H+](CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029614908	1	49	0.0	-77.99	385.17	3.59	-74.40
O=C(C[NH+]1CCC1)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029614909	1	42	0.0	-74.79	335.99	1.77	-73.02
C[NH+](C)CC1=CC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=CC=N1	REAL300029614953	1	50	0.0	-76.06	400.03	3.38	-72.68
C[N@@H+]1CCC(=CC(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029614955	0	46	0.0	-79.89	364.65	2.89	-77.00
C[N@H+]1CCC(=CC(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029614955	1	46	0.0	-79.97	365.64	2.85	-77.12
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1C[NH+](C2CCCCC2)C1	REAL300029614986	0	55	0.0	-79.47	419.17	4.71	-74.76
C[NH+](C)CCOCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029615007	0	48	0.0	-76.34	382.54	2.41	-73.93
CCCCC[N@H+](C)CCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029615015	0	56	0.0	-78.39	430.46	4.86	-73.53
CCCCC[N@@H+](C)CCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029615015	1	56	0.0	-78.47	430.46	4.85	-73.62
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029615027	0	52	0.0	-77.52	405.61	3.25	-74.27
C=CCC(C)(C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029615039	0	51	0.0	-82.04	378.93	3.52	-78.52
C[S+](C)CCC(O)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029615044	0	47	0.0	-79.26	391.77	0.93	-78.33
C[N@@H+]1CC(O)CC1(C)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029615087	0	49	0.0	-78.15	374.66	-0.56	-78.71
CN1CC[N@H+](C)CC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029615102	0	53	0.0	-73.65	398.04	1.08	-72.57
CN1CC[N@@H+](C)CC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029615102	1	53	0.0	-73.65	398.04	1.08	-72.57
CC(C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300029615103	0	52	0.0	-74.26	396.79	0.29	-73.97
O=C(CN1CCC(CO)CC1)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029615121	0	52	0.0	-75.53	399.71	0.54	-74.99
O=C(C[NH+]1CCC(CO)CC1)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029615121	1	52	0.0	-75.53	399.71	0.54	-74.99
C[N@@H+]1CCCC(O)(CC(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029615132	0	52	0.0	-70.76	396.82	1.62	-69.14
C[N@H+]1CCCC(O)(CC(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029615132	1	52	0.0	-70.76	396.82	1.62	-69.14
CC1CN(CC(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029615136	0	45	0.0	-74.89	355.95	2.49	-72.40
CC1C[NH+](CC(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029615136	1	45	0.0	-74.89	355.95	2.49	-72.40
CN(CCO)CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029615168	0	45	0.0	-74.62	353.98	-1.22	-75.84
C[N@H+](CCO)CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029615168	1	45	0.0	-75.36	354.82	-1.21	-76.57
C[N@@H+](CCO)CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029615168	1	45	0.0	-75.36	354.82	-1.21	-76.57
C[NH+]1C2CCC1CC(=CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300029615201	0	53	0.0	-74.85	400.04	4.32	-70.53
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1C[N@@H+]2CCN1CCC2	REAL300029615206	0	51	0.0	-88.86	372.54	1.12	-87.74
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1C[N@H+]2CCN1CCC2	REAL300029615206	1	51	0.0	-88.86	372.54	1.12	-87.74
CC[N@@H+]1CCCC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029615217	0	51	0.0	-74.46	389.02	3.63	-70.83
CC[N@H+]1CCCC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029615217	1	51	0.0	-74.46	389.02	3.63	-70.83
CC(CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029615219	0	50	0.0	-77.47	383.07	3.35	-74.12
CC[N@H+](C)CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029615237	0	44	0.0	-73.92	343.62	2.02	-71.90
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C12CCC[N@@H+]1CCCC2	REAL300029615269	0	52	0.0	-53.60	369.06	4.86	-48.74
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C12CCC[N@H+]1CCCC2	REAL300029615269	1	52	0.0	-53.60	369.06	4.86	-48.74
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C12CCC[N@@H+]1CC=CC2	REAL300029615279	0	50	0.0	-55.41	364.68	4.71	-50.70
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C12CCC[N@H+]1CC=CC2	REAL300029615279	1	50	0.0	-55.41	364.68	4.71	-50.70
CC[N@H+](CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029615312	0	48	0.0	-71.70	372.51	3.35	-68.35
CC[NH+](CC)CCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029615337	0	50	0.0	-75.74	383.46	3.24	-72.50
O=C(CCCC[NH+]1CCCCC1)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029615384	0	57	0.0	-77.87	433.76	5.33	-72.54
CC1(O)CC[N@H+](CC(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029615422	0	49	0.0	-73.04	381.85	-0.24	-73.28
C[NH+](C)CC=CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029615435	0	45	0.0	-79.72	361.86	2.56	-77.16
CC(OCC[NH+](C)C)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029615466	0	51	0.0	-76.98	401.56	3.12	-73.86
C[NH+](C)CCOCCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029615479	0	51	0.0	-75.75	402.59	2.16	-73.59
COCCN(C)CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029615480	0	48	0.0	-75.25	377.07	1.19	-74.06
COCC[N@H+](C)CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029615480	1	48	0.0	-74.85	376.23	1.18	-73.67
COCC[N@@H+](C)CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029615480	1	48	0.0	-74.85	376.23	1.18	-73.67
COCCCC[N@H+](C)CCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029615518	0	57	0.0	-81.39	442.64	3.14	-78.25
COCCCC[N@@H+](C)CCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029615518	1	57	0.0	-81.39	442.64	3.14	-78.25
C[NH+](C)C1(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029615546	0	51	0.0	-49.88	362.79	4.35	-45.53
CC(CCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029615549	0	50	0.0	-79.81	380.49	3.05	-76.76
CCN1CCC1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029615560	0	45	0.0	-73.95	357.55	2.32	-71.63
CC[N@@H+]1CCC1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029615560	1	45	0.0	-72.21	350.26	2.04	-70.17
CC[N@H+]1CCC1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029615560	1	45	0.0	-72.21	350.26	2.04	-70.17
CC(C)[N@@H+]1CCCC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029615576	0	54	0.0	-73.62	405.61	4.14	-69.48
CC(C)[N@H+]1CCCC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029615576	1	54	0.0	-73.62	405.61	4.14	-69.48
CN1C=CN=C1N1CCC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029615577	0	52	0.0	-72.28	407.04	3.94	-68.34
CN1C=C[NH+]=C1N1CCC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029615577	1	52	0.0	-72.28	407.04	3.94	-68.34
CC(C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[N@H+](C)CC1=CC=CC=C1	REAL300029615584	0	54	0.0	-73.82	419.99	5.38	-68.44
O=C(C[N@H+]1CCCC1CO)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029615593	0	49	0.0	-71.32	371.70	-0.09	-71.41
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@@H+]2C1	REAL300029615626	0	52	0.0	-80.59	394.23	4.02	-76.57
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@H+]2C1	REAL300029615626	1	52	0.0	-80.59	394.23	4.02	-76.57
C[NH+]1CCC(C)(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029615637	0	51	0.0	-76.77	383.20	3.44	-73.33
CC(C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)N1CCC(O)CC1	REAL300029615666	0	52	0.0	-76.67	396.92	0.33	-76.34
CC(C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300029615666	1	52	0.0	-76.67	396.92	0.33	-76.34
C#CC1(O)CCN(C(C)C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029615675	0	54	0.0	-73.56	419.62	1.22	-72.34
C#CC1(O)CC[NH+](C(C)C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029615675	1	54	0.0	-73.56	419.62	1.22	-72.34
C=CCC(C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029615687	0	48	0.0	-75.54	374.36	2.99	-72.55
C[NH+](C)C12CCC(C(=O)NC[C@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)(CC1)CC2	REAL300029615700	0	58	0.0	-83.65	415.52	4.57	-79.08
C[N@@H+]1CC(C)(C)CC1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029615708	0	51	0.0	-72.30	392.46	3.55	-68.75
C[NH+](C)CCCCCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029615713	0	53	0.0	-78.65	413.63	4.24	-74.41
CC1C[N@@H+](C2CCC2C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029615746	0	56	0.0	-69.57	415.59	3.48	-66.09
CC1C[N@@H+]2CCN1C(C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300029615774	0	51	0.0	-85.45	378.90	0.31	-85.14
CCCC(C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029615776	0	50	0.0	-75.12	380.67	3.27	-71.85
C[NH+](C)C(C)(C)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029615782	0	47	0.0	-54.50	342.69	3.66	-50.84
CC[NH+](CC)CCSCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029615831	0	54	0.0	-79.63	428.13	4.66	-74.97
C[N@@H+]1CCCCC1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029615843	0	48	0.0	-71.87	368.54	2.93	-68.94
C[N@H+]1CC=C(CC(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029615905	0	49	0.0	-73.89	385.03	3.68	-70.21
C[N@@H+]1CC=C(CC(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029615905	1	49	0.0	-71.73	385.03	3.68	-68.05
O=C(CC1([NH+]2CCCC2)CC1)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029615918	0	52	0.0	-72.57	390.92	4.06	-68.51
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1(C[NH+]2CCCC2)CCCC1	REAL300029615945	0	58	0.0	-59.62	414.75	6.26	-53.36
C[N@@H+]1CCCC(C(C)(C)C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029615985	0	57	0.0	-79.69	409.06	4.02	-75.67
C[N@H+]1CCCC(C(C)(C)C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029615985	1	57	0.0	-79.69	409.06	4.02	-75.67
CN(C)CC1=CC=C(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029615990	0	48	0.0	-84.37	389.40	3.05	-81.32
C[NH+](C)CC1=CC=C(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029615990	1	48	0.0	-84.37	389.40	3.05	-81.32
O=C(C=CC[NH+]1CCCC1)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029616017	0	49	0.0	-78.45	386.80	3.69	-74.76
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC[NH+](C2CC2)CC1	REAL300029616049	0	52	0.0	-77.89	394.19	4.11	-73.78
C[N@@H+]1CC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C(C(F)(F)F)C1	REAL300029616074	0	48	0.0	-85.66	382.11	3.39	-82.27
C[N@H+]1CC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C(C(F)(F)F)C1	REAL300029616074	1	48	0.0	-85.66	382.11	3.39	-82.27
O=C(CC[NH+]1CCCC1)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029616080	0	48	0.0	-76.37	375.25	3.08	-73.29
CN1CC(N2CC(C(=O)NC[C@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2=O)C1	REAL300029616091	0	53	0.0	-74.22	414.37	2.14	-72.08
C[NH+]1CC(N2CC(C(=O)NC[C@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2=O)C1	REAL300029616091	1	53	0.0	-74.22	414.37	2.14	-72.08
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCN1CC2	REAL300029616142	0	48	0.0	-85.03	362.32	-0.23	-85.26
C[N@@H+]1CC2CC1(C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300029616153	0	46	0.0	-50.23	340.79	3.77	-46.46
CC1=C(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C=NN1CC[NH+](C)C	REAL300029616169	0	54	0.0	-84.37	426.05	3.34	-81.03
O=C(C[N@@H+]1CC2CCC1C2)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029616172	0	49	0.0	-72.46	373.38	3.46	-69.00
O=C(C[N@H+]1CC2CCC1C2)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029616172	1	49	0.0	-72.46	373.38	3.46	-69.00
CC(C)[NH+]1CCC(CC(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029616189	0	57	0.0	-71.86	424.28	4.87	-66.99
O=C(C=C1C[NH+]2CCC1CC2)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029616244	0	50	0.0	-69.89	382.04	3.74	-66.15
O=C(CN1CC2C=CC1C2)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029616257	0	47	0.0	-70.84	366.08	3.21	-67.63
O=C(C[N@@H+]1CC2C=CC1C2)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029616257	1	47	0.0	-72.82	365.99	3.29	-69.53
O=C(C[N@H+]1CC2C=CC1C2)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029616257	1	47	0.0	-72.82	365.99	3.29	-69.53
C[NH+](C)CC(C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300029616300	0	54	0.0	-82.31	421.93	5.44	-76.87
CC(C[NH+](C)C)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029616334	0	47	0.0	-76.92	365.03	2.60	-74.32
C[N@@H+]1CCCCC1CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029616446	0	51	0.0	-78.58	385.93	3.55	-75.03
C[N@H+]1CCCCC1CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029616446	1	51	0.0	-78.58	385.93	3.55	-75.03
CC1=C2C=C(C(=O)NC[C@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=N1	REAL300029616469	0	46	0.0	-80.29	378.24	5.42	-74.87
CC1=C2C=C(C(=O)NC[C@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029616469	1	46	0.0	-80.29	378.24	5.42	-74.87
CC(C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)N1CC(C)C1	REAL300029616470	0	48	0.0	-71.69	374.50	2.97	-68.72
CC(C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300029616470	1	48	0.0	-71.69	374.50	2.97	-68.72
CC1CCN1CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029616474	0	45	0.0	-72.34	353.13	2.19	-70.15
CC1CC[N@@H+]1CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029616474	1	45	0.0	-71.87	351.63	2.14	-69.73
CC1CC[N@H+]1CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029616474	1	45	0.0	-71.87	351.63	2.14	-69.73
C[NH+](C)CC(O)CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029616479	0	48	0.0	-82.02	379.47	0.32	-81.70
CC1CN(C)CC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029616520	0	49	0.0	-87.48	385.44	2.54	-84.94
CC1C[N@H+](C)CC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029616520	1	49	0.0	-75.29	378.26	2.34	-72.95
CC1C[N@@H+](C)CC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029616520	1	49	0.0	-75.29	378.26	2.34	-72.95
O=C(CC[NH+]1CCC(O)CC1)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029616534	0	52	0.0	-80.06	401.85	0.39	-79.67
CCC[N@@H+]1CCCCC1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029616537	0	54	0.0	-70.92	397.92	4.19	-66.73
CCC[N@H+]1CCCCC1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029616537	1	54	0.0	-70.92	397.92	4.19	-66.73
CC[NH+]1CCN(CCC(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029616541	0	56	0.0	-77.23	424.48	1.99	-75.24
CCN1CC[NH+](CCC(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029616541	1	56	0.0	-77.23	424.48	1.99	-75.24
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300029616544	0	55	0.0	-68.83	401.45	4.80	-64.03
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300029616544	1	55	0.0	-68.83	401.45	4.80	-64.03
CC(C)C[NH+]1CCC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029616598	0	57	0.0	-81.31	427.78	5.09	-76.22
C[NH+](C)C1CCN(CC(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029616631	0	56	0.0	-75.68	420.09	2.02	-73.66
C[NH+](C)[C@H]1C[C@H](C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029616656	0	48	0.0	-78.15	376.42	3.10	-75.05
CC(CC[NH+](C)C)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029616666	0	50	0.0	-77.81	386.75	3.22	-74.59
C[N@H+](CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029616704	0	52	0.0	-72.28	397.68	0.74	-71.54
C#CCN1CCCCC1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029616714	0	50	0.0	-71.13	383.85	4.00	-67.13
C#CC[N@H+]1CCCCC1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029616714	1	50	0.0	-70.12	393.96	4.16	-65.96
C#CC[N@@H+]1CCCCC1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029616714	1	50	0.0	-70.12	393.96	4.16	-65.96
CN1CCN(CC(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029616722	0	50	0.0	-74.92	384.93	0.84	-74.08
C[NH+]1CCN(CC(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029616722	1	50	0.0	-74.92	384.93	0.84	-74.08
NC(=[NH2+])SCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029616768	0	39	0.0	-77.52	333.81	-1.70	-79.22
CC[N@H+]1CCOCC1CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029616822	1	52	0.0	-79.29	393.71	1.86	-77.43
C[NH+](C)CCC1(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029616844	0	57	0.0	-69.59	422.81	5.05	-64.54
CC1CCCC(C)[NH+]1CCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029616846	0	57	0.0	-73.82	416.97	4.38	-69.44
C[NH+](C)C1CCC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029616849	0	54	0.0	-74.30	399.09	4.00	-70.30
C[NH+](C)CCC1(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029616850	0	51	0.0	-62.61	392.44	4.95	-57.66
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029616854	0	54	0.0	-68.34	399.18	4.06	-64.28
C[N@@H+]1CC=CCC1CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029616855	0	49	0.0	-80.46	376.92	3.45	-77.01
C[N@H+]1CC=CCC1CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029616855	1	49	0.0	-78.70	378.22	3.38	-75.32
C[C@@H](OCC[NH+](C)C)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029616892	0	51	0.0	-74.23	401.46	3.11	-71.12
C[NH+]1C2CCC1CC(C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300029616936	0	52	0.0	-78.67	386.97	3.59	-75.08
C[NH+]1CCC(O)(C2(C(=O)NC[C@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029617064	0	56	0.0	-69.63	417.48	2.25	-67.38
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1(CC[NH+]2CCCCC2)CC1	REAL300029617093	0	58	0.0	-55.68	437.41	6.80	-48.88
CC(C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)N1CCSCC1	REAL300029617119	0	49	0.0	-74.30	381.16	3.20	-71.10
CC(C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300029617119	1	49	0.0	-74.30	381.16	3.20	-71.10
CCC1CN(CC(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029617122	0	48	0.0	-75.37	378.55	3.20	-72.17
CCC1C[NH+](CC(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029617122	1	48	0.0	-75.37	378.55	3.20	-72.17
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1C[NH+](C2CCOCC2)C1	REAL300029617124	0	53	0.0	-81.58	409.42	2.35	-79.23
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1([NH+]2CCCC2)CCC1	REAL300029617126	0	52	0.0	-50.63	375.44	5.21	-45.42
C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029617138	0	45	0.0	-72.70	347.07	1.89	-70.81
O=C(CC[N@H+]1CCC(F)C1)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029617148	0	48	0.0	-82.14	381.06	3.14	-79.00
COC1C[N@H+](C)C(C)(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029617159	0	52	0.0	-80.27	398.07	1.82	-78.45
O=C(CC[NH+]1CCCCCC1)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029617173	0	54	0.0	-78.32	400.78	3.94	-74.38
CC1C(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029617187	0	48	0.0	-75.43	368.11	2.56	-72.87
CC1C(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029617187	1	48	0.0	-75.43	368.11	2.56	-72.87
C[N@@H+]1CCCCC1CCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029617190	0	54	0.0	-79.29	400.73	4.04	-75.25
C[N@H+]1CCCCC1CCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029617190	1	54	0.0	-79.29	400.73	4.04	-75.25
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@@H+]2CCOCC12	REAL300029617235	0	50	0.0	-80.77	386.32	1.64	-79.13
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@H+]2CCOCC12	REAL300029617235	1	50	0.0	-80.77	386.32	1.64	-79.13
CN1CCOCC1CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029617267	0	49	0.0	-82.71	376.48	1.19	-81.52
C[N@@H+]1CCOCC1CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029617267	1	49	0.0	-71.59	369.01	1.02	-70.57
C[N@H+]1CCOCC1CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029617267	1	49	0.0	-71.59	369.01	1.02	-70.57
CC1=C(C)NC(CCC(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=N1	REAL300029617281	0	49	0.0	-70.76	396.11	2.62	-68.14
CC1=C(C)[NH+]=C(CCC(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)N1	REAL300029617281	1	49	0.0	-70.76	396.11	2.62	-68.14
C[NH+](C)CCC1=CC=CC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029617294	0	54	0.0	-80.00	427.35	5.66	-74.34
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCN1CC1=CC=CC=C1	REAL300029617299	0	52	0.0	-72.62	410.13	5.06	-67.56
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300029617299	1	52	0.0	-72.06	410.84	5.10	-66.96
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@H+]1CC1=CC=CC=C1	REAL300029617299	1	52	0.0	-72.06	410.84	5.10	-66.96
CC(C)C[N@@H+]1CCCC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029617303	0	57	0.0	-67.99	421.63	5.25	-62.74
CC(C)C[N@H+]1CCCC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029617303	1	57	0.0	-67.99	421.63	5.25	-62.74
C[N@@H+]1CCCC1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029617462	0	45	0.0	-68.00	352.13	2.31	-65.69
C[N@H+]1CCCC1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029617462	1	45	0.0	-68.00	352.13	2.31	-65.69
CC1=NC=CN1CCCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029617657	0	49	0.0	-69.73	400.03	4.41	-65.32
CC1=[NH+]C=CN1CCCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029617657	1	49	0.0	-69.73	400.03	4.41	-65.32
O=C(CCCCN1CCOCC1)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029617661	0	55	0.0	-76.50	427.34	3.08	-73.42
O=C(CCCC[NH+]1CCOCC1)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029617661	1	55	0.0	-76.50	427.34	3.08	-73.42
C[NH+](C)CC1=CC=C(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300029617665	0	51	0.0	-82.70	398.14	5.36	-77.34
O=C(CCN1CCOCC1)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029617666	0	49	0.0	-74.94	384.80	1.51	-73.43
O=C(CC[NH+]1CCOCC1)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029617666	1	49	0.0	-74.94	384.80	1.51	-73.43
CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029617688	0	59	0.0	-72.68	451.30	5.73	-66.95
O=C(NC[C@H]1CCCN1C(=O)C1=CC2=CN=CN2C=C1)C1=CC(=O)[N-]O1	REAL300029617720	0	43	0.0	-75.69	350.89	5.20	-70.49
O=C(NC[C@H]1CCCN1C(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC(=O)[N-]O1	REAL300029617720	1	43	0.0	-75.69	350.89	5.20	-70.49
C[NH+](C)C1CCCC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029617799	0	54	0.0	-54.54	393.94	4.73	-49.81
C[N@@H+]1CCC(CC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029617806	0	48	0.0	-73.68	375.74	3.09	-70.59
C[N@H+]1CCC(CC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029617806	1	48	0.0	-73.68	375.74	3.09	-70.59
CCC(C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029617823	0	47	0.0	-67.32	356.08	2.37	-64.95
O=C(NC[C@H]1CCCN1C(=O)C1=NN(C2=CC=NC=C2)C=C1)C1=CC(=O)[N-]O1	REAL300029617833	0	46	0.0	-84.48	386.52	3.12	-81.36
O=C(NC[C@H]1CCCN1C(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1)C1=CC(=O)[N-]O1	REAL300029617833	1	46	0.0	-84.48	386.52	3.12	-81.36
CC1CC2CCC(C(=O)N3CCC[C@@H]3CNC(=O)C3=CC(=O)[N-]O3)C[N@@H+]2C1	REAL300029617883	0	55	0.0	-55.71	405.48	5.64	-50.07
CC1CC2CCC(C(=O)N3CCC[C@@H]3CNC(=O)C3=CC(=O)[N-]O3)C[N@H+]2C1	REAL300029617883	1	55	0.0	-62.34	410.28	5.34	-57.00
C[NH+](C)CCCCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029617917	0	50	0.0	-74.72	394.47	3.63	-71.09
CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029617940	0	50	0.0	-73.24	391.12	3.44	-69.80
CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029617940	1	50	0.0	-73.28	391.12	3.45	-69.83
CCC[N@H+](C)CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029617945	0	47	0.0	-70.66	368.34	2.88	-67.78
CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029617945	1	47	0.0	-70.24	368.62	2.84	-67.40
O=C(NC[C@H]1CCCN1C(=O)C12CC[N@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300029617970	0	49	0.0	-75.11	357.57	2.98	-72.13
O=C(NC[C@H]1CCCN1C(=O)C12CC[N@@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300029617970	1	49	0.0	-67.53	359.36	3.05	-64.48
CCCCCC[N@H+](C)CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029618014	0	56	0.0	-71.88	432.84	5.23	-66.65
CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029618014	1	56	0.0	-71.48	433.11	5.18	-66.30
CC1CC[NH+](CC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029618067	0	51	0.0	-70.75	392.85	3.94	-66.81
O=C(NC[C@H]1CCCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C1=CC(=O)[N-]O1	REAL300029618095	1	46	0.0	-73.31	379.06	3.25	-70.06
C[NH+]1CCC(OCC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029618103	0	52	0.0	-78.92	409.49	3.58	-75.34
O=C(NC[C@H]1CCCN1C(=O)C1CC2CCCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300029618165	0	52	0.0	-68.22	393.90	4.07	-64.15
O=C(NC[C@H]1CCCN1C(=O)C1CC2CCCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300029618165	1	52	0.0	-68.62	392.22	4.05	-64.57
C[NH+](C)CC1(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029618184	0	48	0.0	-66.21	373.01	3.87	-62.34
CC1=[NH+]C=C2CCC(C(=O)N3CCC[C@@H]3CNC(=O)C3=CC(=O)[N-]O3)CN21	REAL300029618185	1	50	0.0	-60.66	389.84	4.76	-55.90
CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029618196	0	54	0.0	-68.83	397.57	4.61	-64.22
CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029618231	0	47	0.0	-73.07	369.21	2.70	-70.37
CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029618231	1	47	0.0	-73.07	369.21	2.74	-70.33
O=C(NC[C@H]1CCCN1C(=O)C1CC[N@@H+](C2CCCCC2)C1)C1=CC(=O)[N-]O1	REAL300029618270	0	58	0.0	-73.13	433.29	5.26	-67.87
O=C(NC[C@H]1CCCN1C(=O)C1CC[N@H+](C2CCCCC2)C1)C1=CC(=O)[N-]O1	REAL300029618270	1	58	0.0	-73.51	430.41	5.21	-68.30
O=C(NC[C@H]1CCCN1C(=O)C1C[NH+]2CCC1CC2)C1=CC(=O)[N-]O1	REAL300029618287	0	49	0.0	-80.06	366.19	3.04	-77.02
C[NH+]1CCC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029618378	0	48	0.0	-73.11	367.91	3.74	-69.37
O=C(NC[C@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1)C1=CC(=O)[N-]O1	REAL300029618477	0	55	0.0	-77.54	418.17	5.04	-72.50
CC[NH+](CC)CC(F)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029618525	0	50	0.0	-70.72	386.89	3.16	-67.56
CC(C)C[N@@H+]1CCC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029618561	0	54	0.0	-72.42	412.15	4.28	-68.14
CC(C)C[N@H+]1CCC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029618561	1	54	0.0	-71.99	410.17	4.23	-67.76
CCC(C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300029618594	0	53	0.0	-60.80	387.83	4.48	-56.32
CC1CCC[N@@H+]1CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029618620	0	48	0.0	-67.97	374.28	3.22	-64.75
CC1CCC[N@H+]1CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029618620	1	48	0.0	-67.80	374.04	3.15	-64.65
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029618718	1	52	0.0	-66.31	414.57	4.65	-61.66
CC(C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300029618722	0	54	0.0	-61.51	393.32	4.63	-56.88
CC(C)[N@@H+]1CCCC1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029618756	0	51	0.0	-68.84	379.50	3.58	-65.26
CC(C)[N@H+]1CCCC1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029618756	1	51	0.0	-66.50	384.85	3.37	-63.13
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029618769	0	54	0.0	-64.49	397.01	4.58	-59.91
CC(C)[N@H+]1CCCC1CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029618769	1	54	0.0	-64.24	398.34	3.58	-60.66
CC1CC[N@H+](CC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029618826	0	48	0.0	-69.25	375.34	3.12	-66.13
CC1CC[N@@H+](CC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029618826	1	48	0.0	-69.13	374.88	3.14	-65.99
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029618827	0	54	0.0	-65.51	408.08	3.67	-61.84
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029618827	1	54	0.0	-68.48	407.10	3.62	-64.86
CC1=[NH+]C=C2CC(C(=O)N3CCC[C@@H]3CNC(=O)C3=CC(=O)[N-]O3)CCN21	REAL300029618828	1	50	0.0	-67.37	391.73	4.80	-62.57
C[NH+](C)CCC1=CC=C(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300029618830	0	54	0.0	-83.56	421.16	6.05	-77.51
CC1(C)CC[N@H+](CC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029618832	0	51	0.0	-70.16	394.33	3.69	-66.47
CC1(C)CC[N@@H+](CC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029618832	1	51	0.0	-69.14	394.40	3.71	-65.43
C[N@H+](CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029618833	0	53	0.0	-70.29	396.47	3.86	-66.43
C[N@@H+](CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029618833	1	53	0.0	-69.88	399.52	4.02	-65.86
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029618834	0	54	0.0	-73.62	428.53	5.86	-67.76
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029618834	1	54	0.0	-74.12	428.25	5.90	-68.22
CC[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029618843	0	47	0.0	-60.60	353.90	3.29	-57.31
CC(COCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCC1	REAL300029618850	0	55	0.0	-61.98	425.89	4.72	-57.26
CN(CCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)C1=CC=[NH+]C=C1	REAL300029619017	0	50	0.0	-68.05	404.00	3.13	-64.92
CC1=[NH+]C=CN1CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029619135	1	43	0.0	-67.16	358.47	3.07	-64.09
CC(C[NH+]1CCOCC1)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029619137	1	52	0.0	-59.22	396.44	2.70	-56.52
O=C(CCC[NH+]1CCCCC1)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029619155	0	54	0.0	-72.72	414.16	4.69	-68.03
C[NH+](C)CC1=CC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)=NO1	REAL300029619175	1	47	0.0	-79.39	384.98	2.74	-76.65
CC1=C(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300029619177	0	46	0.0	-70.78	377.25	5.87	-64.91
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029619237	1	49	0.0	-65.71	394.76	4.20	-61.51
O=C(NC[C@H]1CCCN1C(=O)C1CCCC2CCC[N@@H+]21)C1=CC(=O)[N-]O1	REAL300029619292	0	52	0.0	-66.05	380.82	4.65	-61.40
O=C(NC[C@H]1CCCN1C(=O)C1CCCC2CCC[N@H+]21)C1=CC(=O)[N-]O1	REAL300029619292	1	52	0.0	-57.39	387.98	4.82	-52.57
CC[N@@H+]1CCOC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029619333	1	49	0.0	-81.19	376.92	3.06	-78.13
CC[N@H+]1CCOC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029619333	1	49	0.0	-81.60	379.37	2.29	-79.31
O=C(NC[C@H]1CCCN1C(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC(=O)[N-]O1	REAL300029619407	0	43	0.0	-69.61	350.23	5.40	-64.21
CC1=C[NH+]=CN1CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029619412	1	43	0.0	-69.00	358.83	3.80	-65.20
C[NH+](C)CCN1C=C(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C=N1	REAL300029619418	0	51	0.0	-75.75	403.65	3.34	-72.41
C[NH+](C)CCN1C=CC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300029619432	0	51	0.0	-87.58	410.53	3.21	-84.37
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029619439	0	48	0.0	-72.05	365.84	2.65	-69.40
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029619439	1	48	0.0	-68.58	365.72	3.44	-65.14
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029619442	1	52	0.0	-66.55	415.09	4.71	-61.84
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029619445	0	51	0.0	-72.70	383.13	2.98	-69.72
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029619445	1	51	0.0	-72.53	388.49	3.32	-69.21
CC1CCC(C)[NH+]1CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029619468	0	51	0.0	-67.06	389.36	3.53	-63.53
O=C(CCC[NH+]1CCCC1)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029619478	0	51	0.0	-72.36	398.90	4.02	-68.34
C[NH+](C)CC1=CC=CC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029619479	0	51	0.0	-67.64	399.15	5.19	-62.45
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029619488	0	50	0.0	-71.85	391.99	4.87	-66.98
O=C(CC[NH+]1CCCCC1)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029619489	0	51	0.0	-71.66	393.55	3.92	-67.74
O=C(CN1C=[NH+]C2=C1CCCC2)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029619511	1	50	0.0	-68.24	400.74	5.51	-62.73
C[NH+](C)CC1(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL300029619546	0	57	0.0	-70.16	389.91	5.58	-64.58
C[N@H+](CCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300029619550	0	57	0.0	-73.30	427.94	5.07	-68.23
C[N@@H+](CCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300029619550	1	57	0.0	-74.30	427.53	5.10	-69.20
C[NH+](C)C1(CC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029619553	0	54	0.0	-73.38	387.60	4.17	-69.21
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)=NN1	REAL300029619568	1	52	0.0	-79.27	412.63	2.74	-76.53
C[N@H+]1CCCC1C1=CC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)=NN1	REAL300029619568	1	52	0.0	-79.20	411.99	2.73	-76.47
C[N@H+](CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029619797	0	48	0.0	-68.38	375.21	3.45	-64.93
C[N@@H+](CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029619797	1	48	0.0	-67.81	375.70	3.44	-64.37
CC(C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300029619831	0	54	0.0	-59.15	390.85	4.32	-54.83
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300029619848	0	54	0.0	-79.58	421.50	4.42	-75.16
O=C(CCCC[NH+]1CCCC1)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029619853	0	54	0.0	-73.16	420.40	4.80	-68.36
C[N@H+](CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029619856	1	51	0.0	-75.42	405.73	5.04	-70.38
C[N@@H+](CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029619856	1	51	0.0	-74.93	406.10	5.02	-69.91
C[NH+]1CCC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029619872	0	48	0.0	-73.11	367.91	3.74	-69.37
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029619933	0	45	0.0	-70.83	348.09	1.94	-68.89
C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029619933	1	45	0.0	-67.90	351.16	2.28	-65.62
C[N@@H+]1CCCC1CCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029619962	0	51	0.0	-74.76	396.73	3.97	-70.79
C[N@H+]1CCCC1CCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029619962	1	51	0.0	-76.58	392.97	3.82	-72.76
O=C(NC[C@H]1CCCN1C(=O)C1CCC2CCCC[N@@H+]21)C1=CC(=O)[N-]O1	REAL300029619979	0	52	0.0	-66.06	390.47	3.88	-62.18
O=C(NC[C@H]1CCCN1C(=O)C1CCC2CCCC[N@H+]21)C1=CC(=O)[N-]O1	REAL300029619979	1	52	0.0	-67.76	389.81	3.91	-63.85
CCC[N@@H+]1CCCC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029620074	0	54	0.0	-56.02	399.42	5.26	-50.76
CCC[N@H+]1CCCC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029620074	1	54	0.0	-65.66	406.64	5.18	-60.48
CC(C)[N@@H+]1CCOC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029620091	1	52	0.0	-77.76	393.01	3.49	-74.27
CC(C)[N@H+]1CCOC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029620091	1	52	0.0	-79.10	397.07	2.84	-76.26
O=C(C[NH+]1CCC(CO)CC1)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029620178	0	52	0.0	-71.67	402.79	0.60	-71.07
C[NH+]1C2CCC1CC(=CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029620226	0	53	0.0	-70.18	401.41	4.43	-65.75
CC1C(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029620245	0	48	0.0	-65.95	371.56	3.56	-62.39
CC1C(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029620245	1	48	0.0	-71.39	365.96	2.48	-68.91
C[N@@H+]1CCCCC1CCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029620249	0	54	0.0	-76.59	403.35	4.21	-72.38
C[N@H+]1CCCCC1CCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029620249	1	54	0.0	-75.32	403.07	4.23	-71.09
NC1=[NH+]C2=C(C=C1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029620286	1	48	0.0	-59.41	377.68	2.97	-56.44
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029620365	0	51	0.0	-64.03	363.39	3.91	-60.12
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029620365	1	51	0.0	-67.14	390.53	3.14	-64.00
O=C(NC[C@H]1CCCN1C(=O)C1CCN(C2=CC=[NH+]C=C2)C1)C1=CC(=O)[N-]O1	REAL300029620385	0	51	0.0	-73.72	399.53	1.80	-71.92
C[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029620391	0	44	0.0	-61.01	340.42	2.51	-58.50
C[NH+](C)CC1=CC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)=CC=N1	REAL300029620412	1	50	0.0	-70.03	396.28	3.84	-66.19
C=CCC(C)(C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029620418	0	51	0.0	-75.97	368.06	4.09	-71.88
CC[NH+](CC)CCSCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029620456	0	54	0.0	-76.35	427.44	4.52	-71.83
NC1=C(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C=[NH+]C2=CC=CC=C21	REAL300029620457	1	47	0.0	-63.38	375.15	2.40	-60.98
O=C(CC[NH+]1CCCC1)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029620462	0	48	0.0	-72.09	376.85	3.14	-68.95
C[N@H+](CCO)CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029620471	1	45	0.0	-70.79	357.47	-1.14	-71.93
C[N@@H+](CCO)CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029620471	1	45	0.0	-71.40	357.19	-1.07	-72.47
O=C(NC[C@H]1CCCN1C(=O)C1C[N@@H+]2CCN1CCC2)C1=CC(=O)[N-]O1	REAL300029620514	0	51	0.0	-80.08	375.30	0.66	-79.42
O=C(NC[C@H]1CCCN1C(=O)C1C[N@H+]2CCN1CCC2)C1=CC(=O)[N-]O1	REAL300029620514	1	51	0.0	-77.33	377.36	1.18	-76.15
CC(C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300029620553	1	49	0.0	-70.79	385.62	3.35	-67.44
C[N@H+]1CC=C(CC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029620602	0	49	0.0	-69.64	388.24	3.82	-65.82
C[N@@H+]1CC=C(CC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029620602	1	49	0.0	-67.38	388.48	3.79	-63.59
C[NH+]1CC(N2CC(C(=O)N3CCC[C@@H]3CNC(=O)C3=CC(=O)[N-]O3)CC2=O)C1	REAL300029620613	1	53	0.0	-73.72	414.82	2.04	-71.68
C[S+](C)CCC(O)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029620621	0	47	0.0	-77.32	389.30	0.80	-76.52
CN1CC[N@H+](C)CC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029620669	0	53	0.0	-68.62	395.14	1.20	-67.42
CN1CC[N@@H+](C)CC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029620669	1	53	0.0	-69.29	395.71	0.87	-68.42
CC(C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300029620670	0	52	0.0	-61.71	394.93	1.04	-60.67
CC(C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)[N@H+]1CCCC(O)C1	REAL300029620670	1	52	0.0	-66.21	394.95	1.05	-65.16
C[N@@H+]1CCCC(O)(CC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029620714	0	52	0.0	-67.38	389.83	1.60	-65.78
C[N@H+]1CCCC(O)(CC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029620714	1	52	0.0	-66.96	399.51	1.82	-65.14
CC1C[NH+](CC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029620720	1	45	0.0	-70.70	360.38	2.61	-68.09
CC[N@@H+]1CCCC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029620727	0	51	0.0	-54.85	377.94	4.54	-50.31
CC[N@H+]1CCCC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029620727	1	51	0.0	-63.15	384.77	4.28	-58.87
NC1=[NH+]C=CC=C1CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029620743	0	44	0.0	-66.77	363.36	1.29	-65.48
O=C(NC[C@H]1CCCN1C(=O)C1CCC[N@@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300029620755	0	49	0.0	-71.63	375.86	3.20	-68.43
O=C(NC[C@H]1CCCN1C(=O)C1CCC[N@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300029620755	1	49	0.0	-59.73	377.61	4.29	-55.44
CC1C[N@@H+](C2CCC2C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029620785	0	56	0.0	-72.75	432.84	3.28	-69.47
CC1C[N@H+](C2CCC2C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029620785	1	56	0.0	-68.63	416.65	3.47	-65.16
O=C(NC[C@H]1CCCN1C(=O)C1=CC=C(C[NH+]2CCCC2)O1)C1=CC(=O)[N-]O1	REAL300029620806	0	52	0.0	-80.42	415.77	4.42	-76.00
O=C(C=CC[NH+]1CCCC1)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029620813	0	49	0.0	-74.39	391.14	3.89	-70.50
O=C(NC[C@H]1CCCN1C(=O)C1CC[NH+](C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300029620844	0	52	0.0	-74.04	391.79	3.93	-70.11
CC[N@H+](C)CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029620895	0	44	0.0	-70.39	346.80	2.13	-68.26
O=C(CN1CC2C=CC1C2)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029620969	0	47	0.0	-67.03	367.91	3.32	-63.71
O=C(C[N@@H+]1CC2C=CC1C2)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029620969	1	47	0.0	-68.50	368.85	3.41	-65.09
O=C(C[N@H+]1CC2C=CC1C2)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029620969	1	47	0.0	-68.50	368.85	3.41	-65.09
CC1=CC=C(NCCC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)N=C1	REAL300029620993	0	50	0.0	-68.14	407.98	2.89	-65.25
CC1=CC=C(NCCC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)[NH+]=C1	REAL300029620993	1	50	0.0	-68.14	407.98	2.89	-65.25
CC(OCC[NH+](C)C)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029621150	0	51	0.0	-63.66	396.33	3.69	-59.97
C[NH+](C)CCOCCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029621163	0	51	0.0	-72.11	405.75	2.29	-69.82
COCCN(C)CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029621165	0	48	0.0	-71.30	379.44	1.32	-69.98
COCC[N@H+](C)CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029621165	1	48	0.0	-71.04	379.72	1.27	-69.77
COCC[N@@H+](C)CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029621165	1	48	0.0	-71.04	379.72	1.27	-69.77
CC(CCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029621174	0	50	0.0	-70.92	386.59	3.20	-67.72
CC[N@H+](CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029621216	0	48	0.0	-61.81	370.29	4.21	-57.60
CC1C[N@@H+]2CCN1C(C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029621227	0	51	0.0	-81.64	377.72	0.23	-81.41
CC1=NC(N)=CC=C1C=CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029621277	0	48	0.0	-72.14	393.61	2.13	-70.01
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029621277	1	48	0.0	-72.14	393.61	2.13	-70.01
CC1=C(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C=NN1CC[NH+](C)C	REAL300029621283	0	54	0.0	-73.06	420.33	3.79	-69.27
O=C(C[N@@H+]1CC2CCC1C2)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029621286	0	49	0.0	-68.01	375.94	3.54	-64.47
O=C(C[N@H+]1CC2CCC1C2)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029621286	1	49	0.0	-68.01	375.94	3.54	-64.47
CC(C)[NH+]1CCC(CC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029621305	0	57	0.0	-67.51	426.61	5.04	-62.47
CC(C[NH+](C)C)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029621320	0	47	0.0	-72.74	363.85	2.49	-70.25
C[N@@H+]1CC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C(C(F)(F)F)C1	REAL300029621333	0	48	0.0	-81.02	376.60	3.06	-77.96
C[N@H+]1CC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C(C(F)(F)F)C1	REAL300029621333	1	48	0.0	-81.02	376.60	3.06	-77.96
CCN1CCC1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029621377	0	45	0.0	-70.55	360.37	2.38	-68.17
CC[N@@H+]1CCC1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029621377	1	45	0.0	-68.05	352.24	2.08	-65.97
CC[N@H+]1CCC1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029621377	1	45	0.0	-68.05	352.24	2.08	-65.97
CC(C)[N@@H+]1CCCC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029621395	0	54	0.0	-63.23	401.39	4.80	-58.43
CC(C)[N@H+]1CCCC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029621395	1	54	0.0	-63.23	401.39	4.80	-58.43
CN1C=CN=C1N1CCC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029621397	0	52	0.0	-69.55	411.56	3.58	-65.97
CN1C=C[NH+]=C1N1CCC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029621397	1	52	0.0	-69.55	411.56	3.58	-65.97
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029621419	0	53	0.0	-63.02	388.09	2.68	-60.34
C#CCN1CCCCC1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029621476	0	50	0.0	-65.82	383.13	4.70	-61.12
C#CC[N@H+]1CCCCC1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029621476	1	50	0.0	-61.89	390.16	5.03	-56.86
C#CC[N@@H+]1CCCCC1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029621476	1	50	0.0	-61.89	390.16	5.03	-56.86
CNC1=NC(C)=CC=C1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029621479	0	47	0.0	-61.64	373.54	2.86	-58.78
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029621479	1	47	0.0	-61.64	373.54	2.86	-58.78
CCCC(C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029621496	0	50	0.0	-68.39	379.88	3.23	-65.16
CC(CC[NH+](C)C)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029621531	0	50	0.0	-73.16	385.42	3.06	-70.10
O=C(NC[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1=CC(=O)[N-]O1	REAL300029621593	0	55	0.0	-57.84	398.02	5.51	-52.33
O=C(NC[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1=CC(=O)[N-]O1	REAL300029621593	1	55	0.0	-57.84	398.02	5.51	-52.33
COCCCC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029621676	0	57	0.0	-77.20	446.29	3.31	-73.89
COCCCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029621676	1	57	0.0	-77.20	446.29	3.31	-73.89
C[NH+](C)C12CCC(C(=O)N3CCC[C@@H]3CNC(=O)C3=CC(=O)[N-]O3)(CC1)CC2	REAL300029621682	0	58	0.0	-79.33	405.25	4.84	-74.49
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029621689	0	51	0.0	-68.21	392.75	3.52	-64.69
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029621689	1	51	0.0	-68.21	392.75	3.52	-64.69
C[NH+](C)CCCCCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029621695	0	53	0.0	-73.86	415.93	4.40	-69.46
O=C(CC[NH+]1CCC(O)CC1)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029621701	0	52	0.0	-74.89	404.62	0.58	-74.31
CCC[N@@H+]1CCCCC1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029621706	0	54	0.0	-63.68	397.15	4.85	-58.83
CCC[N@H+]1CCCCC1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029621706	1	54	0.0	-63.68	397.15	4.85	-58.83
CC[NH+]1CCN(CCC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029621715	0	56	0.0	-72.98	428.14	2.16	-70.82
CCN1CC[NH+](CCC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029621715	1	56	0.0	-72.98	428.14	2.16	-70.82
CN1CCN(CC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029621719	0	50	0.0	-70.29	388.70	0.95	-69.34
C[NH+]1CCN(CC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029621719	1	50	0.0	-70.29	388.70	0.95	-69.34
CC(C)C[NH+]1CCC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029621860	0	57	0.0	-70.93	423.28	5.74	-65.19
CC1C[N@H+](C)CC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300029621864	1	49	0.0	-84.44	382.80	2.36	-82.08
CC1C[N@@H+](C)CC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300029621864	1	49	0.0	-82.54	372.72	3.04	-79.50
CCC1CCC[N@H+](CC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029621906	0	54	0.0	-68.24	402.56	4.10	-64.14
CCC1CCC[N@@H+](CC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029621906	1	54	0.0	-70.98	410.07	4.58	-66.40
C[NH+](C)CC1=CC=C(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)N1	REAL300029621917	0	49	0.0	-84.39	386.79	3.54	-80.85
O=C(C[NH+]1CC2CC2C1)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029621940	0	46	0.0	-70.95	364.57	3.34	-67.61
O=C(CC1([NH+]2CCCC2)CC1)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029621962	0	52	0.0	-68.92	395.22	4.21	-64.71
CC([NH2+]C1(CO)CCCC1)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029621982	0	55	0.0	-72.26	394.63	-1.16	-73.42
C[N@@H+]1CCCCC1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029622017	0	48	0.0	-69.00	358.13	2.58	-66.42
C[N@H+]1CCCCC1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029622017	1	48	0.0	-67.45	370.10	3.04	-64.41
O=C(NC[C@H]1CCCN1C(=O)C1CC[N@@H+]1CC1=CC=CC=C1)C1=CC(=O)[N-]O1	REAL300029622024	1	52	0.0	-67.97	412.67	5.09	-62.88
O=C(NC[C@H]1CCCN1C(=O)C1CC[N@H+]1CC1=CC=CC=C1)C1=CC(=O)[N-]O1	REAL300029622024	1	52	0.0	-71.13	411.42	4.87	-66.26
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029622031	0	57	0.0	-58.97	420.65	5.91	-53.06
CC(C)C[N@H+]1CCCC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029622031	1	57	0.0	-67.02	428.32	5.62	-61.40
C[NH+](C)C1CCN(CC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029622097	0	56	0.0	-70.66	423.11	2.15	-68.51
C[N@@H+]1CCC(=CC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029622173	0	46	0.0	-74.96	367.51	2.99	-71.97
C[N@H+]1CCC(=CC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029622173	1	46	0.0	-75.07	367.72	3.01	-72.06
O=C(CNC1=CC=[NH+]C=C1)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029622181	0	44	0.0	-72.25	364.79	0.74	-71.51
CC[NH+]1CCN(CC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029622249	0	53	0.0	-69.83	405.90	1.64	-68.19
O=C(C=C1C[NH+]2CCC1CC2)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029622252	0	50	0.0	-66.00	384.08	3.83	-62.17
C[N@H+](CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029622315	0	52	0.0	-65.45	399.55	0.85	-64.60
C[N@@H+](CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029622315	1	52	0.0	-68.42	399.95	0.84	-67.58
O=C(NC[C@H]1CCCN1C(=O)C1C[NH+](C2CCOCC2)C1)C1=CC(=O)[N-]O1	REAL300029622324	0	53	0.0	-76.40	411.89	2.43	-73.97
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029622341	0	45	0.0	-67.01	350.36	2.30	-64.71
C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029622341	1	45	0.0	-68.70	347.49	1.96	-66.74
CCN1CCOCC1CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029622381	0	52	0.0	-76.26	396.76	1.98	-74.28
CC[N@@H+]1CCOCC1CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029622381	1	52	0.0	-71.28	395.15	2.50	-68.78
CC[N@H+]1CCOCC1CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029622381	1	52	0.0	-71.28	395.15	2.50	-68.78
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)NC2=C1CCC[NH2+]2)C1=CC(=O)[N-]O1	REAL300029622388	0	49	0.0	-90.48	393.36	1.63	-88.85
O=C(NC[C@H]1CCCN1C(=O)C1C[NH+](C2CCCCC2)C1)C1=CC(=O)[N-]O1	REAL300029622411	0	55	0.0	-75.69	420.64	4.80	-70.89
NC1=NC2=CC(C(=O)N3CCC[C@@H]3CNC(=O)C3=CC(=O)[N-]O3)=CC=C2N1	REAL300029622493	0	45	0.0	-69.78	365.36	2.97	-66.81
NC1=[NH+]C2=CC(C(=O)N3CCC[C@@H]3CNC(=O)C3=CC(=O)[N-]O3)=CC=C2N1	REAL300029622493	1	45	0.0	-69.78	365.36	2.97	-66.81
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029622546	0	48	0.0	-71.30	378.72	3.17	-68.13
CC1CCCC(C)[NH+]1CCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029622561	0	57	0.0	-69.90	419.32	4.56	-65.34
C[NH+](C)C1CCC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029622564	0	54	0.0	-74.78	401.92	4.84	-69.94
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029622568	0	54	0.0	-60.88	393.74	4.68	-56.20
C[N@@H+]1CC=CCC1CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029622569	0	49	0.0	-75.96	380.32	3.57	-72.39
C[N@H+]1CC=CCC1CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029622569	1	49	0.0	-75.13	379.98	3.54	-71.59
CC1=CC(C=CC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)=C[NH+]=C1N	REAL300029622640	1	48	0.0	-75.25	394.01	2.45	-72.80
C[NH+](C)CCOCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029622656	0	48	0.0	-71.67	385.17	2.53	-69.14
CCCCC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029622664	0	56	0.0	-74.09	434.12	5.01	-69.08
CCCCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029622664	1	56	0.0	-74.16	434.12	5.02	-69.14
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300029622678	0	52	0.0	-73.24	405.68	3.25	-69.99
[NH2+]=C1SC=CN1CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029622705	0	41	0.0	-66.75	356.19	1.65	-65.10
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029622804	0	51	0.0	-70.03	399.92	2.91	-67.12
C[NH+]1CCC(O)(C2(C(=O)N3CCC[C@@H]3CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029622808	0	56	0.0	-66.44	413.16	2.76	-63.68
O=C(CC[NH+]1CCCCCC1)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029622884	0	54	0.0	-73.57	403.55	4.11	-69.46
O=C(C[NH+]1CCCCC1)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029622890	0	48	0.0	-70.35	370.84	3.34	-67.01
C[N@@H+]1CCCC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029622892	0	48	0.0	-54.01	360.27	3.89	-50.12
C[N@H+]1CCCC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029622892	1	48	0.0	-65.00	366.59	3.66	-61.34
O=C(C[NH+]1CCC(CO)CC1)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029622894	0	52	0.0	-71.67	402.79	0.60	-71.07
O=C(C[NH+]1CCCCCC1)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029622900	0	51	0.0	-69.51	380.44	3.50	-66.01
CN1C=C[N+](CC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029622907	0	43	0.0	-67.61	360.33	4.98	-62.63
C[NH+](C)CC1=CC=C(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300029622928	1	48	0.0	-82.19	390.35	3.33	-78.86
C[NH+](C)CC1=CC=C(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C=N1	REAL300029622937	0	50	0.0	-77.33	394.49	3.66	-73.67
O=C(C[NH+]1CCC(O)CC1)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029622953	0	49	0.0	-73.97	382.19	-0.05	-74.02
C[N@H+](CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029622961	0	45	0.0	-67.03	358.82	2.86	-64.17
C[N@@H+](CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029622961	1	45	0.0	-68.07	358.48	2.87	-65.20
CC(C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300029622963	1	53	0.0	-69.43	396.54	1.00	-68.43
O=C(CC[N@H+]1CCC(F)C1)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029622971	0	48	0.0	-77.62	383.75	3.28	-74.34
O=C(CC[N@@H+]1CCC(F)C1)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029622971	1	48	0.0	-76.95	383.41	3.21	-73.74
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029623005	0	54	0.0	-73.14	421.46	6.06	-67.08
CC(CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029623011	0	50	0.0	-72.93	386.31	3.52	-69.41
O=C(NC[C@H]1CCCN1C(=O)C1CC[N@@H+]2CCOCC12)C1=CC(=O)[N-]O1	REAL300029623036	0	50	0.0	-68.44	379.70	1.57	-66.87
O=C(NC[C@H]1CCCN1C(=O)C1CC[N@H+]2CCOCC12)C1=CC(=O)[N-]O1	REAL300029623036	1	50	0.0	-69.37	383.32	1.50	-67.87
CC1=[NH+]C=C2C=CC(C(=O)N3CCC[C@@H]3CNC(=O)C3=CC(=O)[N-]O3)=CN21	REAL300029623045	0	46	0.0	-65.71	371.93	4.98	-60.73
C[N@@H+]1CCOCC1CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029623070	1	49	0.0	-65.18	372.23	1.16	-64.02
C[N@H+]1CCOCC1CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029623070	1	49	0.0	-67.56	372.20	1.16	-66.40
C[NH+](C)CC(C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300029623079	0	54	0.0	-79.75	420.61	5.21	-74.54
CC[NH+]1CCN(CC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029623084	0	53	0.0	-69.83	405.90	1.64	-68.19
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029623150	1	44	0.0	-69.66	352.74	1.50	-68.16
NC1=CC=C(CCC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C=[NH+]1	REAL300029623153	0	47	0.0	-71.12	388.13	1.99	-69.13
CC1(O)CC[N@H+](CC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029623214	0	49	0.0	-69.07	385.07	-0.12	-69.19
CC1(O)CC[N@@H+](CC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029623214	1	49	0.0	-69.08	385.36	-0.13	-69.21
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029623224	0	51	0.0	-55.89	398.54	3.45	-52.44
C[NH+]1CC(CC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029623260	0	45	0.0	-71.32	360.81	2.30	-69.02
O=C(NC[C@H]1CCCN1C(=O)C1CC[N@@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300029623266	0	52	0.0	-67.08	390.08	4.76	-62.32
O=C(NC[C@H]1CCCN1C(=O)C1CC[N@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300029623266	1	52	0.0	-69.25	394.62	3.95	-65.30
C[N@H+](CCO)CCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029623321	0	48	0.0	-72.54	379.97	-0.50	-73.04
C[N@@H+](CCO)CCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029623321	1	48	0.0	-71.46	379.99	-0.53	-71.99
C[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029623322	0	44	0.0	-61.01	340.42	2.51	-58.50
C[N@@H+]1CCCCC1CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029623344	0	51	0.0	-62.15	380.82	3.55	-58.60
C[N@H+]1CCCCC1CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029623344	1	51	0.0	-64.18	381.07	3.53	-60.65
CC1=C2C=C(C(=O)N3CCC[C@@H]3CNC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029623372	1	46	0.0	-74.54	372.80	5.74	-68.80
CC(C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300029623373	0	48	0.0	-62.96	370.92	3.71	-59.25
CC1CC[N@@H+]1CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029623378	1	45	0.0	-68.14	355.10	2.25	-65.89
CC1CC[N@H+]1CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029623378	1	45	0.0	-68.35	354.84	2.28	-66.07
C[NH+](C)CC=CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029623394	0	45	0.0	-75.46	366.07	2.72	-72.74
CC1(C)C[NH+](CC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029623411	1	48	0.0	-70.68	379.73	3.01	-67.67
O=C(CCCC[NH+]1CCCCC1)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029623426	0	57	0.0	-73.22	436.07	5.50	-67.72
CC1=C(C)[NH+]=C(CCC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)N1	REAL300029623441	1	49	0.0	-66.43	399.76	2.77	-63.66
C[N@@H+]1CCC2=C(C1)SC(C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)=C2	REAL300029623442	1	49	0.0	-80.94	393.83	4.89	-76.05
C[N@H+]1CCC2=C(C1)SC(C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)=C2	REAL300029623442	1	49	0.0	-82.15	393.46	4.93	-77.22
C[NH+]1CCC(C2(C(=O)N3CCC[C@@H]3CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029623453	0	55	0.0	-70.66	410.26	5.48	-65.18
CC1=C2C=C(C(=O)N3CCC[C@@H]3CNC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029623463	1	46	0.0	-74.54	372.80	5.74	-68.80
C[NH+](C)CCSCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029623477	0	48	0.0	-78.26	396.29	3.43	-74.83
CC(C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)[N@H+](C)CC1=CC=CC=C1	REAL300029623497	0	54	0.0	-66.89	419.15	5.85	-61.04
CC(C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)[N@@H+](C)CC1=CC=CC=C1	REAL300029623497	1	54	0.0	-72.02	422.25	5.36	-66.66
NC1=[NH+]C2=C(C=C1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)CCCC2	REAL300029623501	1	51	0.0	-59.35	394.83	3.56	-55.79
O=C(C[N@H+]1CCCC1CO)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029623509	0	49	0.0	-69.43	384.23	0.01	-69.42
O=C(C[N@@H+]1CCCC1CO)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029623509	1	49	0.0	-68.93	379.17	-0.45	-69.38
CC[NH+](CC)CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029623512	0	47	0.0	-68.76	360.39	2.53	-66.23
C[N@H+](CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029623529	0	49	0.0	-76.22	388.60	3.70	-72.52
C[N@@H+](CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029623529	1	49	0.0	-74.01	388.67	3.68	-70.33
O=C(C[NH+]1CCC1)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029623531	1	42	0.0	-70.58	339.61	1.92	-68.66
CC[NH+](CC)CCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029623581	0	50	0.0	-71.40	387.19	3.42	-67.98
NC(=O)C1CC[NH+](CC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029623603	0	52	0.0	-84.99	407.90	0.00	-84.99
C[NH+](C)CC1=CNC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029623655	0	49	0.0	-75.03	387.05	3.61	-71.42
CC(C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300029623676	0	52	0.0	-71.66	398.97	0.36	-71.30
O=C(NC[C@H]1CCCN1C(=O)C1CC2COCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300029623683	0	50	0.0	-69.75	386.21	1.71	-68.04
O=C(NC[C@H]1CCCN1C(=O)C1CC2COCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300029623683	1	50	0.0	-73.91	385.08	1.61	-72.30
CC(C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300029623701	0	45	0.0	-61.74	352.39	3.02	-58.72
CCC(CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029623714	0	53	0.0	-76.67	404.68	4.11	-72.56
NC1=CC=C(C=CC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C=[NH+]1	REAL300029623721	0	45	0.0	-74.56	375.34	1.68	-72.88
C[NH+](C)C(CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300029623760	0	54	0.0	-69.16	416.50	5.32	-63.84
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029623796	0	48	0.0	-69.04	358.17	2.55	-66.49
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029623796	1	48	0.0	-67.71	369.56	3.01	-64.70
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029623811	0	51	0.0	-78.71	378.24	0.03	-78.68
CC1CN2CC[N@H+]1CC2C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029623811	1	51	0.0	-77.06	378.25	0.04	-77.02
C[NH+](C)CC(O)CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029623841	0	48	0.0	-77.25	381.77	0.45	-76.80
C[NH+]1C2CCC1CC(C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029623844	0	52	0.0	-67.79	344.51	4.11	-63.68
C#CC1(O)CC[NH+](C(C)C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029623884	0	54	0.0	-62.87	416.66	1.95	-60.92
C=CCC(C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029623896	0	48	0.0	-64.79	368.55	2.83	-61.96
O=C(NC[C@H]1CCCN1C(=O)C1CC2CCCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300029623909	0	52	0.0	-68.22	393.90	4.07	-64.15
O=C(NC[C@H]1CCCN1C(=O)C1CC2CCCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300029623909	1	52	0.0	-68.62	392.22	4.05	-64.57
C[NH+]1CCC(O)(CC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029623928	0	52	0.0	-73.92	399.72	1.76	-72.16
COCC[N@@H+]1CCCC1CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029623946	0	55	0.0	-61.48	419.85	3.39	-58.09
COCC[N@H+]1CCCC1CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029623946	1	55	0.0	-66.06	419.19	3.58	-62.48
C[NH+]1C2CCC1CC(CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029623956	0	55	0.0	-73.18	394.68	3.88	-69.30
C[NH+](C)CCN1N=CC=C1C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029623998	0	51	0.0	-58.83	391.45	4.32	-54.51
C[N@@H+]1CCC2=C(C1)SC(C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)=C2	REAL300029624040	1	49	0.0	-86.61	400.79	4.39	-82.22
C[N@H+]1CCC2=C(C1)SC(C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)=C2	REAL300029624040	1	49	0.0	-86.72	400.83	4.38	-82.34
C[NH+]1CCC(C2(C(=O)NC[C@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029624052	0	55	0.0	-68.27	415.01	5.10	-63.17
CC1=C2C=C(C(=O)NC[C@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029624065	1	46	0.0	-80.29	378.24	5.42	-74.87
C[NH+](C)CCSCC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029624080	0	48	0.0	-82.72	393.66	3.25	-79.47
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC2COCC[N@@H+]2C1	REAL300029624092	0	50	0.0	-77.82	385.50	1.65	-76.17
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC2COCC[N@H+]2C1	REAL300029624092	1	50	0.0	-75.06	385.21	1.67	-73.39
C[N@@H+]1CCCC1C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029624256	0	51	0.0	-74.17	399.67	3.36	-70.81
C[N@H+]1CCCC1C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029624256	1	51	0.0	-75.05	399.54	3.45	-71.60
C[N@@H+]1CCOC(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029624280	1	52	0.0	-87.10	416.98	3.34	-83.76
C[N@H+]1CCOC(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029624280	1	52	0.0	-78.24	409.78	3.20	-75.04
CC(C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300029624441	0	60	0.0	-71.55	449.73	5.22	-66.33
CC(C)[N@@H+]1CCCCC1C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029624443	0	60	0.0	-69.74	452.71	5.39	-64.35
CC(C)[N@H+]1CCCCC1C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029624443	1	60	0.0	-69.94	446.47	5.45	-64.49
CC(C)[N@@H+]1CCCC1C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029624464	0	57	0.0	-72.68	432.46	5.16	-67.52
CC(C)[N@H+]1CCCC1C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029624464	1	57	0.0	-70.78	438.30	5.01	-65.77
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@@H+]2C1	REAL300029624480	0	58	0.0	-78.82	446.93	5.58	-73.24
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@H+]2C1	REAL300029624480	1	58	0.0	-72.75	446.92	5.63	-67.12
CC(C)C1=[NH+]C=CN1CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029624501	1	55	0.0	-70.99	445.30	5.54	-65.45
CC1=[NH+]C=CN1CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029624531	1	49	0.0	-72.23	409.09	4.42	-67.81
CC(C[NH+]1CCOCC1)C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029624532	0	58	0.0	-78.13	450.96	3.55	-74.58
O=C(CCC[NH+]1CCCCC1)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029624548	0	60	0.0	-77.33	464.64	6.08	-71.25
CC(C)(C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029624566	0	60	0.0	-75.39	449.01	5.79	-69.60
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+]2CCC1CC2	REAL300029624574	0	55	0.0	-81.21	421.03	4.61	-76.60
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC2CCC[N@@H+]21	REAL300029624615	0	58	0.0	-68.67	444.09	5.73	-62.94
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC2CCC[N@H+]21	REAL300029624615	1	58	0.0	-68.91	444.11	5.72	-63.19
C[C@@H]1[C@H](C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029624629	0	54	0.0	-79.46	416.18	3.77	-75.69
C[C@@H]1[C@H](C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029624629	1	54	0.0	-76.34	421.72	4.30	-72.04
CC[C@@H]1[C@@H](C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029624633	0	57	0.0	-77.22	436.38	4.52	-72.70
CC[C@@H]1[C@@H](C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029624633	1	57	0.0	-77.12	442.06	4.87	-72.25
CC[N@@H+]1CCOC(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029624643	1	55	0.0	-79.39	427.72	3.76	-75.63
CC[N@H+]1CCOC(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029624643	1	55	0.0	-77.54	427.74	3.75	-73.79
CC[NH+](CC)CC(F)C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029624684	0	56	0.0	-77.95	442.98	4.83	-73.12
CC1CCC(C)[NH+]1CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029624747	0	57	0.0	-71.73	436.79	4.82	-66.91
O=C(CCC[NH+]1CCCC1)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029624753	0	57	0.0	-77.01	449.49	5.35	-71.66
C#CC[NH+]1CCC(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029624758	0	56	0.0	-81.67	449.37	5.75	-75.92
O=C(CC[NH+]1CCCCC1)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029624759	0	57	0.0	-76.81	443.14	5.29	-71.52
CC[N@@H+]1CCCCC1C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029624765	0	57	0.0	-71.48	429.96	4.97	-66.51
CC[N@H+]1CCCCC1C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029624765	1	57	0.0	-70.80	439.29	5.11	-65.69
CC(C)C[N@@H+]1CCC(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029624779	0	60	0.0	-76.14	464.61	5.86	-70.28
CC(C)C[N@H+]1CCC(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029624779	1	60	0.0	-76.45	465.57	5.84	-70.61
C[NH+](C)C1(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300029624783	0	54	0.0	-78.97	413.78	4.05	-74.92
CC(C)[N@@H+]1CCCC1CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029624785	0	60	0.0	-67.52	448.88	5.33	-62.19
CC(C)[N@H+]1CCCC1CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029624785	1	60	0.0	-74.34	458.84	5.52	-68.82
CC(C)[C@@H](C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029624798	0	56	0.0	-72.98	423.81	4.42	-68.56
C[N@H+](CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029624839	0	54	0.0	-73.10	425.88	4.79	-68.31
C[N@@H+](CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029624839	1	54	0.0	-73.47	425.78	4.79	-68.68
CC(C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300029624898	0	60	0.0	-69.26	449.02	5.30	-63.96
C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029624957	1	53	0.0	-73.32	426.28	4.59	-68.73
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029624957	1	53	0.0	-72.93	432.16	5.09	-67.84
C[N@@H+]1CCCC1CCC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029624963	0	57	0.0	-79.69	446.99	5.38	-74.31
C[N@H+]1CCCC1CCC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029624963	1	57	0.0	-75.62	441.62	4.84	-70.78
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[NH+](CCC1)C2	REAL300029624972	0	58	0.0	-76.50	437.03	5.01	-71.49
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC2CCCC[N@@H+]21	REAL300029624975	0	58	0.0	-70.20	447.47	5.84	-64.36
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC2CCCC[N@H+]21	REAL300029624975	1	58	0.0	-70.31	447.36	5.83	-64.48
O=C(CCCC[NH+]1CCCC1)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029624991	0	60	0.0	-77.92	470.99	6.13	-71.79
C[NH+]1CCC(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029625002	0	54	0.0	-80.56	424.18	4.56	-76.00
C[NH+](C)CC1=CC(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300029625037	1	53	0.0	-83.85	438.78	3.84	-80.01
CC1=C(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300029625038	0	52	0.0	-79.80	431.98	6.56	-73.24
C[N@@H+]1CCCCC1C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029625069	0	54	0.0	-72.73	412.15	4.31	-68.42
C[N@H+]1CCCCC1C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029625069	1	54	0.0	-73.12	412.25	4.30	-68.82
CC(C)C[N@@H+]1CCCC1C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029625091	0	60	0.0	-72.08	464.45	6.06	-66.02
CC(C)C[N@H+]1CCCC1C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029625091	1	60	0.0	-72.32	464.21	6.08	-66.24
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN2C=[NH+]C=C2C=C1	REAL300029625191	0	49	0.0	-77.39	409.76	6.38	-71.01
CC1=[NH+]C=CN1CCCC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029625199	1	55	0.0	-74.13	450.63	5.71	-68.42
O=C(CC[NH+]1CCOCC1)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029625204	1	55	0.0	-80.18	434.93	2.83	-77.35
CC1=C[NH+]=CN1CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029625234	1	49	0.0	-75.26	409.42	5.15	-70.11
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[NH+]1CCC2	REAL300029625273	0	55	0.0	-77.54	424.31	4.81	-72.73
C[NH+](C)C1CCCC(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029625297	0	60	0.0	-70.39	451.91	5.56	-64.83
C[N@@H+]1CCC(CC(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029625300	0	54	0.0	-79.40	426.23	4.40	-75.00
C[N@H+]1CCC(CC(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029625300	1	54	0.0	-78.82	426.01	4.41	-74.41
CN(C)C1=CC=[NH+]C=C1C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029625312	0	53	0.0	-84.01	430.48	3.69	-80.32
CCC(C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029625317	0	53	0.0	-72.47	410.31	3.79	-68.68
C[NH+](C)C1(CC(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029625329	0	60	0.0	-78.98	443.49	5.24	-73.74
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC2=C[NH+]=CN2C=C1	REAL300029625370	1	49	0.0	-82.30	410.10	6.33	-75.97
C[NH+](C)CCCCC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029625424	0	56	0.0	-79.20	445.02	4.96	-74.24
CC(C)C(C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029625444	0	56	0.0	-73.38	427.04	5.05	-68.33
CCC[N@H+](C)CCC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029625446	0	56	0.0	-78.25	441.19	4.84	-73.41
CCC[N@@H+](C)CCC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029625446	1	56	0.0	-78.18	441.25	4.76	-73.42
CCC[N@H+](C)CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029625451	0	53	0.0	-75.33	418.89	4.23	-71.10
CCC[N@@H+](C)CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029625451	1	53	0.0	-75.31	418.82	4.29	-71.02
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@H+](C1)CCC2	REAL300029625474	0	55	0.0	-82.53	421.45	4.12	-78.41
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@@H+](C1)CCC2	REAL300029625474	1	55	0.0	-77.43	421.24	4.10	-73.33
C[N@@H+]1CCC[C@@H]1C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029625510	0	51	0.0	-74.14	399.59	3.44	-70.70
C[N@H+]1CCC[C@@H]1C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029625510	1	51	0.0	-72.21	405.88	3.95	-68.26
CCCCCC[N@H+](C)CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029625567	0	62	0.0	-76.60	483.38	6.57	-70.03
CCCCCC[N@@H+](C)CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029625567	1	62	0.0	-76.65	483.38	6.57	-70.08
CC[NH+](CC)C(C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300029625571	0	62	0.0	-68.55	460.00	6.03	-62.52
CC[NH+](CC)CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029625580	0	53	0.0	-73.45	415.76	4.17	-69.28
CCC[N@@H+]1CCCC(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029625612	0	60	0.0	-69.00	457.18	6.03	-62.97
CCC[N@H+]1CCCC(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029625612	1	60	0.0	-75.70	463.34	5.91	-69.79
CC(C)[N@@H+]1CCOC(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029625627	0	58	0.0	-77.42	444.47	4.26	-73.16
CC(C)[N@H+]1CCOC(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029625627	1	58	0.0	-83.87	451.53	4.48	-79.39
CC1CC[NH+](CC(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029625656	0	57	0.0	-75.76	442.62	5.30	-70.46
C[NH+]1CCC(OCC(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029625682	0	58	0.0	-83.25	459.61	4.90	-78.35
C[NH+](C)CC1(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029625693	0	54	0.0	-78.95	431.33	4.57	-74.38
CC(C)[NH+]1CCC(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029625766	0	60	0.0	-77.76	454.90	5.43	-72.33
C[NH+]1CCC(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029625784	0	54	0.0	-80.56	424.18	4.56	-76.00
CC(C)[C@H](C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029625802	0	56	0.0	-72.30	426.39	4.69	-67.61
CCC(C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029625833	0	59	0.0	-69.10	445.93	5.17	-63.93
CC[N@H+](C)CCC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029625889	0	53	0.0	-77.47	419.75	4.02	-73.45
CC[N@@H+](C)CCC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029625889	1	53	0.0	-77.44	419.75	4.01	-73.43
CC1CCC[N@@H+]1CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029625945	0	54	0.0	-72.06	425.54	4.55	-67.51
CC1CCC[N@H+]1CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029625945	1	54	0.0	-72.63	424.75	4.66	-67.97
CC1CC[N@H+](CC(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029625947	0	54	0.0	-74.54	425.66	4.63	-69.91
CC1CC[N@@H+](CC(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029625947	1	54	0.0	-74.56	425.53	4.62	-69.94
CC1(C)CC[N@H+](CC(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029625951	0	57	0.0	-74.51	444.55	5.14	-69.37
CC1(C)CC[N@@H+](CC(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029625951	1	57	0.0	-74.84	445.25	5.07	-69.77
C[N@H+](CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029625952	0	59	0.0	-75.38	447.50	5.22	-70.16
C[N@@H+](CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029625952	1	59	0.0	-75.20	449.45	5.36	-69.84
CC[C@@H](C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029625960	0	53	0.0	-73.78	413.84	4.48	-69.30
C[NH+]1CCC(O)(CC(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029626117	0	58	0.0	-77.83	450.20	3.13	-74.70
C[NH+](C)CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626129	0	47	0.0	-75.67	379.66	2.81	-72.86
O=C(C[NH+]1CCC(CO)CC1)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626133	0	58	0.0	-76.93	453.45	1.99	-74.94
O=C(C[NH+]1CCCCCC1)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626134	0	57	0.0	-74.39	430.73	4.87	-69.52
CN1C=C[N+](CC(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029626138	0	49	0.0	-73.24	410.89	6.32	-66.92
C[N@@H+]1CCCC(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029626145	0	54	0.0	-76.52	424.10	4.52	-72.00
C[N@H+]1CCCC(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029626145	1	54	0.0	-76.68	424.16	4.50	-72.18
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@@H+]1C1CC1	REAL300029626150	0	55	0.0	-70.26	435.45	5.39	-64.87
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@H+]1C1CC1	REAL300029626150	1	55	0.0	-72.96	429.92	4.75	-68.21
CC(C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029626177	1	51	0.0	-73.72	409.67	3.74	-69.98
CCC(CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029626182	0	59	0.0	-70.60	454.90	5.43	-65.17
C[NH+](C)CC(C)(C)C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626189	0	56	0.0	-71.14	427.19	4.51	-66.63
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC(C1)C[N@@H+]2C1CC1	REAL300029626206	0	56	0.0	-75.37	437.80	5.53	-69.84
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC(C1)C[N@H+]2C1CC1	REAL300029626206	1	56	0.0	-76.43	437.56	6.21	-70.22
O=C(C[NH+]1CCC(O)CC1)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626214	1	55	0.0	-79.05	432.47	1.33	-77.72
C[N@H+](CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029626215	0	51	0.0	-72.28	408.92	4.22	-68.06
C[N@@H+](CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029626215	1	51	0.0	-72.96	409.06	4.22	-68.74
CC(C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300029626216	1	59	0.0	-76.10	452.92	2.65	-73.45
C[NH+]1CC(CC(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029626234	0	51	0.0	-77.17	411.10	3.64	-73.53
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+]1C1CCCC1	REAL300029626238	0	58	0.0	-75.70	451.95	5.86	-69.84
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+]1C1CCCC1	REAL300029626238	1	58	0.0	-75.42	450.28	5.68	-69.74
CC(C)(C)[N@@H+]1CCC1C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626246	0	57	0.0	-73.68	423.55	4.43	-69.25
CC(C)(C)[N@H+]1CCC1C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626246	1	57	0.0	-71.87	424.86	4.05	-67.82
C[C@@H](C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029626257	0	50	0.0	-74.08	397.70	3.28	-70.80
CCC1CCC[N@H+](CC(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029626296	0	60	0.0	-75.65	453.54	5.98	-69.67
CCC1CCC[N@@H+](CC(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029626296	1	60	0.0	-75.40	460.57	5.99	-69.41
C[NH+](C)CC1=CC=C(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029626303	0	55	0.0	-88.80	446.18	4.31	-84.49
[NH2+]=C1SC=CN1CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626344	0	47	0.0	-71.75	406.73	2.99	-68.76
C[N@H+](CCO)CCC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626354	0	54	0.0	-77.16	430.11	0.80	-76.36
C[N@@H+](CCO)CCC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626354	1	54	0.0	-76.88	430.00	0.87	-76.01
C[C@@H](C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029626355	0	50	0.0	-74.08	397.70	3.28	-70.80
C[N@@H+]1CCCC[C@@H]1C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626359	0	54	0.0	-72.79	412.31	4.23	-68.56
C[N@H+]1CCCC[C@@H]1C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626359	1	54	0.0	-71.65	421.48	4.48	-67.17
CC1CN2CC[N@@H+]1CC2C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626367	0	57	0.0	-82.03	432.51	1.78	-80.25
CC1CN2CC[N@H+]1CC2C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626367	1	57	0.0	-79.16	432.35	1.86	-77.30
O=C(CC1=CC2=C[NH+]=CN2C=C1)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626409	0	52	0.0	-75.09	434.06	7.00	-68.09
C[N@H+](CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029626432	0	55	0.0	-80.49	439.00	5.06	-75.43
C[N@@H+](CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029626432	1	55	0.0	-81.40	439.00	5.03	-76.37
O=C(C[NH+]1CCC1)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626433	1	48	0.0	-75.57	389.76	3.24	-72.33
C[N@@H+]1CCC(=CC(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029626463	0	52	0.0	-79.82	417.53	4.37	-75.45
C[N@H+]1CCC(=CC(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029626463	1	52	0.0	-79.78	418.49	4.35	-75.43
C[NH+](C)CCOCC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626496	0	54	0.0	-76.14	435.53	3.88	-72.26
CCCCC[N@H+](C)CCC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626502	0	62	0.0	-79.24	484.25	6.33	-72.91
CCCCC[N@@H+](C)CCC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626502	1	62	0.0	-79.18	484.25	6.32	-72.86
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029626511	0	58	0.0	-77.38	458.36	4.89	-72.49
C=CCC(C)(C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029626518	0	57	0.0	-68.73	435.12	4.83	-63.90
C[S+](C)CCC(O)C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626523	0	53	0.0	-81.37	444.52	2.47	-78.90
C[N@@H+]1CC(O)CC1(C)C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626548	0	55	0.0	-81.73	425.99	1.06	-80.67
CN1CC[N@H+](C)CC(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029626558	0	59	0.0	-73.91	449.79	2.98	-70.93
CN1CC[N@@H+](C)CC(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029626558	1	59	0.0	-73.91	449.79	2.98	-70.93
CC(C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300029626559	0	58	0.0	-75.02	450.51	1.69	-73.33
C[N@@H+]1CCCC(O)(CC(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029626577	0	58	0.0	-71.94	449.95	3.15	-68.79
C[N@H+]1CCCC(O)(CC(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029626577	1	58	0.0	-71.94	449.95	3.15	-68.79
CC1CN(CC(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029626580	0	51	0.0	-75.50	410.87	3.97	-71.53
CC1C[NH+](CC(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029626580	1	51	0.0	-75.50	410.87	3.97	-71.53
CN(CCO)CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626606	0	51	0.0	-76.11	407.74	0.24	-75.87
C[N@H+](CCO)CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626606	1	51	0.0	-75.70	407.53	0.24	-75.46
C[N@@H+](CCO)CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626606	1	51	0.0	-75.70	407.53	0.24	-75.46
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[N@@H+]2CCN1CCC2	REAL300029626628	0	57	0.0	-86.47	426.44	2.61	-83.86
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[N@H+]2CCN1CCC2	REAL300029626628	1	57	0.0	-86.47	426.44	2.61	-83.86
CC[N@@H+]1CCCC(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029626634	0	57	0.0	-75.03	441.83	5.15	-69.88
CC[N@H+]1CCCC(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029626634	1	57	0.0	-75.03	441.83	5.15	-69.88
CC(CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029626636	0	56	0.0	-78.02	436.85	4.81	-73.21
CC[N@H+](C)CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626647	0	50	0.0	-74.99	397.33	3.55	-71.44
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@@H+]1CCCC2	REAL300029626671	0	58	0.0	-70.47	435.06	5.45	-65.02
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@H+]1CCCC2	REAL300029626671	1	58	0.0	-70.47	435.06	5.45	-65.02
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@@H+]1CC=CC2	REAL300029626676	0	56	0.0	-77.77	425.64	5.68	-72.09
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@H+]1CC=CC2	REAL300029626676	1	56	0.0	-77.77	425.64	5.68	-72.09
CC[N@H+](CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029626696	0	54	0.0	-72.38	425.97	4.91	-67.47
CC[NH+](CC)CCC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626712	0	56	0.0	-76.51	437.61	4.74	-71.77
CC1(C)CN(CC(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029626735	0	54	0.0	-75.79	430.26	4.43	-71.36
CC1(C)C[NH+](CC(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029626735	1	54	0.0	-75.79	430.26	4.43	-71.36
CC1(O)CC[N@H+](CC(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029626760	0	55	0.0	-75.74	435.81	1.29	-74.45
C[NH+](C)CC=CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626767	0	51	0.0	-80.85	415.62	4.03	-76.82
CC(OCC[NH+](C)C)C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626788	0	57	0.0	-76.93	455.31	4.57	-72.36
C[NH+](C)CCOCCC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626796	0	57	0.0	-77.26	456.48	3.60	-73.66
COCCN(C)CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626797	0	54	0.0	-75.46	429.78	2.64	-72.82
COCC[N@H+](C)CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626797	1	54	0.0	-76.38	429.99	2.64	-73.74
COCC[N@@H+](C)CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626797	1	54	0.0	-76.38	429.99	2.64	-73.74
C[NH+](C)C1(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029626830	0	57	0.0	-81.20	430.78	5.02	-76.18
CC(CCC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029626833	0	56	0.0	-76.09	437.02	4.56	-71.53
CCN1CCC1C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626840	0	51	0.0	-72.89	404.32	3.62	-69.27
CC[N@@H+]1CCC1C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626840	1	51	0.0	-74.63	411.29	3.84	-70.79
CC[N@H+]1CCC1C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626840	1	51	0.0	-74.63	411.29	3.84	-70.79
CC(C)[N@@H+]1CCCC(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029626850	0	60	0.0	-68.05	452.23	5.87	-62.18
CC(C)[N@H+]1CCCC(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029626850	1	60	0.0	-73.97	458.50	5.69	-68.28
O=C(C[N@H+]1CCCC1CO)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626863	0	55	0.0	-74.44	434.53	1.35	-73.09
O=C(C[N@@H+]1CCCC1CO)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626863	1	55	0.0	-74.73	432.51	1.46	-73.27
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@@H+]2C1	REAL300029626885	0	58	0.0	-78.82	446.93	5.58	-73.24
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@H+]2C1	REAL300029626885	1	58	0.0	-72.75	446.92	5.63	-67.12
C[NH+]1CCC(C)(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029626891	0	57	0.0	-74.01	436.91	4.89	-69.12
C[NH+](C)CC1=CNC(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029626897	0	55	0.0	-81.62	446.04	4.08	-77.54
CC(C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300029626911	0	58	0.0	-76.56	445.08	1.66	-74.90
C=CCC(C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029626919	0	54	0.0	-72.00	423.33	4.29	-67.71
C[N@@H+]1CC(C)(C)CC1C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626929	0	57	0.0	-73.40	439.49	4.60	-68.80
C[N@H+]1CC(C)(C)CC1C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626929	1	57	0.0	-74.57	440.04	4.41	-70.16
C[NH+](C)CCCCCC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626933	0	59	0.0	-78.57	466.52	5.74	-72.83
O=C(C[NH+]1CC2CC2C1)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626941	0	52	0.0	-75.40	414.94	4.76	-70.64
CC1C[N@@H+]2CCN1C(C(=O)NCCCCC1CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029626967	0	57	0.0	-83.22	432.52	1.87	-81.35
CC1C[N@H+]2CCN1C(C(=O)NCCCCC1CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029626967	1	57	0.0	-82.18	432.68	1.87	-80.31
CCCC(C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029626968	0	56	0.0	-73.55	431.57	4.59	-68.96
C[NH+](C)C(C)(C)C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626972	0	53	0.0	-79.05	407.12	3.97	-75.08
C[N@@H+]1CCCCC1C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627010	0	54	0.0	-72.73	412.15	4.31	-68.42
C[N@H+]1CCCCC1C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627010	1	54	0.0	-73.12	412.25	4.30	-68.82
C[N@H+]1CC=C(CC(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029627043	0	55	0.0	-75.21	438.80	5.14	-70.07
C[N@@H+]1CC=C(CC(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029627043	1	55	0.0	-73.43	438.77	5.14	-68.29
O=C(CC1([NH+]2CCCC2)CC1)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627052	0	58	0.0	-72.88	444.76	5.55	-67.33
C[NH+](C)CC1=CC=C(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029627096	1	54	0.0	-84.13	443.09	4.61	-79.52
O=C(C=CC[NH+]1CCCC1)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627112	0	55	0.0	-79.77	441.96	5.23	-74.54
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[NH+](C2CC2)CC1	REAL300029627133	0	58	0.0	-78.54	449.04	5.76	-72.78
C[NH+](C)C1(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029627152	0	51	0.0	-79.73	402.10	4.51	-75.22
O=C(CC[NH+]1CCCC1)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627154	0	54	0.0	-76.93	427.93	4.61	-72.32
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+]2CCN1CC2	REAL300029627188	0	54	0.0	-82.21	415.91	1.35	-80.86
C[N@@H+]1CC2CC1(C(=O)NCCCCC1CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029627198	0	52	0.0	-78.60	411.56	4.09	-74.51
C[N@H+]1CC2CC1(C(=O)NCCCCC1CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029627198	1	52	0.0	-79.01	412.53	3.98	-75.03
O=C(C[N@@H+]1CC2CCC1C2)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627210	0	55	0.0	-73.27	426.23	5.01	-68.26
O=C(C[N@H+]1CC2CCC1C2)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627210	1	55	0.0	-73.35	426.00	4.97	-68.38
O=C(C=C1C[NH+]2CCC1CC2)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627251	0	56	0.0	-71.82	435.80	5.20	-66.62
O=C(C[N@@H+]1CC2C=CC1C2)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627261	1	53	0.0	-73.56	418.62	4.85	-68.71
O=C(C[N@H+]1CC2C=CC1C2)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627261	1	53	0.0	-73.41	419.20	4.87	-68.54
CC[NH+]1CCN(CC(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029627292	0	59	0.0	-75.44	456.35	3.07	-72.37
CC(C[NH+](C)C)C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627309	0	53	0.0	-70.31	417.86	4.16	-66.15
C[N@@H+]1CCCCC1CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627379	0	57	0.0	-69.17	431.25	4.97	-64.20
C[N@H+]1CCCCC1CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627379	1	57	0.0	-78.58	438.76	5.09	-73.49
CC1=C2C=C(C(=O)NCCCCC3CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029627395	1	52	0.0	-80.41	431.95	6.97	-73.44
CC(C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300029627396	0	54	0.0	-72.91	428.86	4.50	-68.41
CC1CC[N@@H+]1CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627399	1	51	0.0	-73.22	405.45	3.63	-69.59
CC1CC[N@H+]1CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627399	1	51	0.0	-74.42	411.02	3.89	-70.53
C[NH+](C)CC(O)CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627403	0	54	0.0	-81.37	432.26	1.84	-79.53
CC1C[N@H+](C)CC(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029627430	1	55	0.0	-78.57	431.08	3.92	-74.65
CC1C[N@@H+](C)CC(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029627430	1	55	0.0	-80.84	430.96	3.93	-76.91
O=C(CC[NH+]1CCC(O)CC1)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627439	0	58	0.0	-80.35	454.75	1.89	-78.46
CCC[N@@H+]1CCCCC1C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627441	0	60	0.0	-72.22	451.36	5.74	-66.48
CCC[N@H+]1CCCCC1C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627441	1	60	0.0	-71.32	460.88	5.85	-65.47
C[NH+](C)[C@H]1C[C@H](C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029627511	0	54	0.0	-76.55	429.19	4.53	-72.02
CC(CC[NH+](C)C)C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627519	0	56	0.0	-77.58	439.70	4.70	-72.88
C[N@H+](CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029627539	0	58	0.0	-72.73	450.52	2.11	-70.62
C[N@@H+](CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029627539	1	58	0.0	-73.28	450.42	2.19	-71.09
C#CC[N@H+]1CCCCC1C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627545	1	56	0.0	-71.91	446.84	5.69	-66.22
C#CC[N@@H+]1CCCCC1C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627545	1	56	0.0	-72.32	437.37	5.53	-66.79
C[NH+]1CCN(CC(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029627548	1	56	0.0	-77.02	439.00	2.41	-74.61
CC[NH+]1CCN(CC(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029627557	0	59	0.0	-75.44	456.35	3.07	-72.37
NC(=[NH2+])SCC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627581	0	45	0.0	-78.14	387.58	-0.24	-78.38
CC[N@@H+]1CCOCC1CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627616	0	58	0.0	-79.56	447.44	3.29	-76.27
C[NH+](C)C1CCC(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029627631	0	60	0.0	-81.29	458.42	5.73	-75.56
C[NH+](C)CCC1(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029627632	0	57	0.0	-78.51	455.40	5.35	-73.16
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029627634	0	60	0.0	-71.69	451.98	5.50	-66.19
C[N@@H+]1CC=CCC1CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627635	0	55	0.0	-79.41	430.76	4.95	-74.46
C[N@H+]1CC=CCC1CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627635	1	55	0.0	-79.41	430.76	4.95	-74.46
C[C@@H](OCC[NH+](C)C)C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627656	0	57	0.0	-74.03	455.32	4.56	-69.47
C[NH+]1C2CCC1CC(C(=O)NCCCCC1CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029627682	0	58	0.0	-75.38	422.60	5.35	-70.03
CC(C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300029627788	1	55	0.0	-76.24	435.04	4.65	-71.59
CCC1C[NH+](CC(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029627790	1	54	0.0	-76.28	432.32	4.67	-71.61
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1([NH+]2CCCC2)CCC1	REAL300029627792	0	58	0.0	-76.58	439.93	5.49	-71.09
C[N@H+]1CCC[C@H]1C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627801	1	51	0.0	-74.21	399.60	3.36	-70.85
O=C(CC[N@@H+]1CCC(F)C1)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627808	1	54	0.0	-81.58	433.73	4.57	-77.01
COC1C[N@@H+](C)C(C)(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029627816	1	58	0.0	-78.31	449.91	3.35	-74.96
O=C(CC[NH+]1CCCCCC1)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627824	0	60	0.0	-78.94	453.68	5.44	-73.50
O=C(C[NH+]1CCCCC1)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627826	0	54	0.0	-74.91	421.70	4.77	-70.14
CC1C(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029627836	0	54	0.0	-75.37	420.83	4.04	-71.33
CC1C(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029627836	1	54	0.0	-74.62	420.86	4.01	-70.61
C[N@@H+]1CCCCC1CCC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627838	0	60	0.0	-75.33	460.97	5.79	-69.54
C[N@H+]1CCCCC1CCC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627838	1	60	0.0	-75.19	460.63	5.80	-69.39
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+]2CCOCC12	REAL300029627866	0	56	0.0	-79.59	438.45	3.16	-76.43
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+]2CCOCC12	REAL300029627866	1	56	0.0	-73.38	434.74	3.23	-70.15
CC1=[NH+]C=C2C=CC(C(=O)NCCCCC3CN(C(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300029627871	0	52	0.0	-73.91	431.18	6.16	-67.75
C[N@@H+]1CCOCC1CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627885	1	55	0.0	-72.38	422.64	2.58	-69.80
C[N@H+]1CCOCC1CC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627885	1	55	0.0	-72.41	422.77	2.48	-69.93
CC1=C(C)[NH+]=C(CCC(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029627893	1	55	0.0	-71.75	449.89	4.10	-67.65
C[N@@H+]1CCCC1C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029628063	0	51	0.0	-69.87	400.70	3.49	-66.38
C[N@H+]1CCCC1C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029628063	1	51	0.0	-68.24	405.41	3.88	-64.36
C[N@@H+]1CCOC(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029628089	1	52	0.0	-74.79	407.31	3.14	-71.65
C[N@H+]1CCOC(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029628089	1	52	0.0	-75.40	409.74	3.09	-72.31
CC1=[NH+]C=CN1CCCC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029628249	1	55	0.0	-70.53	452.59	5.91	-64.62
O=C(CC[NH+]1CCOCC1)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029628254	1	55	0.0	-75.75	436.86	2.93	-72.82
O=C(NCCCCC1CN(C(=O)C23CCC[NH+]2CCC3)C1)C1=CC(=O)[N-]O1	REAL300029628279	0	55	0.0	-66.62	421.36	4.57	-62.05
O=C(NCCCCC1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1)C1=CC(=O)[N-]O1	REAL300029628288	1	49	0.0	-78.35	407.60	6.06	-72.29
C[NH+](C)C1CCCC(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029628342	0	60	0.0	-75.28	461.04	5.63	-69.65
C[N@@H+]1CCC(CC(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029628345	0	54	0.0	-74.42	428.33	4.57	-69.85
C[N@H+]1CCC(CC(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029628345	1	54	0.0	-74.93	427.93	4.60	-70.33
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029628357	0	53	0.0	-78.72	430.44	3.18	-75.54
CCC(C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029628362	0	53	0.0	-69.42	412.48	4.10	-65.32
C[NH+](C)CCCCC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029628424	0	56	0.0	-75.34	446.98	5.13	-70.21
CC(C)C(C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029628446	0	56	0.0	-69.74	426.31	4.70	-65.04
CCC[N@H+](C)CCC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029628448	0	56	0.0	-73.80	443.21	4.97	-68.83
CCC[N@@H+](C)CCC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029628448	1	56	0.0	-73.81	443.21	4.97	-68.84
CCC[N@H+](C)CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029628453	0	53	0.0	-70.49	420.85	4.40	-66.09
CCC[N@@H+](C)CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029628453	1	53	0.0	-70.61	420.82	4.33	-66.28
O=C(NCCCCC1CN(C(=O)C23CC[N@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300029628476	0	55	0.0	-73.76	418.49	3.92	-69.84
O=C(NCCCCC1CN(C(=O)C23CC[N@@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300029628476	1	55	0.0	-73.66	418.17	3.92	-69.74
CCCCCC[N@H+](C)CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029628508	0	62	0.0	-71.71	485.34	6.75	-64.96
CCCCCC[N@@H+](C)CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029628508	1	62	0.0	-71.73	485.34	6.76	-64.97
CC[NH+](CC)C(C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300029628512	0	62	0.0	-67.81	458.17	6.14	-61.67
CC1CC[NH+](CC(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029628544	0	57	0.0	-70.50	444.20	5.48	-65.02
C[NH+]1CCC(OCC(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029628570	0	58	0.0	-79.36	461.53	5.14	-74.22
O=C(NCCCCC1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029628612	0	58	0.0	-72.52	448.58	5.64	-66.88
O=C(NCCCCC1CN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029628612	1	58	0.0	-69.03	448.00	5.71	-63.32
C[NH+](C)CC1(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029628623	0	54	0.0	-71.40	432.75	4.69	-66.71
CC(C)[NH+]1CCC(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029628634	0	60	0.0	-74.11	457.92	5.62	-68.49
CC[N@H+](C)CCC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029628655	0	53	0.0	-73.11	421.71	4.22	-68.89
CC[N@@H+](C)CCC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029628655	1	53	0.0	-73.05	421.71	4.22	-68.83
CC(C)(C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029628681	0	60	0.0	-69.93	445.15	5.83	-64.10
O=C(NCCCCC1CN(C(=O)C2C[NH+]3CCC2CC3)C1)C1=CC(=O)[N-]O1	REAL300029628689	0	55	0.0	-77.52	421.46	4.70	-72.82
C[NH+]1CCC(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029628764	0	54	0.0	-76.77	423.61	4.43	-72.34
CC(C)[C@H](C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029628782	0	56	0.0	-69.75	426.30	4.70	-65.05
CC[NH+](CC)CC(F)C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029628868	0	56	0.0	-72.17	439.78	4.68	-67.49
CC(C)C[N@@H+]1CCC(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029628900	0	60	0.0	-71.70	465.12	5.85	-65.85
CC(C)C[N@H+]1CCC(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029628900	1	60	0.0	-72.76	465.50	5.87	-66.89
C[NH+](C)C1(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300029628904	0	54	0.0	-73.14	411.65	4.23	-68.91
CCC(C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029628935	0	59	0.0	-64.88	445.92	5.22	-59.66
CC1CCC[N@@H+]1CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029628955	0	54	0.0	-67.14	420.27	4.36	-62.78
CC1CCC[N@H+]1CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029628955	1	54	0.0	-67.61	426.47	4.68	-62.93
CC(C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300029629010	0	60	0.0	-66.96	451.72	5.39	-61.57
CC(C)[N@@H+]1CCCCC1C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029629012	0	60	0.0	-65.06	454.19	5.40	-59.66
CC(C)[N@H+]1CCCCC1C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029629012	1	60	0.0	-65.34	446.03	5.28	-60.06
CC(C)[N@@H+]1CCCC1C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029629033	0	57	0.0	-66.43	439.55	5.05	-61.38
CC(C)[N@H+]1CCCC1C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029629033	1	57	0.0	-66.34	437.67	5.00	-61.34
CC(C)[N@@H+]1CCCC1CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029629039	0	60	0.0	-63.82	450.84	5.53	-58.29
CC(C)[N@H+]1CCCC1CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029629039	1	60	0.0	-65.46	450.41	4.99	-60.47
CC(C)[C@@H](C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029629052	0	56	0.0	-68.36	426.05	4.49	-63.87
CC1CC[N@H+](CC(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029629072	0	54	0.0	-69.64	427.71	4.74	-64.90
CC1CC[N@@H+](CC(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029629072	1	54	0.0	-69.37	426.87	4.68	-64.69
CC1(C)CC[N@H+](CC(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029629076	0	57	0.0	-69.70	446.85	5.23	-64.47
CC1(C)CC[N@@H+](CC(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029629076	1	57	0.0	-69.75	447.10	5.25	-64.50
C[N@H+](CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029629077	0	59	0.0	-70.34	449.45	5.38	-64.96
C[N@@H+](CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029629077	1	59	0.0	-70.11	451.40	5.55	-64.56
CC[C@@H](C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029629085	0	53	0.0	-68.34	411.89	3.91	-64.43
CC1=[NH+]C=CN1CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029629275	1	49	0.0	-68.29	411.00	4.52	-63.77
CC(C[NH+]1CCOCC1)C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029629276	0	58	0.0	-76.41	453.84	3.59	-72.82
O=C(CCC[NH+]1CCCCC1)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029629292	0	60	0.0	-73.23	467.12	6.24	-66.99
C[NH+](C)CC1=CC(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300029629307	1	53	0.0	-80.82	438.69	4.06	-76.76
CC1=C(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300029629308	0	52	0.0	-74.77	433.84	6.73	-68.04
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029629342	1	55	0.0	-66.75	447.26	5.72	-61.03
O=C(NCCCCC1CN(C(=O)C2CCCC3CCC[N@@H+]32)C1)C1=CC(=O)[N-]O1	REAL300029629373	0	58	0.0	-64.69	448.38	5.75	-58.94
O=C(NCCCCC1CN(C(=O)C2CCCC3CCC[N@H+]32)C1)C1=CC(=O)[N-]O1	REAL300029629373	1	58	0.0	-66.16	433.42	5.14	-61.02
CC[N@@H+]1CCOC(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029629390	1	55	0.0	-81.01	434.33	3.98	-77.03
CC[N@H+]1CCOC(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029629390	1	55	0.0	-74.29	427.54	3.74	-70.55
O=C(NCCCCC1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300029629441	0	49	0.0	-74.03	407.41	5.98	-68.05
CC1=C[NH+]=CN1CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029629446	1	49	0.0	-70.85	411.37	5.34	-65.51
C[C@@H]1[C@H](C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029629460	0	54	0.0	-73.28	418.87	4.18	-69.10
C[C@@H]1[C@H](C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029629460	1	54	0.0	-74.71	424.60	4.22	-70.49
CC[C@@H]1[C@@H](C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029629464	0	57	0.0	-73.53	436.87	4.54	-68.99
CC[C@@H]1[C@@H](C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029629464	1	57	0.0	-72.77	441.32	4.91	-67.86
CC1CCC(C)[NH+]1CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029629475	0	57	0.0	-66.48	438.35	4.85	-61.63
O=C(CCC[NH+]1CCCC1)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029629481	0	57	0.0	-73.08	451.45	5.54	-67.54
C#CC[NH+]1CCC(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029629487	0	56	0.0	-78.93	449.07	5.57	-73.36
O=C(CC[NH+]1CCCCC1)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029629488	0	57	0.0	-72.38	445.62	5.44	-66.94
CC[N@@H+]1CCCCC1C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029629495	0	57	0.0	-67.14	428.14	4.75	-62.39
CC[N@H+]1CCCCC1C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029629495	1	57	0.0	-66.50	441.11	5.20	-61.30
C[NH+](C)C1(CC(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029629535	0	60	0.0	-74.15	445.48	5.44	-68.71
C[N@H+](CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029629676	0	54	0.0	-68.36	427.71	4.98	-63.38
C[N@@H+](CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029629676	1	54	0.0	-68.74	427.83	4.92	-63.82
CC(C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300029629698	0	60	0.0	-68.47	446.24	6.17	-62.30
O=C(CCCC[NH+]1CCCC1)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029629710	0	60	0.0	-73.95	472.94	6.32	-67.63
C[NH+]1CCC(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029629721	0	54	0.0	-76.77	423.61	4.43	-72.34
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029629762	0	51	0.0	-69.80	400.56	3.39	-66.41
C[N@H+]1CCC[C@@H]1C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029629762	1	51	0.0	-68.04	403.37	3.80	-64.24
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029629785	1	53	0.0	-68.00	427.36	4.62	-63.38
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029629785	1	53	0.0	-68.34	433.31	5.22	-63.12
C[N@@H+]1CCCC1CCC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029629791	0	57	0.0	-74.82	448.94	5.41	-69.41
C[N@H+]1CCCC1CCC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029629791	1	57	0.0	-74.75	445.33	5.27	-69.48
O=C(NCCCCC1CN(C(=O)C23CCC[NH+](CCC2)C3)C1)C1=CC(=O)[N-]O1	REAL300029629800	0	58	0.0	-72.99	431.56	4.76	-68.23
O=C(NCCCCC1CN(C(=O)C2CCC3CCCC[N@@H+]32)C1)C1=CC(=O)[N-]O1	REAL300029629803	0	58	0.0	-66.97	441.68	5.43	-61.54
O=C(NCCCCC1CN(C(=O)C2CCC3CCCC[N@H+]32)C1)C1=CC(=O)[N-]O1	REAL300029629803	1	58	0.0	-65.81	448.52	5.77	-60.04
CCC[N@@H+]1CCCC(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029629872	0	60	0.0	-71.62	460.72	5.71	-65.91
CCC[N@H+]1CCCC(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029629872	1	60	0.0	-71.54	462.76	5.79	-65.75
CC(C)[N@@H+]1CCOC(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029629887	0	58	0.0	-72.40	444.30	4.27	-68.13
CC(C)[N@H+]1CCOC(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029629887	1	58	0.0	-72.24	444.03	4.31	-67.93
C[N@@H+]1CCCCC1C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029629910	0	54	0.0	-68.49	409.95	4.13	-64.36
C[N@H+]1CCCCC1C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029629910	1	54	0.0	-67.89	423.22	4.49	-63.40
CC(C)C[N@@H+]1CCCC1C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029629933	0	60	0.0	-67.60	463.56	5.96	-61.64
CC(C)C[N@H+]1CCCC1C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029629933	1	60	0.0	-68.39	453.92	6.33	-62.06
O=C(C[NH+]1CCC(CO)CC1)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029629948	0	58	0.0	-73.25	455.03	2.17	-71.08
CC1C(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029629991	0	54	0.0	-71.19	425.79	4.45	-66.74
CC1C(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029629991	1	54	0.0	-73.00	421.10	4.01	-68.99
C[N@@H+]1CCCCC1CCC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029629993	0	60	0.0	-75.05	455.52	5.66	-69.39
C[N@H+]1CCCCC1CCC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029629993	1	60	0.0	-75.05	455.53	5.65	-69.40
NC1=[NH+]C2=C(C=C1C(=O)N1CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C1)CCC2	REAL300029630024	1	54	0.0	-64.02	433.40	3.78	-60.24
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029630082	0	57	0.0	-67.84	443.00	4.71	-63.13
CC(C)(C)[N@H+]1CCC1C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029630082	1	57	0.0	-67.67	421.90	3.84	-63.83
C[C@@H](C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029630100	0	50	0.0	-69.45	399.01	3.36	-66.09
C=CCC(C)(C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029630117	0	57	0.0	-75.25	430.84	5.18	-70.07
O=C(CC[NH+]1CCCC1)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029630139	0	54	0.0	-72.55	429.95	4.73	-67.82
C[N@H+](CCO)CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029630149	1	51	0.0	-71.19	409.70	0.43	-70.76
C[N@@H+](CCO)CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029630149	1	51	0.0	-70.96	409.49	0.44	-70.52
O=C(NCCCCC1CN(C(=O)C2C[N@@H+]3CCN2CCC3)C1)C1=CC(=O)[N-]O1	REAL300029630185	0	57	0.0	-77.45	429.54	2.19	-75.26
O=C(NCCCCC1CN(C(=O)C2C[N@H+]3CCN2CCC3)C1)C1=CC(=O)[N-]O1	REAL300029630185	1	57	0.0	-77.82	429.72	2.22	-75.60
CC(C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300029630206	1	55	0.0	-71.18	434.78	4.72	-66.46
C[N@H+]1CC=C(CC(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029630238	0	55	0.0	-72.44	440.67	5.24	-67.20
C[N@@H+]1CC=C(CC(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029630238	1	55	0.0	-70.89	440.67	5.24	-65.65
C[S+](C)CCC(O)C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029630253	0	53	0.0	-78.12	444.09	2.51	-75.61
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029630271	0	55	0.0	-76.00	421.85	0.58	-75.42
C[N@H+]1CC(O)CC1(C)C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029630271	1	55	0.0	-68.28	426.91	0.56	-67.72
CN1CC[N@H+](C)CC(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029630281	0	59	0.0	-69.67	451.50	2.83	-66.84
CN1CC[N@@H+](C)CC(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029630281	1	59	0.0	-69.74	449.96	2.48	-67.26
CC(C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300029630282	0	58	0.0	-67.95	452.61	1.78	-66.17
CC(C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300029630282	1	58	0.0	-67.79	452.51	1.89	-65.90
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029630309	0	54	0.0	-69.96	442.11	3.71	-66.25
C[N@@H+]1CCCC(O)(CC(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029630315	0	58	0.0	-71.11	449.06	3.45	-67.66
C[N@H+]1CCCC(O)(CC(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029630315	1	58	0.0	-71.94	439.27	3.21	-68.73
CC1C[NH+](CC(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029630320	1	51	0.0	-70.77	412.91	4.09	-66.68
CC[N@@H+]1CCCC(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029630327	0	57	0.0	-73.33	434.89	5.01	-68.32
CC[N@H+]1CCCC(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029630327	1	57	0.0	-66.47	434.70	5.20	-61.27
NC1=[NH+]C=CC=C1CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029630333	0	50	0.0	-68.50	415.86	2.81	-65.69
O=C(NCCCCC1CN(C(=O)C2CCC[N@@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300029630345	0	55	0.0	-66.10	436.30	5.41	-60.69
O=C(NCCCCC1CN(C(=O)C2CCC[N@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300029630345	1	55	0.0	-68.37	431.23	4.80	-63.57
O=C(C=CC[NH+]1CCCC1)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029630387	0	55	0.0	-75.66	443.68	5.38	-70.28
O=C(NCCCCC1CN(C(=O)C2CC[NH+](C3CC3)CC2)C1)C1=CC(=O)[N-]O1	REAL300029630408	0	58	0.0	-74.08	448.41	5.64	-68.44
CC[N@H+](C)CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029630451	0	50	0.0	-70.15	399.35	3.67	-66.48
O=C(CN1CC2C=CC1C2)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029630502	0	53	0.0	-68.56	421.16	4.90	-63.66
O=C(C[N@@H+]1CC2C=CC1C2)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029630502	1	53	0.0	-67.15	420.59	4.86	-62.29
O=C(C[N@H+]1CC2C=CC1C2)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029630502	1	53	0.0	-67.15	420.59	4.86	-62.29
O=C(NCCCCC1CN(C(=O)C23CCC[N@@H+]2CCCC3)C1)C1=CC(=O)[N-]O1	REAL300029630621	0	58	0.0	-66.61	434.06	5.18	-61.43
O=C(NCCCCC1CN(C(=O)C23CCC[N@H+]2CCCC3)C1)C1=CC(=O)[N-]O1	REAL300029630621	1	58	0.0	-66.61	434.06	5.18	-61.43
O=C(NCCCCC1CN(C(=O)C23CCC[N@@H+]2CC=CC3)C1)C1=CC(=O)[N-]O1	REAL300029630628	0	56	0.0	-66.33	427.41	4.87	-61.46
O=C(NCCCCC1CN(C(=O)C23CCC[N@H+]2CC=CC3)C1)C1=CC(=O)[N-]O1	REAL300029630628	1	56	0.0	-66.33	427.41	4.87	-61.46
CC(OCC[NH+](C)C)C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029630638	0	57	0.0	-71.37	452.68	4.60	-66.77
C[NH+](C)CCOCCC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029630647	0	57	0.0	-72.94	458.44	3.79	-69.15
COCCN(C)CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029630649	0	54	0.0	-70.80	431.73	2.83	-67.97
COCC[N@H+](C)CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029630649	1	54	0.0	-71.30	431.95	2.83	-68.47
COCC[N@@H+](C)CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029630649	1	54	0.0	-71.30	431.95	2.83	-68.47
CC(CCC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029630654	0	56	0.0	-75.38	434.97	4.74	-70.64
CC[N@H+](CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029630679	0	54	0.0	-67.62	427.67	5.00	-62.62
CC1C[N@@H+]2CCN1C(C(=O)N1CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029630694	0	57	0.0	-71.46	424.63	2.93	-68.53
C[N@@H+]1CC2CC1(C(=O)N1CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029630717	0	52	0.0	-73.52	406.70	4.10	-69.42
CC1=NC(N)=CC=C1C=CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029630726	0	54	0.0	-72.16	446.33	3.64	-68.52
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029630726	1	54	0.0	-72.16	446.33	3.64	-68.52
O=C(C[N@@H+]1CC2CCC1C2)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029630732	0	55	0.0	-67.84	425.55	4.78	-63.06
O=C(C[N@H+]1CC2CCC1C2)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029630732	1	55	0.0	-67.84	425.55	4.78	-63.06
CC(C[NH+](C)C)C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029630752	0	53	0.0	-74.07	421.51	4.15	-69.92
CC[N@@H+]1CCC1C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029630800	0	51	0.0	-70.17	413.17	4.03	-66.14
CC(C)[N@@H+]1CCCC(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029630812	0	60	0.0	-65.77	451.21	5.72	-60.05
CC(C)[N@H+]1CCCC(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029630812	1	60	0.0	-65.77	451.21	5.72	-60.05
CCC(C)(C)[NH2+]C(C)C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029630827	0	59	0.0	-69.33	446.25	3.62	-65.71
C#CC[N@H+]1CCCCC1C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029630868	1	56	0.0	-67.70	436.84	5.37	-62.33
C#CC[N@@H+]1CCCCC1C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029630868	1	56	0.0	-67.23	448.26	5.67	-61.56
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029630869	1	53	0.0	-65.84	429.28	3.65	-62.19
NC1=CC=[NH+]C=C1C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029630870	0	47	0.0	-72.96	387.60	0.89	-72.07
CCCC(C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029630879	0	56	0.0	-69.99	434.46	4.84	-65.15
C[NH+](C)C(C)(C)C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029630886	0	53	0.0	-73.50	402.93	4.01	-69.49
CC(CC[NH+](C)C)C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029630904	0	56	0.0	-74.16	439.28	4.56	-69.60
O=C(NCCCCC1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1)C1=CC(=O)[N-]O1	REAL300029630971	0	56	0.0	-66.39	435.28	5.12	-61.27
O=C(NCCCCC1CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1)C1=CC(=O)[N-]O1	REAL300029630971	1	56	0.0	-71.26	433.32	5.90	-65.36
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029631005	0	57	0.0	-68.97	440.88	4.66	-64.31
C[N@H+]1CC(C)(C)CC1C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029631005	1	57	0.0	-67.99	444.59	5.10	-62.89
C[NH+](C)CCCCCC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029631010	0	59	0.0	-74.93	468.48	5.93	-69.00
O=C(CC[NH+]1CCC(O)CC1)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029631014	0	58	0.0	-75.88	456.71	2.09	-73.79
CCC[N@@H+]1CCCCC1C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029631018	0	60	0.0	-67.40	449.23	5.50	-61.90
CCC[N@H+]1CCCCC1C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029631018	1	60	0.0	-67.54	450.82	5.56	-61.98
C[NH+]1CCN(CC(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029631027	1	56	0.0	-73.11	440.55	2.48	-70.63
CC1C[N@H+](C)CC(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029631120	1	55	0.0	-83.48	437.89	4.00	-79.48
CC1C[N@@H+](C)CC(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029631120	1	55	0.0	-83.83	428.29	3.61	-80.22
CCC1CCC[N@H+](CC(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029631152	0	60	0.0	-69.18	455.02	5.58	-63.60
CCC1CCC[N@@H+](CC(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029631152	1	60	0.0	-70.36	455.50	6.08	-64.28
C[NH+](C)CC1=CC=C(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029631160	0	55	0.0	-83.56	443.76	4.42	-79.14
O=C(C[NH+]1CC2CC2C1)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029631175	0	52	0.0	-70.22	417.34	4.87	-65.35
O=C(CC1([NH+]2CCCC2)CC1)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029631188	0	58	0.0	-68.52	446.65	5.76	-62.76
C[N@@H+]1CCCCC1C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029631225	0	54	0.0	-68.49	409.95	4.13	-64.36
C[N@H+]1CCCCC1C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029631225	1	54	0.0	-67.89	423.22	4.49	-63.40
C[N@@H+]1CCC(=CC(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029631340	0	52	0.0	-76.39	420.28	4.44	-71.95
C[N@H+]1CCC(=CC(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029631340	1	52	0.0	-76.35	420.20	4.55	-71.80
O=C(CNC1=CC=[NH+]C=C1)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029631345	0	50	0.0	-71.98	417.33	2.27	-69.71
CC[NH+]1CCN(CC(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029631399	0	59	0.0	-72.40	458.20	3.04	-69.36
O=C(C=C1C[NH+]2CCC1CC2)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029631402	0	56	0.0	-69.40	437.76	5.38	-64.02
C[NH+](C)C1(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029631437	0	57	0.0	-73.29	423.67	4.54	-68.75
C[N@H+](CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029631448	0	58	0.0	-66.54	452.44	2.30	-64.24
C[N@@H+](CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029631448	1	58	0.0	-69.29	452.58	2.13	-67.16
CCC1C[NH+](CC(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029631452	0	54	0.0	-71.62	434.28	4.84	-66.78
O=C(NCCCCC1CN(C(=O)C2([NH+]3CCCC3)CCC2)C1)C1=CC(=O)[N-]O1	REAL300029631456	0	58	0.0	-71.66	434.03	5.28	-66.38
C[N@@H+]1CCC[C@H]1C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029631470	0	51	0.0	-68.29	404.36	3.84	-64.45
C[N@H+]1CCC[C@H]1C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029631470	1	51	0.0	-69.87	400.63	3.40	-66.47
CC[N@@H+]1CCOCC1CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029631498	0	58	0.0	-73.36	444.96	3.26	-70.10
NC1=NC2=CC(C(=O)N3CC(CCCCNC(=O)C4=CC(=O)[N-]O4)C3)=CC=C2N1	REAL300029631579	0	51	0.0	-74.71	421.63	3.72	-70.99
NC1=[NH+]C2=CC(C(=O)N3CC(CCCCNC(=O)C4=CC(=O)[N-]O4)C3)=CC=C2N1	REAL300029631579	1	51	0.0	-74.71	421.63	3.72	-70.99
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029631613	0	54	0.0	-73.35	431.17	4.71	-68.64
C[NH+](C)C1CCC(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029631627	0	60	0.0	-70.03	451.28	5.45	-64.58
C[NH+](C)CCC1(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029631628	0	57	0.0	-76.31	455.21	5.38	-70.93
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029631630	0	60	0.0	-70.34	451.54	5.39	-64.95
C[N@@H+]1CC=CCC1CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029631631	0	55	0.0	-74.57	432.82	4.96	-69.61
C[N@H+]1CC=CCC1CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029631631	1	55	0.0	-74.57	432.82	4.96	-69.61
CC1=CC(C=CC(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)=CN=C1N	REAL300029631679	0	54	0.0	-74.64	446.53	3.94	-70.70
CC1=CC(C=CC(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)=C[NH+]=C1N	REAL300029631679	1	54	0.0	-74.64	446.53	3.94	-70.70
C[NH+](C)CCOCC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029631691	0	54	0.0	-72.85	437.48	4.11	-68.74
CCCCC[N@H+](C)CCC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029631697	0	62	0.0	-74.77	486.21	6.53	-68.24
CCCCC[N@@H+](C)CCC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029631697	1	62	0.0	-74.77	486.21	6.53	-68.24
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029631708	0	58	0.0	-74.53	459.97	4.86	-69.67
[NH2+]=C1SC=CN1CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029631732	0	47	0.0	-67.54	408.67	3.17	-64.37
C[C@@H](OCC[NH+](C)C)C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029631801	0	57	0.0	-71.50	452.82	4.53	-66.97
O=C(CC[NH+]1CCCCCC1)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029631839	0	60	0.0	-73.32	456.06	5.92	-67.40
O=C(C[NH+]1CCCCC1)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029631843	0	54	0.0	-69.70	423.35	4.87	-64.83
C[N@@H+]1CCCC(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029631845	0	54	0.0	-65.83	417.33	4.58	-61.25
C[N@H+]1CCCC(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029631845	1	54	0.0	-72.75	421.59	4.32	-68.43
O=C(C[NH+]1CCC(CO)CC1)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029631846	0	58	0.0	-73.25	455.03	2.17	-71.08
O=C(C[NH+]1CCCCCC1)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029631847	0	57	0.0	-69.54	432.69	5.05	-64.49
CN1C=C[N+](CC(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029631852	0	49	0.0	-69.15	412.85	6.51	-62.64
C[NH+](C)CC1=CC=C(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029631868	1	54	0.0	-80.17	444.07	4.75	-75.42
O=C(C[NH+]1CCC(O)CC1)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029631884	1	55	0.0	-74.44	434.45	1.52	-72.92
C[N@H+](CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029631889	0	51	0.0	-67.66	410.90	4.40	-63.26
C[N@@H+](CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029631889	1	51	0.0	-68.11	411.04	4.40	-63.71
CC(C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300029631891	1	59	0.0	-74.76	458.98	2.85	-71.91
O=C(CC[N@H+]1CCC(F)C1)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029631893	0	54	0.0	-77.59	435.96	4.72	-72.87
O=C(CC[N@@H+]1CCC(F)C1)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029631893	1	54	0.0	-77.63	435.98	4.70	-72.93
COC1C[N@H+](C)C(C)(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029631903	0	58	0.0	-69.77	440.55	2.73	-67.04
COC1C[N@@H+](C)C(C)(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029631903	1	58	0.0	-73.89	444.34	3.13	-70.76
CC(CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029631920	0	56	0.0	-74.32	438.63	5.02	-69.30
O=C(NCCCCC1CN(C(=O)C2CC[N@@H+]3CCOCC23)C1)C1=CC(=O)[N-]O1	REAL300029631935	0	56	0.0	-75.80	439.95	3.14	-72.66
O=C(NCCCCC1CN(C(=O)C2CC[N@H+]3CCOCC23)C1)C1=CC(=O)[N-]O1	REAL300029631935	1	56	0.0	-69.33	436.15	3.18	-66.15
CC1=[NH+]C=C2C=CC(C(=O)N3CC(CCCCNC(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300029631940	0	52	0.0	-70.31	428.68	5.83	-64.48
C[N@@H+]1CCOCC1CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029631954	1	55	0.0	-68.10	424.69	2.59	-65.51
C[N@H+]1CCOCC1CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029631954	1	55	0.0	-77.50	432.20	2.74	-74.76
CC[NH+]1CCN(CC(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029631962	0	59	0.0	-72.40	458.20	3.04	-69.36
CC1=CC(N)=[NH+]C=C1C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029632014	1	50	0.0	-73.09	409.05	2.25	-70.84
NC1=CC=C(CCC(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300029632017	0	53	0.0	-71.41	440.63	3.50	-67.91
CC1(O)CC[N@H+](CC(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029632056	0	55	0.0	-69.44	437.54	1.40	-68.04
CC1(O)CC[N@@H+](CC(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029632056	1	55	0.0	-69.63	437.39	1.40	-68.23
C[NH+]1CC(CC(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029632090	0	51	0.0	-73.23	412.90	3.83	-69.40
O=C(NCCCCC1CN(C(=O)C2CC[N@@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300029632095	0	58	0.0	-69.00	446.77	5.43	-63.57
O=C(NCCCCC1CN(C(=O)C2CC[N@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300029632095	1	58	0.0	-68.78	446.43	5.41	-63.37
C[NH+](C)CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029632103	0	47	0.0	-71.11	381.62	2.99	-68.12
C[N@H+](CCO)CCC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029632131	0	54	0.0	-72.90	432.06	1.00	-71.90
C[N@@H+](CCO)CCC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029632131	1	54	0.0	-72.58	432.05	0.99	-71.59
C[C@@H](C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029632132	0	50	0.0	-69.45	399.01	3.36	-66.09
C[N@@H+]1CCCCC1CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029632152	0	57	0.0	-64.78	433.29	5.06	-59.72
C[N@H+]1CCCCC1CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029632152	1	57	0.0	-73.97	440.80	5.10	-68.87
CC1=C2C=C(C(=O)N3CC(CCCCNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029632172	1	52	0.0	-76.51	429.62	6.56	-69.95
CC(C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300029632173	0	54	0.0	-68.43	427.96	4.46	-63.97
CC1CC[N@@H+]1CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029632177	0	51	0.0	-68.70	407.26	3.81	-64.89
CC1CC[N@H+]1CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029632177	1	51	0.0	-69.35	412.85	4.03	-65.32
C[NH+](C)CC=CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029632190	0	51	0.0	-76.76	417.33	4.18	-72.58
CC1(C)C[NH+](CC(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029632203	1	54	0.0	-70.79	432.12	4.62	-66.17
CC1=C(C)[NH+]=C(CCC(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029632221	1	55	0.0	-67.33	451.87	4.29	-63.04
CC1=C2C=C(C(=O)N3CC(CCCCNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029632232	1	52	0.0	-76.51	429.62	6.56	-69.95
C[NH+](C)CCSCC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029632241	0	54	0.0	-78.20	448.51	4.93	-73.27
O=C(C[N@H+]1CCCC1CO)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029632266	0	55	0.0	-67.60	427.34	1.54	-66.06
O=C(C[N@@H+]1CCCC1CO)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029632266	1	55	0.0	-69.67	431.20	0.96	-68.71
CC[NH+](CC)CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029632270	0	53	0.0	-68.78	417.72	4.34	-64.44
C[N@H+](CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029632280	0	55	0.0	-75.46	440.96	5.24	-70.22
C[N@@H+](CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029632280	1	55	0.0	-76.10	440.95	5.22	-70.88
O=C(C[NH+]1CCC1)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029632282	1	48	0.0	-70.90	391.91	3.46	-67.44
CC[NH+](CC)CCC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029632328	0	56	0.0	-72.07	439.56	4.92	-67.15
C[NH+](C)CC1=CNC(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029632390	0	55	0.0	-77.84	443.59	4.26	-73.58
CC(C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300029632407	0	58	0.0	-70.46	446.59	1.64	-68.82
O=C(NCCCCC1CN(C(=O)C2CC3COCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029632413	0	56	0.0	-71.21	436.81	3.20	-68.01
O=C(NCCCCC1CN(C(=O)C2CC3COCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029632413	1	56	0.0	-71.14	437.12	3.19	-67.95
CC(C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029632427	0	51	0.0	-69.43	403.56	3.65	-65.78
CCC(CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029632433	0	59	0.0	-77.34	456.53	5.54	-71.80
NC1=CC=C(C=CC(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300029632440	0	51	0.0	-75.61	428.72	3.19	-72.42
C[NH+](C)CC(C)(C)C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029632441	0	56	0.0	-72.29	425.17	4.26	-68.03
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029632499	0	54	0.0	-68.70	411.93	4.11	-64.59
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029632499	1	54	0.0	-67.65	422.99	4.49	-63.16
CC1CN2CC[N@@H+]1CC2C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029632513	0	57	0.0	-77.47	431.48	1.67	-75.80
CC1CN2CC[N@H+]1CC2C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029632513	1	57	0.0	-75.97	431.27	1.71	-74.26
C[NH+](C)CC(O)CC(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029632534	0	54	0.0	-77.29	434.10	2.05	-75.24
C[NH+]1C2CCC1CC(C(=O)N1CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029632537	0	58	0.0	-70.37	418.77	5.14	-65.23
C=CCC(C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029632569	0	54	0.0	-69.58	426.96	4.61	-64.97
O=C(NCCCCC1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029632577	0	58	0.0	-72.52	448.58	5.64	-66.88
O=C(NCCCCC1CN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029632577	1	58	0.0	-69.03	448.00	5.71	-63.32
C[NH+]1CCC(C)(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029632588	0	57	0.0	-72.53	432.46	4.52	-68.01
C[NH+]1CCC(O)(CC(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029632590	0	58	0.0	-74.60	452.09	3.35	-71.25
CC1=C2C=C(C(=O)NCCCCC3CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029632666	1	52	0.0	-80.41	431.95	6.97	-73.44
C[NH+](C)CCSCC(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029632675	0	54	0.0	-82.44	446.55	4.75	-77.69
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2COCC[N@@H+]2C1	REAL300029632683	0	56	0.0	-75.38	438.02	3.26	-72.12
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2COCC[N@H+]2C1	REAL300029632683	1	56	0.0	-74.85	437.98	3.25	-71.60
C[N@@H+]1CCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300029632846	0	52	0.0	-70.07	390.37	4.24	-65.83
C[N@H+]1CCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300029632846	1	52	0.0	-73.00	384.37	3.73	-69.27
C[N@@H+]1CCOC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)C1	REAL300029632870	1	53	0.0	-80.84	402.18	3.74	-77.10
C[N@H+]1CCOC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)C1	REAL300029632870	1	53	0.0	-75.21	394.57	3.49	-71.72
CC(C)[N@@H+]1CCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300029633022	0	58	0.0	-67.01	426.50	5.50	-61.51
CC(C)[N@H+]1CCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300029633022	1	58	0.0	-68.99	406.46	5.05	-63.94
CC1=[NH+]C=CN1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300029633051	1	50	0.0	-69.19	394.13	4.93	-64.26
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2)C1C[NH+]2CCC1CC2	REAL300029633077	0	56	0.0	-76.85	405.89	5.10	-71.75
C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)CC[N@@H+]1C	REAL300029633107	0	55	0.0	-73.13	398.96	4.23	-68.90
C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)CC[N@H+]1C	REAL300029633107	1	55	0.0	-73.50	407.26	4.55	-68.95
CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)CC[N@@H+]1C	REAL300029633109	0	58	0.0	-72.33	421.78	4.99	-67.34
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CN(C(=O)C1C[NH+]2CCC1CC2)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029642571	0	55	0.0	-82.36	396.07	4.71	-77.65
CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029642635	0	54	0.0	-71.14	391.61	4.27	-66.87
CC[NH+](CC)CC(F)C(=O)N(C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029642717	0	56	0.0	-67.94	413.94	4.76	-63.18
CC(C)C[N@@H+]1CCC(C(=O)N(C)[C@H]2CC[C@@H](NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029642741	0	60	0.0	-66.88	442.80	6.18	-60.70
CC(C)C[N@H+]1CCC(C(=O)N(C)[C@H]2CC[C@@H](NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029642741	1	60	0.0	-70.59	434.07	5.65	-64.94
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CC1CCC[N@@H+]1CC(=O)N(C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029642782	0	54	0.0	-63.78	397.76	4.61	-59.17
CC1CCC[N@H+]1CC(=O)N(C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029642782	1	54	0.0	-66.58	390.47	4.20	-62.38
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CN(C(=O)CC1([NH+]2CCCC2)CC1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029644702	0	58	0.0	-65.77	417.90	5.65	-60.12
CN(C(=O)C1CCCC[N@@H+]1C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029644733	0	54	0.0	-62.92	397.80	4.75	-58.17
CN(C(=O)C=C1CC[N@H+](C)C1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029644825	0	52	0.0	-72.37	396.16	4.85	-67.52
CN(C(=O)C=C1CC[N@@H+](C)C1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029644825	1	52	0.0	-72.37	396.16	4.85	-67.52
CN(C(=O)CNC1=CC=[NH+]C=C1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029644830	0	50	0.0	-67.77	386.89	2.11	-65.66
CC[NH+]1CCN(CC(=O)N(C)[C@H]2CC[C@@H](NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029644876	0	59	0.0	-68.99	427.58	2.96	-66.03
CN(C(=O)C=C1C[NH+]2CCC1CC2)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029644877	0	56	0.0	-66.48	414.67	5.69	-60.79
CN(C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029644914	0	58	0.0	-67.74	422.59	2.22	-65.52
CN(C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029644914	1	58	0.0	-67.20	422.82	2.05	-65.15
CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029644930	0	51	0.0	-71.43	370.21	3.41	-68.02
CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029644930	1	51	0.0	-66.60	376.56	3.75	-62.85
CC[N@@H+]1CCOCC1CC(=O)N(C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029644955	0	58	0.0	-70.74	414.90	3.22	-67.52
CN(C(=O)C1=CC=C2NC(N)=NC2=C1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645022	0	51	0.0	-71.03	393.76	3.78	-67.25
CN(C(=O)C1=CC=C2NC(N)=[NH+]C2=C1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645022	1	51	0.0	-71.03	393.76	3.78	-67.25
CN(C(=O)[C@H]1C[C@H]([NH+](C)C)C1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645051	0	54	0.0	-70.02	407.58	4.92	-65.10
CN(C(=O)C1CCC([NH+](C)C)CC1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645064	0	60	0.0	-63.42	415.91	5.18	-58.24
CN(C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645066	0	60	0.0	-71.84	426.46	5.65	-66.19
CN(C(=O)CC1CC=CC[N@@H+]1C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645067	0	55	0.0	-62.11	398.05	4.86	-57.25
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CC1=CC(C=CC(=O)N(C)[C@H]2CC[C@@H](NC(=O)C3=CC(=O)[N-]O3)CC2)=CN=C1N	REAL300029645112	0	54	0.0	-72.94	415.61	3.82	-69.12
CC1=CC(C=CC(=O)N(C)[C@H]2CC[C@@H](NC(=O)C3=CC(=O)[N-]O3)CC2)=C[NH+]=C1N	REAL300029645112	1	54	0.0	-72.94	415.61	3.82	-69.12
CN(C(=O)COCC[NH+](C)C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645123	0	54	0.0	-68.21	406.67	3.84	-64.37
CCCCC[N@H+](C)CCC(=O)N(C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645129	0	62	0.0	-70.83	463.69	6.81	-64.02
CCCCC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645129	1	62	0.0	-70.83	463.69	6.81	-64.02
CN(C(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645139	0	58	0.0	-69.86	435.15	5.08	-64.78
CN(C(=O)CN1C=CSC1=[NH2+])[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645156	0	47	0.0	-65.29	378.88	3.03	-62.26
C[C@@H](OCC[NH+](C)C)C(=O)N(C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645214	0	57	0.0	-68.11	421.78	4.35	-63.76
CN(C(=O)CC[NH+]1CCCCCC1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645244	0	60	0.0	-70.12	433.10	5.91	-64.21
CN(C(=O)C[NH+]1CCCCC1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645248	0	54	0.0	-66.50	400.83	5.12	-61.38
CN(C(=O)C1CCC[N@H+](C)C1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645250	0	54	0.0	-77.01	401.35	4.64	-72.37
CN(C(=O)C1CCC[N@@H+](C)C1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645250	1	54	0.0	-69.28	390.63	4.19	-65.09
CN(C(=O)C[NH+]1CCC(CO)CC1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645251	0	58	0.0	-70.11	432.51	2.41	-67.70
CN(C(=O)C[NH+]1CCCCCC1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645252	0	57	0.0	-66.64	410.17	5.28	-61.36
CN(C(=O)C[N+]1=CN(C)C=C1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645257	0	49	0.0	-66.84	383.04	6.36	-60.48
CN(C(=O)C1=CC=C(C[NH+](C)C)O1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645270	1	54	0.0	-77.03	413.24	4.78	-72.25
CN(C(=O)C[NH+]1CCC(O)CC1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645283	1	55	0.0	-72.52	404.63	1.35	-71.17
CN(C(=O)C[N@@H+](C)C1CC1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645288	1	51	0.0	-66.53	380.46	4.23	-62.30
CC(C(=O)N(C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1)N1CC[NH+](C)CC1	REAL300029645290	1	59	0.0	-67.46	417.61	2.38	-65.08
CN(C(=O)CC[N@H+]1CCC(F)C1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645292	1	54	0.0	-76.73	406.00	4.69	-72.04
CC(CC(=O)N(C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300029645316	0	56	0.0	-71.02	408.52	4.88	-66.14
CN(C(=O)C1CC[N@@H+]2CCOCC12)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645331	0	56	0.0	-69.41	399.17	2.78	-66.63
CN(C(=O)C1CC[N@H+]2CCOCC12)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645331	1	56	0.0	-75.63	407.41	3.04	-72.59
CC1=[NH+]C=C2C=CC(C(=O)N(C)[C@H]3CC[C@@H](NC(=O)C4=CC(=O)[N-]O4)CC3)=CN21	REAL300029645336	0	52	0.0	-65.50	406.54	6.16	-59.34
CN(C(=O)CC1COCCN1C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645350	0	55	0.0	-65.62	402.21	2.96	-62.66
CN(C(=O)CC1COCC[N@@H+]1C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645350	1	55	0.0	-67.24	394.94	2.56	-64.68
CN(C(=O)CC1COCC[N@H+]1C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645350	1	55	0.0	-65.62	402.21	2.96	-62.66
CC[NH+]1CCN(CC(=O)N(C)[C@H]2CC[C@@H](NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029645356	0	59	0.0	-68.99	427.58	2.96	-66.03
CC1=CC(N)=[NH+]C=C1C(=O)N(C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645396	1	50	0.0	-68.80	384.68	2.13	-66.67
CN(C(=O)CCC1=CC=C(N)[NH+]=C1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645399	0	53	0.0	-67.67	410.83	3.39	-64.28
CN(C(=O)C[N@H+]1CCC(C)(O)C1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645431	1	55	0.0	-66.31	414.96	1.64	-64.67
CN(C(=O)CC1C[NH+](C)C1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645463	0	51	0.0	-68.91	390.54	4.10	-64.81
CN(C(=O)C1CC[N@@H+]1C1CCCC1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645468	0	58	0.0	-67.74	415.04	5.24	-62.50
CN(C(=O)C1CC[N@H+]1C1CCCC1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645468	1	58	0.0	-65.06	424.22	5.76	-59.30
CN(C(=O)C[NH+](C)C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645476	0	47	0.0	-67.85	359.09	3.25	-64.60
CN(C(=O)CC[N@H+](C)CCO)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645502	0	54	0.0	-70.32	402.26	0.90	-69.42
CN(C(=O)CC[N@@H+](C)CCO)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645502	1	54	0.0	-68.69	409.48	1.30	-67.39
C[C@@H](C(=O)N(C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029645503	0	50	0.0	-66.11	374.08	3.57	-62.54
CN(C(=O)CC1CCCC[N@@H+]1C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645519	0	57	0.0	-62.54	410.83	5.34	-57.20
CN(C(=O)CC1CCCC[N@H+]1C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645519	1	57	0.0	-62.72	403.56	4.94	-57.78
CC1=C2C=C(C(=O)N(C)[C@H]3CC[C@@H](NC(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300029645536	1	52	0.0	-68.89	409.40	6.82	-62.07
CC(C(=O)N(C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CC(C)C1	REAL300029645537	0	54	0.0	-68.88	397.95	4.27	-64.61
CC1CCN1CC(=O)N(C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645540	0	51	0.0	-65.06	384.81	4.04	-61.02
CC1CC[N@@H+]1CC(=O)N(C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645540	1	51	0.0	-65.93	390.37	4.36	-61.57
CC1CC[N@H+]1CC(=O)N(C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645540	1	51	0.0	-65.06	384.81	4.04	-61.02
CN(C(=O)C=CC[NH+](C)C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645550	0	51	0.0	-73.33	387.04	4.05	-69.28
CN(C(=O)C[NH+]1CC(C)(C)C1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645562	1	54	0.0	-70.01	401.83	4.45	-65.56
CC1=C(C)[NH+]=C(CCC(=O)N(C)[C@H]2CC[C@@H](NC(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300029645579	1	55	0.0	-65.33	422.05	4.17	-61.16
CC1=C2C=C(C(=O)N(C)[C@H]3CC[C@@H](NC(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300029645589	1	52	0.0	-68.89	409.40	6.82	-62.07
CN(C(=O)CSCC[NH+](C)C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645597	0	54	0.0	-73.40	425.98	5.24	-68.16
CN(C(=O)C[N@H+]1CCCC1CO)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645620	1	55	0.0	-67.57	397.37	1.40	-66.17
CC[NH+](CC)CC(=O)N(C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645624	0	53	0.0	-68.08	382.73	3.91	-64.17
CN(C(=O)C[N@@H+](C)C1CCSC1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645634	1	55	0.0	-74.13	411.13	5.09	-69.04
CN(C(=O)C[NH+]1CCC1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645636	1	48	0.0	-69.93	361.42	3.35	-66.58
CC[NH+](CC)CCC(=O)N(C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645672	0	56	0.0	-70.67	409.38	4.81	-65.86
CN(C(=O)C1=CC(C[NH+](C)C)=CN1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645723	0	55	0.0	-70.48	412.93	4.39	-66.09
CC(C(=O)N(C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC(O)CC1	REAL300029645736	0	58	0.0	-68.43	428.35	2.14	-66.29
CN(C(=O)C1CC2COCC[N@@H+]2C1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645741	0	56	0.0	-69.55	414.32	3.42	-66.13
CN(C(=O)C1CC2COCC[N@H+]2C1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645741	1	56	0.0	-69.22	414.12	3.41	-65.81
CC(C(=O)N(C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC1	REAL300029645753	1	51	0.0	-67.72	373.29	3.46	-64.26
CCC(CC(=O)N(C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300029645759	0	59	0.0	-71.88	434.92	5.91	-65.97
CN(C(=O)C=CC1=CC=C(N)[NH+]=C1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645764	0	51	0.0	-73.99	398.44	3.07	-70.92
CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645811	1	54	0.0	-67.16	376.95	3.83	-63.33
CC1CN2CC[N@H+]1CC2C(=O)N(C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645823	1	57	0.0	-68.98	408.82	1.87	-67.11
CN(C(=O)CC(O)C[NH+](C)C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645843	0	54	0.0	-74.69	404.11	1.86	-72.83
CN(C(=O)C1CC2CCC(C1)[NH+]2C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645846	0	58	0.0	-69.32	406.79	4.79	-64.53
C=CCC(C(=O)N(C)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029645878	0	54	0.0	-65.95	403.29	4.84	-61.11
CN(C(=O)C1CC2CCCC[N@@H+]2C1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645885	0	58	0.0	-68.13	423.11	5.81	-62.32
CN(C(=O)C1CC2CCCC[N@H+]2C1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645885	1	58	0.0	-72.10	425.84	5.90	-66.20
CN(C(=O)CC1(O)CC[NH+](C)CC1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029645894	0	58	0.0	-69.66	421.66	3.05	-66.61
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CN(C(=O)C1=CC(=O)[N-]O1)[C@H]1CC[C@@H](NC(=O)CSCC[NH+](C)C)CC1	REAL300029645976	0	54	0.0	-76.09	415.99	4.66	-71.43
CN(C(=O)C1=CC(=O)[N-]O1)[C@H]1CC[C@@H](NC(=O)C2CC3COCC[N@@H+]3C2)CC1	REAL300029645984	0	56	0.0	-66.70	407.54	3.10	-63.60
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C[N@@H+]1CCOC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029646170	1	50	0.0	-77.98	381.97	2.81	-75.17
C[N@H+]1CCOC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029646170	1	50	0.0	-75.92	381.97	2.81	-73.11
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)[NH+]1CCCCCC1	REAL300029646335	0	58	0.0	-66.42	412.99	4.87	-61.55
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CC(C)C1=[NH+]C=CN1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029646388	1	53	0.0	-64.83	410.88	5.10	-59.73
CC1=[NH+]C=CN1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029646418	1	47	0.0	-70.46	368.83	4.21	-66.25
CC(C[NH+]1CCOCC1)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029646420	0	56	0.0	-70.73	410.39	3.44	-67.29
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C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)CC[N@@H+]1C	REAL300029646515	0	52	0.0	-71.52	380.14	3.61	-67.91
C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)CC[N@H+]1C	REAL300029646515	1	52	0.0	-73.28	383.97	3.74	-69.54
CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)CC[N@@H+]1C	REAL300029646519	0	55	0.0	-70.36	401.93	4.01	-66.35
CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)CC[N@H+]1C	REAL300029646519	1	55	0.0	-74.03	401.52	4.76	-69.27
CC[N@@H+]1CCOC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029646531	1	53	0.0	-76.08	399.69	3.46	-72.62
CC[N@H+]1CCOC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029646531	1	53	0.0	-73.58	392.49	3.27	-70.31
CC[NH+](CC)CC(F)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029646567	0	54	0.0	-75.19	397.93	4.30	-70.89
CC1CCC(C)[NH+]1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029646628	0	55	0.0	-65.55	402.53	4.26	-61.29
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C[NH+](C)CC1=CC=CC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)=C1	REAL300029646635	0	55	0.0	-71.46	423.29	5.84	-65.62
C#CC[NH+]1CCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)CC1	REAL300029646639	0	54	0.0	-77.69	408.62	5.40	-72.29
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CC(C)C[N@@H+]1CCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029646662	0	58	0.0	-68.08	429.50	5.33	-62.75
CC(C)C[N@H+]1CCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029646662	1	58	0.0	-68.29	429.71	5.33	-62.96
CC(C)[N@@H+]1CCCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029646667	0	58	0.0	-67.09	423.26	4.98	-62.11
CC(C)[N@H+]1CCCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029646667	1	58	0.0	-72.04	420.74	5.35	-66.69
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C[N@@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)C1CCC1	REAL300029646719	1	52	0.0	-72.97	385.64	4.60	-68.37
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)[NH+]1C(C)CCC1C	REAL300029646768	0	58	0.0	-67.05	412.15	4.82	-62.23
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C[NH+]1CCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)CC1	REAL300029646875	0	52	0.0	-70.90	389.73	4.03	-66.87
C[NH+](C)CC1=CC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)=NO1	REAL300029646904	1	51	0.0	-76.02	403.21	3.31	-72.71
CC1=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C=CC2=C[NH+]=CN21	REAL300029646905	0	50	0.0	-74.86	393.87	6.42	-68.44
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CC1=[NH+]C=CN1CCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029647046	1	53	0.0	-70.35	410.35	5.52	-64.83
C[NH+](C)CC1=CC=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C=C1	REAL300029647051	0	55	0.0	-73.41	423.32	5.85	-67.56
O=C(CC[NH+]1CCOCC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029647052	1	53	0.0	-73.83	399.76	2.37	-71.46
CC1=C[NH+]=CN1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029647077	1	47	0.0	-69.33	373.84	4.67	-64.66
O=C(CN1C=[NH+]C2=C1CCCC2)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029647083	1	54	0.0	-71.58	410.99	6.67	-64.91
C[NH+](C)C1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029647136	0	58	0.0	-66.34	417.43	5.04	-61.30
C[N@@H+]1CCC(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029647139	0	52	0.0	-74.49	388.21	4.30	-70.19
C[N@H+]1CCC(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029647139	1	52	0.0	-75.33	387.94	4.32	-71.01
CCC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)[NH+](C)C	REAL300029647154	0	51	0.0	-67.78	375.67	3.39	-64.39
C[NH+](C)C1(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)CCCC1	REAL300029647167	0	58	0.0	-71.00	408.94	4.77	-66.23
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C[NH+](C)CCCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029647248	0	54	0.0	-70.97	409.86	4.50	-66.47
CCC[N@H+](C)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029647266	0	54	0.0	-76.17	404.10	4.74	-71.43
CCC[N@@H+](C)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029647266	1	54	0.0	-76.11	404.10	4.75	-71.36
CCC[N@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029647270	0	51	0.0	-70.30	384.36	3.78	-66.52
CCC[N@@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029647270	1	51	0.0	-70.40	384.36	3.77	-66.63
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)C12CC[N@H+](C1)CCC2	REAL300029647288	0	53	0.0	-71.52	386.41	3.58	-67.94
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)C12CC[N@@H+](C1)CCC2	REAL300029647288	1	53	0.0	-70.02	386.77	3.58	-66.44
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029647323	0	49	0.0	-69.39	365.07	2.88	-66.51
C[N@H+]1CCC[C@@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029647323	1	49	0.0	-66.43	370.15	3.40	-63.03
CCCCCC[N@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029647373	0	60	0.0	-71.50	448.86	6.12	-65.38
CCCCCC[N@@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029647373	1	60	0.0	-76.22	443.12	6.36	-69.86
CC[NH+](CC)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029647385	0	51	0.0	-68.89	375.92	3.44	-65.45
CCC[N@@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029647411	0	58	0.0	-69.24	428.35	5.37	-63.87
CCC[N@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029647411	1	58	0.0	-68.79	428.87	5.39	-63.40
CC(C)[N@@H+]1CCOC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029647424	1	56	0.0	-78.48	413.30	4.29	-74.19
CC(C)[N@H+]1CCOC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029647424	1	56	0.0	-73.30	417.06	3.99	-69.31
CC1CC[NH+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)CC1	REAL300029647454	0	55	0.0	-75.80	405.09	5.28	-70.52
C[NH+]1CCC(OCC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)CC1	REAL300029647476	0	56	0.0	-73.39	425.09	4.45	-68.94
C[NH+](C)CC1(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)CC1	REAL300029647489	0	52	0.0	-71.10	392.49	4.51	-66.59
CC1=[NH+]C=C2CCC(C(=O)NC3CCN(C(=O)C4=CC(=O)[N-]O4)C34CCC4)CN21	REAL300029647490	1	54	0.0	-63.37	412.79	5.10	-58.27
CC(C)[NH+]1CCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)CC1	REAL300029647554	0	58	0.0	-74.48	414.64	5.22	-69.26
C[NH+]1CCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)CC1	REAL300029647571	0	52	0.0	-70.90	389.73	4.03	-66.87
CCC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)[NH+](CC)CC	REAL300029647601	0	57	0.0	-64.40	407.55	4.38	-60.02
CC[N@H+](C)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029647658	0	51	0.0	-75.40	382.60	4.00	-71.40
CC[N@@H+](C)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029647658	1	51	0.0	-75.38	382.60	4.01	-71.37
CC1CCC[N@@H+]1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029647703	0	52	0.0	-67.24	389.71	4.13	-63.11
CC1CCC[N@H+]1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029647703	1	52	0.0	-67.40	383.35	3.72	-63.68
CC1CC[N@H+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029647705	0	52	0.0	-74.28	385.45	4.34	-69.94
CC1CC[N@@H+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029647705	1	52	0.0	-69.98	390.48	4.11	-65.87
CC1=[NH+]C=C2CC(C(=O)NC3CCN(C(=O)C4=CC(=O)[N-]O4)C34CCC4)CCN21	REAL300029647706	1	54	0.0	-64.46	414.38	5.12	-59.34
CC1(C)CC[N@H+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029647709	0	55	0.0	-74.72	407.94	5.03	-69.69
CC1(C)CC[N@@H+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029647709	1	55	0.0	-69.39	410.12	4.61	-64.78
C[N@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)CC(C)(C)C	REAL300029647710	0	57	0.0	-74.92	408.84	5.10	-69.82
C[N@@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)CC(C)(C)C	REAL300029647710	1	57	0.0	-69.69	415.39	4.92	-64.77
CC[C@@H](C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)[NH+](C)C	REAL300029647717	0	51	0.0	-67.51	372.92	3.51	-64.00
C[NH+]1CCC(O)(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)CC1	REAL300029647872	0	56	0.0	-71.69	415.10	2.71	-68.98
C[NH+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029647882	0	45	0.0	-70.72	345.13	2.36	-68.36
O=C(C[NH+]1CCC(CO)CC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029647885	1	56	0.0	-71.98	418.55	1.54	-70.44
O=C(C[NH+]1CCCCCC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029647887	0	55	0.0	-70.75	397.36	4.78	-65.97
CN1C=C[N+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)=C1	REAL300029647891	0	47	0.0	-71.84	370.63	6.11	-65.73
C[N@@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029647897	0	52	0.0	-73.85	387.14	4.42	-69.43
C[N@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029647897	1	52	0.0	-64.84	382.75	4.17	-60.67
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)C1CCC[N@@H+]1C1CC1	REAL300029647901	0	53	0.0	-69.08	396.27	4.19	-64.89
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)C1CCC[N@H+]1C1CC1	REAL300029647901	1	53	0.0	-67.20	385.71	4.66	-62.54
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)[NH+]1CCC1	REAL300029647925	1	49	0.0	-67.59	372.70	3.45	-64.14
CCC(CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)C[NH+](C)C	REAL300029647931	0	57	0.0	-67.83	419.51	4.96	-62.87
O=C(C[NH+]1CCC(O)CC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029647960	1	53	0.0	-80.02	395.33	1.31	-78.71
C[N@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)C1CC1	REAL300029647961	0	49	0.0	-67.37	374.40	3.77	-63.60
C[N@@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)C1CC1	REAL300029647961	1	49	0.0	-72.92	371.91	4.20	-68.72
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)N1CC[NH+](C)CC1	REAL300029647962	1	57	0.0	-71.97	410.33	2.41	-69.56
C[NH+]1CC(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029647978	0	49	0.0	-70.11	376.24	3.11	-67.00
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)C1CC[N@@H+]1C1CCCC1	REAL300029647982	0	56	0.0	-68.85	412.65	5.04	-63.81
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)C1CC[N@H+]1C1CCCC1	REAL300029647982	1	56	0.0	-74.18	410.01	5.39	-68.79
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029647989	0	55	0.0	-65.96	405.81	4.04	-61.92
CC(C)(C)[N@H+]1CCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029647989	1	55	0.0	-66.62	391.87	3.44	-63.18
C[C@@H](C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)[NH+](C)C	REAL300029648000	0	48	0.0	-72.43	358.38	3.07	-69.36
CCC1CCC[N@H+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029648035	0	58	0.0	-70.04	419.09	5.42	-64.62
CCC1CCC[N@@H+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029648035	1	58	0.0	-75.42	415.38	5.82	-69.60
C[NH+](C)CC1=CC=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)N1	REAL300029648042	0	53	0.0	-74.01	411.71	3.79	-70.22
[NH2+]=C1SC=CN1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648079	0	45	0.0	-70.33	366.47	2.77	-67.56
C[N@H+](CCO)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648087	0	52	0.0	-74.94	392.96	0.78	-74.16
C[N@@H+](CCO)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648087	1	52	0.0	-74.96	390.69	0.61	-74.35
C[C@@H](C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)[NH+](C)C	REAL300029648088	0	48	0.0	-72.43	358.38	3.07	-69.36
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648092	0	52	0.0	-67.97	376.93	3.80	-64.17
C[N@H+]1CCCC[C@@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648092	1	52	0.0	-67.18	387.08	3.95	-63.23
CC1CN2CC[N@@H+]1CC2C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648099	0	55	0.0	-70.70	397.64	1.21	-69.49
CC1CN2CC[N@H+]1CC2C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648099	1	55	0.0	-72.39	398.01	1.33	-71.06
O=C(CC1=CC2=C[NH+]=CN2C=C1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648142	0	50	0.0	-71.62	393.80	6.78	-64.84
C[N@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)C1CCSC1	REAL300029648164	0	53	0.0	-81.05	398.89	4.83	-76.22
C[N@@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)C1CCSC1	REAL300029648164	1	53	0.0	-75.98	404.40	4.61	-71.37
C[NH+](C)CC1=CC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)=CC=N1	REAL300029648190	1	54	0.0	-69.92	418.64	4.39	-65.53
C[N@@H+]1CCC(=CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029648191	0	50	0.0	-72.31	383.33	3.88	-68.43
C[N@H+]1CCC(=CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029648191	1	50	0.0	-72.39	382.98	3.92	-68.47
C[NH+](C)CCOCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648219	0	52	0.0	-69.77	400.37	3.42	-66.35
CCCCC[N@H+](C)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648225	0	60	0.0	-77.08	447.11	6.31	-70.77
CCCCC[N@@H+](C)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648225	1	60	0.0	-77.04	447.11	6.30	-70.74
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)O1	REAL300029648233	0	56	0.0	-69.35	424.00	4.30	-65.05
C=CCC(C)(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)[NH+](C)C	REAL300029648240	0	55	0.0	-67.51	396.36	4.18	-63.33
C[S+](C)CCC(O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648245	0	51	0.0	-78.29	407.36	2.41	-75.88
CN1CC[N@H+](C)CC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029648278	0	57	0.0	-71.25	413.61	1.91	-69.34
CN1CC[N@@H+](C)CC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029648278	1	57	0.0	-71.25	413.61	1.91	-69.34
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)N1CCCC(O)C1	REAL300029648279	0	56	0.0	-69.13	415.49	1.26	-67.87
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)[N@@H+]1CCCC(O)C1	REAL300029648279	1	56	0.0	-68.31	413.49	1.48	-66.83
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)[N@H+]1CCCC(O)C1	REAL300029648279	1	56	0.0	-68.31	413.49	1.48	-66.83
O=C(CN1CCC(CO)CC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648289	0	56	0.0	-71.98	418.55	1.54	-70.44
O=C(C[NH+]1CCC(CO)CC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648289	1	56	0.0	-71.98	418.55	1.54	-70.44
C[N@@H+]1CCCC(O)(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029648298	0	56	0.0	-72.70	401.01	3.10	-69.60
C[N@H+]1CCCC(O)(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029648298	1	56	0.0	-72.70	401.01	3.10	-69.60
CC1CN(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029648301	0	49	0.0	-70.03	376.40	3.46	-66.57
CC1C[NH+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029648301	1	49	0.0	-70.03	376.40	3.46	-66.57
CN(CCO)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648326	0	49	0.0	-75.23	367.48	0.04	-75.19
C[N@H+](CCO)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648326	1	49	0.0	-69.91	373.21	-0.19	-70.10
C[N@@H+](CCO)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648326	1	49	0.0	-69.91	373.21	-0.19	-70.10
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)C1C[N@@H+]2CCN1CCC2	REAL300029648346	0	55	0.0	-73.92	391.33	2.15	-71.77
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)C1C[N@H+]2CCN1CCC2	REAL300029648346	1	55	0.0	-73.92	391.33	2.15	-71.77
CC[N@@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029648350	0	55	0.0	-68.17	407.31	4.62	-63.55
CC[N@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029648350	1	55	0.0	-68.17	407.31	4.62	-63.55
CC(CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)C[NH+](C)C	REAL300029648352	0	54	0.0	-71.14	401.68	4.37	-66.77
CC[N@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648364	0	48	0.0	-74.66	357.13	3.28	-71.38
CC[N@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)C1CC1	REAL300029648411	0	52	0.0	-67.94	390.38	4.39	-63.55
CC[NH+](CC)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648426	0	54	0.0	-69.79	398.72	3.99	-65.80
CC1(O)CCN(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029648472	0	53	0.0	-75.46	397.75	1.15	-74.31
CC1(O)CC[N@H+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029648472	1	53	0.0	-70.72	401.02	0.78	-69.94
CC1(O)CC[N@@H+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029648472	1	53	0.0	-70.72	401.02	0.78	-69.94
C[NH+](C)CC=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648478	0	49	0.0	-72.79	382.36	3.62	-69.17
CC(OCC[NH+](C)C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648495	0	55	0.0	-66.97	420.80	4.10	-62.87
C[NH+](C)CCOCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648504	0	55	0.0	-68.61	421.17	3.15	-65.46
COCCN(C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648505	0	52	0.0	-69.71	395.47	2.20	-67.51
COCC[N@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648505	1	52	0.0	-75.52	389.73	2.44	-73.08
COCC[N@@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648505	1	52	0.0	-75.52	389.73	2.44	-73.08
CC(CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)[NH+](C)C	REAL300029648538	0	54	0.0	-69.44	401.20	4.10	-65.34
CCN1CCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648547	0	49	0.0	-72.15	365.03	3.43	-68.72
CC[N@@H+]1CCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648547	1	49	0.0	-68.51	376.81	3.32	-65.19
CC[N@H+]1CCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648547	1	49	0.0	-68.51	376.81	3.32	-65.19
CC(C)[N@@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029648556	0	58	0.0	-67.20	423.35	5.13	-62.07
CC(C)[N@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029648556	1	58	0.0	-67.20	423.35	5.13	-62.07
O=C(C[N@H+]1CCCC1CO)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648568	0	53	0.0	-69.94	394.11	0.41	-69.53
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)C1CC2CCCC[N@@H+]2C1	REAL300029648587	0	56	0.0	-70.80	408.63	5.48	-65.32
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)C1CC2CCCC[N@H+]2C1	REAL300029648587	1	56	0.0	-70.80	408.63	5.48	-65.32
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)N1CCC(O)CC1	REAL300029648606	0	56	0.0	-69.94	408.50	1.20	-68.74
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)[NH+]1CCC(O)CC1	REAL300029648606	1	56	0.0	-69.94	408.50	1.20	-68.74
C=CCC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)[NH+](C)C	REAL300029648614	0	52	0.0	-71.55	383.46	4.18	-67.37
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648621	0	55	0.0	-66.35	410.78	4.56	-61.79
C[NH+](C)CCCCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648625	0	57	0.0	-70.36	431.35	5.29	-65.07
CC1C[N@@H+]2CCN1C(C(=O)NC1CCN(C(=O)C3=CC(=O)[N-]O3)C13CCC3)C2	REAL300029648659	0	55	0.0	-75.72	397.72	1.37	-74.35
CCCC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)[NH+](C)C	REAL300029648660	0	54	0.0	-73.22	388.43	4.18	-69.04
C[N@@H+]1CCCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648698	0	52	0.0	-71.54	371.83	4.04	-67.50
C[N@H+]1CC=C(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)CC1	REAL300029648734	0	53	0.0	-69.98	398.54	4.93	-65.05
C[N@@H+]1CC=C(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)CC1	REAL300029648734	1	53	0.0	-69.98	398.54	4.93	-65.05
O=C(CC1([NH+]2CCCC2)CC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648741	0	56	0.0	-67.27	407.82	5.02	-62.25
CN(C)CC1=CC=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)O1	REAL300029648784	0	52	0.0	-70.97	409.66	4.14	-66.83
C[NH+](C)CC1=CC=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)O1	REAL300029648784	1	52	0.0	-70.97	409.66	4.14	-66.83
O=C(C=CC[NH+]1CCCC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648799	0	53	0.0	-71.41	407.44	4.79	-66.62
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)C1CC[NH+](C2CC2)CC1	REAL300029648820	0	56	0.0	-74.68	408.84	5.47	-69.21
O=C(CC[NH+]1CCCC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648836	0	52	0.0	-70.33	391.87	3.98	-66.35
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)C1C[NH+]2CCN1CC2	REAL300029648868	0	52	0.0	-71.53	381.45	0.83	-70.70
O=C(C[N@@H+]1CC2CCC1C2)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648888	0	53	0.0	-67.82	392.27	4.47	-63.35
O=C(C[N@H+]1CC2CCC1C2)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648888	1	53	0.0	-68.29	390.96	4.43	-63.86
O=C(C=C1C[NH+]2CCC1CC2)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648925	0	54	0.0	-67.54	401.58	4.77	-62.77
CC[NH+]1CCN(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)CC1	REAL300029648957	0	57	0.0	-68.54	420.75	2.52	-66.02
CC(C[NH+](C)C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029648972	0	51	0.0	-70.29	383.54	3.64	-66.65
C[N@@H+]1CCCCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029649040	0	55	0.0	-65.29	396.81	4.41	-60.88
C[N@H+]1CCCCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029649040	1	55	0.0	-65.63	396.25	4.43	-61.20
CC1=C2C=C(C(=O)NC3CCN(C(=O)C4=CC(=O)[N-]O4)C34CCC4)C=CN2C=[NH+]1	REAL300029649053	1	50	0.0	-69.47	397.48	6.45	-63.02
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)[NH+]1CC(C)C1	REAL300029649054	1	52	0.0	-66.93	392.63	4.09	-62.84
CC1CC[N@@H+]1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029649057	1	49	0.0	-68.41	376.48	3.46	-64.95
CC1CC[N@H+]1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029649057	1	49	0.0	-73.81	372.95	3.80	-70.01
C[NH+](C)CC(O)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029649061	0	52	0.0	-73.91	397.20	1.36	-72.55
CC1C[N@H+](C)CC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)O1	REAL300029649084	1	53	0.0	-78.90	395.77	3.08	-75.82
CC1C[N@@H+](C)CC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)O1	REAL300029649084	1	53	0.0	-77.92	396.46	3.12	-74.80
O=C(CC[NH+]1CCC(O)CC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029649093	0	56	0.0	-73.95	419.78	1.42	-72.53
CCC[N@@H+]1CCCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029649095	0	58	0.0	-66.23	425.00	5.39	-60.84
CCC[N@H+]1CCCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029649095	1	58	0.0	-70.06	422.60	5.72	-64.34
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029649166	0	52	0.0	-70.41	394.70	4.09	-66.32
CC(CC[NH+](C)C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029649174	0	54	0.0	-70.24	405.18	4.26	-65.98
C[N@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)[C@@H]1CCC[C@H]1O	REAL300029649191	0	56	0.0	-70.43	410.01	2.00	-68.43
C[N@@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)[C@@H]1CCC[C@H]1O	REAL300029649191	1	56	0.0	-68.34	415.42	1.62	-66.72
C[NH+]1CCN(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)CC1	REAL300029649201	1	54	0.0	-70.11	403.40	1.86	-68.25
CC[NH+]1CCN(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)CC1	REAL300029649210	0	57	0.0	-68.54	420.75	2.52	-66.02
NC(=[NH2+])SCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029649232	0	43	0.0	-70.84	353.02	-0.76	-71.60
CC[N@@H+]1CCOCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029649265	0	56	0.0	-72.86	412.66	2.84	-70.02
C[NH+](C)C1CCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)CC1	REAL300029649279	0	58	0.0	-76.46	418.22	5.45	-71.01
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)CC1	REAL300029649281	0	58	0.0	-65.06	417.42	5.05	-60.01
C[N@@H+]1CC=CCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029649282	0	53	0.0	-64.52	391.33	4.36	-60.16
C[N@H+]1CC=CCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029649282	1	53	0.0	-64.52	391.33	4.36	-60.16
C[C@@H](OCC[NH+](C)C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029649303	0	55	0.0	-66.98	420.79	4.10	-62.88
C[NH+]1C2CCC1CC(C(=O)NC1CCN(C(=O)C3=CC(=O)[N-]O3)C13CCC3)C2	REAL300029649325	0	56	0.0	-69.20	405.16	4.60	-64.60
C[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029649423	1	49	0.0	-72.62	356.82	3.07	-69.55
O=C(CC[N@@H+]1CCC(F)C1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029649430	1	52	0.0	-80.19	397.12	4.61	-75.58
O=C(CC[NH+]1CCCCCC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029649446	0	58	0.0	-71.76	419.15	4.99	-66.77
O=C(C[NH+]1CCCCC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029649448	0	52	0.0	-69.62	386.87	4.23	-65.39
CC1C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)CC[N@@H+]1C	REAL300029649456	0	52	0.0	-71.81	377.38	3.73	-68.08
CC1C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)CC[N@H+]1C	REAL300029649456	1	52	0.0	-71.72	382.17	4.08	-67.64
C[N@@H+]1CCCCC1CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029649458	0	58	0.0	-76.67	413.33	5.34	-71.33
C[N@H+]1CCCCC1CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029649458	1	58	0.0	-71.45	419.05	5.06	-66.39
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)C1CC[N@@H+]2CCOCC12	REAL300029649482	0	54	0.0	-67.24	399.38	2.61	-64.63
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)C1CC[N@H+]2CCOCC12	REAL300029649482	1	54	0.0	-67.96	398.91	2.64	-65.32
CC1=[NH+]C=C2C=CC(C(=O)NC3CCN(C(=O)C4=CC(=O)[N-]O4)C34CCC4)=CN21	REAL300029649487	0	50	0.0	-69.46	390.98	5.89	-63.57
CN1CCOCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029649504	0	53	0.0	-70.89	385.65	2.46	-68.43
C[N@@H+]1CCOCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029649504	1	53	0.0	-67.09	387.58	2.01	-65.08
C[N@H+]1CCOCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029649504	1	53	0.0	-70.89	385.65	2.46	-68.43
CC1=C(C)[NH+]=C(CCC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCC3)N1	REAL300029649512	1	53	0.0	-69.01	412.75	4.08	-64.93
C[N@H+]1CCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029649680	1	49	0.0	-74.61	363.06	3.34	-71.27
CC1=[NH+]C=CN1CCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029649866	1	53	0.0	-65.22	418.66	5.40	-59.82
C[NH+](C)CC1=CC=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)C=C1	REAL300029649871	0	55	0.0	-75.17	422.13	5.53	-69.64
O=C(CC[NH+]1CCOCC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029649872	1	53	0.0	-73.05	402.97	2.51	-70.54
O=C(NC1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C12CCC2)C1=CC(=O)[N-]O1	REAL300029649898	1	47	0.0	-79.43	371.62	6.07	-73.36
C[NH+](C)C1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029649950	0	58	0.0	-64.35	415.43	4.82	-59.53
C[N@@H+]1CCC(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029649953	0	52	0.0	-70.71	393.96	4.09	-66.62
C[N@H+]1CCC(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029649953	1	52	0.0	-76.25	391.32	4.55	-71.70
CCC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2)[NH+](C)C	REAL300029649968	0	51	0.0	-66.02	376.82	3.53	-62.49
C[NH+](C)CCCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029650027	0	54	0.0	-69.83	413.05	4.63	-65.20
CCC[N@H+](C)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029650047	0	54	0.0	-70.38	409.19	4.47	-65.91
CCC[N@@H+](C)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029650047	1	54	0.0	-70.79	409.29	4.47	-66.32
CCC[N@H+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029650051	0	51	0.0	-68.97	386.94	3.88	-65.09
CCC[N@@H+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029650051	1	51	0.0	-69.16	386.91	3.89	-65.27
O=C(NC1CCN(C(=O)C23CC[N@H+](C2)CCC3)C12CCC2)C1=CC(=O)[N-]O1	REAL300029650069	0	53	0.0	-81.49	374.68	3.58	-77.91
O=C(NC1CCN(C(=O)C23CC[N@@H+](C2)CCC3)C12CCC2)C1=CC(=O)[N-]O1	REAL300029650069	1	53	0.0	-69.84	380.66	3.32	-66.52
CCCCCC[N@H+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029650098	0	60	0.0	-69.95	451.33	6.23	-63.72
CCCCCC[N@@H+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029650098	1	60	0.0	-70.28	451.44	6.22	-64.06
CC1CC[NH+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)CC1	REAL300029650133	0	55	0.0	-69.25	410.27	4.96	-64.29
C[NH+]1CCC(OCC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)CC1	REAL300029650155	0	56	0.0	-72.59	427.64	4.45	-68.14
O=C(NC1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C12CCC2)C1=CC(=O)[N-]O1	REAL300029650193	0	56	0.0	-66.91	414.11	5.09	-61.82
O=C(NC1CCN(C(=O)C2CC3CCCC[N@H+]3C2)C12CCC2)C1=CC(=O)[N-]O1	REAL300029650193	1	56	0.0	-69.24	410.84	5.00	-64.24
C[NH+](C)CC1(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)CC1	REAL300029650203	0	52	0.0	-70.41	395.96	3.95	-66.46
CC1=[NH+]C=C2CCC(C(=O)N3CCC(NC(=O)C4=CC(=O)[N-]O4)C34CCC4)CN21	REAL300029650204	1	54	0.0	-62.23	416.14	5.08	-57.15
CC(C)[NH+]1CCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)CC1	REAL300029650214	0	58	0.0	-68.18	418.96	4.88	-63.30
CC[N@H+](C)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029650236	0	51	0.0	-70.15	387.79	3.73	-66.42
CC[N@@H+](C)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029650236	1	51	0.0	-69.56	387.70	3.71	-65.85
O=C(NC1CCN(C(=O)C2C[NH+]3CCC2CC3)C12CCC2)C1=CC(=O)[N-]O1	REAL300029650266	0	53	0.0	-70.62	385.23	3.93	-66.69
C[NH+]1CCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)CC1	REAL300029650334	0	52	0.0	-70.25	388.27	3.89	-66.36
CC[NH+](CC)CC(F)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029650422	0	54	0.0	-68.15	403.22	4.04	-64.11
CC(C)C[N@@H+]1CCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029650449	0	58	0.0	-67.54	430.80	5.40	-62.14
CC(C)C[N@H+]1CCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029650449	1	58	0.0	-68.33	429.48	5.35	-62.98
CCC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2)[NH+](CC)CC	REAL300029650474	0	57	0.0	-62.89	411.45	4.69	-58.20
CC1CCC[N@@H+]1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029650490	0	52	0.0	-73.31	387.25	4.50	-68.81
CC1CCC[N@H+]1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029650490	1	52	0.0	-71.91	382.85	4.21	-67.70
CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2)[NH+]1CCCCCC1	REAL300029650551	0	58	0.0	-64.68	410.63	4.78	-59.90
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029650570	0	55	0.0	-63.70	403.07	4.41	-59.29
CC(C)[N@H+]1CCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029650570	1	55	0.0	-65.89	395.19	4.50	-61.39
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029650575	0	58	0.0	-72.77	419.71	5.37	-67.40
CC(C)[N@H+]1CCCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029650575	1	58	0.0	-67.51	417.18	4.72	-62.79
CC1CC[N@H+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029650605	0	52	0.0	-75.27	388.01	4.39	-70.88
CC1CC[N@@H+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029650605	1	52	0.0	-75.15	389.48	4.60	-70.55
CC1=[NH+]C=C2CC(C(=O)N3CCC(NC(=O)C4=CC(=O)[N-]O4)C34CCC4)CCN21	REAL300029650606	1	54	0.0	-64.00	412.90	5.01	-58.99
CC1(C)CC[N@H+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029650609	0	55	0.0	-74.86	409.10	5.11	-69.75
CC1(C)CC[N@@H+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029650609	1	55	0.0	-75.31	407.67	4.95	-70.36
C[N@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2)CC(C)(C)C	REAL300029650610	0	57	0.0	-68.35	417.74	4.97	-63.38
C[N@@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2)CC(C)(C)C	REAL300029650610	1	57	0.0	-68.38	418.05	5.04	-63.34
CC[C@@H](C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2)[NH+](C)C	REAL300029650617	0	51	0.0	-66.30	375.22	3.38	-62.92
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CC1CCN1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029653501	0	49	0.0	-67.64	379.04	3.55	-64.09
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CC1(C)C[NH+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)C1	REAL300029653524	1	52	0.0	-68.77	398.09	4.07	-64.70
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)N1	REAL300029653542	1	53	0.0	-63.22	417.87	3.79	-59.43
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CC[NH+](CC)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029653589	0	51	0.0	-66.76	383.80	3.83	-62.93
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CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2)[NH+]1CCC1	REAL300029653729	1	49	0.0	-65.31	373.97	3.37	-61.94
CCC(CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2)C[NH+](C)C	REAL300029653736	0	57	0.0	-69.77	418.77	5.03	-64.74
NC1=CC=C(C=CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)C=[NH+]1	REAL300029653741	0	49	0.0	-69.92	394.41	2.72	-67.20
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029653793	1	52	0.0	-65.97	388.31	4.03	-61.94
CC1CN2CC[N@H+]1CC2C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029653806	1	55	0.0	-81.16	391.13	1.25	-79.91
C[NH+](C)CC(O)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029653826	0	52	0.0	-72.92	400.10	1.41	-71.51
C[NH+]1C2CCC1CC(C(=O)N1CCC(NC(=O)C3=CC(=O)[N-]O3)C13CCC3)C2	REAL300029653829	0	56	0.0	-63.60	376.36	4.36	-59.24
C=CCC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2)[NH+](C)C	REAL300029653861	0	52	0.0	-65.99	390.59	4.00	-61.99
O=C(NC1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C12CCC2)C1=CC(=O)[N-]O1	REAL300029653868	0	56	0.0	-66.91	414.11	5.09	-61.82
O=C(NC1CCN(C(=O)C2CC3CCCC[N@H+]3C2)C12CCC2)C1=CC(=O)[N-]O1	REAL300029653868	1	56	0.0	-69.24	410.84	5.00	-64.24
C[NH+]1CCC(O)(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)CC1	REAL300029653877	0	56	0.0	-68.75	418.54	2.67	-66.08
CC1=C2C=C(C(=O)NC3CCN(C(=O)C4=CC(=O)[N-]O4)C34CCC4)C=CN2C=[NH+]1	REAL300029653950	1	50	0.0	-69.47	397.48	6.45	-63.02
C[NH+](C)CCSCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029653958	0	52	0.0	-73.54	411.39	4.30	-69.24
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)C1CC2COCC[N@@H+]2C1	REAL300029653965	0	54	0.0	-71.39	403.13	2.70	-68.69
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)C1CC2COCC[N@H+]2C1	REAL300029653965	1	54	0.0	-69.93	402.92	2.70	-67.23
CC(C)C1N(C(=O)C2=CC(=O)[N-]O2)CC12CCN(C(=O)C1CCC[N@@H+]1C)CC2	REAL300029654081	0	58	0.0	-69.16	416.52	6.35	-62.81
CC(C)C1N(C(=O)C2=CC(=O)[N-]O2)CC12CCN(C(=O)C1CCC[N@H+]1C)CC2	REAL300029654081	1	58	0.0	-77.99	419.67	6.46	-71.53
CCC(C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2C(C)C)CC1)[NH+](C)C	REAL300029654204	0	60	0.0	-70.17	423.94	5.93	-64.24
CCC[N@H+](C)CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2C(C)C)CC1	REAL300029654210	0	60	0.0	-72.09	434.93	6.35	-65.74
CCC[N@@H+](C)CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2C(C)C)CC1	REAL300029654210	1	60	0.0	-71.92	434.92	6.36	-65.56
CC(C)C1N(C(=O)C2=CC(=O)[N-]O2)CC12CCN(C(=O)[C@H]1CCC[N@@H+]1C)CC2	REAL300029654218	0	58	0.0	-77.97	422.16	6.50	-71.47
CC(C)C1N(C(=O)C2=CC(=O)[N-]O2)CC12CCN(C(=O)[C@H]1CCC[N@H+]1C)CC2	REAL300029654218	1	58	0.0	-68.75	415.32	5.47	-63.28
CC[NH+](CC)CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2C(C)C)CC1	REAL300029654224	0	60	0.0	-69.20	426.28	5.98	-63.22
CC[N@H+](C)CCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2C(C)C)CC1	REAL300029654286	0	60	0.0	-72.49	435.12	6.16	-66.33
CC[N@@H+](C)CCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2C(C)C)CC1	REAL300029654286	1	60	0.0	-73.21	435.79	6.21	-67.00
CC[C@@H](C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2C(C)C)CC1)[NH+](C)C	REAL300029654289	0	60	0.0	-70.55	425.40	5.98	-64.57
CC(C)C1N(C(=O)C2=CC(=O)[N-]O2)CC12CCN(C(=O)C[NH+](C)C)CC2	REAL300029654309	0	54	0.0	-72.36	395.69	4.94	-67.42
CC(C)C1N(C(=O)C2=CC(=O)[N-]O2)CC12CCN(C(=O)C(C)[NH+]1CCC1)CC2	REAL300029654314	0	58	0.0	-69.05	423.90	5.86	-63.19
CC(C)C1N(C(=O)C2=CC(=O)[N-]O2)CC12CCN(C(=O)C[N@H+](C)C1CC1)CC2	REAL300029654321	0	58	0.0	-69.09	424.47	6.32	-62.77
CC(C)C1N(C(=O)C2=CC(=O)[N-]O2)CC12CCN(C(=O)C[N@@H+](C)C1CC1)CC2	REAL300029654321	1	58	0.0	-69.10	424.97	6.35	-62.75
CC(C)C1N(C(=O)C2=CC(=O)[N-]O2)CC12CCN(C(=O)CC1C[NH+](C)C1)CC2	REAL300029654327	0	58	0.0	-72.31	426.97	5.81	-66.50
CC(C)C1N(C(=O)C2=CC(=O)[N-]O2)CC12CCN(C(=O)[C@H](C)[NH+](C)C)CC2	REAL300029654336	0	57	0.0	-77.64	412.03	5.31	-72.33
CC(C)C1N(C(=O)C2=CC(=O)[N-]O2)CC12CCN(C(=O)[C@H](C)[NH+](C)C)CC2	REAL300029654361	0	57	0.0	-77.64	412.03	5.31	-72.33
CC(C)C1N(C(=O)C2=CC(=O)[N-]O2)CC12CCN(C(=O)C[NH+]1CCC1)CC2	REAL300029654381	1	55	0.0	-79.02	406.46	5.35	-73.67
CC(C)C1N(C(=O)C2=CC(=O)[N-]O2)CC12CCN(C(=O)[C@@H](C)[NH+](C)C)CC2	REAL300029654394	0	57	0.0	-76.44	412.05	5.34	-71.10
CC(C)C1N(C(=O)C2=CC(=O)[N-]O2)CC12CCN(C(=O)C[NH+]1CC(C)C1)CC2	REAL300029654402	1	58	0.0	-71.27	426.32	5.98	-65.29
CC(C)C1N(C(=O)C2=CC(=O)[N-]O2)CC12CCN(C(=O)C[N@H+](C)CCO)CC2	REAL300029654413	1	58	0.0	-71.92	423.77	2.37	-69.55
CC(C)C1N(C(=O)C2=CC(=O)[N-]O2)CC12CCN(C(=O)C[N@@H+](C)CCO)CC2	REAL300029654413	1	58	0.0	-71.47	423.07	2.33	-69.14
CC[N@H+](C)CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2C(C)C)CC1	REAL300029654421	0	57	0.0	-71.60	413.42	5.60	-66.00
CC[N@@H+](C)CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2C(C)C)CC1	REAL300029654421	1	57	0.0	-71.50	413.42	5.61	-65.89
CC(C)C1N(C(=O)C2=CC(=O)[N-]O2)CC12CCN(C(=O)C=CC[NH+](C)C)CC2	REAL300029654442	0	58	0.0	-74.67	431.40	6.18	-68.49
CC[N@@H+]1CCC1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2C(C)C)CC1	REAL300029654449	0	58	0.0	-78.06	425.41	6.08	-71.98
CC[N@H+]1CCC1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2C(C)C)CC1	REAL300029654449	1	58	0.0	-71.30	427.85	6.61	-64.69
CC(C)C1N(C(=O)C2=CC(=O)[N-]O2)CC12CCN(C(=O)C(C)(C)[NH+](C)C)CC2	REAL300029654465	0	60	0.0	-67.59	417.36	5.58	-62.01
CC(C)C1N(C(=O)C2=CC(=O)[N-]O2)CC12CCN(C(=O)C1([NH+](C)C)CC1)CC2	REAL300029654493	0	58	0.0	-69.28	418.23	5.34	-63.94
CC(C)C1N(C(=O)C2=CC(=O)[N-]O2)CC12CCN(C(=O)C(C)C[NH+](C)C)CC2	REAL300029654516	0	60	0.0	-73.17	431.32	5.94	-67.23
CC(C)C1N(C(=O)C2=CC(=O)[N-]O2)CC12CCN(C(=O)C[N@@H+]1CCC1C)CC2	REAL300029654528	0	58	0.0	-80.82	428.61	6.73	-74.09
CC(C)C1N(C(=O)C2=CC(=O)[N-]O2)CC12CCN(C(=O)C[N@H+]1CCC1C)CC2	REAL300029654528	1	58	0.0	-70.94	428.54	6.71	-64.23
CC(C)C1N(C(=O)C2=CC(=O)[N-]O2)CC12CCN(C(=O)CSC(N)=[NH2+])CC2	REAL300029654554	0	52	0.0	-72.87	404.22	1.90	-70.97
CC(C)C1N(C(=O)C2=CC(=O)[N-]O2)CC12CCN(C(=O)[C@@H]1CCC[N@@H+]1C)CC2	REAL300029654587	0	58	0.0	-72.63	415.66	6.18	-66.45
CC(C)C1N(C(=O)C2=CC(=O)[N-]O2)CC12CCN(C(=O)[C@@H]1CCC[N@H+]1C)CC2	REAL300029654587	1	58	0.0	-68.67	422.56	6.59	-62.08
CC(C)C1N(C(=O)C2CCC[N@@H+]2C)CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029654709	0	58	0.0	-70.46	424.35	6.28	-64.18
CC(C)C1N(C(=O)C2CCC[N@H+]2C)CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029654709	1	58	0.0	-70.35	414.25	5.27	-65.08
CCC(C(=O)N1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1C(C)C)[NH+](C)C	REAL300029654799	0	60	0.0	-71.05	431.39	6.39	-64.66
CCC[N@H+](C)CC(=O)N1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1C(C)C	REAL300029654802	0	60	0.0	-73.85	434.20	6.21	-67.64
CCC[N@@H+](C)CC(=O)N1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1C(C)C	REAL300029654802	1	60	0.0	-71.66	433.59	6.20	-65.46
CC[N@H+](C)CCC(=O)N1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1C(C)C	REAL300029654819	0	60	0.0	-74.52	434.98	6.00	-68.52
CC[N@@H+](C)CCC(=O)N1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1C(C)C	REAL300029654819	1	60	0.0	-73.51	434.98	5.98	-67.53
CC[C@@H](C(=O)N1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1C(C)C)[NH+](C)C	REAL300029654847	0	60	0.0	-68.15	420.90	5.76	-62.39
CC(C)C1N(C(=O)[C@H]2CCC[N@@H+]2C)CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029654889	0	58	0.0	-69.46	419.69	6.58	-62.88
CC(C)C1N(C(=O)[C@H]2CCC[N@H+]2C)CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029654889	1	58	0.0	-70.22	415.15	5.36	-64.86
CC(C)C1N(C(=O)[C@H](C)[NH+](C)C)CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029654943	0	57	0.0	-69.71	411.75	5.18	-64.53
CC(C)C1N(C(=O)C[N@H+](C)CCO)CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029654955	1	58	0.0	-71.74	422.44	2.22	-69.52
CC(C)C1N(C(=O)C[N@@H+](C)CCO)CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029654955	1	58	0.0	-73.84	423.01	2.32	-71.52
CC(C)C1N(C(=O)C[NH+]2CC(C)C2)CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029654976	1	58	0.0	-72.53	424.80	6.04	-66.49
CC[N@H+](C)CC(=O)N1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1C(C)C	REAL300029654992	0	57	0.0	-72.02	418.12	6.03	-65.99
CC[N@@H+](C)CC(=O)N1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1C(C)C	REAL300029654992	1	57	0.0	-71.33	412.09	5.45	-65.88
CC(C)C1N(C(=O)C(C)C[NH+](C)C)CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029655023	0	60	0.0	-73.96	435.89	6.24	-67.72
CC(C)C1N(C(=O)[C@@H](C)[NH+](C)C)CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029655028	0	57	0.0	-71.51	412.30	5.16	-66.35
CC[N@@H+]1CCC1C(=O)N1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1C(C)C	REAL300029655031	1	58	0.0	-73.25	431.91	6.28	-66.97
CC[N@H+]1CCC1C(=O)N1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1C(C)C	REAL300029655031	1	58	0.0	-70.84	419.15	5.50	-65.34
CC(C)C1N(C(=O)C2=C[NH+]=CC=C2N)CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029655038	0	54	0.0	-74.15	401.76	2.92	-71.23
CC(C)C1N(C(=O)[C@@H]2CCC[N@@H+]2C)CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029655102	0	58	0.0	-72.50	414.02	6.04	-66.46
CC(C)C1N(C(=O)[C@@H]2CCC[N@H+]2C)CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029655102	1	58	0.0	-70.32	419.03	6.50	-63.82
CC(C)C1N(C(=O)C[N@H+](C)C2CC2)CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029655142	0	58	0.0	-70.06	429.21	6.61	-63.45
CC(C)C1N(C(=O)C[N@@H+](C)C2CC2)CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029655142	1	58	0.0	-70.12	424.30	6.18	-63.94
CC(C)C1N(C(=O)CC2C[NH+](C)C2)CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029655169	0	58	0.0	-74.86	430.92	5.94	-68.92
CC(C)C1N(C(=O)C[NH+](C)C)CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029655174	0	54	0.0	-74.36	395.96	5.50	-68.86
CC(C)C1N(C(=O)[C@H](C)[NH+](C)C)CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029655179	0	57	0.0	-69.71	411.75	5.18	-64.53
CC(C)C1N(C(=O)C[N@@H+]2CCC2C)CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029655186	1	58	0.0	-70.63	420.71	5.59	-65.04
CC(C)C1N(C(=O)C[N@H+]2CCC2C)CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029655186	1	58	0.0	-70.13	420.11	5.63	-64.50
CC(C)C1N(C(=O)C=CC[NH+](C)C)CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029655187	0	58	0.0	-76.30	435.64	6.40	-69.90
CC[NH+](CC)CC(=O)N1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1C(C)C	REAL300029655196	0	60	0.0	-70.72	436.20	6.68	-64.04
CC(C)C1N(C(=O)C[NH+]2CCC2)CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029655199	1	55	0.0	-71.92	405.86	5.31	-66.61
CC(C)C1N(C(=O)C(C)[NH+]2CCC2)CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029655217	1	58	0.0	-70.07	426.42	6.09	-63.98
C[N@@H+]1CCCC1C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029655403	0	42	0.0	-69.90	340.76	1.19	-68.71
C[N@H+]1CCCC1C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029655403	1	42	0.0	-70.10	341.16	1.10	-69.00
C[N@@H+]1CCOC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029655427	1	43	0.0	-78.18	358.56	1.01	-77.17
C[N@H+]1CCOC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029655427	1	43	0.0	-78.34	358.11	1.02	-77.32
CC(C)C1=[NH+]C=CN1CCC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029655629	1	49	0.0	-65.93	406.44	3.79	-62.14
CC(C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300029655637	0	51	0.0	-68.33	387.85	3.31	-65.02
CC(C)[N@@H+]1CCCCC1C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029655640	0	51	0.0	-65.12	394.14	3.13	-61.99
CC(C)[N@H+]1CCCCC1C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029655640	1	51	0.0	-65.95	388.00	3.21	-62.74
CC(C)[N@@H+]1CCCC1C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029655676	0	48	0.0	-66.75	380.08	2.66	-64.09
CC(C)[N@H+]1CCCC1C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029655676	1	48	0.0	-66.72	380.11	2.66	-64.06
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@@H+]2C1	REAL300029655706	0	49	0.0	-70.15	388.54	3.40	-66.75
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@H+]2C1	REAL300029655706	1	49	0.0	-71.04	388.70	3.31	-67.73
CC(C)C1=[NH+]C=CN1CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029655746	1	46	0.0	-67.01	386.78	3.29	-63.72
CC1=[NH+]C=CN1CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029655808	1	40	0.0	-68.50	350.56	2.17	-66.33
CC(C[NH+]1CCOCC1)C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029655810	0	49	0.0	-73.14	392.39	1.38	-71.76
O=C(CCC[NH+]1CCCCC1)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029655833	0	51	0.0	-71.94	406.08	3.84	-68.10
CC(C)(C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029655874	0	51	0.0	-67.30	390.48	3.52	-63.78
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+](C2CCCCC2)C1	REAL300029655877	0	55	0.0	-70.44	426.57	4.59	-65.85
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+](C2CCCCC2)C1	REAL300029655877	1	55	0.0	-71.49	427.60	4.55	-66.94
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+]2CCC1CC2	REAL300029655895	0	46	0.0	-73.16	362.28	2.45	-70.71
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC2CCC[N@@H+]21	REAL300029655962	0	49	0.0	-65.05	385.68	3.39	-61.66
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC2CCC[N@H+]21	REAL300029655962	1	49	0.0	-64.72	385.56	3.45	-61.27
C[NH+](C)CCN1C=C(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300029655965	0	48	0.0	-79.62	405.45	2.04	-77.58
C[NH+](C)CCN1C=CC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029655982	0	48	0.0	-79.04	405.72	2.14	-76.90
C[C@@H]1[C@H](C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029655989	0	45	0.0	-72.67	357.88	1.58	-71.09
C[C@@H]1[C@H](C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029655989	1	45	0.0	-72.50	363.52	1.88	-70.62
CCC1=[NH+]C=CN1C(C)CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029655993	1	49	0.0	-66.02	406.99	3.84	-62.18
CC[C@@H]1[C@@H](C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029655996	0	48	0.0	-71.47	378.15	2.31	-69.16
CC[C@@H]1[C@@H](C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029655996	1	48	0.0	-70.98	383.55	2.63	-68.35
CC[N@@H+]1CCOC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029656026	1	46	0.0	-71.16	369.30	1.56	-69.60
CC[N@H+]1CCOC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029656026	1	46	0.0	-72.13	369.27	1.56	-70.57
CC[NH+](CC)CC(F)C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029656102	0	47	0.0	-70.77	380.30	2.38	-68.39
C[NH+](C)CC1=C(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)SC=C1	REAL300029656103	0	45	0.0	-67.14	386.68	3.23	-63.91
CC1CCC(C)[NH+]1CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029656232	0	48	0.0	-68.07	377.86	2.56	-65.51
O=C(CCC[NH+]1CCCC1)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029656243	0	48	0.0	-71.75	390.86	3.17	-68.58
C[NH+](C)CC1=CC=CC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029656244	0	48	0.0	-75.33	399.31	4.04	-71.29
C#CC[NH+]1CCC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029656254	0	47	0.0	-74.81	390.26	3.45	-71.36
O=C(CC[NH+]1CCCCC1)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029656256	0	48	0.0	-71.77	384.58	3.04	-68.73
C[NH+](C)CC1=CC=CC=C1C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029656260	0	48	0.0	-66.42	391.88	4.35	-62.07
CC[N@@H+]1CCCCC1C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029656272	0	48	0.0	-66.80	380.91	2.80	-64.00
CC[N@H+]1CCCCC1C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029656272	1	48	0.0	-67.97	371.51	2.65	-65.32
CC(C)C(C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029656273	0	54	0.0	-67.04	410.33	4.73	-62.31
C[NH+](C)C(C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029656277	1	48	0.0	-70.24	395.38	4.05	-66.19
CC(C)C[N@@H+]1CCC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029656304	0	51	0.0	-71.05	407.21	3.59	-67.46
CC(C)C[N@H+]1CCC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029656304	1	51	0.0	-71.34	407.00	3.59	-67.75
C[NH+](C)C1(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300029656308	0	45	0.0	-71.04	353.55	2.21	-68.83
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@@H+]1C1CCOCC1	REAL300029656311	0	53	0.0	-71.46	406.00	2.30	-69.16
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@H+]1C1CCOCC1	REAL300029656311	1	53	0.0	-70.72	412.41	2.14	-68.58
C[NH+](C)C(CN1C=CC=N1)C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029656313	1	48	0.0	-74.06	397.26	2.52	-71.54
CC(C)[N@@H+]1CCCC1CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029656320	0	51	0.0	-65.17	390.23	3.17	-62.00
CC(C)[N@H+]1CCCC1CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029656320	1	51	0.0	-69.12	400.57	3.19	-65.93
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@@H+]1C1CCCC1	REAL300029656321	0	52	0.0	-68.90	397.16	3.91	-64.99
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@H+]1C1CCCC1	REAL300029656321	1	52	0.0	-69.00	398.57	4.02	-64.98
CC(C)[C@@H](C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029656351	0	47	0.0	-69.42	371.30	2.74	-66.68
C[N@H+](CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029656424	0	45	0.0	-69.68	367.23	2.53	-67.15
C[N@@H+](CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029656424	1	45	0.0	-69.80	367.37	2.55	-67.25
CC(C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300029656529	0	51	0.0	-65.67	391.41	2.90	-62.77
CN(CCC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300029656614	0	47	0.0	-68.14	395.77	2.31	-65.83
C[N@@H+]1CCCC1CCC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029656639	0	48	0.0	-72.07	388.55	3.05	-69.02
C[N@H+]1CCCC1CCC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029656639	1	48	0.0	-70.97	383.16	2.64	-68.33
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[NH+](CCC1)C2	REAL300029656656	0	49	0.0	-72.03	378.42	2.83	-69.20
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC2CCCC[N@@H+]21	REAL300029656664	0	49	0.0	-65.97	389.02	3.50	-62.47
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC2CCCC[N@H+]21	REAL300029656664	1	49	0.0	-66.07	388.57	3.49	-62.58
CC(C)(C[NH+]1CCOCC1)C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029656676	0	52	0.0	-70.11	401.54	1.65	-68.46
CC[NH+](CC)CC1=CC=C(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029656693	0	51	0.0	-73.50	416.86	3.54	-69.96
O=C(CCCC[NH+]1CCCC1)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029656698	0	51	0.0	-72.33	412.05	3.87	-68.46
C[N@H+](CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029656701	1	48	0.0	-75.48	397.79	4.14	-71.34
C[N@@H+](CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029656701	1	48	0.0	-75.39	397.84	4.15	-71.24
C[NH+]1CCC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029656719	0	45	0.0	-73.82	365.59	2.30	-71.52
C[NH+](C)CC1=CC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300029656792	1	44	0.0	-80.42	380.15	1.67	-78.75
CC1=C(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300029656794	0	43	0.0	-71.45	365.22	4.42	-67.03
C[N@@H+]1CCCCC1C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029656853	1	45	0.0	-68.17	363.13	2.15	-66.02
C[N@H+]1CCCCC1C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029656853	1	45	0.0	-69.41	353.80	1.98	-67.43
CC(C)C[N@@H+]1CCCC1C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029656890	0	51	0.0	-68.56	399.72	3.22	-65.34
CC(C)C[N@H+]1CCCC1C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029656890	1	51	0.0	-67.93	405.77	3.75	-64.18
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN2C=[NH+]C=C2C=C1	REAL300029657079	0	40	0.0	-72.23	351.20	4.15	-68.08
CC1=[NH+]C=CN1CCCC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029657095	1	46	0.0	-69.12	392.00	3.54	-65.58
O=C(CCCC[NH+]1CCOCC1)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029657099	1	52	0.0	-75.39	419.39	2.16	-73.23
C[NH+](C)CC1=CC=C(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300029657105	0	48	0.0	-77.34	399.17	4.13	-73.21
O=C(CC[NH+]1CCOCC1)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029657106	1	46	0.0	-75.23	375.99	0.56	-74.67
C[NH+](C)C(C)(C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029657128	0	51	0.0	-71.95	396.53	4.10	-67.85
CCC[NH+](CCC)CCCC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029657136	0	56	0.0	-72.53	439.22	4.47	-68.06
CC[N@H+](C)C(C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029657137	0	51	0.0	-68.05	413.48	4.77	-63.28
CC[N@@H+](C)C(C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029657137	1	51	0.0	-68.72	414.25	4.75	-63.97
CC1=C[NH+]=CN1CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029657164	1	40	0.0	-70.71	349.74	2.94	-67.77
O=C(CN1C=[NH+]C2=C1CCCC2)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029657178	1	47	0.0	-69.81	392.72	4.62	-65.19
C[NH+](C)CC1(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCCC1	REAL300029657226	0	54	0.0	-72.16	409.52	4.03	-68.13
C[NH+](C)CCC1=CC=CC=C1C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029657227	0	51	0.0	-69.47	410.47	4.86	-64.61
C[N@H+](CCC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300029657234	0	54	0.0	-73.06	419.14	4.15	-68.91
C[N@@H+](CCC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300029657234	1	54	0.0	-72.95	419.14	4.15	-68.80
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[NH+]1CCC2	REAL300029657240	0	46	0.0	-68.31	365.73	2.54	-65.77
C[NH+](C)C1CCCC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029657284	0	51	0.0	-68.57	393.01	3.23	-65.34
C[N@@H+]1CCC(CC(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029657291	0	45	0.0	-73.02	368.02	2.22	-70.80
C[N@H+]1CCC(CC(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029657291	1	45	0.0	-73.30	366.87	2.22	-71.08
CN(C)C1=CC=[NH+]C=C1C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029657305	0	44	0.0	-74.29	372.05	1.46	-72.83
CCC(C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029657311	0	44	0.0	-69.26	351.38	1.55	-67.71
C[NH+](C)C1(CC(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029657336	0	51	0.0	-72.84	384.97	2.99	-69.85
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC2=C[NH+]=CN2C=C1	REAL300029657415	1	40	0.0	-74.54	351.47	4.17	-70.37
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300029657464	1	43	0.0	-78.95	380.84	1.99	-76.96
C[NH+](C)CCCCC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029657499	0	47	0.0	-73.50	386.49	2.69	-70.81
CC(C)C(C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029657524	0	47	0.0	-69.58	370.65	2.72	-66.86
CCC[N@H+](C)CCC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029657526	0	47	0.0	-72.86	382.62	2.59	-70.27
CCC[N@@H+](C)CCC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029657526	1	47	0.0	-72.95	382.63	2.59	-70.36
CCC[N@H+](C)CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029657533	0	44	0.0	-71.47	360.26	2.04	-69.43
CCC[N@@H+](C)CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029657533	1	44	0.0	-71.61	360.36	1.95	-69.66
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@H+](C1)CCC2	REAL300029657566	0	46	0.0	-74.04	362.14	1.96	-72.08
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@@H+](C1)CCC2	REAL300029657566	1	46	0.0	-71.66	362.91	1.87	-69.79
C[N@@H+]1CCC[C@@H]1C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029657642	0	42	0.0	-70.21	341.07	1.19	-69.02
C[N@H+]1CCC[C@@H]1C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029657642	1	42	0.0	-68.38	347.48	1.69	-66.69
CC1CC2CCC(C(=O)NCC3(F)CN(C(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300029657672	0	52	0.0	-68.66	409.34	3.98	-64.68
CC1CC2CCC(C(=O)NCC3(F)CN(C(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300029657672	1	52	0.0	-69.18	408.83	3.89	-65.29
CCCCCC[N@H+](C)CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029657732	0	53	0.0	-72.64	424.76	4.39	-68.25
CCCCCC[N@@H+](C)CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029657732	1	53	0.0	-72.75	424.86	4.31	-68.44
CC[NH+](CC)C(C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300029657744	0	53	0.0	-66.44	400.69	3.88	-62.56
CC[NH+](CC)CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029657757	0	44	0.0	-69.96	352.32	1.64	-68.32
CCC[N@@H+]1CCCC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029657792	0	51	0.0	-66.68	398.19	3.79	-62.89
CCC[N@H+]1CCCC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029657792	1	51	0.0	-70.83	404.47	3.59	-67.24
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC[N@@H+]1C1CCCC1	REAL300029657805	0	55	0.0	-65.79	417.90	4.41	-61.38
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC[N@H+]1C1CCCC1	REAL300029657805	1	55	0.0	-66.46	413.69	4.59	-61.87
CC(C)[N@@H+]1CCOC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029657818	0	49	0.0	-74.57	393.20	2.24	-72.33
CC(C)[N@H+]1CCOC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029657818	1	49	0.0	-69.83	385.58	2.03	-67.80
CC1CC[NH+](CC(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029657862	0	48	0.0	-71.68	383.69	3.06	-68.62
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300029657896	1	43	0.0	-79.26	380.44	1.99	-77.27
C[NH+]1CCC(OCC(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029657906	0	49	0.0	-76.67	400.98	2.73	-73.94
C[NH+](C)CC1(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029657926	0	45	0.0	-73.31	367.94	2.52	-70.79
CC1=[NH+]C=C2CCC(C(=O)NCC3(F)CN(C(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300029657927	1	47	0.0	-65.70	388.66	3.37	-62.33
CC(C)[NH+]1CCC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029658039	0	51	0.0	-71.38	396.29	3.26	-68.12
C[NH+]1CCC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029658071	0	45	0.0	-73.82	365.59	2.30	-71.52
CC(C)[C@H](C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029658094	0	47	0.0	-69.16	367.77	2.51	-66.65
CCC(C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029658134	0	50	0.0	-66.03	386.99	2.93	-63.10
CC[N@H+](C)CCC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029658238	0	44	0.0	-72.48	360.82	1.77	-70.71
CC[N@@H+](C)CCC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029658238	1	44	0.0	-72.27	361.12	1.86	-70.41
CC1CCC[N@@H+]1CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029658327	0	45	0.0	-68.41	359.44	1.96	-66.45
CC1CCC[N@H+]1CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029658327	1	45	0.0	-68.41	359.43	1.96	-66.45
CC1CC[N@H+](CC(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029658330	0	45	0.0	-70.62	366.26	2.37	-68.25
CC1CC[N@@H+](CC(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029658330	1	45	0.0	-70.57	366.47	2.35	-68.22
CC(C)(C)[N@@H+]1CCC(F)(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029658331	0	51	0.0	-68.07	402.51	2.87	-65.20
CC(C)(C)[N@H+]1CCC(F)(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029658331	1	51	0.0	-67.96	402.95	2.87	-65.09
CC1=[NH+]C=C2CC(C(=O)NCC3(F)CN(C(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300029658333	1	47	0.0	-67.74	390.39	3.30	-64.44
C[NH+](C)CCC1=CC=C(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300029658335	0	51	0.0	-78.28	421.67	4.97	-73.31
CC1(C)CC[N@H+](CC(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029658337	0	48	0.0	-70.78	385.76	2.83	-67.95
CC1(C)CC[N@@H+](CC(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029658337	1	48	0.0	-70.75	385.62	2.82	-67.93
C[N@H+](CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029658338	0	50	0.0	-71.15	390.76	3.04	-68.11
C[N@@H+](CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029658338	1	50	0.0	-70.87	390.81	3.19	-67.68
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029658339	0	51	0.0	-75.66	420.17	5.08	-70.58
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029658339	1	51	0.0	-75.75	420.17	5.08	-70.67
CC[C@@H](C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029658351	0	44	0.0	-68.68	351.27	1.66	-67.02
CC(COCC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300029658359	0	52	0.0	-70.03	419.71	3.32	-66.71
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[NH+](CC2CC2)CC1	REAL300029658476	0	52	0.0	-73.96	414.90	4.42	-69.54
C[NH+]1CCC(O)(CC(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029658647	0	49	0.0	-73.64	391.68	0.88	-72.76
COCC[N@@H+]1CCCC1CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029658656	0	52	0.0	-70.89	410.00	1.89	-69.00
COCC[N@H+]1CCCC1CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029658656	1	52	0.0	-70.15	419.06	2.01	-68.14
C[NH+](C)CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029658664	0	38	0.0	-72.05	321.13	0.56	-71.49
O=C(C[NH+]1CCC(CO)CC1)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029658670	1	49	0.0	-72.97	394.82	-0.18	-73.15
O=C(C[NH+]1CCCCCC1)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029658674	0	48	0.0	-71.10	372.21	2.61	-68.49
CN1C=C[N+](CC(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029658679	0	40	0.0	-69.50	352.36	4.07	-65.43
C[N@@H+]1CCCC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029658692	0	45	0.0	-71.93	365.28	2.19	-69.74
C[N@H+]1CCCC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029658692	1	45	0.0	-67.21	359.00	2.48	-64.73
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@@H+]1C1CC1	REAL300029658697	0	46	0.0	-66.52	378.21	3.06	-63.46
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@H+]1C1CC1	REAL300029658697	1	46	0.0	-66.47	373.59	2.92	-63.55
CC(C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029658738	1	42	0.0	-69.30	351.15	1.49	-67.81
CCC(CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029658750	0	50	0.0	-75.38	395.56	3.17	-72.21
C[NH+](C)CC(C)(C)C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029658759	0	47	0.0	-69.31	370.27	2.41	-66.90
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC(C1)C[N@@H+]2C1CC1	REAL300029658783	1	47	0.0	-66.48	377.69	3.17	-63.31
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC(C1)C[N@H+]2C1CC1	REAL300029658783	1	47	0.0	-67.56	378.61	3.88	-63.68
C[N@H+](CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029658813	0	42	0.0	-68.74	350.30	2.04	-66.70
C[N@@H+](CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029658813	1	42	0.0	-68.68	350.30	2.04	-66.64
CC(C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300029658814	1	50	0.0	-72.04	394.29	0.46	-71.58
C[NH+]1CC(CC(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029658850	0	42	0.0	-72.40	352.45	1.46	-70.94
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+]1C1CCCC1	REAL300029658854	0	49	0.0	-70.07	393.48	3.60	-66.47
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+]1C1CCCC1	REAL300029658854	1	49	0.0	-70.47	391.34	3.34	-67.13
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029658864	1	48	0.0	-68.82	364.67	2.11	-66.71
CC(C)(C)[N@H+]1CCC1C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029658864	1	48	0.0	-67.61	366.40	1.68	-65.93
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300029658877	0	48	0.0	-72.04	394.80	1.16	-70.88
C[C@@H](C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029658881	0	41	0.0	-69.59	339.14	1.03	-68.56
CCC1CCC[N@H+](CC(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029658940	0	51	0.0	-71.41	402.11	3.69	-67.72
CCC1CCC[N@@H+](CC(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029658940	1	51	0.0	-71.31	402.20	3.75	-67.56
C[NH+](C)CC1=CC=C(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029658950	0	46	0.0	-76.86	387.66	2.00	-74.86
C[NH+]1C2CCC1CC(CC(=O)NCC1(F)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029658967	0	52	0.0	-71.82	386.82	3.00	-68.82
C[NH+](C)C(CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029658974	0	51	0.0	-70.10	409.49	4.57	-65.53
[NH2+]=C1SC=CN1CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659022	0	38	0.0	-67.78	348.20	0.74	-67.04
C[N@H+](CCO)CCC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659036	0	45	0.0	-72.34	371.48	-1.36	-73.70
C[N@@H+](CCO)CCC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659036	1	45	0.0	-71.88	371.43	-1.38	-73.26
C[C@@H](C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029659037	0	41	0.0	-69.59	339.14	1.03	-68.56
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659042	1	45	0.0	-69.37	353.79	1.98	-67.39
C[N@H+]1CCCC[C@@H]1C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659042	1	45	0.0	-68.29	363.00	2.23	-66.06
CC1CN2CC[N@@H+]1CC2C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659053	0	48	0.0	-73.59	373.89	-0.41	-74.00
CC1CN2CC[N@H+]1CC2C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659053	1	48	0.0	-72.70	374.00	-0.46	-73.16
COC1C[N@@H+]2CCCC2(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029659108	0	50	0.0	-70.20	398.69	1.60	-68.60
COC1C[N@H+]2CCCC2(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029659108	1	50	0.0	-70.02	399.81	1.65	-68.37
O=C(CC1=CC2=C[NH+]=CN2C=C1)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659126	0	43	0.0	-71.95	375.53	4.73	-67.22
C[N@H+](CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029659163	0	46	0.0	-76.81	380.38	2.88	-73.93
C[N@@H+](CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029659163	1	46	0.0	-76.76	380.37	2.86	-73.90
C[NH+](C)CC1=CC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC=N1	REAL300029659208	1	47	0.0	-72.69	395.31	2.20	-70.49
C[N@@H+]1CCC(=CC(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029659210	0	43	0.0	-74.76	359.89	2.18	-72.58
C[N@H+]1CCC(=CC(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029659210	1	43	0.0	-74.89	359.89	2.16	-72.73
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+](C2CCCCC2)C1	REAL300029659241	0	52	0.0	-71.51	412.53	4.00	-67.51
C[NH+](C)CCOCC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659262	0	45	0.0	-72.04	376.99	1.62	-70.42
CCCCC[N@H+](C)CCC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659270	0	53	0.0	-74.10	425.32	4.07	-70.03
CCCCC[N@@H+](C)CCC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659270	1	53	0.0	-73.89	425.63	4.17	-69.72
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029659282	0	49	0.0	-71.86	399.95	2.59	-69.27
C=CCC(C)(C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029659294	0	48	0.0	-65.95	376.19	2.60	-63.35
C[S+](C)CCC(O)C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659299	0	44	0.0	-71.41	385.58	0.23	-71.18
CN1CC(O)CC1(C)C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659342	0	46	0.0	-72.42	369.54	-1.36	-73.78
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659342	1	46	0.0	-73.44	368.69	-0.91	-74.35
C[N@H+]1CC(O)CC1(C)C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659342	1	46	0.0	-73.44	368.69	-0.91	-74.35
CN1CC[N@H+](C)CC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029659357	0	50	0.0	-70.61	391.09	0.82	-69.79
CN1CC[N@@H+](C)CC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029659357	1	50	0.0	-70.61	391.09	0.82	-69.79
CC(C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)N1CCCC(O)C1	REAL300029659358	0	49	0.0	-68.54	391.91	-0.47	-69.01
CC(C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300029659358	1	49	0.0	-68.77	391.60	-0.52	-69.29
CC(C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300029659358	1	49	0.0	-68.77	391.60	-0.52	-69.29
O=C(CN1CCC(CO)CC1)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659376	0	49	0.0	-72.97	394.82	-0.18	-73.15
O=C(C[NH+]1CCC(CO)CC1)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659376	1	49	0.0	-72.97	394.82	-0.18	-73.15
C[N@@H+]1CCCC(O)(CC(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029659387	0	49	0.0	-71.33	378.78	0.89	-70.44
C[N@H+]1CCCC(O)(CC(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029659387	1	49	0.0	-71.33	378.78	0.89	-70.44
NC(=O)C1CCN(CC(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029659397	0	49	0.0	-83.82	398.75	-0.88	-84.70
NC(=O)C1CC[NH+](CC(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029659397	1	49	0.0	-83.82	398.75	-0.88	-84.70
CN(CCO)CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659423	0	42	0.0	-71.93	349.22	-2.02	-73.95
C[N@H+](CCO)CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659423	1	42	0.0	-71.38	348.89	-1.93	-73.31
C[N@@H+](CCO)CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659423	1	42	0.0	-71.38	348.89	-1.93	-73.31
C[NH+]1C2CCC1CC(=CC(=O)NCC1(F)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029659457	0	50	0.0	-71.50	394.07	3.56	-67.94
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[N@@H+]2CCN1CCC2	REAL300029659462	0	48	0.0	-76.79	367.82	0.44	-76.35
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[N@H+]2CCN1CCC2	REAL300029659462	1	48	0.0	-76.79	367.82	0.44	-76.35
CC[N@@H+]1CCCC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029659473	0	48	0.0	-70.34	382.94	2.85	-67.49
CC[N@H+]1CCCC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029659473	1	48	0.0	-70.34	382.94	2.85	-67.49
CC(CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029659475	0	47	0.0	-73.00	378.43	2.57	-70.43
CC[N@H+](C)CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659493	0	41	0.0	-71.23	338.86	1.22	-70.01
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@@H+]1CCCC2	REAL300029659525	0	49	0.0	-66.07	375.51	3.12	-62.95
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@H+]1CCCC2	REAL300029659525	1	49	0.0	-66.07	375.51	3.12	-62.95
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@@H+]1CC=CC2	REAL300029659535	0	47	0.0	-68.39	367.31	3.09	-65.30
CC[N@H+](CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029659568	0	45	0.0	-68.59	367.39	2.62	-65.97
CC[NH+](CC)CCC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659593	0	47	0.0	-71.71	374.73	2.20	-69.51
O=C(CCCC[NH+]1CCCCC1)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659640	0	54	0.0	-72.37	427.72	4.57	-67.80
CC1(O)CCN(CC(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029659678	0	46	0.0	-71.56	377.45	-0.95	-72.51
CC1(O)CC[N@H+](CC(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029659678	1	46	0.0	-71.61	377.71	-1.02	-72.63
CC1(O)CC[N@@H+](CC(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029659678	1	46	0.0	-71.61	377.71	-1.02	-72.63
C[NH+](C)CC=CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659691	0	42	0.0	-75.24	356.69	1.77	-73.47
CC(OCC[NH+](C)C)C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659722	0	48	0.0	-72.07	396.39	2.30	-69.77
C[NH+](C)CCOCCC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659735	0	48	0.0	-71.22	397.95	1.36	-69.86
COCCN(C)CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659736	0	45	0.0	-71.27	371.15	0.47	-70.80
COCC[N@H+](C)CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659736	1	45	0.0	-71.97	371.47	0.38	-71.59
COCC[N@@H+](C)CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659736	1	45	0.0	-71.97	371.47	0.38	-71.59
COCCCC[N@H+](C)CCC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659774	0	54	0.0	-76.57	437.80	2.46	-74.11
COCCCC[N@@H+](C)CCC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659774	1	54	0.0	-76.57	437.80	2.46	-74.11
C[NH+](C)C1(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029659802	0	48	0.0	-67.38	369.32	2.83	-64.55
CC(CCC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029659805	0	47	0.0	-73.37	374.48	2.29	-71.08
CC(C)[N@@H+]1CCCC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029659832	0	51	0.0	-68.80	399.93	3.43	-65.37
CC(C)[N@H+]1CCCC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029659832	1	51	0.0	-68.80	399.93	3.43	-65.37
CN1C=CN=C1N1CCC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029659833	0	49	0.0	-64.83	396.76	2.47	-62.36
CN1C=C[NH+]=C1N1CCC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029659833	1	49	0.0	-64.83	396.76	2.47	-62.36
CC(C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300029659840	0	51	0.0	-71.04	416.03	4.64	-66.40
O=C(C[N@H+]1CCCC1CO)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659849	1	46	0.0	-70.58	370.85	-1.33	-71.91
O=C(C[N@@H+]1CCCC1CO)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659849	1	46	0.0	-70.00	374.33	-0.82	-70.82
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@@H+]2C1	REAL300029659882	0	49	0.0	-70.15	388.54	3.40	-66.75
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@H+]2C1	REAL300029659882	1	49	0.0	-71.04	388.70	3.31	-67.73
C[NH+]1CCC(C)(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029659893	0	48	0.0	-70.53	378.27	2.71	-67.82
C[NH+](C)CC1=CNC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029659900	0	46	0.0	-74.41	387.52	1.82	-72.59
CC(C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300029659922	1	49	0.0	-71.38	391.92	-0.47	-71.85
C#CC1(O)CC[NH+](C(C)C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029659931	1	51	0.0	-71.03	414.85	0.41	-70.62
C=CCC(C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029659943	0	45	0.0	-69.66	367.34	2.23	-67.43
C[NH+](C)C12CCC(C(=O)NCC3(F)CN(C(=O)C4=CC(=O)[N-]O4)C3)(CC1)CC2	REAL300029659956	0	55	0.0	-73.80	410.87	3.84	-69.96
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659964	0	48	0.0	-68.53	386.58	2.70	-65.83
C[N@H+]1CC(C)(C)CC1C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659964	1	48	0.0	-68.66	386.41	2.79	-65.87
C[NH+](C)CCCCCC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659969	0	50	0.0	-73.19	407.99	3.48	-69.71
O=C(C[NH+]1CC2CC2C1)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659981	1	43	0.0	-71.29	356.46	2.44	-68.85
CC1C[N@@H+](C2CCC2C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCO1	REAL300029660002	0	53	0.0	-69.42	416.20	2.99	-66.43
CC1C[N@H+](C2CCC2C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCO1	REAL300029660002	1	53	0.0	-71.43	424.97	2.48	-68.95
CC1C[N@@H+]2CCN1C(C(=O)NCC1(F)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029660030	0	48	0.0	-71.26	366.67	0.29	-70.97
CC1C[N@H+]2CCN1C(C(=O)NCC1(F)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029660030	1	48	0.0	-75.99	373.66	-0.39	-76.38
CCCC(C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029660032	0	47	0.0	-69.96	372.75	2.31	-67.65
C[NH+](C)C(C)(C)C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029660038	0	44	0.0	-70.54	348.83	1.65	-68.89
CC[NH+](CC)CCSCC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029660087	0	51	0.0	-74.22	419.27	3.58	-70.64
C[N@@H+]1CCCCC1C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029660099	1	45	0.0	-68.17	363.13	2.15	-66.02
C[N@H+]1CCCCC1C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029660099	1	45	0.0	-69.41	353.80	1.98	-67.43
C[N@H+]1CC=C(CC(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029660161	0	46	0.0	-72.11	379.88	2.89	-69.22
C[N@@H+]1CC=C(CC(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029660161	1	46	0.0	-70.93	379.88	2.88	-68.05
O=C(CC1([NH+]2CCCC2)CC1)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029660174	0	49	0.0	-68.12	386.25	3.30	-64.82
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1(C[NH+]2CCCC2)CCCC1	REAL300029660201	0	55	0.0	-66.54	415.28	4.78	-61.76
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029660241	0	54	0.0	-73.80	403.39	3.32	-70.48
C[N@H+]1CCCC(C(C)(C)C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029660241	1	54	0.0	-73.80	403.39	3.32	-70.48
CN(C)CC1=CC=C(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029660246	0	45	0.0	-75.42	385.56	2.44	-72.98
C[NH+](C)CC1=CC=C(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029660246	1	45	0.0	-75.42	385.56	2.44	-72.98
O=C(C=CC[NH+]1CCCC1)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029660273	0	46	0.0	-73.73	383.43	2.97	-70.76
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[NH+](C2CC2)CC1	REAL300029660305	0	49	0.0	-71.36	390.54	3.42	-67.94
C[N@@H+]1CC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(C(F)(F)F)C1	REAL300029660330	0	45	0.0	-79.01	374.24	2.59	-76.42
C[N@H+]1CC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(C(F)(F)F)C1	REAL300029660330	1	45	0.0	-79.01	374.24	2.59	-76.42
O=C(CC[NH+]1CCCC1)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029660336	0	45	0.0	-71.91	369.46	2.28	-69.63
CN1CC(N2CC(C(=O)NCC3(F)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2=O)C1	REAL300029660347	0	50	0.0	-74.40	409.64	1.36	-73.04
C[NH+]1CC(N2CC(C(=O)NCC3(F)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2=O)C1	REAL300029660347	1	50	0.0	-74.40	409.64	1.36	-73.04
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+]2CCN1CC2	REAL300029660398	0	45	0.0	-75.40	357.37	-0.88	-76.28
CN1CC2CC1(C(=O)NCC1(F)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029660409	0	43	0.0	-69.13	351.44	2.01	-67.12
C[N@@H+]1CC2CC1(C(=O)NCC1(F)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029660409	1	43	0.0	-70.11	350.92	1.92	-68.19
C[N@H+]1CC2CC1(C(=O)NCC1(F)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029660409	1	43	0.0	-70.11	350.92	1.92	-68.19
CC1=C(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C=NN1CC[NH+](C)C	REAL300029660425	0	51	0.0	-80.66	421.17	2.61	-78.05
O=C(C[N@@H+]1CC2CCC1C2)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029660428	0	46	0.0	-68.70	364.96	2.52	-66.18
CC(C)[NH+]1CCC(CC(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029660445	0	54	0.0	-69.13	418.24	4.11	-65.02
O=C(C=C1C[NH+]2CCC1CC2)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029660500	0	47	0.0	-70.40	377.27	2.94	-67.46
C[NH+](C)CC(C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029660558	0	51	0.0	-74.02	416.85	4.65	-69.37
CC(C[NH+](C)C)C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029660592	0	44	0.0	-68.46	358.40	1.96	-66.50
C[N@@H+]1CCCCC1CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029660704	0	48	0.0	-72.48	380.28	2.83	-69.65
C[N@H+]1CCCCC1CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029660704	1	48	0.0	-72.48	380.28	2.83	-69.65
CC1=C2C=C(C(=O)NCC3(F)CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=N1	REAL300029660727	0	43	0.0	-72.38	373.38	4.73	-67.65
CC1=C2C=C(C(=O)NCC3(F)CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029660727	1	43	0.0	-72.38	373.38	4.73	-67.65
CC(C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)N1CC(C)C1	REAL300029660728	0	45	0.0	-68.61	370.23	2.34	-66.27
CC(C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300029660728	1	45	0.0	-68.61	370.23	2.34	-66.27
C[NH+](C)CC(O)CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029660737	0	45	0.0	-75.75	373.83	-0.44	-76.19
CC1CN(C)CC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029660779	0	46	0.0	-72.66	372.20	1.60	-71.06
CC1C[N@H+](C)CC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029660779	1	46	0.0	-77.90	379.32	1.75	-76.15
CC1C[N@@H+](C)CC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029660779	1	46	0.0	-77.90	379.32	1.75	-76.15
O=C(CC[NH+]1CCC(O)CC1)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029660793	0	49	0.0	-75.53	395.66	-0.31	-75.84
CCC[N@@H+]1CCCCC1C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029660796	0	51	0.0	-67.26	402.01	3.56	-63.70
CC[NH+]1CCN(CCC(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029660801	0	53	0.0	-73.36	419.34	1.21	-72.15
CCN1CC[NH+](CCC(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029660801	1	53	0.0	-73.36	419.34	1.21	-72.15
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300029660804	0	52	0.0	-66.21	395.85	4.02	-62.19
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300029660804	1	52	0.0	-66.21	395.85	4.02	-62.19
CC(C)C[NH+]1CCC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029660858	0	54	0.0	-73.11	422.06	4.39	-68.72
C[NH+](C)C1CCN(CC(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029660891	0	53	0.0	-72.57	414.48	1.27	-71.30
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029660916	0	45	0.0	-71.18	370.77	2.36	-68.82
CC(CC[NH+](C)C)C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029660926	0	47	0.0	-72.91	380.77	2.43	-70.48
C[N@H+](CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029660964	0	49	0.0	-67.88	391.77	0.03	-67.85
C[N@@H+](CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029660964	1	49	0.0	-70.58	392.23	-0.18	-70.76
C[NH+](C)C(CC1=CC=CC=C1)C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029660980	0	51	0.0	-73.93	408.82	4.56	-69.37
C[NH+]1CCN(CC(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029660982	1	47	0.0	-72.26	380.16	0.07	-72.19
CC[NH+]1CCN(CC(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029660995	0	50	0.0	-71.11	397.40	0.70	-70.41
NC(=[NH2+])SCC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029661028	0	36	0.0	-72.13	329.05	-2.49	-74.62
CC[N@@H+]1CCOCC1CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029661083	0	49	0.0	-72.65	384.41	0.99	-71.66
C[NH+](C)CCC1(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029661105	0	54	0.0	-69.70	417.07	4.36	-65.34
CC1CCCC(C)[NH+]1CCC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029661107	0	54	0.0	-69.15	411.71	3.66	-65.49
C[NH+](C)C1CCC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029661110	0	51	0.0	-73.96	399.85	3.48	-70.48
C[NH+](C)CCC1(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029661111	0	48	0.0	-70.85	396.56	3.19	-67.66
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029661115	0	51	0.0	-69.50	393.51	3.30	-66.20
C[N@@H+]1CC=CCC1CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029661116	0	46	0.0	-66.66	366.89	2.56	-64.10
C[N@H+]1CC=CCC1CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029661116	1	46	0.0	-66.66	366.89	2.56	-64.10
C[C@@H](OCC[NH+](C)C)C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029661153	0	48	0.0	-70.64	396.69	2.39	-68.25
C[NH+]1C2CCC1CC(C(=O)NCC1(F)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029661197	0	49	0.0	-68.44	363.68	3.16	-65.28
C[NH+]1CCC(O)(C2(C(=O)NCC3(F)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029661325	0	53	0.0	-71.82	411.55	1.59	-70.23
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1(CC[NH+]2CCCCC2)CC1	REAL300029661354	0	55	0.0	-72.52	434.50	5.20	-67.32
CCC1C[NH+](CC(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029661383	1	45	0.0	-72.15	373.35	2.48	-69.67
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+](C2CCOCC2)C1	REAL300029661385	0	50	0.0	-75.56	404.24	1.57	-73.99
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1([NH+]2CCCC2)CCC1	REAL300029661387	0	49	0.0	-65.88	383.20	3.42	-62.46
C[N@H+]1CCC[C@H]1C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029661399	1	42	0.0	-69.82	341.03	1.19	-68.63
O=C(CC[N@@H+]1CCC(F)C1)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029661409	1	45	0.0	-76.47	375.20	2.31	-74.16
COC1CN(C)C(C)(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029661420	0	49	0.0	-70.45	391.12	1.01	-69.44
COC1C[N@H+](C)C(C)(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029661420	1	49	0.0	-71.31	388.61	1.57	-69.74
COC1C[N@@H+](C)C(C)(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029661420	1	49	0.0	-70.45	391.12	1.01	-69.44
O=C(CC[NH+]1CCCCCC1)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029661434	0	51	0.0	-73.22	395.05	3.26	-69.96
O=C(C[NH+]1CCCCC1)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029661438	1	45	0.0	-70.68	362.76	2.51	-68.17
CC1C(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029661448	0	45	0.0	-71.36	363.13	2.14	-69.22
CC1C(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029661448	1	45	0.0	-71.66	358.39	1.76	-69.90
C[N@@H+]1CCCCC1CCC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029661451	0	51	0.0	-70.61	402.31	3.54	-67.07
C[N@H+]1CCCCC1CCC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029661451	1	51	0.0	-70.72	402.62	3.55	-67.17
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+]2CCOCC12	REAL300029661496	0	47	0.0	-73.56	379.65	0.84	-72.72
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+]2CCOCC12	REAL300029661496	1	47	0.0	-74.19	379.67	0.86	-73.33
CC1=[NH+]C=C2C=CC(C(=O)NCC3(F)CN(C(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300029661505	0	43	0.0	-68.24	372.62	3.91	-64.33
CN1CCOCC1CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029661528	0	46	0.0	-69.37	364.16	0.31	-69.06
C[N@@H+]1CCOCC1CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029661528	1	46	0.0	-69.63	363.84	0.24	-69.39
C[N@H+]1CCOCC1CC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029661528	1	46	0.0	-69.37	364.16	0.31	-69.06
CC1=C(C)[NH+]=C(CCC(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029661542	1	46	0.0	-66.89	390.96	1.84	-65.05
C[NH+](C)CCC1=CC=CC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029661555	0	51	0.0	-76.52	421.79	4.87	-71.65
CC(C)C[N@@H+]1CCCC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029661564	0	54	0.0	-67.02	416.10	4.46	-62.56
CC(C)C[N@H+]1CCCC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029661564	1	54	0.0	-66.47	413.19	4.53	-61.94
C[N@H+]1CCCC1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029661727	1	42	0.0	-69.65	341.82	1.17	-68.48
CN1CCOC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029661752	0	43	0.0	-75.04	351.25	0.83	-74.21
C[N@@H+]1CCOC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029661752	1	43	0.0	-79.72	358.17	1.06	-78.66
C[N@H+]1CCOC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029661752	1	43	0.0	-75.04	351.25	0.83	-74.21
CC1=[NH+]C=CN1CCCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029661926	1	46	0.0	-68.49	394.00	3.57	-64.92
O=C(CCCC[NH+]1CCOCC1)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029661930	1	52	0.0	-74.64	421.29	2.26	-72.38
C[NH+](C)CC1=CC=C(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300029661936	0	48	0.0	-77.23	396.63	3.70	-73.53
O=C(CC[NH+]1CCOCC1)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029661937	1	46	0.0	-73.76	378.29	0.68	-73.08
C[NH+](C)C(C)(C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029661959	0	51	0.0	-70.09	391.59	4.03	-66.06
CCC[NH+](CCC)CCCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029661967	0	56	0.0	-71.25	445.58	4.88	-66.37
CC[N@H+](C)C(C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029661968	0	51	0.0	-64.24	415.81	4.86	-59.38
CC[N@@H+](C)C(C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029661968	1	51	0.0	-68.16	409.57	4.79	-63.37
O=C(NCC1(F)CN(C(=O)C23CCC[NH+]2CCC3)C1)C1=CC(=O)[N-]O1	REAL300029661989	0	46	0.0	-76.03	356.52	2.37	-73.66
O=C(NCC1(F)CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1)C1=CC(=O)[N-]O1	REAL300029662009	1	40	0.0	-75.15	349.07	3.83	-71.32
C[NH+](C)C1CCCC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029662099	0	51	0.0	-70.47	399.21	3.30	-67.17
C[N@@H+]1CCC(CC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029662106	0	45	0.0	-73.11	368.71	2.29	-70.82
C[N@H+]1CCC(CC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029662106	1	45	0.0	-72.75	369.69	2.33	-70.42
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029662120	0	44	0.0	-75.97	371.85	0.96	-75.01
CCC(C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029662126	0	44	0.0	-68.38	354.11	1.84	-66.54
O=C(NCC1(F)CN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)C1)C1=CC(=O)[N-]O1	REAL300029662136	1	43	0.0	-77.18	380.63	2.25	-74.93
CC1CC2CCC(C(=O)N3CC(F)(CNC(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300029662191	0	52	0.0	-67.77	408.60	3.78	-63.99
CC1CC2CCC(C(=O)N3CC(F)(CNC(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300029662191	1	52	0.0	-67.83	405.48	4.02	-63.81
C[NH+](C)CCCCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029662231	0	47	0.0	-72.84	388.39	2.81	-70.03
CC(C)C(C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029662258	0	47	0.0	-66.72	368.89	2.59	-64.13
CCC[N@H+](C)CCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029662260	0	47	0.0	-71.43	384.83	2.71	-68.72
CCC[N@@H+](C)CCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029662260	1	47	0.0	-71.84	384.61	2.63	-69.21
CCC[N@H+](C)CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029662267	0	44	0.0	-69.25	362.25	2.09	-67.16
CCC[N@@H+](C)CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029662267	1	44	0.0	-69.24	362.25	2.09	-67.15
O=C(NCC1(F)CN(C(=O)C23CC[N@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300029662300	0	46	0.0	-71.56	359.90	1.65	-69.91
O=C(NCC1(F)CN(C(=O)C23CC[N@@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300029662300	1	46	0.0	-76.70	357.32	1.63	-75.07
CCCCCC[N@H+](C)CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029662356	0	53	0.0	-70.44	426.75	4.43	-66.01
CCCCCC[N@@H+](C)CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029662356	1	53	0.0	-70.43	426.75	4.42	-66.01
CC[NH+](CC)C(C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300029662368	0	53	0.0	-64.37	403.48	3.49	-60.88
CC1CC[NH+](CC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029662416	0	48	0.0	-68.95	385.82	3.22	-65.73
O=C(NCC1(F)CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1)C1=CC(=O)[N-]O1	REAL300029662450	1	43	0.0	-78.25	377.50	1.86	-76.39
C[NH+]1CCC(OCC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029662460	0	49	0.0	-76.41	403.16	2.88	-73.53
O=C(NCC1(F)CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029662536	0	49	0.0	-68.21	390.26	3.37	-64.84
O=C(NCC1(F)CN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029662536	1	49	0.0	-67.21	389.86	3.42	-63.79
C[NH+](C)CC1(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029662557	0	45	0.0	-67.16	370.96	2.35	-64.81
CC1=[NH+]C=C2CCC(C(=O)N3CC(F)(CNC(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300029662558	1	47	0.0	-68.68	391.06	3.34	-65.34
CC(C)[NH+]1CCC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029662571	0	51	0.0	-71.60	396.04	3.06	-68.54
CC[N@H+](C)CCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029662611	0	44	0.0	-70.80	363.33	1.97	-68.83
CC[N@@H+](C)CCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029662611	1	44	0.0	-70.86	363.34	1.97	-68.89
CC(C)(C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029662654	0	51	0.0	-64.50	388.02	3.62	-60.88
O=C(NCC1(F)CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1)C1=CC(=O)[N-]O1	REAL300029662657	0	55	0.0	-69.41	428.04	4.62	-64.79
O=C(NCC1(F)CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1)C1=CC(=O)[N-]O1	REAL300029662657	1	55	0.0	-70.66	428.33	4.58	-66.08
O=C(NCC1(F)CN(C(=O)C2C[NH+]3CCC2CC3)C1)C1=CC(=O)[N-]O1	REAL300029662675	0	46	0.0	-71.96	361.40	2.32	-69.64
C[NH+]1CCC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029662780	0	45	0.0	-74.12	365.06	2.20	-71.92
CC(C)[C@H](C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029662803	0	47	0.0	-66.84	368.04	2.42	-64.42
O=C(NCC1(F)CN(C(=O)C2CC[NH+](CC3CC3)CC2)C1)C1=CC(=O)[N-]O1	REAL300029662911	0	52	0.0	-74.46	415.16	4.30	-70.16
CC[NH+](CC)CC(F)C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029662965	0	47	0.0	-70.42	381.38	2.42	-68.00
C[NH+](C)CC1=C(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)SC=C1	REAL300029662966	0	45	0.0	-64.19	384.00	3.02	-61.17
CC(C)C[N@@H+]1CCC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029663016	0	51	0.0	-69.86	406.99	3.62	-66.24
CC(C)C[N@H+]1CCC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029663016	1	51	0.0	-68.75	404.40	3.61	-65.14
C[NH+](C)C1(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300029663020	0	45	0.0	-71.76	353.87	1.94	-69.82
CCC(C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029663062	0	50	0.0	-63.81	387.53	2.94	-60.87
CC1CCC[N@@H+]1CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029663095	0	45	0.0	-66.17	361.35	2.06	-64.11
CC1CCC[N@H+]1CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029663095	1	45	0.0	-65.89	361.70	2.03	-63.86
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029663208	1	49	0.0	-64.15	408.70	3.89	-60.26
CC(C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300029663216	0	51	0.0	-65.71	393.10	3.12	-62.59
CC(C)[N@@H+]1CCCCC1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029663219	0	51	0.0	-63.90	387.30	3.03	-60.87
CC(C)[N@H+]1CCCCC1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029663219	1	51	0.0	-64.31	385.90	3.02	-61.29
CC(C)[N@@H+]1CCCC1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029663255	0	48	0.0	-66.73	374.15	3.04	-63.69
CC(C)[N@H+]1CCCC1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029663255	1	48	0.0	-64.67	382.58	2.78	-61.89
O=C(NCC1(F)CN(C(=O)C2CCC[N@@H+]2C2CCOCC2)C1)C1=CC(=O)[N-]O1	REAL300029663264	0	53	0.0	-68.62	412.10	2.19	-66.43
O=C(NCC1(F)CN(C(=O)C2CCC[N@H+]2C2CCOCC2)C1)C1=CC(=O)[N-]O1	REAL300029663264	1	53	0.0	-68.65	413.93	2.20	-66.45
C[NH+](C)C(CN1C=CC=N1)C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029663266	1	48	0.0	-76.34	395.52	2.48	-73.86
CC(C)[N@@H+]1CCCC1CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029663273	0	51	0.0	-62.45	394.20	2.81	-59.64
CC(C)[N@H+]1CCCC1CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029663273	1	51	0.0	-64.35	393.56	2.78	-61.57
O=C(NCC1(F)CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300029663274	0	52	0.0	-65.50	403.18	4.20	-61.30
O=C(NCC1(F)CN(C(=O)C2CCC[N@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300029663274	1	52	0.0	-65.89	405.27	4.14	-61.75
CC(C)[C@@H](C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029663304	0	47	0.0	-69.59	367.43	2.41	-67.18
CC1CC[N@H+](CC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029663342	0	45	0.0	-67.87	369.21	2.31	-65.56
CC1CC[N@@H+](CC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029663342	1	45	0.0	-68.32	368.36	2.41	-65.91
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029663343	0	51	0.0	-67.27	403.19	2.98	-64.29
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029663343	1	51	0.0	-64.44	403.41	2.97	-61.47
CC1=[NH+]C=C2CC(C(=O)N3CC(F)(CNC(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300029663345	1	47	0.0	-68.08	389.40	3.32	-64.76
C[NH+](C)CCC1=CC=C(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300029663347	0	51	0.0	-78.80	419.09	4.54	-74.26
CC1(C)CC[N@H+](CC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029663349	0	48	0.0	-68.29	388.47	2.99	-65.30
CC1(C)CC[N@@H+](CC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029663349	1	48	0.0	-68.65	387.93	2.92	-65.73
C[N@H+](CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029663350	0	50	0.0	-69.04	390.86	3.07	-65.97
C[N@@H+](CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029663350	1	50	0.0	-68.62	392.80	3.22	-65.40
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029663351	0	51	0.0	-73.35	422.16	5.11	-68.24
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029663351	1	51	0.0	-73.31	422.22	5.20	-68.11
CC[C@@H](C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029663363	0	44	0.0	-65.86	352.98	1.74	-64.12
CC(COCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300029663371	0	52	0.0	-68.34	421.66	3.46	-64.88
CN(CCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300029663556	0	47	0.0	-68.30	397.96	2.41	-65.89
CC1=[NH+]C=CN1CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029663698	1	40	0.0	-67.12	351.41	2.24	-64.88
CC(C[NH+]1CCOCC1)C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029663700	0	49	0.0	-75.95	395.46	1.33	-74.62
O=C(CCC[NH+]1CCCCC1)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029663723	0	51	0.0	-70.99	408.52	3.91	-67.08
C[NH+](C)CC1=CC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300029663749	1	44	0.0	-78.26	378.78	1.69	-76.57
CC1=C(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300029663751	0	43	0.0	-74.32	374.61	4.28	-70.04
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029663815	1	46	0.0	-65.36	388.83	3.40	-61.96
O=C(NCC1(F)CN(C(=O)C2CCCC3CCC[N@@H+]32)C1)C1=CC(=O)[N-]O1	REAL300029663880	0	49	0.0	-64.62	376.48	2.89	-61.73
O=C(NCC1(F)CN(C(=O)C2CCCC3CCC[N@H+]32)C1)C1=CC(=O)[N-]O1	REAL300029663880	1	49	0.0	-64.86	375.21	2.90	-61.96
CC[N@@H+]1CCOC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029663929	1	46	0.0	-68.05	366.82	1.51	-66.54
CC[N@H+]1CCOC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029663929	1	46	0.0	-68.12	366.45	1.49	-66.63
O=C(NCC1(F)CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300029664023	0	40	0.0	-71.65	348.78	3.82	-67.83
CC1=C[NH+]=CN1CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029664028	1	40	0.0	-68.84	351.72	2.97	-65.87
C[NH+](C)CCN1C=C(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300029664034	0	48	0.0	-79.03	402.52	1.92	-77.11
C[NH+](C)CCN1C=CC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029664051	0	48	0.0	-78.68	405.62	2.32	-76.36
C[C@@H]1[C@H](C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029664058	0	45	0.0	-70.18	360.22	2.07	-68.11
C[C@@H]1[C@H](C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029664058	1	45	0.0	-70.66	365.70	1.97	-68.69
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029664062	1	49	0.0	-64.40	409.19	3.95	-60.45
CC[C@@H]1[C@@H](C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029664065	0	48	0.0	-70.24	375.74	2.29	-67.95
CC[C@@H]1[C@@H](C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029664065	1	48	0.0	-69.84	383.87	2.58	-67.26
CC1CCC(C)[NH+]1CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029664097	0	48	0.0	-65.32	380.19	2.68	-62.64
O=C(CCC[NH+]1CCCC1)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029664108	0	48	0.0	-70.79	391.26	3.10	-67.69
C[NH+](C)CC1=CC=CC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029664109	0	48	0.0	-74.45	396.98	3.78	-70.67
C#CC[NH+]1CCC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029664120	0	47	0.0	-76.00	390.54	3.33	-72.67
O=C(CC[NH+]1CCCCC1)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029664122	0	48	0.0	-70.16	387.24	3.17	-66.99
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029664127	0	48	0.0	-61.94	392.73	3.96	-57.98
CC[N@@H+]1CCCCC1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029664139	0	48	0.0	-63.89	382.10	2.96	-60.93
CC[N@H+]1CCCCC1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029664139	1	48	0.0	-65.24	371.21	2.50	-62.74
CC(C)C(C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029664140	0	54	0.0	-66.06	410.18	4.29	-61.77
C[NH+](C)C(C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029664144	1	48	0.0	-68.09	393.51	3.98	-64.11
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029664154	1	47	0.0	-67.60	394.63	4.73	-62.87
C[NH+](C)CC1(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CCCCC1	REAL300029664203	0	54	0.0	-67.21	398.98	3.88	-63.33
C[NH+](C)CCC1=CC=CC=C1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029664204	0	51	0.0	-65.55	411.57	4.62	-60.93
C[N@H+](CCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300029664211	0	54	0.0	-71.23	421.66	4.34	-66.89
C[N@@H+](CCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300029664211	1	54	0.0	-71.72	421.44	4.28	-67.44
C[NH+](C)C1(CC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029664215	0	51	0.0	-72.25	386.50	3.12	-69.13
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)=NN1	REAL300029664232	1	49	0.0	-75.49	401.13	1.51	-73.98
C[N@H+]1CCCC1C1=CC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)=NN1	REAL300029664232	1	49	0.0	-74.75	399.22	1.32	-73.43
C[N@H+](CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029664507	0	45	0.0	-67.10	369.18	2.74	-64.36
C[N@@H+](CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029664507	1	45	0.0	-67.24	369.26	2.66	-64.58
CC(C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300029664549	0	51	0.0	-63.95	384.13	2.55	-61.40
CC[NH+](CC)CC1=CC=C(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029664566	0	51	0.0	-73.29	416.78	3.62	-69.67
O=C(CCCC[NH+]1CCCC1)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029664571	0	51	0.0	-71.45	414.35	4.00	-67.45
C[N@H+](CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029664574	1	48	0.0	-73.15	399.68	4.26	-68.89
C[N@@H+](CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029664574	1	48	0.0	-72.96	399.68	4.26	-68.70
C[NH+]1CCC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029664592	0	45	0.0	-74.12	365.06	2.20	-71.92
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029664678	0	42	0.0	-68.88	342.36	1.22	-67.66
C[N@H+]1CCC[C@@H]1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029664678	1	42	0.0	-66.62	345.92	1.63	-64.99
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029664703	1	44	0.0	-65.40	368.64	2.46	-62.94
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029664703	1	44	0.0	-67.13	372.33	2.85	-64.28
C[N@@H+]1CCCC1CCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029664714	0	48	0.0	-70.23	384.94	2.70	-67.53
C[N@H+]1CCCC1CCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029664714	1	48	0.0	-69.53	385.20	2.78	-66.75
O=C(NCC1(F)CN(C(=O)C23CCC[NH+](CCC2)C3)C1)C1=CC(=O)[N-]O1	REAL300029664731	0	49	0.0	-84.87	372.47	2.47	-82.40
O=C(NCC1(F)CN(C(=O)C2CCC3CCCC[N@@H+]32)C1)C1=CC(=O)[N-]O1	REAL300029664739	0	49	0.0	-64.64	383.13	3.10	-61.54
O=C(NCC1(F)CN(C(=O)C2CCC3CCCC[N@H+]32)C1)C1=CC(=O)[N-]O1	REAL300029664739	1	49	0.0	-63.78	390.00	3.64	-60.14
CCC[N@@H+]1CCCC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029664857	0	51	0.0	-67.26	397.34	3.65	-63.61
CCC[N@H+]1CCCC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029664857	1	51	0.0	-69.22	404.51	3.48	-65.74
O=C(NCC1(F)CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300029664870	0	55	0.0	-64.13	413.14	4.43	-59.70
O=C(NCC1(F)CN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300029664870	1	55	0.0	-63.84	419.96	4.55	-59.29
CC(C)[N@@H+]1CCOC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029664883	0	49	0.0	-75.98	392.53	2.28	-73.70
CC(C)[N@H+]1CCOC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029664883	1	49	0.0	-73.54	390.55	2.16	-71.38
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029664907	0	52	0.0	-70.10	400.02	1.48	-68.62
C[N@@H+]1CCCCC1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029664930	0	45	0.0	-66.97	353.08	1.89	-65.08
C[N@H+]1CCCCC1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029664930	1	45	0.0	-66.61	353.16	1.93	-64.68
CC(C)C[N@@H+]1CCCC1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029664968	0	51	0.0	-67.29	395.91	4.07	-63.22
CC(C)C[N@H+]1CCCC1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029664968	1	51	0.0	-67.58	400.76	3.29	-64.29
O=C(C[NH+]1CCC(CO)CC1)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029664991	1	49	0.0	-70.29	397.03	-0.10	-70.39
C[NH+]1C2CCC1CC(=CC(=O)N1CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029665040	0	50	0.0	-71.25	395.59	3.60	-67.65
CC1C(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029665062	0	45	0.0	-70.83	369.39	2.05	-68.78
CC1C(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029665062	1	45	0.0	-69.37	364.78	2.26	-67.11
C[N@@H+]1CCCCC1CCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029665066	0	51	0.0	-69.26	404.38	3.58	-65.68
C[N@H+]1CCCCC1CCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029665066	1	51	0.0	-69.99	404.05	3.58	-66.41
NC1=[NH+]C2=C(C=C1C(=O)N1CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C1)CCC2	REAL300029665113	1	45	0.0	-62.59	376.72	1.54	-61.05
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029665211	0	48	0.0	-65.32	362.13	1.78	-63.54
CC(C)(C)[N@H+]1CCC1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029665211	1	48	0.0	-65.59	384.20	2.37	-63.22
O=C(NCC1(F)CN(C(=O)C2CCN(C3=CC=[NH+]C=C3)C2)C1)C1=CC(=O)[N-]O1	REAL300029665233	0	48	0.0	-69.31	397.10	1.19	-68.12
C[C@@H](C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029665239	0	41	0.0	-68.34	340.66	1.11	-67.23
C[NH+](C)CC1=CC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)=CC=N1	REAL300029665262	1	47	0.0	-72.02	392.99	2.36	-69.66
C=CCC(C)(C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029665268	0	48	0.0	-66.53	367.25	2.64	-63.89
CC[NH+](CC)CCSCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029665307	0	51	0.0	-73.09	425.83	4.04	-69.05
NC1=C(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]C2=CC=CC=C21	REAL300029665308	1	44	0.0	-65.63	372.15	0.91	-64.72
O=C(CC[NH+]1CCCC1)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029665313	0	45	0.0	-70.26	371.57	2.47	-67.79
C[N@H+](CCO)CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029665323	1	42	0.0	-69.59	351.11	-1.90	-71.49
C[N@@H+](CCO)CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029665323	1	42	0.0	-69.69	350.90	-1.90	-71.59
O=C(NCC1(F)CN(C(=O)C2C[N@@H+]3CCN2CCC3)C1)C1=CC(=O)[N-]O1	REAL300029665374	0	48	0.0	-79.58	367.68	0.28	-79.30
O=C(NCC1(F)CN(C(=O)C2C[N@H+]3CCN2CCC3)C1)C1=CC(=O)[N-]O1	REAL300029665374	1	48	0.0	-75.35	365.64	0.23	-75.12
CC(C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300029665422	1	46	0.0	-69.35	376.45	2.40	-66.95
C[N@H+]1CC=C(CC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029665483	0	46	0.0	-70.67	381.97	3.09	-67.58
C[N@@H+]1CC=C(CC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029665483	1	46	0.0	-69.53	381.78	3.01	-66.52
C[NH+]1CC(N2CC(C(=O)N3CC(F)(CNC(=O)C4=CC(=O)[N-]O4)C3)CC2=O)C1	REAL300029665497	1	50	0.0	-72.89	410.48	1.42	-71.47
C[S+](C)CCC(O)C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029665505	0	44	0.0	-70.88	383.72	0.21	-70.67
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029665539	0	46	0.0	-68.01	358.98	-1.71	-69.72
C[N@H+]1CC(O)CC1(C)C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029665539	1	46	0.0	-72.13	363.90	-1.75	-73.88
CN1CC[N@H+](C)CC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029665558	0	50	0.0	-67.37	392.40	0.63	-66.74
CN1CC[N@@H+](C)CC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029665558	1	50	0.0	-70.07	396.56	0.32	-69.75
CC(C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300029665559	1	49	0.0	-65.66	391.39	-0.17	-65.83
CC(C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300029665559	1	49	0.0	-67.25	392.33	-0.17	-67.42
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029665597	0	45	0.0	-66.10	383.20	1.49	-64.61
C[N@@H+]1CCCC(O)(CC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029665607	0	49	0.0	-69.45	390.11	1.17	-68.28
C[N@H+]1CCCC(O)(CC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029665607	1	49	0.0	-67.05	393.56	1.12	-65.93
CC1C[NH+](CC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029665614	1	42	0.0	-69.07	354.38	1.86	-67.21
CC[N@@H+]1CCCC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029665623	0	48	0.0	-64.33	376.41	3.01	-61.32
CC[N@H+]1CCCC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029665623	1	48	0.0	-68.52	382.70	2.82	-65.70
NC1=[NH+]C=CC=C1CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029665640	0	41	0.0	-67.44	357.27	0.48	-66.96
O=C(NCC1(F)CN(C(=O)C2CCC[N@@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300029665656	0	46	0.0	-65.83	374.80	2.72	-63.11
O=C(NCC1(F)CN(C(=O)C2CCC[N@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300029665656	1	46	0.0	-64.41	374.50	3.08	-61.33
CC1C[N@@H+](C2CCC2C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CCO1	REAL300029665693	0	53	0.0	-67.86	418.62	2.81	-65.05
CC1C[N@H+](C2CCC2C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CCO1	REAL300029665693	1	53	0.0	-64.55	416.88	2.89	-61.66
O=C(NCC1(F)CN(C(=O)C2=CC=C(C[NH+]3CCCC3)O2)C1)C1=CC(=O)[N-]O1	REAL300029665716	0	49	0.0	-74.08	410.87	3.64	-70.44
O=C(C=CC[NH+]1CCCC1)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029665723	0	46	0.0	-72.62	383.46	2.93	-69.69
O=C(NCC1(F)CN(C(=O)C2CC[NH+](C3CC3)CC2)C1)C1=CC(=O)[N-]O1	REAL300029665758	0	49	0.0	-70.10	392.31	3.51	-66.59
CC[N@H+](C)CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029665821	0	41	0.0	-68.91	340.79	1.34	-67.57
O=C(C[N@@H+]1CC2C=CC1C2)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029665906	1	44	0.0	-66.92	362.34	2.73	-64.19
O=C(C[N@H+]1CC2C=CC1C2)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029665906	1	44	0.0	-67.29	361.88	2.66	-64.63
CC1=CC=C(NCCC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)[NH+]=C1	REAL300029665933	1	47	0.0	-65.99	402.10	2.15	-63.84
O=C(NCC1(F)CN(C(=O)C2(C[NH+]3CCCC3)CCCC2)C1)C1=CC(=O)[N-]O1	REAL300029665993	0	55	0.0	-72.80	415.80	4.18	-68.62
O=C(NCC1(F)CN(C(=O)C2C[NH+]3CCN2CC3)C1)C1=CC(=O)[N-]O1	REAL300029666024	0	45	0.0	-77.22	357.94	-1.01	-78.23
O=C(NCC1(F)CN(C(=O)C23CCC[N@@H+]2CCCC3)C1)C1=CC(=O)[N-]O1	REAL300029666096	0	49	0.0	-63.76	373.54	2.73	-61.03
O=C(NCC1(F)CN(C(=O)C23CCC[N@H+]2CCCC3)C1)C1=CC(=O)[N-]O1	REAL300029666096	1	49	0.0	-64.56	375.28	2.77	-61.79
O=C(NCC1(F)CN(C(=O)C23CCC[N@@H+]2CC=CC3)C1)C1=CC(=O)[N-]O1	REAL300029666108	0	47	0.0	-64.47	367.25	2.65	-61.82
O=C(NCC1(F)CN(C(=O)C23CCC[N@H+]2CC=CC3)C1)C1=CC(=O)[N-]O1	REAL300029666108	1	47	0.0	-64.39	367.48	2.61	-61.78
CC(OCC[NH+](C)C)C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029666124	0	48	0.0	-69.72	394.30	2.34	-67.38
C[NH+](C)CCOCCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029666138	0	48	0.0	-70.09	399.85	1.47	-68.62
COCC[N@H+](C)CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029666140	1	45	0.0	-69.62	373.15	0.51	-69.11
COCC[N@@H+](C)CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029666140	1	45	0.0	-69.64	373.35	0.51	-69.13
O=C(NCC1(F)CN(C(=O)C2C[NH+](C3CCOC3)C2)C1)C1=CC(=O)[N-]O1	REAL300029666143	0	47	0.0	-74.94	388.67	1.02	-73.92
CC(CCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029666149	0	47	0.0	-72.10	376.51	2.41	-69.69
C[NH+]1CCC(=CC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029666181	0	46	0.0	-72.70	376.38	3.02	-69.68
CC[N@H+](CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029666196	0	45	0.0	-65.75	372.44	2.77	-62.98
CC[N@@H+](CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029666196	1	45	0.0	-66.45	369.41	2.70	-63.75
C[NH+](C)C1(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CCCSC1	REAL300029666201	0	49	0.0	-72.23	381.77	3.00	-69.23
CC1C[N@@H+]2CCN1C(C(=O)N1CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029666217	0	48	0.0	-72.97	373.05	-0.44	-73.41
CC1C[N@H+]2CCN1C(C(=O)N1CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029666217	1	48	0.0	-73.41	372.62	-0.44	-73.85
C[N@@H+]1CC2CC1(C(=O)N1CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029666260	0	43	0.0	-70.94	348.36	2.03	-68.91
C[N@H+]1CC2CC1(C(=O)N1CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029666260	1	43	0.0	-68.76	348.39	1.84	-66.92
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029666274	1	45	0.0	-69.10	387.96	1.38	-67.72
CC1=C(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C=NN1CC[NH+](C)C	REAL300029666281	0	51	0.0	-79.67	418.03	2.32	-77.35
O=C(C[N@@H+]1CC2CCC1C2)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029666284	0	46	0.0	-66.97	369.70	2.80	-64.17
O=C(C[N@H+]1CC2CCC1C2)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029666284	1	46	0.0	-66.59	369.79	2.80	-63.79
CC(C)[NH+]1CCC(CC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029666305	0	54	0.0	-67.79	417.11	4.07	-63.72
CC(C[NH+](C)C)C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029666322	0	44	0.0	-70.64	359.02	1.78	-68.86
C[N@@H+]1CC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C(C(F)(F)F)C1	REAL300029666341	0	45	0.0	-73.08	372.83	2.66	-70.42
C[N@H+]1CC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C(C(F)(F)F)C1	REAL300029666341	1	45	0.0	-77.15	374.21	2.43	-74.72
C[NH+](C)C1(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029666345	0	42	0.0	-72.25	347.16	1.64	-70.61
C[C@H](C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029666380	0	41	0.0	-68.84	341.28	1.06	-67.78
CC[N@@H+]1CCC1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029666394	1	42	0.0	-67.92	345.79	1.17	-66.75
CC[N@H+]1CCC1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029666394	1	42	0.0	-67.38	346.78	1.37	-66.01
CC(C)[N@@H+]1CCCC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029666415	0	51	0.0	-63.64	393.07	3.52	-60.12
CC(C)[N@H+]1CCCC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029666415	1	51	0.0	-67.26	399.52	3.30	-63.96
CN1C=C[NH+]=C1N1CCC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029666417	1	49	0.0	-66.69	403.79	3.26	-63.43
CCC(C)(C)[NH2+]C(C)C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029666446	0	50	0.0	-65.65	386.01	1.09	-64.56
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029666515	1	44	0.0	-63.66	370.71	1.42	-62.24
NC1=CC=[NH+]C=C1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029666517	0	38	0.0	-70.58	329.41	-1.21	-71.79
C[NH+](C)C(CC1=CC=CC=C1)C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029666523	0	51	0.0	-72.63	409.69	4.58	-68.05
CCCC(C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029666534	0	47	0.0	-68.86	376.09	2.57	-66.29
C[NH+](C)C(C)(C)C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029666544	0	44	0.0	-68.71	344.57	1.75	-66.96
CC(CC[NH+](C)C)C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029666575	0	47	0.0	-71.37	380.66	2.39	-68.98
O=C(NCC1(F)CN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1)C1=CC(=O)[N-]O1	REAL300029666648	0	52	0.0	-70.77	388.53	3.22	-67.55
O=C(NCC1(F)CN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1)C1=CC(=O)[N-]O1	REAL300029666648	1	52	0.0	-64.78	397.73	4.01	-60.77
O=C(NCC1(F)CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1)C1=CC(=O)[N-]O1	REAL300029666689	0	47	0.0	-65.54	378.44	3.20	-62.34
O=C(NCC1(F)CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1)C1=CC(=O)[N-]O1	REAL300029666689	1	47	0.0	-73.39	375.59	3.94	-69.45
COCCCC[N@H+](C)CCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029666746	0	54	0.0	-75.16	440.00	2.56	-72.60
COCCCC[N@@H+](C)CCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029666746	1	54	0.0	-75.21	440.01	2.56	-72.65
C[NH+](C)C12CCC(C(=O)N3CC(F)(CNC(=O)C4=CC(=O)[N-]O4)C3)(CC1)CC2	REAL300029666752	0	55	0.0	-74.69	405.46	3.53	-71.16
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029666761	0	48	0.0	-67.38	386.10	2.81	-64.57
C[N@H+]1CC(C)(C)CC1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029666761	1	48	0.0	-67.00	376.34	2.28	-64.72
C[NH+](C)CCCCCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029666767	0	50	0.0	-72.49	409.88	3.59	-68.90
O=C(CC[NH+]1CCC(O)CC1)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029666773	0	49	0.0	-74.20	398.11	-0.24	-74.44
CCC[N@@H+]1CCCCC1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029666779	0	51	0.0	-66.32	391.13	3.26	-63.06
CCC[N@H+]1CCCCC1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029666779	1	51	0.0	-65.65	392.68	3.25	-62.40
CC[NH+]1CCN(CCC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029666790	0	53	0.0	-71.53	421.19	1.39	-70.14
CCN1CC[NH+](CCC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029666790	1	53	0.0	-71.45	421.85	1.40	-70.05
C[NH+]1CCN(CC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029666794	1	47	0.0	-71.91	381.66	0.18	-71.73
CC(C)C[NH+]1CCC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029666952	0	54	0.0	-73.48	421.84	4.21	-69.27
CC1C[N@H+](C)CC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029666956	1	46	0.0	-81.00	371.90	1.39	-79.61
CC1C[N@@H+](C)CC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029666956	1	46	0.0	-79.27	372.45	1.81	-77.46
CCC1CCC[N@H+](CC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029667002	0	51	0.0	-67.59	396.53	3.32	-64.27
CCC1CCC[N@@H+](CC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029667002	1	51	0.0	-69.21	403.61	3.80	-65.41
C[NH+](C)CC1=CC=C(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029667014	0	46	0.0	-77.11	385.27	1.83	-75.28
O=C(C[NH+]1CC2CC2C1)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029667040	0	43	0.0	-68.83	358.55	2.65	-66.18
O=C(CC1([NH+]2CCCC2)CC1)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029667065	0	49	0.0	-66.89	387.74	3.43	-63.46
CC([NH2+]C1(CO)CCCC1)C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029667091	0	52	0.0	-68.50	402.92	-1.39	-69.89
C[N@@H+]1CCCCC1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029667132	0	45	0.0	-66.97	353.08	1.89	-65.08
C[N@H+]1CCCCC1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029667132	1	45	0.0	-66.61	353.16	1.93	-64.68
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029667148	0	54	0.0	-67.90	414.58	4.44	-63.46
CC(C)C[N@H+]1CCCC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029667148	1	54	0.0	-69.30	419.27	4.16	-65.14
C[NH+](C)C1CCN(CC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029667234	0	53	0.0	-71.70	415.97	1.38	-70.32
C[N@@H+]1CCC(=CC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029667329	0	43	0.0	-74.50	360.81	2.22	-72.28
C[N@H+]1CCC(=CC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029667329	1	43	0.0	-74.16	361.67	2.31	-71.85
O=C(CNC1=CC=[NH+]C=C1)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029667337	0	41	0.0	-69.36	358.96	0.00	-69.36
CC[NH+]1CCN(CC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029667415	0	50	0.0	-69.61	399.31	0.88	-68.73
O=C(C=C1C[NH+]2CCC1CC2)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029667420	0	47	0.0	-68.04	379.48	3.13	-64.91
C[NH+](C)C1(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029667481	0	48	0.0	-68.10	362.94	2.39	-65.71
C[N@H+](CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029667498	0	49	0.0	-65.22	393.85	0.11	-65.11
C[N@@H+](CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029667498	1	49	0.0	-67.96	394.23	-0.09	-68.05
CCC1C[NH+](CC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029667506	1	45	0.0	-70.07	375.54	2.57	-67.50
O=C(NCC1(F)CN(C(=O)C2C[NH+](C3CCOCC3)C2)C1)C1=CC(=O)[N-]O1	REAL300029667510	0	50	0.0	-74.95	406.78	1.74	-73.21
O=C(NCC1(F)CN(C(=O)C2([NH+]3CCCC3)CCC2)C1)C1=CC(=O)[N-]O1	REAL300029667513	0	49	0.0	-68.35	380.98	3.36	-64.99
C[N@@H+]1CCC[C@H]1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029667531	0	42	0.0	-67.18	345.44	1.60	-65.58
C[N@H+]1CCC[C@H]1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029667531	1	42	0.0	-67.03	342.10	1.15	-65.88
CC[N@@H+]1CCOCC1CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029667576	0	49	0.0	-72.58	391.18	1.14	-71.44
O=C(NCC1(F)CN(C(=O)C2=CC(=O)NC3=C2CCC[NH2+]3)C1)C1=CC(=O)[N-]O1	REAL300029667585	0	46	0.0	-85.51	390.35	0.12	-85.39
O=C(NCC1(F)CN(C(=O)C2C[NH+](C3CCCCC3)C2)C1)C1=CC(=O)[N-]O1	REAL300029667610	0	52	0.0	-72.49	415.28	4.08	-68.41
COC1C[N@@H+]2CCCC2(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029667632	0	50	0.0	-70.83	393.63	1.44	-69.39
COC1C[N@H+]2CCCC2(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029667632	1	50	0.0	-70.83	393.63	1.44	-69.39
NC1=NC2=CC(C(=O)N3CC(F)(CNC(=O)C4=CC(=O)[N-]O4)C3)=CC=C2N1	REAL300029667716	0	42	0.0	-70.14	362.98	1.56	-68.58
NC1=[NH+]C2=CC(C(=O)N3CC(F)(CNC(=O)C4=CC(=O)[N-]O4)C3)=CC=C2N1	REAL300029667716	1	42	0.0	-70.14	362.98	1.56	-68.58
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029667779	0	45	0.0	-69.89	372.60	2.48	-67.41
C[NH+](C)CCC1(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029667795	0	54	0.0	-68.93	417.75	3.90	-65.03
CC1CCCC(C)[NH+]1CCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029667797	0	54	0.0	-66.48	417.25	3.87	-62.61
C[NH+](C)C1CCC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029667800	0	51	0.0	-69.26	392.78	3.21	-66.05
C[NH+](C)CCC1(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029667801	0	48	0.0	-69.43	394.09	3.08	-66.35
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029667806	0	51	0.0	-70.82	392.26	3.18	-67.64
C[N@@H+]1CC=CCC1CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029667807	0	46	0.0	-72.64	374.28	2.72	-69.92
C[N@H+]1CC=CCC1CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029667807	1	46	0.0	-71.96	374.25	2.80	-69.16
CC1=CC(C=CC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)=C[NH+]=C1N	REAL300029667887	1	45	0.0	-70.90	388.15	1.69	-69.21
C[NH+](C)CCOCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029667904	0	45	0.0	-71.02	379.11	1.83	-69.19
CCCCC[N@H+](C)CCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029667912	0	53	0.0	-72.41	427.83	4.27	-68.14
CCCCC[N@@H+](C)CCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029667912	1	53	0.0	-72.42	427.83	4.27	-68.15
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029667929	0	49	0.0	-72.22	401.05	2.63	-69.59
[NH2+]=C1SC=CN1CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029667966	0	38	0.0	-65.22	350.09	0.85	-64.37
C[C@@H](OCC[NH+](C)C)C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029668088	0	48	0.0	-68.57	396.09	2.34	-66.23
C[NH+]1CCC(O)(C2(C(=O)N3CC(F)(CNC(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029668093	0	53	0.0	-73.00	416.92	0.99	-72.01
O=C(CC[NH+]1CCCCCC1)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029668187	0	51	0.0	-71.69	397.23	3.36	-68.33
C[N@@H+]1CCCC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029668195	0	45	0.0	-73.23	358.40	2.18	-71.05
C[N@H+]1CCCC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029668195	1	45	0.0	-73.23	358.40	2.18	-71.05
O=C(CN1CCC(CO)CC1)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029668197	0	49	0.0	-70.29	397.03	-0.10	-70.39
O=C(C[NH+]1CCC(CO)CC1)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029668197	1	49	0.0	-70.29	397.03	-0.10	-70.39
O=C(C[NH+]1CCCCCC1)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029668203	0	48	0.0	-68.28	374.32	2.79	-65.49
CN1C=C[N+](CC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029668210	0	40	0.0	-67.14	354.32	4.27	-62.87
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029668233	0	54	0.0	-74.01	409.38	3.31	-70.70
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029668233	1	54	0.0	-74.01	409.38	3.31	-70.70
CN(C)CC1=CC=C(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029668239	0	45	0.0	-75.17	384.44	2.42	-72.75
C[NH+](C)CC1=CC=C(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029668239	1	45	0.0	-75.17	384.44	2.42	-72.75
O=C(CN1CCC(O)CC1)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029668273	0	46	0.0	-72.12	376.05	-0.75	-72.87
O=C(C[NH+]1CCC(O)CC1)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029668273	1	46	0.0	-72.12	376.05	-0.75	-72.87
C[N@H+](CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029668281	0	42	0.0	-66.84	352.44	2.09	-64.75
CC(C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)N1CCN(C)CC1	REAL300029668283	0	50	0.0	-70.99	395.84	0.54	-70.45
CC(C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300029668283	1	50	0.0	-70.99	395.84	0.54	-70.45
O=C(CC[N@H+]1CCC(F)C1)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029668291	0	45	0.0	-75.51	377.59	2.52	-72.99
COC1C[N@H+](C)C(C)(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029668310	0	49	0.0	-77.31	385.60	0.87	-76.44
C[NH+](C)CCC1=CC=CC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029668333	0	51	0.0	-75.80	419.48	4.63	-71.17
CC(CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029668340	0	47	0.0	-71.93	380.21	2.68	-69.25
O=C(NCC1(F)CN(C(=O)C2CC[N@@H+]3CCOCC23)C1)C1=CC(=O)[N-]O1	REAL300029668367	0	47	0.0	-72.31	379.65	0.90	-71.41
O=C(NCC1(F)CN(C(=O)C2CC[N@H+]3CCOCC23)C1)C1=CC(=O)[N-]O1	REAL300029668367	1	47	0.0	-72.31	379.65	0.90	-71.41
CN1CCOCC1CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029668403	0	46	0.0	-75.30	373.64	0.47	-74.83
C[N@@H+]1CCOCC1CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029668403	1	46	0.0	-75.63	373.25	0.51	-75.12
C[N@H+]1CCOCC1CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029668403	1	46	0.0	-75.63	373.25	0.51	-75.12
C[NH+](C)CC(C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029668415	0	51	0.0	-71.43	420.49	4.61	-66.82
CC1=CC(N)=NC=C1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029668504	0	41	0.0	-70.50	350.49	0.02	-70.48
CC1=CC(N)=[NH+]C=C1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029668504	1	41	0.0	-70.50	350.49	0.02	-70.48
O=C(NCC1(F)CN(C(=O)C2(CC[NH+]3CCCCC3)CC2)C1)C1=CC(=O)[N-]O1	REAL300029668540	0	55	0.0	-72.42	438.55	4.97	-67.45
CC1(O)CC[N@H+](CC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029668582	0	46	0.0	-69.81	378.88	-0.92	-70.73
C[NH+](C)CCN1N=CC=C1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029668593	0	48	0.0	-68.93	397.85	1.90	-67.03
C[NH+]1CC(CC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029668636	0	42	0.0	-70.79	354.31	1.49	-69.30
O=C(NCC1(F)CN(C(=O)C2CC[N@@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300029668642	0	49	0.0	-69.21	393.75	3.45	-65.76
C[N@H+](CCO)CCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029668704	0	45	0.0	-70.48	373.42	-1.34	-71.82
C[N@@H+](CCO)CCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029668704	1	45	0.0	-70.48	373.42	-1.34	-71.82
C[N@@H+]1CCCCC1CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029668733	0	48	0.0	-71.24	382.31	2.94	-68.30
C[N@H+]1CCCCC1CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029668733	1	48	0.0	-71.24	382.31	2.94	-68.30
CC1=C2C=C(C(=O)N3CC(F)(CNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=N1	REAL300029668768	0	43	0.0	-73.84	370.68	4.32	-69.52
CC1=C2C=C(C(=O)N3CC(F)(CNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029668768	1	43	0.0	-73.84	370.68	4.32	-69.52
CC(C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)N1CC(C)C1	REAL300029668769	0	45	0.0	-67.83	374.62	2.36	-65.47
CC(C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300029668769	1	45	0.0	-67.83	374.62	2.36	-65.47
CC1CCN1CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029668775	0	42	0.0	-67.17	348.85	1.57	-65.60
CC1CC[N@@H+]1CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029668775	1	42	0.0	-67.61	354.39	1.77	-65.84
CC1CC[N@H+]1CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029668775	1	42	0.0	-67.61	354.39	1.77	-65.84
C[NH+](C)CC=CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029668796	0	42	0.0	-73.93	360.22	1.97	-71.96
O=C(CCCC[NH+]1CCCCC1)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029668829	0	54	0.0	-71.55	430.02	4.68	-66.87
CC1=C(C)[NH+]=C(CCC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029668847	1	46	0.0	-65.26	393.26	1.96	-63.30
C[N@@H+]1CCC2=C(C1)SC(C(=O)N1CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C1)=C2	REAL300029668848	1	46	0.0	-76.70	393.06	3.50	-73.20
C[N@H+]1CCC2=C(C1)SC(C(=O)N1CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C1)=C2	REAL300029668848	1	46	0.0	-76.86	393.06	3.49	-73.37
C[NH+]1CCC(C2(C(=O)N3CC(F)(CNC(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029668862	0	52	0.0	-73.64	414.40	4.26	-69.38
CC1=C2C=C(C(=O)N3CC(F)(CNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029668873	1	43	0.0	-73.84	370.68	4.32	-69.52
C[NH+](C)CCSCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029668889	0	45	0.0	-75.35	390.13	2.68	-72.67
CC(C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300029668911	0	51	0.0	-69.43	417.45	4.60	-64.83
CC(C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300029668911	1	51	0.0	-70.39	417.60	4.63	-65.76
NC1=[NH+]C2=C(C=C1C(=O)N1CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C1)CCCC2	REAL300029668915	1	48	0.0	-62.02	391.99	2.11	-59.91
O=C(C[N@H+]1CCCC1CO)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029668924	0	46	0.0	-65.42	368.84	-0.79	-66.21
O=C(C[N@@H+]1CCCC1CO)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029668924	1	46	0.0	-67.53	377.95	-0.78	-68.31
CC[NH+](CC)CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029668927	0	44	0.0	-67.72	359.12	2.01	-65.71
C[N@H+](CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029668944	0	46	0.0	-74.69	382.57	2.99	-71.70
C[N@@H+](CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029668944	1	46	0.0	-73.89	383.77	2.88	-71.01
CC[NH+](CC)CCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029669014	0	47	0.0	-70.10	380.97	2.59	-67.51
NC(=O)C1CC[NH+](CC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029669040	1	49	0.0	-81.31	401.27	-0.72	-82.03
C[NH+](C)CC1=CNC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029669104	0	46	0.0	-75.49	384.83	1.98	-73.51
CC(C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300029669130	1	49	0.0	-68.98	386.70	-0.65	-69.63
O=C(NCC1(F)CN(C(=O)C2CC3COCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029669139	0	47	0.0	-71.37	381.40	1.01	-70.36
O=C(NCC1(F)CN(C(=O)C2CC3COCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029669139	1	47	0.0	-71.33	379.54	0.92	-70.41
CC(C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029669161	1	42	0.0	-70.13	353.29	1.74	-68.39
CCC(CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029669175	0	50	0.0	-73.69	397.86	3.28	-70.41
NC1=CC=C(C=CC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300029669184	0	42	0.0	-72.05	370.35	0.93	-71.12
C[NH+](C)CC(C)(C)C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029669185	0	47	0.0	-66.38	364.60	2.18	-64.20
C[NH+](C)C(CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029669232	0	51	0.0	-68.75	411.05	4.57	-64.18
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029669275	0	45	0.0	-67.88	351.57	1.88	-66.00
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029669275	1	45	0.0	-66.66	364.71	2.24	-64.42
CC1CN2CC[N@@H+]1CC2C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029669293	0	48	0.0	-75.39	374.01	-0.50	-75.89
CC1CN2CC[N@H+]1CC2C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029669293	1	48	0.0	-71.33	372.64	-0.56	-71.89
C[NH+](C)CC(O)CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029669329	0	45	0.0	-74.64	375.72	-0.21	-74.85
C[NH+]1C2CCC1CC(C(=O)N1CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029669332	0	49	0.0	-71.30	380.80	2.69	-68.61
C#CC1(O)CC[NH+](C(C)C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029669374	1	51	0.0	-68.45	417.01	0.58	-67.87
C=CCC(C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029669389	0	45	0.0	-68.29	368.59	2.34	-65.95
O=C(NCC1(F)CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029669405	0	49	0.0	-68.21	390.26	3.37	-64.84
O=C(NCC1(F)CN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029669405	1	49	0.0	-67.21	389.86	3.42	-63.79
C[NH+]1CCC(C)(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029669423	0	48	0.0	-71.48	373.48	2.32	-69.16
C[NH+]1CCC(O)(CC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029669429	0	49	0.0	-72.82	393.61	1.11	-71.71
COCC[N@@H+]1CCCC1CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029669448	0	52	0.0	-69.16	419.73	2.32	-66.84
COCC[N@H+]1CCCC1CC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029669448	1	52	0.0	-68.95	420.98	2.14	-66.81
C[NH+]1C2CCC1CC(CC(=O)N1CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029669464	0	52	0.0	-72.04	388.90	3.19	-68.85
C[NH+](C)CCN1N=CC=C1C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029669509	0	48	0.0	-72.45	400.77	2.10	-70.35
C[N@@H+]1CCC2=C(C1)SC(C(=O)NCC1(F)CN(C(=O)C3=CC(=O)[N-]O3)C1)=C2	REAL300029669551	1	46	0.0	-77.18	395.33	3.68	-73.50
C[N@H+]1CCC2=C(C1)SC(C(=O)NCC1(F)CN(C(=O)C3=CC(=O)[N-]O3)C1)=C2	REAL300029669551	1	46	0.0	-77.31	395.31	3.68	-73.63
C[NH+]1CCC(C2(C(=O)NCC3(F)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029669563	0	52	0.0	-73.33	408.40	4.19	-69.14
CC1=C2C=C(C(=O)NCC3(F)CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029669576	1	43	0.0	-72.38	373.38	4.73	-67.65
C[NH+](C)CCSCC(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029669591	0	45	0.0	-76.11	388.02	2.50	-73.61
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2COCC[N@@H+]2C1	REAL300029669603	0	47	0.0	-72.45	379.87	0.98	-71.47
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2COCC[N@H+]2C1	REAL300029669603	1	47	0.0	-70.83	379.57	0.92	-69.91
C[N@@H+]1CCCC1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029669767	0	51	0.0	-71.27	392.90	3.37	-67.90
C[N@H+]1CCCC1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029669767	1	51	0.0	-76.08	386.20	2.96	-73.12
C[N@@H+]1CCOC(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029669791	1	52	0.0	-86.78	403.76	2.91	-83.87
C[N@H+]1CCOC(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029669791	1	52	0.0	-74.67	396.70	2.73	-71.94
CC(C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300029669952	0	60	0.0	-70.94	436.19	4.83	-66.11
CC(C)[N@@H+]1CCCCC1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029669954	0	60	0.0	-69.55	439.51	4.96	-64.59
CC(C)[N@H+]1CCCCC1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029669954	1	60	0.0	-67.87	439.43	4.95	-62.92
CC(C)[N@@H+]1CCCC1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029669975	0	57	0.0	-70.56	426.08	4.54	-66.02
CC(C)[N@H+]1CCCC1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029669975	1	57	0.0	-74.20	418.61	4.67	-69.53
CC1(C)C[C@@H](CNC(=O)C2CC3CCCC[N@@H+]3C2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029669991	0	58	0.0	-74.01	434.03	5.15	-68.86
CC1(C)C[C@@H](CNC(=O)C2CC3CCCC[N@H+]3C2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029669991	1	58	0.0	-71.67	433.59	5.16	-66.51
CC(C)C1=[NH+]C=CN1CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029670012	1	55	0.0	-70.12	432.81	5.13	-64.99
CC1=[NH+]C=CN1CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029670042	1	49	0.0	-70.96	396.58	4.02	-66.94
CC(C[NH+]1CCOCC1)C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029670043	0	58	0.0	-77.48	437.66	3.18	-74.30
CC1(C)C[C@@H](CNC(=O)CCC[NH+]2CCCCC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029670059	0	60	0.0	-76.75	451.82	5.67	-71.08
CC(C)(C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300029670077	0	60	0.0	-52.10	425.02	6.62	-45.48
CC1(C)C[C@@H](CNC(=O)C2C[NH+]3CCC2CC3)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029670085	0	55	0.0	-80.67	407.60	4.22	-76.45
CC1(C)C[C@@H](CNC(=O)C2CCCC3CCC[N@@H+]32)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029670126	0	58	0.0	-67.45	431.87	5.26	-62.19
CC1(C)C[C@@H](CNC(=O)C2CCCC3CCC[N@H+]32)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029670126	1	58	0.0	-68.07	430.58	5.30	-62.77
C[C@@H]1[C@H](C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029670140	0	54	0.0	-81.50	402.67	3.36	-78.14
C[C@@H]1[C@H](C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029670140	1	54	0.0	-78.85	408.95	4.13	-74.72
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029670144	0	57	0.0	-78.29	423.15	4.07	-74.22
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029670144	1	57	0.0	-78.11	428.53	4.50	-73.61
CC[N@@H+]1CCOC(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029670154	1	55	0.0	-84.28	421.49	3.52	-80.76
CC[N@H+]1CCOC(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029670154	1	55	0.0	-74.80	415.28	3.35	-71.45
CC[NH+](CC)CC(F)C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029670195	0	56	0.0	-77.65	426.45	4.14	-73.51
CC1CCC(C)[NH+]1CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029670258	0	57	0.0	-73.02	413.94	4.05	-68.97
CC1(C)C[C@@H](CNC(=O)CCC[NH+]2CCCC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029670264	0	57	0.0	-76.45	436.15	4.96	-71.49
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029670269	0	56	0.0	-81.74	436.41	5.21	-76.53
CC1(C)C[C@@H](CNC(=O)CC[NH+]2CCCCC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029670270	0	57	0.0	-76.21	430.33	4.85	-71.36
CC[N@@H+]1CCCCC1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029670276	0	57	0.0	-71.40	426.14	4.65	-66.75
CC[N@H+]1CCCCC1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029670276	1	57	0.0	-69.16	427.02	4.60	-64.56
CC(C)C[N@@H+]1CCC(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029670290	0	60	0.0	-74.07	450.77	5.42	-68.65
CC(C)C[N@H+]1CCC(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029670290	1	60	0.0	-76.05	452.32	5.41	-70.64
C[NH+](C)C1(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029670294	0	54	0.0	-55.62	389.96	5.46	-50.16
CC(C)[N@@H+]1CCCC1CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029670296	0	60	0.0	-69.20	438.73	4.52	-64.68
CC(C)[N@H+]1CCCC1CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029670296	1	60	0.0	-67.20	435.15	4.48	-62.72
CC(C)[C@@H](C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029670309	0	56	0.0	-74.78	416.50	4.63	-70.15
C[N@H+](CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029670350	0	54	0.0	-72.03	412.54	4.41	-67.62
C[N@@H+](CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029670350	1	54	0.0	-72.95	413.27	4.38	-68.57
CC(C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300029670409	0	60	0.0	-68.50	438.45	4.85	-63.65
C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029670468	1	53	0.0	-73.51	413.94	4.15	-69.36
C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029670468	1	53	0.0	-72.98	418.90	4.71	-68.27
C[N@@H+]1CCCC1CCC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029670474	0	57	0.0	-75.13	429.05	4.45	-70.68
C[N@H+]1CCCC1CCC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029670474	1	57	0.0	-79.55	430.79	4.76	-74.79
CC1(C)C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029670483	0	58	0.0	-75.92	423.71	4.63	-71.29
CC1(C)C[C@@H](CNC(=O)C2CCC3CCCC[N@@H+]32)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029670486	0	58	0.0	-73.14	429.14	4.91	-68.23
CC1(C)C[C@@H](CNC(=O)C2CCC3CCCC[N@H+]32)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029670486	1	58	0.0	-70.74	427.14	4.93	-65.81
CC1(C)C[C@@H](CNC(=O)CCCC[NH+]2CCCC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029670502	0	60	0.0	-77.31	457.65	5.74	-71.57
C[NH+]1CCC(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029670513	0	54	0.0	-80.92	411.74	4.06	-76.86
C[NH+](C)CC1=CC(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)=NO1	REAL300029670548	1	53	0.0	-82.17	425.30	3.45	-78.72
CC1=C(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300029670549	0	52	0.0	-81.39	418.46	6.18	-75.21
C[N@@H+]1CCCCC1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029670580	0	54	0.0	-72.08	399.81	3.86	-68.22
C[N@H+]1CCCCC1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029670580	1	54	0.0	-73.14	400.05	3.84	-69.30
CC(C)C[N@@H+]1CCCC1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029670602	0	60	0.0	-71.73	451.28	5.63	-66.10
CC(C)C[N@H+]1CCCC1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029670602	1	60	0.0	-74.00	446.19	5.02	-68.98
CC1(C)C[C@@H](CNC(=O)C2=CN3C=[NH+]C=C3C=C2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029670702	0	49	0.0	-76.66	396.52	5.96	-70.70
CC1=[NH+]C=CN1CCCC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029670710	1	55	0.0	-73.35	437.29	5.33	-68.02
CC1(C)C[C@@H](CNC(=O)CC[NH+]2CCOCC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029670715	1	55	0.0	-79.72	421.60	2.43	-77.29
CC1=C[NH+]=CN1CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029670745	1	49	0.0	-75.00	396.92	4.75	-70.25
CC1(C)C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029670784	0	55	0.0	-76.35	408.84	4.22	-72.13
C[NH+](C)C1CCCC(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029670808	0	60	0.0	-76.20	444.97	5.26	-70.94
C[N@@H+]1CCC(CC(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029670811	0	54	0.0	-78.13	414.00	3.97	-74.16
C[N@H+]1CCC(CC(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029670811	1	54	0.0	-78.47	413.88	4.02	-74.45
CN(C)C1=CC=[NH+]C=C1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029670823	0	53	0.0	-85.79	416.88	3.23	-82.56
CCC(C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029670828	0	53	0.0	-72.75	400.05	3.59	-69.16
C[NH+](C)C1(CC(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029670840	0	60	0.0	-80.16	431.08	4.84	-75.32
CC1(C)C[C@@H](CNC(=O)C2=CC3=C[NH+]=CN3C=C2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029670881	1	49	0.0	-82.51	396.79	5.96	-76.55
C[NH+](C)CCCCC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029670935	0	56	0.0	-78.74	431.68	4.57	-74.17
CC(C)C(C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029670955	0	56	0.0	-51.11	410.91	5.65	-45.46
CCC[N@H+](C)CCC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029670957	0	56	0.0	-77.85	427.92	4.36	-73.49
CCC[N@@H+](C)CCC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029670957	1	56	0.0	-77.67	427.91	4.38	-73.29
CCC[N@H+](C)CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029670962	0	53	0.0	-74.88	406.38	3.82	-71.06
CCC[N@@H+](C)CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029670962	1	53	0.0	-74.83	406.38	3.82	-71.01
CC1(C)C[C@@H](CNC(=O)C23CC[N@H+](C2)CCC3)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029670985	0	55	0.0	-84.41	408.64	3.68	-80.73
CC1(C)C[C@@H](CNC(=O)C23CC[N@@H+](C2)CCC3)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029670985	1	55	0.0	-77.45	407.95	3.64	-73.81
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029671021	0	51	0.0	-73.04	386.18	2.95	-70.09
C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029671021	1	51	0.0	-71.18	391.14	3.48	-67.70
CCCCCC[N@H+](C)CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029671078	0	62	0.0	-75.81	470.05	6.18	-69.63
CCCCCC[N@@H+](C)CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029671078	1	62	0.0	-76.12	470.88	6.15	-69.97
CC[NH+](CC)C(C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300029671082	0	62	0.0	-49.35	442.43	6.85	-42.50
CC[NH+](CC)CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029671091	0	53	0.0	-73.02	397.52	3.50	-69.52
CCC[N@@H+]1CCCC(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029671123	0	60	0.0	-67.49	443.83	5.66	-61.83
CCC[N@H+]1CCCC(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029671123	1	60	0.0	-75.63	450.94	5.42	-70.21
CC(C)[N@@H+]1CCOC(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029671138	0	58	0.0	-83.66	439.13	4.05	-79.61
CC(C)[N@H+]1CCOC(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029671138	1	58	0.0	-85.48	438.25	4.07	-81.41
CC1CC[NH+](CC(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029671167	0	57	0.0	-75.42	429.79	4.90	-70.52
C[NH+]1CCC(OCC(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029671193	0	58	0.0	-83.54	447.07	4.50	-79.04
C[NH+](C)CC1(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029671204	0	54	0.0	-61.95	406.93	5.15	-56.80
CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029671277	0	60	0.0	-78.50	446.06	5.24	-73.26
C[NH+]1CCC(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029671295	0	54	0.0	-80.92	411.74	4.06	-76.86
CC(C)[C@H](C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029671313	0	56	0.0	-71.67	417.25	4.53	-67.14
CCC(C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300029671344	0	59	0.0	-67.15	430.76	4.81	-62.34
CC[N@H+](C)CCC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029671400	0	53	0.0	-77.13	406.42	3.64	-73.49
CC[N@@H+](C)CCC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029671400	1	53	0.0	-76.91	406.42	3.65	-73.26
CC1CCC[N@@H+]1CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029671456	0	54	0.0	-71.94	411.74	4.24	-67.70
CC1CCC[N@H+]1CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029671456	1	54	0.0	-72.15	411.31	4.16	-67.99
CC1CC[N@H+](CC(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029671458	0	54	0.0	-74.11	413.32	4.14	-69.97
CC1CC[N@@H+](CC(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029671458	1	54	0.0	-73.82	412.54	4.09	-69.73
CC1(C)CC[N@@H+](CC(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029671462	0	57	0.0	-74.05	431.15	4.68	-69.37
CC1(C)CC[N@H+](CC(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029671462	1	57	0.0	-73.94	432.84	4.62	-69.32
C[N@H+](CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029671463	0	59	0.0	-74.39	435.99	4.94	-69.45
C[N@@H+](CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029671463	1	59	0.0	-74.52	437.62	4.94	-69.58
CC[C@@H](C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029671471	0	53	0.0	-71.24	397.79	3.40	-67.84
C[NH+]1CCC(O)(CC(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029671628	0	58	0.0	-77.31	437.53	2.64	-74.67
C[NH+](C)CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029671640	0	47	0.0	-75.26	367.16	2.40	-72.86
CC1(C)C[C@@H](CNC(=O)C[NH+]2CCC(CO)CC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029671644	1	58	0.0	-75.92	439.75	1.60	-74.32
CC1(C)C[C@@H](CNC(=O)C[NH+]2CCCCCC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029671645	0	57	0.0	-73.32	417.29	4.47	-68.85
CN1C=C[N+](CC(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029671649	0	49	0.0	-72.12	398.38	5.91	-66.21
C[N@@H+]1CCCC(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029671656	0	54	0.0	-67.14	405.52	4.23	-62.91
C[N@H+]1CCCC(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029671656	1	54	0.0	-76.94	411.79	4.03	-72.91
CC1(C)C[C@@H](CNC(=O)C2CCC[N@@H+]2C2CC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029671661	0	55	0.0	-69.60	423.76	4.96	-64.64
CC1(C)C[C@@H](CNC(=O)C2CCC[N@H+]2C2CC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029671661	1	55	0.0	-70.14	418.66	4.78	-65.36
CC(C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300029671688	1	51	0.0	-72.66	394.33	3.55	-69.11
CCC(CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029671693	0	59	0.0	-78.62	438.31	4.90	-73.72
C[NH+](C)CC(C)(C)C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029671700	0	56	0.0	-72.56	414.45	4.09	-68.47
CC1(C)C[C@@H](CNC(=O)C23CC(C2)C[N@@H+]3C2CC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029671717	0	56	0.0	-52.89	412.67	6.11	-46.78
CC1(C)C[C@@H](CNC(=O)C23CC(C2)C[N@H+]3C2CC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029671717	1	56	0.0	-52.81	418.69	6.61	-46.20
CC1(C)C[C@@H](CNC(=O)C[NH+]2CCC(O)CC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029671725	1	55	0.0	-78.23	419.13	0.94	-77.29
C[N@H+](CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029671726	0	51	0.0	-71.51	396.43	3.81	-67.70
C[N@@H+](CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029671726	1	51	0.0	-72.35	395.54	3.81	-68.54
CC(C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300029671727	1	59	0.0	-75.49	440.30	2.28	-73.21
C[NH+]1CC(CC(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029671745	0	51	0.0	-77.51	397.59	3.25	-74.26
CC1(C)C[C@@H](CNC(=O)C2CC[N@@H+]2C2CCCC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029671749	0	58	0.0	-74.29	433.01	4.85	-69.44
CC1(C)C[C@@H](CNC(=O)C2CC[N@H+]2C2CCCC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029671749	1	58	0.0	-74.67	437.25	5.25	-69.42
CC(C)(C)[N@@H+]1CCC1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029671757	0	57	0.0	-71.61	428.86	4.10	-67.51
CC(C)(C)[N@H+]1CCC1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029671757	1	57	0.0	-72.50	428.00	4.18	-68.32
C[C@@H](C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029671768	0	50	0.0	-73.94	384.32	2.85	-71.09
CCC1CCC[N@H+](CC(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029671807	0	60	0.0	-75.06	448.12	5.53	-69.53
CCC1CCC[N@@H+](CC(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029671807	1	60	0.0	-75.18	447.13	5.53	-69.65
C[NH+](C)CC1=CC=C(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)N1	REAL300029671814	0	55	0.0	-90.31	433.03	3.59	-86.72
CC1(C)C[C@@H](CNC(=O)CN2C=CSC2=[NH2+])N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029671855	0	47	0.0	-71.67	394.22	2.59	-69.08
C[N@H+](CCO)CCC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029671865	0	54	0.0	-76.35	416.77	0.42	-75.93
C[N@@H+](CCO)CCC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029671865	1	54	0.0	-76.81	416.56	0.38	-76.43
C[C@@H](C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029671866	0	50	0.0	-73.94	384.32	2.85	-71.09
C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029671870	0	54	0.0	-71.86	399.78	3.84	-68.02
C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029671870	1	54	0.0	-69.68	409.42	3.99	-65.69
CC1CN2CC[N@@H+]1CC2C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029671878	0	57	0.0	-83.10	420.18	1.38	-81.72
CC1CN2CC[N@H+]1CC2C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029671878	1	57	0.0	-78.21	420.06	1.38	-76.83
CC1CN2CC[N@@H+]1CC2C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029671878	1	57	0.0	-80.16	420.13	1.38	-78.78
CC1CN2CC[N@H+]1CC2C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029671878	1	57	0.0	-80.38	417.48	1.33	-79.05
CC1(C)C[C@@H](CNC(=O)CC2=CC3=C[NH+]=CN3C=C2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029671920	0	52	0.0	-74.04	421.56	6.59	-67.45
C[N@H+](CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029671943	0	55	0.0	-79.70	426.50	4.65	-75.05
C[N@@H+](CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029671943	1	55	0.0	-79.27	425.58	4.66	-74.61
CC1(C)C[C@@H](CNC(=O)C[NH+]2CCC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029671944	1	48	0.0	-74.94	376.56	2.95	-71.99
C[N@@H+]1CCC(=CC(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029671974	0	52	0.0	-79.84	405.11	3.95	-75.89
C[N@H+]1CCC(=CC(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029671974	1	52	0.0	-79.02	405.19	3.96	-75.06
C[NH+](C)CCOCC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029672007	0	54	0.0	-75.12	423.03	3.46	-71.66
CCCCC[N@H+](C)CCC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029672013	0	62	0.0	-78.71	470.91	5.94	-72.77
CCCCC[N@@H+](C)CCC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029672013	1	62	0.0	-78.59	470.92	5.95	-72.64
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029672022	0	58	0.0	-76.52	445.17	4.41	-72.11
C=CCC(C)(C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029672029	0	57	0.0	-53.61	409.78	5.65	-47.96
C[S+](C)CCC(O)C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029672034	0	53	0.0	-80.54	429.93	2.02	-78.52
C[N@@H+]1CC(O)CC1(C)C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029672059	0	55	0.0	-62.63	404.31	1.73	-60.90
CN1CC[N@H+](C)CC(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672069	0	59	0.0	-71.87	437.27	2.19	-69.68
CN1CC[N@@H+](C)CC(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672069	1	59	0.0	-71.87	437.27	2.19	-69.68
CC(C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300029672070	0	58	0.0	-70.70	436.21	1.39	-69.31
CC1(C)C[C@@H](CNC(=O)CN2CCC(CO)CC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672079	0	58	0.0	-75.92	439.75	1.60	-74.32
CC1(C)C[C@@H](CNC(=O)C[NH+]2CCC(CO)CC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672079	1	58	0.0	-75.92	439.75	1.60	-74.32
C[N@@H+]1CCCC(O)(CC(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672088	0	58	0.0	-68.69	437.32	2.69	-66.00
C[N@H+]1CCCC(O)(CC(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672088	1	58	0.0	-68.69	437.32	2.69	-66.00
CC1CN(CC(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672091	0	51	0.0	-75.96	396.46	3.61	-72.35
CC1C[NH+](CC(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672091	1	51	0.0	-75.96	396.46	3.61	-72.35
CN(CCO)CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029672117	0	51	0.0	-76.13	395.24	-0.17	-76.30
C[N@H+](CCO)CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029672117	1	51	0.0	-75.23	395.21	-0.14	-75.37
C[N@@H+](CCO)CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029672117	1	51	0.0	-75.23	395.21	-0.14	-75.37
CC1(C)C[C@@H](CNC(=O)C2C[N@@H+]3CCN2CCC3)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672139	0	57	0.0	-85.23	414.00	2.21	-83.02
CC1(C)C[C@@H](CNC(=O)C2C[N@H+]3CCN2CCC3)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672139	1	57	0.0	-85.23	414.00	2.21	-83.02
CC[N@@H+]1CCCC(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672145	0	57	0.0	-75.06	429.40	4.67	-70.39
CC[N@H+]1CCCC(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672145	1	57	0.0	-75.06	429.40	4.67	-70.39
CC(CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029672147	0	56	0.0	-78.04	424.34	4.40	-73.64
CC[N@H+](C)CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029672158	0	50	0.0	-74.65	384.88	3.08	-71.57
CC1(C)C[C@@H](CNC(=O)C23CCC[N@@H+]2CCCC3)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672182	0	58	0.0	-52.49	409.46	6.24	-46.25
CC1(C)C[C@@H](CNC(=O)C23CCC[N@H+]2CCCC3)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672182	1	58	0.0	-52.49	409.46	6.24	-46.25
CC1(C)C[C@@H](CNC(=O)C23CCC[N@@H+]2CC=CC3)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672187	0	56	0.0	-70.00	415.74	4.76	-65.24
CC1(C)C[C@@H](CNC(=O)C23CCC[N@H+]2CC=CC3)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672187	1	56	0.0	-70.00	415.74	4.76	-65.24
CC[N@H+](CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029672207	0	54	0.0	-71.69	412.31	4.38	-67.31
CC[NH+](CC)CCC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029672223	0	56	0.0	-76.13	423.75	4.35	-71.78
CC1(C)C[C@@H](CNC(=O)C[N@@H+]2CCC(C)(O)C2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672271	0	55	0.0	-73.61	423.07	0.81	-72.80
C[NH+](C)CC=CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029672278	0	51	0.0	-81.08	402.31	3.67	-77.41
CC(OCC[NH+](C)C)C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029672299	0	57	0.0	-72.01	442.04	4.19	-67.82
C[NH+](C)CCOCCC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029672307	0	57	0.0	-76.84	443.10	3.23	-73.61
COCCN(C)CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029672308	0	54	0.0	-74.55	416.62	2.28	-72.27
COCC[N@H+](C)CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029672308	1	54	0.0	-76.07	416.65	2.26	-73.81
COCC[N@@H+](C)CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029672308	1	54	0.0	-76.07	416.65	2.26	-73.81
C[NH+](C)C1(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029672341	0	57	0.0	-59.57	406.10	5.95	-53.62
CC(CCC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029672344	0	56	0.0	-75.85	423.33	4.14	-71.71
CCN1CCC1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029672351	0	51	0.0	-73.48	389.97	3.00	-70.48
CC[N@@H+]1CCC1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029672351	1	51	0.0	-74.94	389.73	3.15	-71.79
CC[N@H+]1CCC1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029672351	1	51	0.0	-74.94	389.73	3.15	-71.79
CC(C)[N@@H+]1CCCC(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672361	0	60	0.0	-73.78	445.25	5.25	-68.53
CC(C)[N@H+]1CCCC(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672361	1	60	0.0	-73.78	445.25	5.25	-68.53
CC1(C)C[C@@H](CNC(=O)C[N@@H+]2CCCC2CO)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672374	0	55	0.0	-74.13	421.31	0.89	-73.24
CC1(C)C[C@@H](CNC(=O)C2CC3CCCC[N@@H+]3C2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672396	0	58	0.0	-71.67	433.59	5.16	-66.51
CC1(C)C[C@@H](CNC(=O)C2CC3CCCC[N@H+]3C2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672396	1	58	0.0	-71.67	433.59	5.16	-66.51
C[NH+]1CCC(C)(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029672402	0	57	0.0	-77.10	423.60	4.54	-72.56
CC(C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)N1CCC(O)CC1	REAL300029672422	0	58	0.0	-75.04	432.74	1.16	-73.88
CC(C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300029672422	1	58	0.0	-75.04	432.74	1.16	-73.88
C=CCC(C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029672430	0	54	0.0	-73.28	413.41	4.10	-69.18
C[N@@H+]1CC(C)(C)CC1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029672440	0	57	0.0	-74.97	427.64	4.01	-70.96
C[NH+](C)CCCCCC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029672444	0	59	0.0	-77.98	453.18	5.35	-72.63
CC1C[N@@H+]2CCN1C(C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300029672478	0	57	0.0	-81.87	420.10	1.45	-80.42
CCCC(C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029672479	0	56	0.0	-73.32	419.43	4.18	-69.14
C[NH+](C)C(C)(C)C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029672483	0	53	0.0	-78.73	394.66	3.57	-75.16
C[N@@H+]1CCCCC1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029672521	0	54	0.0	-73.14	400.05	3.84	-69.30
C[N@H+]1CC=C(CC(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029672554	0	55	0.0	-71.93	425.47	4.77	-67.16
C[N@@H+]1CC=C(CC(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029672554	1	55	0.0	-71.93	425.47	4.77	-67.16
CC1(C)C[C@@H](CNC(=O)CC2([NH+]3CCCC3)CC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672563	0	58	0.0	-72.49	432.58	5.12	-67.37
CN(C)CC1=CC=C(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029672607	0	54	0.0	-84.04	429.65	4.14	-79.90
C[NH+](C)CC1=CC=C(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029672607	1	54	0.0	-84.04	429.65	4.14	-79.90
CC1(C)C[C@@H](CNC(=O)C=CC[NH+]2CCCC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672623	0	55	0.0	-79.93	427.06	4.74	-75.19
CC1(C)C[C@@H](CNC(=O)C2CC[NH+](C3CC3)CC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672644	0	58	0.0	-79.51	440.30	5.51	-74.00
CC1(C)C[C@@H](CNC(=O)CC[NH+]2CCCC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672665	0	54	0.0	-76.44	414.65	4.16	-72.28
CC1(C)C[C@@H](CNC(=O)C2C[NH+]3CCN2CC3)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672699	0	54	0.0	-82.00	403.53	0.90	-81.10
C[N@@H+]1CC2CC1(C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300029672709	0	52	0.0	-78.48	399.20	3.37	-75.11
CC1(C)C[C@@H](CNC(=O)C[N@@H+]2CC3CCC2C3)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672721	0	55	0.0	-72.16	411.57	4.34	-67.82
CC1(C)C[C@@H](CNC(=O)C[N@H+]2CC3CCC2C3)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672721	1	55	0.0	-72.16	411.57	4.34	-67.82
CC1(C)C[C@@H](CNC(=O)C=C2C[NH+]3CCC2CC3)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672762	0	56	0.0	-70.08	422.65	4.81	-65.27
CC1(C)C[C@@H](CNC(=O)CN2CC3C=CC2C3)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672772	0	53	0.0	-73.33	405.46	4.41	-68.92
CC1(C)C[C@@H](CNC(=O)C[N@@H+]2CC3C=CC2C3)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672772	1	53	0.0	-72.61	405.99	4.42	-68.19
CC1(C)C[C@@H](CNC(=O)C[N@H+]2CC3C=CC2C3)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672772	1	53	0.0	-72.61	405.99	4.42	-68.19
CC(C[NH+](C)C)C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029672820	0	53	0.0	-76.94	404.56	3.68	-73.26
C[N@@H+]1CCCCC1CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029672890	0	57	0.0	-68.66	418.08	4.48	-64.18
C[N@H+]1CCCCC1CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029672890	1	57	0.0	-79.29	426.18	4.59	-74.70
CC1=C2C=C(C(=O)NC[C@@H]3CC(C)(C)CN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029672906	1	52	0.0	-80.72	418.70	6.52	-74.20
CC(C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300029672907	1	54	0.0	-71.78	415.91	4.07	-67.71
CC1CC[N@@H+]1CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029672910	1	51	0.0	-73.61	398.52	3.50	-70.11
CC1CC[N@H+]1CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029672910	1	51	0.0	-73.95	397.64	3.49	-70.46
C[NH+](C)CC(O)CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029672914	0	54	0.0	-81.39	418.78	1.46	-79.93
CC1C[N@H+](C)CC(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029672941	1	55	0.0	-91.09	424.70	3.59	-87.50
CC1C[N@@H+](C)CC(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029672941	1	55	0.0	-83.56	417.61	3.45	-80.11
CC1(C)C[C@@H](CNC(=O)CC[NH+]2CCC(O)CC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672950	0	58	0.0	-79.50	441.42	1.50	-78.00
CCC[N@@H+]1CCCCC1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029672952	0	60	0.0	-71.28	439.03	5.24	-66.04
CCC[N@H+]1CCCCC1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029672952	1	60	0.0	-72.72	439.10	5.25	-67.47
C[NH+](C)[C@H]1C[C@H](C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029673022	0	54	0.0	-75.63	416.93	4.13	-71.50
CC(CC[NH+](C)C)C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029673030	0	56	0.0	-77.54	426.39	4.33	-73.21
C[N@H+](CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029673050	0	58	0.0	-69.62	437.71	1.81	-67.81
C[N@@H+](CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029673050	1	58	0.0	-72.89	438.21	1.61	-71.28
C#CC[N@H+]1CCCCC1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029673056	1	56	0.0	-70.22	434.52	5.16	-65.06
C#CC[N@@H+]1CCCCC1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029673056	1	56	0.0	-71.65	425.04	5.06	-66.59
C[NH+]1CCN(CC(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029673059	1	56	0.0	-76.34	425.37	1.96	-74.38
CC[NH+]1CCN(CC(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029673068	0	59	0.0	-75.07	442.57	2.57	-72.50
CC1(C)C[C@@H](CNC(=O)CSC(N)=[NH2+])N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029673092	0	45	0.0	-78.18	375.68	-0.73	-78.91
CC[N@@H+]1CCOCC1CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029673127	0	58	0.0	-76.44	429.91	2.73	-73.71
C[NH+](C)C1CCC(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029673142	0	60	0.0	-82.03	446.00	5.23	-76.80
C[NH+](C)CCC1(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029673143	0	57	0.0	-53.55	432.38	6.12	-47.43
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029673145	0	60	0.0	-68.10	438.66	5.14	-62.96
C[N@@H+]1CC=CCC1CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029673146	0	55	0.0	-80.45	416.76	4.50	-75.95
C[N@H+]1CC=CCC1CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029673146	1	55	0.0	-80.45	416.76	4.50	-75.95
C[C@@H](OCC[NH+](C)C)C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029673167	0	57	0.0	-72.04	442.82	4.16	-67.88
C[NH+]1C2CCC1CC(C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300029673193	0	58	0.0	-76.37	426.21	4.65	-71.72
CC(C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300029673299	1	55	0.0	-74.64	425.91	4.41	-70.23
CCC1C[NH+](CC(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029673301	1	54	0.0	-76.12	419.88	4.27	-71.85
CC1(C)C[C@@H](CNC(=O)C2([NH+]3CCCC3)CCC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029673303	0	58	0.0	-76.36	427.10	5.10	-71.26
C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029673312	1	51	0.0	-75.57	387.29	2.94	-72.63
CC1(C)C[C@@H](CNC(=O)CC[N@H+]2CCC(F)C2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029673319	1	54	0.0	-80.62	421.36	4.21	-76.41
COC1C[N@@H+](C)C(C)(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029673327	1	58	0.0	-59.02	423.47	4.37	-54.65
CC1(C)C[C@@H](CNC(=O)CC[NH+]2CCCCCC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029673335	0	60	0.0	-78.79	440.27	5.06	-73.73
CC1(C)C[C@@H](CNC(=O)C[NH+]2CCCCC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029673337	0	54	0.0	-74.53	408.28	4.30	-70.23
CC1C(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029673347	0	54	0.0	-75.86	409.58	3.76	-72.10
CC1C(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029673347	1	54	0.0	-76.04	406.52	3.61	-72.43
C[N@@H+]1CCCCC1CCC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029673349	0	60	0.0	-75.30	448.16	5.32	-69.98
C[N@H+]1CCCCC1CCC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029673349	1	60	0.0	-74.52	448.22	5.34	-69.18
CC1(C)C[C@@H](CNC(=O)C2CC[N@@H+]3CCOCC23)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029673377	0	56	0.0	-80.39	425.85	2.72	-77.67
CC1(C)C[C@@H](CNC(=O)C2CC[N@H+]3CCOCC23)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029673377	1	56	0.0	-76.08	423.23	2.73	-73.35
CC1=[NH+]C=C2C=CC(C(=O)NC[C@@H]3CC(C)(C)CN3C(=O)C3=CC(=O)[N-]O3)=CN21	REAL300029673382	0	52	0.0	-73.19	417.94	5.72	-67.47
CN1CCOCC1CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029673396	0	55	0.0	-68.37	409.44	2.10	-66.27
C[N@@H+]1CCOCC1CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029673396	1	55	0.0	-71.91	409.28	2.08	-69.83
C[N@H+]1CCOCC1CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029673396	1	55	0.0	-68.37	409.44	2.10	-66.27
CC1=C(C)[NH+]=C(CCC(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)N1	REAL300029673404	1	55	0.0	-70.95	436.55	3.70	-67.25
C[N@H+]1CCCC1C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029673574	1	51	0.0	-70.56	387.92	2.99	-67.57
CC1=[NH+]C=CN1CCCC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029673758	1	55	0.0	-68.52	440.83	5.41	-63.11
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CC[NH+]2CCOCC2)C1	REAL300029673763	1	55	0.0	-74.92	425.10	2.54	-72.38
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300029673788	1	49	0.0	-74.61	390.69	6.32	-68.29
C[NH+](C)C1CCCC(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029673834	0	60	0.0	-53.24	433.82	5.87	-47.37
C[N@@H+]1CCC(CC(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029673837	0	54	0.0	-73.24	416.34	4.12	-69.12
C[N@H+]1CCC(CC(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029673837	1	54	0.0	-73.49	415.72	4.16	-69.33
CCC(C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029673852	0	53	0.0	-67.02	395.49	3.33	-63.69
C[NH+](C)CCCCC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029673908	0	56	0.0	-74.14	435.19	4.65	-69.49
CCC[N@H+](C)CCC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029673928	0	56	0.0	-73.26	431.43	4.50	-68.76
CCC[N@@H+](C)CCC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029673928	1	56	0.0	-73.21	431.49	4.47	-68.74
CCC[N@H+](C)CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029673932	0	53	0.0	-70.44	408.79	3.96	-66.48
CCC[N@@H+](C)CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029673932	1	53	0.0	-70.06	409.07	3.91	-66.15
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300029673950	0	55	0.0	-68.11	399.38	4.26	-63.85
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300029673950	1	55	0.0	-73.34	402.94	3.34	-70.00
CCCCCC[N@H+](C)CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029673975	0	62	0.0	-71.69	473.29	6.30	-65.39
CCCCCC[N@@H+](C)CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029673975	1	62	0.0	-71.39	473.56	6.25	-65.14
CC1CC[NH+](CC(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029674008	0	57	0.0	-70.61	432.42	4.98	-65.63
C[NH+]1CCC(OCC(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029674029	0	58	0.0	-78.73	449.79	4.61	-74.12
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300029674064	0	58	0.0	-69.92	434.32	5.09	-64.83
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300029674064	1	58	0.0	-74.01	434.19	5.08	-68.93
C[NH+](C)CC1(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029674074	0	54	0.0	-69.12	413.25	5.10	-64.02
CC(C)[NH+]1CCC(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029674084	0	60	0.0	-72.80	441.19	4.89	-67.91
CC[N@H+](C)CCC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029674103	0	53	0.0	-73.09	409.45	3.74	-69.35
CC[N@@H+](C)CCC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029674103	1	53	0.0	-73.04	409.45	3.75	-69.29
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300029674131	0	55	0.0	-76.55	408.68	4.13	-72.42
C[NH+]1CCC(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029674195	0	54	0.0	-75.81	410.56	3.93	-71.88
CC[NH+](CC)CC(F)C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029674277	0	56	0.0	-73.30	430.76	4.51	-68.79
CC(C)C[N@@H+]1CCC(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029674301	0	60	0.0	-70.11	452.37	5.41	-64.70
CC(C)C[N@H+]1CCC(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029674301	1	60	0.0	-71.33	449.48	5.31	-66.02
CCC(C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300029674326	0	59	0.0	-64.55	428.92	4.44	-60.11
CC1CCC[N@@H+]1CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029674342	0	54	0.0	-66.93	408.01	3.91	-63.02
CC1CCC[N@H+]1CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029674342	1	54	0.0	-67.38	415.01	4.28	-63.10
CC(C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300029674390	0	60	0.0	-59.42	432.63	5.59	-53.83
CC(C)[N@@H+]1CCCC1C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029674409	0	57	0.0	-64.03	410.67	5.40	-58.63
CC(C)[N@H+]1CCCC1C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029674409	1	57	0.0	-65.85	424.06	4.42	-61.43
CC(C)[N@@H+]1CCCC1CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029674414	0	60	0.0	-64.94	442.78	5.88	-59.06
CC(C)[N@H+]1CCCC1CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029674414	1	60	0.0	-65.86	443.68	6.07	-59.79
CC1CC[N@H+](CC(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029674441	0	54	0.0	-69.13	415.18	4.18	-64.95
CC1CC[N@@H+](CC(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029674441	1	54	0.0	-68.58	416.09	4.16	-64.42
CC1(C)CC[N@@H+](CC(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029674444	0	57	0.0	-69.09	434.69	4.73	-64.36
CC1(C)CC[N@H+](CC(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029674444	1	57	0.0	-69.64	434.47	4.78	-64.86
C[N@H+](CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029674445	0	59	0.0	-70.44	436.86	4.95	-65.49
C[N@@H+](CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029674445	1	59	0.0	-70.48	439.17	5.05	-65.43
CC[C@@H](C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029674452	0	53	0.0	-66.97	397.24	3.36	-63.61
CC1=[NH+]C=CN1CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029674627	1	49	0.0	-66.11	398.98	4.16	-61.95
CC(C[NH+]1CCOCC1)C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029674628	1	58	0.0	-73.13	437.01	2.98	-70.15
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CCC[NH+]2CCCCC2)C1	REAL300029674641	0	60	0.0	-72.06	455.34	5.76	-66.30
C[NH+](C)CC1=CC(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=NO1	REAL300029674651	1	53	0.0	-78.41	425.28	3.81	-74.60
CC1=C(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300029674652	0	52	0.0	-74.44	416.75	6.96	-67.48
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029674684	1	55	0.0	-64.96	435.59	5.27	-59.69
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300029674712	0	58	0.0	-56.64	427.90	5.95	-50.69
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300029674712	1	58	0.0	-63.31	430.37	5.08	-58.23
CC[N@@H+]1CCOC(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029674726	1	55	0.0	-72.52	408.88	4.03	-68.49
CC[N@H+]1CCOC(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029674726	1	55	0.0	-71.58	412.85	3.19	-68.39
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300029674764	0	49	0.0	-68.62	390.52	6.50	-62.12
CC1=C[NH+]=CN1CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029674769	1	49	0.0	-69.72	399.33	4.89	-64.83
C[C@@H]1[C@H](C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029674781	0	54	0.0	-76.65	405.11	3.46	-73.19
C[C@@H]1[C@H](C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029674781	1	54	0.0	-75.23	411.82	3.74	-71.49
CC[C@@H]1[C@@H](C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029674784	0	57	0.0	-74.21	422.34	4.10	-70.11
CC[C@@H]1[C@@H](C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029674784	1	57	0.0	-73.73	428.51	4.39	-69.34
CC1CCC(C)[NH+]1CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029674792	0	57	0.0	-66.75	426.54	4.38	-62.37
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CCC[NH+]2CCCC2)C1	REAL300029674798	0	57	0.0	-71.65	438.64	4.99	-66.66
C#CC[NH+]1CCC(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029674803	0	56	0.0	-76.48	432.55	6.09	-70.39
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CC[NH+]2CCCCC2)C1	REAL300029674804	0	57	0.0	-71.72	433.86	4.96	-66.76
C[NH+](C)C1(CC(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029674839	0	60	0.0	-75.45	433.41	5.02	-70.43
C[N@H+](CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029674954	0	54	0.0	-67.87	415.78	4.54	-63.33
C[N@@H+](CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029674954	1	54	0.0	-68.44	415.80	4.54	-63.90
CC(C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300029674971	0	60	0.0	-59.35	432.98	5.57	-53.78
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CCCC[NH+]2CCCC2)C1	REAL300029674983	0	60	0.0	-72.97	459.56	5.72	-67.25
C[NH+]1CCC(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029674994	0	54	0.0	-75.81	410.56	3.93	-71.88
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029675025	0	51	0.0	-68.56	387.94	3.01	-65.55
C[N@H+]1CCC[C@@H]1C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029675025	1	51	0.0	-67.06	390.62	3.40	-63.66
C[N@@H+]1CCCC1CCC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029675050	0	57	0.0	-70.39	431.20	4.61	-65.78
C[N@H+]1CCCC1CCC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029675050	1	57	0.0	-75.20	433.10	4.91	-70.29
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300029675059	0	58	0.0	-64.86	432.29	5.21	-59.65
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300029675059	1	58	0.0	-66.53	429.31	4.98	-61.55
CCC[N@@H+]1CCCC(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029675115	0	60	0.0	-65.12	446.88	6.27	-58.85
CCC[N@H+]1CCCC(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029675115	1	60	0.0	-57.37	439.50	6.46	-50.91
CC(C)[N@@H+]1CCOC(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029675126	1	58	0.0	-78.68	437.48	3.92	-74.76
CC(C)[N@H+]1CCOC(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029675126	1	58	0.0	-69.66	429.64	3.70	-65.96
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300029675175	0	58	0.0	-71.94	443.32	1.72	-70.22
CC1C(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029675215	0	54	0.0	-74.78	411.44	3.84	-70.94
CC1C(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029675215	1	54	0.0	-72.89	405.32	3.72	-69.17
C[N@@H+]1CCCCC1CCC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029675217	0	60	0.0	-69.86	450.98	5.45	-64.41
C[N@H+]1CCCCC1CCC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029675217	1	60	0.0	-76.22	443.78	5.26	-70.96
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC3=C(CCC3)[NH+]=C2N)C1	REAL300029675243	1	54	0.0	-59.42	417.51	4.08	-55.34
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029675287	0	57	0.0	-67.47	400.45	4.12	-63.35
CC(C)(C)[N@H+]1CCC1C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029675287	1	57	0.0	-66.37	396.83	4.36	-62.01
C[C@@H](C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029675304	0	50	0.0	-68.37	384.24	2.84	-65.53
C=CCC(C)(C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029675321	0	57	0.0	-71.71	407.92	5.15	-66.56
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CC[NH+]2CCCC2)C1	REAL300029675343	0	54	0.0	-72.07	417.15	4.19	-67.88
C[N@H+](CCO)CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029675352	1	51	0.0	-71.17	397.92	-0.07	-71.24
C[N@@H+](CCO)CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029675352	1	51	0.0	-70.66	397.61	0.01	-70.65
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300029675385	0	57	0.0	-83.20	412.07	2.00	-81.20
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300029675385	1	57	0.0	-81.04	412.28	1.92	-79.12
CC(C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300029675403	1	55	0.0	-64.79	421.67	5.16	-59.63
C[N@H+]1CC=C(CC(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029675431	0	55	0.0	-69.30	428.46	4.87	-64.43
C[N@@H+]1CC=C(CC(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029675431	1	55	0.0	-66.74	428.96	4.85	-61.89
C[S+](C)CCC(O)C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029675443	0	53	0.0	-78.49	429.49	1.89	-76.60
CN1CC[N@H+](C)CC(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029675468	0	59	0.0	-61.74	432.70	3.26	-58.48
CN1CC[N@@H+](C)CC(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029675468	1	59	0.0	-63.28	431.81	2.74	-60.54
CC(C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300029675469	0	58	0.0	-68.43	437.66	1.64	-66.79
CC(C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[N@H+]1CCCC(O)C1	REAL300029675469	1	58	0.0	-69.73	435.55	1.57	-68.16
C[N@@H+]1CCCC(O)(CC(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029675500	0	58	0.0	-64.88	429.90	2.62	-62.26
C[N@H+]1CCCC(O)(CC(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029675500	1	58	0.0	-71.25	427.28	2.81	-68.44
CC1C[NH+](CC(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029675504	1	51	0.0	-70.72	400.82	3.65	-67.07
CC[N@@H+]1CCCC(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029675509	0	57	0.0	-64.39	425.30	5.52	-58.87
CC[N@H+]1CCCC(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029675509	1	57	0.0	-70.46	427.07	4.52	-65.94
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CC2=CC=C[NH+]=C2N)C1	REAL300029675515	0	50	0.0	-64.91	404.07	2.32	-62.59
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300029675525	0	55	0.0	-65.78	423.18	4.90	-60.88
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300029675525	1	55	0.0	-65.56	420.10	4.74	-60.82
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C=CC[NH+]2CCCC2)C1	REAL300029675563	0	55	0.0	-75.10	429.08	4.86	-70.24
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300029675582	0	58	0.0	-73.67	434.26	5.12	-68.55
CC[N@H+](C)CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029675614	0	50	0.0	-70.19	387.30	3.23	-66.96
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CN2CC3C=CC2C3)C1	REAL300029675658	0	53	0.0	-68.25	409.20	4.50	-63.75
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300029675658	1	53	0.0	-68.33	409.04	4.44	-63.89
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300029675658	1	53	0.0	-68.33	409.04	4.44	-63.89
CC(OCC[NH+](C)C)C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029675775	0	57	0.0	-57.48	437.15	4.91	-52.57
C[NH+](C)CCOCCC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029675784	0	57	0.0	-72.30	446.61	3.33	-68.97
COCCN(C)CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029675786	0	54	0.0	-69.93	419.96	2.37	-67.56
COCC[N@H+](C)CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029675786	1	54	0.0	-71.80	419.90	2.39	-69.41
COCC[N@@H+](C)CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029675786	1	54	0.0	-71.80	419.90	2.39	-69.41
CC(CCC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029675791	0	56	0.0	-76.79	423.29	4.25	-72.54
CC[N@H+](CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029675813	0	54	0.0	-68.67	412.26	4.45	-64.22
CC1C[N@@H+]2CCN1C(C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029675823	0	57	0.0	-70.17	405.62	2.12	-68.05
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029675849	1	54	0.0	-71.91	433.24	3.20	-68.71
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300029675855	0	55	0.0	-67.15	413.48	4.41	-62.74
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300029675855	1	55	0.0	-68.15	416.25	4.60	-63.55
CC(C[NH+](C)C)C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029675872	0	53	0.0	-72.47	404.44	3.52	-68.95
C[C@H](C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029675905	0	50	0.0	-60.08	379.96	3.54	-56.54
CC[N@@H+]1CCC1C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029675912	1	51	0.0	-70.34	400.73	3.49	-66.85
CC[N@H+]1CCC1C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029675912	1	51	0.0	-70.11	400.56	3.50	-66.61
CC(C)[N@@H+]1CCCC(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029675922	0	60	0.0	-64.10	441.86	6.03	-58.07
CC(C)[N@H+]1CCCC(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029675922	1	60	0.0	-69.50	443.68	5.03	-64.47
CCC(C)(C)[NH2+]C(C)C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029675933	0	59	0.0	-65.94	431.39	2.80	-63.14
C#CC[N@H+]1CCCCC1C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029675971	1	56	0.0	-61.42	430.56	6.11	-55.31
C#CC[N@@H+]1CCCCC1C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029675971	1	56	0.0	-67.21	434.69	5.26	-61.95
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029675972	1	53	0.0	-61.58	413.38	4.00	-57.58
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=C[NH+]=CC=C2N)C1	REAL300029675973	0	47	0.0	-69.18	372.59	1.34	-67.84
CCCC(C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029675982	0	56	0.0	-70.38	422.30	4.37	-66.01
CC(CC[NH+](C)C)C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029676003	0	56	0.0	-63.90	424.09	4.97	-58.93
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029676093	0	57	0.0	-68.32	428.14	4.32	-64.00
C[N@H+]1CC(C)(C)CC1C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029676093	1	57	0.0	-69.42	427.21	4.20	-65.22
C[NH+](C)CCCCCC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029676098	0	59	0.0	-73.31	456.71	5.44	-67.87
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CC[NH+]2CCC(O)CC2)C1	REAL300029676102	0	58	0.0	-75.54	444.48	1.56	-73.98
CCC[N@@H+]1CCCCC1C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029676105	0	60	0.0	-64.71	436.81	6.03	-58.68
CCC[N@H+]1CCCCC1C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029676105	1	60	0.0	-60.49	444.31	6.17	-54.32
C[NH+]1CCN(CC(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029676113	1	56	0.0	-70.72	428.95	2.04	-68.68
CC1C[N@H+](C)CC(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300029676197	1	55	0.0	-82.59	412.82	4.26	-78.33
CC1C[N@@H+](C)CC(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300029676197	1	55	0.0	-83.03	416.35	3.43	-79.60
CCC1CCC[N@H+](CC(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029676227	0	60	0.0	-70.78	450.54	5.67	-65.11
CCC1CCC[N@@H+](CC(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029676227	1	60	0.0	-70.71	450.60	5.66	-65.05
C[NH+](C)CC1=CC=C(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)N1	REAL300029676235	0	55	0.0	-86.46	427.05	4.95	-81.51
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C[NH+]2CC3CC3C2)C1	REAL300029676249	0	52	0.0	-70.11	405.32	4.39	-65.72
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CC2([NH+]3CCCC3)CC2)C1	REAL300029676262	0	58	0.0	-68.29	434.42	5.28	-63.01
C[N@@H+]1CCCCC1C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029676293	0	54	0.0	-67.47	409.85	4.06	-63.41
C[N@H+]1CCCCC1C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029676293	1	54	0.0	-59.44	405.45	4.94	-54.50
C[N@@H+]1CCC(=CC(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029676385	0	52	0.0	-74.80	408.06	4.04	-70.76
C[N@H+]1CCC(=CC(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029676385	1	52	0.0	-75.15	406.04	4.08	-71.07
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300029676390	0	50	0.0	-71.62	405.29	1.82	-69.80
CC[NH+]1CCN(CC(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029676436	0	59	0.0	-70.17	446.08	2.64	-67.53
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C=C2C[NH+]3CCC2CC3)C1	REAL300029676437	0	56	0.0	-65.52	424.68	4.93	-60.59
C[N@H+](CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029676474	0	58	0.0	-66.54	440.82	1.70	-64.84
C[N@@H+](CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029676474	1	58	0.0	-67.41	440.61	1.89	-65.52
C[N@@H+]1CCC[C@H]1C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029676490	0	51	0.0	-67.49	394.06	3.46	-64.03
C[N@H+]1CCC[C@H]1C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029676490	1	51	0.0	-70.49	387.98	3.01	-67.48
CCN1CCOCC1CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029676515	0	58	0.0	-71.59	433.28	3.90	-67.69
CC[N@@H+]1CCOCC1CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029676515	1	58	0.0	-64.92	428.13	3.63	-61.29
CC[N@H+]1CCOCC1CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029676515	1	58	0.0	-64.92	428.13	3.63	-61.29
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=C3NC(N)=NC3=C2)C1	REAL300029676582	0	51	0.0	-69.37	404.60	4.21	-65.16
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=C3NC(N)=[NH+]C3=C2)C1	REAL300029676582	1	51	0.0	-69.37	404.60	4.21	-65.16
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029676611	0	54	0.0	-73.50	418.33	4.18	-69.32
C[NH+](C)C1CCC(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029676624	0	60	0.0	-76.83	444.82	5.08	-71.75
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029676626	0	60	0.0	-63.11	438.36	4.92	-58.19
C[N@@H+]1CC=CCC1CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029676627	0	55	0.0	-61.78	416.12	4.56	-57.22
C[N@H+]1CC=CCC1CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029676627	1	55	0.0	-61.78	416.12	4.56	-57.22
CC1=CC(C=CC(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=CN=C1N	REAL300029676672	0	54	0.0	-75.38	434.30	3.48	-71.90
CC1=CC(C=CC(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=C[NH+]=C1N	REAL300029676672	1	54	0.0	-75.38	434.30	3.48	-71.90
C[NH+](C)CCOCC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029676683	0	54	0.0	-69.71	425.51	3.56	-66.15
CCCCC[N@H+](C)CCC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029676689	0	62	0.0	-74.16	474.43	6.04	-68.12
CCCCC[N@@H+](C)CCC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029676689	1	62	0.0	-74.16	474.43	6.04	-68.12
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300029676699	0	58	0.0	-72.16	444.55	4.35	-67.81
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CN2C=CSC2=[NH2+])C1	REAL300029676716	0	47	0.0	-66.43	396.64	2.72	-63.71
C[C@@H](OCC[NH+](C)C)C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029676774	0	57	0.0	-55.07	437.18	4.72	-50.35
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CC[NH+]2CCCCCC2)C1	REAL300029676804	0	60	0.0	-72.47	441.29	5.31	-67.16
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C[NH+]2CCCCC2)C1	REAL300029676808	0	54	0.0	-70.36	411.05	4.37	-65.99
C[N@@H+]1CCCC(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029676810	0	54	0.0	-62.77	404.36	4.05	-58.72
C[N@H+]1CCCC(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029676810	1	54	0.0	-55.61	400.46	5.03	-50.58
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300029676811	0	58	0.0	-71.94	443.32	1.72	-70.22
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C[NH+]2CCCCCC2)C1	REAL300029676812	0	57	0.0	-68.76	420.78	4.55	-64.21
CN1C=C[N+](CC(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029676817	0	49	0.0	-67.75	401.17	6.04	-61.71
C[NH+](C)CC1=CC=C(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300029676830	1	54	0.0	-80.36	431.96	4.38	-75.98
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300029676843	1	55	0.0	-73.77	422.66	1.02	-72.75
C[N@H+](CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029676848	0	51	0.0	-66.65	399.11	3.90	-62.75
C[N@@H+](CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029676848	1	51	0.0	-67.96	398.99	3.95	-64.01
CC(C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300029676850	1	59	0.0	-62.43	434.28	2.87	-59.56
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CC[N@@H+]2CCC(F)C2)C1	REAL300029676852	0	54	0.0	-76.53	423.88	4.28	-72.25
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CC[N@H+]2CCC(F)C2)C1	REAL300029676852	1	54	0.0	-77.03	424.03	4.33	-72.70
CC(CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029676876	0	56	0.0	-72.80	427.03	4.53	-68.27
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300029676891	0	56	0.0	-59.19	417.23	3.62	-55.57
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2CC[N@H+]3CCOCC23)C1	REAL300029676891	1	56	0.0	-70.30	422.00	2.54	-67.76
CC1=[NH+]C=C2C=CC(C(=O)N3CC(C)(C)C[C@H]3CNC(=O)C3=CC(=O)[N-]O3)=CN21	REAL300029676896	0	52	0.0	-64.71	411.93	6.08	-58.63
C[N@@H+]1CCOCC1CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029676910	1	55	0.0	-67.42	412.69	2.26	-65.16
C[N@H+]1CCOCC1CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029676910	1	55	0.0	-64.19	412.95	2.20	-61.99
CC[NH+]1CCN(CC(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029676916	0	59	0.0	-70.17	446.08	2.64	-67.53
CC1=CC(N)=[NH+]C=C1C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029676956	1	50	0.0	-69.18	393.96	2.48	-66.70
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CCC2=CC=C(N)[NH+]=C2)C1	REAL300029676959	0	53	0.0	-70.95	428.37	3.06	-67.89
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C[N@@H+]2CCC(C)(O)C2)C1	REAL300029676991	0	55	0.0	-68.27	425.85	0.93	-67.34
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C[N@H+]2CCC(C)(O)C2)C1	REAL300029676991	1	55	0.0	-68.86	425.71	0.90	-67.96
C[NH+]1CC(CC(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029677023	0	51	0.0	-72.62	401.11	3.35	-69.27
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300029677028	0	58	0.0	-71.82	441.01	5.46	-66.36
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300029677028	1	58	0.0	-70.66	443.15	5.32	-65.34
C[NH+](C)CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029677036	0	47	0.0	-70.94	369.51	2.51	-68.43
C[N@H+](CCO)CCC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029677062	0	54	0.0	-71.85	420.29	0.53	-71.32
C[N@@H+](CCO)CCC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029677062	1	54	0.0	-71.89	420.30	0.54	-71.35
C[C@@H](C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029677063	0	50	0.0	-68.37	384.24	2.84	-65.53
C[N@@H+]1CCCCC1CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029677079	0	57	0.0	-69.17	424.03	5.49	-63.68
C[N@H+]1CCCCC1CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029677079	1	57	0.0	-74.91	428.93	4.76	-70.15
CC1=C2C=C(C(=O)N3CC(C)(C)C[C@H]3CNC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029677096	1	52	0.0	-74.27	412.70	7.06	-67.21
CC(C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300029677097	0	54	0.0	-62.39	413.72	4.80	-57.59
CC1CC[N@@H+]1CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029677100	1	51	0.0	-68.20	395.15	3.35	-64.85
CC1CC[N@H+]1CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029677100	1	51	0.0	-68.27	395.05	3.33	-64.94
C[NH+](C)CC=CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029677110	0	51	0.0	-76.37	406.38	3.75	-72.62
CC1(C)C[NH+](CC(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029677122	1	54	0.0	-71.09	419.85	4.14	-66.95
CC1=C(C)[NH+]=C(CCC(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)N1	REAL300029677139	1	55	0.0	-66.29	440.08	3.81	-62.48
CC1=C2C=C(C(=O)N3CC(C)(C)C[C@H]3CNC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029677149	1	52	0.0	-74.27	412.70	7.06	-67.21
C[NH+](C)CCSCC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029677157	0	54	0.0	-77.56	436.73	4.48	-73.08
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C[N@@H+]2CCCC2CO)C1	REAL300029677180	0	55	0.0	-66.04	415.70	1.05	-64.99
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C[N@H+]2CCCC2CO)C1	REAL300029677180	1	55	0.0	-69.77	423.67	0.99	-68.78
CC[NH+](CC)CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029677184	0	53	0.0	-68.68	400.48	3.58	-65.10
C[N@H+](CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029677194	0	55	0.0	-74.81	429.18	4.74	-70.07
C[N@@H+](CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029677194	1	55	0.0	-74.63	429.11	4.74	-69.89
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C[NH+]2CCC2)C1	REAL300029677196	1	48	0.0	-70.31	379.88	2.91	-67.40
CC[NH+](CC)CCC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029677232	0	56	0.0	-72.38	422.58	4.18	-68.20
C[NH+](C)CC1=CNC(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029677283	0	55	0.0	-72.57	426.73	4.84	-67.73
CC(C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300029677296	0	58	0.0	-69.38	435.06	2.25	-67.13
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300029677301	0	56	0.0	-73.86	425.15	2.70	-71.16
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2CC3COCC[N@H+]3C2)C1	REAL300029677301	1	56	0.0	-73.26	423.92	2.68	-70.58
CC(C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300029677313	1	51	0.0	-68.42	392.83	3.29	-65.13
CCC(CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029677319	0	59	0.0	-73.71	440.46	5.01	-68.70
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C=CC2=CC=C(N)[NH+]=C2)C1	REAL300029677324	0	51	0.0	-74.29	415.70	2.76	-71.53
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029677371	0	54	0.0	-64.83	397.38	4.66	-60.17
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029677371	1	54	0.0	-59.17	405.24	4.92	-54.25
CC1CN2CC[N@@H+]1CC2C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029677383	0	57	0.0	-77.86	418.36	1.15	-76.71
CC1CN2CC[N@H+]1CC2C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029677383	1	57	0.0	-75.46	419.16	1.15	-74.31
C[NH+](C)CC(O)CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029677403	0	54	0.0	-76.59	422.11	1.55	-75.04
C[NH+]1C2CCC1CC(C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029677406	0	58	0.0	-68.65	390.07	5.24	-63.41
C=CCC(C(=O)N1CC(C)(C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029677438	0	54	0.0	-66.22	410.82	3.93	-62.29
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300029677445	0	58	0.0	-69.92	434.32	5.09	-64.83
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300029677445	1	58	0.0	-74.01	434.19	5.08	-68.93
C[NH+]1CCC(O)(CC(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029677454	0	58	0.0	-72.66	440.02	2.84	-69.82
CC1=C2C=C(C(=O)NC[C@@H]3CC(C)(C)CN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029677527	1	52	0.0	-80.72	418.70	6.52	-74.20
C[NH+](C)CCSCC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029677536	0	54	0.0	-82.71	434.05	4.34	-78.37
CC1(C)C[C@@H](CNC(=O)C2CC3COCC[N@@H+]3C2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029677544	0	56	0.0	-75.19	424.72	2.78	-72.41
CC1(C)C[C@@H](CNC(=O)C2CC3COCC[N@H+]3C2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029677544	1	56	0.0	-78.23	426.04	2.77	-75.46
C[N@@H+]1CCCC1C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029677706	0	51	0.0	-70.25	392.09	3.38	-66.87
C[N@H+]1CCCC1C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029677706	1	51	0.0	-71.44	392.51	3.49	-67.95
C[N@@H+]1CCOC(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029677730	1	52	0.0	-82.85	397.43	2.70	-80.15
C[N@H+]1CCOC(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029677730	1	52	0.0	-82.89	397.53	2.69	-80.20
CC(C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300029677891	0	60	0.0	-70.11	435.29	4.87	-65.24
CC(C)[N@@H+]1CCCCC1C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029677893	0	60	0.0	-69.35	439.52	4.93	-64.42
CC(C)[N@H+]1CCCCC1C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029677893	1	60	0.0	-69.14	432.98	5.00	-64.14
CC(C)[N@@H+]1CCCC1C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029677914	0	57	0.0	-69.62	428.14	4.63	-64.99
CC(C)[N@H+]1CCCC1C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029677914	1	57	0.0	-70.63	426.04	4.52	-66.11
CC1(C)CC(CNC(=O)C2CC3CCCC[N@@H+]3C2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029677930	0	58	0.0	-75.75	434.73	5.16	-70.59
CC1(C)CC(CNC(=O)C2CC3CCCC[N@H+]3C2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029677930	1	58	0.0	-78.03	434.74	5.11	-72.92
CC(C)C1=[NH+]C=CN1CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029677951	1	55	0.0	-69.85	432.07	5.15	-64.70
CC1=[NH+]C=CN1CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029677981	1	49	0.0	-70.83	395.57	4.01	-66.82
CC(C[NH+]1CCOCC1)C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029677982	0	58	0.0	-77.58	437.63	3.18	-74.40
CC1(C)CC(CNC(=O)CCC[NH+]2CCCCC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029677998	0	60	0.0	-76.74	451.36	5.61	-71.13
CC(C)(C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300029678016	0	60	0.0	-51.16	423.21	6.14	-45.02
CC1(C)CC(CNC(=O)C2C[NH+]3CCC2CC3)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029678024	0	55	0.0	-85.33	408.43	4.21	-81.12
CC1(C)CC(CNC(=O)C2CCCC3CCC[N@@H+]32)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029678065	0	58	0.0	-67.22	430.96	5.27	-61.95
CC1(C)CC(CNC(=O)C2CCCC3CCC[N@H+]32)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029678065	1	58	0.0	-70.01	423.56	4.94	-65.07
C[C@@H]1[C@H](C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029678079	0	54	0.0	-77.03	404.60	3.84	-73.19
C[C@@H]1[C@H](C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029678079	1	54	0.0	-80.11	409.15	3.61	-76.50
CC[C@@H]1[C@@H](C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029678083	0	57	0.0	-78.73	423.81	4.10	-74.63
CC[C@@H]1[C@@H](C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029678083	1	57	0.0	-76.15	426.92	4.69	-71.46
CC[N@@H+]1CCOC(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029678093	1	55	0.0	-81.94	414.41	3.36	-78.58
CC[N@H+]1CCOC(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029678093	1	55	0.0	-85.70	422.35	3.53	-82.17
CC[NH+](CC)CC(F)C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029678134	0	56	0.0	-74.31	429.26	4.44	-69.87
CC1CCC(C)[NH+]1CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029678197	0	57	0.0	-70.52	423.34	4.29	-66.23
CC1(C)CC(CNC(=O)CCC[NH+]2CCCC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029678203	0	57	0.0	-76.40	436.13	4.96	-71.44
C#CC[NH+]1CCC(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029678208	0	56	0.0	-81.84	435.54	5.25	-76.59
CC1(C)CC(CNC(=O)CC[NH+]2CCCCC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029678209	0	57	0.0	-76.22	429.85	4.83	-71.39
CC[N@@H+]1CCCCC1C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029678215	0	57	0.0	-70.61	417.50	4.48	-66.13
CC[N@H+]1CCCCC1C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029678215	1	57	0.0	-71.36	427.01	4.68	-66.68
CC(C)C[N@@H+]1CCC(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029678229	0	60	0.0	-76.08	451.66	5.44	-70.64
CC(C)C[N@H+]1CCC(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029678229	1	60	0.0	-76.51	451.19	5.40	-71.11
C[NH+](C)C1(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029678233	0	54	0.0	-66.16	384.73	5.46	-60.70
CC(C)[N@@H+]1CCCC1CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029678235	0	60	0.0	-75.04	449.46	5.10	-69.94
CC(C)[N@H+]1CCCC1CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029678235	1	60	0.0	-74.77	445.70	5.04	-69.73
CC(C)[C@@H](C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029678248	0	56	0.0	-72.65	412.80	4.35	-68.30
C[N@H+](CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029678289	0	54	0.0	-72.11	412.35	4.38	-67.73
C[N@@H+](CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029678289	1	54	0.0	-72.71	412.43	4.40	-68.31
CC(C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300029678348	0	60	0.0	-69.13	437.94	4.80	-64.33
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029678407	1	53	0.0	-73.51	412.79	4.17	-69.34
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029678407	1	53	0.0	-72.01	419.76	4.70	-67.31
C[N@@H+]1CCCC1CCC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029678413	0	57	0.0	-80.94	434.59	4.91	-76.03
C[N@H+]1CCCC1CCC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029678413	1	57	0.0	-75.71	427.41	4.43	-71.28
CC1(C)CC(CNC(=O)C23CCC[NH+](CCC2)C3)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029678422	0	58	0.0	-75.87	423.71	4.63	-71.24
CC1(C)CC(CNC(=O)C2CCC3CCCC[N@@H+]32)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029678425	0	58	0.0	-71.09	427.82	4.91	-66.18
CC1(C)CC(CNC(=O)C2CCC3CCCC[N@H+]32)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029678425	1	58	0.0	-70.63	427.96	4.86	-65.77
CC1(C)CC(CNC(=O)CCCC[NH+]2CCCC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029678441	0	60	0.0	-77.13	457.63	5.74	-71.39
C[NH+]1CCC(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029678452	0	54	0.0	-81.90	410.87	4.10	-77.80
C[NH+](C)CC1=CC(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)=NO1	REAL300029678487	1	53	0.0	-82.04	425.32	3.38	-78.66
CC1=C(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300029678488	0	52	0.0	-75.99	410.21	6.28	-69.71
C[N@@H+]1CCCCC1C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029678519	0	54	0.0	-71.81	399.76	3.84	-67.97
C[N@H+]1CCCCC1C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029678519	1	54	0.0	-71.87	408.24	4.03	-67.84
CC(C)C[N@@H+]1CCCC1C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029678541	0	60	0.0	-73.93	446.39	5.09	-68.84
CC(C)C[N@H+]1CCCC1C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029678541	1	60	0.0	-71.86	445.35	5.08	-66.78
CC1(C)CC(CNC(=O)C2=CN3C=[NH+]C=C3C=C2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029678641	0	49	0.0	-76.45	396.48	5.93	-70.52
CC1=[NH+]C=CN1CCCC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029678649	1	55	0.0	-73.89	437.27	5.32	-68.57
CC1(C)CC(CNC(=O)CC[NH+]2CCOCC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029678654	1	55	0.0	-79.38	421.57	2.44	-76.94
CC1=C[NH+]=CN1CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029678684	1	49	0.0	-74.75	396.07	4.77	-69.98
CC1(C)CC(CNC(=O)C23CCC[NH+]2CCC3)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029678723	0	55	0.0	-77.67	411.86	4.40	-73.27
C[NH+](C)C1CCCC(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029678747	0	60	0.0	-69.43	438.73	5.10	-64.33
C[N@@H+]1CCC(CC(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029678750	0	54	0.0	-78.27	412.82	4.01	-74.26
C[N@H+]1CCC(CC(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029678750	1	54	0.0	-78.40	412.76	4.02	-74.38
CN(C)C1=CC=[NH+]C=C1C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029678762	0	53	0.0	-85.87	417.96	3.20	-82.67
CCC(C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029678767	0	53	0.0	-70.05	396.80	3.43	-66.62
C[NH+](C)C1(CC(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029678779	0	60	0.0	-80.21	431.05	4.83	-75.38
CC1(C)CC(CNC(=O)C2=CC3=C[NH+]=CN3C=C2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029678820	1	49	0.0	-83.10	397.65	5.92	-77.18
C[NH+](C)CCCCC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029678874	0	56	0.0	-78.69	431.67	4.57	-74.12
CC(C)C(C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029678894	0	56	0.0	-71.70	415.65	4.56	-67.14
CCC[N@H+](C)CCC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029678896	0	56	0.0	-77.87	427.91	4.36	-73.51
CCC[N@@H+](C)CCC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029678896	1	56	0.0	-77.67	427.90	4.38	-73.29
CCC[N@H+](C)CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029678901	0	53	0.0	-74.58	405.67	3.83	-70.75
CCC[N@@H+](C)CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029678901	1	53	0.0	-74.66	405.54	3.84	-70.82
CC1(C)CC(CNC(=O)C23CC[N@H+](C2)CCC3)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029678924	0	55	0.0	-77.64	408.40	3.63	-74.01
CC1(C)CC(CNC(=O)C23CC[N@@H+](C2)CCC3)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029678924	1	55	0.0	-76.89	409.67	3.65	-73.24
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029678960	0	51	0.0	-72.69	387.25	2.92	-69.77
C[N@H+]1CCC[C@@H]1C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029678960	1	51	0.0	-71.06	392.60	3.49	-67.57
CCCCCC[N@H+](C)CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029679017	0	62	0.0	-75.73	470.17	6.18	-69.55
CCCCCC[N@@H+](C)CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029679017	1	62	0.0	-75.84	470.04	6.18	-69.66
CC[NH+](CC)C(C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300029679021	0	62	0.0	-48.52	436.11	7.03	-41.49
CC[NH+](CC)CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029679030	0	53	0.0	-72.65	397.39	3.51	-69.14
CCC[N@@H+]1CCCC(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029679062	0	60	0.0	-75.14	450.16	5.44	-69.70
CCC[N@H+]1CCCC(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029679062	1	60	0.0	-68.70	443.79	5.64	-63.06
CC(C)[N@@H+]1CCOC(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029679077	0	58	0.0	-79.73	431.02	3.88	-75.85
CC(C)[N@H+]1CCOC(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029679077	1	58	0.0	-79.82	431.22	3.90	-75.92
CC1CC[NH+](CC(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029679106	0	57	0.0	-75.05	429.30	4.91	-70.14
C[NH+]1CCC(OCC(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029679132	0	58	0.0	-83.17	446.25	4.51	-78.66
C[NH+](C)CC1(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029679143	0	54	0.0	-67.14	400.23	4.97	-62.17
CC(C)[NH+]1CCC(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029679216	0	60	0.0	-78.98	441.67	5.05	-73.93
C[NH+]1CCC(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029679234	0	54	0.0	-81.90	410.87	4.10	-77.80
CC(C)[C@H](C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029679252	0	56	0.0	-71.39	416.10	4.57	-66.82
CCC(C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300029679283	0	59	0.0	-67.33	429.97	4.88	-62.45
CC[N@H+](C)CCC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029679339	0	53	0.0	-77.04	406.41	3.62	-73.42
CC[N@@H+](C)CCC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029679339	1	53	0.0	-76.97	406.41	3.64	-73.33
CC1CCC[N@@H+]1CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029679395	0	54	0.0	-71.23	405.98	3.80	-67.43
CC1CCC[N@H+]1CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029679395	1	54	0.0	-71.54	411.60	4.20	-67.34
CC1CC[N@H+](CC(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029679397	0	54	0.0	-73.83	412.62	4.09	-69.74
CC1CC[N@@H+](CC(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029679397	1	54	0.0	-73.45	411.68	4.11	-69.34
CC1(C)CC[N@@H+](CC(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029679401	0	57	0.0	-74.35	432.53	4.64	-69.71
CC1(C)CC[N@H+](CC(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029679401	1	57	0.0	-73.60	431.36	4.67	-68.93
C[N@H+](CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029679402	0	59	0.0	-75.47	434.08	4.90	-70.57
C[N@@H+](CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029679402	1	59	0.0	-73.97	436.66	4.99	-68.98
CC[C@@H](C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029679410	0	53	0.0	-72.45	398.01	3.41	-69.04
C[NH+]1CCC(O)(CC(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029679567	0	58	0.0	-77.31	437.56	2.64	-74.67
C[NH+](C)CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029679579	0	47	0.0	-74.98	366.30	2.42	-72.56
CC1(C)CC(CNC(=O)C[NH+]2CCC(CO)CC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029679583	1	58	0.0	-77.64	439.71	1.60	-76.04
CC1(C)CC(CNC(=O)C[NH+]2CCCCCC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029679584	0	57	0.0	-73.79	417.38	4.48	-69.31
CN1C=C[N+](CC(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029679588	0	49	0.0	-72.97	397.67	5.94	-67.03
C[N@@H+]1CCCC(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029679595	0	54	0.0	-76.46	410.87	4.05	-72.41
C[N@H+]1CCCC(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029679595	1	54	0.0	-68.69	405.52	4.24	-64.45
CC1(C)CC(CNC(=O)C2CCC[N@@H+]2C2CC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029679600	0	55	0.0	-69.98	424.59	4.93	-65.05
CC1(C)CC(CNC(=O)C2CCC[N@H+]2C2CC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029679600	1	55	0.0	-72.67	416.49	4.27	-68.40
CC(C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300029679627	1	51	0.0	-72.59	394.33	3.46	-69.13
CCC(CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029679632	0	59	0.0	-70.09	441.12	5.04	-65.05
C[NH+](C)CC(C)(C)C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029679639	0	56	0.0	-67.89	412.93	4.15	-63.74
CC1(C)CC(CNC(=O)C23CC(C2)C[N@@H+]3C2CC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029679656	0	56	0.0	-61.03	410.94	6.05	-54.98
CC1(C)CC(CNC(=O)C23CC(C2)C[N@H+]3C2CC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029679656	1	56	0.0	-77.52	422.35	5.66	-71.86
CC1(C)CC(CNC(=O)C[NH+]2CCC(O)CC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029679664	1	55	0.0	-78.61	419.38	0.95	-77.66
C[N@H+](CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029679665	0	51	0.0	-71.26	395.58	3.83	-67.43
C[N@@H+](CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029679665	1	51	0.0	-72.20	395.72	3.83	-68.37
CC(C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300029679666	1	59	0.0	-75.44	438.16	2.21	-73.23
C[NH+]1CC(CC(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029679684	0	51	0.0	-75.58	397.75	3.25	-72.33
CC1(C)CC(CNC(=O)C2CC[N@@H+]2C2CCCC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029679688	0	58	0.0	-75.70	439.71	5.37	-70.33
CC1(C)CC(CNC(=O)C2CC[N@H+]2C2CCCC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029679688	1	58	0.0	-75.32	436.75	5.19	-70.13
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029679696	0	57	0.0	-72.02	410.42	4.02	-68.00
CC(C)(C)[N@H+]1CCC1C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029679696	1	57	0.0	-70.77	427.94	4.17	-66.60
C[C@@H](C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029679707	0	50	0.0	-73.28	384.40	2.86	-70.42
CCC1CCC[N@H+](CC(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029679746	0	60	0.0	-74.74	447.30	5.54	-69.20
CCC1CCC[N@@H+](CC(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029679746	1	60	0.0	-75.15	448.23	5.53	-69.62
C[NH+](C)CC1=CC=C(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)N1	REAL300029679753	0	55	0.0	-89.19	434.08	3.58	-85.61
CC1(C)CC(CNC(=O)CN2C=CSC2=[NH2+])N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029679794	0	47	0.0	-70.01	393.20	2.58	-67.43
C[N@H+](CCO)CCC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029679804	0	54	0.0	-77.02	416.75	0.41	-76.61
C[N@@H+](CCO)CCC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029679804	1	54	0.0	-76.54	416.74	0.40	-76.14
C[C@@H](C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029679805	0	50	0.0	-73.28	384.40	2.86	-70.42
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029679809	0	54	0.0	-73.07	398.93	3.87	-69.20
C[N@H+]1CCCC[C@@H]1C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029679809	1	54	0.0	-69.69	408.03	4.01	-65.68
CC1CN2CC[N@@H+]1CC2C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029679817	0	57	0.0	-80.16	420.13	1.38	-78.78
CC1CN2CC[N@H+]1CC2C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029679817	1	57	0.0	-80.38	417.48	1.33	-79.05
CC1(C)CC(CNC(=O)CC2=CC3=C[NH+]=CN3C=C2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029679859	0	52	0.0	-73.96	420.54	6.59	-67.37
C[N@H+](CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029679882	0	55	0.0	-79.62	425.79	4.67	-74.95
C[N@@H+](CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029679882	1	55	0.0	-79.92	425.64	4.64	-75.28
CC1(C)CC(CNC(=O)C[NH+]2CCC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029679883	1	48	0.0	-75.21	377.31	2.83	-72.38
C[N@@H+]1CCC(=CC(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029679913	0	52	0.0	-79.82	405.12	3.95	-75.87
C[N@H+]1CCC(=CC(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029679913	1	52	0.0	-79.50	405.29	3.95	-75.55
C[NH+](C)CCOCC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029679946	0	54	0.0	-76.01	422.18	3.48	-72.53
CCCCC[N@H+](C)CCC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029679952	0	62	0.0	-78.71	470.90	5.92	-72.79
CCCCC[N@@H+](C)CCC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029679952	1	62	0.0	-78.55	470.90	5.94	-72.61
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029679961	0	58	0.0	-77.47	444.74	4.66	-72.81
C=CCC(C)(C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029679968	0	57	0.0	-54.60	408.36	5.60	-49.00
C[S+](C)CCC(O)C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029679973	0	53	0.0	-80.66	429.58	2.04	-78.62
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029679998	0	55	0.0	-50.42	402.40	1.32	-49.10
CN1CC[N@H+](C)CC(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680008	0	59	0.0	-73.35	437.36	2.18	-71.17
CN1CC[N@@H+](C)CC(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680008	1	59	0.0	-73.35	437.36	2.18	-71.17
CC(C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300029680009	0	58	0.0	-74.79	437.16	1.34	-73.45
CC1(C)CC(CNC(=O)CN2CCC(CO)CC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680018	0	58	0.0	-77.64	439.71	1.60	-76.04
CC1(C)CC(CNC(=O)C[NH+]2CCC(CO)CC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680018	1	58	0.0	-77.64	439.71	1.60	-76.04
C[N@@H+]1CCCC(O)(CC(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680027	0	58	0.0	-76.03	425.20	2.69	-73.34
C[N@H+]1CCCC(O)(CC(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680027	1	58	0.0	-76.03	425.20	2.69	-73.34
CC1CN(CC(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680030	0	51	0.0	-76.03	397.32	3.57	-72.46
CC1C[NH+](CC(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680030	1	51	0.0	-76.03	397.32	3.57	-72.46
CN(CCO)CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029680056	0	51	0.0	-75.84	394.39	-0.15	-75.99
C[N@H+](CCO)CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029680056	1	51	0.0	-75.41	394.31	-0.16	-75.57
C[N@@H+](CCO)CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029680056	1	51	0.0	-75.41	394.31	-0.16	-75.57
CC1(C)CC(CNC(=O)C2C[N@@H+]3CCN2CCC3)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680078	0	57	0.0	-85.01	414.10	2.20	-82.81
CC1(C)CC(CNC(=O)C2C[N@H+]3CCN2CCC3)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680078	1	57	0.0	-85.01	414.10	2.20	-82.81
CC[N@@H+]1CCCC(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680084	0	57	0.0	-73.97	428.68	4.72	-69.25
CC[N@H+]1CCCC(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680084	1	57	0.0	-73.97	428.68	4.72	-69.25
CC(CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029680086	0	56	0.0	-78.21	423.22	4.43	-73.78
CC[N@H+](C)CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029680097	0	50	0.0	-74.31	384.04	3.09	-71.22
CC1(C)CC(CNC(=O)C23CCC[N@@H+]2CCCC3)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680121	0	58	0.0	-53.04	401.76	6.00	-47.04
CC1(C)CC(CNC(=O)C23CCC[N@H+]2CCCC3)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680121	1	58	0.0	-53.04	401.76	6.00	-47.04
CC1(C)CC(CNC(=O)C23CCC[N@@H+]2CC=CC3)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680126	0	56	0.0	-55.64	402.09	5.87	-49.77
CC1(C)CC(CNC(=O)C23CCC[N@H+]2CC=CC3)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680126	1	56	0.0	-55.64	402.09	5.87	-49.77
CC[N@H+](CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029680146	0	54	0.0	-71.74	411.95	4.42	-67.32
CC[NH+](CC)CCC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029680162	0	56	0.0	-76.61	419.85	4.06	-72.55
CC1(C)CC(CNC(=O)C[N@@H+]2CCC(C)(O)C2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680210	0	55	0.0	-74.95	422.51	0.82	-74.13
C[NH+](C)CC=CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029680217	0	51	0.0	-79.67	402.27	3.64	-76.03
CC(OCC[NH+](C)C)C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029680238	0	57	0.0	-74.40	441.97	4.17	-70.23
C[NH+](C)CCOCCC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029680246	0	57	0.0	-75.60	443.02	3.20	-72.40
COCCN(C)CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029680247	0	54	0.0	-75.32	416.57	2.24	-73.08
COCC[N@H+](C)CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029680247	1	54	0.0	-76.07	416.64	2.26	-73.81
COCC[N@@H+](C)CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029680247	1	54	0.0	-76.07	416.64	2.26	-73.81
C[NH+](C)C1(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029680280	0	57	0.0	-59.62	406.06	5.97	-53.65
CC(CCC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029680283	0	56	0.0	-75.59	423.18	4.15	-71.44
CCN1CCC1C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029680290	0	51	0.0	-72.95	392.21	3.13	-69.82
CC[N@@H+]1CCC1C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029680290	1	51	0.0	-74.06	397.96	3.44	-70.62
CC[N@H+]1CCC1C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029680290	1	51	0.0	-74.06	397.96	3.44	-70.62
CC(C)[N@@H+]1CCCC(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680300	0	60	0.0	-68.15	438.99	5.43	-62.72
CC(C)[N@H+]1CCCC(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680300	1	60	0.0	-68.15	438.99	5.43	-62.72
CC1(C)CC(CNC(=O)C[N@@H+]2CCCC2CO)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680313	0	55	0.0	-73.68	415.70	0.47	-73.21
CC1(C)CC(CNC(=O)C2CC3CCCC[N@@H+]3C2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680335	0	58	0.0	-78.03	434.74	5.11	-72.92
CC1(C)CC(CNC(=O)C2CC3CCCC[N@H+]3C2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680335	1	58	0.0	-78.03	434.74	5.11	-72.92
C[NH+]1CCC(C)(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029680341	0	57	0.0	-71.82	424.46	4.49	-67.33
CC(C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)N1CCC(O)CC1	REAL300029680361	0	58	0.0	-75.91	436.19	1.38	-74.53
CC(C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300029680361	1	58	0.0	-75.91	436.19	1.38	-74.53
C=CCC(C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029680369	0	54	0.0	-75.36	414.14	4.07	-71.29
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029680379	0	57	0.0	-75.27	426.54	4.04	-71.23
C[NH+](C)CCCCCC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029680383	0	59	0.0	-77.86	453.17	5.34	-72.52
CC1C[N@@H+]2CCN1C(C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300029680417	0	57	0.0	-86.58	420.36	1.43	-85.15
CCCC(C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029680418	0	56	0.0	-72.58	420.99	4.39	-68.19
C[NH+](C)C(C)(C)C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029680422	0	53	0.0	-80.74	393.77	3.59	-77.15
C[N@@H+]1CCCCC1C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029680460	0	54	0.0	-71.87	408.24	4.03	-67.84
C[N@H+]1CC=C(CC(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029680493	0	55	0.0	-72.08	425.33	4.74	-67.34
C[N@@H+]1CC=C(CC(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029680493	1	55	0.0	-72.08	425.33	4.74	-67.34
CC1(C)CC(CNC(=O)CC2([NH+]3CCCC3)CC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680502	0	58	0.0	-72.87	432.34	5.15	-67.72
CN(C)CC1=CC=C(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029680546	0	54	0.0	-84.18	430.71	4.11	-80.07
C[NH+](C)CC1=CC=C(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029680546	1	54	0.0	-84.18	430.71	4.11	-80.07
CC1(C)CC(CNC(=O)C=CC[NH+]2CCCC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680562	0	55	0.0	-78.65	428.61	4.84	-73.81
CC1(C)CC(CNC(=O)C2CC[NH+](C3CC3)CC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680583	0	58	0.0	-79.10	435.72	5.30	-73.80
CC1(C)CC(CNC(=O)CC[NH+]2CCCC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680604	0	54	0.0	-76.94	413.90	4.10	-72.84
CC1(C)CC(CNC(=O)C2C[NH+]3CCN2CC3)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680638	0	54	0.0	-81.60	403.58	0.89	-80.71
C[N@@H+]1CC2CC1(C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300029680648	0	52	0.0	-55.96	386.28	4.83	-51.13
CC1(C)CC(CNC(=O)C[N@@H+]2CC3CCC2C3)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680660	0	55	0.0	-71.24	410.73	4.34	-66.90
CC1(C)CC(CNC(=O)C[N@H+]2CC3CCC2C3)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680660	1	55	0.0	-71.24	410.73	4.34	-66.90
CC1(C)CC(CNC(=O)C=C2C[NH+]3CCC2CC3)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680701	0	56	0.0	-69.88	422.45	4.82	-65.06
CC1(C)CC(CNC(=O)CN2CC3C=CC2C3)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680711	0	53	0.0	-73.16	406.39	4.36	-68.80
CC1(C)CC(CNC(=O)C[N@@H+]2CC3C=CC2C3)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680711	1	53	0.0	-71.01	405.42	4.30	-66.71
CC1(C)CC(CNC(=O)C[N@H+]2CC3C=CC2C3)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680711	1	53	0.0	-71.01	405.42	4.30	-66.71
CC(C[NH+](C)C)C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029680759	0	53	0.0	-70.54	404.31	3.80	-66.74
C[N@@H+]1CCCCC1CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029680829	0	57	0.0	-79.09	426.11	4.64	-74.45
C[N@H+]1CCCCC1CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029680829	1	57	0.0	-79.09	426.11	4.64	-74.45
CC1=C2C=C(C(=O)NCC3CC(C)(C)CN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=N1	REAL300029680845	0	52	0.0	-80.43	418.66	6.50	-73.93
CC1=C2C=C(C(=O)NCC3CC(C)(C)CN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029680845	1	52	0.0	-80.43	418.66	6.50	-73.93
CC(C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)N1CC(C)C1	REAL300029680846	0	54	0.0	-71.67	415.51	4.11	-67.56
CC(C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300029680846	1	54	0.0	-71.67	415.51	4.11	-67.56
CC1CC[N@@H+]1CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029680849	1	51	0.0	-72.34	391.93	3.22	-69.12
CC1CC[N@H+]1CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029680849	1	51	0.0	-72.31	392.73	3.30	-69.01
C[NH+](C)CC(O)CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029680853	0	54	0.0	-81.44	419.01	1.43	-80.01
CC1C[N@H+](C)CC(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029680880	1	55	0.0	-75.59	418.68	3.44	-72.15
CC1C[N@@H+](C)CC(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029680880	1	55	0.0	-90.52	424.91	3.60	-86.92
CC1(C)CC(CNC(=O)CC[NH+]2CCC(O)CC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680889	0	58	0.0	-79.72	440.95	1.48	-78.24
CCC[N@@H+]1CCCCC1C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029680891	0	60	0.0	-69.87	448.36	5.45	-64.42
CCC[N@H+]1CCCCC1C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029680891	1	60	0.0	-71.88	448.56	5.41	-66.47
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680961	0	54	0.0	-78.20	416.16	4.15	-74.05
CC(CC[NH+](C)C)C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029680969	0	56	0.0	-77.26	426.34	4.31	-72.95
C[N@H+](CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029680989	0	58	0.0	-69.56	436.98	1.83	-67.73
C[N@@H+](CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029680989	1	58	0.0	-73.04	437.35	1.64	-71.40
C#CC[N@H+]1CCCCC1C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029680995	1	56	0.0	-72.64	433.70	5.26	-67.38
C#CC[N@@H+]1CCCCC1C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029680995	1	56	0.0	-72.58	424.19	5.07	-67.51
C[NH+]1CCN(CC(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029680998	1	56	0.0	-76.22	425.35	1.92	-74.30
CC[NH+]1CCN(CC(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029681007	0	59	0.0	-74.38	442.73	2.58	-71.80
CC1(C)CC(CNC(=O)CSC(N)=[NH2+])N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029681031	0	45	0.0	-77.86	374.83	-0.71	-78.57
CC[N@@H+]1CCOCC1CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029681066	0	58	0.0	-76.44	429.51	2.76	-73.68
C[NH+](C)C1CCC(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029681081	0	60	0.0	-74.65	438.74	5.10	-69.55
C[NH+](C)CCC1(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029681082	0	57	0.0	-66.20	431.78	5.96	-60.24
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029681084	0	60	0.0	-67.81	438.60	5.11	-62.70
C[N@@H+]1CC=CCC1CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029681085	0	55	0.0	-66.04	412.49	4.42	-61.62
C[N@H+]1CC=CCC1CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029681085	1	55	0.0	-66.04	412.49	4.42	-61.62
C[C@@H](OCC[NH+](C)C)C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029681106	0	57	0.0	-71.82	441.69	4.16	-67.66
C[NH+]1C2CCC1CC(C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300029681132	0	58	0.0	-73.83	409.26	4.96	-68.87
CC(C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300029681238	1	55	0.0	-74.57	421.57	4.28	-70.29
CCC1C[NH+](CC(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029681240	1	54	0.0	-76.18	419.88	4.27	-71.91
CC1(C)CC(CNC(=O)C2([NH+]3CCCC3)CCC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029681242	0	58	0.0	-76.29	427.11	5.11	-71.18
C[N@H+]1CCC[C@H]1C(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029681251	1	51	0.0	-72.90	386.45	3.01	-69.89
CC1(C)CC(CNC(=O)CC[N@H+]2CCC(F)C2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029681258	1	54	0.0	-82.10	420.56	4.27	-77.83
COC1C[N@@H+](C)C(C)(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029681266	1	58	0.0	-76.29	436.52	2.88	-73.41
CC1(C)CC(CNC(=O)CC[NH+]2CCCCCC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029681274	0	60	0.0	-78.77	440.29	5.05	-73.72
CC1(C)CC(CNC(=O)C[NH+]2CCCCC2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029681276	0	54	0.0	-74.28	408.03	4.29	-69.99
CC1C(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029681286	0	54	0.0	-75.53	412.42	3.97	-71.56
CC1C(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029681286	1	54	0.0	-76.59	405.05	3.62	-72.97
C[N@@H+]1CCCCC1CCC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029681288	0	60	0.0	-75.23	448.14	5.31	-69.92
C[N@H+]1CCCCC1CCC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029681288	1	60	0.0	-74.63	447.49	5.35	-69.28
CC1(C)CC(CNC(=O)C2CC[N@@H+]3CCOCC23)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029681316	0	56	0.0	-71.37	422.11	2.71	-68.66
CC1(C)CC(CNC(=O)C2CC[N@H+]3CCOCC23)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029681316	1	56	0.0	-73.55	422.39	2.71	-70.84
CC1=[NH+]C=C2C=CC(C(=O)NCC3CC(C)(C)CN3C(=O)C3=CC(=O)[N-]O3)=CN21	REAL300029681321	0	52	0.0	-72.99	417.90	5.70	-67.29
CN1CCOCC1CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029681335	0	55	0.0	-68.78	409.30	2.10	-66.68
C[N@@H+]1CCOCC1CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029681335	1	55	0.0	-71.85	410.33	2.09	-69.76
C[N@H+]1CCOCC1CC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029681335	1	55	0.0	-68.78	409.30	2.10	-66.68
CC1=C(C)[NH+]=C(CCC(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)N1	REAL300029681343	1	55	0.0	-70.95	436.55	3.71	-67.24
C[N@H+]1CCCC1C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029681513	1	51	0.0	-70.76	387.65	3.02	-67.74
CC1=[NH+]C=CN1CCCC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029681697	1	55	0.0	-68.72	440.49	5.47	-63.25
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CC[NH+]2CCOCC2)C1	REAL300029681702	1	55	0.0	-75.36	424.89	2.58	-72.78
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300029681727	1	49	0.0	-74.80	391.19	6.31	-68.49
C[NH+](C)C1CCCC(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029681773	0	60	0.0	-64.36	437.40	4.88	-59.48
C[N@@H+]1CCC(CC(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029681776	0	54	0.0	-73.54	416.11	4.09	-69.45
C[N@H+]1CCC(CC(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029681776	1	54	0.0	-73.01	415.65	4.15	-68.86
CCC(C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029681791	0	53	0.0	-61.58	394.04	4.36	-57.22
C[NH+](C)CCCCC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029681847	0	56	0.0	-74.17	434.88	4.71	-69.46
CCC[N@H+](C)CCC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029681867	0	56	0.0	-73.19	431.43	4.51	-68.68
CCC[N@@H+](C)CCC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029681867	1	56	0.0	-73.62	431.23	4.54	-69.08
CCC[N@H+](C)CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029681871	0	53	0.0	-70.56	408.60	3.94	-66.62
CCC[N@@H+](C)CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029681871	1	53	0.0	-70.52	408.75	3.93	-66.59
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300029681889	0	55	0.0	-73.60	403.05	3.37	-70.23
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300029681889	1	55	0.0	-73.52	402.30	3.37	-70.15
CCCCCC[N@H+](C)CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029681914	0	62	0.0	-71.76	473.24	6.27	-65.49
CCCCCC[N@@H+](C)CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029681914	1	62	0.0	-71.93	473.09	6.27	-65.66
CC1CC[NH+](CC(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029681947	0	57	0.0	-71.02	432.21	5.02	-66.00
C[NH+]1CCC(OCC(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029681968	0	58	0.0	-78.33	449.47	4.63	-73.70
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300029682003	0	58	0.0	-69.81	433.15	5.06	-64.75
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300029682003	1	58	0.0	-73.96	434.30	5.08	-68.88
C[NH+](C)CC1(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029682013	0	54	0.0	-69.39	414.07	4.91	-64.48
CC(C)[NH+]1CCC(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029682023	0	60	0.0	-70.43	441.69	6.08	-64.35
CC[N@H+](C)CCC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029682042	0	53	0.0	-72.78	409.73	3.78	-69.00
CC[N@@H+](C)CCC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029682042	1	53	0.0	-72.82	409.74	3.79	-69.03
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300029682070	0	55	0.0	-75.83	408.61	4.16	-71.67
C[NH+]1CCC(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029682134	0	54	0.0	-76.61	409.36	3.90	-72.71
CC[NH+](CC)CC(F)C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029682216	0	56	0.0	-72.33	426.99	4.21	-68.12
CC(C)C[N@@H+]1CCC(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029682240	0	60	0.0	-70.93	452.38	5.42	-65.51
CC(C)C[N@H+]1CCC(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029682240	1	60	0.0	-71.47	449.41	5.36	-66.11
CCC(C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300029682265	0	59	0.0	-64.54	428.87	4.38	-60.16
CC1CCC[N@@H+]1CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029682281	0	54	0.0	-66.22	408.70	3.89	-62.33
CC1CCC[N@H+]1CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029682281	1	54	0.0	-67.64	414.03	4.28	-63.36
CC(C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300029682329	0	60	0.0	-66.47	436.93	4.95	-61.52
CC(C)[N@@H+]1CCCC1C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029682348	0	57	0.0	-64.15	410.57	5.38	-58.77
CC(C)[N@H+]1CCCC1C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029682348	1	57	0.0	-62.30	408.08	5.41	-56.89
CC(C)[N@@H+]1CCCC1CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029682353	0	60	0.0	-65.40	445.76	5.99	-59.41
CC(C)[N@H+]1CCCC1CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029682353	1	60	0.0	-64.88	440.07	4.63	-60.25
CC1CC[N@H+](CC(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029682380	0	54	0.0	-69.07	415.88	4.19	-64.88
CC1CC[N@@H+](CC(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029682380	1	54	0.0	-69.46	415.29	4.26	-65.20
CC1(C)CC[N@@H+](CC(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029682383	0	57	0.0	-69.47	435.10	4.74	-64.73
CC1(C)CC[N@H+](CC(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029682383	1	57	0.0	-69.63	434.47	4.80	-64.83
C[N@H+](CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029682384	0	59	0.0	-70.51	436.81	4.92	-65.59
C[N@@H+](CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029682384	1	59	0.0	-70.36	439.86	5.11	-65.25
CC[C@@H](C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029682391	0	53	0.0	-67.18	395.67	3.41	-63.77
CC1=[NH+]C=CN1CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029682566	1	49	0.0	-65.71	399.26	4.11	-61.60
CC(C[NH+]1CCOCC1)C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029682567	1	58	0.0	-67.20	433.78	3.88	-63.32
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CCC[NH+]2CCCCC2)C1	REAL300029682580	0	60	0.0	-72.10	454.89	5.73	-66.37
C[NH+](C)CC1=CC(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)=NO1	REAL300029682590	1	53	0.0	-77.84	425.32	3.68	-74.16
CC1=C(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300029682591	0	52	0.0	-74.41	417.23	7.04	-67.37
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029682623	1	55	0.0	-65.52	435.12	5.27	-60.25
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300029682651	0	58	0.0	-63.53	429.42	5.05	-58.48
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300029682651	1	58	0.0	-66.82	422.45	4.66	-62.16
CC[N@@H+]1CCOC(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029682665	1	55	0.0	-71.05	413.72	3.23	-67.82
CC[N@H+]1CCOC(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029682665	1	55	0.0	-80.72	416.10	4.18	-76.54
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300029682703	0	49	0.0	-67.47	390.96	6.28	-61.19
CC1=C[NH+]=CN1CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029682708	1	49	0.0	-69.75	399.13	4.87	-64.88
C[C@@H]1[C@H](C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029682720	0	54	0.0	-72.40	405.51	3.80	-68.60
C[C@@H]1[C@H](C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029682720	1	54	0.0	-75.27	411.69	3.74	-71.53
CC[C@@H]1[C@@H](C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029682723	0	57	0.0	-72.82	422.60	4.02	-68.80
CC[C@@H]1[C@@H](C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029682723	1	57	0.0	-73.04	431.02	4.63	-68.41
CC1CCC(C)[NH+]1CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029682731	0	57	0.0	-66.07	426.44	4.42	-61.65
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CCC[NH+]2CCCC2)C1	REAL300029682737	0	57	0.0	-71.61	438.94	5.00	-66.61
C#CC[NH+]1CCC(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029682742	0	56	0.0	-77.10	434.04	5.05	-72.05
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CC[NH+]2CCCCC2)C1	REAL300029682743	0	57	0.0	-71.98	433.62	5.00	-66.98
C[NH+](C)C1(CC(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029682778	0	60	0.0	-75.83	433.16	4.97	-70.86
C[N@H+](CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029682893	0	54	0.0	-67.90	415.61	4.50	-63.40
C[N@@H+](CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029682893	1	54	0.0	-68.50	415.75	4.50	-64.00
CC(C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300029682910	0	60	0.0	-66.05	426.14	4.24	-61.81
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CCCC[NH+]2CCCC2)C1	REAL300029682922	0	60	0.0	-72.55	461.16	5.86	-66.69
C[NH+]1CCC(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029682933	0	54	0.0	-76.61	409.36	3.90	-72.71
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029682964	0	51	0.0	-70.86	388.09	2.97	-67.89
C[N@H+]1CCC[C@@H]1C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029682964	1	51	0.0	-67.52	391.69	3.38	-64.14
C[N@@H+]1CCCC1CCC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029682989	0	57	0.0	-75.94	437.22	5.01	-70.93
C[N@H+]1CCCC1CCC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029682989	1	57	0.0	-70.76	431.29	4.53	-66.23
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300029682998	0	58	0.0	-65.14	433.90	5.34	-59.80
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300029682998	1	58	0.0	-67.35	430.17	4.96	-62.39
CCC[N@@H+]1CCCC(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029683054	0	60	0.0	-55.53	439.19	6.36	-49.17
CCC[N@H+]1CCCC(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029683054	1	60	0.0	-57.39	439.47	6.44	-50.95
CC(C)[N@@H+]1CCOC(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029683065	1	58	0.0	-78.71	437.48	3.91	-74.80
CC(C)[N@H+]1CCOC(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029683065	1	58	0.0	-78.04	433.09	4.71	-73.33
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300029683114	0	58	0.0	-71.84	443.05	1.70	-70.14
CC1C(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029683154	0	54	0.0	-74.35	403.59	3.91	-70.44
CC1C(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029683154	1	54	0.0	-76.50	405.28	3.48	-73.02
C[N@@H+]1CCCCC1CCC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029683156	0	60	0.0	-74.61	443.78	5.27	-69.34
C[N@H+]1CCCCC1CCC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029683156	1	60	0.0	-76.35	443.49	5.29	-71.06
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC3=C(CCC3)[NH+]=C2N)C1	REAL300029683182	1	54	0.0	-59.61	417.50	4.11	-55.50
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029683226	0	57	0.0	-67.68	430.34	4.22	-63.46
CC(C)(C)[N@H+]1CCC1C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029683226	1	57	0.0	-66.50	410.62	3.97	-62.53
C[C@@H](C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029683243	0	50	0.0	-68.65	386.64	2.92	-65.73
C=CCC(C)(C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029683260	0	57	0.0	-56.97	411.50	4.89	-52.08
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CC[NH+]2CCCC2)C1	REAL300029683282	0	54	0.0	-72.22	417.95	4.30	-67.92
C[N@H+](CCO)CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029683291	1	51	0.0	-71.62	397.45	-0.05	-71.67
C[N@@H+](CCO)CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029683291	1	51	0.0	-70.80	397.38	-0.04	-70.84
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300029683324	0	57	0.0	-80.69	414.10	2.04	-78.65
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300029683324	1	57	0.0	-81.03	412.43	1.91	-79.12
CC(C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300029683342	1	55	0.0	-70.93	425.32	4.42	-66.51
C[N@H+]1CC=C(CC(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029683370	0	55	0.0	-68.93	428.97	4.88	-64.05
C[N@@H+]1CC=C(CC(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029683370	1	55	0.0	-66.72	429.17	4.89	-61.83
C[S+](C)CCC(O)C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029683382	0	53	0.0	-77.44	430.61	1.92	-75.52
CN1CC[N@H+](C)CC(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029683407	0	59	0.0	-61.82	432.92	3.26	-58.56
CN1CC[N@@H+](C)CC(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029683407	1	59	0.0	-68.60	437.14	2.01	-66.59
CC(C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300029683408	0	58	0.0	-63.23	432.38	2.29	-60.94
CC(C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1)[N@H+]1CCCC(O)C1	REAL300029683408	1	58	0.0	-62.88	432.13	2.31	-60.57
C[N@@H+]1CCCC(O)(CC(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029683439	0	58	0.0	-64.28	430.90	2.68	-61.60
C[N@H+]1CCCC(O)(CC(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029683439	1	58	0.0	-71.33	427.35	2.81	-68.52
CC1C[NH+](CC(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029683443	1	51	0.0	-71.47	399.63	3.71	-67.76
CC[N@@H+]1CCCC(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029683448	0	57	0.0	-70.47	427.18	4.52	-65.95
CC[N@H+]1CCCC(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029683448	1	57	0.0	-62.43	424.74	5.35	-57.08
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CC2=CC=C[NH+]=C2N)C1	REAL300029683454	0	50	0.0	-65.45	403.62	2.36	-63.09
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300029683464	0	55	0.0	-71.28	416.18	4.26	-67.02
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300029683464	1	55	0.0	-64.80	421.75	4.77	-60.03
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C=CC[NH+]2CCCC2)C1	REAL300029683502	0	55	0.0	-74.99	429.72	4.78	-70.21
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300029683521	0	58	0.0	-68.49	431.83	5.96	-62.53
CC[N@H+](C)CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029683553	0	50	0.0	-70.26	387.24	3.19	-67.07
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CN2CC3C=CC2C3)C1	REAL300029683597	0	53	0.0	-68.60	408.99	4.52	-64.08
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300029683597	1	53	0.0	-66.18	408.34	4.39	-61.79
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300029683597	1	53	0.0	-66.18	408.34	4.39	-61.79
CC(OCC[NH+](C)C)C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029683714	0	57	0.0	-57.60	436.59	4.84	-52.76
C[NH+](C)CCOCCC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029683723	0	57	0.0	-71.31	446.56	3.36	-67.95
COCCN(C)CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029683725	0	54	0.0	-70.55	419.51	2.34	-68.21
COCC[N@H+](C)CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029683725	1	54	0.0	-71.94	419.85	2.35	-69.59
COCC[N@@H+](C)CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029683725	1	54	0.0	-71.94	419.85	2.35	-69.59
CC(CCC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029683730	0	56	0.0	-71.01	426.87	4.30	-66.71
CC[N@H+](CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029683752	0	54	0.0	-67.77	415.34	4.55	-63.22
CC1C[N@@H+]2CCN1C(C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029683762	0	57	0.0	-78.19	418.77	1.27	-76.92
CC1=NC(N)=CC=C1C=CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029683788	0	54	0.0	-71.60	433.42	3.19	-68.41
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029683788	1	54	0.0	-71.60	433.42	3.19	-68.41
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300029683794	0	55	0.0	-68.20	416.30	4.60	-63.60
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300029683794	1	55	0.0	-68.20	416.30	4.60	-63.60
CC(C[NH+](C)C)C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029683811	0	53	0.0	-66.65	400.88	4.42	-62.23
CC[N@@H+]1CCC1C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029683851	1	51	0.0	-70.33	400.93	3.47	-66.86
CC[N@H+]1CCC1C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029683851	1	51	0.0	-67.27	393.35	3.17	-64.10
CC(C)[N@@H+]1CCCC(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029683861	0	60	0.0	-62.57	441.32	5.91	-56.66
CC(C)[N@H+]1CCCC(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029683861	1	60	0.0	-57.49	434.26	6.22	-51.27
CCC(C)(C)[NH2+]C(C)C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029683872	0	59	0.0	-64.60	430.25	3.98	-60.62
C#CC[N@H+]1CCCCC1C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029683910	1	56	0.0	-61.39	430.95	6.12	-55.27
C#CC[N@@H+]1CCCCC1C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029683910	1	56	0.0	-68.29	423.84	4.80	-63.49
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029683911	1	53	0.0	-61.60	413.66	3.98	-57.62
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=C[NH+]=CC=C2N)C1	REAL300029683912	0	47	0.0	-69.41	372.20	1.33	-68.08
CCCC(C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029683921	0	56	0.0	-68.97	421.38	4.30	-64.67
CC(CC[NH+](C)C)C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029683942	0	56	0.0	-65.71	422.50	5.03	-60.68
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029684032	0	57	0.0	-61.93	423.79	5.04	-56.89
C[N@H+]1CC(C)(C)CC1C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029684032	1	57	0.0	-69.91	428.41	4.07	-65.84
C[NH+](C)CCCCCC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029684037	0	59	0.0	-73.32	456.38	5.49	-67.83
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CC[NH+]2CCC(O)CC2)C1	REAL300029684041	0	58	0.0	-74.86	444.49	1.57	-73.29
CCC[N@@H+]1CCCCC1C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029684044	0	60	0.0	-66.99	449.16	5.45	-61.54
CCC[N@H+]1CCCCC1C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029684044	1	60	0.0	-66.61	449.97	5.49	-61.12
C[NH+]1CCN(CC(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029684052	1	56	0.0	-71.30	428.54	2.01	-69.29
CC1C[N@H+](C)CC(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300029684136	1	55	0.0	-84.14	412.52	3.73	-80.41
CC1C[N@@H+](C)CC(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300029684136	1	55	0.0	-85.12	412.26	3.86	-81.26
CCC1CCC[N@H+](CC(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029684166	0	60	0.0	-71.17	443.42	5.60	-65.57
CCC1CCC[N@@H+](CC(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029684166	1	60	0.0	-67.48	443.34	5.16	-62.32
C[NH+](C)CC1=CC=C(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)N1	REAL300029684174	0	55	0.0	-83.98	426.97	4.87	-79.11
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C[NH+]2CC3CC3C2)C1	REAL300029684188	0	52	0.0	-70.67	404.70	4.40	-66.27
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CC2([NH+]3CCCC3)CC2)C1	REAL300029684201	0	58	0.0	-68.18	434.55	5.31	-62.87
C[N@@H+]1CCCCC1C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029684232	0	54	0.0	-64.92	397.34	4.65	-60.27
C[N@H+]1CCCCC1C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029684232	1	54	0.0	-68.91	397.99	3.58	-65.33
C[N@@H+]1CCC(=CC(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029684324	0	52	0.0	-74.66	407.24	4.06	-70.60
C[N@H+]1CCC(=CC(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029684324	1	52	0.0	-75.02	407.22	4.07	-70.95
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300029684329	0	50	0.0	-71.78	405.24	1.80	-69.98
CC[NH+]1CCN(CC(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029684375	0	59	0.0	-70.08	446.28	2.69	-67.39
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C=C2C[NH+]3CCC2CC3)C1	REAL300029684376	0	56	0.0	-65.59	424.81	4.94	-60.65
C[N@H+](CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029684413	0	58	0.0	-66.54	440.91	1.74	-64.80
C[N@@H+](CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029684413	1	58	0.0	-68.05	440.29	1.93	-66.12
C[N@@H+]1CCC[C@H]1C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029684429	0	51	0.0	-66.68	393.67	3.34	-63.34
C[N@H+]1CCC[C@H]1C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029684429	1	51	0.0	-70.64	387.78	3.01	-67.63
CCN1CCOCC1CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029684454	0	58	0.0	-75.94	438.08	3.04	-72.90
CC[N@@H+]1CCOCC1CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029684454	1	58	0.0	-69.68	432.78	3.77	-65.91
CC[N@H+]1CCOCC1CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029684454	1	58	0.0	-69.68	432.78	3.77	-65.91
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=C3NC(N)=NC3=C2)C1	REAL300029684521	0	51	0.0	-69.33	404.64	4.20	-65.13
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=C3NC(N)=[NH+]C3=C2)C1	REAL300029684521	1	51	0.0	-69.33	404.64	4.20	-65.13
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029684550	0	54	0.0	-70.78	419.00	4.23	-66.55
C[NH+](C)C1CCC(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029684563	0	60	0.0	-77.56	443.65	5.04	-72.52
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029684565	0	60	0.0	-63.11	438.28	4.92	-58.19
C[N@@H+]1CC=CCC1CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029684566	0	55	0.0	-75.55	421.46	4.60	-70.95
C[N@H+]1CC=CCC1CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029684566	1	55	0.0	-75.55	421.46	4.60	-70.95
CC1=CC(C=CC(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)=CN=C1N	REAL300029684611	0	54	0.0	-75.44	433.62	3.48	-71.96
CC1=CC(C=CC(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C[NH+]=C1N	REAL300029684611	1	54	0.0	-75.44	433.62	3.48	-71.96
C[NH+](C)CCOCC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029684622	0	54	0.0	-69.77	425.67	3.58	-66.19
CCCCC[N@H+](C)CCC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029684628	0	62	0.0	-74.22	474.43	6.08	-68.14
CCCCC[N@@H+](C)CCC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029684628	1	62	0.0	-74.22	474.43	6.08	-68.14
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300029684638	0	58	0.0	-72.60	442.51	4.53	-68.07
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CN2C=CSC2=[NH2+])C1	REAL300029684655	0	47	0.0	-65.58	396.44	2.70	-62.88
C[C@@H](OCC[NH+](C)C)C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029684713	0	57	0.0	-57.35	436.74	4.87	-52.48
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CC[NH+]2CCCCCC2)C1	REAL300029684743	0	60	0.0	-74.06	443.64	5.19	-68.87
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C[NH+]2CCCCC2)C1	REAL300029684747	0	54	0.0	-70.30	411.09	4.39	-65.91
C[N@@H+]1CCCC(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029684749	0	54	0.0	-62.72	404.42	4.06	-58.66
C[N@H+]1CCCC(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029684749	1	54	0.0	-63.31	403.29	4.02	-59.29
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300029684750	0	58	0.0	-71.84	443.05	1.70	-70.14
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C[NH+]2CCCCCC2)C1	REAL300029684751	0	57	0.0	-69.42	420.33	4.56	-64.86
CN1C=C[N+](CC(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029684756	0	49	0.0	-66.71	401.07	6.02	-60.69
C[NH+](C)CC1=CC=C(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300029684769	1	54	0.0	-81.39	429.60	4.27	-77.12
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300029684782	1	55	0.0	-75.08	422.98	1.04	-74.04
C[N@@H+](CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029684787	1	51	0.0	-67.79	399.02	3.94	-63.85
CC(C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300029684789	1	59	0.0	-70.49	437.99	2.16	-68.33
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CC[N@H+]2CCC(F)C2)C1	REAL300029684791	1	54	0.0	-77.11	423.97	4.36	-72.75
CC(CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029684815	0	56	0.0	-76.86	426.12	4.55	-72.31
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300029684830	0	56	0.0	-67.63	422.15	2.75	-64.88
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2CC[N@H+]3CCOCC23)C1	REAL300029684830	1	56	0.0	-77.29	424.61	2.65	-74.64
CC1=[NH+]C=C2C=CC(C(=O)N3CC(C)(C)CC3CNC(=O)C3=CC(=O)[N-]O3)=CN21	REAL300029684835	0	52	0.0	-64.83	412.36	6.05	-58.78
C[N@@H+]1CCOCC1CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029684849	1	55	0.0	-78.50	420.83	2.39	-76.11
C[N@H+]1CCOCC1CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029684849	1	55	0.0	-64.98	412.63	2.21	-62.77
CC[NH+]1CCN(CC(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029684855	0	59	0.0	-70.08	446.28	2.69	-67.39
CC1=CC(N)=[NH+]C=C1C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029684895	1	50	0.0	-70.43	393.37	2.61	-67.82
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CCC2=CC=C(N)[NH+]=C2)C1	REAL300029684898	0	53	0.0	-71.27	428.85	3.05	-68.22
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C[N@@H+]2CCC(C)(O)C2)C1	REAL300029684930	0	55	0.0	-68.38	425.70	0.90	-67.48
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C[N@H+]2CCC(C)(O)C2)C1	REAL300029684930	1	55	0.0	-70.68	425.76	0.93	-69.75
C[NH+]1CC(CC(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029684962	0	51	0.0	-71.12	401.28	3.36	-67.76
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300029684967	0	58	0.0	-66.46	432.04	5.74	-60.72
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300029684967	1	58	0.0	-71.79	439.45	5.24	-66.55
C[NH+](C)CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029684975	0	47	0.0	-70.50	369.85	2.50	-68.00
C[N@H+](CCO)CCC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029685001	0	54	0.0	-72.47	420.28	0.56	-71.91
C[N@@H+](CCO)CCC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029685001	1	54	0.0	-71.77	419.94	0.58	-71.19
C[C@@H](C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029685002	0	50	0.0	-68.65	386.64	2.92	-65.73
C[N@@H+]1CCCCC1CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029685018	0	57	0.0	-61.29	421.64	4.61	-56.68
C[N@H+]1CCCCC1CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029685018	1	57	0.0	-64.12	421.24	4.60	-59.52
CC1=C2C=C(C(=O)N3CC(C)(C)CC3CNC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029685035	1	52	0.0	-74.40	415.69	6.95	-67.45
CC(C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300029685036	0	54	0.0	-68.34	413.97	3.97	-64.37
CC1CC[N@@H+]1CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029685039	1	51	0.0	-67.73	395.82	3.36	-64.37
CC1CC[N@H+]1CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029685039	1	51	0.0	-69.14	400.92	3.62	-65.52
C[NH+](C)CC=CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029685049	0	51	0.0	-76.36	404.31	3.73	-72.63
CC1(C)C[NH+](CC(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029685061	1	54	0.0	-70.31	420.42	4.13	-66.18
CC1=C(C)[NH+]=C(CCC(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)N1	REAL300029685078	1	55	0.0	-66.52	439.87	3.86	-62.66
CC1=C2C=C(C(=O)N3CC(C)(C)CC3CNC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029685088	1	52	0.0	-74.40	415.69	6.95	-67.45
C[NH+](C)CCSCC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029685096	0	54	0.0	-77.57	436.74	4.49	-73.08
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C[N@@H+]2CCCC2CO)C1	REAL300029685119	0	55	0.0	-70.08	422.53	1.08	-69.00
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C[N@H+]2CCCC2CO)C1	REAL300029685119	1	55	0.0	-68.86	424.93	1.11	-67.75
CC[NH+](CC)CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029685123	0	53	0.0	-68.92	400.18	3.57	-65.35
C[N@H+](CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029685133	0	55	0.0	-75.03	429.01	4.76	-70.27
C[N@@H+](CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029685133	1	55	0.0	-74.35	428.91	4.80	-69.55
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C[NH+]2CCC2)C1	REAL300029685135	1	48	0.0	-70.91	379.82	3.00	-67.91
CC[NH+](CC)CCC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029685171	0	56	0.0	-71.95	427.17	4.49	-67.46
C[NH+](C)CC1=CNC(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029685222	0	55	0.0	-71.22	426.81	4.70	-66.52
CC(C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300029685235	0	58	0.0	-66.37	427.24	1.94	-64.43
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300029685240	0	56	0.0	-73.56	425.33	2.70	-70.86
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2CC3COCC[N@H+]3C2)C1	REAL300029685240	1	56	0.0	-69.95	425.17	2.75	-67.20
CC(C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300029685252	1	51	0.0	-67.70	393.81	3.26	-64.44
CCC(CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029685258	0	59	0.0	-79.29	444.28	5.15	-74.14
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C=CC2=CC=C(N)[NH+]=C2)C1	REAL300029685263	0	51	0.0	-76.38	415.80	2.73	-73.65
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029685310	0	54	0.0	-68.64	398.71	3.63	-65.01
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029685310	1	54	0.0	-67.19	410.62	4.12	-63.07
CC1CN2CC[N@@H+]1CC2C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029685322	0	57	0.0	-75.57	419.79	1.23	-74.34
CC1CN2CC[N@H+]1CC2C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029685322	1	57	0.0	-77.62	418.63	1.10	-76.52
C[NH+](C)CC(O)CC(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029685342	0	54	0.0	-76.61	422.30	1.52	-75.09
C[NH+]1C2CCC1CC(C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029685345	0	58	0.0	-67.30	386.30	5.18	-62.12
C=CCC(C(=O)N1CC(C)(C)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029685377	0	54	0.0	-68.98	413.54	4.03	-64.95
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300029685384	0	58	0.0	-69.81	433.15	5.06	-64.75
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300029685384	1	58	0.0	-73.96	434.30	5.08	-68.88
C[NH+]1CCC(O)(CC(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029685393	0	58	0.0	-72.68	440.06	2.86	-69.82
CC1=C2C=C(C(=O)NCC3CC(C)(C)CN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029685466	1	52	0.0	-80.43	418.66	6.50	-73.93
C[NH+](C)CCSCC(=O)NCC1CC(C)(C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029685475	0	54	0.0	-81.85	433.20	4.36	-77.49
CC1(C)CC(CNC(=O)C2CC3COCC[N@@H+]3C2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029685483	0	56	0.0	-75.58	425.67	2.79	-72.79
CC1(C)CC(CNC(=O)C2CC3COCC[N@H+]3C2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029685483	1	56	0.0	-75.40	425.66	2.76	-72.64
C[N@@H+]1CCCC1C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029685641	0	46	0.0	-66.60	363.63	3.20	-63.40
C[N@H+]1CCCC1C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029685641	1	46	0.0	-66.98	363.93	3.34	-63.64
C[N@@H+]1CCOC(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029685665	1	47	0.0	-59.43	375.28	2.52	-56.91
C[N@H+]1CCOC(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029685665	1	47	0.0	-72.40	368.50	2.52	-69.88
CC(C)C1=[NH+]C=CN1CCC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029685855	1	53	0.0	-64.97	423.21	5.38	-59.59
CC(C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCCC1	REAL300029685862	0	55	0.0	-66.63	406.10	5.15	-61.48
CC(C)[N@@H+]1CCCCC1C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029685865	0	55	0.0	-63.94	410.76	4.78	-59.16
CC(C)[N@H+]1CCCCC1C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029685865	1	55	0.0	-64.48	404.83	4.83	-59.65
CC(C)[N@@H+]1CCCC1C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029685900	0	52	0.0	-65.11	396.82	4.35	-60.76
CC(C)[N@H+]1CCCC1C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029685900	1	52	0.0	-65.14	396.59	4.38	-60.76
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@@H+]2C1	REAL300029685927	0	53	0.0	-68.15	406.04	4.78	-63.37
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@H+]2C1	REAL300029685927	1	53	0.0	-69.30	405.30	4.99	-64.31
CC(C)C1=[NH+]C=CN1CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029685963	1	50	0.0	-67.60	402.32	5.03	-62.57
CC1=[NH+]C=CN1CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029686019	1	44	0.0	-68.99	366.10	3.92	-65.07
CC(C[NH+]1CCOCC1)C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029686021	0	53	0.0	-73.93	407.98	3.03	-70.90
O=C(CCC[NH+]1CCCCC1)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029686043	0	55	0.0	-70.98	422.85	5.44	-65.54
CC(C)(C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCC1	REAL300029686072	0	55	0.0	-69.35	406.02	5.29	-64.06
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1C[NH+]2CCC1CC2	REAL300029686091	0	50	0.0	-73.22	379.06	4.05	-69.17
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCC2CCC[N@@H+]21	REAL300029686154	0	53	0.0	-64.07	402.48	4.90	-59.17
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCC2CCC[N@H+]21	REAL300029686154	1	53	0.0	-68.03	393.57	4.86	-63.17
C[NH+](C)CCN1C=C(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C=N1	REAL300029686156	0	52	0.0	-80.56	422.10	3.60	-76.96
C[NH+](C)CCN1C=CC(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300029686172	0	52	0.0	-82.81	422.65	3.56	-79.25
C[C@@H]1[C@H](C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029686179	0	49	0.0	-70.59	375.49	3.27	-67.32
C[C@@H]1[C@H](C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029686179	1	49	0.0	-58.05	381.02	3.29	-54.76
CCC1=[NH+]C=CN1C(C)CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029686182	1	53	0.0	-65.11	423.76	5.44	-59.67
CC[C@@H]1[C@@H](C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029686185	0	52	0.0	-61.95	395.85	3.61	-58.34
CC[C@@H]1[C@@H](C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029686185	1	52	0.0	-68.18	398.99	4.28	-63.90
CC[N@@H+]1CCOC(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029686211	1	50	0.0	-57.74	393.08	3.15	-54.59
CC[N@H+]1CCOC(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029686211	1	50	0.0	-75.33	393.43	3.33	-72.00
CC[NH+](CC)CC(F)C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029686280	0	51	0.0	-70.86	401.12	4.25	-66.61
C[NH+](C)CC1=C(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)SC=C1	REAL300029686281	0	49	0.0	-66.10	401.77	4.94	-61.16
CC1CCC(C)[NH+]1CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029686397	0	52	0.0	-68.90	393.81	4.32	-64.58
O=C(CCC[NH+]1CCCC1)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029686404	0	52	0.0	-70.85	407.63	4.77	-66.08
C[NH+](C)CC1=CC=CC(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029686405	0	52	0.0	-74.45	414.83	5.79	-68.66
C#CC[NH+]1CCC(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029686412	0	51	0.0	-75.82	405.93	5.12	-70.70
O=C(CC[NH+]1CCCCC1)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029686413	0	52	0.0	-70.76	401.35	4.64	-66.12
C[NH+](C)CC1=CC=CC=C1C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029686417	0	52	0.0	-64.68	408.68	5.95	-58.73
CC[N@@H+]1CCCCC1C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029686427	0	52	0.0	-67.37	397.37	4.29	-63.08
CC[N@H+]1CCCCC1C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029686427	1	52	0.0	-55.02	388.24	4.14	-50.88
CC(C)C(C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCC1	REAL300029686428	0	58	0.0	-66.08	427.10	6.34	-59.74
C[NH+](C)C(C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300029686431	1	52	0.0	-69.58	411.39	5.80	-63.78
CC(C)C[N@@H+]1CCC(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029686457	0	55	0.0	-58.06	423.22	5.02	-53.04
CC(C)C[N@H+]1CCC(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029686457	1	55	0.0	-70.86	423.73	5.02	-65.84
C[NH+](C)C1(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CCC1	REAL300029686461	0	49	0.0	-70.30	368.65	3.77	-66.53
C[NH+](C)C(CN1C=CC=N1)C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029686463	1	52	0.0	-65.23	406.97	3.83	-61.40
CC(C)[N@@H+]1CCCC1CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029686469	0	55	0.0	-65.27	407.15	4.60	-60.67
CC(C)[N@H+]1CCCC1CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029686469	1	55	0.0	-67.86	417.25	4.87	-62.99
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@@H+]1C1CCCC1	REAL300029686470	0	56	0.0	-54.74	413.90	5.40	-49.34
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@H+]1C1CCCC1	REAL300029686470	1	56	0.0	-67.31	423.85	5.45	-61.86
CC(C)[C@@H](C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029686497	0	51	0.0	-68.23	385.18	4.48	-63.75
C[N@H+](CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300029686563	0	49	0.0	-70.30	382.77	4.29	-66.01
C[N@@H+](CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300029686563	1	49	0.0	-70.75	382.91	4.30	-66.45
CC(C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1C(C)CCC1C	REAL300029686658	0	55	0.0	-66.48	407.36	4.65	-61.83
CN(CCC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=[NH+]C=C1	REAL300029686740	0	51	0.0	-67.81	412.54	3.91	-63.90
C#CC[N@H+]1CCC[C@H]1C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029686753	1	48	0.0	-56.97	384.97	3.68	-53.29
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029686753	1	48	0.0	-68.64	389.98	4.35	-64.29
C[N@@H+]1CCCC1CCC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029686763	0	52	0.0	-72.42	405.27	4.56	-67.86
C[N@H+]1CCCC1CCC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029686763	1	52	0.0	-70.04	399.73	4.26	-65.78
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[NH+](CCC1)C2	REAL300029686777	0	53	0.0	-71.07	395.19	4.44	-66.63
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC2CCCC[N@@H+]21	REAL300029686785	0	53	0.0	-66.62	404.79	5.23	-61.39
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC2CCCC[N@H+]21	REAL300029686785	1	53	0.0	-64.69	405.78	5.00	-59.69
CC(C)(C[NH+]1CCOCC1)C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029686794	0	56	0.0	-69.67	417.48	3.39	-66.28
O=C(CCCC[NH+]1CCCC1)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029686814	0	55	0.0	-71.12	429.13	5.55	-65.57
C[N@H+](CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300029686817	1	52	0.0	-76.57	413.33	5.90	-70.67
C[N@@H+](CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300029686817	1	52	0.0	-74.23	414.46	5.83	-68.40
C[NH+]1CCC(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029686835	0	49	0.0	-74.60	381.25	3.97	-70.63
C[NH+](C)CC1=CC(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=NO1	REAL300029686902	1	48	0.0	-78.95	395.90	3.20	-75.75
CC1=C(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C=CC2=C[NH+]=CN21	REAL300029686904	0	47	0.0	-72.68	381.95	6.10	-66.58
C[N@@H+]1CCCCC1C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029686953	0	49	0.0	-67.78	370.52	3.69	-64.09
C[N@H+]1CCCCC1C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029686953	1	49	0.0	-70.15	370.59	3.49	-66.66
CC(C)C[N@@H+]1CCCC1C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029686987	0	55	0.0	-53.97	417.14	4.70	-49.27
CC(C)C[N@H+]1CCCC1C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029686987	1	55	0.0	-66.28	422.61	5.44	-60.84
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN2C=[NH+]C=C2C=C1	REAL300029687153	0	44	0.0	-71.15	367.96	5.73	-65.42
CC1=[NH+]C=CN1CCCC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029687168	1	50	0.0	-69.43	407.64	5.22	-64.21
O=C(CCCC[NH+]1CCOCC1)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029687172	1	56	0.0	-74.39	436.07	3.84	-70.55
C[NH+](C)CC1=CC=C(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C=C1	REAL300029687178	0	52	0.0	-76.40	415.93	5.73	-70.67
O=C(CC[NH+]1CCOCC1)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029687179	1	50	0.0	-73.99	393.07	2.24	-71.75
C[NH+](C)C(C)(C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300029687199	0	55	0.0	-74.59	410.48	6.02	-68.57
CCC[NH+](CCC)CCCC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029687207	0	60	0.0	-71.25	460.36	6.44	-64.81
CC[N@H+](C)C(C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300029687208	0	55	0.0	-66.56	431.23	6.36	-60.20
CC[N@@H+](C)C(C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300029687208	1	55	0.0	-69.85	424.23	6.28	-63.57
CC1=C[NH+]=CN1CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029687231	1	44	0.0	-72.05	366.44	4.65	-67.40
O=C(CN1C=[NH+]C2=C1CCCC2)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029687244	1	51	0.0	-68.82	409.38	6.31	-62.51
C[NH+](C)CC1(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CCCCC1	REAL300029687292	0	58	0.0	-72.40	422.28	5.90	-66.50
C[NH+](C)CCC1=CC=CC=C1C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029687293	0	55	0.0	-67.50	427.44	6.48	-61.02
C[N@H+](CCC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCCC1	REAL300029687299	0	58	0.0	-73.96	435.08	5.89	-68.07
C[N@@H+](CCC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCCC1	REAL300029687299	1	58	0.0	-73.83	435.09	5.90	-67.93
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[NH+]1CCC2	REAL300029687304	0	50	0.0	-67.65	382.46	4.22	-63.43
C[NH+](C)C1CCCC(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029687344	0	55	0.0	-67.91	408.96	4.97	-62.94
C[N@@H+]1CCC(CC(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029687351	0	49	0.0	-62.59	384.92	3.65	-58.94
C[N@H+]1CCC(CC(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029687351	1	49	0.0	-62.42	384.46	3.63	-58.79
CN(C)C1=CC=[NH+]C=C1C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029687365	0	48	0.0	-73.85	388.52	3.05	-70.80
CCC(C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029687371	0	48	0.0	-67.83	368.04	3.26	-64.57
C[NH+](C)C1(CC(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300029687395	0	55	0.0	-65.42	406.02	4.93	-60.49
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC2=C[NH+]=CN2C=C1	REAL300029687467	1	44	0.0	-76.75	368.23	5.62	-71.13
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300029687512	1	47	0.0	-83.07	397.66	3.50	-79.57
C[NH+](C)CCCCC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029687547	0	51	0.0	-72.50	403.16	4.37	-68.13
CC(C)C(C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029687569	0	51	0.0	-68.58	387.42	4.32	-64.26
CCC[N@H+](C)CCC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029687571	0	51	0.0	-71.98	399.40	4.20	-67.78
CCC[N@@H+](C)CCC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029687571	1	51	0.0	-71.96	399.40	4.18	-67.78
CCC[N@H+](C)CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029687578	0	48	0.0	-72.52	375.90	3.71	-68.81
CCC[N@@H+](C)CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029687578	1	48	0.0	-72.60	375.90	3.71	-68.89
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CC[N@H+](C1)CCC2	REAL300029687609	0	50	0.0	-70.68	379.54	3.50	-67.18
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CC[N@@H+](C1)CCC2	REAL300029687609	1	50	0.0	-70.71	379.58	3.44	-67.27
C[N@@H+]1CCC[C@@H]1C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029687678	0	46	0.0	-62.65	358.31	2.46	-60.19
C[N@H+]1CCC[C@@H]1C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029687678	1	46	0.0	-67.42	364.07	3.30	-64.12
CC1CC2CCC(C(=O)NCC34CC3CN(C(=O)C3=CC(=O)[N-]O3)C4)C[N@@H+]2C1	REAL300029687706	0	56	0.0	-67.45	425.99	5.63	-61.82
CC1CC2CCC(C(=O)NCC34CC3CN(C(=O)C3=CC(=O)[N-]O3)C4)C[N@H+]2C1	REAL300029687706	1	56	0.0	-65.31	418.87	5.90	-59.41
CCCCCC[N@H+](C)CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029687763	0	57	0.0	-73.69	440.39	6.06	-67.63
CCCCCC[N@@H+](C)CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029687763	1	57	0.0	-73.69	440.39	6.06	-67.63
CC[NH+](CC)C(C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C(C)C	REAL300029687774	0	57	0.0	-64.37	419.02	5.45	-58.92
CC[NH+](CC)CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029687785	0	48	0.0	-68.53	373.90	3.60	-64.93
CCC[N@@H+]1CCCC(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029687819	0	55	0.0	-69.29	421.66	5.24	-64.05
CCC[N@H+]1CCCC(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029687819	1	55	0.0	-71.43	420.39	5.35	-66.08
CC(C)[N@@H+]1CCOC(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029687843	0	53	0.0	-69.59	402.48	3.72	-65.87
CC(C)[N@H+]1CCOC(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029687843	1	53	0.0	-75.19	410.19	3.66	-71.53
CC1CC[NH+](CC(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029687885	0	52	0.0	-70.34	400.76	4.72	-65.62
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300029687917	1	47	0.0	-79.23	397.09	3.55	-75.68
C[NH+]1CCC(OCC(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029687927	0	53	0.0	-77.13	416.62	4.40	-72.73
C[NH+](C)CC1(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029687946	0	49	0.0	-70.55	390.06	4.02	-66.53
CC1=[NH+]C=C2CCC(C(=O)NCC34CC3CN(C(=O)C3=CC(=O)[N-]O3)C4)CN21	REAL300029687947	1	51	0.0	-66.26	404.58	5.02	-61.24
CC(C)[NH+]1CCC(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029688054	0	55	0.0	-71.97	411.92	4.93	-67.04
C[NH+]1CCC(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029688085	0	49	0.0	-74.60	381.25	3.97	-70.63
CC(C)[C@H](C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029688108	0	51	0.0	-68.56	388.29	4.35	-64.21
CCC(C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](CC)CC	REAL300029688147	0	54	0.0	-64.86	400.39	4.26	-60.60
CC[N@H+](C)CCC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029688246	0	48	0.0	-73.24	376.77	3.53	-69.71
CC[N@@H+](C)CCC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029688246	1	48	0.0	-71.34	377.90	3.46	-67.88
CC1CCC[N@@H+]1CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029688328	0	49	0.0	-58.62	383.30	3.61	-55.01
CC1CCC[N@H+]1CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029688328	1	49	0.0	-67.12	383.24	4.04	-63.08
CC1CC[N@H+](CC(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029688331	0	49	0.0	-69.57	383.44	3.79	-65.78
CC1CC[N@@H+](CC(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029688331	1	49	0.0	-69.12	383.33	3.93	-65.19
CC(C)(C)[N@@H+]1CCC(F)(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029688332	0	55	0.0	-69.13	419.95	4.34	-64.79
CC(C)(C)[N@H+]1CCC(F)(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029688332	1	55	0.0	-66.90	420.02	4.56	-62.34
CC1=[NH+]C=C2CC(C(=O)NCC34CC3CN(C(=O)C3=CC(=O)[N-]O3)C4)CCN21	REAL300029688334	1	51	0.0	-66.69	406.32	4.98	-61.71
C[NH+](C)CCC1=CC=C(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C=C1	REAL300029688336	0	55	0.0	-78.04	437.31	6.62	-71.42
CC1(C)CC[N@H+](CC(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029688338	0	52	0.0	-68.95	402.94	4.48	-64.47
CC1(C)CC[N@@H+](CC(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029688338	1	52	0.0	-69.39	403.51	4.33	-65.06
C[N@H+](CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300029688339	0	54	0.0	-72.31	404.51	4.71	-67.60
C[N@@H+](CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300029688339	1	54	0.0	-69.83	407.93	4.81	-65.02
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029688340	0	55	0.0	-76.84	435.81	6.74	-70.10
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029688340	1	55	0.0	-76.74	435.81	6.74	-70.00
CC[C@@H](C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029688352	0	48	0.0	-67.91	368.45	3.24	-64.67
CC(COCC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCC1	REAL300029688360	0	56	0.0	-68.82	436.38	5.00	-63.82
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[NH+](CC2CC2)CC1	REAL300029688462	0	56	0.0	-74.93	430.44	6.18	-68.75
C[NH+]1CCC(O)(CC(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029688619	0	53	0.0	-72.70	408.50	2.38	-70.32
COCC[N@@H+]1CCCC1CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029688626	0	56	0.0	-69.90	433.31	3.69	-66.21
COCC[N@H+]1CCCC1CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029688626	1	56	0.0	-58.56	436.31	3.50	-55.06
C[NH+](C)CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029688634	0	42	0.0	-70.92	337.80	2.24	-68.68
O=C(C[NH+]1CCC(CO)CC1)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029688639	1	53	0.0	-73.07	411.59	1.41	-71.66
O=C(C[NH+]1CCCCCC1)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029688643	0	52	0.0	-71.70	387.75	4.36	-67.34
CN1C=C[N+](CC(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029688648	0	44	0.0	-68.30	369.03	5.75	-62.55
C[N@@H+]1CCCC(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029688659	0	49	0.0	-70.32	382.52	3.85	-66.47
C[N@H+]1CCCC(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029688659	1	49	0.0	-70.74	382.37	3.86	-66.88
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@@H+]1C1CC1	REAL300029688665	0	50	0.0	-72.27	389.57	4.42	-67.85
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@H+]1C1CC1	REAL300029688665	1	50	0.0	-69.89	388.45	3.91	-65.98
CC(C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300029688705	1	46	0.0	-68.20	368.14	3.24	-64.96
CCC(CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300029688715	0	54	0.0	-72.35	408.83	4.72	-67.63
C[NH+](C)CC(C)(C)C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029688724	0	51	0.0	-67.49	385.34	3.95	-63.54
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CC(C1)C[N@@H+]2C1CC1	REAL300029688748	0	51	0.0	-59.03	387.34	4.17	-54.86
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CC(C1)C[N@H+]2C1CC1	REAL300029688748	1	51	0.0	-69.18	393.57	5.30	-63.88
O=C(C[NH+]1CCC(O)CC1)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029688772	1	50	0.0	-74.28	391.00	0.77	-73.51
C[N@H+](CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029688774	0	46	0.0	-69.61	365.93	3.71	-65.90
C[N@@H+](CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029688774	1	46	0.0	-67.67	367.06	3.64	-64.03
CC(C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)N1CC[NH+](C)CC1	REAL300029688775	1	54	0.0	-73.00	411.13	2.07	-70.93
C[NH+]1CC(CC(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029688805	0	46	0.0	-71.34	369.24	3.06	-68.28
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@@H+]1C1CCCC1	REAL300029688809	0	53	0.0	-55.63	404.09	4.54	-51.09
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@H+]1C1CCCC1	REAL300029688809	1	53	0.0	-68.37	403.49	4.58	-63.79
CC(C)(C)[N@@H+]1CCC1C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029688818	0	52	0.0	-66.44	399.30	3.77	-62.67
CC(C)(C)[N@H+]1CCC1C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029688818	1	52	0.0	-66.55	383.43	3.44	-63.11
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300029688829	0	52	0.0	-70.35	413.02	2.76	-67.59
C[C@@H](C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029688832	0	45	0.0	-68.82	355.97	2.65	-66.17
CCC1CCC[N@H+](CC(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029688886	0	55	0.0	-60.76	419.33	5.03	-55.73
CCC1CCC[N@@H+](CC(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029688886	1	55	0.0	-69.89	418.78	5.37	-64.52
C[NH+](C)CC1=CC=C(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300029688895	0	50	0.0	-75.72	404.65	3.41	-72.31
C[NH+]1C2CCC1CC(CC(=O)NCC13CC1CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029688910	0	56	0.0	-70.56	403.49	4.69	-65.87
C[NH+](C)C(CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300029688917	0	55	0.0	-68.46	425.52	6.13	-62.33
[NH2+]=C1SC=CN1CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029688959	0	42	0.0	-68.35	363.74	2.49	-65.86
C[N@H+](CCO)CCC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029688973	0	49	0.0	-71.33	388.25	0.23	-71.10
C[N@@H+](CCO)CCC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029688973	1	49	0.0	-71.06	388.23	0.21	-70.85
C[C@@H](C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029688974	0	45	0.0	-68.82	355.97	2.65	-66.17
C[N@@H+]1CCCC[C@@H]1C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029688979	0	49	0.0	-67.20	370.55	3.50	-63.70
C[N@H+]1CCCC[C@@H]1C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029688979	1	49	0.0	-65.07	379.56	3.67	-61.40
CC1CN2CC[N@@H+]1CC2C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029688989	0	52	0.0	-72.43	390.64	1.23	-71.20
CC1CN2CC[N@H+]1CC2C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029688989	1	52	0.0	-69.84	390.64	1.06	-68.78
COC1C[N@@H+]2CCCC2(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029689042	0	54	0.0	-69.16	417.22	3.25	-65.91
COC1C[N@H+]2CCCC2(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029689042	1	54	0.0	-67.35	413.65	3.02	-64.33
O=C(CC1=CC2=C[NH+]=CN2C=C1)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689058	0	47	0.0	-70.70	392.20	6.42	-64.28
C[N@H+](CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300029689092	0	50	0.0	-77.94	396.02	4.55	-73.39
C[N@@H+](CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300029689092	1	50	0.0	-78.40	396.01	4.53	-73.87
C[NH+](C)CC1=CC(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC=N1	REAL300029689132	1	51	0.0	-71.20	411.96	3.89	-67.31
C[N@@H+]1CCC(=CC(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029689134	0	47	0.0	-73.60	376.74	3.78	-69.82
C[N@H+]1CCC(=CC(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029689134	1	47	0.0	-73.59	376.79	3.78	-69.81
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1C[NH+](C2CCCCC2)C1	REAL300029689162	0	56	0.0	-74.24	428.65	5.65	-68.59
C[NH+](C)CCOCC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689181	0	49	0.0	-70.68	393.67	3.29	-67.39
CCCCC[N@H+](C)CCC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689188	0	57	0.0	-72.96	442.39	5.77	-67.19
CCCCC[N@@H+](C)CCC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689188	1	57	0.0	-72.88	442.39	5.75	-67.13
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029689198	0	53	0.0	-70.79	416.60	4.23	-66.56
C=CCC(C)(C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029689210	0	52	0.0	-64.44	393.26	4.26	-60.18
C[S+](C)CCC(O)C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689215	0	48	0.0	-72.02	402.66	1.91	-70.11
C[N@@H+]1CC(O)CC1(C)C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689253	0	50	0.0	-72.96	384.42	0.33	-72.63
CN1CC[N@H+](C)CC(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029689268	0	54	0.0	-69.41	408.12	2.23	-67.18
CN1CC[N@@H+](C)CC(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029689268	1	54	0.0	-69.41	408.12	2.23	-67.18
CC(C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[N@@H+]1CCCC(O)C1	REAL300029689269	0	53	0.0	-69.35	406.93	1.19	-68.16
O=C(CN1CCC(CO)CC1)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689285	0	53	0.0	-73.07	411.59	1.41	-71.66
O=C(C[NH+]1CCC(CO)CC1)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689285	1	53	0.0	-73.07	411.59	1.41	-71.66
C[N@@H+]1CCCC(O)(CC(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029689296	0	53	0.0	-67.80	406.94	2.66	-65.14
C[N@H+]1CCCC(O)(CC(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029689296	1	53	0.0	-67.80	406.94	2.66	-65.14
CC1CN(CC(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029689300	0	46	0.0	-70.55	367.88	3.40	-67.15
CC1C[NH+](CC(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029689300	1	46	0.0	-70.55	367.88	3.40	-67.15
NC(=O)C1CCN(CC(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029689305	0	53	0.0	-82.73	415.82	0.79	-81.94
NC(=O)C1CC[NH+](CC(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029689305	1	53	0.0	-82.73	415.82	0.79	-81.94
CN(CCO)CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689331	0	46	0.0	-73.15	364.75	-0.26	-73.41
C[N@H+](CCO)CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689331	1	46	0.0	-72.47	364.54	-0.27	-72.74
C[N@@H+](CCO)CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689331	1	46	0.0	-72.47	364.54	-0.27	-72.74
C[NH+]1C2CCC1CC(=CC(=O)NCC13CC1CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029689357	0	54	0.0	-70.57	410.89	5.17	-65.40
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1C[N@@H+]2CCN1CCC2	REAL300029689362	0	52	0.0	-75.31	384.40	1.86	-73.45
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1C[N@H+]2CCN1CCC2	REAL300029689362	1	52	0.0	-75.31	384.40	1.86	-73.45
CC[N@@H+]1CCCC(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029689371	0	52	0.0	-68.78	400.07	4.53	-64.25
CC[N@H+]1CCCC(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029689371	1	52	0.0	-68.78	400.07	4.53	-64.25
CC(CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300029689373	0	51	0.0	-72.00	394.98	4.24	-67.76
CC[N@H+](C)CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689390	0	45	0.0	-69.98	355.53	2.91	-67.07
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[N@@H+]1CCCC2	REAL300029689421	0	53	0.0	-64.81	392.23	4.64	-60.17
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[N@H+]1CCCC2	REAL300029689421	1	53	0.0	-64.81	392.23	4.64	-60.17
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[N@@H+]1CC=CC2	REAL300029689431	0	51	0.0	-66.77	384.46	4.77	-62.00
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[N@H+]1CC=CC2	REAL300029689431	1	51	0.0	-66.77	384.46	4.77	-62.00
CC[N@H+](CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029689460	0	49	0.0	-69.63	383.03	4.29	-65.34
CC[NH+](CC)CCC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689485	0	51	0.0	-70.40	395.75	4.17	-66.23
O=C(CCCC[NH+]1CCCCC1)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689525	0	58	0.0	-71.38	444.35	6.23	-65.15
CC1(O)CC[N@H+](CC(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029689560	0	50	0.0	-73.55	394.05	0.62	-72.93
C[NH+](C)CC=CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689573	0	46	0.0	-74.12	375.03	3.48	-70.64
CC(OCC[NH+](C)C)C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689603	0	52	0.0	-70.83	413.45	3.99	-66.84
C[NH+](C)CCOCCC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689615	0	52	0.0	-70.33	414.62	3.03	-67.30
COCCN(C)CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689616	0	49	0.0	-72.23	386.80	2.14	-70.09
COCC[N@H+](C)CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689616	1	49	0.0	-73.29	387.00	2.14	-71.15
COCC[N@@H+](C)CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689616	1	49	0.0	-73.29	387.00	2.14	-71.15
COCCCC[N@H+](C)CCC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689649	0	58	0.0	-75.73	454.57	4.04	-71.69
COCCCC[N@@H+](C)CCC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689649	1	58	0.0	-75.73	454.57	4.04	-71.69
C[NH+](C)C1(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300029689675	0	52	0.0	-70.44	389.25	4.51	-65.93
CC(CCC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029689678	0	51	0.0	-72.31	391.14	3.97	-68.34
CCN1CCC1C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689689	0	46	0.0	-55.70	362.70	2.79	-52.91
CC[N@@H+]1CCC1C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689689	1	46	0.0	-68.55	369.27	3.30	-65.25
CC[N@H+]1CCC1C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689689	1	46	0.0	-68.55	369.27	3.30	-65.25
CC(C)[N@@H+]1CCCC(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029689704	0	55	0.0	-63.95	410.51	5.26	-58.69
CC(C)[N@H+]1CCCC(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029689704	1	55	0.0	-63.95	410.51	5.26	-58.69
CC(C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[N@H+](C)CC1=CC=CC=C1	REAL300029689711	0	55	0.0	-70.06	432.68	6.24	-63.82
O=C(C[N@H+]1CCCC1CO)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689720	0	50	0.0	-68.54	390.98	0.72	-67.82
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@@H+]2C1	REAL300029689750	0	53	0.0	-69.30	405.30	4.99	-64.31
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@H+]2C1	REAL300029689750	1	53	0.0	-69.30	405.30	4.99	-64.31
C[NH+]1CCC(C)(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029689760	0	52	0.0	-69.09	395.52	4.32	-64.77
CC(C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)N1CCC(O)CC1	REAL300029689788	0	53	0.0	-71.09	408.69	1.13	-69.96
CC(C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC(O)CC1	REAL300029689788	1	53	0.0	-71.09	408.69	1.13	-69.96
C=CCC(C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029689806	0	49	0.0	-67.15	380.85	3.68	-63.47
C[N@@H+]1CC(C)(C)CC1C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689826	0	52	0.0	-68.29	398.01	3.89	-64.40
C[NH+](C)CCCCCC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689831	0	54	0.0	-72.11	424.66	5.16	-66.95
CC1C[N@@H+]2CCN1C(C(=O)NCC13CC1CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029689883	0	52	0.0	-80.83	390.83	1.12	-79.71
CC1C[N@H+]2CCN1C(C(=O)NCC13CC1CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029689883	1	52	0.0	-58.22	390.94	1.09	-57.13
CCCC(C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029689884	0	51	0.0	-69.32	393.04	4.62	-64.70
C[NH+](C)C(C)(C)C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689889	0	48	0.0	-70.04	365.04	3.42	-66.62
CC[NH+](CC)CCSCC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689932	0	55	0.0	-72.88	440.40	5.53	-67.35
C[N@@H+]1CCCCC1C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689944	0	49	0.0	-67.78	370.52	3.69	-64.09
C[N@H+]1CCCCC1C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689944	1	49	0.0	-70.15	370.59	3.49	-66.66
C[N@H+]1CC=C(CC(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029690000	0	50	0.0	-70.44	397.02	4.58	-65.86
C[N@@H+]1CC=C(CC(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029690000	1	50	0.0	-69.28	397.02	4.58	-64.70
O=C(CC1([NH+]2CCCC2)CC1)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029690012	0	53	0.0	-67.55	401.79	4.90	-62.65
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029690071	0	58	0.0	-72.66	420.24	4.92	-67.74
C[N@H+]1CCCC(C(C)(C)C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029690071	1	58	0.0	-72.66	420.24	4.92	-67.74
CN(C)CC1=CC=C(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029690076	0	49	0.0	-73.93	401.29	3.94	-69.99
C[NH+](C)CC1=CC=C(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029690076	1	49	0.0	-73.93	401.29	3.94	-69.99
O=C(C=CC[NH+]1CCCC1)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029690100	0	50	0.0	-72.51	398.36	4.51	-68.00
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[NH+](C2CC2)CC1	REAL300029690129	0	53	0.0	-72.05	406.08	5.18	-66.87
O=C(CC[NH+]1CCCC1)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029690158	0	49	0.0	-72.72	385.00	4.04	-68.68
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1C[NH+]2CCN1CC2	REAL300029690213	0	49	0.0	-74.42	374.12	0.71	-73.71
C[N@@H+]1CC2CC1(C(=O)NCC13CC1CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029690224	0	47	0.0	-71.70	367.95	3.42	-68.28
O=C(C[N@@H+]1CC2CCC1C2)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029690240	0	50	0.0	-67.22	382.25	4.18	-63.04
CC(C)[NH+]1CCC(CC(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029690254	0	58	0.0	-69.96	430.53	5.63	-64.33
O=C(C=C1C[NH+]2CCC1CC2)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029690306	0	51	0.0	-68.84	394.22	4.63	-64.21
O=C(CN1CC2C=CC1C2)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029690320	0	48	0.0	-55.25	376.95	3.92	-51.33
O=C(C[N@@H+]1CC2C=CC1C2)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029690320	1	48	0.0	-67.42	376.96	3.93	-63.49
O=C(C[N@H+]1CC2C=CC1C2)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029690320	1	48	0.0	-67.42	376.96	3.93	-63.49
C[NH+](C)CC(C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300029690361	0	55	0.0	-73.07	434.39	6.25	-66.82
CC(C[NH+](C)C)C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029690390	0	48	0.0	-71.24	376.20	3.51	-67.73
C[N@@H+]1CCCCC1CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029690495	0	52	0.0	-72.70	397.13	4.24	-68.46
C[N@H+]1CCCCC1CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029690495	1	52	0.0	-72.70	397.13	4.24	-68.46
CC1=C2C=C(C(=O)NCC34CC3CN(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=N1	REAL300029690518	0	47	0.0	-71.49	390.15	6.31	-65.18
CC1=C2C=C(C(=O)NCC34CC3CN(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300029690518	1	47	0.0	-71.49	390.15	6.31	-65.18
CC(C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)N1CC(C)C1	REAL300029690519	0	49	0.0	-67.57	385.42	3.97	-63.60
CC(C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CC(C)C1	REAL300029690519	1	49	0.0	-67.57	385.42	3.97	-63.60
CC1CCN1CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029690523	0	46	0.0	-70.18	362.37	3.13	-67.05
CC1CC[N@@H+]1CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029690523	1	46	0.0	-59.57	364.75	2.80	-56.77
CC1CC[N@H+]1CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029690523	1	46	0.0	-59.57	364.75	2.80	-56.77
C[NH+](C)CC(O)CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029690528	0	49	0.0	-74.78	390.28	1.28	-73.50
CC1CN(C)CC(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029690567	0	50	0.0	-62.02	390.21	3.08	-58.94
CC1C[N@H+](C)CC(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029690567	1	50	0.0	-76.29	389.79	3.38	-72.91
CC1C[N@@H+](C)CC(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029690567	1	50	0.0	-76.29	389.79	3.38	-72.91
O=C(CC[NH+]1CCC(O)CC1)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029690580	0	53	0.0	-74.56	412.89	1.31	-73.25
CCC[N@@H+]1CCCCC1C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029690583	0	55	0.0	-55.14	409.74	4.88	-50.26
CCC[N@H+]1CCCCC1C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029690583	1	55	0.0	-55.14	409.74	4.88	-50.26
CC[NH+]1CCN(CCC(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029690588	0	57	0.0	-72.11	436.41	2.89	-69.22
CCN1CC[NH+](CCC(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029690588	1	57	0.0	-72.11	436.41	2.89	-69.22
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300029690591	0	56	0.0	-64.15	412.58	5.70	-58.45
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300029690591	1	56	0.0	-64.15	412.58	5.70	-58.45
CC(C)C[NH+]1CCC(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029690641	0	58	0.0	-74.14	437.72	6.06	-68.08
C[NH+](C)C1CCN(CC(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029690669	0	57	0.0	-73.64	431.30	2.77	-70.87
C[NH+](C)[C@H]1C[C@H](C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029690692	0	49	0.0	-61.86	387.69	3.77	-58.09
CC(CC[NH+](C)C)C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029690700	0	51	0.0	-71.68	397.84	4.14	-67.54
C[N@H+](CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300029690734	0	53	0.0	-68.29	408.24	1.45	-66.84
CN1CCN(CC(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029690751	0	51	0.0	-73.55	396.98	1.57	-71.98
C[NH+]1CCN(CC(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029690751	1	51	0.0	-73.55	396.98	1.57	-71.98
NC(=[NH2+])SCC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029690797	0	40	0.0	-71.27	346.33	-0.89	-72.16
CC[N@H+]1CCOCC1CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029690845	1	53	0.0	-72.75	406.11	2.71	-70.04
C[NH+](C)CCC1(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300029690864	0	58	0.0	-68.40	433.87	5.95	-62.45
CC1CCCC(C)[NH+]1CCC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029690866	0	58	0.0	-69.86	427.26	5.41	-64.45
C[NH+](C)C1CCC(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029690869	0	55	0.0	-67.79	408.97	4.99	-62.80
C[NH+](C)CCC1(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029690870	0	52	0.0	-70.86	413.65	4.79	-66.07
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029690874	0	55	0.0	-58.43	410.65	4.61	-53.82
C[N@@H+]1CC=CCC1CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029690875	0	50	0.0	-73.09	388.98	4.12	-68.97
C[N@H+]1CC=CCC1CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029690875	1	50	0.0	-64.97	384.43	4.22	-60.75
C[C@@H](OCC[NH+](C)C)C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029690907	0	52	0.0	-69.36	413.45	3.98	-65.38
C[NH+]1C2CCC1CC(C(=O)NCC13CC1CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029690942	0	53	0.0	-70.08	379.60	4.85	-65.23
CC(C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)N1CCSCC1	REAL300029691105	0	50	0.0	-71.00	393.17	4.08	-66.92
CC(C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCSCC1	REAL300029691105	1	50	0.0	-71.00	393.17	4.08	-66.92
CCC1CN(CC(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029691108	0	49	0.0	-70.99	390.46	4.08	-66.91
CCC1C[NH+](CC(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029691108	1	49	0.0	-70.99	390.46	4.08	-66.91
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1C[NH+](C2CCOCC2)C1	REAL300029691110	0	54	0.0	-76.67	419.87	3.26	-73.41
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1([NH+]2CCCC2)CCC1	REAL300029691112	0	53	0.0	-67.07	399.98	4.75	-62.32
C[N@@H+]1CCC[C@H]1C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029691123	0	46	0.0	-68.70	357.83	2.79	-65.91
O=C(CC[N@H+]1CCC(F)C1)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029691133	0	49	0.0	-77.43	390.62	4.07	-73.36
COC1C[N@H+](C)C(C)(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029691142	0	53	0.0	-69.80	407.53	3.04	-66.76
O=C(CC[NH+]1CCCCCC1)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029691155	0	55	0.0	-74.52	410.69	4.93	-69.59
CC1C(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029691168	0	49	0.0	-66.19	374.99	2.89	-63.30
CC1C(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029691168	1	49	0.0	-66.19	374.99	2.89	-63.30
C[N@@H+]1CCCCC1CCC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029691171	0	55	0.0	-71.30	419.44	4.96	-66.34
C[N@H+]1CCCCC1CCC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029691171	1	55	0.0	-71.30	419.44	4.96	-66.34
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@@H+]2CCOCC12	REAL300029691209	0	51	0.0	-68.11	393.10	2.59	-65.52
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@H+]2CCOCC12	REAL300029691209	1	51	0.0	-68.11	393.10	2.59	-65.52
CN1CCOCC1CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029691240	0	50	0.0	-76.18	388.37	1.88	-74.30
C[N@@H+]1CCOCC1CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029691240	1	50	0.0	-62.58	381.50	1.59	-60.99
C[N@H+]1CCOCC1CC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029691240	1	50	0.0	-62.58	381.50	1.59	-60.99
CC1=C(C)NC(CCC(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300029691252	0	50	0.0	-67.35	406.91	3.60	-63.75
CC1=C(C)[NH+]=C(CCC(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300029691252	1	50	0.0	-67.35	406.91	3.60	-63.75
C[NH+](C)CCC1=CC=CC(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029691264	0	55	0.0	-75.51	437.32	6.62	-68.89
CC(C)C[N@@H+]1CCCC(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029691272	0	58	0.0	-58.43	439.05	5.78	-52.65
CC(C)C[N@H+]1CCCC(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029691272	1	58	0.0	-58.43	439.05	5.78	-52.65
C[N@@H+]1CCCC1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029691440	0	46	0.0	-69.19	363.70	3.25	-65.94
CN1CCOC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029691466	0	47	0.0	-77.37	367.59	2.27	-75.10
C[N@@H+]1CCOC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029691466	1	47	0.0	-61.08	367.09	2.30	-58.78
C[N@H+]1CCOC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029691466	1	47	0.0	-61.08	367.09	2.30	-58.78
CC1=NC=CN1CCCC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029691639	0	50	0.0	-71.03	411.99	5.27	-65.76
CC1=[NH+]C=CN1CCCC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029691639	1	50	0.0	-71.03	411.99	5.27	-65.76
O=C(CCCCN1CCOCC1)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029691643	0	56	0.0	-78.05	439.29	3.96	-74.09
O=C(CCCC[NH+]1CCOCC1)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029691643	1	56	0.0	-78.05	439.29	3.96	-74.09
C[NH+](C)CC1=CC=C(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300029691649	0	52	0.0	-79.54	415.97	5.12	-74.42
O=C(CCN1CCOCC1)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029691650	0	50	0.0	-75.53	395.14	2.46	-73.07
O=C(CC[NH+]1CCOCC1)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029691650	1	50	0.0	-75.53	395.14	2.46	-73.07
CCC[NH+](CCC)CCCC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029691678	0	60	0.0	-72.77	457.96	6.37	-66.40
CC[N@H+](C)C(C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029691679	0	55	0.0	-70.93	428.14	6.57	-64.36
O=C(NCC12CC1CN(C(=O)C13CCC[NH+]1CCC3)C2)C1=CC(=O)[N-]O1	REAL300029691697	0	50	0.0	-58.91	371.05	4.01	-54.90
O=C(NCC12CC1CN(C(=O)C1=CC3=CN=CN3C=C1)C2)C1=CC(=O)[N-]O1	REAL300029691715	0	44	0.0	-78.66	376.02	5.75	-72.91
O=C(NCC12CC1CN(C(=O)C1=CC3=C[NH+]=CN3C=C1)C2)C1=CC(=O)[N-]O1	REAL300029691715	1	44	0.0	-78.66	376.02	5.75	-72.91
C[NH+](C)C1CCCC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029691795	0	55	0.0	-65.37	416.57	4.59	-60.78
C[N@@H+]1CCC(CC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029691802	0	49	0.0	-75.41	387.83	3.79	-71.62
C[N@H+]1CCC(CC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029691802	1	49	0.0	-75.41	387.83	3.79	-71.62
CCC(C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029691822	0	48	0.0	-70.17	368.68	3.40	-66.77
O=C(NCC12CC1CN(C(=O)C1=NN(C3=CC=NC=C3)C=C1)C2)C1=CC(=O)[N-]O1	REAL300029691832	0	47	0.0	-86.05	397.45	4.03	-82.02
O=C(NCC12CC1CN(C(=O)C1=NN(C3=CC=[NH+]C=C3)C=C1)C2)C1=CC(=O)[N-]O1	REAL300029691832	1	47	0.0	-86.05	397.45	4.03	-82.02
CC1CC2CCC(C(=O)N3CC4CC4(CNC(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300029691884	0	56	0.0	-70.86	425.10	5.29	-65.57
CC1CC2CCC(C(=O)N3CC4CC4(CNC(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300029691884	1	56	0.0	-71.13	425.42	5.19	-65.94
C[NH+](C)CCCCC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029691922	0	51	0.0	-76.13	406.38	4.50	-71.63
CC(C)C(C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029691946	0	51	0.0	-70.70	381.33	3.98	-66.72
CCC[N@H+](C)CCC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029691948	0	51	0.0	-67.99	403.17	4.00	-63.99
CCC[N@@H+](C)CCC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029691948	1	51	0.0	-67.74	403.17	4.02	-63.72
CCC[N@H+](C)CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029691955	0	48	0.0	-64.70	380.81	3.43	-61.27
CCC[N@@H+](C)CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029691955	1	48	0.0	-72.07	380.03	3.58	-68.49
O=C(NCC12CC1CN(C(=O)C13CC[N@H+](C1)CCC3)C2)C1=CC(=O)[N-]O1	REAL300029691986	0	50	0.0	-70.62	372.82	3.16	-67.46
O=C(NCC12CC1CN(C(=O)C13CC[N@@H+](C1)CCC3)C2)C1=CC(=O)[N-]O1	REAL300029691986	1	50	0.0	-60.32	374.55	3.05	-57.27
CCCCCC[N@H+](C)CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029692040	0	57	0.0	-65.83	445.31	5.78	-60.05
CCCCCC[N@@H+](C)CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029692040	1	57	0.0	-73.27	444.52	5.93	-67.34
CC[NH+](CC)C(C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300029692051	0	57	0.0	-65.41	414.40	5.01	-60.40
CC1CC[NH+](CC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029692096	0	52	0.0	-65.14	404.16	4.51	-60.63
O=C(NCC12CC1CN(C(=O)C1=CN(C3=CC=[NH+]C=C3)N=C1)C2)C1=CC(=O)[N-]O1	REAL300029692128	1	47	0.0	-79.62	395.67	3.42	-76.20
C[NH+]1CCC(OCC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029692138	0	53	0.0	-80.58	420.97	4.51	-76.07
O=C(NCC12CC1CN(C(=O)C1CC3CCCC[N@@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300029692211	0	53	0.0	-75.21	405.38	4.94	-70.27
O=C(NCC12CC1CN(C(=O)C1CC3CCCC[N@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300029692211	1	53	0.0	-76.81	404.42	4.89	-71.92
C[NH+](C)CC1(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029692227	0	49	0.0	-74.16	389.81	3.91	-70.25
CC1=[NH+]C=C2CCC(C(=O)N3CC4CC4(CNC(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300029692228	1	51	0.0	-58.00	409.39	4.99	-53.01
CC(C)[NH+]1CCC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029692240	0	55	0.0	-65.70	420.52	4.80	-60.90
CC[N@H+](C)CCC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029692280	0	48	0.0	-67.24	381.67	3.26	-63.98
CC[N@@H+](C)CCC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029692280	1	48	0.0	-74.80	381.24	3.42	-71.38
CC(C)(C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029692316	0	55	0.0	-70.36	404.00	4.38	-65.98
O=C(NCC12CC1CN(C(=O)C1C[NH+]3CCC1CC3)C2)C1=CC(=O)[N-]O1	REAL300029692335	0	50	0.0	-80.39	379.59	3.93	-76.46
C[NH+]1CCC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029692437	0	49	0.0	-67.88	386.21	3.61	-64.27
CC(C)[C@H](C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029692460	0	51	0.0	-69.31	382.98	3.81	-65.50
O=C(NCC12CC1CN(C(=O)C1CC[NH+](CC3CC3)CC1)C2)C1=CC(=O)[N-]O1	REAL300029692562	0	56	0.0	-69.08	435.40	5.82	-63.26
CC[NH+](CC)CC(F)C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029692610	0	51	0.0	-75.34	396.37	3.93	-71.41
C[NH+](C)CC1=C(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)SC=C1	REAL300029692611	0	49	0.0	-60.06	400.14	4.64	-55.42
CC(C)C[N@@H+]1CCC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029692658	0	55	0.0	-72.50	421.23	5.00	-67.50
CC(C)C[N@H+]1CCC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029692658	1	55	0.0	-73.14	422.73	5.00	-68.14
C[NH+](C)C1(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300029692662	0	49	0.0	-64.94	369.97	3.18	-61.76
CCC(C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029692701	0	54	0.0	-65.16	403.96	4.51	-60.65
CC1CCC[N@@H+]1CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029692733	0	49	0.0	-68.75	379.78	3.75	-65.00
CC1CCC[N@H+]1CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029692733	1	49	0.0	-69.41	386.16	4.11	-65.30
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029692832	1	53	0.0	-67.91	426.49	5.53	-62.38
CC(C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300029692839	0	55	0.0	-62.22	410.08	4.41	-57.81
CC(C)[N@@H+]1CCCCC1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029692842	0	55	0.0	-67.96	405.82	4.64	-63.32
CC(C)[N@H+]1CCCCC1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029692842	1	55	0.0	-66.92	404.96	4.59	-62.33
CC(C)[N@@H+]1CCCC1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029692877	0	52	0.0	-66.99	396.41	4.02	-62.97
CC(C)[N@H+]1CCCC1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029692877	1	52	0.0	-69.92	391.31	4.67	-65.25
C[NH+](C)C(CN1C=CC=N1)C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029692884	1	52	0.0	-80.49	411.73	4.11	-76.38
CC(C)[N@@H+]1CCCC1CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029692890	0	55	0.0	-65.87	418.51	4.78	-61.09
CC(C)[N@H+]1CCCC1CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029692890	1	55	0.0	-65.53	411.80	4.51	-61.02
O=C(NCC12CC1CN(C(=O)C1CCC[N@@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300029692891	0	56	0.0	-68.81	425.31	5.70	-63.11
O=C(NCC12CC1CN(C(=O)C1CCC[N@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300029692891	1	56	0.0	-71.48	405.63	5.18	-66.30
CC(C)[C@@H](C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029692918	0	51	0.0	-68.25	374.42	3.63	-64.62
CC1CC[N@H+](CC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029692955	0	49	0.0	-71.46	386.46	4.03	-67.43
CC1CC[N@@H+](CC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029692955	1	49	0.0	-71.32	387.12	3.88	-67.44
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029692956	0	55	0.0	-68.28	417.98	4.48	-63.80
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029692956	1	55	0.0	-68.33	418.94	4.30	-64.03
CC1=[NH+]C=C2CC(C(=O)N3CC4CC4(CNC(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300029692958	1	51	0.0	-59.44	409.89	5.01	-54.43
C[NH+](C)CCC1=CC=C(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300029692960	0	55	0.0	-80.93	438.47	5.97	-74.96
CC1(C)CC[N@H+](CC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029692962	0	52	0.0	-63.76	406.36	4.41	-59.35
CC1(C)CC[N@@H+](CC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029692962	1	52	0.0	-69.68	404.93	4.68	-65.00
C[N@H+](CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029692963	0	54	0.0	-72.13	408.93	4.57	-67.56
C[N@@H+](CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029692963	1	54	0.0	-63.87	411.11	4.72	-59.15
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029692964	0	55	0.0	-67.07	440.48	6.60	-60.47
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029692964	1	55	0.0	-75.38	440.23	6.60	-68.78
CC[C@@H](C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029692976	0	48	0.0	-70.29	369.05	3.30	-66.99
CC(COCC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300029692984	0	56	0.0	-71.21	439.65	5.16	-66.05
CN(CCC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300029693157	0	51	0.0	-71.04	415.49	4.02	-67.02
CC1=[NH+]C=CN1CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029693290	1	44	0.0	-60.40	370.98	3.64	-56.76
CC(C[NH+]1CCOCC1)C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029693292	0	53	0.0	-75.93	412.35	2.94	-72.99
O=C(CCC[NH+]1CCCCC1)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029693314	0	55	0.0	-74.27	426.52	5.61	-68.66
C[NH+](C)CC1=CC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300029693337	1	48	0.0	-79.96	395.91	3.55	-76.41
CC1=C(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300029693339	0	47	0.0	-71.30	393.92	6.01	-65.29
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029693393	1	50	0.0	-60.66	407.23	4.76	-55.90
O=C(NCC12CC1CN(C(=O)C1CCCC3CCC[N@@H+]31)C2)C1=CC(=O)[N-]O1	REAL300029693450	0	53	0.0	-54.21	406.75	4.89	-49.32
O=C(NCC12CC1CN(C(=O)C1CCCC3CCC[N@H+]31)C2)C1=CC(=O)[N-]O1	REAL300029693450	1	53	0.0	-68.42	394.50	4.26	-64.16
CC[N@@H+]1CCOC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029693488	1	50	0.0	-75.56	385.07	3.14	-72.42
CC[N@H+]1CCOC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029693488	1	50	0.0	-75.46	385.13	3.12	-72.34
O=C(NCC12CC1CN(C(=O)C1=CN3C=[NH+]C=C3C=C1)C2)C1=CC(=O)[N-]O1	REAL300029693573	0	44	0.0	-76.97	375.93	5.75	-71.22
CC1=C[NH+]=CN1CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029693578	1	44	0.0	-60.59	371.10	4.50	-56.09
C[NH+](C)CCN1C=C(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300029693584	0	52	0.0	-81.05	420.73	3.50	-77.55
C[NH+](C)CCN1C=CC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029693600	0	52	0.0	-88.60	422.43	4.09	-84.51
C[C@@H]1[C@H](C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029693607	0	49	0.0	-75.33	373.23	3.47	-71.86
C[C@@H]1[C@H](C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029693607	1	49	0.0	-75.08	381.49	3.77	-71.31
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029693610	1	53	0.0	-68.36	427.03	5.60	-62.76
CC[C@@H]1[C@@H](C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029693613	0	52	0.0	-74.93	398.92	4.00	-70.93
CC[C@@H]1[C@@H](C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029693613	1	52	0.0	-74.70	401.46	4.28	-70.42
CC1CCC(C)[NH+]1CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029693638	0	52	0.0	-68.20	397.42	4.19	-64.01
O=C(CCC[NH+]1CCCC1)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029693645	0	52	0.0	-72.20	408.12	4.87	-67.33
C[NH+](C)CC1=CC=CC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029693646	0	52	0.0	-77.27	417.05	5.48	-71.79
C#CC[NH+]1CCC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029693654	0	51	0.0	-71.00	410.87	4.76	-66.24
O=C(CC[NH+]1CCCCC1)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029693655	0	52	0.0	-73.93	405.02	4.80	-69.13
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029693660	0	52	0.0	-65.85	414.83	5.54	-60.31
CC[N@@H+]1CCCCC1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029693670	0	52	0.0	-70.78	391.31	4.26	-66.52
CC[N@H+]1CCCCC1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029693670	1	52	0.0	-68.09	387.70	3.93	-64.16
CC(C)C(C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029693671	0	58	0.0	-57.96	429.18	5.33	-52.63
C[NH+](C)C(C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029693674	1	52	0.0	-69.35	410.89	5.62	-63.73
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029693683	1	51	0.0	-71.38	412.42	6.25	-65.13
C[NH+](C)CC1(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)CCCCC1	REAL300029693732	0	58	0.0	-75.99	410.78	4.99	-71.00
C[NH+](C)CCC1=CC=CC=C1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029693733	0	55	0.0	-65.30	435.58	6.26	-59.04
C[N@H+](CCC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300029693739	0	58	0.0	-68.56	439.99	5.65	-62.91
C[N@@H+](CCC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300029693739	1	58	0.0	-67.39	439.98	5.67	-61.72
C[NH+](C)C1(CC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029693742	0	55	0.0	-76.96	404.88	4.82	-72.14
C[N@H+](CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029694004	0	49	0.0	-63.20	387.56	4.14	-59.06
C[N@@H+](CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029694004	1	49	0.0	-69.83	387.22	4.14	-65.69
CC(C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300029694041	0	55	0.0	-58.48	410.75	4.32	-54.16
O=C(CCCC[NH+]1CCCC1)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029694061	0	55	0.0	-74.75	432.35	5.68	-69.07
C[N@H+](CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029694064	1	52	0.0	-68.63	418.24	5.62	-63.01
C[N@@H+](CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029694064	1	52	0.0	-69.00	418.05	5.75	-63.25
C[NH+]1CCC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029694082	0	49	0.0	-67.88	386.21	3.61	-64.27
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029694159	0	46	0.0	-70.50	359.26	2.68	-67.82
C[N@H+]1CCC[C@@H]1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029694159	1	46	0.0	-69.03	364.86	3.10	-65.93
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029694185	1	48	0.0	-69.61	385.99	4.08	-65.53
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029694185	1	48	0.0	-67.98	387.84	4.55	-63.43
C[N@@H+]1CCCC1CCC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029694195	0	52	0.0	-74.22	407.22	4.94	-69.28
C[N@H+]1CCCC1CCC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029694195	1	52	0.0	-72.55	403.02	4.41	-68.14
O=C(NCC12CC1CN(C(=O)C13CCC[NH+](CCC1)C3)C2)C1=CC(=O)[N-]O1	REAL300029694209	0	53	0.0	-66.58	390.20	3.73	-62.85
O=C(NCC12CC1CN(C(=O)C1CCC3CCCC[N@@H+]31)C2)C1=CC(=O)[N-]O1	REAL300029694217	0	53	0.0	-67.12	406.96	4.99	-62.13
O=C(NCC12CC1CN(C(=O)C1CCC3CCCC[N@H+]31)C2)C1=CC(=O)[N-]O1	REAL300029694217	1	53	0.0	-62.08	405.96	4.96	-57.12
CCC[N@@H+]1CCCC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029694323	0	55	0.0	-72.91	420.70	5.13	-67.78
CCC[N@H+]1CCCC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029694323	1	55	0.0	-59.96	415.05	5.08	-54.88
CC(C)[N@@H+]1CCOC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029694347	1	53	0.0	-62.43	401.71	3.61	-58.82
CC(C)[N@H+]1CCOC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029694347	1	53	0.0	-66.61	401.75	3.42	-63.19
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029694368	0	56	0.0	-66.13	416.24	2.71	-63.42
C[N@@H+]1CCCCC1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029694389	0	49	0.0	-69.16	381.89	3.73	-65.43
C[N@H+]1CCCCC1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029694389	1	49	0.0	-68.75	381.60	3.89	-64.86
CC(C)C[N@@H+]1CCCC1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029694424	0	55	0.0	-69.53	425.66	5.26	-64.27
CC(C)C[N@H+]1CCCC1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029694424	1	55	0.0	-70.71	408.02	5.21	-65.50
O=C(C[NH+]1CCC(CO)CC1)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029694445	0	53	0.0	-66.16	414.99	1.20	-64.96
C[NH+]1C2CCC1CC(=CC(=O)N1CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029694487	0	54	0.0	-71.12	411.83	5.34	-65.78
CC1C(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029694509	0	49	0.0	-72.36	384.37	3.73	-68.63
CC1C(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029694509	1	49	0.0	-75.19	377.16	3.63	-71.56
C[N@@H+]1CCCCC1CCC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029694513	0	55	0.0	-71.89	422.42	5.31	-66.58
C[N@H+]1CCCCC1CCC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029694513	1	55	0.0	-77.92	415.18	5.10	-72.82
NC1=[NH+]C2=C(C=C1C(=O)N1CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C1)CCC2	REAL300029694558	1	49	0.0	-64.71	394.41	3.08	-61.63
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029694650	0	52	0.0	-70.14	380.62	3.29	-66.85
CC(C)(C)[N@H+]1CCC1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029694650	1	52	0.0	-69.17	402.41	3.85	-65.32
O=C(NCC12CC1CN(C(=O)C1CCN(C3=CC=[NH+]C=C3)C1)C2)C1=CC(=O)[N-]O1	REAL300029694670	0	52	0.0	-76.87	413.92	2.82	-74.05
C[C@@H](C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029694675	0	45	0.0	-70.47	357.96	2.72	-67.75
C[NH+](C)CC1=CC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)=CC=N1	REAL300029694697	1	51	0.0	-65.75	411.21	3.98	-61.77
C=CCC(C)(C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029694703	0	52	0.0	-63.58	385.42	4.23	-59.35
CC[NH+](CC)CCSCC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029694737	0	55	0.0	-77.36	443.61	5.69	-71.67
NC1=C(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]C2=CC=CC=C21	REAL300029694738	1	48	0.0	-68.58	391.98	2.47	-66.11
O=C(CC[NH+]1CCCC1)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029694743	0	49	0.0	-74.19	389.34	4.10	-70.09
C[N@H+](CCO)CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029694753	1	46	0.0	-73.19	368.88	-0.39	-73.58
C[N@@H+](CCO)CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029694753	1	46	0.0	-64.55	369.44	-0.53	-65.08
O=C(NCC12CC1CN(C(=O)C1C[N@@H+]3CCN1CCC3)C2)C1=CC(=O)[N-]O1	REAL300029694799	0	52	0.0	-83.84	383.69	1.61	-82.23
O=C(NCC12CC1CN(C(=O)C1C[N@H+]3CCN1CCC3)C2)C1=CC(=O)[N-]O1	REAL300029694799	1	52	0.0	-80.35	387.86	1.57	-78.78
CC(C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300029694836	1	50	0.0	-72.73	398.95	4.28	-68.45
C[N@H+]1CC=C(CC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029694891	0	50	0.0	-71.01	400.16	4.53	-66.48
C[N@@H+]1CC=C(CC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029694891	1	50	0.0	-68.58	400.16	4.53	-64.05
C[S+](C)CCC(O)C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029694911	0	48	0.0	-65.76	401.84	1.89	-63.87
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029694939	0	50	0.0	-68.34	384.10	-0.10	-68.44
C[N@H+]1CC(O)CC1(C)C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029694939	1	50	0.0	-73.18	377.10	-0.41	-73.59
CN1CC[N@H+](C)CC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029694957	0	54	0.0	-59.55	411.41	2.08	-57.47
CN1CC[N@@H+](C)CC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029694957	1	54	0.0	-70.09	407.63	2.15	-67.94
CC(C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300029694958	0	53	0.0	-70.68	408.96	1.42	-69.26
CC(C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300029694958	1	53	0.0	-71.73	408.97	1.44	-70.29
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029694995	0	49	0.0	-70.00	400.18	3.24	-66.76
C[N@@H+]1CCCC(O)(CC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029695003	0	53	0.0	-68.42	402.04	2.38	-66.04
C[N@H+]1CCCC(O)(CC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029695003	1	53	0.0	-65.42	399.29	2.33	-63.09
CC1C[NH+](CC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029695010	1	46	0.0	-72.46	372.31	3.44	-69.02
CC[N@@H+]1CCCC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029695018	0	52	0.0	-57.82	393.63	4.39	-53.43
CC[N@H+]1CCCC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029695018	1	52	0.0	-57.87	393.82	4.38	-53.49
NC1=[NH+]C=CC=C1CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029695032	0	45	0.0	-61.83	375.58	1.98	-59.85
O=C(NCC12CC1CN(C(=O)C1CCC[N@@H+]1C1CC1)C2)C1=CC(=O)[N-]O1	REAL300029695048	0	50	0.0	-67.36	396.25	4.54	-62.82
O=C(NCC12CC1CN(C(=O)C1CCC[N@H+]1C1CC1)C2)C1=CC(=O)[N-]O1	REAL300029695048	1	50	0.0	-71.29	390.40	3.95	-67.34
O=C(C=CC[NH+]1CCCC1)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029695111	0	50	0.0	-74.41	399.22	4.68	-69.73
O=C(NCC12CC1CN(C(=O)C1CC[NH+](C3CC3)CC1)C2)C1=CC(=O)[N-]O1	REAL300029695143	0	53	0.0	-72.05	406.88	4.77	-67.28
CC[N@H+](C)CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029695201	0	45	0.0	-64.21	359.07	2.83	-61.38
O=C(CN1CC2C=CC1C2)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029695280	0	48	0.0	-67.70	379.79	4.01	-63.69
O=C(C[N@@H+]1CC2C=CC1C2)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029695280	1	48	0.0	-68.20	380.48	4.23	-63.97
O=C(C[N@H+]1CC2C=CC1C2)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029695280	1	48	0.0	-68.20	380.48	4.23	-63.97
CC1=CC=C(NCCC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)N=C1	REAL300029695305	0	51	0.0	-69.41	419.88	3.77	-65.64
CC1=CC=C(NCCC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)[NH+]=C1	REAL300029695305	1	51	0.0	-69.41	419.88	3.77	-65.64
O=C(NCC12CC1CN(C(=O)C13CCC[N@@H+]1CCCC3)C2)C1=CC(=O)[N-]O1	REAL300029695450	0	53	0.0	-67.91	391.14	4.17	-63.74
O=C(NCC12CC1CN(C(=O)C13CCC[N@H+]1CCCC3)C2)C1=CC(=O)[N-]O1	REAL300029695450	1	53	0.0	-67.91	391.14	4.17	-63.74
O=C(NCC12CC1CN(C(=O)C13CCC[N@@H+]1CC=CC3)C2)C1=CC(=O)[N-]O1	REAL300029695462	0	51	0.0	-64.90	382.65	4.25	-60.65
O=C(NCC12CC1CN(C(=O)C13CCC[N@H+]1CC=CC3)C2)C1=CC(=O)[N-]O1	REAL300029695462	1	51	0.0	-64.90	382.65	4.25	-60.65
CC(OCC[NH+](C)C)C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029695476	0	52	0.0	-70.35	411.57	3.99	-66.36
C[NH+](C)CCOCCC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029695489	0	52	0.0	-73.77	417.83	3.17	-70.60
COCCN(C)CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029695491	0	49	0.0	-63.98	391.70	1.87	-62.11
COCC[N@H+](C)CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029695491	1	49	0.0	-73.52	391.13	2.01	-71.51
COCC[N@@H+](C)CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029695491	1	49	0.0	-73.52	391.13	2.01	-71.51
CC(CCC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029695498	0	51	0.0	-78.32	394.66	4.10	-74.22
CC[N@H+](CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029695541	0	49	0.0	-69.29	387.18	4.36	-64.93
CC1C[N@@H+]2CCN1C(C(=O)N1CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029695561	0	52	0.0	-79.72	389.43	1.17	-78.55
C[N@@H+]1CC2CC1(C(=O)N1CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029695600	0	47	0.0	-74.51	369.46	3.27	-71.24
CC1=NC(N)=CC=C1C=CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029695612	0	49	0.0	-67.15	405.34	2.70	-64.45
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029695612	1	49	0.0	-67.15	405.34	2.70	-64.45
O=C(C[N@@H+]1CC2CCC1C2)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029695621	0	50	0.0	-63.86	385.72	3.93	-59.93
O=C(C[N@H+]1CC2CCC1C2)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029695621	1	50	0.0	-63.86	385.72	3.93	-59.93
CC(C)[NH+]1CCC(CC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029695639	0	58	0.0	-69.45	438.60	5.95	-63.50
CC(C[NH+](C)C)C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029695655	0	48	0.0	-66.84	373.88	3.52	-63.32
CCN1CCC1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029695723	0	46	0.0	-72.42	372.33	3.31	-69.11
CC[N@@H+]1CCC1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029695723	1	46	0.0	-72.49	372.89	3.29	-69.20
CC[N@H+]1CCC1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029695723	1	46	0.0	-72.49	372.89	3.29	-69.20
CC(C)[N@@H+]1CCCC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029695741	0	55	0.0	-71.32	416.06	4.88	-66.44
CC(C)[N@H+]1CCCC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029695741	1	55	0.0	-71.32	416.06	4.88	-66.44
CCC(C)(C)[NH2+]C(C)C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029695769	0	54	0.0	-69.21	400.11	2.93	-66.28
C#CCN1CCCCC1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029695829	0	51	0.0	-67.63	398.75	4.78	-62.85
C#CC[N@H+]1CCCCC1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029695829	1	51	0.0	-68.24	407.24	4.90	-63.34
C#CC[N@@H+]1CCCCC1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029695829	1	51	0.0	-68.24	407.24	4.90	-63.34
CNC1=NC(C)=CC=C1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029695833	0	48	0.0	-66.79	390.23	2.97	-63.82
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029695833	1	48	0.0	-66.79	390.23	2.97	-63.82
CCCC(C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029695847	0	51	0.0	-67.27	389.94	4.11	-63.16
C[NH+](C)C(C)(C)C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029695855	0	48	0.0	-61.62	361.73	3.17	-58.45
CC(CC[NH+](C)C)C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029695882	0	51	0.0	-72.78	400.50	4.17	-68.61
O=C(NCC12CC1CN(C(=O)[C@@H]1CCC[N@@H+]3CCCC[C@H]13)C2)C1=CC(=O)[N-]O1	REAL300029695951	0	56	0.0	-81.57	413.58	4.81	-76.76
O=C(NCC12CC1CN(C(=O)[C@@H]1CCC[N@H+]3CCCC[C@H]13)C2)C1=CC(=O)[N-]O1	REAL300029695951	1	56	0.0	-65.83	412.08	5.34	-60.49
O=C(NCC12CC1CN(C(=O)C13CC(C1)C[N@@H+]3C1CC1)C2)C1=CC(=O)[N-]O1	REAL300029695992	0	51	0.0	-72.55	395.59	4.82	-67.73
O=C(NCC12CC1CN(C(=O)C13CC(C1)C[N@H+]3C1CC1)C2)C1=CC(=O)[N-]O1	REAL300029695992	1	51	0.0	-58.14	394.22	5.42	-52.72
COCCCC[N@H+](C)CCC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029696044	0	58	0.0	-79.71	457.85	4.21	-75.50
COCCCC[N@@H+](C)CCC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029696044	1	58	0.0	-71.50	458.34	3.87	-67.63
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029696056	0	52	0.0	-70.33	399.32	4.02	-66.31
C[N@H+]1CC(C)(C)CC1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029696056	1	52	0.0	-70.25	393.96	3.77	-66.48
C[NH+](C)CCCCCC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029696062	0	54	0.0	-75.27	427.88	5.29	-69.98
O=C(CC[NH+]1CCC(O)CC1)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029696068	0	53	0.0	-75.71	414.98	1.53	-74.18
CCC[N@@H+]1CCCCC1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029696074	0	55	0.0	-68.69	421.21	5.10	-63.59
CCC[N@H+]1CCCCC1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029696074	1	55	0.0	-69.29	409.47	4.85	-64.44
CC[NH+]1CCN(CCC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029696085	0	57	0.0	-67.40	439.68	2.68	-64.72
CCN1CC[NH+](CCC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029696085	1	57	0.0	-75.49	439.63	3.03	-72.46
C[NH+]1CCN(CC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029696089	1	51	0.0	-72.79	400.04	1.85	-70.94
CC(C)C[NH+]1CCC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029696232	0	58	0.0	-68.50	442.51	5.69	-62.81
CC1C[N@H+](C)CC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029696235	1	50	0.0	-84.80	388.99	3.15	-81.65
CC1C[N@@H+](C)CC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029696235	1	50	0.0	-85.79	395.99	3.16	-82.63
CCC1CCC[N@H+](CC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029696277	0	55	0.0	-72.72	414.94	5.24	-67.48
CCC1CCC[N@@H+](CC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029696277	1	55	0.0	-64.92	422.55	5.15	-59.77
C[NH+](C)CC1=CC=C(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029696288	0	50	0.0	-78.64	402.90	3.93	-74.71
O=C(C[NH+]1CC2CC2C1)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029696313	0	47	0.0	-65.95	376.82	4.04	-61.91
O=C(CC1([NH+]2CCCC2)CC1)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029696336	0	53	0.0	-69.92	406.13	5.12	-64.80
CC([NH2+]C1(CO)CCCC1)C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029696359	0	56	0.0	-64.94	423.10	-0.02	-64.96
C[N@@H+]1CCCCC1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029696396	0	49	0.0	-69.16	381.89	3.73	-65.43
C[N@H+]1CCCCC1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029696396	1	49	0.0	-68.75	381.60	3.89	-64.86
O=C(NCC12CC1CN(C(=O)C1CC[N@@H+]1CC1=CC=CC=C1)C2)C1=CC(=O)[N-]O1	REAL300029696404	1	53	0.0	-70.75	423.79	5.99	-64.76
O=C(NCC12CC1CN(C(=O)C1CC[N@H+]1CC1=CC=CC=C1)C2)C1=CC(=O)[N-]O1	REAL300029696404	1	53	0.0	-70.46	424.84	6.07	-64.39
CC(C)C[N@@H+]1CCCC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029696411	0	58	0.0	-66.29	432.24	5.79	-60.50
CC(C)C[N@H+]1CCCC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029696411	1	58	0.0	-60.56	432.21	5.79	-54.77
C[NH+](C)C1CCN(CC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029696486	0	57	0.0	-72.57	434.35	3.04	-69.53
C[N@@H+]1CCC(=CC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029696568	0	47	0.0	-76.97	378.80	3.68	-73.29
C[N@H+]1CCC(=CC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029696568	1	47	0.0	-76.98	378.61	3.70	-73.28
O=C(CNC1=CC=[NH+]C=C1)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029696576	0	45	0.0	-73.68	376.73	1.62	-72.06
CC[NH+]1CCN(CC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029696649	0	54	0.0	-71.73	417.27	2.48	-69.25
O=C(C=C1C[NH+]2CCC1CC2)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029696652	0	51	0.0	-62.12	396.76	4.42	-57.70
C[NH+](C)C1(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029696708	0	52	0.0	-76.01	377.68	3.68	-72.33
C[N@H+](CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029696725	0	53	0.0	-65.52	410.27	1.82	-63.70
C[N@@H+](CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029696725	1	53	0.0	-70.53	412.09	1.57	-68.96
CCC1C[NH+](CC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029696733	0	49	0.0	-73.48	393.68	4.20	-69.28
O=C(NCC12CC1CN(C(=O)C1C[NH+](C3CCOCC3)C1)C2)C1=CC(=O)[N-]O1	REAL300029696737	0	54	0.0	-69.74	424.85	3.02	-66.72
O=C(NCC12CC1CN(C(=O)C1([NH+]3CCCC3)CCC1)C2)C1=CC(=O)[N-]O1	REAL300029696740	0	53	0.0	-58.71	394.72	4.79	-53.92
C[N@@H+]1CCC[C@H]1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029696757	0	46	0.0	-68.18	363.89	2.96	-65.22
C[N@H+]1CCC[C@H]1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029696757	1	46	0.0	-70.35	359.65	2.67	-67.68
CC[N@@H+]1CCOCC1CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029696799	0	53	0.0	-77.68	409.89	2.66	-75.02
O=C(NCC12CC1CN(C(=O)C1=CC(=O)NC3=C1CCC[NH2+]3)C2)C1=CC(=O)[N-]O1	REAL300029696808	0	50	0.0	-90.50	407.27	1.72	-88.78
O=C(NCC12CC1CN(C(=O)C1C[NH+](C3CCCCC3)C1)C2)C1=CC(=O)[N-]O1	REAL300029696828	0	56	0.0	-77.12	433.09	5.69	-71.43
COC1C[N@@H+]2CCCC2(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029696850	0	54	0.0	-71.14	412.14	2.81	-68.33
COC1C[N@H+]2CCCC2(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029696850	1	54	0.0	-68.70	413.08	2.59	-66.11
NC1=CC=C(CCC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300029696863	0	48	0.0	-73.05	400.10	2.89	-70.16
O=C(CC1=CC2=C[NH+]=CN2C=C1)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029696871	0	47	0.0	-70.98	395.42	6.55	-64.43
NC1=[NH+]C2=CC(C(=O)N3CC4CC4(CNC(=O)C4=CC(=O)[N-]O4)C3)=CC=C2N1	REAL300029696927	1	46	0.0	-56.90	381.49	3.19	-53.71
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029696983	0	49	0.0	-62.87	390.77	3.87	-59.00
C[NH+](C)CCC1(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029696996	0	58	0.0	-76.94	434.59	5.24	-71.70
CC1CCCC(C)[NH+]1CCC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029696998	0	58	0.0	-71.42	431.60	5.47	-65.95
C[NH+](C)C1CCC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029697001	0	55	0.0	-68.49	410.23	4.47	-64.02
C[NH+](C)CCC1(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029697002	0	52	0.0	-77.73	411.32	4.68	-73.05
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029697007	0	55	0.0	-65.12	409.30	4.59	-60.53
C[N@@H+]1CC=CCC1CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029697008	0	50	0.0	-77.17	391.79	4.46	-72.71
C[N@H+]1CC=CCC1CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029697008	1	50	0.0	-77.17	391.79	4.46	-72.71
CC1=CC(C=CC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)=CN=C1N	REAL300029697081	0	49	0.0	-70.34	405.53	3.00	-67.34
CC1=CC(C=CC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)=C[NH+]=C1N	REAL300029697081	1	49	0.0	-70.34	405.53	3.00	-67.34
C[NH+](C)CCOCC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029697098	0	49	0.0	-72.64	396.88	3.47	-69.17
CCCCC[N@H+](C)CCC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029697105	0	57	0.0	-68.64	446.16	5.58	-63.06
CCCCC[N@@H+](C)CCC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029697105	1	57	0.0	-68.64	446.16	5.58	-63.06
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029697120	0	53	0.0	-74.85	416.48	4.50	-70.35
[NH2+]=C1SC=CN1CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029697155	0	42	0.0	-57.22	368.40	2.34	-54.88
C[C@@H](OCC[NH+](C)C)C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029697258	0	52	0.0	-70.50	412.78	3.91	-66.59
O=C(CC[NH+]1CCCCCC1)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029697341	0	55	0.0	-73.18	414.33	5.44	-67.74
O=C(C[NH+]1CCCCC1)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029697346	0	49	0.0	-71.87	382.57	4.05	-67.82
C[N@@H+]1CCCC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029697348	0	49	0.0	-73.99	381.81	3.69	-70.30
C[N@H+]1CCCC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029697348	1	49	0.0	-74.08	381.79	3.75	-70.33
O=C(C[NH+]1CCC(CO)CC1)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029697350	0	53	0.0	-66.16	414.99	1.20	-64.96
O=C(C[NH+]1CCCCCC1)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029697356	0	52	0.0	-70.84	391.90	4.23	-66.61
CN1C=C[N+](CC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029697363	0	44	0.0	-69.77	372.25	5.86	-63.91
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029697384	0	58	0.0	-86.15	417.95	4.43	-81.72
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029697384	1	58	0.0	-75.95	423.05	4.79	-71.16
C[NH+](C)CC1=CC=C(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029697390	1	49	0.0	-79.83	400.13	4.17	-75.66
C[NH+](C)CC1=CC=C(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300029697399	0	51	0.0	-79.74	412.02	3.92	-75.82
O=C(C[NH+]1CCC(O)CC1)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029697420	1	50	0.0	-69.49	394.40	0.55	-68.94
C[N@@H+](CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029697427	1	46	0.0	-69.70	370.42	3.76	-65.94
CC(C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300029697429	1	54	0.0	-69.67	408.20	1.87	-67.80
O=C(CC[N@@H+]1CCC(F)C1)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029697435	1	49	0.0	-79.58	395.70	4.19	-75.39
COC1C[N@@H+](C)C(C)(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029697452	1	53	0.0	-66.34	404.17	2.06	-64.28
C[NH+](C)CCC1=CC=CC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029697474	0	55	0.0	-61.94	437.90	6.27	-55.67
CC(CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029697480	0	51	0.0	-73.38	397.17	4.45	-68.93
O=C(NCC12CC1CN(C(=O)C1CC[N@@H+]3CCOCC13)C2)C1=CC(=O)[N-]O1	REAL300029697503	0	51	0.0	-70.33	391.53	2.46	-67.87
O=C(NCC12CC1CN(C(=O)C1CC[N@H+]3CCOCC13)C2)C1=CC(=O)[N-]O1	REAL300029697503	1	51	0.0	-69.83	394.05	2.61	-67.22
CC1=[NH+]C=C2C=CC(C(=O)N3CC4CC4(CNC(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300029697512	0	47	0.0	-72.38	397.37	5.53	-66.85
CN1CCOCC1CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029697536	0	50	0.0	-67.97	384.22	2.08	-65.89
C[N@@H+]1CCOCC1CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029697536	1	50	0.0	-67.92	384.01	2.07	-65.85
C[N@H+]1CCOCC1CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029697536	1	50	0.0	-67.97	384.22	2.08	-65.89
C[NH+](C)CC(C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029697546	0	55	0.0	-81.91	433.40	6.14	-75.77
CC[NH+]1CCN(CC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029697552	0	54	0.0	-71.73	417.27	2.48	-69.25
CC1=CC(N)=[NH+]C=C1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029697626	1	45	0.0	-75.17	369.85	1.59	-73.58
NC1=CC=C(CCC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300029697629	0	48	0.0	-73.05	400.10	2.89	-70.16
CC1(O)CC[N@@H+](CC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029697697	1	50	0.0	-72.80	397.50	0.55	-72.25
C[NH+](C)CCN1N=CC=C1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029697708	0	52	0.0	-66.52	415.43	3.52	-63.00
C[NH+]1CC(CC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029697748	0	46	0.0	-74.08	372.30	3.19	-70.89
O=C(NCC12CC1CN(C(=O)C1CC[N@@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300029697754	0	53	0.0	-67.20	393.42	5.02	-62.18
O=C(NCC12CC1CN(C(=O)C1CC[N@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300029697754	1	53	0.0	-73.54	411.27	5.10	-68.44
C[NH+](C)CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029697764	0	42	0.0	-72.70	341.02	2.34	-70.36
C[N@H+](CCO)CCC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029697811	0	49	0.0	-66.00	392.02	0.06	-65.94
C[N@@H+](CCO)CCC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029697811	1	49	0.0	-74.13	391.48	0.39	-73.74
C[C@@H](C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029697812	0	45	0.0	-70.47	357.96	2.72	-67.75
C[N@@H+]1CCCCC1CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029697840	0	52	0.0	-63.31	392.98	4.25	-59.06
C[N@H+]1CCCCC1CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029697840	1	52	0.0	-60.96	393.10	4.24	-56.72
CC1=C2C=C(C(=O)N3CC4CC4(CNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029697874	1	47	0.0	-73.16	396.80	6.40	-66.76
CC(C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300029697875	0	49	0.0	-69.70	384.60	3.74	-65.96
CC1CC[N@@H+]1CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029697881	1	46	0.0	-69.52	371.46	3.49	-66.03
CC1CC[N@H+]1CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029697881	1	46	0.0	-70.27	366.86	3.15	-67.12
C[NH+](C)CC=CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029697902	0	46	0.0	-75.70	374.61	3.61	-72.09
CC1(C)C[NH+](CC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029697918	1	49	0.0	-70.83	390.48	4.03	-66.80
O=C(CCCC[NH+]1CCCCC1)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029697932	0	58	0.0	-73.10	446.42	6.43	-66.67
CC1=C(C)[NH+]=C(CCC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029697947	1	50	0.0	-68.58	412.26	3.72	-64.86
C[NH+]1CCC(C2(C(=O)N3CC4CC4(CNC(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029697961	0	56	0.0	-77.06	426.74	5.61	-71.45
CC1=C2C=C(C(=O)N3CC4CC4(CNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029697971	1	47	0.0	-73.16	396.80	6.40	-66.76
C[NH+](C)CCSCC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029697984	0	49	0.0	-79.56	407.91	4.32	-75.24
CC(C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300029698005	0	55	0.0	-73.56	435.25	6.12	-67.44
CC(C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300029698005	1	55	0.0	-69.10	434.91	6.06	-63.04
NC1=[NH+]C2=C(C=C1C(=O)N1CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C1)CCCC2	REAL300029698009	1	52	0.0	-64.60	411.57	3.66	-60.94
O=C(C[N@H+]1CCCC1CO)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029698017	0	50	0.0	-63.69	391.00	0.23	-63.46
O=C(C[N@@H+]1CCCC1CO)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029698017	1	50	0.0	-70.83	390.67	0.22	-70.61
CC[NH+](CC)CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029698020	0	48	0.0	-70.48	376.77	3.69	-66.79
C[N@H+](CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029698033	0	50	0.0	-77.34	400.36	4.60	-72.74
C[N@@H+](CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029698033	1	50	0.0	-78.49	400.35	4.57	-73.92
O=C(C[NH+]1CCC1)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029698035	1	43	0.0	-72.66	351.31	2.82	-69.84
CC[NH+](CC)CCC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029698101	0	51	0.0	-74.22	394.62	4.01	-70.21
NC(=O)C1CC[NH+](CC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029698127	0	53	0.0	-78.49	419.23	0.57	-77.92
C[NH+](C)CC1=CNC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029698186	0	50	0.0	-79.16	402.64	3.78	-75.38
CC(C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300029698212	0	53	0.0	-64.60	403.91	0.64	-63.96
O=C(NCC12CC1CN(C(=O)C1CC3COCC[N@@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300029698220	0	51	0.0	-66.27	397.18	2.40	-63.87
O=C(NCC12CC1CN(C(=O)C1CC3COCC[N@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300029698220	1	51	0.0	-75.49	395.75	2.57	-72.92
CC(C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029698242	1	46	0.0	-61.23	362.20	2.96	-58.27
CCC(CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029698254	0	54	0.0	-76.51	414.81	5.05	-71.46
NC1=CC=C(C=CC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300029698263	0	46	0.0	-71.25	387.73	2.24	-69.01
C[NH+](C)CC(C)(C)C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029698264	0	51	0.0	-67.55	379.39	3.52	-64.03
C[NH+](C)C(CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029698309	0	55	0.0	-79.72	431.20	6.38	-73.34
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029698347	0	49	0.0	-69.29	370.14	3.28	-66.01
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029698347	1	49	0.0	-68.81	381.99	3.92	-64.89
CC1CN2CC[N@@H+]1CC2C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029698364	0	52	0.0	-81.40	391.24	0.85	-80.55
CC1CN2CC[N@H+]1CC2C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029698364	1	52	0.0	-79.04	391.29	0.86	-78.18
C[NH+](C)CC(O)CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029698397	0	49	0.0	-78.81	393.50	1.41	-77.40
C[NH+]1C2CCC1CC(C(=O)N1CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029698400	0	53	0.0	-67.34	376.83	4.56	-62.78
C=CCC(C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029698454	0	49	0.0	-67.85	382.90	3.74	-64.11
O=C(NCC12CC1CN(C(=O)C1CC3CCCC[N@@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300029698469	0	53	0.0	-75.21	405.38	4.94	-70.27
O=C(NCC12CC1CN(C(=O)C1CC3CCCC[N@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300029698469	1	53	0.0	-76.81	404.42	4.89	-71.92
C[NH+]1CCC(C)(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029698486	0	52	0.0	-71.45	389.89	3.89	-67.56
C[NH+]1CCC(O)(CC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029698492	0	53	0.0	-75.03	411.22	2.69	-72.34
COCC[N@@H+]1CCCC1CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029698508	0	56	0.0	-57.21	431.85	4.10	-53.11
COCC[N@H+]1CCCC1CC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029698508	1	56	0.0	-71.39	440.00	3.84	-67.55
C[NH+]1C2CCC1CC(CC(=O)N1CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029698523	0	56	0.0	-75.21	406.69	4.82	-70.39
C[NH+](C)CCN1N=CC=C1C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029698568	0	52	0.0	-70.39	417.04	3.72	-66.67
C[NH+]1CCC(C2(C(=O)NCC34CC3CN(C(=O)C3=CC(=O)[N-]O3)C4)CC2)CC1	REAL300029698617	0	56	0.0	-67.68	426.07	5.92	-61.76
CC1=C2C=C(C(=O)NCC34CC3CN(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300029698629	1	47	0.0	-71.49	390.15	6.31	-65.18
C[NH+](C)CCSCC(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029698641	0	49	0.0	-75.13	404.69	4.18	-70.95
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2COCC[N@@H+]2C1	REAL300029698653	0	51	0.0	-71.44	396.48	2.59	-68.85
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2COCC[N@H+]2C1	REAL300029698653	1	51	0.0	-72.46	396.33	2.39	-70.07
C[N@@H+]1CCCC1C(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029698819	0	57	0.0	-71.68	406.73	3.98	-67.70
C[N@H+]1CCCC1C(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029698819	1	57	0.0	-70.76	406.74	4.09	-66.67
C[N@@H+]1CCOC(C(=O)NCC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029698843	1	58	0.0	-77.95	417.24	3.87	-74.08
C[N@H+]1CCOC(C(=O)NCC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029698843	1	58	0.0	-83.85	424.39	4.02	-79.83
CC1=[NH+]C=CN1CC(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029698983	1	55	0.0	-68.95	416.43	5.17	-63.78
C[C@@H]1[C@H](C(=O)NCC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300029699003	0	60	0.0	-76.42	422.89	4.44	-71.98
C[C@@H]1[C@H](C(=O)NCC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300029699003	1	60	0.0	-74.87	428.82	4.73	-70.14
C[NH+](C)C1(C(=O)NCC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300029699024	0	60	0.0	-75.94	421.87	4.96	-70.98
CC(C)[C@@H](C(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029699026	0	62	0.0	-71.49	435.42	5.66	-65.83
C[N@H+](CC(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300029699037	0	60	0.0	-70.98	433.18	5.55	-65.43
C[N@@H+](CC(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300029699037	1	60	0.0	-71.03	433.12	5.53	-65.50
C[NH+]1CCC(C(=O)NCC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029699064	0	60	0.0	-77.11	431.59	5.22	-71.89
C[N@@H+]1CCCCC1C(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699071	0	60	0.0	-69.98	428.43	5.05	-64.93
C[N@H+]1CCCCC1C(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699071	1	60	0.0	-70.37	428.93	5.15	-65.22
CC1=C[NH+]=CN1CC(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699089	1	55	0.0	-72.75	415.69	5.86	-66.89
C[N@@H+]1CCC(CC(=O)NCC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029699099	0	60	0.0	-75.89	433.53	5.16	-70.73
C[N@H+]1CCC(CC(=O)NCC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029699099	1	60	0.0	-75.60	433.07	5.05	-70.55
CCC(C(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029699102	0	59	0.0	-70.66	416.37	4.46	-66.20
C[NH+](C)CCCCC(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699117	0	62	0.0	-75.40	452.33	5.71	-69.69
CC(C)C(C(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029699122	0	62	0.0	-70.53	433.99	5.71	-64.82
CCC[N@H+](C)CCC(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699123	0	62	0.0	-75.13	448.57	5.52	-69.61
CCC[N@@H+](C)CCC(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699123	1	62	0.0	-75.11	448.57	5.52	-69.59
CCC[N@H+](C)CC(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699124	0	59	0.0	-73.17	426.20	4.97	-68.20
CCC[N@@H+](C)CC(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699124	1	59	0.0	-73.21	426.20	4.98	-68.23
C[N@@H+]1CCC[C@@H]1C(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699139	0	57	0.0	-71.42	406.73	4.12	-67.30
C[N@H+]1CCC[C@@H]1C(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699139	1	57	0.0	-69.95	413.33	4.63	-65.32
CC[NH+](CC)CC(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699151	0	59	0.0	-71.03	422.38	4.82	-66.21
C[NH+](C)CC1(C(=O)NCC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029699206	0	60	0.0	-71.33	439.09	5.32	-66.01
C[NH+]1CCC(C(=O)NCC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029699232	0	60	0.0	-77.11	431.59	5.22	-71.89
CC(C)[C@H](C(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029699247	0	62	0.0	-70.74	434.95	5.65	-65.09
CC[N@H+](C)CCC(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699282	0	59	0.0	-74.42	427.07	4.79	-69.63
CC[N@@H+](C)CCC(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699282	1	59	0.0	-74.38	427.07	4.78	-69.60
CC1CCC[N@@H+]1CC(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699293	0	60	0.0	-69.14	425.46	4.85	-64.29
CC1CCC[N@H+]1CC(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699293	1	60	0.0	-69.98	431.91	5.22	-64.76
CC1CC[N@H+](CC(=O)NCC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029699294	0	60	0.0	-71.71	431.96	5.19	-66.52
CC1CC[N@@H+](CC(=O)NCC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029699294	1	60	0.0	-71.91	432.19	5.21	-66.70
CC[C@@H](C(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029699297	0	59	0.0	-69.80	416.42	4.54	-65.26
C[NH+](C)CC(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699336	0	53	0.0	-73.60	386.96	3.56	-70.04
CN1C=C[N+](CC(=O)NCC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300029699337	0	55	0.0	-70.65	418.20	7.07	-63.58
C[N@@H+]1CCCC(C(=O)NCC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029699340	0	60	0.0	-67.20	425.31	5.40	-61.80
C[N@H+]1CCCC(C(=O)NCC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029699340	1	60	0.0	-67.84	425.31	5.40	-62.44
CC(C(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC1	REAL300029699348	1	57	0.0	-70.50	414.63	4.53	-65.97
C[NH+](C)CC(C)(C)C(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699351	0	62	0.0	-68.87	435.18	5.24	-63.63
C[N@H+](CC(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029699358	0	57	0.0	-70.21	416.24	4.97	-65.24
C[N@@H+](CC(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029699358	1	57	0.0	-70.31	416.23	4.97	-65.34
C[NH+]1CC(CC(=O)NCC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029699369	0	57	0.0	-74.20	418.41	4.39	-69.81
C[C@@H](C(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029699382	0	56	0.0	-71.85	404.91	3.97	-67.88
C[N@H+](CCO)CCC(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699422	0	60	0.0	-74.14	437.42	1.56	-72.58
C[N@@H+](CCO)CCC(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699422	1	60	0.0	-74.18	437.47	1.51	-72.67
C[C@@H](C(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029699423	0	56	0.0	-71.85	404.91	3.97	-67.88
C[N@@H+]1CCCC[C@@H]1C(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699426	0	60	0.0	-70.48	419.23	4.91	-65.57
C[N@H+]1CCCC[C@@H]1C(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699426	1	60	0.0	-69.16	428.36	5.07	-64.09
C[N@@H+]1CCC(=CC(=O)NCC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029699463	0	58	0.0	-76.53	425.82	5.11	-71.42
C[N@H+]1CCC(=CC(=O)NCC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029699463	1	58	0.0	-76.60	424.85	5.14	-71.46
C[NH+](C)CCOCC(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699473	0	60	0.0	-72.93	442.84	4.62	-68.31
C[C@H](C(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029699484	0	56	0.0	-71.32	405.04	3.95	-67.37
CC1C[NH+](CC(=O)NCC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029699501	1	57	0.0	-73.20	418.23	4.66	-68.54
C[N@H+](CCO)CC(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699514	1	57	0.0	-73.84	415.05	1.00	-72.84
C[N@@H+](CCO)CC(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699514	1	57	0.0	-73.02	415.20	0.98	-72.04
CC(CC(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300029699526	0	62	0.0	-77.52	443.86	5.45	-72.07
CC[N@H+](C)CC(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699528	0	56	0.0	-72.85	404.71	4.24	-68.61
CC[N@@H+](C)CC(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699528	1	56	0.0	-72.86	404.71	4.24	-68.62
CC[N@H+](CC(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029699538	0	60	0.0	-71.51	427.76	5.06	-66.45
CC[N@@H+](CC(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029699538	1	60	0.0	-70.09	432.77	5.47	-64.62
CC[NH+](CC)CCC(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699544	0	62	0.0	-73.54	440.00	5.09	-68.45
C[NH+](C)CC=CC(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699560	0	57	0.0	-77.44	424.20	4.82	-72.62
COCC[N@H+](C)CC(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699569	1	60	0.0	-72.68	437.44	3.38	-69.30
COCC[N@@H+](C)CC(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699569	1	60	0.0	-74.01	437.30	3.40	-70.61
CC(CCC(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029699579	0	62	0.0	-72.86	443.25	5.18	-67.68
CC[N@@H+]1CCC1C(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699584	1	57	0.0	-70.80	411.71	4.19	-66.61
CC[N@H+]1CCC1C(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699584	1	57	0.0	-71.77	418.37	4.49	-67.28
C=CCC(C(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029699609	0	60	0.0	-69.92	429.72	4.95	-64.97
CC(C)(CNC(=O)C[NH+]1CC2CC2C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699617	0	58	0.0	-73.16	422.32	5.44	-67.72
CCCC(C(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029699626	0	62	0.0	-71.57	437.87	5.21	-66.36
C[NH+](C)C(C)(C)C(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699628	0	59	0.0	-75.34	414.43	4.72	-70.62
C[N@@H+]1CCCCC1C(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699639	0	60	0.0	-69.98	428.43	5.05	-64.93
C[N@H+]1CCCCC1C(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699639	1	60	0.0	-70.37	428.93	5.15	-65.22
C[NH+](C)C1(C(=O)NCC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029699677	0	57	0.0	-77.55	408.93	4.88	-72.67
CC(C)(CNC(=O)CC[NH+]1CCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699678	0	60	0.0	-73.91	435.30	5.30	-68.61
C[N@@H+]1CC2CC1(C(=O)NCC(C)(C)C1CCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300029699689	0	58	0.0	-74.49	417.18	4.94	-69.55
C[N@H+]1CC2CC1(C(=O)NCC(C)(C)C1CCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300029699689	1	58	0.0	-77.39	417.90	4.67	-72.72
CC(C[NH+](C)C)C(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699725	0	59	0.0	-68.16	424.94	4.83	-63.33
CC(C(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CC(C)C1	REAL300029699748	1	60	0.0	-70.56	436.17	5.25	-65.31
CC1CC[N@@H+]1CC(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699749	1	57	0.0	-70.87	418.02	4.56	-66.31
CC1CC[N@H+]1CC(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699749	1	57	0.0	-72.04	418.33	4.65	-67.39
C[NH+](C)CC(O)CC(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699751	0	60	0.0	-77.87	439.40	2.60	-75.27
C[NH+](C)[C@H]1C[C@H](C(=O)NCC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029699781	0	60	0.0	-73.25	436.54	5.29	-67.96
CC(CC[NH+](C)C)C(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699782	0	62	0.0	-74.24	447.00	5.45	-68.79
CC(C)(CNC(=O)CSC(N)=[NH2+])C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699803	0	51	0.0	-74.83	395.50	0.44	-74.39
CCC1C[NH+](CC(=O)NCC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029699865	1	60	0.0	-73.92	439.64	5.42	-68.50
C[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699869	0	57	0.0	-69.13	412.48	4.41	-64.72
C[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699869	1	57	0.0	-71.52	406.73	4.00	-67.52
CC(C)(CNC(=O)C[NH+]1CCCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699876	0	60	0.0	-72.44	428.42	5.34	-67.10
CC1C(C(=O)NCC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300029699880	0	60	0.0	-74.95	424.53	4.82	-70.13
CC1C(C(=O)NCC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300029699880	1	60	0.0	-74.39	428.38	5.18	-69.21
C[N@@H+]1CCCC1C(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029700060	0	57	0.0	-67.76	408.22	4.26	-63.50
C[N@H+]1CCCC1C(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029700060	1	57	0.0	-66.68	411.77	4.55	-62.13
C[N@@H+]1CCOC(C(=O)N2CCC(C(C)(C)CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029700086	1	58	0.0	-73.82	415.81	3.78	-70.04
C[N@H+]1CCOC(C(=O)N2CCC(C(C)(C)CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029700086	1	58	0.0	-80.21	422.69	3.94	-76.27
C[N@@H+]1CCC(CC(=O)N2CCC(C(C)(C)CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029700237	0	60	0.0	-75.75	436.66	5.31	-70.44
C[N@H+]1CCC(CC(=O)N2CCC(C(C)(C)CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029700237	1	60	0.0	-72.02	436.54	5.37	-66.65
CCC(C(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029700240	0	59	0.0	-66.37	414.49	4.51	-61.86
C[NH+](C)CCCCC(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029700251	0	62	0.0	-72.53	455.22	5.89	-66.64
CC(C)C(C(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029700257	0	62	0.0	-66.92	431.03	5.11	-61.81
CCC[N@H+](C)CCC(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029700258	0	62	0.0	-72.21	451.45	5.73	-66.48
CCC[N@@H+](C)CCC(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029700258	1	62	0.0	-72.21	451.46	5.71	-66.50
CCC[N@H+](C)CC(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029700259	0	59	0.0	-73.30	429.12	5.10	-68.20
CCC[N@@H+](C)CC(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029700259	1	59	0.0	-69.76	429.08	5.12	-64.64
C[NH+](C)CC1(C(=O)N2CCC(C(C)(C)CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029700298	0	60	0.0	-70.88	437.80	5.24	-65.64
CC[N@H+](C)CCC(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029700305	0	59	0.0	-71.53	429.95	4.97	-66.56
CC[N@@H+](C)CCC(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029700305	1	59	0.0	-71.51	429.95	4.96	-66.55
C[NH+]1CCC(C(=O)N2CCC(C(C)(C)CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029700331	0	60	0.0	-73.47	434.20	5.28	-68.19
CC(C)[C@H](C(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029700346	0	62	0.0	-67.70	432.73	5.24	-62.46
C[NH+](C)C1(C(=O)N2CCC(C(C)(C)CNC(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300029700374	0	60	0.0	-69.96	414.18	4.59	-65.37
CC1CCC[N@@H+]1CC(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029700399	0	60	0.0	-66.81	434.48	5.47	-61.34
CC1CCC[N@H+]1CC(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029700399	1	60	0.0	-66.74	435.01	5.47	-61.27
CC(C)[C@@H](C(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029700413	0	62	0.0	-68.16	428.97	5.21	-62.95
CC1CC[N@H+](CC(=O)N2CCC(C(C)(C)CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029700421	0	60	0.0	-68.71	435.22	5.38	-63.33
CC1CC[N@@H+](CC(=O)N2CCC(C(C)(C)CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029700421	1	60	0.0	-68.82	435.57	5.44	-63.38
CC[C@@H](C(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029700424	0	59	0.0	-66.22	414.20	4.53	-61.69
CC1=[NH+]C=CN1CC(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029700466	1	55	0.0	-66.51	419.25	5.31	-61.20
CC1=C[NH+]=CN1CC(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029700485	1	55	0.0	-69.39	419.61	6.05	-63.34
C[C@@H]1[C@H](C(=O)N2CCC(C(C)(C)CNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300029700486	0	60	0.0	-71.48	425.92	4.95	-66.53
C[C@@H]1[C@H](C(=O)N2CCC(C(C)(C)CNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300029700486	1	60	0.0	-70.69	430.10	5.22	-65.47
C[N@H+](CC(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300029700519	0	60	0.0	-67.44	435.95	5.69	-61.75
C[N@@H+](CC(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300029700519	1	60	0.0	-67.83	436.08	5.69	-62.14
C[NH+]1CCC(C(=O)N2CCC(C(C)(C)CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029700526	0	60	0.0	-73.47	434.20	5.28	-68.19
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029700539	0	57	0.0	-67.77	408.28	4.25	-63.52
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029700539	1	57	0.0	-66.51	411.33	4.48	-62.03
C[N@@H+]1CCCCC1C(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029700583	0	60	0.0	-66.23	430.23	5.28	-60.95
C[N@H+]1CCCCC1C(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029700583	1	60	0.0	-69.12	422.52	4.92	-64.20
CC1C(C(=O)N2CCC(C(C)(C)CNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300029700612	0	60	0.0	-69.63	427.23	4.77	-64.86
CC1C(C(=O)N2CCC(C(C)(C)CNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300029700612	1	60	0.0	-69.05	427.10	4.77	-64.28
C[C@@H](C(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029700654	0	56	0.0	-68.00	406.57	4.10	-63.90
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC[NH+]2CCCC2)CC1	REAL300029700672	0	60	0.0	-70.95	438.19	5.48	-65.47
C[N@H+](CCO)CC(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029700677	1	57	0.0	-70.16	417.93	1.14	-69.02
C[N@@H+](CCO)CC(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029700677	1	57	0.0	-73.85	417.74	1.12	-72.73
CC1C[NH+](CC(=O)N2CCC(C(C)(C)CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029700728	1	57	0.0	-69.69	421.15	4.80	-64.89
CC[N@H+](C)CC(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029700763	0	56	0.0	-73.00	407.62	4.36	-68.64
CC[N@@H+](C)CC(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029700763	1	56	0.0	-69.30	407.58	4.38	-64.92
COCC[N@H+](C)CC(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029700816	1	60	0.0	-73.58	440.01	3.52	-70.06
COCC[N@@H+](C)CC(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029700816	1	60	0.0	-70.24	440.18	3.54	-66.70
CC(CCC(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029700818	0	62	0.0	-70.32	447.21	5.50	-64.82
CC[N@H+](CC(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029700823	0	60	0.0	-66.25	438.99	5.74	-60.51
CC[N@@H+](CC(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029700823	1	60	0.0	-67.83	431.20	5.62	-62.21
C[N@@H+]1CC2CC1(C(=O)N1CCC(C(C)(C)CNC(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300029700836	0	58	0.0	-69.02	416.90	4.76	-64.26
C[N@H+]1CC2CC1(C(=O)N1CCC(C(C)(C)CNC(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300029700836	1	58	0.0	-69.93	416.70	4.65	-65.28
CC(C[NH+](C)C)C(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029700845	0	59	0.0	-71.57	426.28	4.79	-66.78
C[NH+](C)C1(C(=O)N2CCC(C(C)(C)CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029700851	0	57	0.0	-71.87	412.08	4.47	-67.40
C[C@H](C(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029700862	0	56	0.0	-67.76	405.87	4.03	-63.73
CC[N@@H+]1CCC1C(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029700865	0	57	0.0	-67.90	411.54	4.27	-63.63
CC[N@H+]1CCC1C(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029700865	1	57	0.0	-67.47	411.61	4.24	-63.23
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=C[NH+]=CC=C2N)CC1	REAL300029700881	0	53	0.0	-70.15	400.78	1.61	-68.54
CCCC(C(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029700885	0	62	0.0	-67.69	439.44	5.39	-62.30
C[NH+](C)C(C)(C)C(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029700888	0	59	0.0	-70.04	410.20	4.16	-65.88
CC(CC[NH+](C)C)C(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029700897	0	62	0.0	-75.38	448.71	5.40	-69.98
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[NH+]2CC3CC3C2)CC1	REAL300029700960	0	58	0.0	-69.48	425.35	5.59	-63.89
C[N@@H+]1CCCCC1C(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029700971	0	60	0.0	-66.23	430.23	5.28	-60.95
C[N@H+]1CCCCC1C(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029700971	1	60	0.0	-69.12	422.52	4.92	-64.20
C[N@@H+]1CCC(=CC(=O)N2CCC(C(C)(C)CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029700999	0	58	0.0	-77.12	427.67	5.25	-71.87
C[N@H+]1CCC(=CC(=O)N2CCC(C(C)(C)CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029700999	1	58	0.0	-73.76	426.75	5.30	-68.46
CCC1C[NH+](CC(=O)N2CCC(C(C)(C)CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029701023	0	60	0.0	-70.72	442.30	5.51	-65.21
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029701028	0	57	0.0	-67.08	415.23	4.62	-62.46
C[N@H+]1CCC[C@H]1C(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029701028	1	57	0.0	-68.50	408.29	4.23	-64.27
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(C(C)(C)CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029701072	0	60	0.0	-71.41	438.97	5.45	-65.96
C[NH+](C)CCOCC(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029701090	0	60	0.0	-70.14	445.73	4.83	-65.31
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[NH+]2CCCCC2)CC1	REAL300029701125	0	60	0.0	-68.94	431.60	5.58	-63.36
C[N@@H+]1CCCC(C(=O)N2CCC(C(C)(C)CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029701126	0	60	0.0	-67.80	426.13	5.39	-62.41
C[N@H+]1CCCC(C(=O)N2CCC(C(C)(C)CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029701126	1	60	0.0	-67.79	426.05	5.39	-62.40
CN1C=C[N+](CC(=O)N2CCC(C(C)(C)CNC(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300029701127	0	55	0.0	-67.79	421.09	7.22	-60.57
C[N@H+](CC(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029701137	0	57	0.0	-66.79	419.12	5.09	-61.70
C[N@@H+](CC(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029701137	1	57	0.0	-67.29	419.28	5.12	-62.17
CC(CC(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300029701145	0	62	0.0	-71.98	447.04	5.77	-66.21
C[NH+]1CC(CC(=O)N2CCC(C(C)(C)CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029701196	0	57	0.0	-71.38	421.15	4.58	-66.80
C[NH+](C)CC(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029701203	0	53	0.0	-70.17	389.85	3.71	-66.46
C[N@H+](CCO)CCC(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029701213	0	60	0.0	-71.19	440.33	1.75	-69.44
C[N@@H+](CCO)CCC(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029701213	1	60	0.0	-71.07	440.26	1.75	-69.32
C[C@@H](C(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029701214	0	56	0.0	-68.00	406.57	4.10	-63.90
CC(C(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CC(C)C1	REAL300029701228	0	60	0.0	-70.94	438.36	5.19	-65.75
CC1CC[N@@H+]1CC(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029701229	0	57	0.0	-67.51	415.64	4.50	-63.01
CC1CC[N@H+]1CC(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029701229	1	57	0.0	-67.60	415.65	4.52	-63.08
C[NH+](C)CC=CC(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029701231	0	57	0.0	-78.24	424.75	4.93	-73.31
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1	REAL300029701235	1	60	0.0	-69.68	440.24	5.27	-64.41
CC[NH+](CC)CC(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029701252	0	59	0.0	-67.76	425.84	5.06	-62.70
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[NH+]2CCC2)CC1	REAL300029701257	1	54	0.0	-69.87	399.95	4.12	-65.75
CC[NH+](CC)CCC(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029701277	0	62	0.0	-70.85	443.46	5.39	-65.46
CC(C(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC1	REAL300029701308	0	57	0.0	-71.38	418.51	4.64	-66.74
C[NH+](C)CC(C)(C)C(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029701312	0	62	0.0	-70.74	429.50	5.08	-65.66
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029701333	0	60	0.0	-67.08	419.23	4.74	-62.34
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029701333	1	60	0.0	-65.63	429.16	5.22	-60.41
C[NH+](C)CC(O)CC(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029701343	0	60	0.0	-75.02	442.34	2.77	-72.25
C=CCC(C(=O)N1CCC(C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029701355	0	60	0.0	-67.84	433.62	5.25	-62.59
C[N@@H+]1CCCC1C(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029701556	0	54	0.0	-74.02	384.52	3.34	-70.68
C[N@H+]1CCCC1C(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029701556	1	54	0.0	-71.07	391.19	3.99	-67.08
CC(C)[N@@H+]1CCCC1C(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029701726	0	60	0.0	-67.05	412.05	4.85	-62.20
CC(C)[N@H+]1CCCC1C(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029701726	1	60	0.0	-69.38	423.82	5.03	-64.35
CC1=[NH+]C=CN1CC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029701753	1	52	0.0	-70.86	393.98	4.44	-66.42
CC(C)(NC(=O)C1C[NH+]2CCC1CC2)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029701774	0	58	0.0	-73.12	406.21	4.73	-68.39
C[C@@H]1[C@H](C(=O)NC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300029701803	0	57	0.0	-76.91	401.03	3.78	-73.13
C[C@@H]1[C@H](C(=O)NC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300029701803	1	57	0.0	-75.78	407.48	4.04	-71.74
CC[C@@H]1[C@@H](C(=O)NC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300029701805	0	60	0.0	-72.83	422.21	4.66	-68.17
CC[C@@H]1[C@@H](C(=O)NC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300029701805	1	60	0.0	-74.18	427.02	4.97	-69.21
CC[N@@H+]1CCOC(C(=O)NC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029701810	1	58	0.0	-76.71	412.94	3.73	-72.98
CC[N@H+]1CCOC(C(=O)NC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029701810	1	58	0.0	-82.85	420.05	3.88	-78.97
CC[NH+](CC)CC(F)C(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029701831	0	59	0.0	-69.96	424.22	4.66	-65.30
CC1CCC(C)[NH+]1CC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029701858	0	60	0.0	-70.05	422.34	4.80	-65.25
CC(C)(NC(=O)CCC[NH+]1CCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029701861	0	60	0.0	-73.98	434.68	5.47	-68.51
CC(C)(NC(=O)CC[NH+]1CCCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029701863	0	60	0.0	-74.83	428.39	5.33	-69.50
C[N@H+](CC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300029701898	0	57	0.0	-72.20	411.07	4.91	-67.29
C[N@@H+](CC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300029701898	1	57	0.0	-72.31	410.97	4.90	-67.41
C[N@@H+]1CCCC1CCC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029701960	0	60	0.0	-74.03	432.25	5.44	-68.59
C[N@H+]1CCCC1CCC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029701960	1	60	0.0	-70.80	426.79	4.94	-65.86
C[NH+]1CCC(C(=O)NC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029701973	0	57	0.0	-78.54	409.13	4.49	-74.05
CC(C)(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702048	0	52	0.0	-74.58	395.00	6.44	-68.14
CC(C)(NC(=O)CC[NH+]1CCOCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702054	1	58	0.0	-74.92	420.13	2.94	-71.98
CC1=C[NH+]=CN1CC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702065	1	52	0.0	-72.99	393.57	5.23	-67.76
C[N@@H+]1CCC(CC(=O)NC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029702088	0	57	0.0	-75.80	411.30	4.54	-71.26
C[N@H+]1CCC(CC(=O)NC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029702088	1	57	0.0	-75.63	410.73	4.53	-71.10
CCC(C(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029702095	0	56	0.0	-70.59	398.02	4.07	-66.52
CC(C)(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702115	1	52	0.0	-75.65	395.26	6.43	-69.22
C[NH+](C)CCCCC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702140	0	59	0.0	-73.19	430.23	5.08	-68.11
CCC[N@H+](C)CCC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702151	0	59	0.0	-76.04	426.45	4.89	-71.15
CCC[N@@H+](C)CCC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702151	1	59	0.0	-73.07	426.46	4.89	-68.18
CCC[N@H+](C)CC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702153	0	56	0.0	-74.36	404.07	4.35	-70.01
CCC[N@@H+](C)CC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702153	1	56	0.0	-74.27	404.07	4.34	-69.93
CC(C)(NC(=O)C12CC[N@H+](C1)CCC2)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702164	0	58	0.0	-72.37	406.27	4.03	-68.34
CC(C)(NC(=O)C12CC[N@@H+](C1)CCC2)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702164	1	58	0.0	-71.34	406.29	4.05	-67.29
C[N@@H+]1CCC[C@@H]1C(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702187	0	54	0.0	-68.58	384.46	3.33	-65.25
C[N@H+]1CCC[C@@H]1C(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702187	1	54	0.0	-67.84	389.59	3.83	-64.01
CC[NH+](CC)CC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702215	0	56	0.0	-69.77	400.92	4.30	-65.47
CC1CC[NH+](CC(=O)NC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029702265	0	60	0.0	-74.66	427.41	5.40	-69.26
C[NH+](C)CC1(C(=O)NC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029702280	0	57	0.0	-74.72	415.91	4.52	-70.20
C[NH+]1CCC(C(=O)NC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029702322	0	57	0.0	-78.54	409.13	4.49	-74.05
CCC(C(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](CC)CC	REAL300029702349	0	62	0.0	-65.21	428.95	5.27	-59.94
CC[N@H+](C)CCC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702380	0	56	0.0	-75.31	404.94	4.14	-71.17
CC[N@@H+](C)CCC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702380	1	56	0.0	-75.32	404.94	4.14	-71.18
CC1CCC[N@@H+]1CC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702403	0	57	0.0	-68.00	410.52	4.46	-63.54
CC1CCC[N@H+]1CC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702403	1	57	0.0	-68.19	409.22	4.58	-63.61
CC1CC[N@H+](CC(=O)NC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029702404	0	57	0.0	-70.49	410.92	4.67	-65.82
CC1CC[N@@H+](CC(=O)NC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029702404	1	57	0.0	-70.44	410.51	4.52	-65.92
CC(C)(NC(=O)C[N@@H+]1CCC(C)(C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702407	0	60	0.0	-70.67	430.40	5.18	-65.49
CC(C)(NC(=O)C[N@H+]1CCC(C)(C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702407	1	60	0.0	-70.47	430.08	5.17	-65.30
C[N@H+](CC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300029702408	0	62	0.0	-74.44	432.46	5.24	-69.20
C[N@@H+](CC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300029702408	1	62	0.0	-73.96	434.71	5.36	-68.60
CC[C@@H](C(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029702415	0	56	0.0	-70.68	394.70	3.88	-66.80
C[NH+](C)CC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702497	0	50	0.0	-71.66	364.87	2.93	-68.73
CC(C)(NC(=O)C[NH+]1CCCCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702500	0	60	0.0	-73.54	416.17	4.96	-68.58
CN1C=C[N+](CC(=O)NC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300029702503	0	52	0.0	-71.87	396.08	6.44	-65.43
C[N@@H+]1CCCC(C(=O)NC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029702506	0	57	0.0	-68.14	403.19	4.76	-63.38
C[N@H+]1CCCC(C(=O)NC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029702506	1	57	0.0	-66.49	403.20	4.76	-61.73
CC(C)(NC(=O)C1CCC[N@@H+]1C1CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702510	0	58	0.0	-72.70	416.89	4.80	-67.90
CC(C)(NC(=O)C1CCC[N@H+]1C1CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702510	1	58	0.0	-65.88	417.17	5.18	-60.70
CC(C(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC1	REAL300029702523	1	54	0.0	-69.01	393.15	4.02	-64.99
CCC(CC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300029702527	0	62	0.0	-69.38	440.47	5.51	-63.87
CC(C)(NC(=O)C[NH+]1CCC(O)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702542	1	58	0.0	-78.55	417.79	1.34	-77.21
C[N@H+](CC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029702543	0	54	0.0	-71.34	394.11	4.33	-67.01
C[N@@H+](CC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029702543	1	54	0.0	-71.82	394.25	4.34	-67.48
C[NH+]1CC(CC(=O)NC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029702555	0	54	0.0	-71.12	396.31	3.76	-67.36
CC(C)(C)[N@@H+]1CCC1C(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702565	0	60	0.0	-70.90	426.14	4.52	-66.38
CC(C)(C)[N@H+]1CCC1C(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702565	1	60	0.0	-69.77	404.06	4.12	-65.65
C[C@@H](C(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029702576	0	53	0.0	-70.19	382.76	3.34	-66.85
CC(C)(NC(=O)CN1C=CSC1=[NH2+])C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702625	0	50	0.0	-70.49	391.93	3.10	-67.39
C[N@H+](CCO)CCC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702630	0	57	0.0	-72.53	415.32	0.92	-71.61
C[N@@H+](CCO)CCC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702630	1	57	0.0	-74.76	415.35	0.87	-73.89
C[C@@H](C(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029702631	0	53	0.0	-70.19	382.76	3.34	-66.85
C[N@@H+]1CCCC[C@@H]1C(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702635	0	57	0.0	-71.75	397.14	4.39	-67.36
C[N@H+]1CCCC[C@@H]1C(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702635	1	57	0.0	-66.93	407.08	4.52	-62.41
CC(C)(NC(=O)C[NH+]1CCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702680	1	51	0.0	-74.35	375.15	3.40	-70.95
C[N@@H+]1CCC(=CC(=O)NC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029702694	0	55	0.0	-76.38	403.69	4.49	-71.89
C[N@H+]1CCC(=CC(=O)NC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029702694	1	55	0.0	-73.77	403.70	4.49	-69.28
C[NH+](C)CCOCC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702712	0	57	0.0	-71.91	420.75	3.83	-68.08
C=CCC(C)(C(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029702724	0	60	0.0	-65.51	419.64	4.90	-60.61
CC1CN(CC(=O)NC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029702758	0	54	0.0	-74.24	396.12	4.02	-70.22
CC1C[NH+](CC(=O)NC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029702758	1	54	0.0	-74.24	396.12	4.02	-70.22
CN(CCO)CC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702775	0	54	0.0	-74.76	392.63	0.25	-74.51
C[N@H+](CCO)CC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702775	1	54	0.0	-74.76	393.00	0.33	-74.43
C[N@@H+](CCO)CC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702775	1	54	0.0	-74.76	393.00	0.33	-74.43
CC[N@@H+]1CCCC(C(=O)NC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029702792	0	60	0.0	-67.08	420.85	5.41	-61.67
CC[N@H+]1CCCC(C(=O)NC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029702792	1	60	0.0	-67.08	420.85	5.41	-61.67
CC(CC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300029702794	0	59	0.0	-75.92	422.01	4.93	-70.99
CC[N@H+](C)CC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702798	0	53	0.0	-73.85	382.58	3.59	-70.26
CC[N@H+](CC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029702827	0	57	0.0	-72.60	406.36	4.83	-67.77
CC[NH+](CC)CCC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702836	0	59	0.0	-71.81	418.55	4.56	-67.25
CC(C)(NC(=O)C[NH+]1CC(C)(C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702853	1	57	0.0	-71.30	415.44	4.54	-66.76
CC(C)(NC(=O)C[N@@H+]1CCC(C)(O)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702869	0	58	0.0	-71.98	421.39	1.35	-70.63
CC(C)(NC(=O)C[N@H+]1CCC(C)(O)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702869	1	58	0.0	-70.62	420.42	1.21	-69.41
C[NH+](C)CC=CC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702871	0	54	0.0	-74.21	400.81	4.16	-70.05
CC(OCC[NH+](C)C)C(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702877	0	60	0.0	-71.71	439.73	4.60	-67.11
C[NH+](C)CCOCCC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702883	0	60	0.0	-70.68	441.69	3.73	-66.95
COCC[N@H+](C)CC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702884	1	57	0.0	-74.55	415.26	2.74	-71.81
COCC[N@@H+](C)CC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702884	1	57	0.0	-74.99	414.88	2.66	-72.33
CC(CCC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029702901	0	59	0.0	-72.66	417.48	4.58	-68.08
CC[N@@H+]1CCC1C(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702907	1	54	0.0	-73.67	396.13	3.78	-69.89
CC[N@H+]1CCC1C(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702907	1	54	0.0	-70.16	396.27	3.80	-66.36
CC(C)(NC(=O)C[N@@H+]1CCCC1CO)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702918	0	58	0.0	-70.48	414.65	1.03	-69.45
CC(C)(NC(=O)C[N@H+]1CCCC1CO)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702918	1	58	0.0	-73.84	419.57	1.59	-72.25
C=CCC(C(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029702950	0	57	0.0	-67.01	408.07	4.38	-62.63
C[N@@H+]1CC(C)(C)CC1C(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702954	0	60	0.0	-71.00	423.11	4.51	-66.49
C[N@H+]1CC(C)(C)CC1C(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702954	1	60	0.0	-68.90	430.58	5.02	-63.88
C[NH+](C)CCCCCC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702956	0	62	0.0	-72.76	451.73	5.86	-66.90
CC(C)(NC(=O)C[NH+]1CC2CC2C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702961	0	55	0.0	-74.37	400.19	4.81	-69.56
CCCC(C(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029702975	0	59	0.0	-71.44	419.48	4.85	-66.59
C[N@@H+]1CCCCC1C(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702998	0	57	0.0	-66.94	407.11	4.47	-62.47
C[N@H+]1CCCCC1C(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029702998	1	57	0.0	-69.28	397.27	4.25	-65.03
C[N@H+]1CC=C(CC(=O)NC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029703018	0	58	0.0	-72.28	423.99	5.25	-67.03
C[N@@H+]1CC=C(CC(=O)NC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029703018	1	58	0.0	-69.24	423.62	5.10	-64.14
CC(C)(NC(=O)C=CC[NH+]1CCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029703047	0	58	0.0	-76.05	425.39	5.21	-70.84
CC(C)(NC(=O)CC[NH+]1CCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029703073	0	57	0.0	-74.66	413.18	4.66	-70.00
CC(C)(NC(=O)C1C[NH+]2CCN1CC2)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029703093	0	57	0.0	-80.16	400.94	1.31	-78.85
CC(C)(NC(=O)C[N@@H+]1CC2CCC1C2)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029703102	0	58	0.0	-68.97	411.21	4.91	-64.06
CC(C)(NC(=O)C[N@H+]1CC2CCC1C2)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029703102	1	58	0.0	-71.39	408.47	4.74	-66.65
CC(C)(NC(=O)C[N@@H+]1CC2C=CC1C2)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029703136	1	56	0.0	-69.21	403.91	4.79	-64.42
CC(C)(NC(=O)C[N@H+]1CC2C=CC1C2)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029703136	1	56	0.0	-67.30	403.98	4.70	-62.60
CC(C[NH+](C)C)C(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029703160	0	56	0.0	-72.33	403.27	4.20	-68.13
C[N@@H+]1CCCCC1CC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029703199	0	60	0.0	-76.50	423.38	5.02	-71.48
C[N@H+]1CCCCC1CC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029703199	1	60	0.0	-68.08	416.61	4.99	-63.09
CC(C(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CC(C)C1	REAL300029703208	1	57	0.0	-68.14	413.59	4.58	-63.56
CC1CC[N@@H+]1CC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029703210	1	54	0.0	-69.59	396.18	4.01	-65.58
CC1CC[N@H+]1CC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029703210	1	54	0.0	-72.89	396.20	4.02	-68.87
C[NH+](C)CC(O)CC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029703212	0	57	0.0	-75.31	417.48	1.86	-73.45
CC1C[N@H+](C)CC(C(=O)NC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300029703227	1	58	0.0	-83.71	415.92	3.42	-80.29
CC1C[N@@H+](C)CC(C(=O)NC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300029703227	1	58	0.0	-83.05	423.18	3.87	-79.18
C[NH+](C)[C@H]1C[C@H](C(=O)NC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029703265	0	57	0.0	-74.79	414.47	4.65	-70.14
CC(CC[NH+](C)C)C(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029703270	0	59	0.0	-72.34	424.90	4.82	-67.52
C[NH+]1CCN(CC(=O)NC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029703284	1	59	0.0	-71.87	423.87	2.43	-69.44
CC(C)(NC(=O)CSC(N)=[NH2+])C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029703305	0	48	0.0	-72.79	373.39	-0.20	-72.99
C[N@@H+]1CC=CCC1CC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029703328	0	58	0.0	-77.17	416.19	4.97	-72.20
C[N@H+]1CC=CCC1CC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029703328	1	58	0.0	-68.59	411.04	4.93	-63.66
C[C@@H](OCC[NH+](C)C)C(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029703340	0	60	0.0	-68.35	440.49	4.52	-63.83
C[N@@H+]1CCC[C@H]1C(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029703404	0	54	0.0	-68.67	384.56	3.46	-65.21
CC(C)(NC(=O)CC[N@@H+]1CCC(F)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029703410	0	57	0.0	-76.82	418.81	4.64	-72.18
CC1C(C(=O)NC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300029703428	0	57	0.0	-73.34	410.20	4.44	-68.90
CC1C(C(=O)NC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300029703428	1	57	0.0	-73.34	410.20	4.44	-68.90
CN1CCOCC1CC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029703455	0	58	0.0	-70.15	407.98	2.60	-67.55
C[N@@H+]1CCOCC1CC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029703455	1	58	0.0	-71.36	407.99	2.61	-68.75
C[N@H+]1CCOCC1CC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029703455	1	58	0.0	-71.36	407.99	2.61	-68.75
C[N@@H+]1CCCC1C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029703622	0	54	0.0	-67.70	393.03	3.97	-63.73
C[N@H+]1CCCC1C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029703622	1	54	0.0	-67.70	393.03	3.97	-63.73
CN1CCOC(C(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029703648	0	55	0.0	-74.30	393.65	3.13	-71.17
C[N@@H+]1CCOC(C(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029703648	1	55	0.0	-80.17	400.58	3.31	-76.86
C[N@H+]1CCOC(C(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029703648	1	55	0.0	-80.17	400.58	3.31	-76.86
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCN2CCOCC2)CC1	REAL300029703799	0	58	0.0	-74.55	422.95	3.11	-71.44
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC[NH+]2CCOCC2)CC1	REAL300029703799	1	58	0.0	-74.55	422.95	3.11	-71.44
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1	REAL300029703809	0	58	0.0	-65.04	404.26	4.36	-60.68
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC3=CN=CN3C=C2)CC1	REAL300029703815	0	52	0.0	-73.35	402.33	6.43	-66.92
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC1	REAL300029703815	1	52	0.0	-73.35	402.33	6.43	-66.92
C[N@@H+]1CCC(CC(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029703841	0	57	0.0	-72.19	414.41	4.73	-67.46
C[N@H+]1CCC(CC(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029703841	1	57	0.0	-72.19	414.41	4.73	-67.46
CCC(C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029703848	0	56	0.0	-67.63	395.81	3.98	-63.65
C[NH+](C)CCCCC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029703883	0	59	0.0	-72.60	433.09	5.25	-67.35
CC(C)C(C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029703897	0	59	0.0	-68.96	407.14	4.57	-64.39
CCC[N@H+](C)CCC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029703898	0	59	0.0	-72.53	429.32	5.07	-67.46
CCC[N@@H+](C)CCC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029703898	1	59	0.0	-72.52	429.32	5.08	-67.44
CCC[N@H+](C)CC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029703901	0	56	0.0	-70.36	406.95	4.48	-65.88
CCC[N@@H+](C)CC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029703901	1	56	0.0	-70.37	406.91	4.47	-65.90
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C23CC[N@H+](C2)CCC3)CC1	REAL300029703915	0	58	0.0	-71.20	402.08	3.94	-67.26
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1	REAL300029703915	1	58	0.0	-75.88	398.16	3.78	-72.10
CC1CC[NH+](CC(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029703948	0	60	0.0	-70.40	430.30	5.56	-64.84
C[NH+](C)CC1(C(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029703987	0	57	0.0	-71.22	415.67	4.61	-66.61
CC[N@H+](C)CCC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029704006	0	56	0.0	-71.85	407.82	4.34	-67.51
CC[N@@H+](C)CCC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029704006	1	56	0.0	-71.80	407.82	4.34	-67.46
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2C[NH+]3CCC2CC3)CC1	REAL300029704019	0	58	0.0	-75.74	405.26	4.60	-71.14
C[NH+]1CCC(C(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029704066	0	57	0.0	-73.40	411.83	4.63	-68.77
CC(C)[C@H](C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029704082	0	59	0.0	-68.13	410.60	4.59	-63.54
CC[NH+](CC)CC(F)C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029704135	0	59	0.0	-70.53	425.67	4.79	-65.74
C[NH+](C)C1(C(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300029704153	0	57	0.0	-76.41	392.62	3.91	-72.50
CCC(C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](CC)CC	REAL300029704181	0	62	0.0	-63.83	429.84	5.18	-58.65
CC1CCC[N@@H+]1CC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029704191	0	57	0.0	-67.53	412.27	4.82	-62.71
CC1CCC[N@H+]1CC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029704191	1	57	0.0	-67.47	412.90	4.85	-62.62
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029704229	0	60	0.0	-69.15	426.79	4.98	-64.17
CC(C)[N@H+]1CCCC1C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029704229	1	60	0.0	-65.38	422.95	4.96	-60.42
CC(C)[C@@H](C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029704236	0	59	0.0	-68.68	407.11	4.71	-63.97
CC1CC[N@H+](CC(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029704249	0	57	0.0	-69.39	413.08	4.75	-64.64
CC1CC[N@@H+](CC(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029704249	1	57	0.0	-69.53	413.44	4.81	-64.72
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1	REAL300029704253	0	60	0.0	-69.32	432.56	5.29	-64.03
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1	REAL300029704253	1	60	0.0	-69.35	432.74	5.32	-64.03
C[N@H+](CC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300029704254	0	62	0.0	-70.16	435.56	5.47	-64.69
C[N@@H+](CC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300029704254	1	62	0.0	-69.83	437.47	5.61	-64.22
CC[C@@H](C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029704262	0	56	0.0	-68.68	398.18	4.12	-64.56
CC1=[NH+]C=CN1CC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029704367	1	52	0.0	-67.15	397.11	4.67	-62.48
CC[N@@H+]1CCOC(C(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029704422	1	58	0.0	-76.52	418.34	3.97	-72.55
CC[N@H+]1CCOC(C(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029704422	1	58	0.0	-73.17	411.44	3.77	-69.40
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC1	REAL300029704451	0	52	0.0	-72.43	402.22	6.39	-66.04
CC1=C[NH+]=CN1CC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029704454	1	52	0.0	-70.03	397.48	5.41	-64.62
C[C@@H]1[C@H](C(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300029704460	0	57	0.0	-71.86	403.78	4.31	-67.55
C[C@@H]1[C@H](C(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300029704460	1	57	0.0	-70.98	407.96	4.59	-66.39
CC[C@@H]1[C@@H](C(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300029704462	0	60	0.0	-76.28	425.34	4.72	-71.56
CC[C@@H]1[C@@H](C(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300029704462	1	60	0.0	-70.02	424.77	5.07	-64.95
CC1CCC(C)[NH+]1CC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029704469	0	60	0.0	-66.46	424.85	5.07	-61.39
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1	REAL300029704472	0	60	0.0	-70.90	437.55	5.65	-65.25
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1	REAL300029704476	0	60	0.0	-71.24	431.73	5.55	-65.69
CC[N@@H+]1CCCCC1C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029704479	0	60	0.0	-66.26	414.89	4.84	-61.42
CC[N@H+]1CCCCC1C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029704479	1	60	0.0	-72.74	417.94	4.93	-67.81
C[N@H+](CC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300029704570	0	57	0.0	-68.11	413.82	5.05	-63.06
C[N@@H+](CC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300029704570	1	57	0.0	-68.47	413.96	5.06	-63.41
C[NH+]1CCC(C(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029704598	0	57	0.0	-73.40	411.83	4.63	-68.77
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029704626	0	54	0.0	-68.26	386.14	3.61	-64.65
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029704626	1	54	0.0	-67.08	389.19	3.84	-63.24
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029704643	1	56	0.0	-67.34	412.97	4.83	-62.51
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029704643	1	56	0.0	-67.78	416.20	5.18	-62.60
C[N@@H+]1CCCC1CCC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029704648	0	60	0.0	-72.96	435.10	5.61	-67.35
C[N@H+]1CCCC1CCC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029704648	1	60	0.0	-70.17	429.67	5.14	-65.03
C[N@@H+]1CCCCC1C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029704717	0	57	0.0	-66.84	408.10	4.64	-62.20
C[N@H+]1CCCCC1C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029704717	1	57	0.0	-67.64	397.05	4.10	-63.54
CC1C(C(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300029704772	0	57	0.0	-71.03	410.00	4.32	-66.71
CC1C(C(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300029704772	1	57	0.0	-69.82	405.21	4.13	-65.69
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029704826	0	60	0.0	-72.12	406.68	4.09	-68.03
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029704826	1	60	0.0	-67.00	410.23	4.00	-63.00
C[C@@H](C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029704840	0	53	0.0	-68.27	384.13	3.44	-64.83
C=CCC(C)(C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029704854	0	60	0.0	-67.90	411.60	4.47	-63.43
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC[NH+]2CCCC2)CC1	REAL300029704869	0	57	0.0	-71.19	416.06	4.85	-66.34
C[N@H+](CCO)CC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029704878	1	54	0.0	-71.03	395.80	0.50	-70.53
C[N@@H+](CCO)CC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029704878	1	54	0.0	-70.47	395.59	0.50	-69.97
C[N@H+]1CC=C(CC(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029704931	0	58	0.0	-70.23	426.83	5.43	-64.80
C[N@@H+]1CC=C(CC(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029704931	1	58	0.0	-68.96	426.85	5.43	-63.53
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029704952	0	58	0.0	-72.52	408.68	0.47	-72.05
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029704952	1	58	0.0	-66.85	404.36	0.14	-66.71
CC1C[NH+](CC(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029704980	1	54	0.0	-70.33	399.01	4.16	-66.17
CC[N@@H+]1CCCC(C(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029704986	0	60	0.0	-69.87	429.49	5.25	-64.62
CC[N@H+]1CCCC(C(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029704986	1	60	0.0	-69.85	429.56	5.26	-64.59
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2=CC=C[NH+]=C2N)CC1	REAL300029704990	0	53	0.0	-67.02	401.96	2.92	-64.10
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1	REAL300029704997	0	58	0.0	-73.62	418.06	5.02	-68.60
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCC[N@H+]2C2CC2)CC1	REAL300029704997	1	58	0.0	-65.17	415.93	5.22	-59.95
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C=CC[NH+]2CCCC2)CC1	REAL300029705023	0	58	0.0	-73.39	427.24	5.38	-68.01
CC[N@H+](C)CC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029705066	0	53	0.0	-70.02	385.45	3.73	-66.29
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CN2CC3C=CC2C3)CC1	REAL300029705099	0	56	0.0	-66.55	406.68	4.94	-61.61
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@@H+]2CC3C=CC2C3)CC1	REAL300029705099	1	56	0.0	-68.25	406.88	5.03	-63.22
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@H+]2CC3C=CC2C3)CC1	REAL300029705099	1	56	0.0	-68.25	406.88	5.03	-63.22
CC(OCC[NH+](C)C)C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029705179	0	60	0.0	-75.13	439.26	4.65	-70.48
C[NH+](C)CCOCCC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029705186	0	60	0.0	-70.52	444.54	3.91	-66.61
COCCN(C)CC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029705188	0	57	0.0	-70.11	417.84	2.90	-67.21
COCC[N@H+](C)CC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029705188	1	57	0.0	-71.19	418.06	2.91	-68.28
COCC[N@@H+](C)CC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029705188	1	57	0.0	-71.19	418.06	2.91	-68.28
CC(CCC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029705191	0	59	0.0	-70.33	425.08	4.86	-65.47
CC[N@H+](CC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029705206	0	57	0.0	-67.29	414.10	5.10	-62.19
C[N@@H+]1CC2CC1(C(=O)N1CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300029705232	0	55	0.0	-69.01	394.74	3.98	-65.03
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@@H+]2CC3CCC2C3)CC1	REAL300029705241	0	58	0.0	-67.25	412.18	4.98	-62.27
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@H+]2CC3CCC2C3)CC1	REAL300029705241	1	58	0.0	-67.25	412.18	4.98	-62.27
CC(C[NH+](C)C)C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029705255	0	56	0.0	-71.83	404.16	4.14	-67.69
CC[N@@H+]1CCC1C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029705290	0	54	0.0	-67.73	390.86	3.70	-64.03
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029705299	0	62	0.0	-67.07	431.05	3.49	-63.58
CCCC(C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029705333	0	59	0.0	-68.51	417.31	4.76	-63.75
C[NH+](C)C(C)(C)C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029705337	0	56	0.0	-70.20	388.07	3.54	-66.66
CC(CC[NH+](C)C)C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029705350	0	59	0.0	-76.30	426.58	4.78	-71.52
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029705404	0	60	0.0	-72.58	425.36	5.31	-67.27
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029705404	1	60	0.0	-72.58	425.36	5.31	-67.27
C[NH+](C)CCCCCC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029705406	0	62	0.0	-72.07	454.59	6.03	-66.04
CN1CCN(CC(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029705413	0	59	0.0	-71.09	426.76	2.56	-68.53
C[NH+]1CCN(CC(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029705413	1	59	0.0	-71.09	426.76	2.56	-68.53
CC1CN(C)CC(C(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300029705463	0	58	0.0	-79.39	415.04	4.04	-75.35
CC1C[N@H+](C)CC(C(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300029705463	1	58	0.0	-74.76	414.86	3.88	-70.88
CC1C[N@@H+](C)CC(C(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300029705463	1	58	0.0	-74.76	414.86	3.88	-70.88
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[NH+]2CC3CC3C2)CC1	REAL300029705492	0	55	0.0	-70.09	403.19	4.96	-65.13
C[N@@H+]1CCCCC1C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029705516	0	57	0.0	-67.64	397.05	4.10	-63.54
C[N@@H+]1CCC(=CC(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029705583	0	55	0.0	-74.22	404.69	4.68	-69.54
C[N@H+]1CCC(=CC(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029705583	1	55	0.0	-74.22	404.69	4.68	-69.54
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CNC2=CC=[NH+]C=C2)CC1	REAL300029705586	0	53	0.0	-69.70	403.44	2.34	-67.36
C[NH+](C)C1(C(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)CCCC1	REAL300029705640	0	60	0.0	-70.20	403.95	4.64	-65.56
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029705659	0	54	0.0	-69.16	386.34	3.60	-65.56
C[N@H+]1CCC[C@H]1C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029705659	1	54	0.0	-69.16	386.34	3.60	-65.56
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029705749	0	57	0.0	-70.62	416.63	4.78	-65.84
C[NH+](C)CCC1(C(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029705758	0	60	0.0	-71.20	439.38	5.45	-65.75
C[N@@H+]1CC=CCC1CC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029705759	0	58	0.0	-64.56	413.89	5.12	-59.44
C[N@H+]1CC=CCC1CC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029705759	1	58	0.0	-64.56	413.89	5.12	-59.44
C[NH+](C)CCOCC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029705792	0	57	0.0	-70.42	423.60	4.19	-66.23
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CN2C=CSC2=[NH2+])CC1	REAL300029705818	0	50	0.0	-66.70	394.79	3.25	-63.45
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029705854	0	60	0.0	-68.61	438.92	4.62	-63.99
C[N@@H+]1CCCC(C(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029705882	0	57	0.0	-68.47	403.92	4.75	-63.72
C[N@H+]1CCCC(C(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029705882	1	57	0.0	-68.47	403.92	4.75	-63.72
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[NH+]2CCCCCC2)CC1	REAL300029705883	0	60	0.0	-69.34	418.80	5.12	-64.22
CN1C=C[N+](CC(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300029705886	0	52	0.0	-68.39	398.95	6.58	-61.81
C[N@H+](CC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029705907	0	54	0.0	-68.05	397.14	4.48	-63.57
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC[N@@H+]2CCC(F)C2)CC1	REAL300029705910	0	57	0.0	-73.78	422.32	4.92	-68.86
CC(CC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300029705930	0	59	0.0	-72.18	425.01	5.15	-67.03
CN1CCOCC1CC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029705949	0	58	0.0	-75.95	418.21	2.91	-73.04
C[N@@H+]1CCOCC1CC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029705949	1	58	0.0	-67.91	410.82	2.77	-65.14
C[N@H+]1CCOCC1CC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029705949	1	58	0.0	-67.91	410.82	2.77	-65.14
CC1=CC(N)=NC=C1C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029705988	0	53	0.0	-69.88	398.68	2.33	-67.55
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029705988	1	53	0.0	-69.88	398.68	2.33	-67.55
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@@H+]2CCC(C)(O)C2)CC1	REAL300029706017	0	58	0.0	-69.63	423.58	1.47	-68.16
C[NH+]1CC(CC(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029706043	0	54	0.0	-71.73	399.01	3.94	-67.79
C[N@H+](CCO)CCC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029706068	0	57	0.0	-71.39	418.13	1.11	-70.28
C[N@@H+](CCO)CCC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029706068	1	57	0.0	-71.39	418.13	1.11	-70.28
C[N@@H+]1CCCCC1CC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029706084	0	60	0.0	-64.03	419.46	5.18	-58.85
C[N@H+]1CCCCC1CC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029706084	1	60	0.0	-64.03	419.46	5.18	-58.85
CC1CC[N@@H+]1CC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029706097	0	54	0.0	-68.15	393.47	3.87	-64.28
C[NH+](C)CC=CC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029706103	0	54	0.0	-79.26	402.61	4.29	-74.97
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CN2CC(C)(C)C2)CC1	REAL300029706109	0	57	0.0	-70.29	418.27	4.68	-65.61
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1	REAL300029706109	1	57	0.0	-70.29	418.27	4.68	-65.61
C[NH+](C)CCSCC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029706128	0	57	0.0	-75.26	434.62	5.10	-70.16
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@@H+]2CCCC2CO)CC1	REAL300029706145	0	58	0.0	-66.47	413.60	1.62	-64.85
CC[NH+](CC)CC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029706149	0	56	0.0	-68.43	403.71	4.42	-64.01
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CN2CCC2)CC1	REAL300029706158	0	51	0.0	-70.55	377.78	3.47	-67.08
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[NH+]2CCC2)CC1	REAL300029706158	1	51	0.0	-70.55	377.78	3.47	-67.08
CC[NH+](CC)CCC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029706188	0	59	0.0	-70.82	425.68	5.04	-65.78
CCC(CC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300029706249	0	62	0.0	-75.42	442.55	5.75	-69.67
C[NH+](C)CC(C)(C)C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029706255	0	59	0.0	-70.02	398.69	4.51	-65.51
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029706289	0	57	0.0	-66.92	408.18	4.64	-62.28
C[NH+](C)CC(O)CC(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029706311	0	57	0.0	-75.15	420.33	2.14	-73.01
C=CCC(C(=O)N1CCC(C(C)(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029706332	0	57	0.0	-68.31	411.47	4.60	-63.71
C[NH+]1CCC(C)(C(=O)N2CCC(C(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029706344	0	60	0.0	-69.06	415.38	4.55	-64.51
C[NH+](C)CCSCC(=O)NC(C)(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029706400	0	57	0.0	-76.12	431.76	4.86	-71.26
C[N@@H+]1CCCC1C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029706559	0	49	0.0	-63.27	363.69	3.12	-60.15
CC(C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+]1CCCCCC1	REAL300029706748	0	58	0.0	-64.88	409.50	4.84	-60.04
CC(C)[N@@H+]1CCCC1C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029706767	0	55	0.0	-61.48	393.08	4.82	-56.66
CC(C)[N@H+]1CCCC1C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029706767	1	55	0.0	-61.48	393.08	4.82	-56.66
O=C(NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CC2CCCC[N@@H+]2C1	REAL300029706781	0	56	0.0	-63.86	411.77	5.31	-58.55
O=C(NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CC2CCCC[N@H+]2C1	REAL300029706781	1	56	0.0	-63.86	411.77	5.31	-58.55
CC(C)C1=NC=CN1CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029706801	0	53	0.0	-61.32	407.42	5.32	-56.00
CC(C)C1=[NH+]C=CN1CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029706801	1	53	0.0	-61.32	407.42	5.32	-56.00
CC1=NC=CN1CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029706831	0	47	0.0	-63.05	368.60	4.04	-59.01
CC1=[NH+]C=CN1CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029706831	1	47	0.0	-63.05	368.60	4.04	-59.01
CC(CN1CCOCC1)C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029706833	0	56	0.0	-70.92	411.90	3.19	-67.73
CC(C[NH+]1CCOCC1)C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029706833	1	56	0.0	-70.92	411.90	3.19	-67.73
O=C(CCC[NH+]1CCCCC1)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029706847	0	58	0.0	-69.59	424.23	5.64	-63.95
O=C(NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1C[NH+]2CCC1CC2	REAL300029706873	0	53	0.0	-66.73	383.11	4.33	-62.40
O=C(NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CCCC2CCC[N@@H+]21	REAL300029706914	0	56	0.0	-59.52	406.71	5.44	-54.08
O=C(NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CCCC2CCC[N@H+]21	REAL300029706914	1	56	0.0	-59.38	409.62	5.46	-53.92
C[C@@H]1[C@H](C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)CC[N@@H+]1C	REAL300029706928	0	52	0.0	-68.34	381.88	3.79	-64.55
C[C@@H]1[C@H](C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)CC[N@H+]1C	REAL300029706928	1	52	0.0	-69.54	382.41	4.05	-65.49
CC[C@@H]1[C@@H](C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)CC[N@@H+]1C	REAL300029706932	0	55	0.0	-66.98	399.38	4.26	-62.72
CC[C@@H]1[C@@H](C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)CC[N@H+]1C	REAL300029706932	1	55	0.0	-66.38	408.33	4.66	-61.72
CC[N@@H+]1CCOC(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029706944	1	53	0.0	-86.46	394.31	3.43	-83.03
CC[N@H+]1CCOC(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029706944	1	53	0.0	-68.71	396.25	3.57	-65.14
CC[NH+](CC)CC(F)C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029706980	0	54	0.0	-66.55	400.54	4.25	-62.30
CC1CCC(C)[NH+]1CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029707041	0	55	0.0	-65.83	397.24	4.48	-61.35
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C[NH+](C)CC1=CC=CC(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)=C1	REAL300029707048	0	55	0.0	-71.59	419.67	6.06	-65.53
C#CC[NH+]1CCC(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300029707052	0	54	0.0	-69.33	410.50	5.36	-63.97
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CC(C)C[N@@H+]1CCC(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029707075	0	58	0.0	-66.33	429.11	5.55	-60.78
CC(C)C[N@H+]1CCC(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029707075	1	58	0.0	-66.12	429.89	5.56	-60.56
CC(C)[N@@H+]1CCCC1CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029707080	0	58	0.0	-59.56	418.17	4.74	-54.82
CC(C)[N@H+]1CCCC1CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029707080	1	58	0.0	-63.77	420.62	5.18	-58.59
C[N@H+](CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CCC1	REAL300029707132	0	52	0.0	-64.25	385.40	4.42	-59.83
C[N@@H+](CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CCC1	REAL300029707132	1	52	0.0	-63.61	387.61	4.55	-59.06
CC(C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+]1C(C)CCC1C	REAL300029707181	0	58	0.0	-60.06	413.44	4.98	-55.08
CN(CCC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=CC=[NH+]C=C1	REAL300029707230	0	54	0.0	-68.91	413.92	4.10	-64.81
C[N@@H+]1CCCC1CCC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029707243	0	55	0.0	-67.06	409.39	5.13	-61.93
C[N@H+]1CCCC1CCC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029707243	1	55	0.0	-66.97	404.59	4.63	-62.34
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C[N@H+](CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)CC1=CC=CC=C1	REAL300029707277	1	55	0.0	-68.55	418.15	6.16	-62.39
C[N@@H+](CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)CC1=CC=CC=C1	REAL300029707277	1	55	0.0	-71.34	415.85	6.03	-65.31
C[NH+]1CCC(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300029707288	0	52	0.0	-77.86	383.75	4.10	-73.76
C[NH+](C)CC1=CC(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)=NO1	REAL300029707317	1	51	0.0	-77.06	402.35	3.53	-73.53
CC1=C(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)C=CC2=C[NH+]=CN21	REAL300029707318	0	50	0.0	-68.17	397.08	6.32	-61.85
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CC1=[NH+]C=CN1CCCC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029707459	1	53	0.0	-67.89	410.15	5.33	-62.56
C[NH+](C)CC1=CC=C(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)C=C1	REAL300029707464	0	55	0.0	-72.65	419.65	6.06	-66.59
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CC1=C[NH+]=CN1CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029707490	1	47	0.0	-65.47	371.54	4.94	-60.53
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C[N@H+]1CCC(CC(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029707552	1	52	0.0	-68.83	391.01	4.21	-64.62
CCC(C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300029707567	0	51	0.0	-63.37	370.69	3.76	-59.61
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CCC[N@@H+](C)CCC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029707679	1	54	0.0	-70.55	400.78	4.37	-66.18
CCC[N@H+](C)CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029707683	0	51	0.0	-65.32	380.73	3.99	-61.33
CCC[N@@H+](C)CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029707683	1	51	0.0	-66.04	378.41	3.84	-62.20
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C[N@@H+]1CCC[C@@H]1C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029707736	0	49	0.0	-70.88	357.29	2.91	-67.97
C[N@H+]1CCC[C@@H]1C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029707736	1	49	0.0	-62.48	366.24	3.64	-58.84
CCCCCC[N@H+](C)CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029707786	0	60	0.0	-67.49	442.91	6.18	-61.31
CCCCCC[N@@H+](C)CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029707786	1	60	0.0	-66.50	445.22	6.33	-60.17
CC[NH+](CC)CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029707798	0	51	0.0	-65.53	371.72	3.51	-62.02
CCC[N@@H+]1CCCC(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029707824	0	58	0.0	-60.55	415.55	5.61	-54.94
CCC[N@H+]1CCCC(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029707824	1	58	0.0	-65.86	426.07	5.62	-60.24
CC(C)[N@@H+]1CCOC(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029707837	1	56	0.0	-63.39	406.03	3.94	-59.45
CC(C)[N@H+]1CCOC(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029707837	1	56	0.0	-68.33	416.78	4.18	-64.15
CC1CC[NH+](CC(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300029707867	0	55	0.0	-69.21	403.05	4.95	-64.26
C[NH+]1CCC(OCC(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300029707889	0	56	0.0	-71.85	421.83	4.60	-67.25
C[NH+](C)CC1(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300029707902	0	52	0.0	-67.44	389.51	4.46	-62.98
CC1=[NH+]C=C2CCC(C(=O)NC34CC3CN(C(=O)C3=CC(=O)[N-]O3)CCC4)CN21	REAL300029707903	1	54	0.0	-65.93	407.54	5.19	-60.74
CC(C)[NH+]1CCC(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300029707967	0	58	0.0	-65.44	420.14	5.40	-60.04
C[NH+]1CCC(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300029707984	0	52	0.0	-77.86	383.75	4.10	-73.76
CCC(C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](CC)CC	REAL300029708014	0	57	0.0	-60.51	409.11	4.94	-55.57
CC[N@H+](C)CCC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029708071	0	51	0.0	-69.68	379.28	3.66	-66.02
CC[N@@H+](C)CCC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029708071	1	51	0.0	-69.81	379.28	3.65	-66.16
CC1CCC[N@@H+]1CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029708116	0	52	0.0	-62.18	380.12	3.91	-58.27
CC1CCC[N@H+]1CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029708116	1	52	0.0	-62.78	381.18	4.00	-58.78
CC1CC[N@H+](CC(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029708118	0	52	0.0	-64.66	390.37	4.28	-60.38
CC1CC[N@@H+](CC(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029708118	1	52	0.0	-64.77	390.39	4.37	-60.40
CC1=[NH+]C=C2CC(C(=O)NC34CC3CN(C(=O)C3=CC(=O)[N-]O3)CCC4)CCN21	REAL300029708119	1	54	0.0	-73.22	408.41	5.19	-68.03
CC1(C)CC[N@H+](CC(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029708122	0	55	0.0	-64.31	406.93	4.79	-59.52
CC1(C)CC[N@@H+](CC(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029708122	1	55	0.0	-64.92	407.96	4.86	-60.06
C[N@H+](CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)CC(C)(C)C	REAL300029708123	0	57	0.0	-64.86	409.02	4.95	-59.91
C[N@@H+](CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)CC(C)(C)C	REAL300029708123	1	57	0.0	-65.35	412.87	5.15	-60.20
CC[C@@H](C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300029708130	0	51	0.0	-63.91	374.68	3.58	-60.33
C[NH+]1CCC(O)(CC(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300029708285	0	56	0.0	-68.59	414.83	2.75	-65.84
C[NH+](C)CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029708295	0	45	0.0	-66.33	339.18	2.43	-63.90
O=C(C[NH+]1CCC(CO)CC1)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029708298	0	56	0.0	-69.15	414.38	1.64	-67.51
O=C(C[NH+]1CCCCCC1)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029708300	0	55	0.0	-66.03	391.35	4.50	-61.53
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C[N@@H+]1CCCC(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029708310	0	52	0.0	-61.90	385.53	4.45	-57.45
C[N@H+]1CCCC(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029708310	1	52	0.0	-62.46	379.86	4.36	-58.10
O=C(NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CCC[N@@H+]1C1CC1	REAL300029708314	0	53	0.0	-62.45	385.99	4.93	-57.52
O=C(NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CCC[N@H+]1C1CC1	REAL300029708314	1	53	0.0	-61.07	395.24	4.98	-56.09
CC(C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+]1CCC1	REAL300029708338	1	49	0.0	-64.85	368.79	3.55	-61.30
CCC(CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C[NH+](C)C	REAL300029708344	0	57	0.0	-59.89	416.11	5.05	-54.84
O=C(C[NH+]1CCC(O)CC1)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029708373	1	53	0.0	-72.94	393.80	0.99	-71.95
C[N@H+](CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CC1	REAL300029708374	0	49	0.0	-63.20	371.15	4.01	-59.19
C[N@@H+](CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CC1	REAL300029708374	1	49	0.0	-62.83	368.46	3.84	-58.99
CC(C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)N1CC[NH+](C)CC1	REAL300029708375	1	57	0.0	-68.20	417.18	2.37	-65.83
C[NH+]1CC(CC(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029708391	0	49	0.0	-68.01	373.33	3.42	-64.59
O=C(NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CC[N@@H+]1C1CCCC1	REAL300029708395	0	56	0.0	-64.56	417.46	5.61	-58.95
O=C(NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CC[N@H+]1C1CCCC1	REAL300029708395	1	56	0.0	-64.67	412.91	5.37	-59.30
CC(C)(C)[N@@H+]1CCC1C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029708402	0	55	0.0	-61.75	404.16	4.30	-57.45
CC(C)(C)[N@H+]1CCC1C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029708402	1	55	0.0	-61.73	406.65	4.36	-57.37
C[C@@H](C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300029708413	0	48	0.0	-64.54	361.81	2.99	-61.55
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[NH2+]=C1SC=CN1CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029708492	0	45	0.0	-61.33	368.57	2.74	-58.59
C[N@H+](CCO)CCC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029708500	0	52	0.0	-70.20	389.63	0.41	-69.79
C[N@@H+](CCO)CCC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029708500	1	52	0.0	-68.28	389.59	0.43	-67.85
C[C@@H](C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300029708501	0	48	0.0	-64.54	361.81	2.99	-61.55
C[N@@H+]1CCCC[C@@H]1C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029708505	0	52	0.0	-64.04	375.14	4.05	-59.99
C[N@H+]1CCCC[C@@H]1C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029708505	1	52	0.0	-62.73	384.67	4.16	-58.57
CC1CN2CC[N@@H+]1CC2C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029708512	0	55	0.0	-68.54	397.37	1.49	-67.05
CC1CN2CC[N@H+]1CC2C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029708512	1	55	0.0	-65.33	394.85	1.53	-63.80
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C[N@H+](CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CCSC1	REAL300029708577	0	53	0.0	-70.44	400.99	4.80	-65.64
C[N@@H+](CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CCSC1	REAL300029708577	1	53	0.0	-70.44	400.77	4.82	-65.62
O=C(C[NH+]1CCC1)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029708578	1	46	0.0	-65.62	354.36	2.98	-62.64
C[NH+](C)CC1=CC(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)=CC=N1	REAL300029708603	1	54	0.0	-71.27	413.32	4.46	-66.81
C[N@@H+]1CCC(=CC(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029708604	0	50	0.0	-70.61	380.57	4.10	-66.51
C[N@H+]1CCC(=CC(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029708604	1	50	0.0	-70.65	380.35	4.11	-66.54
C[NH+](C)CCOCC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029708632	0	52	0.0	-69.32	395.06	3.37	-65.95
CCCCC[N@H+](C)CCC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029708638	0	60	0.0	-71.22	443.78	5.94	-65.28
CCCCC[N@@H+](C)CCC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029708638	1	60	0.0	-71.32	443.78	5.93	-65.39
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)O1	REAL300029708646	0	56	0.0	-67.95	420.72	4.45	-63.50
C=CCC(C)(C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300029708653	0	55	0.0	-74.60	392.32	4.28	-70.32
C[S+](C)CCC(O)C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029708658	0	51	0.0	-66.93	407.06	2.18	-64.75
CN1CC[N@H+](C)CC(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029708691	0	57	0.0	-64.91	416.18	2.36	-62.55
CN1CC[N@@H+](C)CC(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029708691	1	57	0.0	-64.91	416.18	2.36	-62.55
CC(C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)[N@@H+]1CCCC(O)C1	REAL300029708692	0	56	0.0	-62.53	411.71	1.72	-60.81
C[N@@H+]1CCCC(O)(CC(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029708711	0	56	0.0	-63.88	411.28	2.80	-61.08
C[N@H+]1CCCC(O)(CC(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029708711	1	56	0.0	-63.88	411.28	2.80	-61.08
CC1CN(CC(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029708714	0	49	0.0	-65.79	374.34	3.72	-62.07
CC1C[NH+](CC(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029708714	1	49	0.0	-65.79	374.34	3.72	-62.07
CN(CCO)CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029708739	0	49	0.0	-65.78	369.58	0.00	-65.78
C[N@H+](CCO)CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029708739	1	49	0.0	-69.11	368.47	-0.11	-69.22
C[N@@H+](CCO)CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029708739	1	49	0.0	-69.11	368.47	-0.11	-69.22
O=C(NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1C[N@@H+]2CCN1CCC2	REAL300029708759	0	55	0.0	-70.33	391.09	2.40	-67.93
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CC[N@@H+]1CCCC(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029708763	0	55	0.0	-56.92	395.14	4.90	-52.02
CC[N@H+]1CCCC(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029708763	1	55	0.0	-56.92	395.14	4.90	-52.02
CC(CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C[NH+](C)C	REAL300029708765	0	54	0.0	-70.10	396.37	4.42	-65.68
CC[N@H+](C)CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029708777	0	48	0.0	-65.49	359.51	3.26	-62.23
CC[N@H+](CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CC1	REAL300029708824	0	52	0.0	-64.99	385.60	4.41	-60.58
CC[NH+](CC)CCC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029708839	0	54	0.0	-69.76	398.80	4.34	-65.42
C[NH+]1CCC(=CC(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300029708851	0	53	0.0	-70.10	398.49	4.89	-65.21
CC1(C)C[NH+](CC(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029708862	1	52	0.0	-67.98	389.79	4.05	-63.93
CC1(O)CC[N@H+](CC(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029708885	0	53	0.0	-64.95	400.25	0.97	-63.98
CC1(O)CC[N@@H+](CC(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029708885	1	53	0.0	-64.86	398.17	1.02	-63.84
C[NH+](C)CC=CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029708891	0	49	0.0	-70.60	379.09	3.86	-66.74
CC(OCC[NH+](C)C)C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029708908	0	55	0.0	-65.98	418.60	4.24	-61.74
C[NH+](C)CCOCCC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029708917	0	55	0.0	-72.17	416.05	3.22	-68.95
COCC[N@H+](C)CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029708918	1	52	0.0	-68.96	390.72	2.28	-66.68
COCC[N@@H+](C)CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029708918	1	52	0.0	-66.28	392.11	2.43	-63.85
CC(CCC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300029708951	0	54	0.0	-76.97	394.13	4.19	-72.78
CC[N@@H+]1CCC1C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029708960	1	49	0.0	-63.89	373.34	3.54	-60.35
CC[N@H+]1CCC1C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029708960	1	49	0.0	-63.68	367.23	3.28	-60.40
CC(C)[N@@H+]1CCCC(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029708969	0	58	0.0	-64.34	420.98	5.38	-58.96
CC(C)[N@H+]1CCCC(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029708969	1	58	0.0	-67.30	418.11	5.23	-62.07
O=C(C[N@H+]1CCCC1CO)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029708981	0	53	0.0	-63.63	400.01	1.17	-62.46
O=C(C[N@@H+]1CCCC1CO)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029708981	1	53	0.0	-64.02	394.67	0.64	-63.38
O=C(NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CC2CCCC[N@@H+]2C1	REAL300029709000	0	56	0.0	-64.01	409.08	5.24	-58.77
O=C(NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CC2CCCC[N@H+]2C1	REAL300029709000	1	56	0.0	-63.86	411.77	5.31	-58.55
C[NH+](C)CC1=CNC(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)=C1	REAL300029709007	0	53	0.0	-71.00	410.63	3.86	-67.14
CC(C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+]1CCC(O)CC1	REAL300029709019	0	56	0.0	-71.95	410.77	1.41	-70.54
C=CCC(C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300029709027	0	52	0.0	-64.02	385.51	4.21	-59.81
C[N@@H+]1CC(C)(C)CC1C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709034	0	55	0.0	-64.72	403.95	4.26	-60.46
C[N@H+]1CC(C)(C)CC1C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709034	1	55	0.0	-64.76	400.22	4.13	-60.63
C[NH+](C)CCCCCC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709038	0	57	0.0	-74.22	426.05	5.35	-68.87
O=C(C[NH+]1CC2CC2C1)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709046	0	50	0.0	-67.39	374.58	4.32	-63.07
CC1C[N@@H+]2CCN1C(C(=O)NC13CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC3)C2	REAL300029709072	0	55	0.0	-86.31	393.03	1.55	-84.76
CC1C[N@H+]2CCN1C(C(=O)NC13CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC3)C2	REAL300029709072	1	55	0.0	-68.98	397.00	1.65	-67.33
CCCC(C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300029709073	0	54	0.0	-65.00	394.42	4.37	-60.63
C[N@@H+]1CCCCC1C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709111	0	52	0.0	-63.92	377.53	4.05	-59.87
C[N@H+]1CCCCC1C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709111	1	52	0.0	-63.96	376.74	4.04	-59.92
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C[N@@H+]1CC=C(CC(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300029709147	1	53	0.0	-67.30	404.33	4.95	-62.35
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C[NH+](C)CC1=CC=C(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)O1	REAL300029709197	1	52	0.0	-69.50	407.96	4.28	-65.22
C[NH+](C)CC1=CC=C(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)C=N1	REAL300029709201	0	54	0.0	-71.91	418.15	4.21	-67.70
O=C(C=CC[NH+]1CCCC1)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709212	0	53	0.0	-72.55	401.48	4.86	-67.69
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O=C(NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1C[NH+]2CCN1CC2	REAL300029709281	0	52	0.0	-70.51	381.20	1.00	-69.51
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CC[NH+]1CCN(CC(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300029709370	0	57	0.0	-64.14	417.27	2.64	-61.50
CC(C[NH+](C)C)C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709385	0	51	0.0	-67.55	380.08	3.87	-63.68
C[N@@H+]1CCCCC1CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709453	0	55	0.0	-67.32	402.62	4.76	-62.56
C[N@H+]1CCCCC1CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709453	1	55	0.0	-62.29	396.32	4.65	-57.64
CC1=C2C=C(C(=O)NC34CC3CN(C(=O)C3=CC(=O)[N-]O3)CCC4)C=CN2C=[NH+]1	REAL300029709466	1	50	0.0	-79.73	391.52	6.52	-73.21
CC(C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+]1CC(C)C1	REAL300029709467	1	52	0.0	-62.90	393.27	4.21	-58.69
CC1CC[N@@H+]1CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709470	1	49	0.0	-64.41	375.86	3.66	-60.75
CC1CC[N@H+]1CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709470	1	49	0.0	-63.76	372.72	3.64	-60.12
C[NH+](C)CC(O)CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709474	0	52	0.0	-74.46	391.69	1.37	-73.09
CC1C[N@H+](C)CC(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)O1	REAL300029709497	1	53	0.0	-70.97	400.63	3.71	-67.26
CC1C[N@@H+](C)CC(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)O1	REAL300029709497	1	53	0.0	-71.20	394.23	3.28	-67.92
O=C(CC[NH+]1CCC(O)CC1)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709506	0	56	0.0	-71.94	413.82	1.48	-70.46
CCC[N@@H+]1CCCCC1C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709508	0	58	0.0	-63.31	414.23	5.44	-57.87
CCC[N@H+]1CCCCC1C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709508	1	58	0.0	-62.13	413.37	5.41	-56.72
C[NH+](C)[C@H]1C[C@H](C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029709579	0	52	0.0	-66.37	390.74	4.27	-62.10
CC(CC[NH+](C)C)C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709587	0	54	0.0	-68.80	401.71	4.49	-64.31
C[N@H+](CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)[C@@H]1CCC[C@H]1O	REAL300029709604	0	56	0.0	-62.37	410.17	1.65	-60.72
C[N@@H+](CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)[C@@H]1CCC[C@H]1O	REAL300029709604	1	56	0.0	-63.20	415.92	1.94	-61.26
C#CC[N@H+]1CCCCC1C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709611	1	54	0.0	-60.34	411.51	5.36	-54.98
C#CC[N@@H+]1CCCCC1C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709611	1	54	0.0	-61.29	411.77	5.42	-55.87
C[NH+]1CCN(CC(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300029709614	1	54	0.0	-68.84	403.48	2.08	-66.76
CC[NH+]1CCN(CC(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300029709623	0	57	0.0	-64.14	417.27	2.64	-61.50
NC(=[NH2+])SCC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709645	0	43	0.0	-72.70	347.10	-0.63	-73.33
CCN1CCOCC1CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709678	0	56	0.0	-67.34	405.77	2.89	-64.45
CC[N@@H+]1CCOCC1CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709678	1	56	0.0	-68.55	411.42	3.08	-65.47
CC[N@H+]1CCOCC1CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709678	1	56	0.0	-68.55	411.42	3.08	-65.47
C[NH+](C)C1CCC(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300029709692	0	58	0.0	-68.80	420.11	5.40	-63.40
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300029709694	0	58	0.0	-65.89	414.80	5.30	-60.59
C[N@@H+]1CC=CCC1CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709695	0	53	0.0	-62.13	388.65	4.62	-57.51
C[N@H+]1CC=CCC1CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709695	1	53	0.0	-62.13	388.65	4.62	-57.51
C[C@@H](OCC[NH+](C)C)C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709716	0	55	0.0	-67.59	414.89	4.07	-63.52
C[NH+]1C2CCC1CC(C(=O)NC13CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC3)C2	REAL300029709738	0	56	0.0	-69.31	374.10	4.65	-64.66
CC(C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+]1CCSCC1	REAL300029709827	1	53	0.0	-65.88	401.22	4.62	-61.26
C[N@H+]1CCC[C@H]1C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709836	1	49	0.0	-62.04	364.67	3.08	-58.96
O=C(CC[N@@H+]1CCC(F)C1)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709843	1	52	0.0	-70.67	396.07	4.39	-66.28
O=C(CC[NH+]1CCCCCC1)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709859	0	58	0.0	-70.60	413.20	5.06	-65.54
O=C(C[NH+]1CCCCC1)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709861	0	52	0.0	-68.00	382.23	4.31	-63.69
CC1C(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)CC[N@@H+]1C	REAL300029709869	0	52	0.0	-65.60	388.41	3.99	-61.61
CC1C(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)CC[N@H+]1C	REAL300029709869	1	52	0.0	-68.82	382.50	3.91	-64.91
C[N@@H+]1CCCCC1CCC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709871	0	58	0.0	-66.12	422.65	5.48	-60.64
C[N@H+]1CCCCC1CCC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709871	1	58	0.0	-66.19	422.32	5.48	-60.71
O=C(NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CC[N@@H+]2CCOCC12	REAL300029709895	0	54	0.0	-64.18	396.79	2.86	-61.32
O=C(NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CC[N@H+]2CCOCC12	REAL300029709895	1	54	0.0	-67.73	402.92	2.85	-64.88
CC1=[NH+]C=C2C=CC(C(=O)NC34CC3CN(C(=O)C3=CC(=O)[N-]O3)CCC4)=CN21	REAL300029709900	0	50	0.0	-70.17	390.76	5.73	-64.44
C[N@@H+]1CCOCC1CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709917	1	53	0.0	-64.27	385.59	2.30	-61.97
C[N@H+]1CCOCC1CC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709917	1	53	0.0	-63.47	388.23	2.30	-61.17
CC1=C(C)[NH+]=C(CCC(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)N1	REAL300029709925	1	53	0.0	-61.85	412.12	3.88	-57.97
C[N@@H+]1CCCC1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029710093	0	49	0.0	-65.58	371.78	3.59	-61.99
C[N@H+]1CCCC1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029710093	1	49	0.0	-64.06	366.66	3.26	-60.80
C[N@@H+]1CCOC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029710119	1	50	0.0	-76.27	374.18	2.76	-73.51
C[N@H+]1CCOC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029710119	1	50	0.0	-63.02	371.63	2.71	-60.31
CC1=[NH+]C=CN1CCCC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029710281	1	53	0.0	-64.79	414.95	5.53	-59.26
C[NH+](C)CC1=CC=C(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C=C1	REAL300029710286	0	55	0.0	-73.73	422.61	5.80	-67.93
O=C(CC[NH+]1CCOCC1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029710287	1	53	0.0	-70.63	401.55	2.76	-67.87
O=C(NC12CC1CN(C(=O)C13CCC[NH+]1CCC3)CCC2)C1=CC(=O)[N-]O1	REAL300029710312	0	53	0.0	-61.51	381.33	3.95	-57.56
O=C(NC12CC1CN(C(=O)C1=CC3=C[NH+]=CN3C=C1)CCC2)C1=CC(=O)[N-]O1	REAL300029710322	1	47	0.0	-77.38	382.71	6.14	-71.24
C[NH+](C)C1CCCC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029710382	0	58	0.0	-76.60	417.89	5.15	-71.45
C[N@@H+]1CCC(CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029710385	0	52	0.0	-68.59	393.08	4.41	-64.18
C[N@H+]1CCC(CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029710385	1	52	0.0	-68.17	393.66	4.37	-63.80
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029710397	0	51	0.0	-70.30	399.67	2.36	-67.94
CCC(C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029710402	0	51	0.0	-64.95	369.66	3.50	-61.45
C[NH+](C)CCCCC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029710469	0	54	0.0	-69.25	409.34	4.75	-64.50
CC(C)C(C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029710491	0	54	0.0	-67.09	380.13	4.06	-63.03
CCC[N@H+](C)CCC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029710493	0	54	0.0	-64.69	405.55	4.58	-60.11
CCC[N@@H+](C)CCC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029710493	1	54	0.0	-68.96	407.86	4.71	-64.25
CCC[N@H+](C)CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029710499	0	51	0.0	-69.33	388.52	4.12	-65.21
CCC[N@@H+](C)CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029710499	1	51	0.0	-69.64	387.86	4.11	-65.53
O=C(NC12CC1CN(C(=O)C13CC[N@H+](C1)CCC3)CCC2)C1=CC(=O)[N-]O1	REAL300029710523	0	53	0.0	-67.37	377.16	3.53	-63.84
O=C(NC12CC1CN(C(=O)C13CC[N@@H+](C1)CCC3)CCC2)C1=CC(=O)[N-]O1	REAL300029710523	1	53	0.0	-74.18	379.09	3.44	-70.74
CCCCCC[N@H+](C)CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029710559	0	60	0.0	-70.51	453.02	6.46	-64.05
CCCCCC[N@@H+](C)CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029710559	1	60	0.0	-70.86	452.36	6.46	-64.40
CC[NH+](CC)C(C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)C(C)C	REAL300029710564	0	60	0.0	-59.86	419.18	5.28	-54.58
CC1CC[NH+](CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029710597	0	55	0.0	-61.21	406.56	5.05	-56.16
C[NH+]1CCC(OCC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029710625	0	56	0.0	-75.74	423.93	4.75	-70.99
O=C(NC12CC1CN(C(=O)C1CC3CCCC[N@@H+]3C1)CCC2)C1=CC(=O)[N-]O1	REAL300029710670	0	56	0.0	-72.01	413.30	5.28	-66.73
O=C(NC12CC1CN(C(=O)C1CC3CCCC[N@H+]3C1)CCC2)C1=CC(=O)[N-]O1	REAL300029710670	1	56	0.0	-62.61	407.49	5.20	-57.41
C[NH+](C)CC1(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029710681	0	52	0.0	-63.35	396.42	4.27	-59.08
CC1=[NH+]C=C2CCC(C(=O)N3CCCC4(NC(=O)C5=CC(=O)[N-]O5)CC4C3)CN21	REAL300029710682	1	54	0.0	-61.36	410.78	5.19	-56.17
CC(C)[NH+]1CCC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029710693	0	58	0.0	-70.86	419.64	5.08	-65.78
CC[N@H+](C)CCC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029710718	0	51	0.0	-64.20	384.05	3.83	-60.37
CC[N@@H+](C)CCC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029710718	1	51	0.0	-68.34	386.38	3.97	-64.37
CC(C)(C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+]1CCCCC1	REAL300029710744	0	58	0.0	-69.13	392.93	4.80	-64.33
O=C(NC12CC1CN(C(=O)C1C[NH+]3CCC1CC3)CCC2)C1=CC(=O)[N-]O1	REAL300029710754	0	53	0.0	-69.43	382.80	4.15	-65.28
C[NH+]1CCC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029710834	0	52	0.0	-75.00	394.14	4.31	-70.69
CC(C)[C@H](C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029710852	0	54	0.0	-69.18	387.96	4.23	-64.95
CC[NH+](CC)CC(F)C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029710947	0	54	0.0	-77.98	408.29	4.66	-73.32
CC(C)C[N@@H+]1CCC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029710982	0	58	0.0	-65.22	430.50	5.62	-59.60
CC(C)C[N@H+]1CCC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029710982	1	58	0.0	-70.42	429.85	5.55	-64.87
C[NH+](C)C1(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CCC1	REAL300029710986	0	52	0.0	-75.31	376.20	3.70	-71.61
CCC(C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](CC)CC	REAL300029711017	0	57	0.0	-60.61	403.76	4.79	-55.82
CC1CCC[N@@H+]1CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029711037	0	52	0.0	-63.45	384.75	4.09	-59.36
CC1CCC[N@H+]1CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029711037	1	52	0.0	-66.85	393.99	4.51	-62.34
CC(C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+]1CCCCCC1	REAL300029711107	0	58	0.0	-64.63	409.71	4.96	-59.67
CC(C)[N@@H+]1CCCCC1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029711109	0	58	0.0	-62.24	412.16	4.93	-57.31
CC(C)[N@H+]1CCCCC1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029711109	1	58	0.0	-61.62	414.31	5.10	-56.52
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029711130	0	55	0.0	-62.29	400.97	4.61	-57.68
CC(C)[N@H+]1CCCC1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029711130	1	55	0.0	-58.68	393.69	4.34	-54.34
CC(C)[N@@H+]1CCCC1CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029711136	0	58	0.0	-59.77	417.13	5.27	-54.50
CC(C)[N@H+]1CCCC1CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029711136	1	58	0.0	-64.91	425.25	5.37	-59.54
CC(C)[C@@H](C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029711151	0	54	0.0	-62.92	390.04	4.45	-58.47
CC1CC[N@H+](CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029711172	0	52	0.0	-68.81	393.98	4.41	-64.40
CC1CC[N@@H+](CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029711172	1	52	0.0	-66.22	391.67	4.36	-61.86
CC1=[NH+]C=C2CC(C(=O)N3CCCC4(NC(=O)C5=CC(=O)[N-]O5)CC4C3)CCN21	REAL300029711174	1	54	0.0	-65.04	412.05	5.27	-59.77
CC1(C)CC[N@H+](CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029711177	0	55	0.0	-65.96	411.06	4.96	-61.00
CC1(C)CC[N@@H+](CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029711177	1	55	0.0	-68.62	413.48	4.96	-63.66
C[N@H+](CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)CC(C)(C)C	REAL300029711178	0	57	0.0	-69.06	417.72	5.15	-63.91
C[N@@H+](CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)CC(C)(C)C	REAL300029711178	1	57	0.0	-70.33	420.87	5.31	-65.02
CC[C@@H](C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029711187	0	51	0.0	-64.39	375.03	3.59	-60.80
CN(CCC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)C1=CC=[NH+]C=C1	REAL300029711314	0	54	0.0	-60.43	420.75	4.40	-56.03
CC1=[NH+]C=CN1CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029711398	1	47	0.0	-66.12	378.68	4.34	-61.78
CC(C[NH+]1CCOCC1)C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029711400	0	56	0.0	-65.31	413.72	3.12	-62.19
O=C(CCC[NH+]1CCCCC1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029711417	0	58	0.0	-67.63	431.78	5.97	-61.66
C[NH+](C)CC1=CC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)=NO1	REAL300029711435	1	51	0.0	-76.50	402.25	4.08	-72.42
CC1=C(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C=CC2=C[NH+]=CN21	REAL300029711436	0	50	0.0	-71.83	397.55	6.35	-65.48
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029711471	1	53	0.0	-62.26	411.98	5.43	-56.83
O=C(NC12CC1CN(C(=O)C1CCCC3CCC[N@@H+]31)CCC2)C1=CC(=O)[N-]O1	REAL300029711507	0	56	0.0	-63.67	397.80	4.72	-58.95
O=C(NC12CC1CN(C(=O)C1CCCC3CCC[N@H+]31)CCC2)C1=CC(=O)[N-]O1	REAL300029711507	1	56	0.0	-65.46	403.95	4.81	-60.65
CC[N@@H+]1CCOC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029711529	1	53	0.0	-60.85	388.02	3.38	-57.47
CC[N@H+]1CCOC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029711529	1	53	0.0	-78.88	399.08	3.59	-75.29
O=C(NC12CC1CN(C(=O)C1=CN3C=[NH+]C=C3C=C1)CCC2)C1=CC(=O)[N-]O1	REAL300029711582	0	47	0.0	-77.82	382.60	6.06	-71.76
CC1=C[NH+]=CN1CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029711587	1	47	0.0	-64.39	376.07	5.05	-59.34
C[C@@H]1[C@H](C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC[N@@H+]1C	REAL300029711603	0	52	0.0	-64.35	377.32	3.94	-60.41
C[C@@H]1[C@H](C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC[N@H+]1C	REAL300029711603	1	52	0.0	-75.83	392.01	4.14	-71.69
CC[C@@H]1[C@@H](C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC[N@@H+]1C	REAL300029711608	0	55	0.0	-68.17	406.37	4.38	-63.79
CC[C@@H]1[C@@H](C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC[N@H+]1C	REAL300029711608	1	55	0.0	-72.45	408.97	4.60	-67.85
CC1CCC(C)[NH+]1CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029711621	0	55	0.0	-62.59	403.27	4.59	-58.00
O=C(CCC[NH+]1CCCC1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029711627	0	55	0.0	-67.21	414.51	5.17	-62.04
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)=C1	REAL300029711628	0	55	0.0	-75.31	416.79	5.67	-69.64
C#CC[NH+]1CCC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029711634	0	54	0.0	-73.66	414.15	5.32	-68.34
O=C(CC[NH+]1CCCCC1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029711635	0	55	0.0	-67.63	410.28	5.18	-62.45
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029711639	0	55	0.0	-56.69	422.86	5.94	-50.75
CC[N@@H+]1CCCCC1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029711643	0	55	0.0	-62.59	393.54	4.47	-58.12
CC[N@H+]1CCCCC1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029711643	1	55	0.0	-63.85	396.68	4.38	-59.47
C[NH+](C)C(C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)C1=CC=CC=C1	REAL300029711646	1	55	0.0	-67.77	411.30	5.79	-61.98
O=C(CN1C=[NH+]C2=C1CCCC2)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029711651	1	54	0.0	-68.86	420.23	6.78	-62.08
C[NH+](C)C1(CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CCCC1	REAL300029711687	0	58	0.0	-71.28	413.00	5.21	-66.07
C[N@H+](CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)C1CCC1	REAL300029711852	0	52	0.0	-65.27	392.54	4.68	-60.59
C[N@@H+](CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)C1CCC1	REAL300029711852	1	52	0.0	-69.02	396.51	4.72	-64.30
CC(C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+]1C(C)CCC1C	REAL300029711877	0	58	0.0	-64.59	416.18	4.99	-59.60
O=C(CCCC[NH+]1CCCC1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029711890	0	58	0.0	-67.76	437.61	6.06	-61.70
C[N@H+](CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)CC1=CC=CC=C1	REAL300029711892	1	55	0.0	-73.54	426.00	6.33	-67.21
C[N@@H+](CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)CC1=CC=CC=C1	REAL300029711892	1	55	0.0	-73.91	425.33	6.30	-67.61
C[NH+]1CCC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029711903	0	52	0.0	-75.00	394.14	4.31	-70.69
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029711948	0	49	0.0	-68.68	363.13	3.09	-65.59
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029711948	1	49	0.0	-65.77	371.26	3.57	-62.20
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029711972	1	51	0.0	-66.08	391.37	4.48	-61.60
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029711972	1	51	0.0	-65.15	400.38	4.87	-60.28
C[N@@H+]1CCCC1CCC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029711978	0	55	0.0	-69.38	416.61	5.28	-64.10
C[N@H+]1CCCC1CCC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029711978	1	55	0.0	-67.71	407.64	4.80	-62.91
O=C(NC12CC1CN(C(=O)C13CCC[NH+](CCC1)C3)CCC2)C1=CC(=O)[N-]O1	REAL300029711989	0	56	0.0	-69.09	393.46	4.30	-64.79
O=C(NC12CC1CN(C(=O)C1CCC3CCCC[N@@H+]31)CCC2)C1=CC(=O)[N-]O1	REAL300029711996	0	56	0.0	-61.32	410.20	5.49	-55.83
O=C(NC12CC1CN(C(=O)C1CCC3CCCC[N@H+]31)CCC2)C1=CC(=O)[N-]O1	REAL300029711996	1	56	0.0	-60.94	410.66	5.48	-55.46
CCC[N@@H+]1CCCC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029712069	0	58	0.0	-68.57	428.87	5.53	-63.04
CCC[N@H+]1CCCC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029712069	1	58	0.0	-63.79	421.97	5.68	-58.11
CC(C)[N@@H+]1CCOC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029712086	1	56	0.0	-76.17	417.00	4.18	-71.99
CC(C)[N@H+]1CCOC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029712086	1	56	0.0	-72.04	409.49	3.99	-68.05
C[N@@H+]1CCCCC1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029712117	0	52	0.0	-65.73	385.24	4.22	-61.51
C[N@H+]1CCCCC1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029712117	1	52	0.0	-64.15	388.17	4.27	-59.88
CC(C)C[N@@H+]1CCCC1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029712141	0	58	0.0	-63.58	424.16	5.36	-58.22
CC(C)C[N@H+]1CCCC1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029712141	1	58	0.0	-62.30	418.10	5.05	-57.25
O=C(C[NH+]1CCC(CO)CC1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029712156	0	56	0.0	-62.33	417.38	1.74	-60.59
CC1C(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC[N@@H+]1C	REAL300029712202	0	52	0.0	-63.83	385.08	3.95	-59.88
CC1C(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC[N@H+]1C	REAL300029712202	1	52	0.0	-69.75	391.25	4.07	-65.68
C[N@@H+]1CCCCC1CCC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029712204	0	58	0.0	-73.47	423.07	5.52	-67.95
C[N@H+]1CCCCC1CCC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029712204	1	58	0.0	-73.78	422.64	5.51	-68.27
NC1=[NH+]C2=C(C=C1C(=O)N1CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C1)CCC2	REAL300029712236	1	52	0.0	-60.76	402.38	3.34	-57.42
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029712300	0	55	0.0	-63.76	387.17	3.83	-59.93
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029712300	1	55	0.0	-64.85	409.46	4.42	-60.43
C[C@@H](C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029712319	0	48	0.0	-58.25	359.71	2.93	-55.32
C[NH+](C)CC1=CC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)=CC=N1	REAL300029712333	1	54	0.0	-72.70	412.45	3.84	-68.86
C=CCC(C)(C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029712337	0	55	0.0	-59.54	389.16	4.07	-55.47
O=C(CC[NH+]1CCCC1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029712362	0	52	0.0	-67.52	394.61	4.47	-63.05
C[N@H+](CCO)CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029712372	1	49	0.0	-70.68	376.71	0.14	-70.54
C[N@@H+](CCO)CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029712372	1	49	0.0	-69.53	377.13	0.15	-69.38
O=C(NC12CC1CN(C(=O)C1C[N@@H+]3CCN1CCC3)CCC2)C1=CC(=O)[N-]O1	REAL300029712410	0	55	0.0	-77.88	395.02	1.95	-75.93
O=C(NC12CC1CN(C(=O)C1C[N@H+]3CCN1CCC3)CCC2)C1=CC(=O)[N-]O1	REAL300029712410	1	55	0.0	-77.99	390.00	2.07	-75.92
CC(C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+]1CCSCC1	REAL300029712432	1	53	0.0	-68.26	401.05	4.55	-63.71
C[N@H+]1CC=C(CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029712472	0	53	0.0	-68.56	407.75	5.09	-63.47
C[N@@H+]1CC=C(CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029712472	1	53	0.0	-65.72	405.36	5.10	-60.62
C[S+](C)CCC(O)C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029712487	0	51	0.0	-80.02	405.26	2.03	-77.99
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029712506	0	53	0.0	-64.27	386.70	0.51	-63.76
C[N@H+]1CC(O)CC1(C)C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029712506	1	53	0.0	-67.19	391.00	0.21	-66.98
CN1CC[N@H+](C)CC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029712519	0	57	0.0	-66.05	415.45	2.68	-63.37
CN1CC[N@@H+](C)CC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029712519	1	57	0.0	-74.36	417.20	2.27	-72.09
CC(C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[N@@H+]1CCCC(O)C1	REAL300029712520	0	56	0.0	-65.40	415.12	1.55	-63.85
CC(C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[N@H+]1CCCC(O)C1	REAL300029712520	1	56	0.0	-65.36	414.50	1.51	-63.85
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029712547	0	52	0.0	-60.51	407.39	3.50	-57.01
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029712553	0	56	0.0	-62.78	408.91	2.86	-59.92
C[N@H+]1CCCC(O)(CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029712553	1	56	0.0	-69.26	408.12	3.06	-66.20
CC1C[NH+](CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029712558	1	49	0.0	-66.69	377.62	3.79	-62.90
CC[N@@H+]1CCCC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029712565	0	55	0.0	-71.27	398.69	4.80	-66.47
CC[N@H+]1CCCC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029712565	1	55	0.0	-62.21	399.33	4.99	-57.22
NC1=[NH+]C=CC=C1CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029712571	0	48	0.0	-66.40	383.58	2.58	-63.82
O=C(NC12CC1CN(C(=O)C1CCC[N@@H+]1C1CC1)CCC2)C1=CC(=O)[N-]O1	REAL300029712584	0	53	0.0	-60.30	394.00	4.75	-55.55
O=C(NC12CC1CN(C(=O)C1CCC[N@H+]1C1CC1)CCC2)C1=CC(=O)[N-]O1	REAL300029712584	1	53	0.0	-64.51	394.86	4.50	-60.01
O=C(C=CC[NH+]1CCCC1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029712627	0	53	0.0	-78.19	405.58	5.04	-73.15
O=C(NC12CC1CN(C(=O)C1CC[NH+](C3CC3)CC1)CCC2)C1=CC(=O)[N-]O1	REAL300029712650	0	56	0.0	-70.22	411.70	5.35	-64.87
CC[N@H+](C)CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029712697	0	48	0.0	-70.25	368.12	3.42	-66.83
O=C(CN1CC2C=CC1C2)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029712757	0	51	0.0	-66.50	388.16	4.62	-61.88
O=C(C[N@@H+]1CC2C=CC1C2)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029712757	1	51	0.0	-64.77	385.57	4.72	-60.05
O=C(C[N@H+]1CC2C=CC1C2)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029712757	1	51	0.0	-64.77	385.57	4.72	-60.05
CC1=CC=C(NCCC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)N=C1	REAL300029712779	0	54	0.0	-62.02	422.84	4.02	-58.00
CC1=CC=C(NCCC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)[NH+]=C1	REAL300029712779	1	54	0.0	-62.02	422.84	4.02	-58.00
O=C(NC12CC1CN(C(=O)C13CCC[N@@H+]1CCCC3)CCC2)C1=CC(=O)[N-]O1	REAL300029712885	0	56	0.0	-64.87	395.82	4.31	-60.56
O=C(NC12CC1CN(C(=O)C13CCC[N@H+]1CCCC3)CCC2)C1=CC(=O)[N-]O1	REAL300029712885	1	56	0.0	-62.77	393.91	4.28	-58.49
O=C(NC12CC1CN(C(=O)C13CCC[N@@H+]1CC=CC3)CCC2)C1=CC(=O)[N-]O1	REAL300029712894	0	54	0.0	-64.68	390.99	4.38	-60.30
O=C(NC12CC1CN(C(=O)C13CCC[N@H+]1CC=CC3)CCC2)C1=CC(=O)[N-]O1	REAL300029712894	1	54	0.0	-61.68	385.89	4.22	-57.46
CC(OCC[NH+](C)C)C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029712905	0	55	0.0	-66.82	417.81	4.26	-62.56
C[NH+](C)CCOCCC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029712915	0	55	0.0	-65.69	423.00	3.55	-62.14
COCC[N@H+](C)CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029712917	1	52	0.0	-69.79	399.38	2.55	-67.24
COCC[N@@H+](C)CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029712917	1	52	0.0	-70.96	398.96	2.54	-68.42
O=C(NC12CC1CN(C(=O)C1C[NH+](C3CCOC3)C1)CCC2)C1=CC(=O)[N-]O1	REAL300029712918	0	54	0.0	-74.81	412.24	3.05	-71.76
CC(CCC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029712923	0	54	0.0	-67.45	403.25	4.50	-62.95
C[NH+]1CCC(=CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029712942	0	53	0.0	-64.30	396.78	4.88	-59.42
CC[N@H+](CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)C1CC1	REAL300029712950	0	52	0.0	-65.41	387.60	4.28	-61.13
CC[N@@H+](CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)C1CC1	REAL300029712950	1	52	0.0	-58.84	385.32	4.48	-54.36
CC1C[N@@H+]2CCN1C(C(=O)N1CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C1)C2	REAL300029712966	0	55	0.0	-78.62	398.31	1.39	-77.23
CC1C[N@H+]2CCN1C(C(=O)N1CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C1)C2	REAL300029712966	1	55	0.0	-66.26	392.36	1.30	-64.96
C[N@@H+]1CC2CC1(C(=O)N1CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C1)C2	REAL300029712991	0	50	0.0	-75.41	365.30	3.35	-72.06
C[N@H+]1CC2CC1(C(=O)N1CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C1)C2	REAL300029712991	1	50	0.0	-61.98	370.68	3.76	-58.22
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029713001	1	52	0.0	-67.73	408.28	3.27	-64.46
O=C(C[N@@H+]1CC2CCC1C2)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029713008	0	53	0.0	-65.12	390.40	4.63	-60.49
O=C(C[N@H+]1CC2CCC1C2)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029713008	1	53	0.0	-63.37	390.41	4.63	-58.74
CC(C[NH+](C)C)C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029713030	0	51	0.0	-64.07	380.80	3.65	-60.42
C[NH+](C)C1(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029713047	0	49	0.0	-63.77	369.03	3.43	-60.34
C[C@H](C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029713073	0	48	0.0	-63.72	358.45	2.85	-60.87
CC[N@@H+]1CCC1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029713082	1	49	0.0	-64.16	365.08	3.26	-60.90
CC[N@H+]1CCC1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029713082	1	49	0.0	-65.95	376.81	3.70	-62.25
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029713095	0	58	0.0	-65.14	418.43	5.22	-59.92
CC(C)[N@H+]1CCCC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029713095	1	58	0.0	-63.52	424.51	5.42	-58.10
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029713110	0	57	0.0	-58.24	406.29	2.99	-55.25
C#CC[N@H+]1CCCCC1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029713154	1	54	0.0	-65.85	403.77	5.01	-60.84
C#CC[N@@H+]1CCCCC1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029713154	1	54	0.0	-65.90	398.65	4.90	-61.00
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029713155	1	51	0.0	-60.67	394.99	3.11	-57.56
NC1=CC=[NH+]C=C1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029713156	0	45	0.0	-64.80	357.13	0.56	-64.24
CCCC(C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029713165	0	54	0.0	-56.84	395.92	4.41	-52.43
C[NH+](C)C(C)(C)C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029713172	0	51	0.0	-69.87	366.75	3.16	-66.71
CC(CC[NH+](C)C)C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029713191	0	54	0.0	-66.04	405.47	4.42	-61.62
O=C(NC12CC1CN(C(=O)C13CC(C1)C[N@@H+]3C1CC1)CCC2)C1=CC(=O)[N-]O1	REAL300029713262	0	54	0.0	-61.01	399.28	5.06	-55.95
O=C(NC12CC1CN(C(=O)C13CC(C1)C[N@H+]3C1CC1)CCC2)C1=CC(=O)[N-]O1	REAL300029713262	1	54	0.0	-61.62	392.73	5.13	-56.49
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029713301	0	55	0.0	-67.01	404.82	4.42	-62.59
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029713301	1	55	0.0	-60.76	404.62	4.38	-56.38
C[NH+](C)CCCCCC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029713306	0	57	0.0	-69.00	433.13	5.66	-63.34
O=C(CC[NH+]1CCC(O)CC1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029713310	0	56	0.0	-71.45	420.91	1.80	-69.65
CCC[N@@H+]1CCCCC1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029713314	0	58	0.0	-55.81	421.94	5.49	-50.32
CCC[N@H+]1CCCCC1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029713314	1	58	0.0	-65.47	413.60	5.03	-60.44
C[NH+]1CCN(CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029713324	1	54	0.0	-63.30	402.99	2.06	-61.24
CC1C[N@H+](C)CC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)O1	REAL300029713426	1	53	0.0	-76.27	395.02	3.21	-73.06
CC1C[N@@H+](C)CC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)O1	REAL300029713426	1	53	0.0	-81.13	403.37	3.74	-77.39
CCC1CCC[N@H+](CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029713459	0	58	0.0	-69.31	430.06	5.83	-63.48
CCC1CCC[N@@H+](CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029713459	1	58	0.0	-69.18	429.97	5.85	-63.33
C[NH+](C)CC1=CC=C(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)N1	REAL300029713468	0	53	0.0	-76.89	409.77	4.37	-72.52
O=C(C[NH+]1CC2CC2C1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029713483	0	50	0.0	-69.09	384.76	4.60	-64.49
O=C(CC1([NH+]2CCCC2)CC1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029713496	0	56	0.0	-63.67	411.44	5.50	-58.17
C[N@@H+]1CCCCC1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029713535	0	52	0.0	-65.73	385.24	4.22	-61.51
C[N@H+]1CCCCC1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029713535	1	52	0.0	-64.15	388.17	4.27	-59.88
C[N@@H+]1CCC(=CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029713658	0	50	0.0	-74.46	387.51	4.35	-70.11
C[N@H+]1CCC(=CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029713658	1	50	0.0	-76.30	383.65	4.31	-71.99
O=C(CNC1=CC=[NH+]C=C1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029713663	0	48	0.0	-66.18	379.68	1.85	-64.33
CC[NH+]1CCN(CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029713720	0	57	0.0	-62.58	420.73	2.74	-59.84
O=C(C=C1C[NH+]2CCC1CC2)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029713723	0	54	0.0	-67.82	403.59	5.14	-62.68
C[NH+](C)C1(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CCCC1	REAL300029713761	0	55	0.0	-70.23	380.21	3.60	-66.63
C[N@H+](CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[C@@H]1CCC[C@H]1O	REAL300029713772	0	56	0.0	-63.71	416.18	2.05	-61.66
C[N@@H+](CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[C@@H]1CCC[C@H]1O	REAL300029713772	1	56	0.0	-64.78	416.79	2.16	-62.62
CCC1C[NH+](CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029713778	1	52	0.0	-67.60	398.99	4.55	-63.05
O=C(NC12CC1CN(C(=O)C1([NH+]3CCCC3)CCC1)CCC2)C1=CC(=O)[N-]O1	REAL300029713782	0	56	0.0	-65.50	401.51	4.68	-60.82
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029713796	0	49	0.0	-64.74	364.26	3.43	-61.31
C[N@H+]1CCC[C@H]1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029713796	1	49	0.0	-73.63	367.09	3.70	-69.93
CC[N@@H+]1CCOCC1CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029713827	0	56	0.0	-72.50	412.04	3.15	-69.35
NC1=CC=C(CCC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C=[NH+]1	REAL300029713867	0	51	0.0	-66.71	405.29	3.24	-63.47
O=C(CC1=CC2=C[NH+]=CN2C=C1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029713873	0	50	0.0	-68.59	403.70	6.95	-61.64
NC1=[NH+]C2=CC(C(=O)N3CCCC4(NC(=O)C5=CC(=O)[N-]O5)CC4C3)=CC=C2N1	REAL300029713917	1	49	0.0	-66.40	388.72	3.59	-62.81
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029713955	0	52	0.0	-66.77	397.13	4.42	-62.35
C[NH+](C)C1CCC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029713970	0	58	0.0	-69.51	418.09	5.18	-64.33
C[NH+](C)CCC1(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029713971	0	55	0.0	-76.50	420.51	5.06	-71.44
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029713973	0	58	0.0	-59.51	414.37	5.10	-54.41
C[N@@H+]1CC=CCC1CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029713974	0	53	0.0	-65.65	394.62	4.79	-60.86
C[N@H+]1CC=CCC1CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029713974	1	53	0.0	-62.02	394.71	4.74	-57.28
CC1=CC(C=CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)=C[NH+]=C1N	REAL300029714024	1	52	0.0	-77.53	410.17	3.70	-73.83
C[NH+](C)CCOCC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029714037	0	52	0.0	-68.62	402.05	3.83	-64.79
CCCCC[N@H+](C)CCC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029714043	0	60	0.0	-69.56	450.87	6.28	-63.28
CCCCC[N@@H+](C)CCC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029714043	1	60	0.0	-69.90	450.86	6.27	-63.63
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)O1	REAL300029714055	0	56	0.0	-68.29	421.91	4.56	-63.73
[NH2+]=C1SC=CN1CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029714080	0	45	0.0	-61.01	373.36	2.89	-58.12
C[C@@H](OCC[NH+](C)C)C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029714154	0	55	0.0	-70.52	414.28	4.12	-66.40
O=C(CC[NH+]1CCCCCC1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029714198	0	58	0.0	-68.67	417.78	5.52	-63.15
C[N@@H+]1CCCC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029714204	0	52	0.0	-66.10	390.20	4.28	-61.82
C[N@H+]1CCCC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029714204	1	52	0.0	-66.10	390.20	4.28	-61.82
O=C(C[NH+]1CCCCCC1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029714208	0	55	0.0	-67.94	400.47	4.79	-63.15
CN1C=C[N+](CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)=C1	REAL300029714213	0	47	0.0	-63.43	377.50	6.21	-57.22
CN(C)CC1=CC=C(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)O1	REAL300029714231	0	52	0.0	-77.93	408.35	4.53	-73.40
C[NH+](C)CC1=CC=C(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)O1	REAL300029714231	1	52	0.0	-77.93	408.35	4.53	-73.40
O=C(CN1CCC(O)CC1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029714251	0	53	0.0	-64.80	396.79	1.09	-63.71
O=C(C[NH+]1CCC(O)CC1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029714251	1	53	0.0	-64.80	396.79	1.09	-63.71
C[N@H+](CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)C1CC1	REAL300029714256	0	49	0.0	-64.29	375.69	4.10	-60.19
CC(C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)N1CCN(C)CC1	REAL300029714258	0	57	0.0	-64.68	409.70	2.05	-62.63
CC(C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)N1CC[NH+](C)CC1	REAL300029714258	1	57	0.0	-64.68	409.70	2.05	-62.63
O=C(CC[N@H+]1CCC(F)C1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029714261	0	52	0.0	-73.29	400.53	4.58	-68.71
COC1C[N@H+](C)C(C)(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029714272	0	56	0.0	-67.95	410.45	2.44	-65.51
CC(CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)C[NH+](C)C	REAL300029714292	0	54	0.0	-69.26	403.46	4.75	-64.51
O=C(NC12CC1CN(C(=O)C1CC[N@@H+]3CCOCC13)CCC2)C1=CC(=O)[N-]O1	REAL300029714308	0	54	0.0	-67.94	398.63	2.76	-65.18
O=C(NC12CC1CN(C(=O)C1CC[N@H+]3CCOCC13)CCC2)C1=CC(=O)[N-]O1	REAL300029714308	1	54	0.0	-67.94	398.63	2.76	-65.18
CN1CCOCC1CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029714330	0	53	0.0	-66.99	389.04	2.48	-64.51
C[N@@H+]1CCOCC1CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029714330	1	53	0.0	-75.70	399.07	2.59	-73.11
C[N@H+]1CCOCC1CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029714330	1	53	0.0	-75.70	399.07	2.59	-73.11
CC1=CC(N)=NC=C1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029714393	0	48	0.0	-63.63	376.99	1.90	-61.73
CC1=CC(N)=[NH+]C=C1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029714393	1	48	0.0	-63.63	376.99	1.90	-61.73
CC1(O)CC[N@H+](CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029714437	0	53	0.0	-70.46	405.19	1.15	-69.31
C[NH+]1CC(CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029714472	0	49	0.0	-66.56	377.57	3.56	-63.00
O=C(NC12CC1CN(C(=O)C1CC[N@@H+]1C1CCCC1)CCC2)C1=CC(=O)[N-]O1	REAL300029714477	0	56	0.0	-64.15	413.58	5.28	-58.87
C[N@H+](CCO)CCC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029714514	0	52	0.0	-62.83	394.38	0.61	-62.22
C[N@@H+](CCO)CCC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029714514	1	52	0.0	-62.83	394.38	0.61	-62.22
C[N@@H+]1CCCCC1CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029714537	0	55	0.0	-71.93	407.74	4.97	-66.96
C[N@H+]1CCCCC1CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029714537	1	55	0.0	-71.93	407.74	4.97	-66.96
CC1=C2C=C(C(=O)N3CCCC4(NC(=O)C5=CC(=O)[N-]O5)CC4C3)C=CN2C=N1	REAL300029714559	0	50	0.0	-77.48	390.56	6.25	-71.23
CC1=C2C=C(C(=O)N3CCCC4(NC(=O)C5=CC(=O)[N-]O5)CC4C3)C=CN2C=[NH+]1	REAL300029714559	1	50	0.0	-77.48	390.56	6.25	-71.23
CC1CCN1CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029714564	0	49	0.0	-64.82	372.55	3.64	-61.18
CC1CC[N@@H+]1CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029714564	1	49	0.0	-67.29	374.22	3.55	-63.74
CC1CC[N@H+]1CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029714564	1	49	0.0	-67.29	374.22	3.55	-63.74
C[NH+](C)CC=CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029714578	0	49	0.0	-72.08	380.53	3.86	-68.22
CC1(C)CN(CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029714591	0	52	0.0	-66.98	396.66	4.27	-62.71
CC1(C)C[NH+](CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029714591	1	52	0.0	-66.98	396.66	4.27	-62.71
CC1=C(C)NC(CCC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)=N1	REAL300029714610	0	53	0.0	-62.00	417.45	4.08	-57.92
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)N1	REAL300029714610	1	53	0.0	-62.00	417.45	4.08	-57.92
CC1=C2C=C(C(=O)N3CCCC4(NC(=O)C5=CC(=O)[N-]O5)CC4C3)C=CN2C=N1	REAL300029714621	0	50	0.0	-77.48	390.56	6.25	-71.23
CC1=C2C=C(C(=O)N3CCCC4(NC(=O)C5=CC(=O)[N-]O5)CC4C3)C=CN2C=[NH+]1	REAL300029714621	1	50	0.0	-77.48	390.56	6.25	-71.23
C[NH+](C)CCSCC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029714631	0	52	0.0	-72.06	413.17	4.72	-67.34
O=C(C[N@H+]1CCCC1CO)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029714657	0	53	0.0	-68.60	398.36	0.82	-67.78
CC[NH+](CC)CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029714661	0	51	0.0	-65.27	377.77	3.75	-61.52
C[N@H+](CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)C1CCSC1	REAL300029714672	0	53	0.0	-62.83	403.25	4.83	-58.00
O=C(CN1CCC1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029714674	0	46	0.0	-69.04	359.43	3.20	-65.84
O=C(C[NH+]1CCC1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029714674	1	46	0.0	-69.04	359.43	3.20	-65.84
CC[NH+](CC)CCC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029714725	0	54	0.0	-67.86	399.98	4.38	-63.48
O=C(NC12CC1CN(C(=O)C1CC3COCC[N@@H+]3C1)CCC2)C1=CC(=O)[N-]O1	REAL300029714817	0	54	0.0	-65.71	400.72	2.96	-62.75
O=C(NC12CC1CN(C(=O)C1CC3COCC[N@H+]3C1)CCC2)C1=CC(=O)[N-]O1	REAL300029714817	1	54	0.0	-65.71	400.72	2.96	-62.75
CC(C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)N1CCC1	REAL300029714832	0	49	0.0	-69.38	362.06	3.25	-66.13
CC(C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+]1CCC1	REAL300029714832	1	49	0.0	-69.38	362.06	3.25	-66.13
CCC(CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)C[NH+](C)C	REAL300029714839	0	57	0.0	-68.19	417.21	5.25	-62.94
C[NH+](C)CC(C)(C)C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029714847	0	54	0.0	-58.47	372.62	3.93	-54.54
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029714911	0	52	0.0	-65.62	372.18	3.76	-61.86
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029714911	1	52	0.0	-64.72	383.40	4.18	-60.54
CC1CN2CC[N@@H+]1CC2C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029714926	0	55	0.0	-73.02	396.17	1.35	-71.67
CC1CN2CC[N@H+]1CC2C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029714926	1	55	0.0	-66.02	394.62	1.21	-64.81
C[NH+](C)CC(O)CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029714947	0	52	0.0	-71.60	398.93	1.75	-69.85
C[NH+]1C2CCC1CC(C(=O)N1CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C1)C2	REAL300029714950	0	56	0.0	-64.13	399.64	4.63	-59.50
C=CCC(C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029714983	0	52	0.0	-66.48	387.39	4.17	-62.31
O=C(NC12CC1CN(C(=O)C1CC3CCCC[N@@H+]3C1)CCC2)C1=CC(=O)[N-]O1	REAL300029714993	0	56	0.0	-72.01	413.30	5.28	-66.73
O=C(NC12CC1CN(C(=O)C1CC3CCCC[N@H+]3C1)CCC2)C1=CC(=O)[N-]O1	REAL300029714993	1	56	0.0	-62.61	407.49	5.20	-57.41
C[NH+]1CCC(C)(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029715004	0	55	0.0	-70.21	394.09	4.16	-66.05
C[NH+]1CCC(O)(CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029715006	0	56	0.0	-70.03	414.44	2.94	-67.09
CC1=C2C=C(C(=O)NC34CC3CN(C(=O)C3=CC(=O)[N-]O3)CCC4)C=CN2C=[NH+]1	REAL300029715082	1	50	0.0	-79.73	391.52	6.52	-73.21
C[NH+](C)CCSCC(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029715090	0	52	0.0	-79.42	406.08	4.36	-75.06
O=C(NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CC2COCC[N@@H+]2C1	REAL300029715097	0	54	0.0	-67.45	403.32	2.89	-64.56
O=C(NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CC2COCC[N@H+]2C1	REAL300029715097	1	54	0.0	-66.55	402.81	2.94	-63.61
C[NH+](C)CC(=O)N1CCCC(C23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029715252	0	55	0.0	-74.94	396.93	5.68	-69.26
C[C@@H](C(=O)N1CCCC(C23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029715260	0	58	0.0	-75.41	413.25	6.10	-69.31
C[C@@H](C(=O)N1CCCC(C23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029715275	0	58	0.0	-75.41	413.25	6.10	-69.31
O=C(C[NH+]1CCC1)N1CCCC(C23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029715284	1	56	0.0	-73.53	408.23	6.29	-67.24
C[C@H](C(=O)N1CCCC(C23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029715289	0	58	0.0	-73.23	413.85	6.18	-67.05
CC[N@H+](C)CC(=O)N1CCCC(C23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029715302	0	58	0.0	-74.47	414.66	6.35	-68.12
CC[N@@H+](C)CC(=O)N1CCCC(C23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029715302	1	58	0.0	-74.44	414.66	6.34	-68.10
C[C@@H](C(=O)N1CCC2CCC21C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029715530	0	58	0.0	-66.91	409.73	5.70	-61.21
CC[N@H+](C)CC(=O)N1CCC2CCC21C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029715551	0	58	0.0	-75.37	415.24	6.36	-69.01
CC[N@@H+](C)CC(=O)N1CCC2CCC21C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029715551	1	58	0.0	-74.45	414.72	6.39	-68.06
C[C@H](C(=O)N1CCC2CCC21C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029715565	0	58	0.0	-72.33	413.80	6.10	-66.23
C[NH+](C)CC(=O)N1CCC2CCC21C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029715623	0	55	0.0	-66.86	396.61	5.52	-61.34
C[C@@H](C(=O)N1CCC2CCC21C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029715626	0	58	0.0	-66.91	409.73	5.70	-61.21
O=C(C[NH+]1CCC1)N1CCC2CCC21C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029715632	1	56	0.0	-76.17	407.60	6.11	-70.06
C[N@@H+]1CCCC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029715767	0	42	0.0	-63.31	336.08	1.29	-62.02
C[N@H+]1CCCC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029715767	1	42	0.0	-62.09	336.42	1.40	-60.69
CC(C)C1=[NH+]C=CN1CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029715968	1	49	0.0	-61.13	395.47	3.50	-57.63
CC(C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300029715972	0	51	0.0	-61.49	380.09	2.77	-58.72
CC(C)[N@@H+]1CCCC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029716006	0	48	0.0	-59.67	356.39	2.34	-57.33
CC(C)[N@H+]1CCCC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029716006	1	48	0.0	-58.95	356.87	2.19	-56.76
CC1(NC(=O)C2CC3CCCC[N@@H+]3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029716031	0	49	0.0	-60.04	377.91	3.08	-56.96
CC1(NC(=O)C2CC3CCCC[N@H+]3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029716031	1	49	0.0	-62.13	377.49	3.04	-59.09
CC(C)C1=[NH+]C=CN1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029716061	1	46	0.0	-61.00	375.90	3.07	-57.93
CC1=[NH+]C=CN1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029716112	1	40	0.0	-62.91	339.62	1.89	-61.02
CC(C[NH+]1CCOCC1)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029716114	1	49	0.0	-65.68	380.83	1.12	-64.56
CC1(NC(=O)CCC[NH+]2CCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029716132	0	51	0.0	-66.69	395.66	3.51	-63.18
CC1(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029716171	0	55	0.0	-66.62	416.13	4.21	-62.41
CC1(NC(=O)C2CC[N@H+](C3CCCCC3)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029716171	1	55	0.0	-66.42	415.67	4.21	-62.21
CC1(NC(=O)C2C[NH+]3CCC2CC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029716188	0	46	0.0	-74.21	351.29	2.15	-72.06
CC1(NC(=O)C2CCCC3CCC[N@@H+]32)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029716249	0	49	0.0	-58.73	374.98	3.16	-55.57
CC1(NC(=O)C2CCCC3CCC[N@H+]32)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029716249	1	49	0.0	-60.61	366.52	2.89	-57.72
C[NH+](C)CCN1C=C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300029716251	0	48	0.0	-74.82	394.43	1.74	-73.08
C[NH+](C)CCN1C=CC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029716265	0	48	0.0	-75.53	394.81	1.77	-73.76
C[C@@H]1[C@H](C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029716272	0	45	0.0	-70.32	346.74	1.23	-69.09
C[C@@H]1[C@H](C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029716272	1	45	0.0	-69.77	352.96	1.60	-68.17
CCC1=[NH+]C=CN1C(C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029716275	1	49	0.0	-61.74	396.10	3.54	-58.20
CC[C@@H]1[C@@H](C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029716278	0	48	0.0	-69.80	367.08	2.04	-67.76
CC[C@@H]1[C@@H](C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029716278	1	48	0.0	-61.53	371.38	2.53	-59.00
CC[N@@H+]1CCOC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029716304	1	46	0.0	-72.43	358.23	1.10	-71.33
CC[N@H+]1CCOC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029716304	1	46	0.0	-56.15	358.20	1.09	-55.06
CC[NH+](CC)CC(F)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029716363	0	47	0.0	-69.88	373.46	2.28	-67.60
CC1CCC(C)[NH+]1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029716466	0	48	0.0	-60.79	367.25	2.15	-58.64
CC1(NC(=O)CCC[NH+]2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029716476	0	48	0.0	-66.64	380.01	2.80	-63.84
C[NH+](C)CC1=CC=CC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029716477	0	48	0.0	-69.69	388.29	3.83	-65.86
C#CC[NH+]1CCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029716485	0	47	0.0	-70.49	379.44	3.08	-67.41
CC1(NC(=O)CC[NH+]2CCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029716486	0	48	0.0	-65.63	374.18	2.69	-62.94
CC(C)C[N@@H+]1CCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029716522	0	51	0.0	-63.87	394.99	3.24	-60.63
CC(C)C[N@H+]1CCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029716522	1	51	0.0	-66.29	394.45	3.26	-63.03
CC(C)[N@@H+]1CCCC1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029716534	0	51	0.0	-65.91	381.98	2.61	-63.30
CC(C)[N@H+]1CCCC1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029716534	1	51	0.0	-63.89	380.69	2.51	-61.38
C[N@H+](CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029716621	0	45	0.0	-62.79	356.24	2.33	-60.46
C[N@@H+](CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029716621	1	45	0.0	-63.48	356.37	2.27	-61.21
CC(C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300029716706	0	51	0.0	-58.19	378.46	2.49	-55.70
CN(CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300029716779	0	47	0.0	-60.19	384.63	1.93	-58.26
C[N@@H+]1CCCC1CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029716801	0	48	0.0	-69.68	377.59	2.86	-66.82
C[N@H+]1CCCC1CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029716801	1	48	0.0	-67.37	372.11	2.38	-64.99
CC1(NC(=O)C2CCC3CCCC[N@@H+]32)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029716819	0	49	0.0	-58.94	377.95	3.23	-55.71
CC1(NC(=O)C2CCC3CCCC[N@H+]32)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029716819	1	49	0.0	-63.32	370.78	2.83	-60.49
CC[NH+](CC)CC1=CC=C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029716844	0	51	0.0	-68.24	410.34	3.52	-64.72
CC1(NC(=O)CCCC[NH+]2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029716849	0	51	0.0	-67.44	401.49	3.59	-63.85
C[N@H+](CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029716852	1	48	0.0	-68.56	386.85	3.85	-64.71
C[N@@H+](CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029716852	1	48	0.0	-69.30	386.86	3.93	-65.37
C[NH+]1CCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029716868	0	45	0.0	-70.71	354.76	1.94	-68.77
C[NH+](C)CC1=CC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300029716919	1	44	0.0	-77.13	369.30	1.29	-75.84
CC1=C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300029716921	0	43	0.0	-66.89	354.24	4.13	-62.76
CC1(NC(=O)C2=CN3C=[NH+]C=C3C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029717151	0	40	0.0	-68.29	340.30	3.85	-64.44
CC1=[NH+]C=CN1CCCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029717167	1	46	0.0	-64.83	381.14	3.16	-61.67
CC1(NC(=O)CCCC[NH+]2CCOCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029717171	1	52	0.0	-70.36	408.44	1.85	-68.51
C[NH+](C)CC1=CC=C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300029717175	0	48	0.0	-72.75	388.26	3.76	-68.99
CC1(NC(=O)CC[NH+]2CCOCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029717176	1	46	0.0	-68.38	365.43	0.28	-68.10
CCC[NH+](CCC)CCCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029717198	0	56	0.0	-66.94	432.73	4.48	-62.46
CC1=C[NH+]=CN1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029717222	1	40	0.0	-62.40	339.95	2.61	-59.79
CC1(NC(=O)CN2C=[NH+]C3=C2CCCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029717235	1	47	0.0	-66.59	381.74	4.42	-62.17
C[NH+](C)CC1(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCCC1	REAL300029717268	0	54	0.0	-78.18	389.93	3.79	-74.39
C[N@H+](CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300029717272	0	54	0.0	-67.02	408.48	3.92	-63.10
C[N@@H+](CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300029717272	1	54	0.0	-67.41	408.58	3.87	-63.54
C[NH+](C)C1CCCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029717318	0	51	0.0	-66.24	388.97	3.17	-63.07
C[N@@H+]1CCC(CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029717325	0	45	0.0	-69.42	357.05	1.90	-67.52
C[N@H+]1CCC(CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029717325	1	45	0.0	-68.70	357.15	1.94	-66.76
CCC(C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029717342	0	44	0.0	-65.42	340.89	1.22	-64.20
C[NH+](C)C1(CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029717363	0	51	0.0	-68.56	370.15	2.62	-65.94
CC1(NC(=O)C2=CC3=C[NH+]=CN3C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029717428	1	40	0.0	-71.40	340.58	3.84	-67.56
CC1(NC(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029717470	1	43	0.0	-77.55	369.83	1.71	-75.84
C[NH+](C)CCCCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029717499	0	47	0.0	-68.97	375.54	2.40	-66.57
CCC[N@H+](C)CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029717520	0	47	0.0	-66.93	371.76	2.23	-64.70
CCC[N@@H+](C)CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029717520	1	47	0.0	-67.16	371.77	2.23	-64.93
CCC[N@H+](C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029717525	0	44	0.0	-65.23	349.38	1.75	-63.48
CCC[N@@H+](C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029717525	1	44	0.0	-64.60	349.41	1.68	-62.92
CC1(NC(=O)C23CC[N@H+](C2)CCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029717550	0	46	0.0	-66.37	351.97	1.57	-64.80
CC1(NC(=O)C23CC[N@@H+](C2)CCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029717550	1	46	0.0	-72.01	351.00	1.59	-70.42
C[N@@H+]1CCC[C@@H]1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029717611	0	42	0.0	-60.40	330.36	0.88	-59.52
C[N@H+]1CCC[C@@H]1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029717611	1	42	0.0	-62.08	336.43	1.40	-60.68
CC1CC2CCC(C(=O)NC3(C)CN(C(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300029717640	0	52	0.0	-58.38	392.26	3.83	-54.55
CC1CC2CCC(C(=O)NC3(C)CN(C(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300029717640	1	52	0.0	-64.22	398.06	3.60	-60.62
CCCCCC[N@H+](C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029717689	0	53	0.0	-66.30	413.87	4.10	-62.20
CCCCCC[N@@H+](C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029717689	1	53	0.0	-66.53	413.87	4.09	-62.44
CC[NH+](CC)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029717712	0	44	0.0	-63.62	341.80	1.42	-62.20
CCC[N@@H+]1CCCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029717737	0	51	0.0	-59.87	387.64	3.57	-56.30
CCC[N@H+]1CCCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029717737	1	51	0.0	-62.36	387.66	3.47	-58.89
CC(C)[N@@H+]1CCOC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029717754	1	49	0.0	-71.13	375.26	1.70	-69.43
CC(C)[N@H+]1CCOC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029717754	1	49	0.0	-57.32	374.96	1.70	-55.62
CC1CC[NH+](CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029717794	0	48	0.0	-65.36	372.71	2.84	-62.52
CC1(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029717822	1	43	0.0	-75.71	369.44	1.78	-73.93
C[NH+]1CCC(OCC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029717830	0	49	0.0	-73.30	390.11	2.26	-71.04
C[NH+](C)CC1(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029717848	0	45	0.0	-74.51	356.04	2.06	-72.45
CC1=[NH+]C=C2CCC(C(=O)NC3(C)CN(C(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300029717849	1	47	0.0	-61.55	378.51	3.09	-58.46
CC(C)[NH+]1CCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029717941	0	51	0.0	-67.95	385.41	2.88	-65.07
C[NH+]1CCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029717968	0	45	0.0	-70.71	354.76	1.94	-68.77
CCC(C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029718005	0	50	0.0	-58.42	376.30	2.58	-55.84
CC[N@H+](C)CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718101	0	44	0.0	-66.32	350.27	1.46	-64.86
CC[N@@H+](C)CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718101	1	44	0.0	-66.52	350.27	1.48	-65.04
CC1CCC[N@@H+]1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718173	0	45	0.0	-62.55	349.09	1.71	-60.84
CC1CCC[N@H+]1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718173	1	45	0.0	-62.94	355.52	2.13	-60.81
CC1CC[N@H+](CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029718176	0	45	0.0	-64.91	356.64	1.99	-62.92
CC1CC[N@@H+](CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029718176	1	45	0.0	-64.79	356.24	2.11	-62.68
CC(C)(C)[N@@H+]1CCC(F)(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029718177	0	51	0.0	-65.77	392.41	2.63	-63.14
CC(C)(C)[N@H+]1CCC(F)(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029718177	1	51	0.0	-58.46	392.17	2.64	-55.82
CC1=[NH+]C=C2CC(C(=O)NC3(C)CN(C(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300029718178	1	47	0.0	-65.08	378.65	3.07	-62.01
C[NH+](C)CCC1=CC=C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300029718180	0	51	0.0	-74.48	410.77	4.61	-69.87
CC1(NC(=O)C[N@@H+]2CCC(C)(C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718182	0	48	0.0	-64.09	375.72	2.51	-61.58
CC1(NC(=O)C[N@H+]2CCC(C)(C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718182	1	48	0.0	-64.42	375.18	2.59	-61.83
C[N@H+](CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029718183	0	50	0.0	-64.33	379.77	2.86	-61.47
C[N@@H+](CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029718183	1	50	0.0	-65.35	379.93	2.91	-62.44
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718184	0	51	0.0	-69.46	409.28	4.78	-64.68
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718184	1	51	0.0	-68.89	409.33	4.69	-64.20
CC[C@@H](C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029718193	0	44	0.0	-61.32	343.93	1.85	-59.47
CC(COCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300029718200	0	52	0.0	-66.33	408.75	2.92	-63.41
CC1(NC(=O)C2CC[NH+](CC3CC3)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718300	0	52	0.0	-70.09	403.93	4.14	-65.95
C[NH+]1CCC(O)(CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029718435	0	49	0.0	-65.91	380.69	0.57	-65.34
COCC[N@@H+]1CCCC1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718441	0	52	0.0	-67.29	399.38	1.65	-65.64
COCC[N@H+]1CCCC1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718441	1	52	0.0	-66.25	401.52	1.38	-64.87
CC1(NC(=O)C[NH+]2CCC(CO)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718452	0	49	0.0	-68.83	383.95	-0.48	-69.31
CC1(NC(=O)C[NH+]2CCCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718456	0	48	0.0	-65.06	363.34	2.74	-62.32
CN1C=C[N+](CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029718461	0	40	0.0	-64.06	341.43	3.77	-60.29
C[N@@H+]1CCCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029718473	0	45	0.0	-59.84	348.69	2.17	-57.67
C[N@H+]1CCCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029718473	1	45	0.0	-67.64	354.72	1.89	-65.75
CC1(NC(=O)C2CCC[N@@H+]2C2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718477	0	46	0.0	-66.00	362.79	2.34	-63.66
CC1(NC(=O)C2CCC[N@H+]2C2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718477	1	46	0.0	-60.04	356.46	1.97	-58.07
CC(C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029718510	1	42	0.0	-62.43	338.35	1.44	-60.99
CCC(CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029718522	0	50	0.0	-66.04	385.41	2.89	-63.15
CC1(NC(=O)C[NH+]2CCC(O)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718573	1	46	0.0	-68.58	362.96	-1.20	-69.78
C[N@H+](CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029718575	0	42	0.0	-61.76	339.40	1.69	-60.07
C[N@@H+](CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029718575	1	42	0.0	-62.24	339.56	1.68	-60.56
CC(C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300029718576	1	50	0.0	-68.52	381.08	0.08	-68.44
C[NH+]1CC(CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029718606	0	42	0.0	-68.40	341.57	1.09	-67.31
CC1(NC(=O)C2CC[N@@H+]2C2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718610	0	49	0.0	-65.34	382.69	3.23	-62.11
CC1(NC(=O)C2CC[N@H+]2C2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718610	1	49	0.0	-64.34	381.00	3.12	-61.22
CC(C)(C)[N@@H+]1CCC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718618	0	48	0.0	-61.00	371.61	2.05	-58.95
CC(C)(C)[N@H+]1CCC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718618	1	48	0.0	-63.41	355.87	1.40	-62.01
CC1(NC(=O)C2CCN(C3=CC=[NH+]C=C3)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718629	0	48	0.0	-68.17	388.47	1.05	-67.12
CCC1CCC[N@H+](CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029718681	0	51	0.0	-64.93	384.36	3.42	-61.51
CCC1CCC[N@@H+](CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029718681	1	51	0.0	-63.16	383.88	3.01	-60.15
C[NH+](C)CC1=CC=C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029718690	0	46	0.0	-71.64	376.74	1.69	-69.95
C[NH+]1C2CCC1CC(CC(=O)NC1(C)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029718704	0	52	0.0	-61.52	375.83	2.72	-58.80
C[NH+](C)C(CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029718709	0	51	0.0	-73.10	400.36	4.36	-68.74
CC1(NC(=O)CN2C=CSC2=[NH2+])CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718748	0	38	0.0	-62.26	337.25	0.45	-61.81
C[N@H+](CCO)CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718757	0	45	0.0	-67.46	360.62	-1.74	-69.20
C[N@@H+](CCO)CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718757	1	45	0.0	-65.44	360.59	-1.76	-67.20
C[N@@H+]1CCCC[C@@H]1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718762	0	45	0.0	-65.99	342.81	1.69	-64.30
C[N@H+]1CCCC[C@@H]1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718762	1	45	0.0	-64.76	352.09	1.85	-62.91
CC1CN2CC[N@@H+]1CC2C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718769	0	48	0.0	-73.01	362.92	-0.68	-73.69
CC1CN2CC[N@H+]1CC2C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718769	1	48	0.0	-61.35	363.20	-0.69	-62.04
CC1(NC(=O)CC2=CC3=C[NH+]=CN3C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718828	0	43	0.0	-66.42	364.54	4.46	-61.96
C[N@H+](CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029718857	0	46	0.0	-72.03	369.67	2.50	-69.53
C[N@@H+](CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029718857	1	46	0.0	-68.37	369.46	2.51	-65.86
C[NH+](C)CC1=CC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC=N1	REAL300029718894	1	47	0.0	-69.30	384.31	2.29	-67.01
C[N@@H+]1CCC(=CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029718895	0	43	0.0	-70.15	348.02	1.83	-68.32
C[N@H+]1CCC(=CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029718895	1	43	0.0	-70.21	348.03	1.85	-68.36
CC1(NC(=O)C2C[NH+](C3CCCCC3)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718921	0	52	0.0	-68.25	401.82	3.72	-64.53
C[NH+](C)CCOCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718937	0	45	0.0	-68.19	366.03	1.23	-66.96
CCCCC[N@H+](C)CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718945	0	53	0.0	-67.75	414.75	3.79	-63.96
CCCCC[N@@H+](C)CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718945	1	53	0.0	-68.36	414.74	3.86	-64.50
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029718955	0	49	0.0	-68.51	387.35	2.39	-66.12
C=CCC(C)(C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029718967	0	48	0.0	-61.53	365.52	2.30	-59.23
C[S+](C)CCC(O)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718972	0	44	0.0	-61.22	374.99	-0.17	-61.39
CN1CC[N@H+](C)CC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029719016	0	50	0.0	-66.90	381.18	0.10	-66.80
CN1CC[N@@H+](C)CC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029719016	1	50	0.0	-66.90	381.18	0.10	-66.80
CC(C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300029719017	0	49	0.0	-60.74	381.00	-0.76	-61.50
C[N@@H+]1CCCC(O)(CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029719044	0	49	0.0	-66.08	367.89	0.52	-65.56
C[N@H+]1CCCC(O)(CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029719044	1	49	0.0	-66.08	367.89	0.52	-65.56
CC1CN(CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029719048	0	42	0.0	-64.44	340.24	1.43	-63.01
CC1C[NH+](CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029719048	1	42	0.0	-64.44	340.24	1.43	-63.01
CN(CCO)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719075	0	42	0.0	-67.01	338.23	-2.22	-69.23
C[N@H+](CCO)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719075	1	42	0.0	-65.57	338.05	-2.30	-67.87
C[N@@H+](CCO)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719075	1	42	0.0	-65.57	338.05	-2.30	-67.87
C[NH+]1C2CCC1CC(=CC(=O)NC1(C)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029719101	0	50	0.0	-66.86	383.22	3.28	-63.58
CC1(NC(=O)C2C[N@@H+]3CCN2CCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719105	0	48	0.0	-62.33	358.27	-0.42	-62.75
CC1(NC(=O)C2C[N@H+]3CCN2CCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719105	1	48	0.0	-62.33	358.27	-0.42	-62.75
CC[N@@H+]1CCCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029719114	0	48	0.0	-66.20	372.40	2.62	-63.58
CC[N@H+]1CCCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029719114	1	48	0.0	-66.20	372.40	2.62	-63.58
CC(CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029719116	0	47	0.0	-67.06	367.35	2.27	-64.79
CC[N@H+](CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029719192	0	45	0.0	-62.19	356.22	2.29	-59.90
CC[NH+](CC)CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719210	0	47	0.0	-65.33	368.12	2.17	-63.16
CC1(C)CN(CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029719247	0	45	0.0	-64.82	360.56	1.92	-62.90
CC1(C)C[NH+](CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029719247	1	45	0.0	-64.82	360.56	1.92	-62.90
CC1(NC(=O)CCCC[NH+]2CCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719253	0	54	0.0	-68.08	416.69	4.33	-63.75
CC1(NC(=O)C[N@@H+]2CCC(C)(O)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719283	0	46	0.0	-64.30	366.63	-1.26	-65.56
C[NH+](C)CC=CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719293	0	42	0.0	-68.30	346.13	1.47	-66.83
CC(OCC[NH+](C)C)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719314	0	48	0.0	-67.36	385.02	1.97	-65.39
C[NH+](C)CCOCCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719326	0	48	0.0	-65.54	387.00	1.06	-64.48
COCCN(C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719327	0	45	0.0	-65.95	360.30	0.10	-65.85
COCC[N@H+](C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719327	1	45	0.0	-67.13	360.48	0.18	-66.95
COCC[N@@H+](C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719327	1	45	0.0	-67.13	360.48	0.18	-66.95
COCCCC[N@H+](C)CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719359	0	54	0.0	-70.80	426.94	2.08	-68.72
COCCCC[N@@H+](C)CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719359	1	54	0.0	-70.80	426.94	2.08	-68.72
CC(CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029719383	0	47	0.0	-65.97	363.81	2.00	-63.97
CCN1CCC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719393	0	42	0.0	-62.07	334.69	1.00	-61.07
CC[N@@H+]1CCC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719393	1	42	0.0	-64.35	341.81	1.37	-62.98
CC[N@H+]1CCC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719393	1	42	0.0	-64.35	341.81	1.37	-62.98
CC(C)[N@@H+]1CCCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029719408	0	51	0.0	-61.84	382.78	3.34	-58.50
CC(C)[N@H+]1CCCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029719408	1	51	0.0	-61.84	382.78	3.34	-58.50
CN1C=CN=C1N1CCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029719409	0	49	0.0	-65.15	397.44	2.65	-62.50
CN1C=C[NH+]=C1N1CCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029719409	1	49	0.0	-65.15	397.44	2.65	-62.50
CC(C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300029719415	0	51	0.0	-67.07	404.89	4.34	-62.73
CC1(NC(=O)C[N@@H+]2CCCC2CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719424	0	46	0.0	-63.68	364.79	-1.01	-64.69
CC1(NC(=O)C2CC3CCCC[N@@H+]3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719450	0	49	0.0	-62.13	377.49	3.04	-59.09
CC1(NC(=O)C2CC3CCCC[N@H+]3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719450	1	49	0.0	-62.13	377.49	3.04	-59.09
C=CCC(C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029719498	0	45	0.0	-63.58	352.93	1.84	-61.74
C[NH+](C)C12CCC(C(=O)NC3(C)CN(C(=O)C4=CC(=O)[N-]O4)C3)(CC1)CC2	REAL300029719506	0	55	0.0	-71.96	400.02	3.58	-68.38
C[N@@H+]1CC(C)(C)CC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719512	0	48	0.0	-58.52	370.56	1.86	-56.66
C[N@H+]1CC(C)(C)CC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719512	1	48	0.0	-58.52	370.56	1.86	-56.66
C[NH+](C)CCCCCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719517	0	50	0.0	-69.21	397.04	3.18	-66.03
CC1C[N@@H+](C2CCC2C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCO1	REAL300029719546	0	53	0.0	-57.45	393.39	2.25	-55.20
CC1C[N@@H+]2CCN1C(C(=O)NC1(C)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029719571	0	48	0.0	-63.29	363.03	-0.62	-63.91
CCCC(C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029719573	0	47	0.0	-68.77	365.40	2.70	-66.07
CC[NH+](CC)CCSCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719621	0	51	0.0	-69.43	412.76	3.56	-65.87
C[N@@H+]1CCCCC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719630	0	45	0.0	-64.79	352.12	1.86	-62.93
C[N@H+]1CC=C(CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029719684	0	46	0.0	-66.02	369.53	2.66	-63.36
C[N@@H+]1CC=C(CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029719684	1	46	0.0	-66.02	369.53	2.66	-63.36
CC1(NC(=O)CC2([NH+]3CCCC3)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719695	0	49	0.0	-63.72	374.13	3.01	-60.71
C[NH+](C)CC1=CC=C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029719754	1	45	0.0	-70.86	374.69	2.15	-68.71
C[NH+](C)CC1=CC=C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300029719759	0	47	0.0	-70.97	384.09	1.99	-68.98
CC1(NC(=O)C2=CC=C(C[NH+]3CCCC3)O2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719769	0	49	0.0	-70.19	400.06	3.28	-66.91
CC1(NC(=O)C=CC[NH+]2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719773	0	46	0.0	-69.41	372.43	2.67	-66.74
CC1(NC(=O)C2CC[NH+](C3CC3)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719798	0	49	0.0	-63.97	379.57	3.13	-60.84
C[N@@H+]1CC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(C(F)(F)F)C1	REAL300029719817	0	45	0.0	-79.79	374.11	2.01	-77.78
C[N@H+]1CC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(C(F)(F)F)C1	REAL300029719817	1	45	0.0	-67.81	374.81	2.09	-65.72
CC1(NC(=O)CC[NH+]2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719822	0	45	0.0	-65.71	358.49	2.00	-63.71
C[NH+]1CC(N2CC(C(=O)NC3(C)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2=O)C1	REAL300029719832	1	50	0.0	-80.32	398.87	1.21	-79.11
CC1(NC(=O)C2C[NH+]3CCN2CC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719873	0	45	0.0	-63.58	346.74	-1.19	-64.77
CC1=C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C=NN1CC[NH+](C)C	REAL300029719896	0	51	0.0	-75.53	411.17	2.30	-73.23
CC1(NC(=O)C[N@@H+]2CC3CCC2C3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719899	0	46	0.0	-62.78	357.00	2.44	-60.34
CC1(NC(=O)C[N@H+]2CC3CCC2C3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719899	1	46	0.0	-63.99	354.75	2.26	-61.73
CC(C)[NH+]1CCC(CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029719915	0	54	0.0	-65.36	407.62	3.82	-61.54
CC1(NC(=O)C=C2C[NH+]3CCC2CC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719964	0	47	0.0	-65.35	366.58	2.73	-62.62
CC1(NC(=O)C[N@@H+]2CC3C=CC2C3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719975	1	44	0.0	-61.29	349.24	2.22	-59.07
CC1(NC(=O)C[N@H+]2CC3C=CC2C3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719975	1	44	0.0	-63.18	349.24	2.14	-61.04
C[NH+](C)CC(C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029720005	0	51	0.0	-65.28	406.23	4.35	-60.93
CC[NH+]1CCN(CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029720007	0	50	0.0	-67.87	386.89	0.51	-67.36
CC(C[NH+](C)C)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720030	0	44	0.0	-66.01	348.58	1.53	-64.48
C[N@@H+]1CCCCC1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720126	0	48	0.0	-66.13	369.40	2.44	-63.69
C[N@H+]1CCCCC1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720126	1	48	0.0	-56.45	362.13	2.41	-54.04
CC1=C2C=C(C(=O)NC3(C)CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029720144	1	43	0.0	-69.28	362.49	4.40	-64.88
CC(C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300029720145	0	45	0.0	-61.17	360.49	2.02	-59.15
CC1CC[N@@H+]1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720149	1	42	0.0	-63.01	336.45	1.23	-61.78
CC1CC[N@H+]1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720149	1	42	0.0	-64.90	341.71	1.43	-63.47
C[NH+](C)CC(O)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720153	0	45	0.0	-70.70	362.86	-0.80	-71.50
CC1C[N@H+](C)CC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029720184	1	46	0.0	-70.35	361.52	0.99	-69.36
CC1C[N@@H+](C)CC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029720184	1	46	0.0	-55.68	361.61	1.20	-54.48
CC1(NC(=O)CC[NH+]2CCC(O)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720196	0	49	0.0	-68.81	384.79	-0.67	-69.48
CCC[N@@H+]1CCCCC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720199	0	51	0.0	-58.79	391.46	3.24	-55.55
CCC[N@H+]1CCCCC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720199	1	51	0.0	-59.41	391.44	3.33	-56.08
CC[NH+]1CCN(CCC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029720203	0	53	0.0	-67.06	408.75	1.02	-66.04
CCN1CC[NH+](CCC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029720203	1	53	0.0	-66.64	408.78	0.92	-65.72
CC1(NC(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720205	0	52	0.0	-68.34	380.47	3.12	-65.22
CC1(NC(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720205	1	52	0.0	-63.56	384.98	3.80	-59.76
CC(C)C[NH+]1CCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029720253	0	54	0.0	-69.30	411.21	4.02	-65.28
C[NH+](C)C1CCN(CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029720274	0	53	0.0	-69.51	403.48	1.05	-68.46
C[NH+](C)[C@H]1C[C@H](C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029720297	0	45	0.0	-62.34	359.90	1.99	-60.35
CC(CC[NH+](C)C)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720307	0	47	0.0	-67.19	370.21	2.15	-65.04
C[N@H+](CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029720339	0	49	0.0	-61.48	380.66	-0.33	-61.81
C[N@@H+](CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029720339	1	49	0.0	-64.10	381.14	-0.46	-64.56
C#CC[N@H+]1CCCCC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720347	1	47	0.0	-59.11	377.67	3.14	-55.97
C#CC[N@@H+]1CCCCC1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720347	1	47	0.0	-64.43	377.70	3.15	-61.28
C[NH+](C)C(CC1=CC=CC=C1)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720352	0	51	0.0	-64.46	403.63	4.85	-59.61
C[NH+]1CCN(CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029720354	1	47	0.0	-69.20	369.15	-0.17	-69.37
CC[NH+]1CCN(CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029720364	0	50	0.0	-67.87	386.89	0.51	-67.36
CC1(NC(=O)CSC(N)=[NH2+])CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720388	0	36	0.0	-66.73	318.69	-2.86	-69.59
CCN1CCOCC1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720436	0	49	0.0	-70.24	373.92	0.65	-69.59
CC[N@@H+]1CCOCC1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720436	1	49	0.0	-65.22	373.52	0.71	-64.51
CC[N@H+]1CCOCC1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720436	1	49	0.0	-65.22	373.52	0.71	-64.51
CC1CCCC(C)[NH+]1CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720454	0	54	0.0	-62.25	404.17	3.39	-58.86
C[NH+](C)C1CCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029720457	0	51	0.0	-71.22	389.01	3.10	-68.12
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029720461	0	51	0.0	-54.07	382.43	3.02	-51.05
C[N@@H+]1CC=CCC1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720462	0	46	0.0	-56.90	356.57	2.33	-54.57
C[N@H+]1CC=CCC1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720462	1	46	0.0	-56.90	356.57	2.33	-54.57
C[C@@H](OCC[NH+](C)C)C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720491	0	48	0.0	-62.28	385.79	1.98	-60.30
C[NH+]1C2CCC1CC(C(=O)NC1(C)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029720524	0	49	0.0	-67.47	347.70	2.56	-64.91
C[NH+]1CCC(O)(C2(C(=O)NC3(C)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029720628	0	53	0.0	-63.94	401.21	1.18	-62.76
CC(C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300029720672	1	46	0.0	-64.15	365.54	2.11	-62.04
CC1(NC(=O)C2C[NH+](C3CCOCC3)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720676	0	50	0.0	-71.16	393.69	1.27	-69.89
C[N@H+]1CCC[C@H]1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720686	1	42	0.0	-67.69	330.38	0.89	-66.80
CC1(NC(=O)CC[N@H+]2CCC(F)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720695	1	45	0.0	-68.59	364.36	2.09	-66.50
CC1(NC(=O)CC[NH+]2CCCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720718	0	51	0.0	-68.82	384.17	2.97	-65.85
CC1(NC(=O)C[NH+]2CCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720722	0	45	0.0	-63.95	351.86	2.15	-61.80
CC1C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029720730	0	45	0.0	-63.10	347.45	1.44	-61.66
CC1C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029720730	1	45	0.0	-68.77	352.23	1.83	-66.94
C[N@@H+]1CCCCC1CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720733	0	51	0.0	-65.24	391.34	3.27	-61.97
C[N@H+]1CCCCC1CCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720733	1	51	0.0	-64.89	391.72	3.27	-61.62
CC1(NC(=O)C2CC[N@@H+]3CCOCC23)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720765	0	47	0.0	-66.02	369.07	0.54	-65.48
CC1(NC(=O)C2CC[N@H+]3CCOCC23)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720765	1	47	0.0	-70.17	369.12	0.55	-69.62
CC1=[NH+]C=C2C=CC(C(=O)NC3(C)CN(C(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300029720773	0	43	0.0	-64.39	361.73	3.63	-60.76
CN1CCOCC1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720794	0	46	0.0	-66.12	353.30	-0.07	-66.19
C[N@@H+]1CCOCC1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720794	1	46	0.0	-72.06	361.00	0.14	-71.92
C[N@H+]1CCOCC1CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720794	1	46	0.0	-66.12	353.30	-0.07	-66.19
CC1=C(C)[NH+]=C(CCC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029720806	1	46	0.0	-61.55	380.30	1.63	-59.92
C[NH+](C)CCC1=CC=CC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029720816	0	51	0.0	-74.01	410.77	4.65	-69.36
CC1(NC(=O)C2CCN2CC2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720819	0	49	0.0	-68.16	401.65	4.35	-63.81
CC1(NC(=O)C2CC[N@@H+]2CC2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720819	1	49	0.0	-65.42	394.58	4.00	-61.42
CC1(NC(=O)C2CC[N@H+]2CC2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720819	1	49	0.0	-68.16	401.65	4.35	-63.81
CC(C)C[N@@H+]1CCCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029720823	0	54	0.0	-60.30	405.07	4.25	-56.05
CC(C)C[N@H+]1CCCC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029720823	1	54	0.0	-60.19	405.30	4.25	-55.94
C[N@@H+]1CCCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029720952	0	42	0.0	-58.38	331.08	0.94	-57.44
C[N@H+]1CCCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029720952	1	42	0.0	-60.98	333.42	1.28	-59.70
C[N@@H+]1CCOC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029720974	1	43	0.0	-72.04	340.18	0.54	-71.50
C[N@H+]1CCOC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029720974	1	43	0.0	-55.55	338.16	0.52	-55.03
CC1=[NH+]C=CN1CCCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029721130	1	46	0.0	-61.62	383.06	3.30	-58.32
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300029721134	1	52	0.0	-69.04	410.66	2.06	-66.98
C[NH+](C)CC1=CC=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300029721140	0	48	0.0	-70.96	385.62	3.49	-67.47
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[NH+]2CCOCC2)C1	REAL300029721141	1	46	0.0	-66.76	367.66	0.47	-66.29
C[NH+](C)C(C)(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029721163	0	51	0.0	-67.83	381.13	3.74	-64.09
CCC[NH+](CCC)CCCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029721171	0	56	0.0	-64.94	434.64	4.60	-60.34
CC[N@H+](C)C(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029721172	0	51	0.0	-55.63	405.29	4.56	-51.07
CC[N@@H+](C)C(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029721172	1	51	0.0	-56.93	398.71	4.49	-52.44
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300029721193	0	46	0.0	-76.60	346.28	2.06	-74.54
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300029721213	1	40	0.0	-69.27	337.69	3.52	-65.75
C[NH+](C)C1CCCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029721303	0	51	0.0	-62.58	382.08	2.90	-59.68
C[N@@H+]1CCC(CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029721310	0	45	0.0	-65.10	358.88	1.93	-63.17
C[N@H+]1CCC(CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029721310	1	45	0.0	-66.62	359.08	2.06	-64.56
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029721324	0	44	0.0	-69.12	361.76	0.51	-68.61
CCC(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029721330	0	44	0.0	-59.47	344.96	1.59	-57.88
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)C1	REAL300029721340	1	43	0.0	-75.44	369.74	1.94	-73.50
CC1CC2CCC(C(=O)N3CC(C)(NC(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300029721398	0	52	0.0	-58.60	391.79	3.69	-54.91
CC1CC2CCC(C(=O)N3CC(C)(NC(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300029721398	1	52	0.0	-58.00	391.81	3.70	-54.30
C[NH+](C)CCCCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029721438	0	47	0.0	-67.28	377.44	2.52	-64.76
CC(C)C(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029721465	0	47	0.0	-58.09	357.70	2.17	-55.92
CCC[N@H+](C)CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029721467	0	47	0.0	-64.90	373.99	2.41	-62.49
CCC[N@@H+](C)CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029721467	1	47	0.0	-64.73	373.67	2.36	-62.37
CCC[N@H+](C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029721474	0	44	0.0	-62.23	351.28	1.80	-60.43
CCC[N@@H+](C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029721474	1	44	0.0	-62.18	351.63	1.87	-60.31
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300029721507	0	46	0.0	-64.32	348.53	1.40	-62.92
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300029721507	1	46	0.0	-83.13	346.79	1.43	-81.70
CCCCCC[N@H+](C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029721563	0	53	0.0	-63.15	415.90	4.21	-58.94
CCCCCC[N@@H+](C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029721563	1	53	0.0	-63.13	416.12	4.21	-58.92
CC[NH+](CC)C(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300029721576	0	53	0.0	-54.82	387.74	3.29	-51.53
CC1CC[NH+](CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029721625	0	48	0.0	-61.95	375.35	2.93	-59.02
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300029721659	1	43	0.0	-74.36	366.62	1.56	-72.80
C[NH+]1CCC(OCC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029721669	0	49	0.0	-70.53	392.31	2.60	-67.93
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300029721745	0	49	0.0	-61.64	377.74	3.05	-58.59
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300029721745	1	49	0.0	-61.80	378.92	3.10	-58.70
C[NH+](C)CC1(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029721766	0	45	0.0	-69.36	361.14	2.05	-67.31
CC1=[NH+]C=C2CCC(C(=O)N3CC(C)(NC(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300029721767	1	47	0.0	-64.43	381.29	3.06	-61.37
CC(C)[NH+]1CCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029721780	0	51	0.0	-62.26	388.30	2.98	-59.28
CC[N@H+](C)CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029721820	0	44	0.0	-64.38	352.18	1.61	-62.77
CC[N@@H+](C)CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029721820	1	44	0.0	-64.09	352.49	1.68	-62.41
CC(C)(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029721864	0	51	0.0	-72.21	376.70	3.38	-68.83
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1	REAL300029721867	0	55	0.0	-64.91	417.89	4.26	-60.65
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1	REAL300029721867	1	55	0.0	-64.55	416.86	4.25	-60.30
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300029721885	0	46	0.0	-60.21	350.41	2.03	-58.18
C[NH+]1CCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029721988	0	45	0.0	-64.81	357.64	2.03	-62.78
CC(C)[C@H](C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029722009	0	47	0.0	-58.34	355.74	1.96	-56.38
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[NH+](CC3CC3)CC2)C1	REAL300029722117	0	52	0.0	-65.16	406.82	4.24	-60.92
CC[NH+](CC)CC(F)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029722170	0	47	0.0	-66.30	370.99	2.15	-64.15
C[NH+](C)CC1=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)SC=C1	REAL300029722171	0	45	0.0	-60.16	373.48	2.79	-57.37
CC(C)C[N@@H+]1CCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029722221	0	51	0.0	-64.82	395.73	3.28	-61.54
CC(C)C[N@H+]1CCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029722221	1	51	0.0	-63.34	394.47	3.24	-60.10
C[NH+](C)C1(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300029722225	0	45	0.0	-66.12	343.39	1.55	-64.57
CCC(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029722266	0	50	0.0	-56.12	378.22	2.73	-53.39
CC1CCC[N@@H+]1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029722299	0	45	0.0	-59.50	350.72	1.75	-57.75
CC1CCC[N@H+]1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029722299	1	45	0.0	-59.48	350.73	1.74	-57.74
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029722411	1	49	0.0	-58.86	397.85	3.61	-55.25
CC(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300029722419	0	51	0.0	-58.58	381.77	2.84	-55.74
CC(C)[N@@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029722422	0	51	0.0	-57.03	376.79	2.76	-54.27
CC(C)[N@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029722422	1	51	0.0	-59.18	374.91	2.66	-56.52
CC(C)[N@@H+]1CCCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029722458	0	48	0.0	-58.13	370.31	2.52	-55.61
CC(C)[N@H+]1CCCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029722458	1	48	0.0	-61.95	363.10	2.79	-59.16
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@@H+]2C2CCOCC2)C1	REAL300029722467	0	53	0.0	-61.42	403.08	1.92	-59.50
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@H+]2C2CCOCC2)C1	REAL300029722467	1	53	0.0	-62.49	401.79	1.84	-60.65
C[NH+](C)C(CN1C=CC=N1)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029722469	1	48	0.0	-65.53	385.33	2.22	-63.31
CC(C)[N@@H+]1CCCC1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029722476	0	51	0.0	-61.58	389.20	3.03	-58.55
CC(C)[N@H+]1CCCC1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029722476	1	51	0.0	-61.81	394.17	3.04	-58.77
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1	REAL300029722477	0	52	0.0	-58.86	396.02	3.81	-55.05
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@H+]2C2CCCC2)C1	REAL300029722477	1	52	0.0	-60.59	397.72	3.73	-56.86
CC(C)[C@@H](C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029722507	0	47	0.0	-63.45	352.81	2.77	-60.68
CC1CC[N@H+](CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029722545	0	45	0.0	-61.45	358.21	2.10	-59.35
CC1CC[N@@H+](CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029722545	1	45	0.0	-61.33	358.43	2.21	-59.12
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029722546	0	51	0.0	-64.35	392.67	2.65	-61.70
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029722546	1	51	0.0	-63.69	391.93	2.70	-60.99
CC1=[NH+]C=C2CC(C(=O)N3CC(C)(NC(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300029722548	1	47	0.0	-63.36	378.78	3.03	-60.33
C[NH+](C)CCC1=CC=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300029722550	0	51	0.0	-72.46	408.13	4.33	-68.13
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1	REAL300029722552	0	48	0.0	-61.16	377.35	2.61	-58.55
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1	REAL300029722552	1	48	0.0	-60.85	377.09	2.62	-58.23
C[N@H+](CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029722553	0	50	0.0	-61.90	379.89	2.78	-59.12
C[N@@H+](CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029722553	1	50	0.0	-61.96	381.86	2.94	-59.02
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029722554	0	51	0.0	-66.27	411.31	4.90	-61.37
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029722554	1	51	0.0	-65.96	411.22	4.83	-61.13
CC[C@@H](C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029722566	0	44	0.0	-62.72	344.80	1.60	-61.12
CC(COCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300029722574	0	52	0.0	-64.45	410.72	3.18	-61.27
C[N@@H+]1C[C@H](C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300029722587	0	52	0.0	-75.82	415.71	4.69	-71.13
C[N@H+]1C[C@H](C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300029722587	1	52	0.0	-74.36	413.77	4.64	-69.72
CN(CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300029722760	0	47	0.0	-58.51	387.12	2.12	-56.39
CC1=[NH+]C=CN1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029722901	1	40	0.0	-59.16	341.79	2.05	-57.11
CC(C[NH+]1CCOCC1)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029722903	0	49	0.0	-64.95	381.08	0.96	-63.99
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC[NH+]2CCCCC2)C1	REAL300029722926	0	51	0.0	-64.53	397.89	3.70	-60.83
C[NH+](C)CC1=CC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300029722952	1	44	0.0	-73.07	369.23	1.51	-71.56
CC1=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300029722954	0	43	0.0	-69.96	364.65	4.18	-65.78
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029723018	1	46	0.0	-58.29	378.14	3.18	-55.11
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300029723083	0	49	0.0	-56.10	374.34	3.00	-53.10
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300029723083	1	49	0.0	-56.10	374.11	3.00	-53.10
CC[N@@H+]1CCOC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029723133	1	46	0.0	-55.63	355.70	1.25	-54.38
CC[N@H+]1CCOC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029723133	1	46	0.0	-70.43	358.02	1.20	-69.23
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300029723227	0	40	0.0	-66.02	337.41	3.51	-62.51
CC1=C[NH+]=CN1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029723232	1	40	0.0	-64.12	342.15	2.79	-61.33
C[NH+](C)CCN1C=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300029723238	0	48	0.0	-73.37	391.63	1.62	-71.75
C[NH+](C)CCN1C=CC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029723255	0	48	0.0	-73.12	394.73	2.00	-71.12
C[C@@H]1[C@H](C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029723263	0	45	0.0	-68.63	348.49	1.41	-67.22
C[C@@H]1[C@H](C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029723263	1	45	0.0	-60.59	354.01	2.05	-58.54
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029723267	1	49	0.0	-58.45	398.35	3.67	-54.78
CC[C@@H]1[C@@H](C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029723270	0	48	0.0	-66.80	368.73	2.10	-64.70
CC[C@@H]1[C@@H](C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029723270	1	48	0.0	-63.08	372.42	2.38	-60.70
CC1CCC(C)[NH+]1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029723302	0	48	0.0	-58.63	369.56	2.47	-56.16
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC[NH+]2CCCC2)C1	REAL300029723313	0	48	0.0	-64.51	382.22	2.99	-61.52
C[NH+](C)CC1=CC=CC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029723314	0	48	0.0	-67.48	385.63	3.48	-64.00
C#CC[NH+]1CCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029723325	0	47	0.0	-69.03	379.55	3.03	-66.00
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[NH+]2CCCCC2)C1	REAL300029723327	0	48	0.0	-63.56	376.08	2.82	-60.74
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029723332	0	48	0.0	-53.04	383.10	3.50	-49.54
CC[N@@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029723344	0	48	0.0	-60.05	358.64	2.22	-57.83
CC[N@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029723344	1	48	0.0	-55.95	371.30	2.59	-53.36
CC(C)C(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029723345	0	54	0.0	-60.00	395.48	4.25	-55.75
C[NH+](C)C(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029723348	1	48	0.0	-64.37	382.55	3.76	-60.61
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2C=[NH+]C3=C2CCCC3)C1	REAL300029723358	1	47	0.0	-59.39	383.65	4.44	-54.95
C[NH+](C)CC1(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CCCCC1	REAL300029723406	0	54	0.0	-54.00	386.64	3.85	-50.15
C[NH+](C)CCC1=CC=CC=C1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029723407	0	51	0.0	-55.74	405.58	4.28	-51.46
C[N@H+](CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300029723414	0	54	0.0	-64.88	410.81	4.06	-60.82
C[N@@H+](CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300029723414	1	54	0.0	-64.14	410.49	3.98	-60.16
C[NH+](C)C1(CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029723418	0	51	0.0	-65.22	376.03	2.89	-62.33
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=NN1	REAL300029723435	1	49	0.0	-73.59	390.25	1.21	-72.38
C[N@H+]1CCCC1C1=CC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=NN1	REAL300029723435	1	49	0.0	-69.38	388.92	1.02	-68.36
C[N@H+](CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029723708	0	45	0.0	-59.85	358.27	2.44	-57.41
C[N@@H+](CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029723708	1	45	0.0	-60.70	358.63	2.43	-58.27
CC(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300029723750	0	51	0.0	-58.06	371.50	2.22	-55.84
CC[NH+](CC)CC1=CC=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029723767	0	51	0.0	-66.80	405.89	3.31	-63.49
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300029723772	0	51	0.0	-65.82	403.72	3.77	-62.05
C[N@H+](CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029723775	1	48	0.0	-65.21	388.83	4.05	-61.16
C[N@@H+](CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029723775	1	48	0.0	-65.44	389.10	4.04	-61.40
C[NH+]1CCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029723793	0	45	0.0	-64.81	357.64	2.03	-62.78
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029723878	0	42	0.0	-64.14	331.22	0.86	-63.28
C[N@H+]1CCC[C@@H]1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029723878	1	42	0.0	-60.89	333.66	1.35	-59.54
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029723900	1	44	0.0	-61.40	357.90	2.09	-59.31
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029723900	1	44	0.0	-60.63	360.78	2.59	-58.04
C[N@@H+]1CCCC1CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029723913	0	48	0.0	-67.02	375.63	2.74	-64.28
C[N@H+]1CCCC1CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029723913	1	48	0.0	-65.08	374.13	2.51	-62.57
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300029723932	0	49	0.0	-65.93	362.35	2.22	-63.71
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300029723940	0	49	0.0	-56.99	379.26	3.36	-53.63
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300029723940	1	49	0.0	-56.76	372.56	2.93	-53.83
CCC[N@@H+]1CCCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029724057	0	51	0.0	-70.51	396.13	3.39	-67.12
CCC[N@H+]1CCCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029724057	1	51	0.0	-62.80	393.52	3.19	-59.61
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300029724070	0	55	0.0	-56.87	408.54	4.22	-52.65
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300029724070	1	55	0.0	-58.40	404.02	4.08	-54.32
CC(C)[N@@H+]1CCOC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029724083	0	49	0.0	-54.92	368.51	1.53	-53.39
CC(C)[N@H+]1CCOC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029724083	1	49	0.0	-64.26	379.51	1.86	-62.40
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029724107	0	52	0.0	-63.80	388.51	1.20	-62.60
C[N@@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029724130	0	45	0.0	-61.55	353.95	2.03	-59.52
C[N@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029724130	1	45	0.0	-61.68	353.73	1.95	-59.73
CC(C)C[N@@H+]1CCCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029724168	0	51	0.0	-57.85	390.10	2.97	-54.88
CC(C)C[N@H+]1CCCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029724168	1	51	0.0	-61.84	384.47	3.80	-58.04
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300029724190	0	49	0.0	-63.09	385.81	-0.38	-63.47
C[NH+]1C2CCC1CC(=CC(=O)N1CC(C)(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029724236	0	50	0.0	-66.62	385.00	3.38	-63.24
CC1C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029724258	0	45	0.0	-60.09	350.77	1.47	-58.62
CC1C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029724258	1	45	0.0	-61.18	349.59	1.70	-59.48
C[N@@H+]1CCCCC1CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029724262	0	51	0.0	-67.33	386.25	3.21	-64.12
C[N@H+]1CCCCC1CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029724262	1	51	0.0	-62.40	386.02	3.12	-59.28
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC3=C(CCC3)[NH+]=C2N)C1	REAL300029724308	1	45	0.0	-55.50	365.34	1.20	-54.30
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029724404	0	48	0.0	-59.27	358.77	1.10	-58.17
CC(C)(C)[N@H+]1CCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029724404	1	48	0.0	-60.10	373.73	2.18	-57.92
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCN(C3=CC=[NH+]C=C3)C2)C1	REAL300029724425	0	48	0.0	-67.02	384.14	0.81	-66.21
C[NH+](C)CC1=CC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=CC=N1	REAL300029724452	1	47	0.0	-64.78	381.60	2.06	-62.72
C=CCC(C)(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029724458	0	48	0.0	-57.90	359.68	2.06	-55.84
CC[NH+](CC)CCSCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029724497	0	51	0.0	-67.83	414.99	3.76	-64.07
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(N)C3=CC=CC=C3[NH+]=C2)C1	REAL300029724498	1	44	0.0	-58.84	362.81	0.63	-58.21
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[NH+]2CCCC2)C1	REAL300029724503	0	45	0.0	-63.74	360.72	2.19	-61.55
C[N@H+](CCO)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029724511	1	42	0.0	-63.86	340.17	-2.18	-66.04
C[N@@H+](CCO)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029724511	1	42	0.0	-61.91	340.05	-2.09	-64.00
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300029724561	0	48	0.0	-72.82	360.35	-0.23	-73.05
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300029724561	1	48	0.0	-61.83	361.54	0.14	-61.69
CC(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300029724609	1	46	0.0	-61.70	370.85	2.43	-59.27
C[N@H+]1CC=C(CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029724670	0	46	0.0	-65.44	371.43	2.80	-62.64
C[N@@H+]1CC=C(CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029724670	1	46	0.0	-64.47	371.31	2.79	-61.68
C[NH+]1CC(N2CC(C(=O)N3CC(C)(NC(=O)C4=CC(=O)[N-]O4)C3)CC2=O)C1	REAL300029724684	1	50	0.0	-69.05	398.71	1.08	-67.97
C[S+](C)CCC(O)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029724692	0	44	0.0	-71.87	374.87	-0.05	-71.92
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029724725	0	46	0.0	-56.03	349.63	-2.07	-58.10
C[N@H+]1CC(O)CC1(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029724725	1	46	0.0	-61.16	357.15	-1.91	-63.07
CN1CC[N@H+](C)CC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029724743	0	50	0.0	-63.26	378.91	0.39	-62.87
CN1CC[N@@H+](C)CC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029724743	1	50	0.0	-62.90	377.72	0.28	-62.62
CC(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300029724744	0	49	0.0	-60.34	382.92	-0.63	-60.97
CC(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300029724744	1	49	0.0	-61.88	382.42	-0.67	-62.55
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(N)[NH+]=CC3=C2CCC3)C1	REAL300029724782	0	45	0.0	-64.83	372.62	1.19	-63.64
C[N@@H+]1CCCC(O)(CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029724792	0	49	0.0	-58.44	372.97	0.65	-57.79
C[N@H+]1CCCC(O)(CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029724792	1	49	0.0	-57.83	382.68	0.85	-56.98
CC1C[NH+](CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029724799	1	42	0.0	-62.39	343.47	1.54	-60.85
CC[N@@H+]1CCCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029724807	0	48	0.0	-64.44	375.18	2.58	-61.86
CC[N@H+]1CCCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029724807	1	48	0.0	-59.73	365.70	2.63	-57.10
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=CC=C[NH+]=C2N)C1	REAL300029724823	0	41	0.0	-59.35	346.63	0.26	-59.09
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300029724839	0	46	0.0	-57.70	368.77	2.93	-54.77
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300029724839	1	46	0.0	-56.41	361.76	2.25	-54.16
CC1C[N@@H+](C2CCC2C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CCO1	REAL300029724876	0	53	0.0	-55.05	406.56	2.40	-52.65
CC1C[N@H+](C2CCC2C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CCO1	REAL300029724876	1	53	0.0	-65.85	415.88	2.32	-63.53
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(C[NH+]3CCCC3)O2)C1	REAL300029724897	0	49	0.0	-67.89	399.97	3.33	-64.56
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300029724904	0	46	0.0	-67.73	372.52	2.65	-65.08
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300029724938	0	49	0.0	-75.08	382.09	3.21	-71.87
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2CC3C=CC2C3)C1	REAL300029725081	0	44	0.0	-59.91	351.56	2.35	-57.56
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300029725081	1	44	0.0	-60.68	351.11	2.32	-58.36
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300029725081	1	44	0.0	-60.68	351.11	2.32	-58.36
CC1=CC=C(NCCC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)N=C1	REAL300029725108	0	47	0.0	-60.72	391.26	1.86	-58.86
CC1=CC=C(NCCC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)[NH+]=C1	REAL300029725108	1	47	0.0	-60.72	391.26	1.86	-58.86
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(C[NH+]3CCCC3)CCCC2)C1	REAL300029725165	0	55	0.0	-52.40	404.63	3.93	-48.47
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300029725268	0	49	0.0	-59.69	363.50	2.43	-57.26
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[N@H+]2CCCC3)C1	REAL300029725268	1	49	0.0	-59.69	363.50	2.43	-57.26
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300029725280	0	47	0.0	-57.77	357.89	2.33	-55.44
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300029725280	1	47	0.0	-57.77	357.89	2.33	-55.44
CC(OCC[NH+](C)C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029725296	0	48	0.0	-61.04	385.57	2.10	-58.94
C[NH+](C)CCOCCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029725310	0	48	0.0	-66.45	389.21	1.27	-65.18
COCCN(C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029725312	0	45	0.0	-61.44	362.31	0.31	-61.13
COCC[N@H+](C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029725312	1	45	0.0	-63.81	362.42	0.22	-63.59
COCC[N@@H+](C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029725312	1	45	0.0	-63.81	362.42	0.22	-63.59
CC(CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029725321	0	47	0.0	-63.90	369.75	2.22	-61.68
CC[N@H+](CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029725367	0	45	0.0	-60.33	353.74	2.37	-57.96
CC1C[N@@H+]2CCN1C(C(=O)N1CC(C)(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029725387	0	48	0.0	-61.51	361.80	-0.78	-62.29
C[N@@H+]1CC2CC1(C(=O)N1CC(C)(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029725428	0	43	0.0	-60.38	337.26	1.56	-58.82
CC1=NC(N)=CC=C1C=CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029725442	0	45	0.0	-64.17	377.11	1.11	-63.06
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029725442	1	45	0.0	-64.17	377.11	1.11	-63.06
CC1=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C=NN1CC[NH+](C)C	REAL300029725449	0	51	0.0	-74.22	407.45	2.11	-72.11
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300029725452	0	46	0.0	-58.66	356.45	2.29	-56.37
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300029725452	1	46	0.0	-58.66	356.45	2.29	-56.37
CC(C)[NH+]1CCC(CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029725473	0	54	0.0	-64.33	406.27	3.79	-60.54
CC(C[NH+](C)C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029725490	0	44	0.0	-65.32	349.76	1.54	-63.78
C[N@@H+]1CC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C(C(F)(F)F)C1	REAL300029725508	0	45	0.0	-69.46	363.61	2.11	-67.35
C[N@H+]1CC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C(C(F)(F)F)C1	REAL300029725508	1	45	0.0	-69.46	363.61	2.11	-67.35
CCN1CCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029725557	0	42	0.0	-61.80	334.84	0.89	-60.91
CC[N@@H+]1CCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029725557	1	42	0.0	-61.63	343.69	1.35	-60.28
CC[N@H+]1CCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029725557	1	42	0.0	-61.63	343.69	1.35	-60.28
CC(C)[N@@H+]1CCCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029725578	0	51	0.0	-61.35	388.68	2.97	-58.38
CC(C)[N@H+]1CCCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029725578	1	51	0.0	-61.35	388.68	2.97	-58.38
CN1C=CN=C1N1CCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029725580	0	49	0.0	-60.36	390.61	2.94	-57.42
CN1C=C[NH+]=C1N1CCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029725580	1	49	0.0	-60.36	390.61	2.94	-57.42
CCC(C)(C)[NH2+]C(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029725609	0	50	0.0	-60.25	377.24	0.92	-59.33
C#CCN1CCCCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029725673	0	47	0.0	-60.35	366.25	2.81	-57.54
C#CC[N@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029725673	1	47	0.0	-60.06	379.21	3.21	-56.85
C#CC[N@@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029725673	1	47	0.0	-60.06	379.21	3.21	-56.85
CNC1=NC(C)=CC=C1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029725677	0	44	0.0	-57.03	361.25	1.01	-56.02
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029725677	1	44	0.0	-57.03	361.25	1.01	-56.02
CCCC(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029725696	0	47	0.0	-59.61	366.46	2.35	-57.26
C[NH+](C)C(C)(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029725706	0	44	0.0	-64.75	335.01	1.42	-63.33
CC(CC[NH+](C)C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029725734	0	47	0.0	-68.25	373.82	2.23	-66.02
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1	REAL300029725807	0	52	0.0	-60.21	387.15	3.71	-56.50
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1	REAL300029725807	1	52	0.0	-60.21	387.15	3.71	-56.50
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300029725848	0	47	0.0	-58.37	365.25	2.59	-55.78
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300029725848	1	47	0.0	-58.52	365.70	2.51	-56.01
COCCCC[N@H+](C)CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029725905	0	54	0.0	-68.42	429.16	2.26	-66.16
COCCCC[N@@H+](C)CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029725905	1	54	0.0	-68.28	428.84	2.21	-66.07
C[NH+](C)C12CCC(C(=O)N3CC(C)(NC(=O)C4=CC(=O)[N-]O4)C3)(CC1)CC2	REAL300029725911	0	55	0.0	-68.57	394.73	3.22	-65.35
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029725920	0	48	0.0	-58.29	377.27	2.38	-55.91
C[N@H+]1CC(C)(C)CC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029725920	1	48	0.0	-63.90	371.94	2.01	-61.89
C[NH+](C)CCCCCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029725926	0	50	0.0	-67.60	398.94	3.31	-64.29
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[NH+]2CCC(O)CC2)C1	REAL300029725932	0	49	0.0	-66.43	387.17	-0.53	-66.96
CCC[N@@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029725938	0	51	0.0	-58.75	381.62	2.96	-55.79
CCC[N@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029725938	1	51	0.0	-60.10	380.44	3.02	-57.08
CC[NH+]1CCN(CCC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029725948	0	53	0.0	-64.95	410.78	1.13	-63.82
CCN1CC[NH+](CCC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029725948	1	53	0.0	-64.94	411.00	1.12	-63.82
C[NH+]1CCN(CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029725951	1	47	0.0	-67.22	371.19	-0.06	-67.28
CC(C)C[NH+]1CCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029726104	0	54	0.0	-67.89	410.85	3.92	-63.97
CC1C[N@H+](C)CC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029726108	1	46	0.0	-76.30	361.24	1.04	-75.26
CC1C[N@@H+](C)CC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029726108	1	46	0.0	-76.04	361.00	1.10	-74.94
CCC1CCC[N@H+](CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029726152	0	51	0.0	-61.73	386.00	3.45	-58.28
CCC1CCC[N@@H+](CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029726152	1	51	0.0	-61.44	386.00	3.45	-57.99
C[NH+](C)CC1=CC=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029726164	0	46	0.0	-73.99	374.42	1.86	-72.13
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300029726190	0	43	0.0	-61.42	347.86	2.33	-59.09
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2([NH+]3CCCC3)CC2)C1	REAL300029726215	0	49	0.0	-60.26	377.28	3.22	-57.04
CC([NH2+]C1(CO)CCCC1)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029726240	0	52	0.0	-62.66	395.50	-1.52	-64.18
C[N@@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029726281	0	45	0.0	-61.55	353.95	2.03	-59.52
C[N@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029726281	1	45	0.0	-61.68	353.73	1.95	-59.73
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@@H+]2CC2=CC=CC=C2)C1	REAL300029726290	1	49	0.0	-64.12	403.87	4.46	-59.66
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@H+]2CC2=CC=CC=C2)C1	REAL300029726290	1	49	0.0	-62.91	393.56	4.08	-58.83
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029726297	0	54	0.0	-60.59	401.90	4.04	-56.55
CC(C)C[N@H+]1CCCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029726297	1	54	0.0	-67.05	404.80	3.89	-63.16
C[NH+](C)C1CCN(CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029726383	0	53	0.0	-67.92	405.50	1.15	-66.77
C[N@@H+]1CCC(=CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029726474	0	43	0.0	-68.76	349.82	2.02	-66.74
C[N@H+]1CCC(=CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029726474	1	43	0.0	-67.92	351.00	2.01	-65.91
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300029726482	0	41	0.0	-63.89	348.11	-0.27	-64.16
CC[NH+]1CCN(CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029726558	0	50	0.0	-65.80	388.42	0.58	-65.22
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=C2C[NH+]3CCC2CC3)C1	REAL300029726563	0	47	0.0	-63.68	368.41	2.86	-60.82
C[NH+](C)C1(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029726622	0	48	0.0	-56.53	351.95	2.58	-53.95
C[N@H+](CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029726638	0	49	0.0	-58.92	382.98	-0.15	-59.07
C[N@@H+](CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029726638	1	49	0.0	-60.76	383.38	-0.35	-61.11
CCC1C[NH+](CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029726646	1	45	0.0	-62.99	364.63	2.27	-60.72
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[NH+](C3CCOCC3)C2)C1	REAL300029726650	0	50	0.0	-64.73	395.67	1.41	-63.32
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300029726653	0	49	0.0	-58.20	366.35	2.64	-55.56
C[N@@H+]1CCC[C@H]1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029726670	0	42	0.0	-59.55	337.93	1.39	-58.16
C[N@H+]1CCC[C@H]1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029726670	1	42	0.0	-64.07	331.52	0.96	-63.11
CC[N@@H+]1CCOCC1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029726715	0	49	0.0	-63.41	375.75	0.68	-62.73
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)NC3=C2CCC[NH2+]3)C1	REAL300029726724	0	46	0.0	-73.21	379.90	-0.10	-73.31
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[NH+](C3CCCCC3)C2)C1	REAL300029726748	0	52	0.0	-62.95	404.43	3.80	-59.15
COC1C[N@@H+]2CCCC2(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029726770	0	50	0.0	-62.33	386.38	0.93	-61.40
COC1C[N@H+]2CCCC2(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029726770	1	50	0.0	-62.33	386.38	0.93	-61.40
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C3NC(N)=[NH+]C3=C2)C1	REAL300029726852	1	42	0.0	-64.75	351.66	1.26	-63.49
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029726914	0	45	0.0	-61.32	361.66	2.19	-59.13
C[NH+](C)CCC1(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029726930	0	54	0.0	-52.02	405.70	3.53	-48.49
CC1CCCC(C)[NH+]1CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029726932	0	54	0.0	-60.23	406.09	3.52	-56.71
C[NH+](C)C1CCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029726935	0	51	0.0	-67.65	381.52	2.89	-64.76
C[NH+](C)CCC1(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029726936	0	48	0.0	-51.74	380.81	2.72	-49.02
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029726941	0	51	0.0	-73.33	381.43	2.93	-70.40
C[N@@H+]1CC=CCC1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029726942	0	46	0.0	-64.41	363.32	2.43	-61.98
C[N@H+]1CC=CCC1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029726942	1	46	0.0	-64.41	363.32	2.43	-61.98
CC1=CC(C=CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=CN=C1N	REAL300029727020	0	45	0.0	-65.06	377.31	1.42	-63.64
CC1=CC(C=CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=C[NH+]=C1N	REAL300029727020	1	45	0.0	-65.06	377.31	1.42	-63.64
C[NH+](C)CCOCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029727037	0	45	0.0	-63.46	368.26	1.57	-61.89
CCCCC[N@H+](C)CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029727045	0	53	0.0	-65.52	416.67	3.92	-61.60
CCCCC[N@@H+](C)CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029727045	1	53	0.0	-65.52	416.67	3.92	-61.60
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029727062	0	49	0.0	-67.19	390.54	2.33	-64.86
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2C=CSC2=[NH2+])C1	REAL300029727096	0	38	0.0	-60.10	339.45	0.63	-59.47
C[C@@H](OCC[NH+](C)C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029727217	0	48	0.0	-61.13	385.34	2.09	-59.04
C[NH+]1CCC(O)(C2(C(=O)N3CC(C)(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029727222	0	53	0.0	-55.81	402.07	1.25	-54.56
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[NH+]2CCCCCC2)C1	REAL300029727315	0	51	0.0	-65.64	386.39	3.07	-62.57
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCCCC2)C1	REAL300029727321	0	45	0.0	-61.12	354.13	2.32	-58.80
C[N@@H+]1CCCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029727323	0	45	0.0	-67.98	357.74	1.98	-66.00
C[N@H+]1CCCC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029727323	1	45	0.0	-65.50	352.09	1.77	-63.73
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300029727325	0	49	0.0	-63.09	385.81	-0.38	-63.47
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCCCCC2)C1	REAL300029727331	0	48	0.0	-60.40	363.47	2.51	-57.89
CN1C=C[N+](CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029727338	0	40	0.0	-61.92	343.63	3.96	-57.96
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029727360	0	54	0.0	-67.65	387.95	2.62	-65.03
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029727360	1	54	0.0	-61.50	398.77	3.00	-58.50
C[NH+](C)CC1=CC=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029727366	1	45	0.0	-67.83	373.55	2.11	-65.72
C[NH+](C)CC1=CC=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300029727376	0	47	0.0	-71.61	381.38	2.03	-69.58
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300029727399	1	46	0.0	-65.31	365.21	-1.03	-66.34
C[N@@H+](CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029727407	1	42	0.0	-60.20	341.82	1.86	-58.34
CC(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300029727409	1	50	0.0	-69.07	389.44	0.41	-68.66
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[N@H+]2CCC(F)C2)C1	REAL300029727417	1	45	0.0	-65.83	366.65	2.18	-63.65
COC1C[N@@H+](C)C(C)(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029727436	1	49	0.0	-55.41	368.22	1.10	-54.31
C[NH+](C)CCC1=CC=CC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029727459	0	51	0.0	-69.47	408.13	4.32	-65.15
CC(CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029727466	0	47	0.0	-66.74	369.37	2.40	-64.34
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300029727492	0	47	0.0	-68.06	371.54	0.67	-67.39
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@H+]3CCOCC23)C1	REAL300029727492	1	47	0.0	-63.34	366.60	0.73	-62.61
CC1=[NH+]C=C2C=CC(C(=O)N3CC(C)(NC(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300029727502	0	43	0.0	-62.17	358.83	3.28	-58.89
CN1CCOCC1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029727527	0	46	0.0	-57.04	355.30	0.14	-56.90
C[N@@H+]1CCOCC1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029727527	1	46	0.0	-68.78	362.68	0.19	-68.59
C[N@H+]1CCOCC1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029727527	1	46	0.0	-57.04	355.30	0.14	-56.90
C[NH+](C)CC(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029727539	0	51	0.0	-68.81	405.85	4.28	-64.53
CC[NH+]1CCN(CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029727545	0	50	0.0	-65.80	388.42	0.58	-65.22
CC1=CC(N)=[NH+]C=C1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029727623	1	41	0.0	-64.14	340.77	-0.27	-64.41
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC2=CC=C(N)[NH+]=C2)C1	REAL300029727626	0	44	0.0	-61.77	371.41	0.96	-60.81
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(CC[NH+]3CCCCC3)CC2)C1	REAL300029727658	0	55	0.0	-55.74	430.20	4.86	-50.88
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+]2CCC(C)(O)C2)C1	REAL300029727700	1	46	0.0	-61.00	367.91	-1.23	-62.23
C[NH+](C)CCN1N=CC=C1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029727711	0	48	0.0	-62.55	388.15	1.61	-60.94
C[NH+]1CC(CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029727753	0	42	0.0	-66.37	343.68	1.28	-65.09
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300029727759	1	49	0.0	-60.59	377.07	2.82	-57.77
C[N@H+](CCO)CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029727819	0	45	0.0	-63.52	362.53	-1.61	-65.13
C[N@@H+](CCO)CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029727819	1	45	0.0	-64.57	362.79	-1.53	-66.10
C[N@@H+]1CCCCC1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029727845	0	48	0.0	-59.80	363.83	2.52	-57.28
C[N@H+]1CCCCC1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029727845	1	48	0.0	-65.58	371.41	2.64	-62.94
CC1=C2C=C(C(=O)N3CC(C)(NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029727880	1	43	0.0	-67.09	359.61	4.01	-63.08
CC(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300029727881	0	45	0.0	-59.75	358.16	1.84	-57.91
CC1CC[N@@H+]1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029727887	1	42	0.0	-60.18	343.70	1.53	-58.65
CC1CC[N@H+]1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029727887	1	42	0.0	-61.76	343.49	1.54	-60.22
C[NH+](C)CC=CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029727908	0	42	0.0	-69.26	348.12	1.65	-67.61
CC1(C)C[NH+](CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029727926	1	45	0.0	-61.75	362.55	2.03	-59.72
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCCC[NH+]2CCCCC2)C1	REAL300029727941	0	54	0.0	-65.75	419.39	4.47	-61.28
CC1=C(C)[NH+]=C(CCC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029727958	1	46	0.0	-58.94	383.26	1.72	-57.22
C[N@@H+]1CCC2=C(C1)SC(C(=O)N1CC(C)(NC(=O)C3=CC(=O)[N-]O3)C1)=C2	REAL300029727959	1	46	0.0	-72.44	381.99	3.15	-69.29
C[N@H+]1CCC2=C(C1)SC(C(=O)N1CC(C)(NC(=O)C3=CC(=O)[N-]O3)C1)=C2	REAL300029727959	1	46	0.0	-73.26	382.03	3.15	-70.11
C[NH+]1CCC(C2(C(=O)N3CC(C)(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029727973	0	52	0.0	-73.69	400.81	3.88	-69.81
CC1=C2C=C(C(=O)N3CC(C)(NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029727984	1	43	0.0	-67.09	359.61	4.01	-63.08
C[NH+](C)CCSCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029728000	0	45	0.0	-70.15	379.29	2.39	-67.76
CC(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300029728021	0	51	0.0	-63.33	406.53	4.42	-58.91
CC(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300029728021	1	51	0.0	-63.38	406.96	4.35	-59.03
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC3=C(CCCC3)[NH+]=C2N)C1	REAL300029728025	1	48	0.0	-55.49	382.53	1.78	-53.71
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+]2CCCC2CO)C1	REAL300029728034	0	46	0.0	-60.67	357.95	-1.07	-61.74
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+]2CCCC2CO)C1	REAL300029728034	1	46	0.0	-60.00	366.16	-1.15	-61.15
CC[NH+](CC)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029728037	0	44	0.0	-60.84	343.98	1.54	-59.30
C[N@H+](CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029728054	0	46	0.0	-65.22	371.88	2.68	-62.54
C[N@@H+](CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029728054	1	46	0.0	-68.06	371.67	2.69	-65.37
CC[NH+](CC)CCC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029728121	0	47	0.0	-63.27	365.99	2.12	-61.15
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCC(C(N)=O)CC2)C1	REAL300029728147	0	49	0.0	-73.86	390.04	-1.01	-74.87
C[NH+](C)CC1=CNC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029728207	0	46	0.0	-67.87	374.23	1.76	-66.11
CC(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300029728233	0	49	0.0	-61.70	373.14	-0.96	-62.66
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300029728242	0	47	0.0	-64.87	368.87	0.69	-64.18
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC3COCC[N@H+]3C2)C1	REAL300029728242	1	47	0.0	-64.90	368.48	0.60	-64.30
CC(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029728264	1	42	0.0	-68.90	341.68	1.37	-67.53
CCC(CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029728278	0	50	0.0	-65.98	383.90	2.93	-63.05
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=CC2=CC=C(N)[NH+]=C2)C1	REAL300029728287	0	42	0.0	-66.44	359.30	0.58	-65.86
C[NH+](C)CC(C)(C)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029728288	0	47	0.0	-64.23	353.55	1.70	-62.53
C[NH+](C)C(CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029728335	0	51	0.0	-68.07	402.62	4.48	-63.59
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029728375	0	45	0.0	-63.06	340.70	1.59	-61.47
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029728375	1	45	0.0	-57.08	353.46	1.95	-55.13
CC1CN2CC[N@@H+]1CC2C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029728391	0	48	0.0	-58.98	361.68	-0.86	-59.84
CC1CN2CC[N@H+]1CC2C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029728391	1	48	0.0	-70.80	363.40	-0.78	-71.58
C[NH+](C)CC(O)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029728426	0	45	0.0	-68.70	364.87	-0.48	-69.18
C[NH+]1C2CCC1CC(C(=O)N1CC(C)(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029728429	0	49	0.0	-65.01	348.64	2.56	-62.45
C#CC1(O)CC[NH+](C(C)C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029728469	0	51	0.0	-60.52	405.18	0.22	-60.30
C=CCC(C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029728484	0	45	0.0	-59.12	358.97	2.12	-57.00
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300029728499	0	49	0.0	-61.64	377.74	3.05	-58.59
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300029728499	1	49	0.0	-61.80	378.92	3.10	-58.70
C[NH+]1CCC(C)(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029728517	0	48	0.0	-56.27	362.57	2.07	-54.20
C[NH+]1CCC(O)(CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029728523	0	49	0.0	-64.55	382.72	0.81	-63.74
COCC[N@@H+]1CCCC1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029728539	0	52	0.0	-62.99	408.78	2.04	-60.95
COCC[N@H+]1CCCC1CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029728539	1	52	0.0	-61.27	410.37	1.82	-59.45
C[NH+]1C2CCC1CC(CC(=O)N1CC(C)(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029728555	0	52	0.0	-69.47	378.05	2.92	-66.55
C[NH+](C)CCN1N=CC=C1C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029728592	0	48	0.0	-69.24	389.99	1.74	-67.50
C[N@@H+]1CCC2=C(C1)SC(C(=O)NC1(C)CN(C(=O)C3=CC(=O)[N-]O3)C1)=C2	REAL300029728626	1	46	0.0	-75.24	384.29	3.41	-71.83
C[N@H+]1CCC2=C(C1)SC(C(=O)NC1(C)CN(C(=O)C3=CC(=O)[N-]O3)C1)=C2	REAL300029728626	1	46	0.0	-75.56	384.33	3.39	-72.17
C[NH+]1CCC(C2(C(=O)NC3(C)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029728635	0	52	0.0	-63.63	398.42	4.09	-59.54
CC1=C2C=C(C(=O)NC3(C)CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029728647	1	43	0.0	-69.28	362.49	4.40	-64.88
C[NH+](C)CCSCC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029728660	0	45	0.0	-71.79	377.05	2.21	-69.58
CC1(NC(=O)C2CC3COCC[N@@H+]3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029728670	0	47	0.0	-66.68	368.55	0.68	-66.00
CC1(NC(=O)C2CC3COCC[N@H+]3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029728670	1	47	0.0	-63.08	368.57	0.62	-62.46
C[N@@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029728832	0	51	0.0	-70.10	377.61	3.50	-66.60
C[N@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029728832	1	51	0.0	-58.50	377.48	3.56	-54.94
C[N@@H+]1CCOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029728856	1	52	0.0	-71.52	389.00	2.94	-68.58
C[N@H+]1CCOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029728856	1	52	0.0	-61.38	388.96	2.96	-58.42
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)[NH+]1CCCCCC1	REAL300029729012	0	60	0.0	-55.62	420.83	4.94	-50.68
CC(C)[N@@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029729031	0	57	0.0	-55.93	410.25	4.65	-51.28
CC(C)[N@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029729031	1	57	0.0	-56.15	410.46	4.63	-51.52
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300029729044	0	58	0.0	-64.78	419.40	5.29	-59.49
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1CC2CCCC[N@H+]2C1	REAL300029729044	1	58	0.0	-78.24	419.38	5.21	-73.03
CC(C)C1=[NH+]C=CN1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029729063	1	55	0.0	-55.51	417.31	5.22	-50.29
CC1=[NH+]C=CN1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029729089	1	49	0.0	-55.75	380.99	4.10	-51.65
CC(C[NH+]1CCOCC1)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029729090	0	58	0.0	-76.64	422.91	3.14	-73.50
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CCC[NH+]1CCCCC1	REAL300029729103	0	60	0.0	-62.19	437.15	5.75	-56.44
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1C[NH+]2CCC1CC2	REAL300029729126	0	55	0.0	-54.77	392.81	4.31	-50.46
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1CCCC2CCC[N@@H+]21	REAL300029729163	0	58	0.0	-53.63	416.57	5.46	-48.17
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1CCCC2CCC[N@H+]21	REAL300029729163	1	58	0.0	-55.00	416.65	5.45	-49.55
C[C@@H]1[C@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)CC[N@@H+]1C	REAL300029729175	0	54	0.0	-66.96	388.39	3.60	-63.36
C[C@@H]1[C@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)CC[N@H+]1C	REAL300029729175	1	54	0.0	-75.42	393.88	3.81	-71.61
CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)CC[N@@H+]1C	REAL300029729178	0	57	0.0	-76.12	409.28	4.26	-71.86
CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)CC[N@H+]1C	REAL300029729178	1	57	0.0	-59.39	414.36	4.58	-54.81
CC[N@@H+]1CCOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029729186	1	55	0.0	-69.74	406.77	3.60	-66.14
CC[N@H+]1CCOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029729186	1	55	0.0	-86.04	407.14	3.65	-82.39
CC[NH+](CC)CC(F)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029729217	0	56	0.0	-75.59	410.56	4.12	-71.47
CC1CCC(C)[NH+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029729268	0	57	0.0	-54.68	408.98	4.38	-50.30
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CCC[NH+]1CCCC1	REAL300029729274	0	57	0.0	-75.41	421.43	4.94	-70.47
C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)CC1	REAL300029729278	0	56	0.0	-81.38	421.34	5.26	-76.12
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CC[NH+]1CCCCC1	REAL300029729279	0	57	0.0	-75.43	415.60	4.83	-70.60
CC(C)C[N@@H+]1CCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029729297	0	60	0.0	-74.51	436.79	5.54	-68.97
CC(C)C[N@H+]1CCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029729297	1	60	0.0	-75.81	436.72	5.45	-70.36
CC(C)[N@@H+]1CCCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029729302	0	60	0.0	-50.41	421.39	5.06	-45.35
CC(C)[N@H+]1CCCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029729302	1	60	0.0	-59.05	434.01	5.18	-53.87
C[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)C1CCC1	REAL300029729346	0	54	0.0	-56.17	397.78	4.47	-51.70
C[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)C1CCC1	REAL300029729346	1	54	0.0	-71.93	397.72	4.38	-67.55
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)[NH+]1C(C)CCC1C	REAL300029729392	0	60	0.0	-68.41	421.95	4.65	-63.76
C[N@@H+]1CCCC1CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029729451	0	57	0.0	-79.54	419.17	4.93	-74.61
C[N@H+]1CCCC1CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029729451	1	57	0.0	-63.91	413.86	4.61	-59.30
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1CCC2CCCC[N@@H+]21	REAL300029729460	0	58	0.0	-69.07	419.86	5.50	-63.57
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1CCC2CCCC[N@H+]21	REAL300029729460	1	58	0.0	-55.98	419.75	5.55	-50.43
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CCCC[NH+]1CCCC1	REAL300029729474	0	60	0.0	-76.27	442.93	5.72	-70.55
C[NH+]1CCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)CC1	REAL300029729485	0	54	0.0	-61.16	396.12	4.14	-57.02
C[NH+](C)CC1=CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)=NO1	REAL300029729508	1	53	0.0	-81.16	411.08	3.59	-77.57
CC1=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C=CC2=C[NH+]=CN21	REAL300029729509	0	52	0.0	-63.13	395.67	6.37	-56.76
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300029729634	0	49	0.0	-64.74	382.09	6.14	-58.60
CC1=[NH+]C=CN1CCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029729642	1	55	0.0	-61.28	422.62	5.41	-55.87
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CC[NH+]1CCOCC1	REAL300029729647	1	55	0.0	-62.83	406.92	2.52	-60.31
CC1=C[NH+]=CN1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029729671	1	49	0.0	-61.85	381.33	4.83	-57.02
C[NH+](C)C1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029729722	0	60	0.0	-66.62	423.91	5.09	-61.53
C[N@@H+]1CCC(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029729725	0	54	0.0	-77.28	398.39	3.97	-73.31
C[N@H+]1CCC(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029729725	1	54	0.0	-63.19	398.46	4.11	-59.08
CCC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)[NH+](C)C	REAL300029729740	0	53	0.0	-55.37	385.04	3.66	-51.71
C[NH+](C)C1(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)CCCC1	REAL300029729752	0	60	0.0	-63.01	415.74	5.04	-57.97
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300029729783	1	49	0.0	-81.97	382.41	6.06	-75.91
C[NH+](C)CCCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029729828	0	56	0.0	-65.29	416.92	4.62	-60.67
CCC[N@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029729846	0	56	0.0	-77.11	413.19	4.36	-72.75
CCC[N@@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029729846	1	56	0.0	-61.34	413.15	4.43	-56.91
CCC[N@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029729850	0	53	0.0	-74.12	390.84	3.83	-70.29
CCC[N@@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029729850	1	53	0.0	-58.73	390.79	3.90	-54.83
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C12CC[N@H+](C1)CCC2	REAL300029729868	0	55	0.0	-62.18	392.86	3.95	-58.23
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C12CC[N@@H+](C1)CCC2	REAL300029729868	1	55	0.0	-86.29	392.76	3.86	-82.43
C[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029729899	0	51	0.0	-62.64	371.68	3.18	-59.46
C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029729899	1	51	0.0	-58.69	376.84	3.60	-55.09
CCCCCC[N@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029729946	0	62	0.0	-75.35	455.33	6.17	-69.18
CCCCCC[N@@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029729946	1	62	0.0	-59.64	455.29	6.25	-53.39
CC[NH+](CC)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029729957	0	53	0.0	-56.30	387.26	3.83	-52.47
CCC[N@@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029729983	0	60	0.0	-54.75	426.05	5.83	-48.92
CCC[N@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029729983	1	60	0.0	-59.48	435.33	5.51	-53.97
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CC(C)[N@H+]1CCOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029729994	1	58	0.0	-83.78	424.00	4.15	-79.63
CC1CC[NH+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)CC1	REAL300029730022	0	57	0.0	-58.13	414.14	4.97	-53.16
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C[NH+](C)CC1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)CC1	REAL300029730053	0	54	0.0	-72.97	403.63	4.20	-68.77
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C[NH+]1CCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)CC1	REAL300029730130	0	54	0.0	-61.16	396.12	4.14	-57.02
CCC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)[NH+](CC)CC	REAL300029730160	0	59	0.0	-54.46	416.08	4.95	-49.51
CC[N@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029730212	0	53	0.0	-61.16	391.65	3.69	-57.47
CC[N@@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029730212	1	53	0.0	-60.84	391.65	3.69	-57.15
CC1CCC[N@@H+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029730257	0	54	0.0	-56.39	397.23	4.40	-51.99
CC1CCC[N@H+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029730257	1	54	0.0	-56.38	390.43	3.90	-52.48
CC1CC[N@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029730259	0	54	0.0	-73.48	397.85	4.17	-69.31
CC1CC[N@@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029730259	1	54	0.0	-57.13	396.92	4.17	-52.96
CC1(C)CC[N@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029730262	0	57	0.0	-58.25	417.54	4.88	-53.37
CC1(C)CC[N@@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029730262	1	57	0.0	-57.60	416.89	4.76	-52.84
C[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)CC(C)(C)C	REAL300029730263	0	59	0.0	-57.97	418.78	4.88	-53.09
C[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)CC(C)(C)C	REAL300029730263	1	59	0.0	-73.74	421.93	4.97	-68.77
CC[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)[NH+](C)C	REAL300029730270	0	53	0.0	-57.93	379.91	3.64	-54.29
C[NH+]1CCC(O)(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)CC1	REAL300029730407	0	58	0.0	-77.11	422.14	2.71	-74.40
C[NH+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029730417	0	47	0.0	-59.62	351.56	2.48	-57.14
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C[NH+]1CCC(CO)CC1	REAL300029730420	1	58	0.0	-59.63	424.98	1.66	-57.97
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C[NH+]1CCCCCC1	REAL300029730421	0	57	0.0	-56.84	402.53	4.53	-52.31
CN1C=C[N+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)=C1	REAL300029730425	0	49	0.0	-71.86	382.84	5.92	-65.94
C[N@@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029730431	0	54	0.0	-55.17	386.87	4.44	-50.73
C[N@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029730431	1	54	0.0	-54.66	388.11	4.31	-50.35
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1CCC[N@@H+]1C1CC1	REAL300029730435	0	55	0.0	-60.57	404.07	4.50	-56.07
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1CCC[N@H+]1C1CC1	REAL300029730435	1	55	0.0	-63.97	391.72	4.84	-59.13
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)[NH+]1CCC1	REAL300029730457	1	51	0.0	-58.37	379.42	3.56	-54.81
CCC(CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)C[NH+](C)C	REAL300029730462	0	59	0.0	-55.71	426.73	5.08	-50.63
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C[NH+]1CCC(O)CC1	REAL300029730488	1	55	0.0	-61.97	404.48	1.04	-60.93
C[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)C1CC1	REAL300029730489	0	51	0.0	-55.98	380.82	3.89	-52.09
C[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)C1CC1	REAL300029730489	1	51	0.0	-71.49	381.01	3.82	-67.67
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)N1CC[NH+](C)CC1	REAL300029730490	1	59	0.0	-73.91	424.89	2.24	-71.67
C[NH+]1CC(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029730505	0	51	0.0	-64.07	383.00	3.30	-60.77
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1CC[N@@H+]1C1CCCC1	REAL300029730509	0	58	0.0	-57.90	418.73	5.11	-52.79
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1CC[N@H+]1C1CCCC1	REAL300029730509	1	58	0.0	-57.67	415.35	5.05	-52.62
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029730516	0	57	0.0	-73.45	392.15	3.91	-69.54
CC(C)(C)[N@H+]1CCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029730516	1	57	0.0	-54.66	395.74	3.76	-50.90
C[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)[NH+](C)C	REAL300029730527	0	50	0.0	-59.82	369.29	2.91	-56.91
CCC1CCC[N@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029730561	0	60	0.0	-59.02	425.84	5.71	-53.31
CCC1CCC[N@@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029730561	1	60	0.0	-57.91	425.62	5.60	-52.31
C[NH+](C)CC1=CC=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)N1	REAL300029730568	0	55	0.0	-65.00	418.41	3.67	-61.33
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CN1C=CSC1=[NH2+]	REAL300029730601	0	47	0.0	-52.83	378.63	2.67	-50.16
C[N@H+](CCO)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029730609	0	54	0.0	-60.15	402.01	0.48	-59.67
C[N@@H+](CCO)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029730609	1	54	0.0	-75.24	401.91	0.40	-74.84
C[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)[NH+](C)C	REAL300029730610	0	50	0.0	-59.82	369.29	2.91	-56.91
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029730614	0	54	0.0	-56.17	384.16	3.95	-52.22
C[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029730614	1	54	0.0	-59.85	393.39	4.11	-55.74
CC1CN2CC[N@@H+]1CC2C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029730620	0	57	0.0	-82.90	404.78	1.48	-81.42
CC1CN2CC[N@H+]1CC2C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029730620	1	57	0.0	-54.24	404.84	1.57	-52.67
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CC1=CC2=C[NH+]=CN2C=C1	REAL300029730659	0	52	0.0	-63.86	405.97	6.66	-57.20
C[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)C1CCSC1	REAL300029730680	0	55	0.0	-79.31	410.96	4.65	-74.66
C[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)C1CCSC1	REAL300029730680	1	55	0.0	-64.61	410.90	4.71	-59.90
C[N@@H+]1CCC(=CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029730706	0	52	0.0	-66.75	390.42	4.03	-62.72
C[N@H+]1CCC(=CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029730706	1	52	0.0	-78.13	390.79	4.09	-74.04
C[NH+](C)CCOCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029730733	0	54	0.0	-60.91	407.43	3.54	-57.37
CCCCC[N@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029730739	0	62	0.0	-77.94	456.19	5.92	-72.02
CCCCC[N@@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029730739	1	62	0.0	-62.11	456.15	5.99	-56.12
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)O1	REAL300029730747	0	58	0.0	-76.03	429.18	4.75	-71.28
C=CCC(C)(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)[NH+](C)C	REAL300029730754	0	57	0.0	-65.00	404.11	4.84	-60.16
C[S+](C)CCC(O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029730759	0	53	0.0	-69.96	416.47	2.17	-67.79
CN1CC[N@H+](C)CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029730788	0	59	0.0	-61.26	421.79	2.68	-58.58
CN1CC[N@@H+](C)CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029730788	1	59	0.0	-61.26	421.79	2.68	-58.58
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)N1CCCC(O)C1	REAL300029730789	0	58	0.0	-57.47	421.68	1.47	-56.00
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)[N@@H+]1CCCC(O)C1	REAL300029730789	1	58	0.0	-71.65	420.22	1.64	-70.01
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)[N@H+]1CCCC(O)C1	REAL300029730789	1	58	0.0	-71.65	420.22	1.64	-70.01
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CN1CCC(CO)CC1	REAL300029730798	0	58	0.0	-59.63	424.98	1.66	-57.97
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C[NH+]1CCC(CO)CC1	REAL300029730798	1	58	0.0	-59.63	424.98	1.66	-57.97
C[N@@H+]1CCCC(O)(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029730807	0	58	0.0	-61.21	409.31	2.73	-58.48
C[N@H+]1CCCC(O)(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029730807	1	58	0.0	-61.21	409.31	2.73	-58.48
CC1CN(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029730810	0	51	0.0	-74.27	383.23	3.64	-70.63
CC1C[NH+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029730810	1	51	0.0	-74.27	383.23	3.64	-70.63
CN(CCO)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029730835	0	51	0.0	-60.63	379.65	-0.08	-60.71
C[N@H+](CCO)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029730835	1	51	0.0	-74.85	379.69	-0.14	-74.99
C[N@@H+](CCO)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029730835	1	51	0.0	-74.85	379.69	-0.14	-74.99
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1C[N@@H+]2CCN1CCC2	REAL300029730854	0	57	0.0	-81.01	399.87	1.77	-79.24
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1C[N@H+]2CCN1CCC2	REAL300029730854	1	57	0.0	-57.16	398.52	2.32	-54.84
CC[N@@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029730858	0	57	0.0	-65.99	407.59	4.89	-61.10
CC[N@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029730858	1	57	0.0	-59.09	413.82	4.77	-54.32
CC(CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)C[NH+](C)C	REAL300029730860	0	56	0.0	-64.79	408.75	4.49	-60.30
CC[N@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029730870	0	50	0.0	-73.84	369.34	3.08	-70.76
CC[N@@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029730870	1	50	0.0	-58.45	369.29	3.16	-55.29
CC[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)C1CC1	REAL300029730910	0	54	0.0	-70.43	400.20	4.44	-65.99
CC[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)C1CC1	REAL300029730910	1	54	0.0	-55.85	397.61	4.49	-51.36
CC[NH+](CC)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029730924	0	56	0.0	-60.50	408.93	4.40	-56.10
C[NH+]1CCC(=CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)CC1	REAL300029730935	0	55	0.0	-75.02	405.85	4.90	-70.12
CC1(O)CC[N@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029730966	1	55	0.0	-59.85	408.08	0.92	-58.93
CC1(O)CC[N@@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029730966	1	55	0.0	-57.46	408.19	0.94	-56.52
C[NH+](C)CC=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029730972	0	51	0.0	-66.78	387.52	3.72	-63.06
CC(OCC[NH+](C)C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029730988	0	57	0.0	-75.31	426.46	4.20	-71.11
C[NH+](C)CCOCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029730996	0	57	0.0	-64.98	428.32	3.29	-61.69
COCC[N@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029730997	1	54	0.0	-74.66	401.94	2.26	-72.40
COCC[N@@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029730997	1	54	0.0	-60.58	401.90	2.32	-58.26
CC(CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)[NH+](C)C	REAL300029731027	0	56	0.0	-62.99	408.93	4.21	-58.78
CC[N@@H+]1CCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029731034	1	51	0.0	-71.63	376.40	3.16	-68.47
CC[N@H+]1CCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029731034	1	51	0.0	-57.99	383.21	3.52	-54.47
CC(C)[N@@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029731043	0	60	0.0	-56.93	424.30	5.51	-51.42
CC(C)[N@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029731043	1	60	0.0	-60.33	430.80	5.41	-54.92
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C[N@@H+]1CCCC1CO	REAL300029731055	0	55	0.0	-57.96	401.24	0.56	-57.40
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C[N@H+]1CCCC1CO	REAL300029731055	1	55	0.0	-73.23	406.07	0.99	-72.24
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300029731074	0	58	0.0	-64.78	419.40	5.29	-59.49
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1CC2CCCC[N@H+]2C1	REAL300029731074	1	58	0.0	-78.24	419.38	5.21	-73.03
C[NH+](C)CC1=CNC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)=C1	REAL300029731081	0	55	0.0	-66.37	418.30	3.96	-62.41
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)[NH+]1CCC(O)CC1	REAL300029731091	1	58	0.0	-58.20	414.93	1.32	-56.88
C=CCC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)[NH+](C)C	REAL300029731099	0	54	0.0	-54.96	399.32	4.19	-50.77
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029731105	0	57	0.0	-62.75	411.62	4.35	-58.40
C[N@H+]1CC(C)(C)CC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029731105	1	57	0.0	-71.02	417.66	4.77	-66.25
C[NH+](C)CCCCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029731109	0	59	0.0	-66.42	438.42	5.40	-61.02
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C[NH+]1CC2CC2C1	REAL300029731117	0	52	0.0	-74.58	386.94	4.29	-70.29
CC1C[N@@H+]2CCN1C(C(=O)NC1CN(C(=O)C3=CC(=O)[N-]O3)CCC1(C)C)C2	REAL300029731142	0	57	0.0	-71.29	404.44	1.56	-69.73
CC1C[N@H+]2CCN1C(C(=O)NC1CN(C(=O)C3=CC(=O)[N-]O3)CCC1(C)C)C2	REAL300029731142	1	57	0.0	-84.35	404.47	1.65	-82.70
CCCC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)[NH+](C)C	REAL300029731143	0	56	0.0	-55.61	406.55	4.42	-51.19
C[N@@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029731177	0	54	0.0	-69.83	393.59	4.01	-65.82
C[N@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029731177	1	54	0.0	-72.21	385.44	3.87	-68.34
C[N@H+]1CC=C(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)CC1	REAL300029731207	0	55	0.0	-71.99	410.83	4.76	-67.23
C[N@@H+]1CC=C(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)CC1	REAL300029731207	1	55	0.0	-62.64	410.71	4.82	-57.82
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CC1([NH+]2CCCC2)CC1	REAL300029731214	0	58	0.0	-71.66	417.00	5.28	-66.38
C[NH+](C)CC1=CC=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)O1	REAL300029731253	1	54	0.0	-69.65	416.22	4.33	-65.32
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C=CC[NH+]1CCCC1	REAL300029731267	0	55	0.0	-78.13	413.91	4.85	-73.28
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1CC[NH+](C2CC2)CC1	REAL300029731285	0	58	0.0	-58.39	425.46	5.55	-52.84
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CC[NH+]1CCCC1	REAL300029731300	0	54	0.0	-60.36	399.98	4.24	-56.12
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1C[NH+]2CCN1CC2	REAL300029731330	0	54	0.0	-70.90	387.97	1.02	-69.88
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C[N@@H+]1CC2CCC1C2	REAL300029731349	0	55	0.0	-70.80	395.85	4.43	-66.37
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C[N@H+]1CC2CCC1C2	REAL300029731349	1	55	0.0	-56.04	396.27	4.47	-51.57
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C=C1C[NH+]2CCC1CC2	REAL300029731386	0	56	0.0	-67.70	408.00	4.84	-62.86
CC[NH+]1CCN(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)CC1	REAL300029731417	0	59	0.0	-72.74	427.86	2.55	-70.19
CC(C[NH+](C)C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029731430	0	53	0.0	-60.82	389.96	3.76	-57.06
C[N@@H+]1CCCCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029731491	0	57	0.0	-50.69	403.41	4.59	-46.10
C[N@H+]1CCCCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029731491	1	57	0.0	-63.59	411.07	4.78	-58.81
CC1=C2C=C(C(=O)NC3CN(C(=O)C4=CC(=O)[N-]O4)CCC3(C)C)C=CN2C=[NH+]1	REAL300029731504	1	52	0.0	-65.56	404.27	6.70	-58.86
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)[NH+]1CC(C)C1	REAL300029731505	1	54	0.0	-71.66	399.13	4.14	-67.52
CC1CC[N@@H+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029731508	1	51	0.0	-57.63	377.75	3.43	-54.20
CC1CC[N@H+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029731508	1	51	0.0	-73.21	383.07	3.52	-69.69
C[NH+](C)CC(O)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029731511	0	54	0.0	-65.60	404.15	1.49	-64.11
CC1C[N@H+](C)CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)O1	REAL300029731533	1	55	0.0	-74.08	403.22	3.37	-70.71
CC1C[N@@H+](C)CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)O1	REAL300029731533	1	55	0.0	-63.95	403.18	3.38	-60.57
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CC[NH+]1CCC(O)CC1	REAL300029731542	0	58	0.0	-64.16	426.19	1.53	-62.63
CCC[N@@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029731544	0	60	0.0	-70.88	423.53	5.24	-65.64
CCC[N@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029731544	1	60	0.0	-59.59	422.06	5.28	-54.31
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029731608	0	54	0.0	-74.63	401.51	4.27	-70.36
CC(CC[NH+](C)C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029731616	0	56	0.0	-75.87	411.65	4.30	-71.57
C[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)[C@@H]1CCC[C@H]1O	REAL300029731632	0	58	0.0	-68.65	422.09	1.79	-66.86
C[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)[C@@H]1CCC[C@H]1O	REAL300029731632	1	58	0.0	-72.24	422.94	1.75	-70.49
C[NH+]1CCN(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)CC1	REAL300029731640	1	56	0.0	-73.64	410.62	1.92	-71.72
CC[NH+]1CCN(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)CC1	REAL300029731649	0	59	0.0	-72.74	427.86	2.55	-70.19
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CSC(N)=[NH2+]	REAL300029731670	0	45	0.0	-60.38	360.09	-0.65	-61.03
CC[N@@H+]1CCOCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029731701	0	58	0.0	-79.90	419.47	2.90	-77.00
C[NH+](C)C1CCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)CC1	REAL300029731714	0	60	0.0	-65.19	430.74	5.46	-59.73
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)CC1	REAL300029731716	0	60	0.0	-67.91	424.20	5.31	-62.60
C[N@@H+]1CC=CCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029731717	0	55	0.0	-58.21	397.92	4.51	-53.70
C[N@H+]1CC=CCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029731717	1	55	0.0	-58.21	397.92	4.51	-53.70
C[C@@H](OCC[NH+](C)C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029731737	0	57	0.0	-58.18	427.16	4.24	-53.94
C[NH+]1C2CCC1CC(C(=O)NC1CN(C(=O)C3=CC(=O)[N-]O3)CCC1(C)C)C2	REAL300029731757	0	58	0.0	-74.80	386.83	4.47	-70.33
C[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029731852	0	51	0.0	-69.76	377.66	3.50	-66.26
C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029731852	1	51	0.0	-62.03	371.61	3.04	-58.99
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CC[N@@H+]1CCC(F)C1	REAL300029731859	0	54	0.0	-80.40	405.76	4.17	-76.23
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CC[N@H+]1CCC(F)C1	REAL300029731859	1	54	0.0	-65.28	406.10	4.42	-60.86
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CC[NH+]1CCCCCC1	REAL300029731874	0	60	0.0	-77.58	425.62	5.03	-72.55
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C[NH+]1CCCCC1	REAL300029731876	0	54	0.0	-57.56	393.28	4.35	-53.21
CC1C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)CC[N@@H+]1C	REAL300029731884	0	54	0.0	-56.40	392.82	3.74	-52.66
CC1C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)CC[N@H+]1C	REAL300029731884	1	54	0.0	-63.30	391.72	3.60	-59.70
C[N@@H+]1CCCCC1CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029731886	0	60	0.0	-64.87	425.65	5.24	-59.63
C[N@H+]1CCCCC1CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029731886	1	60	0.0	-65.71	425.87	5.33	-60.38
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1CC[N@@H+]2CCOCC12	REAL300029731910	0	56	0.0	-65.08	410.51	2.77	-62.31
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1CC[N@H+]2CCOCC12	REAL300029731910	1	56	0.0	-62.11	404.75	3.04	-59.07
CC1=[NH+]C=C2C=CC(C(=O)NC3CN(C(=O)C4=CC(=O)[N-]O4)CCC3(C)C)=CN21	REAL300029731915	0	52	0.0	-72.40	403.55	5.84	-66.56
C[N@@H+]1CCOCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029731929	1	55	0.0	-81.92	401.63	2.26	-79.66
C[N@H+]1CCOCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029731929	1	55	0.0	-63.88	402.00	2.33	-61.55
CC1=C(C)[NH+]=C(CCC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)N1	REAL300029731937	1	55	0.0	-70.21	421.84	3.69	-66.52
C[N@@H+]1CCCC1C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029732104	0	51	0.0	-72.97	373.51	3.20	-69.77
C[N@H+]1CCCC1C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029732104	1	51	0.0	-70.76	377.54	3.52	-67.24
C[N@@H+]1CCOC(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029732130	1	52	0.0	-81.50	387.61	3.01	-78.49
C[N@H+]1CCOC(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029732130	1	52	0.0	-83.14	388.64	3.03	-80.11
CC1=[NH+]C=CN1CCCC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029732290	1	55	0.0	-69.25	425.76	5.71	-63.54
CC1(C)CCN(C(=O)CC[NH+]2CCOCC2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029732295	1	55	0.0	-79.97	410.07	2.73	-77.24
CC1(C)CCN(C(=O)C23CCC[NH+]2CCC3)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029732320	0	55	0.0	-64.02	391.29	4.07	-59.95
CC1(C)CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029732329	1	49	0.0	-80.88	389.30	6.06	-74.82
C[NH+](C)C1CCCC(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029732383	0	60	0.0	-69.00	433.06	5.47	-63.53
C[N@@H+]1CCC(CC(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029732386	0	54	0.0	-77.96	402.03	4.33	-73.63
C[N@H+]1CCC(CC(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029732386	1	54	0.0	-78.20	400.64	4.32	-73.88
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029732398	0	53	0.0	-84.80	407.62	2.41	-82.39
CCC(C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029732403	0	53	0.0	-65.49	384.95	3.76	-61.73
C[NH+](C)CCCCC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029732465	0	56	0.0	-79.10	420.16	4.86	-74.24
CC(C)C(C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029732487	0	56	0.0	-72.39	393.17	4.19	-68.20
CCC[N@H+](C)CCC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029732489	0	56	0.0	-78.15	416.40	4.69	-73.46
CCC[N@@H+](C)CCC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029732489	1	56	0.0	-78.12	416.40	4.69	-73.43
CCC[N@H+](C)CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029732494	0	53	0.0	-74.09	394.04	4.10	-69.99
CCC[N@@H+](C)CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029732494	1	53	0.0	-67.98	394.05	4.17	-63.81
CC1(C)CCN(C(=O)C23CC[N@H+](C2)CCC3)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029732517	0	55	0.0	-77.88	388.29	3.51	-74.37
CC1(C)CCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029732517	1	55	0.0	-72.62	388.36	3.62	-69.00
CCCCCC[N@H+](C)CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029732549	0	62	0.0	-75.35	458.52	6.42	-68.93
CCCCCC[N@@H+](C)CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029732549	1	62	0.0	-69.06	458.55	6.52	-62.54
CC[NH+](CC)C(C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300029732553	0	62	0.0	-69.55	432.38	5.28	-64.27
CC1CC[NH+](CC(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029732585	0	57	0.0	-74.74	417.37	5.15	-69.59
C[NH+]1CCC(OCC(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029732611	0	58	0.0	-83.61	434.75	4.84	-78.77
CC1(C)CCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029732653	0	58	0.0	-69.96	418.29	5.29	-64.67
CC1(C)CCN(C(=O)C2CC3CCCC[N@H+]3C2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029732653	1	58	0.0	-76.84	421.87	5.34	-71.50
C[NH+](C)CC1(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029732664	0	54	0.0	-78.19	403.08	4.32	-73.87
CC(C)[NH+]1CCC(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029732675	0	60	0.0	-73.97	433.49	5.51	-68.46
CC[N@H+](C)CCC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029732696	0	53	0.0	-77.30	394.90	3.95	-73.35
CC[N@@H+](C)CCC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029732696	1	53	0.0	-71.62	394.86	4.04	-67.58
CC(C)(C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029732722	0	60	0.0	-73.14	416.16	4.93	-68.21
CC1(C)CCN(C(=O)C2C[NH+]3CCC2CC3)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029732730	0	55	0.0	-74.43	390.78	4.24	-70.19
C[NH+]1CCC(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029732805	0	54	0.0	-61.95	398.74	4.24	-57.71
CC(C)[C@H](C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029732823	0	56	0.0	-72.63	394.75	4.20	-68.43
CC[NH+](CC)CC(F)C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029732909	0	56	0.0	-82.39	413.55	4.45	-77.94
CC(C)C[N@@H+]1CCC(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029732941	0	60	0.0	-68.03	435.29	5.61	-62.42
CC(C)C[N@H+]1CCC(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029732941	1	60	0.0	-53.15	438.22	5.67	-47.48
C[NH+](C)C1(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300029732945	0	54	0.0	-76.63	379.72	3.51	-73.12
CCC(C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029732976	0	59	0.0	-66.16	413.22	5.29	-60.87
CC1CCC[N@@H+]1CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029732996	0	54	0.0	-70.15	393.47	4.04	-66.11
CC1CCC[N@H+]1CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029732996	1	54	0.0	-70.12	393.50	4.04	-66.08
CC(C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300029733051	0	60	0.0	-54.47	419.45	5.02	-49.45
CC(C)[N@@H+]1CCCCC1C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029733053	0	60	0.0	-63.91	425.62	5.21	-58.70
CC(C)[N@H+]1CCCCC1C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029733053	1	60	0.0	-68.53	418.58	4.91	-63.62
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029733074	0	57	0.0	-65.30	409.51	4.66	-60.64
CC(C)[N@H+]1CCCC1C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029733074	1	57	0.0	-68.72	409.11	4.50	-64.22
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029733080	0	60	0.0	-64.45	426.29	4.92	-59.53
CC(C)[N@H+]1CCCC1CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029733080	1	60	0.0	-58.64	421.90	4.91	-53.73
CC(C)[C@@H](C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029733093	0	56	0.0	-72.09	397.45	4.34	-67.75
CC1CC[N@H+](CC(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029733113	0	54	0.0	-66.95	400.11	4.42	-62.53
CC1CC[N@@H+](CC(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029733113	1	54	0.0	-68.13	400.80	4.48	-63.65
CC1(C)CC[N@H+](CC(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029733117	0	57	0.0	-67.21	419.80	5.02	-62.19
CC1(C)CC[N@@H+](CC(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029733117	1	57	0.0	-73.10	419.74	4.90	-68.20
C[N@H+](CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029733118	0	59	0.0	-74.07	422.65	5.07	-69.00
C[N@@H+](CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029733118	1	59	0.0	-67.54	424.60	5.30	-62.24
CC[C@@H](C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029733126	0	53	0.0	-69.38	379.17	3.48	-65.90
CC1=[NH+]C=CN1CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029733316	1	49	0.0	-70.18	383.19	4.24	-65.94
CC(C[NH+]1CCOCC1)C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029733317	0	58	0.0	-72.50	423.68	3.27	-69.23
CC1(C)CCN(C(=O)CCC[NH+]2CCCCC2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029733333	0	60	0.0	-76.95	440.30	5.96	-70.99
C[NH+](C)CC1=CC(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300029733348	1	53	0.0	-81.84	410.74	3.97	-77.87
CC1=C(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300029733349	0	52	0.0	-77.32	405.73	6.21	-71.11
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029733383	1	55	0.0	-69.08	420.46	5.42	-63.66
CC1(C)CCN(C(=O)C2CCCC3CCC[N@@H+]32)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029733414	0	58	0.0	-70.89	407.19	4.75	-66.14
CC1(C)CCN(C(=O)C2CCCC3CCC[N@H+]32)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029733414	1	58	0.0	-65.48	419.24	5.43	-60.05
CC[N@@H+]1CCOC(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029733431	1	55	0.0	-79.53	398.54	3.40	-76.13
CC[N@H+]1CCOC(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029733431	1	55	0.0	-62.11	392.55	3.70	-58.41
CC1(C)CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029733482	0	49	0.0	-62.24	389.55	6.04	-56.20
CC1=C[NH+]=CN1CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029733487	1	49	0.0	-73.64	384.58	5.02	-68.62
C[C@@H]1[C@H](C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029733501	0	54	0.0	-74.54	390.86	4.02	-70.52
C[C@@H]1[C@H](C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029733501	1	54	0.0	-79.64	396.13	3.94	-75.70
CC[C@@H]1[C@@H](C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029733505	0	57	0.0	-72.21	412.30	4.37	-67.84
CC[C@@H]1[C@@H](C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029733505	1	57	0.0	-76.97	412.19	4.51	-72.46
CC1CCC(C)[NH+]1CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029733516	0	57	0.0	-65.65	411.67	4.64	-61.01
CC1(C)CCN(C(=O)CCC[NH+]2CCCC2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029733522	0	57	0.0	-76.37	423.04	5.14	-71.23
C#CC[NH+]1CCC(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029733528	0	56	0.0	-61.01	423.03	5.39	-55.62
CC1(C)CCN(C(=O)CC[NH+]2CCCCC2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029733529	0	57	0.0	-76.41	418.80	5.14	-71.27
CC[N@@H+]1CCCCC1C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029733536	0	57	0.0	-62.57	401.88	4.45	-58.12
CC[N@H+]1CCCCC1C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029733536	1	57	0.0	-67.15	412.30	4.90	-62.25
C[NH+](C)C1(CC(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029733576	0	60	0.0	-75.39	418.65	5.25	-70.14
C[N@H+](CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029733717	0	54	0.0	-71.39	401.04	4.66	-66.73
C[N@@H+](CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029733717	1	54	0.0	-72.04	400.93	4.64	-67.40
CC(C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300029733739	0	60	0.0	-72.65	422.68	5.36	-67.29
CC1(C)CCN(C(=O)CCCC[NH+]2CCCC2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029733751	0	60	0.0	-77.56	446.13	6.03	-71.53
C[NH+]1CCC(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029733762	0	54	0.0	-61.95	398.74	4.24	-57.71
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029733803	0	51	0.0	-74.68	373.73	3.21	-71.47
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029733803	1	51	0.0	-70.81	377.54	3.52	-67.29
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029733826	1	53	0.0	-68.09	399.86	4.51	-63.58
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029733826	1	53	0.0	-72.27	406.81	4.85	-67.42
C[N@@H+]1CCCC1CCC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029733832	0	57	0.0	-73.83	422.17	5.29	-68.54
C[N@H+]1CCCC1CCC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029733832	1	57	0.0	-70.54	416.71	4.82	-65.72
CC1(C)CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029733841	0	58	0.0	-89.61	402.40	4.33	-85.28
CC1(C)CCN(C(=O)C2CCC3CCCC[N@@H+]32)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029733844	0	58	0.0	-70.19	414.31	5.14	-65.05
CC1(C)CCN(C(=O)C2CCC3CCCC[N@H+]32)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029733844	1	58	0.0	-67.82	414.42	5.20	-62.62
CCC[N@@H+]1CCCC(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029733913	0	60	0.0	-54.95	428.81	5.70	-49.25
CCC[N@H+]1CCCC(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029733913	1	60	0.0	-49.42	437.04	5.62	-43.80
CC(C)[N@@H+]1CCOC(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029733928	1	58	0.0	-83.53	422.19	4.12	-79.41
CC(C)[N@H+]1CCOC(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029733928	1	58	0.0	-66.13	423.07	4.19	-61.94
C[N@@H+]1CCCCC1C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029733951	0	54	0.0	-70.92	384.18	3.72	-67.20
C[N@H+]1CCCCC1C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029733951	1	54	0.0	-73.99	387.38	3.96	-70.03
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029733974	0	60	0.0	-70.89	434.94	5.57	-65.32
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029733974	1	60	0.0	-65.75	426.07	5.06	-60.69
CC1(C)CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029733989	0	58	0.0	-69.85	428.21	1.92	-67.93
CC1C(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029734032	0	54	0.0	-66.48	395.65	4.05	-62.43
CC1C(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029734032	1	54	0.0	-66.32	392.19	3.81	-62.51
C[N@@H+]1CCCCC1CCC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029734034	0	60	0.0	-73.49	428.74	5.53	-67.96
C[N@H+]1CCCCC1CCC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029734034	1	60	0.0	-81.42	428.80	5.44	-75.98
CC1(C)CCN(C(=O)C2=CC3=C(CCC3)[NH+]=C2N)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734065	1	54	0.0	-60.43	411.94	3.56	-56.87
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029734123	0	57	0.0	-72.00	393.76	3.70	-68.30
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029734123	1	57	0.0	-68.33	396.89	3.66	-64.67
C[C@@H](C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029734141	0	50	0.0	-71.93	371.22	3.06	-68.87
C=CCC(C)(C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029734158	0	57	0.0	-61.85	400.47	4.23	-57.62
CC1(C)CCN(C(=O)CC[NH+]2CCCC2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734180	0	54	0.0	-70.78	403.12	4.53	-66.25
C[N@H+](CCO)CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029734190	1	51	0.0	-68.16	382.91	0.19	-67.97
C[N@@H+](CCO)CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029734190	1	51	0.0	-74.61	382.69	0.12	-74.49
CC1(C)CCN(C(=O)C2C[N@@H+]3CCN2CCC3)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734226	0	57	0.0	-82.07	400.56	1.90	-80.17
CC1(C)CCN(C(=O)C2C[N@H+]3CCN2CCC3)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734226	1	57	0.0	-85.95	397.64	2.03	-83.92
CC(C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300029734247	1	55	0.0	-74.54	405.51	4.32	-70.22
C[N@H+]1CC=C(CC(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029734279	0	55	0.0	-72.93	413.92	5.05	-67.88
C[N@@H+]1CC=C(CC(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029734279	1	55	0.0	-64.49	413.95	5.13	-59.36
C[S+](C)CCC(O)C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029734294	0	53	0.0	-84.22	415.46	2.18	-82.04
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029734312	0	55	0.0	-72.08	395.83	0.09	-71.99
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029734312	1	55	0.0	-77.86	392.98	0.44	-77.42
CN1CC[N@H+](C)CC(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029734322	0	59	0.0	-50.65	427.25	2.75	-47.90
CN1CC[N@@H+](C)CC(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029734322	1	59	0.0	-66.53	420.82	2.72	-63.81
CC(C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300029734323	0	58	0.0	-70.31	423.80	1.54	-68.77
CC(C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300029734323	1	58	0.0	-70.71	423.90	1.62	-69.09
CC1(C)CCN(C(=O)C2=C(N)[NH+]=CC3=C2CCC3)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734350	0	54	0.0	-72.05	415.91	3.46	-68.59
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029734356	0	58	0.0	-70.28	415.39	2.86	-67.42
C[N@H+]1CCCC(O)(CC(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029734356	1	58	0.0	-70.25	412.49	3.05	-67.20
CC1C[NH+](CC(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029734361	1	51	0.0	-74.98	384.81	3.80	-71.18
CC[N@@H+]1CCCC(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029734368	0	57	0.0	-71.87	416.57	4.94	-66.93
CC[N@H+]1CCCC(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029734368	1	57	0.0	-62.19	407.48	5.01	-57.18
CC1(C)CCN(C(=O)CC2=CC=C[NH+]=C2N)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734374	0	50	0.0	-68.98	389.05	2.53	-66.45
CC1(C)CCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734386	0	55	0.0	-69.02	405.30	4.82	-64.20
CC1(C)CCN(C(=O)C2CCC[N@H+]2C2CC2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734386	1	55	0.0	-64.56	405.40	4.94	-59.62
CC1(C)CCN(C(=O)C=CC[NH+]2CCCC2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734428	0	55	0.0	-80.24	414.30	4.97	-75.27
CC1(C)CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734449	0	58	0.0	-59.41	423.57	5.45	-53.96
CC[N@H+](C)CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029734492	0	50	0.0	-67.89	372.55	3.43	-64.46
CC1(C)CCN(C(=O)CN2CC3C=CC2C3)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734543	0	53	0.0	-65.59	394.35	4.65	-60.94
CC1(C)CCN(C(=O)C[N@@H+]2CC3C=CC2C3)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734543	1	53	0.0	-65.74	393.95	4.64	-61.10
CC1(C)CCN(C(=O)C[N@H+]2CC3C=CC2C3)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734543	1	53	0.0	-65.74	393.95	4.64	-61.10
CC1(C)CCN(C(=O)C23CCC[N@@H+]2CCCC3)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734662	0	58	0.0	-65.22	403.92	4.58	-60.64
CC1(C)CCN(C(=O)C23CCC[N@H+]2CCCC3)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734662	1	58	0.0	-65.22	403.92	4.58	-60.64
CC1(C)CCN(C(=O)C23CCC[N@@H+]2CC=CC3)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734669	0	56	0.0	-67.56	395.02	4.19	-63.37
CC1(C)CCN(C(=O)C23CCC[N@H+]2CC=CC3)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734669	1	56	0.0	-67.56	395.02	4.19	-63.37
CC(OCC[NH+](C)C)C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029734679	0	57	0.0	-71.33	425.98	4.22	-67.11
C[NH+](C)CCOCCC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029734688	0	57	0.0	-76.72	431.62	3.51	-73.21
COCCN(C)CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029734690	0	54	0.0	-74.17	404.89	2.53	-71.64
COCC[N@H+](C)CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029734690	1	54	0.0	-68.48	405.16	2.59	-65.89
COCC[N@@H+](C)CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029734690	1	54	0.0	-68.48	405.16	2.59	-65.89
CC(CCC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029734695	0	56	0.0	-82.02	408.44	4.45	-77.57
CC[N@H+](CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029734720	0	54	0.0	-72.93	396.15	4.58	-68.35
CC1C[N@@H+]2CCN1C(C(=O)N1CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029734735	0	57	0.0	-73.23	404.06	1.43	-71.80
C[N@@H+]1CC2CC1(C(=O)N1CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029734758	0	52	0.0	-76.28	381.45	3.68	-72.60
CC1=NC(N)=CC=C1C=CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029734767	0	54	0.0	-73.26	418.70	3.45	-69.81
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029734767	1	54	0.0	-73.26	418.70	3.45	-69.81
CC1(C)CCN(C(=O)C[N@@H+]2CC3CCC2C3)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734773	0	55	0.0	-64.29	399.16	4.67	-59.62
CC1(C)CCN(C(=O)C[N@H+]2CC3CCC2C3)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734773	1	55	0.0	-64.29	399.16	4.67	-59.62
CC(C[NH+](C)C)C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029734793	0	53	0.0	-69.63	392.03	3.86	-65.77
CCN1CCC1C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029734841	0	51	0.0	-69.29	385.43	3.66	-65.63
CC[N@@H+]1CCC1C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029734841	1	51	0.0	-74.43	385.93	3.60	-70.83
CC[N@H+]1CCC1C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029734841	1	51	0.0	-74.43	385.93	3.60	-70.83
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029734853	0	60	0.0	-78.53	433.56	5.40	-73.13
CC(C)[N@H+]1CCCC(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029734853	1	60	0.0	-69.25	425.31	5.63	-63.62
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029734868	0	59	0.0	-68.07	419.03	3.39	-64.68
C#CC[N@H+]1CCCCC1C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029734909	1	56	0.0	-68.25	419.78	5.48	-62.77
C#CC[N@@H+]1CCCCC1C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029734909	1	56	0.0	-72.22	412.75	5.19	-67.03
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029734910	1	53	0.0	-63.85	407.85	3.41	-60.44
CC1(C)CCN(C(=O)C2=C[NH+]=CC=C2N)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734911	0	47	0.0	-76.85	365.93	0.60	-76.25
CCCC(C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029734920	0	56	0.0	-70.07	404.19	4.36	-65.71
C[NH+](C)C(C)(C)C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029734927	0	53	0.0	-70.37	375.46	3.20	-67.17
CC(CC[NH+](C)C)C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029734945	0	56	0.0	-76.31	415.63	4.56	-71.75
CC1(C)CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735012	0	56	0.0	-74.72	412.20	5.29	-69.43
CC1(C)CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735012	1	56	0.0	-75.28	407.91	6.07	-69.21
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029735046	0	57	0.0	-61.65	413.44	4.44	-57.21
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029735046	1	57	0.0	-69.39	410.44	4.41	-64.98
C[NH+](C)CCCCCC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029735051	0	59	0.0	-78.12	441.66	5.64	-72.48
CC1(C)CCN(C(=O)CC[NH+]2CCC(O)CC2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735055	0	58	0.0	-80.12	429.44	1.77	-78.35
CCC[N@@H+]1CCCCC1C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029735059	0	60	0.0	-67.30	433.45	5.66	-61.64
CCC[N@H+]1CCCCC1C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029735059	1	60	0.0	-62.83	433.52	5.67	-57.16
C[NH+]1CCN(CC(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029735068	1	56	0.0	-74.80	414.10	2.18	-72.62
CC1C[N@H+](C)CC(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029735161	1	55	0.0	-71.37	409.71	3.76	-67.61
CC1C[N@@H+](C)CC(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029735161	1	55	0.0	-90.65	401.55	3.31	-87.34
CCC1CCC[N@H+](CC(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029735193	0	60	0.0	-68.67	435.76	5.87	-62.80
CCC1CCC[N@@H+](CC(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029735193	1	60	0.0	-68.81	435.77	5.88	-62.93
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029735201	0	55	0.0	-92.19	416.62	4.24	-87.95
CC1(C)CCN(C(=O)C[NH+]2CC3CC3C2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735216	0	52	0.0	-74.34	390.28	4.57	-69.77
CC1(C)CCN(C(=O)CC2([NH+]3CCCC3)CC2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735229	0	58	0.0	-72.40	419.93	5.49	-66.91
C[N@@H+]1CCCCC1C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029735266	0	54	0.0	-70.92	384.18	3.72	-67.20
C[N@H+]1CCCCC1C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029735266	1	54	0.0	-73.99	387.38	3.96	-70.03
C[N@@H+]1CCC(=CC(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029735381	0	52	0.0	-74.11	392.60	4.30	-69.81
C[N@H+]1CCC(=CC(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029735381	1	52	0.0	-71.84	392.54	4.32	-67.52
CC1(C)CCN(C(=O)CNC2=CC=[NH+]C=C2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735386	0	50	0.0	-72.24	390.51	2.03	-70.21
CC[NH+]1CCN(CC(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029735440	0	59	0.0	-73.60	431.07	2.81	-70.79
CC1(C)CCN(C(=O)C=C2C[NH+]3CCC2CC3)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735443	0	56	0.0	-68.62	410.18	5.10	-63.52
C[NH+](C)C1(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029735478	0	57	0.0	-64.52	396.14	4.01	-60.51
C[N@H+](CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029735489	0	58	0.0	-64.16	425.76	1.95	-62.21
C[N@@H+](CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029735489	1	58	0.0	-66.01	425.77	1.97	-64.04
CCC1C[NH+](CC(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029735493	0	54	0.0	-75.55	407.47	4.51	-71.04
CC1(C)CCN(C(=O)C2([NH+]3CCCC3)CCC2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735497	0	58	0.0	-75.87	411.53	4.86	-71.01
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029735511	0	51	0.0	-64.22	376.61	3.53	-60.69
C[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029735511	1	51	0.0	-62.30	373.16	3.29	-59.01
CC[N@@H+]1CCOCC1CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029735539	0	58	0.0	-74.94	418.40	3.10	-71.84
CC1(C)CCN(C(=O)C2=CC=C3NC(N)=NC3=C2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735620	0	51	0.0	-71.47	399.50	3.70	-67.77
CC1(C)CCN(C(=O)C2=CC=C3NC(N)=[NH+]C3=C2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735620	1	51	0.0	-71.47	399.50	3.70	-67.77
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029735654	0	54	0.0	-67.24	403.69	4.46	-62.78
C[NH+](C)C1CCC(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029735668	0	60	0.0	-70.98	423.67	5.21	-65.77
C[NH+](C)CCC1(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029735669	0	57	0.0	-61.41	417.51	5.19	-56.22
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029735671	0	60	0.0	-71.02	423.65	5.23	-65.79
C[N@@H+]1CC=CCC1CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029735672	0	55	0.0	-56.39	401.03	4.81	-51.58
C[N@H+]1CC=CCC1CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029735672	1	55	0.0	-56.39	401.03	4.81	-51.58
CC1=CC(C=CC(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)=CN=C1N	REAL300029735720	0	54	0.0	-77.90	418.89	3.75	-74.15
CC1=CC(C=CC(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)=C[NH+]=C1N	REAL300029735720	1	54	0.0	-77.90	418.89	3.75	-74.15
C[NH+](C)CCOCC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029735732	0	54	0.0	-74.49	410.67	3.80	-70.69
CCCCC[N@H+](C)CCC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029735738	0	62	0.0	-79.01	459.39	6.25	-72.76
CCCCC[N@@H+](C)CCC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029735738	1	62	0.0	-79.01	459.39	6.25	-72.76
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029735749	0	58	0.0	-76.75	430.42	4.49	-72.26
CC1(C)CCN(C(=O)CN2C=CSC2=[NH2+])CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735773	0	47	0.0	-70.05	381.87	2.86	-67.19
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029735842	0	57	0.0	-73.82	427.17	4.26	-69.56
CC1(C)CCN(C(=O)CC[NH+]2CCCCCC2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735880	0	60	0.0	-77.21	429.26	5.71	-71.50
CC1(C)CCN(C(=O)C[NH+]2CCCCC2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735884	0	54	0.0	-68.64	396.53	4.62	-64.02
C[N@@H+]1CCCC(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029735886	0	54	0.0	-53.75	389.84	4.37	-49.38
C[N@H+]1CCCC(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029735886	1	54	0.0	-60.80	389.63	4.40	-56.40
CC1(C)CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735887	0	58	0.0	-69.85	428.21	1.92	-67.93
CC1(C)CCN(C(=O)C[NH+]2CCCCCC2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735888	0	57	0.0	-73.53	405.94	4.72	-68.81
CN1C=C[N+](CC(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029735893	0	49	0.0	-63.64	386.05	6.27	-57.37
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029735909	1	54	0.0	-86.58	416.15	4.40	-82.18
CC1(C)CCN(C(=O)C[NH+]2CCC(O)CC2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735925	1	55	0.0	-74.14	407.62	1.27	-72.87
C[N@H+](CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029735930	0	51	0.0	-65.25	384.06	4.15	-61.10
C[N@@H+](CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029735930	1	51	0.0	-65.28	384.19	4.17	-61.11
CC(C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300029735932	1	59	0.0	-74.16	423.44	2.32	-71.84
CC1(C)CCN(C(=O)CC[N@@H+]2CCC(F)C2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735934	0	54	0.0	-75.75	409.38	4.61	-71.14
CC1(C)CCN(C(=O)CC[N@H+]2CCC(F)C2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735934	1	54	0.0	-75.67	408.98	4.61	-71.06
COC1C[N@H+](C)C(C)(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029735944	0	58	0.0	-69.25	416.96	2.40	-66.85
COC1C[N@@H+](C)C(C)(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029735944	1	58	0.0	-61.40	415.54	2.19	-59.21
CC(CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029735961	0	56	0.0	-77.81	411.99	4.74	-73.07
CC1(C)CCN(C(=O)C2CC[N@@H+]3CCOCC23)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735976	0	56	0.0	-78.53	410.84	2.92	-75.61
CC1(C)CCN(C(=O)C2CC[N@H+]3CCOCC23)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735976	1	56	0.0	-70.59	403.48	2.76	-67.83
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(C)(C)C(NC(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300029735981	0	52	0.0	-73.63	410.63	5.79	-67.84
C[N@@H+]1CCOCC1CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029735995	1	55	0.0	-57.80	397.95	2.48	-55.32
C[N@H+]1CCOCC1CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029735995	1	55	0.0	-57.80	397.88	2.48	-55.32
CC[NH+]1CCN(CC(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029736003	0	59	0.0	-73.60	431.07	2.81	-70.79
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029736055	1	50	0.0	-78.13	387.07	1.92	-76.21
CC1(C)CCN(C(=O)CCC2=CC=C(N)[NH+]=C2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029736058	0	53	0.0	-75.38	413.82	3.22	-72.16
CC1(O)CC[N@H+](CC(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029736097	0	55	0.0	-67.16	410.79	1.17	-65.99
CC1(O)CC[N@@H+](CC(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029736097	1	55	0.0	-67.17	410.74	1.17	-66.00
C[NH+]1CC(CC(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029736131	0	51	0.0	-77.00	386.09	3.54	-73.46
CC1(C)CCN(C(=O)C2CC[N@@H+]2C2CCCC2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029736136	0	58	0.0	-74.99	426.05	5.58	-69.41
CC1(C)CCN(C(=O)C2CC[N@H+]2C2CCCC2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029736136	1	58	0.0	-75.05	424.53	5.45	-69.60
C[NH+](C)CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029736144	0	47	0.0	-74.61	354.80	2.67	-71.94
C[N@H+](CCO)CCC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029736172	0	54	0.0	-76.67	405.25	0.73	-75.94
C[N@@H+](CCO)CCC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029736172	1	54	0.0	-76.39	405.20	0.70	-75.69
C[C@@H](C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029736173	0	50	0.0	-71.93	371.22	3.06	-68.87
C[N@@H+]1CCCCC1CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029736193	0	57	0.0	-55.66	406.54	4.86	-50.80
C[N@H+]1CCCCC1CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029736193	1	57	0.0	-55.63	406.55	4.85	-50.78
CC1=C2C=C(C(=O)N3CCC(C)(C)C(NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029736213	1	52	0.0	-78.40	411.21	6.62	-71.78
CC(C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300029736214	0	54	0.0	-72.36	403.83	4.19	-68.17
CC1CC[N@@H+]1CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029736218	1	51	0.0	-71.90	380.56	3.49	-68.41
CC1CC[N@H+]1CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029736218	1	51	0.0	-66.12	380.54	3.55	-62.57
C[NH+](C)CC=CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029736231	0	51	0.0	-75.03	390.95	4.03	-71.00
CC1(C)C[NH+](CC(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029736244	1	54	0.0	-74.73	405.19	4.25	-70.48
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029736262	1	55	0.0	-70.59	425.98	4.05	-66.54
CC1=C2C=C(C(=O)N3CCC(C)(C)C(NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029736273	1	52	0.0	-78.40	411.21	6.62	-71.78
C[NH+](C)CCSCC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029736282	0	54	0.0	-82.64	421.70	4.69	-77.95
CC1(C)CCN(C(=O)C[N@@H+]2CCCC2CO)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029736307	0	55	0.0	-67.19	404.45	0.83	-66.36
CC1(C)CCN(C(=O)C[N@H+]2CCCC2CO)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029736307	1	55	0.0	-68.44	409.39	1.41	-67.03
CC[NH+](CC)CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029736311	0	53	0.0	-72.19	386.21	3.73	-68.46
C[N@H+](CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029736321	0	55	0.0	-75.70	414.27	4.99	-70.71
C[N@@H+](CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029736321	1	55	0.0	-70.29	414.09	5.02	-65.27
CC1(C)CCN(C(=O)C[NH+]2CCC2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029736323	1	48	0.0	-74.71	365.11	3.13	-71.58
CC[NH+](CC)CCC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029736369	0	56	0.0	-76.66	408.40	4.37	-72.29
C[NH+](C)CC1=CNC(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029736431	0	55	0.0	-81.69	418.05	4.18	-77.51
CC(C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300029736448	0	58	0.0	-73.47	415.83	1.26	-72.21
CC1(C)CCN(C(=O)C2CC3COCC[N@@H+]3C2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029736454	0	56	0.0	-74.50	409.71	2.91	-71.59
CC1(C)CCN(C(=O)C2CC3COCC[N@H+]3C2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029736454	1	56	0.0	-78.01	408.76	2.80	-75.21
CC(C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029736468	1	51	0.0	-71.84	373.64	3.22	-68.62
CCC(CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029736474	0	59	0.0	-84.23	429.64	5.35	-78.88
CC1(C)CCN(C(=O)C=CC2=CC=C(N)[NH+]=C2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029736481	0	51	0.0	-82.26	401.10	2.91	-79.35
C[NH+](C)CC(C)(C)C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029736482	0	56	0.0	-66.60	393.61	4.00	-62.60
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029736540	0	54	0.0	-63.17	384.15	3.80	-59.37
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029736540	1	54	0.0	-69.47	395.28	4.26	-65.21
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029736554	0	57	0.0	-83.44	404.31	1.27	-82.17
CC1CN2CC[N@H+]1CC2C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029736554	1	57	0.0	-81.69	404.29	1.37	-80.32
C[NH+](C)CC(O)CC(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029736575	0	54	0.0	-81.75	407.28	1.74	-80.01
C[NH+]1C2CCC1CC(C(=O)N1CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029736578	0	58	0.0	-59.50	413.18	4.75	-54.75
C=CCC(C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029736610	0	54	0.0	-69.38	394.80	4.05	-65.33
CC1(C)CCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029736618	0	58	0.0	-69.96	418.29	5.29	-64.67
CC1(C)CCN(C(=O)C2CC3CCCC[N@H+]3C2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029736618	1	58	0.0	-76.84	421.87	5.34	-71.50
C[NH+]1CCC(C)(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029736629	0	57	0.0	-59.10	402.44	4.26	-54.84
C[NH+]1CCC(O)(CC(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029736631	0	58	0.0	-78.06	425.30	3.01	-75.05
CC1=C2C=C(C(=O)NC3CN(C(=O)C4=CC(=O)[N-]O4)CCC3(C)C)C=CN2C=[NH+]1	REAL300029736701	1	52	0.0	-65.56	404.27	6.70	-58.86
C[NH+](C)CCSCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029736709	0	54	0.0	-68.09	418.46	4.41	-63.68
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1CC2COCC[N@@H+]2C1	REAL300029736716	0	56	0.0	-62.56	410.53	2.98	-59.58
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1CC2COCC[N@H+]2C1	REAL300029736716	1	56	0.0	-73.05	410.31	2.88	-70.17
C[N@@H+]1CCCC1C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029736877	0	55	0.0	-65.78	395.18	4.27	-61.51
C[N@H+]1CCCC1C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029736877	1	55	0.0	-71.32	395.21	4.37	-66.95
C[N@@H+]1CCOC(C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029736901	1	56	0.0	-68.91	405.84	4.12	-64.79
C[N@H+]1CCOC(C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029736901	1	56	0.0	-78.86	405.79	4.13	-74.73
CC1=[NH+]C=CN1CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737038	1	53	0.0	-66.46	404.61	5.34	-61.12
C[C@@H]1[C@H](C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC[N@@H+]1C	REAL300029737059	0	58	0.0	-66.35	412.21	4.82	-61.53
C[C@@H]1[C@H](C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC[N@H+]1C	REAL300029737059	1	58	0.0	-69.39	416.29	5.34	-64.05
C[N@H+](CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CCC1	REAL300029737094	0	58	0.0	-67.89	421.33	5.71	-62.18
C[N@@H+](CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CCC1	REAL300029737094	1	58	0.0	-68.80	421.41	5.72	-63.08
C[NH+]1CCC(C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300029737125	0	58	0.0	-73.72	419.82	5.40	-68.32
CC1=C[NH+]=CN1CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737151	1	53	0.0	-64.06	403.94	6.03	-58.03
C[N@@H+]1CCC(CC(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029737158	0	58	0.0	-72.03	422.26	5.32	-66.71
C[N@H+]1CCC(CC(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029737158	1	58	0.0	-72.20	421.56	5.34	-66.86
CCC(C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029737161	0	57	0.0	-63.08	403.66	4.98	-58.10
C[NH+](C)CCCCC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737177	0	60	0.0	-68.69	440.61	5.89	-62.80
CCC[N@H+](C)CCC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737182	0	60	0.0	-66.80	436.84	5.70	-61.10
CCC[N@@H+](C)CCC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737182	1	60	0.0	-67.01	436.84	5.69	-61.32
CCC[N@H+](C)CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737183	0	57	0.0	-65.00	414.47	5.14	-59.86
CCC[N@@H+](C)CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737183	1	57	0.0	-64.88	414.47	5.13	-59.75
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737197	0	55	0.0	-71.56	395.18	4.28	-67.28
C[N@H+]1CCC[C@@H]1C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737197	1	55	0.0	-63.56	401.91	4.92	-58.64
CC[NH+](CC)CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737208	0	57	0.0	-63.66	411.50	5.18	-58.48
C[NH+](C)CC1(C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300029737256	0	58	0.0	-79.31	424.54	5.78	-73.53
C[NH+]1CCC(C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300029737275	0	58	0.0	-73.72	419.82	5.40	-68.32
CC[N@H+](C)CCC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737312	0	57	0.0	-72.03	415.33	4.95	-67.08
CC[N@@H+](C)CCC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737312	1	57	0.0	-71.86	415.33	4.94	-66.92
CC1CCC[N@@H+]1CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737323	0	58	0.0	-67.09	413.90	5.10	-61.99
CC1CCC[N@H+]1CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737323	1	58	0.0	-67.64	420.19	5.42	-62.22
CC1CC[N@H+](CC(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029737324	0	58	0.0	-70.05	420.92	5.61	-64.44
CC1CC[N@@H+](CC(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029737324	1	58	0.0	-69.32	420.56	5.41	-63.91
CC[C@@H](C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029737326	0	57	0.0	-65.50	407.88	4.89	-60.61
C[NH+](C)CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737359	0	51	0.0	-65.51	375.24	3.73	-61.78
CN1C=C[N+](CC(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)=C1	REAL300029737360	0	53	0.0	-67.43	406.47	7.24	-60.19
C[N@@H+]1CCCC(C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029737363	0	58	0.0	-67.17	420.14	5.48	-61.69
C[N@H+]1CCCC(C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029737363	1	58	0.0	-62.41	413.89	5.67	-56.74
CC(C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+]1CCC1	REAL300029737371	1	55	0.0	-62.99	403.00	4.77	-58.22
C[N@H+](CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300029737381	0	55	0.0	-62.54	404.51	5.14	-57.40
C[N@@H+](CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300029737381	1	55	0.0	-68.22	404.64	5.14	-63.08
C[NH+]1CC(CC(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029737391	0	55	0.0	-67.82	406.35	4.48	-63.34
C[C@@H](C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029737404	0	54	0.0	-67.90	393.10	4.24	-63.66
C[N@H+](CCO)CCC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737441	0	58	0.0	-67.00	425.69	1.73	-65.27
C[N@@H+](CCO)CCC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737441	1	58	0.0	-71.78	425.56	1.74	-70.04
C[C@@H](C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029737442	0	54	0.0	-67.90	393.10	4.24	-63.66
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737445	0	58	0.0	-62.21	407.85	5.18	-57.03
C[N@H+]1CCCC[C@@H]1C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737445	1	58	0.0	-64.70	418.05	5.39	-59.31
C[N@@H+]1CCC(=CC(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029737478	0	56	0.0	-74.63	414.12	5.27	-69.36
C[N@H+]1CCC(=CC(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029737478	1	56	0.0	-74.47	413.15	5.30	-69.17
C[NH+](C)CCOCC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737487	0	58	0.0	-66.19	431.15	4.90	-61.29
C[C@H](C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029737497	0	54	0.0	-70.23	393.98	4.23	-66.00
CC1C[NH+](CC(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029737513	1	55	0.0	-64.73	406.51	4.84	-59.89
C[N@H+](CCO)CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737525	1	55	0.0	-64.88	403.32	1.16	-63.72
C[N@@H+](CCO)CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737525	1	55	0.0	-70.21	403.28	1.17	-69.04
CC(CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C[NH+](C)C	REAL300029737535	0	60	0.0	-68.82	432.75	5.85	-62.97
CC[N@H+](C)CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737537	0	54	0.0	-64.63	392.97	4.40	-60.23
CC[N@@H+](C)CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737537	1	54	0.0	-64.54	392.97	4.40	-60.14
CC[N@H+](CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300029737549	0	58	0.0	-66.52	424.41	5.77	-60.75
CC[N@@H+](CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300029737549	1	58	0.0	-62.37	420.95	5.75	-56.62
CC[NH+](CC)CCC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737555	0	60	0.0	-66.45	428.79	5.48	-60.97
C[NH+](C)CC=CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737569	0	55	0.0	-68.61	412.47	4.98	-63.63
COCC[N@H+](C)CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737576	1	58	0.0	-69.81	425.52	3.58	-66.23
COCC[N@@H+](C)CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737576	1	58	0.0	-64.93	425.57	3.56	-61.37
CC(CCC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029737586	0	60	0.0	-67.38	429.26	5.52	-61.86
CC[N@@H+]1CCC1C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737592	1	55	0.0	-64.68	407.24	4.83	-59.85
CC[N@H+]1CCC1C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737592	1	55	0.0	-64.75	407.21	4.81	-59.94
C=CCC(C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029737615	0	58	0.0	-65.55	423.54	5.53	-60.02
O=C(C[NH+]1CC2CC2C1)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737622	0	56	0.0	-64.50	410.70	5.63	-58.87
CCCC(C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300029737630	0	60	0.0	-66.26	430.32	5.74	-60.52
C[N@@H+]1CCCCC1C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737640	0	58	0.0	-61.29	417.81	5.41	-55.88
C[N@H+]1CCCCC1C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737640	1	58	0.0	-62.16	407.70	5.18	-56.98
O=C(CC[NH+]1CCCC1)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737675	0	58	0.0	-65.64	423.57	5.46	-60.18
CC(C[NH+](C)C)C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737714	0	57	0.0	-66.59	413.73	5.10	-61.49
CC(C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+]1CC(C)C1	REAL300029737735	1	58	0.0	-63.98	423.53	5.59	-58.39
CC1CC[N@@H+]1CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737736	1	55	0.0	-63.21	401.06	4.55	-58.66
CC1CC[N@H+]1CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737736	1	55	0.0	-68.29	401.02	4.54	-63.75
C[NH+](C)CC(O)CC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737737	0	58	0.0	-71.07	428.11	2.84	-68.23
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300029737768	0	58	0.0	-68.91	424.90	5.46	-63.45
CC(CC[NH+](C)C)C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737770	0	60	0.0	-67.19	435.28	5.60	-61.59
NC(=[NH2+])SCC(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737790	0	49	0.0	-66.96	384.09	0.72	-66.24
C[N@@H+]1CCC[C@H]1C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737850	0	55	0.0	-67.64	401.31	4.77	-62.87
C[N@H+]1CCC[C@H]1C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737850	1	55	0.0	-67.43	395.30	4.30	-63.13
O=C(C[NH+]1CCCCC1)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737859	0	58	0.0	-69.77	416.96	5.60	-64.17
CC1C(C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC[N@@H+]1C	REAL300029737862	0	58	0.0	-66.53	421.46	5.39	-61.14
CC1C(C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC[N@H+]1C	REAL300029737862	1	58	0.0	-68.10	421.40	5.42	-62.68
C[N@@H+]1CCCC1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029738040	0	55	0.0	-65.60	403.06	4.84	-60.76
C[N@H+]1CCCC1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029738040	1	55	0.0	-69.61	397.08	4.49	-65.12
C[N@@H+]1CCOC(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029738066	1	56	0.0	-81.25	404.68	4.04	-77.21
C[N@H+]1CCOC(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029738066	1	56	0.0	-79.73	404.51	4.08	-75.65
C[N@@H+]1CCC(CC(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029738218	0	58	0.0	-69.13	425.43	5.62	-63.51
C[N@H+]1CCC(CC(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029738218	1	58	0.0	-70.49	424.85	5.64	-64.85
CCC(C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029738221	0	57	0.0	-64.11	408.37	5.01	-59.10
C[NH+](C)CCCCC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029738236	0	60	0.0	-75.54	443.83	6.18	-69.36
CC(C)C(C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029738242	0	60	0.0	-67.81	421.30	5.55	-62.26
CCC[N@H+](C)CCC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029738243	0	60	0.0	-70.35	440.01	6.01	-64.34
CCC[N@@H+](C)CCC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029738243	1	60	0.0	-69.95	440.02	5.99	-63.96
CCC[N@H+](C)CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029738244	0	57	0.0	-67.83	417.67	5.39	-62.44
CCC[N@@H+](C)CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029738244	1	57	0.0	-72.06	417.68	5.40	-66.66
C[NH+](C)CC1(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029738289	0	58	0.0	-77.85	426.46	5.55	-72.30
CC[N@H+](C)CCC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029738297	0	57	0.0	-74.29	418.56	5.27	-69.02
CC[N@@H+](C)CCC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029738297	1	57	0.0	-69.26	418.52	5.25	-64.01
C[NH+]1CCC(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029738326	0	58	0.0	-78.86	422.35	5.56	-73.30
CC(C)[C@H](C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029738341	0	60	0.0	-67.91	421.67	5.54	-62.37
C[NH+](C)C1(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300029738378	0	58	0.0	-71.01	403.03	4.87	-66.14
CC1CCC[N@@H+]1CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029738404	0	58	0.0	-68.62	417.14	5.38	-63.24
CC1CCC[N@H+]1CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029738404	1	58	0.0	-65.19	423.38	5.67	-59.52
CC(C)[C@@H](C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029738418	0	60	0.0	-68.27	417.61	5.50	-62.77
CC1CC[N@H+](CC(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029738426	0	58	0.0	-71.27	423.79	5.67	-65.60
CC1CC[N@@H+](CC(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029738426	1	58	0.0	-67.01	424.48	5.71	-61.30
CC[C@@H](C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029738429	0	57	0.0	-65.02	402.69	4.81	-60.21
CC1=[NH+]C=CN1CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029738473	1	53	0.0	-64.18	407.83	5.59	-58.59
CC1=C[NH+]=CN1CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029738501	1	53	0.0	-68.96	408.19	6.33	-62.63
C[C@@H]1[C@H](C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300029738503	0	58	0.0	-78.39	414.08	4.95	-73.44
C[C@@H]1[C@H](C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300029738503	1	58	0.0	-67.06	419.74	5.26	-61.80
C[N@H+](CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300029738545	0	58	0.0	-69.25	424.59	5.96	-63.29
C[N@@H+](CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300029738545	1	58	0.0	-70.22	424.68	5.98	-64.24
C[NH+]1CCC(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029738554	0	58	0.0	-78.86	422.35	5.56	-73.30
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029738568	0	55	0.0	-67.73	396.86	4.54	-63.19
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029738568	1	55	0.0	-68.26	403.32	4.84	-63.42
C[N@@H+]1CCCCC1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029738617	0	58	0.0	-73.71	410.79	5.20	-68.51
C[N@H+]1CCCCC1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029738617	1	58	0.0	-66.86	418.90	5.58	-61.28
CC1C(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300029738653	0	58	0.0	-69.72	419.20	5.28	-64.44
CC1C(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300029738653	1	58	0.0	-73.44	420.76	5.33	-68.11
C[C@@H](C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029738698	0	54	0.0	-70.80	395.13	4.38	-66.42
O=C(CC[NH+]1CCCC1)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029738717	0	58	0.0	-73.75	426.76	5.76	-67.99
C[N@H+](CCO)CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029738722	1	55	0.0	-73.37	406.53	1.42	-71.95
C[N@@H+](CCO)CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029738722	1	55	0.0	-67.59	406.30	1.42	-66.17
CC1C[NH+](CC(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029738780	1	55	0.0	-68.18	409.74	5.06	-63.12
NC1=[NH+]C=CC=C1CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029738786	0	54	0.0	-63.65	412.68	3.84	-59.81
CC[N@H+](C)CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029738822	0	54	0.0	-67.57	396.17	4.65	-62.92
CC[N@@H+](C)CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029738822	1	54	0.0	-67.67	396.16	4.66	-63.01
COCC[N@H+](C)CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029738883	1	58	0.0	-67.13	428.56	3.82	-63.31
COCC[N@@H+](C)CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029738883	1	58	0.0	-73.63	428.78	3.83	-69.80
CC(CCC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029738885	0	60	0.0	-73.00	435.74	5.78	-67.22
CC[N@H+](CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029738891	0	58	0.0	-63.95	427.52	6.04	-57.91
CC[N@@H+](CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029738891	1	58	0.0	-70.52	419.80	5.90	-64.62
C[N@@H+]1CC2CC1(C(=O)N1CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300029738906	0	56	0.0	-77.19	405.32	5.07	-72.12
C[N@H+]1CC2CC1(C(=O)N1CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300029738906	1	56	0.0	-72.20	405.50	5.09	-67.11
CC(C[NH+](C)C)C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029738917	0	57	0.0	-74.88	414.93	5.07	-69.81
C[NH+](C)C1(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300029738923	0	55	0.0	-71.56	397.65	4.43	-67.13
C[C@H](C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029738936	0	54	0.0	-64.25	394.43	4.32	-59.93
CC[N@@H+]1CCC1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029738939	0	55	0.0	-71.70	409.46	4.94	-66.76
CC[N@H+]1CCC1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029738939	1	55	0.0	-71.73	409.55	4.96	-66.77
NC1=CC=[NH+]C=C1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029738961	0	51	0.0	-74.75	389.38	1.90	-72.85
CCCC(C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029738966	0	60	0.0	-72.89	429.51	5.78	-67.11
C[NH+](C)C(C)(C)C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029738969	0	57	0.0	-75.74	398.74	4.45	-71.29
CC(CC[NH+](C)C)C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029738980	0	60	0.0	-69.09	437.28	5.70	-63.39
O=C(C[NH+]1CC2CC2C1)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029739055	0	56	0.0	-67.59	413.90	5.88	-61.71
C[N@@H+]1CCCCC1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029739067	0	58	0.0	-73.71	410.79	5.20	-68.51
C[N@H+]1CCCCC1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029739067	1	58	0.0	-66.86	418.90	5.58	-61.28
C[N@@H+]1CCC(=CC(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029739098	0	56	0.0	-72.93	415.37	5.58	-67.35
C[N@H+]1CCC(=CC(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029739098	1	56	0.0	-75.55	415.13	5.59	-69.96
O=C(CNC1=CC=[NH+]C=C1)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029739099	0	54	0.0	-73.20	414.15	3.26	-69.94
CCC1C[NH+](CC(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029739128	0	58	0.0	-73.01	431.10	5.82	-67.19
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029739133	0	55	0.0	-68.59	401.11	4.83	-63.76
C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029739133	1	55	0.0	-69.48	397.12	4.50	-64.98
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029739183	0	58	0.0	-65.43	427.38	5.73	-59.70
C[NH+](C)CCOCC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029739203	0	58	0.0	-71.26	434.31	5.11	-66.15
O=C(C[NH+]1CCCCC1)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029739247	0	58	0.0	-67.21	420.17	5.86	-61.35
C[N@@H+]1CCCC(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029739248	0	58	0.0	-76.09	422.59	5.54	-70.55
C[N@H+]1CCCC(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029739248	1	58	0.0	-74.48	413.45	5.41	-69.07
CN1C=C[N+](CC(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300029739249	0	53	0.0	-70.37	409.69	7.50	-62.87
C[N@H+](CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029739260	0	55	0.0	-68.51	407.72	5.39	-63.12
C[N@@H+](CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029739260	1	55	0.0	-69.70	407.86	5.40	-64.30
CC(CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300029739271	0	60	0.0	-75.04	435.73	6.06	-68.98
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029739304	1	54	0.0	-75.36	409.40	3.23	-72.13
C[NH+]1CC(CC(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029739331	0	55	0.0	-74.61	409.72	4.86	-69.75
C[NH+](C)CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029739338	0	51	0.0	-72.35	378.43	3.99	-68.36
C[N@H+](CCO)CCC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029739348	0	58	0.0	-68.53	428.87	2.04	-66.49
C[N@@H+](CCO)CCC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029739348	1	58	0.0	-73.89	428.85	2.02	-71.87
C[C@@H](C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029739349	0	54	0.0	-70.80	395.13	4.38	-66.42
CC(C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CC(C)C1	REAL300029739363	0	58	0.0	-63.49	427.39	5.48	-58.01
CC1CC[N@@H+]1CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029739364	0	55	0.0	-71.44	409.70	5.07	-66.37
CC1CC[N@H+]1CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029739364	1	55	0.0	-71.48	409.77	5.05	-66.43
C[NH+](C)CC=CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029739367	0	55	0.0	-77.44	413.31	5.21	-72.23
CC1(C)C[NH+](CC(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029739371	1	58	0.0	-67.53	428.84	5.56	-61.97
CC[NH+](CC)CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029739389	0	57	0.0	-70.40	410.05	5.06	-65.34
O=C(C[NH+]1CCC1)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029739395	1	52	0.0	-67.81	388.78	4.46	-63.35
CC[NH+](CC)CCC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029739416	0	60	0.0	-73.38	436.41	5.95	-67.43
CC(C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC1	REAL300029739451	0	55	0.0	-63.54	406.42	4.87	-58.67
C[NH+](C)CC(C)(C)C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029739456	0	60	0.0	-73.52	418.07	5.37	-68.15
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029739477	0	58	0.0	-74.43	411.01	5.21	-69.22
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029739477	1	58	0.0	-65.76	417.74	5.50	-60.26
C[NH+](C)CC(O)CC(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029739488	0	58	0.0	-78.04	431.06	3.07	-74.97
C=CCC(C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029739502	0	58	0.0	-64.59	422.17	5.54	-59.05
C[N@@H+]1CCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029739700	0	45	0.0	-69.24	354.09	2.49	-66.75
C[N@H+]1CCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029739700	1	45	0.0	-69.88	353.68	2.48	-67.40
C[N@@H+]1CCOC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029739724	1	46	0.0	-78.62	364.43	1.74	-76.88
C[N@H+]1CCOC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029739724	1	46	0.0	-71.74	358.07	1.69	-70.05
CC(C)C1=[NH+]C=CN1CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029739899	1	52	0.0	-67.19	412.52	4.44	-62.75
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[NH+]1CCCCCC1	REAL300029739906	0	54	0.0	-68.32	396.15	3.86	-64.46
CC(C)[N@@H+]1CCCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029739908	0	54	0.0	-66.50	394.07	3.84	-62.66
CC(C)[N@H+]1CCCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029739908	1	54	0.0	-62.79	396.68	3.88	-58.91
CC(C)[N@@H+]1CCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029739934	0	51	0.0	-71.36	376.57	3.86	-67.50
CC(C)[N@H+]1CCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029739934	1	51	0.0	-67.67	374.13	3.20	-64.47
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CC2CCCC[N@@H+]2C1	REAL300029739958	0	52	0.0	-73.97	394.93	4.16	-69.81
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CC2CCCC[N@H+]2C1	REAL300029739958	1	52	0.0	-66.31	395.96	4.17	-62.14
CC(C)C1=[NH+]C=CN1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029739986	1	49	0.0	-67.21	392.81	4.03	-63.18
CC1=[NH+]C=CN1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029740034	1	43	0.0	-64.68	358.12	3.05	-61.63
CC(C[NH+]1CCOCC1)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029740036	0	52	0.0	-69.30	398.52	2.14	-67.16
O=C(CCC[NH+]1CCCCC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029740056	0	54	0.0	-69.07	414.17	4.68	-64.39
CC(C)(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[NH+]1CCCCC1	REAL300029740080	0	54	0.0	-70.72	396.74	4.36	-66.36
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1C[NH+]2CCC1CC2	REAL300029740096	0	49	0.0	-73.60	369.01	3.20	-70.40
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CCCC2CCC[N@@H+]21	REAL300029740147	0	52	0.0	-68.18	383.81	3.85	-64.33
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CCCC2CCC[N@H+]21	REAL300029740147	1	52	0.0	-64.32	390.27	4.08	-60.24
C[NH+](C)CCN1C=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C=N1	REAL300029740149	0	51	0.0	-80.03	410.09	2.87	-77.16
C[NH+](C)CCN1C=CC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)=N1	REAL300029740159	0	51	0.0	-81.54	411.76	2.80	-78.74
C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC[N@@H+]1C	REAL300029740165	0	48	0.0	-72.87	362.04	2.21	-70.66
C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC[N@H+]1C	REAL300029740165	1	48	0.0	-73.92	369.45	2.91	-71.01
CCC1=[NH+]C=CN1C(C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029740168	1	52	0.0	-66.99	413.01	4.50	-62.49
CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC[N@@H+]1C	REAL300029740171	0	51	0.0	-69.29	385.64	3.00	-66.29
CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC[N@H+]1C	REAL300029740171	1	51	0.0	-70.72	387.94	3.40	-67.32
CC[N@@H+]1CCOC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029740194	1	49	0.0	-77.47	375.13	2.22	-75.25
CC[N@H+]1CCOC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029740194	1	49	0.0	-69.06	373.82	2.25	-66.81
CC[NH+](CC)CC(F)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029740247	0	50	0.0	-70.57	385.08	3.08	-67.49
C[NH+](C)CC1=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)SC=C1	REAL300029740248	0	48	0.0	-66.14	392.78	4.03	-62.11
CC1CCC(C)[NH+]1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029740343	0	51	0.0	-67.76	384.38	3.18	-64.58
O=C(CCC[NH+]1CCCC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029740349	0	51	0.0	-69.66	398.49	3.99	-65.67
C[NH+](C)CC1=CC=CC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)=C1	REAL300029740350	0	51	0.0	-74.40	405.61	4.78	-69.62
C#CC[NH+]1CCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029740357	0	50	0.0	-73.43	398.43	4.31	-69.12
O=C(CC[NH+]1CCCCC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029740358	0	51	0.0	-71.95	389.78	3.80	-68.15
C[NH+](C)CC1=CC=CC=C1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029740362	0	51	0.0	-63.38	396.64	5.09	-58.29
CC[N@@H+]1CCCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029740369	0	51	0.0	-67.76	387.34	3.65	-64.11
CC[N@H+]1CCCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029740369	1	51	0.0	-68.13	377.22	3.35	-64.78
CC(C)C(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[NH+]1CCCCC1	REAL300029740370	0	57	0.0	-66.63	416.48	4.75	-61.88
C[NH+](C)C(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=CC=CC=C1	REAL300029740373	1	51	0.0	-66.73	400.44	4.86	-61.87
CC(C)C[N@@H+]1CCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029740393	0	54	0.0	-68.85	413.26	4.27	-64.58
CC(C)C[N@H+]1CCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029740393	1	54	0.0	-72.23	411.48	4.26	-67.97
C[NH+](C)C1(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CCC1	REAL300029740397	0	48	0.0	-76.25	357.82	2.91	-73.34
C[NH+](C)C(CN1C=CC=N1)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029740398	1	51	0.0	-73.39	404.28	3.20	-70.19
CC(C)[N@@H+]1CCCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029740403	0	54	0.0	-62.50	399.86	3.52	-58.98
CC(C)[N@H+]1CCCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029740403	1	54	0.0	-67.89	407.42	3.93	-63.96
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CCC[N@@H+]1C1CCCC1	REAL300029740404	0	55	0.0	-66.76	403.74	5.12	-61.64
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CCC[N@H+]1C1CCCC1	REAL300029740404	1	55	0.0	-70.39	404.56	5.31	-65.08
CC(C)[C@@H](C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[NH+](C)C	REAL300029740423	0	50	0.0	-67.97	373.24	3.37	-64.60
C[N@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CCC1	REAL300029740479	0	48	0.0	-70.80	373.49	3.40	-67.40
C[N@@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CCC1	REAL300029740479	1	48	0.0	-67.55	372.08	3.35	-64.20
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[NH+]1C(C)CCC1C	REAL300029740554	0	54	0.0	-65.20	395.83	3.41	-61.79
CN(CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=CC=[NH+]C=C1	REAL300029740618	0	50	0.0	-68.26	401.87	3.06	-65.20
C[N@@H+]1CCCC1CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029740636	0	51	0.0	-73.21	393.22	3.87	-69.34
C[N@H+]1CCCC1CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029740636	1	51	0.0	-72.25	389.27	3.41	-68.84
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C12CCC[NH+](CCC1)C2	REAL300029740648	0	52	0.0	-72.91	384.45	3.49	-69.42
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CCC2CCCC[N@@H+]21	REAL300029740655	0	52	0.0	-63.64	389.15	3.78	-59.86
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CCC2CCCC[N@H+]21	REAL300029740655	1	52	0.0	-66.41	386.42	3.85	-62.56
CC(C)(C[NH+]1CCOCC1)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029740663	0	55	0.0	-71.61	409.12	2.60	-69.01
O=C(CCCC[NH+]1CCCC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029740682	0	54	0.0	-72.92	418.71	4.72	-68.20
C[N@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)CC1=CC=CC=C1	REAL300029740684	1	51	0.0	-76.58	403.72	4.89	-71.69
C[N@@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)CC1=CC=CC=C1	REAL300029740684	1	51	0.0	-72.45	405.37	5.04	-67.41
C[NH+]1CCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029740699	0	48	0.0	-76.40	371.65	2.94	-73.46
C[NH+](C)CC1=CC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)=NO1	REAL300029740753	1	47	0.0	-80.98	386.53	2.45	-78.53
CC1=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C=CC2=C[NH+]=CN21	REAL300029740754	0	46	0.0	-76.36	379.84	5.09	-71.27
C[N@@H+]1CCCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029740789	1	48	0.0	-69.75	357.94	2.80	-66.95
C[N@H+]1CCCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029740789	1	48	0.0	-64.42	370.93	3.00	-61.42
CC(C)C[N@@H+]1CCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029740816	0	54	0.0	-67.77	402.52	3.96	-63.81
CC(C)C[N@H+]1CCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029740816	1	54	0.0	-68.72	411.70	4.50	-64.22
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=CN2C=[NH+]C=C2C=C1	REAL300029740946	0	43	0.0	-69.96	358.83	4.97	-64.99
CC1=[NH+]C=CN1CCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029740956	1	49	0.0	-69.68	396.76	4.28	-65.40
O=C(CCCC[NH+]1CCOCC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029740960	1	55	0.0	-75.82	424.05	2.97	-72.85
C[NH+](C)CC1=CC=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C=C1	REAL300029740966	0	51	0.0	-76.23	406.80	4.94	-71.29
O=C(CC[NH+]1CCOCC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029740967	1	49	0.0	-72.09	383.93	1.44	-70.65
CCC[NH+](CCC)CCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029740989	0	59	0.0	-72.37	443.79	5.28	-67.09
CC1=C[NH+]=CN1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029741007	1	43	0.0	-72.29	355.76	3.59	-68.70
O=C(CN1C=[NH+]C2=C1CCCC2)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029741014	1	50	0.0	-66.01	400.27	5.51	-60.50
C[NH+](C)CC1(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CCCCC1	REAL300029741055	0	57	0.0	-68.12	412.43	4.91	-63.21
C[N@H+](CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CCCCC1	REAL300029741061	0	57	0.0	-73.27	425.87	4.89	-68.38
C[N@@H+](CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CCCCC1	REAL300029741061	1	57	0.0	-73.45	425.88	4.89	-68.56
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C12CCC[NH+]1CCC2	REAL300029741063	0	49	0.0	-68.70	372.65	3.40	-65.30
C[NH+](C)C1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029741100	0	54	0.0	-72.68	405.88	4.13	-68.55
C[N@@H+]1CCC(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029741103	0	48	0.0	-71.68	372.52	2.91	-68.77
C[N@H+]1CCC(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029741103	1	48	0.0	-74.68	371.72	2.81	-71.87
CN(C)C1=CC=[NH+]C=C1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029741115	0	47	0.0	-76.01	376.49	2.16	-73.85
CCC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[NH+](C)C	REAL300029741120	0	47	0.0	-66.83	356.10	2.28	-64.55
C[NH+](C)C1(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CCCC1	REAL300029741137	0	54	0.0	-74.77	391.25	3.82	-70.95
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=CC2=C[NH+]=CN2C=C1	REAL300029741192	1	43	0.0	-76.57	357.50	4.80	-71.77
C[NH+](C)CCCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029741261	0	50	0.0	-74.20	391.15	3.51	-70.69
CC(C)C(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[NH+](C)C	REAL300029741282	0	50	0.0	-71.59	375.65	3.58	-68.01
CCC[N@H+](C)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029741284	0	50	0.0	-73.37	387.38	3.33	-70.04
CCC[N@@H+](C)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029741284	1	50	0.0	-73.47	387.38	3.32	-70.15
CCC[N@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029741290	0	47	0.0	-72.32	367.05	2.84	-69.48
CCC[N@@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029741290	1	47	0.0	-72.62	366.29	2.70	-69.92
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C12CC[N@H+](C1)CCC2	REAL300029741317	0	49	0.0	-75.58	369.71	2.65	-72.93
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C12CC[N@@H+](C1)CCC2	REAL300029741317	1	49	0.0	-69.68	370.20	2.68	-67.00
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029741367	0	45	0.0	-73.14	347.11	1.82	-71.32
C[N@H+]1CCC[C@@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029741367	1	45	0.0	-68.87	353.43	2.37	-66.50
CC1CC2CCC(C(=O)NC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3F)C[N@@H+]2C1	REAL300029741391	0	55	0.0	-65.50	409.13	4.84	-60.66
CC1CC2CCC(C(=O)NC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3F)C[N@H+]2C1	REAL300029741391	1	55	0.0	-62.16	410.63	5.02	-57.14
CCCCCC[N@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029741436	0	56	0.0	-69.50	432.39	5.21	-64.29
CCCCCC[N@@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029741436	1	56	0.0	-73.55	431.54	5.18	-68.37
CC[NH+](CC)C(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C(C)C	REAL300029741443	0	56	0.0	-65.26	405.92	4.70	-60.56
CC[NH+](CC)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029741452	0	47	0.0	-70.47	357.93	2.39	-68.08
CCC[N@@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029741485	0	54	0.0	-68.77	409.52	4.39	-64.38
CCC[N@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029741485	1	54	0.0	-68.42	412.39	4.47	-63.95
CC(C)[N@@H+]1CCOC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029741506	1	52	0.0	-66.78	393.53	2.89	-63.89
CC(C)[N@H+]1CCOC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029741506	1	52	0.0	-76.02	397.70	2.93	-73.09
CC1CC[NH+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029741542	0	51	0.0	-71.53	388.37	3.85	-67.68
C[NH+]1CCC(OCC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029741576	0	52	0.0	-76.50	407.41	3.39	-73.11
C[NH+](C)CC1(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029741591	0	48	0.0	-68.41	370.60	3.58	-64.83
CC1=[NH+]C=C2CCC(C(=O)NC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3F)CN21	REAL300029741592	1	50	0.0	-66.89	395.06	4.15	-62.74
CC(C)[NH+]1CCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029741682	0	54	0.0	-69.45	407.56	4.29	-65.16
C[NH+]1CCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029741706	0	48	0.0	-76.40	371.65	2.94	-73.46
CC(C)[C@H](C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[NH+](C)C	REAL300029741727	0	50	0.0	-66.05	373.93	2.99	-63.06
CCC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[NH+](CC)CC	REAL300029741761	0	53	0.0	-66.47	388.78	3.45	-63.02
CC[N@H+](C)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029741835	0	47	0.0	-72.71	367.56	2.50	-70.21
CC[N@@H+](C)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029741835	1	47	0.0	-72.80	367.56	2.50	-70.30
CC1CCC[N@@H+]1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029741902	0	48	0.0	-67.77	370.87	3.03	-64.74
CC1CCC[N@H+]1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029741902	1	48	0.0	-68.38	370.71	3.04	-65.34
CC1CC[N@H+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029741904	0	48	0.0	-66.77	374.64	3.00	-63.77
CC1CC[N@@H+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029741904	1	48	0.0	-69.99	371.13	3.04	-66.95
CC1=[NH+]C=C2CC(C(=O)NC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3F)CCN21	REAL300029741906	1	50	0.0	-67.62	395.07	4.11	-63.51
CC1(C)CC[N@H+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029741909	0	51	0.0	-70.22	390.74	3.62	-66.60
CC1(C)CC[N@@H+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029741909	1	51	0.0	-71.37	392.75	3.67	-67.70
C[N@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)CC(C)(C)C	REAL300029741910	0	53	0.0	-72.42	394.97	3.73	-68.69
C[N@@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)CC(C)(C)C	REAL300029741910	1	53	0.0	-68.91	395.78	3.88	-65.03
CC[C@@H](C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[NH+](C)C	REAL300029741921	0	47	0.0	-70.64	360.92	2.49	-68.15
CC(COCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[NH+]1CCCC1	REAL300029741929	0	55	0.0	-71.20	425.97	4.17	-67.03
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CC[NH+](CC2CC2)CC1	REAL300029742007	0	55	0.0	-72.58	422.39	5.32	-67.26
C[NH+]1CCC(O)(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029742143	0	52	0.0	-71.28	399.17	1.74	-69.54
COCC[N@@H+]1CCCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029742150	0	55	0.0	-69.97	415.20	2.67	-67.30
COCC[N@H+]1CCCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029742150	1	55	0.0	-72.49	418.45	2.34	-70.15
C[NH+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029742158	0	41	0.0	-73.08	327.39	1.41	-71.67
O=C(C[NH+]1CCC(CO)CC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029742163	1	52	0.0	-72.57	399.20	0.54	-72.03
O=C(C[NH+]1CCCCCC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029742167	0	51	0.0	-70.82	376.75	3.41	-67.41
CN1C=C[N+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)=C1	REAL300029742172	0	43	0.0	-65.84	359.92	4.95	-60.89
C[N@@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029742181	0	48	0.0	-72.49	370.34	2.98	-69.51
C[N@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029742181	1	48	0.0	-70.41	370.38	2.97	-67.44
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CCC[N@@H+]1C1CC1	REAL300029742186	0	49	0.0	-70.47	372.76	3.92	-66.55
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CCC[N@H+]1C1CC1	REAL300029742186	1	49	0.0	-66.82	380.14	3.81	-63.01
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[NH+]1CCC1	REAL300029742218	1	45	0.0	-66.48	356.86	2.54	-63.94
CCC(CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C[NH+](C)C	REAL300029742227	0	53	0.0	-73.43	396.30	3.88	-69.55
C[NH+](C)CC(C)(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029742235	0	50	0.0	-71.47	378.04	3.06	-68.41
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C12CC(C1)C[N@@H+]2C1CC1	REAL300029742255	1	50	0.0	-64.69	385.36	3.95	-60.74
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C12CC(C1)C[N@H+]2C1CC1	REAL300029742255	1	50	0.0	-69.43	382.08	4.52	-64.91
O=C(C[NH+]1CCC(O)CC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029742271	1	49	0.0	-75.65	378.61	-0.11	-75.76
C[N@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CC1	REAL300029742272	0	45	0.0	-68.31	355.05	2.78	-65.53
C[N@@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CC1	REAL300029742272	1	45	0.0	-68.49	355.19	2.78	-65.71
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)N1CC[NH+](C)CC1	REAL300029742273	1	53	0.0	-69.83	396.74	1.18	-68.65
C[NH+]1CC(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029742297	0	45	0.0	-72.22	358.90	2.12	-70.10
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CC[N@@H+]1C1CCCC1	REAL300029742301	0	52	0.0	-70.30	395.19	3.89	-66.41
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CC[N@H+]1C1CCCC1	REAL300029742301	1	52	0.0	-71.44	391.64	3.68	-67.76
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029742309	1	51	0.0	-68.11	367.29	1.78	-66.33
CC(C)(C)[N@H+]1CCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029742309	1	51	0.0	-68.48	372.07	2.46	-66.02
C[C@@H](C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[NH+](C)C	REAL300029742321	0	44	0.0	-67.03	346.44	1.87	-65.16
CCC1CCC[N@H+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029742368	0	54	0.0	-72.28	408.73	4.53	-67.75
CCC1CCC[N@@H+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029742368	1	54	0.0	-68.41	402.64	4.51	-63.90
C[NH+](C)CC1=CC=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)N1	REAL300029742376	0	49	0.0	-79.80	393.98	2.84	-76.96
C[NH+]1C2CCC1CC(CC(=O)NC1CCN(C(=O)C3=CC(=O)[N-]O3)CC1F)C2	REAL300029742389	0	55	0.0	-69.45	394.06	3.79	-65.66
[NH2+]=C1SC=CN1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029742432	0	41	0.0	-65.29	355.74	1.64	-63.65
C[N@H+](CCO)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029742444	0	48	0.0	-72.94	376.23	-0.64	-73.58
C[N@@H+](CCO)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029742444	1	48	0.0	-71.89	376.27	-0.70	-72.59
C[C@@H](C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[NH+](C)C	REAL300029742445	0	44	0.0	-67.03	346.44	1.87	-65.16
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029742449	1	48	0.0	-66.44	358.06	2.79	-63.65
C[N@H+]1CCCC[C@@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029742449	1	48	0.0	-67.81	369.30	2.99	-64.82
CC1CN2CC[N@@H+]1CC2C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029742459	0	51	0.0	-70.05	381.12	0.30	-69.75
CC1CN2CC[N@H+]1CC2C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029742459	1	51	0.0	-78.39	380.09	0.37	-78.02
COC1C[N@@H+]2CCCC2(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029742500	0	53	0.0	-75.21	403.68	2.32	-72.89
COC1C[N@H+]2CCCC2(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029742500	1	53	0.0	-68.96	403.66	2.30	-66.66
O=C(CC1=CC2=C[NH+]=CN2C=C1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029742514	0	46	0.0	-69.03	380.24	5.54	-63.49
C[N@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CCSC1	REAL300029742541	0	49	0.0	-74.88	388.16	3.69	-71.19
C[N@@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CCSC1	REAL300029742541	1	49	0.0	-78.12	386.32	3.53	-74.59
C[NH+](C)CC1=CC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)=CC=N1	REAL300029742577	1	50	0.0	-73.16	401.56	3.06	-70.10
C[N@@H+]1CCC(=CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029742579	0	46	0.0	-74.31	364.26	2.76	-71.55
C[N@H+]1CCC(=CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029742579	1	46	0.0	-75.82	365.87	2.82	-73.00
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1C[NH+](C2CCCCC2)C1	REAL300029742605	0	55	0.0	-74.17	419.50	4.64	-69.53
C[NH+](C)CCOCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029742620	0	48	0.0	-71.76	383.16	2.35	-69.41
CCCCC[N@H+](C)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029742626	0	56	0.0	-74.26	430.38	4.89	-69.37
CCCCC[N@@H+](C)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029742626	1	56	0.0	-74.35	430.38	4.88	-69.47
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)O1	REAL300029742636	0	52	0.0	-68.86	407.13	3.25	-65.61
C=CCC(C)(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[NH+](C)C	REAL300029742645	0	51	0.0	-65.22	381.14	3.31	-61.91
C[S+](C)CCC(O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029742650	0	47	0.0	-72.43	393.51	1.11	-71.32
CN1CC(O)CC1(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029742680	0	49	0.0	-76.77	374.91	-0.40	-77.17
C[N@@H+]1CC(O)CC1(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029742680	1	49	0.0	-72.29	374.11	-0.42	-72.71
C[N@H+]1CC(O)CC1(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029742680	1	49	0.0	-72.29	374.11	-0.42	-72.71
CN1CC[N@H+](C)CC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029742694	0	53	0.0	-69.58	399.02	1.18	-68.40
CN1CC[N@@H+](C)CC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029742694	1	53	0.0	-69.58	399.02	1.18	-68.40
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)N1CCCC(O)C1	REAL300029742695	0	52	0.0	-69.40	398.65	0.21	-69.19
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[N@@H+]1CCCC(O)C1	REAL300029742695	1	52	0.0	-65.53	396.92	0.55	-64.98
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[N@H+]1CCCC(O)C1	REAL300029742695	1	52	0.0	-65.53	396.92	0.55	-64.98
O=C(CN1CCC(CO)CC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029742709	0	52	0.0	-72.57	399.20	0.54	-72.03
O=C(C[NH+]1CCC(CO)CC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029742709	1	52	0.0	-72.57	399.20	0.54	-72.03
C[N@@H+]1CCCC(O)(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029742719	0	52	0.0	-69.15	386.35	1.68	-67.47
C[N@H+]1CCCC(O)(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029742719	1	52	0.0	-69.15	386.35	1.68	-67.47
NC(=O)C1CCN(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029742727	0	52	0.0	-84.72	403.43	-0.09	-84.81
NC(=O)C1CC[NH+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029742727	1	52	0.0	-84.72	403.43	-0.09	-84.81
CN(CCO)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029742752	0	45	0.0	-73.45	355.14	-1.28	-74.73
C[N@H+](CCO)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029742752	1	45	0.0	-68.57	356.80	-1.13	-69.70
C[N@@H+](CCO)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029742752	1	45	0.0	-68.57	356.80	-1.13	-69.70
C[NH+]1C2CCC1CC(=CC(=O)NC1CCN(C(=O)C3=CC(=O)[N-]O3)CC1F)C2	REAL300029742774	0	53	0.0	-71.59	400.68	4.26	-67.33
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1C[N@@H+]2CCN1CCC2	REAL300029742779	0	51	0.0	-75.82	375.23	1.13	-74.69
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1C[N@H+]2CCN1CCC2	REAL300029742779	1	51	0.0	-75.82	375.23	1.13	-74.69
CC[N@@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029742786	0	51	0.0	-70.83	390.03	3.70	-67.13
CC[N@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029742786	1	51	0.0	-70.83	390.03	3.70	-67.13
CC(CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C[NH+](C)C	REAL300029742788	0	50	0.0	-74.36	384.22	3.28	-71.08
CC[N@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029742804	0	44	0.0	-67.91	346.40	2.11	-65.80
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C12CCC[N@@H+]1CCCC2	REAL300029742832	0	52	0.0	-63.80	383.83	3.79	-60.01
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C12CCC[N@H+]1CCCC2	REAL300029742832	1	52	0.0	-63.80	383.83	3.79	-60.01
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C12CCC[N@@H+]1CC=CC2	REAL300029742841	0	50	0.0	-67.27	374.43	4.31	-62.96
CC[N@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CC1	REAL300029742865	0	48	0.0	-68.49	376.06	3.33	-65.16
CC[N@@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CC1	REAL300029742865	1	48	0.0	-69.98	373.49	3.33	-66.65
CC[NH+](CC)CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029742889	0	50	0.0	-68.56	381.66	2.97	-65.59
C[NH+]1CCC(=CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029742906	0	49	0.0	-70.89	379.43	3.56	-67.33
O=C(CCCC[NH+]1CCCCC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029742925	0	57	0.0	-70.04	435.21	5.45	-64.59
CC1(O)CC[N@H+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029742956	1	49	0.0	-67.01	384.35	-0.24	-67.25
CC1(O)CC[N@@H+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029742956	1	49	0.0	-72.23	383.79	-0.26	-72.49
C[NH+](C)CC=CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029742966	0	45	0.0	-74.98	361.74	2.58	-72.40
CC(OCC[NH+](C)C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029742990	0	51	0.0	-68.03	404.31	3.18	-64.85
C[NH+](C)CCOCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029743001	0	51	0.0	-71.51	402.61	2.16	-69.35
COCC[N@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029743002	1	48	0.0	-68.41	379.05	1.27	-67.14
COCC[N@@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029743002	1	48	0.0	-72.92	378.16	1.26	-71.66
C[NH+](C)C1(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CCCC1	REAL300029743054	0	51	0.0	-71.36	380.10	3.34	-68.02
CC(CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[NH+](C)C	REAL300029743057	0	50	0.0	-73.44	378.32	2.99	-70.45
CC[N@@H+]1CCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029743067	1	45	0.0	-67.00	353.38	2.07	-64.93
CC[N@H+]1CCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029743067	1	45	0.0	-69.92	357.19	2.27	-67.65
CC(C)[N@@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029743078	0	54	0.0	-69.78	405.93	4.07	-65.71
CC(C)[N@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029743078	1	54	0.0	-66.68	407.57	4.25	-62.43
O=C(C[N@H+]1CCCC1CO)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029743092	1	49	0.0	-71.00	381.83	-0.17	-71.17
O=C(C[N@@H+]1CCCC1CO)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029743092	1	49	0.0	-71.17	377.24	-0.60	-71.77
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CC2CCCC[N@@H+]2C1	REAL300029743118	0	52	0.0	-73.97	394.93	4.16	-69.81
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CC2CCCC[N@H+]2C1	REAL300029743118	1	52	0.0	-66.31	395.96	4.17	-62.14
C[NH+]1CCC(C)(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029743125	0	51	0.0	-69.12	384.83	3.40	-65.72
C[NH+](C)CC1=CNC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)=C1	REAL300029743131	0	49	0.0	-73.27	395.05	2.78	-70.49
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[NH+]1CCC(O)CC1	REAL300029743149	1	52	0.0	-68.04	393.89	0.10	-67.94
C=CCC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[NH+](C)C	REAL300029743162	0	48	0.0	-67.81	373.88	2.97	-64.84
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029743180	0	51	0.0	-65.83	394.59	3.57	-62.26
C[N@H+]1CC(C)(C)CC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029743180	1	51	0.0	-67.00	383.40	2.86	-64.14
C[NH+](C)CCCCCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029743184	0	53	0.0	-73.59	412.65	4.30	-69.29
O=C(C[NH+]1CC2CC2C1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029743194	0	46	0.0	-69.15	364.13	3.36	-65.79
CC1C[N@@H+]2CCN1C(C(=O)NC1CCN(C(=O)C3=CC(=O)[N-]O3)CC1F)C2	REAL300029743228	0	51	0.0	-74.77	381.66	0.47	-74.30
CC1C[N@H+]2CCN1C(C(=O)NC1CCN(C(=O)C3=CC(=O)[N-]O3)CC1F)C2	REAL300029743228	1	51	0.0	-76.83	378.36	0.32	-76.51
CCCC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[NH+](C)C	REAL300029743229	0	50	0.0	-67.83	381.13	3.20	-64.63
C[NH+](C)C(C)(C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029743234	0	47	0.0	-75.89	353.25	2.53	-73.36
C[N@@H+]1CCCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029743281	1	48	0.0	-69.75	357.94	2.80	-66.95
C[N@H+]1CCCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029743281	1	48	0.0	-64.42	370.93	3.00	-61.42
C[N@H+]1CC=C(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029743329	0	49	0.0	-68.90	387.79	3.78	-65.12
C[N@@H+]1CC=C(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029743329	1	49	0.0	-70.34	386.55	3.71	-66.63
O=C(CC1([NH+]2CCCC2)CC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029743338	0	52	0.0	-69.13	392.27	4.02	-65.11
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029743390	0	57	0.0	-71.70	411.03	4.13	-67.57
C[N@H+]1CCCC(C(C)(C)C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029743390	1	57	0.0	-71.70	411.03	4.13	-67.57
CN(C)CC1=CC=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)O1	REAL300029743395	0	48	0.0	-75.92	390.33	3.17	-72.75
C[NH+](C)CC1=CC=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)O1	REAL300029743395	1	48	0.0	-75.92	390.33	3.17	-72.75
O=C(C=CC[NH+]1CCCC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029743416	0	49	0.0	-75.22	389.36	3.71	-71.51
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CC[NH+](C2CC2)CC1	REAL300029743441	0	52	0.0	-69.96	398.11	4.32	-65.64
O=C(CC[NH+]1CCCC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029743465	0	48	0.0	-72.21	375.79	3.03	-69.18
CN1CC2CC1(C(=O)NC1CCN(C(=O)C3=CC(=O)[N-]O3)CC1F)C2	REAL300029743519	0	46	0.0	-70.44	360.20	2.56	-67.88
C[N@@H+]1CC2CC1(C(=O)NC1CCN(C(=O)C3=CC(=O)[N-]O3)CC1F)C2	REAL300029743519	1	46	0.0	-74.45	360.08	2.36	-72.09
C[N@H+]1CC2CC1(C(=O)NC1CCN(C(=O)C3=CC(=O)[N-]O3)CC1F)C2	REAL300029743519	1	46	0.0	-74.45	360.08	2.36	-72.09
O=C(C[N@@H+]1CC2CCC1C2)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029743533	0	49	0.0	-70.46	374.27	3.50	-66.96
CC(C)[NH+]1CCC(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029743544	0	57	0.0	-67.23	423.28	4.92	-62.31
O=C(C=C1C[NH+]2CCC1CC2)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029743592	0	50	0.0	-66.85	385.11	3.86	-62.99
CC(C[NH+](C)C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029743665	0	47	0.0	-72.14	364.21	2.65	-69.49
C[N@@H+]1CCCCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029743757	0	51	0.0	-73.54	387.09	3.58	-69.96
C[N@H+]1CCCCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029743757	1	51	0.0	-73.54	387.09	3.58	-69.96
CC1=C2C=C(C(=O)NC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3F)C=CN2C=N1	REAL300029743778	0	46	0.0	-74.46	379.41	5.36	-69.10
CC1=C2C=C(C(=O)NC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3F)C=CN2C=[NH+]1	REAL300029743778	1	46	0.0	-74.46	379.41	5.36	-69.10
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)N1CC(C)C1	REAL300029743779	0	48	0.0	-70.43	374.94	3.13	-67.30
CC(C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[NH+]1CC(C)C1	REAL300029743779	1	48	0.0	-70.43	374.94	3.13	-67.30
CC1CCN1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029743783	0	45	0.0	-66.92	354.46	2.28	-64.64
CC1CC[N@@H+]1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029743783	1	45	0.0	-70.80	358.69	2.48	-68.32
CC1CC[N@H+]1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029743783	1	45	0.0	-70.80	358.69	2.48	-68.32
C[NH+](C)CC(O)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029743788	0	48	0.0	-75.74	380.07	0.32	-75.42
CC1CN(C)CC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)O1	REAL300029743821	0	49	0.0	-79.16	379.61	2.59	-76.57
CC1C[N@H+](C)CC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)O1	REAL300029743821	1	49	0.0	-74.57	377.27	2.32	-72.25
CC1C[N@@H+](C)CC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)O1	REAL300029743821	1	49	0.0	-74.57	377.27	2.32	-72.25
O=C(CC[NH+]1CCC(O)CC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029743832	0	52	0.0	-73.57	403.31	0.50	-73.07
CCC[N@@H+]1CCCCC1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029743835	0	54	0.0	-69.33	408.15	4.29	-65.04
CC[NH+]1CCN(CCC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029743840	0	56	0.0	-74.21	426.00	2.06	-72.15
CCN1CC[NH+](CCC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029743840	1	56	0.0	-74.21	426.00	2.06	-72.15
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300029743843	0	55	0.0	-63.73	403.33	4.92	-58.81
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300029743843	1	55	0.0	-63.73	403.33	4.92	-58.81
CC(C)C[NH+]1CCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029743886	0	57	0.0	-71.36	429.85	5.16	-66.20
C[NH+](C)C1CCN(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029743911	0	56	0.0	-72.14	421.12	2.12	-70.02
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029743931	0	48	0.0	-74.44	376.96	3.12	-71.32
CC(CC[NH+](C)C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029743939	0	50	0.0	-72.34	385.82	3.28	-69.06
C[N@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[C@@H]1CCC[C@H]1O	REAL300029743968	0	52	0.0	-69.09	397.14	0.59	-68.50
C[N@@H+](CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)[C@@H]1CCC[C@H]1O	REAL300029743968	1	52	0.0	-70.15	398.60	0.82	-69.33
C[NH+]1CCN(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029743982	1	50	0.0	-73.37	386.11	0.80	-72.57
CC[NH+]1CCN(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029743992	0	53	0.0	-72.08	403.85	1.48	-70.60
NC(=[NH2+])SCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029744023	0	39	0.0	-72.48	335.38	-1.76	-74.24
CC[N@@H+]1CCOCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029744069	0	52	0.0	-74.74	396.10	1.88	-72.86
C[NH+](C)CCC1(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CCCC1	REAL300029744088	0	57	0.0	-68.84	423.83	5.15	-63.69
CC1CCCC(C)[NH+]1CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029744090	0	57	0.0	-66.06	422.08	4.53	-61.53
C[NH+](C)C1CCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029744093	0	54	0.0	-72.55	407.51	4.26	-68.29
C[NH+](C)CCC1(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029744094	0	51	0.0	-67.13	400.76	3.68	-63.45
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC1	REAL300029744096	0	54	0.0	-67.79	398.08	4.05	-63.74
C[N@@H+]1CC=CCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029744097	0	49	0.0	-62.42	371.99	3.35	-59.07
C[N@H+]1CC=CCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029744097	1	49	0.0	-62.42	371.99	3.35	-59.07
C[C@@H](OCC[NH+](C)C)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029744124	0	51	0.0	-67.71	404.07	3.21	-64.50
C[NH+]1C2CCC1CC(C(=O)NC1CCN(C(=O)C3=CC(=O)[N-]O3)CC1F)C2	REAL300029744158	0	52	0.0	-72.38	369.38	3.71	-68.67
CCC1C[NH+](CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029744298	1	48	0.0	-70.04	378.46	3.21	-66.83
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1C[NH+](C2CCOCC2)C1	REAL300029744300	0	53	0.0	-76.68	410.68	2.24	-74.44
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1([NH+]2CCCC2)CCC1	REAL300029744302	0	52	0.0	-68.23	389.78	4.00	-64.23
C[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029744312	1	45	0.0	-70.01	347.46	1.84	-68.17
O=C(CC[N@@H+]1CCC(F)C1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029744321	1	48	0.0	-77.06	381.83	3.17	-73.89
COC1CN(C)C(C)(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029744329	0	52	0.0	-71.47	397.01	2.00	-69.47
COC1C[N@H+](C)C(C)(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029744329	1	52	0.0	-78.26	394.74	2.04	-76.22
COC1C[N@@H+](C)C(C)(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029744329	1	52	0.0	-71.47	397.01	2.00	-69.47
O=C(CC[NH+]1CCCCCC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029744342	0	54	0.0	-73.60	399.81	4.00	-69.60
O=C(C[NH+]1CCCCC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029744344	1	48	0.0	-71.37	369.18	3.17	-68.20
CC1C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC[N@@H+]1C	REAL300029744354	0	48	0.0	-69.62	370.03	3.03	-66.59
CC1C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)CC[N@H+]1C	REAL300029744354	1	48	0.0	-74.49	364.75	2.42	-72.07
C[N@@H+]1CCCCC1CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029744356	0	54	0.0	-70.87	409.12	4.32	-66.55
C[N@H+]1CCCCC1CCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029744356	1	54	0.0	-70.54	409.22	4.34	-66.20
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CC[N@@H+]2CCOCC12	REAL300029744390	0	50	0.0	-66.01	378.22	1.51	-64.50
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CC[N@H+]2CCOCC12	REAL300029744390	1	50	0.0	-72.10	381.86	1.95	-70.15
CC1=[NH+]C=C2C=CC(C(=O)NC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3F)=CN21	REAL300029744395	0	46	0.0	-68.45	379.03	4.59	-63.86
CN1CCOCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029744414	0	49	0.0	-67.47	370.26	0.97	-66.50
C[N@@H+]1CCOCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029744414	1	49	0.0	-71.42	370.26	0.98	-70.44
C[N@H+]1CCOCC1CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029744414	1	49	0.0	-67.47	370.26	0.97	-66.50
CC1=C(C)[NH+]=C(CCC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)N1	REAL300029744423	1	49	0.0	-66.92	397.69	2.58	-64.34
CC(C)C[N@@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029744437	0	57	0.0	-70.53	427.02	5.10	-65.43
CC(C)C[N@H+]1CCCC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C1	REAL300029744437	1	57	0.0	-71.08	428.58	5.11	-65.97
C[N@H+]1CCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029744605	1	45	0.0	-65.87	349.40	2.30	-63.57
CN1CCOC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029744631	0	46	0.0	-74.68	357.47	1.65	-73.03
C[N@@H+]1CCOC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029744631	1	46	0.0	-85.52	363.09	1.79	-83.73
C[N@H+]1CCOC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029744631	1	46	0.0	-74.68	357.47	1.65	-73.03
CC1=[NH+]C=CN1CCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029744795	1	49	0.0	-67.85	401.20	4.49	-63.36
O=C(CCCC[NH+]1CCOCC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029744799	1	55	0.0	-74.07	428.52	3.16	-70.91
C[NH+](C)CC1=CC=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C=C1	REAL300029744805	0	51	0.0	-76.87	410.13	4.79	-72.08
O=C(CC[NH+]1CCOCC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029744806	1	49	0.0	-76.96	386.80	1.63	-75.33
CCC[NH+](CCC)CCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029744828	0	59	0.0	-70.80	448.31	5.49	-65.31
O=C(NC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1F)C1=CC(=O)[N-]O1	REAL300029744843	0	49	0.0	-64.51	367.92	2.89	-61.62
O=C(NC1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC1F)C1=CC(=O)[N-]O1	REAL300029744859	1	43	0.0	-73.83	366.40	4.97	-68.86
C[NH+](C)C1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029744928	0	54	0.0	-68.73	407.75	4.20	-64.53
C[N@@H+]1CCC(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029744931	0	48	0.0	-73.60	378.32	3.18	-70.42
C[N@H+]1CCC(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029744931	1	48	0.0	-71.67	376.46	3.20	-68.47
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029744943	0	47	0.0	-74.72	381.37	1.20	-73.52
CCC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+](C)C	REAL300029744948	0	47	0.0	-67.73	358.30	2.44	-65.29
CC1CC2CCC(C(=O)N3CCC(NC(=O)C4=CC(=O)[N-]O4)C(F)C3)C[N@@H+]2C1	REAL300029745001	0	55	0.0	-71.13	415.71	4.75	-66.38
CC1CC2CCC(C(=O)N3CCC(NC(=O)C4=CC(=O)[N-]O4)C(F)C3)C[N@H+]2C1	REAL300029745001	1	55	0.0	-68.03	408.67	4.74	-63.29
C[NH+](C)CCCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029745028	0	50	0.0	-72.12	395.62	3.72	-68.40
CC(C)C(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+](C)C	REAL300029745051	0	50	0.0	-69.14	369.94	2.94	-66.20
CCC[N@H+](C)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029745053	0	50	0.0	-74.78	393.12	3.57	-71.21
CCC[N@@H+](C)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029745053	1	50	0.0	-71.69	391.85	3.54	-68.15
CCC[N@H+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029745059	0	47	0.0	-72.88	370.76	2.99	-69.89
CCC[N@@H+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029745059	1	47	0.0	-72.94	370.76	2.99	-69.95
O=C(NC1CCN(C(=O)C23CC[N@H+](C2)CCC3)CC1F)C1=CC(=O)[N-]O1	REAL300029745086	0	49	0.0	-72.35	362.64	2.36	-69.99
O=C(NC1CCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1F)C1=CC(=O)[N-]O1	REAL300029745086	1	49	0.0	-83.62	361.46	2.35	-81.27
CCCCCC[N@H+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029745129	0	56	0.0	-74.18	435.25	5.33	-68.85
CCCCCC[N@@H+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029745129	1	56	0.0	-74.27	435.25	5.33	-68.94
CC[NH+](CC)C(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)C(C)C	REAL300029745136	0	56	0.0	-61.39	405.46	4.25	-57.14
CC1CC[NH+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029745174	0	51	0.0	-69.36	392.84	4.01	-65.35
C[NH+]1CCC(OCC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029745208	0	52	0.0	-76.72	411.47	3.74	-72.98
O=C(NC1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC1F)C1=CC(=O)[N-]O1	REAL300029745271	0	52	0.0	-70.28	395.03	4.12	-66.16
O=C(NC1CCN(C(=O)C2CC3CCCC[N@H+]3C2)CC1F)C1=CC(=O)[N-]O1	REAL300029745271	1	52	0.0	-67.21	393.33	4.06	-63.15
C[NH+](C)CC1(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029745283	0	48	0.0	-71.18	379.14	3.12	-68.06
CC1=[NH+]C=C2CCC(C(=O)N3CCC(NC(=O)C4=CC(=O)[N-]O4)C(F)C3)CN21	REAL300029745284	1	50	0.0	-68.21	398.71	4.17	-64.04
CC(C)[NH+]1CCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029745296	0	54	0.0	-72.64	409.96	4.33	-68.31
CC[N@H+](C)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029745325	0	47	0.0	-73.97	371.62	2.83	-71.14
CC[N@@H+](C)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029745325	1	47	0.0	-73.97	371.62	2.84	-71.13
CC(C)(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+]1CCCCC1	REAL300029745356	0	54	0.0	-62.42	392.24	3.81	-58.61
O=C(NC1CCN(C(=O)C2C[NH+]3CCC2CC3)CC1F)C1=CC(=O)[N-]O1	REAL300029745372	0	49	0.0	-75.65	366.01	3.00	-72.65
C[NH+]1CCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029745457	0	48	0.0	-72.13	374.36	3.11	-69.02
CC(C)[C@H](C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+](C)C	REAL300029745478	0	50	0.0	-64.65	373.39	3.12	-61.53
O=C(NC1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1F)C1=CC(=O)[N-]O1	REAL300029745555	0	55	0.0	-72.17	423.42	5.31	-66.86
CC[NH+](CC)CC(F)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029745596	0	50	0.0	-71.56	389.46	3.31	-68.25
C[NH+](C)CC1=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)SC=C1	REAL300029745597	0	48	0.0	-63.81	397.22	3.79	-60.02
CC(C)C[N@@H+]1CCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029745636	0	54	0.0	-71.76	412.01	4.42	-67.34
CC(C)C[N@H+]1CCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029745636	1	54	0.0	-70.33	410.90	4.33	-66.00
C[NH+](C)C1(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CCC1	REAL300029745640	0	48	0.0	-69.95	354.90	2.44	-67.51
CCC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+](CC)CC	REAL300029745674	0	53	0.0	-63.40	391.66	3.71	-59.69
CC1CCC[N@@H+]1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029745697	0	48	0.0	-65.97	376.29	3.20	-62.77
CC1CCC[N@H+]1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029745697	1	48	0.0	-69.39	373.93	3.27	-66.12
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029745777	1	52	0.0	-66.20	416.94	4.77	-61.43
CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+]1CCCCCC1	REAL300029745784	0	54	0.0	-68.11	398.66	3.91	-64.20
CC(C)[N@@H+]1CCCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029745786	0	54	0.0	-62.95	401.85	4.00	-58.95
CC(C)[N@H+]1CCCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029745786	1	54	0.0	-65.93	392.27	3.66	-62.27
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029745812	0	51	0.0	-67.79	381.71	3.35	-64.44
CC(C)[N@H+]1CCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029745812	1	51	0.0	-66.43	381.48	3.92	-62.51
C[NH+](C)C(CN1C=CC=N1)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029745817	1	51	0.0	-65.16	400.33	2.68	-62.48
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029745822	0	54	0.0	-69.90	406.18	4.14	-65.76
CC(C)[N@H+]1CCCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029745822	1	54	0.0	-61.70	400.63	3.71	-57.99
O=C(NC1CCN(C(=O)C2CCC[N@@H+]2C2CCCC2)CC1F)C1=CC(=O)[N-]O1	REAL300029745823	0	55	0.0	-64.49	405.90	4.77	-59.72
O=C(NC1CCN(C(=O)C2CCC[N@H+]2C2CCCC2)CC1F)C1=CC(=O)[N-]O1	REAL300029745823	1	55	0.0	-68.40	415.55	4.94	-63.46
CC(C)[C@@H](C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+](C)C	REAL300029745842	0	50	0.0	-64.12	372.00	2.98	-61.14
CC1CC[N@H+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029745866	0	48	0.0	-71.93	376.89	3.25	-68.68
CC1CC[N@@H+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029745866	1	48	0.0	-67.52	376.67	3.27	-64.25
CC1=[NH+]C=C2CC(C(=O)N3CCC(NC(=O)C4=CC(=O)[N-]O4)C(F)C3)CCN21	REAL300029745868	1	50	0.0	-69.87	400.53	4.27	-65.60
CC1(C)CC[N@H+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029745871	0	51	0.0	-72.19	396.77	3.81	-68.38
CC1(C)CC[N@@H+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029745871	1	51	0.0	-68.27	395.34	3.81	-64.46
C[N@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)CC(C)(C)C	REAL300029745872	0	53	0.0	-69.09	398.10	3.94	-65.15
C[N@@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)CC(C)(C)C	REAL300029745872	1	53	0.0	-69.02	400.04	4.09	-64.93
CC[C@@H](C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+](C)C	REAL300029745883	0	47	0.0	-70.13	359.10	2.55	-67.58
CC(COCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+]1CCCC1	REAL300029745891	0	55	0.0	-69.88	430.16	4.40	-65.48
CN(CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)C1=CC=[NH+]C=C1	REAL300029746035	0	50	0.0	-68.09	404.73	3.23	-64.86
CC1=[NH+]C=CN1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029746143	1	43	0.0	-66.51	358.62	3.11	-63.40
CC(C[NH+]1CCOCC1)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029746145	0	52	0.0	-74.55	400.87	2.12	-72.43
O=C(CCC[NH+]1CCCCC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029746165	0	54	0.0	-70.51	415.76	4.81	-65.70
C[NH+](C)CC1=CC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)=NO1	REAL300029746185	1	47	0.0	-77.79	385.49	2.82	-74.97
CC1=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C=CC2=C[NH+]=CN21	REAL300029746186	0	46	0.0	-70.76	378.73	5.16	-65.60
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029746225	1	49	0.0	-67.34	397.19	4.31	-63.03
O=C(NC1CCN(C(=O)C2CCCC3CCC[N@@H+]32)CC1F)C1=CC(=O)[N-]O1	REAL300029746273	0	52	0.0	-60.43	395.20	4.23	-56.20
O=C(NC1CCN(C(=O)C2CCCC3CCC[N@H+]32)CC1F)C1=CC(=O)[N-]O1	REAL300029746273	1	52	0.0	-66.46	396.16	4.30	-62.16
CC[N@@H+]1CCOC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029746306	1	49	0.0	-70.95	372.53	2.22	-68.73
CC[N@H+]1CCOC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029746306	1	49	0.0	-74.75	375.65	2.33	-72.42
O=C(NC1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC1F)C1=CC(=O)[N-]O1	REAL300029746371	0	43	0.0	-69.35	362.05	4.82	-64.53
CC1=C[NH+]=CN1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029746376	1	43	0.0	-71.47	360.21	3.87	-67.60
C[NH+](C)CCN1C=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C=N1	REAL300029746379	0	51	0.0	-80.86	412.74	2.76	-78.10
C[NH+](C)CCN1C=CC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)=N1	REAL300029746389	0	51	0.0	-80.44	412.05	3.38	-77.06
C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC[N@@H+]1C	REAL300029746395	0	48	0.0	-71.42	366.32	2.80	-68.62
C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC[N@H+]1C	REAL300029746395	1	48	0.0	-68.29	372.65	2.79	-65.50
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029746398	1	52	0.0	-66.58	417.44	4.84	-61.74
CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC[N@@H+]1C	REAL300029746401	0	51	0.0	-72.73	389.39	3.23	-69.50
CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC[N@H+]1C	REAL300029746401	1	51	0.0	-71.33	388.51	3.48	-67.85
CC1CCC(C)[NH+]1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029746419	0	51	0.0	-65.50	387.38	3.54	-61.96
O=C(CCC[NH+]1CCCC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029746425	0	51	0.0	-72.52	400.59	4.08	-68.44
C[NH+](C)CC1=CC=CC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)=C1	REAL300029746426	0	51	0.0	-71.64	408.63	4.73	-66.91
C#CC[NH+]1CCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029746434	0	50	0.0	-76.40	400.31	4.30	-72.10
O=C(CC[NH+]1CCCCC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029746435	0	51	0.0	-80.08	392.63	3.97	-76.11
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029746440	0	51	0.0	-60.35	404.71	4.73	-55.62
CC[N@@H+]1CCCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029746447	0	51	0.0	-65.38	387.49	3.69	-61.69
CC[N@H+]1CCCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029746447	1	51	0.0	-67.14	389.82	3.79	-63.35
CC(C)C(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+]1CCCCC1	REAL300029746448	0	57	0.0	-63.13	414.64	4.96	-58.17
C[NH+](C)C(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)C1=CC=CC=C1	REAL300029746451	1	51	0.0	-64.46	398.42	4.73	-59.73
O=C(CN1C=[NH+]C2=C1CCCC2)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029746456	1	50	0.0	-70.76	403.16	5.64	-65.12
C[NH+](C)CC1(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CCCCC1	REAL300029746498	0	57	0.0	-63.98	393.43	4.34	-59.64
C[N@H+](CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)C1CCCCC1	REAL300029746504	0	57	0.0	-71.87	428.67	5.17	-66.70
C[N@@H+](CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)C1CCCCC1	REAL300029746504	1	57	0.0	-71.51	428.66	5.18	-66.33
C[NH+](C)C1(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CCCC1	REAL300029746505	0	54	0.0	-70.89	394.46	4.05	-66.84
C[N@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)C1CCC1	REAL300029746712	0	48	0.0	-70.43	377.76	3.56	-66.87
C[N@@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)C1CCC1	REAL300029746712	1	48	0.0	-70.94	377.65	3.54	-67.40
CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+]1C(C)CCC1C	REAL300029746742	0	54	0.0	-61.37	397.43	3.65	-57.72
O=C(CCCC[NH+]1CCCC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029746758	0	54	0.0	-72.38	422.87	4.93	-67.45
C[N@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)CC1=CC=CC=C1	REAL300029746760	1	51	0.0	-77.37	408.18	5.17	-72.20
C[N@@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)CC1=CC=CC=C1	REAL300029746760	1	51	0.0	-77.30	408.20	5.16	-72.14
C[NH+]1CCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029746775	0	48	0.0	-72.13	374.36	3.11	-69.02
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029746833	0	45	0.0	-68.70	349.55	2.05	-66.65
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029746833	1	45	0.0	-68.78	351.35	2.34	-66.44
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029746857	1	47	0.0	-65.64	375.79	3.32	-62.32
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029746857	1	47	0.0	-69.50	382.78	3.77	-65.73
C[N@@H+]1CCCC1CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029746865	0	51	0.0	-72.76	397.67	4.09	-68.67
C[N@H+]1CCCC1CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029746865	1	51	0.0	-69.20	392.59	3.62	-65.58
O=C(NC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1F)C1=CC(=O)[N-]O1	REAL300029746877	0	52	0.0	-77.74	377.27	3.17	-74.57
O=C(NC1CCN(C(=O)C2CCC3CCCC[N@@H+]32)CC1F)C1=CC(=O)[N-]O1	REAL300029746884	0	52	0.0	-66.09	392.71	4.25	-61.84
O=C(NC1CCN(C(=O)C2CCC3CCCC[N@H+]32)CC1F)C1=CC(=O)[N-]O1	REAL300029746884	1	52	0.0	-67.93	391.22	4.04	-63.89
CCC[N@@H+]1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029746970	0	54	0.0	-69.34	411.76	4.40	-64.94
CCC[N@H+]1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029746970	1	54	0.0	-78.31	402.93	4.30	-74.01
CC(C)[N@@H+]1CCOC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029746991	1	52	0.0	-75.53	397.67	2.93	-72.60
CC(C)[N@H+]1CCOC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029746991	1	52	0.0	-64.80	390.96	2.79	-62.01
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029747009	0	55	0.0	-70.04	401.09	2.10	-67.94
C[N@@H+]1CCCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029747028	0	48	0.0	-69.36	363.28	2.79	-66.57
C[N@H+]1CCCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029747028	1	48	0.0	-68.61	363.06	2.78	-65.83
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029747056	0	54	0.0	-65.07	402.97	3.87	-61.20
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029747056	1	54	0.0	-64.40	413.22	4.52	-59.88
O=C(C[NH+]1CCC(CO)CC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029747074	1	52	0.0	-74.42	404.94	0.74	-73.68
C[NH+]1C2CCC1CC(=CC(=O)N1CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C1)C2	REAL300029747110	0	53	0.0	-69.69	403.05	4.50	-65.19
CC1C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC[N@@H+]1C	REAL300029747128	0	48	0.0	-69.85	373.44	2.82	-67.03
CC1C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC[N@H+]1C	REAL300029747128	1	48	0.0	-71.05	369.16	2.65	-68.40
C[N@@H+]1CCCCC1CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029747130	0	54	0.0	-71.28	410.01	4.48	-66.80
C[N@H+]1CCCCC1CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029747130	1	54	0.0	-73.14	404.24	4.31	-68.83
NC1=[NH+]C2=C(C=C1C(=O)N1CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C1)CCC2	REAL300029747166	1	48	0.0	-63.43	384.80	2.21	-61.22
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029747246	0	51	0.0	-66.02	391.02	3.19	-62.83
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029747246	1	51	0.0	-68.75	377.34	2.86	-65.89
C[C@@H](C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+](C)C	REAL300029747268	0	44	0.0	-66.12	347.13	1.93	-64.19
C[NH+](C)CC1=CC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)=CC=N1	REAL300029747287	1	50	0.0	-68.33	404.59	2.90	-65.43
C=CCC(C)(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+](C)C	REAL300029747292	0	51	0.0	-66.78	376.33	3.03	-63.75
NC1=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C=[NH+]C2=CC=CC=C21	REAL300029747320	1	47	0.0	-65.30	382.68	1.59	-63.71
O=C(CC[NH+]1CCCC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029747324	0	48	0.0	-73.49	379.86	3.35	-70.14
C[N@H+](CCO)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029747334	1	45	0.0	-73.45	359.61	-0.99	-74.44
C[N@@H+](CCO)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029747334	1	45	0.0	-72.81	359.40	-0.98	-73.79
O=C(NC1CCN(C(=O)C2C[N@@H+]3CCN2CCC3)CC1F)C1=CC(=O)[N-]O1	REAL300029747379	0	51	0.0	-76.26	377.42	0.78	-75.48
O=C(NC1CCN(C(=O)C2C[N@H+]3CCN2CCC3)CC1F)C1=CC(=O)[N-]O1	REAL300029747379	1	51	0.0	-73.48	373.12	0.91	-72.57
CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+]1CCSCC1	REAL300029747407	1	49	0.0	-74.60	380.82	3.23	-71.37
C[N@H+]1CC=C(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029747451	0	49	0.0	-76.12	387.76	3.86	-72.26
C[N@@H+]1CC=C(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029747451	1	49	0.0	-67.85	389.78	3.93	-63.92
C[S+](C)CCC(O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029747467	0	47	0.0	-73.58	391.34	1.00	-72.58
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029747489	0	49	0.0	-70.34	368.11	-1.51	-71.85
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029747489	1	49	0.0	-68.58	373.93	-0.92	-69.50
CN1CC[N@H+](C)CC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029747504	0	53	0.0	-69.53	401.03	1.49	-68.04
CN1CC[N@@H+](C)CC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029747504	1	53	0.0	-67.29	396.72	1.52	-65.77
CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[N@@H+]1CCCC(O)C1	REAL300029747505	0	52	0.0	-66.71	399.53	0.41	-66.30
CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[N@H+]1CCCC(O)C1	REAL300029747505	1	52	0.0	-67.00	398.44	0.39	-66.61
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029747538	0	48	0.0	-74.25	389.70	2.28	-71.97
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029747545	0	52	0.0	-70.88	398.97	2.04	-68.84
C[N@H+]1CCCC(O)(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029747545	1	52	0.0	-71.47	386.39	1.78	-69.69
CC1C[NH+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029747552	1	45	0.0	-72.26	359.93	2.58	-69.68
CC[N@@H+]1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029747559	0	51	0.0	-69.03	382.56	3.84	-65.19
CC[N@H+]1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029747559	1	51	0.0	-67.55	384.52	3.88	-63.67
NC1=[NH+]C=CC=C1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029747569	0	44	0.0	-65.33	364.49	1.38	-63.95
O=C(NC1CCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1F)C1=CC(=O)[N-]O1	REAL300029747584	0	49	0.0	-68.39	382.37	3.52	-64.87
O=C(NC1CCN(C(=O)C2CCC[N@H+]2C2CC2)CC1F)C1=CC(=O)[N-]O1	REAL300029747584	1	49	0.0	-63.47	381.91	3.72	-59.75
O=C(C=CC[NH+]1CCCC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029747635	0	49	0.0	-74.43	390.97	3.88	-70.55
O=C(NC1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1F)C1=CC(=O)[N-]O1	REAL300029747661	0	52	0.0	-72.50	400.49	4.35	-68.15
CC[N@H+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029747714	0	44	0.0	-72.56	349.26	2.25	-70.31
O=C(CN1CC2C=CC1C2)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029747779	0	47	0.0	-68.42	368.26	3.40	-65.02
O=C(C[N@@H+]1CC2C=CC1C2)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029747779	1	47	0.0	-68.80	367.82	3.38	-65.42
O=C(C[N@H+]1CC2C=CC1C2)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029747779	1	47	0.0	-68.80	367.82	3.38	-65.42
CC1=CC=C(NCCC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)N=C1	REAL300029747803	0	50	0.0	-67.84	410.39	3.02	-64.82
CC1=CC=C(NCCC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)[NH+]=C1	REAL300029747803	1	50	0.0	-67.84	410.39	3.02	-64.82
O=C(NC1CCN(C(=O)C2C[NH+]3CCN2CC3)CC1F)C1=CC(=O)[N-]O1	REAL300029747879	0	48	0.0	-69.38	360.36	-0.44	-69.82
O=C(NC1CCN(C(=O)C23CCC[N@@H+]2CCCC3)CC1F)C1=CC(=O)[N-]O1	REAL300029747931	0	52	0.0	-62.42	375.90	3.08	-59.34
O=C(NC1CCN(C(=O)C23CCC[N@H+]2CCCC3)CC1F)C1=CC(=O)[N-]O1	REAL300029747931	1	52	0.0	-65.27	376.35	3.10	-62.17
O=C(NC1CCN(C(=O)C23CCC[N@@H+]2CC=CC3)CC1F)C1=CC(=O)[N-]O1	REAL300029747942	0	50	0.0	-65.79	373.18	3.23	-62.56
O=C(NC1CCN(C(=O)C23CCC[N@H+]2CC=CC3)CC1F)C1=CC(=O)[N-]O1	REAL300029747942	1	50	0.0	-66.33	373.19	3.21	-63.12
CC(OCC[NH+](C)C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029747953	0	51	0.0	-68.98	402.42	3.12	-65.86
C[NH+](C)CCOCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029747965	0	51	0.0	-70.30	407.08	2.37	-67.93
COCC[N@H+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029747967	1	48	0.0	-72.70	381.66	1.42	-71.28
COCC[N@@H+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029747967	1	48	0.0	-73.64	381.87	1.41	-72.23
O=C(NC1CCN(C(=O)C2C[NH+](C3CCOC3)C2)CC1F)C1=CC(=O)[N-]O1	REAL300029747969	0	50	0.0	-77.03	395.89	1.77	-75.26
CC(CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+](C)C	REAL300029747974	0	50	0.0	-73.75	383.90	3.31	-70.44
C[NH+]1CCC(=CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029747999	0	49	0.0	-73.20	381.06	3.77	-69.43
CC[N@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)C1CC1	REAL300029748010	0	48	0.0	-65.43	378.85	3.56	-61.87
CC[N@@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)C1CC1	REAL300029748010	1	48	0.0	-66.12	376.63	3.56	-62.56
CC1C[N@@H+]2CCN1C(C(=O)N1CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C1)C2	REAL300029748028	0	51	0.0	-76.63	379.86	0.23	-76.40
CC1C[N@H+]2CCN1C(C(=O)N1CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C1)C2	REAL300029748028	1	51	0.0	-81.72	379.75	0.23	-81.49
C[N@@H+]1CC2CC1(C(=O)N1CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C1)C2	REAL300029748059	0	46	0.0	-69.42	355.62	2.51	-66.91
C[N@H+]1CC2CC1(C(=O)N1CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C1)C2	REAL300029748059	1	46	0.0	-63.60	355.96	2.57	-61.03
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029748069	1	48	0.0	-70.06	395.41	2.27	-67.79
O=C(C[N@@H+]1CC2CCC1C2)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029748077	0	49	0.0	-70.95	375.71	3.49	-67.46
O=C(C[N@H+]1CC2CCC1C2)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029748077	1	49	0.0	-69.73	375.89	3.50	-66.23
CC(C)[NH+]1CCC(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029748092	0	57	0.0	-69.48	425.35	4.95	-64.53
CC(C[NH+](C)C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029748106	0	47	0.0	-80.36	367.82	2.66	-77.70
C[NH+](C)C1(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029748124	0	45	0.0	-72.20	353.62	2.06	-70.14
C[C@H](C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+](C)C	REAL300029748151	0	44	0.0	-65.46	345.95	1.87	-63.59
CC[N@@H+]1CCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029748162	1	45	0.0	-70.53	354.25	2.24	-68.29
CC[N@H+]1CCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029748162	1	45	0.0	-69.79	350.39	2.03	-67.76
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029748176	0	54	0.0	-65.82	400.64	4.41	-61.41
CC(C)[N@H+]1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029748176	1	54	0.0	-65.08	400.76	4.39	-60.69
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029748197	0	53	0.0	-76.12	392.88	2.12	-74.00
C#CC[N@H+]1CCCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029748249	1	50	0.0	-68.04	396.53	4.30	-63.74
C#CC[N@@H+]1CCCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029748249	1	50	0.0	-69.61	386.61	3.92	-65.69
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029748253	1	47	0.0	-62.05	382.67	2.16	-59.89
NC1=CC=[NH+]C=C1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029748254	0	41	0.0	-70.67	339.53	-0.60	-71.27
CCCC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+](C)C	REAL300029748266	0	50	0.0	-67.98	379.83	3.22	-64.76
C[NH+](C)C(C)(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029748274	0	47	0.0	-70.36	351.17	2.22	-68.14
CC(CC[NH+](C)C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029748300	0	50	0.0	-79.92	389.46	3.31	-76.61
O=C(NC1CCN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1F)C1=CC(=O)[N-]O1	REAL300029748355	0	55	0.0	-74.43	402.02	4.13	-70.30
O=C(NC1CCN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1F)C1=CC(=O)[N-]O1	REAL300029748355	1	55	0.0	-70.48	401.63	4.79	-65.69
O=C(NC1CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC1F)C1=CC(=O)[N-]O1	REAL300029748391	0	50	0.0	-64.28	387.90	3.88	-60.40
O=C(NC1CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CC1F)C1=CC(=O)[N-]O1	REAL300029748391	1	50	0.0	-67.15	382.46	4.36	-62.79
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029748445	0	51	0.0	-72.41	389.31	3.24	-69.17
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029748445	1	51	0.0	-68.86	389.73	3.46	-65.40
C[NH+](C)CCCCCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029748450	0	53	0.0	-71.49	417.11	4.50	-66.99
O=C(CC[NH+]1CCC(O)CC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029748455	0	52	0.0	-77.18	406.60	0.70	-76.48
CCC[N@@H+]1CCCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029748461	0	54	0.0	-63.24	409.42	4.47	-58.77
CCC[N@H+]1CCCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029748461	1	54	0.0	-68.72	400.18	4.08	-64.64
CC[NH+]1CCN(CCC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029748470	0	56	0.0	-71.85	429.63	2.25	-69.60
CCN1CC[NH+](CCC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029748470	1	56	0.0	-71.92	428.86	2.24	-69.68
C[NH+]1CCN(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029748473	1	50	0.0	-70.34	389.66	1.06	-69.28
CC(C)C[NH+]1CCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029748602	0	57	0.0	-74.64	432.10	5.25	-69.39
CC1C[N@H+](C)CC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)O1	REAL300029748605	1	49	0.0	-76.36	377.03	2.12	-74.24
CC1C[N@@H+](C)CC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)O1	REAL300029748605	1	49	0.0	-90.47	376.13	2.09	-88.38
CCC1CCC[N@H+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029748639	0	54	0.0	-72.96	412.52	4.69	-68.27
CCC1CCC[N@@H+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029748639	1	54	0.0	-72.29	409.63	4.62	-67.67
C[NH+](C)CC1=CC=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)N1	REAL300029748649	0	49	0.0	-75.46	392.35	2.88	-72.58
O=C(C[NH+]1CC2CC2C1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029748671	0	46	0.0	-72.72	367.00	3.46	-69.26
O=C(CC1([NH+]2CCCC2)CC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029748689	0	52	0.0	-70.33	396.64	4.37	-65.96
CC([NH2+]C1(CO)CCCC1)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029748706	0	55	0.0	-71.36	412.16	-0.52	-71.88
C[N@@H+]1CCCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029748739	0	48	0.0	-69.36	363.28	2.79	-66.57
C[N@H+]1CCCCC1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029748739	1	48	0.0	-68.61	363.06	2.78	-65.83
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029748751	0	57	0.0	-69.74	418.59	4.99	-64.75
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029748751	1	57	0.0	-68.66	428.89	5.11	-63.55
C[NH+](C)C1CCN(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029748816	0	56	0.0	-72.18	421.98	2.19	-69.99
C[N@@H+]1CCC(=CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029748888	0	46	0.0	-77.75	367.58	3.15	-74.60
C[N@H+]1CCC(=CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029748888	1	46	0.0	-77.67	367.39	3.17	-74.50
O=C(CNC1=CC=[NH+]C=C1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029748894	0	44	0.0	-73.87	366.40	0.83	-73.04
CC[NH+]1CCN(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029748964	0	53	0.0	-71.22	404.90	1.63	-69.59
O=C(C=C1C[NH+]2CCC1CC2)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029748967	0	50	0.0	-68.67	386.83	4.00	-64.67
C[NH+](C)C1(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CCCC1	REAL300029749016	0	51	0.0	-63.51	368.86	2.62	-60.89
C[N@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[C@@H]1CCC[C@H]1O	REAL300029749031	0	52	0.0	-64.79	400.77	0.86	-63.93
C[N@@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[C@@H]1CCC[C@H]1O	REAL300029749031	1	52	0.0	-71.26	399.62	0.70	-70.56
CCC1C[NH+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029749037	1	48	0.0	-69.40	383.30	3.41	-65.99
O=C(NC1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1F)C1=CC(=O)[N-]O1	REAL300029749041	0	53	0.0	-73.61	412.86	2.51	-71.10
O=C(NC1CCN(C(=O)C2([NH+]3CCCC3)CCC2)CC1F)C1=CC(=O)[N-]O1	REAL300029749043	0	52	0.0	-73.05	387.48	3.73	-69.32
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029749058	0	45	0.0	-74.81	353.61	2.37	-72.44
C[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029749058	1	45	0.0	-68.60	348.73	2.06	-66.54
CC[N@@H+]1CCOCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029749098	0	52	0.0	-72.12	393.58	1.94	-70.18
O=C(NC1CCN(C(=O)C2C[NH+](C3CCCCC3)C2)CC1F)C1=CC(=O)[N-]O1	REAL300029749126	0	55	0.0	-71.40	421.66	4.87	-66.53
COC1C[N@@H+]2CCCC2(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029749142	0	53	0.0	-64.41	401.24	1.87	-62.54
COC1C[N@H+]2CCCC2(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029749142	1	53	0.0	-64.41	401.24	1.87	-62.54
NC1=NC2=CC(C(=O)N3CCC(NC(=O)C4=CC(=O)[N-]O4)C(F)C3)=CC=C2N1	REAL300029749210	0	45	0.0	-69.73	375.94	2.54	-67.19
NC1=[NH+]C2=CC(C(=O)N3CCC(NC(=O)C4=CC(=O)[N-]O4)C(F)C3)=CC=C2N1	REAL300029749210	1	45	0.0	-69.73	375.94	2.54	-67.19
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029749258	0	48	0.0	-72.01	377.64	3.21	-68.80
C[NH+](C)CCC1(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CCCC1	REAL300029749271	0	57	0.0	-65.25	413.76	4.27	-60.98
CC1CCCC(C)[NH+]1CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029749273	0	57	0.0	-67.45	420.84	4.69	-62.76
C[NH+](C)C1CCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029749276	0	54	0.0	-67.77	398.89	4.00	-63.77
C[NH+](C)CCC1(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029749277	0	51	0.0	-66.74	401.85	3.92	-62.82
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029749279	0	54	0.0	-68.94	397.28	3.96	-64.98
C[N@@H+]1CC=CCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029749280	0	49	0.0	-66.96	374.86	3.55	-63.41
C[N@H+]1CC=CCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029749280	1	49	0.0	-70.94	381.75	3.65	-67.29
CC1=CC(C=CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)=C[NH+]=C1N	REAL300029749340	1	48	0.0	-72.67	395.59	2.57	-70.10
C[NH+](C)CCOCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029749354	0	48	0.0	-71.43	387.40	2.70	-68.73
CCCCC[N@H+](C)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029749360	0	56	0.0	-75.73	436.08	5.15	-70.58
CCCCC[N@@H+](C)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029749360	1	56	0.0	-72.72	434.82	5.11	-67.61
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)O1	REAL300029749373	0	52	0.0	-71.19	405.27	3.32	-67.87
[NH2+]=C1SC=CN1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029749404	0	41	0.0	-68.39	358.60	1.75	-66.64
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029749493	0	51	0.0	-69.80	399.85	3.05	-66.75
O=C(CC[NH+]1CCCCCC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029749560	0	54	0.0	-72.47	404.27	4.21	-68.26
O=C(C[NH+]1CCCCC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029749564	0	48	0.0	-72.29	373.26	3.44	-68.85
C[N@@H+]1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029749566	0	48	0.0	-79.47	372.54	3.00	-76.47
C[N@H+]1CCCC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029749566	1	48	0.0	-69.37	367.71	3.26	-66.11
O=C(C[NH+]1CCC(CO)CC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029749567	1	52	0.0	-74.42	404.94	0.74	-73.68
O=C(C[NH+]1CCCCCC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029749573	0	51	0.0	-71.91	382.63	3.60	-68.31
CN1C=C[N+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)=C1	REAL300029749580	0	43	0.0	-70.16	362.76	5.08	-65.08
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029749598	0	57	0.0	-77.29	405.70	3.60	-73.69
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029749598	1	57	0.0	-76.08	411.84	4.19	-71.89
C[NH+](C)CC1=CC=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)O1	REAL300029749603	1	48	0.0	-73.33	389.04	3.13	-70.20
C[NH+](C)CC1=CC=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C=N1	REAL300029749611	0	50	0.0	-75.22	405.81	2.95	-72.27
O=C(C[NH+]1CCC(O)CC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029749628	1	49	0.0	-77.20	384.35	0.09	-77.11
C[N@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)C1CC1	REAL300029749634	0	45	0.0	-66.46	359.51	2.94	-63.52
C[N@@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)C1CC1	REAL300029749634	1	45	0.0	-67.09	359.66	2.94	-64.15
CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)N1CC[NH+](C)CC1	REAL300029749636	1	53	0.0	-68.94	400.67	1.22	-67.72
O=C(CC[N@H+]1CCC(F)C1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029749640	0	48	0.0	-73.75	384.87	3.42	-70.33
O=C(CC[N@@H+]1CCC(F)C1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029749640	1	48	0.0	-75.04	384.37	3.34	-71.70
COC1C[N@H+](C)C(C)(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029749655	0	52	0.0	-65.81	392.29	1.29	-64.52
COC1C[N@@H+](C)C(C)(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029749655	1	52	0.0	-68.80	390.08	0.86	-67.94
CC(CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)C[NH+](C)C	REAL300029749677	0	50	0.0	-73.70	388.71	3.64	-70.06
O=C(NC1CCN(C(=O)C2CC[N@@H+]3CCOCC23)CC1F)C1=CC(=O)[N-]O1	REAL300029749699	0	50	0.0	-70.85	382.29	1.62	-69.23
O=C(NC1CCN(C(=O)C2CC[N@H+]3CCOCC23)CC1F)C1=CC(=O)[N-]O1	REAL300029749699	1	50	0.0	-69.66	381.26	1.73	-67.93
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(NC(=O)C4=CC(=O)[N-]O4)C(F)C3)=CN21	REAL300029749705	0	46	0.0	-70.66	380.78	4.50	-66.16
C[N@@H+]1CCOCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029749725	1	49	0.0	-69.41	371.76	1.21	-68.20
C[N@H+]1CCOCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029749725	1	49	0.0	-75.54	380.80	1.41	-74.13
CC[NH+]1CCN(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029749736	0	53	0.0	-71.22	404.90	1.63	-69.59
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029749804	1	44	0.0	-69.09	361.62	0.83	-68.26
NC1=CC=C(CCC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C=[NH+]1	REAL300029749807	0	47	0.0	-70.47	390.50	2.10	-68.37
CC1(O)CC[N@H+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029749862	0	49	0.0	-68.05	387.05	-0.05	-68.10
CC1(O)CC[N@@H+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029749862	1	49	0.0	-69.96	386.83	-0.03	-69.99
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029749870	0	51	0.0	-66.61	406.42	2.79	-63.82
C[NH+]1CC(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C1	REAL300029749905	0	45	0.0	-71.42	361.54	2.40	-69.02
O=C(NC1CCN(C(=O)C2CC[N@@H+]2C2CCCC2)CC1F)C1=CC(=O)[N-]O1	REAL300029749911	0	52	0.0	-66.48	395.10	4.10	-62.38
O=C(NC1CCN(C(=O)C2CC[N@H+]2C2CCCC2)CC1F)C1=CC(=O)[N-]O1	REAL300029749911	1	52	0.0	-72.02	401.60	4.28	-67.74
C[NH+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029749920	0	41	0.0	-69.89	330.25	1.53	-68.36
C[N@H+](CCO)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029749960	0	48	0.0	-70.54	380.70	-0.43	-70.97
C[N@@H+](CCO)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029749960	1	48	0.0	-73.44	381.93	-0.39	-73.83
C[C@@H](C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+](C)C	REAL300029749961	0	44	0.0	-66.12	347.13	1.93	-64.19
C[N@@H+]1CCCCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029749985	0	51	0.0	-64.37	382.00	3.65	-60.72
C[N@H+]1CCCCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029749985	1	51	0.0	-66.96	382.01	3.66	-63.30
CC1=C2C=C(C(=O)N3CCC(NC(=O)C4=CC(=O)[N-]O4)C(F)C3)C=CN2C=[NH+]1	REAL300029750015	1	46	0.0	-72.04	385.42	5.47	-66.57
CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+]1CC(C)C1	REAL300029750016	1	48	0.0	-64.53	379.61	3.06	-61.47
CC1CC[N@@H+]1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029750022	1	45	0.0	-67.00	356.08	2.36	-64.64
CC1CC[N@H+]1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029750022	1	45	0.0	-66.95	356.00	2.33	-64.62
C[NH+](C)CC=CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029750040	0	45	0.0	-75.85	366.38	2.80	-73.05
O=C(CCCC[NH+]1CCCCC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029750068	0	57	0.0	-72.73	438.03	5.60	-67.13
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)N1	REAL300029750081	1	49	0.0	-64.77	400.48	2.86	-61.91
C[NH+]1CCC(C2(C(=O)N3CCC(NC(=O)C4=CC(=O)[N-]O4)C(F)C3)CC2)CC1	REAL300029750092	0	55	0.0	-77.48	414.68	4.83	-72.65
CC1=C2C=C(C(=O)N3CCC(NC(=O)C4=CC(=O)[N-]O4)C(F)C3)C=CN2C=[NH+]1	REAL300029750102	1	46	0.0	-72.04	385.42	5.47	-66.57
C[NH+](C)CCSCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029750114	0	48	0.0	-76.33	398.42	3.59	-72.74
O=C(C[N@H+]1CCCC1CO)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029750143	0	49	0.0	-71.83	386.13	0.23	-71.60
O=C(C[N@@H+]1CCCC1CO)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029750143	1	49	0.0	-67.27	380.31	-0.35	-67.62
CC[NH+](CC)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029750147	0	47	0.0	-70.79	367.51	2.93	-67.86
C[N@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)C1CCSC1	REAL300029750158	0	49	0.0	-78.50	390.98	3.80	-74.70
C[N@@H+](CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)C1CCSC1	REAL300029750158	1	49	0.0	-74.78	389.53	3.79	-70.99
O=C(C[NH+]1CCC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029750160	1	42	0.0	-68.45	340.90	2.01	-66.44
CC[NH+](CC)CCC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029750220	0	50	0.0	-70.24	383.86	3.23	-67.01
NC(=O)C1CC[NH+](CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029750245	0	52	0.0	-86.18	409.17	0.12	-86.06
C[NH+](C)CC1=CNC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)=C1	REAL300029750297	0	49	0.0	-73.59	391.93	3.00	-70.59
CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+]1CCC(O)CC1	REAL300029750318	1	52	0.0	-72.07	394.30	0.18	-71.89
O=C(NC1CCN(C(=O)C2CC3COCC[N@@H+]3C2)CC1F)C1=CC(=O)[N-]O1	REAL300029750326	0	50	0.0	-68.17	384.85	1.76	-66.41
O=C(NC1CCN(C(=O)C2CC3COCC[N@H+]3C2)CC1F)C1=CC(=O)[N-]O1	REAL300029750326	1	50	0.0	-71.21	384.23	1.66	-69.55
CC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+]1CCC1	REAL300029750344	1	45	0.0	-69.50	349.14	2.07	-67.43
CCC(CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)C[NH+](C)C	REAL300029750355	0	53	0.0	-75.61	405.09	4.22	-71.39
NC1=CC=C(C=CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C=[NH+]1	REAL300029750363	0	45	0.0	-73.71	377.80	1.82	-71.89
C[NH+](C)CC(C)(C)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029750364	0	50	0.0	-71.26	369.91	2.92	-68.34
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029750437	0	48	0.0	-77.76	361.27	2.71	-75.05
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029750437	1	48	0.0	-68.35	371.77	3.17	-65.18
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029750454	0	51	0.0	-83.09	377.91	0.07	-83.02
CC1CN2CC[N@H+]1CC2C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029750454	1	51	0.0	-74.06	378.10	0.10	-73.96
C[NH+](C)CC(O)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029750483	0	48	0.0	-76.89	384.01	0.64	-76.25
C[NH+]1C2CCC1CC(C(=O)N1CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C1)C2	REAL300029750486	0	52	0.0	-67.54	375.64	3.28	-64.26
C=CCC(C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1)[NH+](C)C	REAL300029750531	0	48	0.0	-65.95	371.54	2.92	-63.03
O=C(NC1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC1F)C1=CC(=O)[N-]O1	REAL300029750543	0	52	0.0	-70.28	395.03	4.12	-66.16
O=C(NC1CCN(C(=O)C2CC3CCCC[N@H+]3C2)CC1F)C1=CC(=O)[N-]O1	REAL300029750543	1	52	0.0	-67.21	393.33	4.06	-63.15
C[NH+]1CCC(C)(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029750557	0	51	0.0	-70.53	376.30	2.97	-67.56
C[NH+]1CCC(O)(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)CC1	REAL300029750562	0	52	0.0	-73.22	399.09	1.84	-71.38
COCC[N@@H+]1CCCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029750577	0	55	0.0	-62.37	420.79	3.51	-58.86
COCC[N@H+]1CCCC1CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029750577	1	55	0.0	-67.84	428.83	3.02	-64.82
C[NH+]1C2CCC1CC(CC(=O)N1CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C1)C2	REAL300029750589	0	55	0.0	-72.00	395.92	4.04	-67.96
C[NH+](C)CCN1N=CC=C1C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029750625	0	51	0.0	-71.73	406.99	2.79	-68.94
C[NH+]1CCC(C2(C(=O)NC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3F)CC2)CC1	REAL300029750670	0	55	0.0	-68.47	415.52	5.04	-63.43
CC1=C2C=C(C(=O)NC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3F)C=CN2C=[NH+]1	REAL300029750681	1	46	0.0	-74.46	379.41	5.36	-69.10
C[NH+](C)CCSCC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029750692	0	48	0.0	-75.92	394.35	3.22	-72.70
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CC2COCC[N@@H+]2C1	REAL300029750704	0	50	0.0	-67.12	387.08	1.81	-65.31
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1CC2COCC[N@H+]2C1	REAL300029750704	1	50	0.0	-73.22	384.51	1.71	-71.51
C[N@@H+]1CCCC1C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029750867	0	49	0.0	-73.41	366.39	4.19	-69.22
C[N@H+]1CCCC1C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029750867	1	49	0.0	-65.99	370.50	3.82	-62.17
C[N@@H+]1CCOC(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029750891	1	50	0.0	-87.62	378.51	3.68	-83.94
C[N@H+]1CCOC(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029750891	1	50	0.0	-83.35	370.74	3.53	-79.82
CC(C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300029751062	0	58	0.0	-64.07	413.42	5.18	-58.89
CC(C)[N@@H+]1CCCCC1C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029751064	0	58	0.0	-71.22	413.44	5.76	-65.46
CC(C)[N@H+]1CCCCC1C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029751064	1	58	0.0	-71.75	407.76	5.81	-65.94
CC(C)[N@@H+]1CCCC1C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029751085	0	55	0.0	-62.87	391.94	4.80	-58.07
CC(C)[N@H+]1CCCC1C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029751085	1	55	0.0	-75.93	386.52	5.14	-70.79
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@@H+]2C1	REAL300029751102	0	56	0.0	-75.22	408.01	5.92	-69.30
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@H+]2C1	REAL300029751102	1	56	0.0	-79.11	408.06	5.93	-73.18
CC(C)C1=[NH+]C=CN1CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029751124	1	53	0.0	-72.01	406.62	5.96	-66.05
CC1=[NH+]C=CN1CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029751158	1	47	0.0	-73.19	370.30	4.83	-68.36
CC(C[NH+]1CCOCC1)C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029751160	0	56	0.0	-64.58	415.12	3.60	-60.98
O=C(CCC[NH+]1CCCCC1)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029751177	0	58	0.0	-69.20	429.93	5.97	-63.23
CC(C)(C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300029751196	0	58	0.0	-76.47	410.22	6.18	-70.29
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCC1CC2	REAL300029751206	0	53	0.0	-81.93	381.83	5.03	-76.90
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1CCCC2CCC[N@@H+]21	REAL300029751252	0	56	0.0	-61.49	408.67	5.61	-55.88
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1CCCC2CCC[N@H+]21	REAL300029751252	1	56	0.0	-72.56	396.12	5.79	-66.77
C[C@@H]1[C@H](C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029751268	0	52	0.0	-70.92	381.87	3.94	-66.98
C[C@@H]1[C@H](C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029751268	1	52	0.0	-79.92	383.06	4.49	-75.43
CC[C@@H]1[C@@H](C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029751273	0	55	0.0	-78.48	397.17	4.93	-73.55
CC[C@@H]1[C@@H](C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029751273	1	55	0.0	-75.31	401.06	5.50	-69.81
CC[N@@H+]1CCOC(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029751288	1	53	0.0	-75.49	399.64	3.82	-71.67
CC[N@H+]1CCOC(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029751288	1	53	0.0	-62.90	392.17	3.69	-59.21
CC[NH+](CC)CC(F)C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029751334	0	54	0.0	-76.80	403.03	5.10	-71.70
CC1CCC(C)[NH+]1CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029751407	0	55	0.0	-64.09	401.52	4.63	-59.46
O=C(CCC[NH+]1CCCC1)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029751413	0	55	0.0	-76.58	410.27	5.77	-70.81
C[NH+](C)CC1=CC=CC(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029751414	0	55	0.0	-77.03	418.59	6.73	-70.30
C#CC[NH+]1CCC(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029751419	0	54	0.0	-72.49	414.17	5.58	-66.91
O=C(CC[NH+]1CCCCC1)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029751420	0	55	0.0	-68.59	408.43	5.15	-63.44
C[NH+](C)CC1=CC=CC=C1C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029751423	0	55	0.0	-65.35	411.45	6.96	-58.39
CC[N@@H+]1CCCCC1C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029751427	0	55	0.0	-62.09	404.32	4.97	-57.12
CC[N@H+]1CCCCC1C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029751427	1	55	0.0	-73.22	391.17	5.30	-67.92
C[NH+](C)C(C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300029751430	1	55	0.0	-64.04	419.09	6.22	-57.82
CC(C)C[N@@H+]1CCC(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029751447	0	58	0.0	-77.12	425.79	6.23	-70.89
CC(C)C[N@H+]1CCC(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029751447	1	58	0.0	-77.81	425.04	6.16	-71.65
C[NH+](C)C1(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029751451	0	52	0.0	-72.03	373.96	4.85	-67.18
CC(C)[N@@H+]1CCCC1CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029751453	0	58	0.0	-69.12	410.69	5.79	-63.33
CC(C)[N@H+]1CCCC1CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029751453	1	58	0.0	-64.73	414.59	4.86	-59.87
CC(C)[C@@H](C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029751468	0	54	0.0	-64.71	393.45	4.97	-59.74
C[N@H+](CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029751517	0	52	0.0	-75.50	386.70	5.23	-70.27
C[N@@H+](CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029751517	1	52	0.0	-75.94	386.98	5.20	-70.74
CC(C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300029751581	0	58	0.0	-62.79	405.37	4.46	-58.33
CN(CCC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1=CC=[NH+]C=C1	REAL300029751637	0	54	0.0	-64.20	418.90	4.38	-59.82
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029751645	1	51	0.0	-63.73	390.77	4.51	-59.22
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029751645	1	51	0.0	-65.94	396.64	5.05	-60.89
C[N@@H+]1CCCC1CCC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029751651	0	55	0.0	-80.18	407.94	5.72	-74.46
C[N@H+]1CCCC1CCC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029751651	1	55	0.0	-75.34	402.29	5.26	-70.08
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+](CCC1)C2	REAL300029751662	0	56	0.0	-69.69	401.55	4.95	-64.74
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1CCC2CCCC[N@@H+]21	REAL300029751669	0	56	0.0	-74.40	401.64	5.73	-68.67
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1CCC2CCCC[N@H+]21	REAL300029751669	1	56	0.0	-71.99	408.69	6.14	-65.85
O=C(CCCC[NH+]1CCCC1)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029751689	0	58	0.0	-69.67	435.75	6.04	-63.63
C[N@H+](CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029751691	1	55	0.0	-71.83	421.08	6.33	-65.50
C[N@@H+](CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029751691	1	55	0.0	-82.81	417.19	6.84	-75.97
C[NH+]1CCC(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029751702	0	52	0.0	-80.47	385.42	4.89	-75.58
C[NH+](C)CC1=CC(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)=NO1	REAL300029751743	1	51	0.0	-78.81	403.26	3.80	-75.01
CC1=C(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300029751744	0	50	0.0	-75.08	384.60	7.12	-67.96
C[N@@H+]1CCCCC1C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029751776	0	52	0.0	-75.07	373.43	4.66	-70.41
C[N@H+]1CCCCC1C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029751776	1	52	0.0	-73.36	382.66	4.86	-68.50
CC(C)C[N@@H+]1CCCC1C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029751799	0	58	0.0	-74.76	419.52	5.89	-68.87
CC(C)C[N@H+]1CCCC1C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029751799	1	58	0.0	-74.13	425.60	6.40	-67.73
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1=CN2C=[NH+]C=C2C=C1	REAL300029751904	0	47	0.0	-69.58	374.32	6.27	-63.31
CC1=[NH+]C=CN1CCCC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029751913	1	53	0.0	-73.32	411.84	6.11	-67.21
C[NH+](C)CC1=CC=C(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300029751918	0	55	0.0	-83.22	419.00	6.71	-76.51
O=C(CC[NH+]1CCOCC1)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029751919	1	53	0.0	-71.50	399.69	2.73	-68.77
CC1=C[NH+]=CN1CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029751950	1	47	0.0	-76.33	370.63	5.56	-70.77
O=C(CN1C=[NH+]C2=C1CCCC2)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029751956	1	54	0.0	-65.49	416.01	6.81	-58.68
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+]1CCC2	REAL300029751992	0	53	0.0	-76.46	383.65	5.02	-71.44
C[NH+](C)C1CCCC(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029752021	0	58	0.0	-65.94	416.44	5.43	-60.51
C[N@@H+]1CCC(CC(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029752024	0	52	0.0	-71.66	390.69	4.35	-67.31
C[N@H+]1CCC(CC(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029752024	1	52	0.0	-77.47	386.96	4.83	-72.64
CN(C)C1=CC=[NH+]C=C1C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029752036	0	51	0.0	-70.95	394.88	3.58	-67.37
CCC(C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029752041	0	51	0.0	-73.41	370.42	4.28	-69.13
C[NH+](C)C1(CC(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029752055	0	58	0.0	-79.41	404.35	5.70	-73.71
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1=CC2=C[NH+]=CN2C=C1	REAL300029752099	1	47	0.0	-71.85	374.59	6.27	-65.58
C[NH+](C)CCCCC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029752157	0	54	0.0	-71.05	409.79	4.87	-66.18
CC(C)C(C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029752177	0	54	0.0	-76.65	384.82	4.66	-71.99
CCC[N@H+](C)CCC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029752179	0	54	0.0	-69.68	406.02	4.67	-65.01
CCC[N@@H+](C)CCC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029752179	1	54	0.0	-69.85	406.02	4.68	-65.17
CCC[N@H+](C)CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029752185	0	51	0.0	-77.91	380.09	4.63	-73.28
CCC[N@@H+](C)CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029752185	1	51	0.0	-77.93	379.71	4.67	-73.26
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C12CC[N@H+](C1)CCC2	REAL300029752209	0	53	0.0	-81.92	382.75	4.48	-77.44
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C12CC[N@@H+](C1)CCC2	REAL300029752209	1	53	0.0	-68.47	386.08	3.97	-64.50
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029752249	0	49	0.0	-75.96	360.58	3.78	-72.18
C[N@H+]1CCC[C@@H]1C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029752249	1	49	0.0	-74.01	365.56	4.32	-69.69
CCCCCC[N@H+](C)CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029752309	0	60	0.0	-79.14	444.60	6.98	-72.16
CCCCCC[N@@H+](C)CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029752309	1	60	0.0	-79.14	444.21	7.02	-72.12
CC[NH+](CC)C(C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300029752314	0	60	0.0	-75.88	419.74	6.11	-69.77
CC[NH+](CC)CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029752323	0	51	0.0	-66.32	376.02	3.82	-62.50
CCC[N@@H+]1CCCC(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029752355	0	58	0.0	-75.88	424.23	6.27	-69.61
CCC[N@H+]1CCCC(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029752355	1	58	0.0	-67.43	428.20	5.77	-61.66
CC(C)[N@@H+]1CCOC(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029752372	1	56	0.0	-85.20	412.45	4.86	-80.34
CC(C)[N@H+]1CCOC(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029752372	1	56	0.0	-68.64	416.02	4.36	-64.28
CC1CC[NH+](CC(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029752404	0	55	0.0	-78.41	403.00	5.72	-72.69
C[NH+]1CCC(OCC(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029752432	0	56	0.0	-81.52	420.82	5.31	-76.21
C[NH+](C)CC1(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029752446	0	52	0.0	-60.67	393.47	4.75	-55.92
CC1=[NH+]C=C2CCC(C(=O)NC3CCC4CC3CN4C(=O)C3=CC(=O)[N-]O3)CN21	REAL300029752447	1	54	0.0	-70.69	408.49	5.96	-64.73
CC(C)[NH+]1CCC(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029752522	0	58	0.0	-77.75	416.09	5.83	-71.92
C[NH+]1CCC(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029752543	0	52	0.0	-80.47	385.42	4.89	-75.58
CC(C)[C@H](C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029752561	0	54	0.0	-74.80	387.47	5.07	-69.73
CCC(C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300029752592	0	57	0.0	-70.59	406.15	5.67	-64.92
CC[N@H+](C)CCC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029752654	0	51	0.0	-69.15	384.52	3.93	-65.22
CC[N@@H+](C)CCC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029752654	1	51	0.0	-69.21	384.53	3.94	-65.27
CC1CCC[N@@H+]1CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029752710	0	52	0.0	-75.06	385.89	5.03	-70.03
CC1CCC[N@H+]1CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029752710	1	52	0.0	-74.29	379.53	4.63	-69.66
CC1CC[N@H+](CC(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029752712	0	52	0.0	-77.28	386.93	4.96	-72.32
CC1CC[N@@H+](CC(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029752712	1	52	0.0	-67.27	389.50	4.44	-62.83
CC1=[NH+]C=C2CC(C(=O)NC3CCC4CC3CN4C(=O)C3=CC(=O)[N-]O3)CCN21	REAL300029752714	1	54	0.0	-75.02	410.10	5.97	-69.05
CC1(C)CC[N@H+](CC(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029752717	0	55	0.0	-77.46	405.89	5.48	-71.98
CC1(C)CC[N@@H+](CC(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029752717	1	55	0.0	-77.56	406.02	5.48	-72.08
C[N@H+](CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029752718	0	57	0.0	-77.72	409.22	5.69	-72.03
C[N@@H+](CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029752718	1	57	0.0	-77.51	410.76	5.75	-71.76
CC[C@@H](C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029752727	0	51	0.0	-75.24	373.11	4.41	-70.83
C[NH+]1CCC(O)(CC(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029752906	0	56	0.0	-72.16	414.70	3.07	-69.09
C[NH+](C)CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029752918	0	45	0.0	-68.75	344.43	2.73	-66.02
O=C(C[NH+]1CCC(CO)CC1)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029752922	1	56	0.0	-69.61	417.84	1.91	-67.70
O=C(C[NH+]1CCCCCC1)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029752924	0	55	0.0	-68.08	395.11	4.81	-63.27
CN1C=C[N+](CC(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029752928	0	47	0.0	-74.53	372.11	6.72	-67.81
C[N@@H+]1CCCC(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029752935	0	52	0.0	-63.16	382.62	4.62	-58.54
C[N@H+]1CCCC(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029752935	1	52	0.0	-65.37	382.47	4.57	-60.80
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1CCC[N@@H+]1C1CC1	REAL300029752940	0	53	0.0	-62.73	400.16	5.26	-57.47
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1CCC[N@H+]1C1CC1	REAL300029752940	1	53	0.0	-71.84	393.07	5.65	-66.19
CC(C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300029752969	1	49	0.0	-74.50	368.64	4.33	-70.17
CCC(CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029752975	0	57	0.0	-69.97	419.27	5.34	-64.63
C[NH+](C)CC(C)(C)C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029752982	0	54	0.0	-68.87	391.63	4.41	-64.46
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C12CC(C1)C[N@@H+]2C1CC1	REAL300029753000	0	54	0.0	-61.68	399.39	5.36	-56.32
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C12CC(C1)C[N@H+]2C1CC1	REAL300029753000	1	54	0.0	-62.67	398.93	5.80	-56.87
O=C(C[NH+]1CCC(O)CC1)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753011	1	53	0.0	-81.83	393.25	1.76	-80.07
C[N@H+](CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029753012	0	49	0.0	-65.77	373.69	4.14	-61.63
C[N@@H+](CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029753012	1	49	0.0	-65.77	373.83	4.14	-61.63
CC(C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300029753013	1	57	0.0	-68.45	415.10	2.58	-65.87
C[NH+]1CC(CC(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029753032	0	49	0.0	-68.48	375.87	3.55	-64.93
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1CC[N@@H+]1C1CCCC1	REAL300029753036	0	56	0.0	-67.45	416.59	5.72	-61.73
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1CC[N@H+]1C1CCCC1	REAL300029753036	1	56	0.0	-66.50	415.10	5.61	-60.89
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753044	0	55	0.0	-75.73	385.47	4.31	-71.42
CC(C)(C)[N@H+]1CCC1C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753044	1	55	0.0	-63.77	406.11	4.51	-59.26
C[C@@H](C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029753055	0	48	0.0	-76.21	358.30	3.67	-72.54
CCC1CCC[N@H+](CC(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029753097	0	58	0.0	-78.22	421.55	6.36	-71.86
CCC1CCC[N@@H+](CC(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029753097	1	58	0.0	-78.23	421.83	6.32	-71.91
C[NH+](C)CC1=CC=C(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)N1	REAL300029753105	0	53	0.0	-86.36	407.03	4.68	-81.68
[NH2+]=C1SC=CN1CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753150	0	45	0.0	-72.99	367.94	3.40	-69.59
C[N@H+](CCO)CCC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753160	0	52	0.0	-69.78	394.88	0.72	-69.06
C[N@@H+](CCO)CCC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753160	1	52	0.0	-68.53	394.86	0.70	-67.83
C[C@@H](C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029753161	0	48	0.0	-76.21	358.30	3.67	-72.54
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753165	0	52	0.0	-75.00	373.49	4.65	-70.35
C[N@H+]1CCCC[C@@H]1C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753165	1	52	0.0	-74.58	382.44	4.84	-69.74
CC1CN2CC[N@@H+]1CC2C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753174	0	55	0.0	-73.83	396.97	1.70	-72.13
CC1CN2CC[N@H+]1CC2C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753174	1	55	0.0	-74.07	395.48	1.65	-72.42
O=C(CC1=CC2=C[NH+]=CN2C=C1)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753220	0	50	0.0	-74.21	394.84	7.42	-66.79
C[N@H+](CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029753245	0	53	0.0	-83.20	400.37	5.44	-77.76
C[N@@H+](CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029753245	1	53	0.0	-72.59	403.70	4.98	-67.61
O=C(C[NH+]1CCC1)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753246	1	46	0.0	-77.85	350.78	3.74	-74.11
C[NH+](C)CC1=CC(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)=CC=N1	REAL300029753276	1	54	0.0	-74.93	414.64	4.90	-70.03
C[N@@H+]1CCC(=CC(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029753278	0	50	0.0	-78.69	379.38	4.75	-73.94
C[N@H+]1CCC(=CC(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029753278	1	50	0.0	-72.92	383.33	4.28	-68.64
C[NH+](C)CCOCC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753312	0	52	0.0	-70.25	400.30	3.79	-66.46
CCCCC[N@H+](C)CCC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753318	0	60	0.0	-80.08	445.02	6.75	-73.33
CCCCC[N@@H+](C)CCC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753318	1	60	0.0	-70.82	449.02	6.24	-64.58
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)O1	REAL300029753327	0	56	0.0	-76.27	419.41	5.18	-71.09
C=CCC(C)(C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029753334	0	55	0.0	-70.38	399.15	4.95	-65.43
C[S+](C)CCC(O)C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753339	0	51	0.0	-83.03	405.27	2.88	-80.15
C[N@@H+]1CC(O)CC1(C)C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753366	0	53	0.0	-84.00	388.24	1.33	-82.67
CN1CC[N@H+](C)CC(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029753378	0	57	0.0	-71.46	413.11	2.32	-69.14
CN1CC[N@@H+](C)CC(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029753378	1	57	0.0	-71.46	413.11	2.32	-69.14
CC(C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300029753379	0	56	0.0	-76.46	409.29	2.37	-74.09
O=C(CN1CCC(CO)CC1)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753389	0	56	0.0	-69.61	417.84	1.91	-67.70
O=C(C[NH+]1CCC(CO)CC1)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753389	1	56	0.0	-69.61	417.84	1.91	-67.70
C[N@@H+]1CCCC(O)(CC(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029753398	0	56	0.0	-68.98	401.85	3.01	-65.97
C[N@H+]1CCCC(O)(CC(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029753398	1	56	0.0	-68.98	401.85	3.01	-65.97
CC1CN(CC(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029753401	0	49	0.0	-67.84	375.43	3.86	-63.98
CC1C[NH+](CC(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029753401	1	49	0.0	-67.84	375.43	3.86	-63.98
CN(CCO)CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753428	0	49	0.0	-78.46	368.56	0.68	-77.78
C[N@H+](CCO)CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753428	1	49	0.0	-77.82	368.96	0.66	-77.16
C[N@@H+](CCO)CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753428	1	49	0.0	-77.82	368.96	0.66	-77.16
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1C[N@@H+]2CCN1CCC2	REAL300029753451	0	55	0.0	-76.83	391.25	2.55	-74.28
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1C[N@H+]2CCN1CCC2	REAL300029753451	1	55	0.0	-76.83	391.25	2.55	-74.28
CC[N@@H+]1CCCC(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029753457	0	55	0.0	-75.27	402.70	5.53	-69.74
CC[N@H+]1CCCC(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029753457	1	55	0.0	-75.27	402.70	5.53	-69.74
CC(CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029753459	0	54	0.0	-70.86	401.62	4.74	-66.12
CC[N@H+](C)CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753472	0	48	0.0	-77.49	358.21	3.92	-73.57
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C12CCC[N@@H+]1CCCC2	REAL300029753500	0	56	0.0	-63.54	399.42	5.35	-58.19
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C12CCC[N@H+]1CCCC2	REAL300029753500	1	56	0.0	-63.54	399.42	5.35	-58.19
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C12CCC[N@@H+]1CC=CC2	REAL300029753507	0	54	0.0	-77.36	385.42	6.17	-71.19
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C12CCC[N@H+]1CC=CC2	REAL300029753507	1	54	0.0	-77.36	385.42	6.17	-71.19
CC[N@H+](CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029753528	0	52	0.0	-65.49	390.47	4.75	-60.74
CC[NH+](CC)CCC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753546	0	54	0.0	-68.64	398.03	4.37	-64.27
CC1(O)CC[N@H+](CC(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029753599	0	53	0.0	-68.28	400.19	1.16	-67.12
C[NH+](C)CC=CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753606	0	49	0.0	-71.34	380.39	3.96	-67.38
CC(OCC[NH+](C)C)C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753628	0	55	0.0	-73.00	416.38	4.97	-68.03
C[NH+](C)CCOCCC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753637	0	55	0.0	-68.09	421.25	3.52	-64.57
COCCN(C)CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753638	0	52	0.0	-77.57	391.20	3.07	-74.50
COCC[N@H+](C)CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753638	1	52	0.0	-78.84	390.82	3.08	-75.76
COCC[N@@H+](C)CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753638	1	52	0.0	-78.84	390.82	3.08	-75.76
C[NH+](C)C1(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029753674	0	55	0.0	-82.41	386.76	5.31	-77.10
CC(CCC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029753677	0	54	0.0	-69.11	398.07	4.45	-64.66
CCN1CCC1C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753686	0	49	0.0	-65.56	368.94	3.49	-62.07
CC[N@@H+]1CCC1C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753686	1	49	0.0	-65.17	368.74	3.39	-61.78
CC[N@H+]1CCC1C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753686	1	49	0.0	-65.17	368.74	3.39	-61.78
CC(C)[N@@H+]1CCCC(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029753696	0	58	0.0	-74.47	419.29	6.05	-68.42
CC(C)[N@H+]1CCCC(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029753696	1	58	0.0	-74.47	419.29	6.05	-68.42
O=C(C[N@H+]1CCCC1CO)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753709	0	53	0.0	-73.96	386.35	1.80	-72.16
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@@H+]2C1	REAL300029753731	0	56	0.0	-79.11	408.06	5.93	-73.18
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@H+]2C1	REAL300029753731	1	56	0.0	-79.11	408.06	5.93	-73.18
C[NH+]1CCC(C)(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029753737	0	55	0.0	-73.89	397.85	5.32	-68.57
CC(C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)N1CCC(O)CC1	REAL300029753759	0	56	0.0	-67.82	407.79	1.55	-66.27
CC(C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300029753759	1	56	0.0	-67.82	407.79	1.55	-66.27
C=CCC(C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029753767	0	52	0.0	-73.80	384.46	4.73	-69.07
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753780	0	55	0.0	-63.77	404.86	4.37	-59.40
C[NH+](C)CCCCCC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753784	0	57	0.0	-71.19	431.29	5.64	-65.55
CC1C[N@@H+]2CCN1C(C(=O)NC1CCC3CC1CN3C(=O)C1=CC(=O)[N-]O1)C2	REAL300029753819	0	55	0.0	-83.14	393.93	2.26	-80.88
CCCC(C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029753820	0	54	0.0	-75.28	393.12	5.03	-70.25
C[NH+](C)C(C)(C)C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753824	0	51	0.0	-69.15	371.88	3.88	-65.27
C[N@@H+]1CCCCC1C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753866	0	52	0.0	-75.07	373.43	4.66	-70.41
C[N@H+]1CCCCC1C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753866	1	52	0.0	-73.36	382.66	4.86	-68.50
C[N@H+]1CC=C(CC(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029753906	0	53	0.0	-74.19	399.57	5.55	-68.64
C[N@@H+]1CC=C(CC(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029753906	1	53	0.0	-72.25	399.56	5.56	-66.69
O=C(CC1([NH+]2CCCC2)CC1)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753915	0	56	0.0	-73.65	405.57	6.00	-67.65
C[NH+](C)CC1=CC=C(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)O1	REAL300029753964	1	52	0.0	-73.25	408.71	4.57	-68.68
C[NH+](C)CC1=CC=C(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C=N1	REAL300029753969	0	54	0.0	-74.24	418.08	4.78	-69.46
O=C(C=CC[NH+]1CCCC1)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753981	0	53	0.0	-79.15	403.18	5.64	-73.51
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1CC[NH+](C2CC2)CC1	REAL300029754005	0	56	0.0	-77.92	414.77	6.29	-71.63
C[NH+](C)C1(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029754026	0	49	0.0	-70.78	373.06	4.07	-66.71
O=C(CC[NH+]1CCCC1)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029754028	0	52	0.0	-68.56	392.76	4.46	-64.10
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCN1CC2	REAL300029754066	0	52	0.0	-85.31	376.86	1.71	-83.60
C[N@@H+]1CC2CC1(C(=O)NC1CCC3CC1CN3C(=O)C1=CC(=O)[N-]O1)C2	REAL300029754076	0	50	0.0	-68.67	376.94	3.89	-64.78
C[N@H+]1CC2CC1(C(=O)NC1CCC3CC1CN3C(=O)C1=CC(=O)[N-]O1)C2	REAL300029754076	1	50	0.0	-80.69	372.12	4.28	-76.41
O=C(C[N@@H+]1CC2CCC1C2)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029754090	0	53	0.0	-66.20	388.11	4.64	-61.56
O=C(C[N@H+]1CC2CCC1C2)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029754090	1	53	0.0	-74.82	385.01	5.14	-69.68
O=C(C=C1C[NH+]2CCC1CC2)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029754131	0	54	0.0	-68.16	400.91	5.15	-63.01
O=C(C[N@@H+]1CC2C=CC1C2)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029754141	1	51	0.0	-65.03	383.46	4.60	-60.43
O=C(C[N@H+]1CC2C=CC1C2)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029754141	1	51	0.0	-76.10	379.83	5.23	-70.87
CC[NH+]1CCN(CC(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029754173	0	57	0.0	-74.48	417.25	3.45	-71.03
CC(C[NH+](C)C)C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029754193	0	51	0.0	-77.79	379.20	4.50	-73.29
C[N@@H+]1CCCCC1CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029754271	0	55	0.0	-69.74	392.23	5.32	-64.42
C[N@H+]1CCCCC1CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029754271	1	55	0.0	-69.97	403.41	4.97	-65.00
CC1=C2C=C(C(=O)NC3CCC4CC3CN4C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029754287	1	50	0.0	-79.07	392.79	7.31	-71.76
CC(C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300029754288	1	52	0.0	-66.13	391.68	4.49	-61.64
CC1CC[N@@H+]1CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029754291	1	49	0.0	-66.36	370.21	3.55	-62.81
CC1CC[N@H+]1CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029754291	1	49	0.0	-76.28	371.81	4.33	-71.95
C[NH+](C)CC(O)CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029754296	0	52	0.0	-72.73	397.04	1.76	-70.97
CC1C[N@H+](C)CC(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)O1	REAL300029754324	1	53	0.0	-72.36	395.64	3.55	-68.81
CC1C[N@@H+](C)CC(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)O1	REAL300029754324	1	53	0.0	-77.71	402.72	3.94	-73.77
O=C(CC[NH+]1CCC(O)CC1)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029754333	0	56	0.0	-81.49	415.08	2.29	-79.20
CCC[N@@H+]1CCCCC1C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029754335	0	58	0.0	-64.38	416.05	5.55	-58.83
CCC[N@H+]1CCCCC1C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029754335	1	58	0.0	-65.63	425.62	5.73	-59.90
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029754414	0	52	0.0	-76.31	390.51	4.94	-71.37
CC(CC[NH+](C)C)C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029754422	0	54	0.0	-69.80	404.46	4.61	-65.19
C[N@H+](CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029754443	0	56	0.0	-65.27	414.21	2.08	-63.19
C[N@@H+](CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029754443	1	56	0.0	-76.57	411.40	2.44	-74.13
C[NH+]1CCN(CC(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029754455	1	54	0.0	-75.58	399.51	2.76	-72.82
CC[NH+]1CCN(CC(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029754464	0	57	0.0	-74.48	417.25	3.45	-71.03
NC(=[NH2+])SCC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029754490	0	43	0.0	-69.30	352.96	-0.39	-69.69
CC[N@@H+]1CCOCC1CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029754527	0	56	0.0	-81.14	408.64	3.70	-77.44
C[NH+](C)C1CCC(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029754543	0	58	0.0	-70.94	416.71	5.42	-65.52
C[NH+](C)CCC1(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029754544	0	55	0.0	-76.15	416.46	5.79	-70.36
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029754546	0	58	0.0	-61.81	416.56	5.44	-56.37
C[N@@H+]1CC=CCC1CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029754547	0	53	0.0	-61.49	390.29	4.77	-56.72
C[N@H+]1CC=CCC1CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029754547	1	53	0.0	-61.49	390.29	4.77	-56.72
C[C@@H](OCC[NH+](C)C)C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029754570	0	55	0.0	-72.97	416.14	4.99	-67.98
C[NH+]1C2CCC1CC(C(=O)NC1CCC3CC1CN3C(=O)C1=CC(=O)[N-]O1)C2	REAL300029754598	0	56	0.0	-68.69	386.91	5.15	-63.54
CC(C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300029754708	1	53	0.0	-68.04	399.80	4.59	-63.45
CCC1C[NH+](CC(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029754710	1	52	0.0	-68.96	396.61	4.57	-64.39
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1([NH+]2CCCC2)CCC1	REAL300029754712	0	56	0.0	-77.62	400.74	5.92	-71.70
C[N@H+]1CCC[C@H]1C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029754721	1	49	0.0	-77.39	361.09	3.80	-73.59
O=C(CC[N@@H+]1CCC(F)C1)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029754728	1	52	0.0	-72.72	398.30	4.57	-68.15
COC1C[N@@H+](C)C(C)(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029754736	1	56	0.0	-71.55	414.81	3.20	-68.35
O=C(CC[NH+]1CCCCCC1)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029754745	0	58	0.0	-69.70	418.44	5.35	-64.35
O=C(C[NH+]1CCCCC1)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029754747	0	52	0.0	-67.35	386.14	4.60	-62.75
CC1C(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029754757	0	52	0.0	-78.58	375.44	4.31	-74.27
CC1C(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029754757	1	52	0.0	-75.08	386.04	4.83	-70.25
C[N@@H+]1CCCCC1CCC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029754759	0	58	0.0	-68.86	425.16	5.66	-63.20
C[N@H+]1CCCCC1CCC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029754759	1	58	0.0	-74.80	421.75	6.15	-68.65
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1CC[N@@H+]2CCOCC12	REAL300029754789	0	54	0.0	-74.39	396.00	3.56	-70.83
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1CC[N@H+]2CCOCC12	REAL300029754789	1	54	0.0	-68.40	399.54	3.07	-65.33
CC1=[NH+]C=C2C=CC(C(=O)NC3CCC4CC3CN4C(=O)C3=CC(=O)[N-]O3)=CN21	REAL300029754794	0	50	0.0	-65.67	395.72	6.04	-59.63
CN1CCOCC1CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029754811	0	53	0.0	-68.35	387.21	2.42	-65.93
C[N@@H+]1CCOCC1CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029754811	1	53	0.0	-68.36	387.27	2.43	-65.93
C[N@H+]1CCOCC1CC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029754811	1	53	0.0	-68.35	387.21	2.42	-65.93
CC1=C(C)[NH+]=C(CCC(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)N1	REAL300029754819	1	53	0.0	-63.73	414.66	4.01	-59.72
C[N@@H+]1CCCC1C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029754991	0	49	0.0	-64.74	368.88	3.62	-61.12
C[N@H+]1CCCC1C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029754991	1	49	0.0	-67.40	365.64	4.24	-63.16
CC1=[NH+]C=CN1CCCC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029755177	1	53	0.0	-65.50	418.09	5.83	-59.67
C[NH+](C)CC1=CC=C(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300029755182	0	55	0.0	-73.85	419.10	5.89	-67.96
O=C(CC[NH+]1CCOCC1)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029755183	1	53	0.0	-71.88	402.36	2.93	-68.95
O=C(NC1CCC2CC1CN2C(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC(=O)[N-]O1	REAL300029755209	1	47	0.0	-72.23	381.67	6.30	-65.93
C[NH+](C)C1CCCC(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029755261	0	58	0.0	-68.53	416.05	5.52	-63.01
C[N@@H+]1CCC(CC(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029755264	0	52	0.0	-69.34	393.64	4.50	-64.84
C[N@H+]1CCC(CC(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029755264	1	52	0.0	-72.11	389.46	5.03	-67.08
CCC(C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029755279	0	51	0.0	-64.44	375.15	3.87	-60.57
C[NH+](C)CCCCC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029755338	0	54	0.0	-70.35	412.33	5.05	-65.30
CCC[N@H+](C)CCC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029755358	0	54	0.0	-69.78	408.75	4.90	-64.88
CCC[N@@H+](C)CCC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029755358	1	54	0.0	-69.54	408.72	4.88	-64.66
CCC[N@H+](C)CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029755362	0	51	0.0	-70.37	382.55	4.81	-65.56
CCC[N@@H+](C)CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029755362	1	51	0.0	-70.43	382.56	4.81	-65.62
O=C(NC1CCC2CC1CN2C(=O)C12CC[N@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300029755380	0	53	0.0	-72.01	376.46	4.24	-67.77
O=C(NC1CCC2CC1CN2C(=O)C12CC[N@@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300029755380	1	53	0.0	-76.21	375.35	4.17	-72.04
CCCCCC[N@H+](C)CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029755409	0	60	0.0	-68.76	450.65	6.65	-62.11
CCCCCC[N@@H+](C)CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029755409	1	60	0.0	-68.83	450.64	6.65	-62.18
CC1CC[NH+](CC(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029755444	0	55	0.0	-70.62	406.00	5.87	-64.75
C[NH+]1CCC(OCC(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029755466	0	56	0.0	-73.42	427.07	5.06	-68.36
O=C(NC1CCC2CC1CN2C(=O)C1CC2CCCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300029755504	0	56	0.0	-64.50	408.99	5.41	-59.09
O=C(NC1CCC2CC1CN2C(=O)C1CC2CCCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300029755504	1	56	0.0	-67.94	407.13	5.94	-62.00
C[NH+](C)CC1(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029755514	0	52	0.0	-72.53	393.40	4.39	-68.14
CC1=[NH+]C=C2CCC(C(=O)N3CC4CC3CCC4NC(=O)C3=CC(=O)[N-]O3)CN21	REAL300029755515	1	54	0.0	-67.20	411.03	5.94	-61.26
CC(C)[NH+]1CCC(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029755525	0	58	0.0	-69.78	424.99	5.60	-64.18
CC[N@H+](C)CCC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029755547	0	51	0.0	-69.08	387.25	4.15	-64.93
CC[N@@H+](C)CCC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029755547	1	51	0.0	-71.98	383.51	4.63	-67.35
O=C(NC1CCC2CC1CN2C(=O)C1C[NH+]2CCC1CC2)C1=CC(=O)[N-]O1	REAL300029755577	0	53	0.0	-75.93	383.75	4.42	-71.51
C[NH+]1CCC(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029755645	0	52	0.0	-74.06	385.24	4.86	-69.20
CC[NH+](CC)CC(F)C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029755733	0	54	0.0	-66.47	402.90	4.46	-62.01
CC(C)C[N@@H+]1CCC(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029755760	0	58	0.0	-66.91	425.91	5.65	-61.26
CC(C)C[N@H+]1CCC(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029755760	1	58	0.0	-66.22	427.22	5.69	-60.53
CCC(C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300029755785	0	57	0.0	-65.43	408.04	5.31	-60.12
CC1CCC[N@@H+]1CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029755801	0	52	0.0	-67.39	388.30	5.07	-62.32
CC1CCC[N@H+]1CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029755801	1	52	0.0	-64.50	392.11	4.66	-59.84
CC(C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300029755862	0	58	0.0	-64.66	414.50	5.20	-59.46
CC(C)[N@@H+]1CCCC1C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029755881	0	55	0.0	-64.83	400.18	5.30	-59.53
CC(C)[N@H+]1CCCC1C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029755881	1	55	0.0	-65.25	396.47	5.27	-59.98
CC(C)[N@@H+]1CCCC1CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029755886	0	58	0.0	-63.54	413.80	5.53	-58.01
CC(C)[N@H+]1CCCC1CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029755886	1	58	0.0	-68.53	423.46	6.02	-62.51
CC1CC[N@H+](CC(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029755916	0	52	0.0	-66.87	393.03	4.61	-62.26
CC1CC[N@@H+](CC(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029755916	1	52	0.0	-69.24	389.02	5.07	-64.17
CC1=[NH+]C=C2CC(C(=O)N3CC4CC3CCC4NC(=O)C3=CC(=O)[N-]O3)CCN21	REAL300029755917	1	54	0.0	-67.66	412.52	6.05	-61.61
CC1(C)CC[N@H+](CC(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029755920	0	55	0.0	-66.64	411.98	5.15	-61.49
CC1(C)CC[N@@H+](CC(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029755920	1	55	0.0	-66.55	411.91	5.13	-61.42
C[N@H+](CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029755921	0	57	0.0	-66.71	417.06	5.45	-61.26
C[N@@H+](CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029755921	1	57	0.0	-69.82	413.38	5.93	-63.89
CC[C@@H](C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029755928	0	51	0.0	-64.84	375.79	3.91	-60.93
CN(CCC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1)C1=CC=[NH+]C=C1	REAL300029756043	0	54	0.0	-67.29	421.89	4.59	-62.70
CC1=[NH+]C=CN1CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029756121	1	47	0.0	-64.22	376.33	4.49	-59.73
CC(C[NH+]1CCOCC1)C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029756123	1	56	0.0	-72.03	419.00	3.48	-68.55
O=C(CCC[NH+]1CCCCC1)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029756137	0	58	0.0	-68.47	432.59	6.17	-62.30
C[NH+](C)CC1=CC(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)=NO1	REAL300029756150	1	51	0.0	-77.09	398.61	4.50	-72.59
CC1=C(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300029756151	0	50	0.0	-70.78	398.15	6.67	-64.11
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029756184	1	53	0.0	-63.01	412.67	5.63	-57.38
O=C(NC1CCC2CC1CN2C(=O)C1CCCC2CCC[N@@H+]21)C1=CC(=O)[N-]O1	REAL300029756217	0	56	0.0	-67.98	395.69	5.64	-62.34
O=C(NC1CCC2CC1CN2C(=O)C1CCCC2CCC[N@H+]21)C1=CC(=O)[N-]O1	REAL300029756217	1	56	0.0	-64.00	406.30	5.98	-58.02
CC[N@@H+]1CCOC(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029756236	1	53	0.0	-70.06	386.82	4.16	-65.90
CC[N@H+]1CCOC(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029756236	1	53	0.0	-76.67	397.18	3.80	-72.87
O=C(NC1CCC2CC1CN2C(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC(=O)[N-]O1	REAL300029756276	0	47	0.0	-72.98	381.51	6.28	-66.70
CC1=C[NH+]=CN1CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029756281	1	47	0.0	-69.72	373.09	5.73	-63.99
C[C@@H]1[C@H](C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029756295	0	52	0.0	-70.84	383.34	4.15	-66.69
C[C@@H]1[C@H](C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029756295	1	52	0.0	-73.03	382.66	4.51	-68.52
CC[C@@H]1[C@@H](C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029756299	0	55	0.0	-72.09	395.71	4.89	-67.20
CC[C@@H]1[C@@H](C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029756299	1	55	0.0	-64.97	401.64	4.84	-60.13
CC1CCC(C)[NH+]1CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029756309	0	55	0.0	-63.15	404.21	4.79	-58.36
O=C(CCC[NH+]1CCCC1)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029756315	0	55	0.0	-68.33	416.77	5.47	-62.86
C[NH+](C)CC1=CC=CC(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029756316	0	55	0.0	-70.92	419.35	5.88	-65.04
C#CC[NH+]1CCC(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029756321	0	54	0.0	-74.47	415.85	5.61	-68.86
O=C(CC[NH+]1CCCCC1)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029756322	0	55	0.0	-68.40	411.13	5.35	-63.05
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029756333	1	54	0.0	-68.80	414.91	7.46	-61.34
C[NH+](C)C1(CC(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029756360	0	58	0.0	-73.02	407.25	5.83	-67.19
C[N@H+](CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029756494	0	52	0.0	-67.99	389.42	5.38	-62.61
C[N@@H+](CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029756494	1	52	0.0	-68.36	389.56	5.39	-62.97
CC(C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300029756512	0	58	0.0	-61.28	414.09	5.08	-56.20
O=C(CCCC[NH+]1CCCC1)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029756525	0	58	0.0	-68.87	438.48	6.25	-62.62
C[N@H+](CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029756527	1	55	0.0	-74.70	419.98	6.99	-67.71
C[N@@H+](CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029756527	1	55	0.0	-71.57	423.62	6.49	-65.08
C[NH+]1CCC(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029756538	0	52	0.0	-74.06	385.24	4.86	-69.20
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029756573	0	49	0.0	-69.52	362.28	3.87	-65.65
C[N@H+]1CCC[C@@H]1C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029756573	1	49	0.0	-66.96	362.17	4.11	-62.85
C[N@@H+]1CCCC1CCC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029756599	0	55	0.0	-73.06	411.09	5.90	-67.16
C[N@H+]1CCCC1CCC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029756599	1	55	0.0	-68.31	408.97	4.93	-63.38
O=C(NC1CCC2CC1CN2C(=O)C1CCC2CCCC[N@@H+]21)C1=CC(=O)[N-]O1	REAL300029756613	0	56	0.0	-62.17	406.53	5.36	-56.81
O=C(NC1CCC2CC1CN2C(=O)C1CCC2CCCC[N@H+]21)C1=CC(=O)[N-]O1	REAL300029756613	1	56	0.0	-64.62	406.13	6.08	-58.54
CCC[N@@H+]1CCCC(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029756673	0	58	0.0	-67.74	418.10	6.25	-61.49
CCC[N@H+]1CCCC(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029756673	1	58	0.0	-63.92	416.31	6.40	-57.52
CC(C)[N@@H+]1CCOC(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029756686	1	56	0.0	-70.81	406.64	4.14	-66.67
CC(C)[N@H+]1CCOC(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029756686	1	56	0.0	-70.79	413.87	4.30	-66.49
O=C(C[NH+]1CCC(CO)CC1)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029756743	0	56	0.0	-71.86	416.83	2.55	-69.31
CC1C(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029756786	0	52	0.0	-70.86	383.32	4.14	-66.72
CC1C(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029756786	1	52	0.0	-69.22	384.10	4.70	-64.52
C[N@@H+]1CCCCC1CCC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029756788	0	58	0.0	-68.04	428.03	5.83	-62.21
C[N@H+]1CCCCC1CCC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029756788	1	58	0.0	-69.40	424.89	6.34	-63.06
NC1=[NH+]C2=C(C=C1C(=O)N1CC3CC1CCC3NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029756814	1	52	0.0	-60.63	400.39	3.62	-57.01
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029756863	0	55	0.0	-69.33	381.15	3.89	-65.44
CC(C)(C)[N@H+]1CCC1C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029756863	1	55	0.0	-64.63	408.82	4.63	-60.00
C[C@@H](C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029756881	0	48	0.0	-64.64	362.07	3.18	-61.46
C[NH+](C)CC1=CC(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)=CC=N1	REAL300029756895	1	54	0.0	-70.28	415.13	4.08	-66.20
C=CCC(C)(C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029756899	0	55	0.0	-61.82	392.29	4.47	-57.35
O=C(CC[NH+]1CCCC1)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029756924	0	52	0.0	-68.80	393.89	4.55	-64.25
C[N@H+](CCO)CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029756933	1	49	0.0	-71.10	371.41	0.83	-70.27
C[N@@H+](CCO)CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029756933	1	49	0.0	-67.25	374.76	0.34	-66.91
O=C(NC1CCC2CC1CN2C(=O)C1C[N@@H+]2CCN1CCC2)C1=CC(=O)[N-]O1	REAL300029756966	0	55	0.0	-76.70	389.26	1.83	-74.87
O=C(NC1CCC2CC1CN2C(=O)C1C[N@H+]2CCN1CCC2)C1=CC(=O)[N-]O1	REAL300029756966	1	55	0.0	-76.20	393.94	2.09	-74.11
CC(C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300029756985	1	53	0.0	-70.85	398.69	5.23	-65.62
C[N@H+]1CC=C(CC(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029757018	0	53	0.0	-68.12	406.42	5.22	-62.90
C[N@@H+]1CC=C(CC(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029757018	1	53	0.0	-66.89	406.42	5.22	-61.67
C[S+](C)CCC(O)C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757030	0	51	0.0	-66.18	407.37	2.33	-63.85
CN1CC[N@H+](C)CC(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029757059	0	57	0.0	-71.03	416.66	3.36	-67.67
CN1CC[N@@H+](C)CC(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029757059	1	57	0.0	-68.28	412.38	2.88	-65.40
CC(C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300029757060	0	56	0.0	-69.34	413.08	2.24	-67.10
CC(C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1)[N@H+]1CCCC(O)C1	REAL300029757060	1	56	0.0	-68.84	412.43	2.20	-66.64
C[N@@H+]1CCCC(O)(CC(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029757091	0	56	0.0	-63.21	407.86	3.04	-60.17
C[N@H+]1CCCC(O)(CC(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029757091	1	56	0.0	-67.09	404.73	3.22	-63.87
CC1C[NH+](CC(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029757095	1	49	0.0	-70.48	374.58	4.48	-66.00
CC[N@@H+]1CCCC(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029757100	0	55	0.0	-67.87	408.35	5.03	-62.84
CC[N@H+]1CCCC(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029757100	1	55	0.0	-61.58	400.81	5.17	-56.41
NC1=[NH+]C=CC=C1CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757106	0	48	0.0	-66.41	377.57	3.22	-63.19
O=C(NC1CCC2CC1CN2C(=O)C1CCC[N@@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300029757117	0	53	0.0	-62.41	400.40	5.20	-57.21
O=C(NC1CCC2CC1CN2C(=O)C1CCC[N@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300029757117	1	53	0.0	-66.84	392.37	5.17	-61.67
O=C(C=CC[NH+]1CCCC1)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757156	0	53	0.0	-70.98	407.71	5.24	-65.74
O=C(NC1CCC2CC1CN2C(=O)C1CC[NH+](C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300029757177	0	56	0.0	-71.36	414.55	6.26	-65.10
CC[N@H+](C)CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757213	0	48	0.0	-70.07	361.06	4.06	-66.01
O=C(CN1CC2C=CC1C2)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757265	0	51	0.0	-63.50	386.06	4.76	-58.74
O=C(C[N@@H+]1CC2C=CC1C2)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757265	1	51	0.0	-68.41	382.46	5.33	-63.08
O=C(C[N@H+]1CC2C=CC1C2)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757265	1	51	0.0	-68.41	382.46	5.33	-63.08
CC1=CC=C(NCCC(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)N=C1	REAL300029757285	0	54	0.0	-64.02	425.99	4.32	-59.70
CC1=CC=C(NCCC(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)[NH+]=C1	REAL300029757285	1	54	0.0	-64.02	425.99	4.32	-59.70
CC(OCC[NH+](C)C)C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757391	0	55	0.0	-68.40	418.10	4.49	-63.91
C[NH+](C)CCOCCC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757401	0	55	0.0	-68.94	423.79	3.70	-65.24
COCCN(C)CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757403	0	52	0.0	-70.19	393.72	3.24	-66.95
COCC[N@H+](C)CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757403	1	52	0.0	-68.83	397.25	2.73	-66.10
COCC[N@@H+](C)CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757403	1	52	0.0	-68.83	397.25	2.73	-66.10
CC(CCC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029757409	0	54	0.0	-67.64	404.32	4.66	-62.98
CC[N@H+](CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029757433	0	52	0.0	-64.52	393.46	4.87	-59.65
CC1C[N@@H+]2CCN1C(C(=O)N1CC3CC1CCC3NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029757443	0	55	0.0	-77.01	390.25	2.05	-74.96
CC1=NC(N)=CC=C1C=CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757472	0	52	0.0	-69.24	407.65	4.05	-65.19
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757472	1	52	0.0	-69.24	407.65	4.05	-65.19
O=C(C[N@@H+]1CC2CCC1C2)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757478	0	53	0.0	-68.18	390.02	5.48	-62.70
O=C(C[N@H+]1CC2CCC1C2)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757478	1	53	0.0	-68.18	390.02	5.48	-62.70
CC(C[NH+](C)C)C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757497	0	51	0.0	-71.50	386.04	4.03	-67.47
CCN1CCC1C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757540	0	49	0.0	-66.54	379.03	3.90	-62.64
CC[N@@H+]1CCC1C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757540	1	49	0.0	-66.83	378.89	3.88	-62.95
CC[N@H+]1CCC1C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757540	1	49	0.0	-66.83	378.89	3.88	-62.95
CC(C)[N@@H+]1CCCC(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029757550	0	58	0.0	-64.47	425.62	5.59	-58.88
CC(C)[N@H+]1CCCC(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029757550	1	58	0.0	-64.47	425.62	5.59	-58.88
CCC(C)(C)[NH2+]C(C)C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757561	0	57	0.0	-66.89	411.37	3.57	-63.32
C#CCN1CCCCC1C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757602	0	54	0.0	-68.23	404.99	5.30	-62.93
C#CC[N@H+]1CCCCC1C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757602	1	54	0.0	-66.96	396.76	5.65	-61.31
C#CC[N@@H+]1CCCCC1C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757602	1	54	0.0	-66.96	396.76	5.65	-61.31
CNC1=NC(C)=CC=C1C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757603	0	51	0.0	-63.60	391.92	3.98	-59.62
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757603	1	51	0.0	-63.60	391.92	3.98	-59.62
CCCC(C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029757613	0	54	0.0	-65.14	397.39	4.65	-60.49
CC(CC[NH+](C)C)C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757635	0	54	0.0	-67.90	405.93	4.60	-63.30
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757731	0	55	0.0	-66.41	397.12	4.89	-61.52
C[N@H+]1CC(C)(C)CC1C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757731	1	55	0.0	-66.41	397.12	4.89	-61.52
C[NH+](C)CCCCCC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757736	0	57	0.0	-70.10	433.83	5.84	-64.26
O=C(CC[NH+]1CCC(O)CC1)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757740	0	56	0.0	-72.57	421.76	1.97	-70.60
CCC[N@@H+]1CCCCC1C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757743	0	58	0.0	-66.21	410.93	5.83	-60.38
CCC[N@H+]1CCCCC1C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757743	1	58	0.0	-66.21	410.93	5.83	-60.38
CN1CCN(CC(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029757752	0	54	0.0	-70.43	402.44	2.88	-67.55
C[NH+]1CCN(CC(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029757752	1	54	0.0	-70.43	402.44	2.88	-67.55
CC1CN(C)CC(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)O1	REAL300029757843	0	53	0.0	-73.71	393.53	3.49	-70.22
CC1C[N@H+](C)CC(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)O1	REAL300029757843	1	53	0.0	-74.88	389.27	4.22	-70.66
CC1C[N@@H+](C)CC(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)O1	REAL300029757843	1	53	0.0	-74.88	389.27	4.22	-70.66
CCC1CCC[N@H+](CC(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029757873	0	58	0.0	-70.51	424.49	6.50	-64.01
CCC1CCC[N@@H+](CC(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029757873	1	58	0.0	-67.22	428.11	6.04	-61.18
C[NH+](C)CC1=CC=C(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)N1	REAL300029757881	0	53	0.0	-78.58	404.74	4.69	-73.89
O=C(C[NH+]1CC2CC2C1)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757895	0	50	0.0	-70.22	378.66	5.28	-64.94
O=C(CC1([NH+]2CCCC2)CC1)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757908	0	56	0.0	-64.48	412.18	5.67	-58.81
C[N@@H+]1CCCCC1C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757940	0	52	0.0	-70.59	375.97	4.64	-65.95
C[N@H+]1CCCCC1C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757940	1	52	0.0	-70.73	375.56	4.61	-66.12
C[N@@H+]1CCC(=CC(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029758040	0	50	0.0	-71.15	385.13	4.41	-66.74
C[N@H+]1CCC(=CC(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029758040	1	50	0.0	-73.87	380.48	4.96	-68.91
O=C(CNC1=CC=[NH+]C=C1)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758045	0	48	0.0	-67.37	382.87	2.18	-65.19
CC[NH+]1CCN(CC(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029758094	0	57	0.0	-69.20	419.68	3.52	-65.68
O=C(C=C1C[NH+]2CCC1CC2)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758095	0	54	0.0	-66.04	402.63	5.29	-60.75
C[N@H+](CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029758134	0	56	0.0	-65.79	413.82	2.78	-63.01
C[N@@H+](CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029758134	1	56	0.0	-66.45	417.98	2.12	-64.33
C[N@@H+]1CCC[C@H]1C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758151	0	49	0.0	-63.94	368.75	3.70	-60.24
C[N@H+]1CCC[C@H]1C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758151	1	49	0.0	-68.11	365.62	3.38	-64.73
CCN1CCOCC1CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758179	0	56	0.0	-71.53	407.60	3.70	-67.83
CC[N@@H+]1CCOCC1CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758179	1	56	0.0	-70.06	414.76	3.41	-66.65
CC[N@H+]1CCOCC1CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758179	1	56	0.0	-70.06	414.76	3.41	-66.65
NC1=NC2=CC(C(=O)N3CC4CC3CCC4NC(=O)C3=CC(=O)[N-]O3)=CC=C2N1	REAL300029758255	0	49	0.0	-70.46	385.44	4.27	-66.19
NC1=[NH+]C2=CC(C(=O)N3CC4CC3CCC4NC(=O)C3=CC(=O)[N-]O3)=CC=C2N1	REAL300029758255	1	49	0.0	-70.46	385.44	4.27	-66.19
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029758288	0	52	0.0	-71.84	392.95	5.11	-66.73
C[NH+](C)C1CCC(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029758302	0	58	0.0	-63.62	416.05	5.54	-58.08
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029758304	0	58	0.0	-63.62	416.23	5.54	-58.08
C[N@@H+]1CC=CCC1CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758305	0	53	0.0	-69.63	398.20	4.98	-64.65
C[N@H+]1CC=CCC1CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758305	1	53	0.0	-69.63	398.20	4.98	-64.65
CC1=CC(C=CC(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)=CN=C1N	REAL300029758352	0	52	0.0	-68.40	411.59	3.85	-64.55
CC1=CC(C=CC(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)=C[NH+]=C1N	REAL300029758352	1	52	0.0	-68.40	411.59	3.85	-64.55
C[NH+](C)CCOCC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758364	0	52	0.0	-67.36	403.02	4.04	-63.32
CCCCC[N@H+](C)CCC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758370	0	60	0.0	-70.48	451.71	6.44	-64.04
CCCCC[N@@H+](C)CCC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758370	1	60	0.0	-70.48	451.71	6.44	-64.04
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)O1	REAL300029758380	0	56	0.0	-71.44	418.10	5.16	-66.28
[NH2+]=C1SC=CN1CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758398	0	45	0.0	-63.01	373.99	3.08	-59.93
C[C@@H](OCC[NH+](C)C)C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758460	0	55	0.0	-69.14	414.34	4.96	-64.18
O=C(CC[NH+]1CCCCCC1)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758494	0	58	0.0	-70.50	421.17	5.55	-64.95
O=C(C[NH+]1CCCCC1)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758498	0	52	0.0	-66.76	388.77	4.75	-62.01
C[N@@H+]1CCCC(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029758500	0	52	0.0	-64.23	377.01	5.01	-59.22
C[N@H+]1CCCC(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029758500	1	52	0.0	-62.42	380.79	4.52	-57.90
O=C(C[NH+]1CCC(CO)CC1)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758501	0	56	0.0	-71.86	416.83	2.55	-69.31
O=C(C[NH+]1CCCCCC1)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758504	0	55	0.0	-67.36	397.97	4.95	-62.41
CN1C=C[N+](CC(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029758509	0	47	0.0	-65.10	378.39	6.42	-58.68
C[NH+](C)CC1=CC=C(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)O1	REAL300029758524	1	52	0.0	-76.24	405.09	5.19	-71.05
C[NH+](C)CC1=CC=C(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C=N1	REAL300029758529	0	54	0.0	-71.59	415.11	4.41	-67.18
O=C(C[NH+]1CCC(O)CC1)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758540	1	53	0.0	-71.16	399.96	1.42	-69.74
C[N@@H+](CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029758545	1	49	0.0	-65.44	376.53	4.32	-61.12
CC(C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300029758547	1	57	0.0	-70.97	418.58	3.26	-67.71
O=C(CC[N@@H+]1CCC(F)C1)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758550	1	52	0.0	-73.40	401.45	4.64	-68.76
CC(CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029758574	0	54	0.0	-69.24	404.34	4.93	-64.31
O=C(NC1CCC2CC1CN2C(=O)C1CC[N@@H+]2CCOCC12)C1=CC(=O)[N-]O1	REAL300029758589	0	54	0.0	-68.98	396.87	3.47	-65.51
O=C(NC1CCC2CC1CN2C(=O)C1CC[N@H+]2CCOCC12)C1=CC(=O)[N-]O1	REAL300029758589	1	54	0.0	-67.45	395.42	3.65	-63.80
CC1=[NH+]C=C2C=CC(C(=O)N3CC4CC3CCC4NC(=O)C3=CC(=O)[N-]O3)=CN21	REAL300029758594	0	50	0.0	-66.85	403.13	6.06	-60.79
CN1CCOCC1CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758611	0	53	0.0	-67.01	390.14	2.58	-64.43
C[N@@H+]1CCOCC1CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758611	1	53	0.0	-67.78	386.44	3.09	-64.69
C[N@H+]1CCOCC1CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758611	1	53	0.0	-67.01	390.14	2.58	-64.43
CC[NH+]1CCN(CC(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029758617	0	57	0.0	-69.20	419.68	3.52	-65.68
CC1=CC(N)=[NH+]C=C1C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758660	1	48	0.0	-63.71	375.41	2.11	-61.60
NC1=CC=C(CCC(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C=[NH+]1	REAL300029758663	0	51	0.0	-69.15	402.43	3.92	-65.23
CC1(O)CC[N@@H+](CC(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029758697	1	53	0.0	-66.50	402.89	1.30	-65.20
C[NH+]1CC(CC(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029758730	0	49	0.0	-69.81	378.54	3.74	-66.07
O=C(NC1CCC2CC1CN2C(=O)C1CC[N@@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300029758735	0	56	0.0	-67.88	408.15	5.79	-62.09
O=C(NC1CCC2CC1CN2C(=O)C1CC[N@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300029758735	1	56	0.0	-67.30	417.71	5.68	-61.62
C[NH+](C)CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758743	0	45	0.0	-68.22	347.15	2.91	-65.31
C[N@H+](CCO)CCC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758770	0	52	0.0	-68.34	397.57	0.91	-67.43
C[N@@H+](CCO)CCC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758770	1	52	0.0	-69.06	397.56	0.92	-68.14
C[C@@H](C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029758771	0	48	0.0	-64.64	362.07	3.18	-61.46
C[N@@H+]1CCCCC1CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758789	0	55	0.0	-60.15	398.74	4.97	-55.18
C[N@H+]1CCCCC1CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758789	1	55	0.0	-63.59	398.65	4.97	-58.62
CC1=C2C=C(C(=O)N3CC4CC3CCC4NC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029758808	1	50	0.0	-69.53	403.58	6.86	-62.67
CC(C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300029758809	0	52	0.0	-64.80	386.38	4.07	-60.73
CC1CCN1CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758812	0	49	0.0	-65.86	378.53	3.94	-61.92
CC1CC[N@@H+]1CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758812	1	49	0.0	-65.32	373.05	3.72	-61.60
CC1CC[N@H+]1CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758812	1	49	0.0	-65.86	378.53	3.94	-61.92
C[NH+](C)CC=CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758823	0	49	0.0	-72.74	383.62	4.12	-68.62
CC1(C)C[NH+](CC(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029758835	1	52	0.0	-70.29	394.08	5.02	-65.27
CC1=C(C)[NH+]=C(CCC(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)N1	REAL300029758853	1	53	0.0	-62.98	417.53	4.17	-58.81
CC1=C2C=C(C(=O)N3CC4CC3CCC4NC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029758863	1	50	0.0	-69.53	403.58	6.86	-62.67
C[NH+](C)CCSCC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758872	0	52	0.0	-72.89	414.05	4.87	-68.02
O=C(C[N@H+]1CCCC1CO)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758896	0	53	0.0	-65.94	401.81	1.44	-64.50
O=C(C[N@@H+]1CCCC1CO)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758896	1	53	0.0	-69.13	396.75	2.00	-67.13
CC[NH+](CC)CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758900	0	51	0.0	-65.80	378.78	3.97	-61.83
C[N@H+](CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029758911	0	53	0.0	-75.65	402.67	5.64	-70.01
C[N@@H+](CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029758911	1	53	0.0	-76.39	402.75	5.63	-70.76
O=C(C[NH+]1CCC1)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758913	1	46	0.0	-70.53	353.59	3.88	-66.65
CC[NH+](CC)CCC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758952	0	54	0.0	-68.21	400.57	4.56	-63.65
C[NH+](C)CC1=CNC(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029759007	0	53	0.0	-70.35	407.94	4.27	-66.08
CC(C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300029759022	0	56	0.0	-67.47	409.37	1.47	-66.00
O=C(NC1CCC2CC1CN2C(=O)C1CC2COCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300029759027	0	54	0.0	-72.17	398.63	3.56	-68.61
O=C(NC1CCC2CC1CN2C(=O)C1CC2COCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300029759027	1	54	0.0	-66.73	401.76	3.06	-63.67
CC(C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300029759040	1	49	0.0	-68.93	371.86	4.28	-64.65
CCC(CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029759047	0	57	0.0	-73.97	421.80	5.54	-68.43
NC1=CC=C(C=CC(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C=[NH+]1	REAL300029759052	0	49	0.0	-69.61	393.79	3.10	-66.51
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029759104	0	52	0.0	-69.42	375.62	4.63	-64.79
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029759104	1	52	0.0	-67.33	383.46	4.89	-62.44
CC1CN2CC[N@@H+]1CC2C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029759117	0	55	0.0	-73.21	391.96	2.02	-71.19
CC1CN2CC[N@H+]1CC2C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029759117	1	55	0.0	-73.81	395.78	1.54	-72.27
C[NH+](C)CC(O)CC(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029759137	0	52	0.0	-72.38	399.75	1.98	-70.40
C[NH+]1C2CCC1CC(C(=O)N1CC3CC1CCC3NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029759140	0	56	0.0	-67.92	380.47	4.67	-63.25
C=CCC(C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029759172	0	52	0.0	-64.76	389.89	4.40	-60.36
O=C(NC1CCC2CC1CN2C(=O)C1CC2CCCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300029759179	0	56	0.0	-64.50	408.99	5.41	-59.09
O=C(NC1CCC2CC1CN2C(=O)C1CC2CCCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300029759179	1	56	0.0	-67.94	407.13	5.94	-62.00
C[NH+]1CCC(O)(CC(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029759188	0	56	0.0	-65.08	414.64	3.35	-61.73
CC1=C2C=C(C(=O)NC3CCC4CC3CN4C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029759267	1	50	0.0	-79.07	392.79	7.31	-71.76
C[NH+](C)CCSCC(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029759276	0	52	0.0	-73.64	411.32	4.67	-68.97
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1CC2COCC[N@@H+]2C1	REAL300029759284	0	54	0.0	-76.84	398.92	3.60	-73.24
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1CC2COCC[N@H+]2C1	REAL300029759284	1	54	0.0	-69.14	402.70	3.09	-66.05
C[N@@H+]1CCCC1C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029759447	0	51	0.0	-61.31	377.88	3.63	-57.68
C[N@H+]1CCCC1C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029759447	1	51	0.0	-60.89	383.14	4.00	-56.89
C[N@@H+]1CCOC(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029759471	1	52	0.0	-68.07	394.83	3.43	-64.64
C[N@H+]1CCOC(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029759471	1	52	0.0	-69.40	394.81	3.43	-65.97
CC(C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300029759632	0	60	0.0	-59.87	426.37	5.39	-54.48
CC(C)[N@@H+]1CCCCC1C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029759634	0	60	0.0	-57.88	430.97	5.56	-52.32
CC(C)[N@H+]1CCCCC1C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029759634	1	60	0.0	-57.96	425.07	5.69	-52.27
CC(C)[N@@H+]1CCCC1C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029759655	0	57	0.0	-59.04	410.61	5.40	-53.64
CC(C)[N@H+]1CCCC1C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029759655	1	57	0.0	-60.03	410.33	5.37	-54.66
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@@H+]2C1	REAL300029759671	0	58	0.0	-60.61	424.85	5.73	-54.88
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@H+]2C1	REAL300029759671	1	58	0.0	-61.40	424.88	5.66	-55.74
CC(C)C1=[NH+]C=CN1CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029759692	1	55	0.0	-59.52	423.03	5.70	-53.82
CC1=[NH+]C=CN1CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029759722	1	49	0.0	-60.93	386.77	4.58	-56.35
CC(C[NH+]1CCOCC1)C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029759723	0	58	0.0	-65.78	428.70	3.70	-62.08
O=C(CCC[NH+]1CCCCC1)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029759739	0	60	0.0	-65.53	442.44	6.17	-59.36
CC(C)(C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029759757	0	60	0.0	-57.24	427.11	6.10	-51.14
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+]2CCC1CC2	REAL300029759765	0	55	0.0	-64.57	399.06	4.94	-59.63
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC2CCC[N@@H+]21	REAL300029759806	0	58	0.0	-59.08	413.38	5.51	-53.57
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC2CCC[N@H+]21	REAL300029759806	1	58	0.0	-57.19	421.97	5.80	-51.39
C[C@@H]1[C@H](C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029759820	0	54	0.0	-64.34	395.03	4.09	-60.25
C[C@@H]1[C@H](C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029759820	1	54	0.0	-63.55	399.66	4.36	-59.19
CC[C@@H]1[C@@H](C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029759824	0	57	0.0	-65.12	414.86	4.79	-60.33
CC[C@@H]1[C@@H](C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029759824	1	57	0.0	-64.75	419.51	4.98	-59.77
CC[N@@H+]1CCOC(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029759834	1	55	0.0	-65.02	405.40	3.92	-61.10
CC[N@H+]1CCOC(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029759834	1	55	0.0	-64.85	405.90	4.07	-60.78
CC[NH+](CC)CC(F)C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029759875	0	56	0.0	-64.62	421.14	5.10	-59.52
CC1CCC(C)[NH+]1CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029759938	0	57	0.0	-59.38	414.51	4.99	-54.39
O=C(CCC[NH+]1CCCC1)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029759944	0	57	0.0	-65.67	425.61	5.40	-60.27
C#CC[NH+]1CCC(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029759949	0	56	0.0	-66.78	427.14	5.83	-60.95
O=C(CC[NH+]1CCCCC1)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029759950	0	57	0.0	-64.16	420.92	5.38	-58.78
CC[N@@H+]1CCCCC1C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029759956	0	57	0.0	-58.51	417.73	5.35	-53.16
CC[N@H+]1CCCCC1C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029759956	1	57	0.0	-58.45	417.51	5.35	-53.10
CC(C)C[N@@H+]1CCC(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029759970	0	60	0.0	-63.46	442.27	5.92	-57.54
CC(C)C[N@H+]1CCC(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029759970	1	60	0.0	-63.86	442.73	6.10	-57.76
C[NH+](C)C1(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300029759974	0	54	0.0	-61.11	391.55	4.21	-56.90
CC(C)[N@@H+]1CCCC1CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029759976	0	60	0.0	-57.35	427.19	5.54	-51.81
CC(C)[N@H+]1CCCC1CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029759976	1	60	0.0	-59.37	426.27	5.02	-54.35
CC(C)[C@@H](C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029759989	0	56	0.0	-62.52	405.81	5.23	-57.29
C[N@H+](CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029760030	0	54	0.0	-61.07	403.49	4.95	-56.12
C[N@@H+](CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029760030	1	54	0.0	-61.38	403.61	4.96	-56.42
CC(C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300029760089	0	60	0.0	-57.17	427.22	5.59	-51.58
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029760148	1	53	0.0	-60.31	404.08	4.74	-55.57
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029760148	1	53	0.0	-60.62	409.79	5.26	-55.36
C[N@@H+]1CCCC1CCC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029760154	0	57	0.0	-64.37	424.80	5.48	-58.89
C[N@H+]1CCCC1CCC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029760154	1	57	0.0	-65.44	418.63	4.98	-60.46
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[NH+](CCC1)C2	REAL300029760163	0	58	0.0	-66.86	414.70	5.17	-61.69
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC2CCCC[N@@H+]21	REAL300029760166	0	58	0.0	-59.22	418.24	5.44	-53.78
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC2CCCC[N@H+]21	REAL300029760166	1	58	0.0	-57.53	425.65	6.07	-51.46
O=C(CCCC[NH+]1CCCC1)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029760182	0	60	0.0	-66.47	448.72	6.29	-60.18
C[NH+]1CCC(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029760193	0	54	0.0	-66.98	401.96	4.64	-62.34
C[NH+](C)CC1=CC(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300029760228	1	53	0.0	-76.12	416.44	4.00	-72.12
CC1=C(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300029760229	0	52	0.0	-65.50	401.95	6.97	-58.53
C[N@@H+]1CCCCC1C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029760260	0	54	0.0	-59.94	399.82	4.60	-55.34
C[N@H+]1CCCCC1C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029760260	1	54	0.0	-61.76	389.84	4.41	-57.35
CC(C)C[N@@H+]1CCCC1C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029760282	0	60	0.0	-59.65	442.19	6.14	-53.51
CC(C)C[N@H+]1CCCC1C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029760282	1	60	0.0	-60.37	436.19	5.59	-54.78
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN2C=[NH+]C=C2C=C1	REAL300029760382	0	49	0.0	-66.45	387.49	6.47	-59.98
CC1=[NH+]C=CN1CCCC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029760390	1	55	0.0	-63.08	428.73	6.03	-57.05
O=C(CC[NH+]1CCOCC1)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029760395	1	55	0.0	-67.07	413.03	3.14	-63.93
CC1=C[NH+]=CN1CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029760425	1	49	0.0	-63.96	386.10	5.26	-58.70
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[NH+]1CCC2	REAL300029760464	0	55	0.0	-58.52	402.55	5.12	-53.40
C[NH+](C)C1CCCC(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029760488	0	60	0.0	-63.76	430.14	5.81	-57.95
C[N@@H+]1CCC(CC(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029760491	0	54	0.0	-67.30	403.85	4.57	-62.73
C[N@H+]1CCC(CC(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029760491	1	54	0.0	-67.18	403.79	4.72	-62.46
CN(C)C1=CC=[NH+]C=C1C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029760503	0	53	0.0	-64.49	408.20	3.79	-60.70
CCC(C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029760508	0	53	0.0	-61.31	388.22	4.12	-57.19
C[NH+](C)C1(CC(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029760520	0	60	0.0	-65.33	421.15	5.40	-59.93
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC2=C[NH+]=CN2C=C1	REAL300029760561	1	49	0.0	-67.85	387.76	6.49	-61.36
C[NH+](C)CCCCC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029760615	0	56	0.0	-67.83	422.75	5.10	-62.73
CC(C)C(C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029760635	0	56	0.0	-61.40	400.58	5.14	-56.26
CCC[N@H+](C)CCC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029760637	0	56	0.0	-65.42	418.97	4.92	-60.50
CCC[N@@H+](C)CCC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029760637	1	56	0.0	-65.39	418.98	4.93	-60.46
CCC[N@H+](C)CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029760642	0	53	0.0	-62.89	396.62	4.38	-58.51
CCC[N@@H+](C)CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029760642	1	53	0.0	-63.00	396.61	4.38	-58.62
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@H+](C1)CCC2	REAL300029760665	0	55	0.0	-65.65	400.18	4.33	-61.32
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@@H+](C1)CCC2	REAL300029760665	1	55	0.0	-64.95	398.80	4.47	-60.48
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029760701	0	51	0.0	-61.24	377.73	3.69	-57.55
C[N@H+]1CCC[C@@H]1C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029760701	1	51	0.0	-60.89	384.26	4.19	-56.70
CCCCCC[N@H+](C)CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029760758	0	62	0.0	-64.01	461.12	6.72	-57.29
CCCCCC[N@@H+](C)CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029760758	1	62	0.0	-64.06	461.11	6.72	-57.34
CC[NH+](CC)C(C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300029760762	0	62	0.0	-58.25	428.36	5.19	-53.06
CC[NH+](CC)CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029760771	0	53	0.0	-61.36	388.89	4.05	-57.31
CCC[N@@H+]1CCCC(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029760803	0	60	0.0	-59.72	434.81	6.20	-53.52
CCC[N@H+]1CCCC(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029760803	1	60	0.0	-59.71	435.31	6.36	-53.35
CC(C)[N@@H+]1CCOC(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029760818	0	58	0.0	-60.50	422.67	4.57	-55.93
CC(C)[N@H+]1CCOC(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029760818	1	58	0.0	-60.39	422.19	4.43	-55.96
CC1CC[NH+](CC(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029760847	0	57	0.0	-62.56	419.96	5.46	-57.10
C[NH+]1CCC(OCC(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029760873	0	58	0.0	-70.97	437.34	5.06	-65.91
C[NH+](C)CC1(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029760884	0	54	0.0	-61.65	409.39	4.83	-56.82
CC(C)[NH+]1CCC(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029760957	0	60	0.0	-63.65	432.58	5.60	-58.05
C[NH+]1CCC(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029760975	0	54	0.0	-66.98	401.96	4.64	-62.34
CC(C)[C@H](C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029760993	0	56	0.0	-61.35	403.58	5.33	-56.02
CCC(C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029761024	0	59	0.0	-57.86	423.24	5.39	-52.47
CC[N@H+](C)CCC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761080	0	53	0.0	-64.85	397.47	4.18	-60.67
CC[N@@H+](C)CCC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761080	1	53	0.0	-64.87	397.47	4.18	-60.69
CC1CCC[N@@H+]1CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761136	0	54	0.0	-59.95	403.42	4.62	-55.33
CC1CCC[N@H+]1CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761136	1	54	0.0	-60.18	402.50	4.74	-55.44
CC1CC[N@H+](CC(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029761138	0	54	0.0	-61.76	404.11	4.77	-56.99
CC1CC[N@@H+](CC(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029761138	1	54	0.0	-61.74	404.25	4.77	-56.97
CC1(C)CC[N@H+](CC(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029761142	0	57	0.0	-61.73	422.95	5.39	-56.34
CC1(C)CC[N@@H+](CC(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029761142	1	57	0.0	-61.75	422.28	5.21	-56.54
C[N@H+](CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029761143	0	59	0.0	-62.02	427.95	5.69	-56.33
C[N@@H+](CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029761143	1	59	0.0	-62.14	427.57	5.66	-56.48
CC[C@@H](C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029761151	0	53	0.0	-61.28	387.88	4.14	-57.14
C[NH+]1CCC(O)(CC(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029761308	0	58	0.0	-64.88	424.96	3.37	-61.51
C[NH+](C)CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761320	0	47	0.0	-63.77	357.40	2.97	-60.80
O=C(C[NH+]1CCC(CO)CC1)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761324	1	58	0.0	-64.25	431.60	2.30	-61.95
O=C(C[NH+]1CCCCCC1)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761325	0	57	0.0	-62.09	408.70	5.01	-57.08
CN1C=C[N+](CC(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029761329	0	49	0.0	-61.59	388.62	6.48	-55.11
C[N@@H+]1CCCC(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029761336	0	54	0.0	-64.99	402.53	4.73	-60.26
C[N@H+]1CCCC(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029761336	1	54	0.0	-61.08	395.67	4.79	-56.29
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@@H+]1C1CC1	REAL300029761341	0	55	0.0	-60.54	409.64	4.93	-55.61
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@H+]1C1CC1	REAL300029761341	1	55	0.0	-60.69	407.78	4.80	-55.89
CC(C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029761368	1	51	0.0	-61.23	385.93	4.20	-57.03
CCC(CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029761373	0	59	0.0	-67.22	429.09	5.63	-61.59
C[NH+](C)CC(C)(C)C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761380	0	56	0.0	-63.12	405.13	4.83	-58.29
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC(C1)C[N@@H+]2C1CC1	REAL300029761397	0	56	0.0	-64.47	412.61	5.66	-58.81
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC(C1)C[N@H+]2C1CC1	REAL300029761397	1	56	0.0	-58.32	413.67	6.15	-52.17
O=C(C[NH+]1CCC(O)CC1)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761405	1	55	0.0	-66.23	411.01	1.65	-64.58
C[N@H+](CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029761406	0	51	0.0	-60.83	386.79	4.37	-56.46
C[N@@H+](CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029761406	1	51	0.0	-60.93	386.78	4.38	-56.55
CC(C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300029761407	1	59	0.0	-67.02	431.05	2.94	-64.08
C[NH+]1CC(CC(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029761425	0	51	0.0	-65.62	388.83	3.80	-61.82
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+]1C1CCCC1	REAL300029761429	0	58	0.0	-61.09	423.43	5.48	-55.61
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+]1C1CCCC1	REAL300029761429	1	58	0.0	-61.03	423.33	5.58	-55.45
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761437	0	57	0.0	-59.76	403.73	4.27	-55.49
CC(C)(C)[N@H+]1CCC1C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761437	1	57	0.0	-59.70	404.41	4.10	-55.60
C[C@@H](C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029761448	0	50	0.0	-61.91	374.39	3.41	-58.50
CCC1CCC[N@H+](CC(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029761487	0	60	0.0	-62.42	438.39	6.08	-56.34
CCC1CCC[N@@H+](CC(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029761487	1	60	0.0	-62.44	438.38	6.09	-56.35
C[NH+](C)CC1=CC=C(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029761494	0	55	0.0	-67.53	423.89	4.39	-63.14
[NH2+]=C1SC=CN1CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761535	0	47	0.0	-59.66	384.47	3.15	-56.51
C[N@H+](CCO)CCC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761545	0	54	0.0	-64.89	407.83	0.97	-63.92
C[N@@H+](CCO)CCC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761545	1	54	0.0	-64.92	407.82	0.94	-63.98
C[C@@H](C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029761546	0	50	0.0	-61.91	374.39	3.41	-58.50
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761550	0	54	0.0	-61.66	390.27	4.55	-57.11
C[N@H+]1CCCC[C@@H]1C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761550	1	54	0.0	-60.76	399.16	4.57	-56.19
CC1CN2CC[N@@H+]1CC2C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761558	0	57	0.0	-63.57	410.78	2.09	-61.48
CC1CN2CC[N@H+]1CC2C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761558	1	57	0.0	-64.35	409.30	2.02	-62.33
O=C(CC1=CC2=C[NH+]=CN2C=C1)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761600	0	52	0.0	-66.94	411.77	7.16	-59.78
C[N@H+](CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029761623	0	55	0.0	-67.82	416.58	5.21	-62.61
C[N@@H+](CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029761623	1	55	0.0	-67.76	416.73	5.19	-62.57
O=C(C[NH+]1CCC1)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761624	1	48	0.0	-63.10	367.41	3.39	-59.71
C[N@@H+]1CCC(=CC(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029761654	0	52	0.0	-69.28	396.80	4.66	-64.62
C[N@H+]1CCC(=CC(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029761654	1	52	0.0	-69.39	396.81	4.67	-64.72
C[NH+](C)CCOCC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761687	0	54	0.0	-65.80	413.26	4.03	-61.77
CCCCC[N@H+](C)CCC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761693	0	62	0.0	-66.31	461.97	6.48	-59.83
CCCCC[N@@H+](C)CCC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761693	1	62	0.0	-66.29	461.97	6.49	-59.80
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029761702	0	58	0.0	-66.49	436.52	5.08	-61.41
C=CCC(C)(C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029761709	0	57	0.0	-58.41	411.50	5.12	-53.29
C[S+](C)CCC(O)C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761714	0	53	0.0	-62.68	422.61	2.79	-59.89
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761739	0	55	0.0	-65.19	403.18	1.33	-63.86
CN1CC[N@H+](C)CC(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029761749	0	59	0.0	-64.82	427.76	3.12	-61.70
CN1CC[N@@H+](C)CC(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029761749	1	59	0.0	-64.82	427.76	3.12	-61.70
CC(C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300029761750	0	58	0.0	-60.71	428.62	2.02	-58.69
O=C(CN1CCC(CO)CC1)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761759	0	58	0.0	-64.25	431.60	2.30	-61.95
O=C(C[NH+]1CCC(CO)CC1)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761759	1	58	0.0	-64.25	431.60	2.30	-61.95
C[N@@H+]1CCCC(O)(CC(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029761768	0	58	0.0	-63.03	427.70	3.32	-59.71
C[N@H+]1CCCC(O)(CC(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029761768	1	58	0.0	-63.03	427.70	3.32	-59.71
CC1CN(CC(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029761771	0	51	0.0	-62.97	388.58	4.06	-58.91
CC1C[NH+](CC(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029761771	1	51	0.0	-62.97	388.58	4.06	-58.91
CN(CCO)CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761797	0	51	0.0	-63.69	385.47	0.40	-63.29
C[N@H+](CCO)CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761797	1	51	0.0	-62.74	385.65	0.57	-62.17
C[N@@H+](CCO)CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761797	1	51	0.0	-62.74	385.65	0.57	-62.17
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[N@@H+]2CCN1CCC2	REAL300029761819	0	57	0.0	-68.18	402.69	2.22	-65.96
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[N@H+]2CCN1CCC2	REAL300029761819	1	57	0.0	-68.18	402.69	2.22	-65.96
CC[N@@H+]1CCCC(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029761825	0	57	0.0	-63.25	420.17	5.40	-57.85
CC[N@H+]1CCCC(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029761825	1	57	0.0	-63.25	420.17	5.40	-57.85
CC(CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029761827	0	56	0.0	-67.40	414.08	4.98	-62.42
CC[N@H+](C)CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761838	0	50	0.0	-62.73	375.12	3.63	-59.10
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@@H+]1CCCC2	REAL300029761862	0	58	0.0	-59.11	413.43	5.70	-53.41
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@H+]1CCCC2	REAL300029761862	1	58	0.0	-59.47	413.15	5.51	-53.96
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@@H+]1CC=CC2	REAL300029761867	0	56	0.0	-58.61	404.82	5.23	-53.38
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@H+]1CC=CC2	REAL300029761867	1	56	0.0	-58.75	403.64	5.49	-53.26
CC[N@H+](CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029761887	0	54	0.0	-59.67	405.98	5.00	-54.67
CC[N@@H+](CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029761887	1	54	0.0	-60.32	403.82	5.12	-55.20
CC[NH+](CC)CCC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761903	0	56	0.0	-64.05	411.08	4.61	-59.44
C[NH+]1CCC(=CC(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029761914	0	55	0.0	-68.36	411.05	5.27	-63.09
CC1(C)C[NH+](CC(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029761926	1	54	0.0	-62.72	407.93	4.59	-58.13
CC1(O)CC[N@H+](CC(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029761951	0	55	0.0	-62.44	413.91	1.55	-60.89
CC1(O)CC[N@@H+](CC(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029761951	1	55	0.0	-62.70	413.32	1.39	-61.31
C[NH+](C)CC=CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761958	0	51	0.0	-68.76	393.73	4.34	-64.42
CC(OCC[NH+](C)C)C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761979	0	57	0.0	-64.43	433.42	4.87	-59.56
C[NH+](C)CCOCCC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761987	0	57	0.0	-65.88	434.15	3.75	-62.13
COCC[N@H+](C)CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761988	1	54	0.0	-62.55	407.91	2.98	-59.57
COCC[N@@H+](C)CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761988	1	54	0.0	-63.63	407.72	2.80	-60.83
C[NH+](C)C1(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029762021	0	57	0.0	-60.83	409.70	5.77	-55.06
CC(CCC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029762024	0	56	0.0	-65.72	410.88	4.65	-61.07
CC[N@@H+]1CCC1C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762031	1	51	0.0	-61.81	389.05	3.94	-57.87
CC[N@H+]1CCC1C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762031	1	51	0.0	-61.64	389.57	4.16	-57.48
CC(C)[N@@H+]1CCCC(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029762041	0	60	0.0	-62.07	436.21	5.77	-56.30
CC(C)[N@H+]1CCCC(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029762041	1	60	0.0	-61.94	436.71	5.93	-56.01
O=C(C[N@H+]1CCCC1CO)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762054	0	55	0.0	-60.83	412.61	1.66	-59.17
O=C(C[N@@H+]1CCCC1CO)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762054	1	55	0.0	-61.08	410.94	1.73	-59.35
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@@H+]2C1	REAL300029762076	0	58	0.0	-60.61	424.85	5.73	-54.88
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@H+]2C1	REAL300029762076	1	58	0.0	-61.40	424.88	5.66	-55.74
C[NH+]1CCC(C)(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029762082	0	57	0.0	-62.78	414.57	5.05	-57.73
C[NH+](C)CC1=CNC(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029762088	0	55	0.0	-68.56	423.69	4.23	-64.33
CC(C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300029762102	0	58	0.0	-63.17	428.85	2.03	-61.14
C=CCC(C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029762110	0	54	0.0	-60.11	400.92	4.63	-55.48
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762120	0	57	0.0	-60.73	423.37	5.09	-55.64
C[N@H+]1CC(C)(C)CC1C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762120	1	57	0.0	-60.65	423.06	5.14	-55.51
C[NH+](C)CCCCCC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762124	0	59	0.0	-68.35	444.25	5.89	-62.46
O=C(C[NH+]1CC2CC2C1)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762132	0	52	0.0	-62.40	391.91	4.82	-57.58
CC1C[N@@H+]2CCN1C(C(=O)NCC1CCCCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029762158	0	57	0.0	-66.30	399.86	2.42	-63.88
CC1C[N@H+]2CCN1C(C(=O)NCC1CCCCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029762158	1	57	0.0	-67.26	411.02	2.14	-65.12
CCCC(C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029762159	0	56	0.0	-61.56	409.20	4.87	-56.69
C[NH+](C)C(C)(C)C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762163	0	53	0.0	-60.34	385.29	4.24	-56.10
C[N@@H+]1CCCCC1C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762201	0	54	0.0	-59.94	399.82	4.60	-55.34
C[N@H+]1CCCCC1C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762201	1	54	0.0	-61.76	389.84	4.41	-57.35
C[N@H+]1CC=C(CC(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029762234	0	55	0.0	-67.09	416.56	5.30	-61.79
C[N@@H+]1CC=C(CC(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029762234	1	55	0.0	-66.03	416.57	5.30	-60.73
O=C(CC1([NH+]2CCCC2)CC1)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762243	0	58	0.0	-60.89	423.69	5.84	-55.05
C[NH+](C)CC1=CC=C(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029762287	1	54	0.0	-66.87	420.82	4.68	-62.19
O=C(C=CC[NH+]1CCCC1)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762303	0	55	0.0	-67.21	417.95	5.24	-61.97
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[NH+](C2CC2)CC1	REAL300029762324	0	58	0.0	-64.18	426.82	5.83	-58.35
C[NH+](C)C1(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029762343	0	51	0.0	-60.23	378.51	4.60	-55.63
O=C(CC[NH+]1CCCC1)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762345	0	54	0.0	-64.47	404.97	4.65	-59.82
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+]2CCN1CC2	REAL300029762379	0	54	0.0	-67.39	394.01	1.61	-65.78
C[N@@H+]1CC2CC1(C(=O)NCC1CCCCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029762389	0	52	0.0	-59.38	389.78	4.32	-55.06
C[N@H+]1CC2CC1(C(=O)NCC1CCCCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029762389	1	52	0.0	-59.84	387.18	4.61	-55.23
O=C(C[N@@H+]1CC2CCC1C2)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762401	0	55	0.0	-60.47	401.00	4.83	-55.64
O=C(C[N@H+]1CC2CCC1C2)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762401	1	55	0.0	-60.33	401.75	4.89	-55.44
O=C(C=C1C[NH+]2CCC1CC2)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762442	0	56	0.0	-65.71	413.78	5.38	-60.33
O=C(C[N@@H+]1CC2C=CC1C2)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762452	1	53	0.0	-60.72	396.84	4.93	-55.79
O=C(C[N@H+]1CC2C=CC1C2)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762452	1	53	0.0	-60.30	396.53	4.84	-55.46
CC[NH+]1CCN(CC(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029762483	0	59	0.0	-65.77	434.93	3.32	-62.45
CC(C[NH+](C)C)C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762500	0	53	0.0	-61.91	395.99	4.49	-57.42
C[N@@H+]1CCCCC1CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762570	0	57	0.0	-58.35	409.70	5.19	-53.16
C[N@H+]1CCCCC1CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762570	1	57	0.0	-65.17	416.51	5.15	-60.02
CC1=C2C=C(C(=O)NCC3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029762586	1	52	0.0	-65.26	409.67	7.05	-58.21
CC(C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300029762587	1	54	0.0	-60.89	404.95	4.71	-56.18
CC1CC[N@@H+]1CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762590	1	51	0.0	-61.18	383.19	3.78	-57.40
CC1CC[N@H+]1CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762590	1	51	0.0	-61.59	389.26	4.21	-57.38
C[NH+](C)CC(O)CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762594	0	54	0.0	-69.23	410.00	1.99	-67.24
CC1C[N@H+](C)CC(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029762621	1	55	0.0	-68.21	416.49	4.31	-63.90
CC1C[N@@H+](C)CC(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029762621	1	55	0.0	-69.41	416.45	4.31	-65.10
O=C(CC[NH+]1CCC(O)CC1)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762630	0	58	0.0	-67.76	432.03	2.02	-65.74
CCC[N@@H+]1CCCCC1C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762632	0	60	0.0	-60.26	429.35	5.97	-54.29
CCC[N@H+]1CCCCC1C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762632	1	60	0.0	-59.88	429.06	5.75	-54.13
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029762702	0	54	0.0	-66.10	407.49	4.86	-61.24
CC(CC[NH+](C)C)C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762710	0	56	0.0	-67.06	417.80	5.02	-62.04
C[N@H+](CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029762730	0	58	0.0	-60.43	427.94	2.36	-58.07
C[N@@H+](CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029762730	1	58	0.0	-62.12	428.31	2.17	-59.95
C#CC[N@H+]1CCCCC1C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762736	1	56	0.0	-58.62	424.58	5.76	-52.86
C#CC[N@@H+]1CCCCC1C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762736	1	56	0.0	-59.80	415.52	5.75	-54.05
C[NH+]1CCN(CC(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029762739	1	56	0.0	-67.37	417.19	2.64	-64.73
CC[NH+]1CCN(CC(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029762748	0	59	0.0	-65.77	434.93	3.32	-62.45
NC(=[NH2+])SCC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762772	0	45	0.0	-64.24	365.92	-0.16	-64.40
CC[N@@H+]1CCOCC1CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762807	0	58	0.0	-66.06	425.51	3.43	-62.63
C[NH+](C)C1CCC(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029762822	0	60	0.0	-65.33	429.67	5.65	-59.68
C[NH+](C)CCC1(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029762823	0	57	0.0	-62.54	432.06	5.68	-56.86
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029762825	0	60	0.0	-62.80	430.16	5.80	-57.00
C[N@@H+]1CC=CCC1CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762826	0	55	0.0	-59.66	404.12	5.11	-54.55
C[N@H+]1CC=CCC1CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762826	1	55	0.0	-59.66	404.12	5.11	-54.55
C[C@@H](OCC[NH+](C)C)C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762847	0	57	0.0	-64.48	432.99	4.72	-59.76
C[NH+]1C2CCC1CC(C(=O)NCC1CCCCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029762873	0	58	0.0	-59.05	400.25	5.51	-53.54
CC(C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300029762979	1	55	0.0	-63.42	411.73	4.89	-58.53
CCC1C[NH+](CC(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029762981	1	54	0.0	-63.59	409.86	4.86	-58.73
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1([NH+]2CCCC2)CCC1	REAL300029762983	0	58	0.0	-59.14	418.84	5.76	-53.38
C[N@@H+]1CCC[C@H]1C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762992	0	51	0.0	-61.04	383.29	4.02	-57.02
C[N@H+]1CCC[C@H]1C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762992	1	51	0.0	-62.53	377.31	3.51	-59.02
O=C(CC[N@H+]1CCC(F)C1)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762999	0	54	0.0	-67.86	411.52	4.78	-63.08
O=C(CC[N@@H+]1CCC(F)C1)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762999	1	54	0.0	-68.47	412.56	4.95	-63.52
COC1C[N@H+](C)C(C)(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029763007	0	58	0.0	-59.57	426.29	3.68	-55.89
COC1C[N@@H+](C)C(C)(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029763007	1	58	0.0	-60.01	427.72	3.43	-56.58
O=C(CC[NH+]1CCCCCC1)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029763015	0	60	0.0	-65.44	431.94	5.76	-59.68
O=C(C[NH+]1CCCCC1)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029763017	0	54	0.0	-61.94	399.99	4.99	-56.95
CC1C(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029763027	0	54	0.0	-64.63	399.29	4.59	-60.04
CC1C(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029763027	1	54	0.0	-63.69	398.58	4.17	-59.52
C[N@@H+]1CCCCC1CCC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029763029	0	60	0.0	-64.89	438.96	6.01	-58.88
C[N@H+]1CCCCC1CCC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029763029	1	60	0.0	-65.03	438.05	5.89	-59.14
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+]2CCOCC12	REAL300029763057	0	56	0.0	-62.67	412.90	3.42	-59.25
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+]2CCOCC12	REAL300029763057	1	56	0.0	-62.13	412.56	3.28	-58.85
CC1=[NH+]C=C2C=CC(C(=O)NCC3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300029763062	0	52	0.0	-62.11	408.90	6.24	-55.87
C[N@@H+]1CCOCC1CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029763076	1	55	0.0	-60.98	401.07	2.80	-58.18
C[N@H+]1CCOCC1CC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029763076	1	55	0.0	-62.27	400.99	2.80	-59.47
CC1=C(C)[NH+]=C(CCC(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029763084	1	55	0.0	-59.88	427.63	4.26	-55.62
C[N@@H+]1CCCC1C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029763254	0	51	0.0	-70.37	378.52	3.74	-66.63
C[N@H+]1CCCC1C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029763254	1	51	0.0	-70.33	378.60	3.72	-66.61
C[N@@H+]1CCOC(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029763280	1	52	0.0	-76.78	385.72	3.23	-73.55
C[N@H+]1CCOC(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029763280	1	52	0.0	-71.72	383.86	3.23	-68.49
CC1=[NH+]C=CN1CCCC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029763440	1	55	0.0	-67.18	431.39	6.18	-61.00
O=C(CC[NH+]1CCOCC1)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029763445	1	55	0.0	-74.38	415.70	3.28	-71.10
O=C(NCC1CCCCN(C(=O)C23CCC[NH+]2CCC3)C1)C1=CC(=O)[N-]O1	REAL300029763470	0	55	0.0	-66.13	393.90	4.40	-61.73
O=C(NCC1CCCCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1)C1=CC(=O)[N-]O1	REAL300029763479	1	49	0.0	-53.94	376.61	6.68	-47.26
C[NH+](C)C1CCCC(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029763533	0	60	0.0	-65.35	427.82	5.56	-59.79
C[N@@H+]1CCC(CC(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029763536	0	54	0.0	-72.47	407.39	4.85	-67.62
C[N@H+]1CCC(CC(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029763536	1	54	0.0	-71.61	407.11	4.89	-66.72
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029763548	0	53	0.0	-77.71	414.57	3.02	-74.69
CCC(C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029763553	0	53	0.0	-67.86	385.40	4.07	-63.79
C[NH+](C)CCCCC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029763615	0	56	0.0	-73.07	425.78	5.42	-67.65
CC(C)C(C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029763637	0	56	0.0	-71.43	400.43	4.43	-67.00
CCC[N@H+](C)CCC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029763639	0	56	0.0	-72.53	422.02	5.24	-67.29
CCC[N@@H+](C)CCC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029763639	1	56	0.0	-72.50	422.02	5.24	-67.26
CCC[N@H+](C)CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029763644	0	53	0.0	-69.17	399.66	4.65	-64.52
CCC[N@@H+](C)CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029763644	1	53	0.0	-69.27	399.63	4.63	-64.64
O=C(NCC1CCCCN(C(=O)C23CC[N@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300029763667	0	55	0.0	-81.30	388.43	3.77	-77.53
O=C(NCC1CCCCN(C(=O)C23CC[N@@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300029763667	1	55	0.0	-80.13	389.23	3.90	-76.23
CCCCCC[N@H+](C)CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029763699	0	62	0.0	-70.50	464.15	6.99	-63.51
CCCCCC[N@@H+](C)CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029763699	1	62	0.0	-70.53	464.14	6.97	-63.56
CC[NH+](CC)C(C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300029763703	0	62	0.0	-68.02	429.15	6.13	-61.89
CC1CC[NH+](CC(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029763735	0	57	0.0	-70.46	423.00	5.70	-64.76
C[NH+]1CCC(OCC(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029763761	0	58	0.0	-78.08	440.22	5.38	-72.70
O=C(NCC1CCCCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029763803	0	58	0.0	-72.60	420.32	5.62	-66.98
O=C(NCC1CCCCN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029763803	1	58	0.0	-72.87	426.91	5.80	-67.07
C[NH+](C)CC1(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029763814	0	54	0.0	-72.46	408.62	4.74	-67.72
CC(C)[NH+]1CCC(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029763825	0	60	0.0	-72.89	432.23	5.61	-67.28
CC[N@H+](C)CCC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029763846	0	53	0.0	-71.66	400.53	4.49	-67.17
CC[N@@H+](C)CCC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029763846	1	53	0.0	-71.62	400.52	4.49	-67.13
CC(C)(C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029763872	0	60	0.0	-67.73	418.81	5.51	-62.22
O=C(NCC1CCCCN(C(=O)C2C[NH+]3CCC2CC3)C1)C1=CC(=O)[N-]O1	REAL300029763880	0	55	0.0	-73.08	397.02	4.72	-68.36
C[NH+]1CCC(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029763955	0	54	0.0	-75.79	401.57	4.67	-71.12
CC(C)[C@H](C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029763973	0	56	0.0	-69.34	402.97	4.86	-64.48
CC[NH+](CC)CC(F)C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029764059	0	56	0.0	-52.08	408.47	5.82	-46.26
CC(C)C[N@@H+]1CCC(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029764091	0	60	0.0	-70.79	443.59	6.11	-64.68
CC(C)C[N@H+]1CCC(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029764091	1	60	0.0	-70.90	442.66	6.08	-64.82
C[NH+](C)C1(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300029764095	0	54	0.0	-72.96	383.85	3.79	-69.17
CCC(C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029764126	0	59	0.0	-66.78	417.69	5.19	-61.59
CC1CCC[N@@H+]1CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029764146	0	54	0.0	-66.11	406.41	4.88	-61.23
CC1CCC[N@H+]1CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029764146	1	54	0.0	-66.80	405.54	4.98	-61.82
CC(C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300029764201	0	60	0.0	-67.48	428.44	5.56	-61.92
CC(C)[N@@H+]1CCCCC1C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029764203	0	60	0.0	-65.68	421.89	5.32	-60.36
CC(C)[N@H+]1CCCCC1C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029764203	1	60	0.0	-65.97	424.33	5.30	-60.67
CC(C)[N@@H+]1CCCC1C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029764224	0	57	0.0	-66.88	411.37	4.99	-61.89
CC(C)[N@H+]1CCCC1C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029764224	1	57	0.0	-69.09	410.03	5.40	-63.69
CC(C)[N@@H+]1CCCC1CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029764230	0	60	0.0	-68.97	433.61	5.55	-63.42
CC(C)[N@H+]1CCCC1CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029764230	1	60	0.0	-69.55	429.89	5.51	-64.04
CC(C)[C@@H](C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029764243	0	56	0.0	-68.58	399.07	4.52	-64.06
CC1CC[N@H+](CC(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029764263	0	54	0.0	-68.37	405.59	4.88	-63.49
CC1CC[N@@H+](CC(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029764263	1	54	0.0	-68.75	406.47	4.94	-63.81
CC1(C)CC[N@H+](CC(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029764267	0	57	0.0	-68.59	425.44	5.48	-63.11
CC1(C)CC[N@@H+](CC(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029764267	1	57	0.0	-69.18	425.93	5.47	-63.71
C[N@H+](CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029764268	0	59	0.0	-69.58	428.30	5.63	-63.95
C[N@@H+](CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029764268	1	59	0.0	-69.44	430.22	5.78	-63.66
CC[C@@H](C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029764276	0	53	0.0	-70.23	390.50	4.24	-65.99
CC1=[NH+]C=CN1CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029764466	1	49	0.0	-64.64	388.79	4.79	-59.85
CC(C[NH+]1CCOCC1)C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029764467	0	58	0.0	-74.03	426.75	3.66	-70.37
O=C(CCC[NH+]1CCCCC1)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029764483	0	60	0.0	-70.88	445.94	6.50	-64.38
C[NH+](C)CC1=CC(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300029764498	1	53	0.0	-77.56	415.44	4.47	-73.09
CC1=C(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300029764499	0	52	0.0	-73.37	413.47	6.85	-66.52
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029764533	1	55	0.0	-63.66	426.10	5.95	-57.71
O=C(NCC1CCCCN(C(=O)C2CCCC3CCC[N@@H+]32)C1)C1=CC(=O)[N-]O1	REAL300029764564	0	58	0.0	-60.65	410.19	5.26	-55.39
O=C(NCC1CCCCN(C(=O)C2CCCC3CCC[N@H+]32)C1)C1=CC(=O)[N-]O1	REAL300029764564	1	58	0.0	-67.10	413.23	5.30	-61.80
CC[N@@H+]1CCOC(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029764581	1	55	0.0	-82.85	410.47	4.07	-78.78
CC[N@H+]1CCOC(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029764581	1	55	0.0	-82.94	410.54	4.06	-78.88
O=C(NCC1CCCCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300029764632	0	49	0.0	-55.38	376.22	6.69	-48.69
CC1=C[NH+]=CN1CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029764637	1	49	0.0	-67.68	390.09	5.55	-62.13
C[C@@H]1[C@H](C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029764651	0	54	0.0	-72.35	392.05	4.09	-68.26
C[C@@H]1[C@H](C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029764651	1	54	0.0	-75.57	402.16	4.48	-71.09
CC[C@@H]1[C@@H](C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029764655	0	57	0.0	-74.10	412.81	4.72	-69.38
CC[C@@H]1[C@@H](C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029764655	1	57	0.0	-73.29	422.49	5.30	-67.99
CC1CCC(C)[NH+]1CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029764666	0	57	0.0	-65.55	417.12	5.09	-60.46
O=C(CCC[NH+]1CCCC1)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029764672	0	57	0.0	-70.18	428.51	5.69	-64.49
C#CC[NH+]1CCC(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029764678	0	56	0.0	-78.27	426.93	5.89	-72.38
O=C(CC[NH+]1CCCCC1)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029764679	0	57	0.0	-70.81	424.43	5.71	-65.10
CC[N@@H+]1CCCCC1C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029764686	0	57	0.0	-67.18	406.73	4.92	-62.26
CC[N@H+]1CCCCC1C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029764686	1	57	0.0	-67.09	417.51	5.34	-61.75
C[NH+](C)C1(CC(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029764726	0	60	0.0	-75.29	424.07	5.71	-69.58
C[N@H+](CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029764867	0	54	0.0	-66.61	406.54	5.23	-61.38
C[N@@H+](CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029764867	1	54	0.0	-66.91	406.56	5.20	-61.71
CC(C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300029764889	0	60	0.0	-65.25	427.80	5.44	-59.81
O=C(CCCC[NH+]1CCCC1)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029764901	0	60	0.0	-71.41	451.76	6.59	-64.82
C[NH+]1CCC(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029764912	0	54	0.0	-75.79	401.57	4.67	-71.12
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029764953	0	51	0.0	-69.58	378.44	3.71	-65.87
C[N@H+]1CCC[C@@H]1C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029764953	1	51	0.0	-67.96	381.22	3.96	-64.00
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029764976	1	53	0.0	-68.30	405.64	4.94	-63.36
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029764976	1	53	0.0	-69.95	411.60	5.36	-64.59
C[N@@H+]1CCCC1CCC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029764982	0	57	0.0	-74.79	427.74	5.78	-69.01
C[N@H+]1CCCC1CCC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029764982	1	57	0.0	-68.75	422.38	5.29	-63.46
O=C(NCC1CCCCN(C(=O)C23CCC[NH+](CCC2)C3)C1)C1=CC(=O)[N-]O1	REAL300029764991	0	58	0.0	-72.35	408.42	4.89	-67.46
O=C(NCC1CCCCN(C(=O)C2CCC3CCCC[N@@H+]32)C1)C1=CC(=O)[N-]O1	REAL300029764994	0	58	0.0	-68.05	420.80	5.67	-62.38
O=C(NCC1CCCCN(C(=O)C2CCC3CCCC[N@H+]32)C1)C1=CC(=O)[N-]O1	REAL300029764994	1	58	0.0	-67.09	419.80	5.69	-61.40
CCC[N@@H+]1CCCC(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029765063	0	60	0.0	-64.03	431.84	6.19	-57.84
CCC[N@H+]1CCCC(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029765063	1	60	0.0	-64.17	434.15	6.32	-57.85
CC(C)[N@@H+]1CCOC(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029765078	1	58	0.0	-73.69	420.34	4.39	-69.30
CC(C)[N@H+]1CCOC(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029765078	1	58	0.0	-78.17	428.97	4.61	-73.56
C[N@@H+]1CCCCC1C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029765101	0	54	0.0	-67.89	398.05	4.69	-63.20
C[N@H+]1CCCCC1C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029765101	1	54	0.0	-66.64	399.43	4.74	-61.90
CC(C)C[N@@H+]1CCCC1C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029765124	0	60	0.0	-70.36	431.63	5.44	-64.92
CC(C)C[N@H+]1CCCC1C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029765124	1	60	0.0	-69.56	431.35	6.35	-63.21
O=C(C[NH+]1CCC(CO)CC1)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029765139	0	58	0.0	-70.90	433.83	2.39	-68.51
CC1C(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029765182	0	54	0.0	-71.36	402.23	4.51	-66.85
CC1C(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029765182	1	54	0.0	-72.05	389.70	4.08	-67.97
C[N@@H+]1CCCCC1CCC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029765184	0	60	0.0	-75.88	434.22	6.01	-69.87
C[N@H+]1CCCCC1CCC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029765184	1	60	0.0	-75.94	434.31	6.02	-69.92
NC1=[NH+]C2=C(C=C1C(=O)N1CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C1)CCC2	REAL300029765215	1	54	0.0	-62.79	417.86	3.97	-58.82
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029765273	0	57	0.0	-68.83	398.57	4.16	-64.67
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029765273	1	57	0.0	-67.94	420.39	4.85	-63.09
C[C@@H](C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029765291	0	50	0.0	-69.94	376.03	3.52	-66.42
C=CCC(C)(C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029765308	0	57	0.0	-59.78	389.95	4.49	-55.29
O=C(CC[NH+]1CCCC1)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029765330	0	54	0.0	-71.09	408.60	5.00	-66.09
C[N@H+](CCO)CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029765340	1	51	0.0	-70.25	388.48	0.66	-69.59
C[N@@H+](CCO)CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029765340	1	51	0.0	-69.72	388.30	0.67	-69.05
O=C(NCC1CCCCN(C(=O)C2C[N@@H+]3CCN2CCC3)C1)C1=CC(=O)[N-]O1	REAL300029765376	0	57	0.0	-80.37	406.91	2.48	-77.89
O=C(NCC1CCCCN(C(=O)C2C[N@H+]3CCN2CCC3)C1)C1=CC(=O)[N-]O1	REAL300029765376	1	57	0.0	-83.43	403.75	2.63	-80.80
CC(C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300029765397	1	55	0.0	-71.98	411.12	4.83	-67.15
C[N@H+]1CC=C(CC(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029765429	0	55	0.0	-66.21	419.57	5.60	-60.61
C[N@@H+]1CC=C(CC(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029765429	1	55	0.0	-63.35	419.58	5.60	-57.75
C[S+](C)CCC(O)C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029765444	0	53	0.0	-77.78	421.50	2.64	-75.14
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029765462	0	55	0.0	-66.21	394.42	0.13	-66.08
C[N@H+]1CC(O)CC1(C)C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029765462	1	55	0.0	-76.43	395.19	0.54	-75.89
CN1CC[N@H+](C)CC(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029765472	0	59	0.0	-68.21	428.16	2.99	-65.22
CN1CC[N@@H+](C)CC(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029765472	1	59	0.0	-69.91	429.52	3.06	-66.85
CC(C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300029765473	0	58	0.0	-68.62	426.05	2.24	-66.38
CC(C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300029765473	1	58	0.0	-69.67	426.98	2.22	-67.45
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029765500	0	54	0.0	-69.90	418.89	3.98	-65.92
C[N@@H+]1CCCC(O)(CC(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029765506	0	58	0.0	-69.36	427.87	3.68	-65.68
C[N@H+]1CCCC(O)(CC(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029765506	1	58	0.0	-69.92	418.14	3.52	-66.40
CC1C[NH+](CC(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029765511	1	51	0.0	-69.49	391.76	4.31	-65.18
CC[N@@H+]1CCCC(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029765518	0	57	0.0	-64.75	411.59	5.37	-59.38
CC[N@H+]1CCCC(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029765518	1	57	0.0	-71.63	419.34	5.29	-66.34
NC1=[NH+]C=CC=C1CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029765524	0	50	0.0	-63.84	394.69	3.07	-60.77
O=C(NCC1CCCCN(C(=O)C2CCC[N@@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300029765536	0	55	0.0	-72.12	410.18	5.05	-67.07
O=C(NCC1CCCCN(C(=O)C2CCC[N@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300029765536	1	55	0.0	-65.82	411.36	5.37	-60.45
O=C(C=CC[NH+]1CCCC1)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029765578	0	55	0.0	-54.01	418.02	5.70	-48.31
O=C(NCC1CCCCN(C(=O)C2CC[NH+](C3CC3)CC2)C1)C1=CC(=O)[N-]O1	REAL300029765599	0	58	0.0	-74.80	424.96	5.80	-69.00
CC[N@H+](C)CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029765642	0	50	0.0	-68.93	378.18	3.88	-65.05
O=C(CN1CC2C=CC1C2)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029765693	0	53	0.0	-67.83	399.99	5.20	-62.63
O=C(C[N@@H+]1CC2C=CC1C2)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029765693	1	53	0.0	-67.89	399.66	5.20	-62.69
O=C(C[N@H+]1CC2C=CC1C2)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029765693	1	53	0.0	-67.89	399.66	5.20	-62.69
O=C(NCC1CCCCN(C(=O)C23CCC[N@@H+]2CCCC3)C1)C1=CC(=O)[N-]O1	REAL300029765812	0	58	0.0	-64.94	403.42	4.65	-60.29
O=C(NCC1CCCCN(C(=O)C23CCC[N@H+]2CCCC3)C1)C1=CC(=O)[N-]O1	REAL300029765812	1	58	0.0	-64.94	403.42	4.65	-60.29
O=C(NCC1CCCCN(C(=O)C23CCC[N@@H+]2CC=CC3)C1)C1=CC(=O)[N-]O1	REAL300029765819	0	56	0.0	-64.76	397.64	4.63	-60.13
O=C(NCC1CCCCN(C(=O)C23CCC[N@H+]2CC=CC3)C1)C1=CC(=O)[N-]O1	REAL300029765819	1	56	0.0	-64.76	397.64	4.63	-60.13
CC(OCC[NH+](C)C)C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029765829	0	57	0.0	-69.91	430.61	4.74	-65.17
C[NH+](C)CCOCCC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029765838	0	57	0.0	-71.39	437.24	4.06	-67.33
COCCN(C)CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029765840	0	54	0.0	-69.34	410.55	3.08	-66.26
COCC[N@H+](C)CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029765840	1	54	0.0	-70.68	410.76	3.06	-67.62
COCC[N@@H+](C)CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029765840	1	54	0.0	-70.68	410.76	3.06	-67.62
CC(CCC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029765845	0	56	0.0	-76.27	414.06	5.01	-71.26
C[NH+]1CCC(=CC(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029765862	0	55	0.0	-69.37	413.44	5.52	-63.85
CC[N@H+](CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029765870	0	54	0.0	-66.08	409.27	5.25	-60.83
CC[N@@H+](CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029765870	1	54	0.0	-66.80	406.88	5.24	-61.56
CC1C[N@@H+]2CCN1C(C(=O)N1CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029765885	0	57	0.0	-80.64	409.58	1.88	-78.76
CC1C[N@H+]2CCN1C(C(=O)N1CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029765885	1	57	0.0	-80.70	409.68	1.88	-78.82
C[N@@H+]1CC2CC1(C(=O)N1CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029765908	0	52	0.0	-74.67	386.55	4.39	-70.28
C[N@H+]1CC2CC1(C(=O)N1CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029765908	1	52	0.0	-74.15	386.31	4.22	-69.93
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029765917	1	54	0.0	-70.67	424.67	3.91	-66.76
O=C(C[N@@H+]1CC2CCC1C2)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029765923	0	55	0.0	-66.22	404.88	5.17	-61.05
O=C(C[N@H+]1CC2CCC1C2)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029765923	1	55	0.0	-66.08	404.61	5.12	-60.96
CC(C[NH+](C)C)C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029765943	0	53	0.0	-73.92	395.69	4.25	-69.67
C[NH+](C)C1(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029765959	0	51	0.0	-74.99	380.89	3.80	-71.19
C[C@H](C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029765984	0	50	0.0	-68.96	374.98	3.55	-65.41
CC[N@@H+]1CCC1C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029765991	1	51	0.0	-71.03	391.37	4.12	-66.91
CC[N@H+]1CCC1C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029765991	1	51	0.0	-70.85	391.33	4.16	-66.69
CC(C)[N@@H+]1CCCC(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029766003	0	60	0.0	-70.79	438.08	5.87	-64.92
CC(C)[N@H+]1CCCC(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029766003	1	60	0.0	-70.77	438.10	5.85	-64.92
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029766018	0	59	0.0	-67.50	420.32	3.49	-64.01
C#CC[N@H+]1CCCCC1C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029766059	1	56	0.0	-69.21	415.33	5.38	-63.83
C#CC[N@@H+]1CCCCC1C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029766059	1	56	0.0	-69.29	415.20	5.36	-63.93
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029766060	1	53	0.0	-64.79	412.20	3.82	-60.97
NC1=CC=[NH+]C=C1C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029766061	0	47	0.0	-71.99	371.06	1.16	-70.83
CCCC(C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029766070	0	56	0.0	-69.32	408.56	4.83	-64.49
C[NH+](C)C(C)(C)C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029766077	0	53	0.0	-71.61	380.46	3.65	-67.96
CC(CC[NH+](C)C)C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029766095	0	56	0.0	-73.77	417.43	4.88	-68.89
O=C(NCC1CCCCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1)C1=CC(=O)[N-]O1	REAL300029766162	0	56	0.0	-71.26	417.47	5.66	-65.60
O=C(NCC1CCCCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1)C1=CC(=O)[N-]O1	REAL300029766162	1	56	0.0	-72.23	411.77	6.50	-65.73
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029766196	0	57	0.0	-68.43	425.24	5.18	-63.25
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029766196	1	57	0.0	-69.86	419.02	4.79	-65.07
C[NH+](C)CCCCCC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029766201	0	59	0.0	-72.15	447.28	6.20	-65.95
O=C(CC[NH+]1CCC(O)CC1)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029766205	0	58	0.0	-73.92	434.89	2.31	-71.61
CCC[N@@H+]1CCCCC1C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029766209	0	60	0.0	-67.37	437.64	6.07	-61.30
CCC[N@H+]1CCCCC1C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029766209	1	60	0.0	-68.25	426.71	5.56	-62.69
C[NH+]1CCN(CC(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029766218	1	56	0.0	-68.46	419.63	2.71	-65.75
CC1C[N@H+](C)CC(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029766311	1	55	0.0	-86.40	406.64	3.73	-82.67
CC1C[N@@H+](C)CC(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029766311	1	55	0.0	-71.87	407.09	4.03	-67.84
CCC1CCC[N@H+](CC(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029766343	0	60	0.0	-66.71	433.86	5.89	-60.82
CCC1CCC[N@@H+](CC(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029766343	1	60	0.0	-70.00	441.24	6.33	-63.67
C[NH+](C)CC1=CC=C(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029766351	0	55	0.0	-52.08	409.89	4.61	-47.47
O=C(C[NH+]1CC2CC2C1)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029766366	0	52	0.0	-69.87	395.87	5.09	-64.78
O=C(CC1([NH+]2CCCC2)CC1)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029766379	0	58	0.0	-68.57	425.38	5.98	-62.59
C[N@@H+]1CCCCC1C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029766416	0	54	0.0	-67.89	398.05	4.69	-63.20
C[N@H+]1CCCCC1C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029766416	1	54	0.0	-66.64	399.43	4.74	-61.90
C[N@@H+]1CCC(=CC(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029766531	0	52	0.0	-56.45	394.53	4.82	-51.63
C[N@H+]1CCC(=CC(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029766531	1	52	0.0	-57.06	394.56	4.84	-52.22
O=C(CNC1=CC=[NH+]C=C1)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029766536	0	50	0.0	-70.93	396.15	2.49	-68.44
CC[NH+]1CCN(CC(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029766590	0	59	0.0	-67.12	437.10	3.40	-63.72
O=C(C=C1C[NH+]2CCC1CC2)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029766593	0	56	0.0	-58.95	412.12	5.69	-53.26
C[NH+](C)C1(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029766628	0	57	0.0	-73.32	393.53	3.94	-69.38
C[N@H+](CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029766639	0	58	0.0	-65.46	431.48	2.44	-63.02
C[N@@H+](CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029766639	1	58	0.0	-66.74	431.25	2.63	-64.11
CCC1C[NH+](CC(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029766643	1	54	0.0	-70.54	413.13	5.07	-65.47
O=C(NCC1CCCCN(C(=O)C2([NH+]3CCCC3)CCC2)C1)C1=CC(=O)[N-]O1	REAL300029766647	0	58	0.0	-65.31	409.69	5.08	-60.23
C[N@@H+]1CCC[C@H]1C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029766661	0	51	0.0	-68.89	385.07	4.09	-64.80
C[N@H+]1CCC[C@H]1C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029766661	1	51	0.0	-69.97	377.08	3.69	-66.28
CC[N@@H+]1CCOCC1CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029766689	0	58	0.0	-75.29	428.26	3.74	-71.55
NC1=NC2=CC(C(=O)N3CCCCC(CNC(=O)C4=CC(=O)[N-]O4)C3)=CC=C2N1	REAL300029766770	0	51	0.0	-49.91	388.56	4.60	-45.31
NC1=[NH+]C2=CC(C(=O)N3CCCCC(CNC(=O)C4=CC(=O)[N-]O4)C3)=CC=C2N1	REAL300029766770	1	51	0.0	-49.91	388.56	4.60	-45.31
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029766804	0	54	0.0	-73.31	409.34	4.94	-68.37
C[NH+](C)C1CCC(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029766818	0	60	0.0	-69.43	427.80	5.59	-63.84
C[NH+](C)CCC1(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029766819	0	57	0.0	-75.38	431.85	5.56	-69.82
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029766821	0	60	0.0	-63.13	426.78	5.64	-57.49
C[N@@H+]1CC=CCC1CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029766822	0	55	0.0	-74.48	411.45	5.35	-69.13
C[N@H+]1CC=CCC1CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029766822	1	55	0.0	-74.48	411.45	5.35	-69.13
CC1=CC(C=CC(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)=C[NH+]=C1N	REAL300029766870	1	54	0.0	-75.29	424.86	4.22	-71.07
C[NH+](C)CCOCC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029766882	0	54	0.0	-68.13	416.29	4.36	-63.77
CCCCC[N@H+](C)CCC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029766888	0	62	0.0	-73.47	465.02	6.80	-66.67
CCCCC[N@@H+](C)CCC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029766888	1	62	0.0	-73.44	464.99	6.80	-66.64
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029766899	0	58	0.0	-72.23	436.00	5.04	-67.19
[NH2+]=C1SC=CN1CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029766923	0	47	0.0	-64.97	387.50	3.41	-61.56
C[C@@H](OCC[NH+](C)C)C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029766992	0	57	0.0	-66.63	431.14	4.77	-61.86
O=C(CC[NH+]1CCCCCC1)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029767030	0	60	0.0	-73.38	434.45	5.90	-67.48
C[N@@H+]1CCCC(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029767036	0	54	0.0	-65.09	393.90	4.71	-60.38
C[N@H+]1CCCC(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029767036	1	54	0.0	-65.09	393.90	4.71	-60.38
O=C(C[NH+]1CCCCCC1)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029767038	0	57	0.0	-68.43	411.43	5.29	-63.14
CN1C=C[N+](CC(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029767043	0	49	0.0	-66.15	391.65	6.73	-59.42
CN(C)CC1=CC=C(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029767059	0	54	0.0	-83.16	421.94	5.01	-78.15
C[NH+](C)CC1=CC=C(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029767059	1	54	0.0	-83.16	421.94	5.01	-78.15
O=C(CN1CCC(O)CC1)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029767075	0	55	0.0	-75.39	413.24	1.74	-73.65
O=C(C[NH+]1CCC(O)CC1)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029767075	1	55	0.0	-75.39	413.24	1.74	-73.65
C[N@H+](CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029767080	0	51	0.0	-66.67	389.81	4.63	-62.04
CC(C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1)N1CCN(C)CC1	REAL300029767082	0	59	0.0	-70.52	426.54	2.72	-67.80
CC(C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300029767082	1	59	0.0	-70.52	426.54	2.72	-67.80
O=C(CC[N@H+]1CCC(F)C1)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029767084	0	54	0.0	-76.53	414.94	5.09	-71.44
COC1C[N@H+](C)C(C)(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029767094	0	58	0.0	-74.55	417.15	2.99	-71.56
CC(CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029767111	0	56	0.0	-71.44	417.62	5.29	-66.15
O=C(NCC1CCCCN(C(=O)C2CC[N@@H+]3CCOCC23)C1)C1=CC(=O)[N-]O1	REAL300029767126	0	56	0.0	-69.04	409.83	3.32	-65.72
O=C(NCC1CCCCN(C(=O)C2CC[N@H+]3CCOCC23)C1)C1=CC(=O)[N-]O1	REAL300029767126	1	56	0.0	-69.04	409.83	3.32	-65.72
CN1CCOCC1CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029767145	0	55	0.0	-65.42	403.51	2.94	-62.48
C[N@@H+]1CCOCC1CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029767145	1	55	0.0	-65.35	403.39	2.94	-62.41
C[N@H+]1CCOCC1CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029767145	1	55	0.0	-65.35	403.39	2.94	-62.41
CC1=CC(N)=NC=C1C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029767205	0	50	0.0	-72.51	392.09	2.48	-70.03
CC1=CC(N)=[NH+]C=C1C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029767205	1	50	0.0	-72.51	392.09	2.48	-70.03
CC1(O)CC[N@H+](CC(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029767247	0	55	0.0	-70.26	416.84	1.61	-68.65
C[NH+]1CC(CC(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029767281	0	51	0.0	-70.17	391.54	4.08	-66.09
O=C(NCC1CCCCN(C(=O)C2CC[N@@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300029767286	0	58	0.0	-71.79	429.39	5.89	-65.90
C[N@H+](CCO)CCC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029767322	0	54	0.0	-70.76	410.83	1.28	-69.48
C[N@@H+](CCO)CCC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029767322	1	54	0.0	-70.76	410.83	1.28	-69.48
C[N@@H+]1CCCCC1CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029767343	0	57	0.0	-73.81	419.51	5.47	-68.34
C[N@H+]1CCCCC1CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029767343	1	57	0.0	-73.81	419.51	5.47	-68.34
CC1=C2C=C(C(=O)N3CCCCC(CNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=N1	REAL300029767363	0	52	0.0	-73.88	417.62	7.19	-66.69
CC1=C2C=C(C(=O)N3CCCCC(CNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029767363	1	52	0.0	-73.88	417.62	7.19	-66.69
CC1CCN1CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029767368	0	51	0.0	-68.11	391.67	4.31	-63.80
CC1CC[N@@H+]1CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029767368	1	51	0.0	-68.15	391.85	4.32	-63.83
CC1CC[N@H+]1CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029767368	1	51	0.0	-68.15	391.85	4.32	-63.83
C[NH+](C)CC=CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029767381	0	51	0.0	-56.90	392.77	4.55	-52.35
CC1(C)CN(CC(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029767394	0	54	0.0	-69.94	410.92	4.84	-65.10
CC1(C)C[NH+](CC(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029767394	1	54	0.0	-69.94	410.92	4.84	-65.10
CC1=C(C)NC(CCC(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029767412	0	55	0.0	-65.57	431.43	4.59	-60.98
CC1=C(C)[NH+]=C(CCC(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029767412	1	55	0.0	-65.57	431.43	4.59	-60.98
CC1=C2C=C(C(=O)N3CCCCC(CNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=N1	REAL300029767423	0	52	0.0	-73.88	417.62	7.19	-66.69
CC1=C2C=C(C(=O)N3CCCCC(CNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029767423	1	52	0.0	-73.88	417.62	7.19	-66.69
C[NH+](C)CCSCC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029767432	0	54	0.0	-77.10	427.32	5.24	-71.86
O=C(C[N@H+]1CCCC1CO)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029767457	0	55	0.0	-65.46	406.27	1.76	-63.70
CC[NH+](CC)CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029767461	0	53	0.0	-67.48	396.50	4.57	-62.91
C[N@H+](CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029767471	0	55	0.0	-75.49	419.60	5.44	-70.05
O=C(CN1CCC1)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029767473	0	48	0.0	-69.57	370.55	3.67	-65.90
O=C(C[NH+]1CCC1)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029767473	1	48	0.0	-69.57	370.55	3.67	-65.90
CC[NH+](CC)CCC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029767519	0	56	0.0	-70.89	418.37	5.20	-65.69
O=C(NCC1CCCCN(C(=O)C2CC3COCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029767604	0	56	0.0	-74.28	418.16	3.46	-70.82
O=C(NCC1CCCCN(C(=O)C2CC3COCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029767604	1	56	0.0	-74.28	418.16	3.46	-70.82
CC(C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1)N1CCC1	REAL300029767618	0	51	0.0	-68.55	383.80	3.98	-64.57
CC(C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029767618	1	51	0.0	-68.55	383.80	3.98	-64.57
CCC(CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029767624	0	59	0.0	-61.38	436.08	5.89	-55.49
C[NH+](C)CC(C)(C)C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029767632	0	56	0.0	-65.05	394.96	4.12	-60.93
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029767690	0	54	0.0	-68.11	399.73	4.71	-63.40
CC1CN2CC[N@@H+]1CC2C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029767704	0	57	0.0	-78.15	410.07	1.85	-76.30
C[NH+](C)CC(O)CC(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029767725	0	54	0.0	-75.53	412.90	2.30	-73.23
C[NH+]1C2CCC1CC(C(=O)N1CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029767728	0	58	0.0	-64.70	405.09	4.92	-59.78
C=CCC(C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029767760	0	54	0.0	-68.20	400.40	4.59	-63.61
O=C(NCC1CCCCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029767768	0	58	0.0	-72.87	426.91	5.80	-67.07
O=C(NCC1CCCCN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029767768	1	58	0.0	-72.87	426.91	5.80	-67.07
C[NH+]1CCC(C)(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029767779	0	57	0.0	-72.70	406.76	4.63	-68.07
C[NH+]1CCC(O)(CC(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029767781	0	58	0.0	-71.81	430.73	3.58	-68.23
CC1=C2C=C(C(=O)NCC3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029767857	1	52	0.0	-65.26	409.67	7.05	-58.21
C[NH+](C)CCSCC(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029767866	0	54	0.0	-70.17	424.28	4.90	-65.27
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2COCC[N@@H+]2C1	REAL300029767874	0	56	0.0	-63.71	415.81	3.34	-60.37
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2COCC[N@H+]2C1	REAL300029767874	1	56	0.0	-64.99	416.16	3.28	-61.71
C[C@H](NC(=O)C1CCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768019	0	45	0.0	-72.95	355.95	1.82	-71.13
C[C@H](NC(=O)C1CCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768019	1	45	0.0	-72.52	355.46	1.91	-70.61
C[C@H](NC(=O)C1C[N@H+](C)CCO1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768043	1	46	0.0	-83.21	372.95	1.82	-81.39
C[C@H](NC(=O)C1C[N@@H+](C)CCO1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768043	1	46	0.0	-81.25	371.84	1.61	-79.64
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768245	1	52	0.0	-68.23	421.02	4.50	-63.73
CC(C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300029768253	0	54	0.0	-69.97	404.77	3.82	-66.15
CC(C)[N@@H+]1CCCCC1C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768256	0	54	0.0	-67.81	408.48	3.94	-63.87
CC(C)[N@H+]1CCCCC1C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768256	1	54	0.0	-67.45	408.63	3.85	-63.60
CC(C)[N@@H+]1CCCC1C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768292	0	51	0.0	-70.54	385.10	3.53	-67.01
CC(C)[N@H+]1CCCC1C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768292	1	51	0.0	-66.05	393.24	3.35	-62.70
C[C@H](NC(=O)C1CC2CCCC[N@@H+]2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768322	0	52	0.0	-70.70	403.05	4.09	-66.61
C[C@H](NC(=O)C1CC2CCCC[N@H+]2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768322	1	52	0.0	-70.51	402.63	4.08	-66.43
CC(C)C1=[NH+]C=CN1CC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768362	1	49	0.0	-68.94	401.37	4.09	-64.85
CC1=[NH+]C=CN1CC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768424	1	43	0.0	-70.10	365.04	2.97	-67.13
CC(C[NH+]1CCOCC1)C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768426	0	52	0.0	-75.52	407.04	2.11	-73.41
C[C@H](NC(=O)CCC[NH+]1CCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768449	0	54	0.0	-74.13	420.65	4.54	-69.59
C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768490	0	54	0.0	-72.06	405.23	4.24	-67.82
C[C@H](NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768493	0	58	0.0	-71.52	440.50	5.18	-66.34
C[C@H](NC(=O)C1CC[N@H+](C2CCCCC2)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768493	1	58	0.0	-74.68	440.77	5.22	-69.46
C[C@H](NC(=O)C1C[NH+]2CCC1CC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768511	0	49	0.0	-77.10	375.70	2.93	-74.17
C[C@H](NC(=O)C1CCCC2CCC[N@@H+]21)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768578	0	52	0.0	-66.90	399.85	4.19	-62.71
C[C@H](NC(=O)C1CCCC2CCC[N@H+]21)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768578	1	52	0.0	-67.06	400.43	4.12	-62.94
C[C@H](NC(=O)C1=CN(CC[NH+](C)C)N=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768581	0	51	0.0	-78.45	418.76	2.64	-75.81
C[C@H](NC(=O)C1=NN(CC[NH+](C)C)C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768598	0	51	0.0	-83.41	420.28	2.87	-80.54
C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768606	0	48	0.0	-77.11	372.38	2.35	-74.76
C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768606	1	48	0.0	-75.38	378.67	2.54	-72.84
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768610	1	52	0.0	-68.34	421.55	4.56	-63.78
CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029768613	0	51	0.0	-74.73	392.67	3.01	-71.72
CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029768613	1	51	0.0	-72.87	396.46	3.60	-69.27
CC[N@@H+]1CCOC(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029768643	1	49	0.0	-76.68	389.47	2.33	-74.35
CC[N@H+]1CCOC(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029768643	1	49	0.0	-75.30	383.68	2.29	-73.01
CC[NH+](CC)CC(F)C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768719	0	50	0.0	-73.96	394.94	3.06	-70.90
C[C@H](NC(=O)C1=C(C[NH+](C)C)C=CS1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768720	0	48	0.0	-65.47	400.79	4.08	-61.39
C[C@H](NC(=O)C[NH+]1C(C)CCC1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768849	0	51	0.0	-70.17	393.46	3.45	-66.72
C[C@H](NC(=O)CCC[NH+]1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768860	0	51	0.0	-73.83	405.44	3.88	-69.95
C[C@H](NC(=O)C1=CC=CC(C[NH+](C)C)=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768861	0	51	0.0	-75.57	413.79	4.84	-70.73
C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029768871	0	50	0.0	-74.59	403.72	4.05	-70.54
C[C@H](NC(=O)CC[NH+]1CCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768873	0	51	0.0	-74.36	399.15	3.76	-70.60
C[C@H](NC(=O)C1=CC=CC=C1C[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768877	0	51	0.0	-65.34	406.71	5.15	-60.19
CC[N@@H+]1CCCCC1C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768889	0	51	0.0	-69.76	386.03	3.44	-66.32
CC[N@H+]1CCCCC1C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768889	1	51	0.0	-68.82	395.70	3.51	-65.31
CC(C)C(C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029768890	0	57	0.0	-69.41	425.70	5.38	-64.03
C[C@H](NC(=O)C(C1=CC=CC=C1)[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768894	1	51	0.0	-71.36	410.32	4.85	-66.51
CC(C)C[N@@H+]1CCC(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029768921	0	54	0.0	-74.02	421.53	4.32	-69.70
CC(C)C[N@H+]1CCC(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029768921	1	54	0.0	-71.23	420.26	4.16	-67.07
C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768925	0	48	0.0	-66.71	368.65	2.64	-64.07
C[C@H](NC(=O)C1CCC[N@@H+]1C1CCOCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768928	0	56	0.0	-72.77	426.50	2.82	-69.95
C[C@H](NC(=O)C1CCC[N@H+]1C1CCOCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768928	1	56	0.0	-73.30	427.33	2.91	-70.39
C[C@H](NC(=O)C(CN1C=CC=N1)[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768930	1	51	0.0	-70.20	408.38	2.62	-67.58
CC(C)[N@@H+]1CCCC1CC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768937	0	54	0.0	-66.07	405.18	3.87	-62.20
CC(C)[N@H+]1CCCC1CC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768937	1	54	0.0	-63.09	405.00	3.25	-59.84
C[C@H](NC(=O)C1CCC[N@@H+]1C1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768938	0	55	0.0	-72.19	407.75	4.50	-67.69
C[C@H](NC(=O)C1CCC[N@H+]1C1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768938	1	55	0.0	-70.59	421.45	4.76	-65.83
CC(C)[C@@H](C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029768968	0	50	0.0	-72.77	378.83	2.88	-69.89
C[C@H](NC(=O)C[N@H+](C)C1CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769041	0	48	0.0	-72.04	381.73	3.34	-68.70
C[C@H](NC(=O)C[N@@H+](C)C1CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769041	1	48	0.0	-71.60	381.83	3.34	-68.26
CC(C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300029769146	0	54	0.0	-67.49	406.28	3.62	-63.87
C[C@H](NC(=O)CCN(C)C1=CC=[NH+]C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769231	0	50	0.0	-71.55	410.33	3.02	-68.53
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769245	1	47	0.0	-71.51	382.32	3.13	-68.38
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769245	1	47	0.0	-68.85	386.83	3.43	-65.42
C[C@H](NC(=O)CCC1CCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769257	0	51	0.0	-72.61	397.67	3.29	-69.32
C[C@H](NC(=O)CCC1CCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769257	1	51	0.0	-76.25	402.97	3.86	-72.39
C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769274	0	52	0.0	-73.54	393.00	3.55	-69.99
C[C@H](NC(=O)C1CCC2CCCC[N@@H+]21)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769282	0	52	0.0	-70.31	397.45	3.87	-66.44
C[C@H](NC(=O)C1CCC2CCCC[N@H+]21)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769282	1	52	0.0	-68.29	403.64	4.18	-64.11
C[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769294	0	55	0.0	-71.44	416.89	2.39	-69.05
CC[NH+](CC)CC1=CC=C(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029769311	0	54	0.0	-76.31	435.72	4.53	-71.78
C[C@H](NC(=O)CCCC[NH+]1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769316	0	54	0.0	-73.94	427.21	4.59	-69.35
C[C@H](NC(=O)C[N@H+](C)CC1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769319	1	51	0.0	-78.33	412.28	4.95	-73.38
C[C@H](NC(=O)C[N@@H+](C)CC1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769319	1	51	0.0	-78.28	412.27	4.95	-73.33
C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769337	0	48	0.0	-72.97	379.04	2.90	-70.07
C[C@H](NC(=O)C1=NOC(C[NH+](C)C)=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769410	1	47	0.0	-80.13	394.71	2.39	-77.74
CC1=C(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300029769412	0	46	0.0	-72.95	379.51	5.23	-67.72
C[C@H](NC(=O)C1CCCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769471	0	48	0.0	-69.74	377.56	2.91	-66.83
C[C@H](NC(=O)C1CCCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769471	1	48	0.0	-70.68	377.41	2.95	-67.73
CC(C)C[N@@H+]1CCCC1C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769508	0	54	0.0	-70.25	420.40	4.51	-65.74
CC(C)C[N@H+]1CCCC1C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769508	1	54	0.0	-70.14	411.91	4.28	-65.86
C[C@H](NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769697	0	43	0.0	-74.07	365.75	4.87	-69.20
CC1=[NH+]C=CN1CCCC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769713	1	49	0.0	-70.90	406.57	4.26	-66.64
C[C@H](NC(=O)CCCC[NH+]1CCOCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769717	1	55	0.0	-77.28	434.15	2.87	-74.41
C[C@H](NC(=O)C1=CC=C(C[NH+](C)C)C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769723	0	51	0.0	-81.11	413.74	4.85	-76.26
C[C@H](NC(=O)CC[NH+]1CCOCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769724	1	49	0.0	-77.72	390.72	1.35	-76.37
C[C@H](NC(=O)C(C)(C1=CC=CC=C1)[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769746	0	54	0.0	-77.82	410.65	4.97	-72.85
CCC[NH+](CCC)CCCC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769754	0	59	0.0	-73.95	458.38	5.48	-68.47
CC[N@H+](C)C(C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029769755	0	54	0.0	-69.99	427.35	5.33	-64.66
CC[N@@H+](C)C(C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029769755	1	54	0.0	-70.74	427.91	5.51	-65.23
CC1=C[NH+]=CN1CC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769782	1	43	0.0	-73.11	365.36	3.70	-69.41
C[C@H](NC(=O)CN1C=[NH+]C2=C1CCCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769796	1	50	0.0	-70.31	406.08	5.32	-64.99
C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769844	0	57	0.0	-77.68	412.98	4.74	-72.94
C[C@H](NC(=O)C1=CC=CC=C1CC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769845	0	54	0.0	-65.95	427.17	5.60	-60.35
C[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769852	0	57	0.0	-75.36	434.30	4.88	-70.48
C[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769852	1	57	0.0	-75.81	434.02	4.95	-70.86
C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769858	0	49	0.0	-68.86	379.05	3.13	-65.73
C[C@H](NC(=O)C1CCCC([NH+](C)C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769902	0	54	0.0	-66.25	406.77	3.83	-62.42
C[C@H](NC(=O)CC1CC[N@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769909	0	48	0.0	-75.11	381.28	2.94	-72.17
C[C@H](NC(=O)CC1CC[N@@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769909	1	48	0.0	-74.88	382.25	2.91	-71.97
C[C@H](NC(=O)C1=C[NH+]=CC=C1N(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769923	0	47	0.0	-80.12	386.16	2.15	-77.97
CCC(C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029769929	0	47	0.0	-70.63	366.01	2.30	-68.33
C[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769954	0	54	0.0	-76.00	399.41	3.79	-72.21
C[C@H](NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770033	1	43	0.0	-78.00	366.03	4.88	-73.12
C[C@H](NC(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770082	1	46	0.0	-82.54	395.29	2.81	-79.73
C[C@H](NC(=O)CCCC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770118	0	50	0.0	-75.22	401.25	3.42	-71.80
CC(C)C(C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029770143	0	50	0.0	-71.13	385.04	3.47	-67.66
CCC[N@H+](C)CCC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770145	0	50	0.0	-75.36	397.48	3.23	-72.13
CCC[N@@H+](C)CCC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770145	1	50	0.0	-75.55	397.20	3.30	-72.25
CCC[N@H+](C)CC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770152	0	47	0.0	-73.83	374.84	2.76	-71.07
CCC[N@@H+](C)CC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770152	1	47	0.0	-73.91	374.84	2.77	-71.14
C[C@H](NC(=O)C12CC[N@H+](C1)CCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770185	0	49	0.0	-73.99	377.03	2.57	-71.42
C[C@H](NC(=O)C12CC[N@@H+](C1)CCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770185	1	49	0.0	-74.38	377.28	2.59	-71.79
C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770261	0	45	0.0	-67.34	359.58	2.31	-65.03
C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770261	1	45	0.0	-72.64	355.76	1.89	-70.75
C[C@H](NC(=O)C1CCC2CC(C)C[N@@H+]2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770292	0	55	0.0	-71.22	423.33	4.69	-66.53
C[C@H](NC(=O)C1CCC2CC(C)C[N@H+]2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770292	1	55	0.0	-65.80	417.98	4.85	-60.95
CCCCCC[N@H+](C)CC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770352	0	56	0.0	-75.02	439.33	5.11	-69.91
CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770352	1	56	0.0	-75.11	439.33	5.12	-69.99
CC[NH+](CC)C(C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300029770364	0	56	0.0	-67.15	410.06	3.89	-63.26
CC[NH+](CC)CC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770377	0	47	0.0	-71.63	371.07	2.69	-68.94
CCC[N@@H+]1CCCC(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029770410	0	54	0.0	-67.40	412.91	4.58	-62.82
CCC[N@H+]1CCCC(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029770410	1	54	0.0	-72.99	419.18	4.37	-68.62
C[C@H](NC(=O)C1CCCC[N@@H+]1C1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770423	0	58	0.0	-68.14	432.47	5.14	-63.00
C[C@H](NC(=O)C1CCCC[N@H+]1C1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770423	1	58	0.0	-68.87	428.36	5.30	-63.57
CC(C)[N@@H+]1CCOC(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029770436	1	52	0.0	-74.86	406.26	2.85	-72.01
CC(C)[N@H+]1CCOC(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029770436	1	52	0.0	-73.49	400.25	2.81	-70.68
C[C@H](NC(=O)C[NH+]1CCC(C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770480	0	51	0.0	-73.93	398.66	3.80	-70.13
C[C@H](NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770514	1	46	0.0	-80.12	394.73	2.79	-77.33
C[C@H](NC(=O)COC1CC[NH+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770524	0	52	0.0	-78.86	415.84	3.37	-75.49
C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770544	0	48	0.0	-75.45	387.87	3.15	-72.30
CC1=[NH+]C=C2CCC(C(=O)N[C@@H](C)C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300029770545	1	50	0.0	-68.00	403.21	4.09	-63.91
CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029770657	0	54	0.0	-74.49	414.52	4.19	-70.30
C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770689	0	48	0.0	-72.97	379.04	2.90	-70.07
CC(C)[C@H](C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029770712	0	50	0.0	-71.28	384.87	3.57	-67.71
CCC(C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029770752	0	53	0.0	-67.13	400.37	3.79	-63.34
CC[N@H+](C)CCC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770856	0	47	0.0	-74.60	375.98	2.49	-72.11
CC[N@@H+](C)CCC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770856	1	47	0.0	-74.90	375.70	2.56	-72.34
C[C@H](NC(=O)C[N@@H+]1CCCC1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770945	0	48	0.0	-71.14	380.83	3.15	-67.99
C[C@H](NC(=O)C[N@H+]1CCCC1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770945	1	48	0.0	-70.41	374.27	2.74	-67.67
C[C@H](NC(=O)C[N@@H+]1CCC(C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770948	0	48	0.0	-72.87	380.79	3.05	-69.82
C[C@H](NC(=O)C[N@H+]1CCC(C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770948	1	48	0.0	-72.78	381.82	3.01	-69.77
C[C@H](NC(=O)C1(F)CC[N@@H+](C(C)(C)C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770949	0	54	0.0	-67.94	417.93	3.67	-64.27
C[C@H](NC(=O)C1(F)CC[N@H+](C(C)(C)C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770949	1	54	0.0	-68.48	417.71	3.64	-64.84
CC1=[NH+]C=C2CC(C(=O)N[C@@H](C)C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300029770951	1	50	0.0	-71.39	404.10	4.08	-67.31
C[C@H](NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770953	0	54	0.0	-81.73	436.24	5.68	-76.05
C[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770955	0	51	0.0	-69.86	399.36	3.39	-66.47
C[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770955	1	51	0.0	-73.06	400.56	3.62	-69.44
C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770956	0	53	0.0	-73.62	405.49	3.92	-69.70
C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770956	1	53	0.0	-73.46	405.32	3.85	-69.61
C[C@H](NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770957	0	54	0.0	-77.99	434.74	5.80	-72.19
C[C@H](NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770957	1	54	0.0	-77.86	434.74	5.80	-72.06
CC[C@@H](C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029770969	0	47	0.0	-70.88	365.93	2.38	-68.50
CC(COCC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300029770977	0	55	0.0	-71.37	434.19	4.11	-67.26
C[C@H](NC(=O)C1CC[NH+](CC2CC2)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771094	0	55	0.0	-77.18	429.38	5.21	-71.97
C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771157	0	55	0.0	-80.95	438.70	5.73	-75.22
C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771157	1	55	0.0	-82.03	436.01	5.74	-76.29
C[C@H](NC(=O)CC1(O)CC[NH+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771268	0	52	0.0	-74.58	405.98	1.67	-72.91
COCC[N@@H+]1CCCC1CC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771277	0	55	0.0	-74.09	424.67	2.66	-71.43
COCC[N@H+]1CCCC1CC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771277	1	55	0.0	-71.56	434.17	2.76	-68.80
C[C@H](NC(=O)C[NH+]1CCC(CO)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771290	0	52	0.0	-75.49	409.27	0.54	-74.95
C[C@H](NC(=O)C[NH+]1CCCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771294	0	51	0.0	-73.33	386.91	3.40	-69.93
C[C@H](NC(=O)C[N+]1=CN(C)C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771299	0	43	0.0	-68.09	365.72	4.76	-63.33
C[C@H](NC(=O)C1CCC[N@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771312	0	48	0.0	-71.40	379.03	2.76	-68.64
C[C@H](NC(=O)C1CCC[N@@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771312	1	48	0.0	-73.48	380.48	2.90	-70.58
C[C@H](NC(=O)C1CCC[N@@H+]1C1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771317	0	49	0.0	-65.62	391.95	3.66	-61.96
C[C@H](NC(=O)C1CCC[N@H+]1C1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771317	1	49	0.0	-65.97	386.79	3.59	-62.38
CC(C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029771358	1	45	0.0	-71.09	363.55	2.45	-68.64
CCC(CC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029771370	0	53	0.0	-74.73	406.28	3.87	-70.86
C[C@H](NC(=O)C(C)(C)C[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771379	0	50	0.0	-72.95	386.21	3.12	-69.83
C[C@H](NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771403	0	50	0.0	-71.13	391.61	3.92	-67.21
C[C@H](NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771403	1	50	0.0	-72.22	389.70	4.26	-67.96
C[C@H](NC(=O)C[NH+]1CCC(O)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771431	1	49	0.0	-77.52	388.70	-0.13	-77.65
C[C@H](NC(=O)C[N@H+](C)C1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771433	0	45	0.0	-71.51	365.00	2.76	-68.75
C[C@H](NC(=O)C[N@@H+](C)C1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771433	1	45	0.0	-70.86	364.86	2.76	-68.10
CC(C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300029771434	1	53	0.0	-72.72	406.55	1.18	-71.54
C[C@H](NC(=O)CC1C[NH+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771470	0	45	0.0	-74.20	367.35	2.10	-72.10
C[C@H](NC(=O)C1CC[N@@H+]1C1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771474	0	52	0.0	-71.95	401.26	3.85	-68.10
C[C@H](NC(=O)C1CC[N@H+]1C1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771474	1	52	0.0	-73.38	406.23	4.13	-69.25
C[C@H](NC(=O)C1CC[N@@H+]1C(C)(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771483	0	51	0.0	-71.30	380.51	2.62	-68.68
C[C@H](NC(=O)C1CC[N@H+]1C(C)(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771483	1	51	0.0	-70.56	380.98	2.39	-68.17
C[C@H](NC(=O)C1CCN(C2=CC=[NH+]C=C2)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771496	0	51	0.0	-76.85	413.93	2.05	-74.80
C[C@H](NC(=O)[C@H](C)[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771500	0	44	0.0	-72.20	353.61	1.80	-70.40
CCC1CCC[N@H+](CC(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029771559	0	54	0.0	-72.68	409.11	4.02	-68.66
CCC1CCC[N@@H+](CC(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029771559	1	54	0.0	-73.77	416.86	4.40	-69.37
C[C@H](NC(=O)C1=CC=C(C[NH+](C)C)N1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771569	0	49	0.0	-82.58	402.20	2.78	-79.80
C[C@H](NC(=O)CC1CC2CCC(C1)[NH+]2C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771586	0	55	0.0	-73.26	401.40	3.82	-69.44
C[C@H](NC(=O)CC(C1=CC=CC=C1)[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771593	0	54	0.0	-78.17	425.56	5.28	-72.89
C[C@H](NC(=O)CN1C=CSC1=[NH2+])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771641	0	41	0.0	-69.68	362.68	1.54	-68.14
C[C@H](NC(=O)CC[N@H+](C)CCO)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771654	0	48	0.0	-74.30	386.34	-0.72	-75.02
C[C@H](NC(=O)CC[N@@H+](C)CCO)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771654	1	48	0.0	-74.38	386.08	-0.64	-75.02
C[C@H](NC(=O)[C@H](C)[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771655	0	44	0.0	-72.20	353.61	1.80	-70.40
C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771660	0	48	0.0	-70.02	377.42	2.95	-67.07
C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771660	1	48	0.0	-70.99	368.10	2.78	-68.21
C[C@H](NC(=O)C1C[N@@H+]2CCN1CC2C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771671	0	51	0.0	-78.29	387.02	0.14	-78.15
C[C@H](NC(=O)C1C[N@H+]2CCN1CC2C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771671	1	51	0.0	-77.53	387.01	0.24	-77.29
COC1C[N@@H+]2CCCC2(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029771725	0	53	0.0	-72.67	413.66	2.07	-70.60
COC1C[N@H+]2CCCC2(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029771725	1	53	0.0	-74.06	413.50	2.33	-71.73
C[C@H](NC(=O)CC1=CC2=C[NH+]=CN2C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771743	0	46	0.0	-72.39	390.01	5.53	-66.86
C[C@H](NC(=O)C[N@H+](C)C1CCSC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771780	0	49	0.0	-79.99	394.94	3.58	-76.41
C[C@H](NC(=O)C[N@@H+](C)C1CCSC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771780	1	49	0.0	-79.18	394.94	3.60	-75.58
C[C@H](NC(=O)C[NH+]1CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771781	1	42	0.0	-73.83	345.68	1.77	-72.06
C[C@H](NC(=O)C1=CC=NC(C[NH+](C)C)=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771825	1	50	0.0	-73.15	409.74	3.00	-70.15
C[C@H](NC(=O)C=C1CC[N@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771827	0	46	0.0	-76.06	374.74	2.82	-73.24
C[C@H](NC(=O)C=C1CC[N@@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771827	1	46	0.0	-76.55	374.44	2.89	-73.66
C[C@H](NC(=O)C1C[NH+](C2CCCCC2)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771858	0	55	0.0	-74.11	427.12	4.71	-69.40
C[C@H](NC(=O)COCC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771879	0	48	0.0	-72.68	391.29	2.40	-70.28
CCCCC[N@H+](C)CCC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771887	0	56	0.0	-76.55	440.20	4.87	-71.68
CCCCC[N@@H+](C)CCC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771887	1	56	0.0	-76.23	440.48	4.79	-71.44
C[C@H](NC(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771899	0	52	0.0	-73.67	414.11	3.33	-70.34
C=CCC(C)(C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029771911	0	51	0.0	-67.94	390.43	3.40	-64.54
C[C@H](NC(=O)C(O)CC[S+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771916	0	47	0.0	-78.02	400.74	0.94	-77.08
C[C@H](NC(=O)C1(C)CC(O)C[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771959	0	49	0.0	-77.64	380.08	-0.67	-78.31
C[C@H](NC(=O)C1CN(C)CC[N@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771974	0	53	0.0	-70.89	407.01	1.02	-69.87
C[C@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771974	1	53	0.0	-70.89	407.01	1.02	-69.87
CC(C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300029771975	0	52	0.0	-71.16	404.54	0.46	-70.70
C[C@H](NC(=O)CC1(O)CCC[N@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772004	0	52	0.0	-68.82	396.10	1.50	-67.32
C[C@H](NC(=O)CC1(O)CCC[N@@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772004	1	52	0.0	-68.82	396.10	1.50	-67.32
C[C@H](NC(=O)CN1CC(C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772008	0	45	0.0	-71.25	364.53	2.31	-68.94
C[C@H](NC(=O)C[NH+]1CC(C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772008	1	45	0.0	-71.25	364.53	2.31	-68.94
C[C@H](NC(=O)CN(C)CCO)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772040	0	45	0.0	-74.44	363.69	-1.21	-75.65
C[C@H](NC(=O)C[N@H+](C)CCO)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772040	1	45	0.0	-73.97	363.83	-1.18	-75.15
C[C@H](NC(=O)C[N@@H+](C)CCO)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772040	1	45	0.0	-73.97	363.83	-1.18	-75.15
C[C@H](NC(=O)C=C1CC2CCC(C1)[NH+]2C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772073	0	53	0.0	-70.79	407.49	4.10	-66.69
C[C@H](NC(=O)C1C[N@@H+]2CCN1CCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772078	0	51	0.0	-81.07	382.60	1.17	-79.90
C[C@H](NC(=O)C1C[N@H+]2CCN1CCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772078	1	51	0.0	-81.07	382.60	1.17	-79.90
CC[N@@H+]1CCCC(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029772089	0	51	0.0	-67.43	391.41	3.84	-63.59
CC[N@H+]1CCCC(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029772089	1	51	0.0	-67.43	391.41	3.84	-63.59
CC(CC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029772091	0	50	0.0	-77.71	392.93	3.25	-74.46
CC[N@H+](C)CC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772109	0	44	0.0	-73.52	353.34	2.03	-71.49
C[C@H](NC(=O)C12CCC[N@@H+]1CCCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772141	0	52	0.0	-65.30	389.70	3.76	-61.54
C[C@H](NC(=O)C12CCC[N@H+]1CCCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772141	1	52	0.0	-65.30	389.70	3.76	-61.54
C[C@H](NC(=O)C12CCC[N@@H+]1CC=CC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772151	0	50	0.0	-67.30	382.93	3.65	-63.65
C[C@H](NC(=O)C12CCC[N@H+]1CC=CC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772151	1	50	0.0	-67.30	382.93	3.65	-63.65
CC[N@H+](CC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029772184	0	48	0.0	-70.97	381.53	3.32	-67.65
CC[NH+](CC)CCC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772209	0	50	0.0	-73.95	389.28	2.95	-71.00
C[C@H](NC(=O)CN1CC(C)(C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772250	0	48	0.0	-73.59	386.28	2.85	-70.74
C[C@H](NC(=O)C[NH+]1CC(C)(C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772250	1	48	0.0	-73.59	386.28	2.85	-70.74
C[C@H](NC(=O)CCCC[NH+]1CCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772256	0	57	0.0	-74.33	442.14	5.34	-68.99
C[C@H](NC(=O)C[N@@H+]1CCC(C)(O)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772294	0	49	0.0	-73.01	391.63	-0.22	-73.23
C[C@H](NC(=O)C=CC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772307	0	45	0.0	-77.46	372.83	2.63	-74.83
CC(OCC[NH+](C)C)C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772338	0	51	0.0	-73.49	410.46	3.16	-70.33
C[C@H](NC(=O)CCOCC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772351	0	51	0.0	-73.38	412.25	2.14	-71.24
COCCN(C)CC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772352	0	48	0.0	-73.68	386.08	1.21	-72.47
COCC[N@H+](C)CC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772352	1	48	0.0	-74.71	385.94	1.19	-73.52
COCC[N@@H+](C)CC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772352	1	48	0.0	-74.71	385.94	1.19	-73.52
COCCCC[N@H+](C)CCC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772390	0	57	0.0	-79.36	452.37	3.15	-76.21
COCCCC[N@@H+](C)CCC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772390	1	57	0.0	-79.36	452.37	3.15	-76.21
C[C@H](NC(=O)C1([NH+](C)C)CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772418	0	51	0.0	-76.70	387.26	3.95	-72.75
CC(CCC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029772421	0	50	0.0	-72.89	392.99	3.00	-69.89
CCN1CCC1C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772432	0	45	0.0	-69.74	358.32	2.10	-67.64
CC[N@@H+]1CCC1C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772432	1	45	0.0	-71.46	360.54	1.92	-69.54
CC[N@H+]1CCC1C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772432	1	45	0.0	-71.46	360.54	1.92	-69.54
CC(C)[N@@H+]1CCCC(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029772448	0	54	0.0	-66.82	408.22	4.36	-62.46
CC(C)[N@H+]1CCCC(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029772448	1	54	0.0	-66.82	408.22	4.36	-62.46
C[C@H](NC(=O)C1CCN(C2=NC=CN2C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772449	0	52	0.0	-65.17	416.03	3.65	-61.52
C[C@H](NC(=O)C1CCN(C2=[NH+]C=CN2C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772449	1	52	0.0	-65.17	416.03	3.65	-61.52
CC(C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300029772456	0	54	0.0	-74.34	430.49	5.39	-68.95
C[C@H](NC(=O)C[N@@H+]1CCCC1CO)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772465	0	49	0.0	-72.64	390.26	-0.10	-72.74
C[C@H](NC(=O)C1CC2CCCC[N@@H+]2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772498	0	52	0.0	-70.51	402.63	4.08	-66.43
C[C@H](NC(=O)C1CC2CCCC[N@H+]2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772498	1	52	0.0	-70.51	402.63	4.08	-66.43
C[C@H](NC(=O)C1(C)CC[NH+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772509	0	51	0.0	-72.87	392.69	3.41	-69.46
C=CCC(C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029772559	0	48	0.0	-69.91	378.66	2.85	-67.06
C[C@H](NC(=O)C12CCC([NH+](C)C)(CC1)CC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772572	0	58	0.0	-78.26	425.26	4.58	-73.68
C[C@H](NC(=O)C1CC(C)(C)C[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772580	0	51	0.0	-69.72	401.46	3.39	-66.33
C[C@H](NC(=O)CCCCC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772585	0	53	0.0	-74.53	422.75	4.19	-70.34
C[C@H](NC(=O)C1CCC1[N@@H+]1CCOC(C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772618	0	56	0.0	-71.79	424.16	3.64	-68.15
C[C@H](NC(=O)C1C[N@@H+]2CCN1C(C)C2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772646	0	51	0.0	-79.39	388.29	0.37	-79.02
CCCC(C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029772648	0	50	0.0	-72.10	390.03	3.27	-68.83
C[C@H](NC(=O)C(C)(C)[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772654	0	47	0.0	-75.50	362.70	2.53	-72.97
CC[NH+](CC)CCSCC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772703	0	54	0.0	-76.35	433.81	4.34	-72.01
C[C@H](NC(=O)C1CCCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772715	0	48	0.0	-70.68	377.41	2.95	-67.73
C[C@H](NC(=O)CC1=CC[N@H+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772777	0	49	0.0	-69.28	393.60	3.46	-65.82
C[C@H](NC(=O)CC1=CC[N@@H+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772777	1	49	0.0	-69.28	393.60	3.46	-65.82
C[C@H](NC(=O)CC1([NH+]2CCCC2)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772790	0	52	0.0	-70.30	400.76	4.10	-66.20
C[C@H](NC(=O)C1(C[NH+]2CCCC2)CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772817	0	58	0.0	-76.55	435.49	5.16	-71.39
C[C@H](NC(=O)C(C)(C)C1CCC[N@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772857	0	57	0.0	-72.11	424.45	4.27	-67.84
C[C@H](NC(=O)C(C)(C)C1CCC[N@@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772857	1	57	0.0	-74.41	425.88	4.39	-70.02
C[C@H](NC(=O)C1=CC=C(C[NH+](C)C)O1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772862	1	48	0.0	-79.21	400.17	3.16	-76.05
C[C@H](NC(=O)C1=CC=C(C[NH+](C)C)N=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772868	0	50	0.0	-77.90	409.51	2.99	-74.91
C[C@H](NC(=O)C1=CC=C(C[NH+]2CCCC2)O1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772885	0	52	0.0	-77.87	425.56	4.29	-73.58
C[C@H](NC(=O)C=CC[NH+]1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772889	0	49	0.0	-76.27	397.90	3.79	-72.48
C[C@H](NC(=O)C1CC[NH+](C2CC2)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772921	0	52	0.0	-74.30	405.01	4.21	-70.09
C[C@H](NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772946	0	48	0.0	-78.47	391.82	3.21	-75.26
C[C@H](NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772946	1	48	0.0	-79.13	399.33	3.16	-75.97
C[C@H](NC(=O)C1([NH+](C)C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772948	0	45	0.0	-70.82	358.30	2.14	-68.68
C[C@H](NC(=O)CC[NH+]1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772952	0	48	0.0	-74.70	383.20	3.04	-71.66
C[C@H](NC(=O)C1CC(=O)N(C2C[NH+](C)C2)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772963	1	53	0.0	-73.54	423.05	1.87	-71.67
C[C@H](NC(=O)C1C[NH+]2CCN1CC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773014	0	48	0.0	-78.60	371.92	-0.23	-78.83
C[C@H](NC(=O)C12CC(C1)C[N@@H+]2C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773025	0	46	0.0	-75.83	366.06	2.53	-73.30
C[C@H](NC(=O)C12CC(C1)C[N@H+]2C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773025	1	46	0.0	-70.34	366.49	2.35	-67.99
CC1=C(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C=NN1CC[NH+](C)C	REAL300029773041	0	54	0.0	-80.72	436.01	3.25	-77.47
C[C@H](NC(=O)C[N@@H+]1CC2CCC1C2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773044	0	49	0.0	-70.75	379.78	3.19	-67.56
C[C@H](NC(=O)C[N@H+]1CC2CCC1C2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773044	1	49	0.0	-71.21	379.61	3.27	-67.94
CC(C)[NH+]1CCC(CC(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029773061	0	57	0.0	-70.15	433.11	4.92	-65.23
C[C@H](NC(=O)C=C1C[NH+]2CCC1CC2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773116	0	50	0.0	-69.67	392.02	3.67	-66.00
C[C@H](NC(=O)C[N@@H+]1CC2C=CC1C2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773129	1	47	0.0	-71.88	375.44	3.34	-68.54
C[C@H](NC(=O)C[N@H+]1CC2C=CC1C2)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773129	1	47	0.0	-68.84	373.70	3.14	-65.70
C[C@H](NC(=O)C(C[NH+](C)C)C1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773172	0	54	0.0	-72.17	433.63	5.40	-66.77
CC[NH+]1CCN(CC(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029773175	0	53	0.0	-72.51	411.84	1.49	-71.02
CC(C[NH+](C)C)C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773206	0	47	0.0	-74.20	373.87	2.61	-71.59
C[C@H](NC(=O)CC1CCCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773318	0	51	0.0	-66.94	387.33	3.42	-63.52
C[C@H](NC(=O)CC1CCCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773318	1	51	0.0	-67.72	387.38	3.42	-64.30
CC1=C2C=C(C(=O)N[C@@H](C)C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029773341	1	46	0.0	-76.11	387.94	5.44	-70.67
CC(C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300029773342	1	48	0.0	-70.89	384.78	3.05	-67.84
C[C@H](NC(=O)C[N@@H+]1CCC1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773346	1	45	0.0	-72.64	366.93	2.43	-70.21
C[C@H](NC(=O)C[N@H+]1CCC1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773346	1	45	0.0	-68.39	360.22	1.94	-66.45
C[C@H](NC(=O)CC(O)C[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773351	0	48	0.0	-77.70	388.36	0.32	-77.38
C[C@H](NC(=O)C1C[N@H+](C)CC(C)O1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773392	1	49	0.0	-83.33	394.51	2.46	-80.87
C[C@H](NC(=O)C1C[N@@H+](C)CC(C)O1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773392	1	49	0.0	-84.40	386.76	2.12	-82.28
C[C@H](NC(=O)CC[NH+]1CCC(O)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773406	0	52	0.0	-77.97	410.52	0.33	-77.64
CCC[N@@H+]1CCCCC1C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773409	0	54	0.0	-70.33	407.56	4.18	-66.15
CCC[N@H+]1CCCCC1C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773409	1	54	0.0	-70.30	407.32	4.18	-66.12
CC[NH+]1CCN(CCC(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029773413	0	56	0.0	-75.18	433.04	1.86	-73.32
CCN1CC[NH+](CCC(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029773413	1	56	0.0	-75.85	434.07	2.00	-73.85
C[C@H](NC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773416	0	55	0.0	-73.79	405.95	4.13	-69.66
C[C@H](NC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773416	1	55	0.0	-66.39	410.11	4.83	-61.56
CC(C)C[NH+]1CCC(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029773470	0	57	0.0	-72.71	435.52	4.98	-67.73
C[C@H](NC(=O)CN1CCC([NH+](C)C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773503	0	56	0.0	-73.44	428.92	2.06	-71.38
C[C@H](NC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773528	0	48	0.0	-73.39	385.13	3.09	-70.30
CC(CC[NH+](C)C)C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773538	0	50	0.0	-74.10	395.93	3.16	-70.94
C[C@H](NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773576	0	52	0.0	-68.62	405.11	0.53	-68.09
C[C@H](NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773576	1	52	0.0	-68.76	405.47	0.36	-68.40
C#CC[N@H+]1CCCCC1C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773586	1	50	0.0	-70.01	403.03	4.09	-65.92
C#CC[N@@H+]1CCCCC1C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773586	1	50	0.0	-70.89	393.57	3.99	-66.90
C[C@H](NC(=O)C(CC1=CC=CC=C1)[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773592	0	54	0.0	-76.92	422.10	5.21	-71.71
C[C@H](NC(=O)CN1CC[NH+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773594	1	50	0.0	-73.67	394.61	0.86	-72.81
CC[NH+]1CCN(CC(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029773607	0	53	0.0	-72.51	411.84	1.49	-71.02
C[C@H](NC(=O)CSC(N)=[NH2+])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773640	0	39	0.0	-75.01	343.81	-1.77	-76.78
CC[N@@H+]1CCOCC1CC(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773694	0	52	0.0	-77.12	403.01	1.92	-75.20
C[C@H](NC(=O)C1(CC[NH+](C)C)CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773716	0	57	0.0	-74.73	437.42	4.94	-69.79
C[C@H](NC(=O)CC[NH+]1C(C)CCCC1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773718	0	57	0.0	-71.67	426.26	4.46	-67.21
C[C@H](NC(=O)C1CCC([NH+](C)C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773721	0	54	0.0	-77.39	414.41	4.18	-73.21
C[C@H](NC(=O)C1(CC[NH+](C)C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773722	0	51	0.0	-79.53	407.29	4.04	-75.49
C[C@H](NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773726	0	54	0.0	-68.64	407.88	4.05	-64.59
C[C@H](NC(=O)CC1CC=CC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773727	0	49	0.0	-76.14	386.48	3.49	-72.65
C[C@H](NC(=O)CC1CC=CC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773727	1	49	0.0	-76.14	386.48	3.49	-72.65
C[C@@H](OCC[NH+](C)C)C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773764	0	51	0.0	-71.09	411.28	3.12	-67.97
C[C@H](NC(=O)C1CC2CCC(C1)[NH+]2C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773808	0	52	0.0	-70.56	371.95	3.54	-67.02
C[C@H](NC(=O)C1(C2(O)CC[NH+](C)CC2)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773936	0	56	0.0	-70.48	425.97	2.31	-68.17
C[C@H](NC(=O)C1(CC[NH+]2CCCCC2)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773965	0	58	0.0	-71.13	451.76	5.69	-65.44
CC(C(=O)N[C@@H](C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300029773991	1	49	0.0	-74.54	394.82	3.36	-71.18
CCC1C[NH+](CC(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029773994	1	48	0.0	-74.62	387.90	3.20	-71.42
C[C@H](NC(=O)C1C[NH+](C2CCOCC2)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773996	0	53	0.0	-78.54	419.14	2.23	-76.31
C[C@H](NC(=O)C1([NH+]2CCCC2)CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773998	0	52	0.0	-68.67	394.38	3.83	-64.84
C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029774010	0	45	0.0	-73.02	355.98	1.82	-71.20
C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029774010	1	45	0.0	-68.03	360.28	2.19	-65.84
C[C@H](NC(=O)CC[N@@H+]1CCC(F)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029774020	0	48	0.0	-79.08	389.48	3.10	-75.98
C[C@H](NC(=O)CC[N@H+]1CCC(F)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029774020	1	48	0.0	-79.08	389.51	3.10	-75.98
COC1C[N@H+](C)C(C)(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029774031	0	52	0.0	-74.12	404.03	1.88	-72.24
COC1C[N@@H+](C)C(C)(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029774031	1	52	0.0	-76.22	402.41	2.40	-73.82
C[C@H](NC(=O)CC[NH+]1CCCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029774045	0	54	0.0	-76.29	409.63	4.00	-72.29
C[C@H](NC(=O)C[NH+]1CCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029774049	0	48	0.0	-73.36	377.32	3.22	-70.14
C[C@H](NC(=O)C1CC[N@H+](C)C1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029774059	0	48	0.0	-77.05	372.15	2.35	-74.70
C[C@H](NC(=O)C1CC[N@@H+](C)C1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029774059	1	48	0.0	-74.25	377.76	2.84	-71.41
C[C@H](NC(=O)CCC1CCCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029774062	0	54	0.0	-72.31	416.47	4.26	-68.05
C[C@H](NC(=O)CCC1CCCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029774062	1	54	0.0	-72.49	417.06	4.30	-68.19
C[C@H](NC(=O)C1CC[N@@H+]2CCOCC12)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029774107	0	50	0.0	-72.66	392.11	1.53	-71.13
C[C@H](NC(=O)C1CC[N@H+]2CCOCC12)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029774107	1	50	0.0	-77.34	394.37	1.62	-75.72
CC1=[NH+]C=C2C=CC(C(=O)N[C@@H](C)C3CN(C(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300029774116	0	46	0.0	-70.47	387.17	4.64	-65.83
C[C@H](NC(=O)CC1COCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029774139	1	49	0.0	-70.12	378.59	1.02	-69.10
C[C@H](NC(=O)CC1COCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029774139	1	49	0.0	-79.29	386.32	1.19	-78.10
CC1=C(C)[NH+]=C(CCC(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029774153	1	49	0.0	-68.69	406.15	2.56	-66.13
C[C@H](NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029774166	0	54	0.0	-74.68	435.09	5.47	-69.21
C[C@H](NC(=O)C1CC[N@@H+]1CC1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029774171	1	52	0.0	-76.30	427.36	5.28	-71.02
C[C@H](NC(=O)C1CC[N@H+]1CC1=CC=CC=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029774171	1	52	0.0	-72.57	420.24	5.10	-67.47
CC(C)C[N@@H+]1CCCC(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029774175	0	57	0.0	-73.14	437.09	5.10	-68.04
CC(C)C[N@H+]1CCCC(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029774175	1	57	0.0	-72.33	436.78	5.08	-67.25
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@@H+]2C)C1	REAL300029774334	0	45	0.0	-70.16	361.16	2.43	-67.73
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@H+]2C)C1	REAL300029774334	1	45	0.0	-71.60	356.59	1.96	-69.64
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@H+](C)CCO2)C1	REAL300029774359	1	46	0.0	-79.06	363.38	1.61	-77.45
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@@H+](C)CCO2)C1	REAL300029774359	1	46	0.0	-75.61	365.48	1.62	-73.99
CC1=[NH+]C=CN1CCCC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029774532	1	49	0.0	-72.11	408.74	4.30	-67.81
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300029774536	1	55	0.0	-79.24	436.03	2.99	-76.25
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(C[NH+](C)C)C=C2)C1	REAL300029774542	0	51	0.0	-75.18	410.42	4.32	-70.86
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[NH+]2CCOCC2)C1	REAL300029774543	1	49	0.0	-78.41	392.73	1.49	-76.92
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C2=CC=CC=C2)[NH+](C)C)C1	REAL300029774565	0	54	0.0	-78.49	406.27	4.85	-73.64
CCC[NH+](CCC)CCCC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029774573	0	59	0.0	-75.56	455.52	5.38	-70.18
CC[N@H+](C)C(C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029774574	0	54	0.0	-63.39	427.11	5.26	-58.13
CC[N@@H+](C)C(C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029774574	1	54	0.0	-69.04	427.32	5.43	-63.61
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300029774595	0	49	0.0	-69.01	378.60	2.93	-66.08
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300029774615	1	43	0.0	-72.39	362.49	4.35	-68.04
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC([NH+](C)C)C2)C1	REAL300029774705	0	54	0.0	-68.94	405.60	3.68	-65.26
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CC[N@H+](C)C2)C1	REAL300029774712	0	48	0.0	-77.14	384.12	2.99	-74.15
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CC[N@@H+](C)C2)C1	REAL300029774712	1	48	0.0	-77.98	384.01	3.06	-74.92
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C[NH+]=CC=C2N(C)C)C1	REAL300029774726	0	47	0.0	-71.58	385.31	1.47	-70.11
CCC(C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029774732	0	47	0.0	-69.86	367.15	2.36	-67.50
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)C1	REAL300029774742	1	46	0.0	-75.01	394.04	2.74	-72.27
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC3CC(C)C[N@@H+]3C2)C1	REAL300029774799	0	55	0.0	-65.91	425.42	4.50	-61.41
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC3CC(C)C[N@H+]3C2)C1	REAL300029774799	1	55	0.0	-66.20	416.82	4.76	-61.44
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCCC[NH+](C)C)C1	REAL300029774839	0	50	0.0	-77.43	402.83	3.62	-73.81
CC(C)C(C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029774866	0	50	0.0	-71.80	381.64	2.92	-68.88
CCC[N@H+](C)CCC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029774868	0	50	0.0	-76.39	399.36	3.36	-73.03
CCC[N@@H+](C)CCC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029774868	1	50	0.0	-76.32	399.36	3.35	-72.97
CCC[N@H+](C)CC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029774875	0	47	0.0	-73.12	376.69	2.87	-70.25
CCC[N@@H+](C)CC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029774875	1	47	0.0	-73.13	376.69	2.87	-70.26
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300029774908	0	49	0.0	-71.13	372.22	2.26	-68.87
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300029774908	1	49	0.0	-76.60	374.16	2.40	-74.20
CCCCCC[N@H+](C)CC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029774964	0	56	0.0	-74.35	441.18	5.22	-69.13
CCCCCC[N@@H+](C)CC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029774964	1	56	0.0	-68.06	440.09	5.04	-63.02
CC[NH+](CC)C(C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300029774976	0	56	0.0	-71.52	413.66	4.51	-67.01
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CCC(C)CC2)C1	REAL300029775024	0	51	0.0	-73.27	400.35	3.87	-69.40
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300029775058	1	46	0.0	-81.34	392.35	2.47	-78.87
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)COC2CC[NH+](C)CC2)C1	REAL300029775068	0	52	0.0	-81.40	417.69	3.52	-77.88
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300029775144	0	52	0.0	-67.30	402.09	3.94	-63.36
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300029775144	1	52	0.0	-70.86	404.65	4.10	-66.76
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C[NH+](C)C)CC2)C1	REAL300029775165	0	48	0.0	-77.16	386.26	3.14	-74.02
CC1=[NH+]C=C2CCC(C(=O)N3CC([C@H](C)NC(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300029775166	1	50	0.0	-69.75	404.80	3.87	-65.88
CC(C)[NH+]1CCC(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029775179	0	54	0.0	-77.13	408.42	3.79	-73.34
CC[N@H+](C)CCC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029775219	0	47	0.0	-75.64	377.86	2.59	-73.05
CC[N@@H+](C)CCC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029775219	1	47	0.0	-75.60	377.86	2.61	-72.99
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C1	REAL300029775262	0	54	0.0	-63.69	401.17	4.23	-59.46
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1	REAL300029775265	0	58	0.0	-74.35	442.37	5.25	-69.10
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1	REAL300029775265	1	58	0.0	-75.04	438.63	5.11	-69.93
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300029775283	0	49	0.0	-79.92	377.43	3.18	-76.74
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[NH+](C)CC2)C1	REAL300029775388	0	48	0.0	-79.69	379.60	2.92	-76.77
CC(C)[C@H](C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029775411	0	50	0.0	-65.74	379.73	3.11	-62.63
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C1	REAL300029775519	0	55	0.0	-80.60	428.73	5.06	-75.54
CC[NH+](CC)CC(F)C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029775573	0	50	0.0	-76.16	400.05	3.35	-72.81
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(C[NH+](C)C)C=CS2)C1	REAL300029775574	0	48	0.0	-62.77	397.88	3.58	-59.19
CC(C)C[N@@H+]1CCC(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029775624	0	54	0.0	-74.78	419.61	4.36	-70.42
CC(C)C[N@H+]1CCC(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029775624	1	54	0.0	-74.22	418.96	4.33	-69.89
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2([NH+](C)C)CCC2)C1	REAL300029775628	0	48	0.0	-74.94	368.11	2.51	-72.43
CCC(C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029775670	0	53	0.0	-66.29	399.33	3.65	-62.64
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+]2CCCC2C)C1	REAL300029775703	0	48	0.0	-69.48	376.12	2.83	-66.65
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+]2CCCC2C)C1	REAL300029775703	1	48	0.0	-63.61	375.06	2.64	-60.97
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029775816	1	52	0.0	-68.81	423.22	4.53	-64.28
CC(C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300029775824	0	54	0.0	-63.28	405.13	3.68	-59.60
CC(C)[N@@H+]1CCCCC1C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029775827	0	54	0.0	-67.48	409.87	4.02	-63.46
CC(C)[N@H+]1CCCCC1C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029775827	1	54	0.0	-67.15	409.95	3.95	-63.20
CC(C)[N@@H+]1CCCC1C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029775863	0	51	0.0	-70.32	388.70	3.83	-66.49
CC(C)[N@H+]1CCCC1C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029775863	1	51	0.0	-68.13	396.06	3.43	-64.70
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@@H+]2C2CCOCC2)C1	REAL300029775872	0	56	0.0	-72.97	427.46	2.87	-70.10
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@H+]2C2CCOCC2)C1	REAL300029775872	1	56	0.0	-72.35	427.09	2.80	-69.55
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(CN2C=CC=N2)[NH+](C)C)C1	REAL300029775874	1	51	0.0	-67.18	410.58	2.60	-64.58
CC(C)[N@@H+]1CCCC1CC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029775881	0	54	0.0	-65.71	414.61	3.89	-61.82
CC(C)[N@H+]1CCCC1CC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029775881	1	54	0.0	-66.45	406.27	3.53	-62.92
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C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(CC[NH+](C)C)C=C2)C1	REAL300029775955	0	54	0.0	-76.01	432.92	5.17	-70.84
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C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1	REAL300029775957	1	51	0.0	-71.94	402.64	3.61	-68.33
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+](C)CC(C)(C)C)C1	REAL300029775958	0	53	0.0	-66.36	406.15	3.83	-62.53
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CC[C@@H](C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029775971	0	47	0.0	-64.36	364.65	2.23	-62.13
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C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C2=CC=CC=C2)C1	REAL300029775993	0	55	0.0	-72.05	437.27	5.58	-66.47
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C2=CC=CC=C2)C1	REAL300029775993	1	55	0.0	-84.48	435.54	5.65	-78.83
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCN(C)C2=CC=[NH+]C=C2)C1	REAL300029776166	0	50	0.0	-71.82	412.18	3.14	-68.68
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CC(C[NH+]1CCOCC1)C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029776310	0	52	0.0	-76.58	406.16	1.97	-74.61
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC[NH+]2CCCCC2)C1	REAL300029776333	0	54	0.0	-75.35	423.27	4.63	-70.72
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NOC(C[NH+](C)C)=C2)C1	REAL300029776359	1	47	0.0	-77.17	392.50	2.28	-74.89
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CC(C)C1=[NH+]C=CN1CC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029776425	1	49	0.0	-63.09	402.17	4.07	-59.02
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300029776490	0	52	0.0	-66.73	404.18	4.23	-62.50
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300029776490	1	52	0.0	-63.31	390.22	3.52	-59.79
CC[N@@H+]1CCOC(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029776539	1	49	0.0	-74.31	386.81	2.32	-71.99
CC[N@H+]1CCOC(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029776539	1	49	0.0	-74.86	383.30	2.26	-72.60
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300029776633	0	43	0.0	-69.46	362.20	4.33	-65.13
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C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN(CC[NH+](C)C)N=C2)C1	REAL300029776644	0	51	0.0	-82.42	417.37	2.53	-79.89
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C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	REAL300029776669	0	48	0.0	-79.27	373.91	2.45	-76.82
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	REAL300029776669	1	48	0.0	-75.99	379.41	3.07	-72.92
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029776673	1	52	0.0	-68.85	423.71	4.61	-64.24
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C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC[NH+]2CCCC2)C1	REAL300029776719	0	51	0.0	-75.11	407.60	3.93	-71.18
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C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[NH+]2CCCCC2)C1	REAL300029776733	0	51	0.0	-74.92	401.46	3.91	-71.01
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC=C2C[NH+](C)C)C1	REAL300029776738	0	51	0.0	-61.58	402.68	4.64	-56.94
CC[N@@H+]1CCCCC1C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029776750	0	51	0.0	-69.33	384.11	3.31	-66.02
CC[N@H+]1CCCCC1C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029776750	1	51	0.0	-63.35	382.58	3.05	-60.30
CC(C)C(C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029776751	0	57	0.0	-63.39	423.68	4.88	-58.51
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C2=CC=CC=C2)[NH+](C)C)C1	REAL300029776755	1	51	0.0	-69.28	408.24	4.70	-64.58
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C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC=C2CC[NH+](C)C)C1	REAL300029776815	0	54	0.0	-64.96	427.69	5.43	-59.53
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[N@H+](C)C2CCCCC2)C1	REAL300029776822	0	57	0.0	-76.55	435.87	5.08	-71.47
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C1	REAL300029776822	1	57	0.0	-76.67	435.88	5.09	-71.58
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2([NH+](C)C)CCCC2)C1	REAL300029776826	0	54	0.0	-77.62	401.32	3.89	-73.73
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)C1	REAL300029776843	1	52	0.0	-80.23	415.53	2.21	-78.02
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NNC(C3CCC[N@H+]3C)=C2)C1	REAL300029776843	1	52	0.0	-74.99	420.17	2.33	-72.66
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+](C)C2CCC2)C1	REAL300029777118	0	48	0.0	-64.92	382.52	3.26	-61.66
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1	REAL300029777118	1	48	0.0	-64.91	382.47	3.26	-61.65
CC(C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300029777160	0	54	0.0	-70.72	403.11	4.05	-66.67
CC[NH+](CC)CC1=CC=C(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029777177	0	54	0.0	-80.61	431.19	4.39	-76.22
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300029777182	0	54	0.0	-76.15	428.36	4.66	-71.49
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+](C)CC2=CC=CC=C2)C1	REAL300029777185	1	51	0.0	-70.51	413.02	4.86	-65.65
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)C1	REAL300029777185	1	51	0.0	-70.52	413.02	4.87	-65.65
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[NH+](C)CC2)C1	REAL300029777203	0	48	0.0	-79.69	379.60	2.92	-76.77
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1	REAL300029777289	0	45	0.0	-64.00	362.07	2.21	-61.79
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1	REAL300029777289	1	45	0.0	-66.16	355.40	1.76	-64.40
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029777312	1	47	0.0	-70.87	383.47	3.09	-67.78
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029777312	1	47	0.0	-64.26	385.27	3.42	-60.84
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC2CCC[N@@H+]2C)C1	REAL300029777324	0	51	0.0	-73.98	399.50	3.51	-70.47
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC2CCC[N@H+]2C)C1	REAL300029777324	1	51	0.0	-69.33	403.79	3.77	-65.56
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300029777341	0	52	0.0	-75.07	387.66	3.22	-71.85
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300029777349	0	52	0.0	-67.83	403.31	4.32	-63.51
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300029777349	1	52	0.0	-63.13	396.53	3.72	-59.41
CCC[N@@H+]1CCCC(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029777467	0	54	0.0	-66.77	412.95	4.39	-62.38
CCC[N@H+]1CCCC(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029777467	1	54	0.0	-73.60	412.38	4.37	-69.23
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300029777480	0	58	0.0	-70.56	432.32	5.85	-64.71
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300029777480	1	58	0.0	-67.77	434.93	5.18	-62.59
CC(C)[N@@H+]1CCOC(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029777493	0	52	0.0	-81.93	407.10	2.98	-78.95
CC(C)[N@H+]1CCOC(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029777493	1	52	0.0	-73.03	399.89	2.79	-70.24
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1	REAL300029777517	0	55	0.0	-71.00	411.09	2.10	-68.90
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300029777540	0	48	0.0	-64.17	377.79	2.85	-61.32
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC[N@H+]2C)C1	REAL300029777540	1	48	0.0	-70.66	366.41	2.66	-68.00
CC(C)C[N@@H+]1CCCC1C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029777578	0	54	0.0	-64.32	414.37	3.86	-60.46
CC(C)C[N@H+]1CCCC1C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029777578	1	54	0.0	-63.57	411.85	4.13	-59.44
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300029777601	0	52	0.0	-76.17	410.88	0.64	-75.53
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C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC2CCCC[N@H+]2C)C1	REAL300029777676	1	54	0.0	-67.74	417.70	4.20	-63.54
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC3=C(CCC3)[NH+]=C2N)C1	REAL300029777723	1	48	0.0	-65.86	390.27	2.33	-63.53
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@@H+]2C(C)(C)C)C1	REAL300029777821	0	51	0.0	-63.53	381.66	2.38	-61.15
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@H+]2C(C)(C)C)C1	REAL300029777821	1	51	0.0	-69.94	399.36	3.11	-66.83
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCN(C3=CC=[NH+]C=C3)C2)C1	REAL300029777843	0	51	0.0	-67.95	409.07	1.59	-66.36
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300029777849	0	44	0.0	-72.20	354.93	1.91	-70.29
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=NC(C[NH+](C)C)=C2)C1	REAL300029777872	1	50	0.0	-74.90	406.90	3.07	-71.83
C=CCC(C)(C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029777878	0	51	0.0	-66.32	386.12	3.04	-63.28
CC[NH+](CC)CCSCC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029777917	0	54	0.0	-78.67	435.68	4.49	-74.18
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(N)C3=CC=CC=C3[NH+]=C2)C1	REAL300029777918	1	47	0.0	-61.27	387.89	1.56	-59.71
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[NH+]2CCCC2)C1	REAL300029777923	0	48	0.0	-74.96	386.10	3.12	-71.84
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+](C)CCO)C1	REAL300029777933	1	45	0.0	-74.09	365.54	-1.10	-75.19
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+](C)CCO)C1	REAL300029777933	1	45	0.0	-73.62	365.36	-1.09	-74.71
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300029777984	0	51	0.0	-86.26	380.09	1.04	-85.22
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300029777984	1	51	0.0	-83.97	382.92	1.00	-82.97
CC(C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300029778032	1	49	0.0	-76.69	390.00	3.03	-73.66
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2=CC[N@H+](C)CC2)C1	REAL300029778093	0	49	0.0	-73.25	396.75	3.82	-69.43
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2=CC[N@@H+](C)CC2)C1	REAL300029778093	1	49	0.0	-71.26	396.75	3.81	-67.45
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC(=O)N(C3C[NH+](C)C3)C2)C1	REAL300029778107	1	53	0.0	-76.00	423.88	2.01	-73.99
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(O)CC[S+](C)C)C1	REAL300029778115	0	47	0.0	-79.92	399.93	0.97	-78.95
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C)CC(O)C[N@@H+]2C)C1	REAL300029778149	0	49	0.0	-69.63	377.23	-0.77	-70.40
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C)CC(O)C[N@H+]2C)C1	REAL300029778149	1	49	0.0	-66.84	382.75	-1.07	-67.91
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CN(C)CC[N@H+](C)C2)C1	REAL300029778168	0	53	0.0	-71.19	407.75	1.31	-69.88
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)C1	REAL300029778168	1	53	0.0	-67.00	410.47	1.06	-65.94
CC(C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300029778169	0	52	0.0	-66.23	406.68	0.15	-66.08
CC(C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300029778169	1	52	0.0	-66.07	407.26	0.18	-65.89
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(N)[NH+]=CC3=C2CCC3)C1	REAL300029778207	0	48	0.0	-65.30	396.93	2.07	-63.23
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2(O)CCC[N@H+](C)C2)C1	REAL300029778217	0	52	0.0	-68.59	407.78	1.85	-66.74
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2(O)CCC[N@@H+](C)C2)C1	REAL300029778217	1	52	0.0	-73.40	405.07	1.95	-71.45
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CC(C)C2)C1	REAL300029778224	1	45	0.0	-73.46	368.92	2.57	-70.89
CC[N@@H+]1CCCC(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029778233	0	51	0.0	-66.47	390.80	3.71	-62.76
CC[N@H+]1CCCC(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029778233	1	51	0.0	-61.19	390.26	3.82	-57.37
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2=CC=C[NH+]=C2N)C1	REAL300029778250	0	44	0.0	-65.46	370.64	1.09	-64.37
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300029778266	0	49	0.0	-62.38	392.98	3.76	-58.62
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300029778266	1	49	0.0	-70.62	387.09	3.27	-67.35
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC2[N@@H+]2CCOC(C)C2)C1	REAL300029778303	0	56	0.0	-65.29	433.01	3.19	-62.10
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC2[N@H+]2CCOC(C)C2)C1	REAL300029778303	1	56	0.0	-73.25	427.73	3.34	-69.91
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(C[NH+]3CCCC3)O2)C1	REAL300029778326	0	52	0.0	-81.70	425.43	4.37	-77.33
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300029778333	0	49	0.0	-78.05	398.20	3.66	-74.39
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300029778368	0	52	0.0	-68.32	407.93	4.13	-64.19
CC[N@H+](C)CC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029778431	0	44	0.0	-66.63	354.10	1.94	-64.69
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2CC3C=CC2C3)C1	REAL300029778516	0	47	0.0	-69.01	376.28	3.33	-65.68
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300029778516	1	47	0.0	-69.43	376.73	3.24	-66.19
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300029778516	1	47	0.0	-69.43	376.73	3.24	-66.19
CC1=CC=C(NCCC(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)N=C1	REAL300029778543	0	50	0.0	-70.40	416.64	2.80	-67.60
CC1=CC=C(NCCC(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)[NH+]=C1	REAL300029778543	1	50	0.0	-70.40	416.64	2.80	-67.60
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C[NH+]3CCCC3)CCCC2)C1	REAL300029778603	0	58	0.0	-67.80	430.23	4.80	-63.00
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300029778706	0	52	0.0	-61.77	386.23	3.33	-58.44
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CCC[N@H+]2CCCC3)C1	REAL300029778706	1	52	0.0	-61.77	386.23	3.33	-58.44
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300029778718	0	50	0.0	-68.51	383.19	3.33	-65.18
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300029778718	1	50	0.0	-68.51	383.19	3.33	-65.18
CC(OCC[NH+](C)C)C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029778734	0	51	0.0	-75.03	410.35	3.00	-72.03
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCOCC[NH+](C)C)C1	REAL300029778748	0	51	0.0	-75.20	414.21	2.28	-72.92
COCCN(C)CC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029778750	0	48	0.0	-73.34	387.62	1.31	-72.03
COCC[N@H+](C)CC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029778750	1	48	0.0	-67.54	386.71	1.11	-66.43
COCC[N@@H+](C)CC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029778750	1	48	0.0	-67.54	386.71	1.11	-66.43
CC(CCC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029778759	0	50	0.0	-78.85	391.03	3.19	-75.66
CC[N@H+](CC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029778805	0	48	0.0	-64.11	382.79	3.31	-60.80
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@@H+]3CCN2C(C)C3)C1	REAL300029778826	0	51	0.0	-82.92	387.41	0.34	-82.58
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CC(C2)C[N@@H+]3C)C1	REAL300029778869	0	46	0.0	-76.60	365.44	2.61	-73.99
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CC(C2)C[N@H+]3C)C1	REAL300029778869	1	46	0.0	-76.91	365.40	2.52	-74.39
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029778883	1	48	0.0	-74.76	402.18	2.12	-72.64
CC1=C(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C=NN1CC[NH+](C)C	REAL300029778890	0	54	0.0	-78.44	432.59	2.94	-75.50
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300029778893	0	49	0.0	-70.72	384.42	3.49	-67.23
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300029778893	1	49	0.0	-71.02	383.89	3.55	-67.47
CC(C)[NH+]1CCC(CC(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029778914	0	57	0.0	-71.67	431.63	4.72	-66.95
CC(C[NH+](C)C)C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029778931	0	47	0.0	-68.87	377.33	2.63	-66.24
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@H+](C)CC2C(F)(F)F)C1	REAL300029778950	0	48	0.0	-76.75	397.95	2.89	-73.86
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@@H+](C)CC2C(F)(F)F)C1	REAL300029778950	1	48	0.0	-81.07	386.18	3.18	-77.89
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2([NH+](C)C)CC2)C1	REAL300029778954	0	45	0.0	-75.95	363.47	2.22	-73.73
C[C@H](C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029778988	0	44	0.0	-65.89	353.71	1.72	-64.17
CC[N@@H+]1CCC1C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029779002	0	45	0.0	-65.25	359.42	1.88	-63.37
CC[N@H+]1CCC1C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029779002	1	45	0.0	-72.78	369.39	2.41	-70.37
CC(C)[N@@H+]1CCCC(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029779023	0	54	0.0	-65.40	406.32	3.88	-61.52
CC(C)[N@H+]1CCCC(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029779023	1	54	0.0	-72.49	413.78	4.04	-68.45
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCN(C3=[NH+]C=CN3C)C2)C1	REAL300029779025	1	52	0.0	-67.25	416.71	3.78	-63.47
CCC(C)(C)[NH2+]C(C)C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029779054	0	53	0.0	-71.61	402.91	2.19	-69.42
C#CC[N@H+]1CCCCC1C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029779119	1	50	0.0	-70.43	393.45	3.77	-66.66
C#CC[N@@H+]1CCCCC1C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029779119	1	50	0.0	-70.27	404.01	4.23	-66.04
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029779123	1	47	0.0	-68.08	386.35	2.10	-65.98
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C[NH+]=CC=C2N)C1	REAL300029779125	0	41	0.0	-66.68	343.07	-0.70	-67.38
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(CC2=CC=CC=C2)[NH+](C)C)C1	REAL300029779131	0	54	0.0	-76.90	424.59	5.32	-71.58
CCCC(C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029779142	0	50	0.0	-72.02	390.69	3.33	-68.69
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)[NH+](C)C)C1	REAL300029779152	0	47	0.0	-77.24	360.14	2.49	-74.75
CC(CC[NH+](C)C)C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029779183	0	50	0.0	-70.03	399.39	3.21	-66.82
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1	REAL300029779256	0	55	0.0	-75.52	405.40	4.04	-71.48
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1	REAL300029779256	1	55	0.0	-66.06	410.16	4.64	-61.42
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300029779297	0	50	0.0	-62.20	389.85	3.48	-58.72
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300029779297	1	50	0.0	-63.79	385.33	4.15	-59.64
COCCCC[N@H+](C)CCC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029779354	0	57	0.0	-80.26	454.53	3.20	-77.06
COCCCC[N@@H+](C)CCC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029779354	1	57	0.0	-80.20	454.53	3.20	-77.00
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CCC([NH+](C)C)(CC2)CC3)C1	REAL300029779360	0	58	0.0	-82.92	420.01	4.21	-78.71
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC(C)(C)C[N@@H+]2C)C1	REAL300029779369	0	51	0.0	-69.81	400.29	3.57	-66.24
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC(C)(C)C[N@H+]2C)C1	REAL300029779369	1	51	0.0	-63.94	399.50	3.28	-60.66
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCCCC[NH+](C)C)C1	REAL300029779375	0	53	0.0	-76.47	424.62	4.32	-72.15
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[NH+]2CCC(O)CC2)C1	REAL300029779381	0	52	0.0	-78.41	412.40	0.44	-77.97
CCC[N@@H+]1CCCCC1C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029779387	0	54	0.0	-69.87	405.45	4.03	-65.84
CCC[N@H+]1CCCCC1C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029779387	1	54	0.0	-70.46	406.76	4.02	-66.44
CC[NH+]1CCN(CCC(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029779397	0	56	0.0	-76.13	435.72	2.11	-74.02
CCN1CC[NH+](CCC(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029779397	1	56	0.0	-76.33	436.07	2.14	-74.19
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2CC[NH+](C)CC2)C1	REAL300029779401	1	50	0.0	-74.73	396.63	0.97	-73.76
CC(C)C[NH+]1CCC(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029779559	0	57	0.0	-79.71	434.35	4.92	-74.79
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@H+](C)CC(C)O2)C1	REAL300029779563	1	49	0.0	-89.03	384.14	2.09	-86.94
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@@H+](C)CC(C)O2)C1	REAL300029779563	1	49	0.0	-88.11	391.88	2.46	-85.65
CCC1CCC[N@H+](CC(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029779609	0	54	0.0	-71.34	411.28	4.06	-67.28
CCC1CCC[N@@H+](CC(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029779609	1	54	0.0	-73.37	411.43	4.55	-68.82
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(C[NH+](C)C)N2)C1	REAL300029779621	0	49	0.0	-87.31	399.83	2.90	-84.41
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300029779647	0	46	0.0	-66.47	372.12	3.15	-63.32
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2([NH+]3CCCC3)CC2)C1	REAL300029779672	0	52	0.0	-71.06	402.57	4.22	-66.84
CC([NH2+]C1(CO)CCCC1)C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029779698	0	55	0.0	-66.24	419.88	-0.62	-66.86
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300029779739	0	48	0.0	-64.17	377.79	2.85	-61.32
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC[N@H+]2C)C1	REAL300029779739	1	48	0.0	-70.66	366.41	2.66	-68.00
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@@H+]2CC2=CC=CC=C2)C1	REAL300029779748	1	52	0.0	-76.89	428.97	5.46	-71.43
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@H+]2CC2=CC=CC=C2)C1	REAL300029779748	1	52	0.0	-65.39	420.03	4.88	-60.51
CC(C)C[N@@H+]1CCCC(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029779755	0	57	0.0	-67.11	427.19	5.13	-61.98
CC(C)C[N@H+]1CCCC(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029779755	1	57	0.0	-73.88	429.80	5.05	-68.83
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2CCC([NH+](C)C)CC2)C1	REAL300029779841	0	56	0.0	-74.65	430.97	2.17	-72.48
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=C2CC[N@H+](C)C2)C1	REAL300029779934	0	46	0.0	-78.24	376.23	3.01	-75.23
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=C2CC[N@@H+](C)C2)C1	REAL300029779934	1	46	0.0	-78.41	376.24	3.00	-75.41
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300029779942	0	44	0.0	-74.56	373.49	0.66	-73.90
CC[NH+]1CCN(CC(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029780020	0	53	0.0	-73.60	413.87	1.61	-71.99
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=C2C[NH+]3CCC2CC3)C1	REAL300029780025	0	50	0.0	-67.10	392.63	3.67	-63.43
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2([NH+](C)C)CCCC2)C1	REAL300029780085	0	51	0.0	-78.05	380.00	3.18	-74.87
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)C1	REAL300029780102	0	52	0.0	-71.25	408.62	0.66	-70.59
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)C1	REAL300029780102	1	52	0.0	-63.44	407.26	0.67	-62.77
CCC1C[NH+](CC(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029780110	0	48	0.0	-67.67	388.96	3.20	-64.47
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[NH+](C3CCOCC3)C2)C1	REAL300029780114	0	53	0.0	-79.21	421.05	2.33	-76.88
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300029780117	0	52	0.0	-74.29	389.80	3.81	-70.48
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1	REAL300029780135	0	45	0.0	-73.38	356.78	1.94	-71.44
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1	REAL300029780135	1	45	0.0	-69.91	362.37	2.36	-67.55
CC[N@@H+]1CCOCC1CC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029780180	0	52	0.0	-69.14	400.06	1.59	-67.55
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(=O)NC3=C2CCC[NH2+]3)C1	REAL300029780189	0	49	0.0	-85.67	404.07	0.71	-84.96
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[NH+](C3CCCCC3)C2)C1	REAL300029780214	0	55	0.0	-73.88	429.26	4.74	-69.14
COC1C[N@@H+]2CCCC2(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029780236	0	53	0.0	-75.47	403.88	1.78	-73.69
COC1C[N@H+]2CCCC2(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029780236	1	53	0.0	-75.47	403.88	1.78	-73.69
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C3NC(N)=NC3=C2)C1	REAL300029780320	0	45	0.0	-66.85	376.41	2.07	-64.78
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C3NC(N)=[NH+]C3=C2)C1	REAL300029780320	1	45	0.0	-66.85	376.41	2.07	-64.78
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C1	REAL300029780383	0	48	0.0	-76.11	387.17	3.20	-72.91
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(CC[NH+](C)C)CCCC2)C1	REAL300029780399	0	57	0.0	-77.58	433.50	4.63	-72.95
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[NH+]2C(C)CCCC2C)C1	REAL300029780401	0	57	0.0	-72.12	428.31	4.48	-67.64
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC([NH+](C)C)CC2)C1	REAL300029780404	0	54	0.0	-69.27	407.13	3.93	-65.34
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(CC[NH+](C)C)CC2)C1	REAL300029780405	0	51	0.0	-73.56	412.44	4.06	-69.50
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C1	REAL300029780410	0	54	0.0	-64.99	407.40	3.87	-61.12
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CC=CC[N@@H+]2C)C1	REAL300029780411	0	49	0.0	-65.92	383.85	3.50	-62.42
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CC=CC[N@H+]2C)C1	REAL300029780411	1	49	0.0	-67.18	383.69	3.47	-63.71
CC1=CC(C=CC(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)=C[NH+]=C1N	REAL300029780491	1	48	0.0	-78.03	402.79	2.34	-75.69
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)COCC[NH+](C)C)C1	REAL300029780508	0	48	0.0	-73.99	393.26	2.59	-71.40
CCCCC[N@H+](C)CCC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029780516	0	56	0.0	-77.33	442.36	4.91	-72.42
CCCCC[N@@H+](C)CCC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029780516	1	56	0.0	-77.27	442.36	4.91	-72.36
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)C1	REAL300029780533	0	52	0.0	-75.99	415.12	3.30	-72.69
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2C=CSC2=[NH2+])C1	REAL300029780570	0	41	0.0	-63.70	363.46	1.46	-62.24
C[C@@H](OCC[NH+](C)C)C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029780692	0	51	0.0	-67.79	409.42	2.99	-64.80
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C3(O)CC[NH+](C)CC3)CC2)C1	REAL300029780697	0	56	0.0	-82.77	428.34	2.27	-80.50
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[NH+]2CCCCCC2)C1	REAL300029780790	0	54	0.0	-76.99	411.77	4.02	-72.97
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CCCCC2)C1	REAL300029780796	0	48	0.0	-72.56	379.19	3.34	-69.22
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@H+](C)C2)C1	REAL300029780798	0	48	0.0	-75.19	380.06	2.80	-72.39
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@@H+](C)C2)C1	REAL300029780798	1	48	0.0	-66.78	373.33	3.06	-63.72
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300029780800	0	52	0.0	-76.17	410.88	0.64	-75.53
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CCCCCC2)C1	REAL300029780806	0	51	0.0	-66.01	387.33	3.33	-62.68
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N+]2=CN(C)C=C2)C1	REAL300029780813	0	43	0.0	-71.43	368.69	4.98	-66.45
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)C2CCC[N@H+](C)C2)C1	REAL300029780836	0	57	0.0	-71.51	412.15	3.54	-67.97
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)C2CCC[N@@H+](C)C2)C1	REAL300029780836	1	57	0.0	-78.04	413.70	3.63	-74.41
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(C[NH+](C)C)O2)C1	REAL300029780842	1	48	0.0	-83.15	400.06	3.25	-79.90
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(C[NH+](C)C)N=C2)C1	REAL300029780852	0	50	0.0	-72.87	406.15	2.47	-70.40
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300029780876	1	49	0.0	-77.68	390.29	-0.01	-77.69
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+](C)C2CC2)C1	REAL300029780884	0	45	0.0	-64.64	365.82	2.70	-61.94
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+](C)C2CC2)C1	REAL300029780884	1	45	0.0	-64.73	365.82	2.70	-62.03
CC(C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300029780886	1	53	0.0	-73.69	404.77	1.08	-72.61
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[N@@H+]2CCC(F)C2)C1	REAL300029780894	0	48	0.0	-80.10	391.80	3.26	-76.84
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[N@H+]2CCC(F)C2)C1	REAL300029780894	1	48	0.0	-80.17	392.16	3.19	-76.98
COC1C[N@H+](C)C(C)(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029780913	0	52	0.0	-63.53	400.09	1.21	-62.32
COC1C[N@@H+](C)C(C)(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029780913	1	52	0.0	-74.19	404.93	1.54	-72.65
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC(CC[NH+](C)C)=C2)C1	REAL300029780936	0	54	0.0	-74.18	432.41	5.15	-69.03
CC(CC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029780943	0	50	0.0	-76.41	394.76	3.47	-72.94
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300029780970	0	50	0.0	-78.60	395.82	1.69	-76.91
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@H+]3CCOCC23)C1	REAL300029780970	1	50	0.0	-71.50	390.61	1.67	-69.83
CC1=[NH+]C=C2C=CC(C(=O)N3CC([C@H](C)NC(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300029780980	0	46	0.0	-65.47	383.65	4.11	-61.36
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2COCC[N@@H+]2C)C1	REAL300029781006	1	49	0.0	-80.58	387.92	1.26	-79.32
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2COCC[N@H+]2C)C1	REAL300029781006	1	49	0.0	-69.98	380.61	1.15	-68.83
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C[NH+](C)C)C2=CC=CC=C2)C1	REAL300029781018	0	54	0.0	-67.50	433.56	5.47	-62.03
CC[NH+]1CCN(CC(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029781024	0	53	0.0	-73.60	413.87	1.61	-71.99
CC1=CC(N)=[NH+]C=C1C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029781107	1	44	0.0	-66.32	365.78	0.63	-65.69
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC2=CC=C(N)[NH+]=C2)C1	REAL300029781110	0	47	0.0	-73.60	396.78	1.89	-71.71
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(CC[NH+]3CCCCC3)CC2)C1	REAL300029781143	0	58	0.0	-72.29	454.17	5.81	-66.48
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+]2CCC(C)(O)C2)C1	REAL300029781185	0	49	0.0	-71.58	393.62	-0.21	-71.79
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+]2CCC(C)(O)C2)C1	REAL300029781185	1	49	0.0	-65.97	392.53	-0.23	-66.20
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=NN2CC[NH+](C)C)C1	REAL300029781196	0	51	0.0	-68.44	410.83	2.40	-66.04
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2C[NH+](C)C2)C1	REAL300029781239	0	45	0.0	-75.79	368.76	2.30	-73.49
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300029781245	0	52	0.0	-66.47	408.27	4.22	-62.25
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300029781245	1	52	0.0	-71.66	402.44	3.92	-67.74
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[N@H+](C)CCO)C1	REAL300029781305	0	48	0.0	-75.34	387.91	-0.52	-75.86
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[N@@H+](C)CCO)C1	REAL300029781305	1	48	0.0	-75.09	388.20	-0.63	-75.72
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300029781306	0	44	0.0	-72.20	354.93	1.91	-70.29
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CCCC[N@@H+]2C)C1	REAL300029781334	0	51	0.0	-77.03	397.04	3.56	-73.47
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CCCC[N@H+]2C)C1	REAL300029781334	1	51	0.0	-66.75	389.23	3.53	-63.22
CC1=C2C=C(C(=O)N3CC([C@H](C)NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029781369	1	46	0.0	-70.16	384.41	4.91	-65.25
CC(C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300029781370	0	48	0.0	-70.92	388.80	2.99	-67.93
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+]2CCC2C)C1	REAL300029781376	0	45	0.0	-71.92	369.01	2.51	-69.41
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+]2CCC2C)C1	REAL300029781376	1	45	0.0	-70.98	363.20	2.28	-68.70
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=CC[NH+](C)C)C1	REAL300029781397	0	45	0.0	-79.50	373.18	2.67	-76.83
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CC(C)(C)C2)C1	REAL300029781415	1	48	0.0	-73.31	387.99	3.06	-70.25
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCCC[NH+]2CCCCC2)C1	REAL300029781430	0	57	0.0	-76.00	444.31	5.39	-70.61
CC1=C(C)[NH+]=C(CCC(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029781447	1	49	0.0	-69.45	408.01	2.67	-66.78
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC3=C(C[N@H+](C)CC3)S2)C1	REAL300029781448	1	49	0.0	-84.10	407.76	4.15	-79.95
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC3=C(C[N@@H+](C)CC3)S2)C1	REAL300029781448	1	49	0.0	-74.78	406.31	4.13	-70.65
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C3CC[NH+](C)CC3)CC2)C1	REAL300029781462	0	55	0.0	-71.37	427.13	4.84	-66.53
CC1=C2C=C(C(=O)N3CC([C@H](C)NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029781473	1	46	0.0	-70.16	384.41	4.91	-65.25
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CSCC[NH+](C)C)C1	REAL300029781489	0	48	0.0	-80.59	404.36	3.42	-77.17
CC(C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300029781511	0	54	0.0	-67.36	431.54	5.24	-62.12
CC(C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300029781511	1	54	0.0	-67.76	430.65	5.22	-62.54
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC3=C(CCCC3)[NH+]=C2N)C1	REAL300029781515	1	51	0.0	-65.98	407.62	2.81	-63.17
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+]2CCCC2CO)C1	REAL300029781524	0	49	0.0	-63.71	382.22	-0.21	-63.92
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+]2CCCC2CO)C1	REAL300029781524	1	49	0.0	-72.06	391.69	-0.04	-72.10
CC[NH+](CC)CC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029781527	0	47	0.0	-71.17	369.22	2.44	-68.73
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+](C)C2CCSC2)C1	REAL300029781544	0	49	0.0	-77.51	398.54	3.60	-73.91
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+](C)C2CCSC2)C1	REAL300029781544	1	49	0.0	-77.96	396.80	3.71	-74.25
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CCC2)C1	REAL300029781546	1	42	0.0	-67.16	346.67	1.76	-65.40
CC[NH+](CC)CCC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029781614	0	50	0.0	-74.85	395.42	3.39	-71.46
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CCC(C(N)=O)CC2)C1	REAL300029781640	0	52	0.0	-83.18	415.11	0.01	-83.17
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(C[NH+](C)C)=CN2)C1	REAL300029781704	0	49	0.0	-80.01	399.68	2.72	-77.29
CC(C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300029781730	0	52	0.0	-66.67	401.32	-0.06	-66.73
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300029781739	0	50	0.0	-76.20	395.40	1.69	-74.51
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC3COCC[N@H+]3C2)C1	REAL300029781739	1	50	0.0	-69.09	394.81	1.57	-67.52
CC(C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029781761	0	45	0.0	-72.08	366.84	2.24	-69.84
CCC(CC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029781775	0	53	0.0	-76.78	408.34	4.00	-72.78
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=CC2=CC=C(N)[NH+]=C2)C1	REAL300029781784	0	45	0.0	-77.06	385.05	1.60	-75.46
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)C[NH+](C)C)C1	REAL300029781785	0	50	0.0	-74.29	381.89	2.73	-71.56
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC(C2=CC=CC=C2)[NH+](C)C)C1	REAL300029781832	0	54	0.0	-79.61	427.44	5.38	-74.23
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1	REAL300029781875	0	48	0.0	-68.85	379.64	2.97	-65.88
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1	REAL300029781875	1	48	0.0	-70.73	366.27	2.64	-68.09
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@@H+]3CCN2CC3C)C1	REAL300029781893	0	51	0.0	-81.35	387.34	0.24	-81.11
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@H+]3CCN2CC3C)C1	REAL300029781893	1	51	0.0	-71.47	384.62	-0.02	-71.49
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC(O)C[NH+](C)C)C1	REAL300029781929	0	48	0.0	-79.91	390.28	0.44	-79.47
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC3CCC(C2)[NH+]3C)C1	REAL300029781932	0	52	0.0	-72.68	374.33	3.52	-69.16
C#CC1(O)CC[NH+](C(C)C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029781974	0	54	0.0	-65.80	430.22	1.10	-64.70
C=CCC(C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029781989	0	48	0.0	-71.62	383.43	3.06	-68.56
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300029782005	0	52	0.0	-67.30	402.09	3.94	-63.36
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300029782005	1	52	0.0	-70.86	404.65	4.10	-66.76
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C)CC[NH+](C)CC2)C1	REAL300029782023	0	51	0.0	-67.43	387.02	2.92	-64.51
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2(O)CC[NH+](C)CC2)C1	REAL300029782029	0	52	0.0	-75.83	408.11	1.64	-74.19
COCC[N@@H+]1CCCC1CC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029782048	0	55	0.0	-74.86	427.01	2.70	-72.16
COCC[N@H+]1CCCC1CC(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029782048	1	55	0.0	-67.35	427.76	2.32	-65.03
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CC3CCC(C2)[NH+]3C)C1	REAL300029782064	0	55	0.0	-72.65	416.41	4.34	-68.31
C[C@H](NC(=O)C1=CC=NN1CC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029782109	0	51	0.0	-70.40	414.70	2.80	-67.60
C[C@H](NC(=O)C1=CC2=C(C[N@H+](C)CC2)S1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029782151	1	49	0.0	-78.19	408.54	4.21	-73.98
C[C@H](NC(=O)C1=CC2=C(C[N@@H+](C)CC2)S1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029782151	1	49	0.0	-80.17	410.00	4.35	-75.82
C[C@H](NC(=O)C1(C2CC[NH+](C)CC2)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029782163	0	55	0.0	-74.93	422.70	4.90	-70.03
CC1=C2C=C(C(=O)N[C@@H](C)C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029782176	1	46	0.0	-76.11	387.94	5.44	-70.67
C[C@H](NC(=O)CSCC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029782191	0	48	0.0	-78.33	402.78	3.21	-75.12
C[C@H](NC(=O)C1CC2COCC[N@@H+]2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029782203	0	50	0.0	-73.04	394.08	1.70	-71.34
C[C@H](NC(=O)C1CC2COCC[N@H+]2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029782203	1	50	0.0	-72.71	394.01	1.70	-71.01
C[N@@H+]1CCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1CC1=CC=CC=C1	REAL300029782301	0	55	0.0	-61.70	423.14	5.65	-56.05
C[N@H+]1CCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1CC1=CC=CC=C1	REAL300029782301	1	55	0.0	-75.11	425.54	5.76	-69.35
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1CC1=CC=CC=C1	REAL300029782394	0	55	0.0	-68.45	426.48	5.77	-62.68
C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1CC1=CC=CC=C1	REAL300029782394	1	55	0.0	-68.79	431.99	6.28	-62.51
C[NH+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1CC1=CC=CC=C1	REAL300029782469	0	51	0.0	-73.15	406.47	5.21	-67.94
CC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1CC1=CC=CC=C1)[NH+]1CCC1	REAL300029782473	1	55	0.0	-70.85	434.64	6.33	-64.52
C[N@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1CC1=CC=CC=C1)C1CC1	REAL300029782478	0	55	0.0	-64.19	433.39	6.55	-57.64
C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1CC1=CC=CC=C1)C1CC1	REAL300029782478	1	55	0.0	-70.90	435.87	6.61	-64.29
C[NH+]1CC(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2CC2=CC=CC=C2)C1	REAL300029782483	0	55	0.0	-74.61	437.57	5.98	-68.63
C[C@@H](C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1CC1=CC=CC=C1)[NH+](C)C	REAL300029782490	0	54	0.0	-73.01	424.54	5.60	-67.41
C[C@@H](C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1CC1=CC=CC=C1)[NH+](C)C	REAL300029782510	0	54	0.0	-73.01	424.54	5.60	-67.41
C[C@H](C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1CC1=CC=CC=C1)[NH+](C)C	REAL300029782530	0	54	0.0	-69.18	424.56	5.63	-63.55
CC1C[NH+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2CC2=CC=CC=C2)C1	REAL300029782536	1	55	0.0	-72.99	436.89	6.29	-66.70
CC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1CC1=CC=CC=C1	REAL300029782551	0	54	0.0	-67.03	420.79	5.72	-61.31
CC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1CC1=CC=CC=C1	REAL300029782551	1	54	0.0	-67.24	421.82	5.77	-61.47
C[NH+](C)CC=CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1CC1=CC=CC=C1	REAL300029782566	0	55	0.0	-77.11	442.92	6.46	-70.65
CC[N@@H+]1CCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1CC1=CC=CC=C1	REAL300029782570	1	55	0.0	-72.17	437.34	6.19	-65.98
CC[N@H+]1CCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1CC1=CC=CC=C1	REAL300029782570	1	55	0.0	-72.12	438.13	6.19	-65.93
C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2CC2=CC=CC=C2)CC1	REAL300029782599	0	55	0.0	-74.89	430.05	6.34	-68.55
CC1CC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1CC1=CC=CC=C1	REAL300029782622	1	55	0.0	-70.74	436.99	6.28	-64.46
CC1CC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1CC1=CC=CC=C1	REAL300029782622	1	55	0.0	-72.33	437.75	6.29	-66.04
C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1CC1=CC=CC=C1	REAL300029782665	0	55	0.0	-70.06	432.51	6.27	-63.79
C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1CC1=CC=CC=C1	REAL300029782665	1	55	0.0	-75.03	426.47	5.79	-69.24
C[N@@H+]1CCCC1C(=O)N1C[C@H](CC2=CC=CC=C2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029782760	0	55	0.0	-60.56	427.93	5.83	-54.73
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CC(C(=O)N1C[C@H](CC2=CC=CC=C2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029783177	1	55	0.0	-62.42	434.37	6.21	-56.21
C[N@@H+]1CCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029783370	0	54	0.0	-62.81	394.75	3.42	-59.39
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C[N@@H+]1CCOC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029783394	1	55	0.0	-67.11	399.61	2.88	-64.23
C[N@H+]1CCOC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029783394	1	55	0.0	-68.61	399.69	2.89	-65.72
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CC[N@@H+]1CCCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029783705	0	60	0.0	-62.30	419.41	4.71	-57.59
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C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029783810	1	56	0.0	-62.94	421.46	4.78	-58.16
C[N@@H+]1CCCC1CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029783815	0	60	0.0	-66.71	431.11	4.63	-62.08
C[N@H+]1CCCC1CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029783815	1	60	0.0	-66.84	431.38	4.62	-62.22
C[NH+]1CCC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)CC1	REAL300029783831	0	57	0.0	-69.01	413.73	4.16	-64.85
C[N@@H+]1CCCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029783865	0	57	0.0	-63.37	411.79	4.16	-59.21
C[N@H+]1CCCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029783865	1	57	0.0	-62.73	411.46	4.19	-58.54
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CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC[NH+]1CCOCC1	REAL300029783932	1	58	0.0	-69.82	424.70	2.61	-67.21
CC1=C[NH+]=CN1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029783945	1	52	0.0	-66.09	399.17	4.95	-61.14
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C12CCC[NH+]1CCC2	REAL300029783964	0	58	0.0	-61.90	414.15	4.60	-57.30
C[N@@H+]1CCC(CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029783973	0	57	0.0	-68.94	415.93	4.20	-64.74
C[N@H+]1CCC(CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029783973	1	57	0.0	-68.47	415.35	4.11	-64.36
CCC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)[NH+](C)C	REAL300029783980	0	56	0.0	-64.48	402.61	3.67	-60.81
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300029784007	1	52	0.0	-69.91	399.87	6.12	-63.79
C[NH+](C)CCCCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029784035	0	59	0.0	-69.23	434.80	4.75	-64.48
CC(C)C(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)[NH+](C)C	REAL300029784047	0	59	0.0	-64.23	415.49	4.44	-59.79
CCC[N@H+](C)CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029784048	0	59	0.0	-67.86	431.03	4.57	-63.29
CCC[N@@H+](C)CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029784048	1	59	0.0	-67.85	431.03	4.58	-63.27
CCC[N@H+](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029784051	0	56	0.0	-65.85	408.64	4.02	-61.83
CCC[N@@H+](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029784051	1	56	0.0	-65.92	408.40	3.90	-62.02
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C12CC[N@H+](C1)CCC2	REAL300029784065	0	58	0.0	-67.09	411.19	3.69	-63.40
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C12CC[N@@H+](C1)CCC2	REAL300029784065	1	58	0.0	-68.92	410.48	3.93	-64.99
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029784091	0	54	0.0	-64.70	389.10	3.00	-61.70
C[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029784091	1	54	0.0	-50.97	395.44	3.55	-47.42
CC[NH+](CC)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029784124	0	56	0.0	-64.18	399.97	3.58	-60.60
CC1CC[NH+](CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)CC1	REAL300029784184	0	60	0.0	-65.69	432.09	4.97	-60.72
C[NH+](C)CC1(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)CC1	REAL300029784204	0	57	0.0	-64.48	421.78	4.34	-60.14
C[NH+]1CCC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)CC1	REAL300029784256	0	57	0.0	-69.01	413.73	4.16	-64.85
CC(C)[C@H](C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)[NH+](C)C	REAL300029784272	0	59	0.0	-64.67	418.60	4.73	-59.94
CCC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)[NH+](CC)CC	REAL300029784300	0	62	0.0	-60.33	433.86	4.88	-55.45
CC[N@H+](C)CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029784333	0	56	0.0	-67.27	409.51	3.83	-63.44
CC[N@@H+](C)CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029784333	1	56	0.0	-67.16	409.53	3.83	-63.33
CC1CCC[N@@H+]1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029784359	0	57	0.0	-62.78	415.09	4.13	-58.65
CC1CCC[N@H+]1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029784359	1	57	0.0	-63.03	414.35	4.27	-58.76
CC1CC[N@H+](CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029784360	0	57	0.0	-64.90	415.25	4.23	-60.67
CC1CC[N@@H+](CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029784360	1	57	0.0	-64.97	414.78	4.35	-60.62
CC1(C)CC[N@H+](CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029784364	0	60	0.0	-64.77	434.20	4.75	-60.02
CC1(C)CC[N@@H+](CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029784364	1	60	0.0	-64.74	433.95	4.71	-60.03
C[N@H+](CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)CC(C)(C)C	REAL300029784365	0	62	0.0	-65.68	436.32	4.86	-60.82
C[N@@H+](CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)CC(C)(C)C	REAL300029784365	1	62	0.0	-65.34	439.00	5.06	-60.28
CC[C@@H](C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)[NH+](C)C	REAL300029784373	0	56	0.0	-63.41	399.42	3.55	-59.86
C[NH+](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029784469	0	50	0.0	-66.56	369.43	2.61	-63.95
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[NH+]1CCCCCC1	REAL300029784472	0	60	0.0	-64.99	420.51	4.67	-60.32
CN1C=C[N+](CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)=C1	REAL300029784475	0	52	0.0	-64.14	400.66	6.12	-58.02
C[N@@H+]1CCCC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029784479	0	57	0.0	-66.90	413.97	4.22	-62.68
C[N@H+]1CCCC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029784479	1	57	0.0	-62.24	407.71	4.42	-57.82
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CCC[N@@H+]1C1CC1	REAL300029784484	0	58	0.0	-60.70	424.99	4.99	-55.71
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CCC[N@H+]1C1CC1	REAL300029784484	1	58	0.0	-60.63	424.67	5.08	-55.55
CC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)[NH+]1CCC1	REAL300029784499	1	54	0.0	-63.95	399.56	3.60	-60.35
CCC(CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)C[NH+](C)C	REAL300029784503	0	62	0.0	-64.54	444.38	5.12	-59.42
C[NH+](C)CC(C)(C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029784508	0	59	0.0	-64.62	415.96	4.17	-60.45
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[NH+]1CCC(O)CC1	REAL300029784521	1	58	0.0	-69.04	422.55	1.11	-67.93
C[N@H+](CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)C1CC1	REAL300029784522	0	54	0.0	-63.38	398.70	4.01	-59.37
C[N@@H+](CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)C1CC1	REAL300029784522	1	54	0.0	-63.82	398.84	4.02	-59.80
C[NH+]1CC(CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029784537	0	54	0.0	-67.78	400.85	3.43	-64.35
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029784548	0	60	0.0	-62.58	413.92	4.11	-58.47
CC(C)(C)[N@H+]1CCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029784548	1	60	0.0	-62.85	416.01	3.55	-59.30
C[C@@H](C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)[NH+](C)C	REAL300029784559	0	53	0.0	-64.30	386.83	2.92	-61.38
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CN1C=CSC1=[NH2+]	REAL300029784616	0	50	0.0	-62.26	396.49	2.79	-59.47
C[N@H+](CCO)CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029784622	0	57	0.0	-67.19	419.88	0.61	-66.58
C[N@@H+](CCO)CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029784622	1	57	0.0	-66.94	419.76	0.62	-66.32
C[C@@H](C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)[NH+](C)C	REAL300029784623	0	53	0.0	-64.30	386.83	2.92	-61.38
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029784627	0	57	0.0	-63.87	401.69	3.93	-59.94
C[N@H+]1CCCC[C@@H]1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029784627	1	57	0.0	-63.16	411.31	4.18	-58.98
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[NH+]1CCC1	REAL300029784677	1	51	0.0	-65.93	379.26	2.92	-63.01
C[N@@H+]1CCC(=CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029784694	0	55	0.0	-70.88	407.38	4.16	-66.72
C[N@H+]1CCC(=CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029784694	1	55	0.0	-70.87	407.31	4.16	-66.71
C[NH+](C)CCOCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029784715	0	57	0.0	-67.55	425.32	3.62	-63.93
C=CCC(C)(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)[NH+](C)C	REAL300029784728	0	60	0.0	-65.46	423.76	4.83	-60.63
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029784749	0	58	0.0	-67.41	417.28	0.98	-66.43
CC1CN(CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029784767	0	54	0.0	-65.95	399.24	3.65	-62.30
CC1C[NH+](CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029784767	1	54	0.0	-65.95	399.24	3.65	-62.30
CN(CCO)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029784785	0	54	0.0	-66.48	397.50	0.03	-66.45
C[N@H+](CCO)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029784785	1	54	0.0	-65.93	397.18	-0.08	-66.01
C[N@@H+](CCO)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029784785	1	54	0.0	-65.93	397.18	-0.08	-66.01
CC[N@@H+]1CCCC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029784805	0	60	0.0	-61.53	425.17	4.96	-56.57
CC[N@H+]1CCCC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029784805	1	60	0.0	-61.53	425.17	4.96	-56.57
CC(CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)C[NH+](C)C	REAL300029784807	0	59	0.0	-68.44	425.95	4.50	-63.94
CC[N@H+](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029784812	0	53	0.0	-65.49	387.14	3.27	-62.22
CC[N@H+](CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)C1CC1	REAL300029784844	0	57	0.0	-63.18	415.15	4.49	-58.69
CC[NH+](CC)CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029784854	0	59	0.0	-66.17	427.13	4.43	-61.74
C[NH+]1CCC(=CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)CC1	REAL300029784863	0	58	0.0	-69.77	423.25	4.96	-64.81
CC1(C)C[NH+](CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029784871	1	57	0.0	-65.55	420.01	4.22	-61.33
CC1(O)CC[N@H+](CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029784889	0	58	0.0	-65.70	425.80	1.00	-64.70
CC1(O)CC[N@@H+](CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029784889	1	58	0.0	-65.41	424.93	0.86	-64.55
C[NH+](C)CC=CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029784892	0	54	0.0	-70.63	406.66	3.85	-66.78
CC(OCC[NH+](C)C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029784901	0	60	0.0	-66.22	445.11	4.33	-61.89
C[NH+](C)CCOCCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029784907	0	60	0.0	-67.28	446.26	3.40	-63.88
COCC[N@H+](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029784908	1	57	0.0	-65.47	419.41	2.46	-63.01
COCC[N@@H+](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029784908	1	57	0.0	-66.30	419.50	2.33	-63.97
C[NH+](C)C1(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)CCCC1	REAL300029784928	0	60	0.0	-66.00	421.75	4.58	-61.42
CC(CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)[NH+](C)C	REAL300029784930	0	59	0.0	-67.01	425.67	4.21	-62.80
CC[N@@H+]1CCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029784936	1	54	0.0	-63.93	394.19	3.32	-60.61
CC[N@H+]1CCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029784936	1	54	0.0	-64.47	401.03	3.62	-60.85
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@@H+]1CCCC1CO	REAL300029784948	0	58	0.0	-64.97	418.71	0.55	-64.42
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@H+]1CCCC1CO	REAL300029784948	1	58	0.0	-64.96	418.72	0.53	-64.43
C[NH+]1CCC(C)(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)CC1	REAL300029784969	0	60	0.0	-66.27	426.62	4.68	-61.59
C=CCC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)[NH+](C)C	REAL300029784987	0	57	0.0	-64.27	417.22	4.17	-60.10
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029784994	0	60	0.0	-62.84	435.15	4.63	-58.21
C[N@H+]1CC(C)(C)CC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029784994	1	60	0.0	-64.40	429.51	4.19	-60.21
C[NH+](C)CCCCCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029784996	0	62	0.0	-69.34	456.30	5.54	-63.80
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[NH+]1CC2CC2C1	REAL300029785001	0	55	0.0	-65.45	404.51	4.37	-61.08
CCCC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)[NH+](C)C	REAL300029785016	0	59	0.0	-65.22	424.10	4.42	-60.80
C[NH+](C)C(C)(C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029785019	0	56	0.0	-64.26	396.89	3.77	-60.49
C[N@@H+]1CCCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029785044	0	57	0.0	-63.37	411.79	4.16	-59.21
C[N@H+]1CCCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029785044	1	57	0.0	-62.73	411.46	4.19	-58.54
C[N@H+]1CC=C(CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)CC1	REAL300029785067	0	58	0.0	-67.92	428.58	4.94	-62.98
C[N@@H+]1CC=C(CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)CC1	REAL300029785067	1	58	0.0	-66.86	428.57	4.92	-61.94
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C=CC[NH+]1CCCC1	REAL300029785101	0	58	0.0	-69.20	431.74	5.02	-64.18
C[NH+](C)C1(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)CC1	REAL300029785131	0	54	0.0	-65.06	392.46	3.79	-61.27
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC[NH+]1CCCC1	REAL300029785133	0	57	0.0	-66.60	417.51	4.23	-62.37
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1C[NH+]2CCN1CC2	REAL300029785156	0	57	0.0	-68.87	405.89	1.06	-67.81
C[N@@H+]1CC2CC1(C(=O)NCC1CN(C(=O)C3=CC(=O)[N-]O3)CCC1(C)C)C2	REAL300029785160	0	55	0.0	-64.34	400.14	3.65	-60.69
C[N@H+]1CC2CC1(C(=O)NCC1CN(C(=O)C3=CC(=O)[N-]O3)CCC1(C)C)C2	REAL300029785160	1	55	0.0	-64.65	399.86	3.60	-61.05
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@@H+]1CC2CCC1C2	REAL300029785167	0	58	0.0	-63.38	413.26	4.49	-58.89
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@H+]1CC2CCC1C2	REAL300029785167	1	58	0.0	-63.35	413.42	4.38	-58.97
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@@H+]1CC2C=CC1C2	REAL300029785205	1	56	0.0	-63.04	408.23	4.46	-58.58
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@H+]1CC2C=CC1C2	REAL300029785205	1	56	0.0	-63.50	408.80	4.49	-59.01
CC(C[NH+](C)C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029785237	0	56	0.0	-67.28	407.84	3.88	-63.40
C[N@@H+]1CCCCC1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029785281	0	60	0.0	-60.97	420.88	4.53	-56.44
C[N@H+]1CCCCC1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029785281	1	60	0.0	-67.55	428.74	4.78	-62.77
CC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C)[NH+]1CC(C)C1	REAL300029785291	1	57	0.0	-63.31	418.61	4.29	-59.02
CC1CC[N@@H+]1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029785293	1	54	0.0	-63.84	395.02	3.31	-60.53
CC1CC[N@H+]1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029785293	1	54	0.0	-64.61	400.38	3.54	-61.07
C[NH+](C)CC(O)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029785296	0	57	0.0	-71.06	422.02	1.65	-69.41
CC1C[N@H+](C)CC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)O1	REAL300029785316	1	58	0.0	-67.31	420.87	3.63	-63.68
CC1C[N@@H+](C)CC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)O1	REAL300029785316	1	58	0.0	-67.48	420.66	3.53	-63.95
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029785358	0	57	0.0	-66.98	418.96	4.34	-62.64
CC(CC[NH+](C)C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029785363	0	59	0.0	-68.43	429.47	4.51	-63.92
C[NH+]1CCN(CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)CC1	REAL300029785380	1	59	0.0	-68.29	428.43	2.12	-66.17
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CSC(N)=[NH2+]	REAL300029785402	0	48	0.0	-66.94	377.96	-0.52	-67.46
C[NH+](C)CCC1(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)CC1	REAL300029785430	0	60	0.0	-69.08	445.32	5.22	-63.86
C[N@@H+]1CC=CCC1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029785431	0	58	0.0	-68.08	420.71	4.63	-63.45
C[N@H+]1CC=CCC1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029785431	1	58	0.0	-61.59	415.36	4.49	-57.10
C[C@@H](OCC[NH+](C)C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029785443	0	60	0.0	-66.60	445.06	4.35	-62.25
CCC1CN(CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029785521	0	57	0.0	-66.53	422.04	4.45	-62.08
CCC1C[NH+](CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C1	REAL300029785521	1	57	0.0	-66.53	422.04	4.45	-62.08
C[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029785526	0	54	0.0	-64.87	389.15	3.14	-61.73
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC[N@@H+]1CCC(F)C1	REAL300029785532	0	57	0.0	-71.24	423.57	4.41	-66.83
CC1C(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)CC[N@@H+]1C	REAL300029785551	0	57	0.0	-66.80	406.59	3.80	-63.00
CC1C(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)CC[N@H+]1C	REAL300029785551	1	57	0.0	-66.80	406.59	3.80	-63.00
CN1CCOCC1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029785580	0	58	0.0	-64.24	412.55	2.28	-61.96
C[N@@H+]1CCOCC1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029785580	1	58	0.0	-63.74	412.52	2.28	-61.46
C[N@H+]1CCOCC1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029785580	1	58	0.0	-63.74	412.52	2.28	-61.46
C[N@@H+]1CCCC1C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029785750	0	54	0.0	-70.13	390.78	3.29	-66.84
CN1CCOC(C(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029785776	0	55	0.0	-85.85	405.11	2.98	-82.87
C[N@@H+]1CCOC(C(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029785776	1	55	0.0	-86.44	405.13	2.97	-83.47
C[N@H+]1CCOC(C(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029785776	1	55	0.0	-86.44	405.13	2.97	-83.47
CC1(C)CCN(C(=O)CC[NH+]2CCOCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029785927	1	58	0.0	-76.83	427.55	2.79	-74.04
CC1(C)CCN(C(=O)C23CCC[NH+]2CCC3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029785937	0	58	0.0	-66.67	409.95	4.07	-62.60
CC1(C)CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029785943	1	52	0.0	-79.47	401.36	5.90	-73.57
C[N@@H+]1CCC(CC(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029785969	0	57	0.0	-75.83	418.83	4.39	-71.44
C[N@H+]1CCC(CC(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029785969	1	57	0.0	-74.34	418.97	4.40	-69.94
CCC(C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029785976	0	56	0.0	-67.82	400.48	3.64	-64.18
C[NH+](C)CCCCC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029786011	0	59	0.0	-75.47	437.63	4.90	-70.57
CC(C)C(C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029786025	0	59	0.0	-70.35	411.99	4.13	-66.22
CCC[N@H+](C)CCC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029786026	0	59	0.0	-75.02	433.86	4.74	-70.28
CCC[N@@H+](C)CCC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029786026	1	59	0.0	-75.02	433.92	4.75	-70.27
CCC[N@H+](C)CC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029786029	0	56	0.0	-71.75	411.49	4.14	-67.61
CCC[N@@H+](C)CC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029786029	1	56	0.0	-71.76	411.50	4.14	-67.62
CC1(C)CCN(C(=O)C23CC[N@H+](C2)CCC3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029786043	0	58	0.0	-74.63	406.30	3.60	-71.03
CC1(C)CCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029786043	1	58	0.0	-58.28	403.89	3.63	-54.65
CC1CC[NH+](CC(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029786076	0	60	0.0	-72.57	434.85	5.22	-67.35
C[NH+](C)CC1(C(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029786115	0	57	0.0	-73.88	419.85	4.26	-69.62
CC[N@H+](C)CCC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029786134	0	56	0.0	-74.17	412.36	4.00	-70.17
CC[N@@H+](C)CCC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029786134	1	56	0.0	-74.24	412.36	4.01	-70.23
CC1(C)CCN(C(=O)C2C[NH+]3CCC2CC3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029786147	0	58	0.0	-80.63	409.70	4.24	-76.39
C[NH+]1CCC(C(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029786194	0	57	0.0	-77.47	416.61	4.29	-73.18
CC(C)[C@H](C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029786210	0	59	0.0	-70.17	414.54	4.41	-65.76
CC[NH+](CC)CC(F)C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029786263	0	59	0.0	-74.65	427.93	4.34	-70.31
C[NH+](C)C1(C(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300029786281	0	57	0.0	-74.57	397.19	3.57	-71.00
CCC(C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029786309	0	62	0.0	-64.63	434.94	4.90	-59.73
CC1CCC[N@@H+]1CC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029786319	0	57	0.0	-68.05	410.99	4.12	-63.93
CC1CCC[N@H+]1CC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029786319	1	57	0.0	-68.02	411.03	4.11	-63.91
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029786357	0	60	0.0	-67.33	427.00	4.61	-62.72
CC(C)[N@H+]1CCCC1C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029786357	1	60	0.0	-66.34	426.55	4.54	-61.80
CC(C)[C@@H](C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029786364	0	59	0.0	-70.38	409.56	4.40	-65.98
CC1CC[N@H+](CC(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029786377	0	57	0.0	-70.80	417.61	4.42	-66.38
CC1CC[N@@H+](CC(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029786377	1	57	0.0	-71.15	418.29	4.45	-66.70
CC1(C)CC[N@H+](CC(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029786381	0	60	0.0	-70.87	437.33	4.98	-65.89
CC1(C)CC[N@@H+](CC(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029786381	1	60	0.0	-71.40	437.86	4.98	-66.42
C[N@H+](CC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029786382	0	62	0.0	-71.90	440.10	5.13	-66.77
C[N@@H+](CC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029786382	1	62	0.0	-71.62	442.04	5.28	-66.34
CC[C@@H](C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029786390	0	56	0.0	-69.91	401.89	3.70	-66.21
CC1=[NH+]C=CN1CC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029786495	1	52	0.0	-67.67	400.68	4.30	-63.37
CC[N@@H+]1CCOC(C(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029786550	1	58	0.0	-74.43	416.18	3.47	-70.96
CC[N@H+]1CCOC(C(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029786550	1	58	0.0	-84.27	422.91	3.62	-80.65
CC1(C)CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029786579	0	52	0.0	-73.66	402.18	5.92	-67.74
CC1=C[NH+]=CN1CC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029786582	1	52	0.0	-70.56	401.00	5.03	-65.53
C[C@@H]1[C@H](C(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029786588	0	57	0.0	-77.71	407.98	3.71	-74.00
C[C@@H]1[C@H](C(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029786588	1	57	0.0	-73.92	409.73	4.41	-69.51
CC[C@@H]1[C@@H](C(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029786590	0	60	0.0	-59.47	429.44	4.33	-55.14
CC[C@@H]1[C@@H](C(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029786590	1	60	0.0	-72.08	427.68	4.69	-67.39
CC1CCC(C)[NH+]1CC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029786597	0	60	0.0	-67.73	428.95	4.59	-63.14
CC1(C)CCN(C(=O)CCC[NH+]2CCCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029786600	0	60	0.0	-72.91	440.56	5.20	-67.71
CC1(C)CCN(C(=O)CC[NH+]2CCCCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029786604	0	60	0.0	-73.38	436.28	5.21	-68.17
CC[N@@H+]1CCCCC1C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029786607	0	60	0.0	-70.33	422.56	4.62	-65.71
CC[N@H+]1CCCCC1C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029786607	1	60	0.0	-67.89	419.43	4.42	-63.47
C[N@H+](CC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029786698	0	57	0.0	-69.29	418.37	4.71	-64.58
C[N@@H+](CC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029786698	1	57	0.0	-69.30	418.43	4.71	-64.59
C[NH+]1CCC(C(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029786726	0	57	0.0	-77.47	416.61	4.29	-73.18
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029786754	0	54	0.0	-71.93	391.19	3.24	-68.69
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029786754	1	54	0.0	-68.41	391.99	3.46	-64.95
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029786771	1	56	0.0	-68.66	417.45	4.48	-64.18
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029786771	1	56	0.0	-69.86	424.27	4.90	-64.96
C[N@@H+]1CCCC1CCC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029786776	0	60	0.0	-77.26	439.73	5.27	-71.99
C[N@H+]1CCCC1CCC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029786776	1	60	0.0	-71.45	434.21	4.80	-66.65
C[N@@H+]1CCCCC1C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029786845	0	57	0.0	-67.72	412.68	4.30	-63.42
C[N@H+]1CCCCC1C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029786845	1	57	0.0	-67.59	412.04	4.26	-63.33
CC1C(C(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029786900	0	57	0.0	-71.57	413.13	4.00	-67.57
CC1C(C(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029786900	1	57	0.0	-71.59	409.69	3.80	-67.79
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029786954	0	60	0.0	-68.92	433.09	4.39	-64.53
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029786954	1	60	0.0	-69.33	413.06	3.62	-65.71
C[C@@H](C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029786968	0	53	0.0	-69.70	388.31	3.07	-66.63
C=CCC(C)(C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029786982	0	60	0.0	-76.71	421.01	4.49	-72.22
CC1(C)CCN(C(=O)CC[NH+]2CCCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029786997	0	57	0.0	-73.64	420.62	4.52	-69.12
C[N@H+](CCO)CC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029787006	1	54	0.0	-72.57	400.35	0.16	-72.41
C[N@@H+](CCO)CC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029787006	1	54	0.0	-72.37	400.14	0.17	-72.20
C[N@H+]1CC=C(CC(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029787059	0	58	0.0	-69.45	431.42	5.10	-64.35
C[N@@H+]1CC=C(CC(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029787059	1	58	0.0	-66.99	431.46	5.10	-61.89
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029787080	0	58	0.0	-67.13	414.28	0.22	-66.91
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029787080	1	58	0.0	-76.01	409.47	0.08	-75.93
CC1C[NH+](CC(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029787108	1	54	0.0	-71.99	403.57	3.82	-68.17
CC[N@@H+]1CCCC(C(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029787114	0	60	0.0	-63.81	425.00	4.99	-58.82
CC[N@H+]1CCCC(C(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029787114	1	60	0.0	-72.07	433.89	4.92	-67.15
CC1(C)CCN(C(=O)CC2=CC=C[NH+]=C2N)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029787118	0	53	0.0	-66.52	406.51	2.58	-63.94
CC1(C)CCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029787125	0	58	0.0	-72.03	422.42	4.65	-67.38
CC1(C)CCN(C(=O)C2CCC[N@H+]2C2CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029787125	1	58	0.0	-70.43	419.14	4.51	-65.92
CC1(C)CCN(C(=O)C=CC[NH+]2CCCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029787151	0	58	0.0	-76.15	433.51	5.16	-70.99
CC[N@H+](C)CC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029787194	0	53	0.0	-71.45	390.00	3.40	-68.05
CC1(C)CCN(C(=O)CN2CC3C=CC2C3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029787227	0	56	0.0	-67.47	411.38	4.63	-62.84
CC1(C)CCN(C(=O)C[N@@H+]2CC3C=CC2C3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029787227	1	56	0.0	-67.41	411.47	4.61	-62.80
CC1(C)CCN(C(=O)C[N@H+]2CC3C=CC2C3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029787227	1	56	0.0	-67.41	411.47	4.61	-62.80
CC(OCC[NH+](C)C)C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029787307	0	60	0.0	-60.42	444.15	4.32	-56.10
C[NH+](C)CCOCCC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029787314	0	60	0.0	-73.09	449.09	3.57	-69.52
COCCN(C)CC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029787316	0	57	0.0	-72.18	422.40	2.57	-69.61
COCC[N@H+](C)CC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029787316	1	57	0.0	-72.94	422.60	2.56	-70.38
COCC[N@@H+](C)CC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029787316	1	57	0.0	-72.94	422.60	2.56	-70.38
CC(CCC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029787319	0	59	0.0	-78.19	425.92	4.50	-73.69
CC[N@H+](CC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029787334	0	57	0.0	-69.05	418.69	4.73	-64.32
C[N@@H+]1CC2CC1(C(=O)N1CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029787360	0	55	0.0	-74.43	399.61	3.81	-70.62
CC1(C)CCN(C(=O)C[N@@H+]2CC3CCC2C3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029787369	0	58	0.0	-68.51	416.66	4.65	-63.86
CC1(C)CCN(C(=O)C[N@H+]2CC3CCC2C3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029787369	1	58	0.0	-68.51	416.66	4.65	-63.86
CC(C[NH+](C)C)C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029787383	0	56	0.0	-67.70	409.51	3.83	-63.87
CCN1CCC1C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029787418	0	54	0.0	-71.78	403.00	3.64	-68.14
CC[N@@H+]1CCC1C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029787418	1	54	0.0	-71.35	403.33	3.70	-67.65
CC[N@H+]1CCC1C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029787418	1	54	0.0	-71.35	403.33	3.70	-67.65
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029787427	0	62	0.0	-69.68	436.52	3.36	-66.32
CCCC(C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029787461	0	59	0.0	-68.54	421.99	4.40	-64.14
C[NH+](C)C(C)(C)C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029787465	0	56	0.0	-74.00	392.95	3.17	-70.83
CC(CC[NH+](C)C)C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029787478	0	59	0.0	-60.90	431.60	4.46	-56.44
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029787532	0	60	0.0	-68.43	433.53	4.71	-63.72
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029787532	1	60	0.0	-68.43	433.53	4.71	-63.72
C[NH+](C)CCCCCC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029787534	0	62	0.0	-74.44	459.13	5.69	-68.75
CN1CCN(CC(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029787541	0	59	0.0	-71.52	431.30	2.23	-69.29
C[NH+]1CCN(CC(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029787541	1	59	0.0	-71.52	431.30	2.23	-69.29
CC1CN(C)CC(C(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029787591	0	58	0.0	-65.51	427.27	3.74	-61.77
CC1C[N@H+](C)CC(C(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029787591	1	58	0.0	-63.42	419.78	3.31	-60.11
CC1C[N@@H+](C)CC(C(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029787591	1	58	0.0	-63.42	419.78	3.31	-60.11
C[N@@H+]1CCCCC1C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029787644	0	57	0.0	-67.59	412.04	4.26	-63.33
C[N@@H+]1CCC(=CC(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029787711	0	55	0.0	-75.69	410.03	4.27	-71.42
C[N@H+]1CCC(=CC(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029787711	1	55	0.0	-75.69	410.03	4.27	-71.42
CC1(C)CCN(C(=O)CNC2=CC=[NH+]C=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029787714	0	53	0.0	-73.16	408.04	1.99	-71.17
C[NH+](C)C1(C(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029787768	0	60	0.0	-68.50	411.92	3.79	-64.71
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029787787	0	54	0.0	-69.99	390.66	3.27	-66.72
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029787877	0	57	0.0	-73.69	421.47	4.46	-69.23
C[NH+](C)CCC1(C(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029787886	0	60	0.0	-76.93	443.60	5.05	-71.88
C[N@@H+]1CC=CCC1CC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029787887	0	58	0.0	-64.44	418.56	4.78	-59.66
C[N@H+]1CC=CCC1CC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029787887	1	58	0.0	-77.00	423.38	4.85	-72.15
C[NH+](C)CCOCC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029787920	0	57	0.0	-71.50	428.13	3.87	-67.63
CC1(C)CCN(C(=O)CN2C=CSC2=[NH2+])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029787946	0	50	0.0	-67.25	399.33	2.91	-64.34
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029787982	0	60	0.0	-68.88	443.57	4.27	-64.61
C[N@@H+]1CCCC(C(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029788010	0	57	0.0	-73.35	407.35	4.15	-69.20
C[N@H+]1CCCC(C(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029788010	1	57	0.0	-73.35	407.35	4.15	-69.20
CC1(C)CCN(C(=O)C[NH+]2CCCCCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029788011	0	60	0.0	-71.17	423.42	4.77	-66.40
CN1C=C[N+](CC(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029788014	0	52	0.0	-68.66	403.49	6.24	-62.42
CC1(C)CCN(C(=O)CN2CCC(O)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029788034	0	58	0.0	-77.31	425.10	1.25	-76.06
CC1(C)CCN(C(=O)C[NH+]2CCC(O)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029788034	1	58	0.0	-77.31	425.10	1.25	-76.06
C[N@H+](CC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029788035	0	54	0.0	-69.09	401.67	4.14	-64.95
CC1(C)CCN(C(=O)CC[N@@H+]2CCC(F)C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029788038	0	57	0.0	-79.18	426.49	4.59	-74.59
CC(CC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029788058	0	59	0.0	-74.40	429.29	4.80	-69.60
CN1CCOCC1CC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029788077	0	58	0.0	-66.93	415.49	2.45	-64.48
C[N@@H+]1CCOCC1CC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029788077	1	58	0.0	-80.27	422.80	2.59	-77.68
C[N@H+]1CCOCC1CC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029788077	1	58	0.0	-80.27	422.80	2.59	-77.68
CC1=CC(N)=NC=C1C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029788116	0	53	0.0	-74.48	403.25	2.00	-72.48
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029788116	1	53	0.0	-74.48	403.25	2.00	-72.48
CC1(O)CC[N@H+](CC(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029788145	0	58	0.0	-70.13	428.23	1.13	-69.00
C[NH+]1CC(CC(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029788171	0	54	0.0	-73.22	403.56	3.60	-69.62
C[N@H+](CCO)CCC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029788196	0	57	0.0	-73.24	422.67	0.78	-72.46
C[N@@H+](CCO)CCC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029788196	1	57	0.0	-73.24	422.67	0.78	-72.46
C[N@@H+]1CCCCC1CC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029788212	0	60	0.0	-63.96	424.06	4.83	-59.13
C[N@H+]1CCCCC1CC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029788212	1	60	0.0	-63.96	424.06	4.83	-59.13
CC1CCN1CC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029788225	0	54	0.0	-70.71	403.59	3.80	-66.91
CC1CC[N@@H+]1CC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029788225	1	54	0.0	-70.71	403.57	3.80	-66.91
CC1CC[N@H+]1CC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029788225	1	54	0.0	-70.71	403.57	3.80	-66.91
C[NH+](C)CC=CC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029788231	0	54	0.0	-77.30	408.42	4.00	-73.30
CC1(C)CN(CC(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029788237	0	57	0.0	-72.35	422.66	4.30	-68.05
CC1(C)C[NH+](CC(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029788237	1	57	0.0	-72.35	422.66	4.30	-68.05
C[NH+](C)CCSCC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029788256	0	57	0.0	-79.06	439.16	4.76	-74.30
CC1(C)CCN(C(=O)C[N@@H+]2CCCC2CO)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029788273	0	58	0.0	-71.08	427.09	1.28	-69.80
CC[NH+](CC)CC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029788277	0	56	0.0	-69.97	408.30	4.08	-65.89
CC1(C)CCN(C(=O)CN2CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029788286	0	51	0.0	-72.10	382.64	3.20	-68.90
CC1(C)CCN(C(=O)C[NH+]2CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029788286	1	51	0.0	-72.10	382.64	3.20	-68.90
CC[NH+](CC)CCC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029788316	0	59	0.0	-73.81	425.87	4.43	-69.38
CC(C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)N1CCC1	REAL300029788372	0	54	0.0	-69.53	392.79	3.30	-66.23
CC(C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029788372	1	54	0.0	-69.53	392.79	3.30	-66.23
CCC(CC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029788377	0	62	0.0	-64.80	447.50	5.40	-59.40
C[NH+](C)CC(C)(C)C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029788383	0	59	0.0	-73.38	410.44	3.95	-69.43
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029788417	0	57	0.0	-67.86	412.77	4.31	-63.55
C[NH+](C)CC(O)CC(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029788439	0	57	0.0	-78.09	424.75	1.80	-76.29
C=CCC(C(=O)N1CCC(C)(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029788460	0	57	0.0	-66.91	413.72	4.12	-62.79
C[NH+]1CCC(C)(C(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029788472	0	60	0.0	-58.91	418.80	4.29	-54.62
C[NH+](C)CCSCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1(C)C	REAL300029788532	0	57	0.0	-71.71	436.33	4.54	-67.17
C[N@@H+]1CCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029788682	0	42	0.0	-68.55	338.79	1.84	-66.71
CN1CCOC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029788706	0	43	0.0	-78.90	350.39	1.23	-77.67
C[N@@H+]1CCOC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029788706	1	43	0.0	-64.85	343.95	1.13	-63.72
C[N@H+]1CCOC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029788706	1	43	0.0	-64.85	343.95	1.13	-63.72
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029788908	1	49	0.0	-66.72	398.33	3.95	-62.77
CC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)[NH+]1CCCCCC1	REAL300029788916	0	51	0.0	-68.75	382.15	3.22	-65.53
CC(C)[N@@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029788919	0	51	0.0	-65.98	387.17	3.28	-62.70
CC(C)[N@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029788919	1	51	0.0	-67.28	379.99	3.36	-63.92
CC(C)[N@@H+]1CCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029788955	0	48	0.0	-67.58	371.98	2.88	-64.70
CC(C)[N@H+]1CCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029788955	1	48	0.0	-65.68	371.16	2.96	-62.72
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CC2CCCC[N@@H+]2C1	REAL300029788985	0	49	0.0	-69.58	380.18	3.52	-66.06
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CC2CCCC[N@H+]2C1	REAL300029788985	1	49	0.0	-72.45	381.51	3.45	-69.00
CC(C)C1=[NH+]C=CN1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029789025	1	46	0.0	-66.70	379.69	3.47	-63.23
CC1=[NH+]C=CN1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029789087	1	40	0.0	-67.64	343.40	2.37	-65.27
CC(C[NH+]1CCOCC1)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029789089	0	49	0.0	-69.09	384.98	1.57	-67.52
O=C(CCC[NH+]1CCCCC1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029789112	0	51	0.0	-66.31	400.16	4.10	-62.21
CC(C)(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)[NH+]1CCCCC1	REAL300029789153	0	51	0.0	-68.97	383.19	3.71	-65.26
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CC[N@@H+](C2CCCCC2)C1	REAL300029789156	0	55	0.0	-70.48	419.37	4.68	-65.80
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CC[N@H+](C2CCCCC2)C1	REAL300029789156	1	55	0.0	-72.97	419.14	4.62	-68.35
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1C[NH+]2CCC1CC2	REAL300029789174	0	46	0.0	-73.40	354.25	2.56	-70.84
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CCCC2CCC[N@@H+]21	REAL300029789241	0	49	0.0	-68.86	369.70	3.34	-65.52
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CCCC2CCC[N@H+]21	REAL300029789241	1	49	0.0	-67.78	369.75	3.35	-64.43
C[NH+](C)CCN1C=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C=N1	REAL300029789244	0	48	0.0	-74.97	398.99	2.35	-72.62
C[NH+](C)CCN1C=CC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)=N1	REAL300029789261	0	48	0.0	-81.27	397.73	2.30	-78.97
C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CC[N@@H+]1C	REAL300029789268	0	45	0.0	-75.84	349.62	1.76	-74.08
C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CC[N@H+]1C	REAL300029789268	1	45	0.0	-74.89	356.07	2.07	-72.82
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029789272	1	49	0.0	-66.85	398.99	3.98	-62.87
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CC[N@@H+]1C	REAL300029789275	0	48	0.0	-73.97	369.98	2.47	-71.50
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CC[N@H+]1C	REAL300029789275	1	48	0.0	-68.48	375.90	2.87	-65.61
CC[N@@H+]1CCOC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029789305	1	46	0.0	-66.26	369.85	1.94	-64.32
CC[N@H+]1CCOC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029789305	1	46	0.0	-70.66	369.81	1.94	-68.72
CC[NH+](CC)CC(F)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029789381	0	47	0.0	-69.07	377.00	2.87	-66.20
C[NH+](C)CC1=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)SC=C1	REAL300029789382	0	45	0.0	-62.22	379.53	3.35	-58.87
CC1CCC(C)[NH+]1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029789511	0	48	0.0	-70.36	360.59	2.40	-67.96
O=C(CCC[NH+]1CCCC1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029789522	0	48	0.0	-72.16	382.70	3.21	-68.95
C[NH+](C)CC1=CC=CC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)=C1	REAL300029789523	0	48	0.0	-75.39	391.04	4.26	-71.13
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CC1	REAL300029789533	0	47	0.0	-75.14	381.60	3.66	-71.48
O=C(CC[NH+]1CCCCC1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029789535	0	48	0.0	-72.49	377.81	3.18	-69.31
C[NH+](C)CC1=CC=CC=C1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029789539	0	48	0.0	-61.37	384.70	4.49	-56.88
CC[N@@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029789551	0	48	0.0	-68.02	373.74	2.98	-65.04
CC[N@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029789551	1	48	0.0	-66.27	373.68	2.99	-63.28
CC(C)C(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)[NH+]1CCCCC1	REAL300029789552	0	54	0.0	-64.22	403.21	4.81	-59.41
C[NH+](C)C(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1=CC=CC=C1	REAL300029789556	1	48	0.0	-66.20	386.69	4.39	-61.81
CC(C)C[N@@H+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029789583	0	51	0.0	-72.30	398.12	3.77	-68.53
CC(C)C[N@H+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029789583	1	51	0.0	-67.04	398.05	3.81	-63.23
C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CCC1	REAL300029789587	0	45	0.0	-63.00	347.08	2.46	-60.54
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CCC[N@@H+]1C1CCOCC1	REAL300029789590	0	53	0.0	-70.76	397.27	2.60	-68.16
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CCC[N@H+]1C1CCOCC1	REAL300029789590	1	53	0.0	-69.77	403.74	2.46	-67.31
C[NH+](C)C(CN1C=CC=N1)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029789592	1	48	0.0	-67.61	387.00	2.06	-65.55
CC(C)[N@@H+]1CCCC1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029789599	0	51	0.0	-63.57	382.22	3.32	-60.25
CC(C)[N@H+]1CCCC1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029789599	1	51	0.0	-63.19	394.10	3.50	-59.69
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CCC[N@@H+]1C1CCCC1	REAL300029789600	0	52	0.0	-71.35	391.23	4.09	-67.26
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CCC[N@H+]1C1CCCC1	REAL300029789600	1	52	0.0	-69.36	398.95	4.15	-65.21
CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)[NH+](C)C	REAL300029789630	0	47	0.0	-71.35	364.21	2.84	-68.51
C[N@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CCC1	REAL300029789703	0	45	0.0	-67.91	358.11	2.87	-65.04
C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CCC1	REAL300029789703	1	45	0.0	-68.71	358.59	2.83	-65.88
CC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)[NH+]1C(C)CCC1C	REAL300029789808	0	51	0.0	-60.19	381.39	2.91	-57.28
CN(CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1=CC=[NH+]C=C1	REAL300029789893	0	47	0.0	-70.12	388.35	2.41	-67.71
C[N@@H+]1CCCC1CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029789918	0	48	0.0	-67.04	382.12	3.36	-63.68
C[N@H+]1CCCC1CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029789918	1	48	0.0	-71.82	374.89	2.80	-69.02
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C12CCC[NH+](CCC1)C2	REAL300029789935	0	49	0.0	-68.32	371.06	3.05	-65.27
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CCC2CCCC[N@@H+]21	REAL300029789943	0	49	0.0	-69.25	373.87	3.25	-66.00
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CCC2CCCC[N@H+]21	REAL300029789943	1	49	0.0	-61.84	381.47	3.78	-58.06
CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029789955	0	52	0.0	-62.37	395.47	1.94	-60.43
CC[NH+](CC)CC1=CC=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)O1	REAL300029789972	0	51	0.0	-75.42	409.66	3.63	-71.79
O=C(CCCC[NH+]1CCCC1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029789977	0	51	0.0	-72.53	405.22	4.06	-68.47
C[N@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)CC1=CC=CC=C1	REAL300029789980	1	48	0.0	-76.39	390.47	4.35	-72.04
C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)CC1=CC=CC=C1	REAL300029789980	1	48	0.0	-76.67	389.73	4.37	-72.30
C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CC1	REAL300029789998	0	45	0.0	-74.93	358.46	2.42	-72.51
C[NH+](C)CC1=CC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)=NO1	REAL300029790071	1	44	0.0	-78.63	372.92	1.78	-76.85
CC1=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C=CC2=C[NH+]=CN21	REAL300029790073	0	43	0.0	-71.98	357.12	4.65	-67.33
C[N@@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029790132	1	45	0.0	-69.00	355.77	2.36	-66.64
C[N@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029790132	1	45	0.0	-67.34	354.98	2.40	-64.94
CC(C)C[N@@H+]1CCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029790169	0	51	0.0	-69.62	388.66	3.11	-66.51
CC(C)C[N@H+]1CCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029790169	1	51	0.0	-70.05	392.80	3.43	-66.62
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1=CN2C=[NH+]C=C2C=C1	REAL300029790358	0	40	0.0	-72.28	343.98	4.26	-68.02
CC1=[NH+]C=CN1CCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029790374	1	46	0.0	-63.35	385.62	3.77	-59.58
O=C(CCCC[NH+]1CCOCC1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029790378	1	52	0.0	-70.27	412.92	2.45	-67.82
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C=C1	REAL300029790384	0	48	0.0	-79.96	392.03	4.25	-75.71
O=C(CC[NH+]1CCOCC1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029790385	1	46	0.0	-75.99	369.13	0.77	-75.22
C[NH+](C)C(C)(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1=CC=CC=C1	REAL300029790407	0	51	0.0	-72.25	388.05	4.21	-68.04
CCC[NH+](CCC)CCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029790415	0	56	0.0	-67.19	432.74	4.78	-62.41
CC[N@H+](C)C(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1=CC=CC=C1	REAL300029790416	0	51	0.0	-70.96	401.22	4.69	-66.27
CC[N@@H+](C)C(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1=CC=CC=C1	REAL300029790416	1	51	0.0	-69.05	407.17	4.89	-64.16
CC1=C[NH+]=CN1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029790443	1	40	0.0	-71.58	342.60	3.04	-68.54
O=C(CN1C=[NH+]C2=C1CCCC2)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029790457	1	47	0.0	-66.44	385.25	4.92	-61.52
C[NH+](C)CC1(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CCCCC1	REAL300029790505	0	54	0.0	-69.41	397.46	4.06	-65.35
C[NH+](C)CCC1=CC=CC=C1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029790506	0	51	0.0	-62.54	405.93	5.04	-57.50
C[N@H+](CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CCCCC1	REAL300029790513	0	54	0.0	-66.58	413.09	4.44	-62.14
C[N@@H+](CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CCCCC1	REAL300029790513	1	54	0.0	-73.86	412.22	4.36	-69.50
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C12CCC[NH+]1CCC2	REAL300029790519	0	46	0.0	-63.52	357.20	2.64	-60.88
C[NH+](C)C1CCCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029790563	0	51	0.0	-64.93	384.66	3.50	-61.43
C[N@@H+]1CCC(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029790570	0	45	0.0	-68.52	361.22	2.45	-66.07
C[N@H+]1CCC(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029790570	1	45	0.0	-73.43	360.48	2.36	-71.07
CN(C)C1=CC=[NH+]C=C1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029790584	0	44	0.0	-71.31	364.39	1.65	-69.66
CCC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)[NH+](C)C	REAL300029790590	0	44	0.0	-68.68	342.65	1.89	-66.79
C[NH+](C)C1(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CCCC1	REAL300029790615	0	51	0.0	-66.57	378.53	3.29	-63.28
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1=CC2=C[NH+]=CN2C=C1	REAL300029790694	1	40	0.0	-69.59	345.10	4.38	-65.21
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300029790743	1	43	0.0	-81.50	372.74	2.22	-79.28
C[NH+](C)CCCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029790778	0	47	0.0	-74.06	378.40	2.91	-71.15
CC(C)C(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)[NH+](C)C	REAL300029790803	0	47	0.0	-66.46	361.47	2.55	-63.91
CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029790805	0	47	0.0	-66.67	376.24	2.81	-63.86
CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029790805	1	47	0.0	-66.50	376.24	2.81	-63.69
CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029790812	0	44	0.0	-71.99	353.04	2.16	-69.83
CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029790812	1	44	0.0	-72.40	352.26	2.20	-70.20
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C12CC[N@H+](C1)CCC2	REAL300029790845	0	46	0.0	-72.14	355.37	1.97	-70.17
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C12CC[N@@H+](C1)CCC2	REAL300029790845	1	46	0.0	-77.63	353.78	2.12	-75.51
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029790921	0	42	0.0	-64.48	333.69	1.41	-63.07
C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029790921	1	42	0.0	-68.64	339.29	1.84	-66.80
CC1CC2CCC(C(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3F)C[N@@H+]2C1	REAL300029790951	0	52	0.0	-59.26	396.78	4.38	-54.88
CC1CC2CCC(C(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3F)C[N@H+]2C1	REAL300029790951	1	52	0.0	-69.46	401.85	4.10	-65.36
CCCCCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029791011	0	53	0.0	-73.18	417.53	4.51	-68.67
CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029791011	1	53	0.0	-73.30	417.53	4.50	-68.80
CC[NH+](CC)C(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C(C)C	REAL300029791023	0	53	0.0	-65.81	392.08	4.36	-61.45
CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029791036	0	44	0.0	-62.34	350.77	2.21	-60.13
CCC[N@@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029791071	0	51	0.0	-70.90	397.51	3.78	-67.12
CCC[N@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029791071	1	51	0.0	-62.89	391.17	4.08	-58.81
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CCCC[N@@H+]1C1CCCC1	REAL300029791084	0	55	0.0	-65.72	410.84	4.53	-61.19
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CCCC[N@H+]1C1CCCC1	REAL300029791084	1	55	0.0	-66.92	410.57	4.60	-62.32
CC(C)[N@@H+]1CCOC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029791097	1	49	0.0	-74.52	377.84	2.25	-72.27
CC(C)[N@H+]1CCOC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029791097	1	49	0.0	-78.04	385.00	2.41	-75.63
CC1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CC1	REAL300029791141	0	48	0.0	-72.56	375.60	3.26	-69.30
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300029791175	1	43	0.0	-78.06	373.10	2.20	-75.86
C[NH+]1CCC(OCC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CC1	REAL300029791185	0	49	0.0	-76.58	392.31	2.93	-73.65
C[NH+](C)CC1(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CC1	REAL300029791205	0	45	0.0	-70.37	360.31	2.42	-67.95
CC1=[NH+]C=C2CCC(C(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3F)CN21	REAL300029791206	1	47	0.0	-66.44	380.66	3.53	-62.91
CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CC1	REAL300029791318	0	51	0.0	-71.48	387.60	3.46	-68.02
C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CC1	REAL300029791350	0	45	0.0	-74.93	358.46	2.42	-72.51
CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)[NH+](C)C	REAL300029791373	0	47	0.0	-64.42	363.13	3.04	-61.38
CCC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)[NH+](CC)CC	REAL300029791413	0	50	0.0	-65.61	379.09	3.09	-62.52
CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029791517	0	44	0.0	-66.04	354.77	2.05	-63.99
CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029791517	1	44	0.0	-65.91	354.77	2.06	-63.85
CC1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029791606	0	45	0.0	-63.95	352.34	2.23	-61.72
CC1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029791606	1	45	0.0	-69.48	357.92	2.47	-67.01
CC1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029791609	0	45	0.0	-71.11	359.23	2.43	-68.68
CC1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029791609	1	45	0.0	-71.00	359.34	2.44	-68.56
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029791610	0	51	0.0	-67.13	393.86	3.00	-64.13
CC(C)(C)[N@H+]1CCC(F)(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029791610	1	51	0.0	-64.33	396.44	3.17	-61.16
CC1=[NH+]C=C2CC(C(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3F)CCN21	REAL300029791612	1	47	0.0	-68.44	382.27	3.52	-64.92
C[NH+](C)CCC1=CC=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C=C1	REAL300029791614	0	51	0.0	-80.46	414.53	5.09	-75.37
CC1(C)CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029791616	0	48	0.0	-71.11	378.69	3.00	-68.11
CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029791616	1	48	0.0	-71.41	379.06	2.99	-68.42
C[N@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)CC(C)(C)C	REAL300029791617	0	50	0.0	-71.70	382.70	3.28	-68.42
C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)CC(C)(C)C	REAL300029791617	1	50	0.0	-71.79	383.59	3.31	-68.48
C[N@H+](CCC1=CC=CC=C1)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029791618	0	51	0.0	-68.81	413.79	5.29	-63.52
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029791618	1	51	0.0	-68.68	413.79	5.29	-63.39
CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)[NH+](C)C	REAL300029791630	0	44	0.0	-70.04	343.67	1.79	-68.25
CC(COCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)[NH+]1CCCC1	REAL300029791638	0	52	0.0	-68.93	410.89	3.59	-65.34
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CC[NH+](CC2CC2)CC1	REAL300029791755	0	52	0.0	-73.82	403.43	4.45	-69.37
C[NH+]1CCC(O)(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CC1	REAL300029791926	0	49	0.0	-66.89	385.18	1.14	-65.75
COCC[N@@H+]1CCCC1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029791935	0	52	0.0	-65.39	403.50	2.17	-63.22
COCC[N@H+]1CCCC1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029791935	1	52	0.0	-72.54	405.63	1.79	-70.75
C[NH+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029791943	0	38	0.0	-72.37	313.89	0.74	-71.63
O=C(C[NH+]1CCC(CO)CC1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029791949	1	49	0.0	-74.03	386.83	-0.04	-74.07
O=C(C[NH+]1CCCCCC1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029791953	0	48	0.0	-69.78	363.28	2.90	-66.88
CN1C=C[N+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)=C1	REAL300029791958	0	40	0.0	-68.82	345.19	4.26	-64.56
C[N@@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029791971	0	45	0.0	-70.87	356.86	2.47	-68.40
C[N@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029791971	1	45	0.0	-67.64	351.33	2.62	-65.02
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CCC[N@@H+]1C1CC1	REAL300029791976	0	46	0.0	-72.45	364.23	3.11	-69.34
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CCC[N@H+]1C1CC1	REAL300029791976	1	46	0.0	-66.65	368.99	3.27	-63.38
CC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)[NH+]1CCC1	REAL300029792017	1	42	0.0	-68.69	341.62	1.80	-66.89
CCC(CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C[NH+](C)C	REAL300029792029	0	50	0.0	-75.71	386.96	3.50	-72.21
C[NH+](C)CC(C)(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029792038	0	47	0.0	-70.37	359.96	2.49	-67.88
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C12CC(C1)C[N@@H+]2C1CC1	REAL300029792062	1	47	0.0	-58.49	369.08	3.37	-55.12
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C12CC(C1)C[N@H+]2C1CC1	REAL300029792062	1	47	0.0	-69.98	366.40	3.66	-66.32
O=C(C[NH+]1CCC(O)CC1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029792090	1	46	0.0	-76.59	365.87	-0.70	-77.29
C[N@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CC1	REAL300029792092	0	42	0.0	-67.34	341.29	2.29	-65.05
C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CC1	REAL300029792092	1	42	0.0	-69.59	343.21	2.16	-67.43
CC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)N1CC[NH+](C)CC1	REAL300029792093	1	50	0.0	-72.00	386.29	0.61	-71.39
C[NH+]1CC(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029792129	0	42	0.0	-73.16	345.41	1.58	-71.58
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CC[N@@H+]1C1CCCC1	REAL300029792133	0	49	0.0	-71.75	386.29	3.74	-68.01
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CC[N@H+]1C1CCCC1	REAL300029792133	1	49	0.0	-68.88	377.27	3.32	-65.56
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029792143	1	48	0.0	-67.93	374.43	2.49	-65.44
CC(C)(C)[N@H+]1CCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029792143	1	48	0.0	-63.29	359.01	2.01	-61.28
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300029792156	0	48	0.0	-68.89	388.42	1.31	-67.58
C[C@@H](C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)[NH+](C)C	REAL300029792160	0	41	0.0	-70.72	332.06	1.16	-69.56
CCC1CCC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029792219	0	51	0.0	-72.22	386.89	3.87	-68.35
CCC1CCC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029792219	1	51	0.0	-65.66	387.16	3.52	-62.14
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)N1	REAL300029792229	0	46	0.0	-80.41	380.38	2.21	-78.20
C[NH+]1C2CCC1CC(CC(=O)N[C@@H]1CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]1F)C2	REAL300029792246	0	52	0.0	-69.24	392.56	3.69	-65.55
C[NH+](C)C(CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1=CC=CC=C1	REAL300029792253	0	51	0.0	-78.47	404.01	4.77	-73.70
[NH2+]=C1SC=CN1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029792301	0	38	0.0	-68.67	340.11	0.95	-67.72
C[N@H+](CCO)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029792315	0	45	0.0	-65.57	365.10	-1.15	-66.72
C[N@@H+](CCO)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029792315	1	45	0.0	-66.18	365.05	-1.14	-67.32
C[C@@H](C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)[NH+](C)C	REAL300029792316	0	41	0.0	-70.72	332.06	1.16	-69.56
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029792321	1	45	0.0	-62.26	347.31	2.28	-59.98
C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029792321	1	45	0.0	-66.42	354.33	2.44	-63.98
CC1CN2CC[N@@H+]1CC2C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029792332	0	48	0.0	-74.95	365.32	-0.35	-75.30
CC1CN2CC[N@H+]1CC2C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029792332	1	48	0.0	-77.87	364.39	-0.32	-78.19
COC1C[N@@H+]2CCCC2(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029792387	0	50	0.0	-73.87	391.22	1.78	-72.09
COC1C[N@H+]2CCCC2(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029792387	1	50	0.0	-69.41	389.69	1.86	-67.55
O=C(CC1=CC2=C[NH+]=CN2C=C1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029792405	0	43	0.0	-70.23	368.29	4.94	-65.29
C[N@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CCSC1	REAL300029792442	0	46	0.0	-68.55	374.14	3.08	-65.47
C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CCSC1	REAL300029792442	1	46	0.0	-77.45	373.17	3.00	-74.45
C[NH+](C)CC1=CC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)=CC=N1	REAL300029792487	1	47	0.0	-67.35	388.80	2.90	-64.45
C[N@@H+]1CCC(=CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029792489	0	43	0.0	-70.20	352.55	2.42	-67.78
C[N@H+]1CCC(=CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029792489	1	43	0.0	-75.14	351.90	2.34	-72.80
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1C[NH+](C2CCCCC2)C1	REAL300029792520	0	52	0.0	-71.55	405.39	4.11	-67.44
C[NH+](C)CCOCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029792541	0	45	0.0	-70.81	369.68	1.80	-69.01
CCCCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029792549	0	53	0.0	-67.56	419.24	4.38	-63.18
CCCCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029792549	1	53	0.0	-67.46	419.24	4.38	-63.08
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)O1	REAL300029792561	0	49	0.0	-72.71	391.08	2.96	-69.75
C=CCC(C)(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)[NH+](C)C	REAL300029792573	0	48	0.0	-72.75	367.73	3.02	-69.73
C[S+](C)CCC(O)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029792578	0	44	0.0	-74.21	378.73	0.41	-73.80
CN1CC(O)CC1(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029792621	0	46	0.0	-72.15	360.82	-0.96	-73.11
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029792621	1	46	0.0	-76.15	360.39	-1.09	-77.24
C[N@H+]1CC(O)CC1(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029792621	1	46	0.0	-76.15	360.39	-1.09	-77.24
CN1CC[N@H+](C)CC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029792636	0	50	0.0	-68.80	385.08	0.51	-68.29
CN1CC[N@@H+](C)CC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029792636	1	50	0.0	-68.80	385.08	0.51	-68.29
CC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)N1CCCC(O)C1	REAL300029792637	0	49	0.0	-70.06	382.88	-0.14	-70.20
CC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)[N@@H+]1CCCC(O)C1	REAL300029792637	1	49	0.0	-68.19	382.03	-0.13	-68.32
CC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)[N@H+]1CCCC(O)C1	REAL300029792637	1	49	0.0	-68.19	382.03	-0.13	-68.32
O=C(CN1CCC(CO)CC1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029792655	0	49	0.0	-74.03	386.83	-0.04	-74.07
O=C(C[NH+]1CCC(CO)CC1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029792655	1	49	0.0	-74.03	386.83	-0.04	-74.07
C[N@@H+]1CCCC(O)(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029792666	0	49	0.0	-62.45	383.97	1.19	-61.26
C[N@H+]1CCCC(O)(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029792666	1	49	0.0	-62.45	383.97	1.19	-61.26
NC(=O)C1CCN(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CC1	REAL300029792676	0	49	0.0	-85.67	391.05	-0.67	-86.34
NC(=O)C1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CC1	REAL300029792676	1	49	0.0	-85.67	391.05	-0.67	-86.34
CN(CCO)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029792702	0	42	0.0	-72.81	341.89	-1.82	-74.63
C[N@H+](CCO)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029792702	1	42	0.0	-71.81	341.67	-1.82	-73.63
C[N@@H+](CCO)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029792702	1	42	0.0	-71.81	341.67	-1.82	-73.63
C[NH+]1C2CCC1CC(=CC(=O)N[C@@H]1CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]1F)C2	REAL300029792736	0	50	0.0	-70.99	387.06	3.69	-67.30
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1C[N@@H+]2CCN1CCC2	REAL300029792741	0	48	0.0	-78.46	361.93	0.07	-78.39
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1C[N@H+]2CCN1CCC2	REAL300029792741	1	48	0.0	-78.46	361.93	0.07	-78.39
CC[N@@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029792752	0	48	0.0	-65.91	369.77	3.24	-62.67
CC[N@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029792752	1	48	0.0	-65.91	369.77	3.24	-62.67
CC(CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C[NH+](C)C	REAL300029792754	0	47	0.0	-74.17	370.22	2.78	-71.39
CC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029792772	0	41	0.0	-70.36	330.09	1.50	-68.86
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C12CCC[N@@H+]1CCCC2	REAL300029792804	0	49	0.0	-65.72	367.61	3.39	-62.33
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C12CCC[N@H+]1CCCC2	REAL300029792804	1	49	0.0	-65.72	367.61	3.39	-62.33
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C12CCC[N@@H+]1CC=CC2	REAL300029792814	0	47	0.0	-72.63	360.06	3.62	-69.01
CC[N@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CC1	REAL300029792847	0	45	0.0	-68.50	362.23	2.84	-65.66
CC[N@@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CC1	REAL300029792847	1	45	0.0	-69.38	359.36	2.76	-66.62
C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CCCSC1	REAL300029792850	0	49	0.0	-75.50	375.29	3.19	-72.31
CC[NH+](CC)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029792872	0	47	0.0	-65.11	372.60	2.77	-62.34
C[NH+]1CCC(=CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CC1	REAL300029792894	0	46	0.0	-71.86	367.51	3.04	-68.82
O=C(CCCC[NH+]1CCCCC1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029792919	0	54	0.0	-72.59	420.89	4.77	-67.82
CC1(O)CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029792957	1	46	0.0	-66.81	369.61	-0.73	-67.54
CC1(O)CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029792957	1	46	0.0	-70.85	369.89	-0.83	-71.68
C[NH+](C)CC=CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029792970	0	42	0.0	-76.32	349.00	2.01	-74.31
CC(OCC[NH+](C)C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029793001	0	48	0.0	-72.09	387.89	2.57	-69.52
C[NH+](C)CCOCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029793014	0	48	0.0	-67.08	391.50	1.64	-65.44
COCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029793015	1	45	0.0	-70.54	362.47	0.67	-69.87
COCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029793015	1	45	0.0	-73.10	364.14	0.58	-72.52
COCCCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029793053	0	54	0.0	-70.28	431.41	2.67	-67.61
COCCCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029793053	1	54	0.0	-70.08	431.42	2.67	-67.41
C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CCCC1	REAL300029793081	0	48	0.0	-75.16	365.30	2.90	-72.26
CC(CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)[NH+](C)C	REAL300029793084	0	47	0.0	-66.44	371.96	2.57	-63.87
CC(C)[N@@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029793111	0	51	0.0	-62.85	393.52	3.65	-59.20
CC(C)[N@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029793111	1	51	0.0	-69.45	392.67	3.55	-65.90
CN1C=C[NH+]=C1N1CCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029793112	1	49	0.0	-66.90	399.09	3.30	-63.60
CC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)[N@H+](C)CC1=CC=CC=C1	REAL300029793119	0	51	0.0	-73.96	408.08	4.75	-69.21
CC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)[N@@H+](C)CC1=CC=CC=C1	REAL300029793119	1	51	0.0	-72.25	408.01	4.75	-67.50
O=C(C[N@H+]1CCCC1CO)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029793128	1	46	0.0	-62.54	369.53	-0.60	-63.14
O=C(C[N@@H+]1CCCC1CO)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029793128	1	46	0.0	-71.37	362.70	-1.14	-72.51
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CC2CCCC[N@@H+]2C1	REAL300029793161	0	49	0.0	-69.58	380.18	3.52	-66.06
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CC2CCCC[N@H+]2C1	REAL300029793161	1	49	0.0	-72.45	381.51	3.45	-69.00
C[NH+]1CCC(C)(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CC1	REAL300029793172	0	48	0.0	-67.64	370.27	2.86	-64.78
C[NH+](C)CC1=CNC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)=C1	REAL300029793179	0	46	0.0	-71.94	380.02	2.17	-69.77
CC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)[NH+]1CCC(O)CC1	REAL300029793201	1	49	0.0	-73.68	383.91	-0.33	-74.01
C#CC1(O)CC[NH+](C(C)C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CC1	REAL300029793210	1	51	0.0	-72.06	401.50	0.52	-71.54
C=CCC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)[NH+](C)C	REAL300029793222	0	45	0.0	-69.49	361.04	2.46	-67.03
C[NH+](C)C12CCC(C(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3F)(CC1)CC2	REAL300029793235	0	55	0.0	-76.81	403.54	3.99	-72.82
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029793243	0	48	0.0	-66.62	371.82	2.59	-64.03
C[N@H+]1CC(C)(C)CC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029793243	1	48	0.0	-67.90	379.59	2.99	-64.91
C[NH+](C)CCCCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029793248	0	50	0.0	-68.66	401.51	3.78	-64.88
O=C(C[NH+]1CC2CC2C1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029793260	1	43	0.0	-72.19	348.49	2.67	-69.52
CC1C[N@@H+](C2CCC2C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CCO1	REAL300029793281	0	53	0.0	-69.33	415.75	2.75	-66.58
CC1C[N@H+](C2CCC2C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CCO1	REAL300029793281	1	53	0.0	-73.53	404.97	2.91	-70.62
CC1C[N@@H+]2CCN1C(C(=O)N[C@@H]1CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]1F)C2	REAL300029793309	0	48	0.0	-68.45	356.94	0.32	-68.13
CC1C[N@H+]2CCN1C(C(=O)N[C@@H]1CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]1F)C2	REAL300029793309	1	48	0.0	-74.47	365.96	-0.17	-74.64
CCCC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)[NH+](C)C	REAL300029793311	0	47	0.0	-69.91	367.16	2.69	-67.22
C[NH+](C)C(C)(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029793317	0	44	0.0	-63.25	341.83	2.03	-61.22
CC[NH+](CC)CCSCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029793366	0	51	0.0	-74.98	411.94	3.78	-71.20
C[N@@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029793378	1	45	0.0	-69.00	355.77	2.36	-66.64
C[N@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029793378	1	45	0.0	-67.34	354.98	2.40	-64.94
C[N@H+]1CC=C(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CC1	REAL300029793440	0	46	0.0	-71.53	372.24	3.10	-68.43
C[N@@H+]1CC=C(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CC1	REAL300029793440	1	46	0.0	-69.91	371.15	3.21	-66.70
O=C(CC1([NH+]2CCCC2)CC1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029793453	0	49	0.0	-69.18	378.17	3.49	-65.69
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1(C[NH+]2CCCC2)CCCC1	REAL300029793480	0	55	0.0	-66.64	413.93	4.72	-61.92
C[N@@H+]1CCCC(C(C)(C)C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029793520	0	54	0.0	-69.59	397.01	3.54	-66.05
C[N@H+]1CCCC(C(C)(C)C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029793520	1	54	0.0	-69.59	397.01	3.54	-66.05
CN(C)CC1=CC=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)O1	REAL300029793525	0	45	0.0	-76.49	376.43	2.50	-73.99
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)O1	REAL300029793525	1	45	0.0	-76.49	376.43	2.50	-73.99
O=C(C=CC[NH+]1CCCC1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029793552	0	46	0.0	-74.49	375.37	3.15	-71.34
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CC[NH+](C2CC2)CC1	REAL300029793584	0	49	0.0	-72.33	383.32	3.63	-68.70
C[N@@H+]1CC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C(C(F)(F)F)C1	REAL300029793609	0	45	0.0	-73.64	361.27	3.04	-70.60
C[N@H+]1CC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C(C(F)(F)F)C1	REAL300029793609	1	45	0.0	-73.64	361.27	3.04	-70.60
O=C(CC[NH+]1CCCC1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029793615	0	45	0.0	-67.82	362.00	2.58	-65.24
CN1CC(N2CC(C(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3F)CC2=O)C1	REAL300029793626	0	50	0.0	-70.16	402.30	1.56	-68.60
C[NH+]1CC(N2CC(C(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3F)CC2=O)C1	REAL300029793626	1	50	0.0	-70.16	402.30	1.56	-68.60
CN1CC2CC1(C(=O)N[C@@H]1CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]1F)C2	REAL300029793688	0	43	0.0	-71.01	345.08	1.98	-69.03
C[N@@H+]1CC2CC1(C(=O)N[C@@H]1CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]1F)C2	REAL300029793688	1	43	0.0	-63.20	345.42	1.97	-61.23
C[N@H+]1CC2CC1(C(=O)N[C@@H]1CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]1F)C2	REAL300029793688	1	43	0.0	-63.20	345.42	1.97	-61.23
CC1=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C=NN1CC[NH+](C)C	REAL300029793704	0	51	0.0	-79.90	414.02	2.80	-77.10
O=C(C[N@@H+]1CC2CCC1C2)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029793707	0	46	0.0	-69.95	360.53	2.86	-67.09
CC(C)[NH+]1CCC(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CC1	REAL300029793724	0	54	0.0	-65.42	408.54	4.17	-61.25
O=C(C=C1C[NH+]2CCC1CC2)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029793779	0	47	0.0	-67.67	370.31	3.17	-64.50
C[NH+](C)CC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1=CC=CC=C1	REAL300029793837	0	51	0.0	-77.37	409.09	4.84	-72.53
CC(C[NH+](C)C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029793871	0	44	0.0	-66.53	351.14	2.15	-64.38
C[N@@H+]1CCCCC1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029793983	0	48	0.0	-67.50	364.73	2.84	-64.66
C[N@H+]1CCCCC1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029793983	1	48	0.0	-74.56	372.27	2.97	-71.59
CC1=C2C=C(C(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3F)C=CN2C=[NH+]1	REAL300029794006	1	43	0.0	-67.31	367.01	4.94	-62.37
CC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)[NH+]1CC(C)C1	REAL300029794007	1	45	0.0	-68.69	362.48	2.39	-66.30
C[NH+](C)CC(O)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029794016	0	45	0.0	-76.57	366.38	-0.22	-76.79
CC1C[N@H+](C)CC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)O1	REAL300029794058	1	46	0.0	-82.56	371.64	1.96	-80.60
CC1C[N@@H+](C)CC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)O1	REAL300029794058	1	46	0.0	-77.30	365.24	1.77	-75.53
O=C(CC[NH+]1CCC(O)CC1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029794072	0	49	0.0	-68.62	389.74	-0.07	-68.69
CCC[N@@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029794075	0	51	0.0	-68.24	395.08	3.76	-64.48
CCC[N@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029794075	1	51	0.0	-69.22	385.72	3.58	-65.64
CC[NH+]1CCN(CCC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CC1	REAL300029794080	0	53	0.0	-72.09	411.55	1.46	-70.63
CCN1CC[NH+](CCC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CC1	REAL300029794080	1	53	0.0	-74.02	411.33	1.28	-72.74
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300029794083	0	52	0.0	-73.07	383.42	3.55	-69.52
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300029794083	1	52	0.0	-63.99	388.52	4.24	-59.75
CC(C)C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CC1	REAL300029794137	0	54	0.0	-75.52	414.99	4.50	-71.02
C[NH+](C)C1CCN(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CC1	REAL300029794170	0	53	0.0	-72.99	406.81	1.50	-71.49
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029794195	0	45	0.0	-71.10	363.50	2.48	-68.62
CC(CC[NH+](C)C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029794205	0	47	0.0	-72.46	373.85	2.66	-69.80
C[N@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)[C@@H]1CCC[C@H]1O	REAL300029794243	0	49	0.0	-69.43	384.89	-0.04	-69.47
C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)[C@@H]1CCC[C@H]1O	REAL300029794243	1	49	0.0	-69.63	384.66	0.14	-69.49
C[NH+](C)C(CC1=CC=CC=C1)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029794259	0	51	0.0	-77.65	398.32	4.60	-73.05
C[NH+]1CCN(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CC1	REAL300029794261	1	47	0.0	-73.01	372.06	0.29	-72.72
CC[NH+]1CCN(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CC1	REAL300029794274	0	50	0.0	-71.86	389.68	0.94	-70.92
NC(=[NH2+])SCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029794307	0	36	0.0	-73.48	322.52	-2.38	-75.86
CC[N@@H+]1CCOCC1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029794362	0	49	0.0	-75.62	381.15	1.25	-74.37
C[NH+](C)CCC1(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CCCC1	REAL300029794384	0	54	0.0	-67.23	409.08	4.53	-62.70
CC1CCCC(C)[NH+]1CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029794386	0	54	0.0	-68.80	407.36	3.86	-64.94
C[NH+](C)C1CCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CC1	REAL300029794389	0	51	0.0	-74.62	391.18	3.70	-70.92
C[NH+](C)CCC1(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CC1	REAL300029794390	0	48	0.0	-76.14	388.58	3.34	-72.80
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CC1	REAL300029794394	0	51	0.0	-70.12	386.10	3.44	-66.68
C[N@@H+]1CC=CCC1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029794395	0	46	0.0	-65.01	359.20	2.78	-62.23
C[N@H+]1CC=CCC1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029794395	1	46	0.0	-65.01	359.20	2.78	-62.23
C[C@@H](OCC[NH+](C)C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029794432	0	48	0.0	-68.73	388.70	2.52	-66.21
C[NH+]1C2CCC1CC(C(=O)N[C@@H]1CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]1F)C2	REAL300029794476	0	49	0.0	-71.11	355.92	3.29	-67.82
C[NH+]1CCC(O)(C2(C(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3F)CC2)CC1	REAL300029794604	0	53	0.0	-67.91	404.32	1.68	-66.23
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1(CC[NH+]2CCCCC2)CC1	REAL300029794633	0	55	0.0	-59.51	432.21	5.24	-54.27
CCC1C[NH+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029794662	1	45	0.0	-71.37	364.98	2.70	-68.67
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1C[NH+](C2CCOCC2)C1	REAL300029794664	0	50	0.0	-76.97	395.93	1.76	-75.21
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1([NH+]2CCCC2)CCC1	REAL300029794666	0	49	0.0	-60.00	376.78	3.63	-56.37
C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029794678	1	42	0.0	-66.96	333.69	1.39	-65.57
O=C(CC[N@@H+]1CCC(F)C1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029794688	1	45	0.0	-68.15	368.95	2.64	-65.51
COC1CN(C)C(C)(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029794699	0	49	0.0	-59.02	385.92	1.35	-57.67
COC1C[N@H+](C)C(C)(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029794699	1	49	0.0	-74.60	383.95	1.19	-73.41
COC1C[N@@H+](C)C(C)(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029794699	1	49	0.0	-59.02	385.92	1.35	-57.67
O=C(CC[NH+]1CCCCCC1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029794713	0	51	0.0	-67.16	388.66	3.47	-63.69
O=C(C[NH+]1CCCCC1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029794717	1	45	0.0	-63.57	356.40	2.72	-60.85
CC1C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CC[N@@H+]1C	REAL300029794727	0	45	0.0	-71.28	360.30	2.16	-69.12
CC1C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)CC[N@H+]1C	REAL300029794727	1	45	0.0	-71.46	354.11	1.87	-69.59
C[N@@H+]1CCCCC1CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029794730	0	51	0.0	-64.68	388.61	3.59	-61.09
C[N@H+]1CCCCC1CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029794730	1	51	0.0	-67.43	388.62	3.59	-63.84
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CC[N@@H+]2CCOCC12	REAL300029794775	0	47	0.0	-65.01	367.45	1.11	-63.90
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CC[N@H+]2CCOCC12	REAL300029794775	1	47	0.0	-72.09	369.59	0.92	-71.17
CC1=[NH+]C=C2C=CC(C(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3F)=CN21	REAL300029794784	0	43	0.0	-68.53	365.39	4.04	-64.49
CN1CCOCC1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029794807	0	46	0.0	-78.14	363.64	0.60	-77.54
C[N@@H+]1CCOCC1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029794807	1	46	0.0	-69.18	365.29	0.67	-68.51
C[N@H+]1CCOCC1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029794807	1	46	0.0	-78.14	363.64	0.60	-77.54
CC1=C(C)[NH+]=C(CCC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)N1	REAL300029794821	1	46	0.0	-67.23	384.21	2.04	-65.19
C[NH+](C)CCC1=CC=CC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)=C1	REAL300029794834	0	51	0.0	-76.35	413.59	5.10	-71.25
CC(C)C[N@@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029794843	0	54	0.0	-66.90	415.03	4.56	-62.34
CC(C)C[N@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C1	REAL300029794843	1	54	0.0	-67.52	407.83	4.70	-62.82
C[N@@H+]1CCCC1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029795006	0	42	0.0	-71.11	334.95	1.32	-69.79
C[N@H+]1CCCC1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029795006	1	42	0.0	-69.23	337.37	1.69	-67.54
C[N@@H+]1CCOC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029795031	1	43	0.0	-70.27	341.91	1.01	-69.26
C[N@H+]1CCOC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029795031	1	43	0.0	-78.29	341.60	0.95	-77.34
CC1=[NH+]C=CN1CCCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029795205	1	46	0.0	-68.66	387.24	3.78	-64.88
O=C(CCCC[NH+]1CCOCC1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029795209	1	52	0.0	-76.65	415.94	2.63	-74.02
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C=C1	REAL300029795215	0	48	0.0	-85.96	388.96	3.88	-82.08
O=C(CC[NH+]1CCOCC1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029795216	1	46	0.0	-74.57	371.06	0.83	-73.74
C[NH+](C)C(C)(C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)C1=CC=CC=C1	REAL300029795238	0	51	0.0	-73.89	386.15	4.71	-69.18
CCC[NH+](CCC)CCCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029795246	0	56	0.0	-72.02	434.38	4.79	-67.23
CC[N@H+](C)C(C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)C1=CC=CC=C1	REAL300029795247	0	51	0.0	-64.69	399.73	4.67	-60.02
CC[N@@H+](C)C(C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)C1=CC=CC=C1	REAL300029795247	1	51	0.0	-69.95	402.33	4.97	-64.98
O=C(N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029795268	0	46	0.0	-67.33	354.39	2.56	-64.77
O=C(N[C@@H]1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029795288	1	40	0.0	-79.38	351.57	4.30	-75.08
C[NH+](C)C1CCCC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029795378	0	51	0.0	-68.20	386.86	3.62	-64.58
C[N@@H+]1CCC(CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029795385	0	45	0.0	-73.77	362.86	2.53	-71.24
C[N@H+]1CCC(CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029795385	1	45	0.0	-71.36	363.09	2.47	-68.89
CN(C)C1=CC=[NH+]C=C1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029795399	0	44	0.0	-76.57	366.18	0.97	-75.60
CCC(C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)[NH+](C)C	REAL300029795405	0	44	0.0	-71.00	345.72	2.01	-68.99
O=C(N[C@@H]1CN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029795415	1	43	0.0	-86.78	372.69	2.57	-84.21
CC1CC2CCC(C(=O)N3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H](F)C3)C[N@@H+]2C1	REAL300029795470	0	52	0.0	-69.17	403.32	4.04	-65.13
CC1CC2CCC(C(=O)N3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H](F)C3)C[N@H+]2C1	REAL300029795470	1	52	0.0	-69.15	395.58	4.17	-64.98
C[NH+](C)CCCCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029795510	0	47	0.0	-74.49	383.04	3.17	-71.32
CC(C)C(C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)[NH+](C)C	REAL300029795537	0	47	0.0	-68.03	358.19	2.42	-65.61
CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029795539	0	47	0.0	-74.65	378.21	2.97	-71.68
CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029795539	1	47	0.0	-74.72	378.22	2.96	-71.76
CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029795546	0	44	0.0	-72.24	355.84	2.38	-69.86
CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029795546	1	44	0.0	-72.23	355.78	2.38	-69.85
O=C(N[C@@H]1CN(C(=O)C23CC[N@H+](C2)CCC3)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029795579	0	46	0.0	-69.96	350.01	1.87	-68.09
O=C(N[C@@H]1CN(C(=O)C23CC[N@@H+](C2)CCC3)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029795579	1	46	0.0	-73.29	349.48	1.82	-71.47
CCCCCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029795635	0	53	0.0	-73.46	420.34	4.72	-68.74
CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029795635	1	53	0.0	-73.45	420.28	4.72	-68.73
CC[NH+](CC)C(C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)C(C)C	REAL300029795647	0	53	0.0	-62.72	390.40	3.50	-59.22
CC1CC[NH+](CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)CC1	REAL300029795695	0	48	0.0	-72.50	379.37	3.41	-69.09
O=C(N[C@@H]1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029795729	1	43	0.0	-80.75	369.80	1.92	-78.83
C[NH+]1CCC(OCC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)CC1	REAL300029795739	0	49	0.0	-76.95	396.05	3.07	-73.88
O=C(N[C@@H]1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029795815	0	49	0.0	-70.55	380.20	3.46	-67.09
O=C(N[C@@H]1CN(C(=O)C2CC3CCCC[N@H+]3C2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029795815	1	49	0.0	-68.47	379.57	3.41	-65.06
C[NH+](C)CC1(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)CC1	REAL300029795836	0	45	0.0	-73.02	365.70	2.61	-70.41
CC1=[NH+]C=C2CCC(C(=O)N3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H](F)C3)CN21	REAL300029795837	1	47	0.0	-68.49	384.01	3.42	-65.07
CC(C)[NH+]1CCC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)CC1	REAL300029795850	0	51	0.0	-75.24	395.47	3.66	-71.58
CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029795890	0	44	0.0	-73.94	356.72	2.22	-71.72
CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029795890	1	44	0.0	-74.02	356.71	2.22	-71.80
CC(C)(C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)[NH+]1CCCCC1	REAL300029795933	0	51	0.0	-69.24	375.47	3.76	-65.48
O=C(N[C@@H]1CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029795936	0	55	0.0	-71.99	419.02	4.77	-67.22
O=C(N[C@@H]1CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029795936	1	55	0.0	-71.29	417.50	4.74	-66.55
O=C(N[C@@H]1CN(C(=O)C2C[NH+]3CCC2CC3)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029795954	0	46	0.0	-78.42	352.91	2.44	-75.98
C[NH+]1CCC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)CC1	REAL300029796059	0	45	0.0	-77.52	356.78	2.36	-75.16
CC(C)[C@H](C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)[NH+](C)C	REAL300029796082	0	47	0.0	-69.69	356.94	2.37	-67.32
O=C(N[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029796190	0	52	0.0	-74.97	406.47	4.32	-70.65
CC[NH+](CC)CC(F)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029796244	0	47	0.0	-71.65	375.57	2.67	-68.98
C[NH+](C)CC1=C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)SC=C1	REAL300029796245	0	45	0.0	-60.09	376.83	3.26	-56.83
CC(C)C[N@@H+]1CCC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029796295	0	51	0.0	-72.12	397.24	3.82	-68.30
CC(C)C[N@H+]1CCC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029796295	1	51	0.0	-73.53	398.57	3.76	-69.77
C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)CCC1	REAL300029796299	0	45	0.0	-72.54	342.93	1.64	-70.90
CCC(C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)[NH+](CC)CC	REAL300029796341	0	50	0.0	-65.72	377.48	3.18	-62.54
CC1CCC[N@@H+]1CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029796374	0	45	0.0	-68.46	355.20	2.35	-66.11
CC1CCC[N@H+]1CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029796374	1	45	0.0	-68.69	356.38	2.39	-66.30
CC(C)C1=[NH+]C=CN1CCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029796487	1	49	0.0	-64.81	401.74	4.03	-60.78
CC(C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)[NH+]1CCCCCC1	REAL300029796495	0	51	0.0	-66.45	384.04	3.23	-63.22
CC(C)[N@@H+]1CCCCC1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029796498	0	51	0.0	-65.24	389.14	3.43	-61.81
CC(C)[N@H+]1CCCCC1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029796498	1	51	0.0	-65.84	379.61	3.20	-62.64
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029796534	0	48	0.0	-68.88	366.00	3.07	-65.81
CC(C)[N@H+]1CCCC1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029796534	1	48	0.0	-64.32	363.98	3.12	-61.20
O=C(N[C@@H]1CN(C(=O)C2CCC[N@@H+]2C2CCOCC2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029796543	0	53	0.0	-71.92	405.20	2.36	-69.56
O=C(N[C@@H]1CN(C(=O)C2CCC[N@H+]2C2CCOCC2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029796543	1	53	0.0	-71.57	405.26	2.37	-69.20
C[NH+](C)C(CN1C=CC=N1)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029796545	1	48	0.0	-68.00	385.79	2.04	-65.96
CC(C)[N@@H+]1CCCC1CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029796552	0	51	0.0	-68.68	394.15	3.48	-65.20
CC(C)[N@H+]1CCCC1CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029796552	1	51	0.0	-65.43	388.12	3.15	-62.28
O=C(N[C@@H]1CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029796553	0	52	0.0	-68.39	395.35	4.36	-64.03
O=C(N[C@@H]1CN(C(=O)C2CCC[N@H+]2C2CCCC2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029796553	1	52	0.0	-68.01	401.36	4.25	-63.76
CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)[NH+](C)C	REAL300029796583	0	47	0.0	-69.71	360.58	2.88	-66.83
CC1CC[N@H+](CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029796621	0	45	0.0	-70.93	362.35	2.56	-68.37
CC1CC[N@@H+](CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029796621	1	45	0.0	-71.55	362.32	2.65	-68.90
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029796622	0	51	0.0	-63.91	393.89	2.97	-60.94
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029796622	1	51	0.0	-64.58	393.20	3.30	-61.28
CC1=[NH+]C=C2CC(C(=O)N3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H](F)C3)CCN21	REAL300029796624	1	47	0.0	-66.65	386.51	3.66	-62.99
C[NH+](C)CCC1=CC=C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C=C1	REAL300029796626	0	51	0.0	-86.36	411.46	4.73	-81.63
CC1(C)CC[N@H+](CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029796628	0	48	0.0	-71.58	381.71	3.14	-68.44
CC1(C)CC[N@@H+](CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029796628	1	48	0.0	-71.43	380.99	3.15	-68.28
C[N@H+](CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)CC(C)(C)C	REAL300029796629	0	50	0.0	-72.32	383.94	3.32	-69.00
C[N@@H+](CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)CC(C)(C)C	REAL300029796629	1	50	0.0	-71.57	386.69	3.54	-68.03
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029796630	0	51	0.0	-76.38	416.82	5.45	-70.93
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029796630	1	51	0.0	-74.51	415.41	5.29	-69.22
CC[C@@H](C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)[NH+](C)C	REAL300029796642	0	44	0.0	-67.96	343.48	1.84	-66.12
CC(COCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)[NH+]1CCCC1	REAL300029796650	0	52	0.0	-72.68	415.35	3.71	-68.97
CN(CCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)C1=CC=[NH+]C=C1	REAL300029796835	0	47	0.0	-70.18	390.72	2.53	-67.65
CC1=[NH+]C=CN1CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029796977	1	40	0.0	-68.66	347.18	2.61	-66.05
CC(C[NH+]1CCOCC1)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029796979	0	49	0.0	-75.32	387.89	1.55	-73.77
O=C(CCC[NH+]1CCCCC1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029797002	0	51	0.0	-73.30	403.19	4.27	-69.03
C[NH+](C)CC1=CC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)=NO1	REAL300029797028	1	44	0.0	-81.07	372.06	2.15	-78.92
CC1=C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C=CC2=C[NH+]=CN21	REAL300029797030	0	43	0.0	-71.06	369.48	4.79	-66.27
CC(C)C1=[NH+]C=CN1CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029797094	1	46	0.0	-67.17	383.33	3.73	-63.44
O=C(N[C@@H]1CN(C(=O)C2CCCC3CCC[N@@H+]32)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029797159	0	49	0.0	-65.12	376.12	3.44	-61.68
O=C(N[C@@H]1CN(C(=O)C2CCCC3CCC[N@H+]32)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029797159	1	49	0.0	-68.31	368.93	3.10	-65.21
CC[N@@H+]1CCOC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029797208	1	46	0.0	-67.73	359.77	1.94	-65.79
CC[N@H+]1CCOC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029797208	1	46	0.0	-76.95	366.72	1.84	-75.11
O=C(N[C@@H]1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029797302	0	40	0.0	-77.06	351.38	4.27	-72.79
CC1=C[NH+]=CN1CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029797307	1	40	0.0	-71.16	347.44	3.35	-67.81
C[NH+](C)CCN1C=C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C=N1	REAL300029797313	0	48	0.0	-82.17	394.81	1.98	-80.19
C[NH+](C)CCN1C=CC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)=N1	REAL300029797330	0	48	0.0	-84.92	398.31	2.70	-82.22
C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)CC[N@@H+]1C	REAL300029797337	0	45	0.0	-73.77	350.89	1.86	-71.91
C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)CC[N@H+]1C	REAL300029797337	1	45	0.0	-69.50	358.08	2.04	-67.46
CCC1=[NH+]C=CN1C(C)CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029797341	1	49	0.0	-65.04	402.21	4.08	-60.96
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)CC[N@@H+]1C	REAL300029797344	0	48	0.0	-73.50	369.83	2.52	-70.98
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)CC[N@H+]1C	REAL300029797344	1	48	0.0	-73.05	375.34	2.86	-70.19
CC1CCC(C)[NH+]1CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029797376	0	48	0.0	-67.95	363.91	2.47	-65.48
O=C(CCC[NH+]1CCCC1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029797387	0	48	0.0	-70.96	386.10	3.41	-67.55
C[NH+](C)CC1=CC=CC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)=C1	REAL300029797388	0	48	0.0	-77.46	388.81	3.88	-73.58
C#CC[NH+]1CCC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)CC1	REAL300029797399	0	47	0.0	-77.86	381.39	3.52	-74.34
O=C(CC[NH+]1CCCCC1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029797401	0	48	0.0	-73.32	380.50	3.44	-69.88
C[NH+](C)CC1=CC=CC=C1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029797406	0	48	0.0	-60.79	385.03	4.32	-56.47
CC[N@@H+]1CCCCC1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029797418	0	48	0.0	-68.91	362.55	2.63	-66.28
CC[N@H+]1CCCCC1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029797418	1	48	0.0	-66.99	374.68	3.00	-63.99
CC(C)C(C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)[NH+]1CCCCC1	REAL300029797419	0	54	0.0	-69.10	401.96	4.43	-64.67
C[NH+](C)C(C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)C1=CC=CC=C1	REAL300029797423	1	48	0.0	-70.42	388.07	4.19	-66.23
O=C(CN1C=[NH+]C2=C1CCCC2)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029797433	1	47	0.0	-69.67	388.09	5.04	-64.63
C[NH+](C)CC1(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)CCCCC1	REAL300029797482	0	54	0.0	-77.96	388.75	4.45	-73.51
C[NH+](C)CCC1=CC=CC=C1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029797483	0	51	0.0	-72.52	411.55	4.87	-67.65
C[N@H+](CCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)C1CCCCC1	REAL300029797490	0	54	0.0	-74.63	415.04	4.60	-70.03
C[N@@H+](CCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)C1CCCCC1	REAL300029797490	1	54	0.0	-74.91	415.03	4.59	-70.32
C[NH+](C)C1(CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)CCCC1	REAL300029797494	0	51	0.0	-74.47	379.95	3.38	-71.09
C[N@@H+]1CCCC1C1=CC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)=NN1	REAL300029797511	1	49	0.0	-79.18	400.33	2.18	-77.00
C[N@H+]1CCCC1C1=CC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)=NN1	REAL300029797511	1	49	0.0	-79.21	390.56	1.74	-77.47
C[N@H+](CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)C1CCC1	REAL300029797786	0	45	0.0	-70.00	362.70	2.96	-67.04
C[N@@H+](CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)C1CCC1	REAL300029797786	1	45	0.0	-70.00	362.79	2.96	-67.04
CC(C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)[NH+]1C(C)CCC1C	REAL300029797828	0	51	0.0	-66.17	390.07	3.39	-62.78
CC[NH+](CC)CC1=CC=C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)O1	REAL300029797845	0	51	0.0	-80.51	414.14	4.06	-76.45
O=C(CCCC[NH+]1CCCC1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029797850	0	51	0.0	-73.19	409.01	4.35	-68.84
C[N@H+](CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)CC1=CC=CC=C1	REAL300029797853	1	48	0.0	-74.63	392.92	4.45	-70.18
C[N@@H+](CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)CC1=CC=CC=C1	REAL300029797853	1	48	0.0	-76.90	394.40	4.61	-72.29
C[NH+]1CCC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)CC1	REAL300029797871	0	45	0.0	-77.52	356.78	2.36	-75.16
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029797957	0	42	0.0	-71.57	335.21	1.48	-70.09
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029797957	1	42	0.0	-67.97	337.77	1.66	-66.31
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029797982	1	44	0.0	-68.56	363.02	2.71	-65.85
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029797982	1	44	0.0	-68.95	366.20	3.10	-65.85
C[N@@H+]1CCCC1CCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029797993	0	48	0.0	-75.08	385.14	3.52	-71.56
C[N@H+]1CCCC1CCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029797993	1	48	0.0	-75.18	383.48	3.43	-71.75
O=C(N[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029798010	0	49	0.0	-73.30	361.63	2.47	-70.83
O=C(N[C@@H]1CN(C(=O)C2CCC3CCCC[N@@H+]32)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029798018	0	49	0.0	-66.48	380.26	3.78	-62.70
O=C(N[C@@H]1CN(C(=O)C2CCC3CCCC[N@H+]32)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029798018	1	49	0.0	-68.37	376.77	3.43	-64.94
CCC[N@@H+]1CCCC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029798136	0	51	0.0	-63.59	389.68	3.66	-59.93
CCC[N@H+]1CCCC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029798136	1	51	0.0	-68.15	399.79	3.73	-64.42
O=C(N[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029798149	0	55	0.0	-66.76	405.26	4.57	-62.19
O=C(N[C@@H]1CN(C(=O)C2CCCC[N@H+]2C2CCCC2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029798149	1	55	0.0	-66.35	408.96	5.12	-61.23
CC(C)[N@@H+]1CCOC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029798162	1	49	0.0	-67.95	376.46	2.14	-65.81
CC(C)[N@H+]1CCOC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029798162	1	49	0.0	-75.05	383.49	2.33	-72.72
CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029798186	0	52	0.0	-72.55	388.04	1.60	-70.95
C[N@@H+]1CCCCC1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029798209	0	45	0.0	-70.56	344.82	2.01	-68.55
C[N@H+]1CCCCC1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029798209	1	45	0.0	-69.05	345.27	2.06	-66.99
CC(C)C[N@@H+]1CCCC1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029798247	0	51	0.0	-70.06	388.11	4.22	-65.84
CC(C)C[N@H+]1CCCC1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029798247	1	51	0.0	-68.96	398.23	3.99	-64.97
O=C(C[NH+]1CCC(CO)CC1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029798270	1	49	0.0	-72.00	390.04	0.01	-71.99
C[NH+]1C2CCC1CC(=CC(=O)N1C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C1)C2	REAL300029798319	0	50	0.0	-73.58	387.18	3.89	-69.69
CC1C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)CC[N@@H+]1C	REAL300029798341	0	45	0.0	-68.80	352.59	2.03	-66.77
CC1C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)CC[N@H+]1C	REAL300029798341	1	45	0.0	-71.79	353.14	1.96	-69.83
C[N@@H+]1CCCCC1CCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029798345	0	51	0.0	-74.60	390.20	3.61	-70.99
C[N@H+]1CCCCC1CCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029798345	1	51	0.0	-73.41	390.03	3.66	-69.75
NC1=[NH+]C2=C(C=C1C(=O)N1C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C1)CCC2	REAL300029798392	1	45	0.0	-66.24	369.11	1.65	-64.59
CC(C)(C)[N@@H+]1CCC1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029798490	0	48	0.0	-68.51	356.29	2.02	-66.49
CC(C)(C)[N@H+]1CCC1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029798490	1	48	0.0	-66.08	378.24	2.55	-63.53
O=C(N[C@@H]1CN(C(=O)C2CCN(C3=CC=[NH+]C=C3)C2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029798512	0	48	0.0	-74.68	390.67	1.47	-73.21
C[C@@H](C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)[NH+](C)C	REAL300029798518	0	41	0.0	-69.07	331.76	1.21	-67.86
C[NH+](C)CC1=CC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)=CC=N1	REAL300029798541	1	47	0.0	-84.18	384.90	2.07	-82.11
C=CCC(C)(C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)[NH+](C)C	REAL300029798547	0	48	0.0	-65.87	361.94	2.54	-63.33
CC[NH+](CC)CCSCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029798586	0	51	0.0	-76.34	415.70	4.05	-72.29
NC1=C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C=[NH+]C2=CC=CC=C21	REAL300029798587	1	44	0.0	-71.35	366.88	1.05	-70.30
O=C(CC[NH+]1CCCC1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029798592	0	45	0.0	-73.44	366.08	2.76	-70.68
C[N@H+](CCO)CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029798602	1	42	0.0	-72.57	344.64	-1.60	-74.17
C[N@@H+](CCO)CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029798602	1	42	0.0	-72.70	344.48	-1.58	-74.28
O=C(N[C@@H]1CN(C(=O)C2C[N@@H+]3CCN2CCC3)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029798653	0	48	0.0	-74.67	359.42	-0.12	-74.79
O=C(N[C@@H]1CN(C(=O)C2C[N@H+]3CCN2CCC3)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029798653	1	48	0.0	-77.07	364.28	0.23	-76.84
CC(C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)[NH+]1CCSCC1	REAL300029798701	1	46	0.0	-72.81	373.43	2.87	-69.94
C[N@H+]1CC=C(CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)CC1	REAL300029798762	0	46	0.0	-71.29	375.22	3.27	-68.02
C[N@@H+]1CC=C(CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)CC1	REAL300029798762	1	46	0.0	-69.92	375.23	3.27	-66.65
C[NH+]1CC(N2CC(C(=O)N3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H](F)C3)CC2=O)C1	REAL300029798776	1	50	0.0	-72.68	400.73	1.38	-71.30
C[S+](C)CCC(O)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029798784	0	44	0.0	-77.34	377.24	0.55	-76.79
C[N@@H+]1CC(O)CC1(C)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029798818	0	46	0.0	-77.61	354.19	-1.42	-79.03
C[N@H+]1CC(O)CC1(C)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029798818	1	46	0.0	-68.37	358.47	-1.49	-69.86
CN1CC[N@H+](C)CC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029798837	0	50	0.0	-73.23	390.55	0.95	-72.28
CN1CC[N@@H+](C)CC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029798837	1	50	0.0	-70.12	382.45	0.91	-69.21
CC(C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)[N@@H+]1CCCC(O)C1	REAL300029798838	0	49	0.0	-70.58	383.65	-0.03	-70.61
CC(C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)[N@H+]1CCCC(O)C1	REAL300029798838	1	49	0.0	-71.14	385.93	-0.16	-71.30
NC1=[NH+]C=C2CCCC2=C1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029798876	0	45	0.0	-67.49	377.57	1.81	-65.68
C[N@@H+]1CCCC(O)(CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029798886	0	49	0.0	-71.76	383.95	1.47	-70.29
C[N@H+]1CCCC(O)(CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029798886	1	49	0.0	-69.23	386.05	1.29	-67.94
CC1C[NH+](CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029798893	1	42	0.0	-72.30	347.17	1.95	-70.35
CC[N@@H+]1CCCC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029798902	0	48	0.0	-67.51	368.31	2.97	-64.54
CC[N@H+]1CCCC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029798902	1	48	0.0	-67.48	378.29	2.99	-64.49
NC1=[NH+]C=CC=C1CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029798919	0	41	0.0	-68.29	351.93	0.83	-67.46
O=C(N[C@@H]1CN(C(=O)C2CCC[N@@H+]2C2CC2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029798935	0	46	0.0	-70.54	367.37	3.08	-67.46
O=C(N[C@@H]1CN(C(=O)C2CCC[N@H+]2C2CC2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029798935	1	46	0.0	-69.74	365.41	2.92	-66.82
CC1C[N@@H+](C2CCC2C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)CCO1	REAL300029798972	0	53	0.0	-72.33	421.32	2.86	-69.47
CC1C[N@H+](C2CCC2C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)CCO1	REAL300029798972	1	53	0.0	-72.43	420.15	2.71	-69.72
O=C(N[C@@H]1CN(C(=O)C2=CC=C(C[NH+]3CCCC3)O2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029798995	0	49	0.0	-81.45	403.30	3.80	-77.65
O=C(C=CC[NH+]1CCCC1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029799002	0	46	0.0	-78.72	378.36	3.26	-75.46
O=C(N[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029799037	0	49	0.0	-73.57	386.17	3.73	-69.84
CC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029799100	0	41	0.0	-71.87	334.28	1.63	-70.24
O=C(CN1CC2C=CC1C2)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029799185	0	44	0.0	-68.94	355.34	2.78	-66.16
O=C(C[N@@H+]1CC2C=CC1C2)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029799185	1	44	0.0	-67.96	355.31	2.76	-65.20
O=C(C[N@H+]1CC2C=CC1C2)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029799185	1	44	0.0	-67.96	355.31	2.76	-65.20
CC1=CC=C(NCCC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)N=C1	REAL300029799212	0	47	0.0	-68.27	396.62	2.43	-65.84
CC1=CC=C(NCCC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)[NH+]=C1	REAL300029799212	1	47	0.0	-68.27	396.62	2.43	-65.84
O=C(N[C@@H]1CN(C(=O)C2(C[NH+]3CCCC3)CCCC2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029799272	0	55	0.0	-76.19	406.53	4.29	-71.90
O=C(N[C@@H]1CN(C(=O)C23CCC[N@@H+]2CCCC3)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029799375	0	49	0.0	-65.67	363.69	2.64	-63.03
O=C(N[C@@H]1CN(C(=O)C23CCC[N@H+]2CCCC3)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029799375	1	49	0.0	-65.67	363.69	2.64	-63.03
O=C(N[C@@H]1CN(C(=O)C23CCC[N@@H+]2CC=CC3)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029799387	0	47	0.0	-66.49	358.26	2.73	-63.76
O=C(N[C@@H]1CN(C(=O)C23CCC[N@H+]2CC=CC3)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029799387	1	47	0.0	-66.49	358.26	2.73	-63.76
CC(OCC[NH+](C)C)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029799403	0	48	0.0	-70.31	386.85	2.40	-67.91
C[NH+](C)CCOCCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029799417	0	48	0.0	-71.90	394.51	1.82	-70.08
COCCN(C)CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029799419	0	45	0.0	-72.61	366.73	0.79	-71.82
COCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029799419	1	45	0.0	-70.26	366.64	0.69	-69.57
COCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029799419	1	45	0.0	-70.26	366.64	0.69	-69.57
CC(CCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)[NH+](C)C	REAL300029799428	0	47	0.0	-74.76	369.65	2.61	-72.15
CC[N@H+](CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)C1CC1	REAL300029799475	0	45	0.0	-69.33	363.30	3.01	-66.32
CC1C[N@@H+]2CCN1C(C(=O)N1C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C1)C2	REAL300029799496	0	48	0.0	-72.37	357.00	1.86	-70.51
C[N@@H+]1CC2CC1(C(=O)N1C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C1)C2	REAL300029799539	0	43	0.0	-66.93	338.49	2.10	-64.83
CC1=NC(N)=CC=C1C=CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029799553	0	45	0.0	-72.02	381.78	1.64	-70.38
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029799553	1	45	0.0	-72.02	381.78	1.64	-70.38
CC1=C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C=NN1CC[NH+](C)C	REAL300029799560	0	51	0.0	-81.18	412.33	2.60	-78.58
O=C(C[N@@H+]1CC2CCC1C2)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029799563	0	46	0.0	-68.87	360.23	2.82	-66.05
CC(C)[NH+]1CCC(CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)CC1	REAL300029799584	0	54	0.0	-70.28	409.95	4.27	-66.01
CC(C[NH+](C)C)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029799601	0	44	0.0	-73.38	350.62	1.94	-71.44
C[N@@H+]1CC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C(C(F)(F)F)C1	REAL300029799620	0	45	0.0	-83.93	366.62	3.10	-80.83
C[N@H+]1CC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C(C(F)(F)F)C1	REAL300029799620	1	45	0.0	-83.93	366.62	3.10	-80.83
CCN1CCC1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029799673	0	42	0.0	-69.65	337.40	1.59	-68.06
CC[N@@H+]1CCC1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029799673	1	42	0.0	-69.07	339.55	1.58	-67.49
CC[N@H+]1CCC1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029799673	1	42	0.0	-69.07	339.55	1.58	-67.49
CC(C)[N@@H+]1CCCC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029799694	0	51	0.0	-69.99	391.01	3.48	-66.51
CC(C)[N@H+]1CCCC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029799694	1	51	0.0	-69.99	391.01	3.48	-66.51
CN1C=CN=C1N1CCC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029799696	0	49	0.0	-68.16	395.02	3.45	-64.71
CN1C=C[NH+]=C1N1CCC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029799696	1	49	0.0	-68.16	395.02	3.45	-64.71
CCC(C)(C)[NH2+]C(C)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029799725	0	50	0.0	-67.56	379.29	1.42	-66.14
CNC1=NC(C)=CC=C1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029799794	0	44	0.0	-66.05	365.36	1.56	-64.49
CNC1=[NH+]C(C)=CC=C1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029799794	1	44	0.0	-66.05	365.36	1.56	-64.49
CCCC(C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)[NH+](C)C	REAL300029799813	0	47	0.0	-68.77	367.17	2.70	-66.07
C[NH+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029799823	0	44	0.0	-72.15	336.92	1.53	-70.62
CC(CC[NH+](C)C)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029799854	0	47	0.0	-73.92	376.70	2.57	-71.35
O=C(N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029799927	0	52	0.0	-72.47	382.54	3.47	-69.00
O=C(N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029799927	1	52	0.0	-66.02	386.91	4.14	-61.88
O=C(N[C@@H]1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029799968	0	47	0.0	-64.33	360.27	4.28	-60.05
O=C(N[C@@H]1CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029799968	1	47	0.0	-69.49	372.13	3.92	-65.57
COCCCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029800025	0	54	0.0	-78.53	433.39	2.81	-75.72
COCCCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029800025	1	54	0.0	-78.58	433.38	2.82	-75.76
C[NH+](C)C12CCC(C(=O)N3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H](F)C3)(CC1)CC2	REAL300029800031	0	55	0.0	-78.93	395.80	3.60	-75.33
C[N@@H+]1CC(C)(C)CC1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029800040	0	48	0.0	-67.71	379.07	2.95	-64.76
C[N@H+]1CC(C)(C)CC1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029800040	1	48	0.0	-69.42	377.88	3.00	-66.42
C[NH+](C)CCCCCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029800046	0	50	0.0	-73.53	404.54	3.96	-69.57
O=C(CC[NH+]1CCC(O)CC1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029800052	0	49	0.0	-77.14	392.77	0.11	-77.03
CCC[N@@H+]1CCCCC1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029800058	0	51	0.0	-66.07	395.12	3.79	-62.28
CCC[N@H+]1CCCCC1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029800058	1	51	0.0	-68.38	395.51	3.85	-64.53
CC[NH+]1CCN(CCC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)CC1	REAL300029800069	0	53	0.0	-73.72	415.11	1.67	-72.05
CCN1CC[NH+](CCC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)CC1	REAL300029800069	1	53	0.0	-74.83	416.29	1.69	-73.14
C[NH+]1CCN(CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)CC1	REAL300029800073	1	47	0.0	-72.14	376.70	0.51	-71.63
CC(C)C[NH+]1CCC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)CC1	REAL300029800231	0	54	0.0	-77.14	413.52	4.47	-72.67
CC1C[N@H+](C)CC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)O1	REAL300029800235	1	46	0.0	-82.46	363.52	1.53	-80.93
CC1C[N@@H+](C)CC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)O1	REAL300029800235	1	46	0.0	-79.68	365.35	2.14	-77.54
CCC1CCC[N@H+](CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029800281	0	51	0.0	-72.40	390.05	3.98	-68.42
CCC1CCC[N@@H+](CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029800281	1	51	0.0	-72.32	397.08	4.02	-68.30
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)N1	REAL300029800293	0	46	0.0	-82.05	378.98	2.27	-79.78
O=C(C[NH+]1CC2CC2C1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029800319	0	43	0.0	-72.35	353.42	2.90	-69.45
O=C(CC1([NH+]2CCCC2)CC1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029800344	0	49	0.0	-69.51	380.01	3.61	-65.90
CC([NH2+]C1(CO)CCCC1)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029800370	0	52	0.0	-69.93	386.66	-1.57	-71.50
C[N@@H+]1CCCCC1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029800411	0	45	0.0	-70.56	344.82	2.01	-68.55
C[N@H+]1CCCCC1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029800411	1	45	0.0	-69.05	345.27	2.06	-66.99
O=C(N[C@@H]1CN(C(=O)C2CC[N@@H+]2CC2=CC=CC=C2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029800420	1	49	0.0	-70.19	400.94	4.60	-65.59
O=C(N[C@@H]1CN(C(=O)C2CC[N@H+]2CC2=CC=CC=C2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029800420	1	49	0.0	-71.86	396.51	4.36	-67.50
CC(C)C[N@@H+]1CCCC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029800427	0	54	0.0	-68.60	410.11	4.73	-63.87
CC(C)C[N@H+]1CCCC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029800427	1	54	0.0	-67.72	417.22	4.41	-63.31
C[NH+](C)C1CCN(CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)CC1	REAL300029800513	0	53	0.0	-72.70	409.51	1.61	-71.09
C[N@@H+]1CCC(=CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029800608	0	43	0.0	-79.10	353.94	2.42	-76.68
C[N@H+]1CCC(=CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029800608	1	43	0.0	-75.49	354.71	2.54	-72.95
O=C(CNC1=CC=[NH+]C=C1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029800616	0	41	0.0	-71.29	351.80	0.18	-71.11
CC[NH+]1CCN(CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)CC1	REAL300029800694	0	50	0.0	-70.45	392.84	1.07	-69.38
O=C(C=C1C[NH+]2CCC1CC2)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029800699	0	47	0.0	-69.50	371.42	3.30	-66.20
C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)CCCC1	REAL300029800760	0	48	0.0	-71.51	356.30	2.50	-69.01
C[N@H+](CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)[C@@H]1CCC[C@H]1O	REAL300029800777	0	49	0.0	-67.33	386.98	0.37	-66.96
C[N@@H+](CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)[C@@H]1CCC[C@H]1O	REAL300029800777	1	49	0.0	-70.72	387.49	0.19	-70.53
CCC1C[NH+](CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029800785	1	45	0.0	-73.43	370.18	2.81	-70.62
O=C(N[C@@H]1CN(C(=O)C2C[NH+](C3CCOCC3)C2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029800789	0	50	0.0	-76.92	399.39	1.80	-75.12
O=C(N[C@@H]1CN(C(=O)C2([NH+]3CCCC3)CCC2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029800792	0	49	0.0	-69.16	371.65	3.27	-65.89
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029800810	0	42	0.0	-67.80	337.23	1.66	-66.14
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029800810	1	42	0.0	-69.52	334.99	1.48	-68.04
CC[N@@H+]1CCOCC1CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029800855	0	49	0.0	-73.93	384.41	1.32	-72.61
CC[N@H+]1CCOCC1CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029800855	1	49	0.0	-76.04	385.44	1.52	-74.52
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)NC3=C2CCC[NH2+]3)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029800864	0	46	0.0	-89.07	385.55	0.45	-88.62
O=C(N[C@@H]1CN(C(=O)C2C[NH+](C3CCCCC3)C2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029800889	0	52	0.0	-76.50	407.69	4.47	-72.03
COC1C[N@@H+]2CCCC2(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029800911	0	50	0.0	-66.05	387.20	1.36	-64.69
COC1C[N@H+]2CCCC2(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029800911	1	50	0.0	-66.50	385.25	1.22	-65.28
NC1=CC=C(CCC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C=[NH+]1	REAL300029800926	0	44	0.0	-71.09	376.70	1.53	-69.56
O=C(CC1=CC2=C[NH+]=CN2C=C1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029800934	0	43	0.0	-71.30	370.90	5.19	-66.11
NC1=[NH+]C2=CC(C(=O)N3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H](F)C3)=CC=C2N1	REAL300029800995	1	42	0.0	-78.27	354.82	1.65	-76.62
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029801058	0	45	0.0	-74.12	365.60	2.68	-71.44
C[NH+](C)CCC1(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)CCCC1	REAL300029801074	0	54	0.0	-78.45	408.52	3.96	-74.49
CC1CCCC(C)[NH+]1CCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029801076	0	54	0.0	-69.38	410.53	4.13	-65.25
C[NH+](C)C1CCC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)CC1	REAL300029801079	0	51	0.0	-65.46	385.35	3.51	-61.95
C[NH+](C)CCC1(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)CC1	REAL300029801080	0	48	0.0	-75.26	389.64	3.42	-71.84
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)CC1	REAL300029801085	0	51	0.0	-66.79	384.41	3.39	-63.40
C[N@@H+]1CC=CCC1CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029801086	0	46	0.0	-72.21	367.37	2.92	-69.29
C[N@H+]1CC=CCC1CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029801086	1	46	0.0	-72.21	367.37	2.92	-69.29
CC1=CC(C=CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)=CN=C1N	REAL300029801166	0	45	0.0	-79.48	379.19	1.94	-77.54
CC1=CC(C=CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)=C[NH+]=C1N	REAL300029801166	1	45	0.0	-79.48	379.19	1.94	-77.54
C[NH+](C)CCOCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029801183	0	45	0.0	-73.04	373.43	2.11	-70.93
CCCCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029801191	0	53	0.0	-75.67	421.21	4.53	-71.14
CCCCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029801191	1	53	0.0	-75.67	421.21	4.53	-71.14
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)O1	REAL300029801208	0	49	0.0	-72.90	393.06	2.77	-70.13
[NH2+]=C1SC=CN1CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029801245	0	38	0.0	-68.13	344.82	1.18	-66.95
C[C@@H](OCC[NH+](C)C)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029801367	0	48	0.0	-71.30	387.22	2.46	-68.84
C[NH+]1CCC(O)(C2(C(=O)N3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H](F)C3)CC2)CC1	REAL300029801372	0	53	0.0	-66.61	405.78	1.10	-65.51
O=C(CC[NH+]1CCCCCC1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029801466	0	51	0.0	-75.18	390.49	3.63	-71.55
O=C(C[NH+]1CCCCC1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029801472	0	45	0.0	-71.86	359.41	2.87	-68.99
C[N@@H+]1CCCC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029801474	0	45	0.0	-66.45	350.55	2.49	-63.96
C[N@H+]1CCCC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029801474	1	45	0.0	-72.70	356.69	2.31	-70.39
O=C(C[NH+]1CCC(CO)CC1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029801476	1	49	0.0	-72.00	390.04	0.01	-71.99
O=C(C[NH+]1CCCCCC1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029801482	0	48	0.0	-72.38	367.63	3.18	-69.20
CN1C=C[N+](CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)=C1	REAL300029801489	0	40	0.0	-70.32	347.32	4.41	-65.91
C[N@@H+]1CCCC(C(C)(C)C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029801512	0	54	0.0	-72.72	390.04	3.13	-69.59
C[N@H+]1CCCC(C(C)(C)C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029801512	1	54	0.0	-74.44	398.08	3.56	-70.88
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)O1	REAL300029801518	1	45	0.0	-83.20	377.28	2.60	-80.60
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C=N1	REAL300029801528	0	47	0.0	-82.87	384.56	2.06	-80.81
O=C(C[NH+]1CCC(O)CC1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029801552	1	46	0.0	-76.92	370.51	-0.48	-77.40
C[N@@H+](CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)C1CC1	REAL300029801560	1	42	0.0	-67.74	345.67	2.26	-65.48
CC(C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)N1CC[NH+](C)CC1	REAL300029801562	1	50	0.0	-74.22	391.97	0.82	-73.40
O=C(CC[N@@H+]1CCC(F)C1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029801570	1	45	0.0	-78.73	372.09	2.81	-75.92
COC1C[N@@H+](C)C(C)(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029801589	1	49	0.0	-68.46	378.84	0.69	-67.77
C[NH+](C)CCC1=CC=CC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)=C1	REAL300029801612	0	51	0.0	-74.19	412.16	4.81	-69.38
CC(CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)C[NH+](C)C	REAL300029801619	0	47	0.0	-71.62	373.45	2.86	-68.76
O=C(N[C@@H]1CN(C(=O)C2CC[N@@H+]3CCOCC23)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029801646	0	47	0.0	-76.11	373.48	1.10	-75.01
O=C(N[C@@H]1CN(C(=O)C2CC[N@H+]3CCOCC23)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029801646	1	47	0.0	-74.49	373.11	1.05	-73.44
CC1=[NH+]C=C2C=CC(C(=O)N3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H](F)C3)=CN21	REAL300029801656	0	43	0.0	-72.66	372.88	4.05	-68.61
CN1CCOCC1CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029801682	0	46	0.0	-75.35	366.88	0.67	-74.68
C[N@@H+]1CCOCC1CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029801682	1	46	0.0	-78.06	366.95	0.79	-77.27
C[N@H+]1CCOCC1CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029801682	1	46	0.0	-75.35	366.88	0.67	-74.68
C[NH+](C)CC(C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)C1=CC=CC=C1	REAL300029801694	0	51	0.0	-69.99	410.36	4.72	-65.27
CC[NH+]1CCN(CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)CC1	REAL300029801700	0	50	0.0	-70.45	392.84	1.07	-69.38
CC1=CC(N)=[NH+]C=C1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029801783	1	41	0.0	-78.59	344.85	0.12	-78.47
NC1=CC=C(CCC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C=[NH+]1	REAL300029801786	0	44	0.0	-71.09	376.70	1.53	-69.56
O=C(N[C@@H]1CN(C(=O)C2(CC[NH+]3CCCCC3)CC2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029801819	0	55	0.0	-73.30	429.43	5.12	-68.18
CC1(O)CC[N@H+](CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029801861	0	46	0.0	-71.18	373.68	-0.58	-71.76
CC1(O)CC[N@@H+](CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029801861	1	46	0.0	-72.07	372.76	-0.63	-72.70
C[NH+](C)CCN1N=CC=C1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029801872	0	48	0.0	-65.63	390.26	2.12	-63.51
C[NH+]1CC(CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C1	REAL300029801915	0	42	0.0	-72.87	348.04	1.82	-71.05
O=C(N[C@@H]1CN(C(=O)C2CC[N@@H+]2C2CCCC2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029801921	0	49	0.0	-72.00	390.04	3.95	-68.05
O=C(N[C@@H]1CN(C(=O)C2CC[N@H+]2C2CCCC2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029801921	1	49	0.0	-70.49	381.70	3.40	-67.09
C[NH+](C)CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029801931	0	38	0.0	-72.69	316.56	0.98	-71.71
C[N@H+](CCO)CCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029801983	0	45	0.0	-74.01	367.06	-1.00	-75.01
C[N@@H+](CCO)CCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029801983	1	45	0.0	-73.10	367.05	-1.01	-74.11
C[C@@H](C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)[NH+](C)C	REAL300029801984	0	41	0.0	-69.07	331.76	1.21	-67.86
C[N@@H+]1CCCCC1CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029802012	0	48	0.0	-74.51	375.60	3.14	-71.37
C[N@H+]1CCCCC1CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029802012	1	48	0.0	-74.79	376.98	3.20	-71.59
CC1=C2C=C(C(=O)N3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H](F)C3)C=CN2C=[NH+]1	REAL300029802047	1	43	0.0	-76.70	373.40	4.87	-71.83
CC(C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)[NH+]1CC(C)C1	REAL300029802048	1	45	0.0	-69.39	360.62	2.30	-67.09
CC1CC[N@@H+]1CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029802054	1	42	0.0	-69.92	342.29	1.80	-68.12
CC1CC[N@H+]1CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029802054	1	42	0.0	-67.89	342.04	1.66	-66.23
C[NH+](C)CC=CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029802075	0	42	0.0	-79.89	350.96	2.08	-77.81
O=C(CCCC[NH+]1CCCCC1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029802108	0	54	0.0	-73.30	424.68	5.05	-68.25
CC1=C(C)[NH+]=C(CCC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)N1	REAL300029802126	1	46	0.0	-65.62	386.48	2.16	-63.46
C[N@@H+]1CCC2=C(C1)SC(C(=O)N1C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C1)=C2	REAL300029802127	1	46	0.0	-84.24	385.11	3.63	-80.61
C[N@H+]1CCC2=C(C1)SC(C(=O)N1C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C1)=C2	REAL300029802127	1	46	0.0	-73.08	385.79	3.76	-69.32
C[NH+]1CCC(C2(C(=O)N3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H](F)C3)CC2)CC1	REAL300029802141	0	52	0.0	-76.63	400.38	3.97	-72.66
CC1=C2C=C(C(=O)N3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H](F)C3)C=CN2C=[NH+]1	REAL300029802152	1	43	0.0	-76.70	373.40	4.87	-71.83
C[NH+](C)CCSCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029802168	0	45	0.0	-78.20	384.45	2.97	-75.23
CC(C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)[N@H+](C)CC1=CC=CC=C1	REAL300029802190	0	51	0.0	-73.03	409.67	4.87	-68.16
CC(C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300029802190	1	51	0.0	-71.29	410.02	4.95	-66.34
NC1=[NH+]C2=C(C=C1C(=O)N1C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C1)CCCC2	REAL300029802194	1	48	0.0	-64.46	386.68	2.25	-62.21
O=C(C[N@H+]1CCCC1CO)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029802203	0	46	0.0	-67.99	362.32	-0.48	-68.47
O=C(C[N@@H+]1CCCC1CO)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029802203	1	46	0.0	-70.69	369.29	-0.47	-71.16
CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029802206	0	44	0.0	-70.43	349.27	2.09	-68.34
C[N@H+](CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)C1CCSC1	REAL300029802223	0	46	0.0	-75.76	375.61	3.10	-72.66
C[N@@H+](CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)C1CCSC1	REAL300029802223	1	46	0.0	-75.14	377.19	3.04	-72.10
CC[NH+](CC)CCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029802293	0	47	0.0	-73.02	375.63	2.95	-70.07
NC(=O)C1CC[NH+](CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)CC1	REAL300029802319	1	49	0.0	-82.27	395.33	-0.45	-82.72
C[NH+](C)CC1=CNC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)=C1	REAL300029802383	0	46	0.0	-71.80	378.49	2.44	-69.36
CC(C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)[NH+]1CCC(O)CC1	REAL300029802409	1	49	0.0	-72.02	378.14	-0.43	-72.45
O=C(N[C@@H]1CN(C(=O)C2CC3COCC[N@@H+]3C2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029802418	0	47	0.0	-73.73	370.90	1.11	-72.62
O=C(N[C@@H]1CN(C(=O)C2CC3COCC[N@H+]3C2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029802418	1	47	0.0	-73.79	372.43	1.09	-72.70
CC(C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)[NH+]1CCC1	REAL300029802440	1	42	0.0	-69.12	340.32	1.74	-67.38
CCC(CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)C[NH+](C)C	REAL300029802454	0	50	0.0	-73.49	387.12	3.42	-70.07
NC1=CC=C(C=CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C=[NH+]1	REAL300029802463	0	42	0.0	-74.42	364.25	1.20	-73.22
C[NH+](C)CC(C)(C)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029802464	0	47	0.0	-69.79	355.69	1.99	-67.80
C[NH+](C)C(CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)C1=CC=CC=C1	REAL300029802511	0	51	0.0	-71.51	403.33	4.75	-66.76
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029802554	0	45	0.0	-71.86	348.79	2.08	-69.78
C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029802554	1	45	0.0	-68.50	357.23	2.50	-66.00
CC1CN2CC[N@@H+]1CC2C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029802572	0	48	0.0	-72.54	365.44	-0.39	-72.93
CC1CN2CC[N@H+]1CC2C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029802572	1	48	0.0	-76.57	366.19	-0.40	-76.97
C[NH+](C)CC(O)CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029802608	0	45	0.0	-75.23	368.97	-0.12	-75.35
C[NH+]1C2CCC1CC(C(=O)N1C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C1)C2	REAL300029802611	0	49	0.0	-65.84	351.70	2.88	-62.96
C#CC1(O)CC[NH+](C(C)C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)CC1	REAL300029802653	1	51	0.0	-74.52	399.99	0.47	-74.05
C=CCC(C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)[NH+](C)C	REAL300029802668	0	45	0.0	-66.48	358.46	2.56	-63.92
O=C(N[C@@H]1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029802684	0	49	0.0	-70.55	380.20	3.46	-67.09
O=C(N[C@@H]1CN(C(=O)C2CC3CCCC[N@H+]3C2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029802684	1	49	0.0	-68.47	379.57	3.41	-65.06
C[NH+]1CCC(C)(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)CC1	REAL300029802702	0	48	0.0	-70.76	364.63	2.49	-68.27
C[NH+]1CCC(O)(CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)CC1	REAL300029802708	0	49	0.0	-71.53	383.72	1.34	-70.19
COCC[N@@H+]1CCCC1CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029802727	0	52	0.0	-70.60	411.58	2.52	-68.08
COCC[N@H+]1CCCC1CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029802727	1	52	0.0	-72.93	407.99	2.03	-70.90
C[NH+]1C2CCC1CC(CC(=O)N1C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C1)C2	REAL300029802743	0	52	0.0	-67.13	381.98	3.32	-63.81
C[NH+](C)CCN1N=CC=C1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029802788	0	48	0.0	-66.46	394.05	2.24	-64.22
C[N@@H+]1CCC2=C(C1)SC(C(=O)N[C@@H]1CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]1F)=C2	REAL300029802830	1	46	0.0	-74.63	387.76	3.92	-70.71
C[N@H+]1CCC2=C(C1)SC(C(=O)N[C@@H]1CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]1F)=C2	REAL300029802830	1	46	0.0	-77.53	386.10	3.96	-73.57
C[NH+]1CCC(C2(C(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3F)CC2)CC1	REAL300029802842	0	52	0.0	-65.24	402.71	4.59	-60.65
CC1=C2C=C(C(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3F)C=CN2C=[NH+]1	REAL300029802855	1	43	0.0	-67.31	367.01	4.94	-62.37
C[NH+](C)CCSCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029802870	0	45	0.0	-76.84	380.70	2.69	-74.15
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CC2COCC[N@@H+]2C1	REAL300029802882	0	47	0.0	-73.53	372.75	1.06	-72.47
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1CC2COCC[N@H+]2C1	REAL300029802882	1	47	0.0	-70.51	371.39	1.14	-69.37
C[N@@H+]1CCCC1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803048	0	50	0.0	-71.61	375.17	0.97	-70.64
C[N@H+]1CCCC1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803048	1	50	0.0	-72.59	374.89	1.04	-71.55
C[N@@H+]1CCOC(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029803072	1	51	0.0	-84.59	379.66	0.27	-84.32
C[N@H+]1CCOC(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029803072	1	51	0.0	-90.50	386.87	0.47	-90.03
CC1=[NH+]C=CN1CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803212	1	48	0.0	-71.97	382.94	1.83	-70.14
C[C@@H]1[C@H](C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)CN3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029803235	0	53	0.0	-74.56	384.83	1.53	-73.03
C[C@@H]1[C@H](C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)CN3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029803235	1	53	0.0	-73.72	392.47	1.72	-72.00
C[NH+](C)C1(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)CN3C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029803259	0	53	0.0	-73.08	376.80	1.09	-71.99
CC(C)[C@@H](C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029803261	0	55	0.0	-71.97	397.05	1.97	-70.00
C[N@H+](CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029803273	0	53	0.0	-74.09	399.57	2.18	-71.91
C[N@@H+](CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029803273	1	53	0.0	-73.46	399.45	2.17	-71.29
C[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029803303	0	53	0.0	-77.14	396.75	1.74	-75.40
C[N@@H+]1CCCCC1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803314	0	53	0.0	-69.51	394.86	1.80	-67.71
C[N@H+]1CCCCC1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803314	1	53	0.0	-72.93	394.09	1.82	-71.11
CC1=C[NH+]=CN1CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803336	1	48	0.0	-73.00	383.30	2.57	-70.43
C[N@@H+]1CCC(CC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029803346	0	53	0.0	-77.01	400.17	1.80	-75.21
C[N@H+]1CCC(CC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029803346	1	53	0.0	-77.46	399.32	1.86	-75.60
CCC(C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029803349	0	52	0.0	-72.87	385.27	1.33	-71.54
C[NH+](C)CCCCC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803366	0	55	0.0	-76.72	418.81	2.40	-74.32
CC(C)C(C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029803371	0	55	0.0	-71.05	396.13	1.77	-69.28
CCC[N@H+](C)CCC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803372	0	55	0.0	-77.71	415.02	2.21	-75.50
CCC[N@@H+](C)CCC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803372	1	55	0.0	-77.85	415.01	2.24	-75.61
CCC[N@H+](C)CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803373	0	52	0.0	-75.95	392.96	1.66	-74.29
CCC[N@@H+](C)CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803373	1	52	0.0	-76.04	392.58	1.60	-74.44
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803390	0	50	0.0	-75.02	371.84	0.76	-74.26
C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803390	1	50	0.0	-72.45	379.32	1.13	-71.32
CC[NH+](CC)CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803404	0	52	0.0	-73.85	389.50	1.57	-72.28
C[NH+](C)CC1(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029803459	0	53	0.0	-70.12	401.31	1.79	-68.33
C[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029803485	0	53	0.0	-77.14	396.75	1.74	-75.40
CC(C)[C@H](C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029803500	0	55	0.0	-76.13	398.12	1.58	-74.55
CC[N@H+](C)CCC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803535	0	52	0.0	-76.98	393.51	1.47	-75.51
CC[N@@H+](C)CCC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803535	1	52	0.0	-77.04	393.55	1.50	-75.54
CC1CCC[N@@H+]1CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803547	0	53	0.0	-72.44	392.04	1.58	-70.86
CC1CCC[N@H+]1CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803547	1	53	0.0	-73.06	398.67	1.95	-71.11
CC1CC[N@H+](CC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029803548	0	53	0.0	-75.41	398.60	1.91	-73.50
CC1CC[N@@H+](CC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029803548	1	53	0.0	-75.31	398.66	1.87	-73.44
CC[C@@H](C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029803551	0	52	0.0	-72.54	382.47	1.28	-71.26
C[NH+](C)CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803590	0	46	0.0	-76.47	353.42	0.21	-76.26
CN1C=C[N+](CC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)CN3C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029803591	0	48	0.0	-73.71	384.60	3.70	-70.01
C[N@@H+]1CCCC(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029803594	0	53	0.0	-76.66	396.82	1.73	-74.93
C[N@H+]1CCCC(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029803594	1	53	0.0	-74.74	394.91	1.59	-73.15
CC(C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300029803603	1	50	0.0	-74.82	378.85	0.99	-73.83
C[NH+](C)CC(C)(C)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803606	0	55	0.0	-75.49	392.63	1.29	-74.20
C[N@H+](CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029803613	0	50	0.0	-72.85	383.01	1.65	-71.20
C[N@@H+](CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029803613	1	50	0.0	-73.45	382.87	1.62	-71.83
C[NH+]1CC(CC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029803624	0	50	0.0	-75.27	384.70	1.09	-74.18
C[C@@H](C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029803637	0	49	0.0	-71.99	368.93	0.56	-71.43
C[N@H+](CCO)CCC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803677	0	53	0.0	-77.23	403.86	-1.73	-78.96
C[N@@H+](CCO)CCC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803677	1	53	0.0	-76.10	403.87	-1.77	-77.87
C[C@@H](C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029803678	0	49	0.0	-71.99	368.93	0.56	-71.43
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803681	0	53	0.0	-76.29	385.74	1.51	-74.78
C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803681	1	53	0.0	-72.89	394.63	1.83	-71.06
O=C(C[NH+]1CCC1)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803709	1	47	0.0	-75.82	363.63	0.65	-75.17
C[N@@H+]1CCC(=CC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029803719	0	51	0.0	-80.59	391.70	1.80	-78.79
C[N@H+]1CCC(=CC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029803719	1	51	0.0	-80.29	390.32	1.82	-78.47
C[NH+](C)CCOCC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803729	0	53	0.0	-75.29	409.24	1.36	-73.93
C[C@H](C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029803740	0	49	0.0	-74.05	367.34	0.50	-73.55
CC1C[NH+](CC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029803757	1	50	0.0	-75.88	384.63	1.30	-74.58
C[N@H+](CCO)CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803770	1	50	0.0	-76.07	381.45	-2.39	-78.46
C[N@@H+](CCO)CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803770	1	50	0.0	-76.38	381.69	-2.34	-78.72
CC(CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029803782	0	55	0.0	-76.07	410.65	2.28	-73.79
CC[N@H+](C)CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803784	0	49	0.0	-75.78	371.09	0.87	-74.91
CC[N@@H+](C)CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803784	1	49	0.0	-75.29	371.26	0.90	-74.39
CC[N@H+](CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029803794	0	53	0.0	-72.33	396.24	2.06	-70.27
CC[N@@H+](CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029803794	1	53	0.0	-71.66	403.17	2.30	-69.36
CC[NH+](CC)CCC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803800	0	55	0.0	-75.65	410.75	2.17	-73.48
CC1(C)C[NH+](CC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029803808	1	53	0.0	-75.96	403.96	1.82	-74.14
C[NH+](C)CC=CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803816	0	50	0.0	-81.03	389.88	1.49	-79.54
COCC[N@H+](C)CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803825	1	53	0.0	-76.36	403.94	0.06	-76.30
COCC[N@@H+](C)CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803825	1	53	0.0	-75.79	403.87	0.06	-75.73
CC(CCC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029803837	0	55	0.0	-79.26	407.07	2.04	-77.22
CC[N@@H+]1CCC1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803842	1	50	0.0	-73.23	377.19	0.90	-72.33
CC[N@H+]1CCC1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803842	1	50	0.0	-74.45	384.50	1.17	-73.28
C=CCC(C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029803867	0	53	0.0	-70.77	393.39	1.58	-69.19
O=C(C[NH+]1CC2CC2C1)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803875	0	51	0.0	-76.09	388.95	2.09	-74.00
CCCC(C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029803884	0	55	0.0	-71.74	402.85	1.91	-69.83
C[NH+](C)C(C)(C)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803886	0	52	0.0	-76.58	372.88	0.63	-75.95
C[N@@H+]1CCCCC1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803897	0	53	0.0	-69.51	394.86	1.80	-67.71
C[N@H+]1CCCCC1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803897	1	53	0.0	-72.93	394.09	1.82	-71.11
C[NH+](C)C1(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)CN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029803936	0	50	0.0	-78.21	376.43	0.77	-77.44
O=C(CC[NH+]1CCCC1)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803937	0	53	0.0	-76.39	401.78	2.00	-74.39
C[N@@H+]1CC2CC1(C(=O)N1CC[C@H]3[C@@H](C1)NC(=O)CN3C(=O)C1=CC(=O)[N-]O1)C2	REAL300029803948	0	51	0.0	-76.92	380.22	1.24	-75.68
C[N@H+]1CC2CC1(C(=O)N1CC[C@H]3[C@@H](C1)NC(=O)CN3C(=O)C1=CC(=O)[N-]O1)C2	REAL300029803948	1	51	0.0	-71.98	379.93	1.21	-70.77
CC(C[NH+](C)C)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803984	0	52	0.0	-77.09	389.57	1.30	-75.79
CC(C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300029804007	0	53	0.0	-72.11	399.61	1.67	-70.44
CC1CC[N@@H+]1CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029804008	1	50	0.0	-75.08	384.68	1.27	-73.81
CC1CC[N@H+]1CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029804008	1	50	0.0	-73.99	384.74	1.32	-72.67
C[NH+](C)CC(O)CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029804010	0	53	0.0	-79.40	406.56	-0.72	-80.12
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029804042	0	53	0.0	-73.63	402.48	1.94	-71.69
CC(CC[NH+](C)C)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029804044	0	55	0.0	-76.72	414.18	2.03	-74.69
NC(=[NH2+])SCC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029804066	0	44	0.0	-77.24	361.66	-2.72	-79.96
CCC1C[NH+](CC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)CN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029804130	0	53	0.0	-76.50	406.03	2.08	-74.42
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029804134	0	50	0.0	-71.62	375.17	0.96	-70.66
C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029804134	1	50	0.0	-72.01	371.94	0.74	-71.27
O=C(C[NH+]1CCCCC1)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029804141	0	53	0.0	-75.17	395.25	2.10	-73.07
CC1C(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)CN3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029804145	0	53	0.0	-76.78	388.69	1.31	-75.47
CC1C(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)CN3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029804145	1	53	0.0	-72.70	393.49	1.45	-71.25
C[N@@H+]1CCCC1C(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029804325	0	50	0.0	-75.42	372.03	0.70	-74.72
C[N@H+]1CCCC1C(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029804325	1	50	0.0	-74.71	374.53	0.88	-73.83
C[N@@H+]1CCOC(C(=O)N2CC(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300029804351	1	51	0.0	-80.94	387.19	0.51	-80.43
C[N@H+]1CCOC(C(=O)N2CC(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300029804351	1	51	0.0	-84.92	386.29	0.49	-84.43
C[N@@H+]1CCC(CC(=O)N2CC(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300029804500	0	53	0.0	-79.66	399.43	1.74	-77.92
C[N@H+]1CCC(CC(=O)N2CC(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300029804500	1	53	0.0	-78.88	400.14	1.80	-77.08
CCC(C(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[NH+](C)C	REAL300029804503	0	52	0.0	-77.63	382.80	1.11	-76.52
C[NH+](C)CCCCC(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029804516	0	55	0.0	-78.31	418.77	2.25	-76.06
CCC[N@H+](C)CCC(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029804522	0	55	0.0	-80.20	415.05	2.06	-78.14
CCC[N@@H+](C)CCC(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029804522	1	55	0.0	-80.03	414.94	2.08	-77.95
CCC[N@H+](C)CC(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029804523	0	52	0.0	-79.56	392.23	1.48	-78.08
CCC[N@@H+](C)CC(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029804523	1	52	0.0	-79.67	392.23	1.48	-78.19
C[NH+](C)CC1(C(=O)N2CC(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC1	REAL300029804555	0	53	0.0	-79.38	400.74	1.72	-77.66
CC[N@H+](C)CCC(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029804561	0	52	0.0	-79.45	393.47	1.31	-78.14
CC[N@@H+](C)CCC(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029804561	1	52	0.0	-79.26	393.55	1.33	-77.93
C[NH+]1CCC(C(=O)N2CC(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC1	REAL300029804581	0	53	0.0	-93.45	394.75	1.52	-91.93
CC1CCC[N@@H+]1CC(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029804629	0	53	0.0	-75.87	392.18	1.44	-74.43
CC1CCC[N@H+]1CC(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029804629	1	53	0.0	-76.04	399.37	1.71	-74.33
CC1CC[N@H+](CC(=O)N2CC(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300029804647	0	53	0.0	-78.62	398.53	1.81	-76.81
CC1CC[N@@H+](CC(=O)N2CC(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300029804647	1	53	0.0	-78.44	398.66	1.75	-76.69
CC[C@@H](C(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[NH+](C)C	REAL300029804649	0	52	0.0	-76.77	383.47	1.17	-75.60
CC1=[NH+]C=CN1CC(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029804686	1	48	0.0	-74.29	382.75	1.69	-72.60
CC1=C[NH+]=CN1CC(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029804707	1	48	0.0	-77.88	383.52	2.53	-75.35
C[C@@H]1[C@H](C(=O)N2CC(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC[N@@H+]1C	REAL300029804708	0	53	0.0	-79.72	389.59	1.36	-78.36
C[C@@H]1[C@H](C(=O)N2CC(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC[N@H+]1C	REAL300029804708	1	53	0.0	-79.97	395.71	1.56	-78.41
C[N@H+](CC(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)C1CCC1	REAL300029804736	0	53	0.0	-77.04	399.76	2.08	-74.96
C[N@@H+](CC(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)C1CCC1	REAL300029804736	1	53	0.0	-77.60	399.98	2.17	-75.43
C[NH+]1CCC(C(=O)N2CC(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC1	REAL300029804745	0	53	0.0	-93.45	394.75	1.52	-91.93
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029804756	0	50	0.0	-75.71	372.61	0.58	-75.13
C[N@H+]1CCC[C@@H]1C(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029804756	1	50	0.0	-74.76	374.90	0.98	-73.78
CC1C(C(=O)N2CC(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC[N@@H+]1C	REAL300029804820	0	53	0.0	-76.14	394.73	1.71	-74.43
CC1C(C(=O)N2CC(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC[N@H+]1C	REAL300029804820	1	53	0.0	-77.51	395.03	1.38	-76.13
C[C@@H](C(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[NH+](C)C	REAL300029804855	0	49	0.0	-77.82	368.50	0.41	-77.41
O=C(CC[NH+]1CCCC1)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029804874	0	53	0.0	-79.00	400.71	1.78	-77.22
C[N@H+](CCO)CC(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029804879	1	50	0.0	-80.09	381.08	-2.50	-82.59
C[N@@H+](CCO)CC(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029804879	1	50	0.0	-78.75	381.08	-2.49	-81.24
CC[N@H+](C)CC(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029804954	0	49	0.0	-79.15	370.73	0.73	-78.42
CC[N@@H+](C)CC(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029804954	1	49	0.0	-79.16	370.73	0.74	-78.42
COCC[N@H+](C)CC(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029804999	1	53	0.0	-78.51	403.16	-0.12	-78.63
COCC[N@@H+](C)CC(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029804999	1	53	0.0	-80.35	403.34	-0.10	-80.45
CC(CCC(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[NH+](C)C	REAL300029805001	0	55	0.0	-77.06	410.12	1.83	-75.23
CC[N@H+](CC(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)C1CC1	REAL300029805005	0	53	0.0	-75.28	402.73	2.21	-73.07
CC[N@@H+](CC(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)C1CC1	REAL300029805005	1	53	0.0	-77.56	395.25	2.07	-75.49
CC(C[NH+](C)C)C(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029805024	0	52	0.0	-78.29	387.28	1.06	-77.23
C[C@H](C(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[NH+](C)C	REAL300029805037	0	49	0.0	-75.92	368.99	0.41	-75.51
NC1=CC=[NH+]C=C1C(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029805059	0	46	0.0	-77.57	362.71	-1.97	-79.54
CCCC(C(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[NH+](C)C	REAL300029805064	0	55	0.0	-76.18	405.85	1.91	-74.27
CC(CC[NH+](C)C)C(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029805076	0	55	0.0	-77.93	408.96	1.67	-76.26
O=C(C[NH+]1CC2CC2C1)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029805140	1	51	0.0	-79.17	388.93	1.94	-77.23
C[N@@H+]1CCCCC1C(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029805149	1	53	0.0	-75.73	382.24	1.16	-74.57
C[N@H+]1CCCCC1C(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029805149	1	53	0.0	-73.48	394.37	1.79	-71.69
C[N@@H+]1CCC(=CC(=O)N2CC(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300029805171	0	51	0.0	-80.50	391.41	1.73	-78.77
C[N@H+]1CCC(=CC(=O)N2CC(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300029805171	1	51	0.0	-80.76	390.12	1.69	-79.07
C[N@@H+]1CCC[C@H]1C(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029805193	0	50	0.0	-75.98	378.20	1.04	-74.94
C[N@H+]1CCC[C@H]1C(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029805193	1	50	0.0	-78.22	372.37	0.71	-77.51
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300029805236	0	53	0.0	-76.01	402.50	1.89	-74.12
C[NH+](C)CCOCC(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029805255	0	53	0.0	-76.19	409.40	1.26	-74.93
O=C(C[NH+]1CCCCC1)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029805284	1	53	0.0	-78.66	395.45	2.06	-76.60
C[N@@H+]1CCCC(C(=O)N2CC(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300029805285	0	53	0.0	-81.02	388.60	1.61	-79.41
C[N@H+]1CCCC(C(=O)N2CC(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300029805285	1	53	0.0	-88.20	394.64	1.50	-86.70
CN1C=C[N+](CC(=O)N2CC(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)=C1	REAL300029805286	0	48	0.0	-76.50	384.58	3.57	-72.93
C[N@H+](CC(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)C1CC1	REAL300029805295	1	50	0.0	-76.34	382.57	1.46	-74.88
C[N@@H+](CC(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)C1CC1	REAL300029805295	1	50	0.0	-77.23	382.73	1.47	-75.76
CC(CC(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)C[NH+](C)C	REAL300029805303	0	55	0.0	-78.51	410.57	2.11	-76.40
C[NH+]1CC(CC(=O)N2CC(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300029805348	0	50	0.0	-79.60	384.63	0.93	-78.67
C[NH+](C)CC(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029805355	1	46	0.0	-79.93	353.35	0.11	-79.82
C[N@H+](CCO)CCC(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029805365	0	53	0.0	-78.81	403.90	-1.89	-80.70
C[N@@H+](CCO)CCC(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029805365	1	53	0.0	-79.33	403.79	-1.91	-81.24
C[C@@H](C(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[NH+](C)C	REAL300029805366	0	49	0.0	-77.82	368.50	0.41	-77.41
CC(C(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[NH+]1CC(C)C1	REAL300029805376	1	53	0.0	-75.18	397.42	1.46	-73.72
C[NH+](C)CC=CC(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029805378	0	50	0.0	-80.99	388.12	1.33	-79.66
CC[NH+](CC)CC(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029805398	0	52	0.0	-77.55	384.89	1.13	-76.42
CC[NH+](CC)CCC(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029805419	0	55	0.0	-78.58	407.16	1.75	-76.83
CC(C(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[NH+]1CCC1	REAL300029805445	1	50	0.0	-75.45	377.22	1.02	-74.43
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029805464	1	53	0.0	-75.67	382.17	1.16	-74.51
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029805464	1	53	0.0	-73.64	393.59	1.66	-71.98
C[NH+](C)CC(O)CC(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029805472	0	53	0.0	-81.47	405.57	-0.87	-82.34
C=CCC(C(=O)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[NH+](C)C	REAL300029805485	0	53	0.0	-75.62	399.24	1.73	-73.89
C[N@@H+]1CCCC1C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029805684	0	50	0.0	-67.80	379.96	1.52	-66.28
C[N@H+]1CCCC1C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029805684	1	50	0.0	-64.93	383.46	1.74	-63.19
C[N@@H+]1CCOC(C(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029805708	1	51	0.0	-86.77	390.99	1.03	-85.74
C[N@H+]1CCOC(C(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029805708	1	51	0.0	-63.45	387.31	1.85	-61.60
CC(C)[N@@H+]1CCCC1C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029805858	0	56	0.0	-66.39	416.62	2.67	-63.72
CC(C)[N@H+]1CCCC1C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029805858	1	56	0.0	-64.27	414.86	2.62	-61.65
CC1=[NH+]C=CN1CC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029805888	1	48	0.0	-54.68	382.16	3.48	-51.20
O=C(NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCC1CC2	REAL300029805910	0	54	0.0	-71.27	394.69	2.33	-68.94
C[C@@H]1[C@H](C(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029805943	0	53	0.0	-71.64	390.03	1.59	-70.05
C[C@@H]1[C@H](C(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029805943	1	53	0.0	-75.79	395.39	2.17	-73.62
CC[C@@H]1[C@@H](C(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029805945	0	56	0.0	-68.76	411.63	2.33	-66.43
CC[C@@H]1[C@@H](C(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029805945	1	56	0.0	-74.29	419.55	2.83	-71.46
CC[N@@H+]1CCOC(C(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029805951	1	54	0.0	-59.05	402.50	1.55	-57.50
CC[N@H+]1CCOC(C(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029805951	1	54	0.0	-81.83	412.63	1.83	-80.00
CC[NH+](CC)CC(F)C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029805977	0	55	0.0	-64.73	418.04	2.54	-62.19
CC1CCC(C)[NH+]1CC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806010	0	56	0.0	-56.74	411.36	3.73	-53.01
O=C(CCC[NH+]1CCCC1)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806013	0	56	0.0	-65.36	422.68	3.98	-61.38
O=C(CC[NH+]1CCCCC1)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806016	0	56	0.0	-69.35	418.54	2.98	-66.37
CC[N@@H+]1CCCCC1C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806019	0	56	0.0	-61.38	407.71	2.84	-58.54
CC[N@H+]1CCCCC1C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806019	1	56	0.0	-60.99	400.89	3.56	-57.43
C[NH+](C)C1(C(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029806029	0	53	0.0	-75.60	390.98	2.98	-72.62
CC(C)[C@@H](C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029806035	0	55	0.0	-62.99	400.60	3.05	-59.94
C[N@H+](CC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029806059	0	53	0.0	-58.96	400.98	3.41	-55.55
C[N@@H+](CC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029806059	1	53	0.0	-58.61	399.20	3.43	-55.18
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806124	1	52	0.0	-61.40	403.46	2.51	-58.89
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806124	1	52	0.0	-68.88	407.04	2.73	-66.15
C[N@@H+]1CCCC1CCC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806129	0	56	0.0	-79.92	422.40	3.18	-76.74
C[N@H+]1CCCC1CCC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806129	1	56	0.0	-70.31	415.15	2.62	-67.69
C[NH+]1CCC(C(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029806145	0	53	0.0	-65.16	398.35	3.12	-62.04
C[N@@H+]1CCCCC1C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806179	0	53	0.0	-67.80	395.73	2.25	-65.55
C[N@H+]1CCCCC1C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806179	1	53	0.0	-53.91	392.54	2.98	-50.93
O=C(NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)C1=CN2C=[NH+]C=C2C=C1	REAL300029806240	0	48	0.0	-66.68	385.28	4.99	-61.69
O=C(CC[NH+]1CCOCC1)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806246	1	54	0.0	-71.97	409.90	0.55	-71.42
CC1=C[NH+]=CN1CC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806259	1	48	0.0	-60.27	382.48	4.20	-56.07
O=C(NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+]1CCC2	REAL300029806278	0	54	0.0	-72.91	402.06	2.71	-70.20
C[N@@H+]1CCC(CC(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029806287	0	53	0.0	-72.13	401.30	2.15	-69.98
C[N@H+]1CCC(CC(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029806287	1	53	0.0	-76.36	401.54	2.14	-74.22
CCC(C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029806294	0	52	0.0	-69.84	387.53	1.74	-68.10
O=C(NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)C1=CC2=C[NH+]=CN2C=C1	REAL300029806321	1	48	0.0	-80.01	384.84	4.09	-75.92
C[NH+](C)CCCCC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806349	0	55	0.0	-68.47	418.07	3.56	-64.91
CC(C)C(C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029806361	0	55	0.0	-71.59	404.87	2.75	-68.84
CCC[N@H+](C)CCC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806362	0	55	0.0	-64.21	414.14	3.41	-60.80
CCC[N@@H+](C)CCC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806362	1	55	0.0	-64.72	414.36	3.39	-61.33
CCC[N@H+](C)CC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806365	0	52	0.0	-60.98	394.05	2.85	-58.13
CCC[N@@H+](C)CC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806365	1	52	0.0	-64.04	395.18	2.01	-62.03
O=C(NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)C12CC[N@H+](C1)CCC2	REAL300029806379	0	54	0.0	-71.42	399.32	1.93	-69.49
O=C(NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)C12CC[N@@H+](C1)CCC2	REAL300029806379	1	54	0.0	-70.57	397.01	1.81	-68.76
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806405	0	50	0.0	-71.71	374.55	1.08	-70.63
C[N@H+]1CCC[C@@H]1C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806405	1	50	0.0	-61.71	383.42	1.72	-59.99
CC[NH+](CC)CC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806438	0	52	0.0	-60.34	388.43	2.77	-57.57
CC1CC[NH+](CC(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029806498	0	56	0.0	-60.76	415.43	3.90	-56.86
C[NH+](C)CC1(C(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029806518	0	53	0.0	-76.72	408.30	2.51	-74.21
C[NH+]1CCC(C(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029806570	0	53	0.0	-65.16	398.35	3.12	-62.04
CC(C)[C@H](C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029806586	0	55	0.0	-57.02	403.11	3.58	-53.44
CCC(C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300029806614	0	58	0.0	-60.50	418.77	3.23	-57.27
CC[N@H+](C)CCC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806647	0	52	0.0	-63.74	392.64	2.67	-61.07
CC[N@@H+](C)CCC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806647	1	52	0.0	-64.29	392.87	2.64	-61.65
CC1CCC[N@@H+]1CC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806673	0	53	0.0	-61.43	403.65	2.44	-58.99
CC1CCC[N@H+]1CC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806673	1	53	0.0	-57.19	397.28	3.26	-53.93
CC1CC[N@H+](CC(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029806674	0	53	0.0	-65.37	401.20	2.35	-63.02
CC1CC[N@@H+](CC(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029806674	1	53	0.0	-73.48	403.91	2.70	-70.78
CC1(C)CC[N@H+](CC(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029806678	0	56	0.0	-63.88	422.37	2.99	-60.89
CC1(C)CC[N@@H+](CC(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029806678	1	56	0.0	-73.53	423.79	3.17	-70.36
C[N@H+](CC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029806679	0	58	0.0	-56.17	421.11	4.18	-51.99
C[N@@H+](CC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029806679	1	58	0.0	-61.07	431.81	4.63	-56.44
CC[C@@H](C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029806687	0	52	0.0	-65.77	389.51	2.47	-63.30
C[NH+](C)CC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806783	0	46	0.0	-62.06	353.18	1.43	-60.63
O=C(C[NH+]1CCCCCC1)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806786	0	56	0.0	-61.53	403.83	3.48	-58.05
CN1C=C[N+](CC(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029806789	0	48	0.0	-63.95	385.14	3.99	-59.96
C[N@@H+]1CCCC(C(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029806793	0	53	0.0	-73.47	399.12	2.06	-71.41
C[N@H+]1CCCC(C(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029806793	1	53	0.0	-61.08	392.38	2.39	-58.69
O=C(NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@@H+]1C1CC1	REAL300029806798	0	54	0.0	-64.54	411.15	3.02	-61.52
O=C(NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@H+]1C1CC1	REAL300029806798	1	54	0.0	-67.76	408.15	2.62	-65.14
CC(C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300029806813	1	50	0.0	-63.15	385.01	2.42	-60.73
CCC(CC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029806817	0	58	0.0	-61.13	427.75	4.47	-56.66
C[NH+](C)CC(C)(C)C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806822	0	55	0.0	-54.18	399.59	3.05	-51.13
O=C(C[NH+]1CCC(O)CC1)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806835	1	54	0.0	-64.45	405.67	-0.07	-64.52
C[N@H+](CC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029806836	0	50	0.0	-54.14	382.39	3.27	-50.87
C[N@@H+](CC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029806836	1	50	0.0	-58.43	383.10	2.85	-55.58
C[NH+]1CC(CC(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029806851	0	50	0.0	-63.33	384.38	2.20	-61.13
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806862	0	56	0.0	-70.13	400.70	2.53	-67.60
CC(C)(C)[N@H+]1CCC1C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806862	1	56	0.0	-64.69	399.89	1.62	-63.07
C[C@@H](C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029806873	0	49	0.0	-64.76	373.82	1.15	-63.61
[NH2+]=C1SC=CN1CC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806930	0	46	0.0	-57.21	383.07	0.78	-56.43
C[N@H+](CCO)CCC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806936	0	53	0.0	-65.65	403.23	-0.60	-66.25
C[N@@H+](CCO)CCC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806936	1	53	0.0	-62.80	402.88	-0.60	-63.40
C[C@@H](C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029806937	0	49	0.0	-64.76	373.82	1.15	-63.61
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806941	0	53	0.0	-66.34	389.81	2.21	-64.13
C[N@H+]1CCCC[C@@H]1C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806941	1	53	0.0	-64.74	399.72	2.32	-62.42
O=C(C[NH+]1CCC1)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806991	1	47	0.0	-61.19	364.68	1.87	-59.32
C[N@@H+]1CCC(=CC(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029807008	0	51	0.0	-78.99	396.64	2.37	-76.62
C[N@H+]1CCC(=CC(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029807008	1	51	0.0	-66.27	392.40	3.27	-63.00
C[NH+](C)CCOCC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807029	0	53	0.0	-68.37	408.68	2.45	-65.92
C=CCC(C)(C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029807042	0	56	0.0	-60.62	409.66	2.64	-57.98
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807063	0	54	0.0	-75.59	405.87	-0.89	-76.48
CC1CN(CC(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029807081	0	50	0.0	-62.30	384.47	2.59	-59.71
CC1C[NH+](CC(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029807081	1	50	0.0	-62.30	384.47	2.59	-59.71
CN(CCO)CC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807099	0	50	0.0	-59.58	381.81	-0.77	-60.35
C[N@H+](CCO)CC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807099	1	50	0.0	-61.19	382.77	-1.16	-62.35
C[N@@H+](CCO)CC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807099	1	50	0.0	-61.19	382.77	-1.16	-62.35
CC[N@@H+]1CCCC(C(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029807119	0	56	0.0	-59.34	412.42	3.14	-56.20
CC[N@H+]1CCCC(C(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029807119	1	56	0.0	-59.34	412.42	3.14	-56.20
CC(CC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029807121	0	55	0.0	-68.11	410.07	3.42	-64.69
CC[N@H+](C)CC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807126	0	49	0.0	-63.88	373.68	1.27	-62.61
CC[N@H+](CC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029807158	0	53	0.0	-59.01	398.72	3.44	-55.57
CC[NH+](CC)CCC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807168	0	55	0.0	-62.42	410.08	3.34	-59.08
CC1(O)CC[N@H+](CC(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029807203	0	54	0.0	-61.16	407.55	-0.25	-61.41
C[NH+](C)CC=CC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807206	0	50	0.0	-66.47	388.87	2.62	-63.85
CC(OCC[NH+](C)C)C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807215	0	56	0.0	-72.09	430.34	2.31	-69.78
C[NH+](C)CCOCCC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807221	0	56	0.0	-65.11	429.45	2.65	-62.46
COCCN(C)CC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807222	0	53	0.0	-60.55	405.02	1.24	-59.31
COCC[N@H+](C)CC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807222	1	53	0.0	-59.40	404.06	1.63	-57.77
COCC[N@@H+](C)CC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807222	1	53	0.0	-59.40	404.06	1.63	-57.77
C[NH+](C)C1(C(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029807242	0	56	0.0	-66.04	408.77	3.37	-62.67
CC(CCC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029807244	0	55	0.0	-64.65	410.06	3.14	-61.51
CCN1CCC1C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807250	0	50	0.0	-65.36	378.52	1.25	-64.11
CC[N@@H+]1CCC1C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807250	1	50	0.0	-65.94	388.12	1.67	-64.27
CC[N@H+]1CCC1C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807250	1	50	0.0	-65.94	388.12	1.67	-64.27
O=C(C[N@H+]1CCCC1CO)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807262	0	54	0.0	-61.46	401.54	-0.87	-62.33
C[NH+]1CCC(C)(C(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029807283	0	56	0.0	-74.17	415.08	2.79	-71.38
C=CCC(C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029807301	0	53	0.0	-70.80	401.18	2.31	-68.49
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807308	0	56	0.0	-59.44	416.73	2.33	-57.11
C[NH+](C)CCCCCC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807310	0	58	0.0	-69.41	439.57	4.33	-65.08
CCCC(C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029807330	0	55	0.0	-62.76	409.09	2.44	-60.32
C[NH+](C)C(C)(C)C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807333	0	52	0.0	-67.20	379.31	2.66	-64.54
C[N@@H+]1CCCCC1C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807358	0	53	0.0	-53.91	392.54	2.98	-50.93
C[N@H+]1CC=C(CC(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029807381	0	54	0.0	-62.61	411.16	4.14	-58.47
C[N@@H+]1CC=C(CC(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029807381	1	54	0.0	-62.61	411.16	4.14	-58.47
O=C(C=CC[NH+]1CCCC1)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807415	0	54	0.0	-65.51	415.22	3.83	-61.68
O=C(CC[NH+]1CCCC1)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807447	0	53	0.0	-63.17	400.78	3.14	-60.03
O=C(NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCN1CC2	REAL300029807470	0	53	0.0	-81.61	393.14	-0.75	-82.36
C[N@@H+]1CC2CC1(C(=O)NCC1CC3OCCC3N1C(=O)C1=CC(=O)[N-]O1)C2	REAL300029807474	0	51	0.0	-69.56	384.91	2.46	-67.10
O=C(C[N@@H+]1CC2CCC1C2)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807481	0	54	0.0	-60.39	401.64	2.66	-57.73
O=C(C[N@H+]1CC2CCC1C2)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807481	1	54	0.0	-60.39	401.64	2.66	-57.73
O=C(CN1CC2C=CC1C2)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807519	0	52	0.0	-58.68	391.03	3.32	-55.36
O=C(C[N@@H+]1CC2C=CC1C2)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807519	1	52	0.0	-71.90	397.85	2.86	-69.04
O=C(C[N@H+]1CC2C=CC1C2)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807519	1	52	0.0	-71.90	397.85	2.86	-69.04
CC(C[NH+](C)C)C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807551	0	52	0.0	-73.14	395.41	1.70	-71.44
C[N@@H+]1CCCCC1CC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807595	0	56	0.0	-73.26	413.57	2.89	-70.37
C[N@H+]1CCCCC1CC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807595	1	56	0.0	-73.26	413.57	2.89	-70.37
CC(C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)N1CC(C)C1	REAL300029807605	0	53	0.0	-58.47	405.15	3.12	-55.35
CC(C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300029807605	1	53	0.0	-58.47	405.15	3.12	-55.35
CC1CCN1CC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807607	0	50	0.0	-63.89	382.07	1.56	-62.33
CC1CC[N@@H+]1CC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807607	1	50	0.0	-66.52	387.18	1.79	-64.73
CC1CC[N@H+]1CC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807607	1	50	0.0	-66.52	387.18	1.79	-64.73
C[NH+](C)CC(O)CC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807610	0	53	0.0	-69.60	405.30	0.62	-68.98
CC1CN(C)CC(C(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029807630	0	54	0.0	-49.49	404.08	2.47	-47.02
CC1C[N@H+](C)CC(C(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029807630	1	54	0.0	-84.50	415.55	1.93	-82.57
CC1C[N@@H+](C)CC(C(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)O1	REAL300029807630	1	54	0.0	-84.50	415.55	1.93	-82.57
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029807672	0	53	0.0	-66.77	405.55	2.44	-64.33
CC(CC[NH+](C)C)C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807677	0	55	0.0	-77.04	416.65	2.40	-74.64
CN1CCN(CC(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029807694	0	55	0.0	-68.80	414.15	1.00	-67.80
C[NH+]1CCN(CC(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029807694	1	55	0.0	-68.80	414.15	1.00	-67.80
NC(=[NH2+])SCC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807716	0	44	0.0	-63.24	360.79	-1.63	-64.87
C[NH+](C)CCC1(C(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029807744	0	56	0.0	-81.59	431.77	3.27	-78.32
C[N@@H+]1CC=CCC1CC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807745	0	54	0.0	-57.74	398.29	3.45	-54.29
C[N@H+]1CC=CCC1CC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807745	1	54	0.0	-57.74	398.29	3.45	-54.29
C[C@@H](OCC[NH+](C)C)C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807757	0	56	0.0	-60.41	430.14	3.15	-57.26
CCC1C[NH+](CC(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029807835	1	53	0.0	-74.27	410.96	2.77	-71.50
C[N@H+]1CCC[C@H]1C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807840	1	50	0.0	-71.60	374.85	1.23	-70.37
O=C(CC[N@@H+]1CCC(F)C1)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807846	1	53	0.0	-72.38	409.82	2.33	-70.05
O=C(C[NH+]1CCCCC1)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807859	0	53	0.0	-60.35	394.60	3.28	-57.07
CC1C(C(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029807865	0	53	0.0	-65.44	393.85	2.79	-62.65
CC1C(C(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029807865	1	53	0.0	-65.76	399.05	2.25	-63.51
C[N@@H+]1CCOCC1CC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807894	1	54	0.0	-51.83	393.92	1.19	-50.64
C[N@H+]1CCOCC1CC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807894	1	54	0.0	-69.69	398.04	0.31	-69.38
C[N@@H+]1CCCC1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029808064	0	50	0.0	-65.59	375.00	2.36	-63.23
C[N@H+]1CCCC1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029808064	1	50	0.0	-69.23	376.06	2.52	-66.71
O=C(CC[NH+]1CCOCC1)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029808240	1	54	0.0	-66.94	413.65	0.93	-66.01
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C[N@@H+]1CCC(CC(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)C1	REAL300029808275	0	53	0.0	-60.74	398.06	3.35	-57.39
C[N@H+]1CCC(CC(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)C1	REAL300029808275	1	53	0.0	-69.65	401.41	2.99	-66.66
CCC(C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21)[NH+](C)C	REAL300029808282	0	52	0.0	-72.02	388.37	1.88	-70.14
C[NH+](C)CCCCC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029808315	0	55	0.0	-70.09	421.80	4.06	-66.03
CCC[N@H+](C)CCC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029808328	0	55	0.0	-69.82	418.19	3.90	-65.92
CCC[N@@H+](C)CCC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029808328	1	55	0.0	-64.85	419.89	2.89	-61.96
CCC[N@H+](C)CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029808330	0	52	0.0	-65.50	393.38	2.99	-62.51
CCC[N@@H+](C)CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029808330	1	52	0.0	-62.77	394.57	2.71	-60.06
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CC1CC[NH+](CC(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)CC1	REAL300029808371	0	56	0.0	-63.17	420.99	3.34	-59.83
C[NH+](C)CC1(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)CC1	REAL300029808400	0	53	0.0	-75.87	394.77	2.99	-72.88
CC[N@H+](C)CCC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029808416	0	52	0.0	-68.93	396.70	3.16	-65.77
CC[N@@H+](C)CCC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029808416	1	52	0.0	-64.35	398.39	2.14	-62.21
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CCC(C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21)[NH+](CC)CC	REAL300029808554	0	58	0.0	-62.11	416.49	4.11	-58.00
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CC1CC[N@H+](CC(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)C1	REAL300029808615	0	53	0.0	-60.73	400.48	3.12	-57.61
CC1CC[N@@H+](CC(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)C1	REAL300029808615	1	53	0.0	-66.90	401.78	3.53	-63.37
CC1(C)CC[N@H+](CC(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)C1	REAL300029808618	0	56	0.0	-61.80	419.68	3.71	-58.09
CC1(C)CC[N@@H+](CC(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)C1	REAL300029808618	1	56	0.0	-62.66	420.02	3.58	-59.08
C[N@H+](CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21)CC(C)(C)C	REAL300029808619	0	58	0.0	-69.90	421.32	4.27	-65.63
C[N@@H+](CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21)CC(C)(C)C	REAL300029808619	1	58	0.0	-62.81	425.80	3.85	-58.96
CC[C@@H](C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21)[NH+](C)C	REAL300029808626	0	52	0.0	-56.99	377.74	2.20	-54.79
CC1=[NH+]C=CN1CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029808722	1	48	0.0	-59.61	380.34	2.78	-56.83
CC[N@@H+]1CCOC(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)C1	REAL300029808772	1	54	0.0	-84.41	401.41	2.47	-81.94
CC[N@H+]1CCOC(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)C1	REAL300029808772	1	54	0.0	-79.65	404.11	2.05	-77.60
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CC1=C[NH+]=CN1CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029808798	1	48	0.0	-65.45	384.69	3.66	-61.79
C[C@@H]1[C@H](C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)CC[N@@H+]1C	REAL300029808803	0	53	0.0	-70.28	385.63	2.68	-67.60
C[C@@H]1[C@H](C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)CC[N@H+]1C	REAL300029808803	1	53	0.0	-67.55	391.28	2.78	-64.77
CC[C@@H]1[C@@H](C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)CC[N@@H+]1C	REAL300029808805	0	56	0.0	-72.04	408.53	3.43	-68.61
CC[C@@H]1[C@@H](C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)CC[N@H+]1C	REAL300029808805	1	56	0.0	-70.56	418.23	3.81	-66.75
CC1CCC(C)[NH+]1CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029808811	0	56	0.0	-64.31	409.55	3.80	-60.51
O=C(CCC[NH+]1CCCC1)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029808814	0	56	0.0	-64.12	427.84	3.42	-60.70
O=C(CC[NH+]1CCCCC1)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029808817	0	56	0.0	-64.14	422.39	3.34	-60.80
C[N@H+](CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21)C1CCC1	REAL300029808893	0	53	0.0	-58.74	400.13	3.21	-55.53
C[N@@H+](CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21)C1CCC1	REAL300029808893	1	53	0.0	-59.95	400.08	3.32	-56.63
C[NH+]1CCC(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)CC1	REAL300029808919	0	53	0.0	-69.79	392.57	2.73	-67.06
C[N@@H+]1CCC[C@@H]1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029808942	0	50	0.0	-60.67	379.00	1.43	-59.24
C[N@H+]1CCC[C@@H]1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029808942	1	50	0.0	-62.10	381.65	1.75	-60.35
C[N@@H+]1CCCC1CCC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029808960	0	56	0.0	-67.67	427.76	3.44	-64.23
C[N@H+]1CCCC1CCC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029808960	1	56	0.0	-65.90	415.77	3.92	-61.98
CC1C(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)CC[N@@H+]1C	REAL300029809060	0	53	0.0	-66.89	395.31	3.07	-63.82
CC1C(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)CC[N@H+]1C	REAL300029809060	1	53	0.0	-69.07	386.37	2.73	-66.34
CC(C)(C)[N@@H+]1CCC1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029809102	0	56	0.0	-66.80	413.39	3.41	-63.39
CC(C)(C)[N@H+]1CCC1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029809102	1	56	0.0	-62.57	416.98	3.45	-59.12
C[C@@H](C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21)[NH+](C)C	REAL300029809116	0	49	0.0	-65.04	373.55	2.08	-62.96
C=CCC(C)(C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21)[NH+](C)C	REAL300029809130	0	56	0.0	-71.38	395.44	3.06	-68.32
O=C(CC[NH+]1CCCC1)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029809145	0	53	0.0	-63.83	406.35	2.61	-61.22
C[N@H+](CCO)CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029809154	1	50	0.0	-64.95	383.55	-1.28	-66.23
C[N@@H+](CCO)CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029809154	1	50	0.0	-57.31	377.58	-0.84	-58.15
C[N@H+]1CC=C(CC(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)CC1	REAL300029809200	0	54	0.0	-66.53	418.27	3.24	-63.29
C[N@@H+]1CC=C(CC(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)CC1	REAL300029809200	1	54	0.0	-66.60	419.07	3.28	-63.32
CC1C[NH+](CC(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)C1	REAL300029809244	1	50	0.0	-68.05	388.12	3.01	-65.04
CC[N@@H+]1CCCC(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)C1	REAL300029809248	0	56	0.0	-67.12	404.44	3.58	-63.54
CC[N@H+]1CCCC(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)C1	REAL300029809248	1	56	0.0	-58.27	403.37	3.47	-54.80
NC1=[NH+]C=CC=C1CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029809252	0	49	0.0	-62.17	393.35	0.71	-61.46
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CC[N@H+](C)CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029809314	0	49	0.0	-62.54	373.22	1.94	-60.60
O=C(CN1CC2C=CC1C2)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029809343	0	52	0.0	-61.84	399.47	2.78	-59.06
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CC(OCC[NH+](C)C)C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029809413	0	56	0.0	-62.25	429.01	3.44	-58.81
C[NH+](C)CCOCCC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029809420	0	56	0.0	-68.92	433.47	2.70	-66.22
COCCN(C)CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029809422	0	53	0.0	-65.17	410.73	0.76	-64.41
COCC[N@H+](C)CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029809422	1	53	0.0	-65.14	405.80	1.13	-64.01
COCC[N@@H+](C)CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029809422	1	53	0.0	-65.14	405.80	1.13	-64.01
CC(CCC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21)[NH+](C)C	REAL300029809425	0	55	0.0	-64.29	415.02	2.61	-61.68
CC[N@H+](CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21)C1CC1	REAL300029809439	0	53	0.0	-60.70	404.51	2.88	-57.82
O=C(C[N@@H+]1CC2CCC1C2)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029809469	0	54	0.0	-64.95	403.99	3.93	-61.02
O=C(C[N@H+]1CC2CCC1C2)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029809469	1	54	0.0	-64.95	403.99	3.93	-61.02
CC(C[NH+](C)C)C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029809482	0	52	0.0	-70.77	388.64	2.72	-68.05
CCN1CCC1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029809511	0	50	0.0	-66.37	378.75	2.62	-63.75
CC[N@@H+]1CCC1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029809511	1	50	0.0	-68.02	388.80	2.99	-65.03
CC[N@H+]1CCC1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029809511	1	50	0.0	-68.02	388.80	2.99	-65.03
CCC(C)(C)[NH2+]C(C)C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029809519	0	58	0.0	-64.90	420.39	2.29	-62.61
CCCC(C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21)[NH+](C)C	REAL300029809551	0	55	0.0	-68.50	404.44	3.58	-64.92
CC(CC[NH+](C)C)C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029809566	0	55	0.0	-68.83	412.96	3.67	-65.16
C[N@@H+]1CC(C)(C)CC1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029809615	0	56	0.0	-62.66	410.26	2.92	-59.74
C[NH+](C)CCCCCC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029809617	0	58	0.0	-65.69	445.10	3.79	-61.90
CN1CCN(CC(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)CC1	REAL300029809624	0	55	0.0	-68.14	419.03	0.46	-67.68
C[NH+]1CCN(CC(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)CC1	REAL300029809624	1	55	0.0	-68.14	419.03	0.46	-67.68
CC1CN(C)CC(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)O1	REAL300029809669	0	54	0.0	-88.81	400.73	2.33	-86.48
CC1C[N@H+](C)CC(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)O1	REAL300029809669	1	54	0.0	-83.65	403.48	2.59	-81.06
CC1C[N@@H+](C)CC(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)O1	REAL300029809669	1	54	0.0	-83.65	403.48	2.59	-81.06
C[N@@H+]1CCCCC1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029809717	0	53	0.0	-65.22	379.60	2.38	-62.84
C[N@@H+]1CCC(=CC(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)C1	REAL300029809771	0	51	0.0	-65.87	394.11	2.31	-63.56
C[N@H+]1CCC(=CC(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)C1	REAL300029809771	1	51	0.0	-65.87	394.11	2.31	-63.56
O=C(CNC1=CC=[NH+]C=C1)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029809774	0	49	0.0	-60.80	394.06	0.12	-60.68
C[N@@H+]1CCC[C@H]1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029809832	0	50	0.0	-62.80	376.31	2.33	-60.47
C[NH+](C)[C@H]1C[C@H](C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)C1	REAL300029809909	0	53	0.0	-68.59	398.16	3.13	-65.46
C[N@@H+]1CC=CCC1CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029809917	0	54	0.0	-63.79	402.83	3.85	-59.94
C[N@H+]1CC=CCC1CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029809917	1	54	0.0	-61.36	400.34	3.36	-58.00
C[NH+](C)CCOCC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029809949	0	53	0.0	-65.50	414.42	2.00	-63.50
[NH2+]=C1SC=CN1CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029809968	0	46	0.0	-60.12	382.31	1.42	-58.70
C[C@@H](OCC[NH+](C)C)C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029809997	0	56	0.0	-62.91	428.93	3.43	-59.48
C[N@@H+]1CCCC(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)C1	REAL300029810019	0	53	0.0	-58.08	389.25	3.41	-54.67
C[N@H+]1CCCC(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)C1	REAL300029810019	1	53	0.0	-58.08	389.25	3.41	-54.67
O=C(C[NH+]1CCCCCC1)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029810020	0	56	0.0	-65.83	407.76	3.96	-61.87
CN1C=C[N+](CC(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)=C1	REAL300029810023	0	48	0.0	-62.86	388.38	5.49	-57.37
O=C(CN1CCC(O)CC1)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029810040	0	54	0.0	-66.50	411.23	-0.62	-67.12
O=C(C[NH+]1CCC(O)CC1)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029810040	1	54	0.0	-66.50	411.23	-0.62	-67.12
C[N@H+](CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21)C1CC1	REAL300029810041	0	50	0.0	-61.39	388.61	2.29	-59.10
O=C(CC[N@H+]1CCC(F)C1)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029810044	0	53	0.0	-76.15	407.51	3.76	-72.39
CC(CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21)C[NH+](C)C	REAL300029810062	0	55	0.0	-65.17	416.01	2.87	-62.30
CN1CCOCC1CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029810081	0	54	0.0	-68.60	405.98	1.28	-67.32
C[N@@H+]1CCOCC1CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029810081	1	54	0.0	-70.82	404.68	1.30	-69.52
C[N@H+]1CCOCC1CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029810081	1	54	0.0	-70.82	404.68	1.30	-69.52
CC1=CC(N)=NC=C1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029810109	0	49	0.0	-74.12	388.35	1.21	-72.91
CC1=CC(N)=[NH+]C=C1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029810109	1	49	0.0	-74.12	388.35	1.21	-72.91
CC1(O)CC[N@H+](CC(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)C1	REAL300029810134	0	54	0.0	-60.44	410.46	-0.23	-60.67
C[NH+]1CC(CC(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)C1	REAL300029810159	0	50	0.0	-67.95	388.04	2.74	-65.21
C[N@H+](CCO)CCC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029810183	0	53	0.0	-68.18	405.20	0.24	-67.94
C[N@@H+](CCO)CCC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029810183	1	53	0.0	-68.18	405.20	0.24	-67.94
C[N@@H+]1CCCCC1CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029810195	0	56	0.0	-63.53	417.63	3.10	-60.43
C[N@H+]1CCCCC1CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029810195	1	56	0.0	-63.53	417.63	3.10	-60.43
CC(C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21)N1CC(C)C1	REAL300029810205	0	53	0.0	-66.63	399.94	3.16	-63.47
CC(C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21)[NH+]1CC(C)C1	REAL300029810205	1	53	0.0	-66.63	399.94	3.16	-63.47
CC1CCN1CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029810207	0	50	0.0	-72.79	388.75	1.94	-70.85
CC1CC[N@@H+]1CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029810207	1	50	0.0	-61.74	379.31	2.10	-59.64
CC1CC[N@H+]1CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029810207	1	50	0.0	-61.74	379.31	2.10	-59.64
C[NH+](C)CC=CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029810211	0	50	0.0	-71.74	391.46	3.09	-68.65
CC1(C)CN(CC(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)C1	REAL300029810216	0	53	0.0	-69.48	405.92	3.40	-66.08
CC1(C)C[NH+](CC(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)C1	REAL300029810216	1	53	0.0	-69.48	405.92	3.40	-66.08
C[NH+](C)CCSCC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029810233	0	53	0.0	-75.16	423.51	3.88	-71.28
O=C(C[N@H+]1CCCC1CO)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029810249	0	54	0.0	-64.46	401.39	0.54	-63.92
CC[NH+](CC)CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029810253	0	52	0.0	-52.53	387.22	2.91	-49.62
O=C(CN1CCC1)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029810262	0	47	0.0	-64.00	369.42	1.31	-62.69
O=C(C[NH+]1CCC1)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029810262	1	47	0.0	-64.00	369.42	1.31	-62.69
CC[NH+](CC)CCC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029810286	0	55	0.0	-70.20	410.82	3.67	-66.53
CC(C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21)N1CCC1	REAL300029810329	0	50	0.0	-66.47	385.06	2.84	-63.63
CC(C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21)[NH+]1CCC1	REAL300029810329	1	50	0.0	-66.47	385.06	2.84	-63.63
CCC(CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21)C[NH+](C)C	REAL300029810334	0	58	0.0	-63.44	433.77	3.46	-59.98
C[N@@H+]1CCCC[C@@H]1C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029810364	0	53	0.0	-55.31	396.74	2.95	-52.36
C[NH+](C)CC(O)CC(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029810383	0	53	0.0	-67.99	409.17	0.32	-67.67
C=CCC(C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21)[NH+](C)C	REAL300029810404	0	53	0.0	-60.10	394.86	2.19	-57.91
C[NH+](C)CCSCC(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029810470	0	53	0.0	-68.67	419.60	3.79	-64.88
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@@H+]1C	REAL300029810615	0	45	0.0	-61.05	350.84	2.51	-58.54
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CN(C)CCO1	REAL300029810639	0	46	0.0	-64.72	356.28	1.83	-62.89
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@H+](C)CCO1	REAL300029810639	1	46	0.0	-77.35	355.36	1.79	-75.56
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@@H+](C)CCO1	REAL300029810639	1	46	0.0	-77.35	355.36	1.79	-75.56
CC(C)C1=NC=CN1CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029810841	0	52	0.0	-64.86	411.34	4.77	-60.09
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029810841	1	52	0.0	-64.86	411.34	4.77	-60.09
CC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+]1CCCCCC1	REAL300029810849	0	54	0.0	-62.65	395.26	3.91	-58.74
CC(C)[N@@H+]1CCCCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029810852	0	54	0.0	-57.60	398.28	4.00	-53.60
CC(C)[N@H+]1CCCCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029810852	1	54	0.0	-59.35	392.13	4.14	-55.21
CC(C)[N@@H+]1CCCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029810888	0	51	0.0	-60.81	384.13	3.64	-57.17
CC(C)[N@H+]1CCCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029810888	1	51	0.0	-61.78	384.21	3.64	-58.14
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300029810918	0	52	0.0	-66.17	393.41	4.29	-61.88
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC2CCCC[N@H+]2C1	REAL300029810918	1	52	0.0	-68.55	393.89	4.23	-64.32
CC(C)C1=[NH+]C=CN1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029810958	1	49	0.0	-60.97	390.81	4.23	-56.74
CC1=[NH+]C=CN1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029811020	1	43	0.0	-63.07	354.58	3.17	-59.90
CC(C[NH+]1CCOCC1)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029811022	0	52	0.0	-71.88	397.46	2.32	-69.56
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCC[NH+]1CCCCC1	REAL300029811045	0	54	0.0	-67.12	410.73	4.79	-62.33
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)(C)[NH+]1CCCCC1	REAL300029811086	0	54	0.0	-68.14	394.50	4.56	-63.58
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300029811089	0	58	0.0	-66.98	430.55	5.40	-61.58
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300029811089	1	58	0.0	-62.27	430.71	5.45	-56.82
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[NH+]2CCC1CC2	REAL300029811107	0	49	0.0	-70.70	367.18	3.34	-67.36
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCCC2CCC[N@@H+]21	REAL300029811174	0	52	0.0	-60.13	389.52	4.31	-55.82
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCCC2CCC[N@H+]21	REAL300029811174	1	52	0.0	-58.20	389.59	4.38	-53.82
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300029811177	0	51	0.0	-79.32	410.31	3.09	-76.23
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300029811194	0	51	0.0	-84.28	410.62	3.12	-81.16
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300029811202	0	48	0.0	-65.49	360.73	2.50	-62.99
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300029811202	1	48	0.0	-70.63	366.97	2.74	-67.89
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029811206	1	52	0.0	-65.84	411.87	4.82	-61.02
CC[C@@H]1[C@@H](C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC[N@@H+]1C	REAL300029811209	0	51	0.0	-65.00	382.10	3.17	-61.83
CC[C@@H]1[C@@H](C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC[N@H+]1C	REAL300029811209	1	51	0.0	-66.38	386.64	3.81	-62.57
CC[N@@H+]1CCOC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029811239	1	49	0.0	-82.39	381.29	2.65	-79.74
CC[N@H+]1CCOC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029811239	1	49	0.0	-78.58	374.16	2.50	-76.08
CC[NH+](CC)CC(F)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029811315	0	50	0.0	-75.91	383.04	3.20	-72.71
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=C(C[NH+](C)C)C=CS1	REAL300029811316	0	48	0.0	-56.57	391.13	4.16	-52.41
CC1CCC(C)[NH+]1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029811445	0	51	0.0	-67.85	373.57	3.24	-64.61
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCC[NH+]1CCCC1	REAL300029811456	0	51	0.0	-67.09	395.06	4.08	-63.01
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300029811457	0	51	0.0	-71.96	404.09	5.09	-66.87
C#CC[NH+]1CCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC1	REAL300029811467	0	50	0.0	-75.92	395.26	4.41	-71.51
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[NH+]1CCCCC1	REAL300029811469	0	51	0.0	-70.60	389.94	4.03	-66.57
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=CC=C1C[NH+](C)C	REAL300029811473	0	51	0.0	-56.15	396.56	5.36	-50.79
CC[N@@H+]1CCCCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029811485	0	51	0.0	-57.55	385.02	3.79	-53.76
CC[N@H+]1CCCCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029811485	1	51	0.0	-67.60	385.87	3.81	-63.79
CC(C)C(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+]1CCCCC1	REAL300029811486	0	57	0.0	-66.48	416.07	5.55	-60.93
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C1=CC=CC=C1)[NH+](C)C	REAL300029811490	1	51	0.0	-58.49	399.91	5.04	-53.45
CC(C)C[N@@H+]1CCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029811517	0	54	0.0	-69.06	411.09	4.53	-64.53
CC(C)C[N@H+]1CCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029811517	1	54	0.0	-66.93	409.95	4.46	-62.47
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1([NH+](C)C)CCC1	REAL300029811521	0	48	0.0	-66.50	356.75	3.12	-63.38
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@@H+]1C1CCOCC1	REAL300029811524	0	56	0.0	-69.75	402.65	3.19	-66.56
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@H+]1C1CCOCC1	REAL300029811524	1	56	0.0	-68.26	406.59	3.05	-65.21
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(CN1C=CC=N1)[NH+](C)C	REAL300029811526	1	51	0.0	-68.57	402.49	3.45	-65.12
CC(C)[N@@H+]1CCCC1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029811533	0	54	0.0	-54.98	394.15	3.64	-51.34
CC(C)[N@H+]1CCCC1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029811533	1	54	0.0	-63.14	395.72	3.66	-59.48
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300029811534	0	55	0.0	-67.13	397.87	5.14	-61.99
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@H+]1C1CCCC1	REAL300029811534	1	55	0.0	-67.70	411.88	5.02	-62.68
CC(C)[C@@H](C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+](C)C	REAL300029811564	0	50	0.0	-64.55	370.16	3.16	-61.39
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+](C)C1CCC1	REAL300029811637	0	48	0.0	-62.01	371.36	3.53	-58.48
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+](C)C1CCC1	REAL300029811637	1	48	0.0	-63.40	371.45	3.53	-59.87
CC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+]1C(C)CCC1C	REAL300029811742	0	54	0.0	-58.52	393.21	3.55	-54.97
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCN(C)C1=CC=[NH+]C=C1	REAL300029811827	0	50	0.0	-60.34	399.62	3.21	-57.13
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029811841	1	47	0.0	-59.66	371.82	3.32	-56.34
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029811841	1	47	0.0	-66.39	378.66	3.83	-62.56
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCC1CCC[N@@H+]1C	REAL300029811853	0	51	0.0	-68.83	387.86	3.64	-65.19
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCC1CCC[N@H+]1C	REAL300029811853	1	51	0.0	-71.29	389.68	3.90	-67.39
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2	REAL300029811870	0	52	0.0	-68.31	383.46	3.71	-64.60
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC2CCCC[N@@H+]21	REAL300029811878	0	52	0.0	-61.06	393.21	4.51	-56.55
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC2CCCC[N@H+]21	REAL300029811878	1	52	0.0	-64.34	386.77	4.03	-60.31
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1	REAL300029811890	0	55	0.0	-70.24	409.52	2.84	-67.40
CC[NH+](CC)CC1=CC=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)O1	REAL300029811907	0	54	0.0	-76.86	421.78	4.51	-72.35
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCCC[NH+]1CCCC1	REAL300029811912	0	54	0.0	-68.46	415.53	4.80	-63.66
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300029811915	1	51	0.0	-73.86	402.78	5.15	-68.71
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300029811915	1	51	0.0	-74.34	402.77	5.15	-69.19
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[NH+](C)CC1	REAL300029811933	0	48	0.0	-72.71	369.81	3.22	-69.49
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=NOC(C[NH+](C)C)=C1	REAL300029812006	1	47	0.0	-77.02	383.29	2.45	-74.57
CC1=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C=CC2=C[NH+]=CN21	REAL300029812008	0	46	0.0	-69.06	377.44	5.33	-63.73
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCCC[N@@H+]1C	REAL300029812067	0	48	0.0	-61.18	357.86	2.94	-58.24
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCCC[N@H+]1C	REAL300029812067	1	48	0.0	-66.56	357.80	2.99	-63.57
CC(C)C[N@@H+]1CCCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029812104	0	54	0.0	-69.83	396.15	4.61	-65.22
CC(C)C[N@H+]1CCCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029812104	1	54	0.0	-66.92	404.98	4.18	-62.74
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300029812293	0	43	0.0	-71.42	356.17	5.11	-66.31
CC1=[NH+]C=CN1CCCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029812309	1	49	0.0	-65.58	396.23	4.44	-61.14
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCCC[NH+]1CCOCC1	REAL300029812313	1	55	0.0	-74.44	424.33	3.18	-71.26
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300029812319	0	51	0.0	-81.27	404.15	5.03	-76.24
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[NH+]1CCOCC1	REAL300029812320	1	49	0.0	-73.72	381.19	1.62	-72.10
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)(C1=CC=CC=C1)[NH+](C)C	REAL300029812342	0	54	0.0	-79.74	401.27	4.97	-74.77
CCC[NH+](CCC)CCCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029812350	0	59	0.0	-67.27	447.78	5.76	-61.51
CC[N@H+](C)C(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)C1=CC=CC=C1	REAL300029812351	0	54	0.0	-64.86	409.47	5.41	-59.45
CC[N@@H+](C)C(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)C1=CC=CC=C1	REAL300029812351	1	54	0.0	-62.38	419.31	5.74	-56.64
CC1=C[NH+]=CN1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029812378	1	43	0.0	-66.96	355.68	3.95	-63.01
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1C=[NH+]C2=C1CCCC2	REAL300029812392	1	50	0.0	-65.81	397.60	5.61	-60.20
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(C[NH+](C)C)CCCCC1	REAL300029812440	0	57	0.0	-76.88	409.42	5.02	-71.86
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=CC=C1CC[NH+](C)C	REAL300029812441	0	54	0.0	-57.05	417.73	5.85	-51.20
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[N@H+](C)C1CCCCC1	REAL300029812448	0	57	0.0	-68.01	423.56	5.15	-62.86
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[N@@H+](C)C1CCCCC1	REAL300029812448	1	57	0.0	-66.96	423.56	5.15	-61.81
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CCC[NH+]1CCC2	REAL300029812454	0	49	0.0	-59.27	368.55	3.27	-56.00
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCCC([NH+](C)C)C1	REAL300029812498	0	54	0.0	-60.97	397.36	4.17	-56.80
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1CC[N@H+](C)C1	REAL300029812505	0	48	0.0	-68.01	372.43	3.11	-64.90
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1CC[N@@H+](C)C1	REAL300029812505	1	48	0.0	-71.43	371.87	3.13	-68.30
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=C[NH+]=CC=C1N(C)C	REAL300029812519	0	47	0.0	-73.60	375.81	2.31	-71.29
CCC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+](C)C	REAL300029812525	0	47	0.0	-60.91	357.90	2.70	-58.21
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1([NH+](C)C)CCCC1	REAL300029812550	0	54	0.0	-69.01	389.19	3.93	-65.08
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300029812629	1	43	0.0	-76.12	356.44	5.11	-71.01
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300029812678	1	46	0.0	-81.99	385.64	3.05	-78.94
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCCC[NH+](C)C	REAL300029812714	0	50	0.0	-69.84	390.59	3.69	-66.15
CC(C)C(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+](C)C	REAL300029812739	0	50	0.0	-60.02	371.49	3.59	-56.43
CCC[N@H+](C)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029812741	0	50	0.0	-67.37	386.74	3.50	-63.87
CCC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029812741	1	50	0.0	-67.56	386.82	3.50	-64.06
CCC[N@H+](C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029812748	0	47	0.0	-69.82	365.25	2.96	-66.86
CCC[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029812748	1	47	0.0	-69.63	365.25	2.94	-66.69
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CC[N@H+](C1)CCC2	REAL300029812781	0	49	0.0	-71.54	366.94	2.79	-68.75
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CC[N@@H+](C1)CCC2	REAL300029812781	1	49	0.0	-73.26	367.83	2.74	-70.52
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H]1CCC[N@@H+]1C	REAL300029812857	0	45	0.0	-64.12	350.30	2.55	-61.57
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H]1CCC[N@H+]1C	REAL300029812857	1	45	0.0	-68.68	345.09	2.04	-66.64
CC1CC2CCC(C(=O)N[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C)C[N@@H+]2C1	REAL300029812888	0	55	0.0	-68.66	413.97	4.96	-63.70
CC1CC2CCC(C(=O)N[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C)C[N@H+]2C1	REAL300029812888	1	55	0.0	-63.25	408.19	5.13	-58.12
CCCCCC[N@H+](C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029812948	0	56	0.0	-65.97	428.88	5.32	-60.65
CCCCCC[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029812948	1	56	0.0	-70.76	429.85	5.32	-65.44
CC[NH+](CC)C(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)C(C)C	REAL300029812960	0	56	0.0	-65.65	406.36	4.82	-60.83
CC[NH+](CC)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029812973	0	47	0.0	-62.71	356.78	2.59	-60.12
CCC[N@@H+]1CCCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029813006	0	54	0.0	-70.34	409.81	4.60	-65.74
CCC[N@H+]1CCCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029813006	1	54	0.0	-69.09	409.75	4.57	-64.52
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300029813019	0	58	0.0	-65.21	418.60	5.56	-59.65
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCCC[N@H+]1C1CCCC1	REAL300029813019	1	58	0.0	-60.49	422.79	5.38	-55.11
CC(C)[N@@H+]1CCOC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029813032	1	52	0.0	-80.22	398.02	3.16	-77.06
CC(C)[N@H+]1CCOC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029813032	1	52	0.0	-68.26	397.26	3.15	-65.11
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+]1CCC(C)CC1	REAL300029813076	0	51	0.0	-65.19	387.78	3.96	-61.23
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300029813110	1	46	0.0	-77.68	385.30	3.04	-74.64
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)COC1CC[NH+](C)CC1	REAL300029813120	0	52	0.0	-75.48	405.07	3.58	-71.90
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(C[NH+](C)C)CC1	REAL300029813140	0	48	0.0	-71.55	377.59	3.26	-68.29
CC1=[NH+]C=C2CCC(C(=O)N[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C)CN21	REAL300029813141	1	50	0.0	-65.20	394.31	4.36	-60.84
CC(C)[NH+]1CCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC1	REAL300029813253	0	54	0.0	-69.88	400.49	4.17	-65.71
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[NH+](C)CC1	REAL300029813285	0	48	0.0	-72.71	369.81	3.22	-69.49
CC(C)[C@H](C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+](C)C	REAL300029813308	0	50	0.0	-70.79	371.00	3.08	-67.71
CCC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+](CC)CC	REAL300029813348	0	53	0.0	-59.12	388.65	4.02	-55.10
CC[N@H+](C)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029813452	0	47	0.0	-66.77	365.33	2.77	-64.00
CC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029813452	1	47	0.0	-66.95	365.24	2.77	-64.18
CC1CCC[N@H+]1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029813541	0	48	0.0	-66.78	370.94	3.28	-63.50
CC1CCC[N@@H+]1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029813541	1	48	0.0	-62.57	370.46	3.29	-59.28
CC1CC[N@H+](CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029813544	0	48	0.0	-63.16	371.41	3.18	-59.98
CC1CC[N@@H+](CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029813544	1	48	0.0	-68.98	371.40	3.22	-65.76
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(F)CC[N@@H+](C(C)(C)C)C1	REAL300029813545	0	54	0.0	-58.39	407.34	3.82	-54.57
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(F)CC[N@H+](C(C)(C)C)C1	REAL300029813545	1	54	0.0	-66.42	407.35	3.78	-62.64
CC1=[NH+]C=C2CC(C(=O)N[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C)CCN21	REAL300029813547	1	50	0.0	-63.12	394.52	4.29	-58.83
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300029813549	0	54	0.0	-82.13	426.66	5.88	-76.25
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1	REAL300029813551	0	51	0.0	-63.78	390.89	3.81	-59.97
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+]1CCC(C)(C)C1	REAL300029813551	1	51	0.0	-63.69	390.02	3.77	-59.92
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+](C)CC(C)(C)C	REAL300029813552	0	53	0.0	-63.58	395.29	4.12	-59.46
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+](C)CC(C)(C)C	REAL300029813552	1	53	0.0	-64.90	392.99	3.95	-60.95
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300029813553	0	54	0.0	-73.23	425.17	5.97	-67.26
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300029813553	1	54	0.0	-73.38	425.16	5.98	-67.40
CC[C@@H](C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+](C)C	REAL300029813565	0	47	0.0	-59.79	355.46	2.54	-57.25
CC(COCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+]1CCCC1	REAL300029813573	0	55	0.0	-70.06	424.50	4.29	-65.77
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[NH+](CC2CC2)CC1	REAL300029813690	0	55	0.0	-75.81	419.78	5.46	-70.35
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C1=CC=CC=C1	REAL300029813753	0	55	0.0	-69.82	429.41	5.90	-63.92
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C1=CC=CC=C1	REAL300029813753	1	55	0.0	-76.90	430.09	5.89	-71.01
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1(O)CC[NH+](C)CC1	REAL300029813864	0	52	0.0	-71.24	395.72	1.82	-69.42
COCC[N@@H+]1CCCC1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029813873	0	55	0.0	-62.98	416.58	3.51	-59.47
COCC[N@H+]1CCCC1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029813873	1	55	0.0	-65.66	416.92	2.59	-63.07
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+]1CCC(CO)CC1	REAL300029813886	1	52	0.0	-73.98	399.44	0.71	-73.27
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+]1CCCCCC1	REAL300029813890	0	51	0.0	-63.03	376.34	3.56	-59.47
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N+]1=CN(C)C=C1	REAL300029813895	0	43	0.0	-65.94	357.15	5.12	-60.82
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@H+](C)C1	REAL300029813908	0	48	0.0	-65.89	369.80	3.13	-62.76
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@@H+](C)C1	REAL300029813908	1	48	0.0	-65.13	364.35	3.38	-61.75
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@@H+]1C1CC1	REAL300029813913	0	49	0.0	-65.24	383.41	4.12	-61.12
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@H+]1C1CC1	REAL300029813913	1	49	0.0	-70.24	376.34	3.48	-66.76
CC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+]1CCC1	REAL300029813954	1	45	0.0	-67.82	353.91	2.58	-65.24
CCC(CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)C[NH+](C)C	REAL300029813966	0	53	0.0	-65.18	400.40	4.10	-61.08
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)(C)C[NH+](C)C	REAL300029813975	0	50	0.0	-70.91	373.22	3.20	-67.71
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300029813999	0	50	0.0	-63.03	376.12	3.82	-59.21
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300029813999	1	50	0.0	-68.90	377.01	4.32	-64.58
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+]1CCC(O)CC1	REAL300029814027	1	49	0.0	-69.17	378.03	0.00	-69.17
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+](C)C1CC1	REAL300029814029	0	45	0.0	-62.08	354.55	2.96	-59.12
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+](C)C1CC1	REAL300029814029	1	45	0.0	-67.00	355.36	2.97	-64.03
CC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)N1CC[NH+](C)CC1	REAL300029814030	1	53	0.0	-64.38	396.14	1.30	-63.08
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1C[NH+](C)C1	REAL300029814066	0	45	0.0	-65.05	356.41	2.30	-62.75
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@@H+]1C1CCCC1	REAL300029814070	0	52	0.0	-64.52	397.71	4.51	-60.01
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@H+]1C1CCCC1	REAL300029814070	1	52	0.0	-67.15	396.06	4.33	-62.82
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300029814079	0	51	0.0	-65.78	387.32	3.26	-62.52
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@H+]1C(C)(C)C	REAL300029814079	1	51	0.0	-66.42	367.71	3.07	-63.35
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300029814092	0	51	0.0	-63.46	401.90	2.08	-61.38
C[C@@H](C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+](C)C	REAL300029814096	0	44	0.0	-66.12	343.92	1.96	-64.16
CCC1CCC[N@H+](CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029814155	0	54	0.0	-62.05	398.79	4.21	-57.84
CCC1CCC[N@@H+](CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029814155	1	54	0.0	-69.49	399.42	4.27	-65.22
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=C(C[NH+](C)C)N1	REAL300029814165	0	49	0.0	-80.17	392.84	2.78	-77.39
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1CC2CCC(C1)[NH+]2C	REAL300029814182	0	55	0.0	-73.38	390.83	3.96	-69.42
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC(C1=CC=CC=C1)[NH+](C)C	REAL300029814189	0	54	0.0	-79.44	416.02	5.55	-73.89
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1C=CSC1=[NH2+]	REAL300029814237	0	41	0.0	-66.89	353.10	1.72	-65.17
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[N@H+](C)CCO	REAL300029814250	0	48	0.0	-67.94	375.67	-0.45	-68.39
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[N@@H+](C)CCO	REAL300029814250	1	48	0.0	-65.62	375.58	-0.48	-66.10
C[C@@H](C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+](C)C	REAL300029814251	0	44	0.0	-66.12	343.92	1.96	-64.16
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H]1CCCC[N@@H+]1C	REAL300029814256	0	48	0.0	-68.71	368.04	3.16	-65.55
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H]1CCCC[N@H+]1C	REAL300029814256	1	48	0.0	-66.76	357.73	2.94	-63.82
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@@H+]2CCN1CC2C	REAL300029814267	0	51	0.0	-63.58	376.50	0.47	-63.11
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@H+]2CCN1CC2C	REAL300029814267	1	51	0.0	-79.43	378.85	0.56	-78.87
COC1C[N@@H+]2CCCC2(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029814321	0	53	0.0	-66.76	401.05	2.33	-64.43
COC1C[N@H+]2CCCC2(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029814321	1	53	0.0	-67.49	399.61	2.48	-65.01
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1=CC2=C[NH+]=CN2C=C1	REAL300029814339	0	46	0.0	-67.08	379.61	5.67	-61.41
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+](C)C1CCSC1	REAL300029814376	0	49	0.0	-73.14	385.37	3.81	-69.33
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+](C)C1CCSC1	REAL300029814376	1	49	0.0	-72.52	384.64	3.79	-68.73
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=NC(C[NH+](C)C)=C1	REAL300029814421	1	50	0.0	-71.62	400.06	3.65	-67.97
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C=C1CC[N@H+](C)C1	REAL300029814423	0	46	0.0	-73.58	363.83	3.18	-70.40
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C=C1CC[N@@H+](C)C1	REAL300029814423	1	46	0.0	-72.99	364.91	3.08	-69.91
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[NH+](C2CCCCC2)C1	REAL300029814454	0	55	0.0	-74.40	417.93	4.95	-69.45
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)COCC[NH+](C)C	REAL300029814475	0	48	0.0	-69.08	381.04	2.54	-66.54
CCCCC[N@H+](C)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029814483	0	56	0.0	-68.23	429.82	5.05	-63.18
CCCCC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029814483	1	56	0.0	-68.40	429.82	5.06	-63.34
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300029814495	0	52	0.0	-69.41	403.99	3.48	-65.93
C=CCC(C)(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+](C)C	REAL300029814507	0	51	0.0	-61.57	381.20	3.59	-57.98
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(O)CC[S+](C)C	REAL300029814512	0	47	0.0	-64.25	390.07	1.17	-63.08
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(C)CC(O)C[N@@H+]1C	REAL300029814555	0	49	0.0	-70.19	375.34	-0.34	-70.53
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CN(C)CC[N@H+](C)C1	REAL300029814570	0	53	0.0	-68.21	396.35	1.69	-66.52
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CN(C)CC[N@@H+](C)C1	REAL300029814570	1	53	0.0	-68.21	396.35	1.69	-66.52
CC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[N@@H+]1CCCC(O)C1	REAL300029814571	0	52	0.0	-69.82	397.00	0.45	-69.37
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1CCC(CO)CC1	REAL300029814589	0	52	0.0	-73.98	399.44	0.71	-73.27
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+]1CCC(CO)CC1	REAL300029814589	1	52	0.0	-73.98	399.44	0.71	-73.27
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1(O)CCC[N@H+](C)C1	REAL300029814600	0	52	0.0	-66.67	392.69	1.98	-64.69
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1(O)CCC[N@@H+](C)C1	REAL300029814600	1	52	0.0	-66.67	392.69	1.98	-64.69
CC1CN(CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029814604	0	45	0.0	-69.81	357.13	2.64	-67.17
CC1C[NH+](CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029814604	1	45	0.0	-69.81	357.13	2.64	-67.17
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1CCC(C(N)=O)CC1	REAL300029814610	0	52	0.0	-77.79	402.85	0.02	-77.77
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+]1CCC(C(N)=O)CC1	REAL300029814610	1	52	0.0	-77.79	402.85	0.02	-77.77
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN(C)CCO	REAL300029814636	0	45	0.0	-64.21	353.24	-1.01	-65.22
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+](C)CCO	REAL300029814636	1	45	0.0	-70.80	354.00	-1.00	-71.80
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+](C)CCO	REAL300029814636	1	45	0.0	-70.80	354.00	-1.00	-71.80
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C=C1CC2CCC(C1)[NH+]2C	REAL300029814669	0	53	0.0	-68.71	399.12	4.52	-64.19
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@@H+]2CCN1CCC2	REAL300029814674	0	51	0.0	-84.19	372.70	1.37	-82.82
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@H+]2CCN1CCC2	REAL300029814674	1	51	0.0	-84.19	372.70	1.37	-82.82
CC[N@@H+]1CCCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029814685	0	51	0.0	-64.38	387.40	3.77	-60.61
CC[N@H+]1CCCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029814685	1	51	0.0	-64.38	387.40	3.77	-60.61
CC(CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)C[NH+](C)C	REAL300029814687	0	50	0.0	-73.02	383.21	3.53	-69.49
CC[N@H+](C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029814705	0	44	0.0	-69.25	343.86	2.22	-67.03
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CCC[N@@H+]1CCCC2	REAL300029814737	0	52	0.0	-64.21	379.17	4.11	-60.10
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CCC[N@H+]1CCCC2	REAL300029814737	1	52	0.0	-64.21	379.17	4.11	-60.10
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CCC[N@@H+]1CC=CC2	REAL300029814747	0	50	0.0	-60.84	373.52	3.80	-57.04
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CCC[N@H+]1CC=CC2	REAL300029814747	1	50	0.0	-60.84	373.52	3.80	-57.04
CC[N@H+](CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)C1CC1	REAL300029814780	0	48	0.0	-62.38	371.21	3.49	-58.89
CC[NH+](CC)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029814805	0	50	0.0	-70.37	384.01	3.49	-66.88
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCCC[NH+]1CCCCC1	REAL300029814852	0	57	0.0	-68.29	432.25	5.56	-62.73
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+]1CCC(C)(O)C1	REAL300029814890	0	49	0.0	-64.64	380.94	-0.11	-64.75
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+]1CCC(C)(O)C1	REAL300029814890	1	49	0.0	-63.21	381.13	-0.10	-63.31
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C=CC[NH+](C)C	REAL300029814903	0	45	0.0	-68.76	362.41	2.76	-66.00
CC(OCC[NH+](C)C)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029814934	0	51	0.0	-70.86	401.60	3.36	-67.50
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCOCC[NH+](C)C	REAL300029814947	0	51	0.0	-66.13	401.97	2.35	-63.78
COCC[N@H+](C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029814948	1	48	0.0	-66.58	375.28	1.40	-65.18
COCC[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029814948	1	48	0.0	-64.22	375.49	1.39	-62.83
COCCCC[N@H+](C)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029814986	0	57	0.0	-71.06	441.91	3.35	-67.71
COCCCC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029814986	1	57	0.0	-71.27	442.00	3.35	-67.92
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1([NH+](C)C)CCCC1	REAL300029815014	0	51	0.0	-66.54	373.45	3.89	-62.65
CC(CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+](C)C	REAL300029815017	0	50	0.0	-71.71	378.56	3.28	-68.43
CC[N@@H+]1CCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029815028	1	45	0.0	-64.61	356.81	2.47	-62.14
CC[N@H+]1CCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029815028	1	45	0.0	-64.53	356.89	2.53	-62.00
CC(C)[N@@H+]1CCCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029815044	0	54	0.0	-64.98	404.03	4.29	-60.69
CC(C)[N@H+]1CCCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029815044	1	54	0.0	-63.76	404.08	4.28	-59.48
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCN(C2=[NH+]C=CN2C)C1	REAL300029815045	1	52	0.0	-63.31	406.50	4.14	-59.17
CC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[N@H+](C)CC1=CC=CC=C1	REAL300029815052	0	54	0.0	-63.28	420.18	5.53	-57.75
CC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[N@@H+](C)CC1=CC=CC=C1	REAL300029815052	1	54	0.0	-68.09	420.24	5.52	-62.57
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+]1CCCC1CO	REAL300029815061	0	49	0.0	-67.44	372.02	0.13	-67.31
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+]1CCCC1CO	REAL300029815061	1	49	0.0	-68.54	380.85	0.12	-68.42
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300029815094	0	52	0.0	-66.17	393.41	4.29	-61.88
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC2CCCC[N@H+]2C1	REAL300029815094	1	52	0.0	-68.55	393.89	4.23	-64.32
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(C)CC[NH+](C)CC1	REAL300029815105	0	51	0.0	-70.86	383.27	3.57	-67.29
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC(C[NH+](C)C)=CN1	REAL300029815112	0	49	0.0	-70.71	391.62	2.77	-67.94
CC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+]1CCC(O)CC1	REAL300029815134	1	52	0.0	-64.50	388.57	0.32	-64.18
C#CC1(O)CC[NH+](C(C)C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC1	REAL300029815143	1	54	0.0	-68.66	414.43	1.28	-67.38
C=CCC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+](C)C	REAL300029815155	0	48	0.0	-68.01	371.82	3.15	-64.86
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CCC([NH+](C)C)(CC1)CC2	REAL300029815168	0	58	0.0	-70.75	415.76	4.77	-65.98
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC(C)(C)C[N@@H+]1C	REAL300029815176	0	51	0.0	-68.79	391.84	3.79	-65.00
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC(C)(C)C[N@H+]1C	REAL300029815176	1	51	0.0	-68.65	385.13	3.26	-65.39
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCCCC[NH+](C)C	REAL300029815181	0	53	0.0	-70.03	412.09	4.47	-65.56
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+]1CC2CC2C1	REAL300029815193	0	46	0.0	-64.45	360.70	3.41	-61.04
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC1[N@@H+]1CCOC(C)C1	REAL300029815214	0	56	0.0	-69.49	428.92	3.34	-66.15
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC1[N@H+]1CCOC(C)C1	REAL300029815214	1	56	0.0	-62.01	422.20	3.35	-58.66
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@@H+]2CCN1C(C)C2	REAL300029815242	0	51	0.0	-79.45	378.14	0.56	-78.89
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@H+]2CCN1C(C)C2	REAL300029815242	1	51	0.0	-68.23	369.95	0.83	-67.40
CCCC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+](C)C	REAL300029815244	0	50	0.0	-69.10	379.38	3.46	-65.64
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)(C)[NH+](C)C	REAL300029815250	0	47	0.0	-69.72	352.88	2.62	-67.10
CC[NH+](CC)CCSCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029815299	0	54	0.0	-71.12	427.76	4.79	-66.33
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCCC[N@@H+]1C	REAL300029815311	0	48	0.0	-61.18	357.86	2.94	-58.24
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCCC[N@H+]1C	REAL300029815311	1	48	0.0	-66.56	357.80	2.99	-63.57
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1=CC[N@H+](C)CC1	REAL300029815373	0	49	0.0	-66.20	384.34	3.82	-62.38
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1=CC[N@@H+](C)CC1	REAL300029815373	1	49	0.0	-64.53	384.30	3.81	-60.72
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1([NH+]2CCCC2)CC1	REAL300029815386	0	52	0.0	-67.49	392.11	4.28	-63.21
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(C[NH+]2CCCC2)CCCC1	REAL300029815413	0	58	0.0	-61.58	418.75	5.70	-55.88
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)(C)C1CCC[N@H+](C)C1	REAL300029815453	0	57	0.0	-69.29	415.98	4.63	-64.66
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)(C)C1CCC[N@@H+](C)C1	REAL300029815453	1	57	0.0	-69.29	415.98	4.63	-64.66
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=C(CN(C)C)O1	REAL300029815458	0	48	0.0	-79.36	390.49	3.42	-75.94
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=C(C[NH+](C)C)O1	REAL300029815458	1	48	0.0	-79.36	390.49	3.42	-75.94
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C=CC[NH+]1CCCC1	REAL300029815485	0	49	0.0	-68.14	387.48	3.90	-64.24
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[NH+](C2CC2)CC1	REAL300029815517	0	52	0.0	-73.58	395.40	4.46	-69.12
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300029815542	0	48	0.0	-68.43	378.62	3.18	-65.25
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300029815542	1	48	0.0	-68.43	378.62	3.18	-65.25
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[NH+]1CCCC1	REAL300029815548	0	48	0.0	-66.83	372.39	3.15	-63.68
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC(=O)N(C2CN(C)C2)C1	REAL300029815559	0	53	0.0	-69.15	413.88	2.26	-66.89
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC(=O)N(C2C[NH+](C)C2)C1	REAL300029815559	1	53	0.0	-69.15	413.88	2.26	-66.89
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CC(C1)C[N@@H+]2C	REAL300029815621	0	46	0.0	-67.57	358.34	2.70	-64.87
CC1=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C=NN1CC[NH+](C)C	REAL300029815637	0	54	0.0	-77.78	427.00	3.62	-74.16
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+]1CC2CCC1C2	REAL300029815640	0	49	0.0	-66.16	370.20	3.52	-62.64
CC(C)[NH+]1CCC(CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC1	REAL300029815657	0	57	0.0	-61.66	422.73	5.07	-56.59
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C=C1C[NH+]2CCC1CC2	REAL300029815712	0	50	0.0	-65.82	382.14	4.00	-61.82
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1CC2C=CC1C2	REAL300029815725	0	47	0.0	-67.27	364.97	3.47	-63.80
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+]1CC2C=CC1C2	REAL300029815725	1	47	0.0	-65.10	365.28	3.46	-61.64
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+]1CC2C=CC1C2	REAL300029815725	1	47	0.0	-65.10	365.28	3.46	-61.64
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C[NH+](C)C)C1=CC=CC=C1	REAL300029815768	0	54	0.0	-75.65	422.06	5.70	-69.95
CC(C[NH+](C)C)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029815802	0	47	0.0	-65.07	363.44	2.91	-62.16
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1CCCC[N@@H+]1C	REAL300029815914	0	51	0.0	-62.91	376.96	3.53	-59.38
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1CCCC[N@H+]1C	REAL300029815914	1	51	0.0	-69.41	384.48	3.73	-65.68
CC1=C2C=C(C(=O)N[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C)C=CN2C=[NH+]1	REAL300029815937	1	46	0.0	-74.36	378.29	5.69	-68.67
CC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+]1CC(C)C1	REAL300029815938	1	48	0.0	-66.42	375.10	3.29	-63.13
CC1CC[N@@H+]1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029815942	1	45	0.0	-67.58	351.75	2.34	-65.24
CC1CC[N@H+]1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029815942	1	45	0.0	-67.16	351.66	2.43	-64.73
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC(O)C[NH+](C)C	REAL300029815947	0	48	0.0	-71.53	377.67	0.54	-70.99
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@H+](C)CC(C)O1	REAL300029815988	1	49	0.0	-72.36	376.58	2.30	-70.06
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@@H+](C)CC(C)O1	REAL300029815988	1	49	0.0	-71.07	377.03	2.64	-68.43
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[NH+]1CCC(O)CC1	REAL300029816002	0	52	0.0	-70.05	400.33	0.61	-69.44
CCC[N@@H+]1CCCCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029816005	0	54	0.0	-65.19	397.07	4.33	-60.86
CCC[N@H+]1CCCCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029816005	1	54	0.0	-60.98	397.09	4.37	-56.61
CC[NH+]1CCN(CCC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC1	REAL300029816009	0	56	0.0	-70.51	423.84	2.21	-68.30
CCN1CC[NH+](CCC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC1	REAL300029816009	1	56	0.0	-71.77	424.53	2.28	-69.49
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300029816012	0	55	0.0	-65.23	395.63	4.27	-60.96
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300029816012	1	55	0.0	-63.46	399.96	5.01	-58.45
CC(C)C[NH+]1CCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC1	REAL300029816066	0	57	0.0	-75.10	427.06	5.35	-69.75
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1CCC([NH+](C)C)CC1	REAL300029816099	0	56	0.0	-67.17	418.53	2.23	-64.94
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300029816124	0	48	0.0	-62.03	374.71	3.24	-58.79
CC(CC[NH+](C)C)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029816134	0	50	0.0	-72.10	386.08	3.43	-68.67
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300029816172	0	52	0.0	-68.37	396.88	0.78	-67.59
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O	REAL300029816172	1	52	0.0	-65.56	397.24	0.84	-64.72
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(CC1=CC=CC=C1)[NH+](C)C	REAL300029816188	0	54	0.0	-64.42	413.15	5.47	-58.95
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1CC[NH+](C)CC1	REAL300029816190	1	50	0.0	-68.66	384.94	1.13	-67.53
CC[NH+]1CCN(CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC1	REAL300029816203	0	53	0.0	-67.78	402.89	1.75	-66.03
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CSC(N)=[NH2+]	REAL300029816236	0	39	0.0	-68.10	333.59	-1.62	-69.72
CC[N@@H+]1CCOCC1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029816290	0	52	0.0	-68.44	393.43	2.01	-66.43
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(CC[NH+](C)C)CCCC1	REAL300029816312	0	57	0.0	-68.43	420.48	5.26	-63.17
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[NH+]1C(C)CCCC1C	REAL300029816314	0	57	0.0	-63.35	415.45	4.62	-58.73
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC([NH+](C)C)CC1	REAL300029816317	0	54	0.0	-76.54	404.83	4.44	-72.10
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(CC[NH+](C)C)CC1	REAL300029816318	0	51	0.0	-63.90	397.82	3.95	-59.95
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300029816322	0	54	0.0	-49.44	397.48	4.19	-45.25
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1CC=CC[N@@H+]1C	REAL300029816323	0	49	0.0	-60.27	372.25	3.59	-56.68
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1CC=CC[N@H+]1C	REAL300029816323	1	49	0.0	-60.27	372.25	3.59	-56.68
C[C@@H](OCC[NH+](C)C)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029816360	0	51	0.0	-68.97	400.89	3.30	-65.67
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC2CCC(C1)[NH+]2C	REAL300029816404	0	52	0.0	-74.04	386.05	3.77	-70.27
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(C2(O)CC[NH+](C)CC2)CC1	REAL300029816532	0	56	0.0	-66.18	416.72	2.35	-63.83
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(CC[NH+]2CCCCC2)CC1	REAL300029816561	0	58	0.0	-76.64	441.51	5.99	-70.65
CC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+]1CCSCC1	REAL300029816587	1	49	0.0	-66.31	377.89	3.46	-62.85
CCC1C[NH+](CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029816590	1	48	0.0	-70.31	378.64	3.46	-66.85
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[NH+](C2CCOCC2)C1	REAL300029816592	0	53	0.0	-67.30	408.83	2.46	-64.84
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1([NH+]2CCCC2)CCC1	REAL300029816594	0	52	0.0	-69.22	381.98	4.15	-65.07
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@@H]1CCC[N@H+]1C	REAL300029816606	1	45	0.0	-61.63	350.98	2.52	-59.11
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[N@H+]1CCC(F)C1	REAL300029816616	1	48	0.0	-71.49	379.89	3.36	-68.13
COC1C[N@@H+](C)C(C)(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029816627	1	52	0.0	-72.89	392.76	2.14	-70.75
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[NH+]1CCCCCC1	REAL300029816641	0	54	0.0	-72.10	400.12	4.19	-67.91
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+]1CCCCC1	REAL300029816645	0	48	0.0	-64.44	366.91	3.39	-61.05
CC1C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC[N@@H+]1C	REAL300029816655	0	48	0.0	-66.48	367.19	2.83	-63.65
CC1C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC[N@H+]1C	REAL300029816655	1	48	0.0	-62.74	367.06	3.01	-59.73
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCC1CCCC[N@@H+]1C	REAL300029816658	0	54	0.0	-69.99	407.42	4.46	-65.53
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCC1CCCC[N@H+]1C	REAL300029816658	1	54	0.0	-68.40	407.01	4.53	-63.87
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@@H+]2CCOCC12	REAL300029816703	0	50	0.0	-75.78	384.88	1.88	-73.90
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@H+]2CCOCC12	REAL300029816703	1	50	0.0	-61.81	379.73	1.77	-60.04
CC1=[NH+]C=C2C=CC(C(=O)N[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C)=CN21	REAL300029816712	0	46	0.0	-67.87	377.59	4.88	-62.99
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1COCCN1C	REAL300029816735	0	49	0.0	-77.37	376.63	1.40	-75.97
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1COCC[N@@H+]1C	REAL300029816735	1	49	0.0	-69.26	369.16	1.21	-68.05
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1COCC[N@H+]1C	REAL300029816735	1	49	0.0	-77.37	376.63	1.40	-75.97
CC1=C(C)[NH+]=C(CCC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)N1	REAL300029816749	1	49	0.0	-65.54	396.16	2.91	-62.63
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300029816762	0	54	0.0	-73.33	426.59	5.93	-67.40
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCN1CC1=CC=CC=C1	REAL300029816767	0	52	0.0	-67.78	416.74	5.49	-62.29
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300029816767	1	52	0.0	-68.18	416.83	5.57	-62.61
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@H+]1CC1=CC=CC=C1	REAL300029816767	1	52	0.0	-67.78	416.74	5.49	-62.29
CC(C)C[N@@H+]1CCCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029816771	0	57	0.0	-65.73	426.45	5.25	-60.48
CC(C)C[N@H+]1CCCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029816771	1	57	0.0	-70.07	427.50	5.31	-64.76
C[C@@H]1CN(C(=O)C2CCC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029816930	0	45	0.0	-61.26	350.96	2.57	-58.69
C[C@@H]1CN(C(=O)C2CCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029816930	1	45	0.0	-57.99	351.49	2.44	-55.55
C[C@@H]1CN(C(=O)C2C[N@H+](C)CCO2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029816955	1	46	0.0	-73.33	361.18	2.02	-71.31
C[C@@H]1CN(C(=O)C2C[N@@H+](C)CCO2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029816955	1	46	0.0	-70.73	353.94	1.72	-69.01
CC1=[NH+]C=CN1CCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029817128	1	49	0.0	-61.86	399.03	4.54	-57.32
C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029817132	1	55	0.0	-67.11	426.37	3.21	-63.90
C[C@@H]1CN(C(=O)C2=CC=C(C[NH+](C)C)C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029817138	0	51	0.0	-72.34	400.79	4.73	-67.61
C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029817139	1	49	0.0	-64.38	383.28	1.66	-62.72
C[C@@H]1CN(C(=O)C(C)(C2=CC=CC=C2)[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029817161	0	54	0.0	-77.52	394.48	4.87	-72.65
CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029817169	0	59	0.0	-63.25	446.09	5.58	-57.67
CC[N@H+](C)C(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029817170	0	54	0.0	-61.42	417.29	5.60	-55.82
CC[N@@H+](C)C(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029817170	1	54	0.0	-56.66	417.30	5.62	-51.04
C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029817191	0	49	0.0	-56.75	365.64	2.96	-53.79
C[C@@H]1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029817211	1	43	0.0	-66.79	363.36	5.15	-61.64
C[C@@H]1CN(C(=O)C2CCCC([NH+](C)C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029817301	0	54	0.0	-66.03	396.52	4.06	-61.97
C[C@@H]1CN(C(=O)CC2CC[N@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029817308	0	48	0.0	-67.84	375.28	3.32	-64.52
C[C@@H]1CN(C(=O)CC2CC[N@@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029817308	1	48	0.0	-65.57	374.89	3.18	-62.39
C[C@@H]1CN(C(=O)C2=C[NH+]=CC=C2N(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029817322	0	47	0.0	-69.20	378.94	1.58	-67.62
CCC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029817328	0	47	0.0	-56.68	355.06	2.46	-54.22
C[C@@H]1CN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029817338	1	46	0.0	-73.24	385.50	3.33	-69.91
CC1CC2CCC(C(=O)N3C[C@@H](C)[C@@H](NC(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300029817395	0	55	0.0	-60.78	415.10	4.79	-55.99
CC1CC2CCC(C(=O)N3C[C@@H](C)[C@@H](NC(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300029817395	1	55	0.0	-59.01	411.79	4.68	-54.33
C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029817435	0	50	0.0	-65.80	393.37	3.77	-62.03
CC(C)C(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029817462	0	50	0.0	-55.21	370.88	3.05	-52.16
CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029817464	0	50	0.0	-62.88	389.72	3.58	-59.30
CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029817464	1	50	0.0	-63.18	389.72	3.59	-59.59
CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029817471	0	47	0.0	-63.32	368.17	3.15	-60.17
CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029817471	1	47	0.0	-60.22	367.32	2.99	-57.23
C[C@@H]1CN(C(=O)C23CC[N@H+](C2)CCC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029817504	0	49	0.0	-63.86	360.07	2.54	-61.32
C[C@@H]1CN(C(=O)C23CC[N@@H+](C2)CCC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029817504	1	49	0.0	-62.25	361.23	2.48	-59.77
CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029817560	0	56	0.0	-64.42	432.67	5.49	-58.93
CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029817560	1	56	0.0	-61.13	431.81	5.34	-55.79
CC[NH+](CC)C(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300029817572	0	56	0.0	-57.58	396.71	4.02	-53.56
C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029817620	0	51	0.0	-59.77	390.71	4.07	-55.70
C[C@@H]1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029817654	1	46	0.0	-74.07	381.92	2.72	-71.35
C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029817664	0	52	0.0	-70.69	408.03	3.79	-66.90
C[C@@H]1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029817740	0	52	0.0	-60.57	392.52	4.33	-56.24
C[C@@H]1CN(C(=O)C2CC3CCCC[N@H+]3C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029817740	1	52	0.0	-60.87	393.44	4.27	-56.60
C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029817761	0	48	0.0	-58.28	376.48	3.33	-54.95
CC1=[NH+]C=C2CCC(C(=O)N3C[C@@H](C)[C@@H](NC(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300029817762	1	50	0.0	-67.59	395.93	4.24	-63.35
CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029817775	0	54	0.0	-64.61	402.66	4.16	-60.45
CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029817815	0	47	0.0	-62.24	368.20	2.84	-59.40
CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029817815	1	47	0.0	-62.60	368.22	2.84	-59.76
C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029817858	0	54	0.0	-60.56	389.93	4.11	-56.45
C[C@@H]1CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029817861	0	58	0.0	-60.47	430.22	5.36	-55.11
C[C@@H]1CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029817861	1	58	0.0	-64.94	430.01	5.39	-59.55
C[C@@H]1CN(C(=O)C2C[NH+]3CCC2CC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029817879	0	49	0.0	-70.78	366.29	3.17	-67.61
C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029817984	0	48	0.0	-67.82	368.35	2.98	-64.84
CC(C)[C@H](C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029818007	0	50	0.0	-62.54	368.83	3.07	-59.47
C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029818115	0	55	0.0	-76.41	423.52	5.33	-71.08
CC[NH+](CC)CC(F)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029818169	0	50	0.0	-65.76	389.00	3.52	-62.24
C[C@@H]1CN(C(=O)C2=C(C[NH+](C)C)C=CS2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029818170	0	48	0.0	-60.47	388.68	3.94	-56.53
CC(C)C[N@@H+]1CCC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029818220	0	54	0.0	-63.18	409.60	4.54	-58.64
CC(C)C[N@H+]1CCC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029818220	1	54	0.0	-62.36	409.39	4.49	-57.87
C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029818224	0	48	0.0	-55.70	356.27	2.52	-53.18
CCC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029818266	0	53	0.0	-57.39	389.17	3.79	-53.60
CC1CCC[N@H+]1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029818299	0	48	0.0	-58.06	366.81	3.00	-55.06
CC1CCC[N@@H+]1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029818299	1	48	0.0	-59.36	367.63	3.07	-56.29
CC(C)C1=[NH+]C=CN1CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029818412	1	52	0.0	-56.81	413.59	4.78	-52.03
CC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300029818420	0	54	0.0	-57.26	395.76	4.01	-53.25
CC(C)[N@@H+]1CCCCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029818423	0	54	0.0	-56.25	400.25	4.11	-52.14
CC(C)[N@H+]1CCCCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029818423	1	54	0.0	-58.28	400.70	4.19	-54.09
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029818459	0	51	0.0	-60.12	377.97	3.86	-56.26
CC(C)[N@H+]1CCCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029818459	1	51	0.0	-57.88	379.34	4.15	-53.73
C[C@@H]1CN(C(=O)C2CCC[N@@H+]2C2CCOCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029818468	0	56	0.0	-59.87	423.18	3.08	-56.79
C[C@@H]1CN(C(=O)C2CCC[N@H+]2C2CCOCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029818468	1	56	0.0	-60.70	417.27	3.06	-57.64
C[C@@H]1CN(C(=O)C(CN2C=CC=N2)[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029818470	1	51	0.0	-58.25	399.30	2.81	-55.44
CC(C)[N@@H+]1CCCC1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029818477	0	54	0.0	-53.13	399.33	3.81	-49.32
CC(C)[N@H+]1CCCC1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029818477	1	54	0.0	-59.65	399.36	3.82	-55.83
C[C@@H]1CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029818478	0	55	0.0	-57.28	415.76	5.02	-52.26
C[C@@H]1CN(C(=O)C2CCC[N@H+]2C2CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029818478	1	55	0.0	-58.91	413.66	5.02	-53.89
CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029818508	0	50	0.0	-54.25	372.12	3.09	-51.16
CC1CC[N@H+](CC(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029818546	0	48	0.0	-59.02	374.28	3.32	-55.70
CC1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029818546	1	48	0.0	-59.52	373.32	3.29	-56.23
C[C@@H]1CN(C(=O)C2(F)CC[N@@H+](C(C)(C)C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029818547	0	54	0.0	-62.98	406.07	3.80	-59.18
C[C@@H]1CN(C(=O)C2(F)CC[N@H+](C(C)(C)C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029818547	1	54	0.0	-57.89	405.26	3.82	-54.07
CC1=[NH+]C=C2CC(C(=O)N3C[C@@H](C)[C@@H](NC(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300029818549	1	50	0.0	-56.66	395.86	4.21	-52.45
C[C@@H]1CN(C(=O)C2=CC=C(CC[NH+](C)C)C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029818551	0	54	0.0	-71.89	427.41	5.72	-66.17
C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029818553	0	51	0.0	-59.80	393.59	3.89	-55.91
C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029818553	1	51	0.0	-59.65	393.35	3.84	-55.81
C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029818554	0	53	0.0	-59.83	397.93	4.22	-55.61
C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029818554	1	53	0.0	-60.04	397.72	4.09	-55.95
C[C@@H]1CN(C(=O)C[N@H+](C)CCC2=CC=CC=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029818555	0	54	0.0	-64.09	427.22	6.02	-58.07
C[C@@H]1CN(C(=O)C[N@@H+](C)CCC2=CC=CC=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029818555	1	54	0.0	-67.44	428.08	6.17	-61.27
CC[C@@H](C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029818567	0	47	0.0	-60.33	359.85	2.80	-57.53
CC(COCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300029818575	0	55	0.0	-59.48	425.19	4.35	-55.13
C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C2=CC=CC=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029818589	0	55	0.0	-57.08	426.93	5.73	-51.35
C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C2=CC=CC=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029818589	1	55	0.0	-87.36	431.23	5.79	-81.57
C[C@@H]1CN(C(=O)CCN(C)C2=CC=[NH+]C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029818762	0	50	0.0	-56.13	402.48	3.30	-52.83
CC1=[NH+]C=CN1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029818904	1	43	0.0	-60.01	357.54	3.26	-56.75
CC(C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029818906	0	52	0.0	-65.68	396.52	2.17	-63.51
C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029818929	0	54	0.0	-63.19	413.59	4.85	-58.34
C[C@@H]1CN(C(=O)C2=NOC(C[NH+](C)C)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029818955	1	47	0.0	-73.91	384.31	2.87	-71.04
CC1=C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300029818957	0	46	0.0	-57.37	380.15	5.17	-52.20
CC(C)C1=[NH+]C=CN1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029819021	1	49	0.0	-58.03	393.90	4.40	-53.63
C[C@@H]1CN(C(=O)C2CCCC3CCC[N@@H+]32)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029819086	0	52	0.0	-56.33	393.98	4.28	-52.05
C[C@@H]1CN(C(=O)C2CCCC3CCC[N@H+]32)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029819086	1	52	0.0	-60.49	381.32	3.77	-56.72
CC[N@@H+]1CCOC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029819135	1	49	0.0	-53.12	371.65	2.39	-50.73
CC[N@H+]1CCOC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029819135	1	49	0.0	-65.49	379.35	2.68	-62.81
C[C@@H]1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029819229	0	43	0.0	-62.60	363.20	5.13	-57.47
CC1=C[NH+]=CN1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029819234	1	43	0.0	-59.80	357.92	4.00	-55.80
C[C@@H]1CN(C(=O)C2=CN(CC[NH+](C)C)N=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029819240	0	51	0.0	-75.03	406.93	2.78	-72.25
C[C@@H]1CN(C(=O)C2=NN(CC[NH+](C)C)C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029819257	0	51	0.0	-74.66	410.63	3.37	-71.29
C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029819265	0	48	0.0	-64.53	364.47	2.66	-61.87
C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029819265	1	48	0.0	-59.14	370.13	2.81	-56.33
CCC1=[NH+]C=CN1C(C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029819269	1	52	0.0	-59.52	414.79	4.98	-54.54
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029819272	0	51	0.0	-61.35	380.58	3.19	-58.16
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029819272	1	51	0.0	-59.79	386.95	3.46	-56.33
CC1CCC(C)[NH+]1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029819304	0	51	0.0	-60.31	376.57	3.29	-57.02
C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029819315	0	51	0.0	-63.20	396.92	4.12	-59.08
C[C@@H]1CN(C(=O)C2=CC=CC(C[NH+](C)C)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029819316	0	51	0.0	-66.97	402.49	4.68	-62.29
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029819327	0	50	0.0	-80.21	398.43	4.38	-75.83
C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029819329	0	51	0.0	-64.14	392.93	4.14	-60.00
C[C@@H]1CN(C(=O)C2=CC=CC=C2C[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029819334	0	51	0.0	-55.77	400.73	4.84	-50.93
CC[N@@H+]1CCCCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029819346	0	51	0.0	-60.34	378.20	3.52	-56.82
CC[N@H+]1CCCCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029819346	1	51	0.0	-58.10	379.22	3.58	-54.52
CC(C)C(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029819347	0	57	0.0	-58.33	413.93	5.28	-53.05
C[C@@H]1CN(C(=O)C(C2=CC=CC=C2)[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029819351	1	51	0.0	-63.85	399.69	4.82	-59.03
C[C@@H]1CN(C(=O)CN2C=[NH+]C3=C2CCCC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029819361	1	50	0.0	-61.02	400.53	5.79	-55.23
C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029819410	0	57	0.0	-70.72	406.45	4.46	-66.26
C[C@@H]1CN(C(=O)C2=CC=CC=C2CC[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029819411	0	54	0.0	-69.74	422.49	5.52	-64.22
C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029819418	0	57	0.0	-63.51	426.53	5.23	-58.28
C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029819418	1	57	0.0	-62.45	426.53	5.24	-57.21
C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029819422	0	54	0.0	-65.68	392.79	4.13	-61.55
C[C@@H]1CN(C(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029819439	1	52	0.0	-72.04	405.29	2.53	-69.51
C[C@@H]1CN(C(=O)C2=NNC(C3CCC[N@H+]3C)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029819439	1	52	0.0	-71.59	410.93	2.89	-68.70
C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029819714	0	48	0.0	-61.09	375.17	3.72	-57.37
C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029819714	1	48	0.0	-59.66	374.29	3.65	-56.01
CC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300029819756	0	54	0.0	-57.92	396.36	3.91	-54.01
CC[NH+](CC)CC1=CC=C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029819773	0	54	0.0	-68.01	420.99	4.58	-63.43
C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029819778	0	54	0.0	-64.37	419.45	4.97	-59.40
C[C@@H]1CN(C(=O)C[N@H+](C)CC2=CC=CC=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029819781	1	51	0.0	-63.10	404.75	5.19	-57.91
C[C@@H]1CN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029819781	1	51	0.0	-64.49	404.81	5.26	-59.23
C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029819799	0	48	0.0	-67.82	368.35	2.98	-64.84
C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029819885	0	45	0.0	-59.36	348.74	2.42	-56.94
C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029819885	1	45	0.0	-63.91	347.54	2.19	-61.72
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029819908	1	47	0.0	-55.00	373.31	3.32	-51.68
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029819908	1	47	0.0	-57.07	377.84	3.70	-53.37
C[C@@H]1CN(C(=O)CCC2CCC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029819920	0	51	0.0	-67.34	392.41	4.14	-63.20
C[C@@H]1CN(C(=O)CCC2CCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029819920	1	51	0.0	-63.74	389.90	3.65	-60.09
C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029819937	0	52	0.0	-65.92	375.11	3.39	-62.53
C[C@@H]1CN(C(=O)C2CCC3CCCC[N@@H+]32)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029819945	0	52	0.0	-56.03	392.17	4.39	-51.64
C[C@@H]1CN(C(=O)C2CCC3CCCC[N@H+]32)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029819945	1	52	0.0	-60.48	388.44	4.14	-56.34
CCC[N@@H+]1CCCC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029820063	0	54	0.0	-66.24	412.53	4.60	-61.64
CCC[N@H+]1CCCC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029820063	1	54	0.0	-60.98	407.45	4.34	-56.64
C[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820076	0	58	0.0	-58.91	422.03	5.94	-52.97
C[C@@H]1CN(C(=O)C2CCCC[N@H+]2C2CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820076	1	58	0.0	-59.13	417.25	5.24	-53.89
CC(C)[N@@H+]1CCOC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029820089	1	52	0.0	-57.34	388.72	3.00	-54.34
CC(C)[N@H+]1CCOC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029820089	1	52	0.0	-67.46	388.71	2.94	-64.52
C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820113	0	55	0.0	-55.97	402.94	2.23	-53.74
C[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820136	0	48	0.0	-62.21	368.38	3.20	-59.01
C[C@@H]1CN(C(=O)C2CCCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820136	1	48	0.0	-62.65	360.43	2.87	-59.78
CC(C)C[N@@H+]1CCCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029820174	0	54	0.0	-61.72	400.46	4.96	-56.76
CC(C)C[N@H+]1CCCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029820174	1	54	0.0	-60.34	409.67	4.72	-55.62
C[C@@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820197	0	52	0.0	-64.05	402.34	0.84	-63.21
C[C@@H]1CN(C(=O)C=C2CC3CCC(C2)[NH+]3C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820246	0	53	0.0	-65.96	401.34	4.62	-61.34
CC1C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029820268	0	48	0.0	-66.31	369.76	3.22	-63.09
CC1C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029820268	1	48	0.0	-67.19	365.21	3.00	-64.19
C[C@@H]1CN(C(=O)CCC2CCCC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820272	0	54	0.0	-63.53	409.08	4.55	-58.98
C[C@@H]1CN(C(=O)CCC2CCCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820272	1	54	0.0	-65.90	402.02	4.35	-61.55
C[C@@H]1CN(C(=O)C2=CC3=C(CCC3)[NH+]=C2N)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820319	1	48	0.0	-55.06	381.42	2.41	-52.65
C[C@@H]1CN(C(=O)C2CC[N@@H+]2C(C)(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820417	0	51	0.0	-56.82	388.62	3.35	-53.47
C[C@@H]1CN(C(=O)C2CC[N@H+]2C(C)(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820417	1	51	0.0	-58.65	368.16	2.80	-55.85
C[C@@H]1CN(C(=O)C2CCN(C3=CC=[NH+]C=C3)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820439	0	51	0.0	-68.16	400.76	2.08	-66.08
C[C@@H](C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029820445	0	44	0.0	-57.79	344.80	1.98	-55.81
C[C@@H]1CN(C(=O)C2=CC=NC(C[NH+](C)C)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820468	1	50	0.0	-67.60	397.02	2.87	-64.73
C=CCC(C)(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029820474	0	51	0.0	-64.00	371.34	3.35	-60.65
CC[NH+](CC)CCSCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029820513	0	54	0.0	-66.13	430.69	4.95	-61.18
C[C@@H]1CN(C(=O)C2=C(N)C3=CC=CC=C3[NH+]=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820514	1	47	0.0	-54.96	379.89	1.88	-53.08
C[C@@H]1CN(C(=O)CC[NH+]2CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820519	0	48	0.0	-64.34	376.23	3.37	-60.97
C[C@@H]1CN(C(=O)C[N@H+](C)CCO)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820529	1	45	0.0	-59.98	356.17	-0.98	-60.96
C[C@@H]1CN(C(=O)C[N@@H+](C)CCO)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820529	1	45	0.0	-63.78	356.81	-0.85	-64.63
C[C@@H]1CN(C(=O)C2C[N@@H+]3CCN2CCC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820580	0	51	0.0	-60.31	370.55	1.09	-59.22
C[C@@H]1CN(C(=O)C2C[N@H+]3CCN2CCC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820580	1	51	0.0	-73.53	370.93	1.17	-72.36
CC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300029820628	1	49	0.0	-63.05	386.83	3.64	-59.41
C[C@@H]1CN(C(=O)CC2=CC[N@H+](C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820689	0	49	0.0	-64.38	387.25	3.98	-60.40
C[C@@H]1CN(C(=O)CC2=CC[N@@H+](C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820689	1	49	0.0	-63.23	387.26	3.98	-59.25
C[C@@H]1CN(C(=O)C2CC(=O)N(C3C[NH+](C)C3)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820703	1	53	0.0	-68.73	412.91	2.19	-66.54
C[C@@H]1CN(C(=O)C(O)CC[S+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820711	0	47	0.0	-81.75	389.35	1.11	-80.64
C[C@@H]1CN(C(=O)C2(C)CC(O)C[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820745	0	49	0.0	-64.25	370.20	-0.88	-65.13
C[C@@H]1CN(C(=O)C2(C)CC(O)C[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820745	1	49	0.0	-62.10	369.73	-0.72	-62.82
C[C@@H]1CN(C(=O)C2CN(C)CC[N@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820764	0	53	0.0	-64.64	399.18	1.51	-63.13
C[C@@H]1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820764	1	53	0.0	-62.46	400.04	1.62	-60.84
CC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300029820765	0	52	0.0	-58.66	396.96	0.75	-57.91
CC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300029820765	1	52	0.0	-60.92	398.74	0.60	-60.32
C[C@@H]1CN(C(=O)C2=C(N)[NH+]=CC3=C2CCC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820803	0	48	0.0	-63.25	389.07	2.43	-60.82
C[C@@H]1CN(C(=O)CC2(O)CCC[N@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820813	0	52	0.0	-65.10	386.55	2.05	-63.05
C[C@@H]1CN(C(=O)CC2(O)CCC[N@@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820813	1	52	0.0	-64.24	396.38	2.17	-62.07
CC1C[NH+](CC(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029820820	1	45	0.0	-60.90	359.43	2.75	-58.15
CC[N@@H+]1CCCC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029820829	0	51	0.0	-58.16	379.78	3.76	-54.40
CC[N@H+]1CCCC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029820829	1	51	0.0	-60.57	385.95	3.59	-56.98
C[C@@H]1CN(C(=O)CC2=CC=C[NH+]=C2N)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820846	0	44	0.0	-61.23	362.34	1.42	-59.81
C[C@@H]1CN(C(=O)C2CCC[N@@H+]2C2CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820862	0	49	0.0	-54.14	377.06	3.41	-50.73
C[C@@H]1CN(C(=O)C2CCC[N@H+]2C2CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820862	1	49	0.0	-56.24	377.88	3.82	-52.42
C[C@@H]1CN(C(=O)C2CCC2[N@@H+]2CCOC(C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820899	0	56	0.0	-64.83	425.94	3.59	-61.24
C[C@@H]1CN(C(=O)C2CCC2[N@H+]2CCOC(C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820899	1	56	0.0	-57.09	414.90	3.82	-53.27
C[C@@H]1CN(C(=O)C2=CC=C(C[NH+]3CCCC3)O2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820922	0	52	0.0	-68.06	414.96	4.59	-63.47
C[C@@H]1CN(C(=O)C=CC[NH+]2CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820929	0	49	0.0	-66.23	389.09	3.99	-62.24
C[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820964	0	52	0.0	-72.96	401.63	4.65	-68.31
CC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029821027	0	44	0.0	-59.96	345.81	2.25	-57.71
C[C@@H]1CN(C(=O)CN2CC3C=CC2C3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821112	0	47	0.0	-58.37	367.60	3.58	-54.79
C[C@@H]1CN(C(=O)C[N@@H+]2CC3C=CC2C3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821112	1	47	0.0	-56.32	367.73	3.45	-52.87
C[C@@H]1CN(C(=O)C[N@H+]2CC3C=CC2C3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821112	1	47	0.0	-56.32	367.73	3.45	-52.87
CC1=CC=C(NCCC(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)N=C1	REAL300029821139	0	50	0.0	-59.18	406.96	3.02	-56.16
CC1=CC=C(NCCC(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)[NH+]=C1	REAL300029821139	1	50	0.0	-59.18	406.96	3.02	-56.16
C[C@@H]1CN(C(=O)C2(C[NH+]3CCCC3)CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821199	0	58	0.0	-70.01	417.03	5.77	-64.24
C[C@@H]1CN(C(=O)C23CCC[N@@H+]2CCCC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821302	0	52	0.0	-56.69	377.47	3.51	-53.18
C[C@@H]1CN(C(=O)C23CCC[N@H+]2CCCC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821302	1	52	0.0	-56.69	377.47	3.51	-53.18
C[C@@H]1CN(C(=O)C23CCC[N@@H+]2CC=CC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821314	0	50	0.0	-57.08	368.50	3.33	-53.75
C[C@@H]1CN(C(=O)C23CCC[N@H+]2CC=CC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821314	1	50	0.0	-57.08	368.50	3.33	-53.75
CC(OCC[NH+](C)C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029821330	0	51	0.0	-64.50	399.27	3.15	-61.35
C[C@@H]1CN(C(=O)CCOCC[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821344	0	51	0.0	-64.20	405.75	2.51	-61.69
COCCN(C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029821346	0	48	0.0	-63.88	379.06	1.55	-62.33
COCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029821346	1	48	0.0	-59.85	378.42	1.42	-58.43
COCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029821346	1	48	0.0	-59.85	378.42	1.42	-58.43
CC(CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029821355	0	50	0.0	-65.14	382.58	3.44	-61.70
CC[N@H+](CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029821401	0	48	0.0	-61.24	370.22	3.64	-57.60
C[C@@H]1CN(C(=O)C2C[N@@H+]3CCN2C(C)C3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821422	0	51	0.0	-63.09	377.56	0.39	-62.70
C[C@@H]1CN(C(=O)C23CC(C2)C[N@@H+]3C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821465	0	46	0.0	-63.13	356.26	2.46	-60.67
CC1=NC(N)=CC=C1C=CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029821479	0	48	0.0	-62.52	392.15	2.27	-60.25
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029821479	1	48	0.0	-62.52	392.15	2.27	-60.25
CC1=C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C=NN1CC[NH+](C)C	REAL300029821486	0	54	0.0	-74.96	423.76	3.30	-71.66
C[C@@H]1CN(C(=O)C[N@@H+]2CC3CCC2C3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821489	0	49	0.0	-60.53	375.97	3.87	-56.66
C[C@@H]1CN(C(=O)C[N@H+]2CC3CCC2C3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821489	1	49	0.0	-60.53	375.97	3.87	-56.66
CC(C)[NH+]1CCC(CC(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029821510	0	57	0.0	-59.29	425.64	5.18	-54.11
CC(C[NH+](C)C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029821527	0	47	0.0	-62.28	362.20	2.56	-59.72
C[C@@H]1CN(C(=O)C2C[N@H+](C)CC2C(F)(F)F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821546	0	48	0.0	-69.98	375.92	3.93	-66.05
C[C@@H]1CN(C(=O)C2C[N@@H+](C)CC2C(F)(F)F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821546	1	48	0.0	-69.98	375.92	3.93	-66.05
CCN1CCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029821598	0	45	0.0	-62.50	360.53	2.67	-59.83
CC[N@@H+]1CCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029821598	1	45	0.0	-59.82	352.21	2.27	-57.55
CC[N@H+]1CCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029821598	1	45	0.0	-59.82	352.21	2.27	-57.55
CC(C)[N@@H+]1CCCC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029821619	0	54	0.0	-59.63	402.60	4.11	-55.52
CC(C)[N@H+]1CCCC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029821619	1	54	0.0	-59.63	402.60	4.11	-55.52
C[C@@H]1CN(C(=O)C2CCN(C3=NC=CN3C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821621	0	52	0.0	-59.90	408.91	3.97	-55.93
C[C@@H]1CN(C(=O)C2CCN(C3=[NH+]C=CN3C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821621	1	52	0.0	-59.90	408.91	3.97	-55.93
CCC(C)(C)[NH2+]C(C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029821650	0	53	0.0	-59.51	392.11	2.17	-57.34
C#CCN1CCCCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029821715	0	50	0.0	-59.19	386.67	4.18	-55.01
C#CC[N@H+]1CCCCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029821715	1	50	0.0	-62.44	386.27	4.13	-58.31
C#CC[N@@H+]1CCCCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029821715	1	50	0.0	-62.44	386.27	4.13	-58.31
CNC1=NC(C)=CC=C1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029821719	0	47	0.0	-58.06	378.45	2.29	-55.77
CNC1=[NH+]C(C)=CC=C1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029821719	1	47	0.0	-58.06	378.45	2.29	-55.77
CCCC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029821738	0	50	0.0	-62.89	379.65	3.39	-59.50
C[C@@H]1CN(C(=O)C(C)(C)[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821748	0	47	0.0	-59.48	346.23	2.48	-57.00
CC(CC[NH+](C)C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029821779	0	50	0.0	-64.07	383.84	3.19	-60.88
C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821852	0	55	0.0	-60.87	394.10	4.08	-56.79
C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821852	1	55	0.0	-63.19	403.04	5.07	-58.12
C[C@@H]1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821893	0	50	0.0	-51.98	383.30	4.01	-47.97
C[C@@H]1CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821893	1	50	0.0	-58.98	377.66	4.79	-54.19
COCCCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029821950	0	57	0.0	-66.37	444.89	3.45	-62.92
COCCCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029821950	1	57	0.0	-66.66	444.89	3.43	-63.23
C[C@@H]1CN(C(=O)C23CCC([NH+](C)C)(CC2)CC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821956	0	58	0.0	-68.85	408.16	4.29	-64.56
C[C@@H]1CN(C(=O)C2CC(C)(C)C[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821965	0	51	0.0	-61.37	389.54	3.65	-57.72
C[C@@H]1CN(C(=O)C2CC(C)(C)C[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821965	1	51	0.0	-62.09	386.69	3.27	-58.82
C[C@@H]1CN(C(=O)CCCCC[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821971	0	53	0.0	-66.45	414.87	4.56	-61.89
C[C@@H]1CN(C(=O)CC[NH+]2CCC(O)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821977	0	52	0.0	-68.51	404.04	0.83	-67.68
CCC[N@@H+]1CCCCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029821983	0	54	0.0	-62.46	400.25	4.33	-58.13
CCC[N@H+]1CCCCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029821983	1	54	0.0	-56.47	396.07	4.07	-52.40
CC[NH+]1CCN(CCC(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029821993	0	56	0.0	-66.77	425.54	2.14	-64.63
CCN1CC[NH+](CCC(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029821993	1	56	0.0	-62.47	426.62	2.31	-60.16
C[C@@H]1CN(C(=O)CN2CC[NH+](C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821997	1	50	0.0	-65.36	387.94	1.18	-64.18
CC(C)C[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029822155	0	57	0.0	-77.15	425.81	5.17	-71.98
C[C@@H]1CN(C(=O)C2C[N@H+](C)CC(C)O2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822159	1	49	0.0	-73.46	375.45	2.60	-70.86
C[C@@H]1CN(C(=O)C2C[N@@H+](C)CC(C)O2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822159	1	49	0.0	-74.90	374.95	2.22	-72.68
CCC1CCC[N@H+](CC(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029822205	0	54	0.0	-62.29	402.88	4.75	-57.54
CCC1CCC[N@@H+](CC(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029822205	1	54	0.0	-59.45	402.09	4.67	-54.78
C[C@@H]1CN(C(=O)C2=CC=C(C[NH+](C)C)N2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822217	0	49	0.0	-68.21	389.97	3.29	-64.92
C[C@@H]1CN(C(=O)C[NH+]2CC3CC3C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822243	0	46	0.0	-62.69	363.76	3.56	-59.13
C[C@@H]1CN(C(=O)CC2([NH+]3CCCC3)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822268	0	52	0.0	-59.19	393.27	4.43	-54.76
CC([NH2+]C1(CO)CCCC1)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029822294	0	55	0.0	-59.11	406.45	-0.59	-59.70
C[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822335	0	48	0.0	-62.21	368.38	3.20	-59.01
C[C@@H]1CN(C(=O)C2CCCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822335	1	48	0.0	-62.65	360.43	2.87	-59.78
C[C@@H]1CN(C(=O)C2CC[N@@H+]2CC2=CC=CC=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822344	1	52	0.0	-60.60	409.53	5.19	-55.41
C[C@@H]1CN(C(=O)C2CC[N@H+]2CC2=CC=CC=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822344	1	52	0.0	-65.25	420.34	5.71	-59.54
CC(C)C[N@@H+]1CCCC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029822351	0	57	0.0	-64.26	429.37	5.21	-59.05
CC(C)C[N@H+]1CCCC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029822351	1	57	0.0	-58.51	419.31	5.42	-53.09
C[C@@H]1CN(C(=O)CN2CCC([NH+](C)C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822437	0	56	0.0	-66.63	422.67	2.40	-64.23
C[C@@H]1CN(C(=O)C=C2CC[N@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822530	0	46	0.0	-67.16	364.97	3.19	-63.97
C[C@@H]1CN(C(=O)C=C2CC[N@@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822530	1	46	0.0	-66.49	366.08	3.15	-63.34
C[C@@H]1CN(C(=O)CNC2=CC=[NH+]C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822538	0	44	0.0	-64.22	364.59	1.01	-63.21
CC[NH+]1CCN(CC(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029822616	0	53	0.0	-64.26	404.88	1.76	-62.50
C[C@@H]1CN(C(=O)C=C2C[NH+]3CCC2CC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822621	0	50	0.0	-64.07	384.57	4.08	-59.99
C[C@@H]1CN(C(=O)C2([NH+](C)C)CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822681	0	51	0.0	-63.61	362.87	2.87	-60.74
C[C@@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822698	0	52	0.0	-62.28	399.96	0.95	-61.33
C[C@@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822698	1	52	0.0	-58.29	399.11	0.80	-57.49
CCC1C[NH+](CC(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029822706	0	48	0.0	-61.89	380.58	3.47	-58.42
C[C@@H]1CN(C(=O)C2C[NH+](C3CCOCC3)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822710	0	53	0.0	-67.95	411.30	2.65	-65.30
C[C@@H]1CN(C(=O)C2([NH+]3CCCC3)CCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822713	0	52	0.0	-63.07	381.68	4.04	-59.03
C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822731	0	45	0.0	-59.92	347.48	2.22	-57.70
C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822731	1	45	0.0	-60.49	350.99	2.61	-57.88
CC[N@@H+]1CCOCC1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029822776	0	52	0.0	-65.26	391.52	1.91	-63.35
C[C@@H]1CN(C(=O)C2=CC(=O)NC3=C2CCC[NH2+]3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822785	0	49	0.0	-87.21	396.47	1.18	-86.03
C[C@@H]1CN(C(=O)C2C[NH+](C3CCCCC3)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822810	0	55	0.0	-65.39	419.82	4.99	-60.40
COC1C[N@@H+]2CCCC2(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029822832	0	53	0.0	-61.65	397.82	2.15	-59.50
COC1C[N@H+]2CCCC2(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029822832	1	53	0.0	-61.65	397.82	2.15	-59.50
C[C@@H]1CN(C(=O)CCC2=CC=C(N)[NH+]=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822847	0	47	0.0	-62.42	387.95	2.21	-60.21
C[C@@H]1CN(C(=O)CC2=CC3=C[NH+]=CN3C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822855	0	46	0.0	-65.08	382.50	5.81	-59.27
C[C@@H]1CN(C(=O)C2=CC=C3NC(N)=[NH+]C3=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822916	1	45	0.0	-63.90	368.54	2.44	-61.46
C[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822979	0	48	0.0	-62.83	378.41	3.41	-59.42
C[C@@H]1CN(C(=O)C2(CC[NH+](C)C)CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822995	0	57	0.0	-47.54	420.72	4.66	-42.88
C[C@@H]1CN(C(=O)CC[NH+]2C(C)CCCC2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822997	0	57	0.0	-61.50	419.16	4.82	-56.68
C[C@@H]1CN(C(=O)C2CCC([NH+](C)C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823000	0	54	0.0	-68.38	402.62	4.11	-64.27
C[C@@H]1CN(C(=O)C2(CC[NH+](C)C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823001	0	51	0.0	-57.67	398.98	4.09	-53.58
C[C@@H]1CN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823006	0	54	0.0	-69.95	396.48	4.07	-65.88
C[C@@H]1CN(C(=O)CC2CC=CC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823007	0	49	0.0	-64.75	379.00	3.68	-61.07
C[C@@H]1CN(C(=O)CC2CC=CC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823007	1	49	0.0	-64.75	379.00	3.68	-61.07
CC1=CC(C=CC(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CN=C1N	REAL300029823087	0	48	0.0	-63.52	392.36	2.58	-60.94
CC1=CC(C=CC(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C[NH+]=C1N	REAL300029823087	1	48	0.0	-63.52	392.36	2.58	-60.94
C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823104	0	48	0.0	-65.17	383.96	2.73	-62.44
CCCCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029823112	0	56	0.0	-64.02	432.72	5.14	-58.88
CCCCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029823112	1	56	0.0	-64.02	432.72	5.14	-58.88
C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823129	0	52	0.0	-66.47	404.15	3.55	-62.92
C[C@@H]1CN(C(=O)CN2C=CSC2=[NH2+])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823166	0	41	0.0	-55.09	355.17	1.78	-53.31
C[C@@H](OCC[NH+](C)C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029823288	0	51	0.0	-65.40	399.71	3.23	-62.17
C[C@@H]1CN(C(=O)C2(C3(O)CC[NH+](C)CC3)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823293	0	56	0.0	-77.20	415.99	2.12	-75.08
C[C@@H]1CN(C(=O)CC[NH+]2CCCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823386	0	54	0.0	-65.20	402.84	4.36	-60.84
C[C@@H]1CN(C(=O)C[NH+]2CCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823392	0	48	0.0	-59.21	369.84	3.47	-55.74
C[C@@H]1CN(C(=O)C2CCC[N@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823394	0	48	0.0	-68.54	362.73	3.01	-65.53
C[C@@H]1CN(C(=O)C2CCC[N@@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823394	1	48	0.0	-64.66	371.87	3.10	-61.56
C[C@@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823396	0	52	0.0	-64.05	402.34	0.84	-63.21
C[C@@H]1CN(C(=O)C[NH+]2CCCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823402	0	51	0.0	-60.95	379.21	3.68	-57.27
C[C@@H]1CN(C(=O)C[N+]2=CN(C)C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823409	0	43	0.0	-60.51	359.33	5.11	-55.40
C[C@@H]1CN(C(=O)C(C)(C)C2CCC[N@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823432	0	57	0.0	-71.67	411.53	4.25	-67.42
C[C@@H]1CN(C(=O)C(C)(C)C2CCC[N@@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823432	1	57	0.0	-73.47	403.49	3.62	-69.85
C[C@@H]1CN(C(=O)C2=CC=C(C[NH+](C)C)O2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823438	1	48	0.0	-70.37	389.67	3.49	-66.88
C[C@@H]1CN(C(=O)C2=CC=C(C[NH+](C)C)N=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823448	0	50	0.0	-67.98	396.54	3.29	-64.69
C[C@@H]1CN(C(=O)C[NH+]2CCC(O)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823472	1	49	0.0	-66.10	382.09	0.21	-65.89
C[C@@H]1CN(C(=O)C[N@@H+](C)C2CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823480	1	45	0.0	-60.86	358.23	3.13	-57.73
CC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300029823482	1	53	0.0	-64.90	397.82	1.26	-63.64
C[C@@H]1CN(C(=O)CC[N@H+]2CCC(F)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823490	1	48	0.0	-69.39	383.07	3.50	-65.89
COC1C[N@@H+](C)C(C)(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029823509	1	52	0.0	-61.77	390.60	1.38	-60.39
C[C@@H]1CN(C(=O)C2=CC=CC(CC[NH+](C)C)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823532	0	54	0.0	-65.86	424.96	5.52	-60.34
CC(CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029823539	0	50	0.0	-65.20	385.38	3.64	-61.56
C[C@@H]1CN(C(=O)C2CC[N@@H+]3CCOCC23)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823566	0	50	0.0	-62.81	379.27	1.90	-60.91
C[C@@H]1CN(C(=O)C2CC[N@H+]3CCOCC23)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823566	1	50	0.0	-62.51	382.96	1.79	-60.72
CC1=[NH+]C=C2C=CC(C(=O)N3C[C@@H](C)[C@@H](NC(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300029823576	0	46	0.0	-59.16	384.61	4.91	-54.25
C[C@@H]1CN(C(=O)CC2COCCN2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823602	0	49	0.0	-69.22	379.63	1.55	-67.67
C[C@@H]1CN(C(=O)CC2COCC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823602	1	49	0.0	-68.65	379.46	1.60	-67.05
C[C@@H]1CN(C(=O)CC2COCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823602	1	49	0.0	-69.22	379.63	1.55	-67.67
C[C@@H]1CN(C(=O)C(C[NH+](C)C)C2=CC=CC=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823614	0	54	0.0	-67.63	425.01	5.54	-62.09
CC[NH+]1CCN(CC(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029823620	0	53	0.0	-64.26	404.88	1.76	-62.50
CC1=CC(N)=[NH+]C=C1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029823703	1	44	0.0	-65.40	358.23	0.96	-64.44
C[C@@H]1CN(C(=O)CCC2=CC=C(N)[NH+]=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823706	0	47	0.0	-62.42	387.95	2.21	-60.21
C[C@@H]1CN(C(=O)C2(CC[NH+]3CCCCC3)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823739	0	58	0.0	-71.00	441.30	5.88	-65.12
C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(O)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823781	1	49	0.0	-61.94	385.03	0.11	-61.83
C[C@@H]1CN(C(=O)C2=CC=NN2CC[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823792	0	51	0.0	-63.76	402.12	2.89	-60.87
C[C@@H]1CN(C(=O)CC2C[NH+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823835	0	45	0.0	-64.95	360.01	2.52	-62.43
C[C@@H]1CN(C(=O)C2CC[N@@H+]2C2CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823841	0	52	0.0	-59.19	399.82	4.51	-54.68
C[C@@H]1CN(C(=O)C2CC[N@H+]2C2CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823841	1	52	0.0	-61.32	392.87	4.14	-57.18
C[C@@H]1CN(C(=O)CC[N@H+](C)CCO)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823901	0	48	0.0	-63.66	378.57	-0.39	-64.05
C[C@@H]1CN(C(=O)CC[N@@H+](C)CCO)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823901	1	48	0.0	-61.49	378.53	-0.40	-61.89
C[C@@H](C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029823902	0	44	0.0	-57.79	344.80	1.98	-55.81
C[C@@H]1CN(C(=O)CC2CCCC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823930	0	51	0.0	-59.77	380.68	3.77	-56.00
C[C@@H]1CN(C(=O)CC2CCCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823930	1	51	0.0	-66.22	388.06	3.95	-62.27
CC1=C2C=C(C(=O)N3C[C@@H](C)[C@@H](NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029823965	1	46	0.0	-66.39	385.62	5.66	-60.73
CC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300029823966	0	48	0.0	-58.55	372.79	3.04	-55.51
CC1CC[N@@H+]1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029823972	1	45	0.0	-60.71	359.47	2.75	-57.96
CC1CC[N@H+]1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029823972	1	45	0.0	-61.15	355.15	2.63	-58.52
C[C@@H]1CN(C(=O)C=CC[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823993	0	45	0.0	-65.58	364.49	2.89	-62.69
C[C@@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824011	1	48	0.0	-63.03	379.43	3.28	-59.75
C[C@@H]1CN(C(=O)CCCC[NH+]2CCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824026	0	57	0.0	-64.30	435.09	5.64	-58.66
CC1=C(C)[NH+]=C(CCC(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029824043	1	49	0.0	-57.14	398.36	2.90	-54.24
C[C@@H]1CN(C(=O)C2=CC3=C(C[N@H+](C)CC3)S2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824044	1	49	0.0	-81.43	397.31	4.43	-77.00
C[C@@H]1CN(C(=O)C2=CC3=C(C[N@@H+](C)CC3)S2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824044	1	49	0.0	-81.19	397.26	4.39	-76.80
C[C@@H]1CN(C(=O)C2(C3CC[NH+](C)CC3)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824058	0	55	0.0	-73.53	413.63	4.98	-68.55
CC1=C2C=C(C(=O)N3C[C@@H](C)[C@@H](NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029824069	1	46	0.0	-66.39	385.62	5.66	-60.73
C[C@@H]1CN(C(=O)CSCC[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824085	0	48	0.0	-68.63	394.99	3.59	-65.04
CC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300029824107	0	54	0.0	-62.32	423.06	5.63	-56.69
CC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300029824107	1	54	0.0	-57.16	421.67	5.56	-51.60
C[C@@H]1CN(C(=O)C2=CC3=C(CCCC3)[NH+]=C2N)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824111	1	51	0.0	-54.81	398.53	2.95	-51.86
C[C@@H]1CN(C(=O)C[N@@H+]2CCCC2CO)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824120	0	49	0.0	-61.80	382.91	0.25	-61.55
C[C@@H]1CN(C(=O)C[N@H+]2CCCC2CO)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824120	1	49	0.0	-58.91	374.88	0.25	-58.66
CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029824123	0	47	0.0	-61.59	360.21	2.82	-58.77
C[C@@H]1CN(C(=O)C[N@H+](C)C2CCSC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824140	0	49	0.0	-66.96	388.26	3.92	-63.04
C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCSC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824140	1	49	0.0	-67.68	388.27	3.92	-63.76
C[C@@H]1CN(C(=O)C[NH+]2CCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824142	1	42	0.0	-61.66	338.26	2.08	-59.58
CC[NH+](CC)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029824210	0	50	0.0	-61.25	381.59	3.25	-58.00
C[C@@H]1CN(C(=O)C[NH+]2CCC(C(N)=O)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824236	0	52	0.0	-67.16	405.75	0.13	-67.03
C[C@@H]1CN(C(=O)C2=CC(C[NH+](C)C)=CN2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824300	0	49	0.0	-69.52	389.74	3.10	-66.42
CC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300029824326	0	52	0.0	-62.41	397.66	0.54	-61.87
C[C@@H]1CN(C(=O)C2CC3COCC[N@@H+]3C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824335	0	50	0.0	-60.22	382.28	1.86	-58.36
C[C@@H]1CN(C(=O)C2CC3COCC[N@H+]3C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824335	1	50	0.0	-63.58	382.66	1.86	-61.72
CC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029824357	1	45	0.0	-58.50	351.88	2.43	-56.07
CCC(CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029824371	0	53	0.0	-68.60	403.48	4.23	-64.37
C[C@@H]1CN(C(=O)C=CC2=CC=C(N)[NH+]=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824380	0	45	0.0	-64.39	374.53	1.81	-62.58
C[C@@H]1CN(C(=O)C(C)(C)C[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824381	0	50	0.0	-59.15	365.84	2.83	-56.32
C[C@@H]1CN(C(=O)CC(C2=CC=CC=C2)[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824428	0	54	0.0	-68.82	418.74	5.77	-63.05
C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824471	0	48	0.0	-61.54	369.18	3.29	-58.25
C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824471	1	48	0.0	-65.28	361.36	2.93	-62.35
C[C@@H]1CN(C(=O)C2C[N@@H+]3CCN2CC3C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824489	0	51	0.0	-69.09	377.51	0.30	-68.79
C[C@@H]1CN(C(=O)C2C[N@H+]3CCN2CC3C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824489	1	51	0.0	-61.64	377.40	0.38	-61.26
C[C@@H]1CN(C(=O)CC(O)C[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824525	0	48	0.0	-69.60	381.47	0.80	-68.80
C[C@@H]1CN(C(=O)C2CC3CCC(C2)[NH+]3C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824528	0	52	0.0	-64.34	363.66	3.54	-60.80
C#CC1(O)CC[NH+](C(C)C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029824570	0	54	0.0	-61.96	413.06	1.29	-60.67
C=CCC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029824585	0	48	0.0	-55.32	369.91	2.98	-52.34
C[C@@H]1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824601	0	52	0.0	-60.57	392.52	4.33	-56.24
C[C@@H]1CN(C(=O)C2CC3CCCC[N@H+]3C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824601	1	52	0.0	-60.87	393.44	4.27	-56.60
C[C@@H]1CN(C(=O)C2(C)CC[NH+](C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824619	0	51	0.0	-67.63	375.74	3.25	-64.38
C[C@@H]1CN(C(=O)CC2(O)CC[NH+](C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824625	0	52	0.0	-68.53	399.44	2.03	-66.50
COCC[N@@H+]1CCCC1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029824644	0	55	0.0	-55.96	418.73	3.59	-52.37
COCC[N@H+]1CCCC1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029824644	1	55	0.0	-63.09	420.79	2.75	-60.34
C[C@@H]1CN(C(=O)CC2CC3CCC(C2)[NH+]3C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824660	0	55	0.0	-59.84	406.68	4.57	-55.27
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=NN1CC[NH+](C)C	REAL300029824705	0	51	0.0	-67.42	404.97	2.98	-64.44
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC2=C(C[N@H+](C)CC2)S1	REAL300029824747	1	49	0.0	-77.10	399.26	4.55	-72.55
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC2=C(C[N@@H+](C)CC2)S1	REAL300029824747	1	49	0.0	-80.26	400.11	4.61	-75.65
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(C2CC[NH+](C)CC2)CC1	REAL300029824759	0	55	0.0	-65.79	413.33	5.31	-60.48
CC1=C2C=C(C(=O)N[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C)C=CN2C=[NH+]1	REAL300029824772	1	46	0.0	-74.36	378.29	5.69	-68.67
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CSCC[NH+](C)C	REAL300029824787	0	48	0.0	-73.54	392.06	3.43	-70.11
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC2COCC[N@@H+]2C1	REAL300029824799	0	50	0.0	-67.65	383.97	1.86	-65.79
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC2COCC[N@H+]2C1	REAL300029824799	1	50	0.0	-72.28	384.66	1.90	-70.38
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1CCC[N@@H+]1C	REAL300029824964	0	54	0.0	-70.38	407.95	4.50	-65.88
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1CCC[N@H+]1C	REAL300029824964	1	54	0.0	-73.14	401.89	4.16	-68.98
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1C[N@H+](C)CCO1	REAL300029824988	1	55	0.0	-78.38	411.95	3.91	-74.47
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1C[N@@H+](C)CCO1	REAL300029824988	1	55	0.0	-78.10	411.56	3.81	-74.29
CC(C)[N@H+]1CCCC1C(=O)NC(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029825138	0	60	0.0	-68.87	440.41	5.62	-63.25
CC(C)[N@@H+]1CCCC1C(=O)NC(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029825138	1	60	0.0	-69.15	440.39	5.61	-63.54
CC1=[NH+]C=CN1CC(=O)NC(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029825168	1	52	0.0	-70.39	410.82	5.11	-65.28
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1C[NH+]2CCC1CC2	REAL300029825190	0	58	0.0	-76.51	420.34	5.06	-71.45
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300029825223	0	57	0.0	-76.42	417.92	4.48	-71.94
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300029825223	1	57	0.0	-74.44	423.92	4.85	-69.59
CC[C@@H]1[C@@H](C(=O)NC(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300029825225	0	60	0.0	-74.14	438.44	5.31	-68.83
CC[C@@H]1[C@@H](C(=O)NC(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300029825225	1	60	0.0	-72.54	443.10	5.20	-67.34
CC[N@@H+]1CCOC(C(=O)NC(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029825231	1	58	0.0	-82.43	436.90	4.72	-77.71
CC[N@H+]1CCOC(C(=O)NC(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029825231	1	58	0.0	-77.22	429.80	4.52	-72.70
CC[NH+](CC)CC(F)C(=O)NC(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029825257	0	59	0.0	-74.38	440.76	5.22	-69.16
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C[NH+]1C(C)CCC1C	REAL300029825290	0	60	0.0	-69.77	439.18	5.49	-64.28
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CCC[NH+]1CCCC1	REAL300029825293	0	60	0.0	-73.72	451.17	6.03	-67.69
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CC[NH+]1CCCCC1	REAL300029825296	0	60	0.0	-74.11	445.23	6.02	-68.09
CC[N@@H+]1CCCCC1C(=O)NC(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029825299	0	60	0.0	-69.60	431.50	5.69	-63.91
CC[N@H+]1CCCCC1C(=O)NC(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029825299	1	60	0.0	-69.53	440.86	5.80	-63.73
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1([NH+](C)C)CCC1	REAL300029825309	0	57	0.0	-80.04	414.81	4.61	-75.43
CC(C)[C@@H](C(=O)NC(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029825315	0	59	0.0	-70.92	427.40	5.08	-65.84
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C[N@H+](C)C1CCC1	REAL300029825339	0	57	0.0	-71.84	427.81	5.59	-66.25
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C[N@@H+](C)C1CCC1	REAL300029825339	1	57	0.0	-71.77	427.91	5.58	-66.19
C#CC[N@H+]1CCC[C@H]1C(=O)NC(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029825404	1	56	0.0	-71.65	427.93	5.26	-66.39
C#CC[N@@H+]1CCC[C@H]1C(=O)NC(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029825404	1	56	0.0	-71.17	434.24	5.89	-65.28
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CCC1CCC[N@@H+]1C	REAL300029825409	0	60	0.0	-71.90	443.67	5.62	-66.28
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CCC1CCC[N@H+]1C	REAL300029825409	1	60	0.0	-75.27	449.10	6.10	-69.17
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1CC[NH+](C)CC1	REAL300029825425	0	57	0.0	-77.11	426.29	5.27	-71.84
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1CCCC[N@@H+]1C	REAL300029825459	0	57	0.0	-70.19	423.36	5.09	-65.10
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1CCCC[N@H+]1C	REAL300029825459	1	57	0.0	-69.84	423.12	5.11	-64.73
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300029825520	0	52	0.0	-74.66	411.50	7.03	-67.63
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CC[NH+]1CCOCC1	REAL300029825526	1	58	0.0	-78.34	436.64	3.53	-74.81
CC1=C[NH+]=CN1CC(=O)NC(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029825539	1	52	0.0	-72.56	410.40	5.91	-66.65
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C12CCC[NH+]1CCC2	REAL300029825558	0	58	0.0	-75.50	425.87	5.50	-70.00
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CC1CC[N@H+](C)C1	REAL300029825567	0	57	0.0	-75.61	427.79	5.10	-70.51
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CC1CC[N@@H+](C)C1	REAL300029825567	1	57	0.0	-76.57	427.77	5.10	-71.47
CCC(C(=O)NC(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029825574	0	56	0.0	-70.72	411.77	4.55	-66.17
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300029825601	1	52	0.0	-79.82	411.77	7.04	-72.78
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CCCC[NH+](C)C	REAL300029825629	0	59	0.0	-75.04	446.76	5.63	-69.41
CC(C)C(C(=O)NC(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029825641	0	59	0.0	-71.67	425.23	5.48	-66.19
CCC[N@H+](C)CCC(=O)NC(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029825642	0	59	0.0	-75.23	443.28	5.56	-69.67
CCC[N@@H+](C)CCC(=O)NC(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029825642	1	59	0.0	-75.91	442.93	5.46	-70.45
CCC[N@H+](C)CC(=O)NC(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029825645	0	56	0.0	-74.11	420.62	4.91	-69.20
CCC[N@@H+](C)CC(=O)NC(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029825645	1	56	0.0	-73.79	420.92	5.03	-68.76
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C12CC[N@H+](C1)CCC2	REAL300029825659	0	58	0.0	-74.58	422.81	4.75	-69.83
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300029825659	1	58	0.0	-80.65	422.48	4.94	-75.71
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)[C@H]1CCC[N@@H+]1C	REAL300029825685	0	54	0.0	-70.58	407.70	4.59	-65.99
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)[C@H]1CCC[N@H+]1C	REAL300029825685	1	54	0.0	-73.00	401.49	4.06	-68.94
CC[NH+](CC)CC(=O)NC(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029825718	0	56	0.0	-72.21	417.08	4.84	-67.37
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C[NH+]1CCC(C)CC1	REAL300029825778	0	60	0.0	-74.44	444.01	5.98	-68.46
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1(C[NH+](C)C)CC1	REAL300029825798	0	57	0.0	-76.07	433.42	5.23	-70.84
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1CC[NH+](C)CC1	REAL300029825850	0	57	0.0	-77.11	426.29	5.27	-71.84
CC(C)[C@H](C(=O)NC(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029825866	0	59	0.0	-71.35	431.11	5.71	-65.64
CCC(C(=O)NC(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](CC)CC	REAL300029825894	0	62	0.0	-67.51	446.02	5.95	-61.56
CC[N@H+](C)CCC(=O)NC(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029825927	0	56	0.0	-74.48	421.78	4.81	-69.67
CC[N@@H+](C)CCC(=O)NC(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029825927	1	56	0.0	-75.21	421.43	4.72	-70.49
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C[N@@H+]1CCCC1C	REAL300029825953	0	57	0.0	-71.43	426.61	5.34	-66.09
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C[N@H+]1CCCC1C	REAL300029825953	1	57	0.0	-70.25	420.39	5.00	-65.25
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C[N@@H+]1CCC(C)C1	REAL300029825954	0	57	0.0	-73.15	427.05	5.37	-67.78
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C[N@H+]1CCC(C)C1	REAL300029825954	1	57	0.0	-73.09	427.49	5.19	-67.90
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C[N@@H+]1CCC(C)(C)C1	REAL300029825958	0	60	0.0	-73.28	446.95	5.86	-67.42
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C[N@H+]1CCC(C)(C)C1	REAL300029825958	1	60	0.0	-73.35	446.19	5.80	-67.55
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C[N@H+](C)CC(C)(C)C	REAL300029825959	0	62	0.0	-73.70	451.40	6.05	-67.65
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C[N@@H+](C)CC(C)(C)C	REAL300029825959	1	62	0.0	-74.01	449.30	5.92	-68.09
CC[C@@H](C(=O)NC(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029825967	0	56	0.0	-70.28	411.18	4.55	-65.73
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C[NH+](C)C	REAL300029826063	0	50	0.0	-74.32	381.39	3.49	-70.83
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C[NH+]1CCCCCC1	REAL300029826066	0	60	0.0	-73.60	432.47	5.55	-68.05
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C[N+]1=CN(C)C=C1	REAL300029826069	0	52	0.0	-70.85	412.57	7.03	-63.82
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1CCC[N@H+](C)C1	REAL300029826073	0	57	0.0	-74.09	426.32	5.21	-68.88
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1CCC[N@@H+](C)C1	REAL300029826073	1	57	0.0	-67.46	420.04	5.46	-62.00
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1CCC[N@@H+]1C1CC1	REAL300029826078	0	58	0.0	-75.04	426.44	6.20	-68.84
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1CCC[N@H+]1C1CC1	REAL300029826078	1	58	0.0	-72.37	426.23	5.27	-67.10
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C(C)[NH+]1CCC1	REAL300029826093	1	54	0.0	-71.31	410.90	4.51	-66.80
CCC(CC(=O)NC(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300029826097	0	62	0.0	-69.60	456.54	6.09	-63.51
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C(C)(C)C[NH+](C)C	REAL300029826102	0	59	0.0	-69.66	428.23	5.18	-64.48
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C[NH+]1CCC(O)CC1	REAL300029826115	1	58	0.0	-78.92	434.15	2.03	-76.89
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C[N@H+](C)C1CC1	REAL300029826116	0	54	0.0	-71.39	411.09	5.02	-66.37
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C[N@@H+](C)C1CC1	REAL300029826116	1	54	0.0	-71.30	410.74	4.93	-66.37
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CC1C[NH+](C)C1	REAL300029826131	0	54	0.0	-74.52	412.81	4.35	-70.17
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300029826142	0	60	0.0	-70.92	443.09	5.25	-65.67
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1CC[N@H+]1C(C)(C)C	REAL300029826142	1	60	0.0	-72.35	420.29	5.02	-67.33
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)[C@H](C)[NH+](C)C	REAL300029826153	0	53	0.0	-72.28	399.04	3.97	-68.31
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CN1C=CSC1=[NH2+]	REAL300029826210	0	50	0.0	-70.24	408.46	3.67	-66.57
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CC[N@H+](C)CCO	REAL300029826216	0	57	0.0	-74.63	431.78	1.51	-73.12
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CC[N@@H+](C)CCO	REAL300029826216	1	57	0.0	-74.10	432.20	1.54	-72.56
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)[C@H](C)[NH+](C)C	REAL300029826217	0	53	0.0	-72.28	399.04	3.97	-68.31
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)[C@H]1CCCC[N@@H+]1C	REAL300029826221	0	57	0.0	-69.93	424.01	5.19	-64.74
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)[C@H]1CCCC[N@H+]1C	REAL300029826221	1	57	0.0	-70.40	414.71	4.97	-65.43
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C[NH+]1CCC1	REAL300029826271	1	51	0.0	-73.78	391.79	4.03	-69.75
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C=C1CC[N@H+](C)C1	REAL300029826288	0	55	0.0	-76.16	419.22	5.10	-71.06
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C=C1CC[N@@H+](C)C1	REAL300029826288	1	55	0.0	-76.07	419.22	5.09	-70.98
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)COCC[NH+](C)C	REAL300029826309	0	57	0.0	-73.15	437.20	4.56	-68.59
C=CCC(C)(C(=O)NC(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029826322	0	60	0.0	-67.69	434.77	5.49	-62.20
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1(C)CC(O)C[N@@H+]1C	REAL300029826343	0	58	0.0	-75.72	427.15	1.61	-74.11
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CN1CC(C)C1	REAL300029826361	0	54	0.0	-73.93	412.60	4.56	-69.37
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C[NH+]1CC(C)C1	REAL300029826361	1	54	0.0	-73.93	412.60	4.56	-69.37
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CN(C)CCO	REAL300029826379	0	54	0.0	-74.46	409.48	0.93	-73.53
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C[N@H+](C)CCO	REAL300029826379	1	54	0.0	-74.20	409.48	0.94	-73.26
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C[N@@H+](C)CCO	REAL300029826379	1	54	0.0	-74.20	409.48	0.94	-73.26
CC[N@@H+]1CCCC(C(=O)NC(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029826399	0	60	0.0	-66.82	437.22	6.02	-60.80
CC[N@H+]1CCCC(C(=O)NC(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029826399	1	60	0.0	-66.82	437.22	6.02	-60.80
CC(CC(=O)NC(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300029826401	0	59	0.0	-74.37	438.58	5.49	-68.88
CC[N@H+](C)CC(=O)NC(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029826406	0	53	0.0	-73.64	399.06	4.17	-69.47
CC[N@H+](CC(=O)NC(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029826438	0	57	0.0	-71.04	427.28	5.52	-65.52
CC[NH+](CC)CCC(=O)NC(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029826448	0	59	0.0	-73.65	438.75	5.41	-68.24
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CN1CC(C)(C)C1	REAL300029826465	0	57	0.0	-74.00	432.17	5.19	-68.81
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C[NH+]1CC(C)(C)C1	REAL300029826465	1	57	0.0	-74.00	432.17	5.19	-68.81
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C[N@@H+]1CCC(C)(O)C1	REAL300029826483	0	58	0.0	-72.77	437.73	2.04	-70.73
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C=CC[NH+](C)C	REAL300029826486	0	54	0.0	-76.76	418.62	4.76	-72.00
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C(C)OCC[NH+](C)C	REAL300029826495	0	60	0.0	-73.37	457.06	5.24	-68.13
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CCOCC[NH+](C)C	REAL300029826501	0	60	0.0	-72.66	458.15	4.29	-68.37
COCCN(C)CC(=O)NC(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029826502	0	57	0.0	-74.07	431.73	3.34	-70.73
COCC[N@H+](C)CC(=O)NC(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029826502	1	57	0.0	-74.65	431.73	3.33	-71.32
COCC[N@@H+](C)CC(=O)NC(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029826502	1	57	0.0	-74.65	431.73	3.33	-71.32
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1([NH+](C)C)CCCC1	REAL300029826522	0	60	0.0	-77.11	429.69	5.89	-71.22
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CCC(C)[NH+](C)C	REAL300029826524	0	59	0.0	-72.59	438.76	5.22	-67.37
CCN1CCC1C(=O)NC(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029826530	0	54	0.0	-73.37	413.12	4.46	-68.91
CC[N@@H+]1CCC1C(=O)NC(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029826530	1	54	0.0	-72.02	405.94	4.11	-67.91
CC[N@H+]1CCC1C(=O)NC(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029826530	1	54	0.0	-72.02	405.94	4.11	-67.91
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C[N@@H+]1CCCC1CO	REAL300029826542	0	58	0.0	-73.43	431.00	1.54	-71.89
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1(C)CC[NH+](C)CC1	REAL300029826563	0	60	0.0	-70.91	438.59	5.53	-65.38
C=CCC(C(=O)NC(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029826581	0	57	0.0	-70.26	424.81	5.02	-65.24
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1CC(C)(C)C[N@@H+]1C	REAL300029826588	0	60	0.0	-72.57	441.28	5.26	-67.31
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1CC(C)(C)C[N@H+]1C	REAL300029826588	1	60	0.0	-72.57	441.28	5.26	-67.31
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CCCCC[NH+](C)C	REAL300029826590	0	62	0.0	-74.17	468.25	6.40	-67.77
CCCC(C(=O)NC(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029826610	0	59	0.0	-71.55	433.27	5.33	-66.22
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C(C)(C)[NH+](C)C	REAL300029826613	0	56	0.0	-78.31	408.25	4.44	-73.87
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1CCCC[N@@H+]1C	REAL300029826638	0	57	0.0	-69.84	423.12	5.11	-64.73
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CC1=CC[N@H+](C)CC1	REAL300029826661	0	58	0.0	-70.30	440.82	5.93	-64.37
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CC1=CC[N@@H+](C)CC1	REAL300029826661	1	58	0.0	-70.30	440.82	5.93	-64.37
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C=CC[NH+]1CCCC1	REAL300029826695	0	58	0.0	-75.49	443.99	6.04	-69.45
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CC[NH+]1CCCC1	REAL300029826727	0	57	0.0	-73.91	430.01	5.33	-68.58
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C12CC(C1)C[N@@H+]2C	REAL300029826754	0	55	0.0	-74.18	411.48	4.25	-69.93
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C[N@@H+]1CC2CCC1C2	REAL300029826761	0	58	0.0	-72.19	428.25	5.65	-66.54
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C[N@H+]1CC2CCC1C2	REAL300029826761	1	58	0.0	-72.19	428.25	5.65	-66.54
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CN1CC2C=CC1C2	REAL300029826799	0	56	0.0	-70.30	420.69	5.49	-64.81
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C[N@@H+]1CC2C=CC1C2	REAL300029826799	1	56	0.0	-72.45	420.37	5.50	-66.95
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C[N@H+]1CC2C=CC1C2	REAL300029826799	1	56	0.0	-72.45	420.37	5.50	-66.95
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C(C)C[NH+](C)C	REAL300029826831	0	56	0.0	-69.03	419.04	4.88	-64.15
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CC1CCCC[N@@H+]1C	REAL300029826875	0	60	0.0	-76.58	440.42	5.75	-70.83
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CC1CCCC[N@H+]1C	REAL300029826875	1	60	0.0	-75.91	440.35	5.77	-70.14
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C(C)[NH+]1CC(C)C1	REAL300029826885	0	57	0.0	-71.26	430.56	5.21	-66.05
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C[N@@H+]1CCC1C	REAL300029826887	1	54	0.0	-72.66	412.50	4.66	-68.00
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C[N@H+]1CCC1C	REAL300029826887	1	54	0.0	-71.26	407.48	4.43	-66.83
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CC(O)C[NH+](C)C	REAL300029826890	0	57	0.0	-77.65	433.81	2.52	-75.13
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1C[N@H+](C)CC(C)O1	REAL300029826910	1	58	0.0	-84.83	440.31	4.81	-80.02
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1C[N@@H+](C)CC(C)O1	REAL300029826910	1	58	0.0	-83.24	433.54	4.79	-78.45
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300029826952	0	57	0.0	-74.07	431.29	5.34	-68.73
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C(C)CC[NH+](C)C	REAL300029826957	0	59	0.0	-73.93	441.44	5.39	-68.54
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CN1CC[NH+](C)CC1	REAL300029826974	1	59	0.0	-73.42	440.37	3.02	-70.40
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CSC(N)=[NH2+]	REAL300029826996	0	48	0.0	-75.24	389.92	0.36	-74.88
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1(CC[NH+](C)C)CC1	REAL300029827024	0	60	0.0	-81.20	455.67	6.04	-75.16
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CC1CC=CC[N@@H+]1C	REAL300029827025	0	58	0.0	-67.87	427.88	5.60	-62.27
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CC1CC=CC[N@H+]1C	REAL300029827025	1	58	0.0	-76.43	433.09	5.66	-70.77
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)[C@@H](C)OCC[NH+](C)C	REAL300029827037	0	60	0.0	-71.71	457.33	5.35	-66.36
CCC1CN(CC(=O)NC(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029827115	0	57	0.0	-74.54	434.34	5.46	-69.08
CCC1C[NH+](CC(=O)NC(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029827115	1	57	0.0	-74.54	434.34	5.46	-69.08
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)[C@@H]1CCC[N@@H+]1C	REAL300029827120	0	54	0.0	-70.77	407.31	4.57	-66.20
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CC[N@@H+]1CCC(F)C1	REAL300029827126	0	57	0.0	-80.61	434.56	5.29	-75.32
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1CC[N@H+](C)C1C	REAL300029827145	0	57	0.0	-73.64	421.87	4.72	-68.92
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1CC[N@@H+](C)C1C	REAL300029827145	1	57	0.0	-73.64	421.87	4.72	-68.92
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CC1COCCN1C	REAL300029827174	0	58	0.0	-70.70	424.83	3.29	-67.41
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CC1COCC[N@@H+]1C	REAL300029827174	1	58	0.0	-70.26	424.83	3.29	-66.97
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CC1COCC[N@H+]1C	REAL300029827174	1	58	0.0	-70.26	424.83	3.29	-66.97
CC(CC1CCN(C(=O)C2CCC[N@@H+]2C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029827344	0	54	0.0	-72.04	403.30	4.29	-67.75
CC(CC1CCN(C(=O)C2CCC[N@H+]2C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029827344	1	54	0.0	-72.04	403.30	4.29	-67.75
CC(CC1CCN(C(=O)C2CN(C)CCO2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029827370	0	55	0.0	-65.50	410.50	3.83	-61.67
CC(CC1CCN(C(=O)C2C[N@H+](C)CCO2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029827370	1	55	0.0	-74.00	417.42	3.99	-70.01
CC(CC1CCN(C(=O)C2C[N@@H+](C)CCO2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029827370	1	55	0.0	-74.00	417.42	3.99	-70.01
CC(CC1CCN(C(=O)CCN2CCOCC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029827521	0	58	0.0	-71.85	439.87	3.81	-68.04
CC(CC1CCN(C(=O)CC[NH+]2CCOCC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029827521	1	58	0.0	-71.85	439.87	3.81	-68.04
CC(CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029827531	0	58	0.0	-66.78	422.32	5.12	-61.66
CC(CC1CCN(C(=O)C2=CC3=CN=CN3C=C2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029827537	0	52	0.0	-71.83	419.18	7.12	-64.71
CC(CC1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029827537	1	52	0.0	-71.83	419.18	7.12	-64.71
CC(CC1CCN(C(=O)CC2CC[N@H+](C)C2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029827563	0	57	0.0	-76.28	431.42	5.38	-70.90
CC(CC1CCN(C(=O)CC2CC[N@@H+](C)C2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029827563	1	57	0.0	-76.28	431.42	5.38	-70.90
CCC(C(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029827570	0	56	0.0	-63.14	412.66	4.67	-58.47
CC(CC1CCN(C(=O)CCCC[NH+](C)C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029827605	0	59	0.0	-76.61	449.96	5.92	-70.69
CC(C)C(C(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029827619	0	59	0.0	-72.02	426.45	5.27	-66.75
CCC[N@H+](C)CCC(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029827620	0	59	0.0	-75.45	446.18	5.75	-69.70
CCC[N@@H+](C)CCC(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029827620	1	59	0.0	-75.45	446.18	5.75	-69.70
CCC[N@H+](C)CC(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029827623	0	56	0.0	-66.71	423.83	5.17	-61.54
CCC[N@@H+](C)CC(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029827623	1	56	0.0	-66.71	423.83	5.17	-61.54
CC(CC1CCN(C(=O)C23CC[N@H+](C2)CCC3)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029827637	0	58	0.0	-80.21	416.22	4.55	-75.66
CC(CC1CCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029827637	1	58	0.0	-80.21	416.22	4.55	-75.66
CC(CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029827670	0	60	0.0	-72.12	447.16	6.23	-65.89
CC(CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029827709	0	57	0.0	-68.93	432.86	5.35	-63.58
CC[N@H+](C)CCC(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029827728	0	56	0.0	-74.75	424.68	5.02	-69.73
CC[N@@H+](C)CCC(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029827728	1	56	0.0	-74.75	424.68	5.02	-69.73
CC(CC1CCN(C(=O)C2C[NH+]3CCC2CC3)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029827741	0	58	0.0	-81.88	420.74	5.24	-76.64
CC(CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029827788	0	57	0.0	-72.97	428.73	5.31	-67.66
CC(C)[C@H](C(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029827804	0	59	0.0	-71.41	426.79	5.46	-65.95
CC[NH+](CC)CC(F)C(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029827857	0	59	0.0	-66.27	446.54	5.72	-60.55
CC(CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029827875	0	57	0.0	-69.19	408.77	4.65	-64.54
CCC(C(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](CC)CC	REAL300029827903	0	62	0.0	-70.58	445.47	6.23	-64.35
CC(CC1CCN(C(=O)C[N@@H+]2CCCC2C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029827913	0	57	0.0	-69.10	429.73	5.53	-63.57
CC(CC1CCN(C(=O)C[N@H+]2CCCC2C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029827913	1	57	0.0	-68.84	429.18	5.51	-63.33
CC(C)[N@H+]1CCCC1C(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029827951	0	60	0.0	-67.41	440.26	5.71	-61.70
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029827951	1	60	0.0	-62.26	443.18	5.68	-56.58
CC(C)[C@@H](C(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029827958	0	59	0.0	-68.97	424.59	5.31	-63.66
CC(CC1CCN(C(=O)C[N@@H+]2CCC(C)C2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029827971	0	57	0.0	-71.02	430.84	5.54	-65.48
CC(CC1CCN(C(=O)C[N@H+]2CCC(C)C2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029827971	1	57	0.0	-70.82	429.92	5.43	-65.39
CC(CC1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029827975	0	60	0.0	-65.70	450.21	5.99	-59.71
CC(CC1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029827975	1	60	0.0	-65.91	449.81	5.99	-59.92
CC(CC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029827976	0	62	0.0	-66.01	454.38	6.30	-59.71
CC(CC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029827976	1	62	0.0	-71.87	452.35	6.10	-65.77
CC[C@@H](C(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029827984	0	56	0.0	-66.98	410.87	4.67	-62.31
CC1=[NH+]C=CN1CC(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029828089	1	52	0.0	-64.82	412.99	5.32	-59.50
CC[N@@H+]1CCOC(C(=O)N2CCC(CC(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029828144	1	58	0.0	-83.23	436.15	4.70	-78.53
CC[N@H+]1CCOC(C(=O)N2CCC(CC(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029828144	1	58	0.0	-70.65	428.34	4.47	-66.18
CC(CC1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828173	0	52	0.0	-74.07	412.84	6.95	-67.12
CC1=C[NH+]=CN1CC(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029828176	1	52	0.0	-72.13	414.33	6.09	-66.04
CC(CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828182	0	57	0.0	-70.91	418.00	5.00	-65.91
CC(CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828182	1	57	0.0	-72.44	424.17	5.52	-66.92
CC[C@@H]1[C@@H](C(=O)N2CCC(CC(C)NC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300029828184	0	60	0.0	-74.13	438.09	5.31	-68.82
CC[C@@H]1[C@@H](C(=O)N2CCC(CC(C)NC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300029828184	1	60	0.0	-69.97	441.75	5.57	-64.40
CC(CC1CCN(C(=O)C[NH+]2C(C)CCC2C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828191	0	60	0.0	-67.93	441.67	5.77	-62.16
CC(CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828194	0	60	0.0	-69.28	452.83	6.22	-63.06
CC(CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828198	0	60	0.0	-74.10	448.13	6.19	-67.91
CC[N@@H+]1CCCCC1C(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029828201	0	60	0.0	-65.49	441.88	5.94	-59.55
CC[N@H+]1CCCCC1C(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029828201	1	60	0.0	-66.29	442.75	5.98	-60.31
CC(CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828292	0	57	0.0	-64.65	430.81	5.74	-58.91
CC(CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828292	1	57	0.0	-69.63	430.73	5.73	-63.90
CC(CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828320	0	57	0.0	-72.97	428.73	5.31	-67.66
CC(CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828348	0	54	0.0	-64.31	406.04	4.53	-59.78
CC(CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828348	1	54	0.0	-72.03	403.32	4.29	-67.74
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029828365	1	56	0.0	-66.85	429.77	5.53	-61.32
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029828365	1	56	0.0	-63.73	436.55	5.93	-57.80
CC(CC1CCN(C(=O)CCC2CCC[N@@H+]2C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828370	0	60	0.0	-72.78	446.42	5.83	-66.95
CC(CC1CCN(C(=O)CCC2CCC[N@H+]2C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828370	1	60	0.0	-77.93	448.19	6.16	-71.77
CC(CC1CCN(C(=O)C2CCCC[N@@H+]2C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828439	0	57	0.0	-63.70	417.24	4.97	-58.73
CC(CC1CCN(C(=O)C2CCCC[N@H+]2C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828439	1	57	0.0	-68.46	425.07	5.38	-63.08
CC(CC1CCN(C(=O)C2CC[N@H+](C)C2C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828494	0	57	0.0	-68.25	429.56	5.14	-63.11
CC(CC1CCN(C(=O)C2CC[N@@H+](C)C2C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828494	1	57	0.0	-73.65	421.87	4.83	-68.82
CC(CC1CCN(C(=O)C2CC[N@@H+]2C(C)(C)C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828548	0	60	0.0	-68.20	445.58	5.43	-62.77
CC(CC1CCN(C(=O)C2CC[N@H+]2C(C)(C)C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828548	1	60	0.0	-63.73	445.06	5.38	-58.35
CC(CC1CCN(C(=O)[C@H](C)[NH+](C)C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828562	0	53	0.0	-69.01	400.38	4.09	-64.92
C=CCC(C)(C(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029828576	0	60	0.0	-65.15	428.60	5.17	-59.98
CC(CC1CCN(C(=O)CC[NH+]2CCCC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828591	0	57	0.0	-74.26	432.91	5.53	-68.73
CC(CC1CCN(C(=O)C[N@H+](C)CCO)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828600	1	54	0.0	-66.95	412.68	1.18	-65.77
CC(CC1CCN(C(=O)C[N@@H+](C)CCO)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828600	1	54	0.0	-72.00	412.63	1.22	-70.78
CC(CC1CCN(C(=O)CC2=CC[N@H+](C)CC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828653	0	58	0.0	-72.52	443.76	6.14	-66.38
CC(CC1CCN(C(=O)CC2=CC[N@@H+](C)CC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828653	1	58	0.0	-70.52	443.75	6.13	-64.39
CC(CC1CCN(C(=O)C2(C)CC(O)C[N@@H+]2C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828674	0	58	0.0	-63.92	423.12	0.93	-62.99
CC(CC1CCN(C(=O)C2(C)CC(O)C[N@H+]2C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828674	1	58	0.0	-64.97	425.34	1.15	-63.82
CC(CC1CCN(C(=O)C[NH+]2CC(C)C2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828702	1	54	0.0	-71.96	415.91	4.85	-67.11
CC[N@@H+]1CCCC(C(=O)N2CCC(CC(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029828708	0	60	0.0	-62.04	438.49	6.09	-55.95
CC[N@H+]1CCCC(C(=O)N2CCC(CC(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029828708	1	60	0.0	-67.09	446.41	5.94	-61.15
CC(CC1CCN(C(=O)CC2=CC=C[NH+]=C2N)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828712	0	53	0.0	-65.79	418.81	3.61	-62.18
CC(CC1CCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828719	0	58	0.0	-73.12	434.21	5.61	-67.51
CC(CC1CCN(C(=O)C2CCC[N@H+]2C2CC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828719	1	58	0.0	-62.70	433.46	5.71	-56.99
CC(CC1CCN(C(=O)C=CC[NH+]2CCCC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828745	0	58	0.0	-70.09	443.82	6.09	-64.00
CC[N@H+](C)CC(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029828788	0	53	0.0	-71.64	402.32	4.42	-67.22
CC(CC1CCN(C(=O)CN2CC3C=CC2C3)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828821	0	56	0.0	-64.33	423.96	5.74	-58.59
CC(CC1CCN(C(=O)C[N@@H+]2CC3C=CC2C3)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828821	1	56	0.0	-64.56	423.73	5.70	-58.86
CC(CC1CCN(C(=O)C[N@H+]2CC3C=CC2C3)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828821	1	56	0.0	-64.56	423.73	5.70	-58.86
CC(CC1CCN(C(=O)C2C[NH+]3CCN2CC3)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828869	0	57	0.0	-76.90	417.56	1.85	-75.05
CC(CC1CCN(C(=O)C(C)OCC[NH+](C)C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828901	0	60	0.0	-73.89	456.56	5.32	-68.57
CC(CC1CCN(C(=O)CCOCC[NH+](C)C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828908	0	60	0.0	-68.38	461.42	4.60	-63.78
COCC[N@H+](C)CC(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029828910	1	57	0.0	-71.56	434.64	3.63	-67.93
COCC[N@@H+](C)CC(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029828910	1	57	0.0	-67.04	434.93	3.57	-63.47
CC(CC1CCN(C(=O)CCC(C)[NH+](C)C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828913	0	59	0.0	-72.12	437.93	5.54	-66.58
CC(CC1CCN(C(=O)C=C2CC[NH+](C)CC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828923	0	58	0.0	-70.17	437.09	6.07	-64.10
CC[N@H+](CC(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029828928	0	57	0.0	-64.94	426.00	5.65	-59.29
CC[N@@H+](CC(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300029828928	1	57	0.0	-70.16	425.77	5.70	-64.46
CC(CC1CCN(C(=O)C23CC(C2)C[N@@H+]3C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828954	0	55	0.0	-64.63	411.41	4.69	-59.94
CC(CC1CCN(C(=O)C23CC(C2)C[N@H+]3C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828954	1	55	0.0	-64.10	411.36	4.89	-59.21
CC(CC1CCN(C(=O)C[N@@H+]2CC3CCC2C3)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828963	0	58	0.0	-69.06	428.61	5.65	-63.41
CC(CC1CCN(C(=O)C[N@H+]2CC3CCC2C3)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828963	1	58	0.0	-69.57	431.63	5.88	-63.69
CC(CC1CCN(C(=O)C(C)C[NH+](C)C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828977	0	56	0.0	-75.28	421.79	4.83	-70.45
CC(CC1CCN(C(=O)C2([NH+](C)C)CC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828987	0	54	0.0	-74.97	404.86	4.09	-70.88
CC(CC1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829007	0	53	0.0	-69.81	400.75	4.16	-65.65
CC[N@@H+]1CCC1C(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029829012	0	54	0.0	-71.84	415.27	4.67	-67.17
CC[N@H+]1CCC1C(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029829012	1	54	0.0	-71.22	415.79	4.74	-66.48
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029829021	0	62	0.0	-63.45	447.91	4.18	-59.27
CC(CC1CCN(C(=O)C2=C[NH+]=CC=C2N)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829047	0	50	0.0	-65.86	395.57	1.68	-64.18
CCCC(C(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029829055	0	59	0.0	-63.79	434.15	5.44	-58.35
CC(CC1CCN(C(=O)C(C)(C)[NH+](C)C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829059	0	56	0.0	-71.42	404.62	4.20	-67.22
CC(CC1CCN(C(=O)C(C)CC[NH+](C)C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829072	0	59	0.0	-76.31	444.40	5.56	-70.75
CC(CC1CCN(C(=O)C2CC(C)(C)C[N@@H+]2C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829126	0	60	0.0	-68.07	439.25	5.33	-62.74
CC(CC1CCN(C(=O)C2CC(C)(C)C[N@H+]2C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829126	1	60	0.0	-70.69	442.71	5.43	-65.26
CC(CC1CCN(C(=O)CCCCC[NH+](C)C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829128	0	62	0.0	-75.81	471.46	6.71	-69.10
CC(CC1CCN(C(=O)CN2CC[NH+](C)CC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829135	1	59	0.0	-74.03	443.60	3.25	-70.78
CC(CC1CCN(C(=O)C2C[N@H+](C)CC(C)O2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829185	1	58	0.0	-65.68	431.70	4.56	-61.12
CC(CC1CCN(C(=O)C2C[N@@H+](C)CC(C)O2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829185	1	58	0.0	-81.68	431.94	4.71	-76.97
CC(CC1CCN(C(=O)C[NH+]2CC3CC3C2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829214	0	55	0.0	-66.35	420.04	5.64	-60.71
CC(CC1CCN(C(=O)C2CCCC[N@@H+]2C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829238	0	57	0.0	-63.70	417.24	4.97	-58.73
CC(CC1CCN(C(=O)C2CCCC[N@H+]2C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829238	1	57	0.0	-68.46	425.07	5.38	-63.08
CC(CC1CCN(C(=O)C=C2CC[N@H+](C)C2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829305	0	55	0.0	-77.15	422.19	5.36	-71.79
CC(CC1CCN(C(=O)C=C2CC[N@@H+](C)C2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829305	1	55	0.0	-73.33	422.37	5.31	-68.02
CC(CC1CCN(C(=O)CNC2=CC=[NH+]C=C2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829308	0	53	0.0	-67.64	420.36	3.01	-64.63
CC(CC1CCN(C(=O)C2([NH+](C)C)CCCC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829362	0	60	0.0	-69.16	420.80	5.31	-63.85
CCC1C[NH+](CC(=O)N2CCC(CC(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029829371	0	57	0.0	-73.18	437.08	5.57	-67.61
CC(CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829381	0	54	0.0	-68.58	402.98	4.35	-64.23
CC(CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829381	1	54	0.0	-64.06	409.94	4.67	-59.39
CC(CC1CCN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829471	0	57	0.0	-71.14	433.52	5.49	-65.65
CC(CC1CCN(C(=O)C2(CC[NH+](C)C)CC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829480	0	60	0.0	-79.39	456.61	6.09	-73.30
CC(CC1CCN(C(=O)CC2CC=CC[N@@H+]2C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829481	0	58	0.0	-66.88	430.79	5.80	-61.08
CC(CC1CCN(C(=O)CC2CC=CC[N@H+]2C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829481	1	58	0.0	-76.20	435.58	5.89	-70.31
CC(CC1CCN(C(=O)COCC[NH+](C)C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829514	0	57	0.0	-72.67	440.47	4.87	-67.80
CC(CC1CCN(C(=O)CN2C=CSC2=[NH2+])CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829540	0	50	0.0	-68.74	411.64	3.93	-64.81
CC(CC1CCN(C(=O)[C@@H](C)OCC[NH+](C)C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829576	0	60	0.0	-68.68	455.83	5.30	-63.38
CC(CC1CCN(C(=O)C2CCC[N@H+](C)C2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829604	0	57	0.0	-74.26	426.00	5.16	-69.10
CC(CC1CCN(C(=O)C2CCC[N@@H+](C)C2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829604	1	57	0.0	-74.26	426.00	5.16	-69.10
CC(CC1CCN(C(=O)C[NH+]2CCCCCC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829605	0	60	0.0	-70.57	435.55	5.79	-64.78
CC(CC1CCN(C(=O)C[N+]2=CN(C)C=C2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829608	0	52	0.0	-64.67	415.80	7.26	-57.41
CC(CC1CCN(C(=O)C[N@H+](C)C2CC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829629	0	54	0.0	-64.03	413.92	5.14	-58.89
CC(CC1CCN(C(=O)CC[N@@H+]2CCC(F)C2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829632	0	57	0.0	-71.05	439.15	5.61	-65.44
CC(CC(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300029829652	0	59	0.0	-76.00	441.89	5.81	-70.19
CC(CC1CCN(C(=O)CC2COCCN2C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829671	0	58	0.0	-62.94	427.66	3.46	-59.48
CC(CC1CCN(C(=O)CC2COCC[N@@H+]2C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829671	1	58	0.0	-79.79	435.21	3.62	-76.17
CC(CC1CCN(C(=O)CC2COCC[N@H+]2C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829671	1	58	0.0	-79.79	435.21	3.62	-76.17
CC1=CC(N)=NC=C1C(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029829710	0	53	0.0	-71.29	417.54	3.03	-68.26
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029829710	1	53	0.0	-71.29	417.54	3.03	-68.26
CC(CC1CCN(C(=O)C[N@@H+]2CCC(C)(O)C2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829739	0	58	0.0	-72.46	440.84	2.19	-70.27
CC(CC1CCN(C(=O)CC2C[NH+](C)C2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829765	0	54	0.0	-75.40	415.89	4.61	-70.79
CC(CC1CCN(C(=O)CC[N@H+](C)CCO)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829790	0	57	0.0	-74.39	434.94	1.81	-72.58
CC(CC1CCN(C(=O)CC[N@@H+](C)CCO)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829790	1	57	0.0	-74.39	434.94	1.81	-72.58
CC(CC1CCN(C(=O)CC2CCCC[N@@H+]2C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829806	0	60	0.0	-70.05	443.76	5.99	-64.06
CC(CC1CCN(C(=O)CC2CCCC[N@H+]2C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829806	1	60	0.0	-70.05	443.76	5.99	-64.06
CC(CC1CCN(C(=O)C[N@@H+]2CCC2C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829819	0	54	0.0	-66.00	415.89	4.83	-61.17
CC(CC1CCN(C(=O)C=CC[NH+](C)C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829825	0	54	0.0	-78.54	420.73	5.02	-73.52
CC(CC1CCN(C(=O)CN2CC(C)(C)C2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829831	0	57	0.0	-72.06	435.16	5.37	-66.69
CC(CC1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829831	1	57	0.0	-72.06	435.16	5.37	-66.69
CC(CC1CCN(C(=O)CSCC[NH+](C)C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829850	0	57	0.0	-79.44	451.49	5.77	-73.67
CC(CC1CCN(C(=O)C[N@@H+]2CCCC2CO)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829867	0	58	0.0	-70.58	437.72	2.38	-68.20
CC(CC1CCN(C(=O)C[N@H+]2CCCC2CO)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829867	1	58	0.0	-68.78	430.51	2.29	-66.49
CC[NH+](CC)CC(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029829871	0	56	0.0	-70.16	416.19	4.82	-65.34
CC(CC1CCN(C(=O)C[NH+]2CCC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829880	1	51	0.0	-67.32	394.70	4.16	-63.16
CC[NH+](CC)CCC(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029829910	0	59	0.0	-74.27	438.20	5.43	-68.84
CC(CC1CCN(C(=O)C(C)[NH+]2CCC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829966	0	54	0.0	-65.20	410.32	4.58	-60.62
CCC(CC(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300029829971	0	62	0.0	-76.59	455.62	6.27	-70.32
CC(CC1CCN(C(=O)C=CC2=CC=C(N)[NH+]=C2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829976	0	54	0.0	-71.07	430.90	3.96	-67.11
CC(CC1CCN(C(=O)C(C)(C)C[NH+](C)C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829977	0	59	0.0	-63.47	423.54	5.55	-57.92
CC(CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029830011	0	57	0.0	-62.02	424.26	5.27	-56.75
CC(CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029830011	1	57	0.0	-69.90	413.96	4.86	-65.04
CC(CC1CCN(C(=O)CC(O)C[NH+](C)C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029830033	0	57	0.0	-79.22	437.21	2.81	-76.41
C=CCC(C(=O)N1CCC(CC(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300029830054	0	57	0.0	-69.54	428.36	5.32	-64.22
CC(CC1CCN(C(=O)C2(C)CC[NH+](C)CC2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029830066	0	60	0.0	-69.36	433.82	5.27	-64.09
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CSCC[NH+](C)C	REAL300029830126	0	57	0.0	-78.04	448.29	5.41	-72.63
C[N@@H+]1CCCC1C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029830289	0	52	0.0	-50.48	395.03	1.48	-49.00
C[N@H+]1CCCC1C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029830289	1	52	0.0	-46.15	390.01	0.99	-45.16
C[N@@H+]1CCOC(C(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029830313	1	53	0.0	-43.59	405.98	0.76	-42.83
C[N@H+]1CCOC(C(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029830313	1	53	0.0	-45.29	400.20	0.72	-44.57
CC(C)[N@@H+]1CCCC1C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029830461	0	58	0.0	-47.85	428.89	2.51	-45.34
CC(C)[N@H+]1CCCC1C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029830461	1	58	0.0	-47.07	431.20	2.43	-44.64
CC1=[NH+]C=CN1CC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029830486	1	50	0.0	-52.79	399.42	2.03	-50.76
CC(C)(O)C1(CNC(=O)C2C[NH+]3CCC2CC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029830507	0	56	0.0	-44.66	411.20	2.23	-42.43
C[C@@H]1[C@H](C(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029830537	0	55	0.0	-54.88	406.61	1.39	-53.49
C[C@@H]1[C@H](C(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029830537	1	55	0.0	-52.69	412.96	1.63	-51.06
CC[C@@H]1[C@@H](C(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029830539	0	58	0.0	-56.24	429.15	1.99	-54.25
CC[C@@H]1[C@@H](C(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029830539	1	58	0.0	-56.01	434.71	2.28	-53.73
CC[N@@H+]1CCOC(C(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029830544	1	56	0.0	-55.44	420.22	1.25	-54.19
CC[N@H+]1CCOC(C(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029830544	1	56	0.0	-52.87	425.13	1.52	-51.35
CC1CCC(C)[NH+]1CC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029830594	0	58	0.0	-47.65	429.32	2.32	-45.33
CC(C)(O)C1(CNC(=O)CCC[NH+]2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029830597	0	58	0.0	-55.43	439.80	2.97	-52.46
CC(C)(O)C1(CNC(=O)CC[NH+]2CCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029830600	0	58	0.0	-52.59	436.18	2.71	-49.88
CC[N@@H+]1CCCCC1C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029830603	0	58	0.0	-49.19	420.37	2.49	-46.70
CC[N@H+]1CCCCC1C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029830603	1	58	0.0	-50.53	419.10	2.45	-48.08
C[NH+](C)C1(C(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300029830613	0	55	0.0	-49.35	399.69	2.57	-46.78
CC(C)[C@@H](C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029830619	0	57	0.0	-53.94	414.22	1.96	-51.98
C[N@H+](CC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029830640	0	55	0.0	-48.18	416.19	2.37	-45.81
C[N@@H+](CC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029830640	1	55	0.0	-48.05	416.39	2.38	-45.67
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029830698	1	54	0.0	-50.25	416.62	2.20	-48.05
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029830698	1	54	0.0	-47.16	422.40	2.66	-44.50
C[N@@H+]1CCCC1CCC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029830703	0	58	0.0	-48.92	437.32	2.95	-45.97
C[N@H+]1CCCC1CCC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029830703	1	58	0.0	-57.12	431.88	2.43	-54.69
C[NH+]1CCC(C(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029830719	0	55	0.0	-49.10	412.77	1.98	-47.12
C[N@@H+]1CCCCC1C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029830750	0	55	0.0	-50.87	402.61	1.86	-49.01
C[N@H+]1CCCCC1C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029830750	1	55	0.0	-47.19	412.08	1.99	-45.20
CC(C)(O)C1(CNC(=O)C2=CN3C=[NH+]C=C3C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029830803	0	50	0.0	-59.61	395.93	3.68	-55.93
CC(C)(O)C1(CNC(=O)CC[NH+]2CCOCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029830809	1	56	0.0	-53.76	425.21	0.42	-53.34
CC1=C[NH+]=CN1CC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029830822	1	50	0.0	-55.39	398.71	2.70	-52.69
CC(C)(O)C1(CNC(=O)C23CCC[NH+]2CCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029830838	0	56	0.0	-42.94	400.77	1.89	-41.05
C[N@@H+]1CCC(CC(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029830845	0	55	0.0	-58.77	416.91	2.02	-56.75
C[N@H+]1CCC(CC(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029830845	1	55	0.0	-56.30	415.82	2.00	-54.30
CCC(C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029830852	0	54	0.0	-49.98	403.63	1.57	-48.41
CC(C)(O)C1(CNC(=O)C2=CC3=C[NH+]=CN3C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029830876	1	50	0.0	-55.56	395.12	3.61	-51.95
C[NH+](C)CCCCC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029830901	0	57	0.0	-59.94	435.36	2.55	-57.39
CC(C)C(C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029830913	0	57	0.0	-49.74	414.21	1.95	-47.79
CCC[N@H+](C)CCC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029830914	0	57	0.0	-54.00	431.59	2.36	-51.64
CCC[N@@H+](C)CCC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029830914	1	57	0.0	-50.92	431.70	2.35	-48.57
CCC[N@H+](C)CC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029830917	0	54	0.0	-49.45	409.32	1.79	-47.66
CCC[N@@H+](C)CC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029830917	1	54	0.0	-50.42	409.21	1.83	-48.59
CC(C)(O)C1(CNC(=O)C23CC[N@H+](C2)CCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029830930	0	56	0.0	-44.00	409.74	1.69	-42.31
CC(C)(O)C1(CNC(=O)C23CC[N@@H+](C2)CCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029830930	1	56	0.0	-40.42	410.95	1.55	-38.87
C[N@@H+]1CCC[C@@H]1C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029830954	0	52	0.0	-47.51	392.14	0.84	-46.67
C[N@H+]1CCC[C@@H]1C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029830954	1	52	0.0	-50.34	395.88	1.45	-48.89
CC[NH+](CC)CC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029830983	0	54	0.0	-50.68	406.09	1.78	-48.90
CC1CC[NH+](CC(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029831037	0	58	0.0	-47.69	435.13	2.77	-44.92
C[NH+](C)CC1(C(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029831057	0	55	0.0	-54.00	418.40	2.04	-51.96
C[NH+]1CCC(C(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029831105	0	55	0.0	-49.10	412.77	1.98	-47.12
CC(C)[C@H](C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029831120	0	57	0.0	-54.04	413.58	1.95	-52.09
CCC(C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029831148	0	60	0.0	-49.03	436.17	2.71	-46.32
CC[N@H+](C)CCC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831179	0	54	0.0	-52.41	410.07	1.64	-50.77
CC[N@@H+](C)CCC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831179	1	54	0.0	-51.71	410.14	1.60	-50.11
CC1CCC[N@@H+]1CC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831203	0	55	0.0	-48.63	410.84	1.70	-46.93
CC1CCC[N@H+]1CC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831203	1	55	0.0	-48.96	414.52	2.16	-46.80
CC1CC[N@H+](CC(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029831204	0	55	0.0	-49.36	415.54	2.14	-47.22
CC1CC[N@@H+](CC(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029831204	1	55	0.0	-48.70	415.33	2.16	-46.54
CC(C)(O)C1(CNC(=O)C[N@@H+]2CCC(C)(C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831207	0	58	0.0	-48.76	434.86	2.66	-46.10
CC(C)(O)C1(CNC(=O)C[N@H+]2CCC(C)(C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831207	1	58	0.0	-48.72	434.89	2.70	-46.02
C[N@H+](CC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029831208	0	60	0.0	-47.85	439.71	2.89	-44.96
C[N@@H+](CC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029831208	1	60	0.0	-48.20	441.99	2.82	-45.38
CC[C@@H](C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029831215	0	54	0.0	-53.50	400.23	1.42	-52.08
C[NH+](C)CC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831300	0	48	0.0	-52.61	369.99	0.41	-52.20
CC(C)(O)C1(CNC(=O)C[NH+]2CCCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831303	0	58	0.0	-50.60	421.05	2.49	-48.11
CN1C=C[N+](CC(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029831306	0	50	0.0	-51.86	401.20	3.94	-47.92
C[N@@H+]1CCCC(C(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029831310	0	55	0.0	-54.18	414.05	2.02	-52.16
C[N@H+]1CCCC(C(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029831310	1	55	0.0	-52.18	407.50	2.23	-49.95
CC(C)(O)C1(CNC(=O)C2CCC[N@@H+]2C2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831315	0	56	0.0	-46.14	427.61	2.92	-43.22
CC(C)(O)C1(CNC(=O)C2CCC[N@H+]2C2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831315	1	56	0.0	-46.48	422.60	2.76	-43.72
CC(C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029831327	1	52	0.0	-50.62	400.02	1.37	-49.25
CCC(CC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029831331	0	60	0.0	-50.76	444.81	3.04	-47.72
C[NH+](C)CC(C)(C)C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831336	0	57	0.0	-47.85	416.33	2.15	-45.70
CC(C)(O)C1(CNC(=O)C[NH+]2CCC(O)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831347	1	56	0.0	-50.06	423.31	-1.07	-51.13
C[N@H+](CC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029831348	0	52	0.0	-49.43	399.24	1.84	-47.59
C[N@@H+](CC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029831348	1	52	0.0	-49.66	399.40	1.82	-47.84
C[NH+]1CC(CC(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029831362	0	52	0.0	-55.55	401.44	1.24	-54.31
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831372	0	58	0.0	-44.98	431.46	2.10	-42.88
CC(C)(C)[N@H+]1CCC1C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831372	1	58	0.0	-48.34	433.63	2.01	-46.33
C[C@@H](C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029831383	0	51	0.0	-52.80	388.10	0.80	-52.00
CC(C)(O)C1(CNC(=O)CN2C=CSC2=[NH2+])CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831435	0	48	0.0	-51.05	397.07	0.59	-50.46
C[N@H+](CCO)CCC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831440	0	55	0.0	-51.07	420.56	-1.61	-52.68
C[N@@H+](CCO)CCC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831440	1	55	0.0	-52.59	420.41	-1.60	-54.19
C[C@@H](C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029831441	0	51	0.0	-52.80	388.10	0.80	-52.00
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831444	0	55	0.0	-50.25	402.65	1.85	-48.40
C[N@H+]1CCCC[C@@H]1C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831444	1	55	0.0	-48.87	411.91	2.00	-46.87
C[N@@H+]1CCC(=CC(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029831505	0	53	0.0	-62.32	408.84	1.94	-60.38
C[N@H+]1CCC(=CC(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029831505	1	53	0.0	-61.38	411.02	1.85	-59.53
C[NH+](C)CCOCC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831525	0	55	0.0	-58.34	425.84	1.49	-56.85
C=CCC(C)(C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029831537	0	58	0.0	-41.72	419.50	2.22	-39.50
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831555	0	56	0.0	-44.80	403.32	-2.21	-47.01
CC1CN(CC(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029831572	0	52	0.0	-50.55	400.05	1.58	-48.97
CC1C[NH+](CC(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029831572	1	52	0.0	-50.55	400.05	1.58	-48.97
CN(CCO)CC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831590	0	52	0.0	-50.85	398.17	-2.18	-53.03
C[N@H+](CCO)CC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831590	1	52	0.0	-47.99	398.01	-2.17	-50.16
C[N@@H+](CCO)CC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831590	1	52	0.0	-47.99	398.01	-2.17	-50.16
CC[N@@H+]1CCCC(C(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029831609	0	58	0.0	-53.76	431.44	2.67	-51.09
CC[N@H+]1CCCC(C(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029831609	1	58	0.0	-53.76	431.44	2.67	-51.09
CC(CC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029831611	0	57	0.0	-56.85	427.16	2.43	-54.42
CC[N@H+](C)CC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831615	0	51	0.0	-48.85	389.94	0.94	-47.91
CC[N@H+](CC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029831642	0	55	0.0	-47.95	416.19	2.44	-45.51
CC[NH+](CC)CCC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831651	0	57	0.0	-52.59	425.78	1.93	-50.66
CC(C)(O)C1(CNC(=O)C[N@@H+]2CCC(C)(O)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831684	0	56	0.0	-50.88	428.45	-1.30	-52.18
C[NH+](C)CC=CC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831687	0	52	0.0	-60.48	407.19	1.68	-58.80
CC(OCC[NH+](C)C)C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831695	0	58	0.0	-58.01	445.63	2.19	-55.82
C[NH+](C)CCOCCC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831701	0	58	0.0	-55.52	446.79	1.22	-54.30
COCCN(C)CC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831702	0	55	0.0	-48.35	420.20	0.22	-48.13
COCC[N@H+](C)CC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831702	1	55	0.0	-52.20	420.33	0.24	-51.96
COCC[N@@H+](C)CC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831702	1	55	0.0	-52.20	420.33	0.24	-51.96
C[NH+](C)C1(C(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029831721	0	58	0.0	-55.60	417.49	3.07	-52.53
CC(CCC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029831723	0	57	0.0	-57.00	427.33	2.17	-54.83
CCN1CCC1C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831729	0	52	0.0	-50.15	393.82	1.27	-48.88
CC[N@@H+]1CCC1C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831729	1	52	0.0	-49.07	401.59	1.45	-47.62
CC[N@H+]1CCC1C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831729	1	52	0.0	-49.07	401.59	1.45	-47.62
CC(C)(O)C1(CNC(=O)C[N@@H+]2CCCC2CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831740	0	56	0.0	-45.45	425.01	-1.02	-46.47
C[NH+]1CCC(C)(C(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029831760	0	58	0.0	-50.79	426.56	2.45	-48.34
C=CCC(C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029831777	0	55	0.0	-49.27	413.05	1.86	-47.41
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831784	0	58	0.0	-51.84	435.92	2.64	-49.20
C[NH+](C)CCCCCC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831786	0	60	0.0	-62.47	456.85	3.34	-59.13
CCCC(C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029831804	0	57	0.0	-53.79	424.11	2.33	-51.46
C[NH+](C)C(C)(C)C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831807	0	54	0.0	-39.26	395.14	1.38	-37.88
C[N@@H+]1CCCCC1C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831831	0	55	0.0	-47.19	412.08	1.99	-45.20
C[N@H+]1CC=C(CC(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029831852	0	56	0.0	-61.61	429.18	2.72	-58.89
C[N@@H+]1CC=C(CC(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029831852	1	56	0.0	-61.75	429.12	2.76	-58.99
CC(C)(O)C1(CNC(=O)C=CC[NH+]2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831884	0	56	0.0	-56.97	434.48	2.70	-54.27
C[NH+](C)C1(C(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029831912	0	52	0.0	-55.39	397.97	1.58	-53.81
CC(C)(O)C1(CNC(=O)CC[NH+]2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831913	0	55	0.0	-51.98	418.30	2.16	-49.82
CC(C)(O)C1(CNC(=O)C2C[NH+]3CCN2CC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831935	0	55	0.0	-45.18	406.31	-1.10	-46.28
C[N@@H+]1CC2CC1(C(=O)NCC1(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029831939	0	53	0.0	-38.44	403.06	1.46	-36.98
C[N@H+]1CC2CC1(C(=O)NCC1(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029831939	1	53	0.0	-37.17	401.18	1.39	-35.78
CC(C)(O)C1(CNC(=O)C[N@@H+]2CC3CCC2C3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831944	0	56	0.0	-49.06	413.92	2.31	-46.75
CC(C)(O)C1(CNC(=O)C[N@H+]2CC3CCC2C3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831944	1	56	0.0	-49.59	413.86	2.30	-47.29
CC(C)(O)C1(CNC(=O)C[N@@H+]2CC3C=CC2C3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831982	1	54	0.0	-48.70	408.79	2.27	-46.43
CC(C)(O)C1(CNC(=O)C[N@H+]2CC3C=CC2C3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831982	1	54	0.0	-46.73	409.42	2.37	-44.36
CC(C[NH+](C)C)C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029832013	0	54	0.0	-55.95	407.46	1.75	-54.20
C[N@@H+]1CCCCC1CC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029832054	0	58	0.0	-48.61	421.74	2.47	-46.14
C[N@H+]1CCCCC1CC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029832054	1	58	0.0	-52.60	429.23	2.60	-50.00
CC(C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300029832063	1	55	0.0	-50.15	419.20	2.11	-48.04
CC1CC[N@@H+]1CC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029832065	1	52	0.0	-49.86	395.76	1.25	-48.61
CC1CC[N@H+]1CC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029832065	1	52	0.0	-49.61	401.31	1.50	-48.11
C[NH+](C)CC(O)CC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029832067	0	55	0.0	-59.50	422.69	-0.58	-60.08
CC1C[N@H+](C)CC(C(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029832086	1	56	0.0	-57.62	421.69	1.45	-56.17
CC1C[N@@H+](C)CC(C(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029832086	1	56	0.0	-44.65	428.55	1.60	-43.05
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029832125	0	55	0.0	-58.31	419.55	2.15	-56.16
CC(CC[NH+](C)C)C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029832129	0	57	0.0	-57.88	430.01	2.34	-55.54
C[NH+]1CCN(CC(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029832145	1	57	0.0	-61.92	429.02	-0.09	-62.01
CC(C)(O)C1(CNC(=O)CSC(N)=[NH2+])CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029832166	0	46	0.0	-51.78	380.71	-2.84	-54.62
C[NH+](C)CCC1(C(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029832190	0	58	0.0	-44.71	445.83	2.97	-41.74
C[N@@H+]1CC=CCC1CC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029832191	0	56	0.0	-52.45	421.22	2.46	-49.99
C[N@H+]1CC=CCC1CC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029832191	1	56	0.0	-51.56	416.13	2.41	-49.15
C[C@@H](OCC[NH+](C)C)C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029832201	0	58	0.0	-60.49	445.66	2.17	-58.32
CCC1CN(CC(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029832276	0	55	0.0	-50.40	422.52	2.30	-48.10
CCC1C[NH+](CC(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029832276	1	55	0.0	-50.40	422.52	2.30	-48.10
C[N@@H+]1CCC[C@H]1C(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029832281	0	52	0.0	-46.07	392.43	0.84	-45.23
CC(C)(O)C1(CNC(=O)CC[N@@H+]2CCC(F)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029832287	0	55	0.0	-55.82	424.57	2.22	-53.60
CC1C(C(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029832306	0	55	0.0	-51.01	409.79	1.48	-49.53
CC1C(C(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029832306	1	55	0.0	-51.01	409.79	1.48	-49.53
CN1CCOCC1CC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029832335	0	56	0.0	-50.04	413.08	0.09	-49.95
C[N@@H+]1CCOCC1CC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029832335	1	56	0.0	-53.36	415.54	-0.03	-53.39
C[N@H+]1CCOCC1CC(=O)NCC1(C(C)(C)O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029832335	1	56	0.0	-53.36	415.54	-0.03	-53.39
C[N@@H+]1CCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029832503	0	52	0.0	-61.24	387.63	0.70	-60.54
CN1CCOC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)C1	REAL300029832529	0	53	0.0	-73.93	399.81	0.67	-73.26
C[N@@H+]1CCOC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)C1	REAL300029832529	1	53	0.0	-74.85	399.00	0.68	-74.17
C[N@H+]1CCOC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)C1	REAL300029832529	1	53	0.0	-74.85	399.00	0.68	-74.17
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCN2CCOCC2)C1	REAL300029832678	0	56	0.0	-56.68	427.26	0.51	-56.17
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[NH+]2CCOCC2)C1	REAL300029832678	1	56	0.0	-56.68	427.26	0.51	-56.17
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300029832687	0	56	0.0	-68.54	397.78	2.02	-66.52
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC3=CN=CN3C=C2)C1	REAL300029832690	0	50	0.0	-69.42	398.03	3.61	-65.81
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300029832690	1	50	0.0	-69.42	398.03	3.61	-65.81
C[N@@H+]1CCC(CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)C1	REAL300029832713	0	55	0.0	-54.17	410.35	2.11	-52.06
C[N@H+]1CCC(CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)C1	REAL300029832713	1	55	0.0	-54.17	410.35	2.11	-52.06
CCC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1)[NH+](C)C	REAL300029832720	0	54	0.0	-51.47	384.53	1.30	-50.17
C[NH+](C)CCCCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029832753	0	57	0.0	-62.71	437.41	2.64	-60.07
CC(C)C(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1)[NH+](C)C	REAL300029832767	0	57	0.0	-48.10	404.14	2.32	-45.78
CCC[N@H+](C)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029832768	0	57	0.0	-56.14	435.89	2.35	-53.79
CCC[N@@H+](C)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029832768	1	57	0.0	-56.14	435.89	2.35	-53.79
CCC[N@H+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029832771	0	54	0.0	-54.87	401.31	2.10	-52.77
CCC[N@@H+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029832771	1	54	0.0	-54.87	401.31	2.10	-52.77
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300029832784	0	56	0.0	-63.62	405.87	1.44	-62.18
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300029832784	1	56	0.0	-63.62	405.87	1.44	-62.18
C[NH+](C)CC1(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)CC1	REAL300029832850	0	55	0.0	-56.78	409.31	1.81	-54.97
CC[N@H+](C)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029832868	0	54	0.0	-56.28	412.21	1.73	-54.55
CC[N@@H+](C)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029832868	1	54	0.0	-56.53	414.28	1.62	-54.91
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300029832880	0	56	0.0	-77.62	411.56	2.17	-75.45
C[NH+]1CCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)CC1	REAL300029832921	0	55	0.0	-69.31	414.37	2.02	-67.29
CC(C)[C@H](C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1)[NH+](C)C	REAL300029832936	0	57	0.0	-50.98	407.28	2.03	-48.95
C[NH+](C)C1(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)CCC1	REAL300029833000	0	55	0.0	-67.78	398.99	1.75	-66.03
CCC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1)[NH+](CC)CC	REAL300029833028	0	60	0.0	-52.17	420.74	2.27	-49.90
CC1CCC[N@@H+]1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029833037	0	55	0.0	-50.32	410.80	1.89	-48.43
CC1CCC[N@H+]1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029833037	1	55	0.0	-53.74	416.99	2.19	-51.55
CC(C)[N@@H+]1CCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029833073	0	58	0.0	-59.64	433.81	1.93	-57.71
CC(C)[N@H+]1CCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029833073	1	58	0.0	-60.69	428.01	2.78	-57.91
CC(C)[C@@H](C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1)[NH+](C)C	REAL300029833080	0	57	0.0	-57.79	417.91	1.51	-56.28
CC1CC[N@H+](CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)C1	REAL300029833093	0	55	0.0	-59.86	418.69	2.16	-57.70
CC1CC[N@@H+](CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)C1	REAL300029833093	1	55	0.0	-53.39	417.33	2.25	-51.14
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1	REAL300029833096	0	58	0.0	-53.54	437.02	2.75	-50.79
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1	REAL300029833096	1	58	0.0	-53.36	437.68	2.77	-50.59
C[N@H+](CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1)CC(C)(C)C	REAL300029833097	0	60	0.0	-53.10	441.55	2.80	-50.30
C[N@@H+](CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1)CC(C)(C)C	REAL300029833097	1	60	0.0	-51.50	431.31	3.20	-48.30
CC[C@@H](C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1)[NH+](C)C	REAL300029833104	0	54	0.0	-57.75	390.86	1.84	-55.91
CC1=[NH+]C=CN1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029833193	1	50	0.0	-58.03	400.45	2.04	-55.99
CC[N@@H+]1CCOC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)C1	REAL300029833241	1	56	0.0	-72.79	427.35	1.44	-71.35
CC[N@H+]1CCOC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)C1	REAL300029833241	1	56	0.0	-83.46	425.26	0.38	-83.08
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300029833264	0	50	0.0	-64.33	397.71	3.59	-60.74
CC1=C[NH+]=CN1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029833267	1	50	0.0	-54.25	402.79	2.65	-51.60
C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)CC[N@@H+]1C	REAL300029833272	0	55	0.0	-68.83	407.06	1.48	-67.35
C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)CC[N@H+]1C	REAL300029833272	1	55	0.0	-68.67	414.07	1.73	-66.94
CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)CC[N@@H+]1C	REAL300029833274	0	58	0.0	-63.53	422.44	2.20	-61.33
CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)CC[N@H+]1C	REAL300029833274	1	58	0.0	-62.27	435.63	2.07	-60.20
CC1CCC(C)[NH+]1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029833280	0	58	0.0	-51.89	416.57	2.98	-48.91
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC[NH+]2CCCC2)C1	REAL300029833283	0	58	0.0	-54.87	443.94	2.93	-51.94
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[NH+]2CCCCC2)C1	REAL300029833287	0	58	0.0	-57.14	435.61	2.95	-54.19
CC[N@@H+]1CCCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029833290	0	58	0.0	-48.98	416.76	2.27	-46.71
CC[N@H+]1CCCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029833290	1	58	0.0	-54.60	416.40	2.46	-52.14
C[N@H+](CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1)C1CCC1	REAL300029833374	0	55	0.0	-54.10	417.00	2.63	-51.47
C[N@@H+](CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1)C1CCC1	REAL300029833374	1	55	0.0	-51.88	412.24	2.54	-49.34
C[NH+]1CCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)CC1	REAL300029833399	0	55	0.0	-69.31	414.37	2.02	-67.29
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029833424	0	52	0.0	-67.21	373.58	1.19	-66.02
C[N@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029833424	1	52	0.0	-51.93	391.79	1.49	-50.44
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029833441	1	54	0.0	-59.80	401.38	2.40	-57.40
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029833441	1	54	0.0	-60.53	413.50	2.71	-57.82
C[N@@H+]1CCCC1CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029833446	0	58	0.0	-53.44	433.88	2.52	-50.92
C[N@H+]1CCCC1CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029833446	1	58	0.0	-53.05	436.01	2.46	-50.59
C[N@@H+]1CCCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029833511	0	55	0.0	-53.73	398.63	1.73	-52.00
C[N@H+]1CCCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029833511	1	55	0.0	-55.82	402.02	1.64	-54.18
CC1C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)CC[N@@H+]1C	REAL300029833563	0	55	0.0	-63.68	411.22	2.22	-61.46
CC1C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)CC[N@H+]1C	REAL300029833563	1	55	0.0	-76.50	390.95	1.61	-74.89
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029833615	0	58	0.0	-55.18	429.07	2.04	-53.14
CC(C)(C)[N@H+]1CCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029833615	1	58	0.0	-49.92	400.35	1.53	-48.39
C[C@@H](C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1)[NH+](C)C	REAL300029833629	0	51	0.0	-51.72	377.49	0.82	-50.90
C=CCC(C)(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1)[NH+](C)C	REAL300029833642	0	58	0.0	-67.48	410.26	2.08	-65.40
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[NH+]2CCCC2)C1	REAL300029833656	0	55	0.0	-57.42	420.32	2.22	-55.20
C[N@H+](CCO)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029833665	1	52	0.0	-53.41	390.16	-1.88	-55.29
C[N@@H+](CCO)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029833665	1	52	0.0	-55.92	397.76	-1.64	-57.56
C[N@H+]1CC=C(CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)CC1	REAL300029833714	0	56	0.0	-54.64	423.15	2.99	-51.65
C[N@@H+]1CC=C(CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)CC1	REAL300029833714	1	56	0.0	-54.08	424.88	2.94	-51.14
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029833732	0	56	0.0	-79.62	409.00	-1.61	-81.23
C[N@H+]1CC(O)CC1(C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029833732	1	56	0.0	-76.09	403.92	-1.61	-77.70
CC1C[NH+](CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)C1	REAL300029833758	1	52	0.0	-58.07	398.90	1.65	-56.42
CC[N@@H+]1CCCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)C1	REAL300029833764	0	58	0.0	-57.29	435.17	2.64	-54.65
CC[N@H+]1CCCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)C1	REAL300029833764	1	58	0.0	-59.68	420.17	2.39	-57.29
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=CC=C[NH+]=C2N)C1	REAL300029833768	0	51	0.0	-57.99	403.05	0.41	-57.58
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300029833775	0	56	0.0	-65.27	410.79	3.01	-62.26
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300029833775	1	56	0.0	-52.84	406.42	3.15	-49.69
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300029833796	0	56	0.0	-56.13	432.49	2.81	-53.32
CC[N@H+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029833837	0	51	0.0	-54.31	383.73	1.22	-53.09
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300029833868	1	54	0.0	-58.15	402.85	2.48	-55.67
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300029833868	1	54	0.0	-53.87	411.25	2.50	-51.37
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[NH+]3CCN2CC3)C1	REAL300029833916	0	55	0.0	-80.43	407.27	-1.33	-81.76
CC(OCC[NH+](C)C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029833942	0	58	0.0	-44.43	436.99	2.94	-41.49
C[NH+](C)CCOCCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029833949	0	58	0.0	-63.70	448.81	1.30	-62.40
COCC[N@H+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029833951	1	55	0.0	-60.76	414.95	1.12	-59.64
COCC[N@@H+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029833951	1	55	0.0	-53.43	412.42	0.52	-52.91
CC(CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1)[NH+](C)C	REAL300029833954	0	57	0.0	-64.18	427.59	2.13	-62.05
C[NH+]1CCC(=CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)CC1	REAL300029833963	0	56	0.0	-62.72	425.33	2.79	-59.93
CC[N@H+](CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1)C1CC1	REAL300029833968	0	55	0.0	-54.16	420.65	2.58	-51.58
CC[N@@H+](CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1)C1CC1	REAL300029833968	1	55	0.0	-54.06	413.40	2.45	-51.61
C[N@@H+]1CC2CC1(C(=O)N1CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C1)C2	REAL300029833993	0	53	0.0	-74.96	400.42	1.28	-73.68
C[N@H+]1CC2CC1(C(=O)N1CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C1)C2	REAL300029833993	1	53	0.0	-58.86	393.50	1.18	-57.68
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300029834000	0	56	0.0	-49.51	421.17	2.51	-47.00
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300029834000	1	56	0.0	-58.42	408.35	2.71	-55.71
CC(C[NH+](C)C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029834014	0	54	0.0	-57.71	410.25	1.63	-56.08
C[NH+](C)C1(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)CC1	REAL300029834022	0	52	0.0	-57.35	386.71	1.29	-56.06
C[C@H](C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1)[NH+](C)C	REAL300029834040	0	51	0.0	-53.49	381.81	0.61	-52.88
CC[N@@H+]1CCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029834044	1	52	0.0	-60.73	402.32	1.37	-59.36
CC[N@H+]1CCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029834044	1	52	0.0	-69.29	404.03	1.06	-68.23
CCC(C)(C)[NH2+]C(C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029834052	0	60	0.0	-54.90	424.65	1.08	-53.82
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C[NH+]=CC=C2N)C1	REAL300029834076	0	48	0.0	-65.97	378.29	-1.43	-67.40
CCCC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1)[NH+](C)C	REAL300029834083	0	57	0.0	-65.87	424.74	1.82	-64.05
C[NH+](C)C(C)(C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029834087	0	54	0.0	-71.92	395.67	1.46	-70.46
CC(CC[NH+](C)C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029834100	0	57	0.0	-55.68	432.05	2.09	-53.59
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029834150	0	58	0.0	-47.92	428.51	2.76	-45.16
C[N@H+]1CC(C)(C)CC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029834150	1	58	0.0	-48.18	433.04	2.59	-45.59
C[NH+](C)CCCCCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029834152	0	60	0.0	-65.09	458.84	3.45	-61.64
C[NH+]1CCN(CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)CC1	REAL300029834159	1	57	0.0	-61.60	430.98	-0.01	-61.61
CC1C[N@H+](C)CC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)O1	REAL300029834205	1	56	0.0	-88.21	419.62	0.60	-87.61
CC1C[N@@H+](C)CC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)O1	REAL300029834205	1	56	0.0	-65.97	420.00	1.22	-64.75
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300029834232	0	53	0.0	-53.31	407.45	2.37	-50.94
C[N@@H+]1CCCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029834251	0	55	0.0	-53.73	398.63	1.73	-52.00
C[N@H+]1CCCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029834251	1	55	0.0	-55.82	402.02	1.64	-54.18
C[N@@H+]1CCC(=CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)C1	REAL300029834312	0	53	0.0	-62.02	409.63	2.09	-59.93
C[N@H+]1CCC(=CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)C1	REAL300029834312	1	53	0.0	-62.57	410.77	2.07	-60.50
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300029834314	0	51	0.0	-58.82	407.70	-0.22	-59.04
C[NH+](C)C1(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)CCCC1	REAL300029834365	0	58	0.0	-49.36	394.85	2.30	-47.06
CCC1C[NH+](CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)C1	REAL300029834374	1	55	0.0	-55.87	424.45	2.34	-53.53
C[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029834383	0	52	0.0	-50.66	396.17	1.34	-49.32
C[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029834383	1	52	0.0	-59.39	382.13	0.86	-58.53
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)C1	REAL300029834465	0	55	0.0	-60.95	419.96	2.25	-58.70
C[NH+](C)CCC1(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)CC1	REAL300029834473	0	58	0.0	-80.24	438.62	3.11	-77.13
C[N@@H+]1CC=CCC1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029834474	0	56	0.0	-57.48	418.19	2.52	-54.96
C[N@H+]1CC=CCC1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029834474	1	56	0.0	-56.84	418.26	2.54	-54.30
C[NH+](C)CCOCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029834503	0	55	0.0	-61.88	427.87	1.66	-60.22
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2C=CSC2=[NH2+])C1	REAL300029834528	0	48	0.0	-56.00	401.15	0.56	-55.44
C[C@@H](OCC[NH+](C)C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029834561	0	58	0.0	-63.40	436.35	2.01	-61.39
C[N@@H+]1CCCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)C1	REAL300029834587	0	55	0.0	-56.90	407.68	2.15	-54.75
C[N@H+]1CCCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)C1	REAL300029834587	1	55	0.0	-56.90	407.68	2.15	-54.75
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCCCCC2)C1	REAL300029834588	0	58	0.0	-50.64	422.95	2.55	-48.09
CN1C=C[N+](CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)=C1	REAL300029834591	0	50	0.0	-57.87	399.19	4.18	-53.69
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2CCC(O)CC2)C1	REAL300029834610	0	56	0.0	-58.63	425.29	-0.95	-59.58
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300029834610	1	56	0.0	-58.63	425.29	-0.95	-59.58
C[N@H+](CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1)C1CC1	REAL300029834611	0	52	0.0	-51.42	403.53	1.81	-49.61
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[N@@H+]2CCC(F)C2)C1	REAL300029834614	0	55	0.0	-56.06	428.72	2.22	-53.84
CC(CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1)C[NH+](C)C	REAL300029834633	0	57	0.0	-58.96	419.03	2.75	-56.21
CN1CCOCC1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029834652	0	56	0.0	-60.41	424.81	0.22	-60.19
C[N@@H+]1CCOCC1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029834652	1	56	0.0	-59.38	424.76	0.22	-59.16
C[N@H+]1CCOCC1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029834652	1	56	0.0	-59.38	424.76	0.22	-59.16
CC1=CC(N)=NC=C1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029834688	0	51	0.0	-63.34	396.72	-0.22	-63.56
CC1=CC(N)=[NH+]C=C1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029834688	1	51	0.0	-63.34	396.72	-0.22	-63.56
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+]2CCC(C)(O)C2)C1	REAL300029834715	0	56	0.0	-68.72	428.66	-1.71	-70.43
C[NH+]1CC(CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)C1	REAL300029834738	0	52	0.0	-61.98	403.34	1.32	-60.66
C[N@H+](CCO)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029834762	0	55	0.0	-53.76	422.31	-1.46	-55.22
C[N@@H+](CCO)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029834762	1	55	0.0	-53.76	422.31	-1.46	-55.22
C[N@@H+]1CCCCC1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029834777	0	58	0.0	-62.69	427.20	2.83	-59.86
C[N@H+]1CCCCC1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029834777	1	58	0.0	-62.69	427.20	2.83	-59.86
CC1CCN1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029834789	0	52	0.0	-53.21	393.42	1.36	-51.85
CC1CC[N@@H+]1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029834789	1	52	0.0	-49.13	396.36	1.67	-47.46
CC1CC[N@H+]1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029834789	1	52	0.0	-49.13	396.36	1.67	-47.46
C[NH+](C)CC=CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029834795	0	52	0.0	-54.30	407.95	1.74	-52.56
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2CC(C)(C)C2)C1	REAL300029834801	0	55	0.0	-55.75	422.39	2.10	-53.65
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CC(C)(C)C2)C1	REAL300029834801	1	55	0.0	-55.75	422.39	2.10	-53.65
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+]2CCCC2CO)C1	REAL300029834836	0	56	0.0	-54.93	412.93	-1.10	-56.03
CC[NH+](CC)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029834840	0	54	0.0	-52.98	403.60	1.61	-51.37
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCC2)C1	REAL300029834849	1	49	0.0	-58.20	382.09	0.95	-57.25
CC[NH+](CC)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029834877	0	57	0.0	-55.06	425.58	2.14	-52.92
CC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1)[NH+]1CCC1	REAL300029834929	1	52	0.0	-54.03	389.81	1.29	-52.74
CCC(CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1)C[NH+](C)C	REAL300029834934	0	60	0.0	-62.77	431.80	3.22	-59.55
C[NH+](C)CC(C)(C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029834939	0	57	0.0	-63.04	414.09	1.77	-61.27
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029834971	0	55	0.0	-50.46	397.00	1.75	-48.71
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029834971	1	55	0.0	-56.80	397.75	1.80	-55.00
C[NH+](C)CC(O)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1	REAL300029834992	0	55	0.0	-60.79	424.48	-0.42	-61.21
C=CCC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)O)C1)[NH+](C)C	REAL300029835013	0	55	0.0	-65.91	414.51	1.67	-64.24
C[NH+]1CCC(C)(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)CC1	REAL300029835025	0	58	0.0	-72.57	416.14	2.00	-70.57
C[N@@H+]1CCCC1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029835241	0	52	0.0	-72.75	396.79	4.99	-67.76
C[N@H+]1CCCC1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029835241	1	52	0.0	-71.08	396.65	4.97	-66.11
C[N@@H+]1CCOC(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029835265	1	53	0.0	-79.83	399.59	4.20	-75.63
C[N@H+]1CCOC(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029835265	1	53	0.0	-80.08	407.23	4.39	-75.69
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029835421	0	58	0.0	-71.16	424.18	6.35	-64.81
CC(C)[N@H+]1CCCC1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029835421	1	58	0.0	-71.23	424.92	6.52	-64.71
CC1=[NH+]C=CN1CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029835454	1	50	0.0	-70.69	403.01	5.70	-64.99
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3C[NH+]4CCC3CC4)C2)C1	REAL300029835482	0	56	0.0	-80.22	411.48	5.65	-74.57
C[C@@H]1[C@H](C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029835516	0	55	0.0	-77.84	410.01	5.05	-72.79
C[C@@H]1[C@H](C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029835516	1	55	0.0	-77.60	415.15	5.67	-71.93
CC[C@@H]1[C@@H](C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029835518	0	58	0.0	-78.46	426.55	5.62	-72.84
CC[C@@H]1[C@@H](C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029835518	1	58	0.0	-77.90	432.18	5.99	-71.91
CC[N@@H+]1CCOC(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029835525	1	56	0.0	-86.51	425.11	5.06	-81.45
CC[N@H+]1CCOC(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029835525	1	56	0.0	-83.00	424.59	5.03	-77.97
CC[NH+](CC)CC(F)C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029835553	0	57	0.0	-75.44	436.48	6.08	-69.36
CC1CCC(C)[NH+]1CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029835589	0	58	0.0	-69.98	431.79	6.14	-63.84
O=C(CCC[NH+]1CCCC1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029835592	0	58	0.0	-74.92	442.85	6.57	-68.35
O=C(CC[NH+]1CCCCC1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029835595	0	58	0.0	-74.91	438.64	6.57	-68.34
CC[N@@H+]1CCCCC1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029835598	0	58	0.0	-72.07	424.71	6.02	-66.05
CC[N@H+]1CCCCC1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029835598	1	58	0.0	-69.37	432.26	6.26	-63.11
C[NH+](C)C1(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCC1	REAL300029835609	0	55	0.0	-75.26	401.07	4.97	-70.29
CC(C)[C@@H](C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029835616	0	57	0.0	-72.93	417.94	5.59	-67.34
C[N@H+](CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300029835641	0	55	0.0	-71.58	420.83	6.10	-65.48
C[N@@H+](CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300029835641	1	55	0.0	-73.33	420.51	6.08	-67.25
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029835717	1	54	0.0	-72.65	419.81	5.80	-66.85
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029835717	1	54	0.0	-71.24	422.24	6.18	-65.06
C[N@@H+]1CCCC1CCC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029835722	0	58	0.0	-80.49	441.85	6.62	-73.87
C[N@H+]1CCCC1CCC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029835722	1	58	0.0	-73.79	436.54	6.17	-67.62
C[NH+]1CCC(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029835742	0	55	0.0	-80.92	418.73	5.63	-75.29
C[N@@H+]1CCCCC1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029835781	0	55	0.0	-75.83	406.88	5.34	-70.49
C[N@H+]1CCCCC1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029835781	1	55	0.0	-72.21	414.17	5.60	-66.61
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)C2)C1	REAL300029835851	0	50	0.0	-80.82	409.08	7.50	-73.32
O=C(CC[NH+]1CCOCC1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029835858	1	56	0.0	-78.35	429.90	4.15	-74.20
CC1=C[NH+]=CN1CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029835871	1	50	0.0	-73.21	404.37	6.46	-66.75
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1	REAL300029835892	0	56	0.0	-71.28	410.77	5.48	-65.80
C[N@@H+]1CCC(CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029835903	0	55	0.0	-76.87	420.82	5.73	-71.14
C[N@H+]1CCC(CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029835903	1	55	0.0	-78.55	421.28	5.74	-72.81
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029835909	0	54	0.0	-84.16	424.44	4.00	-80.16
CCC(C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029835911	0	54	0.0	-72.53	404.86	5.10	-67.43
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)C2)C1	REAL300029835938	1	50	0.0	-82.23	409.19	7.51	-74.72
C[NH+](C)CCCCC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029835970	0	57	0.0	-76.84	440.00	6.28	-70.56
CC(C)C(C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029835984	0	57	0.0	-72.82	418.13	5.84	-66.98
CCC[N@H+](C)CCC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029835985	0	57	0.0	-76.36	436.21	6.11	-70.25
CCC[N@@H+](C)CCC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029835985	1	57	0.0	-76.36	436.23	6.10	-70.26
CCC[N@H+](C)CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029835989	0	54	0.0	-75.35	413.67	5.51	-69.84
CCC[N@@H+](C)CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029835989	1	54	0.0	-75.34	413.67	5.52	-69.82
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C34CC[N@H+](C3)CCC4)C2)C1	REAL300029836004	0	56	0.0	-78.95	406.86	4.92	-74.03
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C34CC[N@@H+](C3)CCC4)C2)C1	REAL300029836004	1	56	0.0	-80.61	405.99	4.91	-75.70
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836030	0	52	0.0	-74.50	393.27	4.59	-69.91
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836030	1	52	0.0	-72.04	396.39	4.92	-67.12
CC[NH+](CC)CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836065	0	54	0.0	-71.92	410.70	5.47	-66.45
CC1CC[NH+](CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029836126	0	58	0.0	-74.05	437.53	6.61	-67.44
C[NH+](C)CC1(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029836148	0	55	0.0	-75.82	421.36	5.65	-70.17
C[NH+]1CCC(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029836201	0	55	0.0	-80.92	418.73	5.63	-75.29
CC(C)[C@H](C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029836217	0	57	0.0	-72.80	418.47	5.90	-66.90
CCC(C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](CC)CC	REAL300029836245	0	60	0.0	-67.42	435.60	6.26	-61.16
CC[N@H+](C)CCC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836286	0	54	0.0	-75.62	414.70	5.35	-70.27
CC[N@@H+](C)CCC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836286	1	54	0.0	-75.65	414.73	5.36	-70.29
CC1CCC[N@@H+]1CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836316	0	55	0.0	-70.81	419.57	5.79	-65.02
CC1CCC[N@H+]1CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836316	1	55	0.0	-72.62	419.79	5.89	-66.73
CC1CC[N@H+](CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029836318	0	55	0.0	-72.67	419.63	5.79	-66.88
CC1CC[N@@H+](CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029836318	1	55	0.0	-72.98	419.95	5.87	-67.11
CC1(C)CC[N@H+](CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029836322	0	58	0.0	-73.01	440.18	6.37	-66.64
CC1(C)CC[N@@H+](CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029836322	1	58	0.0	-72.77	439.53	6.36	-66.41
C[N@H+](CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC(C)(C)C	REAL300029836323	0	60	0.0	-75.30	442.27	6.51	-68.79
C[N@@H+](CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC(C)(C)C	REAL300029836323	1	60	0.0	-73.39	444.38	6.67	-66.72
CC[C@@H](C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029836331	0	54	0.0	-74.44	404.11	5.11	-69.33
C[NH+](C)CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836435	0	48	0.0	-74.25	374.64	4.12	-70.13
O=C(C[NH+]1CCCCCC1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836439	0	58	0.0	-72.95	425.73	6.17	-66.78
CN1C=C[N+](CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300029836442	0	50	0.0	-73.34	405.67	7.62	-65.72
C[N@@H+]1CCCC(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029836447	0	55	0.0	-73.52	410.51	5.76	-67.76
C[N@H+]1CCCC(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029836447	1	55	0.0	-74.23	408.35	5.52	-68.71
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3CCC[N@@H+]3C3CC3)C2)C1	REAL300029836452	0	56	0.0	-74.68	425.70	6.04	-68.64
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3CCC[N@H+]3C3CC3)C2)C1	REAL300029836452	1	56	0.0	-70.97	422.71	6.31	-64.66
CC(C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCC1	REAL300029836468	0	52	0.0	-73.78	396.03	4.68	-69.10
CCC(CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300029836472	0	60	0.0	-76.46	445.66	6.62	-69.84
C[NH+](C)CC(C)(C)C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836477	0	57	0.0	-75.00	413.10	5.87	-69.13
O=C(C[NH+]1CCC(O)CC1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836492	0	56	0.0	-78.14	427.77	2.64	-75.50
C[N@H+](CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029836493	0	52	0.0	-70.75	403.90	5.53	-65.22
C[N@@H+](CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029836493	1	52	0.0	-71.29	404.04	5.54	-65.75
C[NH+]1CC(CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029836509	0	52	0.0	-75.18	405.92	4.96	-70.22
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836520	0	58	0.0	-71.24	413.69	5.23	-66.01
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836520	1	58	0.0	-70.47	436.15	5.83	-64.64
C[C@@H](C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029836531	0	51	0.0	-73.99	390.25	4.41	-69.58
[NH2+]=C1SC=CN1CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836590	0	48	0.0	-71.87	401.50	4.29	-67.58
C[N@H+](CCO)CCC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836597	0	55	0.0	-75.36	425.08	2.13	-73.23
C[N@@H+](CCO)CCC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836597	1	55	0.0	-74.95	425.01	2.14	-72.81
C[C@@H](C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029836598	0	51	0.0	-73.99	390.25	4.41	-69.58
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836602	0	55	0.0	-73.46	406.92	5.37	-68.09
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836602	1	55	0.0	-70.32	414.08	5.59	-64.73
O=C(C[NH+]1CCC1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836652	1	49	0.0	-75.83	384.73	4.58	-71.25
C[N@@H+]1CCC(=CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029836671	0	53	0.0	-80.23	412.61	5.62	-74.61
C[N@H+]1CCC(=CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029836671	1	53	0.0	-80.14	412.39	5.64	-74.50
C[NH+](C)CCOCC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836694	0	55	0.0	-74.38	430.51	5.24	-69.14
C=CCC(C)(C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029836708	0	58	0.0	-74.00	414.73	5.78	-68.22
C[S+](C)CCC(O)C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836712	0	54	0.0	-79.87	434.71	3.57	-76.30
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836731	0	56	0.0	-81.45	412.74	1.84	-79.61
CC1CN(CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029836750	0	52	0.0	-76.02	404.88	5.29	-70.73
CC1C[NH+](CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029836750	1	52	0.0	-76.02	404.88	5.29	-70.73
CN(CCO)CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836768	0	52	0.0	-76.19	402.52	1.54	-74.65
C[N@H+](CCO)CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836768	1	52	0.0	-74.11	402.45	1.56	-72.55
C[N@@H+](CCO)CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836768	1	52	0.0	-74.11	402.45	1.56	-72.55
CC[N@@H+]1CCCC(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029836788	0	58	0.0	-64.87	425.82	6.30	-58.57
CC[N@H+]1CCCC(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029836788	1	58	0.0	-64.87	425.82	6.30	-58.57
CC(CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300029836790	0	57	0.0	-76.06	431.82	6.14	-69.92
CC[N@H+](C)CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836795	0	51	0.0	-75.08	392.17	4.78	-70.30
CC[N@H+](CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029836828	0	55	0.0	-71.97	415.98	6.01	-65.96
CC[NH+](CC)CCC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836838	0	57	0.0	-74.63	432.58	6.06	-68.57
C[NH+]1CCC(=CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029836848	0	56	0.0	-77.23	427.32	6.37	-70.86
CC1(C)C[NH+](CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029836856	1	55	0.0	-75.78	425.22	5.75	-70.03
CC1(O)CC[N@H+](CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029836874	0	56	0.0	-72.61	430.20	2.53	-70.08
CC1(O)CC[N@@H+](CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029836874	1	56	0.0	-74.07	430.48	2.51	-71.56
C[NH+](C)CC=CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836878	0	52	0.0	-78.80	411.10	5.35	-73.45
CC(OCC[NH+](C)C)C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836887	0	58	0.0	-74.95	445.49	5.73	-69.22
C[NH+](C)CCOCCC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836893	0	58	0.0	-74.61	451.45	4.95	-69.66
COCC[N@H+](C)CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836894	1	55	0.0	-73.99	424.70	3.97	-70.02
COCC[N@@H+](C)CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836894	1	55	0.0	-74.51	424.94	3.96	-70.55
C[NH+](C)C1(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCCC1	REAL300029836914	0	58	0.0	-70.23	408.05	5.27	-64.96
CC(CCC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029836916	0	57	0.0	-78.27	428.28	5.87	-72.40
CC[N@@H+]1CCC1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836922	0	52	0.0	-75.50	405.97	5.04	-70.46
CC[N@H+]1CCC1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836922	1	52	0.0	-75.23	406.18	5.10	-70.13
O=C(C[N@H+]1CCCC1CO)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836935	0	56	0.0	-72.80	424.28	2.18	-70.62
O=C(C[N@@H+]1CCCC1CO)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836935	1	56	0.0	-72.25	420.14	2.65	-69.60
C[NH+]1CCC(C)(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029836957	0	58	0.0	-73.32	421.13	5.61	-67.71
C=CCC(C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029836976	0	55	0.0	-69.86	414.07	5.45	-64.41
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836983	0	58	0.0	-71.71	436.18	6.08	-65.63
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836983	1	58	0.0	-72.22	433.56	5.67	-66.55
C[NH+](C)CCCCCC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836985	0	60	0.0	-76.18	461.50	7.06	-69.12
O=C(C[NH+]1CC2CC2C1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836990	0	53	0.0	-73.59	410.07	6.01	-67.58
CCCC(C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029837006	0	57	0.0	-72.85	424.88	5.87	-66.98
C[NH+](C)C(C)(C)C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029837009	0	54	0.0	-75.21	393.62	4.73	-70.48
C[N@@H+]1CCCCC1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029837035	0	55	0.0	-75.83	406.88	5.34	-70.49
C[N@H+]1CCCCC1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029837035	1	55	0.0	-72.21	414.17	5.60	-66.61
C[N@H+]1CC=C(CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029837059	0	56	0.0	-73.58	433.62	6.46	-67.12
C[N@@H+]1CC=C(CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029837059	1	56	0.0	-73.14	433.71	6.46	-66.68
O=C(C=CC[NH+]1CCCC1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029837099	0	56	0.0	-77.33	434.45	6.38	-70.95
C[NH+](C)C1(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029837130	0	52	0.0	-75.47	394.99	4.67	-70.80
O=C(CC[NH+]1CCCC1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029837132	0	55	0.0	-75.01	422.96	5.87	-69.14
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3C[NH+]4CCN3CC4)C2)C1	REAL300029837156	0	55	0.0	-83.94	406.81	2.25	-81.69
C[N@@H+]1CC2CC1(C(=O)N1CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029837161	0	53	0.0	-79.66	400.77	5.41	-74.25
C[N@H+]1CC2CC1(C(=O)N1CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029837161	1	53	0.0	-76.31	397.81	5.26	-71.05
O=C(C[N@@H+]1CC2CCC1C2)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029837168	0	56	0.0	-73.29	421.36	6.23	-67.06
O=C(C[N@H+]1CC2CCC1C2)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029837168	1	56	0.0	-72.43	418.55	6.01	-66.42
O=C(C[N@@H+]1CC2C=CC1C2)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029837208	1	54	0.0	-70.12	413.46	5.98	-64.14
O=C(C[N@H+]1CC2C=CC1C2)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029837208	1	54	0.0	-69.85	413.89	5.99	-63.86
CC(C[NH+](C)C)C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029837240	0	54	0.0	-75.77	409.28	5.13	-70.64
C[N@@H+]1CCCCC1CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029837290	0	58	0.0	-76.42	433.70	6.32	-70.10
C[N@H+]1CCCCC1CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029837290	1	58	0.0	-67.30	426.37	6.20	-61.10
CC(C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CC(C)C1	REAL300029837300	0	55	0.0	-68.50	423.31	5.63	-62.87
CC1CC[N@@H+]1CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029837302	0	52	0.0	-73.22	400.39	4.93	-68.29
CC1CC[N@H+]1CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029837302	1	52	0.0	-72.59	405.87	5.20	-67.39
C[NH+](C)CC(O)CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029837305	0	55	0.0	-79.29	427.34	3.15	-76.14
CC1C[N@H+](C)CC(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029837325	1	56	0.0	-86.24	421.43	5.10	-81.14
CC1C[N@@H+](C)CC(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029837325	1	56	0.0	-77.60	420.66	4.95	-72.65
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029837372	0	55	0.0	-75.23	424.22	5.83	-69.40
CC(CC[NH+](C)C)C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029837378	0	57	0.0	-76.49	433.99	5.86	-70.63
C[NH+]1CCN(CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029837397	1	57	0.0	-76.49	433.45	3.60	-72.89
NC(=[NH2+])SCC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029837421	0	46	0.0	-76.20	382.56	1.12	-75.08
C[NH+](C)CCC1(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029837450	0	58	0.0	-77.04	446.56	6.48	-70.56
C[N@@H+]1CC=CCC1CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029837451	0	56	0.0	-69.23	420.85	6.14	-63.09
C[N@H+]1CC=CCC1CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029837451	1	56	0.0	-68.83	420.83	6.14	-62.69
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029837464	0	58	0.0	-70.86	445.34	5.63	-65.23
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029837555	0	52	0.0	-72.91	393.21	4.59	-68.32
C[N@H+]1CCC[C@H]1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029837555	1	52	0.0	-72.91	393.21	4.59	-68.32
O=C(CC[N@H+]1CCC(F)C1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029837561	0	55	0.0	-79.81	428.34	5.89	-73.92
CC1C(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029837580	0	55	0.0	-75.91	411.37	5.14	-70.77
CC1C(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029837580	1	55	0.0	-75.91	411.37	5.14	-70.77
CN1CCOCC1CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029837609	0	56	0.0	-70.25	417.59	3.81	-66.44
C[N@@H+]1CCOCC1CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029837609	1	56	0.0	-71.51	417.77	3.81	-67.70
C[N@H+]1CCOCC1CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029837609	1	56	0.0	-71.51	417.77	3.81	-67.70
C[N@@H+]1CCCC1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029837780	0	52	0.0	-71.08	396.65	4.97	-66.11
C[N@H+]1CCCC1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029837780	1	52	0.0	-71.08	396.65	4.97	-66.11
CN1CCOC(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029837806	0	53	0.0	-79.83	399.59	4.20	-75.63
C[N@@H+]1CCOC(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029837806	1	53	0.0	-80.08	407.23	4.39	-75.69
C[N@H+]1CCOC(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029837806	1	53	0.0	-80.08	407.23	4.39	-75.69
O=C(CC[NH+]1CCOCC1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029837959	1	56	0.0	-78.35	429.90	4.15	-74.20
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1	REAL300029837971	0	56	0.0	-71.28	410.77	5.48	-65.80
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)C2)C1	REAL300029837977	1	50	0.0	-82.23	409.19	7.51	-74.72
C[N@@H+]1CCC(CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029838008	0	55	0.0	-76.87	420.82	5.73	-71.14
C[N@H+]1CCC(CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029838008	1	55	0.0	-78.55	421.28	5.74	-72.81
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029838014	0	54	0.0	-84.16	424.44	4.00	-80.16
CCC(C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029838016	0	54	0.0	-72.53	404.86	5.10	-67.43
C[NH+](C)CCCCC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029838054	0	57	0.0	-76.84	440.00	6.28	-70.56
CC(C)C(C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029838070	0	57	0.0	-72.82	418.13	5.84	-66.98
CCC[N@H+](C)CCC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029838071	0	57	0.0	-76.36	436.21	6.11	-70.25
CCC[N@@H+](C)CCC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029838071	1	57	0.0	-76.36	436.23	6.10	-70.26
CCC[N@H+](C)CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029838075	0	54	0.0	-75.35	413.67	5.51	-69.84
CCC[N@@H+](C)CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029838075	1	54	0.0	-75.34	413.67	5.52	-69.82
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C34CC[N@H+](C3)CCC4)C2)C1	REAL300029838090	0	56	0.0	-78.95	406.86	4.92	-74.03
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C34CC[N@@H+](C3)CCC4)C2)C1	REAL300029838090	1	56	0.0	-80.61	405.99	4.91	-75.70
CC1CC[NH+](CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029838123	0	58	0.0	-74.05	437.53	6.61	-67.44
C[NH+](C)CC1(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029838164	0	55	0.0	-75.82	421.36	5.65	-70.17
CC[N@H+](C)CCC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029838183	0	54	0.0	-75.62	414.70	5.35	-70.27
CC[N@@H+](C)CCC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029838183	1	54	0.0	-75.65	414.73	5.36	-70.29
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3C[NH+]4CCC3CC4)C2)C1	REAL300029838201	0	56	0.0	-80.22	411.48	5.65	-74.57
C[NH+]1CCC(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029838250	0	55	0.0	-80.92	418.73	5.63	-75.29
CC(C)[C@H](C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029838266	0	57	0.0	-72.80	418.47	5.90	-66.90
CC[NH+](CC)CC(F)C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029838326	0	57	0.0	-75.44	436.48	6.08	-69.36
C[NH+](C)C1(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCC1	REAL300029838347	0	55	0.0	-75.26	401.07	4.97	-70.29
CCC(C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](CC)CC	REAL300029838375	0	60	0.0	-67.42	435.60	6.26	-61.16
CC1CCC[N@@H+]1CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029838386	0	55	0.0	-70.81	419.57	5.79	-65.02
CC1CCC[N@H+]1CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029838386	1	55	0.0	-72.62	419.79	5.89	-66.73
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029838432	0	58	0.0	-71.16	424.18	6.35	-64.81
CC(C)[N@H+]1CCCC1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029838432	1	58	0.0	-71.23	424.92	6.52	-64.71
CC(C)[C@@H](C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029838441	0	57	0.0	-72.93	417.94	5.59	-67.34
CC1CC[N@H+](CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029838455	0	55	0.0	-72.67	419.63	5.79	-66.88
CC1CC[N@@H+](CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029838455	1	55	0.0	-72.98	419.95	5.87	-67.11
CC1(C)CC[N@H+](CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029838459	0	58	0.0	-73.01	440.18	6.37	-66.64
CC1(C)CC[N@@H+](CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029838459	1	58	0.0	-72.77	439.53	6.36	-66.41
C[N@H+](CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC(C)(C)C	REAL300029838460	0	60	0.0	-75.30	442.27	6.51	-68.79
C[N@@H+](CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC(C)(C)C	REAL300029838460	1	60	0.0	-73.39	444.38	6.67	-66.72
CC[C@@H](C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029838468	0	54	0.0	-74.44	404.11	5.11	-69.33
CC1=[NH+]C=CN1CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029838589	1	50	0.0	-70.69	403.01	5.70	-64.99
CC[N@@H+]1CCOC(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029838653	1	56	0.0	-86.51	425.11	5.06	-81.45
CC[N@H+]1CCOC(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029838653	1	56	0.0	-83.00	424.59	5.03	-77.97
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)C2)C1	REAL300029838683	0	50	0.0	-80.82	409.08	7.50	-73.32
CC1=C[NH+]=CN1CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029838686	1	50	0.0	-73.21	404.37	6.46	-66.75
C[C@@H]1[C@H](C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029838693	0	55	0.0	-77.84	410.01	5.05	-72.79
C[C@@H]1[C@H](C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029838693	1	55	0.0	-77.60	415.15	5.67	-71.93
CC[C@@H]1[C@@H](C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029838695	0	58	0.0	-78.46	426.55	5.62	-72.84
CC[C@@H]1[C@@H](C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029838695	1	58	0.0	-77.90	432.18	5.99	-71.91
CC1CCC(C)[NH+]1CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029838702	0	58	0.0	-69.98	431.79	6.14	-63.84
O=C(CCC[NH+]1CCCC1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029838705	0	58	0.0	-74.92	442.85	6.57	-68.35
O=C(CC[NH+]1CCCCC1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029838709	0	58	0.0	-74.91	438.64	6.57	-68.34
CC[N@@H+]1CCCCC1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029838712	0	58	0.0	-72.07	424.71	6.02	-66.05
CC[N@H+]1CCCCC1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029838712	1	58	0.0	-69.37	432.26	6.26	-63.11
C[N@H+](CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300029838810	0	55	0.0	-71.58	420.83	6.10	-65.48
C[N@@H+](CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300029838810	1	55	0.0	-73.33	420.51	6.08	-67.25
C[NH+]1CCC(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029838841	0	55	0.0	-80.92	418.73	5.63	-75.29
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029838871	0	52	0.0	-74.50	393.27	4.59	-69.91
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029838871	1	52	0.0	-72.04	396.39	4.92	-67.12
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029838889	1	54	0.0	-72.65	419.81	5.80	-66.85
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029838889	1	54	0.0	-71.24	422.24	6.18	-65.06
C[N@@H+]1CCCC1CCC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029838894	0	58	0.0	-80.49	441.85	6.62	-73.87
C[N@H+]1CCCC1CCC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029838894	1	58	0.0	-73.79	436.54	6.17	-67.62
C[N@@H+]1CCCCC1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029838968	0	55	0.0	-75.83	406.88	5.34	-70.49
C[N@H+]1CCCCC1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029838968	1	55	0.0	-72.21	414.17	5.60	-66.61
CC1C(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029839026	0	55	0.0	-75.72	410.77	5.39	-70.33
CC1C(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029839026	1	55	0.0	-75.91	411.37	5.14	-70.77
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839082	0	58	0.0	-71.24	413.69	5.23	-66.01
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839082	1	58	0.0	-70.47	436.15	5.83	-64.64
C[C@@H](C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029839096	0	51	0.0	-73.99	390.25	4.41	-69.58
C=CCC(C)(C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029839110	0	58	0.0	-74.00	414.73	5.78	-68.22
O=C(CC[NH+]1CCCC1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839127	0	55	0.0	-75.01	422.96	5.87	-69.14
C[N@H+](CCO)CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839136	1	52	0.0	-76.19	402.52	1.54	-74.65
C[N@@H+](CCO)CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839136	1	52	0.0	-74.11	402.45	1.56	-72.55
C[N@H+]1CC=C(CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029839194	0	56	0.0	-73.58	433.62	6.46	-67.12
C[N@@H+]1CC=C(CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029839194	1	56	0.0	-73.14	433.71	6.46	-66.68
C[S+](C)CCC(O)C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839204	0	54	0.0	-79.87	434.71	3.57	-76.30
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839217	0	56	0.0	-83.59	412.82	1.91	-81.68
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839217	1	56	0.0	-81.45	412.74	1.84	-79.61
CC1C[NH+](CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029839247	1	52	0.0	-76.02	404.88	5.29	-70.73
CC[N@@H+]1CCCC(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029839253	0	58	0.0	-68.88	426.05	6.32	-62.56
CC[N@H+]1CCCC(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029839253	1	58	0.0	-64.87	425.82	6.30	-58.57
NC1=[NH+]C=CC=C1CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839257	0	51	0.0	-70.44	408.85	3.94	-66.50
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3CCC[N@@H+]3C3CC3)C2)C1	REAL300029839265	0	56	0.0	-74.68	425.70	6.04	-68.64
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3CCC[N@H+]3C3CC3)C2)C1	REAL300029839265	1	56	0.0	-70.97	422.71	6.31	-64.66
O=C(C=CC[NH+]1CCCC1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839295	0	56	0.0	-77.33	434.45	6.38	-70.95
CC[N@H+](C)CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839340	0	51	0.0	-75.08	392.17	4.78	-70.30
O=C(CN1CC2C=CC1C2)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839375	0	54	0.0	-70.12	413.46	5.98	-64.14
O=C(C[N@@H+]1CC2C=CC1C2)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839375	1	54	0.0	-69.85	413.89	5.99	-63.86
O=C(C[N@H+]1CC2C=CC1C2)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839375	1	54	0.0	-69.85	413.89	5.99	-63.86
CC(OCC[NH+](C)C)C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839462	0	58	0.0	-74.95	445.49	5.73	-69.22
C[NH+](C)CCOCCC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839469	0	58	0.0	-74.61	451.45	4.95	-69.66
COCCN(C)CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839471	0	55	0.0	-73.99	424.70	3.97	-70.02
COCC[N@H+](C)CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839471	1	55	0.0	-74.51	424.94	3.96	-70.55
COCC[N@@H+](C)CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839471	1	55	0.0	-74.51	424.94	3.96	-70.55
CC(CCC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029839474	0	57	0.0	-78.27	428.28	5.87	-72.40
CC[N@H+](CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029839490	0	55	0.0	-71.97	415.98	6.01	-65.96
C[N@@H+]1CC2CC1(C(=O)N1CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029839517	0	53	0.0	-76.31	397.81	5.26	-71.05
O=C(C[N@@H+]1CC2CCC1C2)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839526	0	56	0.0	-72.43	418.55	6.01	-66.42
O=C(C[N@H+]1CC2CCC1C2)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839526	1	56	0.0	-72.43	418.55	6.01	-66.42
CC(C[NH+](C)C)C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839541	0	54	0.0	-75.77	409.28	5.13	-70.64
CC[N@@H+]1CCC1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839578	0	52	0.0	-75.23	406.18	5.10	-70.13
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839589	0	60	0.0	-70.74	439.06	4.58	-66.16
CNC1=NC(C)=CC=C1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839616	0	54	0.0	-70.59	423.96	4.68	-65.91
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839616	1	54	0.0	-70.59	423.96	4.68	-65.91
CCCC(C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029839625	0	57	0.0	-72.85	424.88	5.87	-66.98
C[NH+](C)C(C)(C)C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839630	0	54	0.0	-75.21	393.62	4.73	-70.48
CC(CC[NH+](C)C)C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839644	0	57	0.0	-76.49	433.99	5.86	-70.63
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839706	0	58	0.0	-72.22	433.56	5.67	-66.55
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839706	1	58	0.0	-72.22	433.56	5.67	-66.55
C[NH+](C)CCCCCC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839708	0	60	0.0	-76.18	461.50	7.06	-69.12
CN1CCN(CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029839715	0	57	0.0	-76.49	433.45	3.60	-72.89
C[NH+]1CCN(CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029839715	1	57	0.0	-76.49	433.45	3.60	-72.89
CC1CN(C)CC(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029839768	0	56	0.0	-86.24	421.43	5.10	-81.14
CC1C[N@H+](C)CC(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029839768	1	56	0.0	-77.60	420.66	4.95	-72.65
CC1C[N@@H+](C)CC(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029839768	1	56	0.0	-77.60	420.66	4.95	-72.65
O=C(C[NH+]1CC2CC2C1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839799	0	53	0.0	-73.59	410.07	6.01	-67.58
C[N@@H+]1CCCCC1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839826	0	55	0.0	-72.21	414.17	5.60	-66.61
C[N@@H+]1CCC(=CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029839900	0	53	0.0	-80.23	412.61	5.62	-74.61
C[N@H+]1CCC(=CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029839900	1	53	0.0	-80.14	412.39	5.64	-74.50
O=C(CNC1=CC=[NH+]C=C1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839903	0	51	0.0	-74.16	410.35	3.39	-70.77
C[NH+](C)C1(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCCC1	REAL300029839966	0	58	0.0	-70.23	408.05	5.27	-64.96
CCC1C[NH+](CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029839975	0	55	0.0	-74.72	427.30	5.98	-68.74
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839985	0	52	0.0	-72.12	395.74	4.87	-67.25
C[N@H+]1CCC[C@H]1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839985	1	52	0.0	-72.91	393.21	4.59	-68.32
NC1=CC=C(CCC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=[NH+]1	REAL300029840029	0	54	0.0	-73.44	433.65	4.65	-68.79
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029840080	0	55	0.0	-75.23	424.22	5.83	-69.40
C[NH+](C)CCC1(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029840089	0	58	0.0	-77.04	446.56	6.48	-70.56
C[N@@H+]1CC=CCC1CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029840090	0	56	0.0	-69.23	420.85	6.14	-63.09
C[N@H+]1CC=CCC1CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029840090	1	56	0.0	-68.83	420.83	6.14	-62.69
C[NH+](C)CCOCC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029840126	0	55	0.0	-74.38	430.51	5.24	-69.14
[NH2+]=C1SC=CN1CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029840154	0	48	0.0	-71.87	401.50	4.29	-67.58
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029840196	0	58	0.0	-70.86	445.34	5.63	-65.23
C[N@@H+]1CCCC(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029840226	0	55	0.0	-74.23	408.35	5.52	-68.71
C[N@H+]1CCCC(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029840226	1	55	0.0	-74.23	408.35	5.52	-68.71
O=C(C[NH+]1CCCCCC1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029840227	0	58	0.0	-72.95	425.73	6.17	-66.78
CN1C=C[N+](CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300029840231	0	50	0.0	-73.34	405.67	7.62	-65.72
C[N@H+](CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029840256	0	52	0.0	-71.29	404.04	5.54	-65.75
O=C(CC[N@H+]1CCC(F)C1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029840259	0	55	0.0	-79.81	428.34	5.89	-73.92
CC(CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300029840280	0	57	0.0	-76.06	431.82	6.14	-69.92
CN1CCOCC1CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029840299	0	56	0.0	-70.25	417.59	3.81	-66.44
C[N@@H+]1CCOCC1CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029840299	1	56	0.0	-71.51	417.77	3.81	-67.70
C[N@H+]1CCOCC1CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029840299	1	56	0.0	-71.51	417.77	3.81	-67.70
CC1=CC(N)=NC=C1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029840339	0	51	0.0	-78.81	403.70	3.35	-75.46
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029840339	1	51	0.0	-78.81	403.70	3.35	-75.46
CC1(O)CC[N@H+](CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029840369	0	56	0.0	-74.07	430.48	2.51	-71.56
C[NH+]1CC(CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029840397	0	52	0.0	-75.18	405.92	4.96	-70.22
C[N@H+](CCO)CCC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029840427	0	55	0.0	-74.95	425.01	2.14	-72.81
C[N@@H+](CCO)CCC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029840427	1	55	0.0	-74.95	425.01	2.14	-72.81
C[N@@H+]1CCCCC1CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029840445	0	58	0.0	-67.30	426.37	6.20	-61.10
C[N@H+]1CCCCC1CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029840445	1	58	0.0	-67.30	426.37	6.20	-61.10
CC1CC[N@@H+]1CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029840460	0	52	0.0	-72.59	405.87	5.20	-67.39
C[NH+](C)CC=CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029840468	0	52	0.0	-78.80	411.10	5.35	-73.45
CC1(C)CN(CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029840474	0	55	0.0	-75.78	425.22	5.75	-70.03
CC1(C)C[NH+](CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029840474	1	55	0.0	-75.78	425.22	5.75	-70.03
C[NH+](C)CCSCC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029840496	0	55	0.0	-79.90	441.53	6.10	-73.80
O=C(C[N@H+]1CCCC1CO)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029840515	0	56	0.0	-72.25	420.14	2.65	-69.60
CC[NH+](CC)CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029840519	0	54	0.0	-71.92	410.70	5.47	-66.45
O=C(CN1CCC1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029840528	0	49	0.0	-75.83	384.73	4.58	-71.25
O=C(C[NH+]1CCC1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029840528	1	49	0.0	-75.83	384.73	4.58	-71.25
CC[NH+](CC)CCC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029840559	0	57	0.0	-74.63	432.58	6.06	-68.57
CCC(CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300029840623	0	60	0.0	-76.46	445.66	6.62	-69.84
C[NH+](C)CC(C)(C)C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029840629	0	57	0.0	-75.00	413.10	5.87	-69.13
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029840666	0	55	0.0	-70.32	414.08	5.59	-64.73
C[NH+](C)CC(O)CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029840690	0	55	0.0	-79.29	427.34	3.15	-76.14
C=CCC(C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029840712	0	55	0.0	-69.86	414.07	5.45	-64.41
C[NH+]1CCC(C)(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029840725	0	58	0.0	-73.32	421.13	5.61	-67.71
C[NH+](C)CCSCC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029840788	0	55	0.0	-79.90	441.53	6.10	-73.80
C[N@@H+]1CCCC1C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029840952	0	52	0.0	-67.49	384.25	3.89	-63.60
C[N@H+]1CCCC1C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029840952	1	52	0.0	-68.12	384.99	3.93	-64.19
C[N@@H+]1CCOC(C(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029840976	1	53	0.0	-80.19	407.88	3.32	-76.87
C[N@H+]1CCOC(C(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029840976	1	53	0.0	-69.92	395.28	3.67	-66.25
CC(C)[N@@H+]1CCCC1C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029841132	0	58	0.0	-66.39	428.44	4.96	-61.43
CC(C)[N@H+]1CCCC1C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029841132	1	58	0.0	-65.70	429.35	4.97	-60.73
CC1=[NH+]C=CN1CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029841165	1	50	0.0	-64.88	393.91	4.93	-59.95
O=C(NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1C[NH+]2CCC1CC2	REAL300029841193	0	56	0.0	-73.27	410.76	4.65	-68.62
C[C@@H]1[C@H](C(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC[N@@H+]1C	REAL300029841227	0	55	0.0	-71.18	401.17	4.34	-66.84
C[C@@H]1[C@H](C(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC[N@H+]1C	REAL300029841227	1	55	0.0	-69.06	406.91	4.85	-64.21
CC[C@@H]1[C@@H](C(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC[N@@H+]1C	REAL300029841229	0	58	0.0	-69.81	421.68	5.02	-64.79
CC[C@@H]1[C@@H](C(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC[N@H+]1C	REAL300029841229	1	58	0.0	-68.48	426.40	5.36	-63.12
CC[N@@H+]1CCOC(C(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029841236	1	56	0.0	-77.87	424.77	3.95	-73.92
CC[N@H+]1CCOC(C(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029841236	1	56	0.0	-78.34	425.65	3.96	-74.38
CC[NH+](CC)CC(F)C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029841264	0	57	0.0	-74.20	432.89	4.89	-69.31
CC1CCC(C)[NH+]1CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029841300	0	58	0.0	-67.26	426.88	4.75	-62.51
O=C(CCC[NH+]1CCCC1)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029841303	0	58	0.0	-71.77	439.40	5.41	-66.36
O=C(CC[NH+]1CCCCC1)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029841306	0	58	0.0	-71.81	433.79	5.27	-66.54
CC[N@@H+]1CCCCC1C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029841309	0	58	0.0	-65.05	430.28	5.12	-59.93
CC[N@H+]1CCCCC1C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029841309	1	58	0.0	-64.89	424.08	5.60	-59.29
C[NH+](C)C1(C(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CCC1	REAL300029841320	0	55	0.0	-63.92	397.90	4.92	-59.00
CC(C)[C@@H](C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+](C)C	REAL300029841327	0	57	0.0	-69.17	409.90	5.48	-63.69
C[N@H+](CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CCC1	REAL300029841352	0	55	0.0	-68.29	410.68	5.35	-62.94
C[N@@H+](CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CCC1	REAL300029841352	1	55	0.0	-65.41	410.71	5.30	-60.11
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029841428	1	54	0.0	-67.40	417.15	4.64	-62.76
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029841428	1	54	0.0	-69.10	420.93	5.14	-63.96
C[N@@H+]1CCCC1CCC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029841433	0	58	0.0	-69.05	431.81	5.80	-63.25
C[N@H+]1CCCC1CCC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029841433	1	58	0.0	-69.95	424.12	5.36	-64.59
C[NH+]1CCC(C(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029841453	0	55	0.0	-73.58	409.17	5.01	-68.57
C[N@@H+]1CCCCC1C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029841492	0	55	0.0	-67.51	403.16	4.30	-63.21
C[N@H+]1CCCCC1C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029841492	1	55	0.0	-66.10	407.30	4.96	-61.14
O=C(NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CN2C=[NH+]C=C2C=C1	REAL300029841562	0	50	0.0	-68.22	394.63	6.83	-61.39
O=C(CC[NH+]1CCOCC1)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029841569	1	56	0.0	-70.55	419.71	3.32	-67.23
CC1=C[NH+]=CN1CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029841582	1	50	0.0	-66.30	394.24	5.65	-60.65
O=C(NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C12CCC[NH+]1CCC2	REAL300029841603	0	56	0.0	-65.41	409.10	5.30	-60.11
C[N@@H+]1CCC(CC(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029841614	0	55	0.0	-72.54	411.62	4.98	-67.56
C[N@H+]1CCC(CC(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029841614	1	55	0.0	-71.42	411.04	4.95	-66.47
CN(C)C1=CC=[NH+]C=C1C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029841620	0	54	0.0	-69.57	415.19	4.11	-65.46
CCC(C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+](C)C	REAL300029841622	0	54	0.0	-64.06	394.82	4.35	-59.71
O=C(NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC2=C[NH+]=CN2C=C1	REAL300029841649	1	50	0.0	-70.28	394.90	6.82	-63.46
C[NH+](C)CCCCC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029841681	0	57	0.0	-73.75	434.93	5.02	-68.73
CC(C)C(C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+](C)C	REAL300029841695	0	57	0.0	-70.12	417.00	5.09	-65.03
CCC[N@H+](C)CCC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029841696	0	57	0.0	-73.10	431.37	4.80	-68.30
CCC[N@@H+](C)CCC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029841696	1	57	0.0	-73.25	431.37	4.80	-68.45
CCC[N@H+](C)CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029841700	0	54	0.0	-70.52	403.82	4.77	-65.75
CCC[N@@H+](C)CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029841700	1	54	0.0	-67.34	403.71	4.71	-62.63
O=C(NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C12CC[N@H+](C1)CCC2	REAL300029841715	0	56	0.0	-72.67	412.41	4.09	-68.58
O=C(NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C12CC[N@@H+](C1)CCC2	REAL300029841715	1	56	0.0	-67.14	406.04	4.52	-62.62
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029841741	0	52	0.0	-68.02	384.98	3.93	-64.09
C[N@H+]1CCC[C@@H]1C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029841741	1	52	0.0	-67.46	395.45	3.97	-63.49
CC[NH+](CC)CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029841776	0	54	0.0	-65.72	400.04	4.67	-61.05
CC1CC[NH+](CC(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029841837	0	58	0.0	-70.66	427.79	5.87	-64.79
C[NH+](C)CC1(C(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029841859	0	55	0.0	-68.94	419.72	4.90	-64.04
C[NH+]1CCC(C(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029841912	0	55	0.0	-73.58	409.17	5.01	-68.57
CC(C)[C@H](C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+](C)C	REAL300029841928	0	57	0.0	-66.11	408.31	5.38	-60.73
CCC(C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+](CC)CC	REAL300029841956	0	60	0.0	-66.07	432.16	4.89	-61.18
CC[N@H+](C)CCC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029841997	0	54	0.0	-72.37	409.88	4.06	-68.31
CC[N@@H+](C)CCC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029841997	1	54	0.0	-72.56	409.88	4.05	-68.51
CC1CCC[N@@H+]1CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842027	0	55	0.0	-68.76	414.89	4.66	-64.10
CC1CCC[N@H+]1CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842027	1	55	0.0	-68.52	414.44	4.53	-63.99
CC1CC[N@H+](CC(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029842029	0	55	0.0	-69.47	410.81	5.02	-64.45
CC1CC[N@@H+](CC(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029842029	1	55	0.0	-66.25	410.19	5.07	-61.18
CC1(C)CC[N@H+](CC(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029842033	0	58	0.0	-70.66	434.85	5.09	-65.57
CC1(C)CC[N@@H+](CC(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029842033	1	58	0.0	-70.40	434.56	5.11	-65.29
C[N@H+](CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)CC(C)(C)C	REAL300029842034	0	60	0.0	-69.85	435.07	5.96	-63.89
C[N@@H+](CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)CC(C)(C)C	REAL300029842034	1	60	0.0	-70.01	434.55	5.91	-64.10
CC[C@@H](C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+](C)C	REAL300029842042	0	54	0.0	-64.07	394.66	4.33	-59.74
C[NH+](C)CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842146	0	48	0.0	-70.95	365.22	3.39	-67.56
O=C(C[NH+]1CCCCCC1)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842150	0	58	0.0	-71.03	420.74	4.90	-66.13
CN1C=C[N+](CC(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)=C1	REAL300029842153	0	50	0.0	-68.43	400.80	6.38	-62.05
C[N@@H+]1CCCC(C(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029842158	0	55	0.0	-70.74	415.22	4.49	-66.25
C[N@H+]1CCCC(C(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029842158	1	55	0.0	-63.64	402.71	5.12	-58.52
O=C(NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CCC[N@@H+]1C1CC1	REAL300029842163	0	56	0.0	-73.00	420.17	4.87	-68.13
O=C(NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CCC[N@H+]1C1CC1	REAL300029842163	1	56	0.0	-65.11	422.82	5.26	-59.85
CC(C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+]1CCC1	REAL300029842179	1	52	0.0	-67.93	392.35	4.39	-63.54
CCC(CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C[NH+](C)C	REAL300029842183	0	60	0.0	-64.18	439.74	5.95	-58.23
C[NH+](C)CC(C)(C)C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842188	0	57	0.0	-65.25	412.50	5.06	-60.19
O=C(C[NH+]1CCC(O)CC1)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842203	1	56	0.0	-75.57	422.61	1.37	-74.20
C[N@H+](CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CC1	REAL300029842204	0	52	0.0	-68.55	399.05	4.26	-64.29
C[N@@H+](CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CC1	REAL300029842204	1	52	0.0	-64.84	393.86	4.72	-60.12
C[NH+]1CC(CC(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029842220	0	52	0.0	-72.78	401.01	3.70	-69.08
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842231	0	58	0.0	-63.90	408.34	4.33	-59.57
CC(C)(C)[N@H+]1CCC1C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842231	1	58	0.0	-66.73	426.69	5.11	-61.62
C[C@@H](C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+](C)C	REAL300029842242	0	51	0.0	-69.35	382.52	3.77	-65.58
[NH2+]=C1SC=CN1CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842301	0	48	0.0	-64.38	391.55	3.48	-60.90
C[N@H+](CCO)CCC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842308	0	55	0.0	-72.78	420.23	0.84	-71.94
C[N@@H+](CCO)CCC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842308	1	55	0.0	-71.72	420.21	0.82	-70.90
C[C@@H](C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+](C)C	REAL300029842309	0	51	0.0	-69.35	382.52	3.77	-65.58
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842313	0	55	0.0	-68.55	403.10	4.30	-64.25
C[N@H+]1CCCC[C@@H]1C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842313	1	55	0.0	-68.30	412.61	4.47	-63.83
O=C(C[NH+]1CCC1)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842363	1	49	0.0	-67.25	374.85	3.78	-63.47
C[N@@H+]1CCC(=CC(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029842382	0	53	0.0	-73.10	402.48	4.94	-68.16
C[N@H+]1CCC(=CC(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029842382	1	53	0.0	-73.08	402.90	4.97	-68.11
C[NH+](C)CCOCC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842405	0	55	0.0	-68.63	420.32	4.37	-64.26
C=CCC(C)(C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+](C)C	REAL300029842419	0	58	0.0	-64.74	425.11	4.89	-59.85
C[S+](C)CCC(O)C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842423	0	54	0.0	-64.51	429.29	2.97	-61.54
C[N@@H+]1CC(O)CC1(C)C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842442	0	56	0.0	-77.17	416.23	1.02	-76.15
CC1CN(CC(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029842461	0	52	0.0	-70.37	395.56	4.45	-65.92
CC1C[NH+](CC(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029842461	1	52	0.0	-70.37	395.56	4.45	-65.92
CN(CCO)CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842479	0	52	0.0	-71.21	392.68	0.80	-70.41
C[N@H+](CCO)CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842479	1	52	0.0	-67.47	392.61	0.75	-66.72
C[N@@H+](CCO)CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842479	1	52	0.0	-67.47	392.61	0.75	-66.72
CC[N@@H+]1CCCC(C(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029842499	0	58	0.0	-69.11	432.73	5.15	-63.96
CC[N@H+]1CCCC(C(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029842499	1	58	0.0	-69.11	432.73	5.15	-63.96
CC(CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C[NH+](C)C	REAL300029842501	0	57	0.0	-68.84	421.43	5.29	-63.55
CC[N@H+](C)CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842506	0	51	0.0	-66.95	382.21	3.97	-62.98
CC[N@H+](CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CC1	REAL300029842539	0	55	0.0	-68.40	415.62	4.89	-63.51
CC[NH+](CC)CCC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842549	0	57	0.0	-67.49	418.05	4.93	-62.56
CC1(O)CC[N@H+](CC(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029842585	0	56	0.0	-67.55	420.74	1.71	-65.84
C[NH+](C)CC=CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842589	0	52	0.0	-70.13	400.41	4.52	-65.61
CC(OCC[NH+](C)C)C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842598	0	58	0.0	-70.27	440.08	5.17	-65.10
C[NH+](C)CCOCCC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842604	0	58	0.0	-72.38	446.39	3.66	-68.72
COCCN(C)CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842605	0	55	0.0	-67.44	414.86	3.16	-64.28
COCC[N@H+](C)CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842605	1	55	0.0	-71.36	414.94	3.20	-68.16
COCC[N@@H+](C)CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842605	1	55	0.0	-71.36	414.94	3.20	-68.16
C[NH+](C)C1(C(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CCCC1	REAL300029842625	0	58	0.0	-72.50	411.33	5.51	-66.99
CC(CCC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+](C)C	REAL300029842627	0	57	0.0	-75.52	423.21	4.60	-70.92
CCN1CCC1C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842633	0	52	0.0	-65.81	396.10	4.29	-61.52
CC[N@@H+]1CCC1C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842633	1	52	0.0	-70.10	401.13	3.90	-66.20
CC[N@H+]1CCC1C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842633	1	52	0.0	-70.10	401.13	3.90	-66.20
O=C(C[N@H+]1CCCC1CO)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842646	0	56	0.0	-66.44	410.47	1.90	-64.54
C[NH+]1CCC(C)(C(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029842668	0	58	0.0	-71.28	421.84	5.44	-65.84
C=CCC(C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+](C)C	REAL300029842687	0	55	0.0	-66.55	411.53	4.97	-61.58
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842694	0	58	0.0	-70.16	425.37	4.99	-65.17
C[NH+](C)CCCCCC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842696	0	60	0.0	-73.18	456.43	5.80	-67.38
CCCC(C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+](C)C	REAL300029842717	0	57	0.0	-67.43	419.72	5.27	-62.16
C[NH+](C)C(C)(C)C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842720	0	54	0.0	-74.54	396.89	4.05	-70.49
C[N@@H+]1CCCCC1C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842746	0	55	0.0	-66.10	407.30	4.96	-61.14
C[N@H+]1CC=C(CC(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029842770	0	56	0.0	-68.65	429.57	5.18	-63.47
C[N@@H+]1CC=C(CC(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029842770	1	56	0.0	-68.65	429.57	5.18	-63.47
O=C(C=CC[NH+]1CCCC1)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842810	0	56	0.0	-73.57	432.09	5.26	-68.31
O=C(CC[NH+]1CCCC1)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842843	0	55	0.0	-71.97	417.90	4.60	-67.37
O=C(NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1C[NH+]2CCN1CC2	REAL300029842867	0	55	0.0	-72.48	401.34	1.86	-70.62
C[N@@H+]1CC2CC1(C(=O)NC1CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC31)C2	REAL300029842872	0	53	0.0	-68.88	395.14	4.59	-64.29
C[N@H+]1CC2CC1(C(=O)NC1CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC31)C2	REAL300029842872	1	53	0.0	-72.16	402.12	3.95	-68.21
O=C(C[N@@H+]1CC2CCC1C2)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842879	0	56	0.0	-68.94	413.48	4.76	-64.18
O=C(C[N@H+]1CC2CCC1C2)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842879	1	56	0.0	-64.19	408.77	5.25	-58.94
O=C(C[N@@H+]1CC2C=CC1C2)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842919	1	54	0.0	-66.66	403.72	5.23	-61.43
O=C(C[N@H+]1CC2C=CC1C2)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842919	1	54	0.0	-68.39	409.84	4.87	-63.52
CC(C[NH+](C)C)C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842951	0	54	0.0	-72.50	408.03	4.15	-68.35
C[N@@H+]1CCCCC1CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029843001	0	58	0.0	-65.80	416.70	5.44	-60.36
C[N@H+]1CCCCC1CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029843001	1	58	0.0	-63.60	416.76	5.43	-58.17
CC(C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+]1CC(C)C1	REAL300029843011	1	55	0.0	-64.60	413.43	5.00	-59.60
CC1CC[N@@H+]1CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029843013	1	52	0.0	-68.27	390.36	4.18	-64.09
CC1CC[N@H+]1CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029843013	1	52	0.0	-69.16	401.80	3.96	-65.20
C[NH+](C)CC(O)CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029843016	0	55	0.0	-75.81	422.17	1.90	-73.91
CC1C[N@H+](C)CC(C(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)O1	REAL300029843036	1	56	0.0	-81.29	421.82	3.63	-77.66
CC1C[N@@H+](C)CC(C(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)O1	REAL300029843036	1	56	0.0	-83.48	428.20	4.04	-79.44
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029843083	0	55	0.0	-68.92	414.72	5.11	-63.81
CC(CC[NH+](C)C)C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029843089	0	57	0.0	-72.73	429.61	4.77	-67.96
C[NH+]1CCN(CC(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029843108	1	57	0.0	-67.93	423.88	2.84	-65.09
NC(=[NH2+])SCC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029843132	0	46	0.0	-72.87	378.10	-0.26	-73.13
C[NH+](C)CCC1(C(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300029843161	0	58	0.0	-66.72	438.58	5.76	-60.96
C[N@@H+]1CC=CCC1CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029843162	0	56	0.0	-73.09	421.67	4.93	-68.16
C[N@H+]1CC=CCC1CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029843162	1	56	0.0	-66.26	411.17	5.37	-60.89
C[C@@H](OCC[NH+](C)C)C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029843175	0	58	0.0	-67.86	439.94	5.06	-62.80
CCC1CN(CC(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029843261	0	55	0.0	-71.14	417.24	5.25	-65.89
CCC1C[NH+](CC(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300029843261	1	55	0.0	-71.14	417.24	5.25	-65.89
C[N@@H+]1CCC[C@H]1C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029843266	0	52	0.0	-64.54	384.34	3.84	-60.70
O=C(CC[N@H+]1CCC(F)C1)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029843272	0	55	0.0	-75.21	424.49	4.61	-70.60
CC1C(C(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC[N@@H+]1C	REAL300029843291	0	55	0.0	-69.69	402.67	4.58	-65.11
CC1C(C(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC[N@H+]1C	REAL300029843291	1	55	0.0	-69.69	402.67	4.58	-65.11
CN1CCOCC1CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029843320	0	56	0.0	-66.27	413.58	2.56	-63.71
C[N@@H+]1CCOCC1CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029843320	1	56	0.0	-66.56	408.14	3.05	-63.51
C[N@H+]1CCOCC1CC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029843320	1	56	0.0	-66.56	408.14	3.05	-63.51
C[N@@H+]1CCCC1C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029843491	0	52	0.0	-71.45	396.31	3.89	-67.56
CN1CCOC(C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029843517	0	53	0.0	-70.62	400.60	3.79	-66.83
C[N@@H+]1CCOC(C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029843517	1	53	0.0	-81.71	400.96	3.75	-77.96
C[N@H+]1CCOC(C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029843517	1	53	0.0	-81.71	400.96	3.75	-77.96
O=C(CCN1CCOCC1)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029843670	0	56	0.0	-79.03	428.62	3.02	-76.01
O=C(CC[NH+]1CCOCC1)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029843670	1	56	0.0	-79.03	428.62	3.02	-76.01
O=C(NC1CCCC2CN(C(=O)C34CCC[NH+]3CCC4)CC21)C1=CC(=O)[N-]O1	REAL300029843682	0	56	0.0	-67.87	404.05	4.89	-62.98
O=C(NC1CCCC2CN(C(=O)C3=CC4=CN=CN4C=C3)CC21)C1=CC(=O)[N-]O1	REAL300029843688	0	50	0.0	-76.49	401.95	6.90	-69.59
O=C(NC1CCCC2CN(C(=O)C3=CC4=C[NH+]=CN4C=C3)CC21)C1=CC(=O)[N-]O1	REAL300029843688	1	50	0.0	-76.49	401.95	6.90	-69.59
C[N@@H+]1CCC(CC(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029843719	0	55	0.0	-76.61	420.34	4.65	-71.96
C[N@H+]1CCC(CC(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029843719	1	55	0.0	-76.61	420.34	4.65	-71.96
CCC(C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300029843727	0	54	0.0	-70.02	394.64	4.47	-65.55
C[NH+](C)CCCCC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029843765	0	57	0.0	-77.82	438.72	5.15	-72.67
CC(C)C(C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300029843781	0	57	0.0	-64.56	405.05	4.87	-59.69
CCC[N@H+](C)CCC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029843782	0	57	0.0	-77.10	434.95	4.97	-72.13
CCC[N@@H+](C)CCC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029843782	1	57	0.0	-77.10	434.95	4.97	-72.13
CCC[N@H+](C)CC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029843786	0	54	0.0	-69.48	404.29	4.90	-64.58
CCC[N@@H+](C)CC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029843786	1	54	0.0	-69.48	404.29	4.90	-64.58
O=C(NC1CCCC2CN(C(=O)C34CC[N@H+](C3)CCC4)CC21)C1=CC(=O)[N-]O1	REAL300029843801	0	56	0.0	-77.42	405.46	3.82	-73.60
O=C(NC1CCCC2CN(C(=O)C34CC[N@@H+](C3)CCC4)CC21)C1=CC(=O)[N-]O1	REAL300029843801	1	56	0.0	-77.42	405.46	3.82	-73.60
CC1CC[NH+](CC(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029843834	0	58	0.0	-74.34	436.36	5.49	-68.85
C[NH+](C)CC1(C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029843875	0	55	0.0	-81.51	411.60	5.28	-76.23
CC[N@H+](C)CCC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029843894	0	54	0.0	-76.29	413.52	4.26	-72.03
CC[N@@H+](C)CCC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029843894	1	54	0.0	-74.19	407.25	4.72	-69.47
O=C(NC1CCCC2CN(C(=O)C3C[NH+]4CCC3CC4)CC21)C1=CC(=O)[N-]O1	REAL300029843912	0	56	0.0	-82.02	410.33	4.56	-77.46
C[NH+]1CCC(C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029843961	0	55	0.0	-64.78	408.62	5.03	-59.75
CC(C)[C@H](C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300029843977	0	57	0.0	-68.11	412.81	5.04	-63.07
CC[NH+](CC)CC(F)C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029844037	0	57	0.0	-74.72	424.06	5.25	-69.47
C[NH+](C)C1(C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CCC1	REAL300029844058	0	55	0.0	-76.94	400.27	3.99	-72.95
CCC(C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](CC)CC	REAL300029844086	0	60	0.0	-63.39	426.48	5.62	-57.77
CC1CCC[N@@H+]1CC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029844097	0	55	0.0	-68.14	406.06	4.81	-63.33
CC1CCC[N@H+]1CC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029844097	1	55	0.0	-70.54	411.22	4.36	-66.18
CC(C)[N@@H+]1CCCC1C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029844143	0	58	0.0	-66.75	421.98	5.25	-61.50
CC(C)[N@H+]1CCCC1C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029844143	1	58	0.0	-67.76	417.71	5.69	-62.07
CC(C)[C@@H](C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300029844152	0	57	0.0	-72.23	415.48	4.70	-67.53
CC1CC[N@H+](CC(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029844166	0	55	0.0	-70.92	413.56	5.23	-65.69
CC1CC[N@@H+](CC(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029844166	1	55	0.0	-70.64	412.75	5.10	-65.54
CC1(C)CC[N@H+](CC(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029844170	0	58	0.0	-73.86	438.01	5.21	-68.65
CC1(C)CC[N@@H+](CC(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029844170	1	58	0.0	-73.28	437.40	5.22	-68.06
C[N@H+](CC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)CC(C)(C)C	REAL300029844171	0	60	0.0	-73.53	442.80	5.48	-68.05
C[N@@H+](CC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)CC(C)(C)C	REAL300029844171	1	60	0.0	-70.89	437.64	6.03	-64.86
CC[C@@H](C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300029844179	0	54	0.0	-72.34	397.33	4.55	-67.79
CC1=[NH+]C=CN1CC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029844300	1	50	0.0	-68.96	396.92	5.07	-63.89
CC[N@@H+]1CCOC(C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029844364	1	56	0.0	-67.20	416.40	3.75	-63.45
CC[N@H+]1CCOC(C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029844364	1	56	0.0	-75.94	418.85	4.43	-71.51
O=C(NC1CCCC2CN(C(=O)C3=CN4C=[NH+]C=C4C=C3)CC21)C1=CC(=O)[N-]O1	REAL300029844394	0	50	0.0	-78.88	402.42	6.84	-72.04
CC1=C[NH+]=CN1CC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029844397	1	50	0.0	-68.22	394.82	5.83	-62.39
C[C@@H]1[C@H](C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC[N@@H+]1C	REAL300029844404	0	55	0.0	-78.80	403.02	4.44	-74.36
C[C@@H]1[C@H](C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC[N@H+]1C	REAL300029844404	1	55	0.0	-76.45	413.83	4.56	-71.89
CC[C@@H]1[C@@H](C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC[N@@H+]1C	REAL300029844406	0	58	0.0	-77.95	426.92	4.55	-73.40
CC[C@@H]1[C@@H](C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC[N@H+]1C	REAL300029844406	1	58	0.0	-77.07	430.65	4.93	-72.14
CC1CCC(C)[NH+]1CC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029844413	0	58	0.0	-69.74	430.41	4.89	-64.85
O=C(CCC[NH+]1CCCC1)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029844416	0	58	0.0	-73.54	434.89	6.05	-67.49
O=C(CC[NH+]1CCCCC1)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029844420	0	58	0.0	-75.43	437.43	5.46	-69.97
CC[N@@H+]1CCCCC1C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029844423	0	58	0.0	-68.66	430.74	5.17	-63.49
CC[N@H+]1CCCCC1C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029844423	1	58	0.0	-69.77	419.27	4.73	-65.04
C[N@H+](CC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C1CCC1	REAL300029844521	0	55	0.0	-69.58	413.72	5.45	-64.13
C[N@@H+](CC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C1CCC1	REAL300029844521	1	55	0.0	-69.24	413.62	5.42	-63.82
C[NH+]1CCC(C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029844552	0	55	0.0	-64.78	408.62	5.03	-59.75
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029844582	0	52	0.0	-72.98	386.36	4.01	-68.97
C[N@H+]1CCC[C@@H]1C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029844582	1	52	0.0	-70.74	395.85	3.87	-66.87
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029844600	1	54	0.0	-71.25	417.73	4.70	-66.55
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029844600	1	54	0.0	-69.00	416.63	5.51	-63.49
C[N@@H+]1CCCC1CCC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029844605	0	58	0.0	-79.31	440.64	5.53	-73.78
C[N@H+]1CCCC1CCC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029844605	1	58	0.0	-71.79	429.37	5.48	-66.31
C[N@@H+]1CCCCC1C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029844679	0	55	0.0	-69.99	414.14	4.54	-65.45
C[N@H+]1CCCCC1C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029844679	1	55	0.0	-74.54	400.33	4.76	-69.78
CC1C(C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC[N@@H+]1C	REAL300029844737	0	55	0.0	-78.75	403.48	4.44	-74.31
CC1C(C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC[N@H+]1C	REAL300029844737	1	55	0.0	-70.56	404.62	4.53	-66.03
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029844793	0	58	0.0	-69.79	428.25	5.09	-64.70
CC(C)(C)[N@H+]1CCC1C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029844793	1	58	0.0	-68.12	425.29	5.14	-62.98
C[C@@H](C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300029844807	0	51	0.0	-70.73	384.37	3.78	-66.95
C=CCC(C)(C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300029844821	0	58	0.0	-74.23	411.37	4.92	-69.31
O=C(CC[NH+]1CCCC1)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029844838	0	55	0.0	-75.75	421.68	4.74	-71.01
C[N@H+](CCO)CC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029844847	1	52	0.0	-71.76	395.58	0.90	-70.86
C[N@@H+](CCO)CC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029844847	1	52	0.0	-70.34	391.50	0.88	-69.46
C[N@H+]1CC=C(CC(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029844905	0	56	0.0	-73.18	431.71	5.34	-67.84
C[N@@H+]1CC=C(CC(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029844905	1	56	0.0	-70.90	431.67	5.33	-65.57
C[S+](C)CCC(O)C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029844915	0	54	0.0	-82.62	424.98	2.92	-79.70
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029844928	0	56	0.0	-78.80	411.62	0.73	-78.07
C[N@H+]1CC(O)CC1(C)C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029844928	1	56	0.0	-69.57	414.09	0.51	-69.06
CC1C[NH+](CC(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029844958	1	52	0.0	-74.60	403.61	4.17	-70.43
CC[N@@H+]1CCCC(C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029844964	0	58	0.0	-75.88	434.94	5.14	-70.74
CC[N@H+]1CCCC(C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029844964	1	58	0.0	-66.15	425.14	5.29	-60.86
NC1=[NH+]C=CC=C1CC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029844968	0	51	0.0	-68.15	399.30	3.31	-64.84
O=C(NC1CCCC2CN(C(=O)C3CCC[N@@H+]3C3CC3)CC21)C1=CC(=O)[N-]O1	REAL300029844976	0	56	0.0	-74.19	423.40	4.92	-69.27
O=C(NC1CCCC2CN(C(=O)C3CCC[N@H+]3C3CC3)CC21)C1=CC(=O)[N-]O1	REAL300029844976	1	56	0.0	-73.37	423.65	4.93	-68.44
O=C(C=CC[NH+]1CCCC1)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029845006	0	56	0.0	-75.82	426.62	5.87	-69.95
CC[N@H+](C)CC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029845051	0	51	0.0	-69.35	382.79	4.16	-65.19
O=C(CN1CC2C=CC1C2)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029845086	0	54	0.0	-68.67	406.54	5.37	-63.30
O=C(C[N@@H+]1CC2C=CC1C2)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029845086	1	54	0.0	-70.03	411.66	4.84	-65.19
O=C(C[N@H+]1CC2C=CC1C2)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029845086	1	54	0.0	-70.03	411.66	4.84	-65.19
CC(OCC[NH+](C)C)C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029845173	0	58	0.0	-73.14	434.19	4.98	-68.16
C[NH+](C)CCOCCC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029845180	0	58	0.0	-75.47	450.17	3.83	-71.64
COCCN(C)CC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029845182	0	55	0.0	-70.43	413.75	3.28	-67.15
COCC[N@H+](C)CC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029845182	1	55	0.0	-72.00	417.84	3.30	-68.70
COCC[N@@H+](C)CC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029845182	1	55	0.0	-72.00	417.84	3.30	-68.70
CC(CCC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300029845185	0	57	0.0	-79.44	426.70	4.76	-74.68
CC[N@H+](CC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C1CC1	REAL300029845201	0	55	0.0	-70.79	419.80	4.97	-65.82
C[N@@H+]1CC2CC1(C(=O)N1CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C1)C2	REAL300029845228	0	53	0.0	-71.17	394.99	4.47	-66.70
O=C(C[N@@H+]1CC2CCC1C2)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029845237	0	56	0.0	-69.17	413.83	5.51	-63.66
O=C(C[N@H+]1CC2CCC1C2)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029845237	1	56	0.0	-69.17	413.83	5.51	-63.66
CC(C[NH+](C)C)C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029845252	0	54	0.0	-61.27	398.56	4.49	-56.78
CCN1CCC1C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029845289	0	52	0.0	-69.93	392.04	4.18	-65.75
CC[N@@H+]1CCC1C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029845289	1	52	0.0	-73.61	404.97	4.01	-69.60
CC[N@H+]1CCC1C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029845289	1	52	0.0	-73.61	404.97	4.01	-69.60
CCC(C)(C)[NH2+]C(C)C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029845300	0	60	0.0	-67.09	426.97	4.10	-62.99
CNC1=NC(C)=CC=C1C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029845327	0	54	0.0	-66.97	416.97	4.12	-62.85
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029845327	1	54	0.0	-66.97	416.97	4.12	-62.85
CCCC(C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300029845336	0	57	0.0	-71.36	414.82	5.22	-66.14
C[NH+](C)C(C)(C)C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029845341	0	54	0.0	-68.43	382.91	3.82	-64.61
CC(CC[NH+](C)C)C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029845355	0	57	0.0	-72.81	425.02	5.20	-67.61
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029845417	0	58	0.0	-72.37	426.29	5.00	-67.37
C[N@H+]1CC(C)(C)CC1C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029845417	1	58	0.0	-72.37	426.29	5.00	-67.37
C[NH+](C)CCCCCC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029845419	0	60	0.0	-76.84	460.22	5.93	-70.91
CN1CCN(CC(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029845426	0	57	0.0	-71.77	424.08	2.98	-68.79
C[NH+]1CCN(CC(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029845426	1	57	0.0	-71.77	424.08	2.98	-68.79
CC1CN(C)CC(C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)O1	REAL300029845479	0	56	0.0	-75.11	414.48	4.29	-70.82
CC1C[N@H+](C)CC(C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)O1	REAL300029845479	1	56	0.0	-89.90	414.20	4.01	-85.89
CC1C[N@@H+](C)CC(C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)O1	REAL300029845479	1	56	0.0	-89.90	414.20	4.01	-85.89
C[N@@H+]1CCCCC1C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029845537	0	55	0.0	-74.54	400.33	4.76	-69.78
C[N@@H+]1CCC(=CC(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029845611	0	53	0.0	-77.08	402.17	5.05	-72.03
C[N@H+]1CCC(=CC(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029845611	1	53	0.0	-77.08	402.17	5.05	-72.03
O=C(CNC1=CC=[NH+]C=C1)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029845614	0	51	0.0	-73.23	400.77	2.77	-70.46
C[NH+](C)C1(C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CCCC1	REAL300029845677	0	58	0.0	-70.26	401.88	4.67	-65.59
C[N@@H+]1CCC[C@H]1C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029845696	0	52	0.0	-69.04	386.42	4.00	-65.04
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029845791	0	55	0.0	-71.78	417.31	5.25	-66.53
C[NH+](C)CCC1(C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029845800	0	58	0.0	-70.64	439.29	5.89	-64.75
C[N@@H+]1CC=CCC1CC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029845801	0	56	0.0	-63.46	413.86	5.52	-57.94
C[N@H+]1CC=CCC1CC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029845801	1	56	0.0	-63.46	413.86	5.52	-57.94
C[NH+](C)CCOCC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029845837	0	55	0.0	-73.69	420.83	4.61	-69.08
[NH2+]=C1SC=CN1CC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029845865	0	48	0.0	-66.08	394.56	3.64	-62.44
C[C@@H](OCC[NH+](C)C)C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029845907	0	58	0.0	-67.62	438.90	5.10	-62.52
C[N@@H+]1CCCC(C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029845937	0	55	0.0	-72.86	412.02	5.01	-67.85
C[N@H+]1CCCC(C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029845937	1	55	0.0	-72.86	412.02	5.01	-67.85
O=C(C[NH+]1CCCCCC1)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029845938	0	58	0.0	-72.73	424.39	5.06	-67.67
CN1C=C[N+](CC(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=C1	REAL300029845942	0	50	0.0	-70.34	398.65	6.96	-63.38
O=C(CN1CCC(O)CC1)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029845965	0	56	0.0	-76.07	420.67	2.01	-74.06
O=C(C[NH+]1CCC(O)CC1)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029845965	1	56	0.0	-76.07	420.67	2.01	-74.06
C[N@H+](CC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C1CC1	REAL300029845967	0	52	0.0	-66.85	394.47	4.91	-61.94
O=C(CC[N@H+]1CCC(F)C1)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029845970	0	55	0.0	-81.30	426.82	4.75	-76.55
CC(CC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C[NH+](C)C	REAL300029845991	0	57	0.0	-77.03	430.54	5.02	-72.01
CN1CCOCC1CC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029846010	0	56	0.0	-69.87	410.52	3.21	-66.66
C[N@@H+]1CCOCC1CC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029846010	1	56	0.0	-81.80	424.11	2.88	-78.92
C[N@H+]1CCOCC1CC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029846010	1	56	0.0	-81.80	424.11	2.88	-78.92
CC1=CC(N)=NC=C1C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029846050	0	51	0.0	-73.14	397.50	2.73	-70.41
CC1=CC(N)=[NH+]C=C1C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029846050	1	51	0.0	-73.14	397.50	2.73	-70.41
CC1(O)CC[N@H+](CC(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029846080	0	56	0.0	-71.64	423.84	1.92	-69.72
C[NH+]1CC(CC(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029846108	0	52	0.0	-75.77	404.78	3.83	-71.94
C[N@H+](CCO)CCC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029846138	0	55	0.0	-75.61	423.78	0.99	-74.62
C[N@@H+](CCO)CCC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029846138	1	55	0.0	-75.61	423.78	0.99	-74.62
C[N@@H+]1CCCCC1CC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029846156	0	58	0.0	-78.63	432.13	5.20	-73.43
C[N@H+]1CCCCC1CC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029846156	1	58	0.0	-78.63	432.13	5.20	-73.43
CC1CCN1CC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029846171	0	52	0.0	-72.22	398.27	3.80	-68.42
CC1CC[N@@H+]1CC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029846171	1	52	0.0	-71.03	398.72	4.53	-66.50
CC1CC[N@H+]1CC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029846171	1	52	0.0	-71.03	398.72	4.53	-66.50
C[NH+](C)CC=CC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029846179	0	52	0.0	-76.98	401.54	4.71	-72.27
CC1(C)CN(CC(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029846185	0	55	0.0	-74.20	424.04	4.63	-69.57
CC1(C)C[NH+](CC(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300029846185	1	55	0.0	-74.20	424.04	4.63	-69.57
C[NH+](C)CCSCC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029846207	0	55	0.0	-79.82	431.95	5.46	-74.36
O=C(C[N@H+]1CCCC1CO)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029846226	0	56	0.0	-70.75	418.35	1.49	-69.26
CC[NH+](CC)CC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029846230	0	54	0.0	-71.83	409.42	4.35	-67.48
O=C(CN1CCC1)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029846239	0	49	0.0	-71.94	378.18	3.95	-67.99
O=C(C[NH+]1CCC1)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029846239	1	49	0.0	-71.94	378.18	3.95	-67.99
CC[NH+](CC)CCC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029846270	0	57	0.0	-75.49	431.30	4.93	-70.56
CC(C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)N1CCC1	REAL300029846329	0	52	0.0	-70.59	395.43	4.43	-66.16
CC(C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+]1CCC1	REAL300029846329	1	52	0.0	-70.59	395.43	4.43	-66.16
CCC(CC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C[NH+](C)C	REAL300029846334	0	60	0.0	-77.41	444.38	5.50	-71.91
C[NH+](C)CC(C)(C)C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029846340	0	57	0.0	-75.18	413.03	4.16	-71.02
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029846377	0	55	0.0	-70.06	414.14	4.54	-65.52
C[NH+](C)CC(O)CC(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029846401	0	55	0.0	-80.47	426.06	2.03	-78.44
C=CCC(C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300029846423	0	55	0.0	-71.25	406.85	4.91	-66.34
C[NH+]1CCC(C)(C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300029846436	0	58	0.0	-72.40	419.97	4.55	-67.85
C[NH+](C)CCSCC(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029846499	0	55	0.0	-72.06	431.33	5.26	-66.80
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CCC[N@@H+]1C	REAL300029846662	0	51	0.0	-64.88	372.88	2.66	-62.22
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CN(C)CCO1	REAL300029846686	0	52	0.0	-73.04	390.37	2.59	-70.45
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1C[N@H+](C)CCO1	REAL300029846686	1	52	0.0	-68.63	383.22	2.42	-66.21
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1C[N@@H+](C)CCO1	REAL300029846686	1	52	0.0	-68.63	383.22	2.42	-66.21
CC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C)[NH+]1CCCCCC1	REAL300029846847	0	60	0.0	-62.39	428.05	4.93	-57.46
CC(C)[N@@H+]1CCCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029846849	0	60	0.0	-60.90	425.80	4.94	-55.96
CC(C)[N@H+]1CCCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029846849	1	60	0.0	-60.83	419.70	4.69	-56.14
CC(C)[N@@H+]1CCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029846870	0	57	0.0	-49.41	417.99	4.51	-44.90
CC(C)[N@H+]1CCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029846870	1	57	0.0	-61.53	412.15	4.36	-57.17
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CC2CCCC[N@@H+]2C1	REAL300029846886	0	58	0.0	-64.26	420.66	5.01	-59.25
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CC2CCCC[N@H+]2C1	REAL300029846886	1	58	0.0	-65.81	426.50	5.07	-60.74
CC(C)C1=[NH+]C=CN1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029846907	1	55	0.0	-62.10	424.92	5.21	-56.89
CC1=[NH+]C=CN1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029846937	1	49	0.0	-63.58	388.71	4.09	-59.49
CC(C[NH+]1CCOCC1)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029846938	0	58	0.0	-68.31	424.18	2.84	-65.47
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CCC[NH+]1CCCCC1	REAL300029846954	0	60	0.0	-67.60	437.98	5.33	-62.27
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C(C)(C)[NH+]1CCCCC1	REAL300029846972	0	60	0.0	-62.01	428.63	5.45	-56.56
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1C[NH+]2CCC1CC2	REAL300029846980	0	55	0.0	-68.37	400.17	4.16	-64.21
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CCCC2CCC[N@@H+]21	REAL300029847021	0	58	0.0	-62.14	415.82	5.02	-57.12
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CCCC2CCC[N@H+]21	REAL300029847021	1	58	0.0	-59.72	417.46	4.96	-54.76
C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)CC[N@@H+]1C	REAL300029847035	0	54	0.0	-68.49	394.77	3.37	-65.12
C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)CC[N@H+]1C	REAL300029847035	1	54	0.0	-66.82	401.20	4.02	-62.80
CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)CC[N@@H+]1C	REAL300029847039	0	57	0.0	-67.07	409.56	3.76	-63.31
CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)CC[N@H+]1C	REAL300029847039	1	57	0.0	-65.74	413.81	4.49	-61.25
CC[N@@H+]1CCOC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300029847049	1	55	0.0	-71.21	414.22	3.47	-67.74
CC[N@H+]1CCOC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300029847049	1	55	0.0	-71.43	414.39	3.57	-67.86
CC[NH+](CC)CC(F)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029847090	0	56	0.0	-65.99	412.22	3.85	-62.14
CC1CCC(C)[NH+]1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029847153	0	57	0.0	-62.45	416.41	4.47	-57.98
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CCC[NH+]1CCCC1	REAL300029847159	0	57	0.0	-67.46	422.78	4.67	-62.79
C#CC[NH+]1CCC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)CC1	REAL300029847164	0	56	0.0	-70.20	428.51	5.28	-64.92
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC[NH+]1CCCCC1	REAL300029847165	0	57	0.0	-66.80	416.48	4.53	-62.27
CC[N@@H+]1CCCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029847171	0	57	0.0	-61.62	419.19	4.67	-56.95
CC[N@H+]1CCCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029847171	1	57	0.0	-61.59	418.90	4.59	-57.00
CC(C)C[N@@H+]1CCC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300029847185	0	60	0.0	-65.84	437.67	5.24	-60.60
CC(C)C[N@H+]1CCC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300029847185	1	60	0.0	-65.82	443.62	5.41	-60.41
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1([NH+](C)C)CCC1	REAL300029847189	0	54	0.0	-66.04	393.33	3.63	-62.41
CC(C)[N@@H+]1CCCC1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029847191	0	60	0.0	-61.02	425.14	4.76	-56.26
CC(C)[N@H+]1CCCC1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029847191	1	60	0.0	-61.14	428.28	4.52	-56.62
CC(C)[C@@H](C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C)[NH+](C)C	REAL300029847204	0	56	0.0	-63.55	396.67	3.65	-59.90
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@H+](C)C1CCC1	REAL300029847245	0	54	0.0	-64.33	405.51	4.47	-59.86
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@@H+](C)C1CCC1	REAL300029847245	1	54	0.0	-64.00	405.37	4.46	-59.54
CC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C)[NH+]1C(C)CCC1C	REAL300029847304	0	60	0.0	-60.03	428.38	4.85	-55.18
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029847363	1	53	0.0	-63.27	405.59	4.10	-59.17
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029847363	1	53	0.0	-63.39	405.69	4.52	-58.87
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CCC1CCC[N@@H+]1C	REAL300029847369	0	57	0.0	-67.02	420.42	4.36	-62.66
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CCC1CCC[N@H+]1C	REAL300029847369	1	57	0.0	-67.68	422.84	4.81	-62.87
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C12CCC[NH+](CCC1)C2	REAL300029847378	0	58	0.0	-68.04	416.40	4.58	-63.46
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CCC2CCCC[N@@H+]21	REAL300029847381	0	58	0.0	-62.11	414.54	4.60	-57.51
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CCC2CCCC[N@H+]21	REAL300029847381	1	58	0.0	-60.65	427.11	5.42	-55.23
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CCCC[NH+]1CCCC1	REAL300029847397	0	60	0.0	-68.14	444.26	5.45	-62.69
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CC[NH+](C)CC1	REAL300029847408	0	54	0.0	-68.79	403.83	4.13	-64.66
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=NOC(C[NH+](C)C)=C1	REAL300029847443	1	53	0.0	-76.86	411.01	3.10	-73.76
CC1=C(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C=CC2=C[NH+]=CN21	REAL300029847444	0	52	0.0	-66.97	405.12	6.10	-60.87
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CCCC[N@@H+]1C	REAL300029847475	0	54	0.0	-64.15	391.46	3.79	-60.36
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CCCC[N@H+]1C	REAL300029847475	1	54	0.0	-63.07	395.75	3.77	-59.30
CC(C)C[N@@H+]1CCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029847497	0	60	0.0	-62.50	443.71	5.53	-56.97
CC(C)C[N@H+]1CCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029847497	1	60	0.0	-62.69	443.66	5.56	-57.13
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300029847597	0	49	0.0	-68.03	383.10	5.61	-62.42
CC1=[NH+]C=CN1CCCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029847605	1	55	0.0	-65.14	423.91	5.04	-60.10
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC[NH+]1CCOCC1	REAL300029847610	1	55	0.0	-69.87	408.21	2.13	-67.74
CC1=C[NH+]=CN1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029847640	1	49	0.0	-66.29	389.04	4.82	-61.47
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C12CCC[NH+]1CCC2	REAL300029847679	0	55	0.0	-62.20	403.85	4.46	-57.74
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CCCC([NH+](C)C)C1	REAL300029847703	0	60	0.0	-64.74	425.25	4.79	-59.95
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1CC[N@H+](C)C1	REAL300029847706	0	54	0.0	-68.87	399.65	3.84	-65.03
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1CC[N@@H+](C)C1	REAL300029847706	1	54	0.0	-68.66	406.26	4.05	-64.61
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=C[NH+]=CC=C1N(C)C	REAL300029847718	0	53	0.0	-68.81	403.66	2.94	-65.87
CCC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C)[NH+](C)C	REAL300029847723	0	53	0.0	-63.72	383.42	3.12	-60.60
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1([NH+](C)C)CCCC1	REAL300029847735	0	60	0.0	-67.95	416.78	4.55	-63.40
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300029847776	1	49	0.0	-70.16	383.39	5.63	-64.53
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CCCC[NH+](C)C	REAL300029847830	0	56	0.0	-69.53	418.30	4.27	-65.26
CC(C)C(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C)[NH+](C)C	REAL300029847850	0	56	0.0	-64.69	402.08	4.31	-60.38
CCC[N@H+](C)CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029847852	0	56	0.0	-68.01	414.53	4.09	-63.92
CCC[N@@H+](C)CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029847852	1	56	0.0	-68.03	414.53	4.08	-63.95
CCC[N@H+](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029847857	0	53	0.0	-66.07	398.50	3.89	-62.18
CCC[N@@H+](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029847857	1	53	0.0	-66.08	398.51	3.89	-62.19
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C12CC[N@H+](C1)CCC2	REAL300029847880	0	55	0.0	-67.56	401.04	3.58	-63.98
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C12CC[N@@H+](C1)CCC2	REAL300029847880	1	55	0.0	-67.31	400.89	3.61	-63.70
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)[C@H]1CCC[N@@H+]1C	REAL300029847916	0	51	0.0	-63.47	378.18	3.29	-60.18
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)[C@H]1CCC[N@H+]1C	REAL300029847916	1	51	0.0	-64.57	379.16	3.01	-61.56
CCCCCC[N@H+](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029847973	0	62	0.0	-67.20	462.99	6.23	-60.97
CCCCCC[N@@H+](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029847973	1	62	0.0	-67.21	463.00	6.23	-60.98
CC[NH+](CC)C(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C)C(C)C	REAL300029847977	0	62	0.0	-60.75	428.22	4.61	-56.14
CC[NH+](CC)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029847986	0	53	0.0	-64.27	388.79	3.56	-60.71
CCC[N@@H+]1CCCC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300029848018	0	60	0.0	-62.04	430.65	5.45	-56.59
CCC[N@H+]1CCCC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300029848018	1	60	0.0	-66.11	442.98	5.47	-60.64
CC(C)[N@@H+]1CCOC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300029848033	0	58	0.0	-64.78	423.85	3.83	-60.95
CC(C)[N@H+]1CCOC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300029848033	1	58	0.0	-64.65	424.09	3.91	-60.74
CC1CC[NH+](CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)CC1	REAL300029848062	0	57	0.0	-65.87	421.93	4.85	-61.02
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)COC1CC[NH+](C)CC1	REAL300029848088	0	58	0.0	-72.90	432.90	4.22	-68.68
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1(C[NH+](C)C)CC1	REAL300029848099	0	54	0.0	-64.85	411.37	4.23	-60.62
CC(C)[NH+]1CCC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)CC1	REAL300029848172	0	60	0.0	-66.13	438.15	5.32	-60.81
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CC[NH+](C)CC1	REAL300029848190	0	54	0.0	-68.79	403.83	4.13	-64.66
CC(C)[C@H](C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C)[NH+](C)C	REAL300029848208	0	56	0.0	-63.73	405.04	4.28	-59.45
CCC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C)[NH+](CC)CC	REAL300029848239	0	59	0.0	-60.64	416.78	4.70	-55.94
CC[N@H+](C)CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029848295	0	53	0.0	-67.35	393.03	3.35	-64.00
CC[N@@H+](C)CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029848295	1	53	0.0	-67.43	393.05	3.34	-64.09
CC1CCC[N@@H+]1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029848351	0	54	0.0	-62.85	397.73	3.75	-59.10
CC1CCC[N@H+]1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029848351	1	54	0.0	-62.82	397.95	3.86	-58.96
CC1CC[N@H+](CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300029848353	0	54	0.0	-64.98	405.49	4.12	-60.86
CC1CC[N@@H+](CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300029848353	1	54	0.0	-64.97	398.51	3.91	-61.06
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@@H+]1CCC(C)(C)C1	REAL300029848357	0	57	0.0	-65.04	424.47	4.60	-60.44
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@H+]1CCC(C)(C)C1	REAL300029848357	1	57	0.0	-64.89	417.99	4.38	-60.51
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@H+](C)CC(C)(C)C	REAL300029848358	0	59	0.0	-65.44	429.12	4.95	-60.49
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@@H+](C)CC(C)(C)C	REAL300029848358	1	59	0.0	-65.69	426.85	4.78	-60.91
CC[C@@H](C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C)[NH+](C)C	REAL300029848366	0	53	0.0	-63.65	383.18	3.24	-60.41
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1(O)CC[NH+](C)CC1	REAL300029848523	0	58	0.0	-69.20	429.92	2.87	-66.33
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[NH+](C)C	REAL300029848535	0	47	0.0	-66.66	352.93	2.13	-64.53
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[NH+]1CCC(CO)CC1	REAL300029848539	1	58	0.0	-68.62	426.34	1.29	-67.33
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[NH+]1CCCCCC1	REAL300029848540	0	57	0.0	-65.10	410.35	4.55	-60.55
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N+]1=CN(C)C=C1	REAL300029848544	0	49	0.0	-64.51	384.17	5.64	-58.87
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CCC[N@H+](C)C1	REAL300029848551	0	54	0.0	-62.52	397.60	4.30	-58.22
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CCC[N@@H+](C)C1	REAL300029848551	1	54	0.0	-67.31	403.60	3.98	-63.33
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CCC[N@@H+]1C1CC1	REAL300029848556	0	55	0.0	-62.88	411.85	4.47	-58.41
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CCC[N@H+]1C1CC1	REAL300029848556	1	55	0.0	-62.81	403.09	4.10	-58.71
CC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C)[NH+]1CCC1	REAL300029848583	1	51	0.0	-63.97	388.88	3.30	-60.67
CCC(CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C)C[NH+](C)C	REAL300029848588	0	59	0.0	-69.03	424.05	4.71	-64.32
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C(C)(C)C[NH+](C)C	REAL300029848595	0	56	0.0	-63.91	400.20	3.80	-60.11
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300029848612	0	56	0.0	-61.40	407.69	4.91	-56.49
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300029848612	1	56	0.0	-62.43	411.02	5.46	-56.97
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[NH+]1CCC(O)CC1	REAL300029848620	1	55	0.0	-69.51	405.76	0.65	-68.86
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@H+](C)C1CC1	REAL300029848621	0	51	0.0	-63.47	382.21	3.54	-59.93
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@@H+](C)C1CC1	REAL300029848621	1	51	0.0	-63.50	382.21	3.53	-59.97
CC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C)N1CC[NH+](C)CC1	REAL300029848622	1	59	0.0	-68.38	426.38	2.06	-66.32
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1C[NH+](C)C1	REAL300029848640	0	51	0.0	-67.71	384.38	2.96	-64.75
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CC[N@@H+]1C1CCCC1	REAL300029848644	0	58	0.0	-64.10	419.06	4.71	-59.39
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CC[N@H+]1C1CCCC1	REAL300029848644	1	58	0.0	-65.05	429.65	5.18	-59.87
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300029848652	0	57	0.0	-62.59	402.51	3.95	-58.64
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CC[N@H+]1C(C)(C)C	REAL300029848652	1	57	0.0	-62.82	403.83	3.47	-59.35
C[C@@H](C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C)[NH+](C)C	REAL300029848663	0	50	0.0	-64.42	370.61	2.54	-61.88
CCC1CCC[N@H+](CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300029848702	0	60	0.0	-65.61	426.80	5.19	-60.42
CCC1CCC[N@@H+](CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300029848702	1	60	0.0	-65.72	440.23	5.59	-60.13
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CC=C(C[NH+](C)C)N1	REAL300029848709	0	55	0.0	-71.37	419.78	3.30	-68.07
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CN1C=CSC1=[NH2+]	REAL300029848750	0	47	0.0	-62.54	386.34	2.66	-59.88
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC[N@H+](C)CCO	REAL300029848760	0	54	0.0	-67.62	403.38	0.12	-67.50
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC[N@@H+](C)CCO	REAL300029848760	1	54	0.0	-67.20	403.31	0.09	-67.11
C[C@@H](C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C)[NH+](C)C	REAL300029848761	0	50	0.0	-64.42	370.61	2.54	-61.88
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)[C@H]1CCCC[N@@H+]1C	REAL300029848765	0	54	0.0	-63.26	394.66	3.71	-59.55
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)[C@H]1CCCC[N@H+]1C	REAL300029848765	1	54	0.0	-64.06	385.49	3.57	-60.49
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1C[N@@H+]2CCN1CC2C	REAL300029848773	0	57	0.0	-68.03	404.21	1.01	-67.02
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1C[N@H+]2CCN1CC2C	REAL300029848773	1	57	0.0	-68.80	406.02	1.18	-67.62
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1=CC2=C[NH+]=CN2C=C1	REAL300029848815	0	52	0.0	-68.23	407.34	6.32	-61.91
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@H+](C)C1CCSC1	REAL300029848838	0	55	0.0	-70.99	412.27	4.35	-66.64
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@@H+](C)C1CCSC1	REAL300029848838	1	55	0.0	-71.07	418.62	4.72	-66.35
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[NH+]1CCC1	REAL300029848839	1	48	0.0	-66.19	369.12	2.79	-63.40
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C=C1CC[N@H+](C)C1	REAL300029848869	0	52	0.0	-71.13	390.83	3.70	-67.43
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C=C1CC[N@@H+](C)C1	REAL300029848869	1	52	0.0	-71.00	398.10	4.02	-66.98
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)COCC[NH+](C)C	REAL300029848902	0	54	0.0	-67.77	408.65	3.20	-64.57
CCCCC[N@H+](C)CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029848908	0	62	0.0	-68.92	457.53	5.65	-63.27
CCCCC[N@@H+](C)CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029848908	1	62	0.0	-68.95	463.87	6.01	-62.94
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300029848917	0	58	0.0	-68.64	437.80	4.29	-64.35
C=CCC(C)(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C)[NH+](C)C	REAL300029848924	0	57	0.0	-62.30	404.20	3.96	-58.34
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C(O)CC[S+](C)C	REAL300029848929	0	53	0.0	-68.33	417.79	1.79	-66.54
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1(C)CC(O)C[N@@H+]1C	REAL300029848954	0	55	0.0	-65.98	402.14	0.25	-65.73
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CN(C)CC[N@H+](C)C1	REAL300029848964	0	59	0.0	-65.02	430.16	2.22	-62.80
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CN(C)CC[N@@H+](C)C1	REAL300029848964	1	59	0.0	-65.02	430.16	2.22	-62.80
CC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C)[N@@H+]1CCCC(O)C1	REAL300029848965	0	58	0.0	-63.59	421.08	1.29	-62.30
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CN1CCC(CO)CC1	REAL300029848974	0	58	0.0	-68.62	426.34	1.29	-67.33
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[NH+]1CCC(CO)CC1	REAL300029848974	1	58	0.0	-68.62	426.34	1.29	-67.33
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1(O)CCC[N@H+](C)C1	REAL300029848983	0	58	0.0	-66.03	426.71	2.91	-63.12
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1(O)CCC[N@@H+](C)C1	REAL300029848983	1	58	0.0	-66.03	426.71	2.91	-63.12
CC1CN(CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300029848986	0	51	0.0	-66.13	389.10	3.52	-62.61
CC1C[NH+](CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300029848986	1	51	0.0	-66.13	389.10	3.52	-62.61
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CN(C)CCO	REAL300029849012	0	51	0.0	-66.43	381.02	-0.44	-66.87
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@H+](C)CCO	REAL300029849012	1	51	0.0	-65.88	387.03	-0.06	-65.94
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@@H+](C)CCO	REAL300029849012	1	51	0.0	-65.88	387.03	-0.06	-65.94
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1C[N@@H+]2CCN1CCC2	REAL300029849034	0	57	0.0	-71.92	399.99	2.02	-69.90
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1C[N@H+]2CCN1CCC2	REAL300029849034	1	57	0.0	-71.92	399.99	2.02	-69.90
CC[N@@H+]1CCCC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300029849040	0	57	0.0	-65.56	415.06	4.39	-61.17
CC[N@H+]1CCCC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300029849040	1	57	0.0	-65.56	415.06	4.39	-61.17
CC(CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C)C[NH+](C)C	REAL300029849042	0	56	0.0	-68.87	409.91	4.21	-64.66
CC[N@H+](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029849053	0	50	0.0	-65.65	377.00	3.14	-62.51
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C12CCC[N@@H+]1CCCC2	REAL300029849077	0	58	0.0	-61.09	407.25	4.79	-56.30
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C12CCC[N@H+]1CCCC2	REAL300029849077	1	58	0.0	-61.09	407.25	4.79	-56.30
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C12CCC[N@@H+]1CC=CC2	REAL300029849082	0	56	0.0	-63.38	398.88	5.14	-58.24
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C12CCC[N@H+]1CC=CC2	REAL300029849082	1	56	0.0	-63.38	398.88	5.14	-58.24
CC[N@H+](CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C)C1CC1	REAL300029849102	0	54	0.0	-63.29	398.80	4.22	-59.07
CC[NH+](CC)CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029849118	0	56	0.0	-66.48	411.06	4.13	-62.35
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CN1CC(C)(C)C1	REAL300029849141	0	54	0.0	-65.78	403.54	3.75	-62.03
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[NH+]1CC(C)(C)C1	REAL300029849141	1	54	0.0	-65.78	403.54	3.75	-62.03
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@@H+]1CCC(C)(O)C1	REAL300029849166	0	55	0.0	-65.69	414.76	0.74	-64.95
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C=CC[NH+](C)C	REAL300029849173	0	51	0.0	-70.68	390.16	3.37	-67.31
CC(OCC[NH+](C)C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029849194	0	57	0.0	-66.71	428.46	3.89	-62.82
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CCOCC[NH+](C)C	REAL300029849202	0	57	0.0	-67.22	429.76	2.92	-64.30
COCCN(C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029849203	0	54	0.0	-65.70	409.27	2.33	-63.37
COCC[N@H+](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029849203	1	54	0.0	-66.65	409.61	2.31	-64.34
COCC[N@@H+](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029849203	1	54	0.0	-66.65	409.61	2.31	-64.34
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1([NH+](C)C)CCCC1	REAL300029849236	0	57	0.0	-63.21	407.44	4.59	-58.62
CC(CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C)[NH+](C)C	REAL300029849239	0	56	0.0	-68.78	406.46	3.94	-64.84
CCN1CCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029849246	0	51	0.0	-64.13	377.87	2.95	-61.18
CC[N@@H+]1CCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029849246	1	51	0.0	-64.71	390.56	3.38	-61.33
CC[N@H+]1CCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029849246	1	51	0.0	-64.71	390.56	3.38	-61.33
CC(C)[N@@H+]1CCCC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300029849256	0	60	0.0	-64.24	437.93	5.16	-59.08
CC(C)[N@H+]1CCCC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300029849256	1	60	0.0	-64.24	437.93	5.16	-59.08
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@@H+]1CCCC1CO	REAL300029849269	0	55	0.0	-65.10	402.67	0.30	-64.80
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CC2CCCC[N@@H+]2C1	REAL300029849291	0	58	0.0	-65.81	426.50	5.07	-60.74
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CC2CCCC[N@H+]2C1	REAL300029849291	1	58	0.0	-65.81	426.50	5.07	-60.74
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1(C)CC[NH+](C)CC1	REAL300029849297	0	57	0.0	-66.24	416.33	4.45	-61.79
C=CCC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C)[NH+](C)C	REAL300029849325	0	54	0.0	-62.69	396.33	3.65	-59.04
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CC(C)(C)C[N@@H+]1C	REAL300029849335	0	57	0.0	-63.33	425.18	4.63	-58.70
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CCCCC[NH+](C)C	REAL300029849339	0	59	0.0	-69.53	439.80	5.05	-64.48
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1C[N@@H+]2CCN1C(C)C2	REAL300029849373	0	57	0.0	-67.37	402.35	2.08	-65.29
CCCC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C)[NH+](C)C	REAL300029849374	0	56	0.0	-64.92	404.23	3.91	-61.01
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C(C)(C)[NH+](C)C	REAL300029849378	0	53	0.0	-65.07	380.40	3.30	-61.77
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CCCC[N@@H+]1C	REAL300029849416	0	54	0.0	-63.07	395.75	3.77	-59.30
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1=CC[N@H+](C)CC1	REAL300029849449	0	55	0.0	-67.05	418.05	4.67	-62.38
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1=CC[N@@H+](C)CC1	REAL300029849449	1	55	0.0	-67.05	418.05	4.67	-62.38
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1([NH+]2CCCC2)CC1	REAL300029849458	0	58	0.0	-63.29	417.98	4.87	-58.42
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CC=C(CN(C)C)O1	REAL300029849502	0	54	0.0	-70.51	417.48	3.92	-66.59
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CC=C(C[NH+](C)C)O1	REAL300029849502	1	54	0.0	-70.51	417.48	3.92	-66.59
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C=CC[NH+]1CCCC1	REAL300029849518	0	55	0.0	-69.29	415.25	4.54	-64.75
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CC[NH+](C2CC2)CC1	REAL300029849539	0	58	0.0	-66.21	428.69	5.34	-60.87
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC[NH+]1CCCC1	REAL300029849560	0	54	0.0	-66.82	401.27	3.85	-62.97
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1C[NH+]2CCN1CC2	REAL300029849594	0	54	0.0	-70.52	395.54	0.93	-69.59
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C12CC(C1)C[N@@H+]2C	REAL300029849604	0	52	0.0	-64.67	391.25	3.65	-61.02
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@@H+]1CC2CCC1C2	REAL300029849616	0	55	0.0	-63.49	403.45	4.31	-59.18
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@H+]1CC2CCC1C2	REAL300029849616	1	55	0.0	-63.49	403.45	4.31	-59.18
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C=C1C[NH+]2CCC1CC2	REAL300029849657	0	56	0.0	-66.50	415.41	4.86	-61.64
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CN1CC2C=CC1C2	REAL300029849667	0	53	0.0	-63.74	398.36	4.43	-59.31
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@@H+]1CC2C=CC1C2	REAL300029849667	1	53	0.0	-63.10	392.24	4.11	-58.99
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@H+]1CC2C=CC1C2	REAL300029849667	1	53	0.0	-63.10	392.24	4.11	-58.99
CC(C[NH+](C)C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029849715	0	53	0.0	-63.26	391.05	3.48	-59.78
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1CCCC[N@@H+]1C	REAL300029849785	0	57	0.0	-61.12	410.72	4.43	-56.69
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1CCCC[N@H+]1C	REAL300029849785	1	57	0.0	-61.12	410.72	4.43	-56.69
CC1=C2C=C(C(=O)NCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC3C)C=CN2C=N1	REAL300029849801	0	52	0.0	-67.86	405.29	6.20	-61.66
CC1=C2C=C(C(=O)NCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC3C)C=CN2C=[NH+]1	REAL300029849801	1	52	0.0	-67.86	405.29	6.20	-61.66
CC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C)N1CC(C)C1	REAL300029849802	0	54	0.0	-63.46	408.02	4.14	-59.32
CC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C)[NH+]1CC(C)C1	REAL300029849802	1	54	0.0	-63.46	408.02	4.14	-59.32
CC1CCN1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029849805	0	51	0.0	-64.00	378.95	3.05	-60.95
CC1CC[N@@H+]1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029849805	1	51	0.0	-64.68	390.59	3.55	-61.13
CC1CC[N@H+]1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029849805	1	51	0.0	-64.68	390.59	3.55	-61.13
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC(O)C[NH+](C)C	REAL300029849809	0	54	0.0	-71.33	405.54	1.19	-70.14
CC1CN(C)CC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)O1	REAL300029849836	0	55	0.0	-67.63	410.78	3.50	-64.13
CC1C[N@H+](C)CC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)O1	REAL300029849836	1	55	0.0	-72.49	411.77	3.41	-69.08
CC1C[N@@H+](C)CC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)O1	REAL300029849836	1	55	0.0	-72.49	411.77	3.41	-69.08
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC[NH+]1CCC(O)CC1	REAL300029849845	0	58	0.0	-70.52	427.57	1.18	-69.34
CCC[N@@H+]1CCCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029849847	0	60	0.0	-63.09	424.84	5.04	-58.05
CCC[N@H+]1CCCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029849847	1	60	0.0	-62.88	431.03	5.28	-57.60
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300029849917	0	54	0.0	-68.02	402.93	3.96	-64.06
CC(CC[NH+](C)C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029849925	0	56	0.0	-68.60	412.98	4.01	-64.59
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300029849945	0	58	0.0	-64.03	430.04	1.86	-62.17
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O	REAL300029849945	1	58	0.0	-64.46	430.03	1.58	-62.88
C#CC[N@H+]1CCCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029849951	1	56	0.0	-62.59	420.63	4.99	-57.60
C#CC[N@@H+]1CCCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029849951	1	56	0.0	-63.06	416.76	5.00	-58.06
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CN1CC[NH+](C)CC1	REAL300029849954	1	56	0.0	-68.49	418.29	1.99	-66.50
CC[NH+]1CCN(CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)CC1	REAL300029849963	0	59	0.0	-66.71	429.59	2.33	-64.38
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CSC(N)=[NH2+]	REAL300029849987	0	45	0.0	-67.27	361.46	-1.00	-68.27
CC[N@@H+]1CCOCC1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029850022	0	58	0.0	-67.67	416.92	2.53	-65.14
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CCC([NH+](C)C)CC1	REAL300029850037	0	60	0.0	-69.33	438.09	5.31	-64.02
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1(CC[NH+](C)C)CC1	REAL300029850038	0	57	0.0	-68.12	432.88	5.02	-63.10
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300029850040	0	60	0.0	-64.52	431.54	5.14	-59.38
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1CC=CC[N@@H+]1C	REAL300029850041	0	55	0.0	-68.51	410.12	4.42	-64.09
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1CC=CC[N@H+]1C	REAL300029850041	1	55	0.0	-68.51	410.12	4.42	-64.09
C[C@@H](OCC[NH+](C)C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300029850062	0	57	0.0	-66.72	428.60	3.88	-62.84
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CC2CCC(C1)[NH+]2C	REAL300029850088	0	58	0.0	-63.82	395.54	4.66	-59.16
CC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1C)[NH+]1CCSCC1	REAL300029850194	1	55	0.0	-66.15	411.50	4.17	-61.98
CCC1C[NH+](CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300029850196	1	54	0.0	-66.74	405.26	3.97	-62.77
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1([NH+]2CCCC2)CCC1	REAL300029850198	0	58	0.0	-61.97	419.98	5.22	-56.75
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)[C@@H]1CCC[N@H+]1C	REAL300029850207	1	51	0.0	-63.45	385.06	3.50	-59.95
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC[N@H+]1CCC(F)C1	REAL300029850214	1	54	0.0	-69.88	407.76	4.05	-65.83
COC1C[N@@H+](C)C(C)(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300029850222	1	58	0.0	-64.40	423.52	2.71	-61.69
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC[NH+]1CCCCCC1	REAL300029850230	0	60	0.0	-68.23	426.97	4.76	-63.47
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C[NH+]1CCCCC1	REAL300029850232	0	54	0.0	-65.14	400.99	4.35	-60.79
CC1C(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)CC[N@@H+]1C	REAL300029850242	0	54	0.0	-66.85	401.29	4.02	-62.83
CC1C(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)CC[N@H+]1C	REAL300029850242	1	54	0.0	-65.19	404.82	3.94	-61.25
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CCC1CCCC[N@@H+]1C	REAL300029850244	0	60	0.0	-66.36	440.71	5.40	-60.96
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CCC1CCCC[N@H+]1C	REAL300029850244	1	60	0.0	-66.71	434.66	5.18	-61.53
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CC[N@@H+]2CCOCC12	REAL300029850272	0	56	0.0	-65.03	413.88	2.76	-62.27
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CC[N@H+]2CCOCC12	REAL300029850272	1	56	0.0	-68.57	417.97	2.63	-65.94
CC1=[NH+]C=C2C=CC(C(=O)NCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC3C)=CN21	REAL300029850277	0	52	0.0	-63.95	404.52	5.38	-58.57
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1COCCN1C	REAL300029850291	0	55	0.0	-64.03	402.09	2.04	-61.99
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1COCC[N@@H+]1C	REAL300029850291	1	55	0.0	-70.99	409.93	2.29	-68.70
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1COCC[N@H+]1C	REAL300029850291	1	55	0.0	-64.03	402.09	2.04	-61.99
CC1=C(C)[NH+]=C(CCC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)N1	REAL300029850299	1	55	0.0	-62.14	429.51	3.77	-58.37
CC1CCN(C(=O)C2CCC[N@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029850469	1	51	0.0	-57.33	387.11	3.46	-53.87
CC1CCN(C(=O)C2CN(C)CCO2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029850495	0	52	0.0	-65.43	382.39	2.44	-62.99
CC1CCN(C(=O)C2C[N@H+](C)CCO2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029850495	1	52	0.0	-85.57	388.90	2.61	-82.96
CC1CCN(C(=O)C2C[N@@H+](C)CCO2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029850495	1	52	0.0	-65.43	382.39	2.44	-62.99
CC1=[NH+]C=CN1CCCC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029850655	1	55	0.0	-69.88	427.03	5.32	-64.56
CC1CCN(C(=O)CC[NH+]2CCOCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029850660	1	55	0.0	-76.71	417.39	2.65	-74.06
CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029850685	0	55	0.0	-66.48	398.63	3.91	-62.57
CC1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029850694	1	49	0.0	-78.14	390.89	5.76	-72.38
CC1CCN(C(=O)C2CCCC([NH+](C)C)C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029850748	0	60	0.0	-64.24	431.00	5.08	-59.16
CC1CCN(C(=O)CC2CC[N@H+](C)C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029850751	0	54	0.0	-74.28	408.80	4.26	-70.02
CC1CCN(C(=O)CC2CC[N@@H+](C)C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029850751	1	54	0.0	-74.81	408.01	4.25	-70.56
CC1CCN(C(=O)C2=C[NH+]=CC=C2N(C)C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029850763	0	53	0.0	-80.64	414.85	2.33	-78.31
CCC(C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029850768	0	53	0.0	-69.83	386.65	3.38	-66.45
CC1CCN(C(=O)CCCC[NH+](C)C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029850830	0	56	0.0	-75.30	421.39	4.53	-70.77
CC(C)C(C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029850852	0	56	0.0	-69.93	395.79	3.77	-66.16
CCC[N@H+](C)CCC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029850854	0	56	0.0	-74.73	417.63	4.37	-70.36
CCC[N@@H+](C)CCC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029850854	1	56	0.0	-74.71	417.66	4.37	-70.34
CCC[N@H+](C)CC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029850859	0	53	0.0	-71.32	395.32	3.77	-67.55
CCC[N@@H+](C)CC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029850859	1	53	0.0	-71.35	395.27	3.77	-67.58
CC1CCN(C(=O)C23CC[N@H+](C2)CCC3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029850882	0	55	0.0	-58.50	393.67	3.49	-55.01
CC1CCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029850882	1	55	0.0	-74.37	395.71	3.46	-70.91
CCCCCC[N@H+](C)CC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029850914	0	62	0.0	-72.60	459.77	6.10	-66.50
CCCCCC[N@@H+](C)CC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029850914	1	62	0.0	-72.70	459.82	6.12	-66.58
CC[NH+](CC)C(C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300029850918	0	62	0.0	-66.55	426.72	4.80	-61.75
CC1CC[NH+](CC(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029850950	0	57	0.0	-72.18	418.60	4.84	-67.34
CC1CCN(C(=O)COC2CC[NH+](C)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029850976	0	58	0.0	-79.89	435.98	4.52	-75.37
CC1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029851018	0	58	0.0	-74.68	426.50	5.16	-69.52
CC1CCN(C(=O)C2CC3CCCC[N@H+]3C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029851018	1	58	0.0	-76.52	425.85	5.12	-71.40
CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029851029	0	54	0.0	-73.18	404.59	3.93	-69.25
CC(C)[NH+]1CCC(C(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029851040	0	60	0.0	-74.48	430.69	4.88	-69.60
CC[N@H+](C)CCC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029851061	0	53	0.0	-73.92	396.12	3.63	-70.29
CC[N@@H+](C)CCC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029851061	1	53	0.0	-73.90	396.13	3.63	-70.27
CC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029851087	0	60	0.0	-54.59	417.11	4.94	-49.65
CC1CCN(C(=O)C2C[NH+]3CCC2CC3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029851095	0	55	0.0	-80.14	393.46	3.87	-76.27
CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029851170	0	54	0.0	-77.45	399.96	3.93	-73.52
CC(C)[C@H](C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029851188	0	56	0.0	-70.08	405.85	4.36	-65.72
CC[NH+](CC)CC(F)C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029851274	0	56	0.0	-59.94	411.46	3.93	-56.01
CC(C)C[N@@H+]1CCC(C(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029851306	0	60	0.0	-72.09	436.56	5.22	-66.87
CC(C)C[N@H+]1CCC(C(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029851306	1	60	0.0	-73.23	442.72	5.38	-67.85
CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029851310	0	54	0.0	-75.84	379.96	3.33	-72.51
CCC(C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029851341	0	59	0.0	-68.71	417.11	4.55	-64.16
CC1CCC[N@@H+]1CC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029851361	0	54	0.0	-68.63	407.14	4.27	-64.36
CC1CCC[N@H+]1CC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029851361	1	54	0.0	-68.81	407.48	4.39	-64.42
CC(C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300029851416	0	60	0.0	-66.95	423.70	4.79	-62.16
CC(C)[N@@H+]1CCCCC1C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029851418	0	60	0.0	-65.83	425.89	4.85	-60.98
CC(C)[N@H+]1CCCCC1C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029851418	1	60	0.0	-65.13	433.20	5.04	-60.09
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029851439	0	57	0.0	-69.03	412.87	4.96	-64.07
CC(C)[N@H+]1CCCC1C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029851439	1	57	0.0	-66.01	410.35	4.20	-61.81
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029851445	0	60	0.0	-71.33	433.61	5.01	-66.32
CC(C)[N@H+]1CCCC1CC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029851445	1	60	0.0	-64.53	432.50	4.76	-59.77
CC(C)[C@@H](C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029851458	0	56	0.0	-70.15	395.17	3.88	-66.27
CC1CC[N@H+](CC(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029851478	0	54	0.0	-70.50	407.46	4.28	-66.22
CC1CC[N@@H+](CC(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029851478	1	54	0.0	-70.78	408.17	4.32	-66.46
CC1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029851482	0	57	0.0	-70.55	421.08	4.61	-65.94
CC1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029851482	1	57	0.0	-70.65	427.16	4.85	-65.80
CC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029851483	0	59	0.0	-71.28	425.87	4.90	-66.38
CC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029851483	1	59	0.0	-71.44	423.88	4.76	-66.68
CC[C@@H](C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029851491	0	53	0.0	-67.63	390.41	3.51	-64.12
CC1=[NH+]C=CN1CC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029851681	1	49	0.0	-67.58	390.58	4.17	-63.41
CC(C[NH+]1CCOCC1)C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029851682	0	58	0.0	-74.76	426.76	2.94	-71.82
CC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029851698	0	60	0.0	-73.29	441.53	5.63	-67.66
CC1CCN(C(=O)C2=NOC(C[NH+](C)C)=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029851713	1	53	0.0	-79.33	412.01	3.67	-75.66
CC1=C(C(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300029851714	0	52	0.0	-76.15	414.72	6.19	-69.96
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029851748	1	55	0.0	-65.97	421.70	5.10	-60.87
CC1CCN(C(=O)C2CCCC3CCC[N@@H+]32)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029851779	0	58	0.0	-67.78	415.43	4.60	-63.18
CC1CCN(C(=O)C2CCCC3CCC[N@H+]32)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029851779	1	58	0.0	-54.09	420.70	5.08	-49.01
CC[N@@H+]1CCOC(C(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029851796	1	55	0.0	-75.24	405.87	3.32	-71.92
CC[N@H+]1CCOC(C(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029851796	1	55	0.0	-63.77	400.17	3.09	-60.68
CC1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029851847	0	49	0.0	-76.46	390.57	5.69	-70.77
CC1=C[NH+]=CN1CC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029851852	1	49	0.0	-70.15	390.90	4.90	-65.25
C[C@@H]1[C@H](C(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029851866	0	54	0.0	-77.55	397.77	3.58	-73.97
C[C@@H]1[C@H](C(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029851866	1	54	0.0	-73.81	402.13	4.37	-69.44
CC[C@@H]1[C@@H](C(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029851870	0	57	0.0	-74.55	415.15	4.13	-70.42
CC[C@@H]1[C@@H](C(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029851870	1	57	0.0	-71.71	418.04	4.57	-67.14
CC1CCC(C)[NH+]1CC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029851881	0	57	0.0	-67.93	413.65	4.39	-63.54
CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029851887	0	57	0.0	-72.78	424.27	4.82	-67.96
C#CC[NH+]1CCC(C(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029851893	0	56	0.0	-80.36	425.29	5.14	-75.22
CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029851894	0	57	0.0	-73.12	420.03	4.83	-68.29
CC[N@@H+]1CCCCC1C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029851901	0	57	0.0	-67.78	409.22	4.34	-63.44
CC[N@H+]1CCCCC1C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029851901	1	57	0.0	-66.40	413.56	4.51	-61.89
CC1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029851941	0	60	0.0	-76.69	419.94	4.87	-71.82
CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852082	0	54	0.0	-69.25	402.18	4.33	-64.92
CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852082	1	54	0.0	-68.86	402.30	4.33	-64.53
CC(C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300029852104	0	60	0.0	-66.75	413.55	4.10	-62.65
CC1CCN(C(=O)CCCC[NH+]2CCCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852116	0	60	0.0	-74.27	445.74	5.60	-68.67
CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852127	0	54	0.0	-77.45	399.96	3.93	-73.52
CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852168	0	51	0.0	-68.35	383.90	3.43	-64.92
CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852168	1	51	0.0	-71.69	381.22	3.11	-68.58
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029852191	1	53	0.0	-68.76	401.27	4.12	-64.64
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029852191	1	53	0.0	-68.85	404.33	4.47	-64.38
CC1CCN(C(=O)CCC2CCC[N@@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852197	0	57	0.0	-71.29	417.97	4.42	-66.87
CC1CCN(C(=O)CCC2CCC[N@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852197	1	57	0.0	-77.12	429.57	5.13	-71.99
CC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852206	0	58	0.0	-72.72	410.78	4.29	-68.43
CC1CCN(C(=O)C2CCC3CCCC[N@@H+]32)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852209	0	58	0.0	-66.55	426.64	5.37	-61.18
CC1CCN(C(=O)C2CCC3CCCC[N@H+]32)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852209	1	58	0.0	-66.54	425.91	5.32	-61.22
CCC[N@@H+]1CCCC(C(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029852278	0	60	0.0	-69.37	431.29	5.44	-63.93
CCC[N@H+]1CCCC(C(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029852278	1	60	0.0	-73.07	429.26	5.16	-67.91
CC(C)[N@@H+]1CCOC(C(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029852293	1	58	0.0	-61.10	430.15	3.99	-57.11
CC(C)[N@H+]1CCOC(C(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029852293	1	58	0.0	-81.36	423.47	3.76	-77.60
CC1CCN(C(=O)C2CCCC[N@@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852316	0	54	0.0	-67.26	396.50	3.94	-63.32
CC1CCN(C(=O)C2CCCC[N@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852316	1	54	0.0	-68.85	391.49	3.64	-65.21
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029852339	0	60	0.0	-68.60	440.43	5.42	-63.18
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029852339	1	60	0.0	-69.45	433.59	5.00	-64.45
CC1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852354	0	58	0.0	-72.81	429.48	1.53	-71.28
CC1C(C(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029852397	0	54	0.0	-71.41	404.60	3.92	-67.49
CC1C(C(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029852397	1	54	0.0	-72.78	401.69	3.68	-69.10
CC1CCN(C(=O)CCC2CCCC[N@@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852399	0	60	0.0	-77.30	430.00	5.12	-72.18
CC1CCN(C(=O)CCC2CCCC[N@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852399	1	60	0.0	-77.34	436.05	5.36	-71.98
CC1CCN(C(=O)C2=CC3=C(CCC3)[NH+]=C2N)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852430	1	54	0.0	-64.34	419.43	3.36	-60.98
CC1CCN(C(=O)C2CC[N@@H+]2C(C)(C)C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852488	0	57	0.0	-68.93	402.90	3.49	-65.44
CC1CCN(C(=O)C2CC[N@H+]2C(C)(C)C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852488	1	57	0.0	-69.99	395.96	3.43	-66.56
C[C@@H](C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029852506	0	50	0.0	-69.45	372.77	2.77	-66.68
C=CCC(C)(C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029852523	0	57	0.0	-76.10	404.80	4.12	-71.98
CC1CCN(C(=O)CC[NH+]2CCCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852545	0	54	0.0	-73.98	403.62	4.07	-69.91
CC1CCN(C(=O)C[N@H+](C)CCO)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852555	1	51	0.0	-72.22	384.13	-0.21	-72.43
CC1CCN(C(=O)C[N@@H+](C)CCO)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852555	1	51	0.0	-72.03	383.96	-0.20	-72.23
CC1CCN(C(=O)C2C[N@@H+]3CCN2CCC3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852591	0	57	0.0	-79.82	407.85	1.82	-78.00
CC1CCN(C(=O)C2C[N@H+]3CCN2CCC3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852591	1	57	0.0	-83.63	399.24	1.76	-81.87
CC(C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300029852612	1	55	0.0	-71.92	413.01	4.27	-67.65
CC1CCN(C(=O)CC2=CC[N@H+](C)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852644	0	55	0.0	-69.41	421.31	4.97	-64.44
CC1CCN(C(=O)CC2=CC[N@@H+](C)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852644	1	55	0.0	-66.89	415.16	4.72	-62.17
CC1CCN(C(=O)C(O)CC[S+](C)C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852659	0	53	0.0	-58.92	417.16	1.79	-57.13
CC1CCN(C(=O)C2(C)CC(O)C[N@@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852677	0	55	0.0	-79.88	394.27	0.07	-79.81
CC1CCN(C(=O)C2(C)CC(O)C[N@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852677	1	55	0.0	-67.06	395.26	-0.29	-67.35
CC1CCN(C(=O)C2CN(C)CC[N@H+](C)C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852687	0	59	0.0	-75.94	435.36	2.60	-73.34
CC1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852687	1	59	0.0	-68.89	422.11	2.34	-66.55
CC(C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300029852688	0	58	0.0	-67.73	431.11	1.46	-66.27
CC(C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300029852688	1	58	0.0	-70.77	425.67	1.25	-69.52
CC1CCN(C(=O)C2=C(N)[NH+]=CC3=C2CCC3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852715	0	54	0.0	-70.80	417.11	3.16	-67.64
CC1CCN(C(=O)CC2(O)CCC[N@H+](C)C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852721	0	58	0.0	-72.08	413.76	2.64	-69.44
CC1CCN(C(=O)CC2(O)CCC[N@@H+](C)C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852721	1	58	0.0	-71.59	429.57	3.08	-68.51
CC1C[NH+](CC(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029852726	1	51	0.0	-71.66	393.44	3.70	-67.96
CC[N@@H+]1CCCC(C(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029852733	0	57	0.0	-69.06	416.06	4.95	-64.11
CC[N@H+]1CCCC(C(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029852733	1	57	0.0	-72.12	417.90	4.56	-67.56
CC1CCN(C(=O)CC2=CC=C[NH+]=C2N)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852739	0	50	0.0	-66.50	396.44	2.45	-64.05
CC1CCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852751	0	55	0.0	-66.71	409.76	4.67	-62.04
CC1CCN(C(=O)C2CCC[N@H+]2C2CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852751	1	55	0.0	-66.06	413.79	4.77	-61.29
CC1CCN(C(=O)C=CC[NH+]2CCCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852793	0	55	0.0	-76.02	415.53	4.65	-71.37
CC1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852814	0	58	0.0	-74.79	430.94	5.36	-69.43
CC[N@H+](C)CC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029852857	0	50	0.0	-71.00	373.77	3.01	-67.99
CC[N@@H+](C)CC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029852857	1	50	0.0	-71.11	373.82	3.03	-68.08
CC1CCN(C(=O)C[N@@H+]2CC3C=CC2C3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852908	1	53	0.0	-67.31	401.29	4.49	-62.82
CC1CCN(C(=O)C[N@H+]2CC3C=CC2C3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852908	1	53	0.0	-67.20	395.20	4.23	-62.97
CC1CCN(C(=O)C2C[NH+]3CCN2CC3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852987	0	54	0.0	-80.02	388.82	0.45	-79.57
CC1CCN(C(=O)C23CCC[N@@H+]2CCCC3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853027	0	58	0.0	-65.26	404.53	4.10	-61.16
CC1CCN(C(=O)C23CCC[N@H+]2CCCC3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853027	1	58	0.0	-65.32	409.64	4.21	-61.11
CC1CCN(C(=O)C23CCC[N@@H+]2CC=CC3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853034	0	56	0.0	-64.92	402.79	4.10	-60.82
CC1CCN(C(=O)C23CCC[N@H+]2CC=CC3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853034	1	56	0.0	-65.10	403.81	4.21	-60.89
CC(OCC[NH+](C)C)C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029853044	0	57	0.0	-72.49	428.13	3.92	-68.57
CC1CCN(C(=O)CCOCC[NH+](C)C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853053	0	57	0.0	-73.14	432.85	3.19	-69.95
COCC[N@H+](C)CC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029853055	1	54	0.0	-71.73	406.15	2.17	-69.56
COCC[N@@H+](C)CC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029853055	1	54	0.0	-72.49	406.42	2.19	-70.30
CC1CCN(C(=O)C2C[NH+](C3CCOC3)C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853056	0	56	0.0	-76.38	420.43	2.54	-73.84
CC(CCC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029853060	0	56	0.0	-77.96	409.68	4.12	-73.84
CC1CCN(C(=O)C=C2CC[NH+](C)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853077	0	55	0.0	-71.79	414.57	4.88	-66.91
CC[N@H+](CC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029853085	0	54	0.0	-67.65	404.63	4.38	-63.27
CC[N@@H+](CC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029853085	1	54	0.0	-70.21	403.48	4.51	-65.70
CC1CCN(C(=O)C2C[N@@H+]3CCN2C(C)C3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853100	0	57	0.0	-80.68	405.54	1.04	-79.64
CC1CCN(C(=O)C2C[N@H+]3CCN2C(C)C3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853100	1	57	0.0	-80.88	411.46	1.30	-79.58
CC1CCN(C(=O)C23CC(C2)C[N@@H+]3C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853123	0	52	0.0	-74.57	388.80	3.52	-71.05
CC1CCN(C(=O)C23CC(C2)C[N@H+]3C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853123	1	52	0.0	-57.10	382.65	3.50	-53.60
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029853132	1	54	0.0	-72.89	419.97	3.05	-69.84
CC1CCN(C(=O)C[N@@H+]2CC3CCC2C3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853138	0	55	0.0	-69.51	402.60	4.46	-65.05
CC1CCN(C(=O)C[N@H+]2CC3CCC2C3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853138	1	55	0.0	-68.13	400.39	4.28	-63.85
CC(C[NH+](C)C)C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029853158	0	53	0.0	-60.15	393.73	3.46	-56.69
CC1CCN(C(=O)C2([NH+](C)C)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853174	0	51	0.0	-74.83	384.63	3.10	-71.73
C[C@H](C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029853199	0	50	0.0	-69.56	372.01	2.73	-66.83
CC[N@@H+]1CCC1C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029853206	1	51	0.0	-69.86	383.71	3.16	-66.70
CC[N@H+]1CCC1C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029853206	1	51	0.0	-68.94	385.29	3.22	-65.72
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029853218	0	60	0.0	-71.02	434.56	5.07	-65.95
CC(C)[N@H+]1CCCC(C(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029853218	1	60	0.0	-75.58	434.77	5.10	-70.48
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029853233	0	59	0.0	-69.38	420.31	3.00	-66.38
C#CC[N@H+]1CCCCC1C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029853274	1	56	0.0	-67.67	420.79	5.07	-62.60
C#CC[N@@H+]1CCCCC1C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029853274	1	56	0.0	-68.60	410.67	4.61	-63.99
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029853275	1	53	0.0	-66.04	408.37	2.95	-63.09
CC1CCN(C(=O)C2=C[NH+]=CC=C2N)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853276	0	47	0.0	-74.01	373.02	0.52	-73.49
CCCC(C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029853285	0	56	0.0	-68.21	405.78	4.04	-64.17
CC1CCN(C(=O)C(C)(C)[NH+](C)C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853292	0	53	0.0	-73.83	375.84	2.88	-70.95
CC(CC[NH+](C)C)C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029853310	0	56	0.0	-74.06	415.19	4.08	-69.98
CC1CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853377	0	56	0.0	-72.32	421.90	5.07	-67.25
CC1CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853377	1	56	0.0	-72.77	409.16	5.67	-67.10
CC1CCN(C(=O)C2CC(C)(C)C[N@@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853411	0	57	0.0	-68.08	424.13	4.61	-63.47
CC1CCN(C(=O)C2CC(C)(C)C[N@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853411	1	57	0.0	-67.58	421.60	4.39	-63.19
CC1CCN(C(=O)CCCCC[NH+](C)C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853416	0	59	0.0	-74.36	442.89	5.32	-69.04
CC1CCN(C(=O)CC[NH+]2CCC(O)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853420	0	58	0.0	-76.22	431.13	1.48	-74.74
CCC[N@@H+]1CCCCC1C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029853424	0	60	0.0	-67.17	434.81	5.27	-61.90
CCC[N@H+]1CCCCC1C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029853424	1	60	0.0	-67.24	441.13	5.52	-61.72
CC1CCN(C(=O)CN2CC[NH+](C)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853433	1	56	0.0	-71.19	421.16	2.10	-69.09
CC1C[N@H+](C)CC(C(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029853526	1	55	0.0	-65.34	403.80	2.94	-62.40
CC1C[N@@H+](C)CC(C(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029853526	1	55	0.0	-87.43	402.84	2.92	-84.51
CCC1CCC[N@H+](CC(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029853558	0	60	0.0	-71.95	443.05	5.70	-66.25
CCC1CCC[N@@H+](CC(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029853558	1	60	0.0	-71.85	437.04	5.49	-66.36
CC1CCN(C(=O)C2=CC=C(C[NH+](C)C)N2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853566	0	55	0.0	-87.94	417.94	3.93	-84.01
CC1CCN(C(=O)C[NH+]2CC3CC3C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853581	0	52	0.0	-71.72	391.55	4.25	-67.47
CC1CCN(C(=O)CC2([NH+]3CCCC3)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853594	0	58	0.0	-69.11	421.17	5.17	-63.94
CC1CCN(C(=O)C2CCCC[N@@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853631	0	54	0.0	-67.26	396.50	3.94	-63.32
CC1CCN(C(=O)C2CCCC[N@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853631	1	54	0.0	-68.85	391.49	3.64	-65.21
CC1CCN(C(=O)C=C2CC[N@H+](C)C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853746	0	52	0.0	-75.68	398.86	4.21	-71.47
CC1CCN(C(=O)C=C2CC[N@@H+](C)C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853746	1	52	0.0	-75.56	392.80	3.96	-71.60
CC1CCN(C(=O)CNC2=CC=[NH+]C=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853751	0	50	0.0	-72.89	391.78	1.64	-71.25
CC[NH+]1CCN(CC(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029853805	0	59	0.0	-70.28	438.40	2.74	-67.54
CC1CCN(C(=O)C=C2C[NH+]3CCC2CC3)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853808	0	56	0.0	-65.30	411.34	4.76	-60.54
CC1CCN(C(=O)C2([NH+](C)C)CCCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853843	0	57	0.0	-68.19	402.14	3.68	-64.51
CC1CCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853854	0	58	0.0	-68.90	432.90	1.98	-66.92
CC1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853854	1	58	0.0	-65.74	426.54	1.76	-63.98
CCC1C[NH+](CC(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029853858	0	54	0.0	-72.73	414.80	4.45	-68.28
CC1CCN(C(=O)C2([NH+]3CCCC3)CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853862	0	58	0.0	-71.96	412.82	4.60	-67.36
CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853876	0	51	0.0	-70.78	380.83	3.11	-67.67
CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853876	1	51	0.0	-57.36	387.13	3.49	-53.87
CC[N@@H+]1CCOCC1CC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029853904	0	58	0.0	-73.90	419.69	2.72	-71.18
CC1CCN(C(=O)C2=CC=C3NC(N)=NC3=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853985	0	51	0.0	-73.13	400.73	3.32	-69.81
CC1CCN(C(=O)C2=CC=C3NC(N)=[NH+]C3=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853985	1	51	0.0	-73.13	400.73	3.32	-69.81
CC1CCN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854019	0	54	0.0	-73.33	405.19	4.09	-69.24
CC1CCN(C(=O)C2CCC([NH+](C)C)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854033	0	60	0.0	-66.52	424.91	4.82	-61.70
CC1CCN(C(=O)C2(CC[NH+](C)C)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854034	0	57	0.0	-77.21	426.91	4.68	-72.53
CC1CCN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854036	0	60	0.0	-66.37	424.68	4.83	-61.54
CC1CCN(C(=O)CC2CC=CC[N@@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854037	0	55	0.0	-64.34	408.41	4.65	-59.69
CC1CCN(C(=O)CC2CC=CC[N@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854037	1	55	0.0	-64.34	408.41	4.65	-59.69
CC1=CC(C=CC(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)=CN=C1N	REAL300029854085	0	54	0.0	-77.13	420.16	3.35	-73.78
CC1=CC(C=CC(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)=C[NH+]=C1N	REAL300029854085	1	54	0.0	-77.13	420.16	3.35	-73.78
CC1CCN(C(=O)COCC[NH+](C)C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854097	0	54	0.0	-71.33	418.00	3.72	-67.61
CCCCC[N@H+](C)CCC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029854103	0	62	0.0	-75.67	460.63	5.93	-69.74
CCCCC[N@@H+](C)CCC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029854103	1	62	0.0	-75.67	460.63	5.93	-69.74
CC1CCN(C(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854114	0	58	0.0	-73.60	429.88	4.46	-69.14
CC1CCN(C(=O)CN2C=CSC2=[NH2+])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854138	0	47	0.0	-66.99	389.26	2.78	-64.21
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029854207	0	57	0.0	-68.76	433.35	4.15	-64.61
CC1CCN(C(=O)CC[NH+]2CCCCCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854245	0	60	0.0	-75.42	430.20	5.05	-70.37
CC1CCN(C(=O)C[NH+]2CCCCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854249	0	54	0.0	-71.33	397.78	4.23	-67.10
CC1CCN(C(=O)C2CCC[N@H+](C)C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854251	0	54	0.0	-69.08	392.16	4.03	-65.05
CC1CCN(C(=O)C2CCC[N@@H+](C)C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854251	1	54	0.0	-74.12	400.48	3.90	-70.22
CC1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854252	0	58	0.0	-72.81	429.48	1.53	-71.28
CC1CCN(C(=O)C[NH+]2CCCCCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854253	0	57	0.0	-70.62	413.33	4.63	-65.99
CC1CCN(C(=O)C[N+]2=CN(C)C=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854258	0	49	0.0	-68.41	387.29	5.87	-62.54
CC1CCN(C(=O)C2=CC=C(C[NH+](C)C)O2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854274	1	54	0.0	-83.14	417.52	4.11	-79.03
CC1CCN(C(=O)C[NH+]2CCC(O)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854290	1	55	0.0	-76.86	408.89	0.88	-75.98
CC1CCN(C(=O)C[N@@H+](C)C2CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854295	1	51	0.0	-67.96	385.29	3.75	-64.21
CC(C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300029854297	1	59	0.0	-70.72	432.17	2.27	-68.45
CC1CCN(C(=O)CC[N@H+]2CCC(F)C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854299	1	54	0.0	-76.99	416.33	4.46	-72.53
COC1C[N@@H+](C)C(C)(C(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029854309	1	58	0.0	-68.06	425.15	2.37	-65.69
CC(CC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029854326	0	56	0.0	-74.28	419.30	4.66	-69.62
CC1CCN(C(=O)C2CC[N@@H+]3CCOCC23)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854341	0	56	0.0	-77.87	416.86	2.73	-75.14
CC1CCN(C(=O)C2CC[N@H+]3CCOCC23)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854341	1	56	0.0	-68.23	410.63	2.70	-65.53
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(C)C(CNC(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300029854346	0	52	0.0	-71.94	412.21	5.50	-66.44
CC1CCN(C(=O)CC2COCCN2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854360	0	55	0.0	-66.78	399.17	2.08	-64.70
CC1CCN(C(=O)CC2COCC[N@@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854360	1	55	0.0	-66.62	399.15	2.07	-64.55
CC1CCN(C(=O)CC2COCC[N@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854360	1	55	0.0	-66.78	399.17	2.08	-64.70
CC[NH+]1CCN(CC(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029854368	0	59	0.0	-70.28	438.40	2.74	-67.54
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029854420	1	50	0.0	-74.42	393.11	1.86	-72.56
CC1CCN(C(=O)CCC2=CC=C(N)[NH+]=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854423	0	53	0.0	-72.27	415.05	2.90	-69.37
CC1CCN(C(=O)C[N@H+]2CCC(C)(O)C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854462	1	55	0.0	-69.87	418.14	1.01	-68.86
CC1CCN(C(=O)CC2C[NH+](C)C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854496	0	51	0.0	-73.19	387.13	3.14	-70.05
CC1CCN(C(=O)C2CC[N@@H+]2C2CCCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854501	0	58	0.0	-70.27	420.25	4.87	-65.40
CC1CCN(C(=O)C2CC[N@H+]2C2CCCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854501	1	58	0.0	-72.55	426.35	5.16	-67.39
CC1CCN(C(=O)C[NH+](C)C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854509	0	47	0.0	-71.63	356.03	2.35	-69.28
CC1CCN(C(=O)CC[N@H+](C)CCO)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854537	0	54	0.0	-73.50	406.48	0.41	-73.09
CC1CCN(C(=O)CC[N@@H+](C)CCO)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854537	1	54	0.0	-72.95	406.43	0.39	-72.56
C[C@@H](C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029854538	0	50	0.0	-69.45	372.77	2.77	-66.68
CC1CCN(C(=O)CC2CCCC[N@@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854558	0	57	0.0	-63.64	407.85	4.47	-59.17
CC1CCN(C(=O)CC2CCCC[N@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854558	1	57	0.0	-63.70	413.88	4.72	-58.98
CC1=C2C=C(C(=O)N3CCC(C)C(CNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029854578	1	52	0.0	-75.73	412.80	6.32	-69.41
CC(C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300029854579	0	54	0.0	-57.95	411.09	4.08	-53.87
CC1CCN1CC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029854583	0	51	0.0	-69.07	381.84	3.18	-65.89
CC1CC[N@@H+]1CC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029854583	1	51	0.0	-70.07	387.34	3.48	-66.59
CC1CC[N@H+]1CC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029854583	1	51	0.0	-69.07	381.84	3.18	-65.89
CC1CCN(C(=O)C=CC[NH+](C)C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854596	0	51	0.0	-77.15	392.22	3.62	-73.53
CC1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854609	1	54	0.0	-71.92	406.43	3.93	-67.99
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029854627	1	55	0.0	-67.64	426.27	3.68	-63.96
CC1=C2C=C(C(=O)N3CCC(C)C(CNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029854638	1	52	0.0	-75.73	412.80	6.32	-69.41
CC1CCN(C(=O)CSCC[NH+](C)C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854647	0	54	0.0	-79.05	429.02	4.61	-74.44
CC1CCN(C(=O)C[N@H+]2CCCC2CO)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854672	1	55	0.0	-71.44	410.74	1.03	-70.41
CC[NH+](CC)CC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029854676	0	53	0.0	-69.36	391.79	3.69	-65.67
CC1CCN(C(=O)C[N@@H+](C)C2CCSC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854686	1	55	0.0	-76.31	415.52	4.58	-71.73
CC1CCN(C(=O)C[NH+]2CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854688	1	48	0.0	-71.91	372.44	3.08	-68.83
CC[NH+](CC)CCC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029854734	0	56	0.0	-73.42	409.63	4.05	-69.37
CC1CCN(C(=O)C2=CC(C[NH+](C)C)=CN2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854796	0	55	0.0	-78.98	425.43	4.11	-74.87
CC(C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300029854813	0	58	0.0	-71.15	418.74	0.94	-70.21
CC1CCN(C(=O)C2CC3COCC[N@@H+]3C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854819	0	56	0.0	-74.38	411.82	2.54	-71.84
CC1CCN(C(=O)C2CC3COCC[N@H+]3C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854819	1	56	0.0	-74.76	416.03	2.72	-72.04
CC(C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029854833	1	51	0.0	-57.89	374.89	2.90	-54.99
CCC(CC(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029854839	0	59	0.0	-74.53	427.49	4.88	-69.65
CC1CCN(C(=O)C=CC2=CC=C(N)[NH+]=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854846	0	51	0.0	-78.07	402.30	2.58	-75.49
CC1CCN(C(=O)C(C)(C)C[NH+](C)C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854847	0	56	0.0	-65.88	393.20	3.51	-62.37
CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854905	0	54	0.0	-67.32	396.61	3.95	-63.37
CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854905	1	54	0.0	-68.81	391.51	3.65	-65.16
CC1CCN(C(=O)C2C[N@@H+]3CCN2CC3C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854919	0	57	0.0	-78.50	405.29	0.96	-77.54
CC1CCN(C(=O)C2C[N@H+]3CCN2CC3C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854919	1	57	0.0	-78.54	405.33	0.95	-77.59
CC1CCN(C(=O)CC(O)C[NH+](C)C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854940	0	54	0.0	-77.85	408.51	1.42	-76.43
CC1CCN(C(=O)C2CC3CCC(C2)[NH+]3C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854943	0	58	0.0	-63.69	401.00	4.07	-59.62
C=CCC(C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029854975	0	54	0.0	-70.36	401.11	3.91	-66.45
CC1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854983	0	58	0.0	-74.68	426.50	5.16	-69.52
CC1CCN(C(=O)C2CC3CCCC[N@H+]3C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854983	1	58	0.0	-76.52	425.85	5.12	-71.40
CC1CCN(C(=O)C2(C)CC[NH+](C)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854994	0	57	0.0	-71.56	410.52	4.09	-67.47
CC1CCN(C(=O)CC2(O)CC[NH+](C)CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854996	0	58	0.0	-74.08	432.63	2.94	-71.14
CC1=C2C=C(C(=O)NCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC3C)C=CN2C=[NH+]1	REAL300029855072	1	52	0.0	-67.86	405.29	6.20	-61.66
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CSCC[NH+](C)C	REAL300029855081	0	54	0.0	-71.99	419.83	4.06	-67.93
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CC2COCC[N@@H+]2C1	REAL300029855089	0	56	0.0	-65.79	417.42	2.75	-63.04
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1CC2COCC[N@H+]2C1	REAL300029855089	1	56	0.0	-65.86	417.50	2.73	-63.13
C[N@@H+]1CCCC1C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029855251	0	49	0.0	-59.99	366.50	2.87	-57.12
C[N@H+]1CCCC1C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029855251	1	49	0.0	-69.35	366.57	2.90	-66.45
C[N@@H+]1CCOC(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029855275	1	50	0.0	-71.45	383.88	2.80	-68.65
C[N@H+]1CCOC(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029855275	1	50	0.0	-56.74	376.71	2.65	-54.09
CC(C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300029855446	0	58	0.0	-64.41	417.01	5.11	-59.30
CC(C)[N@@H+]1CCCCC1C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029855448	0	58	0.0	-55.56	421.76	5.14	-50.42
CC(C)[N@H+]1CCCCC1C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029855448	1	58	0.0	-61.74	414.24	5.06	-56.68
CC(C)[N@@H+]1CCCC1C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029855469	0	55	0.0	-67.54	399.00	4.60	-62.94
CC(C)[N@H+]1CCCC1C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029855469	1	55	0.0	-68.06	398.47	4.63	-63.43
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@@H+]2C1	REAL300029855486	0	56	0.0	-65.73	414.12	5.01	-60.72
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@H+]2C1	REAL300029855486	1	56	0.0	-73.80	414.13	5.06	-68.74
CC(C)C1=[NH+]C=CN1CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029855508	1	53	0.0	-62.54	412.15	5.09	-57.45
CC1=[NH+]C=CN1CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029855542	1	47	0.0	-62.86	375.93	3.98	-58.88
CC(C[NH+]1CCOCC1)C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029855544	0	56	0.0	-69.56	417.97	3.10	-66.46
O=C(CCC[NH+]1CCCCC1)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029855561	0	58	0.0	-68.50	432.26	5.70	-62.80
CC(C)(C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300029855580	0	58	0.0	-64.16	415.85	5.36	-58.80
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCC1CC2	REAL300029855590	0	53	0.0	-78.96	388.01	4.23	-74.73
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1CCCC2CCC[N@@H+]21	REAL300029855636	0	56	0.0	-69.57	409.31	5.41	-64.16
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1CCCC2CCC[N@H+]21	REAL300029855636	1	56	0.0	-59.62	405.67	5.27	-54.35
C[C@@H]1[C@H](C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029855652	0	52	0.0	-73.60	384.36	3.55	-70.05
C[C@@H]1[C@H](C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029855652	1	52	0.0	-70.67	389.35	3.98	-66.69
CC[C@@H]1[C@@H](C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029855657	0	55	0.0	-69.85	405.02	4.33	-65.52
CC[C@@H]1[C@@H](C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029855657	1	55	0.0	-70.90	407.49	4.61	-66.29
CC[N@@H+]1CCOC(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029855672	1	53	0.0	-52.82	395.67	3.60	-49.22
CC[N@H+]1CCOC(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029855672	1	53	0.0	-56.82	394.50	3.31	-53.51
CC[NH+](CC)CC(F)C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029855718	0	54	0.0	-73.62	405.06	4.05	-69.57
CC1CCC(C)[NH+]1CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029855791	0	55	0.0	-61.51	404.35	4.53	-56.98
O=C(CCC[NH+]1CCCC1)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029855797	0	55	0.0	-68.26	417.04	5.04	-63.22
C[NH+](C)CC1=CC=CC(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029855798	0	55	0.0	-71.73	425.37	5.99	-65.74
C#CC[NH+]1CCC(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029855803	0	54	0.0	-72.91	415.76	5.19	-67.72
O=C(CC[NH+]1CCCCC1)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029855804	0	55	0.0	-66.67	410.76	4.90	-61.77
C[NH+](C)CC1=CC=CC=C1C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029855807	0	55	0.0	-62.32	416.76	6.15	-56.17
CC[N@@H+]1CCCCC1C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029855811	0	55	0.0	-64.07	406.99	4.75	-59.32
CC[N@H+]1CCCCC1C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029855811	1	55	0.0	-53.31	409.10	5.14	-48.17
C[NH+](C)C(C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300029855814	1	55	0.0	-59.92	421.38	5.86	-54.06
CC(C)C[N@@H+]1CCC(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029855831	0	58	0.0	-69.46	431.29	5.29	-64.17
CC(C)C[N@H+]1CCC(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029855831	1	58	0.0	-62.23	433.07	5.62	-56.61
C[NH+](C)C1(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029855835	0	52	0.0	-62.51	379.37	4.35	-58.16
CC(C)[N@@H+]1CCCC1CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029855837	0	58	0.0	-57.78	415.12	4.91	-52.87
CC(C)[N@H+]1CCCC1CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029855837	1	58	0.0	-66.98	425.35	5.00	-61.98
CC(C)[C@@H](C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029855852	0	54	0.0	-69.36	391.78	3.88	-65.48
C[N@H+](CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029855901	0	52	0.0	-62.54	393.01	4.41	-58.13
C[N@@H+](CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029855901	1	52	0.0	-63.86	392.90	4.41	-59.45
CC(C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300029855965	0	58	0.0	-61.40	417.61	4.77	-56.63
CN(CCC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CC=[NH+]C=C1	REAL300029856021	0	54	0.0	-69.61	421.95	4.19	-65.42
C#CC[N@H+]1CCC[C@H]1C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029856029	1	51	0.0	-57.30	395.50	4.42	-52.88
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029856029	1	51	0.0	-57.97	402.33	5.09	-52.88
C[N@@H+]1CCCC1CCC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029856035	0	55	0.0	-72.92	413.88	4.84	-68.08
C[N@H+]1CCCC1CCC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029856035	1	55	0.0	-69.00	409.13	4.53	-64.47
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+](CCC1)C2	REAL300029856046	0	56	0.0	-70.71	404.04	4.57	-66.14
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1CCC2CCCC[N@@H+]21	REAL300029856053	0	56	0.0	-62.51	413.88	5.23	-57.28
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1CCC2CCCC[N@H+]21	REAL300029856053	1	56	0.0	-62.61	414.29	5.32	-57.29
O=C(CCCC[NH+]1CCCC1)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029856073	0	58	0.0	-69.97	438.54	5.82	-64.15
C[N@H+](CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029856075	1	55	0.0	-69.47	423.16	5.96	-63.51
C[N@@H+](CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029856075	1	55	0.0	-68.83	423.49	6.01	-62.82
C[NH+]1CCC(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029856086	0	52	0.0	-70.46	391.08	4.04	-66.42
C[NH+](C)CC1=CC(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)=NO1	REAL300029856127	1	51	0.0	-79.97	405.24	3.37	-76.60
CC1=C(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300029856128	0	50	0.0	-76.23	399.04	6.04	-70.19
C[N@@H+]1CCCCC1C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029856160	0	52	0.0	-66.62	388.54	3.94	-62.68
C[N@H+]1CCCCC1C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029856160	1	52	0.0	-58.64	389.18	4.11	-54.53
CC(C)C[N@@H+]1CCCC1C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029856183	0	58	0.0	-63.65	427.83	5.32	-58.33
CC(C)C[N@H+]1CCCC1C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029856183	1	58	0.0	-58.36	433.09	5.96	-52.40
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CN2C=[NH+]C=C2C=C1	REAL300029856288	0	47	0.0	-71.36	376.59	5.84	-65.52
CC1=[NH+]C=CN1CCCC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029856297	1	53	0.0	-66.68	417.62	5.28	-61.40
C[NH+](C)CC1=CC=C(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300029856302	0	55	0.0	-78.00	424.62	5.84	-72.16
O=C(CC[NH+]1CCOCC1)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029856303	1	53	0.0	-71.72	401.92	2.39	-69.33
CC1=C[NH+]=CN1CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029856334	1	47	0.0	-68.05	375.50	4.72	-63.33
O=C(CN1C=[NH+]C2=C1CCCC2)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029856340	1	54	0.0	-68.75	418.09	6.44	-62.31
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+]1CCC2	REAL300029856376	0	53	0.0	-63.02	391.09	4.33	-58.69
C[NH+](C)C1CCCC(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029856405	0	58	0.0	-68.02	425.60	5.26	-62.76
C[N@@H+]1CCC(CC(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029856408	0	52	0.0	-70.22	393.24	3.93	-66.29
C[N@H+]1CCC(CC(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029856408	1	52	0.0	-71.01	394.12	4.25	-66.76
CN(C)C1=CC=[NH+]C=C1C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029856420	0	51	0.0	-74.35	397.46	3.16	-71.19
CCC(C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029856425	0	51	0.0	-66.00	376.95	3.41	-62.59
C[NH+](C)C1(CC(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029856439	0	58	0.0	-70.78	410.33	4.79	-65.99
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CC2=C[NH+]=CN2C=C1	REAL300029856483	1	47	0.0	-75.73	376.86	5.86	-69.87
C[NH+](C)CCCCC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029856541	0	54	0.0	-72.75	412.02	4.52	-68.23
CC(C)C(C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029856561	0	54	0.0	-67.95	390.34	3.90	-64.05
CCC[N@H+](C)CCC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029856563	0	54	0.0	-68.18	408.81	4.47	-63.71
CCC[N@@H+](C)CCC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029856563	1	54	0.0	-67.89	408.81	4.45	-63.44
CCC[N@H+](C)CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029856569	0	51	0.0	-65.07	386.01	3.83	-61.24
CCC[N@@H+](C)CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029856569	1	51	0.0	-66.28	385.73	3.78	-62.50
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C12CC[N@H+](C1)CCC2	REAL300029856593	0	53	0.0	-69.21	388.28	3.57	-65.64
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C12CC[N@@H+](C1)CCC2	REAL300029856593	1	53	0.0	-71.65	388.09	3.54	-68.11
C[N@@H+]1CCC[C@@H]1C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029856633	0	49	0.0	-55.08	369.30	3.47	-51.61
C[N@H+]1CCC[C@@H]1C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029856633	1	49	0.0	-57.20	373.87	4.06	-53.14
CCCCCC[N@H+](C)CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029856693	0	60	0.0	-67.13	450.23	6.13	-61.00
CCCCCC[N@@H+](C)CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029856693	1	60	0.0	-67.32	450.23	6.13	-61.19
CC[NH+](CC)C(C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300029856698	0	60	0.0	-48.25	417.26	6.80	-41.45
CC[NH+](CC)CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029856707	0	51	0.0	-63.70	382.45	3.71	-59.99
CCC[N@@H+]1CCCC(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029856739	0	58	0.0	-65.82	430.96	5.53	-60.29
CCC[N@H+]1CCCC(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029856739	1	58	0.0	-63.97	423.93	5.61	-58.36
CC(C)[N@@H+]1CCOC(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029856756	0	56	0.0	-75.65	411.27	3.83	-71.82
CC(C)[N@H+]1CCOC(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029856756	1	56	0.0	-70.71	421.52	4.42	-66.29
CC1CC[NH+](CC(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029856788	0	55	0.0	-64.82	410.17	5.00	-59.82
C[NH+]1CCC(OCC(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029856816	0	56	0.0	-76.20	426.61	4.47	-71.73
C[NH+](C)CC1(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029856830	0	52	0.0	-58.19	397.79	4.08	-54.11
CC1=[NH+]C=C2CCC(C(=O)NCC34CCC3CCN4C(=O)C3=CC(=O)[N-]O3)CN21	REAL300029856831	1	54	0.0	-63.05	414.39	5.17	-57.88
CC(C)[NH+]1CCC(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029856906	0	58	0.0	-67.62	421.75	5.00	-62.62
C[NH+]1CCC(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029856927	0	52	0.0	-70.46	391.08	4.04	-66.42
CC(C)[C@H](C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029856945	0	54	0.0	-59.57	397.45	3.87	-55.70
CCC(C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300029856976	0	57	0.0	-59.68	411.72	4.76	-54.92
CC[N@H+](C)CCC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029857038	0	51	0.0	-67.68	387.31	3.74	-63.94
CC[N@@H+](C)CCC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029857038	1	51	0.0	-67.31	387.31	3.72	-63.59
CC1CCC[N@@H+]1CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029857094	0	52	0.0	-63.21	392.56	4.00	-59.21
CC1CCC[N@H+]1CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029857094	1	52	0.0	-62.77	392.14	4.22	-58.55
CC1CC[N@H+](CC(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029857096	0	52	0.0	-65.63	392.54	4.12	-61.51
CC1CC[N@@H+](CC(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029857096	1	52	0.0	-65.51	391.94	4.02	-61.49
CC1=[NH+]C=C2CC(C(=O)NCC34CCC3CCN4C(=O)C3=CC(=O)[N-]O3)CCN21	REAL300029857098	1	54	0.0	-62.55	415.31	5.16	-57.39
CC1(C)CC[N@H+](CC(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029857101	0	55	0.0	-60.03	414.55	5.06	-54.97
CC1(C)CC[N@@H+](CC(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029857101	1	55	0.0	-65.45	412.04	4.64	-60.81
C[N@H+](CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029857102	0	57	0.0	-64.14	414.57	4.77	-59.37
C[N@@H+](CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029857102	1	57	0.0	-65.19	416.01	4.86	-60.33
CC[C@@H](C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029857111	0	51	0.0	-66.00	376.79	3.39	-62.61
C[NH+]1CCC(O)(CC(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029857290	0	56	0.0	-69.15	416.69	2.60	-66.55
C[NH+](C)CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029857302	0	45	0.0	-66.86	346.66	2.36	-64.50
O=C(C[NH+]1CCC(CO)CC1)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029857306	1	56	0.0	-66.18	421.01	1.70	-64.48
O=C(C[NH+]1CCCCCC1)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029857308	0	55	0.0	-65.26	398.11	4.47	-60.79
CN1C=C[N+](CC(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029857312	0	47	0.0	-62.16	378.46	6.02	-56.14
C[N@@H+]1CCCC(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029857319	0	52	0.0	-66.98	391.81	4.13	-62.85
C[N@H+]1CCCC(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029857319	1	52	0.0	-78.35	389.24	4.19	-74.16
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1CCC[N@@H+]1C1CC1	REAL300029857324	0	53	0.0	-56.88	406.33	5.23	-51.65
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1CCC[N@H+]1C1CC1	REAL300029857324	1	53	0.0	-61.68	396.21	4.20	-57.48
CC(C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300029857353	1	49	0.0	-66.55	374.13	3.40	-63.15
CCC(CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029857359	0	57	0.0	-78.45	420.71	4.95	-73.50
C[NH+](C)CC(C)(C)C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029857366	0	54	0.0	-70.45	393.95	4.12	-66.33
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C12CC(C1)C[N@@H+]2C1CC1	REAL300029857384	0	54	0.0	-57.42	399.70	4.74	-52.68
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C12CC(C1)C[N@H+]2C1CC1	REAL300029857384	1	54	0.0	-66.08	405.71	5.83	-60.25
O=C(C[NH+]1CCC(O)CC1)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029857395	1	53	0.0	-68.20	400.03	1.04	-67.16
C[N@H+](CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029857396	0	49	0.0	-61.78	376.48	3.92	-57.86
C[N@@H+](CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029857396	1	49	0.0	-62.59	376.48	3.92	-58.67
CC(C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300029857397	1	57	0.0	-70.90	418.94	2.18	-68.72
C[NH+]1CC(CC(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029857416	0	49	0.0	-71.75	378.10	3.19	-68.56
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1CC[N@@H+]1C1CCCC1	REAL300029857420	0	56	0.0	-62.08	422.33	5.71	-56.37
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1CC[N@H+]1C1CCCC1	REAL300029857420	1	56	0.0	-66.12	417.31	5.16	-60.96
CC(C)(C)[N@@H+]1CCC1C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029857428	0	55	0.0	-68.73	389.80	3.91	-64.82
CC(C)(C)[N@H+]1CCC1C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029857428	1	55	0.0	-65.44	391.59	3.41	-62.03
C[C@@H](C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029857439	0	48	0.0	-67.52	364.07	2.78	-64.74
CCC1CCC[N@H+](CC(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029857481	0	58	0.0	-64.31	428.19	5.63	-58.68
CCC1CCC[N@@H+](CC(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029857481	1	58	0.0	-64.70	427.75	5.54	-59.16
C[NH+](C)CC1=CC=C(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)N1	REAL300029857489	0	53	0.0	-82.02	413.08	3.79	-78.23
[NH2+]=C1SC=CN1CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029857534	0	45	0.0	-60.40	373.57	2.55	-57.85
C[N@H+](CCO)CCC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029857544	0	52	0.0	-66.57	397.66	0.50	-66.07
C[N@@H+](CCO)CCC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029857544	1	52	0.0	-68.04	397.65	0.49	-67.55
C[C@@H](C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029857545	0	48	0.0	-67.52	364.07	2.78	-64.74
C[N@@H+]1CCCC[C@@H]1C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029857549	0	52	0.0	-66.84	379.58	3.86	-62.98
C[N@H+]1CCCC[C@@H]1C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029857549	1	52	0.0	-64.13	390.94	4.26	-59.87
CC1CN2CC[N@@H+]1CC2C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029857558	0	55	0.0	-64.48	399.20	1.34	-63.14
CC1CN2CC[N@H+]1CC2C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029857558	1	55	0.0	-59.91	400.12	1.49	-58.42
O=C(CC1=CC2=C[NH+]=CN2C=C1)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029857604	0	50	0.0	-68.82	401.62	6.70	-62.12
C[N@H+](CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029857629	0	53	0.0	-68.74	406.14	4.60	-64.14
C[N@@H+](CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029857629	1	53	0.0	-70.73	406.49	4.76	-65.97
C[NH+](C)CC1=CC(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)=CC=N1	REAL300029857660	1	54	0.0	-69.35	420.64	4.40	-64.95
C[N@@H+]1CCC(=CC(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029857662	0	50	0.0	-72.85	385.53	3.89	-68.96
C[N@H+]1CCC(=CC(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029857662	1	50	0.0	-81.54	383.62	4.11	-77.43
C[NH+](C)CCOCC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029857696	0	52	0.0	-67.71	402.53	3.43	-64.28
CCCCC[N@H+](C)CCC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029857702	0	60	0.0	-69.04	451.81	6.03	-63.01
CCCCC[N@@H+](C)CCC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029857702	1	60	0.0	-68.72	451.80	6.02	-62.70
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)O1	REAL300029857711	0	56	0.0	-78.60	423.45	4.57	-74.03
C=CCC(C)(C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029857718	0	55	0.0	-60.47	401.49	4.46	-56.01
C[S+](C)CCC(O)C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029857723	0	51	0.0	-80.29	411.66	2.08	-78.21
C[N@@H+]1CC(O)CC1(C)C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029857750	0	53	0.0	-86.07	388.86	1.13	-84.94
CN1CC[N@H+](C)CC(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029857762	0	57	0.0	-66.78	416.63	2.56	-64.22
CN1CC[N@@H+](C)CC(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029857762	1	57	0.0	-66.78	416.63	2.56	-64.22
CC(C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)N1CCCC(O)C1	REAL300029857763	0	56	0.0	-64.97	417.49	1.24	-63.73
CC(C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300029857763	1	56	0.0	-55.72	420.40	1.77	-53.95
CC(C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)[N@H+]1CCCC(O)C1	REAL300029857763	1	56	0.0	-55.72	420.40	1.77	-53.95
O=C(CN1CCC(CO)CC1)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029857773	0	56	0.0	-66.18	421.01	1.70	-64.48
O=C(C[NH+]1CCC(CO)CC1)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029857773	1	56	0.0	-66.18	421.01	1.70	-64.48
C[N@@H+]1CCCC(O)(CC(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029857782	0	56	0.0	-56.60	419.77	3.29	-53.31
C[N@H+]1CCCC(O)(CC(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029857782	1	56	0.0	-56.60	419.77	3.29	-53.31
CC1CN(CC(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029857785	0	49	0.0	-67.31	377.39	3.45	-63.86
CC1C[NH+](CC(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029857785	1	49	0.0	-67.31	377.39	3.45	-63.86
CN(CCO)CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029857812	0	49	0.0	-68.35	374.59	-0.20	-68.55
C[N@H+](CCO)CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029857812	1	49	0.0	-67.22	373.60	-0.21	-67.43
C[N@@H+](CCO)CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029857812	1	49	0.0	-67.22	373.60	-0.21	-67.43
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1C[N@@H+]2CCN1CCC2	REAL300029857835	0	55	0.0	-69.76	392.81	2.15	-67.61
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1C[N@H+]2CCN1CCC2	REAL300029857835	1	55	0.0	-69.76	392.81	2.15	-67.61
CC[N@@H+]1CCCC(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029857841	0	55	0.0	-58.28	404.66	5.13	-53.15
CC[N@H+]1CCCC(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029857841	1	55	0.0	-58.28	404.66	5.13	-53.15
CC(CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029857843	0	54	0.0	-70.48	403.84	4.37	-66.11
CC[N@H+](C)CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029857856	0	48	0.0	-64.86	364.51	3.10	-61.76
CC[N@@H+](C)CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029857856	1	48	0.0	-66.02	364.24	3.04	-62.98
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C12CCC[N@@H+]1CCCC2	REAL300029857884	0	56	0.0	-72.41	399.72	5.18	-67.23
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C12CCC[N@H+]1CCCC2	REAL300029857884	1	56	0.0	-58.40	403.49	5.48	-52.92
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C12CCC[N@@H+]1CC=CC2	REAL300029857891	0	54	0.0	-71.41	389.53	5.14	-66.27
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C12CCC[N@H+]1CC=CC2	REAL300029857891	1	54	0.0	-67.05	393.35	5.30	-61.75
CC[N@H+](CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029857912	0	52	0.0	-61.29	392.46	4.32	-56.97
CC[N@@H+](CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029857912	1	52	0.0	-62.08	393.27	4.52	-57.56
CC[NH+](CC)CCC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029857930	0	54	0.0	-68.31	404.33	4.28	-64.03
C[NH+]1CCC(=CC(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029857942	0	53	0.0	-71.05	399.79	4.69	-66.36
CC1(O)CC[N@H+](CC(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029857983	0	53	0.0	-65.99	402.49	0.80	-65.19
CC1(O)CC[N@@H+](CC(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029857983	1	53	0.0	-67.32	402.42	0.73	-66.59
C[NH+](C)CC=CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029857990	0	49	0.0	-75.01	383.88	3.62	-71.39
CC(OCC[NH+](C)C)C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858012	0	55	0.0	-70.52	422.31	4.12	-66.40
C[NH+](C)CCOCCC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858021	0	55	0.0	-72.83	422.91	3.13	-69.70
COCC[N@H+](C)CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858022	1	52	0.0	-66.68	395.85	2.19	-64.49
COCC[N@@H+](C)CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858022	1	52	0.0	-68.30	396.84	2.20	-66.10
C[NH+](C)C1(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029858058	0	55	0.0	-75.08	398.32	4.91	-70.17
CC(CCC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029858061	0	54	0.0	-68.94	399.55	4.08	-64.86
CC[N@@H+]1CCC1C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858070	1	49	0.0	-63.71	371.18	3.09	-60.62
CC[N@H+]1CCC1C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858070	1	49	0.0	-62.67	379.33	3.68	-58.99
CC(C)[N@@H+]1CCCC(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029858080	0	58	0.0	-69.80	417.32	5.58	-64.22
CC(C)[N@H+]1CCCC(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029858080	1	58	0.0	-63.36	419.07	5.39	-57.97
O=C(C[N@H+]1CCCC1CO)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858093	0	53	0.0	-62.02	394.85	1.28	-60.74
O=C(C[N@@H+]1CCCC1CO)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858093	1	53	0.0	-66.08	395.77	0.38	-65.70
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@@H+]2C1	REAL300029858115	0	56	0.0	-65.73	414.12	5.01	-60.72
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@H+]2C1	REAL300029858115	1	56	0.0	-73.80	414.13	5.06	-68.74
C[NH+]1CCC(C)(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029858121	0	55	0.0	-58.28	404.03	4.51	-53.77
C[NH+](C)CC1=CNC(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029858127	0	53	0.0	-76.63	412.87	3.68	-72.95
CC(C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300029858143	1	56	0.0	-67.86	418.10	1.43	-66.43
C=CCC(C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029858151	0	52	0.0	-66.34	390.17	3.83	-62.51
C[N@@H+]1CC(C)(C)CC1C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858164	0	55	0.0	-60.73	406.49	4.06	-56.67
C[N@H+]1CC(C)(C)CC1C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858164	1	55	0.0	-68.07	407.62	4.11	-63.96
C[NH+](C)CCCCCC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858168	0	57	0.0	-73.17	433.52	5.30	-67.87
O=C(C[NH+]1CC2CC2C1)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858176	0	50	0.0	-64.61	382.11	4.30	-60.31
CC1C[N@@H+]2CCN1C(C(=O)NCC13CCC1CCN3C(=O)C1=CC(=O)[N-]O1)C2	REAL300029858203	0	55	0.0	-79.50	399.70	1.47	-78.03
CC1C[N@H+]2CCN1C(C(=O)NCC13CCC1CCN3C(=O)C1=CC(=O)[N-]O1)C2	REAL300029858203	1	55	0.0	-79.38	400.03	1.53	-77.85
CCCC(C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029858204	0	54	0.0	-70.18	401.52	4.33	-65.85
C[NH+](C)C(C)(C)C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858208	0	51	0.0	-64.55	374.12	3.54	-61.01
C[N@@H+]1CCCCC1C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858250	0	52	0.0	-66.62	388.54	3.94	-62.68
C[N@H+]1CCCCC1C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858250	1	52	0.0	-58.64	389.18	4.11	-54.53
C[N@H+]1CC=C(CC(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029858290	0	53	0.0	-66.87	408.35	5.19	-61.68
C[N@@H+]1CC=C(CC(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029858290	1	53	0.0	-68.10	405.69	4.68	-63.42
O=C(CC1([NH+]2CCCC2)CC1)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858299	0	56	0.0	-63.55	413.05	5.24	-58.31
C[NH+](C)CC1=CC=C(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)O1	REAL300029858348	1	52	0.0	-70.60	410.27	4.13	-66.47
C[NH+](C)CC1=CC=C(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C=N1	REAL300029858353	0	54	0.0	-73.22	420.49	4.39	-68.83
O=C(C=CC[NH+]1CCCC1)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858365	0	53	0.0	-71.63	409.52	4.93	-66.70
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1CC[NH+](C2CC2)CC1	REAL300029858389	0	56	0.0	-65.88	416.20	5.29	-60.59
C[NH+](C)C1(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029858410	0	49	0.0	-74.62	372.43	2.99	-71.63
O=C(CC[NH+]1CCCC1)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858412	0	52	0.0	-68.68	394.98	4.10	-64.58
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCN1CC2	REAL300029858450	0	52	0.0	-64.46	382.85	0.82	-63.64
C[N@@H+]1CC2CC1(C(=O)NCC13CCC1CCN3C(=O)C1=CC(=O)[N-]O1)C2	REAL300029858460	0	50	0.0	-73.00	378.88	3.47	-69.53
C[N@H+]1CC2CC1(C(=O)NCC13CCC1CCN3C(=O)C1=CC(=O)[N-]O1)C2	REAL300029858460	1	50	0.0	-54.63	359.54	4.71	-49.92
O=C(C[N@@H+]1CC2CCC1C2)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858474	0	53	0.0	-65.69	389.52	4.20	-61.49
O=C(C[N@H+]1CC2CCC1C2)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858474	1	53	0.0	-61.70	392.99	4.61	-57.09
O=C(C=C1C[NH+]2CCC1CC2)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858515	0	54	0.0	-66.61	402.65	4.76	-61.85
O=C(C[N@@H+]1CC2C=CC1C2)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858525	1	51	0.0	-65.14	385.61	4.28	-60.86
O=C(C[N@H+]1CC2C=CC1C2)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858525	1	51	0.0	-65.52	385.53	4.28	-61.24
CC[NH+]1CCN(CC(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029858557	0	57	0.0	-70.55	423.26	2.55	-68.00
CC(C[NH+](C)C)C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858577	0	51	0.0	-68.74	385.06	3.64	-65.10
C[N@@H+]1CCCCC1CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858655	0	55	0.0	-63.31	398.96	4.57	-58.74
C[N@H+]1CCCCC1CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858655	1	55	0.0	-71.55	405.84	4.53	-67.02
CC1=C2C=C(C(=O)NCC34CCC3CCN4C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029858671	1	50	0.0	-71.12	399.01	6.52	-64.60
CC(C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300029858672	1	52	0.0	-63.44	395.20	4.05	-59.39
CC1CC[N@@H+]1CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858675	1	49	0.0	-64.01	372.28	3.22	-60.79
CC1CC[N@H+]1CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858675	1	49	0.0	-64.17	373.05	3.25	-60.92
C[NH+](C)CC(O)CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858680	0	52	0.0	-73.73	399.22	1.42	-72.31
CC1C[N@H+](C)CC(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)O1	REAL300029858708	1	53	0.0	-74.56	401.43	3.97	-70.59
CC1C[N@@H+](C)CC(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)O1	REAL300029858708	1	53	0.0	-71.01	398.48	3.55	-67.46
O=C(CC[NH+]1CCC(O)CC1)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858717	0	56	0.0	-70.44	422.30	1.59	-68.85
CCC[N@@H+]1CCCCC1C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858719	0	58	0.0	-60.94	420.84	5.68	-55.26
CCC[N@H+]1CCCCC1C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858719	1	58	0.0	-62.74	430.15	5.63	-57.11
C[NH+](C)[C@H]1C[C@H](C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300029858798	0	52	0.0	-72.79	396.91	4.24	-68.55
CC(CC[NH+](C)C)C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858806	0	54	0.0	-70.50	406.70	4.26	-66.24
C[N@H+](CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029858827	0	56	0.0	-59.18	420.02	2.08	-57.10
C[N@@H+](CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029858827	1	56	0.0	-62.78	417.37	1.72	-61.06
C[NH+]1CCN(CC(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029858839	1	54	0.0	-72.18	405.52	1.87	-70.31
CC[NH+]1CCN(CC(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029858848	0	57	0.0	-70.55	423.26	2.55	-68.00
NC(=[NH2+])SCC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858874	0	43	0.0	-68.76	355.18	-0.77	-69.53
CC[N@@H+]1CCOCC1CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858911	0	56	0.0	-69.89	415.08	2.98	-66.91
C[NH+](C)C1CCC(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029858927	0	58	0.0	-70.98	425.61	5.25	-65.73
C[NH+](C)CCC1(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029858928	0	55	0.0	-61.36	420.22	4.91	-56.45
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029858930	0	58	0.0	-56.54	419.16	5.12	-51.42
C[N@@H+]1CC=CCC1CC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858931	0	53	0.0	-61.32	395.51	4.86	-56.46
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CC1CCC[N@H+]1CC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029860185	1	52	0.0	-62.03	395.04	4.33	-57.70
CC(C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300029860246	0	58	0.0	-61.88	418.50	5.22	-56.66
CC(C)[N@@H+]1CCCC1C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029860265	0	55	0.0	-61.56	409.01	4.63	-56.93
CC(C)[N@H+]1CCCC1C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029860265	1	55	0.0	-65.38	395.99	4.85	-60.53
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029860270	0	58	0.0	-68.63	417.59	5.31	-63.32
CC(C)[N@H+]1CCCC1CC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029860270	1	58	0.0	-66.43	419.80	4.88	-61.55
CC1CC[N@H+](CC(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029860300	0	52	0.0	-63.87	394.42	4.19	-59.68
CC1CC[N@@H+](CC(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029860300	1	52	0.0	-62.68	396.60	4.51	-58.17
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CC1(C)CC[N@@H+](CC(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029860304	1	55	0.0	-62.76	415.75	5.03	-57.73
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C[NH+]1CCC(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029860922	0	52	0.0	-73.47	390.35	4.02	-69.45
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029860957	0	49	0.0	-58.48	369.15	3.30	-55.18
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029860957	1	49	0.0	-63.32	372.52	4.32	-59.00
C[N@@H+]1CCCC1CCC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029860983	0	55	0.0	-72.40	416.57	4.99	-67.41
C[N@H+]1CCCC1CCC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029860983	1	55	0.0	-67.28	410.91	4.54	-62.74
O=C(NCC12CCC1CCN2C(=O)C1CCC2CCCC[N@@H+]21)C1=CC(=O)[N-]O1	REAL300029860997	0	56	0.0	-58.91	409.61	4.96	-53.95
O=C(NCC12CCC1CCN2C(=O)C1CCC2CCCC[N@H+]21)C1=CC(=O)[N-]O1	REAL300029860997	1	56	0.0	-62.70	410.29	5.05	-57.65
CCC[N@@H+]1CCCC(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029861057	0	58	0.0	-58.25	425.09	5.98	-52.27
CCC[N@H+]1CCCC(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029861057	1	58	0.0	-59.15	425.01	5.88	-53.27
CC(C)[N@@H+]1CCOC(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029861070	1	56	0.0	-70.89	419.76	4.27	-66.62
CC(C)[N@H+]1CCOC(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029861070	1	56	0.0	-73.38	409.95	3.69	-69.69
O=C(C[NH+]1CCC(CO)CC1)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029861127	0	56	0.0	-66.23	422.63	1.60	-64.63
CC1C(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029861170	0	52	0.0	-61.39	386.78	3.67	-57.72
CC1C(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029861170	1	52	0.0	-70.30	386.34	3.87	-66.43
C[N@@H+]1CCCCC1CCC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029861172	0	58	0.0	-61.92	433.90	5.91	-56.01
C[N@H+]1CCCCC1CCC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029861172	1	58	0.0	-65.73	430.86	5.41	-60.32
NC1=[NH+]C2=C(C=C1C(=O)N1CCC3CCC31CNC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029861198	1	52	0.0	-58.87	399.66	4.11	-54.76
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029861247	0	55	0.0	-63.16	410.58	4.13	-59.03
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029861247	1	55	0.0	-60.81	411.06	4.30	-56.51
C[C@@H](C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029861265	0	48	0.0	-62.18	364.26	2.84	-59.34
C[NH+](C)CC1=CC(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)=CC=N1	REAL300029861279	1	54	0.0	-65.71	416.90	5.05	-60.66
C=CCC(C)(C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029861283	0	55	0.0	-77.82	390.57	5.17	-72.65
O=C(CC[NH+]1CCCC1)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029861308	0	52	0.0	-66.33	398.20	4.33	-62.00
C[N@H+](CCO)CC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029861317	1	49	0.0	-63.99	378.22	0.05	-63.94
C[N@@H+](CCO)CC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029861317	1	49	0.0	-65.62	378.01	0.04	-65.58
O=C(NCC12CCC1CCN2C(=O)C1C[N@@H+]2CCN1CCC2)C1=CC(=O)[N-]O1	REAL300029861350	0	55	0.0	-64.01	397.76	1.96	-62.05
O=C(NCC12CCC1CCN2C(=O)C1C[N@H+]2CCN1CCC2)C1=CC(=O)[N-]O1	REAL300029861350	1	55	0.0	-70.88	391.57	1.88	-69.00
CC(C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300029861369	1	53	0.0	-63.87	400.92	4.17	-59.70
C[N@H+]1CC=C(CC(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029861402	0	53	0.0	-65.06	408.69	4.80	-60.26
C[N@@H+]1CC=C(CC(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029861402	1	53	0.0	-63.29	408.68	4.80	-58.49
C[S+](C)CCC(O)C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029861414	0	51	0.0	-75.09	408.69	2.72	-72.37
CN1CC[N@H+](C)CC(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029861443	0	57	0.0	-60.95	417.76	2.53	-58.42
CN1CC[N@@H+](C)CC(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029861443	1	57	0.0	-59.17	419.05	2.39	-56.78
CC(C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300029861444	0	56	0.0	-66.86	415.98	2.30	-64.56
CC(C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1)[N@H+]1CCCC(O)C1	REAL300029861444	1	56	0.0	-66.55	416.63	1.32	-65.23
C[N@@H+]1CCCC(O)(CC(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029861475	0	56	0.0	-66.68	416.50	2.91	-63.77
C[N@H+]1CCCC(O)(CC(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029861475	1	56	0.0	-63.56	420.05	2.81	-60.75
CC1C[NH+](CC(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029861479	1	49	0.0	-63.94	381.04	3.54	-60.40
CC[N@@H+]1CCCC(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029861484	0	55	0.0	-57.26	399.33	5.80	-51.46
CC[N@H+]1CCCC(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029861484	1	55	0.0	-59.85	403.97	5.17	-54.68
NC1=[NH+]C=CC=C1CC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029861490	0	48	0.0	-63.31	383.29	2.33	-60.98
O=C(NCC12CCC1CCN2C(=O)C1CCC[N@@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300029861501	0	53	0.0	-64.83	378.12	4.69	-60.14
O=C(NCC12CCC1CCN2C(=O)C1CCC[N@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300029861501	1	53	0.0	-65.50	394.65	4.13	-61.37
O=C(C=CC[NH+]1CCCC1)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029861540	0	53	0.0	-68.26	410.66	4.86	-63.40
O=C(NCC12CCC1CCN2C(=O)C1CC[NH+](C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300029861561	0	56	0.0	-70.54	413.45	6.06	-64.48
CC[N@H+](C)CC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029861597	0	48	0.0	-64.89	366.80	3.15	-61.74
O=C(CN1CC2C=CC1C2)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029861649	0	51	0.0	-58.94	389.72	4.67	-54.27
O=C(C[N@@H+]1CC2C=CC1C2)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029861649	1	51	0.0	-63.12	391.31	4.94	-58.18
O=C(C[N@H+]1CC2C=CC1C2)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029861649	1	51	0.0	-63.12	391.31	4.94	-58.18
CC1=CC=C(NCCC(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)N=C1	REAL300029861669	0	54	0.0	-62.93	428.37	3.88	-59.05
CC1=CC=C(NCCC(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)[NH+]=C1	REAL300029861669	1	54	0.0	-62.93	428.37	3.88	-59.05
CC(OCC[NH+](C)C)C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029861775	0	55	0.0	-66.93	420.77	4.01	-62.92
C[NH+](C)CCOCCC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029861785	0	55	0.0	-65.77	426.33	3.27	-62.50
COCCN(C)CC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029861787	0	52	0.0	-66.10	400.26	2.45	-63.65
COCC[N@H+](C)CC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029861787	1	52	0.0	-64.14	400.47	2.45	-61.69
COCC[N@@H+](C)CC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029861787	1	52	0.0	-64.14	400.47	2.45	-61.69
CC(CCC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029861793	0	54	0.0	-65.61	406.61	4.20	-61.41
CC[N@H+](CC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029861817	0	52	0.0	-63.82	389.80	4.36	-59.46
CC1C[N@@H+]2CCN1C(C(=O)N1CCC3CCC31CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029861827	0	55	0.0	-64.52	400.35	1.61	-62.91
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029861856	1	52	0.0	-67.93	413.34	3.16	-64.77
O=C(C[N@@H+]1CC2CCC1C2)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029861862	0	53	0.0	-60.38	399.24	5.06	-55.32
O=C(C[N@H+]1CC2CCC1C2)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029861862	1	53	0.0	-64.53	393.27	4.35	-60.18
CC(C[NH+](C)C)C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029861881	0	51	0.0	-68.78	382.84	4.43	-64.35
C[C@H](C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029861915	0	48	0.0	-62.70	366.02	2.95	-59.75
CC[N@@H+]1CCC1C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029861924	1	49	0.0	-71.79	379.19	3.62	-68.17
CC[N@H+]1CCC1C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029861924	1	49	0.0	-71.21	379.09	3.67	-67.54
CC(C)[N@@H+]1CCCC(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029861934	0	58	0.0	-60.80	418.02	5.25	-55.55
CC(C)[N@H+]1CCCC(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029861934	1	58	0.0	-55.34	418.22	5.63	-49.71
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029861945	0	57	0.0	-61.04	417.21	3.95	-57.09
C#CC[N@H+]1CCCCC1C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029861986	1	54	0.0	-65.33	412.50	6.11	-59.22
C#CC[N@@H+]1CCCCC1C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029861986	1	54	0.0	-55.89	418.06	5.79	-50.10
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029861987	1	51	0.0	-62.17	395.40	4.00	-58.17
NC1=CC=[NH+]C=C1C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029861988	0	45	0.0	-71.92	354.33	1.33	-70.59
CCCC(C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029861997	0	54	0.0	-68.48	400.85	4.21	-64.27
CC(CC[NH+](C)C)C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029862019	0	54	0.0	-67.74	404.49	5.06	-62.68
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029862115	0	55	0.0	-66.77	405.87	5.15	-61.62
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029862115	1	55	0.0	-67.70	408.71	4.00	-63.70
C[NH+](C)CCCCCC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029862120	0	57	0.0	-69.23	436.37	5.40	-63.83
O=C(CC[NH+]1CCC(O)CC1)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029862124	0	56	0.0	-70.21	424.60	1.56	-68.65
CCC[N@@H+]1CCCCC1C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029862127	0	58	0.0	-62.72	431.00	5.70	-57.02
CCC[N@H+]1CCCCC1C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029862127	1	58	0.0	-67.90	422.58	5.46	-62.44
C[NH+]1CCN(CC(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029862136	1	54	0.0	-62.80	408.67	2.01	-60.79
CC1C[N@H+](C)CC(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300029862227	1	53	0.0	-83.72	396.94	3.13	-80.59
CC1C[N@@H+](C)CC(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300029862227	1	53	0.0	-69.15	394.52	4.10	-65.05
CCC1CCC[N@H+](CC(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029862257	0	58	0.0	-60.40	423.07	5.14	-55.26
CCC1CCC[N@@H+](CC(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029862257	1	58	0.0	-66.35	430.04	5.55	-60.80
C[NH+](C)CC1=CC=C(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)N1	REAL300029862265	0	53	0.0	-88.84	409.04	5.04	-83.80
O=C(C[NH+]1CC2CC2C1)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029862279	0	50	0.0	-65.11	384.41	4.36	-60.75
O=C(CC1([NH+]2CCCC2)CC1)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029862292	0	56	0.0	-62.29	414.98	5.33	-56.96
C[N@@H+]1CCCCC1C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029862324	0	52	0.0	-70.26	382.71	3.85	-66.41
C[N@H+]1CCCCC1C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029862324	1	52	0.0	-61.28	377.70	3.53	-57.75
C[N@@H+]1CCC(=CC(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029862424	0	50	0.0	-69.74	386.24	4.02	-65.72
C[N@H+]1CCC(=CC(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029862424	1	50	0.0	-69.47	387.46	4.03	-65.44
O=C(CNC1=CC=[NH+]C=C1)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029862429	0	48	0.0	-66.91	385.22	1.72	-65.19
CC[NH+]1CCN(CC(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029862478	0	57	0.0	-64.17	426.14	2.73	-61.44
O=C(C=C1C[NH+]2CCC1CC2)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029862479	0	54	0.0	-61.78	404.49	4.85	-56.93
C[N@H+](CC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029862518	0	56	0.0	-59.55	420.61	2.00	-57.55
C[N@@H+](CC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029862518	1	56	0.0	-61.26	423.44	2.19	-59.07
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029862535	0	49	0.0	-63.38	370.48	3.31	-60.07
C[N@H+]1CCC[C@H]1C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029862535	1	49	0.0	-59.53	368.77	3.08	-56.45
CCN1CCOCC1CC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029862563	0	56	0.0	-67.20	410.56	3.79	-63.41
CC[N@@H+]1CCOCC1CC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029862563	1	56	0.0	-70.75	413.68	2.99	-67.76
CC[N@H+]1CCOCC1CC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029862563	1	56	0.0	-70.75	413.68	2.99	-67.76
NC1=NC2=CC(C(=O)N3CCC4CCC43CNC(=O)C3=CC(=O)[N-]O3)=CC=C2N1	REAL300029862639	0	49	0.0	-71.55	388.18	4.22	-67.33
NC1=[NH+]C2=CC(C(=O)N3CCC4CCC43CNC(=O)C3=CC(=O)[N-]O3)=CC=C2N1	REAL300029862639	1	49	0.0	-71.55	388.18	4.22	-67.33
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029862672	0	52	0.0	-63.11	397.98	4.18	-58.93
C[NH+](C)C1CCC(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029862686	0	58	0.0	-69.80	417.60	4.96	-64.84
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029862688	0	58	0.0	-69.55	417.00	4.82	-64.73
C[N@@H+]1CC=CCC1CC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029862689	0	53	0.0	-61.72	395.45	4.51	-57.21
C[N@H+]1CC=CCC1CC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029862689	1	53	0.0	-61.72	395.45	4.51	-57.21
CC1=CC(C=CC(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)=CN=C1N	REAL300029862736	0	52	0.0	-69.98	413.52	3.41	-66.57
CC1=CC(C=CC(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)=C[NH+]=C1N	REAL300029862736	1	52	0.0	-69.98	413.52	3.41	-66.57
C[NH+](C)CCOCC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029862748	0	52	0.0	-67.92	405.38	3.51	-64.41
CCCCC[N@H+](C)CCC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029862754	0	60	0.0	-68.77	454.10	6.00	-62.77
CCCCC[N@@H+](C)CCC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029862754	1	60	0.0	-68.77	454.10	6.00	-62.77
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300029862764	0	56	0.0	-68.65	424.56	4.30	-64.35
[NH2+]=C1SC=CN1CC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029862782	0	45	0.0	-61.38	376.85	2.62	-58.76
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029862844	0	55	0.0	-64.03	419.57	4.87	-59.16
O=C(CC[NH+]1CCCCCC1)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029862878	0	58	0.0	-67.53	423.52	5.10	-62.43
O=C(C[NH+]1CCCCC1)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029862882	0	52	0.0	-63.26	391.44	4.38	-58.88
C[N@@H+]1CCCC(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029862884	0	52	0.0	-68.40	388.64	4.81	-63.59
C[N@H+]1CCCC(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029862884	1	52	0.0	-61.10	383.64	4.03	-57.07
O=C(C[NH+]1CCC(CO)CC1)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029862885	0	56	0.0	-66.23	422.63	1.60	-64.63
O=C(C[NH+]1CCCCCC1)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029862888	0	55	0.0	-65.51	400.58	4.49	-61.02
CN1C=C[N+](CC(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029862893	0	47	0.0	-60.32	381.10	6.07	-54.25
C[NH+](C)CC1=CC=C(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300029862908	1	52	0.0	-78.83	409.99	4.25	-74.58
C[NH+](C)CC1=CC=C(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)C=N1	REAL300029862913	0	54	0.0	-77.90	416.85	4.96	-72.94
O=C(C[NH+]1CCC(O)CC1)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029862924	1	53	0.0	-70.20	401.86	1.00	-69.20
C[N@H+](CC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029862929	0	49	0.0	-60.93	379.14	3.97	-56.96
C[N@@H+](CC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029862929	1	49	0.0	-62.07	378.91	3.85	-58.22
CC(C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300029862931	1	57	0.0	-60.84	414.83	2.95	-57.89
O=C(CC[N@H+]1CCC(F)C1)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029862934	0	52	0.0	-71.19	407.14	4.76	-66.43
O=C(CC[N@@H+]1CCC(F)C1)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029862934	1	52	0.0	-71.77	403.10	4.27	-67.50
CC(CC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029862958	0	54	0.0	-67.18	406.69	4.47	-62.71
O=C(NCC12CCC1CCN2C(=O)C1CC[N@@H+]2CCOCC12)C1=CC(=O)[N-]O1	REAL300029862973	0	54	0.0	-70.34	403.94	2.59	-67.75
O=C(NCC12CCC1CCN2C(=O)C1CC[N@H+]2CCOCC12)C1=CC(=O)[N-]O1	REAL300029862973	1	54	0.0	-67.28	405.87	2.89	-64.39
CC1=[NH+]C=C2C=CC(C(=O)N3CCC4CCC43CNC(=O)C3=CC(=O)[N-]O3)=CN21	REAL300029862978	0	50	0.0	-67.20	394.44	6.28	-60.92
C[N@@H+]1CCOCC1CC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029862995	1	53	0.0	-76.81	398.93	3.20	-73.61
C[N@H+]1CCOCC1CC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029862995	1	53	0.0	-71.23	401.08	2.47	-68.76
CC[NH+]1CCN(CC(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029863001	0	57	0.0	-64.17	426.14	2.73	-61.44
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029863044	1	48	0.0	-74.76	375.66	2.77	-71.99
NC1=CC=C(CCC(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)C=[NH+]1	REAL300029863047	0	51	0.0	-68.13	408.08	3.02	-65.11
CC1(O)CC[N@H+](CC(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029863081	0	53	0.0	-62.90	406.99	1.16	-61.74
CC1(O)CC[N@@H+](CC(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029863081	1	53	0.0	-64.67	405.62	0.92	-63.75
C[NH+]1CC(CC(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029863114	0	49	0.0	-64.70	380.95	3.29	-61.41
O=C(NCC12CCC1CCN2C(=O)C1CC[N@@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300029863119	0	56	0.0	-66.31	424.29	5.92	-60.39
O=C(NCC12CCC1CCN2C(=O)C1CC[N@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300029863119	1	56	0.0	-62.74	416.31	5.18	-57.56
C[NH+](C)CC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029863127	0	45	0.0	-65.30	349.50	2.44	-62.86
C[N@H+](CCO)CCC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029863154	0	52	0.0	-68.05	399.95	0.48	-67.57
C[N@@H+](CCO)CCC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029863154	1	52	0.0	-66.51	398.95	0.50	-66.01
C[C@@H](C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029863155	0	48	0.0	-62.18	364.26	2.84	-59.34
C[N@@H+]1CCCCC1CC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029863173	0	55	0.0	-54.23	401.04	4.57	-49.66
C[N@H+]1CCCCC1CC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029863173	1	55	0.0	-70.71	407.79	4.66	-66.05
CC1=C2C=C(C(=O)N3CCC4CCC43CNC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029863192	1	50	0.0	-76.83	395.48	7.07	-69.76
CC(C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300029863193	0	52	0.0	-64.38	395.46	4.90	-59.48
CC1CC[N@@H+]1CC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029863196	1	49	0.0	-63.94	374.95	3.26	-60.68
CC1CC[N@H+]1CC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029863196	1	49	0.0	-62.46	381.48	3.70	-58.76
C[NH+](C)CC=CC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029863207	0	49	0.0	-68.83	385.58	3.69	-65.14
CC1(C)C[NH+](CC(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029863219	1	52	0.0	-65.05	400.11	4.06	-60.99
CC1=C(C)[NH+]=C(CCC(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)N1	REAL300029863237	1	53	0.0	-61.07	419.74	3.77	-57.30
CC1=C2C=C(C(=O)N3CCC4CCC43CNC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029863247	1	50	0.0	-76.83	395.48	7.07	-69.76
C[NH+](C)CCSCC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029863256	0	52	0.0	-72.87	416.40	4.43	-68.44
O=C(C[N@H+]1CCCC1CO)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029863280	0	53	0.0	-64.45	402.34	1.02	-63.43
O=C(C[N@@H+]1CCCC1CO)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029863280	1	53	0.0	-62.35	405.72	1.58	-60.77
CC[NH+](CC)CC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029863284	0	51	0.0	-64.18	383.05	4.71	-59.47
C[N@H+](CC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029863295	0	53	0.0	-70.83	408.26	4.74	-66.09
C[N@@H+](CC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029863295	1	53	0.0	-68.46	409.48	4.83	-63.63
O=C(C[NH+]1CCC1)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029863297	1	46	0.0	-65.48	359.61	2.87	-62.61
CC[NH+](CC)CCC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029863336	0	54	0.0	-65.91	407.31	4.41	-61.50
C[NH+](C)CC1=CNC(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029863391	0	53	0.0	-75.88	408.70	4.97	-70.91
CC(C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300029863406	0	56	0.0	-67.17	418.71	1.46	-65.71
O=C(NCC12CCC1CCN2C(=O)C1CC2COCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300029863411	0	54	0.0	-68.67	406.24	2.71	-65.96
O=C(NCC12CCC1CCN2C(=O)C1CC2COCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300029863411	1	54	0.0	-69.34	405.82	2.77	-66.57
CC(C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300029863424	1	49	0.0	-69.20	369.40	4.19	-65.01
CCC(CC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029863431	0	57	0.0	-64.61	425.36	5.11	-59.50
NC1=CC=C(C=CC(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)C=[NH+]1	REAL300029863436	0	49	0.0	-70.91	395.71	2.66	-68.25
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029863488	0	52	0.0	-58.23	380.43	3.94	-54.29
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029863488	1	52	0.0	-65.10	388.34	4.75	-60.35
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029863501	0	55	0.0	-77.01	399.99	1.29	-75.72
CC1CN2CC[N@H+]1CC2C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029863501	1	55	0.0	-78.18	395.49	1.25	-76.93
C[NH+](C)CC(O)CC(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029863521	0	52	0.0	-70.95	402.35	1.49	-69.46
C[NH+]1C2CCC1CC(C(=O)N1CCC3CCC31CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029863524	0	56	0.0	-70.78	377.38	4.12	-66.66
C=CCC(C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029863556	0	52	0.0	-67.95	393.30	3.94	-64.01
O=C(NCC12CCC1CCN2C(=O)C1CC2CCCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300029863563	0	56	0.0	-71.89	414.78	5.13	-66.76
O=C(NCC12CCC1CCN2C(=O)C1CC2CCCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300029863563	1	56	0.0	-65.13	414.56	5.27	-59.86
C[NH+]1CCC(O)(CC(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029863572	0	56	0.0	-69.73	420.13	2.75	-66.98
CC1=C2C=C(C(=O)NCC34CCC3CCN4C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029863651	1	50	0.0	-71.12	399.01	6.52	-64.60
C[NH+](C)CCSCC(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029863660	0	52	0.0	-75.62	413.55	4.31	-71.31
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1CC2COCC[N@@H+]2C1	REAL300029863668	0	54	0.0	-68.27	405.64	2.74	-65.53
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1CC2COCC[N@H+]2C1	REAL300029863668	1	54	0.0	-69.23	405.13	2.73	-66.50
CC(CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC[N@@H+]1C	REAL300029863787	0	58	0.0	-59.80	425.65	6.43	-53.37
CC(CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC[N@H+]1C	REAL300029863787	1	58	0.0	-77.21	430.09	5.68	-71.53
CCC(C(=O)NC(C)CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029863910	0	60	0.0	-73.11	418.96	5.16	-67.95
CCC[N@H+](C)CC(=O)NC(C)CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029863916	0	60	0.0	-75.81	428.41	5.57	-70.24
CCC[N@@H+](C)CC(=O)NC(C)CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029863916	1	60	0.0	-75.62	428.41	5.54	-70.08
CC(CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCC[N@@H+]1C	REAL300029863924	0	58	0.0	-77.49	429.95	5.77	-71.72
CC(CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCC[N@H+]1C	REAL300029863924	1	58	0.0	-74.13	409.21	4.70	-69.43
CC[NH+](CC)CC(=O)NC(C)CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029863930	0	60	0.0	-74.16	425.05	5.51	-68.65
CC[N@H+](C)CCC(=O)NC(C)CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029863992	0	60	0.0	-76.41	429.30	5.41	-71.00
CC[N@@H+](C)CCC(=O)NC(C)CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029863992	1	60	0.0	-76.34	429.30	5.40	-70.94
CC[C@@H](C(=O)NC(C)CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029863995	0	60	0.0	-71.80	418.54	5.25	-66.55
CC(CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+](C)C	REAL300029864015	0	54	0.0	-75.99	389.18	4.16	-71.83
CC(CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)[NH+]1CCC1	REAL300029864020	1	58	0.0	-73.06	418.99	5.17	-67.89
CC(CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@H+](C)C1CC1	REAL300029864027	0	58	0.0	-72.57	418.45	5.56	-67.01
CC(CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@@H+](C)C1CC1	REAL300029864027	1	58	0.0	-73.07	418.45	5.55	-67.52
CC(CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)NC(=O)CC1C[NH+](C)C1	REAL300029864033	0	58	0.0	-75.08	420.63	4.96	-70.12
CC(CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)[NH+](C)C	REAL300029864042	0	57	0.0	-74.95	407.22	4.60	-70.35
CC(CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)[NH+](C)C	REAL300029864067	0	57	0.0	-74.95	407.22	4.60	-70.35
CC(CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+]1CCC1	REAL300029864087	1	55	0.0	-75.90	399.23	4.56	-71.34
CC(CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H](C)[NH+](C)C	REAL300029864100	0	57	0.0	-73.59	407.37	4.62	-68.97
CC(CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+]1CC(C)C1	REAL300029864108	1	58	0.0	-75.61	420.54	5.27	-70.34
CC(CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@H+](C)CCO	REAL300029864119	1	58	0.0	-75.96	417.21	1.58	-74.38
CC(CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@@H+](C)CCO	REAL300029864119	1	58	0.0	-76.67	417.21	1.61	-75.06
CC[N@H+](C)CC(=O)NC(C)CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029864127	0	57	0.0	-75.54	406.91	4.81	-70.73
CC[N@@H+](C)CC(=O)NC(C)CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029864127	1	57	0.0	-75.41	406.86	4.82	-70.59
CC(CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC[NH+](C)C	REAL300029864148	0	58	0.0	-79.21	425.14	5.36	-73.85
CC[N@@H+]1CCC1C(=O)NC(C)CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029864155	1	58	0.0	-75.56	420.84	5.11	-70.45
CC[N@H+]1CCC1C(=O)NC(C)CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029864155	1	58	0.0	-60.40	423.73	6.07	-54.33
CC(CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)[NH+](C)C	REAL300029864171	0	60	0.0	-82.97	416.64	5.31	-77.66
CC(CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)NC(=O)C1([NH+](C)C)CC1	REAL300029864199	0	58	0.0	-60.17	421.96	7.00	-53.17
CC(CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)C[NH+](C)C	REAL300029864222	0	60	0.0	-67.73	426.14	5.60	-62.13
CC(CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@@H+]1CCC1C	REAL300029864234	1	58	0.0	-74.10	414.79	4.91	-69.19
CC(CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@H+]1CCC1C	REAL300029864234	1	58	0.0	-60.55	424.96	6.26	-54.29
CC(CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)NC(=O)CSC(N)=[NH2+]	REAL300029864260	0	52	0.0	-77.33	397.13	1.14	-76.19
CC(CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CCC[N@@H+]1C	REAL300029864293	0	58	0.0	-74.15	409.60	4.71	-69.44
CC(CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CCC[N@H+]1C	REAL300029864293	1	58	0.0	-72.07	414.86	5.10	-66.97
CC(CC1CC2CCC(C1)N2C(=O)C1CCC[N@@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL300029864415	0	58	0.0	-54.95	425.30	6.44	-48.51
CC(CC1CC2CCC(C1)N2C(=O)C1CCC[N@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL300029864415	1	58	0.0	-56.20	420.87	6.04	-50.16
CCC(C(=O)N1C2CCC1CC(CC(C)NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029864505	0	60	0.0	-71.31	414.23	4.98	-66.33
CCC[N@H+](C)CC(=O)N1C2CCC1CC(CC(C)NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029864509	0	60	0.0	-74.94	441.92	6.96	-67.98
CCC[N@@H+](C)CC(=O)N1C2CCC1CC(CC(C)NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029864509	1	60	0.0	-75.40	431.48	5.68	-69.72
CC[N@H+](C)CCC(=O)N1C2CCC1CC(CC(C)NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029864529	0	60	0.0	-58.31	443.10	6.82	-51.49
CC[N@@H+](C)CCC(=O)N1C2CCC1CC(CC(C)NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029864529	1	60	0.0	-78.27	432.38	5.51	-72.76
CC[C@@H](C(=O)N1C2CCC1CC(CC(C)NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029864574	0	60	0.0	-70.98	420.43	5.17	-65.81
CC(CC1CC2CCC(C1)N2C(=O)[C@H]1CCC[N@@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL300029864625	0	58	0.0	-64.84	428.27	5.63	-59.21
CC(CC1CC2CCC(C1)N2C(=O)[C@H]1CCC[N@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL300029864625	1	58	0.0	-76.56	410.34	4.74	-71.82
CC(CC1CC2CCC(C1)N2C(=O)[C@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL300029864689	0	57	0.0	-73.44	408.65	4.64	-68.80
CC(CC1CC2CCC(C1)N2C(=O)C[N@H+](C)CCO)NC(=O)C1=CC(=O)[N-]O1	REAL300029864701	1	58	0.0	-75.74	420.32	1.69	-74.05
CC(CC1CC2CCC(C1)N2C(=O)C[N@@H+](C)CCO)NC(=O)C1=CC(=O)[N-]O1	REAL300029864701	1	58	0.0	-56.80	430.60	2.98	-53.82
CC(CC1CC2CCC(C1)N2C(=O)C[NH+]1CC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300029864722	1	58	0.0	-75.79	423.95	5.40	-70.39
CC[N@H+](C)CC(=O)N1C2CCC1CC(CC(C)NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029864740	0	57	0.0	-56.76	420.47	6.20	-50.56
CC[N@@H+](C)CC(=O)N1C2CCC1CC(CC(C)NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029864740	1	57	0.0	-75.13	409.98	4.93	-70.20
CC(CC1CC2CCC(C1)N2C(=O)C(C)C[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL300029864777	0	60	0.0	-71.87	423.96	5.28	-66.59
CC(CC1CC2CCC(C1)N2C(=O)C1([NH+](C)C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029864780	0	58	0.0	-80.90	412.64	4.72	-76.18
CC(CC1CC2CCC(C1)N2C(=O)[C@@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL300029864785	0	57	0.0	-73.83	402.11	4.48	-69.35
CC[N@@H+]1CCC1C(=O)N1C2CCC1CC(CC(C)NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029864788	0	58	0.0	-55.18	424.15	6.07	-49.11
CC[N@H+]1CCC1C(=O)N1C2CCC1CC(CC(C)NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029864788	1	58	0.0	-54.82	425.30	6.16	-48.66
CC(CC1CC2CCC(C1)N2C(=O)C1=C[NH+]=CC=C1N)NC(=O)C1=CC(=O)[N-]O1	REAL300029864796	0	54	0.0	-77.61	397.07	2.09	-75.52
CC(CC1CC2CCC(C1)N2C(=O)C(C)(C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL300029864801	0	60	0.0	-76.87	410.29	4.62	-72.25
CC(CC1CC2CCC(C1)N2C(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL300029864871	0	58	0.0	-65.82	410.14	4.77	-61.05
CC(CC1CC2CCC(C1)N2C(=O)[C@@H]1CCC[N@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL300029864871	1	58	0.0	-66.00	414.33	5.11	-60.89
CC(CC1CC2CCC(C1)N2C(=O)C[N@H+](C)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029864919	0	58	0.0	-72.75	421.71	5.68	-67.07
CC(CC1CC2CCC(C1)N2C(=O)C[N@@H+](C)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029864919	1	58	0.0	-72.31	432.11	6.96	-65.35
CC(CC1CC2CCC(C1)N2C(=O)CC1C[NH+](C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300029864950	0	58	0.0	-76.73	423.53	5.12	-71.61
CC(CC1CC2CCC(C1)N2C(=O)C[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL300029864955	0	54	0.0	-75.99	392.24	4.26	-71.73
CC(CC1CC2CCC(C1)N2C(=O)[C@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL300029864960	0	57	0.0	-73.44	408.65	4.64	-68.80
CC(CC1CC2CCC(C1)N2C(=O)C[N@@H+]1CCC1C)NC(=O)C1=CC(=O)[N-]O1	REAL300029864969	0	58	0.0	-67.27	423.97	5.35	-61.92
CC(CC1CC2CCC(C1)N2C(=O)C[N@H+]1CCC1C)NC(=O)C1=CC(=O)[N-]O1	REAL300029864969	1	58	0.0	-73.60	418.24	5.02	-68.58
CC(CC1CC2CCC(C1)N2C(=O)C=CC[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL300029864970	0	58	0.0	-61.71	437.56	6.76	-54.95
CC[NH+](CC)CC(=O)N1C2CCC1CC(CC(C)NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029864979	0	60	0.0	-73.42	438.94	6.92	-66.50
CC(CC1CC2CCC(C1)N2C(=O)C[NH+]1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029864982	1	55	0.0	-75.97	402.96	4.77	-71.20
CC(CC1CC2CCC(C1)N2C(=O)C(C)[NH+]1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029865008	0	58	0.0	-66.28	408.34	4.73	-61.55
C[N@@H+]1CCCC1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029865216	0	52	0.0	-71.53	383.15	4.66	-66.87
C[N@H+]1CCCC1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029865216	1	52	0.0	-76.66	383.11	4.65	-72.01
C[N@@H+]1CCOC(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029865240	1	53	0.0	-82.76	397.84	4.45	-78.31
C[N@H+]1CCOC(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029865240	1	53	0.0	-78.17	390.56	4.25	-73.92
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029865396	0	58	0.0	-66.48	420.51	6.08	-60.40
CC(C)[N@H+]1CCCC1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029865396	1	58	0.0	-74.86	416.07	6.57	-68.29
CC1=[NH+]C=CN1CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029865429	1	50	0.0	-72.76	393.87	5.83	-66.93
O=C(C1=CC(=O)[N-]O1)N1CCCC1C1CCN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300029865457	0	56	0.0	-88.51	402.31	5.72	-82.79
C[C@@H]1[C@H](C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029865491	0	55	0.0	-80.94	400.93	5.19	-75.75
C[C@@H]1[C@H](C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029865491	1	55	0.0	-82.96	405.75	5.37	-77.59
CC[C@@H]1[C@@H](C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029865493	0	58	0.0	-80.87	416.44	5.65	-75.22
CC[C@@H]1[C@@H](C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029865493	1	58	0.0	-77.40	419.16	6.09	-71.31
CC[N@@H+]1CCOC(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029865500	1	56	0.0	-78.71	405.88	4.84	-73.87
CC[N@H+]1CCOC(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029865500	1	56	0.0	-71.19	408.16	4.84	-66.35
CC[NH+](CC)CC(F)C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029865528	0	57	0.0	-79.95	426.09	6.03	-73.92
CC1CCC(C)[NH+]1CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029865564	0	58	0.0	-70.55	422.79	6.02	-64.53
O=C(CCC[NH+]1CCCC1)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029865567	0	58	0.0	-77.76	433.74	6.63	-71.13
O=C(CC[NH+]1CCCCC1)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029865570	0	58	0.0	-77.12	429.52	6.64	-70.48
CC[N@@H+]1CCCCC1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029865573	0	58	0.0	-72.29	415.75	6.06	-66.23
CC[N@H+]1CCCCC1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029865573	1	58	0.0	-69.48	423.85	6.33	-63.15
C[NH+](C)C1(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300029865584	0	55	0.0	-81.02	391.97	5.15	-75.87
CC(C)[C@@H](C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029865591	0	57	0.0	-72.05	407.92	5.85	-66.20
C[N@H+](CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029865616	0	55	0.0	-72.56	411.70	6.24	-66.32
C[N@@H+](CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029865616	1	55	0.0	-71.59	409.26	6.08	-65.51
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029865692	1	54	0.0	-73.66	409.79	5.87	-67.79
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029865692	1	54	0.0	-72.19	410.88	6.19	-66.00
C[N@@H+]1CCCC1CCC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029865697	0	58	0.0	-72.97	426.07	6.23	-66.74
C[N@H+]1CCCC1CCC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029865697	1	58	0.0	-77.73	425.45	6.16	-71.57
C[NH+]1CCC(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029865717	0	55	0.0	-84.66	406.75	5.63	-79.03
C[N@@H+]1CCCCC1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029865756	0	55	0.0	-76.64	396.21	5.38	-71.26
C[N@H+]1CCCCC1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029865756	1	55	0.0	-78.76	397.89	5.41	-73.35
O=C(C1=CC(=O)[N-]O1)N1CCCC1C1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300029865826	0	50	0.0	-68.93	398.09	7.53	-61.40
O=C(CC[NH+]1CCOCC1)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029865833	1	56	0.0	-80.56	420.83	4.20	-76.36
CC1=C[NH+]=CN1CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029865846	1	50	0.0	-73.51	394.19	6.55	-66.96
O=C(C1=CC(=O)[N-]O1)N1CCCC1C1CCN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300029865867	0	56	0.0	-66.18	401.72	5.55	-60.63
C[N@@H+]1CCC(CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029865878	0	55	0.0	-82.44	409.45	5.72	-76.72
C[N@H+]1CCC(CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029865878	1	55	0.0	-81.15	410.36	5.75	-75.40
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029865884	0	54	0.0	-70.71	413.46	4.07	-66.64
CCC(C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029865886	0	54	0.0	-75.97	395.54	5.21	-70.76
O=C(C1=CC(=O)[N-]O1)N1CCCC1C1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300029865913	1	50	0.0	-75.18	399.98	7.56	-67.62
C[NH+](C)CCCCC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029865945	0	57	0.0	-81.01	430.92	6.33	-74.68
CC(C)C(C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029865959	0	57	0.0	-76.91	410.50	5.81	-71.10
CCC[N@H+](C)CCC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029865960	0	57	0.0	-78.70	427.10	6.15	-72.55
CCC[N@@H+](C)CCC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029865960	1	57	0.0	-78.60	427.16	6.15	-72.45
CCC[N@H+](C)CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029865964	0	54	0.0	-73.65	402.37	5.51	-68.14
CCC[N@@H+](C)CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029865964	1	54	0.0	-74.36	404.82	5.59	-68.77
O=C(C1=CC(=O)[N-]O1)N1CCCC1C1CCN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300029865979	0	56	0.0	-79.28	398.04	4.99	-74.29
O=C(C1=CC(=O)[N-]O1)N1CCCC1C1CCN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300029865979	1	56	0.0	-78.05	396.75	5.00	-73.05
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866005	0	52	0.0	-71.87	384.09	4.70	-67.17
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866005	1	52	0.0	-69.03	387.67	5.04	-63.99
CC[NH+](CC)CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866040	0	54	0.0	-73.04	397.05	5.24	-67.80
CC1CC[NH+](CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029866101	0	58	0.0	-75.17	427.35	6.67	-68.50
C[NH+](C)CC1(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029866123	0	55	0.0	-70.85	413.09	5.76	-65.09
C[NH+]1CCC(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029866176	0	55	0.0	-84.66	406.75	5.63	-79.03
CC(C)[C@H](C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029866192	0	57	0.0	-74.01	406.15	5.60	-68.41
CCC(C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029866220	0	60	0.0	-67.48	425.12	6.32	-61.16
CC[N@H+](C)CCC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866261	0	54	0.0	-78.04	405.60	5.42	-72.62
CC[N@@H+](C)CCC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866261	1	54	0.0	-78.15	405.60	5.42	-72.73
CC1CCC[N@@H+]1CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866291	0	55	0.0	-71.13	411.62	5.82	-65.31
CC1CCC[N@H+]1CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866291	1	55	0.0	-71.23	411.53	5.84	-65.39
CC1CC[N@H+](CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029866293	0	55	0.0	-72.57	408.47	5.77	-66.80
CC1CC[N@@H+](CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029866293	1	55	0.0	-73.33	408.94	5.87	-67.46
CC1(C)CC[N@H+](CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029866297	0	58	0.0	-73.59	429.41	6.51	-67.08
CC1(C)CC[N@@H+](CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029866297	1	58	0.0	-73.32	430.50	6.40	-66.92
C[N@H+](CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029866298	0	60	0.0	-73.70	430.98	6.50	-67.20
C[N@@H+](CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029866298	1	60	0.0	-74.28	435.97	6.73	-67.55
CC[C@@H](C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029866306	0	54	0.0	-72.17	394.66	5.21	-66.96
C[NH+](C)CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866410	0	48	0.0	-74.92	365.56	4.17	-70.75
O=C(C[NH+]1CCCCCC1)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866414	0	58	0.0	-74.18	416.41	6.30	-67.88
CN1C=C[N+](CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029866417	0	50	0.0	-72.45	394.37	7.61	-64.84
C[N@@H+]1CCCC(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029866422	0	55	0.0	-69.22	399.39	5.87	-63.35
C[N@H+]1CCCC(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029866422	1	55	0.0	-60.25	397.80	5.79	-54.46
O=C(C1=CC(=O)[N-]O1)N1CCCC1C1CCN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300029866427	0	56	0.0	-73.59	416.97	6.20	-67.39
O=C(C1=CC(=O)[N-]O1)N1CCCC1C1CCN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300029866427	1	56	0.0	-71.85	414.69	5.98	-65.87
CC(C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029866443	0	52	0.0	-73.00	382.20	4.69	-68.31
CCC(CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029866447	0	60	0.0	-80.93	436.81	6.68	-74.25
C[NH+](C)CC(C)(C)C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866452	0	57	0.0	-69.34	404.51	5.66	-63.68
O=C(C[NH+]1CCC(O)CC1)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866467	0	56	0.0	-79.81	417.59	2.71	-77.10
C[N@H+](CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029866468	0	52	0.0	-71.53	394.77	5.59	-65.94
C[N@@H+](CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029866468	1	52	0.0	-72.13	394.97	5.59	-66.54
C[NH+]1CC(CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029866484	0	52	0.0	-76.98	396.63	4.94	-72.04
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866495	0	58	0.0	-74.14	403.89	5.29	-68.85
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866495	1	58	0.0	-71.13	404.16	5.24	-65.89
C[C@@H](C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029866506	0	51	0.0	-73.35	380.39	4.46	-68.89
[NH2+]=C1SC=CN1CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866565	0	48	0.0	-69.85	392.54	4.44	-65.41
C[N@H+](CCO)CCC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866572	0	55	0.0	-77.11	416.01	2.19	-74.92
C[N@@H+](CCO)CCC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866572	1	55	0.0	-76.82	415.71	2.21	-74.61
C[C@@H](C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029866573	0	51	0.0	-73.35	380.39	4.46	-68.89
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866577	0	55	0.0	-73.85	397.87	5.42	-68.43
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866577	1	55	0.0	-70.42	404.81	5.79	-64.63
O=C(C[NH+]1CCC1)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866627	1	49	0.0	-75.10	375.81	4.66	-70.44
C[N@@H+]1CCC(=CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029866646	0	53	0.0	-81.56	402.56	5.70	-75.86
C[N@H+]1CCC(=CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029866646	1	53	0.0	-76.06	403.62	5.72	-70.34
C[NH+](C)CCOCC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866669	0	55	0.0	-68.23	419.35	5.29	-62.94
C=CCC(C)(C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029866683	0	58	0.0	-78.79	407.12	5.90	-72.89
C[S+](C)CCC(O)C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866687	0	54	0.0	-79.71	425.99	3.67	-76.04
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866706	0	56	0.0	-70.35	405.24	1.68	-68.67
CC1CN(CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029866725	0	52	0.0	-76.05	395.73	5.42	-70.63
CC1C[NH+](CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029866725	1	52	0.0	-76.05	395.73	5.42	-70.63
CN(CCO)CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866743	0	52	0.0	-76.07	393.67	1.61	-74.46
C[N@H+](CCO)CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866743	1	52	0.0	-76.03	393.48	1.69	-74.34
C[N@@H+](CCO)CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866743	1	52	0.0	-76.03	393.48	1.69	-74.34
CC[N@@H+]1CCCC(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029866763	0	58	0.0	-74.37	423.26	6.20	-68.17
CC[N@H+]1CCCC(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029866763	1	58	0.0	-74.37	423.26	6.20	-68.17
CC(CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029866765	0	57	0.0	-78.99	422.75	6.19	-72.80
CC[N@H+](C)CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866770	0	51	0.0	-74.23	383.32	4.84	-69.39
CC[N@H+](CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029866803	0	55	0.0	-73.01	406.84	6.08	-66.93
CC[NH+](CC)CCC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866813	0	57	0.0	-77.12	422.77	6.09	-71.03
CC1(C)CN(CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029866831	0	55	0.0	-74.81	414.03	5.73	-69.08
CC1(C)C[NH+](CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029866831	1	55	0.0	-74.81	414.03	5.73	-69.08
CC1(O)CC[N@H+](CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029866849	0	56	0.0	-71.79	419.15	2.50	-69.29
CC1(O)CC[N@@H+](CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029866849	1	56	0.0	-73.44	420.24	2.65	-70.79
C[NH+](C)CC=CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866853	0	52	0.0	-72.10	399.96	5.39	-66.71
CC(OCC[NH+](C)C)C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866862	0	58	0.0	-62.29	436.52	5.75	-56.54
C[NH+](C)CCOCCC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866868	0	58	0.0	-79.40	442.32	5.00	-74.40
COCC[N@H+](C)CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866869	1	55	0.0	-75.98	415.73	4.09	-71.89
COCC[N@@H+](C)CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866869	1	55	0.0	-75.37	415.82	4.09	-71.28
C[NH+](C)C1(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029866889	0	58	0.0	-69.59	399.08	5.35	-64.24
CC(CCC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029866891	0	57	0.0	-83.16	418.59	5.91	-77.25
CC[N@@H+]1CCC1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866897	0	52	0.0	-75.38	394.99	5.06	-70.32
CC[N@H+]1CCC1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866897	1	52	0.0	-70.12	397.10	5.17	-64.95
O=C(C[N@H+]1CCCC1CO)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866910	0	56	0.0	-69.52	418.60	2.67	-66.85
O=C(C[N@@H+]1CCCC1CO)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866910	1	56	0.0	-73.41	414.01	2.34	-71.07
C[NH+]1CCC(C)(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029866932	0	58	0.0	-70.82	412.31	5.78	-65.04
C=CCC(C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029866951	0	55	0.0	-70.96	403.91	5.46	-65.50
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866958	0	58	0.0	-75.31	422.77	5.78	-69.53
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866958	1	58	0.0	-73.56	426.87	6.25	-67.31
C[NH+](C)CCCCCC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866960	0	60	0.0	-80.42	452.42	7.12	-73.30
O=C(C[NH+]1CC2CC2C1)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866965	0	53	0.0	-74.99	400.94	6.14	-68.85
CCCC(C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029866981	0	57	0.0	-74.00	415.46	5.85	-68.15
C[NH+](C)C(C)(C)C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866984	0	54	0.0	-81.82	383.34	5.12	-76.70
C[N@@H+]1CCCCC1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029867010	0	55	0.0	-76.64	396.21	5.38	-71.26
C[N@H+]1CCCCC1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029867010	1	55	0.0	-78.76	397.89	5.41	-73.35
C[N@H+]1CC=C(CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029867034	0	56	0.0	-75.97	422.86	6.49	-69.48
C[N@@H+]1CC=C(CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029867034	1	56	0.0	-73.02	423.57	6.53	-66.49
O=C(C=CC[NH+]1CCCC1)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029867074	0	56	0.0	-80.32	425.36	6.44	-73.88
C[NH+](C)C1(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029867105	0	52	0.0	-79.26	384.40	4.70	-74.56
O=C(CC[NH+]1CCCC1)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029867107	0	55	0.0	-78.42	412.26	5.83	-72.59
O=C(C1=CC(=O)[N-]O1)N1CCCC1C1CCN(C(=O)C2C[NH+]3CCN2CC3)C1	REAL300029867131	0	55	0.0	-81.75	398.11	2.36	-79.39
C[N@@H+]1CC2CC1(C(=O)N1CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029867136	0	53	0.0	-81.04	391.24	5.31	-75.73
C[N@H+]1CC2CC1(C(=O)N1CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029867136	1	53	0.0	-80.10	389.76	4.89	-75.21
O=C(C[N@@H+]1CC2CCC1C2)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029867143	0	56	0.0	-72.17	412.30	6.28	-65.89
O=C(C[N@H+]1CC2CCC1C2)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029867143	1	56	0.0	-68.68	411.44	6.28	-62.40
O=C(C[N@@H+]1CC2C=CC1C2)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029867183	1	54	0.0	-69.71	401.98	5.94	-63.77
O=C(C[N@H+]1CC2C=CC1C2)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029867183	1	54	0.0	-66.86	404.94	6.04	-60.82
CC(C[NH+](C)C)C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029867215	0	54	0.0	-67.76	399.75	5.27	-62.49
C[N@@H+]1CCCCC1CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029867265	0	58	0.0	-79.14	424.34	6.37	-72.77
C[N@H+]1CCCCC1CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029867265	1	58	0.0	-69.46	417.28	6.31	-63.15
CC(C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300029867275	0	55	0.0	-72.84	412.46	5.60	-67.24
CC1CC[N@@H+]1CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029867277	0	52	0.0	-74.24	396.74	5.35	-68.89
CC1CC[N@H+]1CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029867277	1	52	0.0	-72.96	390.16	5.07	-67.89
C[NH+](C)CC(O)CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029867280	0	55	0.0	-82.97	418.11	3.27	-79.70
CC1C[N@H+](C)CC(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029867300	1	56	0.0	-93.84	410.58	4.77	-89.07
CC1C[N@@H+](C)CC(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029867300	1	56	0.0	-89.20	412.03	4.87	-84.33
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029867347	0	55	0.0	-76.52	414.04	5.98	-70.54
CC(CC[NH+](C)C)C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029867353	0	57	0.0	-79.00	425.25	5.89	-73.11
C[NH+]1CCN(CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029867372	1	57	0.0	-78.48	422.75	3.64	-74.84
NC(=[NH2+])SCC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029867396	0	46	0.0	-67.77	372.01	1.08	-66.69
C[NH+](C)CCC1(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029867425	0	58	0.0	-79.92	435.95	6.52	-73.40
C[N@@H+]1CC=CCC1CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029867426	0	56	0.0	-69.82	411.80	6.18	-63.64
C[N@H+]1CC=CCC1CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029867426	1	56	0.0	-80.09	415.26	6.34	-73.75
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029867439	0	58	0.0	-75.08	434.72	5.72	-69.36
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029867530	0	52	0.0	-67.77	384.39	4.64	-63.13
C[N@H+]1CCC[C@H]1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029867530	1	52	0.0	-67.77	384.39	4.64	-63.13
O=C(CC[N@H+]1CCC(F)C1)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029867536	0	55	0.0	-82.73	420.07	6.08	-76.65
CC1C(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029867555	0	55	0.0	-79.63	404.11	5.66	-73.97
CC1C(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029867555	1	55	0.0	-79.63	404.11	5.66	-73.97
CN1CCOCC1CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029867584	0	56	0.0	-67.60	407.50	3.95	-63.65
C[N@@H+]1CCOCC1CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029867584	1	56	0.0	-84.31	415.86	4.02	-80.29
C[N@H+]1CCOCC1CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029867584	1	56	0.0	-84.31	415.86	4.02	-80.29
C[N@@H+]1CCCC1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029867755	0	52	0.0	-67.31	388.62	5.04	-62.27
C[N@H+]1CCCC1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029867755	1	52	0.0	-67.31	388.62	5.04	-62.27
O=C(CC[NH+]1CCOCC1)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029867933	1	56	0.0	-74.13	419.05	4.13	-70.00
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300029867946	1	50	0.0	-75.76	398.52	7.54	-68.22
C[N@@H+]1CCC(CC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029867974	0	55	0.0	-72.64	411.63	5.82	-66.82
C[N@H+]1CCC(CC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029867974	1	55	0.0	-71.11	410.82	5.77	-65.34
CCC(C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029867981	0	54	0.0	-67.69	392.45	5.08	-62.61
C[NH+](C)CCCCC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029868016	0	57	0.0	-74.12	429.14	6.25	-67.87
CCC[N@H+](C)CCC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029868031	0	57	0.0	-75.92	426.87	6.14	-69.78
CCC[N@@H+](C)CCC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029868031	1	57	0.0	-75.88	426.83	6.14	-69.74
CCC[N@H+](C)CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029868034	0	54	0.0	-69.72	403.02	5.49	-64.23
CCC[N@@H+](C)CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029868034	1	54	0.0	-68.70	404.12	5.61	-63.09
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300029868046	0	56	0.0	-72.63	397.66	5.05	-67.58
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300029868046	1	56	0.0	-84.28	394.94	4.88	-79.40
CC1CC[NH+](CC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029868076	0	58	0.0	-69.01	427.46	6.70	-62.31
C[NH+](C)CC1(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029868107	0	55	0.0	-72.07	414.36	5.89	-66.18
CC[N@H+](C)CCC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029868123	0	54	0.0	-71.57	403.27	5.27	-66.30
CC[N@@H+](C)CCC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029868123	1	54	0.0	-75.11	405.34	5.39	-69.72
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2C[NH+]3CCC2CC3)C1	REAL300029868140	0	56	0.0	-77.47	401.48	5.60	-71.87
C[NH+]1CCC(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029868180	0	55	0.0	-75.94	403.38	5.44	-70.50
CC[NH+](CC)CC(F)C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029868242	0	57	0.0	-73.11	421.01	5.77	-67.34
CCC(C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029868275	0	60	0.0	-63.83	422.87	5.93	-57.90
CC1CCC[N@@H+]1CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029868285	0	55	0.0	-66.88	409.76	5.76	-61.12
CC1CCC[N@H+]1CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029868285	1	55	0.0	-66.63	410.25	5.93	-60.70
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029868327	0	58	0.0	-68.68	415.20	6.48	-62.20
CC(C)[N@H+]1CCCC1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029868327	1	58	0.0	-69.05	419.84	6.12	-62.93
CC1CC[N@H+](CC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029868347	0	55	0.0	-68.95	409.00	5.80	-63.15
CC1CC[N@@H+](CC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029868347	1	55	0.0	-68.16	410.55	5.89	-62.27
CC1(C)CC[N@H+](CC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029868350	0	58	0.0	-68.98	428.75	6.35	-62.63
CC1(C)CC[N@@H+](CC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029868350	1	58	0.0	-67.93	430.45	6.48	-61.45
C[N@H+](CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029868351	0	60	0.0	-68.75	432.80	6.67	-62.08
C[N@@H+](CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029868351	1	60	0.0	-69.46	433.63	6.64	-62.82
CC[C@@H](C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029868358	0	54	0.0	-66.63	390.16	5.00	-61.63
CC1=[NH+]C=CN1CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029868469	1	50	0.0	-66.03	392.10	5.66	-60.37
CC[N@@H+]1CCOC(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029868525	1	56	0.0	-80.93	415.92	5.15	-75.78
CC[N@H+]1CCOC(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029868525	1	56	0.0	-82.96	414.36	4.80	-78.16
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300029868549	0	50	0.0	-73.96	398.37	7.53	-66.43
CC1=C[NH+]=CN1CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029868552	1	50	0.0	-66.61	393.55	6.41	-60.20
C[C@@H]1[C@H](C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029868558	0	55	0.0	-73.44	401.88	5.46	-67.98
C[C@@H]1[C@H](C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029868558	1	55	0.0	-76.98	406.44	5.34	-71.64
CC[C@@H]1[C@@H](C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029868560	0	58	0.0	-71.63	417.08	5.60	-66.03
CC[C@@H]1[C@@H](C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029868560	1	58	0.0	-66.35	422.31	6.25	-60.10
CC1CCC(C)[NH+]1CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029868566	0	58	0.0	-66.26	420.49	5.96	-60.30
O=C(CCC[NH+]1CCCC1)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029868569	0	58	0.0	-70.48	434.74	6.70	-63.78
O=C(CC[NH+]1CCCCC1)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029868572	0	58	0.0	-70.41	428.95	6.59	-63.82
C[N@H+](CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029868654	0	55	0.0	-66.67	408.73	6.00	-60.67
C[N@@H+](CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029868654	1	55	0.0	-67.54	409.64	6.05	-61.49
C[NH+]1CCC(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029868683	0	55	0.0	-75.94	403.38	5.44	-70.50
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029868707	0	52	0.0	-71.50	381.76	4.52	-66.98
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029868707	1	52	0.0	-70.11	386.96	5.00	-65.11
C[N@@H+]1CCCC1CCC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029868726	0	58	0.0	-74.42	430.92	6.59	-67.83
C[N@H+]1CCCC1CCC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029868726	1	58	0.0	-69.74	425.32	6.13	-63.61
CC1C(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029868834	0	55	0.0	-71.84	396.99	5.32	-66.52
CC1C(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029868834	1	55	0.0	-73.27	406.50	5.47	-67.80
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029868878	0	58	0.0	-67.01	425.51	5.87	-61.14
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029868878	1	58	0.0	-66.91	425.14	5.80	-61.11
C[C@@H](C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029868892	0	51	0.0	-69.09	380.12	4.43	-64.66
C=CCC(C)(C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029868906	0	58	0.0	-72.97	407.99	5.56	-67.41
O=C(CC[NH+]1CCCC1)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029868923	0	55	0.0	-70.82	411.66	5.78	-65.04
C[N@H+](CCO)CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029868932	1	52	0.0	-68.66	392.92	1.66	-67.00
C[N@@H+](CCO)CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029868932	1	52	0.0	-71.13	391.66	1.51	-69.62
C[N@H+]1CC=C(CC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029868983	0	56	0.0	-66.84	422.45	6.40	-60.44
C[N@@H+]1CC=C(CC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029868983	1	56	0.0	-64.37	422.82	6.45	-57.92
C[S+](C)CCC(O)C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029868991	0	54	0.0	-80.85	425.00	3.40	-77.45
CC1C[NH+](CC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029869031	1	52	0.0	-69.60	394.73	5.16	-64.44
CC[N@@H+]1CCCC(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029869035	0	58	0.0	-68.54	425.76	6.17	-62.37
CC[N@H+]1CCCC(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029869035	1	58	0.0	-61.74	415.19	6.26	-55.48
NC1=[NH+]C=CC=C1CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869039	0	51	0.0	-65.24	397.95	3.92	-61.32
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300029869045	0	56	0.0	-70.04	416.14	6.16	-63.88
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300029869045	1	56	0.0	-65.65	413.10	6.27	-59.38
O=C(C=CC[NH+]1CCCC1)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869071	0	56	0.0	-76.24	426.83	6.66	-69.58
CC[N@H+](C)CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869106	0	51	0.0	-68.39	382.62	4.87	-63.52
O=C(CN1CC2C=CC1C2)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869136	0	54	0.0	-67.24	404.39	6.12	-61.12
O=C(C[N@@H+]1CC2C=CC1C2)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869136	1	54	0.0	-67.04	404.25	6.20	-60.84
O=C(C[N@H+]1CC2C=CC1C2)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869136	1	54	0.0	-67.04	404.25	6.20	-60.84
CC(OCC[NH+](C)C)C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869213	0	58	0.0	-69.70	434.92	5.44	-64.26
C[NH+](C)CCOCCC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869220	0	58	0.0	-71.97	440.60	4.91	-67.06
COCCN(C)CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869222	0	55	0.0	-71.13	413.91	3.91	-67.22
COCC[N@H+](C)CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869222	1	55	0.0	-68.82	415.17	4.06	-64.76
COCC[N@@H+](C)CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869222	1	55	0.0	-68.82	415.17	4.06	-64.76
CC(CCC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029869225	0	57	0.0	-70.53	421.14	5.87	-64.66
CC[N@H+](CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029869240	0	55	0.0	-65.78	411.25	6.24	-59.54
O=C(C[N@@H+]1CC2CCC1C2)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869270	0	56	0.0	-71.82	411.68	6.23	-65.59
O=C(C[N@H+]1CC2CCC1C2)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869270	1	56	0.0	-71.82	411.68	6.23	-65.59
CC(C[NH+](C)C)C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869284	0	54	0.0	-72.38	402.32	5.25	-67.13
CCN1CCC1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869314	0	52	0.0	-68.79	396.15	5.14	-63.65
CC[N@@H+]1CCC1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869314	1	52	0.0	-69.80	395.16	5.08	-64.72
CC[N@H+]1CCC1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869314	1	52	0.0	-69.80	395.16	5.08	-64.72
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869323	0	60	0.0	-68.65	427.76	4.69	-63.96
CNC1=NC(C)=CC=C1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869348	0	54	0.0	-66.30	413.14	4.68	-61.62
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869348	1	54	0.0	-66.30	413.14	4.68	-61.62
CCCC(C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029869357	0	57	0.0	-67.96	413.94	5.84	-62.12
CC(CC[NH+](C)C)C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869374	0	57	0.0	-71.98	420.66	5.74	-66.24
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869430	0	58	0.0	-64.05	421.15	5.70	-58.35
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869430	1	58	0.0	-64.05	421.15	5.70	-58.35
C[NH+](C)CCCCCC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869432	0	60	0.0	-73.66	450.64	7.04	-66.62
CN1CCN(CC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029869439	0	57	0.0	-67.64	422.09	3.55	-64.09
C[NH+]1CCN(CC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029869439	1	57	0.0	-67.64	422.09	3.55	-64.09
CC1CN(C)CC(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029869487	0	56	0.0	-87.71	417.78	4.92	-82.79
CC1C[N@H+](C)CC(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029869487	1	56	0.0	-78.91	411.59	4.96	-73.95
CC1C[N@@H+](C)CC(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029869487	1	56	0.0	-78.91	411.59	4.96	-73.95
C[N@@H+]1CCCCC1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869538	0	55	0.0	-65.22	394.26	5.34	-59.88
C[N@@H+]1CCC(=CC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029869598	0	53	0.0	-76.25	401.45	5.80	-70.45
C[N@H+]1CCC(=CC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029869598	1	53	0.0	-76.25	401.45	5.80	-70.45
O=C(CNC1=CC=[NH+]C=C1)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869601	0	51	0.0	-72.28	399.49	3.37	-68.91
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869667	0	52	0.0	-65.25	380.69	4.64	-60.61
C[N@H+]1CCC[C@H]1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869667	1	52	0.0	-65.25	380.69	4.64	-60.61
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029869749	0	55	0.0	-67.76	414.04	5.86	-61.90
C[N@@H+]1CC=CCC1CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869757	0	56	0.0	-75.04	414.73	6.14	-68.90
C[N@H+]1CC=CCC1CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869757	1	56	0.0	-75.04	414.73	6.14	-68.90
C[NH+](C)CCOCC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869792	0	55	0.0	-73.13	421.00	5.35	-67.78
[NH2+]=C1SC=CN1CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869813	0	48	0.0	-66.14	390.86	4.26	-61.88
C[C@@H](OCC[NH+](C)C)C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869847	0	58	0.0	-63.51	436.00	5.46	-58.05
O=C(C[NH+]1CCCCC1)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869869	0	55	0.0	-68.51	407.44	6.03	-62.48
C[N@@H+]1CCCC(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029869870	0	55	0.0	-71.94	403.91	5.43	-66.51
C[N@H+]1CCCC(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029869870	1	55	0.0	-71.79	403.65	5.43	-66.36
O=C(C[NH+]1CCCCCC1)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869871	0	58	0.0	-68.96	417.89	6.53	-62.43
CN1C=C[N+](CC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029869875	0	50	0.0	-67.38	394.97	7.61	-59.77
O=C(C[NH+]1CCC(O)CC1)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869894	1	56	0.0	-73.27	417.70	2.75	-70.52
C[N@H+](CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029869896	0	52	0.0	-70.23	394.50	5.55	-64.68
C[N@@H+](CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029869896	1	52	0.0	-66.96	394.32	5.56	-61.40
O=C(CC[N@H+]1CCC(F)C1)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869899	0	55	0.0	-79.49	419.29	5.91	-73.58
O=C(CC[N@@H+]1CCC(F)C1)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869899	1	55	0.0	-77.07	418.33	5.94	-71.13
CC(CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029869918	0	57	0.0	-71.65	420.96	6.12	-65.53
C[N@@H+]1CCOCC1CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869937	1	56	0.0	-78.25	413.99	3.95	-74.30
C[N@H+]1CCOCC1CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869937	1	56	0.0	-67.74	406.84	3.78	-63.96
CC1=CC(N)=[NH+]C=C1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869966	1	51	0.0	-74.41	391.52	3.30	-71.11
NC1=CC=C(CCC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300029869967	0	54	0.0	-71.86	422.18	4.56	-67.30
CC1(O)CC[N@H+](CC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029869992	0	56	0.0	-67.39	420.99	2.57	-64.82
CC1(O)CC[N@@H+](CC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029869992	1	56	0.0	-68.64	419.71	2.49	-66.15
C[NH+]1CC(CC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029870018	0	52	0.0	-69.71	395.22	4.94	-64.77
C[NH+](C)CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029870029	0	48	0.0	-70.00	363.38	4.06	-65.94
C[N@H+](CCO)CCC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029870047	0	55	0.0	-74.48	415.72	2.18	-72.30
C[N@@H+](CCO)CCC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029870047	1	55	0.0	-74.49	415.66	2.16	-72.33
C[C@@H](C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029870048	0	51	0.0	-69.09	380.12	4.43	-64.66
C[N@@H+]1CCCCC1CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029870061	0	58	0.0	-59.58	415.46	6.16	-53.42
C[N@H+]1CCCCC1CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029870061	1	58	0.0	-65.64	416.50	6.25	-59.39
CC(C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300029870073	0	55	0.0	-65.74	407.08	5.42	-60.32
CC1CC[N@@H+]1CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029870075	1	52	0.0	-67.70	389.62	4.90	-62.80
CC1CC[N@H+]1CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029870075	1	52	0.0	-67.15	396.22	5.23	-61.92
C[NH+](C)CC=CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029870080	0	52	0.0	-77.00	400.48	5.45	-71.55
CC1(C)C[NH+](CC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029870085	1	55	0.0	-70.16	413.84	5.64	-64.52
C[NH+](C)CCSCC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029870105	0	55	0.0	-79.06	432.09	6.23	-72.83
O=C(C[N@H+]1CCCC1CO)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029870122	0	56	0.0	-67.20	410.81	2.67	-64.53
O=C(C[N@@H+]1CCCC1CO)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029870122	1	56	0.0	-67.85	419.86	2.70	-65.15
CC[NH+](CC)CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029870126	0	54	0.0	-67.87	395.37	5.15	-62.72
O=C(C[NH+]1CCC1)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029870135	1	49	0.0	-69.76	373.75	4.54	-65.22
CC[NH+](CC)CCC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029870160	0	57	0.0	-72.08	417.38	5.76	-66.32
CC(C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029870204	1	52	0.0	-69.03	383.24	4.72	-64.31
CCC(CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029870209	0	60	0.0	-71.53	436.60	6.93	-64.60
NC1=CC=C(C=CC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300029870213	0	52	0.0	-74.89	410.22	4.34	-70.55
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029870241	0	55	0.0	-68.77	391.93	5.15	-63.62
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029870241	1	55	0.0	-68.07	404.25	5.64	-62.43
C[NH+](C)CC(O)CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029870262	0	55	0.0	-76.07	416.37	3.01	-73.06
C=CCC(C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029870284	0	55	0.0	-64.95	402.35	5.33	-59.62
C[NH+](C)CCSCC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029870354	0	55	0.0	-72.78	430.38	6.14	-66.64
CC(NC(=O)C1CCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029870517	0	49	0.0	-66.64	370.92	1.05	-65.59
CC(NC(=O)C1CCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029870517	1	49	0.0	-64.54	378.20	1.82	-62.72
CC(NC(=O)C1C[N@H+](C)CCO1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029870541	1	50	0.0	-68.00	382.17	1.15	-66.85
CC(NC(=O)C1C[N@@H+](C)CCO1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029870541	1	50	0.0	-78.02	389.89	1.32	-76.70
CC(NC(=O)C(C)[NH+]1CCCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029870699	0	58	0.0	-62.73	419.69	2.85	-59.88
CC(C)[N@@H+]1CCCCC1C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029870701	0	58	0.0	-62.86	417.65	2.96	-59.90
CC(C)[N@H+]1CCCCC1C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029870701	1	58	0.0	-62.88	424.35	3.00	-59.88
CC(C)[N@@H+]1CCCC1C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029870721	0	55	0.0	-63.74	409.82	2.66	-61.08
CC(C)[N@H+]1CCCC1C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029870721	1	55	0.0	-65.43	400.29	2.90	-62.53
CC(NC(=O)C1CC2CCCC[N@@H+]2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029870737	0	56	0.0	-66.96	418.39	3.06	-63.90
CC(NC(=O)C1CC2CCCC[N@H+]2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029870737	1	56	0.0	-65.73	417.95	3.12	-62.61
CC(C)C1=[NH+]C=CN1CC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029870755	1	53	0.0	-61.46	418.09	3.60	-57.86
CC1=[NH+]C=CN1CC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029870782	1	47	0.0	-61.89	381.87	2.47	-59.42
CC(C[NH+]1CCOCC1)C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029870783	0	56	0.0	-70.64	422.00	1.13	-69.51
CC(NC(=O)CCC[NH+]1CCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029870798	0	58	0.0	-69.85	436.02	3.70	-66.15
CC(NC(=O)C(C)(C)[NH+]1CCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029870815	0	58	0.0	-65.10	419.63	3.76	-61.34
CC(NC(=O)C1C[NH+]2CCC1CC2)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029870823	0	53	0.0	-70.50	393.14	2.66	-67.84
CC(NC(=O)C1CCCC2CCC[N@@H+]21)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029870862	0	56	0.0	-64.44	407.30	2.97	-61.47
CC(NC(=O)C1CCCC2CCC[N@H+]21)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029870862	1	56	0.0	-63.04	408.99	3.53	-59.51
CC(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029870875	0	52	0.0	-71.86	388.77	1.85	-70.01
CC(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029870875	1	52	0.0	-67.45	392.63	2.29	-65.16
CC[C@@H]1[C@@H](C(=O)NC(C)C2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)CC[N@@H+]1C	REAL300029870879	0	55	0.0	-69.74	409.25	2.48	-67.26
CC[C@@H]1[C@@H](C(=O)NC(C)C2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)CC[N@H+]1C	REAL300029870879	1	55	0.0	-69.60	412.91	2.37	-67.23
CC[N@@H+]1CCOC(C(=O)NC(C)C2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300029870888	1	53	0.0	-75.59	406.18	1.60	-73.99
CC[N@H+]1CCOC(C(=O)NC(C)C2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300029870888	1	53	0.0	-75.10	405.84	1.50	-73.60
CC[NH+](CC)CC(F)C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029870929	0	54	0.0	-67.73	409.63	2.11	-65.62
CC(NC(=O)C[NH+]1C(C)CCC1C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029870989	0	55	0.0	-64.41	407.79	2.40	-62.01
CC(NC(=O)CCC[NH+]1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029870995	0	55	0.0	-69.41	420.50	2.92	-66.49
C#CC[NH+]1CCC(C(=O)NC(C)C2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)CC1	REAL300029871000	0	54	0.0	-73.04	419.90	3.20	-69.84
CC(NC(=O)CC[NH+]1CCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871001	0	55	0.0	-69.15	414.67	2.82	-66.33
CC[N@@H+]1CCCCC1C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871006	0	55	0.0	-63.65	402.99	3.06	-60.59
CC[N@H+]1CCCCC1C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871006	1	55	0.0	-63.87	411.50	3.09	-60.78
CC(C)C[N@@H+]1CCC(C(=O)NC(C)C2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300029871020	0	58	0.0	-66.84	437.29	3.99	-62.85
CC(C)C[N@H+]1CCC(C(=O)NC(C)C2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300029871020	1	58	0.0	-67.94	436.71	3.85	-64.09
CC(NC(=O)C1([NH+](C)C)CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871023	0	52	0.0	-70.12	385.64	1.97	-68.15
CC(C)[N@@H+]1CCCC1CC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871025	0	58	0.0	-60.80	420.47	2.93	-57.87
CC(C)[N@H+]1CCCC1CC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871025	1	58	0.0	-66.19	430.78	3.47	-62.72
CC(C)[C@@H](C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)[NH+](C)C	REAL300029871037	0	54	0.0	-62.72	395.18	2.39	-60.33
CC(NC(=O)C[N@H+](C)C1CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871078	0	52	0.0	-65.66	398.49	2.98	-62.68
CC(NC(=O)C[N@@H+](C)C1CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871078	1	52	0.0	-63.26	398.54	2.84	-60.42
CC(NC(=O)C(C)[NH+]1C(C)CCC1C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871131	0	58	0.0	-61.93	420.91	2.81	-59.12
C#CC[N@H+]1CCC[C@H]1C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871185	1	51	0.0	-65.46	397.74	2.27	-63.19
C#CC[N@@H+]1CCC[C@H]1C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871185	1	51	0.0	-65.70	403.24	2.81	-62.89
CC(NC(=O)CCC1CCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871190	0	55	0.0	-67.23	414.80	3.00	-64.23
CC(NC(=O)CCC1CCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871190	1	55	0.0	-69.30	419.64	3.47	-65.83
CC(NC(=O)C12CCC[NH+](CCC1)C2)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871199	0	56	0.0	-68.57	409.64	3.18	-65.39
CC(NC(=O)C1CCC2CCCC[N@@H+]21)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871202	0	56	0.0	-64.35	414.49	3.46	-60.89
CC(NC(=O)C1CCC2CCCC[N@H+]21)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871202	1	56	0.0	-62.58	420.61	3.92	-58.66
CC(NC(=O)CCCC[NH+]1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871218	0	58	0.0	-70.02	441.99	3.71	-66.31
CC(NC(=O)C1CC[NH+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871229	0	52	0.0	-72.01	395.23	2.05	-69.96
CC(NC(=O)C1=NOC(C[NH+](C)C)=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871261	1	51	0.0	-74.18	410.91	1.96	-72.22
CC1=C(C(=O)NC(C)C2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C=CC2=C[NH+]=CN21	REAL300029871262	0	50	0.0	-69.26	394.70	4.27	-64.99
CC(NC(=O)C1CCCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871289	0	52	0.0	-66.70	384.41	1.85	-64.85
CC(NC(=O)C1CCCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871289	1	52	0.0	-62.95	385.19	2.31	-60.64
CC(C)C[N@@H+]1CCCC1C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871309	0	58	0.0	-64.20	436.72	4.04	-60.16
CC(C)C[N@H+]1CCCC1C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871309	1	58	0.0	-64.52	431.11	3.63	-60.89
CC(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871403	0	47	0.0	-70.31	381.16	4.03	-66.28
CC1=[NH+]C=CN1CCCC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871411	1	53	0.0	-66.30	422.89	3.77	-62.53
CC(NC(=O)CC[NH+]1CCOCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871415	1	53	0.0	-72.56	405.93	0.39	-72.17
CC1=C[NH+]=CN1CC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871442	1	47	0.0	-67.89	380.43	2.74	-65.15
CC(NC(=O)C12CCC[NH+]1CCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871478	0	53	0.0	-69.91	395.19	2.38	-67.53
CC(NC(=O)C1CCCC([NH+](C)C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871500	0	58	0.0	-64.30	422.96	3.07	-61.23
CC(NC(=O)CC1CC[N@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871503	0	52	0.0	-70.82	398.58	2.58	-68.24
CC(NC(=O)CC1CC[N@@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871503	1	52	0.0	-70.16	399.04	2.53	-67.63
CC(NC(=O)C1=C[NH+]=CC=C1N(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871514	0	51	0.0	-76.29	401.73	1.31	-74.98
CCC(C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)[NH+](C)C	REAL300029871519	0	51	0.0	-64.78	379.82	1.47	-63.31
CC(NC(=O)CC1([NH+](C)C)CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871530	0	58	0.0	-70.19	416.28	3.28	-66.91
CC(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871566	1	47	0.0	-73.92	382.89	4.38	-69.54
CC(NC(=O)CCCC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871612	0	54	0.0	-70.61	417.28	2.99	-67.62
CC(C)C(C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)[NH+](C)C	REAL300029871631	0	54	0.0	-65.10	397.13	1.93	-63.17
CCC[N@H+](C)CCC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871633	0	54	0.0	-69.05	414.04	2.81	-66.24
CCC[N@@H+](C)CCC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871633	1	54	0.0	-70.59	412.58	2.46	-68.13
CCC[N@H+](C)CC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871638	0	51	0.0	-68.08	389.89	1.81	-66.27
CCC[N@@H+](C)CC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871638	1	51	0.0	-65.97	391.67	2.28	-63.69
CC(NC(=O)C12CC[N@H+](C1)CCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871659	0	53	0.0	-74.42	391.79	1.83	-72.59
CC(NC(=O)C12CC[N@@H+](C1)CCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871659	1	53	0.0	-68.53	393.86	2.18	-66.35
CC(NC(=O)[C@H]1CCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871692	0	49	0.0	-65.42	376.79	1.56	-63.86
CC(NC(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871692	1	49	0.0	-65.60	372.48	1.52	-64.08
CCCCCC[N@H+](C)CC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871741	0	60	0.0	-69.28	454.39	4.16	-65.12
CCCCCC[N@@H+](C)CC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871741	1	60	0.0	-67.15	456.17	4.62	-62.53
CC[NH+](CC)C(C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(C)C	REAL300029871745	0	60	0.0	-60.83	428.78	3.19	-57.64
CC[NH+](CC)CC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871753	0	51	0.0	-66.28	387.60	2.21	-64.07
CCC[N@@H+]1CCCC(C(=O)NC(C)C2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300029871784	0	58	0.0	-62.73	428.47	3.74	-58.99
CCC[N@H+]1CCCC(C(=O)NC(C)C2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300029871784	1	58	0.0	-68.05	434.37	3.40	-64.65
CC(C)[N@@H+]1CCOC(C(=O)NC(C)C2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300029871799	1	56	0.0	-65.49	417.07	2.41	-63.08
CC(C)[N@H+]1CCOC(C(=O)NC(C)C2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300029871799	1	56	0.0	-67.15	415.82	1.94	-65.21
CC(NC(=O)C[NH+]1CCC(C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871827	0	55	0.0	-66.12	415.04	3.34	-62.78
CC(NC(=O)COC1CC[NH+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871852	0	56	0.0	-74.41	431.87	2.96	-71.45
CC(NC(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871862	0	52	0.0	-64.79	402.97	2.13	-62.66
CC(C)[NH+]1CCC(C(=O)NC(C)C2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)CC1	REAL300029871930	0	58	0.0	-69.51	429.54	3.24	-66.27
CC(NC(=O)C1CC[NH+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871947	0	52	0.0	-72.01	395.23	2.05	-69.96
CC(C)[C@H](C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)[NH+](C)C	REAL300029871965	0	54	0.0	-66.12	400.02	2.66	-63.46
CCC(C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)[NH+](CC)CC	REAL300029871995	0	57	0.0	-61.77	415.26	2.80	-58.97
CC[N@H+](C)CCC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872049	0	51	0.0	-68.37	392.54	2.06	-66.31
CC[N@@H+](C)CCC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872049	1	51	0.0	-68.30	392.54	2.06	-66.24
CC(NC(=O)C[N@@H+]1CCCC1C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872100	0	52	0.0	-65.56	395.94	2.19	-63.37
CC(NC(=O)C[N@H+]1CCCC1C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872100	1	52	0.0	-62.35	398.10	2.77	-59.58
CC(NC(=O)C[N@@H+]1CCC(C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872102	0	52	0.0	-66.38	396.34	2.20	-64.18
CC(NC(=O)C[N@H+]1CCC(C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872102	1	52	0.0	-66.06	397.24	2.17	-63.89
CC(NC(=O)C[N@@H+]1CCC(C)(C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872106	0	55	0.0	-66.72	417.35	3.22	-63.50
CC(NC(=O)C[N@H+]1CCC(C)(C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872106	1	55	0.0	-66.39	415.87	2.76	-63.63
CC(NC(=O)C[N@H+](C)CC(C)(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872107	0	57	0.0	-65.84	422.50	3.43	-62.41
CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872107	1	57	0.0	-68.02	417.90	2.79	-65.23
CC[C@@H](C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)[NH+](C)C	REAL300029872115	0	51	0.0	-62.80	382.03	1.96	-60.84
CC(NC(=O)CC1(O)CC[NH+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872264	0	56	0.0	-70.75	422.45	1.16	-69.59
CC(NC(=O)C[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872275	0	45	0.0	-68.38	351.92	0.87	-67.51
CC(NC(=O)C[NH+]1CCC(CO)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872279	1	56	0.0	-67.17	425.87	0.03	-67.14
CC(NC(=O)C[NH+]1CCCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872280	0	55	0.0	-67.17	401.74	2.45	-64.72
CC(NC(=O)C[N+]1=CN(C)C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872284	0	47	0.0	-65.80	381.90	3.91	-61.89
CC(NC(=O)C1CCC[N@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872291	0	52	0.0	-63.70	389.30	2.32	-61.38
CC(NC(=O)C1CCC[N@@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872291	1	52	0.0	-63.68	389.28	2.34	-61.34
CC(NC(=O)C1CCC[N@@H+]1C1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872296	0	53	0.0	-64.57	404.49	2.85	-61.72
CC(NC(=O)C1CCC[N@H+]1C1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872296	1	53	0.0	-65.25	401.25	2.29	-62.96
CC(NC(=O)C(C)[NH+]1CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872320	1	49	0.0	-64.91	380.36	2.03	-62.88
CCC(CC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C[NH+](C)C	REAL300029872324	0	57	0.0	-69.97	423.20	3.36	-66.61
CC(NC(=O)C(C)(C)C[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872331	0	54	0.0	-66.15	396.69	2.02	-64.13
CC(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872347	0	54	0.0	-68.11	406.75	3.08	-65.03
CC(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872347	1	54	0.0	-67.21	408.35	3.84	-63.37
CC(NC(=O)C[NH+]1CCC(O)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872355	1	53	0.0	-70.42	405.28	-0.62	-71.04
CC(NC(=O)C[N@H+](C)C1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872356	0	49	0.0	-63.76	381.84	2.27	-61.49
CC(NC(=O)C[N@@H+](C)C1CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872356	1	49	0.0	-65.24	381.18	2.27	-62.97
CC(NC(=O)C(C)N1CC[NH+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872357	1	57	0.0	-67.21	421.56	0.22	-66.99
CC(NC(=O)CC1C[NH+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872375	0	49	0.0	-68.57	383.36	1.68	-66.89
CC(NC(=O)C1CC[N@@H+]1C1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872379	0	56	0.0	-66.58	416.90	3.01	-63.57
CC(NC(=O)C1CC[N@H+]1C1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872379	1	56	0.0	-66.31	417.18	3.37	-62.94
CC(NC(=O)C1CC[N@@H+]1C(C)(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872387	0	55	0.0	-64.52	400.43	2.33	-62.19
CC(NC(=O)C1CC[N@H+]1C(C)(C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872387	1	55	0.0	-64.78	411.88	2.11	-62.67
CC(NC(=O)[C@H](C)[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872398	0	48	0.0	-64.75	368.76	0.78	-63.97
CCC1CCC[N@H+](CC(=O)NC(C)C2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300029872433	0	58	0.0	-67.41	431.96	3.63	-63.78
CCC1CCC[N@@H+](CC(=O)NC(C)C2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300029872433	1	58	0.0	-67.52	426.17	4.06	-63.46
CC(NC(=O)C1=CC=C(C[NH+](C)C)N1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872440	0	53	0.0	-77.85	417.86	1.68	-76.17
CC(NC(=O)CN1C=CSC1=[NH2+])C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872481	0	45	0.0	-60.65	379.51	1.04	-59.61
CC(NC(=O)CC[N@H+](C)CCO)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872491	0	52	0.0	-70.03	401.44	-1.49	-71.52
CC(NC(=O)CC[N@@H+](C)CCO)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872491	1	52	0.0	-68.05	402.88	-1.18	-69.23
CC(NC(=O)[C@H](C)[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872492	0	48	0.0	-64.75	368.76	0.78	-63.97
CC(NC(=O)[C@H]1CCCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872496	0	52	0.0	-64.30	392.63	2.00	-62.30
CC(NC(=O)[C@H]1CCCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872496	1	52	0.0	-66.47	383.41	1.94	-64.53
CC(NC(=O)C1C[N@@H+]2CCN1CC2C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872504	0	55	0.0	-70.28	403.22	-0.22	-70.50
CC(NC(=O)C1C[N@H+]2CCN1CC2C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872504	1	55	0.0	-71.12	403.51	-0.65	-71.77
CC(NC(=O)CC1=CC2=C[NH+]=CN2C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872545	0	50	0.0	-68.13	406.32	5.04	-63.09
CC(NC(=O)C[N@H+](C)C1CCSC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872567	0	53	0.0	-74.03	410.00	2.62	-71.41
CC(NC(=O)C[N@@H+](C)C1CCSC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872567	1	53	0.0	-70.41	411.79	3.10	-67.31
CC(NC(=O)C=C1CC[N@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872596	0	50	0.0	-70.13	391.69	2.52	-67.61
CC(NC(=O)C=C1CC[N@@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872596	1	50	0.0	-72.49	389.84	2.05	-70.44
CC(NC(=O)COCC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872629	0	52	0.0	-68.84	407.72	1.93	-66.91
CCCCC[N@H+](C)CCC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872634	0	60	0.0	-69.93	457.04	4.37	-65.56
CCCCC[N@@H+](C)CCC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872634	1	60	0.0	-71.50	455.58	4.02	-67.48
CC(NC(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872643	0	56	0.0	-70.35	429.77	2.44	-67.91
C=CCC(C)(C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)[NH+](C)C	REAL300029872650	0	55	0.0	-62.21	404.02	2.39	-59.82
CC(NC(=O)C(O)CC[S+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872654	0	51	0.0	-71.21	415.51	0.06	-71.15
CC(NC(=O)C1(C)CC(O)C[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872679	0	53	0.0	-73.09	395.87	-0.91	-74.00
CC(NC(=O)C1CN(C)CC[N@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872689	0	57	0.0	-66.58	422.07	0.26	-66.32
CC(NC(=O)C1CN(C)CC[N@@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872689	1	57	0.0	-66.58	422.07	0.26	-66.32
CC(NC(=O)C(C)[N@@H+]1CCCC(O)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872690	0	56	0.0	-67.06	422.84	-0.25	-67.31
CC(NC(=O)CN1CCC(CO)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872699	0	56	0.0	-67.17	425.87	0.03	-67.14
CC(NC(=O)C[NH+]1CCC(CO)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872699	1	56	0.0	-67.17	425.87	0.03	-67.14
CC(NC(=O)CC1(O)CCC[N@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872708	0	56	0.0	-59.51	413.67	1.19	-58.32
CC(NC(=O)CC1(O)CCC[N@@H+](C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872708	1	56	0.0	-59.51	413.67	1.19	-58.32
CC(NC(=O)CN1CC(C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872711	0	49	0.0	-67.56	380.70	1.55	-66.01
CC(NC(=O)C[NH+]1CC(C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872711	1	49	0.0	-67.56	380.70	1.55	-66.01
CC(NC(=O)CN(C)CCO)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872737	0	49	0.0	-67.35	380.52	-1.71	-69.06
CC(NC(=O)C[N@H+](C)CCO)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872737	1	49	0.0	-68.19	378.75	-2.15	-70.34
CC(NC(=O)C[N@@H+](C)CCO)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872737	1	49	0.0	-68.19	378.75	-2.15	-70.34
CC(NC(=O)C1C[N@@H+]2CCN1CCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872759	0	55	0.0	-74.19	400.60	0.18	-74.01
CC(NC(=O)C1C[N@H+]2CCN1CCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872759	1	55	0.0	-74.19	400.60	0.18	-74.01
CC[N@@H+]1CCCC(C(=O)NC(C)C2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300029872765	0	55	0.0	-63.16	406.94	2.99	-60.17
CC[N@H+]1CCCC(C(=O)NC(C)C2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300029872765	1	55	0.0	-63.16	406.94	2.99	-60.17
CC(CC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C[NH+](C)C	REAL300029872767	0	54	0.0	-69.72	408.71	2.88	-66.84
CC[N@H+](C)CC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872777	0	48	0.0	-65.63	370.17	1.53	-64.10
CC(NC(=O)C12CCC[N@@H+]1CCCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872798	0	56	0.0	-63.65	405.23	3.07	-60.58
CC(NC(=O)C12CCC[N@H+]1CCCC2)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872798	1	56	0.0	-63.65	405.23	3.07	-60.58
CC(NC(=O)C12CCC[N@@H+]1CC=CC2)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872803	0	54	0.0	-62.62	398.23	2.70	-59.92
CC(NC(=O)C12CCC[N@H+]1CC=CC2)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872803	1	54	0.0	-62.62	398.23	2.70	-59.92
CC[N@H+](CC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C1CC1	REAL300029872823	0	52	0.0	-65.29	396.65	2.35	-62.94
CC[NH+](CC)CCC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872838	0	54	0.0	-68.62	405.19	2.47	-66.15
CC(NC(=O)C=C1CC[NH+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872849	0	53	0.0	-70.70	404.51	2.78	-67.92
CC(NC(=O)C[N@@H+]1CCC(C)(O)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872882	0	53	0.0	-67.55	408.78	-0.60	-68.15
CC(NC(=O)C[N@H+]1CCC(C)(O)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872882	1	53	0.0	-66.00	406.90	-1.07	-67.07
CC(NC(=O)C=CC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872889	0	49	0.0	-73.30	387.89	1.65	-71.65
CC(OCC[NH+](C)C)C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872908	0	55	0.0	-69.51	426.33	2.14	-67.37
CC(NC(=O)CCOCC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872916	0	55	0.0	-67.96	428.74	1.65	-66.31
COCC[N@H+](C)CC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872917	1	52	0.0	-67.94	401.00	0.25	-67.69
COCC[N@@H+](C)CC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872917	1	52	0.0	-67.59	402.77	0.69	-66.90
CC(NC(=O)C1([NH+](C)C)CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872946	0	55	0.0	-62.42	398.87	2.55	-59.87
CC(CCC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)[NH+](C)C	REAL300029872949	0	54	0.0	-68.41	408.61	2.58	-65.83
CC[N@@H+]1CCC1C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872956	1	49	0.0	-67.28	382.32	1.35	-65.93
CC[N@H+]1CCC1C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872956	1	49	0.0	-66.05	375.74	1.24	-64.81
CC(C)[N@@H+]1CCCC(C(=O)NC(C)C2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300029872966	0	58	0.0	-61.73	423.60	3.50	-58.23
CC(C)[N@H+]1CCCC(C(=O)NC(C)C2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300029872966	1	58	0.0	-61.37	423.27	3.38	-57.99
CC(NC(=O)C[N@@H+]1CCCC1CO)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872978	0	53	0.0	-67.06	401.50	-1.08	-68.14
CC(NC(=O)C[N@H+]1CCCC1CO)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872978	1	53	0.0	-64.88	402.11	-1.08	-65.96
CC(NC(=O)C1CC2CCCC[N@@H+]2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873000	0	56	0.0	-66.96	418.39	3.06	-63.90
CC(NC(=O)C1CC2CCCC[N@H+]2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873000	1	56	0.0	-65.73	417.95	3.12	-62.61
CC(NC(=O)C1(C)CC[NH+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873006	0	55	0.0	-69.33	407.85	2.46	-66.87
CC(NC(=O)C1=CC(C[NH+](C)C)=CN1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873012	0	53	0.0	-72.03	418.28	2.19	-69.84
CC(NC(=O)C(C)[NH+]1CCC(O)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873026	1	56	0.0	-66.89	421.61	-0.72	-67.61
C=CCC(C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)[NH+](C)C	REAL300029873033	0	52	0.0	-65.35	393.94	1.92	-63.43
CC(NC(=O)C1CC(C)(C)C[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873043	0	55	0.0	-65.39	417.93	3.18	-62.21
CC(NC(=O)C1CC(C)(C)C[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873043	1	55	0.0	-65.79	410.50	2.11	-63.68
CC(NC(=O)CCCCC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873046	0	57	0.0	-70.19	438.78	3.77	-66.42
CC(NC(=O)C[NH+]1CC2CC2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873054	0	50	0.0	-67.04	385.94	2.27	-64.77
CC(NC(=O)C1C[N@@H+]2CCN1C(C)C2)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873079	0	55	0.0	-72.84	403.94	-0.49	-73.33
CC(NC(=O)C1C[N@H+]2CCN1C(C)C2)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873079	1	55	0.0	-68.36	390.81	0.25	-68.11
CCCC(C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)[NH+](C)C	REAL300029873080	0	54	0.0	-65.71	402.04	2.17	-63.54
CC(NC(=O)C(C)(C)[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873084	0	51	0.0	-69.09	378.13	1.56	-67.53
CC(NC(=O)C1CCCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873122	0	52	0.0	-66.70	384.41	1.85	-64.85
CC(NC(=O)C1CCCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873122	1	52	0.0	-62.95	385.19	2.31	-60.64
CC(NC(=O)CC1=CC[N@H+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873155	0	53	0.0	-68.76	410.15	2.84	-65.92
CC(NC(=O)CC1=CC[N@@H+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873155	1	53	0.0	-66.45	411.39	3.30	-63.15
CC(NC(=O)CC1([NH+]2CCCC2)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873164	0	56	0.0	-65.40	416.06	3.25	-62.15
CC(NC(=O)C1=CC=C(C[NH+](C)C)O1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873206	1	52	0.0	-78.05	415.15	2.21	-75.84
CC(NC(=O)C=CC[NH+]1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873222	0	53	0.0	-71.93	412.97	2.82	-69.11
CC(NC(=O)C1CC[NH+](C2CC2)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873242	0	56	0.0	-71.23	420.02	3.25	-67.98
CC(NC(=O)C1([NH+](C)C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873260	0	49	0.0	-68.46	375.74	1.70	-66.76
CC(NC(=O)CC[NH+]1CCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873262	0	52	0.0	-69.32	399.00	2.12	-67.20
CC(NC(=O)C1C[NH+]2CCN1CC2)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873295	0	52	0.0	-72.62	386.94	-1.12	-73.74
CC(NC(=O)C12CC(C1)C[N@@H+]2C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873304	0	50	0.0	-70.02	379.59	2.04	-67.98
CC(NC(=O)C12CC(C1)C[N@H+]2C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873304	1	50	0.0	-68.78	383.12	1.55	-67.23
CC(NC(=O)C[N@@H+]1CC2CCC1C2)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873316	0	53	0.0	-63.00	399.38	3.08	-59.92
CC(NC(=O)C[N@H+]1CC2CCC1C2)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873316	1	53	0.0	-66.27	397.43	2.61	-63.66
CC(NC(=O)C=C1C[NH+]2CCC1CC2)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873353	0	54	0.0	-65.99	406.80	2.79	-63.20
CC(NC(=O)C[N@@H+]1CC2C=CC1C2)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873363	1	51	0.0	-63.99	389.99	2.39	-61.60
CC(NC(=O)C[N@H+]1CC2C=CC1C2)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873363	1	51	0.0	-65.51	390.12	2.47	-63.04
CC[NH+]1CCN(CC(=O)NC(C)C2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)CC1	REAL300029873392	0	57	0.0	-67.22	428.17	1.01	-66.21
CC(C[NH+](C)C)C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873408	0	51	0.0	-63.58	388.46	1.78	-61.80
CC(NC(=O)CC1CCCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873473	0	55	0.0	-70.29	411.55	3.07	-67.22
CC(NC(=O)CC1CCCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873473	1	55	0.0	-70.06	411.54	3.15	-66.91
CC1=C2C=C(C(=O)NC(C)C3CN(C(=O)C4=CC(=O)[N-]O4)CCO3)C=CN2C=[NH+]1	REAL300029873489	1	50	0.0	-73.48	403.33	4.59	-68.89
CC(NC(=O)C(C)[NH+]1CC(C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873490	1	52	0.0	-65.05	401.11	2.55	-62.50
CC(NC(=O)C[N@@H+]1CCC1C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873493	1	49	0.0	-67.38	382.32	1.58	-65.80
CC(NC(=O)C[N@H+]1CCC1C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873493	1	49	0.0	-65.58	378.04	1.79	-63.79
CC(NC(=O)CC(O)C[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873496	0	52	0.0	-72.82	404.53	-0.11	-72.93
CC(NC(=O)C1C[N@H+](C)CC(C)O1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873522	1	53	0.0	-75.35	404.36	2.03	-73.32
CC(NC(=O)C1C[N@@H+](C)CC(C)O1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873522	1	53	0.0	-78.73	403.56	1.73	-77.00
CC(NC(=O)CC[NH+]1CCC(O)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873531	0	56	0.0	-72.34	426.55	-0.09	-72.43
CCC[N@@H+]1CCCCC1C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873533	0	58	0.0	-63.08	433.21	3.85	-59.23
CCC[N@H+]1CCCCC1C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873533	1	58	0.0	-64.32	423.58	3.69	-60.63
CC(NC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873597	0	52	0.0	-70.95	400.70	2.23	-68.72
CC(CC[NH+](C)C)C(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873605	0	54	0.0	-70.19	410.70	2.29	-67.90
CC(NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873625	0	56	0.0	-66.37	421.56	-0.11	-66.48
CC(NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873625	1	56	0.0	-66.13	421.93	-0.29	-66.42
CC(NC(=O)CN1CC[NH+](C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873634	1	54	0.0	-68.13	410.93	0.37	-67.76
CC[NH+]1CCN(CC(=O)NC(C)C2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)CC1	REAL300029873643	0	57	0.0	-67.22	428.17	1.01	-66.21
CC(NC(=O)CSC(N)=[NH2+])C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873666	0	43	0.0	-69.29	360.78	-2.14	-71.43
CC[N@@H+]1CCOCC1CC(=O)NC(C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873699	0	56	0.0	-71.31	421.24	1.45	-69.86
CC(NC(=O)C1CCC([NH+](C)C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873714	0	58	0.0	-72.60	429.48	3.23	-69.37
CC(NC(=O)C1(CC[NH+](C)C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873715	0	55	0.0	-67.81	425.07	2.96	-64.85
CC(NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873717	0	58	0.0	-61.89	424.53	3.66	-58.23
CC(NC(=O)CC1CC=CC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873718	0	53	0.0	-70.26	402.88	2.92	-67.34
CC(NC(=O)CC1CC=CC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873718	1	53	0.0	-70.26	402.88	2.92	-67.34
CC(NC(=O)[C@@H](C)OCC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873739	0	55	0.0	-67.97	426.28	2.14	-65.83
CC(NC(=O)C1CC2CCC(C1)[NH+]2C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873764	0	56	0.0	-65.73	393.30	2.88	-62.85
CC(NC(=O)C(C)[NH+]1CCSCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873862	1	53	0.0	-68.33	409.45	2.39	-65.94
CCC1C[NH+](CC(=O)NC(C)C2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300029873864	1	52	0.0	-68.12	403.25	2.25	-65.87
CC(NC(=O)C1([NH+]2CCCC2)CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873866	0	56	0.0	-62.93	412.54	3.19	-59.74
CC(NC(=O)[C@@H]1CCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873873	0	49	0.0	-64.83	370.70	0.93	-63.90
CC(NC(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873873	1	49	0.0	-64.16	377.59	1.81	-62.35
CC(NC(=O)CC[N@@H+]1CCC(F)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873880	0	52	0.0	-73.40	406.57	2.62	-70.78
CC(NC(=O)CC[N@H+]1CCC(F)C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873880	1	52	0.0	-74.18	405.03	2.24	-71.94
COC1C[N@H+](C)C(C)(C(=O)NC(C)C2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300029873888	0	56	0.0	-70.99	422.14	1.30	-69.69
COC1C[N@@H+](C)C(C)(C(=O)NC(C)C2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300029873888	1	56	0.0	-68.96	418.06	1.41	-67.55
CC(NC(=O)CC[NH+]1CCCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873896	0	58	0.0	-71.15	424.68	3.01	-68.14
CC(NC(=O)C[NH+]1CCCCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873898	0	52	0.0	-67.50	392.38	2.27	-65.23
CC(NC(=O)C1CC[N@H+](C)C1C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873908	0	52	0.0	-66.84	396.49	1.97	-64.87
CC(NC(=O)C1CC[N@@H+](C)C1C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873908	1	52	0.0	-69.32	390.80	1.51	-67.81
CC(NC(=O)CCC1CCCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873910	0	58	0.0	-67.65	433.32	3.87	-63.78
CC(NC(=O)CCC1CCCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873910	1	58	0.0	-67.43	432.34	3.41	-64.02
CC(NC(=O)C1CC[N@@H+]2CCOCC12)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873932	0	54	0.0	-72.24	409.57	0.66	-71.58
CC(NC(=O)C1CC[N@H+]2CCOCC12)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873932	1	54	0.0	-71.79	409.90	0.80	-70.99
CC1=[NH+]C=C2C=CC(C(=O)NC(C)C3CN(C(=O)C4=CC(=O)[N-]O4)CCO3)=CN21	REAL300029873937	0	50	0.0	-66.72	402.58	3.80	-62.92
CC(NC(=O)CC1COCC[N@@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873950	1	53	0.0	-65.87	393.77	0.06	-65.81
CC(NC(=O)CC1COCC[N@H+]1C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873950	1	53	0.0	-74.28	401.66	0.31	-73.97
CC1=C(C)[NH+]=C(CCC(=O)NC(C)C2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)N1	REAL300029873957	1	53	0.0	-63.88	420.84	1.67	-62.21
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@@H+]2C)CCO1	REAL300029874127	0	49	0.0	-70.25	376.35	1.49	-68.76
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@H+]2C)CCO1	REAL300029874127	1	49	0.0	-70.24	378.54	1.48	-68.76
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@H+](C)CCO2)CCO1	REAL300029874153	1	50	0.0	-80.83	387.59	0.89	-79.94
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@@H+](C)CCO2)CCO1	REAL300029874153	1	50	0.0	-70.77	388.39	1.33	-69.44
CC1=[NH+]C=CN1CCCC(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029874312	1	53	0.0	-71.33	424.81	3.57	-67.76
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[NH+]2CCOCC2)CCO1	REAL300029874316	1	53	0.0	-78.13	409.12	0.68	-77.45
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CCC[NH+]2CCC3)CCO1	REAL300029874339	0	53	0.0	-66.78	393.99	2.42	-64.36
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CCO1	REAL300029874347	1	47	0.0	-77.55	390.37	4.46	-73.09
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC([NH+](C)C)C2)CCO1	REAL300029874397	0	58	0.0	-74.73	434.16	3.83	-70.90
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CC[N@H+](C)C2)CCO1	REAL300029874400	0	52	0.0	-76.36	401.51	2.72	-73.64
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CC[N@@H+](C)C2)CCO1	REAL300029874400	1	52	0.0	-75.43	401.11	2.27	-73.16
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C[NH+]=CC=C2N(C)C)CCO1	REAL300029874411	0	51	0.0	-80.24	406.34	0.36	-79.88
CCC(C(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029874416	0	51	0.0	-71.73	381.71	1.60	-70.13
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCCC[NH+](C)C)CCO1	REAL300029874470	0	54	0.0	-75.92	419.21	2.80	-73.12
CC(C)C(C(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029874491	0	54	0.0	-72.37	391.40	2.13	-70.24
CCC[N@H+](C)CCC(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029874493	0	54	0.0	-76.13	415.44	2.65	-73.48
CCC[N@@H+](C)CCC(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029874493	1	54	0.0	-76.18	415.45	2.63	-73.55
CCC[N@H+](C)CC(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029874498	0	51	0.0	-72.42	394.35	2.49	-69.93
CCC[N@@H+](C)CC(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029874498	1	51	0.0	-72.53	394.35	2.49	-70.04
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CC[N@H+](C2)CCC3)CCO1	REAL300029874519	0	53	0.0	-79.92	387.12	1.85	-78.07
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CC[N@@H+](C2)CCC3)CCO1	REAL300029874519	1	53	0.0	-68.94	389.11	1.94	-67.00
CCCCCC[N@H+](C)CC(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029874544	0	60	0.0	-74.88	457.57	4.36	-70.52
CCCCCC[N@@H+](C)CC(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029874544	1	60	0.0	-74.88	457.57	4.37	-70.51
CC[NH+](CC)C(C(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300029874548	0	60	0.0	-69.67	427.83	3.65	-66.02
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CCC(C)CC2)CCO1	REAL300029874578	0	55	0.0	-73.92	416.42	3.09	-70.83
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)COC2CC[NH+](C)CC2)CCO1	REAL300029874603	0	56	0.0	-79.78	433.79	2.79	-76.99
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC3CCCC[N@@H+]3C2)CCO1	REAL300029874642	0	56	0.0	-72.18	419.41	3.65	-68.53
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC3CCCC[N@H+]3C2)CCO1	REAL300029874642	1	56	0.0	-76.76	417.79	3.15	-73.61
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1	REAL300029874652	0	52	0.0	-77.40	404.13	2.68	-74.72
CC(C)[NH+]1CCC(C(=O)N2CCOC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029874663	0	58	0.0	-76.34	434.01	3.84	-72.50
CC[N@H+](C)CCC(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029874683	0	51	0.0	-75.35	393.94	1.90	-73.45
CC[N@@H+](C)CCC(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029874683	1	51	0.0	-75.41	393.95	1.89	-73.52
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCO1	REAL300029874705	0	58	0.0	-69.47	417.48	2.92	-66.55
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[NH+]3CCC2CC3)CCO1	REAL300029874713	0	53	0.0	-76.58	393.19	2.61	-73.97
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[NH+](C)CC2)CCO1	REAL300029874783	0	52	0.0	-78.87	399.69	2.66	-76.21
CC(C)[C@H](C(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029874801	0	54	0.0	-72.34	394.01	2.18	-70.16
CC[NH+](CC)CC(F)C(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029874885	0	54	0.0	-72.08	416.11	2.60	-69.48
CC(C)C[N@@H+]1CCC(C(=O)N2CCOC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029874914	0	58	0.0	-70.05	437.61	3.57	-66.48
CC(C)C[N@H+]1CCC(C(=O)N2CCOC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029874914	1	58	0.0	-73.56	434.90	3.50	-70.06
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2([NH+](C)C)CCC2)CCO1	REAL300029874917	0	52	0.0	-74.13	381.34	1.27	-72.86
CCC(C(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029874947	0	57	0.0	-66.38	414.15	2.80	-63.58
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+]2CCCC2C)CCO1	REAL300029874966	0	52	0.0	-69.78	400.46	2.88	-66.90
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+]2CCCC2C)CCO1	REAL300029874966	1	52	0.0	-70.25	399.91	2.28	-67.97
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)[NH+]2CCCCCC2)CCO1	REAL300029875016	0	58	0.0	-68.83	418.93	2.98	-65.85
CC(C)[N@@H+]1CCCCC1C(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029875018	0	58	0.0	-66.86	419.33	3.34	-63.52
CC(C)[N@H+]1CCCCC1C(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029875018	1	58	0.0	-66.80	418.70	3.33	-63.47
CC(C)[N@@H+]1CCCC1C(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029875038	0	55	0.0	-67.70	410.90	3.00	-64.70
CC(C)[N@H+]1CCCC1C(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029875038	1	55	0.0	-68.07	412.06	2.56	-65.51
CC(C)[N@@H+]1CCCC1CC(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029875044	0	58	0.0	-66.94	425.35	2.78	-64.16
CC(C)[N@H+]1CCCC1CC(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029875044	1	58	0.0	-67.24	426.02	3.26	-63.98
CC(C)[C@@H](C(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029875056	0	54	0.0	-67.84	396.82	2.51	-65.33
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+]2CCC(C)C2)CCO1	REAL300029875075	0	52	0.0	-72.74	399.85	2.34	-70.40
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+]2CCC(C)C2)CCO1	REAL300029875075	1	52	0.0	-72.48	399.19	2.29	-70.19
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CCO1	REAL300029875079	0	55	0.0	-72.98	419.43	2.87	-70.11
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CCO1	REAL300029875079	1	55	0.0	-72.90	419.36	2.86	-70.04
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCO1	REAL300029875080	0	57	0.0	-73.22	423.63	3.16	-70.06
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CCO1	REAL300029875080	1	57	0.0	-72.27	422.96	3.49	-68.78
CC[C@@H](C(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029875088	0	51	0.0	-69.75	386.07	2.13	-67.62
CC1=[NH+]C=CN1CC(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029875264	1	47	0.0	-69.93	382.24	2.19	-67.74
CC(C[NH+]1CCOCC1)C(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029875265	0	56	0.0	-75.62	424.14	1.59	-74.03
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC[NH+]2CCCCC2)CCO1	REAL300029875280	0	58	0.0	-74.54	439.36	3.89	-70.65
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NOC(C[NH+](C)C)=C2)CCO1	REAL300029875294	1	51	0.0	-74.79	411.93	2.44	-72.35
CC1=C(C(=O)N2CCOC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300029875295	0	50	0.0	-73.88	405.39	4.17	-69.71
CC(C)C1=[NH+]C=CN1CC(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029875326	1	53	0.0	-68.18	419.53	3.36	-64.82
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC3CCC[N@@H+]32)CCO1	REAL300029875357	0	56	0.0	-69.11	407.27	2.72	-66.39
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC3CCC[N@H+]32)CCO1	REAL300029875357	1	56	0.0	-68.83	408.68	3.11	-65.72
CC[N@@H+]1CCOC(C(=O)N2CCOC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029875372	1	53	0.0	-76.73	397.54	1.34	-75.39
CC[N@H+]1CCOC(C(=O)N2CCOC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029875372	1	53	0.0	-76.75	399.56	1.81	-74.94
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CCO1	REAL300029875421	0	47	0.0	-74.26	390.25	4.43	-69.83
CC1=C[NH+]=CN1CC(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029875426	1	47	0.0	-72.07	382.57	2.92	-69.15
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1	REAL300029875439	0	52	0.0	-74.22	391.70	2.32	-71.90
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1	REAL300029875439	1	52	0.0	-77.38	396.12	2.04	-75.34
CC[C@@H]1[C@@H](C(=O)N2CCOC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029875443	0	55	0.0	-75.54	407.14	2.16	-73.38
CC[C@@H]1[C@@H](C(=O)N2CCOC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029875443	1	55	0.0	-74.29	411.98	2.49	-71.80
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2C(C)CCC2C)CCO1	REAL300029875454	0	55	0.0	-69.24	410.84	2.50	-66.74
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC[NH+]2CCCC2)CCO1	REAL300029875460	0	55	0.0	-74.10	422.09	3.08	-71.02
C#CC[NH+]1CCC(C(=O)N2CCOC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029875466	0	54	0.0	-79.32	422.47	3.33	-75.99
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[NH+]2CCCCC2)CCO1	REAL300029875467	0	55	0.0	-74.69	417.85	3.10	-71.59
CC[N@@H+]1CCCCC1C(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029875473	0	55	0.0	-67.75	405.54	2.97	-64.78
CC[N@H+]1CCCCC1C(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029875473	1	55	0.0	-65.54	412.60	3.25	-62.29
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2([NH+](C)C)CCCC2)CCO1	REAL300029875510	0	58	0.0	-76.80	417.73	3.10	-73.70
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+](C)C2CCC2)CCO1	REAL300029875641	0	52	0.0	-70.58	401.24	3.06	-67.52
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1	REAL300029875641	1	52	0.0	-71.64	400.03	2.59	-69.05
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)[NH+]2C(C)CCC2C)CCO1	REAL300029875663	0	58	0.0	-69.67	422.16	3.15	-66.52
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCCC[NH+]2CCCC2)CCO1	REAL300029875675	0	58	0.0	-74.48	445.17	3.98	-70.50
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[NH+](C)CC2)CCO1	REAL300029875686	0	52	0.0	-78.87	399.69	2.66	-76.21
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1	REAL300029875723	0	49	0.0	-68.91	377.59	1.96	-66.95
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1	REAL300029875723	1	49	0.0	-68.48	373.71	1.62	-66.86
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029875745	1	51	0.0	-70.32	398.91	2.39	-67.93
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029875745	1	51	0.0	-70.38	402.60	2.72	-67.66
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC2CCC[N@@H+]2C)CCO1	REAL300029875750	0	55	0.0	-73.05	415.78	2.68	-70.37
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC2CCC[N@H+]2C)CCO1	REAL300029875750	1	55	0.0	-77.52	421.23	3.15	-74.37
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CCC[NH+](CCC2)C3)CCO1	REAL300029875759	0	56	0.0	-70.35	402.15	2.31	-68.04
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC3CCCC[N@@H+]32)CCO1	REAL300029875762	0	56	0.0	-66.74	419.29	3.84	-62.90
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC3CCCC[N@H+]32)CCO1	REAL300029875762	1	56	0.0	-68.02	417.69	3.36	-64.66
CCC[N@@H+]1CCCC(C(=O)N2CCOC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029875826	0	58	0.0	-66.76	427.77	3.64	-63.12
CCC[N@H+]1CCCC(C(=O)N2CCOC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029875826	1	58	0.0	-74.55	437.62	3.98	-70.57
CC(C)[N@@H+]1CCOC(C(=O)N2CCOC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029875841	1	56	0.0	-80.95	421.31	2.02	-78.93
CC(C)[N@H+]1CCOC(C(=O)N2CCOC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029875841	1	56	0.0	-66.29	423.41	2.52	-63.77
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC[N@@H+]2C)CCO1	REAL300029875863	0	52	0.0	-70.60	388.01	2.37	-68.23
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC[N@H+]2C)CCO1	REAL300029875863	1	52	0.0	-73.54	386.47	1.85	-71.69
CC(C)C[N@@H+]1CCCC1C(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029875884	0	58	0.0	-68.69	434.50	3.96	-64.73
CC(C)C[N@H+]1CCCC1C(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029875884	1	58	0.0	-70.90	431.40	3.24	-67.66
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CCC(CO)CC2)CCO1	REAL300029875898	0	56	0.0	-73.84	428.54	0.24	-73.60
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@H+](C)C2C)CCO1	REAL300029875939	0	52	0.0	-73.43	397.24	2.40	-71.03
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@@H+](C)C2C)CCO1	REAL300029875939	1	52	0.0	-73.07	391.61	1.68	-71.39
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC2CCCC[N@@H+]2C)CCO1	REAL300029875941	0	58	0.0	-76.08	429.62	3.86	-72.22
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC2CCCC[N@H+]2C)CCO1	REAL300029875941	1	58	0.0	-78.38	429.65	3.86	-74.52
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@@H+]2C(C)(C)C)CCO1	REAL300029876023	0	55	0.0	-70.51	395.94	1.52	-68.99
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@H+]2C(C)(C)C)CCO1	REAL300029876023	1	55	0.0	-69.15	395.42	2.17	-66.98
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H](C)[NH+](C)C)CCO1	REAL300029876041	0	48	0.0	-70.85	369.94	0.95	-69.90
C=CCC(C)(C(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029876055	0	55	0.0	-65.57	398.03	2.06	-63.51
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[NH+]2CCCC2)CCO1	REAL300029876076	0	52	0.0	-75.46	400.59	2.29	-73.17
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+](C)CCO)CCO1	REAL300029876086	1	49	0.0	-72.79	383.81	-1.49	-74.28
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+](C)CCO)CCO1	REAL300029876086	1	49	0.0	-72.48	383.00	-1.48	-73.96
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@@H+]3CCN2CCC3)CCO1	REAL300029876121	0	55	0.0	-78.40	399.50	-0.17	-78.57
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@H+]3CCN2CCC3)CCO1	REAL300029876121	1	55	0.0	-84.67	398.90	0.47	-84.20
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)[NH+]2CCSCC2)CCO1	REAL300029876141	1	53	0.0	-73.82	410.75	2.53	-71.29
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2=CC[N@H+](C)CC2)CCO1	REAL300029876172	0	53	0.0	-71.73	414.89	3.48	-68.25
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2=CC[N@@H+](C)CC2)CCO1	REAL300029876172	1	53	0.0	-69.85	414.86	3.46	-66.39
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(O)CC[S+](C)C)CCO1	REAL300029876186	0	51	0.0	-76.01	415.74	0.51	-75.50
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C)CC(O)C[N@@H+]2C)CCO1	REAL300029876204	0	53	0.0	-77.52	390.65	-1.20	-78.72
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C)CC(O)C[N@H+]2C)CCO1	REAL300029876204	1	53	0.0	-69.60	395.68	-1.70	-71.30
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CN(C)CC[N@H+](C)C2)CCO1	REAL300029876214	0	57	0.0	-69.80	423.44	0.90	-68.90
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)CCO1	REAL300029876214	1	57	0.0	-70.68	419.88	0.58	-70.10
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)[N@@H+]2CCCC(O)C2)CCO1	REAL300029876215	0	56	0.0	-71.94	424.65	-0.08	-72.02
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)[N@H+]2CCCC(O)C2)CCO1	REAL300029876215	1	56	0.0	-69.82	424.63	-0.08	-69.90
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2(O)CCC[N@H+](C)C2)CCO1	REAL300029876244	0	56	0.0	-72.94	412.84	1.37	-71.57
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2(O)CCC[N@@H+](C)C2)CCO1	REAL300029876244	1	56	0.0	-68.32	414.29	0.80	-67.52
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CC(C)C2)CCO1	REAL300029876248	1	49	0.0	-72.61	387.00	2.18	-70.43
CC[N@@H+]1CCCC(C(=O)N2CCOC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029876254	0	55	0.0	-66.78	406.45	2.86	-63.92
CC[N@H+]1CCCC(C(=O)N2CCOC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029876254	1	55	0.0	-73.35	415.57	2.81	-70.54
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2=CC=C[NH+]=C2N)CCO1	REAL300029876260	0	48	0.0	-69.35	388.10	0.47	-68.88
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@@H+]2C2CC2)CCO1	REAL300029876270	0	53	0.0	-67.30	408.74	3.41	-63.89
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@H+]2C2CC2)CCO1	REAL300029876270	1	53	0.0	-67.55	405.52	2.79	-64.76
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=CC[NH+]2CCCC2)CCO1	REAL300029876306	0	53	0.0	-73.68	413.35	2.91	-70.77
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[NH+](C3CC3)CC2)CCO1	REAL300029876326	0	56	0.0	-73.73	424.02	3.87	-69.86
CC[N@H+](C)CC(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029876367	0	48	0.0	-72.22	372.86	1.74	-70.48
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2CC3C=CC2C3)CCO1	REAL300029876413	0	51	0.0	-69.31	392.92	2.50	-66.81
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+]2CC3C=CC2C3)CCO1	REAL300029876413	1	51	0.0	-68.79	394.48	2.97	-65.82
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+]2CC3C=CC2C3)CCO1	REAL300029876413	1	51	0.0	-68.79	394.48	2.97	-65.82
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CCC[N@@H+]2CCCC3)CCO1	REAL300029876528	0	56	0.0	-67.20	404.13	2.80	-64.40
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CCC[N@H+]2CCCC3)CCO1	REAL300029876528	1	56	0.0	-67.20	404.13	2.80	-64.40
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CCC[N@@H+]2CC=CC3)CCO1	REAL300029876535	0	54	0.0	-65.86	396.70	2.73	-63.13
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CCC[N@H+]2CC=CC3)CCO1	REAL300029876535	1	54	0.0	-65.86	396.70	2.73	-63.13
CC(OCC[NH+](C)C)C(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029876544	0	55	0.0	-68.68	427.45	2.68	-66.00
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCOCC[NH+](C)C)CCO1	REAL300029876553	0	55	0.0	-73.12	430.67	1.46	-71.66
COCCN(C)CC(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029876555	0	52	0.0	-73.83	403.94	0.46	-73.37
COCC[N@H+](C)CC(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029876555	1	52	0.0	-74.01	405.46	0.91	-73.10
COCC[N@@H+](C)CC(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029876555	1	52	0.0	-74.01	405.46	0.91	-73.10
CC(CCC(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029876560	0	54	0.0	-77.76	407.49	2.39	-75.37
CC[N@H+](CC(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029876583	0	52	0.0	-70.61	400.28	2.63	-67.98
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@@H+]3CCN2C(C)C3)CCO1	REAL300029876598	0	55	0.0	-78.03	403.46	-0.71	-78.74
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CC(C2)C[N@@H+]3C)CCO1	REAL300029876620	0	50	0.0	-62.56	382.57	2.13	-60.43
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+]2CC3CCC2C3)CCO1	REAL300029876634	0	53	0.0	-70.23	398.25	2.54	-67.69
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+]2CC3CCC2C3)CCO1	REAL300029876634	1	53	0.0	-70.23	398.25	2.54	-67.69
CC(C[NH+](C)C)C(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029876653	0	51	0.0	-75.67	392.50	1.78	-73.89
CCN1CCC1C(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029876699	0	49	0.0	-72.96	385.05	1.53	-71.43
CC[N@@H+]1CCC1C(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029876699	1	49	0.0	-72.55	384.33	1.57	-70.98
CC[N@H+]1CCC1C(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029876699	1	49	0.0	-72.55	384.33	1.57	-70.98
CC(C)[N@@H+]1CCCC(C(=O)N2CCOC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029876711	0	58	0.0	-72.62	432.75	3.74	-68.88
CC(C)[N@H+]1CCCC(C(=O)N2CCOC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029876711	1	58	0.0	-72.62	432.75	3.74	-68.88
CCC(C)(C)[NH2+]C(C)C(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029876724	0	57	0.0	-71.47	418.32	1.22	-70.25
C#CCN1CCCCC1C(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029876763	0	54	0.0	-67.39	420.76	3.86	-63.53
C#CC[N@H+]1CCCCC1C(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029876763	1	54	0.0	-68.46	413.04	3.53	-64.93
C#CC[N@@H+]1CCCCC1C(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029876763	1	54	0.0	-68.46	413.04	3.53	-64.93
CNC1=NC(C)=CC=C1C(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029876764	0	51	0.0	-66.81	406.90	1.26	-65.55
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029876764	1	51	0.0	-66.81	406.90	1.26	-65.55
CCCC(C(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029876774	0	54	0.0	-71.30	403.85	2.32	-68.98
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)[NH+](C)C)CCO1	REAL300029876781	0	51	0.0	-73.91	375.75	1.49	-72.42
CC(CC[NH+](C)C)C(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029876799	0	54	0.0	-75.62	414.21	2.39	-73.23
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CCO1	REAL300029876860	0	54	0.0	-72.20	410.35	3.44	-68.76
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CCO1	REAL300029876860	1	54	0.0	-69.86	407.84	4.42	-65.44
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC(C)(C)C[N@@H+]2C)CCO1	REAL300029876889	0	55	0.0	-68.73	414.69	2.68	-66.05
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC(C)(C)C[N@H+]2C)CCO1	REAL300029876889	1	55	0.0	-71.91	412.69	2.28	-69.63
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCCCC[NH+](C)C)CCO1	REAL300029876892	0	57	0.0	-74.74	440.71	3.59	-71.15
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[NH+]2CCC(O)CC2)CCO1	REAL300029876896	0	56	0.0	-78.47	428.48	-0.28	-78.75
CCC[N@@H+]1CCCCC1C(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029876900	0	58	0.0	-67.25	435.60	4.05	-63.20
CCC[N@H+]1CCCCC1C(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029876900	1	58	0.0	-66.22	434.08	3.99	-62.23
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2CC[NH+](C)CC2)CCO1	REAL300029876909	1	54	0.0	-72.45	415.03	0.59	-71.86
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@H+](C)CC(C)O2)CCO1	REAL300029876995	1	53	0.0	-71.52	402.34	1.65	-69.87
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@@H+](C)CC(C)O2)CCO1	REAL300029876995	1	53	0.0	-83.14	409.80	2.09	-81.05
CCC1CCC[N@H+](CC(=O)N2CCOC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029877027	0	58	0.0	-73.72	434.86	3.73	-69.99
CCC1CCC[N@@H+](CC(=O)N2CCOC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029877027	1	58	0.0	-73.69	434.84	3.72	-69.97
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(C[NH+](C)C)N2)CCO1	REAL300029877035	0	53	0.0	-80.54	419.20	2.49	-78.05
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CC3CC3C2)CCO1	REAL300029877048	0	50	0.0	-72.50	390.59	2.96	-69.54
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2([NH+]3CCCC3)CC2)CCO1	REAL300029877060	0	56	0.0	-69.97	420.84	3.89	-66.08
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC[N@@H+]2C)CCO1	REAL300029877095	0	52	0.0	-70.60	388.01	2.37	-68.23
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCCC[N@H+]2C)CCO1	REAL300029877095	1	52	0.0	-73.54	386.47	1.85	-71.69
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=C2CC[N@H+](C)C2)CCO1	REAL300029877201	0	50	0.0	-70.68	393.48	2.65	-68.03
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=C2CC[N@@H+](C)C2)CCO1	REAL300029877201	1	50	0.0	-76.66	392.93	2.64	-74.02
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CNC2=CC=[NH+]C=C2)CCO1	REAL300029877206	0	48	0.0	-73.43	389.56	-0.12	-73.55
CC[NH+]1CCN(CC(=O)N2CCOC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029877259	0	57	0.0	-71.33	431.99	1.23	-70.10
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=C2C[NH+]3CCC2CC3)CCO1	REAL300029877262	0	54	0.0	-68.02	409.23	3.03	-64.99
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2([NH+](C)C)CCCC2)CCO1	REAL300029877296	0	55	0.0	-78.25	393.14	2.67	-75.58
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CCO1	REAL300029877307	0	56	0.0	-70.79	426.70	0.32	-70.47
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CCO1	REAL300029877307	1	56	0.0	-69.02	426.14	0.29	-68.73
CCC1C[NH+](CC(=O)N2CCOC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029877311	1	52	0.0	-73.61	408.36	2.93	-70.68
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2([NH+]3CCCC3)CCC2)CCO1	REAL300029877314	0	56	0.0	-72.28	410.50	2.81	-69.47
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCO1	REAL300029877326	0	49	0.0	-70.76	372.20	1.16	-69.60
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCO1	REAL300029877326	1	49	0.0	-66.85	378.89	1.48	-65.37
CC[N@@H+]1CCOCC1CC(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029877352	0	56	0.0	-75.66	417.44	0.98	-74.68
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)CCO1	REAL300029877463	0	52	0.0	-73.53	402.69	2.34	-71.19
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC([NH+](C)C)CC2)CCO1	REAL300029877477	0	58	0.0	-73.90	432.29	3.34	-70.56
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(CC[NH+](C)C)CC2)CCO1	REAL300029877478	0	55	0.0	-78.83	429.12	3.50	-75.33
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)CCO1	REAL300029877480	0	58	0.0	-68.21	422.43	3.09	-65.12
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CC=CC[N@@H+]2C)CCO1	REAL300029877481	0	53	0.0	-67.76	400.11	2.66	-65.10
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CC=CC[N@H+]2C)CCO1	REAL300029877481	1	53	0.0	-67.76	400.11	2.66	-65.10
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)COCC[NH+](C)C)CCO1	REAL300029877535	0	52	0.0	-73.56	409.73	1.73	-71.83
CCCCC[N@H+](C)CCC(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029877540	0	60	0.0	-77.15	458.44	4.21	-72.94
CCCCC[N@@H+](C)CCC(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029877540	1	60	0.0	-77.15	458.44	4.21	-72.94
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)CCO1	REAL300029877551	0	56	0.0	-74.76	428.12	2.73	-72.03
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2C=CSC2=[NH2+])CCO1	REAL300029877574	0	45	0.0	-68.91	382.19	1.26	-67.65
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@@H](C)OCC[NH+](C)C)CCO1	REAL300029877641	0	55	0.0	-72.06	426.93	2.64	-69.42
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[NH+]2CCCCCC2)CCO1	REAL300029877676	0	58	0.0	-75.71	428.31	3.66	-72.05
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CCCCC2)CCO1	REAL300029877679	0	52	0.0	-71.97	396.86	2.94	-69.03
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@H+](C)C2)CCO1	REAL300029877681	0	52	0.0	-76.48	390.57	2.52	-73.96
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CCC[N@@H+](C)C2)CCO1	REAL300029877681	1	52	0.0	-67.18	391.91	2.78	-64.40
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CCC(CO)CC2)CCO1	REAL300029877682	0	56	0.0	-73.84	428.54	0.24	-73.60
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CCCCCC2)CCO1	REAL300029877683	0	55	0.0	-72.59	404.99	2.66	-69.93
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N+]2=CN(C)C=C2)CCO1	REAL300029877688	0	47	0.0	-70.52	385.08	4.13	-66.39
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(C[NH+](C)C)O2)CCO1	REAL300029877703	1	52	0.0	-80.89	414.12	2.29	-78.60
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CCC(O)CC2)CCO1	REAL300029877719	1	53	0.0	-77.26	407.95	-0.41	-77.67
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+](C)C2CC2)CCO1	REAL300029877723	1	49	0.0	-69.00	384.39	2.48	-66.52
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)N2CC[NH+](C)CC2)CCO1	REAL300029877725	1	57	0.0	-70.96	423.28	0.65	-70.31
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[N@H+]2CCC(F)C2)CCO1	REAL300029877727	1	52	0.0	-79.95	408.04	2.48	-77.47
COC1C[N@@H+](C)C(C)(C(=O)N2CCOC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029877736	1	56	0.0	-64.88	416.42	0.39	-64.49
CC(CC(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029877753	0	54	0.0	-75.65	410.86	2.68	-72.97
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@@H+]3CCOCC23)CCO1	REAL300029877765	0	54	0.0	-76.56	411.25	1.26	-75.30
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@H+]3CCOCC23)CCO1	REAL300029877765	1	54	0.0	-70.18	402.89	0.74	-69.44
CC1=[NH+]C=C2C=CC(C(=O)N3CCOC(C(C)NC(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300029877770	0	50	0.0	-69.08	411.92	4.21	-64.87
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2COCCN2C)CCO1	REAL300029877783	0	53	0.0	-70.43	396.98	0.34	-70.09
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2COCC[N@@H+]2C)CCO1	REAL300029877783	1	53	0.0	-80.22	405.69	0.95	-79.27
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2COCC[N@H+]2C)CCO1	REAL300029877783	1	53	0.0	-70.43	396.98	0.34	-70.09
CC[NH+]1CCN(CC(=O)N2CCOC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029877791	0	57	0.0	-71.33	431.99	1.23	-70.10
CC1=CC(N)=[NH+]C=C1C(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029877843	1	48	0.0	-74.46	385.40	-0.15	-74.61
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC2=CC=C(N)[NH+]=C2)CCO1	REAL300029877846	0	51	0.0	-72.73	412.87	1.16	-71.57
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+]2CCC(C)(O)C2)CCO1	REAL300029877883	0	53	0.0	-73.70	410.41	-0.97	-74.67
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+]2CCC(C)(O)C2)CCO1	REAL300029877883	1	53	0.0	-72.32	409.88	-0.98	-73.30
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2C[NH+](C)C2)CCO1	REAL300029877915	0	49	0.0	-74.28	385.14	1.48	-72.80
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@@H+]2C2CCCC2)CCO1	REAL300029877919	0	56	0.0	-72.29	427.44	4.03	-68.26
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC[N@H+]2C2CCCC2)CCO1	REAL300029877919	1	56	0.0	-71.12	419.14	3.50	-67.62
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+](C)C)CCO1	REAL300029877927	0	45	0.0	-74.03	353.86	0.60	-73.43
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[N@H+](C)CCO)CCO1	REAL300029877955	0	52	0.0	-75.23	404.30	-1.33	-76.56
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC[N@@H+](C)CCO)CCO1	REAL300029877955	1	52	0.0	-74.50	404.25	-1.35	-75.85
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H](C)[NH+](C)C)CCO1	REAL300029877956	0	48	0.0	-70.85	369.94	0.95	-69.90
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CCCC[N@@H+]2C)CCO1	REAL300029877974	0	55	0.0	-65.76	405.61	2.72	-63.04
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2CCCC[N@H+]2C)CCO1	REAL300029877974	1	55	0.0	-67.15	405.67	2.74	-64.41
CC1=C2C=C(C(=O)N3CCOC(C(C)NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029877993	1	50	0.0	-70.05	410.43	4.57	-65.48
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)[NH+]2CC(C)C2)CCO1	REAL300029877994	0	52	0.0	-71.04	403.59	2.17	-68.87
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+]2CCC2C)CCO1	REAL300029877998	1	49	0.0	-70.31	380.90	1.89	-68.42
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+]2CCC2C)CCO1	REAL300029877998	1	49	0.0	-71.22	379.57	1.42	-69.80
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=CC[NH+](C)C)CCO1	REAL300029878009	0	49	0.0	-77.50	388.69	1.83	-75.67
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CC(C)(C)C2)CCO1	REAL300029878021	1	52	0.0	-72.99	406.04	2.65	-70.34
CC1=C(C)[NH+]=C(CCC(=O)N2CCOC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029878036	1	53	0.0	-68.77	425.03	2.00	-66.77
CC1=C2C=C(C(=O)N3CCOC(C(C)NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029878047	1	50	0.0	-70.05	410.43	4.57	-65.48
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CSCC[NH+](C)C)CCO1	REAL300029878056	0	52	0.0	-78.95	420.75	2.61	-76.34
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+]2CCCC2CO)CCO1	REAL300029878081	0	53	0.0	-72.35	403.52	-1.30	-73.65
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+]2CCCC2CO)CCO1	REAL300029878081	1	53	0.0	-71.81	409.73	-0.26	-72.07
CC[NH+](CC)CC(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029878085	0	51	0.0	-71.66	385.16	1.69	-69.97
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@H+](C)C2CCSC2)CCO1	REAL300029878095	0	53	0.0	-77.52	414.39	3.33	-74.19
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N@@H+](C)C2CCSC2)CCO1	REAL300029878095	1	53	0.0	-79.25	413.35	2.85	-76.40
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+]2CCC2)CCO1	REAL300029878097	1	46	0.0	-73.73	364.17	1.09	-72.64
CC[NH+](CC)CCC(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029878141	0	54	0.0	-74.35	411.80	2.58	-71.77
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(C[NH+](C)C)=CN2)CCO1	REAL300029878201	0	53	0.0	-77.60	416.99	2.18	-75.42
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)[NH+]2CCC(O)CC2)CCO1	REAL300029878218	0	56	0.0	-73.63	415.97	-0.82	-74.45
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC3COCC[N@@H+]3C2)CCO1	REAL300029878223	0	54	0.0	-75.18	410.89	1.26	-73.92
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC3COCC[N@H+]3C2)CCO1	REAL300029878223	1	54	0.0	-75.18	410.97	1.26	-73.92
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)[NH+]2CCC2)CCO1	REAL300029878235	1	49	0.0	-69.99	376.25	1.66	-68.33
CCC(CC(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029878240	0	57	0.0	-75.49	424.88	3.14	-72.35
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=CC2=CC=C(N)[NH+]=C2)CCO1	REAL300029878247	0	49	0.0	-71.58	400.10	0.87	-70.71
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)C[NH+](C)C)CCO1	REAL300029878248	0	54	0.0	-75.67	394.44	2.33	-73.34
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCO1	REAL300029878304	0	52	0.0	-69.60	394.04	2.20	-67.40
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)[C@H]2CCCC[N@H+]2C)CCO1	REAL300029878304	1	52	0.0	-70.44	383.13	1.67	-68.77
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@@H+]3CCN2CC3C)CCO1	REAL300029878318	0	55	0.0	-79.57	405.25	-0.30	-79.87
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2C[N@H+]3CCN2CC3C)CCO1	REAL300029878318	1	55	0.0	-79.40	403.34	-0.77	-80.17
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC(O)C[NH+](C)C)CCO1	REAL300029878339	0	52	0.0	-78.72	406.47	-0.31	-79.03
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC3CCC(C2)[NH+]3C)CCO1	REAL300029878341	0	56	0.0	-73.85	412.45	2.68	-71.17
C=CCC(C(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029878372	0	52	0.0	-68.49	394.08	1.97	-66.52
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC3CCCC[N@@H+]3C2)CCO1	REAL300029878380	0	56	0.0	-72.18	419.41	3.65	-68.53
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2CC3CCCC[N@H+]3C2)CCO1	REAL300029878380	1	56	0.0	-76.76	417.79	3.15	-73.61
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2(C)CC[NH+](C)CC2)CCO1	REAL300029878391	0	55	0.0	-67.20	401.86	2.13	-65.07
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2(O)CC[NH+](C)CC2)CCO1	REAL300029878393	0	56	0.0	-76.20	426.11	1.44	-74.76
CC1=C2C=C(C(=O)NC(C)C3CN(C(=O)C4=CC(=O)[N-]O4)CCO3)C=CN2C=[NH+]1	REAL300029878465	1	50	0.0	-73.48	403.33	4.59	-68.89
CC(NC(=O)CSCC[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029878474	0	52	0.0	-73.46	418.81	2.80	-70.66
CC(NC(=O)C1CC2COCC[N@@H+]2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029878481	0	54	0.0	-69.95	411.28	1.18	-68.77
CC(NC(=O)C1CC2COCC[N@H+]2C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029878481	1	54	0.0	-69.76	411.28	1.19	-68.57
C[N@@H+]1CCCC1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029878643	0	49	0.0	-66.37	375.13	2.98	-63.39
C[N@H+]1CCCC1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029878643	1	49	0.0	-72.31	374.55	2.90	-69.41
C[N@@H+]1CCOC(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029878667	1	50	0.0	-77.36	384.52	2.57	-74.79
C[N@H+]1CCOC(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029878667	1	50	0.0	-80.42	391.76	2.75	-77.67
CC(C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)[NH+]1CCCCCC1	REAL300029878838	0	58	0.0	-70.52	423.33	4.73	-65.79
CC(C)[N@@H+]1CCCCC1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029878840	0	58	0.0	-68.19	427.40	4.76	-63.43
CC(C)[N@H+]1CCCCC1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029878840	1	58	0.0	-63.73	422.15	4.98	-58.75
CC(C)[N@@H+]1CCCC1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029878861	0	55	0.0	-68.31	412.83	4.51	-63.80
CC(C)[N@H+]1CCCC1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029878861	1	55	0.0	-71.52	406.63	4.51	-67.01
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1CC2CCCC[N@@H+]2C1	REAL300029878878	0	56	0.0	-75.39	421.86	4.97	-70.42
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1CC2CCCC[N@H+]2C1	REAL300029878878	1	56	0.0	-70.53	421.89	5.00	-65.53
CC(C)C1=[NH+]C=CN1CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029878900	1	53	0.0	-64.50	420.91	5.16	-59.34
CC1=[NH+]C=CN1CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029878934	1	47	0.0	-70.05	383.47	3.96	-66.09
CC(C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029878936	0	56	0.0	-74.57	425.97	3.10	-71.47
O=C(CCC[NH+]1CCCCC1)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029878953	0	58	0.0	-72.08	440.13	5.51	-66.57
CC(C)(C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)[NH+]1CCCCC1	REAL300029878972	0	58	0.0	-73.32	423.66	5.23	-68.09
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1C[NH+]2CCC1CC2	REAL300029878982	0	53	0.0	-77.68	395.04	4.19	-73.49
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1CCCC2CCC[N@@H+]21	REAL300029879028	0	56	0.0	-66.47	418.51	5.23	-61.24
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1CCCC2CCC[N@H+]21	REAL300029879028	1	56	0.0	-67.64	418.72	5.11	-62.53
C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)CC[N@@H+]1C	REAL300029879044	0	52	0.0	-75.26	390.32	3.34	-71.92
C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)CC[N@H+]1C	REAL300029879044	1	52	0.0	-72.88	396.01	3.88	-69.00
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)CC[N@@H+]1C	REAL300029879049	0	55	0.0	-72.30	411.66	3.97	-68.33
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)CC[N@H+]1C	REAL300029879049	1	55	0.0	-74.29	416.62	4.31	-69.98
CC[N@@H+]1CCOC(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029879064	1	53	0.0	-74.68	402.36	3.25	-71.43
CC[N@H+]1CCOC(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029879064	1	53	0.0	-75.82	401.88	3.33	-72.49
CC[NH+](CC)CC(F)C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029879110	0	54	0.0	-71.72	411.81	3.92	-67.80
CC1CCC(C)[NH+]1CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029879183	0	55	0.0	-69.80	413.25	4.38	-65.42
O=C(CCC[NH+]1CCCC1)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029879189	0	55	0.0	-71.81	424.36	4.81	-67.00
C[NH+](C)CC1=CC=CC(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)=C1	REAL300029879190	0	55	0.0	-76.02	432.41	5.85	-70.17
C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)CC1	REAL300029879195	0	54	0.0	-75.52	424.25	5.18	-70.34
O=C(CC[NH+]1CCCCC1)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029879196	0	55	0.0	-71.62	418.53	4.70	-66.92
C[NH+](C)CC1=CC=CC=C1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029879199	0	55	0.0	-64.06	425.34	6.02	-58.04
CC[N@@H+]1CCCCC1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029879203	0	55	0.0	-64.62	405.51	4.52	-60.10
CC[N@H+]1CCCCC1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029879203	1	55	0.0	-70.32	404.61	4.35	-65.97
C[NH+](C)C(C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1=CC=CC=C1	REAL300029879206	1	55	0.0	-71.68	428.52	5.88	-65.80
CC(C)C[N@@H+]1CCC(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029879223	0	58	0.0	-73.82	439.11	5.26	-68.56
CC(C)C[N@H+]1CCC(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029879223	1	58	0.0	-72.12	438.53	5.35	-66.77
C[NH+](C)C1(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)CCC1	REAL300029879227	0	52	0.0	-76.01	386.40	3.94	-72.07
CC(C)[N@@H+]1CCCC1CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029879229	0	58	0.0	-63.31	423.54	4.83	-58.48
CC(C)[N@H+]1CCCC1CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029879229	1	58	0.0	-70.67	433.99	5.00	-65.67
CC(C)[C@@H](C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)[NH+](C)C	REAL300029879244	0	54	0.0	-70.32	399.43	3.97	-66.35
C[N@H+](CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1CCC1	REAL300029879293	0	52	0.0	-66.43	401.26	4.41	-62.02
C[N@@H+](CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1CCC1	REAL300029879293	1	52	0.0	-71.29	400.21	4.34	-66.95
CC(C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)[NH+]1C(C)CCC1C	REAL300029879357	0	58	0.0	-66.89	426.71	4.72	-62.17
CN(CCC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1=CC=[NH+]C=C1	REAL300029879413	0	54	0.0	-69.80	429.00	3.93	-65.87
C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029879421	1	51	0.0	-71.78	401.10	4.04	-67.74
C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029879421	1	51	0.0	-70.47	406.59	4.64	-65.83
C[N@@H+]1CCCC1CCC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029879427	0	55	0.0	-73.42	422.05	4.81	-68.61
C[N@H+]1CCCC1CCC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029879427	1	55	0.0	-72.20	415.78	4.41	-67.79
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C12CCC[NH+](CCC1)C2	REAL300029879438	0	56	0.0	-73.25	411.38	4.57	-68.68
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1CCC2CCCC[N@@H+]21	REAL300029879445	0	56	0.0	-69.25	415.34	4.82	-64.43
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1CCC2CCCC[N@H+]21	REAL300029879445	1	56	0.0	-70.43	415.05	4.75	-65.68
O=C(CCCC[NH+]1CCCC1)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029879465	0	58	0.0	-72.42	444.83	5.53	-66.89
C[N@H+](CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)CC1=CC=CC=C1	REAL300029879467	1	55	0.0	-72.10	431.82	6.02	-66.08
C[N@@H+](CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)CC1=CC=CC=C1	REAL300029879467	1	55	0.0	-72.33	431.88	6.02	-66.31
C[NH+]1CCC(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)CC1	REAL300029879478	0	52	0.0	-77.74	398.83	3.94	-73.80
C[NH+](C)CC1=CC(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)=NO1	REAL300029879519	1	51	0.0	-79.62	413.66	3.30	-76.32
CC1=C(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C=CC2=C[NH+]=CN21	REAL300029879520	0	50	0.0	-74.00	407.00	6.06	-67.94
C[N@@H+]1CCCCC1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029879552	0	52	0.0	-66.03	387.83	3.85	-62.18
C[N@H+]1CCCCC1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029879552	1	52	0.0	-70.60	386.61	3.82	-66.78
CC(C)C[N@@H+]1CCCC1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029879575	0	58	0.0	-69.47	438.89	5.57	-63.90
CC(C)C[N@H+]1CCCC1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029879575	1	58	0.0	-66.78	429.13	5.69	-61.09
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1=CN2C=[NH+]C=C2C=C1	REAL300029879680	0	47	0.0	-72.04	384.51	5.79	-66.25
CC1=[NH+]C=CN1CCCC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029879689	1	53	0.0	-69.05	425.55	5.17	-63.88
C[NH+](C)CC1=CC=C(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C=C1	REAL300029879694	0	55	0.0	-80.23	432.21	5.84	-74.39
O=C(CC[NH+]1CCOCC1)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029879695	1	53	0.0	-74.87	409.80	2.28	-72.59
CC1=C[NH+]=CN1CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029879726	1	47	0.0	-72.19	383.81	4.70	-67.49
O=C(CN1C=[NH+]C2=C1CCCC2)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029879732	1	54	0.0	-72.42	425.87	6.34	-66.08
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C12CCC[NH+]1CCC2	REAL300029879768	0	53	0.0	-69.09	399.29	4.31	-64.78
C[NH+](C)C1CCCC(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029879797	0	58	0.0	-68.40	426.87	5.02	-63.38
C[N@@H+]1CCC(CC(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029879800	0	52	0.0	-75.03	400.58	3.94	-71.09
C[N@H+]1CCC(CC(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029879800	1	52	0.0	-75.35	401.12	3.88	-71.47
CN(C)C1=CC=[NH+]C=C1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029879812	0	51	0.0	-75.82	405.16	3.11	-72.71
CCC(C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)[NH+](C)C	REAL300029879817	0	51	0.0	-70.99	388.02	4.01	-66.98
C[NH+](C)C1(CC(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)CCCC1	REAL300029879831	0	58	0.0	-70.71	419.02	4.86	-65.85
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1=CC2=C[NH+]=CN2C=C1	REAL300029879875	1	47	0.0	-75.11	384.78	5.81	-69.30
C[NH+](C)CCCCC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029879933	0	54	0.0	-73.73	419.89	4.41	-69.32
CC(C)C(C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)[NH+](C)C	REAL300029879953	0	54	0.0	-72.74	404.07	4.35	-68.39
CCC[N@H+](C)CCC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029879955	0	54	0.0	-74.88	416.13	4.34	-70.54
CCC[N@@H+](C)CCC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029879955	1	54	0.0	-74.90	415.67	4.30	-70.60
CCC[N@H+](C)CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029879961	0	51	0.0	-73.25	393.30	3.77	-69.48
CCC[N@@H+](C)CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029879961	1	51	0.0	-68.64	394.39	3.85	-64.79
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C12CC[N@H+](C1)CCC2	REAL300029879985	0	53	0.0	-73.36	396.52	3.58	-69.78
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C12CC[N@@H+](C1)CCC2	REAL300029879985	1	53	0.0	-79.10	396.48	3.52	-75.58
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029880025	0	49	0.0	-73.43	374.46	2.82	-70.61
C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029880025	1	49	0.0	-71.25	380.74	3.33	-67.92
CCCCCC[N@H+](C)CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029880085	0	60	0.0	-69.62	458.89	6.18	-63.44
CCCCCC[N@@H+](C)CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029880085	1	60	0.0	-69.69	458.89	6.19	-63.50
CC[NH+](CC)C(C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C(C)C	REAL300029880090	0	60	0.0	-69.69	434.95	5.49	-64.20
CC[NH+](CC)CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029880099	0	51	0.0	-71.43	386.12	3.47	-67.96
CCC[N@@H+]1CCCC(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029880131	0	58	0.0	-73.53	438.14	5.28	-68.25
CCC[N@H+]1CCCC(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029880131	1	58	0.0	-73.46	438.46	5.31	-68.15
CC(C)[N@@H+]1CCOC(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029880148	0	56	0.0	-74.50	419.05	3.71	-70.79
CC(C)[N@H+]1CCOC(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029880148	1	56	0.0	-78.80	426.45	3.98	-74.82
CC1CC[NH+](CC(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)CC1	REAL300029880180	0	55	0.0	-73.42	417.10	4.87	-68.55
C[NH+]1CCC(OCC(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)CC1	REAL300029880208	0	56	0.0	-75.53	435.09	4.53	-71.00
C[NH+](C)CC1(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)CC1	REAL300029880222	0	52	0.0	-74.57	403.72	4.28	-70.29
CC1=[NH+]C=C2CCC(C(=O)NC[C@@H]3C[C@H]4CN(C(=O)C5=CC(=O)[N-]O5)C[C@@H]34)CN21	REAL300029880223	1	54	0.0	-68.54	421.92	5.01	-63.53
CC(C)[NH+]1CCC(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)CC1	REAL300029880298	0	58	0.0	-71.21	433.41	5.17	-66.04
C[NH+]1CCC(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)CC1	REAL300029880319	0	52	0.0	-77.74	398.83	3.94	-73.80
CC(C)[C@H](C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)[NH+](C)C	REAL300029880337	0	54	0.0	-70.65	397.41	3.90	-66.75
CCC(C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)[NH+](CC)CC	REAL300029880368	0	57	0.0	-66.66	419.37	4.74	-61.92
CC[N@H+](C)CCC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029880430	0	51	0.0	-72.22	394.63	3.48	-68.74
CC[N@@H+](C)CCC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029880430	1	51	0.0	-74.21	394.63	3.60	-70.61
CC1CCC[N@@H+]1CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029880486	0	52	0.0	-65.39	393.89	3.82	-61.57
CC1CCC[N@H+]1CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029880486	1	52	0.0	-70.02	399.69	4.12	-65.90
CC1CC[N@H+](CC(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029880488	0	52	0.0	-71.96	400.68	4.08	-67.88
CC1CC[N@@H+](CC(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029880488	1	52	0.0	-70.24	400.23	4.03	-66.21
CC1=[NH+]C=C2CC(C(=O)NC[C@@H]3C[C@H]4CN(C(=O)C5=CC(=O)[N-]O5)C[C@@H]34)CCN21	REAL300029880490	1	54	0.0	-68.59	423.60	5.04	-63.55
CC1(C)CC[N@H+](CC(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029880493	0	55	0.0	-73.33	419.53	4.52	-68.81
CC1(C)CC[N@@H+](CC(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029880493	1	55	0.0	-71.87	419.41	4.59	-67.28
C[N@H+](CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)CC(C)(C)C	REAL300029880494	0	57	0.0	-68.24	423.00	4.84	-63.40
C[N@@H+](CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)CC(C)(C)C	REAL300029880494	1	57	0.0	-68.13	424.95	4.98	-63.15
CC[C@@H](C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)[NH+](C)C	REAL300029880503	0	51	0.0	-71.21	384.69	3.30	-67.91
C[NH+]1CCC(O)(CC(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)CC1	REAL300029880682	0	56	0.0	-69.66	422.27	2.68	-66.98
C[NH+](C)CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029880694	0	45	0.0	-73.57	354.54	2.39	-71.18
O=C(C[NH+]1CCC(CO)CC1)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029880698	1	56	0.0	-76.19	427.95	1.56	-74.63
O=C(C[NH+]1CCCCCC1)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029880700	0	55	0.0	-73.68	405.25	4.31	-69.37
CN1C=C[N+](CC(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)=C1	REAL300029880704	0	47	0.0	-71.06	385.25	5.86	-65.20
C[N@@H+]1CCCC(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029880711	0	52	0.0	-74.31	399.01	3.89	-70.42
C[N@H+]1CCCC(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029880711	1	52	0.0	-71.66	399.05	3.94	-67.72
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1CCC[N@@H+]1C1CC1	REAL300029880716	0	53	0.0	-65.59	410.33	4.81	-60.78
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1CCC[N@H+]1C1CC1	REAL300029880716	1	53	0.0	-71.98	404.66	4.13	-67.85
CC(C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)[NH+]1CCC1	REAL300029880745	1	49	0.0	-68.62	384.54	3.21	-65.41
CCC(CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C[NH+](C)C	REAL300029880751	0	57	0.0	-77.15	428.91	4.97	-72.18
C[NH+](C)CC(C)(C)C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029880758	0	54	0.0	-71.10	404.47	4.04	-67.06
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C12CC(C1)C[N@@H+]2C1CC1	REAL300029880776	0	54	0.0	-70.11	411.49	4.97	-65.14
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C12CC(C1)C[N@H+]2C1CC1	REAL300029880776	1	54	0.0	-73.86	410.26	5.59	-68.27
O=C(C[NH+]1CCC(O)CC1)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029880787	1	53	0.0	-76.71	407.36	0.91	-75.80
C[N@H+](CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1CC1	REAL300029880788	0	49	0.0	-65.88	384.45	3.84	-62.04
C[N@@H+](CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1CC1	REAL300029880788	1	49	0.0	-70.82	383.50	3.76	-67.06
CC(C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)N1CC[NH+](C)CC1	REAL300029880789	1	57	0.0	-71.93	425.61	2.10	-69.83
C[NH+]1CC(CC(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029880808	0	49	0.0	-72.60	385.97	3.10	-69.50
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1CC[N@@H+]1C1CCCC1	REAL300029880812	0	56	0.0	-73.86	426.45	5.21	-68.65
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1CC[N@H+]1C1CCCC1	REAL300029880812	1	56	0.0	-68.90	420.52	4.76	-64.14
CC(C)(C)[N@@H+]1CCC1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029880820	0	55	0.0	-70.63	415.84	3.98	-66.65
CC(C)(C)[N@H+]1CCC1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029880820	1	55	0.0	-72.18	399.48	3.54	-68.64
C[C@@H](C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)[NH+](C)C	REAL300029880831	0	48	0.0	-71.27	371.93	2.77	-68.50
CCC1CCC[N@H+](CC(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029880873	0	58	0.0	-70.81	428.51	5.34	-65.47
CCC1CCC[N@@H+](CC(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029880873	1	58	0.0	-72.19	427.56	5.01	-67.18
C[NH+](C)CC1=CC=C(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)N1	REAL300029880881	0	53	0.0	-80.66	421.33	3.54	-77.12
[NH2+]=C1SC=CN1CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029880926	0	45	0.0	-69.61	381.12	2.53	-67.08
C[N@H+](CCO)CCC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029880936	0	52	0.0	-74.16	404.52	0.35	-73.81
C[N@@H+](CCO)CCC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029880936	1	52	0.0	-73.60	404.48	0.35	-73.25
C[C@@H](C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)[NH+](C)C	REAL300029880937	0	48	0.0	-71.27	371.93	2.77	-68.50
C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029880941	0	52	0.0	-68.26	387.00	3.72	-64.54
C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029880941	1	52	0.0	-64.67	397.12	4.02	-60.65
CC1CN2CC[N@@H+]1CC2C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029880950	0	55	0.0	-72.66	407.22	1.27	-71.39
CC1CN2CC[N@H+]1CC2C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029880950	1	55	0.0	-78.36	407.18	1.26	-77.10
O=C(CC1=CC2=C[NH+]=CN2C=C1)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029880996	0	50	0.0	-70.31	409.57	6.62	-63.69
C[N@H+](CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1CCSC1	REAL300029881021	0	53	0.0	-78.78	413.57	4.58	-74.20
C[N@@H+](CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1CCSC1	REAL300029881021	1	53	0.0	-74.18	414.52	4.67	-69.51
O=C(C[NH+]1CCC1)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881022	1	46	0.0	-73.18	364.18	2.77	-70.41
C[NH+](C)CC1=CC(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)=CC=N1	REAL300029881052	1	54	0.0	-73.66	428.43	4.03	-69.63
C[N@@H+]1CCC(=CC(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029881054	0	50	0.0	-75.06	392.35	3.87	-71.19
C[N@H+]1CCC(=CC(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029881054	1	50	0.0	-73.71	393.09	4.01	-69.70
C[NH+](C)CCOCC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881088	0	52	0.0	-73.39	409.97	3.41	-69.98
CCCCC[N@H+](C)CCC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881094	0	60	0.0	-75.80	459.12	5.90	-69.90
CCCCC[N@@H+](C)CCC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881094	1	60	0.0	-73.75	459.13	5.79	-67.96
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)O1	REAL300029881103	0	56	0.0	-72.79	433.40	4.24	-68.55
C=CCC(C)(C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)[NH+](C)C	REAL300029881110	0	55	0.0	-66.89	408.03	4.34	-62.55
C[S+](C)CCC(O)C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881115	0	51	0.0	-75.56	418.67	2.04	-73.52
C[N@@H+]1CC(O)CC1(C)C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881142	0	53	0.0	-79.81	401.86	0.57	-79.24
CN1CC[N@H+](C)CC(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029881154	0	57	0.0	-68.39	425.72	2.56	-65.83
CN1CC[N@@H+](C)CC(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029881154	1	57	0.0	-68.39	425.72	2.56	-65.83
CC(C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)[N@@H+]1CCCC(O)C1	REAL300029881155	0	56	0.0	-72.00	423.26	1.37	-70.63
O=C(CN1CCC(CO)CC1)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881165	0	56	0.0	-76.19	427.95	1.56	-74.63
O=C(C[NH+]1CCC(CO)CC1)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881165	1	56	0.0	-76.19	427.95	1.56	-74.63
C[N@@H+]1CCCC(O)(CC(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029881174	0	56	0.0	-65.27	425.90	2.76	-62.51
C[N@H+]1CCCC(O)(CC(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029881174	1	56	0.0	-65.27	425.90	2.76	-62.51
CC1CN(CC(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029881177	0	49	0.0	-74.54	384.35	3.41	-71.13
CC1C[NH+](CC(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029881177	1	49	0.0	-74.54	384.35	3.41	-71.13
CN(CCO)CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881204	0	49	0.0	-69.42	383.25	-0.14	-69.56
C[N@H+](CCO)CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881204	1	49	0.0	-68.40	383.03	-0.14	-68.54
C[N@@H+](CCO)CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881204	1	49	0.0	-68.40	383.03	-0.14	-68.54
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1C[N@@H+]2CCN1CCC2	REAL300029881227	0	55	0.0	-77.09	402.22	1.69	-75.40
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1C[N@H+]2CCN1CCC2	REAL300029881227	1	55	0.0	-77.09	402.22	1.69	-75.40
CC[N@@H+]1CCCC(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029881233	0	55	0.0	-71.63	416.91	4.63	-67.00
CC[N@H+]1CCCC(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029881233	1	55	0.0	-71.63	416.91	4.63	-67.00
CC(CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C[NH+](C)C	REAL300029881235	0	54	0.0	-71.66	412.35	4.43	-67.23
CC[N@H+](C)CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881248	0	48	0.0	-68.31	372.90	3.10	-65.21
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C12CCC[N@@H+]1CCCC2	REAL300029881276	0	56	0.0	-67.62	408.62	4.95	-62.67
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C12CCC[N@H+]1CCCC2	REAL300029881276	1	56	0.0	-67.62	408.62	4.95	-62.67
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C12CCC[N@@H+]1CC=CC2	REAL300029881283	0	54	0.0	-65.52	402.11	4.62	-60.90
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C12CCC[N@H+]1CC=CC2	REAL300029881283	1	54	0.0	-65.52	402.11	4.62	-60.90
CC[N@H+](CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1CC1	REAL300029881304	0	52	0.0	-65.80	401.53	4.40	-61.40
CC[NH+](CC)CCC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881322	0	54	0.0	-71.27	412.48	4.19	-67.08
CC1(C)CN(CC(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029881347	0	52	0.0	-73.12	404.54	4.01	-69.11
CC1(C)C[NH+](CC(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029881347	1	52	0.0	-73.12	404.54	4.01	-69.11
CC1(O)CC[N@H+](CC(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029881375	0	53	0.0	-71.04	410.57	0.70	-70.34
C[NH+](C)CC=CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881382	0	49	0.0	-76.71	390.62	3.57	-73.14
CC(OCC[NH+](C)C)C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881404	0	55	0.0	-73.41	429.48	4.12	-69.29
C[NH+](C)CCOCCC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881413	0	55	0.0	-72.75	430.87	3.15	-69.60
COCCN(C)CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881414	0	52	0.0	-68.10	405.28	2.26	-65.84
COCC[N@H+](C)CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881414	1	52	0.0	-69.44	405.50	2.27	-67.17
COCC[N@@H+](C)CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881414	1	52	0.0	-69.44	405.50	2.27	-67.17
C[NH+](C)C1(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)CCCC1	REAL300029881450	0	55	0.0	-76.22	406.62	4.73	-71.49
CC(CCC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)[NH+](C)C	REAL300029881453	0	54	0.0	-74.32	408.17	4.00	-70.32
CCN1CCC1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881462	0	49	0.0	-71.75	386.17	3.33	-68.42
CC[N@@H+]1CCC1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881462	1	49	0.0	-68.98	378.87	2.96	-66.02
CC[N@H+]1CCC1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881462	1	49	0.0	-68.98	378.87	2.96	-66.02
CC(C)[N@@H+]1CCCC(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029881472	0	58	0.0	-66.97	427.09	5.27	-61.70
CC(C)[N@H+]1CCCC(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029881472	1	58	0.0	-66.97	427.09	5.27	-61.70
O=C(C[N@H+]1CCCC1CO)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881485	0	53	0.0	-70.83	400.08	0.81	-70.02
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1CC2CCCC[N@@H+]2C1	REAL300029881507	0	56	0.0	-70.53	421.89	5.00	-65.53
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1CC2CCCC[N@H+]2C1	REAL300029881507	1	56	0.0	-70.53	421.89	5.00	-65.53
C[NH+]1CCC(C)(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)CC1	REAL300029881513	0	55	0.0	-73.17	411.51	4.34	-68.83
C=CCC(C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)[NH+](C)C	REAL300029881543	0	52	0.0	-71.79	400.44	4.05	-67.74
C[N@@H+]1CC(C)(C)CC1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881556	0	55	0.0	-68.38	415.54	4.05	-64.33
C[NH+](C)CCCCCC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881560	0	57	0.0	-73.45	441.39	5.19	-68.26
CC1C[N@@H+]2CCN1C(C(=O)NC[C@@H]1C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]13)C2	REAL300029881595	0	55	0.0	-78.20	406.79	1.43	-76.77
CCCC(C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)[NH+](C)C	REAL300029881596	0	54	0.0	-69.37	408.79	4.22	-65.15
C[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881600	0	51	0.0	-71.12	382.11	3.46	-67.66
C[N@@H+]1CCCCC1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881642	0	52	0.0	-70.60	386.61	3.82	-66.78
C[N@H+]1CC=C(CC(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)CC1	REAL300029881682	0	53	0.0	-71.11	413.77	4.70	-66.41
C[N@@H+]1CC=C(CC(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)CC1	REAL300029881682	1	53	0.0	-71.11	413.77	4.70	-66.41
O=C(CC1([NH+]2CCCC2)CC1)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881691	0	56	0.0	-66.03	421.29	5.17	-60.86
CN(C)CC1=CC=C(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)O1	REAL300029881740	0	52	0.0	-78.47	417.29	4.09	-74.38
C[NH+](C)CC1=CC=C(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)O1	REAL300029881740	1	52	0.0	-78.47	417.29	4.09	-74.38
O=C(C=CC[NH+]1CCCC1)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881757	0	53	0.0	-75.34	415.56	4.70	-70.64
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1CC[NH+](C2CC2)CC1	REAL300029881781	0	56	0.0	-73.87	421.94	5.12	-68.75
O=C(CC[NH+]1CCCC1)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881804	0	52	0.0	-71.67	402.87	4.01	-67.66
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1C[NH+]2CCN1CC2	REAL300029881842	0	52	0.0	-77.59	390.85	0.78	-76.81
C[N@@H+]1CC2CC1(C(=O)NC[C@@H]1C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]13)C2	REAL300029881852	0	50	0.0	-76.15	386.52	3.41	-72.74
C[N@H+]1CC2CC1(C(=O)NC[C@@H]1C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]13)C2	REAL300029881852	1	50	0.0	-75.95	386.06	3.39	-72.56
O=C(C[N@@H+]1CC2CCC1C2)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881866	0	53	0.0	-70.91	400.45	4.47	-66.44
O=C(C[N@H+]1CC2CCC1C2)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881866	1	53	0.0	-71.44	398.19	4.14	-67.30
O=C(C=C1C[NH+]2CCC1CC2)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881907	0	54	0.0	-70.47	410.62	4.64	-65.83
O=C(C[N@@H+]1CC2C=CC1C2)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881917	1	51	0.0	-69.18	393.36	4.21	-64.97
O=C(C[N@H+]1CC2C=CC1C2)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881917	1	51	0.0	-70.51	393.63	4.14	-66.37
CC[NH+]1CCN(CC(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)CC1	REAL300029881949	0	57	0.0	-71.90	430.71	2.58	-69.32
CC(C[NH+](C)C)C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881969	0	51	0.0	-73.54	393.05	3.64	-69.90
C[N@@H+]1CCCCC1CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029882047	0	55	0.0	-66.73	405.60	4.43	-62.30
C[N@H+]1CCCCC1CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029882047	1	55	0.0	-74.64	413.17	4.58	-70.06
CC1=C2C=C(C(=O)NC[C@@H]3C[C@H]4CN(C(=O)C5=CC(=O)[N-]O5)C[C@@H]34)C=CN2C=[NH+]1	REAL300029882063	1	50	0.0	-73.12	406.69	6.37	-66.75
CC(C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)[NH+]1CC(C)C1	REAL300029882064	1	52	0.0	-68.11	403.15	3.92	-64.19
CC1CC[N@@H+]1CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029882067	1	49	0.0	-70.97	379.80	3.16	-67.81
CC1CC[N@H+]1CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029882067	1	49	0.0	-70.72	379.60	3.18	-67.54
C[NH+](C)CC(O)CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029882072	0	52	0.0	-77.48	406.78	1.36	-76.12
CC1C[N@H+](C)CC(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)O1	REAL300029882100	1	53	0.0	-84.48	413.00	3.46	-81.02
CC1C[N@@H+](C)CC(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)O1	REAL300029882100	1	53	0.0	-78.58	406.51	3.19	-75.39
O=C(CC[NH+]1CCC(O)CC1)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029882109	0	56	0.0	-77.37	429.63	1.47	-75.90
CCC[N@@H+]1CCCCC1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029882111	0	58	0.0	-69.98	425.79	5.22	-64.76
CCC[N@H+]1CCCCC1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029882111	1	58	0.0	-65.91	427.03	5.26	-60.65
C[NH+](C)[C@H]1C[C@H](C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029882190	0	52	0.0	-72.76	404.26	4.07	-68.69
CC(CC[NH+](C)C)C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029882198	0	54	0.0	-73.80	414.69	4.26	-69.54
C[N@H+](CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)[C@@H]1CCC[C@H]1O	REAL300029882219	0	56	0.0	-68.94	425.18	1.75	-67.19
C[N@@H+](CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)[C@@H]1CCC[C@H]1O	REAL300029882219	1	56	0.0	-71.30	425.16	1.77	-69.53
C#CC[N@H+]1CCCCC1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029882228	1	54	0.0	-66.29	413.05	5.06	-61.23
C#CC[N@@H+]1CCCCC1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029882228	1	54	0.0	-71.61	412.09	4.89	-66.72
C[NH+]1CCN(CC(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)CC1	REAL300029882231	1	54	0.0	-73.10	412.97	1.90	-71.20
CC[NH+]1CCN(CC(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)CC1	REAL300029882240	0	57	0.0	-71.90	430.71	2.58	-69.32
NC(=[NH2+])SCC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029882266	0	43	0.0	-69.96	363.09	-0.61	-70.57
CC[N@@H+]1CCOCC1CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029882303	0	56	0.0	-75.52	417.66	2.62	-72.90
C[NH+](C)C1CCC(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)CC1	REAL300029882319	0	58	0.0	-74.12	433.22	5.14	-68.98
C[NH+](C)CCC1(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)CC1	REAL300029882320	0	55	0.0	-69.95	430.04	4.83	-65.12
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)CC1	REAL300029882322	0	58	0.0	-71.32	426.67	4.97	-66.35
C[N@@H+]1CC=CCC1CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029882323	0	53	0.0	-68.64	400.74	4.29	-64.35
C[N@H+]1CC=CCC1CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029882323	1	53	0.0	-68.64	400.74	4.29	-64.35
C[C@@H](OCC[NH+](C)C)C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029882346	0	55	0.0	-70.99	430.26	4.11	-66.88
C[NH+]1C2CCC1CC(C(=O)NC[C@@H]1C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]13)C2	REAL300029882374	0	56	0.0	-69.67	397.23	4.83	-64.84
CC(C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)[NH+]1CCSCC1	REAL300029882484	1	53	0.0	-73.61	409.24	4.24	-69.37
CCC1C[NH+](CC(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029882486	1	52	0.0	-75.13	406.74	4.08	-71.05
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1([NH+]2CCCC2)CCC1	REAL300029882488	0	56	0.0	-67.62	417.05	5.07	-62.55
C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029882497	1	49	0.0	-73.21	374.47	2.83	-70.38
O=C(CC[N@@H+]1CCC(F)C1)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029882504	1	52	0.0	-77.97	408.56	4.09	-73.88
COC1C[N@@H+](C)C(C)(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C1	REAL300029882512	1	56	0.0	-76.41	425.56	2.77	-73.64
O=C(CC[NH+]1CCCCCC1)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029882521	0	58	0.0	-75.29	428.08	4.97	-70.32
O=C(C[NH+]1CCCCC1)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029882523	0	52	0.0	-72.12	396.56	4.23	-67.89
CC1C(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)CC[N@@H+]1C	REAL300029882533	0	52	0.0	-71.06	392.77	3.63	-67.43
CC1C(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)CC[N@H+]1C	REAL300029882533	1	52	0.0	-75.34	391.97	3.46	-71.88
C[N@@H+]1CCCCC1CCC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029882535	0	58	0.0	-72.58	435.82	5.20	-67.38
C[N@H+]1CCCCC1CCC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029882535	1	58	0.0	-74.79	427.75	5.10	-69.69
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1CC[N@@H+]2CCOCC12	REAL300029882565	0	54	0.0	-76.30	412.98	2.65	-73.65
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1CC[N@H+]2CCOCC12	REAL300029882565	1	54	0.0	-71.81	409.53	2.59	-69.22
CC1=[NH+]C=C2C=CC(C(=O)NC[C@@H]3C[C@H]4CN(C(=O)C5=CC(=O)[N-]O5)C[C@@H]34)=CN21	REAL300029882570	0	50	0.0	-69.93	406.23	5.64	-64.29
CN1CCOCC1CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029882587	0	53	0.0	-69.29	397.62	2.03	-67.26
C[N@@H+]1CCOCC1CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029882587	1	53	0.0	-79.80	404.85	2.09	-77.71
C[N@H+]1CCOCC1CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029882587	1	53	0.0	-69.29	397.62	2.03	-67.26
CC1=C(C)[NH+]=C(CCC(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)N1	REAL300029882595	1	53	0.0	-66.62	424.76	3.56	-63.06
C[N@H+]1CCCC1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029882767	1	49	0.0	-69.23	375.38	3.00	-66.23
CN1CCOC(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029882793	0	50	0.0	-82.55	389.80	2.80	-79.75
C[N@@H+]1CCOC(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029882793	1	50	0.0	-75.22	382.16	2.60	-72.62
C[N@H+]1CCOC(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029882793	1	50	0.0	-82.55	389.80	2.80	-79.75
CC1=[NH+]C=CN1CCCC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029882955	1	53	0.0	-69.58	428.18	5.33	-64.25
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C=C1	REAL300029882960	0	55	0.0	-80.60	431.09	5.57	-75.03
O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029882961	1	53	0.0	-75.50	412.51	2.44	-73.06
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029882986	0	53	0.0	-66.19	393.22	3.76	-62.43
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC4=C[NH+]=CN4C=C3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029882996	1	47	0.0	-75.06	392.38	5.84	-69.22
C[NH+](C)C1CCCC(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029883056	0	58	0.0	-75.95	425.49	4.93	-71.02
C[N@@H+]1CCC(CC(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029883059	0	52	0.0	-73.70	403.02	4.11	-69.59
C[N@H+]1CCC(CC(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029883059	1	52	0.0	-73.25	403.76	4.12	-69.13
CN(C)C1=CC=[NH+]C=C1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029883071	0	51	0.0	-76.98	406.82	2.39	-74.59
CCC(C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)[NH+](C)C	REAL300029883076	0	51	0.0	-68.68	387.46	3.46	-65.22
C[NH+](C)CCCCC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029883143	0	54	0.0	-74.29	422.72	4.56	-69.73
CC(C)C(C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)[NH+](C)C	REAL300029883165	0	54	0.0	-68.25	401.04	4.00	-64.25
CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029883167	0	54	0.0	-73.62	418.96	4.37	-69.25
CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029883167	1	54	0.0	-73.66	418.83	4.38	-69.28
CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029883173	0	51	0.0	-70.85	396.53	3.83	-67.02
CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029883173	1	51	0.0	-70.83	396.52	3.82	-67.01
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C34CC[N@H+](C3)CCC4)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029883197	0	53	0.0	-74.06	390.74	3.29	-70.77
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C34CC[N@@H+](C3)CCC4)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029883197	1	53	0.0	-73.73	389.44	3.24	-70.49
CCCCCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029883233	0	60	0.0	-70.86	462.30	6.31	-64.55
CCCCCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029883233	1	60	0.0	-72.13	461.02	6.17	-65.96
CC[NH+](CC)C(C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)C(C)C	REAL300029883238	0	60	0.0	-63.56	432.03	5.08	-58.48
CC1CC[NH+](CC(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)CC1	REAL300029883271	0	55	0.0	-71.00	419.43	4.98	-66.02
C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)CC1	REAL300029883299	0	56	0.0	-76.66	438.54	4.71	-71.95
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3CC4CCCC[N@@H+]4C3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029883344	0	56	0.0	-70.09	421.17	4.97	-65.12
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3CC4CCCC[N@H+]4C3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029883344	1	56	0.0	-74.21	421.36	5.01	-69.20
C[NH+](C)CC1(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)CC1	REAL300029883355	0	52	0.0	-72.55	404.18	3.94	-68.61
CC1=[NH+]C=C2CCC(C(=O)N3C[C@@H]4C[C@@H](CNC(=O)C5=CC(=O)[N-]O5)[C@@H]4C3)CN21	REAL300029883356	1	54	0.0	-67.14	424.53	4.99	-62.15
CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)CC1	REAL300029883367	0	58	0.0	-73.56	427.63	4.81	-68.75
CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029883392	0	51	0.0	-72.87	397.33	3.64	-69.23
CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029883392	1	51	0.0	-73.00	397.46	3.61	-69.39
CC(C)(C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)[NH+]1CCCCC1	REAL300029883418	0	58	0.0	-68.90	415.41	5.29	-63.61
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3C[NH+]4CCC3CC4)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029883428	0	53	0.0	-79.14	394.87	4.01	-75.13
C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)CC1	REAL300029883508	0	52	0.0	-76.44	396.97	3.87	-72.57
CC(C)[C@H](C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)[NH+](C)C	REAL300029883526	0	54	0.0	-69.84	400.30	3.96	-65.88
CC[NH+](CC)CC(F)C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029883621	0	54	0.0	-73.71	413.86	4.13	-69.58
CC(C)C[N@@H+]1CCC(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029883656	0	58	0.0	-71.44	437.31	5.31	-66.13
CC(C)C[N@H+]1CCC(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029883656	1	58	0.0	-71.65	439.49	5.28	-66.37
C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)CCC1	REAL300029883660	0	52	0.0	-74.08	386.95	3.94	-70.14
CCC(C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)[NH+](CC)CC	REAL300029883691	0	57	0.0	-64.38	417.50	4.67	-59.71
CC1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029883711	0	52	0.0	-67.19	396.13	3.79	-63.40
CC1CCC[N@H+]1CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029883711	1	52	0.0	-67.71	402.13	4.08	-63.63
CC(C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)[NH+]1CCCCCC1	REAL300029883781	0	58	0.0	-66.74	425.39	4.79	-61.95
CC(C)[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029883783	0	58	0.0	-65.28	420.01	4.60	-60.68
CC(C)[N@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029883783	1	58	0.0	-65.25	419.92	4.59	-60.66
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029883804	0	55	0.0	-68.02	407.15	4.63	-63.39
CC(C)[N@H+]1CCCC1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029883804	1	55	0.0	-68.14	408.16	4.91	-63.23
CC(C)[N@@H+]1CCCC1CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029883810	0	58	0.0	-63.72	426.57	4.97	-58.75
CC(C)[N@H+]1CCCC1CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029883810	1	58	0.0	-69.52	436.74	5.06	-64.46
CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)[NH+](C)C	REAL300029883825	0	54	0.0	-68.46	401.74	4.23	-64.23
CC1CC[N@H+](CC(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029883846	0	52	0.0	-70.06	402.99	4.15	-65.91
CC1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029883846	1	52	0.0	-69.71	402.62	4.09	-65.62
CC1=[NH+]C=C2CC(C(=O)N3C[C@@H]4C[C@@H](CNC(=O)C5=CC(=O)[N-]O5)[C@@H]4C3)CCN21	REAL300029883848	1	54	0.0	-68.89	426.49	5.06	-63.83
CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029883851	0	55	0.0	-68.93	423.62	4.80	-64.13
CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029883851	1	55	0.0	-70.88	423.11	4.70	-66.18
C[N@H+](CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)CC(C)(C)C	REAL300029883852	0	57	0.0	-69.41	428.21	5.05	-64.36
C[N@@H+](CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)CC(C)(C)C	REAL300029883852	1	57	0.0	-70.33	427.44	4.98	-65.35
CC[C@@H](C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)[NH+](C)C	REAL300029883861	0	51	0.0	-65.75	385.98	3.41	-62.34
CN(CCC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)C1=CC=[NH+]C=C1	REAL300029883988	0	54	0.0	-68.38	431.32	4.18	-64.20
CC1=[NH+]C=CN1CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029884072	1	47	0.0	-66.87	387.59	4.18	-62.69
CC(C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029884074	0	56	0.0	-74.39	429.05	2.98	-71.41
O=C(CCC[NH+]1CCCCC1)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029884091	0	58	0.0	-72.52	442.27	5.63	-66.89
C[NH+](C)CC1=CC(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)=NO1	REAL300029884109	1	51	0.0	-79.20	413.38	3.72	-75.48
CC1=C(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C=CC2=C[NH+]=CN21	REAL300029884110	0	50	0.0	-72.70	407.73	6.22	-66.48
CC(C)C1=[NH+]C=CN1CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029884145	1	53	0.0	-66.00	422.29	5.22	-60.78
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3CCCC4CCC[N@@H+]43)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029884181	0	56	0.0	-64.43	409.82	4.56	-59.87
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3CCCC4CCC[N@H+]43)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029884181	1	56	0.0	-65.80	410.70	4.64	-61.16
CC[N@@H+]1CCOC(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029884203	1	53	0.0	-80.97	408.62	3.36	-77.61
CC[N@H+]1CCOC(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029884203	1	53	0.0	-74.39	399.83	3.21	-71.18
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CN4C=[NH+]C=C4C=C3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029884256	0	47	0.0	-74.32	392.51	5.84	-68.48
CC1=C[NH+]=CN1CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029884261	1	47	0.0	-70.06	386.72	4.82	-65.24
C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)CC[N@@H+]1C	REAL300029884277	0	52	0.0	-73.20	393.79	3.78	-69.42
C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)CC[N@H+]1C	REAL300029884277	1	52	0.0	-73.36	399.05	3.71	-69.65
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)CC[N@@H+]1C	REAL300029884282	0	55	0.0	-72.18	410.91	3.93	-68.25
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)CC[N@H+]1C	REAL300029884282	1	55	0.0	-71.81	414.74	4.36	-67.45
CC1CCC(C)[NH+]1CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029884295	0	55	0.0	-67.27	416.49	4.43	-62.84
O=C(CCC[NH+]1CCCC1)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029884301	0	55	0.0	-72.26	426.17	4.88	-67.38
C[NH+](C)CC1=CC=CC(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)=C1	REAL300029884302	0	55	0.0	-80.91	431.29	5.49	-75.42
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)CC1	REAL300029884308	0	54	0.0	-77.91	422.30	5.00	-72.91
O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029884309	0	55	0.0	-72.17	421.23	4.85	-67.32
C[NH+](C)CC1=CC=CC=C1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029884313	0	55	0.0	-67.74	429.24	5.50	-62.24
CC[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029884317	0	55	0.0	-66.02	415.73	4.58	-61.44
CC[N@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029884317	1	55	0.0	-69.24	407.61	4.39	-64.85
C[NH+](C)C(C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)C1=CC=CC=C1	REAL300029884320	1	55	0.0	-68.39	424.27	5.67	-62.72
O=C(CN1C=[NH+]C2=C1CCCC2)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029884325	1	54	0.0	-69.31	428.82	6.46	-62.85
C[NH+](C)C1(CC(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)CCCC1	REAL300029884361	0	58	0.0	-74.00	421.06	4.88	-69.12
C[N@H+](CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)C1CCC1	REAL300029884526	0	52	0.0	-68.63	403.51	4.39	-64.24
C[N@@H+](CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)C1CCC1	REAL300029884526	1	52	0.0	-67.33	404.81	4.54	-62.79
CC(C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)[NH+]1C(C)CCC1C	REAL300029884551	0	58	0.0	-65.11	424.02	4.41	-60.70
O=C(CCCC[NH+]1CCCC1)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029884564	0	58	0.0	-73.05	447.66	5.66	-67.39
C[N@H+](CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)CC1=CC=CC=C1	REAL300029884566	1	55	0.0	-75.19	433.95	6.01	-69.18
C[N@@H+](CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)CC1=CC=CC=C1	REAL300029884566	1	55	0.0	-73.69	435.19	6.14	-67.55
C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)CC1	REAL300029884577	0	52	0.0	-76.44	396.97	3.87	-72.57
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029884622	0	49	0.0	-69.96	376.01	2.89	-67.07
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029884622	1	49	0.0	-67.99	379.31	3.26	-64.73
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029884646	1	51	0.0	-67.65	402.46	4.09	-63.56
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029884646	1	51	0.0	-67.69	404.98	4.52	-63.17
C[N@@H+]1CCCC1CCC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029884652	0	55	0.0	-71.13	419.30	4.44	-66.69
C[N@H+]1CCCC1CCC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029884652	1	55	0.0	-71.02	419.10	4.45	-66.57
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029884663	0	56	0.0	-72.19	403.95	4.16	-68.03
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3CCC4CCCC[N@@H+]43)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029884670	0	56	0.0	-66.53	423.60	5.27	-61.26
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3CCC4CCCC[N@H+]43)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029884670	1	56	0.0	-65.42	421.20	5.18	-60.24
CCC[N@@H+]1CCCC(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029884743	0	58	0.0	-71.12	436.34	5.17	-65.95
CCC[N@H+]1CCCC(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029884743	1	58	0.0	-64.95	431.00	5.54	-59.41
CC(C)[N@@H+]1CCOC(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029884760	1	56	0.0	-70.81	417.20	3.70	-67.11
CC(C)[N@H+]1CCOC(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029884760	1	56	0.0	-76.83	424.53	3.92	-72.91
C[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029884791	0	52	0.0	-66.86	397.20	4.04	-62.82
C[N@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029884791	1	52	0.0	-67.63	396.45	3.99	-63.64
CC(C)C[N@@H+]1CCCC1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029884815	0	58	0.0	-68.60	428.31	5.72	-62.88
CC(C)C[N@H+]1CCCC1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029884815	1	58	0.0	-66.82	439.08	5.55	-61.27
O=C(C[NH+]1CCC(CO)CC1)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029884830	0	56	0.0	-73.93	430.26	1.67	-72.26
CC1C(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)CC[N@@H+]1C	REAL300029884876	0	52	0.0	-72.14	398.20	3.91	-68.23
CC1C(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)CC[N@H+]1C	REAL300029884876	1	52	0.0	-71.99	397.65	3.95	-68.04
C[N@@H+]1CCCCC1CCC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029884878	0	58	0.0	-70.75	438.42	5.34	-65.41
C[N@H+]1CCCCC1CCC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029884878	1	58	0.0	-71.50	438.86	5.40	-66.10
NC1=[NH+]C2=C(C=C1C(=O)N1C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C1)CCC2	REAL300029884910	1	52	0.0	-64.26	410.92	3.16	-61.10
CC(C)(C)[N@@H+]1CCC1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029884974	0	55	0.0	-66.09	397.66	3.32	-62.77
CC(C)(C)[N@H+]1CCC1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029884974	1	55	0.0	-67.67	398.88	3.42	-64.25
C[C@@H](C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)[NH+](C)C	REAL300029884993	0	48	0.0	-69.08	373.82	2.72	-66.36
C[NH+](C)CC1=CC(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)=CC=N1	REAL300029885007	1	54	0.0	-72.34	425.26	3.59	-68.75
C=CCC(C)(C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)[NH+](C)C	REAL300029885011	0	55	0.0	-69.85	397.90	3.98	-65.87
O=C(CC[NH+]1CCCC1)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885036	0	52	0.0	-72.38	405.68	4.14	-68.24
C[N@H+](CCO)CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885046	1	49	0.0	-71.43	385.37	-0.15	-71.58
C[N@@H+](CCO)CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885046	1	49	0.0	-70.15	386.44	-0.03	-70.18
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3C[N@@H+]4CCN3CCC4)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029885084	0	55	0.0	-78.12	404.84	2.10	-76.02
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3C[N@H+]4CCN3CCC4)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029885084	1	55	0.0	-79.37	400.24	1.49	-77.88
CC(C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)[NH+]1CCSCC1	REAL300029885106	1	53	0.0	-71.10	414.95	4.33	-66.77
C[N@H+]1CC=C(CC(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)CC1	REAL300029885146	0	53	0.0	-70.88	416.40	4.74	-66.14
C[N@@H+]1CC=C(CC(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)CC1	REAL300029885146	1	53	0.0	-69.08	415.91	4.85	-64.23
C[S+](C)CCC(O)C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885161	0	51	0.0	-77.00	418.01	1.86	-75.14
C[N@@H+]1CC(O)CC1(C)C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885180	0	53	0.0	-76.91	392.91	-0.05	-76.96
C[N@H+]1CC(O)CC1(C)C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885180	1	53	0.0	-70.62	398.16	-0.03	-70.65
CN1CC[N@H+](C)CC(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029885193	0	57	0.0	-68.79	423.64	2.19	-66.60
CN1CC[N@@H+](C)CC(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029885193	1	57	0.0	-71.11	428.94	2.06	-69.05
CC(C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)[N@@H+]1CCCC(O)C1	REAL300029885194	0	56	0.0	-67.13	426.34	1.24	-65.89
CC(C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)[N@H+]1CCCC(O)C1	REAL300029885194	1	56	0.0	-67.75	425.98	1.62	-66.13
NC1=[NH+]C=C2CCCC2=C1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885221	0	52	0.0	-68.32	417.62	3.33	-64.99
C[N@@H+]1CCCC(O)(CC(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029885227	0	56	0.0	-70.78	424.94	2.91	-67.87
C[N@H+]1CCCC(O)(CC(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029885227	1	56	0.0	-71.14	414.41	2.81	-68.33
CC1C[NH+](CC(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029885232	1	49	0.0	-71.74	388.89	3.56	-68.18
CC[N@@H+]1CCCC(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029885239	0	55	0.0	-70.57	414.77	4.42	-66.15
CC[N@H+]1CCCC(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029885239	1	55	0.0	-72.08	418.62	4.56	-67.52
NC1=[NH+]C=CC=C1CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885245	0	48	0.0	-67.74	391.49	2.23	-65.51
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3CCC[N@@H+]3C3CC3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029885258	0	53	0.0	-65.67	409.28	4.64	-61.03
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3CCC[N@H+]3C3CC3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029885258	1	53	0.0	-68.34	406.38	4.19	-64.15
O=C(C=CC[NH+]1CCCC1)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885301	0	53	0.0	-73.98	417.41	4.70	-69.28
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3CC[NH+](C4CC4)CC3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029885324	0	56	0.0	-74.27	430.79	5.39	-68.88
CC[N@H+](C)CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885371	0	48	0.0	-69.12	376.31	3.22	-65.90
O=C(CN1CC2C=CC1C2)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885431	0	51	0.0	-67.10	395.64	4.35	-62.75
O=C(C[N@@H+]1CC2C=CC1C2)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885431	1	51	0.0	-66.90	396.18	4.38	-62.52
O=C(C[N@H+]1CC2C=CC1C2)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885431	1	51	0.0	-66.90	396.18	4.38	-62.52
CC1=CC=C(NCCC(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)N=C1	REAL300029885453	0	54	0.0	-67.57	435.70	3.92	-63.65
CC1=CC=C(NCCC(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)[NH+]=C1	REAL300029885453	1	54	0.0	-67.57	435.70	3.92	-63.65
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C34CCC[N@@H+]3CCCC4)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029885559	0	56	0.0	-65.04	404.59	4.43	-60.61
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C34CCC[N@H+]3CCCC4)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029885559	1	56	0.0	-65.04	404.59	4.43	-60.61
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C34CCC[N@@H+]3CC=CC4)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029885568	0	54	0.0	-65.52	397.34	4.04	-61.48
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C34CCC[N@H+]3CC=CC4)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029885568	1	54	0.0	-65.52	397.34	4.04	-61.48
CC(OCC[NH+](C)C)C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885579	0	55	0.0	-72.22	428.66	4.01	-68.21
C[NH+](C)CCOCCC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885589	0	55	0.0	-71.74	434.06	3.22	-68.52
COCCN(C)CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885591	0	52	0.0	-70.16	408.69	2.38	-67.78
COCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885591	1	52	0.0	-71.63	407.63	2.25	-69.38
COCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885591	1	52	0.0	-71.63	407.63	2.25	-69.38
CC(CCC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)[NH+](C)C	REAL300029885597	0	54	0.0	-75.12	410.56	4.15	-70.97
CC[N@H+](CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)C1CC1	REAL300029885624	0	52	0.0	-66.65	404.21	4.58	-62.07
CC1C[N@@H+]2CCN1C(C(=O)N1C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C1)C2	REAL300029885640	0	55	0.0	-79.60	406.76	1.18	-78.42
C[N@@H+]1CC2CC1(C(=O)N1C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C1)C2	REAL300029885665	0	50	0.0	-73.36	384.43	3.65	-69.71
CC1=NC(N)=CC=C1C=CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885675	0	52	0.0	-71.10	421.48	3.04	-68.06
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885675	1	52	0.0	-71.10	421.48	3.04	-68.06
O=C(C[N@@H+]1CC2CCC1C2)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885682	0	53	0.0	-66.31	402.09	4.46	-61.85
O=C(C[N@H+]1CC2CCC1C2)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885682	1	53	0.0	-66.31	402.09	4.46	-61.85
CC(C[NH+](C)C)C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885704	0	51	0.0	-72.70	391.92	3.41	-69.29
CCN1CCC1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885756	0	49	0.0	-68.18	380.19	3.06	-65.12
CC[N@@H+]1CCC1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885756	1	49	0.0	-66.66	381.32	3.15	-63.51
CC[N@H+]1CCC1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885756	1	49	0.0	-66.66	381.32	3.15	-63.51
CC(C)[N@@H+]1CCCC(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029885769	0	58	0.0	-63.77	425.55	5.21	-58.56
CC(C)[N@H+]1CCCC(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029885769	1	58	0.0	-63.77	425.55	5.21	-58.56
CCC(C)(C)[NH2+]C(C)C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885784	0	57	0.0	-66.99	420.83	2.84	-64.15
C#CCN1CCCCC1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885828	0	54	0.0	-67.39	415.78	5.01	-62.38
C#CC[N@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885828	1	54	0.0	-66.96	421.76	5.09	-61.87
C#CC[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885828	1	54	0.0	-66.96	421.76	5.09	-61.87
CNC1=NC(C)=CC=C1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885829	0	51	0.0	-65.44	405.94	3.02	-62.42
CNC1=[NH+]C(C)=CC=C1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885829	1	51	0.0	-65.44	405.94	3.02	-62.42
CCCC(C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)[NH+](C)C	REAL300029885839	0	54	0.0	-67.39	406.69	4.05	-63.34
C[NH+](C)C(C)(C)C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885846	0	51	0.0	-72.12	375.59	3.19	-68.93
CC(CC[NH+](C)C)C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885865	0	54	0.0	-72.62	418.60	4.19	-68.43
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029885936	0	54	0.0	-70.35	411.99	4.90	-65.45
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C34CC(C3)C[N@H+]4C3CC3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029885936	1	54	0.0	-70.11	414.76	4.74	-65.37
C[N@@H+]1CC(C)(C)CC1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885975	0	55	0.0	-69.43	416.34	4.15	-65.28
C[N@H+]1CC(C)(C)CC1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885975	1	55	0.0	-68.85	416.54	4.02	-64.83
C[NH+](C)CCCCCC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885980	0	57	0.0	-73.63	444.22	5.33	-68.30
O=C(CC[NH+]1CCC(O)CC1)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885984	0	56	0.0	-75.76	432.46	1.49	-74.27
CCC[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885988	0	58	0.0	-69.35	428.89	5.06	-64.29
CCC[N@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885988	1	58	0.0	-67.31	437.37	5.37	-61.94
C[NH+]1CCN(CC(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)CC1	REAL300029885998	1	54	0.0	-71.41	415.98	1.98	-69.43
CC1C[N@H+](C)CC(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)O1	REAL300029886100	1	53	0.0	-75.98	403.41	3.33	-72.65
CC1C[N@@H+](C)CC(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)O1	REAL300029886100	1	53	0.0	-82.98	403.63	2.99	-79.99
CCC1CCC[N@H+](CC(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029886133	0	58	0.0	-70.71	438.21	5.51	-65.20
CCC1CCC[N@@H+](CC(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029886133	1	58	0.0	-70.63	438.40	5.54	-65.09
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)N1	REAL300029886142	0	53	0.0	-81.16	419.16	3.81	-77.35
O=C(C[NH+]1CC2CC2C1)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029886157	0	50	0.0	-70.60	391.82	4.23	-66.37
O=C(CC1([NH+]2CCCC2)CC1)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029886170	0	56	0.0	-68.15	422.08	5.26	-62.89
C[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029886209	0	52	0.0	-66.86	397.20	4.04	-62.82
C[N@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029886209	1	52	0.0	-67.63	396.45	3.99	-63.64
C[N@@H+]1CCC(=CC(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029886332	0	50	0.0	-75.27	394.18	3.97	-71.30
C[N@H+]1CCC(=CC(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029886332	1	50	0.0	-75.39	394.46	3.96	-71.43
O=C(CNC1=CC=[NH+]C=C1)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029886337	0	48	0.0	-70.40	394.28	1.82	-68.58
CC[NH+]1CCN(CC(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)CC1	REAL300029886394	0	57	0.0	-70.24	433.72	2.66	-67.58
O=C(C=C1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029886397	0	54	0.0	-67.54	412.82	4.81	-62.73
C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)CCCC1	REAL300029886435	0	55	0.0	-72.84	394.11	3.97	-68.87
C[N@H+](CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)[C@@H]1CCC[C@H]1O	REAL300029886446	0	56	0.0	-67.81	428.33	1.62	-66.19
C[N@@H+](CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)[C@@H]1CCC[C@H]1O	REAL300029886446	1	56	0.0	-68.64	427.63	1.88	-66.76
CCC1C[NH+](CC(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029886452	0	52	0.0	-71.90	410.08	4.27	-67.63
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3([NH+]4CCCC4)CCC3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029886456	0	56	0.0	-68.76	409.76	4.69	-64.07
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029886470	0	49	0.0	-67.19	379.98	3.29	-63.90
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029886470	1	49	0.0	-69.46	376.08	2.89	-66.57
CC[N@@H+]1CCOCC1CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029886501	0	56	0.0	-73.51	421.21	2.76	-70.75
NC1=NC2=CC(C(=O)N3C[C@@H]4C[C@@H](CNC(=O)C5=CC(=O)[N-]O5)[C@@H]4C3)=CC=C2N1	REAL300029886591	0	49	0.0	-72.17	398.31	3.29	-68.88
NC1=[NH+]C2=CC(C(=O)N3C[C@@H]4C[C@@H](CNC(=O)C5=CC(=O)[N-]O5)[C@@H]4C3)=CC=C2N1	REAL300029886591	1	49	0.0	-72.17	398.31	3.29	-68.88
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029886629	0	52	0.0	-73.69	406.35	4.11	-69.58
C[NH+](C)C1CCC(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)CC1	REAL300029886644	0	58	0.0	-75.00	436.53	5.14	-69.86
C[NH+](C)CCC1(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)CC1	REAL300029886645	0	55	0.0	-76.19	427.69	4.82	-71.37
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)CC1	REAL300029886647	0	58	0.0	-65.16	424.85	4.81	-60.35
C[N@@H+]1CC=CCC1CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029886648	0	53	0.0	-75.19	408.41	4.52	-70.67
C[N@H+]1CC=CCC1CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029886648	1	53	0.0	-75.19	408.41	4.52	-70.67
CC1=CC(C=CC(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)=CN=C1N	REAL300029886698	0	52	0.0	-74.12	421.68	3.35	-70.77
CC1=CC(C=CC(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)=C[NH+]=C1N	REAL300029886698	1	52	0.0	-74.12	421.68	3.35	-70.77
C[NH+](C)CCOCC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029886711	0	52	0.0	-72.61	413.74	3.59	-69.02
CCCCC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029886717	0	60	0.0	-74.62	461.82	5.94	-68.68
CCCCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029886717	1	60	0.0	-74.62	461.82	5.94	-68.68
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)O1	REAL300029886729	0	56	0.0	-73.03	433.53	4.26	-68.77
[NH2+]=C1SC=CN1CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029886754	0	45	0.0	-66.99	384.31	2.57	-64.42
C[C@@H](OCC[NH+](C)C)C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029886828	0	55	0.0	-70.84	428.99	4.14	-66.70
O=C(CC[NH+]1CCCCCC1)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029886872	0	58	0.0	-74.19	431.34	5.05	-69.14
O=C(C[NH+]1CCCCC1)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029886876	0	52	0.0	-70.20	398.89	4.28	-65.92
C[N@@H+]1CCCC(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029886878	0	52	0.0	-65.61	390.62	3.96	-61.65
C[N@H+]1CCCC(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029886878	1	52	0.0	-73.11	402.11	3.91	-69.20
O=C(C[NH+]1CCC(CO)CC1)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029886879	0	56	0.0	-73.93	430.26	1.67	-72.26
O=C(C[NH+]1CCCCCC1)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029886882	0	55	0.0	-70.14	408.26	4.47	-65.67
CN1C=C[N+](CC(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)=C1	REAL300029886887	0	47	0.0	-68.20	388.51	5.94	-62.26
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)O1	REAL300029886905	1	52	0.0	-79.55	418.40	4.34	-75.21
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C=N1	REAL300029886911	0	54	0.0	-77.95	426.80	3.64	-74.31
O=C(C[NH+]1CCC(O)CC1)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029886925	1	53	0.0	-74.31	409.67	1.02	-73.29
C[N@H+](CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)C1CC1	REAL300029886930	0	49	0.0	-67.84	386.23	3.89	-63.95
C[N@@H+](CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)C1CC1	REAL300029886930	1	49	0.0	-68.31	386.36	3.89	-64.42
CC(C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)N1CC[NH+](C)CC1	REAL300029886932	1	57	0.0	-71.40	426.52	2.13	-69.27
O=C(CC[N@H+]1CCC(F)C1)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029886935	0	52	0.0	-77.38	411.30	4.19	-73.19
O=C(CC[N@@H+]1CCC(F)C1)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029886935	1	52	0.0	-77.56	411.65	4.31	-73.25
COC1C[N@H+](C)C(C)(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029886946	0	56	0.0	-65.16	420.64	2.45	-62.71
COC1C[N@@H+](C)C(C)(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029886946	1	56	0.0	-67.96	418.25	2.09	-65.87
CC(CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)C[NH+](C)C	REAL300029886966	0	54	0.0	-71.71	415.76	4.58	-67.13
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3CC[N@@H+]4CCOCC34)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029886982	0	54	0.0	-68.02	410.92	2.76	-65.26
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3CC[N@H+]4CCOCC34)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029886982	1	54	0.0	-68.48	409.89	2.64	-65.84
CC1=[NH+]C=C2C=CC(C(=O)N3C[C@@H]4C[C@@H](CNC(=O)C5=CC(=O)[N-]O5)[C@@H]4C3)=CN21	REAL300029886987	0	50	0.0	-68.97	413.58	5.57	-63.40
C[N@@H+]1CCOCC1CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029887004	1	53	0.0	-66.95	399.94	2.19	-64.76
C[N@H+]1CCOCC1CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029887004	1	53	0.0	-77.30	407.78	2.35	-74.95
CC[NH+]1CCN(CC(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)CC1	REAL300029887012	0	57	0.0	-70.24	433.72	2.66	-67.58
CC1=CC(N)=[NH+]C=C1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029887067	1	48	0.0	-71.77	385.64	1.65	-70.12
NC1=CC=C(CCC(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C=[NH+]1	REAL300029887070	0	51	0.0	-70.61	416.37	2.90	-67.71
CC1(O)CC[N@H+](CC(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029887111	0	53	0.0	-69.89	413.41	0.81	-69.08
CC1(O)CC[N@@H+](CC(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029887111	1	53	0.0	-70.63	413.73	0.81	-69.82
C[NH+]1CC(CC(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029887146	0	49	0.0	-72.69	388.38	3.17	-69.52
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3CC[N@@H+]3C3CCCC3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029887151	0	56	0.0	-70.55	428.90	5.39	-65.16
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3CC[N@H+]3C3CCCC3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029887151	1	56	0.0	-68.63	421.30	4.88	-63.75
C[NH+](C)CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029887159	0	45	0.0	-72.02	357.87	2.46	-69.56
C[N@H+](CCO)CCC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029887188	0	52	0.0	-72.76	407.68	0.43	-72.33
C[N@@H+](CCO)CCC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029887188	1	52	0.0	-72.32	407.76	0.42	-71.90
C[C@@H](C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)[NH+](C)C	REAL300029887189	0	48	0.0	-69.08	373.82	2.72	-66.36
C[N@@H+]1CCCCC1CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029887211	0	55	0.0	-74.01	416.71	4.64	-69.37
C[N@H+]1CCCCC1CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029887211	1	55	0.0	-64.31	409.92	4.64	-59.67
CC1=C2C=C(C(=O)N3C[C@@H]4C[C@@H](CNC(=O)C5=CC(=O)[N-]O5)[C@@H]4C3)C=CN2C=[NH+]1	REAL300029887233	1	50	0.0	-73.60	414.05	6.37	-67.23
CC(C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)[NH+]1CC(C)C1	REAL300029887234	0	52	0.0	-68.08	401.10	3.86	-64.22
CC1CC[N@@H+]1CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029887238	1	49	0.0	-69.74	388.09	3.58	-66.16
CC1CC[N@H+]1CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029887238	1	49	0.0	-69.36	383.37	3.25	-66.11
C[NH+](C)CC=CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029887252	0	49	0.0	-75.39	392.29	3.61	-71.78
CC1(C)C[NH+](CC(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C1	REAL300029887265	1	52	0.0	-71.84	408.09	4.08	-67.76
CC1=C(C)[NH+]=C(CCC(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)N1	REAL300029887284	1	53	0.0	-66.86	427.47	3.70	-63.16
CC1=C2C=C(C(=O)N3C[C@@H]4C[C@@H](CNC(=O)C5=CC(=O)[N-]O5)[C@@H]4C3)C=CN2C=[NH+]1	REAL300029887295	1	50	0.0	-73.60	414.05	6.37	-67.23
C[NH+](C)CCSCC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029887305	0	52	0.0	-77.84	424.77	4.43	-73.41
O=C(C[N@H+]1CCCC1CO)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029887331	0	53	0.0	-69.69	406.81	0.49	-69.20
O=C(C[N@@H+]1CCCC1CO)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029887331	1	53	0.0	-69.85	409.69	1.04	-68.81
CC[NH+](CC)CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029887335	0	51	0.0	-69.05	388.66	3.47	-65.58
C[N@H+](CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)C1CCSC1	REAL300029887346	0	53	0.0	-76.00	417.67	4.80	-71.20
C[N@@H+](CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)C1CCSC1	REAL300029887346	1	53	0.0	-74.80	418.97	4.79	-70.01
O=C(C[NH+]1CCC1)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029887348	1	46	0.0	-71.03	367.43	2.89	-68.14
CC[NH+](CC)CCC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029887399	0	54	0.0	-71.80	415.18	4.35	-67.45
C[NH+](C)CC1=CNC(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)=C1	REAL300029887466	0	53	0.0	-76.32	419.03	4.01	-72.31
CC(C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)[NH+]1CCC(O)CC1	REAL300029887485	0	56	0.0	-72.47	426.64	1.29	-71.18
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3CC4COCC[N@@H+]4C3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029887491	0	54	0.0	-73.30	412.33	2.59	-70.71
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3CC4COCC[N@H+]4C3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029887491	1	54	0.0	-73.34	411.43	2.68	-70.66
CC(C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)[NH+]1CCC1	REAL300029887506	1	49	0.0	-69.92	377.58	3.11	-66.81
CCC(CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)C[NH+](C)C	REAL300029887513	0	57	0.0	-71.82	429.62	5.27	-66.55
NC1=CC=C(C=CC(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C=[NH+]1	REAL300029887520	0	49	0.0	-73.63	403.95	2.61	-71.02
C[NH+](C)CC(C)(C)C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029887521	0	54	0.0	-71.43	394.73	3.52	-67.91
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029887585	0	52	0.0	-70.82	389.55	3.63	-67.19
C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029887585	1	52	0.0	-68.00	397.68	3.96	-64.04
CC1CN2CC[N@@H+]1CC2C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029887600	0	55	0.0	-77.80	405.33	1.11	-76.69
CC1CN2CC[N@H+]1CC2C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029887600	1	55	0.0	-76.35	407.57	1.11	-75.24
C[NH+](C)CC(O)CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029887621	0	52	0.0	-75.46	411.28	1.59	-73.87
C[NH+]1C2CCC1CC(C(=O)N1C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C1)C2	REAL300029887624	0	56	0.0	-67.61	390.85	4.29	-63.32
C=CCC(C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1)[NH+](C)C	REAL300029887657	0	52	0.0	-70.01	400.84	3.93	-66.08
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3CC4CCCC[N@@H+]4C3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029887667	0	56	0.0	-70.09	421.17	4.97	-65.12
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3CC4CCCC[N@H+]4C3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029887667	1	56	0.0	-74.21	421.36	5.01	-69.20
C[NH+]1CCC(C)(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)CC1	REAL300029887678	0	55	0.0	-71.98	406.02	4.00	-67.98
C[NH+]1CCC(O)(CC(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)CC1	REAL300029887680	0	56	0.0	-73.67	427.73	2.73	-70.94
CC1=C2C=C(C(=O)NC[C@@H]3C[C@H]4CN(C(=O)C5=CC(=O)[N-]O5)C[C@@H]34)C=CN2C=[NH+]1	REAL300029887762	1	50	0.0	-73.12	406.69	6.37	-66.75
C[NH+](C)CCSCC(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029887771	0	52	0.0	-77.97	420.97	4.29	-73.68
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1CC2COCC[N@@H+]2C1	REAL300029887779	0	54	0.0	-72.41	413.27	2.61	-69.80
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1CC2COCC[N@H+]2C1	REAL300029887779	1	54	0.0	-75.72	412.93	2.62	-73.10
C[N@@H+]1CCCC1C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029887942	0	49	0.0	-65.74	379.62	3.89	-61.85
C[N@H+]1CCCC1C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029887942	1	49	0.0	-70.17	382.21	3.51	-66.66
C[N@@H+]1CCOC(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029887966	1	50	0.0	-67.61	384.79	2.90	-64.71
C[N@H+]1CCOC(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029887966	1	50	0.0	-72.88	384.77	2.92	-69.96
CC(C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCCC1	REAL300029888131	0	58	0.0	-70.19	425.11	4.93	-65.26
CC(C)[N@@H+]1CCCC1C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029888150	0	55	0.0	-71.72	402.72	4.41	-67.31
CC(C)[N@H+]1CCCC1C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029888150	1	55	0.0	-68.75	414.90	4.59	-64.16
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@@H+]2C1	REAL300029888164	0	56	0.0	-71.71	423.86	5.15	-66.56
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@H+]2C1	REAL300029888164	1	56	0.0	-74.91	423.62	5.22	-69.69
CC(C)C1=[NH+]C=CN1CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029888184	1	53	0.0	-58.38	421.08	5.39	-52.99
CC1=[NH+]C=CN1CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029888214	1	47	0.0	-57.91	384.76	4.28	-53.63
CC(C[NH+]1CCOCC1)C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029888216	0	56	0.0	-58.85	425.18	3.74	-55.11
O=C(CCC[NH+]1CCCCC1)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029888230	0	58	0.0	-73.71	441.16	5.66	-68.05
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1C[NH+]2CCC1CC2	REAL300029888256	0	53	0.0	-79.45	395.73	4.44	-75.01
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCC2CCC[N@@H+]21	REAL300029888297	0	56	0.0	-61.64	419.55	5.78	-55.86
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCC2CCC[N@H+]21	REAL300029888297	1	56	0.0	-63.14	419.91	5.80	-57.34
C[C@@H]1[C@H](C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029888311	0	52	0.0	-68.61	392.10	3.82	-64.79
C[C@@H]1[C@H](C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029888311	1	52	0.0	-49.84	396.32	3.85	-45.99
CC[C@@H]1[C@@H](C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029888315	0	55	0.0	-74.73	413.49	4.17	-70.56
CC[C@@H]1[C@@H](C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029888315	1	55	0.0	-65.75	415.58	4.83	-60.92
CC[N@@H+]1CCOC(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029888327	1	53	0.0	-66.50	402.52	3.56	-62.94
CC[N@H+]1CCOC(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029888327	1	53	0.0	-71.58	402.59	3.57	-68.01
CC[NH+](CC)CC(F)C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029888363	0	54	0.0	-74.41	413.24	4.08	-70.33
CC1CCC(C)[NH+]1CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029888424	0	55	0.0	-62.11	411.44	4.87	-57.24
O=C(CCC[NH+]1CCCC1)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029888430	0	55	0.0	-73.36	425.20	4.93	-68.43
C[NH+](C)CC1=CC=CC(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029888431	0	55	0.0	-71.58	433.43	6.14	-65.44
C#CC[NH+]1CCC(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029888435	0	54	0.0	-77.44	425.37	5.28	-72.16
O=C(CC[NH+]1CCCCC1)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029888436	0	55	0.0	-74.15	420.12	4.88	-69.27
CC(C)C[N@@H+]1CCC(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029888458	0	58	0.0	-68.08	439.38	5.58	-62.50
CC(C)C[N@H+]1CCC(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029888458	1	58	0.0	-73.76	441.07	5.43	-68.33
CC(C)[N@@H+]1CCCC1CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029888463	0	58	0.0	-61.48	426.10	4.75	-56.73
CC(C)[N@H+]1CCCC1CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029888463	1	58	0.0	-66.49	426.69	4.59	-61.90
C[N@H+](CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300029888515	0	52	0.0	-63.18	400.94	5.03	-58.15
C[N@@H+](CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300029888515	1	52	0.0	-60.56	401.57	4.66	-55.90
CC(C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1C(C)CCC1C	REAL300029888564	0	58	0.0	-67.61	428.55	4.85	-62.76
CN(CCC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=[NH+]C=C1	REAL300029888613	0	54	0.0	-71.26	430.59	4.12	-67.14
C[N@@H+]1CCCC1CCC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029888626	0	55	0.0	-76.17	423.56	4.95	-71.22
C[N@H+]1CCCC1CCC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029888626	1	55	0.0	-67.58	416.43	4.68	-62.90
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC2CCCC[N@@H+]21	REAL300029888640	0	56	0.0	-45.58	414.98	5.25	-40.33
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC2CCCC[N@H+]21	REAL300029888640	1	56	0.0	-70.33	417.55	4.90	-65.43
O=C(CCCC[NH+]1CCCC1)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029888658	0	58	0.0	-73.57	447.44	5.78	-67.79
C[N@H+](CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300029888660	1	55	0.0	-78.87	433.55	6.15	-72.72
C[N@@H+](CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300029888660	1	55	0.0	-78.65	432.82	6.07	-72.58
C[NH+]1CCC(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029888671	0	52	0.0	-77.68	399.40	4.71	-72.97
C[NH+](C)CC1=CC(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)=NO1	REAL300029888700	1	51	0.0	-79.04	414.19	3.43	-75.61
CC1=C(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C=CC2=C[NH+]=CN21	REAL300029888701	0	50	0.0	-74.11	406.54	6.37	-67.74
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN2C=[NH+]C=C2C=C1	REAL300029888833	0	47	0.0	-66.55	385.50	6.17	-60.38
CC1=[NH+]C=CN1CCCC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029888842	1	53	0.0	-67.52	425.81	5.96	-61.56
C[NH+](C)CC1=CC=C(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C=C1	REAL300029888847	0	55	0.0	-79.50	434.30	5.96	-73.54
O=C(CC[NH+]1CCOCC1)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029888848	1	53	0.0	-66.61	410.61	2.67	-63.94
CC1=C[NH+]=CN1CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029888873	1	47	0.0	-73.32	384.81	4.79	-68.53
O=C(CN1C=[NH+]C2=C1CCCC2)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029888879	1	54	0.0	-59.49	426.43	7.14	-52.35
C[NH+](C)C1CCCC(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029888932	0	58	0.0	-68.49	428.42	5.15	-63.34
C[N@@H+]1CCC(CC(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029888935	0	52	0.0	-74.30	402.91	4.02	-70.28
C[N@H+]1CCC(CC(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029888935	1	52	0.0	-73.82	400.85	4.23	-69.59
CCC(C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029888950	0	51	0.0	-71.14	386.35	3.49	-67.65
C[NH+](C)C1(CC(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300029888963	0	58	0.0	-75.65	420.53	4.95	-70.70
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC2=C[NH+]=CN2C=C1	REAL300029888996	1	47	0.0	-70.70	385.77	6.17	-64.53
C[NH+](C)CCCCC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029889044	0	54	0.0	-74.87	421.48	4.60	-70.27
CCC[N@H+](C)CCC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029889062	0	54	0.0	-64.61	416.93	4.62	-59.99
CCC[N@@H+](C)CCC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029889062	1	54	0.0	-64.05	416.93	4.62	-59.43
CCC[N@H+](C)CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029889066	0	51	0.0	-74.04	395.34	3.86	-70.18
CCC[N@@H+](C)CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029889066	1	51	0.0	-64.64	393.82	4.41	-60.23
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CC[N@H+](C1)CCC2	REAL300029889084	0	53	0.0	-68.40	396.44	3.84	-64.56
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CC[N@@H+](C1)CCC2	REAL300029889084	1	53	0.0	-54.19	394.17	3.86	-50.33
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029889119	0	49	0.0	-68.06	374.57	3.20	-64.86
C[N@H+]1CCC[C@@H]1C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029889119	1	49	0.0	-65.68	380.35	3.66	-62.02
CCCCCC[N@H+](C)CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029889169	0	60	0.0	-75.29	459.84	6.21	-69.08
CCCCCC[N@@H+](C)CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029889169	1	60	0.0	-65.64	458.32	6.75	-58.89
CC[NH+](CC)CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029889181	0	51	0.0	-60.67	386.93	3.74	-56.93
CCC[N@@H+]1CCCC(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029889207	0	58	0.0	-67.21	433.59	5.70	-61.51
CCC[N@H+]1CCCC(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029889207	1	58	0.0	-67.07	438.30	5.67	-61.40
CC(C)[N@@H+]1CCOC(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029889220	1	56	0.0	-75.83	420.95	3.91	-71.92
CC(C)[N@H+]1CCOC(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029889220	1	56	0.0	-69.60	419.40	4.06	-65.54
CC1CC[NH+](CC(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029889250	0	55	0.0	-74.41	418.70	4.95	-69.46
C[NH+]1CCC(OCC(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029889272	0	56	0.0	-80.89	434.80	5.14	-75.75
C[NH+](C)CC1(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029889285	0	52	0.0	-71.07	401.57	4.86	-66.21
CC1=[NH+]C=C2CCC(C(=O)NC3CCCC34CN(C(=O)C3=CC(=O)[N-]O3)C4)CN21	REAL300029889286	1	54	0.0	-67.87	424.51	5.30	-62.57
CC(C)[NH+]1CCC(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029889350	0	58	0.0	-73.66	431.36	5.09	-68.57
C[NH+]1CCC(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029889367	0	52	0.0	-77.68	399.40	4.71	-72.97
CCC(C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](CC)CC	REAL300029889397	0	57	0.0	-54.88	421.50	4.97	-49.91
CC[N@H+](C)CCC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029889454	0	51	0.0	-64.03	395.43	3.88	-60.15
CC[N@@H+](C)CCC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029889454	1	51	0.0	-68.53	394.94	4.26	-64.27
CC1CCC[N@@H+]1CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029889499	0	52	0.0	-70.61	394.77	3.84	-66.77
CC1CCC[N@H+]1CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029889499	1	52	0.0	-65.33	393.24	4.01	-61.32
CC1CC[N@H+](CC(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029889501	0	52	0.0	-73.32	402.89	4.15	-69.17
CC1CC[N@@H+](CC(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029889501	1	52	0.0	-51.86	400.66	4.67	-47.19
CC1=[NH+]C=C2CC(C(=O)NC3CCCC34CN(C(=O)C3=CC(=O)[N-]O3)C4)CCN21	REAL300029889502	1	54	0.0	-70.19	425.36	5.20	-64.99
CC1(C)CC[N@H+](CC(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029889505	0	55	0.0	-49.95	420.42	5.18	-44.77
CC1(C)CC[N@@H+](CC(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029889505	1	55	0.0	-63.36	419.98	5.18	-58.18
C[N@H+](CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300029889506	0	57	0.0	-65.75	423.11	5.43	-60.32
C[N@@H+](CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300029889506	1	57	0.0	-73.79	426.24	5.05	-68.74
CC[C@@H](C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029889513	0	51	0.0	-66.09	388.12	3.79	-62.30
C[NH+]1CCC(O)(CC(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029889668	0	56	0.0	-70.73	425.04	2.95	-67.78
C[NH+](C)CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029889678	0	45	0.0	-62.03	355.34	2.66	-59.37
O=C(C[NH+]1CCC(CO)CC1)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029889681	1	56	0.0	-75.70	429.53	1.65	-74.05
O=C(C[NH+]1CCCCCC1)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029889683	0	55	0.0	-73.27	407.08	4.50	-68.77
CN1C=C[N+](CC(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029889687	0	47	0.0	-64.07	386.07	6.57	-57.50
C[N@@H+]1CCCC(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029889693	0	52	0.0	-72.51	399.11	4.25	-68.26
C[N@H+]1CCCC(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029889693	1	52	0.0	-63.46	392.86	4.47	-58.99
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@@H+]1C1CC1	REAL300029889697	0	53	0.0	-74.19	404.44	4.25	-69.94
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@H+]1C1CC1	REAL300029889697	1	53	0.0	-64.80	401.64	4.36	-60.44
CC(C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300029889721	1	49	0.0	-65.55	382.69	3.71	-61.84
CCC(CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300029889727	0	57	0.0	-68.32	431.35	5.07	-63.25
O=C(C[NH+]1CCC(O)CC1)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029889756	1	53	0.0	-77.93	408.92	0.99	-76.94
C[N@H+](CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029889757	0	49	0.0	-70.93	385.38	3.88	-67.05
C[N@@H+](CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029889757	1	49	0.0	-62.01	383.99	4.40	-57.61
CC(C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)N1CC[NH+](C)CC1	REAL300029889758	1	57	0.0	-67.89	425.45	2.42	-65.47
C[NH+]1CC(CC(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029889774	0	49	0.0	-73.53	387.56	3.29	-70.24
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@@H+]1C1CCCC1	REAL300029889778	0	56	0.0	-72.28	424.50	5.19	-67.09
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@H+]1C1CCCC1	REAL300029889778	1	56	0.0	-67.30	419.10	5.09	-62.21
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029889785	0	55	0.0	-44.83	414.94	4.50	-40.33
CC(C)(C)[N@H+]1CCC1C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029889785	1	55	0.0	-70.34	418.20	4.24	-66.10
C[C@@H](C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029889796	0	48	0.0	-72.55	374.28	2.87	-69.68
CCC1CCC[N@H+](CC(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029889831	0	58	0.0	-68.39	435.46	5.74	-62.65
CCC1CCC[N@@H+](CC(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029889831	1	58	0.0	-74.28	437.79	5.53	-68.75
C[NH+](C)CC1=CC=C(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300029889838	0	53	0.0	-82.37	423.73	3.71	-78.66
[NH2+]=C1SC=CN1CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029889875	0	45	0.0	-69.35	383.18	2.63	-66.72
C[N@H+](CCO)CCC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029889883	0	52	0.0	-62.51	405.78	0.67	-61.84
C[N@@H+](CCO)CCC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029889883	1	52	0.0	-64.71	405.76	0.65	-64.06
C[C@@H](C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029889884	0	48	0.0	-72.55	374.28	2.87	-69.68
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029889888	0	52	0.0	-70.85	388.79	3.90	-66.95
C[N@H+]1CCCC[C@@H]1C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029889888	1	52	0.0	-66.01	396.46	4.24	-61.77
CC1CN2CC[N@@H+]1CC2C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029889895	0	55	0.0	-75.16	408.18	1.92	-73.24
CC1CN2CC[N@H+]1CC2C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029889895	1	55	0.0	-68.09	405.83	1.52	-66.57
O=C(CC1=CC2=C[NH+]=CN2C=C1)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029889938	0	50	0.0	-65.98	409.74	6.84	-59.14
C[N@H+](CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300029889960	0	53	0.0	-79.55	415.46	4.71	-74.84
C[N@@H+](CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300029889960	1	53	0.0	-68.50	414.67	4.89	-63.61
C[NH+](C)CC1=CC(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC=N1	REAL300029889986	1	54	0.0	-70.82	429.01	4.71	-66.11
C[N@@H+]1CCC(=CC(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029889987	0	50	0.0	-72.49	393.83	4.48	-68.01
C[N@H+]1CCC(=CC(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029889987	1	50	0.0	-71.59	393.37	4.19	-67.40
C[NH+](C)CCOCC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890015	0	52	0.0	-62.72	411.22	3.72	-59.00
CCCCC[N@H+](C)CCC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890021	0	60	0.0	-76.46	460.70	5.98	-70.48
CCCCC[N@@H+](C)CCC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890021	1	60	0.0	-64.90	459.93	6.18	-58.72
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029890029	0	56	0.0	-73.20	434.75	4.44	-68.76
C=CCC(C)(C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029890036	0	55	0.0	-80.41	409.15	5.34	-75.07
C[S+](C)CCC(O)C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890041	0	51	0.0	-79.04	420.96	2.12	-76.92
CN1CC[N@H+](C)CC(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029890074	0	57	0.0	-72.92	425.20	2.06	-70.86
CN1CC[N@@H+](C)CC(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029890074	1	57	0.0	-72.92	425.20	2.06	-70.86
CC(C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)N1CCCC(O)C1	REAL300029890075	0	56	0.0	-53.68	423.03	1.52	-52.16
CC(C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[N@@H+]1CCCC(O)C1	REAL300029890075	1	56	0.0	-64.97	423.50	1.75	-63.22
CC(C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[N@H+]1CCCC(O)C1	REAL300029890075	1	56	0.0	-64.97	423.50	1.75	-63.22
O=C(CN1CCC(CO)CC1)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890085	0	56	0.0	-75.70	429.53	1.65	-74.05
O=C(C[NH+]1CCC(CO)CC1)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890085	1	56	0.0	-75.70	429.53	1.65	-74.05
C[N@@H+]1CCCC(O)(CC(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029890094	0	56	0.0	-68.01	412.26	2.86	-65.15
C[N@H+]1CCCC(O)(CC(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029890094	1	56	0.0	-68.01	412.26	2.86	-65.15
CC1CN(CC(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029890097	0	49	0.0	-73.88	387.08	3.55	-70.33
CC1C[NH+](CC(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029890097	1	49	0.0	-73.88	387.08	3.55	-70.33
CN(CCO)CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890122	0	49	0.0	-64.64	382.67	0.42	-64.22
C[N@H+](CCO)CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890122	1	49	0.0	-73.98	383.97	-0.11	-74.09
C[N@@H+](CCO)CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890122	1	49	0.0	-73.98	383.97	-0.11	-74.09
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1C[N@@H+]2CCN1CCC2	REAL300029890142	0	55	0.0	-69.39	402.61	1.94	-67.45
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1C[N@H+]2CCN1CCC2	REAL300029890142	1	55	0.0	-69.39	402.61	1.94	-67.45
CC[N@@H+]1CCCC(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029890146	0	55	0.0	-62.85	410.52	5.12	-57.73
CC[N@H+]1CCCC(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029890146	1	55	0.0	-62.85	410.52	5.12	-57.73
CC(CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300029890148	0	54	0.0	-62.40	412.48	4.64	-57.76
CC[N@H+](C)CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890160	0	48	0.0	-64.57	372.32	3.66	-60.91
CC[N@H+](CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300029890207	0	52	0.0	-71.12	402.48	4.44	-66.68
CC[NH+](CC)CCC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890222	0	54	0.0	-74.06	409.72	4.11	-69.95
CC1(O)CC[N@H+](CC(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029890268	0	53	0.0	-68.30	411.05	1.05	-67.25
C[NH+](C)CC=CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890274	0	49	0.0	-71.86	392.06	4.33	-67.53
CC(OCC[NH+](C)C)C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890291	0	55	0.0	-72.80	430.96	4.26	-68.54
C[NH+](C)CCOCCC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890300	0	55	0.0	-73.22	432.94	3.26	-69.96
COCCN(C)CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890301	0	52	0.0	-73.68	406.22	2.30	-71.38
COCC[N@H+](C)CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890301	1	52	0.0	-64.92	404.92	2.82	-62.10
COCC[N@@H+](C)CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890301	1	52	0.0	-64.92	404.92	2.82	-62.10
CC(CCC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029890334	0	54	0.0	-75.56	409.46	4.20	-71.36
CCN1CCC1C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890343	0	49	0.0	-58.29	377.01	3.54	-54.75
CC[N@@H+]1CCC1C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890343	1	49	0.0	-71.64	380.88	3.19	-68.45
CC[N@H+]1CCC1C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890343	1	49	0.0	-71.64	380.88	3.19	-68.45
CC(C)[N@@H+]1CCCC(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029890352	0	58	0.0	-65.37	433.42	5.41	-59.96
CC(C)[N@H+]1CCCC(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029890352	1	58	0.0	-65.37	433.42	5.41	-59.96
O=C(C[N@H+]1CCCC1CO)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890364	0	53	0.0	-65.39	400.35	1.17	-64.22
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@@H+]2C1	REAL300029890383	0	56	0.0	-74.91	423.62	5.22	-69.69
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@H+]2C1	REAL300029890383	1	56	0.0	-74.91	423.62	5.22	-69.69
CC(C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)N1CCC(O)CC1	REAL300029890402	0	56	0.0	-75.58	427.01	1.37	-74.21
CC(C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC(O)CC1	REAL300029890402	1	56	0.0	-75.58	427.01	1.37	-74.21
C=CCC(C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029890410	0	52	0.0	-56.98	401.95	4.34	-52.64
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890417	0	55	0.0	-73.10	416.16	4.19	-68.91
C[NH+](C)CCCCCC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890421	0	57	0.0	-74.10	442.98	5.39	-68.71
CC1C[N@@H+]2CCN1C(C(=O)NC1CCCC13CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029890455	0	55	0.0	-56.01	408.34	1.70	-54.31
CCCC(C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029890456	0	54	0.0	-57.35	409.44	4.58	-52.77
C[N@@H+]1CCCCC1C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890494	0	52	0.0	-65.72	387.17	4.04	-61.68
C[N@H+]1CC=C(CC(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029890530	0	53	0.0	-70.55	415.25	4.79	-65.76
C[N@@H+]1CC=C(CC(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029890530	1	53	0.0	-70.55	415.25	4.79	-65.76
O=C(CC1([NH+]2CCCC2)CC1)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890537	0	56	0.0	-70.07	421.22	5.19	-64.88
CN(C)CC1=CC=C(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029890580	0	52	0.0	-77.79	420.66	4.29	-73.50
C[NH+](C)CC1=CC=C(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029890580	1	52	0.0	-77.79	420.66	4.29	-73.50
O=C(C=CC[NH+]1CCCC1)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890595	0	53	0.0	-75.85	418.42	4.89	-70.96
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[NH+](C2CC2)CC1	REAL300029890616	0	56	0.0	-61.86	424.76	5.48	-56.38
O=C(CC[NH+]1CCCC1)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890632	0	52	0.0	-74.60	402.84	4.09	-70.51
O=C(C[N@@H+]1CC2CCC1C2)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890684	0	53	0.0	-71.20	401.02	4.73	-66.47
O=C(C=C1C[NH+]2CCC1CC2)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890721	0	54	0.0	-58.62	411.32	5.48	-53.14
CC(C[NH+](C)C)C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890768	0	51	0.0	-65.51	393.74	3.93	-61.58
C[N@@H+]1CCCCC1CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890836	0	55	0.0	-68.26	408.55	4.47	-63.79
C[N@H+]1CCCCC1CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890836	1	55	0.0	-68.26	408.55	4.47	-63.79
CC1=C2C=C(C(=O)NC3CCCC34CN(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300029890849	1	50	0.0	-75.64	409.25	6.62	-69.02
CC(C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CC(C)C1	REAL300029890850	1	52	0.0	-65.36	402.46	4.36	-61.00
CC1CC[N@@H+]1CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890853	1	49	0.0	-67.29	385.83	3.73	-63.56
CC1CC[N@H+]1CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890853	1	49	0.0	-71.99	385.85	3.71	-68.28
C[NH+](C)CC(O)CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890857	0	52	0.0	-68.44	407.93	1.68	-66.76
CC1C[N@H+](C)CC(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029890880	1	53	0.0	-83.39	407.99	3.64	-79.75
CC1C[N@@H+](C)CC(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300029890880	1	53	0.0	-81.40	407.94	3.64	-77.76
O=C(CC[NH+]1CCC(O)CC1)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890889	0	56	0.0	-77.84	431.21	1.54	-76.30
CCC[N@@H+]1CCCCC1C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890891	0	58	0.0	-70.22	427.96	5.29	-64.93
CCC[N@H+]1CCCCC1C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890891	1	58	0.0	-66.35	435.67	6.01	-60.34
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029890962	0	52	0.0	-69.68	404.11	4.34	-65.34
CC(CC[NH+](C)C)C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890970	0	54	0.0	-67.20	415.37	4.55	-62.65
C[N@H+](CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300029890987	0	56	0.0	-66.80	425.53	1.85	-64.95
C[N@@H+](CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300029890987	1	56	0.0	-67.87	425.50	1.84	-66.03
C[NH+]1CCN(CC(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029890997	1	54	0.0	-73.79	415.52	1.98	-71.81
CC[NH+]1CCN(CC(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029891006	0	57	0.0	-67.51	431.25	2.81	-64.70
NC(=[NH2+])SCC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029891028	0	43	0.0	-63.77	363.87	-0.46	-64.23
CC[N@@H+]1CCOCC1CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029891061	0	56	0.0	-70.38	422.71	3.10	-67.28
C[NH+](C)C1CCC(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029891075	0	58	0.0	-80.50	433.67	5.92	-74.58
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029891077	0	58	0.0	-71.80	429.12	5.10	-66.70
C[N@@H+]1CC=CCC1CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029891078	0	53	0.0	-64.53	400.70	4.63	-59.90
C[N@H+]1CC=CCC1CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029891078	1	53	0.0	-64.53	400.70	4.63	-59.90
C[C@@H](OCC[NH+](C)C)C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029891099	0	55	0.0	-70.19	431.77	4.22	-65.97
C[NH+]1C2CCC1CC(C(=O)NC1CCCC13CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300029891121	0	56	0.0	-70.22	396.21	4.87	-65.35
CC(C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCSCC1	REAL300029891210	1	53	0.0	-67.69	413.44	4.98	-62.71
C[N@H+]1CCC[C@H]1C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029891219	1	49	0.0	-66.13	374.51	3.17	-62.96
O=C(CC[N@@H+]1CCC(F)C1)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029891226	1	52	0.0	-54.89	409.59	4.76	-50.13
O=C(CC[NH+]1CCCCCC1)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029891242	0	58	0.0	-76.26	430.14	5.08	-71.18
O=C(C[NH+]1CCCCC1)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029891244	0	52	0.0	-65.92	396.31	4.86	-61.06
CC1C(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029891252	0	52	0.0	-71.32	402.17	4.01	-67.31
CC1C(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029891252	1	52	0.0	-69.78	400.83	4.52	-65.26
C[N@@H+]1CCCCC1CCC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029891254	0	58	0.0	-75.38	430.04	5.20	-70.18
C[N@H+]1CCCCC1CCC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029891254	1	58	0.0	-68.24	428.48	5.37	-62.87
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@@H+]2CCOCC12	REAL300029891278	0	54	0.0	-57.07	409.43	3.12	-53.95
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@H+]2CCOCC12	REAL300029891278	1	54	0.0	-66.59	409.63	2.94	-63.65
CC1=[NH+]C=C2C=CC(C(=O)NC3CCCC34CN(C(=O)C3=CC(=O)[N-]O3)C4)=CN21	REAL300029891283	0	50	0.0	-70.12	408.46	5.83	-64.29
CN1CCOCC1CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029891300	0	53	0.0	-62.48	398.41	2.62	-59.86
C[N@@H+]1CCOCC1CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029891300	1	53	0.0	-64.05	398.53	2.33	-61.72
C[N@H+]1CCOCC1CC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029891300	1	53	0.0	-62.48	398.41	2.62	-59.86
CC1=C(C)[NH+]=C(CCC(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300029891308	1	53	0.0	-68.65	426.35	3.75	-64.90
C[N@H+]1CCCC1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029891476	1	49	0.0	-67.24	375.50	3.25	-63.99
CN1CCOC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029891502	0	50	0.0	-59.96	380.73	2.97	-56.99
C[N@@H+]1CCOC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029891502	1	50	0.0	-74.78	382.27	2.88	-71.90
C[N@H+]1CCOC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029891502	1	50	0.0	-59.96	380.73	2.97	-56.99
CC1=[NH+]C=CN1CCCC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029891664	1	53	0.0	-70.88	429.07	5.48	-65.40
C[NH+](C)CC1=CC=C(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300029891669	0	55	0.0	-74.22	430.42	5.79	-68.43
O=C(CC[NH+]1CCOCC1)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029891670	1	53	0.0	-70.71	411.78	2.77	-67.94
O=C(NC1CCCC12CN(C(=O)C13CCC[NH+]1CCC3)C2)C1=CC(=O)[N-]O1	REAL300029891695	0	53	0.0	-67.30	397.90	4.13	-63.17
O=C(NC1CCCC12CN(C(=O)C1=CC3=C[NH+]=CN3C=C1)C2)C1=CC(=O)[N-]O1	REAL300029891705	1	47	0.0	-79.59	384.12	5.65	-73.94
C[NH+](C)C1CCCC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029891765	0	58	0.0	-75.24	435.81	5.46	-69.78
C[N@@H+]1CCC(CC(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029891768	0	52	0.0	-71.12	403.82	4.63	-66.49
C[N@H+]1CCC(CC(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029891768	1	52	0.0	-69.70	403.20	4.36	-65.34
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029891780	0	51	0.0	-79.61	407.67	2.75	-76.86
CCC(C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029891785	0	51	0.0	-70.22	389.45	3.66	-66.56
C[NH+](C)CCCCC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029891852	0	54	0.0	-70.00	421.88	4.90	-65.10
CC(C)C(C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029891874	0	54	0.0	-71.24	403.06	4.20	-67.04
CCC[N@H+](C)CCC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029891876	0	54	0.0	-75.54	419.70	4.54	-71.00
CCC[N@@H+](C)CCC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029891876	1	54	0.0	-75.40	419.69	4.56	-70.84
CCC[N@H+](C)CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029891882	0	51	0.0	-66.00	395.74	4.17	-61.83
CCC[N@@H+](C)CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029891882	1	51	0.0	-71.96	397.94	3.95	-68.01
O=C(NC1CCCC12CN(C(=O)C13CC[N@H+](C1)CCC3)C2)C1=CC(=O)[N-]O1	REAL300029891906	0	53	0.0	-70.63	394.06	4.03	-66.60
O=C(NC1CCCC12CN(C(=O)C13CC[N@@H+](C1)CCC3)C2)C1=CC(=O)[N-]O1	REAL300029891906	1	53	0.0	-60.93	393.92	3.68	-57.25
CCCCCC[N@H+](C)CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029891942	0	60	0.0	-67.19	460.23	6.52	-60.67
CCCCCC[N@@H+](C)CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029891942	1	60	0.0	-67.29	460.23	6.51	-60.78
CC[NH+](CC)C(C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300029891947	0	60	0.0	-64.80	438.06	5.36	-59.44
CC1CC[NH+](CC(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029891980	0	55	0.0	-72.73	421.06	5.06	-67.67
C[NH+]1CCC(OCC(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029892008	0	56	0.0	-80.17	438.03	4.73	-75.44
O=C(NC1CCCC12CN(C(=O)C1CC3CCCC[N@@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300029892053	0	56	0.0	-64.04	423.70	5.77	-58.27
O=C(NC1CCCC12CN(C(=O)C1CC3CCCC[N@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300029892053	1	56	0.0	-70.64	423.65	5.18	-65.46
C[NH+](C)CC1(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029892064	0	52	0.0	-72.52	406.07	4.57	-67.95
CC1=[NH+]C=C2CCC(C(=O)N3CC4(C3)CCCC4NC(=O)C3=CC(=O)[N-]O3)CN21	REAL300029892065	1	54	0.0	-58.04	422.35	5.23	-52.81
CC(C)[NH+]1CCC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029892076	0	58	0.0	-66.45	429.09	5.16	-61.29
CC[N@H+](C)CCC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029892101	0	51	0.0	-74.77	398.20	3.80	-70.97
CC[N@@H+](C)CCC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029892101	1	51	0.0	-74.67	398.20	3.82	-70.85
CC(C)(C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300029892127	0	58	0.0	-61.89	419.94	5.61	-56.28
O=C(NC1CCCC12CN(C(=O)C1C[NH+]3CCC1CC3)C2)C1=CC(=O)[N-]O1	REAL300029892137	0	53	0.0	-77.74	398.74	4.27	-73.47
C[NH+]1CCC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029892217	0	52	0.0	-69.17	398.43	4.21	-64.96
CC(C)[C@H](C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029892235	0	54	0.0	-56.98	401.76	4.80	-52.18
CC[NH+](CC)CC(F)C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029892330	0	54	0.0	-71.68	416.25	4.26	-67.42
CC(C)C[N@@H+]1CCC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029892365	0	58	0.0	-70.51	440.09	5.70	-64.81
CC(C)C[N@H+]1CCC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029892365	1	58	0.0	-67.22	441.35	5.63	-61.59
C[NH+](C)C1(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029892369	0	52	0.0	-72.56	388.29	3.80	-68.76
CCC(C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300029892400	0	57	0.0	-64.95	422.40	4.80	-60.15
CC1CCC[N@@H+]1CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029892420	0	52	0.0	-68.62	396.86	3.95	-64.67
CC1CCC[N@H+]1CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029892420	1	52	0.0	-68.95	404.04	4.33	-64.62
CC(C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300029892490	0	58	0.0	-67.47	427.96	4.96	-62.51
CC(C)[N@@H+]1CCCCC1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029892492	0	58	0.0	-64.97	431.52	5.03	-59.94
CC(C)[N@H+]1CCCCC1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029892492	1	58	0.0	-67.21	422.50	4.88	-62.33
CC(C)[N@@H+]1CCCC1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029892513	0	55	0.0	-68.90	409.18	4.91	-63.99
CC(C)[N@H+]1CCCC1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029892513	1	55	0.0	-61.46	415.12	5.15	-56.31
CC(C)[N@@H+]1CCCC1CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029892519	0	58	0.0	-53.07	423.56	5.27	-47.80
CC(C)[N@H+]1CCCC1CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029892519	1	58	0.0	-66.89	429.20	4.65	-62.24
CC(C)[C@@H](C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029892534	0	54	0.0	-60.32	402.51	5.04	-55.28
CC1CC[N@H+](CC(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029892555	0	52	0.0	-52.58	403.02	4.86	-47.72
CC1CC[N@@H+](CC(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029892555	1	52	0.0	-71.21	404.05	4.29	-66.92
CC1=[NH+]C=C2CC(C(=O)N3CC4(C3)CCCC4NC(=O)C3=CC(=O)[N-]O3)CCN21	REAL300029892557	1	54	0.0	-71.70	420.88	5.30	-66.40
CC1(C)CC[N@H+](CC(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029892560	0	55	0.0	-65.02	421.95	4.98	-60.04
CC1(C)CC[N@@H+](CC(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029892560	1	55	0.0	-63.21	422.17	5.31	-57.90
C[N@H+](CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029892561	0	57	0.0	-71.94	426.53	4.95	-66.99
C[N@@H+](CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300029892561	1	57	0.0	-71.45	428.48	5.10	-66.35
CC[C@@H](C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029892570	0	51	0.0	-56.71	390.91	3.90	-52.81
CN(CCC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)C1=CC=[NH+]C=C1	REAL300029892697	0	54	0.0	-62.71	431.24	4.43	-58.28
CC1=[NH+]C=CN1CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029892781	1	47	0.0	-63.10	385.90	4.36	-58.74
CC(C[NH+]1CCOCC1)C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029892783	0	56	0.0	-75.67	426.78	3.07	-72.60
O=C(CCC[NH+]1CCCCC1)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029892800	0	58	0.0	-67.95	442.36	6.28	-61.67
C[NH+](C)CC1=CC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)=NO1	REAL300029892818	1	51	0.0	-79.68	415.21	3.64	-76.04
CC1=C(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300029892819	0	50	0.0	-77.36	411.44	6.32	-71.04
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029892854	1	53	0.0	-61.96	422.25	5.48	-56.48
O=C(NC1CCCC12CN(C(=O)C1CCCC3CCC[N@@H+]31)C2)C1=CC(=O)[N-]O1	REAL300029892890	0	56	0.0	-64.63	405.35	4.92	-59.71
O=C(NC1CCCC12CN(C(=O)C1CCCC3CCC[N@H+]31)C2)C1=CC(=O)[N-]O1	REAL300029892890	1	56	0.0	-58.93	416.33	5.64	-53.29
CC[N@@H+]1CCOC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029892912	1	53	0.0	-70.55	409.15	3.72	-66.83
CC[N@H+]1CCOC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029892912	1	53	0.0	-61.97	397.90	3.51	-58.46
O=C(NC1CCCC12CN(C(=O)C1=CN3C=[NH+]C=C3C=C1)C2)C1=CC(=O)[N-]O1	REAL300029892965	0	47	0.0	-74.23	383.83	5.64	-68.59
CC1=C[NH+]=CN1CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029892970	1	47	0.0	-67.40	386.26	5.10	-62.30
C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029892986	0	52	0.0	-76.28	395.31	3.89	-72.39
C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029892986	1	52	0.0	-74.07	399.18	4.24	-69.83
CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029892991	0	55	0.0	-74.23	415.46	4.20	-70.03
CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029892991	1	55	0.0	-70.34	415.76	5.15	-65.19
CC1CCC(C)[NH+]1CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029893004	0	55	0.0	-68.58	415.27	4.59	-63.99
O=C(CCC[NH+]1CCCC1)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029893010	0	55	0.0	-68.20	425.10	5.48	-62.72
C[NH+](C)CC1=CC=CC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029893011	0	55	0.0	-75.84	432.05	5.61	-70.23
C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029893017	0	54	0.0	-71.29	423.60	5.40	-65.89
O=C(CC[NH+]1CCCCC1)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029893018	0	55	0.0	-73.91	422.10	5.02	-68.89
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029893022	0	55	0.0	-65.19	428.89	5.63	-59.56
CC[N@@H+]1CCCCC1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029893026	0	55	0.0	-58.28	404.89	4.89	-53.39
CC[N@H+]1CCCCC1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029893026	1	55	0.0	-57.91	398.97	4.62	-53.29
C[NH+](C)C(C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300029893029	1	55	0.0	-71.01	432.69	6.05	-64.96
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029893034	1	54	0.0	-66.52	428.97	6.81	-59.71
C[NH+](C)C1(CC(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029893070	0	58	0.0	-76.64	421.98	5.01	-71.63
C[N@H+](CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029893235	0	52	0.0	-63.69	402.73	4.74	-58.95
C[N@@H+](CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300029893235	1	52	0.0	-67.02	403.51	4.72	-62.30
CC(C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300029893260	0	58	0.0	-65.36	428.23	4.94	-60.42
O=C(CCCC[NH+]1CCCC1)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029893273	0	58	0.0	-68.67	447.83	6.08	-62.59
C[N@H+](CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029893275	1	55	0.0	-76.42	435.36	6.13	-70.29
C[N@@H+](CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029893275	1	55	0.0	-76.35	435.42	6.14	-70.21
C[NH+]1CCC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029893286	0	52	0.0	-69.17	398.43	4.21	-64.96
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029893331	0	49	0.0	-66.28	373.52	3.39	-62.89
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029893331	1	49	0.0	-63.00	377.89	3.64	-59.36
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029893355	1	51	0.0	-53.87	403.06	4.47	-49.40
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029893355	1	51	0.0	-70.14	409.19	4.79	-65.35
C[N@@H+]1CCCC1CCC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029893361	0	55	0.0	-72.82	420.60	4.58	-68.24
C[N@H+]1CCCC1CCC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029893361	1	55	0.0	-73.00	420.04	4.61	-68.39
O=C(NC1CCCC12CN(C(=O)C13CCC[NH+](CCC1)C3)C2)C1=CC(=O)[N-]O1	REAL300029893372	0	56	0.0	-66.17	402.72	4.63	-61.54
O=C(NC1CCCC12CN(C(=O)C1CCC3CCCC[N@@H+]31)C2)C1=CC(=O)[N-]O1	REAL300029893379	0	56	0.0	-67.87	420.02	4.98	-62.89
O=C(NC1CCCC12CN(C(=O)C1CCC3CCCC[N@H+]31)C2)C1=CC(=O)[N-]O1	REAL300029893379	1	56	0.0	-60.97	423.57	5.64	-55.33
CCC[N@@H+]1CCCC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029893452	0	58	0.0	-53.85	431.69	6.11	-47.74
CCC[N@H+]1CCCC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029893452	1	58	0.0	-60.43	438.42	5.54	-54.89
CC(C)[N@@H+]1CCOC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029893469	0	56	0.0	-80.30	427.52	4.08	-76.22
CC(C)[N@H+]1CCOC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029893469	1	56	0.0	-70.84	420.57	3.90	-66.94
C[N@@H+]1CCCCC1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029893500	0	52	0.0	-65.31	398.32	4.58	-60.73
C[N@H+]1CCCCC1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029893500	1	52	0.0	-60.73	378.23	3.56	-57.17
CC(C)C[N@@H+]1CCCC1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029893524	0	58	0.0	-62.89	439.97	5.87	-57.02
CC(C)C[N@H+]1CCCC1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029893524	1	58	0.0	-59.12	433.02	5.55	-53.57
O=C(C[NH+]1CCC(CO)CC1)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029893539	0	56	0.0	-73.43	431.52	1.75	-71.68
CC1C(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300029893585	0	52	0.0	-74.67	402.58	3.84	-70.83
CC1C(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300029893585	1	52	0.0	-69.45	398.14	4.34	-65.11
C[N@@H+]1CCCCC1CCC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029893587	0	58	0.0	-67.16	438.29	6.01	-61.15
C[N@H+]1CCCCC1CCC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029893587	1	58	0.0	-76.12	432.69	5.27	-70.85
NC1=[NH+]C2=C(C=C1C(=O)N1CC3(C1)CCCC3NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029893619	1	52	0.0	-63.97	412.78	3.39	-60.58
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029893683	0	55	0.0	-62.26	417.86	4.46	-57.80
CC(C)(C)[N@H+]1CCC1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029893683	1	55	0.0	-68.24	401.86	3.62	-64.62
C[C@@H](C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029893702	0	48	0.0	-70.11	373.94	3.12	-66.99
C[NH+](C)CC1=CC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)=CC=N1	REAL300029893716	1	54	0.0	-72.48	428.07	3.80	-68.68
C=CCC(C)(C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029893720	0	55	0.0	-65.00	406.60	4.18	-60.82
O=C(CC[NH+]1CCCC1)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029893745	0	52	0.0	-74.14	406.43	4.31	-69.83
C[N@H+](CCO)CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029893755	1	49	0.0	-67.30	384.59	0.19	-67.11
C[N@@H+](CCO)CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029893755	1	49	0.0	-65.90	384.38	0.18	-65.72
O=C(NC1CCCC12CN(C(=O)C1C[N@@H+]3CCN1CCC3)C2)C1=CC(=O)[N-]O1	REAL300029893793	0	55	0.0	-77.89	399.30	2.28	-75.61
O=C(NC1CCCC12CN(C(=O)C1C[N@H+]3CCN1CCC3)C2)C1=CC(=O)[N-]O1	REAL300029893793	1	55	0.0	-80.06	396.64	2.45	-77.61
CC(C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300029893815	1	53	0.0	-73.31	411.26	4.31	-69.00
C[N@H+]1CC=C(CC(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029893855	0	53	0.0	-68.22	415.66	5.09	-63.13
C[N@@H+]1CC=C(CC(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029893855	1	53	0.0	-66.91	415.65	5.08	-61.83
C[S+](C)CCC(O)C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029893870	0	51	0.0	-83.09	418.61	2.06	-81.03
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029893889	0	53	0.0	-67.57	404.78	0.18	-67.39
C[N@H+]1CC(O)CC1(C)C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029893889	1	53	0.0	-62.79	401.69	0.33	-62.46
CN1CC[N@H+](C)CC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029893902	0	57	0.0	-56.60	425.97	3.01	-53.59
CN1CC[N@@H+](C)CC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029893902	1	57	0.0	-49.67	423.62	2.42	-47.25
CC(C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300029893903	0	56	0.0	-64.76	424.81	1.83	-62.93
CC(C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)[N@H+]1CCCC(O)C1	REAL300029893903	1	56	0.0	-54.17	422.34	1.48	-52.69
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029893930	0	52	0.0	-71.83	419.28	3.35	-68.48
C[N@@H+]1CCCC(O)(CC(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029893936	0	56	0.0	-60.02	417.06	3.23	-56.79
C[N@H+]1CCCC(O)(CC(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029893936	1	56	0.0	-68.22	414.94	3.38	-64.84
CC1C[NH+](CC(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029893941	1	49	0.0	-72.34	390.02	3.64	-68.70
CC[N@@H+]1CCCC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029893948	0	55	0.0	-73.37	419.05	4.93	-68.44
CC[N@H+]1CCCC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029893948	1	55	0.0	-65.10	412.31	4.80	-60.30
NC1=[NH+]C=CC=C1CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029893954	0	48	0.0	-63.25	390.74	2.57	-60.68
O=C(NC1CCCC12CN(C(=O)C1CCC[N@@H+]1C1CC1)C2)C1=CC(=O)[N-]O1	REAL300029893967	0	53	0.0	-68.60	408.39	5.01	-63.59
O=C(NC1CCCC12CN(C(=O)C1CCC[N@H+]1C1CC1)C2)C1=CC(=O)[N-]O1	REAL300029893967	1	53	0.0	-55.84	408.84	5.07	-50.77
O=C(C=CC[NH+]1CCCC1)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894010	0	53	0.0	-58.19	417.31	5.33	-52.86
O=C(NC1CCCC12CN(C(=O)C1CC[NH+](C3CC3)CC1)C2)C1=CC(=O)[N-]O1	REAL300029894033	0	56	0.0	-76.66	428.07	5.39	-71.27
CC[N@H+](C)CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894080	0	48	0.0	-65.81	374.24	3.42	-62.39
O=C(CN1CC2C=CC1C2)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894140	0	51	0.0	-67.84	396.76	4.71	-63.13
O=C(C[N@@H+]1CC2C=CC1C2)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894140	1	51	0.0	-62.18	396.30	5.06	-57.12
O=C(C[N@H+]1CC2C=CC1C2)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894140	1	51	0.0	-62.18	396.30	5.06	-57.12
CC1=CC=C(NCCC(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)N=C1	REAL300029894162	0	54	0.0	-69.38	436.97	3.99	-65.39
CC1=CC=C(NCCC(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)[NH+]=C1	REAL300029894162	1	54	0.0	-69.38	436.97	3.99	-65.39
O=C(NC1CCCC12CN(C(=O)C13CCC[N@@H+]1CCCC3)C2)C1=CC(=O)[N-]O1	REAL300029894268	0	56	0.0	-67.57	410.54	4.80	-62.77
O=C(NC1CCCC12CN(C(=O)C13CCC[N@H+]1CCCC3)C2)C1=CC(=O)[N-]O1	REAL300029894268	1	56	0.0	-67.57	410.54	4.80	-62.77
O=C(NC1CCCC12CN(C(=O)C13CCC[N@@H+]1CC=CC3)C2)C1=CC(=O)[N-]O1	REAL300029894277	0	54	0.0	-61.31	400.73	4.89	-56.42
O=C(NC1CCCC12CN(C(=O)C13CCC[N@H+]1CC=CC3)C2)C1=CC(=O)[N-]O1	REAL300029894277	1	54	0.0	-61.31	400.73	4.89	-56.42
CC(OCC[NH+](C)C)C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894288	0	55	0.0	-69.93	429.19	4.18	-65.75
C[NH+](C)CCOCCC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894298	0	55	0.0	-68.46	433.33	3.56	-64.90
COCCN(C)CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894300	0	52	0.0	-65.42	406.63	2.59	-62.83
COCC[N@H+](C)CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894300	1	52	0.0	-67.35	406.84	2.59	-64.76
COCC[N@@H+](C)CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894300	1	52	0.0	-67.35	406.84	2.59	-64.76
CC(CCC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029894306	0	54	0.0	-67.96	413.79	4.50	-63.46
CC[N@H+](CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029894333	0	52	0.0	-70.67	399.45	4.49	-66.18
CC1C[N@@H+]2CCN1C(C(=O)N1CC3(C1)CCCC3NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029894349	0	55	0.0	-72.63	408.03	1.91	-70.72
C[N@@H+]1CC2CC1(C(=O)N1CC3(C1)CCCC3NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029894374	0	50	0.0	-61.96	388.33	3.97	-57.99
CC1=NC(N)=CC=C1C=CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894384	0	52	0.0	-73.50	422.81	3.23	-70.27
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894384	1	52	0.0	-73.50	422.81	3.23	-70.27
O=C(C[N@@H+]1CC2CCC1C2)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894391	0	53	0.0	-68.45	403.11	4.46	-63.99
O=C(C[N@H+]1CC2CCC1C2)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894391	1	53	0.0	-68.45	403.11	4.46	-63.99
CC(C[NH+](C)C)C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894413	0	51	0.0	-74.97	393.85	3.62	-71.35
CCN1CCC1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894465	0	49	0.0	-72.06	390.34	3.52	-68.54
CC[N@@H+]1CCC1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894465	1	49	0.0	-70.41	381.76	3.19	-67.22
CC[N@H+]1CCC1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894465	1	49	0.0	-70.41	381.76	3.19	-67.22
CC(C)[N@@H+]1CCCC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029894478	0	58	0.0	-71.40	434.45	5.17	-66.23
CC(C)[N@H+]1CCCC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029894478	1	58	0.0	-71.40	434.45	5.17	-66.23
CCC(C)(C)[NH2+]C(C)C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894493	0	57	0.0	-68.38	420.85	2.95	-65.43
C#CCN1CCCCC1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894537	0	54	0.0	-60.99	424.37	5.53	-55.46
C#CC[N@H+]1CCCCC1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894537	1	54	0.0	-69.69	424.67	5.35	-64.34
C#CC[N@@H+]1CCCCC1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894537	1	54	0.0	-69.69	424.67	5.35	-64.34
CNC1=NC(C)=CC=C1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894538	0	51	0.0	-66.19	405.76	3.24	-62.95
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894538	1	51	0.0	-66.19	405.76	3.24	-62.95
CCCC(C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029894548	0	54	0.0	-70.62	410.95	4.42	-66.20
C[NH+](C)C(C)(C)C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894555	0	51	0.0	-75.18	380.46	3.64	-71.54
CC(CC[NH+](C)C)C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894574	0	54	0.0	-75.15	415.48	4.23	-70.92
O=C(NC1CCCC12CN(C(=O)C13CC(C1)C[N@@H+]3C1CC1)C2)C1=CC(=O)[N-]O1	REAL300029894645	0	54	0.0	-73.38	421.30	4.95	-68.43
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894684	0	55	0.0	-47.19	422.58	5.16	-42.03
C[N@H+]1CC(C)(C)CC1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894684	1	55	0.0	-47.19	422.58	5.16	-42.03
C[NH+](C)CCCCCC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894689	0	57	0.0	-69.96	443.38	5.68	-64.28
O=C(CC[NH+]1CCC(O)CC1)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894693	0	56	0.0	-67.92	431.95	2.14	-65.78
CCC[N@@H+]1CCCCC1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894697	0	58	0.0	-58.40	420.46	5.37	-53.03
CCC[N@H+]1CCCCC1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894697	1	58	0.0	-58.40	420.46	5.37	-53.03
CN1CCN(CC(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029894707	0	54	0.0	-73.73	417.14	2.05	-71.68
C[NH+]1CCN(CC(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029894707	1	54	0.0	-73.73	417.14	2.05	-71.68
CC1CN(C)CC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)O1	REAL300029894809	0	53	0.0	-76.57	405.81	3.96	-72.61
CC1C[N@H+](C)CC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)O1	REAL300029894809	1	53	0.0	-84.32	414.96	3.72	-80.60
CC1C[N@@H+](C)CC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)O1	REAL300029894809	1	53	0.0	-84.32	414.96	3.72	-80.60
CCC1CCC[N@H+](CC(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029894842	0	58	0.0	-61.91	437.85	6.17	-55.74
CCC1CCC[N@@H+](CC(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029894842	1	58	0.0	-61.91	437.85	6.17	-55.74
C[NH+](C)CC1=CC=C(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)N1	REAL300029894851	0	53	0.0	-86.46	421.17	4.06	-82.40
O=C(C[NH+]1CC2CC2C1)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894866	0	50	0.0	-65.69	391.97	4.63	-61.06
O=C(CC1([NH+]2CCCC2)CC1)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894879	0	56	0.0	-69.93	423.22	5.33	-64.60
C[N@@H+]1CCCCC1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894918	0	52	0.0	-65.31	398.32	4.58	-60.73
C[N@H+]1CCCCC1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894918	1	52	0.0	-60.73	378.23	3.56	-57.17
C[N@@H+]1CCC(=CC(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029895041	0	50	0.0	-72.48	394.78	4.64	-67.84
C[N@H+]1CCC(=CC(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029895041	1	50	0.0	-72.71	395.75	4.61	-68.10
O=C(CNC1=CC=[NH+]C=C1)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029895046	0	48	0.0	-69.88	392.58	2.33	-67.55
CC[NH+]1CCN(CC(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029895103	0	57	0.0	-59.98	433.10	3.17	-56.81
O=C(C=C1C[NH+]2CCC1CC2)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029895106	0	54	0.0	-68.41	414.34	4.98	-63.43
C[NH+](C)C1(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300029895144	0	55	0.0	-77.35	396.92	4.17	-73.18
C[N@H+](CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029895155	0	56	0.0	-62.29	427.12	2.15	-60.14
C[N@@H+](CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300029895155	1	56	0.0	-64.68	427.49	1.95	-62.73
CCC1C[NH+](CC(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029895161	1	52	0.0	-72.88	411.33	4.47	-68.41
O=C(NC1CCCC12CN(C(=O)C1([NH+]3CCCC3)CCC1)C2)C1=CC(=O)[N-]O1	REAL300029895165	0	56	0.0	-69.80	415.59	5.23	-64.57
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029895179	0	49	0.0	-62.01	380.18	3.99	-58.02
C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029895179	1	49	0.0	-67.06	375.47	3.24	-63.82
CC[N@@H+]1CCOCC1CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029895210	0	56	0.0	-72.74	424.73	3.46	-69.28
NC1=NC2=CC(C(=O)N3CC4(C3)CCCC4NC(=O)C3=CC(=O)[N-]O3)=CC=C2N1	REAL300029895300	0	49	0.0	-76.15	398.03	3.38	-72.77
NC1=[NH+]C2=CC(C(=O)N3CC4(C3)CCCC4NC(=O)C3=CC(=O)[N-]O3)=CC=C2N1	REAL300029895300	1	49	0.0	-76.15	398.03	3.38	-72.77
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029895338	0	52	0.0	-65.03	406.58	4.80	-60.23
C[NH+](C)C1CCC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029895353	0	58	0.0	-60.85	426.14	5.21	-55.64
C[NH+](C)CCC1(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029895354	0	55	0.0	-73.64	432.67	5.06	-68.58
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029895356	0	58	0.0	-68.04	426.76	5.50	-62.54
C[N@@H+]1CC=CCC1CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029895357	0	53	0.0	-59.05	403.63	4.75	-54.30
C[N@H+]1CC=CCC1CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029895357	1	53	0.0	-59.05	403.63	4.75	-54.30
CC1=CC(C=CC(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)=CN=C1N	REAL300029895407	0	52	0.0	-76.96	423.01	3.53	-73.43
CC1=CC(C=CC(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)=C[NH+]=C1N	REAL300029895407	1	52	0.0	-76.96	423.01	3.53	-73.43
C[NH+](C)CCOCC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029895420	0	52	0.0	-66.86	412.38	3.87	-62.99
CCCCC[N@H+](C)CCC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029895426	0	60	0.0	-76.31	462.69	6.12	-70.19
CCCCC[N@@H+](C)CCC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029895426	1	60	0.0	-76.31	462.69	6.12	-70.19
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)O1	REAL300029895438	0	56	0.0	-66.83	430.61	4.82	-62.01
[NH2+]=C1SC=CN1CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029895463	0	45	0.0	-67.56	385.78	2.72	-64.84
C[C@@H](OCC[NH+](C)C)C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029895537	0	55	0.0	-69.54	429.96	4.26	-65.28
O=C(CC[NH+]1CCCCCC1)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029895581	0	58	0.0	-76.23	432.10	5.20	-71.03
O=C(C[NH+]1CCCCC1)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029895585	0	52	0.0	-71.76	399.84	4.45	-67.31
C[N@@H+]1CCCC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029895587	0	52	0.0	-75.26	401.39	4.28	-70.98
C[N@H+]1CCCC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029895587	1	52	0.0	-71.93	393.40	4.01	-67.92
O=C(C[NH+]1CCC(CO)CC1)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029895588	0	56	0.0	-73.43	431.52	1.75	-71.68
O=C(C[NH+]1CCCCCC1)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029895591	0	55	0.0	-70.95	409.18	4.64	-66.31
CN1C=C[N+](CC(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029895596	0	47	0.0	-54.51	388.06	6.57	-47.94
C[NH+](C)CC1=CC=C(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)O1	REAL300029895614	1	52	0.0	-81.05	419.53	4.22	-76.83
C[NH+](C)CC1=CC=C(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C=N1	REAL300029895620	0	54	0.0	-70.10	426.27	3.91	-66.19
O=C(C[NH+]1CCC(O)CC1)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029895634	1	53	0.0	-76.12	410.92	1.10	-75.02
C[N@@H+](CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029895639	1	49	0.0	-60.07	386.28	4.47	-55.60
CC(C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300029895641	1	57	0.0	-67.42	426.46	2.14	-65.28
O=C(CC[N@@H+]1CCC(F)C1)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029895644	1	52	0.0	-75.17	413.05	4.33	-70.84
COC1C[N@@H+](C)C(C)(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029895655	1	56	0.0	-62.63	423.20	2.87	-59.76
CC(CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029895675	0	54	0.0	-69.77	413.70	4.77	-65.00
O=C(NC1CCCC12CN(C(=O)C1CC[N@@H+]3CCOCC13)C2)C1=CC(=O)[N-]O1	REAL300029895691	0	54	0.0	-61.82	411.53	3.02	-58.80
O=C(NC1CCCC12CN(C(=O)C1CC[N@H+]3CCOCC13)C2)C1=CC(=O)[N-]O1	REAL300029895691	1	54	0.0	-60.63	414.96	3.29	-57.34
CC1=[NH+]C=C2C=CC(C(=O)N3CC4(C3)CCCC4NC(=O)C3=CC(=O)[N-]O3)=CN21	REAL300029895696	0	50	0.0	-63.59	403.60	5.58	-58.01
CN1CCOCC1CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029895713	0	53	0.0	-62.33	400.52	2.43	-59.90
C[N@@H+]1CCOCC1CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029895713	1	53	0.0	-57.52	400.00	2.72	-54.80
C[N@H+]1CCOCC1CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029895713	1	53	0.0	-62.33	400.52	2.43	-59.90
CC[NH+]1CCN(CC(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029895721	0	57	0.0	-59.98	433.10	3.17	-56.81
CC1=CC(N)=[NH+]C=C1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029895776	1	48	0.0	-72.96	388.07	1.90	-71.06
NC1=CC=C(CCC(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C=[NH+]1	REAL300029895779	0	51	0.0	-72.40	417.12	3.08	-69.32
CC1(O)CC[N@@H+](CC(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029895820	1	53	0.0	-69.24	413.92	1.16	-68.08
C[NH+]1CC(CC(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029895855	0	49	0.0	-74.97	389.39	3.41	-71.56
O=C(NC1CCCC12CN(C(=O)C1CC[N@@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300029895860	0	56	0.0	-58.42	422.39	5.18	-53.24
O=C(NC1CCCC12CN(C(=O)C1CC[N@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300029895860	1	56	0.0	-69.34	421.45	5.17	-64.17
C[NH+](C)CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029895868	0	45	0.0	-66.78	356.51	2.75	-64.03
C[N@H+](CCO)CCC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029895897	0	52	0.0	-74.10	408.55	0.59	-73.51
C[N@@H+](CCO)CCC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029895897	1	52	0.0	-74.33	408.51	0.59	-73.74
C[C@@H](C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029895898	0	48	0.0	-70.11	373.94	3.12	-66.99
C[N@@H+]1CCCCC1CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029895920	0	55	0.0	-54.18	408.59	5.10	-49.08
C[N@H+]1CCCCC1CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029895920	1	55	0.0	-61.99	415.63	5.22	-56.77
CC1=C2C=C(C(=O)N3CC4(C3)CCCC4NC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029895942	1	50	0.0	-77.60	406.01	6.21	-71.39
CC(C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300029895943	0	52	0.0	-63.37	401.65	3.89	-59.48
CC1CC[N@@H+]1CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029895947	1	49	0.0	-64.15	390.20	3.73	-60.42
CC1CC[N@H+]1CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029895947	1	49	0.0	-57.95	388.65	3.80	-54.15
C[NH+](C)CC=CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029895961	0	49	0.0	-78.49	393.82	3.77	-74.72
CC1(C)C[NH+](CC(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029895974	1	52	0.0	-72.42	409.30	4.17	-68.25
CC1=C(C)[NH+]=C(CCC(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)N1	REAL300029895993	1	53	0.0	-61.99	427.10	4.33	-57.66
CC1=C2C=C(C(=O)N3CC4(C3)CCCC4NC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300029896004	1	50	0.0	-77.60	406.01	6.21	-71.39
C[NH+](C)CCSCC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029896014	0	52	0.0	-72.55	423.40	4.70	-67.85
O=C(C[N@H+]1CCCC1CO)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029896040	0	53	0.0	-48.23	411.43	1.70	-46.53
O=C(C[N@@H+]1CCCC1CO)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029896040	1	53	0.0	-62.30	403.69	0.94	-61.36
CC[NH+](CC)CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029896044	0	51	0.0	-70.65	389.69	3.65	-67.00
C[N@H+](CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029896055	0	53	0.0	-52.33	417.53	5.28	-47.05
C[N@@H+](CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300029896055	1	53	0.0	-71.95	415.86	4.98	-66.97
O=C(C[NH+]1CCC1)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029896057	1	46	0.0	-72.51	368.21	2.99	-69.52
CC[NH+](CC)CCC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029896108	0	54	0.0	-67.17	414.46	4.68	-62.49
C[NH+](C)CC1=CNC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029896175	0	53	0.0	-64.09	419.41	4.02	-60.07
CC(C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300029896194	0	56	0.0	-72.54	421.51	1.20	-71.34
O=C(NC1CCCC12CN(C(=O)C1CC3COCC[N@@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300029896200	0	54	0.0	-67.78	414.88	3.47	-64.31
O=C(NC1CCCC12CN(C(=O)C1CC3COCC[N@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300029896200	1	54	0.0	-68.81	412.58	2.98	-65.83
CC(C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300029896215	1	49	0.0	-60.27	382.26	3.84	-56.43
CCC(CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029896222	0	57	0.0	-62.74	431.75	5.38	-57.36
NC1=CC=C(C=CC(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C=[NH+]1	REAL300029896229	0	49	0.0	-77.96	405.21	2.78	-75.18
C[NH+](C)CC(C)(C)C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029896230	0	54	0.0	-73.11	401.63	3.85	-69.26
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029896294	0	52	0.0	-66.98	384.10	3.92	-63.06
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029896294	1	52	0.0	-64.14	397.40	4.59	-59.55
CC1CN2CC[N@@H+]1CC2C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029896309	0	55	0.0	-69.24	407.93	1.81	-67.43
CC1CN2CC[N@H+]1CC2C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029896309	1	55	0.0	-74.12	405.99	1.53	-72.59
C[NH+](C)CC(O)CC(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029896330	0	52	0.0	-72.28	409.12	1.82	-70.46
C[NH+]1C2CCC1CC(C(=O)N1CC3(C1)CCCC3NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029896333	0	56	0.0	-70.25	395.19	4.73	-65.52
C=CCC(C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029896366	0	52	0.0	-70.53	403.46	4.19	-66.34
O=C(NC1CCCC12CN(C(=O)C1CC3CCCC[N@@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300029896376	0	56	0.0	-64.04	423.70	5.77	-58.27
O=C(NC1CCCC12CN(C(=O)C1CC3CCCC[N@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300029896376	1	56	0.0	-70.64	423.65	5.18	-65.46
C[NH+]1CCC(C)(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029896387	0	55	0.0	-74.13	406.93	4.39	-69.74
C[NH+]1CCC(O)(CC(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029896389	0	56	0.0	-51.75	427.25	3.38	-48.37
CC1=C2C=C(C(=O)NC3CCCC34CN(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300029896465	1	50	0.0	-75.64	409.25	6.62	-69.02
C[NH+](C)CCSCC(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029896473	0	52	0.0	-71.55	422.24	4.60	-66.95
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2COCC[N@@H+]2C1	REAL300029896480	0	54	0.0	-73.28	414.45	2.84	-70.44
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2COCC[N@H+]2C1	REAL300029896480	1	54	0.0	-75.24	414.85	2.79	-72.45
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@@H+]1C	REAL300029896623	0	45	0.0	-59.31	345.24	2.10	-57.21
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@H+]1C	REAL300029896623	1	45	0.0	-61.05	350.84	2.51	-58.54
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@H+](C)CCO1	REAL300029896647	1	46	0.0	-64.72	356.28	1.83	-62.89
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@@H+](C)CCO1	REAL300029896647	1	46	0.0	-77.35	355.36	1.79	-75.56
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029896849	1	52	0.0	-64.86	411.34	4.77	-60.09
CC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+]1CCCCCC1	REAL300029896857	0	54	0.0	-62.65	395.26	3.91	-58.74
CC(C)[N@@H+]1CCCCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029896860	0	54	0.0	-57.60	398.28	4.00	-53.60
CC(C)[N@H+]1CCCCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029896860	1	54	0.0	-59.35	392.13	4.14	-55.21
CC(C)[N@@H+]1CCCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029896896	0	51	0.0	-60.81	384.13	3.64	-57.17
CC(C)[N@H+]1CCCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029896896	1	51	0.0	-61.78	384.21	3.64	-58.14
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300029896926	0	52	0.0	-66.17	393.41	4.29	-61.88
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC2CCCC[N@H+]2C1	REAL300029896926	1	52	0.0	-68.55	393.89	4.23	-64.32
CC(C)C1=[NH+]C=CN1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029896966	1	49	0.0	-60.97	390.81	4.23	-56.74
CC1=[NH+]C=CN1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029897028	1	43	0.0	-63.07	354.58	3.17	-59.90
CC(C[NH+]1CCOCC1)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029897030	0	52	0.0	-71.88	397.46	2.32	-69.56
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCC[NH+]1CCCCC1	REAL300029897053	0	54	0.0	-67.12	410.73	4.79	-62.33
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)(C)[NH+]1CCCCC1	REAL300029897094	0	54	0.0	-68.14	394.50	4.56	-63.58
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300029897097	0	58	0.0	-66.98	430.55	5.40	-61.58
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300029897097	1	58	0.0	-62.27	430.71	5.45	-56.82
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[NH+]2CCC1CC2	REAL300029897115	0	49	0.0	-70.70	367.18	3.34	-67.36
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCCC2CCC[N@@H+]21	REAL300029897182	0	52	0.0	-60.13	389.52	4.31	-55.82
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCCC2CCC[N@H+]21	REAL300029897182	1	52	0.0	-58.20	389.59	4.38	-53.82
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300029897185	0	51	0.0	-79.32	410.31	3.09	-76.23
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300029897202	0	51	0.0	-84.28	410.62	3.12	-81.16
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300029897210	0	48	0.0	-65.49	360.73	2.50	-62.99
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300029897210	1	48	0.0	-70.63	366.97	2.74	-67.89
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029897214	1	52	0.0	-65.84	411.87	4.82	-61.02
CC[C@@H]1[C@@H](C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC[N@@H+]1C	REAL300029897217	0	51	0.0	-65.00	382.10	3.17	-61.83
CC[C@@H]1[C@@H](C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC[N@H+]1C	REAL300029897217	1	51	0.0	-66.38	386.64	3.81	-62.57
CC[N@@H+]1CCOC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029897247	1	49	0.0	-82.39	381.29	2.65	-79.74
CC[N@H+]1CCOC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029897247	1	49	0.0	-78.58	374.16	2.50	-76.08
CC[NH+](CC)CC(F)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029897323	0	50	0.0	-75.91	383.04	3.20	-72.71
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=C(C[NH+](C)C)C=CS1	REAL300029897324	0	48	0.0	-56.57	391.13	4.16	-52.41
CC1CCC(C)[NH+]1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029897453	0	51	0.0	-67.85	373.57	3.24	-64.61
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCC[NH+]1CCCC1	REAL300029897464	0	51	0.0	-67.09	395.06	4.08	-63.01
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300029897465	0	51	0.0	-71.96	404.09	5.09	-66.87
C#CC[NH+]1CCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC1	REAL300029897475	0	50	0.0	-75.92	395.26	4.41	-71.51
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[NH+]1CCCCC1	REAL300029897477	0	51	0.0	-70.60	389.94	4.03	-66.57
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=CC=C1C[NH+](C)C	REAL300029897481	0	51	0.0	-56.15	396.56	5.36	-50.79
CC[N@@H+]1CCCCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029897493	0	51	0.0	-57.55	385.02	3.79	-53.76
CC[N@H+]1CCCCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029897493	1	51	0.0	-67.60	385.87	3.81	-63.79
CC(C)C(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+]1CCCCC1	REAL300029897494	0	57	0.0	-66.48	416.07	5.55	-60.93
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C1=CC=CC=C1)[NH+](C)C	REAL300029897498	1	51	0.0	-58.49	399.91	5.04	-53.45
CC(C)C[N@@H+]1CCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029897525	0	54	0.0	-69.06	411.09	4.53	-64.53
CC(C)C[N@H+]1CCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029897525	1	54	0.0	-66.93	409.95	4.46	-62.47
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1([NH+](C)C)CCC1	REAL300029897529	0	48	0.0	-66.50	356.75	3.12	-63.38
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@@H+]1C1CCOCC1	REAL300029897532	0	56	0.0	-69.75	402.65	3.19	-66.56
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@H+]1C1CCOCC1	REAL300029897532	1	56	0.0	-68.26	406.59	3.05	-65.21
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(CN1C=CC=N1)[NH+](C)C	REAL300029897534	1	51	0.0	-68.57	402.49	3.45	-65.12
CC(C)[N@@H+]1CCCC1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029897541	0	54	0.0	-54.98	394.15	3.64	-51.34
CC(C)[N@H+]1CCCC1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029897541	1	54	0.0	-63.14	395.72	3.66	-59.48
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300029897542	0	55	0.0	-67.13	397.87	5.14	-61.99
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@H+]1C1CCCC1	REAL300029897542	1	55	0.0	-67.70	411.88	5.02	-62.68
CC(C)[C@@H](C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+](C)C	REAL300029897572	0	50	0.0	-64.55	370.16	3.16	-61.39
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+](C)C1CCC1	REAL300029897645	0	48	0.0	-62.01	371.36	3.53	-58.48
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+](C)C1CCC1	REAL300029897645	1	48	0.0	-63.40	371.45	3.53	-59.87
CC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+]1C(C)CCC1C	REAL300029897750	0	54	0.0	-58.52	393.21	3.55	-54.97
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCN(C)C1=CC=[NH+]C=C1	REAL300029897835	0	50	0.0	-60.34	399.62	3.21	-57.13
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029897849	1	47	0.0	-59.66	371.82	3.32	-56.34
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029897849	1	47	0.0	-66.39	378.66	3.83	-62.56
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCC1CCC[N@@H+]1C	REAL300029897861	0	51	0.0	-68.83	387.86	3.64	-65.19
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCC1CCC[N@H+]1C	REAL300029897861	1	51	0.0	-71.29	389.68	3.90	-67.39
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2	REAL300029897878	0	52	0.0	-68.31	383.46	3.71	-64.60
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC2CCCC[N@@H+]21	REAL300029897886	0	52	0.0	-61.06	393.21	4.51	-56.55
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC2CCCC[N@H+]21	REAL300029897886	1	52	0.0	-64.34	386.77	4.03	-60.31
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1	REAL300029897898	0	55	0.0	-70.24	409.52	2.84	-67.40
CC[NH+](CC)CC1=CC=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)O1	REAL300029897915	0	54	0.0	-76.86	421.78	4.51	-72.35
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCCC[NH+]1CCCC1	REAL300029897920	0	54	0.0	-68.46	415.53	4.80	-63.66
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300029897923	1	51	0.0	-73.86	402.78	5.15	-68.71
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300029897923	1	51	0.0	-74.34	402.77	5.15	-69.19
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[NH+](C)CC1	REAL300029897941	0	48	0.0	-72.71	369.81	3.22	-69.49
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=NOC(C[NH+](C)C)=C1	REAL300029898014	1	47	0.0	-77.02	383.29	2.45	-74.57
CC1=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C=CC2=C[NH+]=CN21	REAL300029898016	0	46	0.0	-69.06	377.44	5.33	-63.73
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCCC[N@@H+]1C	REAL300029898075	0	48	0.0	-61.18	357.86	2.94	-58.24
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCCC[N@H+]1C	REAL300029898075	1	48	0.0	-66.56	357.80	2.99	-63.57
CC(C)C[N@@H+]1CCCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029898112	0	54	0.0	-69.83	396.15	4.61	-65.22
CC(C)C[N@H+]1CCCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029898112	1	54	0.0	-66.92	404.98	4.18	-62.74
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300029898301	0	43	0.0	-71.42	356.17	5.11	-66.31
CC1=[NH+]C=CN1CCCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029898317	1	49	0.0	-65.58	396.23	4.44	-61.14
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCCC[NH+]1CCOCC1	REAL300029898321	1	55	0.0	-74.44	424.33	3.18	-71.26
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300029898327	0	51	0.0	-81.27	404.15	5.03	-76.24
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[NH+]1CCOCC1	REAL300029898328	1	49	0.0	-73.72	381.19	1.62	-72.10
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)(C1=CC=CC=C1)[NH+](C)C	REAL300029898350	0	54	0.0	-79.74	401.27	4.97	-74.77
CCC[NH+](CCC)CCCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029898358	0	59	0.0	-67.27	447.78	5.76	-61.51
CC[N@H+](C)C(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)C1=CC=CC=C1	REAL300029898359	0	54	0.0	-64.86	409.47	5.41	-59.45
CC[N@@H+](C)C(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)C1=CC=CC=C1	REAL300029898359	1	54	0.0	-62.38	419.31	5.74	-56.64
CC1=C[NH+]=CN1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029898386	1	43	0.0	-66.96	355.68	3.95	-63.01
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1C=[NH+]C2=C1CCCC2	REAL300029898400	1	50	0.0	-65.81	397.60	5.61	-60.20
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(C[NH+](C)C)CCCCC1	REAL300029898448	0	57	0.0	-76.88	409.42	5.02	-71.86
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=CC=C1CC[NH+](C)C	REAL300029898449	0	54	0.0	-57.05	417.73	5.85	-51.20
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[N@H+](C)C1CCCCC1	REAL300029898456	0	57	0.0	-68.01	423.56	5.15	-62.86
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[N@@H+](C)C1CCCCC1	REAL300029898456	1	57	0.0	-66.96	423.56	5.15	-61.81
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CCC[NH+]1CCC2	REAL300029898462	0	49	0.0	-59.27	368.55	3.27	-56.00
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCCC([NH+](C)C)C1	REAL300029898506	0	54	0.0	-60.97	397.36	4.17	-56.80
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1CC[N@H+](C)C1	REAL300029898513	0	48	0.0	-68.01	372.43	3.11	-64.90
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1CC[N@@H+](C)C1	REAL300029898513	1	48	0.0	-71.43	371.87	3.13	-68.30
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=C[NH+]=CC=C1N(C)C	REAL300029898527	0	47	0.0	-73.60	375.81	2.31	-71.29
CCC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+](C)C	REAL300029898533	0	47	0.0	-60.91	357.90	2.70	-58.21
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1([NH+](C)C)CCCC1	REAL300029898558	0	54	0.0	-69.01	389.19	3.93	-65.08
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300029898637	1	43	0.0	-76.12	356.44	5.11	-71.01
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300029898686	1	46	0.0	-81.99	385.64	3.05	-78.94
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCCC[NH+](C)C	REAL300029898722	0	50	0.0	-69.84	390.59	3.69	-66.15
CC(C)C(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+](C)C	REAL300029898747	0	50	0.0	-60.02	371.49	3.59	-56.43
CCC[N@H+](C)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029898749	0	50	0.0	-67.37	386.74	3.50	-63.87
CCC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029898749	1	50	0.0	-67.56	386.82	3.50	-64.06
CCC[N@H+](C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029898756	0	47	0.0	-69.82	365.25	2.96	-66.86
CCC[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029898756	1	47	0.0	-69.63	365.25	2.94	-66.69
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CC[N@H+](C1)CCC2	REAL300029898789	0	49	0.0	-71.54	366.94	2.79	-68.75
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CC[N@@H+](C1)CCC2	REAL300029898789	1	49	0.0	-73.26	367.83	2.74	-70.52
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H]1CCC[N@@H+]1C	REAL300029898865	0	45	0.0	-64.12	350.30	2.55	-61.57
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H]1CCC[N@H+]1C	REAL300029898865	1	45	0.0	-68.68	345.09	2.04	-66.64
CC1CC2CCC(C(=O)N[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C)C[N@@H+]2C1	REAL300029898896	0	55	0.0	-68.66	413.97	4.96	-63.70
CC1CC2CCC(C(=O)N[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C)C[N@H+]2C1	REAL300029898896	1	55	0.0	-63.25	408.19	5.13	-58.12
CCCCCC[N@H+](C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029898956	0	56	0.0	-65.97	428.88	5.32	-60.65
CCCCCC[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029898956	1	56	0.0	-70.76	429.85	5.32	-65.44
CC[NH+](CC)C(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)C(C)C	REAL300029898968	0	56	0.0	-65.65	406.36	4.82	-60.83
CC[NH+](CC)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029898981	0	47	0.0	-62.71	356.78	2.59	-60.12
CCC[N@@H+]1CCCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029899014	0	54	0.0	-70.34	409.81	4.60	-65.74
CCC[N@H+]1CCCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029899014	1	54	0.0	-69.09	409.75	4.57	-64.52
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300029899027	0	58	0.0	-65.21	418.60	5.56	-59.65
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCCC[N@H+]1C1CCCC1	REAL300029899027	1	58	0.0	-60.49	422.79	5.38	-55.11
CC(C)[N@@H+]1CCOC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029899040	1	52	0.0	-80.22	398.02	3.16	-77.06
CC(C)[N@H+]1CCOC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029899040	1	52	0.0	-68.26	397.26	3.15	-65.11
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+]1CCC(C)CC1	REAL300029899084	0	51	0.0	-65.19	387.78	3.96	-61.23
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300029899118	1	46	0.0	-77.68	385.30	3.04	-74.64
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)COC1CC[NH+](C)CC1	REAL300029899128	0	52	0.0	-75.48	405.07	3.58	-71.90
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(C[NH+](C)C)CC1	REAL300029899148	0	48	0.0	-71.55	377.59	3.26	-68.29
CC1=[NH+]C=C2CCC(C(=O)N[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C)CN21	REAL300029899149	1	50	0.0	-65.20	394.31	4.36	-60.84
CC(C)[NH+]1CCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC1	REAL300029899261	0	54	0.0	-69.88	400.49	4.17	-65.71
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[NH+](C)CC1	REAL300029899293	0	48	0.0	-72.71	369.81	3.22	-69.49
CC(C)[C@H](C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+](C)C	REAL300029899316	0	50	0.0	-70.79	371.00	3.08	-67.71
CCC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+](CC)CC	REAL300029899356	0	53	0.0	-59.12	388.65	4.02	-55.10
CC[N@H+](C)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029899460	0	47	0.0	-66.77	365.33	2.77	-64.00
CC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029899460	1	47	0.0	-66.95	365.24	2.77	-64.18
CC1CCC[N@H+]1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029899549	0	48	0.0	-66.78	370.94	3.28	-63.50
CC1CCC[N@@H+]1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029899549	1	48	0.0	-62.57	370.46	3.29	-59.28
CC1CC[N@H+](CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029899552	0	48	0.0	-63.16	371.41	3.18	-59.98
CC1CC[N@@H+](CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029899552	1	48	0.0	-68.98	371.40	3.22	-65.76
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(F)CC[N@@H+](C(C)(C)C)C1	REAL300029899553	0	54	0.0	-58.39	407.34	3.82	-54.57
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(F)CC[N@H+](C(C)(C)C)C1	REAL300029899553	1	54	0.0	-66.42	407.35	3.78	-62.64
CC1=[NH+]C=C2CC(C(=O)N[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C)CCN21	REAL300029899555	1	50	0.0	-63.12	394.52	4.29	-58.83
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300029899557	0	54	0.0	-82.13	426.66	5.88	-76.25
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1	REAL300029899559	0	51	0.0	-63.78	390.89	3.81	-59.97
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+]1CCC(C)(C)C1	REAL300029899559	1	51	0.0	-63.69	390.02	3.77	-59.92
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+](C)CC(C)(C)C	REAL300029899560	0	53	0.0	-63.58	395.29	4.12	-59.46
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+](C)CC(C)(C)C	REAL300029899560	1	53	0.0	-64.90	392.99	3.95	-60.95
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300029899561	0	54	0.0	-73.23	425.17	5.97	-67.26
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300029899561	1	54	0.0	-73.38	425.16	5.98	-67.40
CC[C@@H](C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+](C)C	REAL300029899573	0	47	0.0	-59.79	355.46	2.54	-57.25
CC(COCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+]1CCCC1	REAL300029899581	0	55	0.0	-70.06	424.50	4.29	-65.77
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[NH+](CC2CC2)CC1	REAL300029899698	0	55	0.0	-75.81	419.78	5.46	-70.35
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C1=CC=CC=C1	REAL300029899761	0	55	0.0	-69.82	429.41	5.90	-63.92
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C1=CC=CC=C1	REAL300029899761	1	55	0.0	-76.90	430.09	5.89	-71.01
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1(O)CC[NH+](C)CC1	REAL300029899872	0	52	0.0	-71.24	395.72	1.82	-69.42
COCC[N@@H+]1CCCC1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029899881	0	55	0.0	-62.98	416.58	3.51	-59.47
COCC[N@H+]1CCCC1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029899881	1	55	0.0	-65.66	416.92	2.59	-63.07
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+]1CCC(CO)CC1	REAL300029899894	1	52	0.0	-73.98	399.44	0.71	-73.27
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+]1CCCCCC1	REAL300029899898	0	51	0.0	-63.03	376.34	3.56	-59.47
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N+]1=CN(C)C=C1	REAL300029899903	0	43	0.0	-65.94	357.15	5.12	-60.82
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@H+](C)C1	REAL300029899916	0	48	0.0	-65.89	369.80	3.13	-62.76
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@@H+](C)C1	REAL300029899916	1	48	0.0	-65.13	364.35	3.38	-61.75
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@@H+]1C1CC1	REAL300029899921	0	49	0.0	-65.24	383.41	4.12	-61.12
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@H+]1C1CC1	REAL300029899921	1	49	0.0	-70.24	376.34	3.48	-66.76
CC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+]1CCC1	REAL300029899962	1	45	0.0	-67.82	353.91	2.58	-65.24
CCC(CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)C[NH+](C)C	REAL300029899974	0	53	0.0	-65.18	400.40	4.10	-61.08
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)(C)C[NH+](C)C	REAL300029899983	0	50	0.0	-70.91	373.22	3.20	-67.71
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300029900007	0	50	0.0	-63.03	376.12	3.82	-59.21
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300029900007	1	50	0.0	-68.90	377.01	4.32	-64.58
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+]1CCC(O)CC1	REAL300029900035	1	49	0.0	-69.17	378.03	0.00	-69.17
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+](C)C1CC1	REAL300029900037	0	45	0.0	-62.08	354.55	2.96	-59.12
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+](C)C1CC1	REAL300029900037	1	45	0.0	-67.00	355.36	2.97	-64.03
CC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)N1CC[NH+](C)CC1	REAL300029900038	1	53	0.0	-64.38	396.14	1.30	-63.08
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1C[NH+](C)C1	REAL300029900074	0	45	0.0	-65.05	356.41	2.30	-62.75
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@@H+]1C1CCCC1	REAL300029900078	0	52	0.0	-64.52	397.71	4.51	-60.01
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@H+]1C1CCCC1	REAL300029900078	1	52	0.0	-67.15	396.06	4.33	-62.82
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300029900087	0	51	0.0	-65.78	387.32	3.26	-62.52
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@H+]1C(C)(C)C	REAL300029900087	1	51	0.0	-66.42	367.71	3.07	-63.35
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300029900100	0	51	0.0	-63.46	401.90	2.08	-61.38
C[C@@H](C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+](C)C	REAL300029900104	0	44	0.0	-66.12	343.92	1.96	-64.16
CCC1CCC[N@H+](CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029900163	0	54	0.0	-62.05	398.79	4.21	-57.84
CCC1CCC[N@@H+](CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029900163	1	54	0.0	-69.49	399.42	4.27	-65.22
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=C(C[NH+](C)C)N1	REAL300029900173	0	49	0.0	-80.17	392.84	2.78	-77.39
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1CC2CCC(C1)[NH+]2C	REAL300029900190	0	55	0.0	-73.38	390.83	3.96	-69.42
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC(C1=CC=CC=C1)[NH+](C)C	REAL300029900197	0	54	0.0	-79.44	416.02	5.55	-73.89
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1C=CSC1=[NH2+]	REAL300029900245	0	41	0.0	-66.89	353.10	1.72	-65.17
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[N@H+](C)CCO	REAL300029900258	0	48	0.0	-67.94	375.67	-0.45	-68.39
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[N@@H+](C)CCO	REAL300029900258	1	48	0.0	-65.62	375.58	-0.48	-66.10
C[C@@H](C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+](C)C	REAL300029900259	0	44	0.0	-66.12	343.92	1.96	-64.16
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H]1CCCC[N@@H+]1C	REAL300029900264	0	48	0.0	-68.71	368.04	3.16	-65.55
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H]1CCCC[N@H+]1C	REAL300029900264	1	48	0.0	-66.76	357.73	2.94	-63.82
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@@H+]2CCN1CC2C	REAL300029900275	0	51	0.0	-63.58	376.50	0.47	-63.11
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@H+]2CCN1CC2C	REAL300029900275	1	51	0.0	-79.43	378.85	0.56	-78.87
COC1C[N@@H+]2CCCC2(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029900329	0	53	0.0	-66.76	401.05	2.33	-64.43
COC1C[N@H+]2CCCC2(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029900329	1	53	0.0	-67.49	399.61	2.48	-65.01
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1=CC2=C[NH+]=CN2C=C1	REAL300029900347	0	46	0.0	-67.08	379.61	5.67	-61.41
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+](C)C1CCSC1	REAL300029900384	0	49	0.0	-73.14	385.37	3.81	-69.33
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+](C)C1CCSC1	REAL300029900384	1	49	0.0	-72.52	384.64	3.79	-68.73
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=NC(C[NH+](C)C)=C1	REAL300029900429	1	50	0.0	-71.62	400.06	3.65	-67.97
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C=C1CC[N@H+](C)C1	REAL300029900431	0	46	0.0	-73.58	363.83	3.18	-70.40
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C=C1CC[N@@H+](C)C1	REAL300029900431	1	46	0.0	-72.99	364.91	3.08	-69.91
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[NH+](C2CCCCC2)C1	REAL300029900462	0	55	0.0	-74.40	417.93	4.95	-69.45
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)COCC[NH+](C)C	REAL300029900483	0	48	0.0	-69.08	381.04	2.54	-66.54
CCCCC[N@H+](C)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029900491	0	56	0.0	-68.23	429.82	5.05	-63.18
CCCCC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029900491	1	56	0.0	-68.40	429.82	5.06	-63.34
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300029900503	0	52	0.0	-69.41	403.99	3.48	-65.93
C=CCC(C)(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+](C)C	REAL300029900515	0	51	0.0	-61.57	381.20	3.59	-57.98
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(O)CC[S+](C)C	REAL300029900520	0	47	0.0	-64.25	390.07	1.17	-63.08
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(C)CC(O)C[N@@H+]1C	REAL300029900563	0	49	0.0	-70.19	375.34	-0.34	-70.53
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CN(C)CC[N@H+](C)C1	REAL300029900578	0	53	0.0	-68.21	396.35	1.69	-66.52
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CN(C)CC[N@@H+](C)C1	REAL300029900578	1	53	0.0	-68.21	396.35	1.69	-66.52
CC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[N@@H+]1CCCC(O)C1	REAL300029900579	0	52	0.0	-69.82	397.00	0.45	-69.37
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1CCC(CO)CC1	REAL300029900597	0	52	0.0	-73.98	399.44	0.71	-73.27
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+]1CCC(CO)CC1	REAL300029900597	1	52	0.0	-73.98	399.44	0.71	-73.27
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1(O)CCC[N@H+](C)C1	REAL300029900608	0	52	0.0	-66.67	392.69	1.98	-64.69
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1(O)CCC[N@@H+](C)C1	REAL300029900608	1	52	0.0	-66.67	392.69	1.98	-64.69
CC1CN(CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029900612	0	45	0.0	-69.81	357.13	2.64	-67.17
CC1C[NH+](CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029900612	1	45	0.0	-69.81	357.13	2.64	-67.17
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1CCC(C(N)=O)CC1	REAL300029900618	0	52	0.0	-77.79	402.85	0.02	-77.77
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+]1CCC(C(N)=O)CC1	REAL300029900618	1	52	0.0	-77.79	402.85	0.02	-77.77
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN(C)CCO	REAL300029900644	0	45	0.0	-64.21	353.24	-1.01	-65.22
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+](C)CCO	REAL300029900644	1	45	0.0	-70.80	354.00	-1.00	-71.80
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+](C)CCO	REAL300029900644	1	45	0.0	-70.80	354.00	-1.00	-71.80
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C=C1CC2CCC(C1)[NH+]2C	REAL300029900677	0	53	0.0	-68.71	399.12	4.52	-64.19
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@@H+]2CCN1CCC2	REAL300029900682	0	51	0.0	-84.19	372.70	1.37	-82.82
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@H+]2CCN1CCC2	REAL300029900682	1	51	0.0	-84.19	372.70	1.37	-82.82
CC[N@@H+]1CCCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029900693	0	51	0.0	-64.38	387.40	3.77	-60.61
CC[N@H+]1CCCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029900693	1	51	0.0	-64.38	387.40	3.77	-60.61
CC(CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)C[NH+](C)C	REAL300029900695	0	50	0.0	-73.02	383.21	3.53	-69.49
CC[N@H+](C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029900713	0	44	0.0	-69.25	343.86	2.22	-67.03
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CCC[N@@H+]1CCCC2	REAL300029900745	0	52	0.0	-64.21	379.17	4.11	-60.10
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CCC[N@H+]1CCCC2	REAL300029900745	1	52	0.0	-64.21	379.17	4.11	-60.10
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CCC[N@@H+]1CC=CC2	REAL300029900755	0	50	0.0	-60.84	373.52	3.80	-57.04
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CCC[N@H+]1CC=CC2	REAL300029900755	1	50	0.0	-60.84	373.52	3.80	-57.04
CC[N@H+](CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)C1CC1	REAL300029900788	0	48	0.0	-62.38	371.21	3.49	-58.89
CC[NH+](CC)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029900813	0	50	0.0	-70.37	384.01	3.49	-66.88
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCCC[NH+]1CCCCC1	REAL300029900860	0	57	0.0	-68.29	432.25	5.56	-62.73
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+]1CCC(C)(O)C1	REAL300029900898	0	49	0.0	-64.64	380.94	-0.11	-64.75
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+]1CCC(C)(O)C1	REAL300029900898	1	49	0.0	-63.21	381.13	-0.10	-63.31
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C=CC[NH+](C)C	REAL300029900911	0	45	0.0	-68.76	362.41	2.76	-66.00
CC(OCC[NH+](C)C)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029900942	0	51	0.0	-70.86	401.60	3.36	-67.50
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCOCC[NH+](C)C	REAL300029900955	0	51	0.0	-66.13	401.97	2.35	-63.78
COCC[N@H+](C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029900956	1	48	0.0	-66.58	375.28	1.40	-65.18
COCC[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029900956	1	48	0.0	-64.22	375.49	1.39	-62.83
COCCCC[N@H+](C)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029900994	0	57	0.0	-71.06	441.91	3.35	-67.71
COCCCC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029900994	1	57	0.0	-71.27	442.00	3.35	-67.92
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1([NH+](C)C)CCCC1	REAL300029901022	0	51	0.0	-66.54	373.45	3.89	-62.65
CC(CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+](C)C	REAL300029901025	0	50	0.0	-71.71	378.56	3.28	-68.43
CC[N@@H+]1CCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029901036	1	45	0.0	-64.61	356.81	2.47	-62.14
CC[N@H+]1CCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029901036	1	45	0.0	-64.53	356.89	2.53	-62.00
CC(C)[N@@H+]1CCCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029901052	0	54	0.0	-64.98	404.03	4.29	-60.69
CC(C)[N@H+]1CCCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029901052	1	54	0.0	-63.76	404.08	4.28	-59.48
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCN(C2=[NH+]C=CN2C)C1	REAL300029901053	1	52	0.0	-63.31	406.50	4.14	-59.17
CC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[N@H+](C)CC1=CC=CC=C1	REAL300029901060	0	54	0.0	-63.28	420.18	5.53	-57.75
CC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[N@@H+](C)CC1=CC=CC=C1	REAL300029901060	1	54	0.0	-68.09	420.24	5.52	-62.57
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+]1CCCC1CO	REAL300029901069	0	49	0.0	-67.44	372.02	0.13	-67.31
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+]1CCCC1CO	REAL300029901069	1	49	0.0	-68.54	380.85	0.12	-68.42
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300029901102	0	52	0.0	-66.17	393.41	4.29	-61.88
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC2CCCC[N@H+]2C1	REAL300029901102	1	52	0.0	-68.55	393.89	4.23	-64.32
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(C)CC[NH+](C)CC1	REAL300029901113	0	51	0.0	-70.86	383.27	3.57	-67.29
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC(C[NH+](C)C)=CN1	REAL300029901120	0	49	0.0	-70.71	391.62	2.77	-67.94
CC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+]1CCC(O)CC1	REAL300029901142	1	52	0.0	-64.50	388.57	0.32	-64.18
C#CC1(O)CC[NH+](C(C)C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC1	REAL300029901151	1	54	0.0	-68.66	414.43	1.28	-67.38
C=CCC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+](C)C	REAL300029901163	0	48	0.0	-68.01	371.82	3.15	-64.86
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CCC([NH+](C)C)(CC1)CC2	REAL300029901176	0	58	0.0	-70.75	415.76	4.77	-65.98
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC(C)(C)C[N@@H+]1C	REAL300029901184	0	51	0.0	-68.79	391.84	3.79	-65.00
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC(C)(C)C[N@H+]1C	REAL300029901184	1	51	0.0	-68.65	385.13	3.26	-65.39
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCCCC[NH+](C)C	REAL300029901189	0	53	0.0	-70.03	412.09	4.47	-65.56
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+]1CC2CC2C1	REAL300029901201	0	46	0.0	-64.45	360.70	3.41	-61.04
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC1[N@@H+]1CCOC(C)C1	REAL300029901222	0	56	0.0	-69.49	428.92	3.34	-66.15
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC1[N@H+]1CCOC(C)C1	REAL300029901222	1	56	0.0	-62.01	422.20	3.35	-58.66
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@@H+]2CCN1C(C)C2	REAL300029901250	0	51	0.0	-79.45	378.14	0.56	-78.89
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@H+]2CCN1C(C)C2	REAL300029901250	1	51	0.0	-68.23	369.95	0.83	-67.40
CCCC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+](C)C	REAL300029901252	0	50	0.0	-69.10	379.38	3.46	-65.64
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)(C)[NH+](C)C	REAL300029901258	0	47	0.0	-69.72	352.88	2.62	-67.10
CC[NH+](CC)CCSCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029901307	0	54	0.0	-71.12	427.76	4.79	-66.33
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCCC[N@@H+]1C	REAL300029901319	0	48	0.0	-61.18	357.86	2.94	-58.24
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCCC[N@H+]1C	REAL300029901319	1	48	0.0	-66.56	357.80	2.99	-63.57
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1=CC[N@H+](C)CC1	REAL300029901381	0	49	0.0	-66.20	384.34	3.82	-62.38
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1=CC[N@@H+](C)CC1	REAL300029901381	1	49	0.0	-64.53	384.30	3.81	-60.72
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1([NH+]2CCCC2)CC1	REAL300029901394	0	52	0.0	-67.49	392.11	4.28	-63.21
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(C[NH+]2CCCC2)CCCC1	REAL300029901421	0	58	0.0	-61.58	418.75	5.70	-55.88
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)(C)C1CCC[N@H+](C)C1	REAL300029901461	0	57	0.0	-69.29	415.98	4.63	-64.66
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)(C)C1CCC[N@@H+](C)C1	REAL300029901461	1	57	0.0	-69.29	415.98	4.63	-64.66
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=C(CN(C)C)O1	REAL300029901466	0	48	0.0	-79.36	390.49	3.42	-75.94
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=C(C[NH+](C)C)O1	REAL300029901466	1	48	0.0	-79.36	390.49	3.42	-75.94
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C=CC[NH+]1CCCC1	REAL300029901493	0	49	0.0	-68.14	387.48	3.90	-64.24
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[NH+](C2CC2)CC1	REAL300029901525	0	52	0.0	-73.58	395.40	4.46	-69.12
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300029901550	0	48	0.0	-68.43	378.62	3.18	-65.25
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300029901550	1	48	0.0	-68.43	378.62	3.18	-65.25
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[NH+]1CCCC1	REAL300029901556	0	48	0.0	-66.83	372.39	3.15	-63.68
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC(=O)N(C2CN(C)C2)C1	REAL300029901567	0	53	0.0	-69.15	413.88	2.26	-66.89
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC(=O)N(C2C[NH+](C)C2)C1	REAL300029901567	1	53	0.0	-69.15	413.88	2.26	-66.89
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CC(C1)C[N@@H+]2C	REAL300029901629	0	46	0.0	-67.57	358.34	2.70	-64.87
CC1=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C=NN1CC[NH+](C)C	REAL300029901645	0	54	0.0	-77.78	427.00	3.62	-74.16
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+]1CC2CCC1C2	REAL300029901648	0	49	0.0	-66.16	370.20	3.52	-62.64
CC(C)[NH+]1CCC(CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC1	REAL300029901665	0	57	0.0	-61.66	422.73	5.07	-56.59
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C=C1C[NH+]2CCC1CC2	REAL300029901720	0	50	0.0	-65.82	382.14	4.00	-61.82
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1CC2C=CC1C2	REAL300029901733	0	47	0.0	-67.27	364.97	3.47	-63.80
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+]1CC2C=CC1C2	REAL300029901733	1	47	0.0	-65.10	365.28	3.46	-61.64
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+]1CC2C=CC1C2	REAL300029901733	1	47	0.0	-65.10	365.28	3.46	-61.64
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C[NH+](C)C)C1=CC=CC=C1	REAL300029901776	0	54	0.0	-75.65	422.06	5.70	-69.95
CC(C[NH+](C)C)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029901810	0	47	0.0	-65.07	363.44	2.91	-62.16
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1CCCC[N@@H+]1C	REAL300029901922	0	51	0.0	-62.91	376.96	3.53	-59.38
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1CCCC[N@H+]1C	REAL300029901922	1	51	0.0	-69.41	384.48	3.73	-65.68
CC1=C2C=C(C(=O)N[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C)C=CN2C=[NH+]1	REAL300029901945	1	46	0.0	-74.36	378.29	5.69	-68.67
CC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+]1CC(C)C1	REAL300029901946	1	48	0.0	-66.42	375.10	3.29	-63.13
CC1CC[N@@H+]1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029901950	1	45	0.0	-67.58	351.75	2.34	-65.24
CC1CC[N@H+]1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029901950	1	45	0.0	-67.16	351.66	2.43	-64.73
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC(O)C[NH+](C)C	REAL300029901955	0	48	0.0	-71.53	377.67	0.54	-70.99
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@H+](C)CC(C)O1	REAL300029901996	1	49	0.0	-72.36	376.58	2.30	-70.06
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@@H+](C)CC(C)O1	REAL300029901996	1	49	0.0	-71.07	377.03	2.64	-68.43
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[NH+]1CCC(O)CC1	REAL300029902010	0	52	0.0	-70.05	400.33	0.61	-69.44
CCC[N@@H+]1CCCCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029902013	0	54	0.0	-65.19	397.07	4.33	-60.86
CCC[N@H+]1CCCCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029902013	1	54	0.0	-60.98	397.09	4.37	-56.61
CC[NH+]1CCN(CCC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC1	REAL300029902017	0	56	0.0	-70.51	423.84	2.21	-68.30
CCN1CC[NH+](CCC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC1	REAL300029902017	1	56	0.0	-71.77	424.53	2.28	-69.49
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300029902020	0	55	0.0	-65.23	395.63	4.27	-60.96
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300029902020	1	55	0.0	-63.46	399.96	5.01	-58.45
CC(C)C[NH+]1CCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC1	REAL300029902074	0	57	0.0	-75.10	427.06	5.35	-69.75
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1CCC([NH+](C)C)CC1	REAL300029902107	0	56	0.0	-67.17	418.53	2.23	-64.94
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300029902132	0	48	0.0	-62.03	374.71	3.24	-58.79
CC(CC[NH+](C)C)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029902142	0	50	0.0	-72.10	386.08	3.43	-68.67
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300029902180	0	52	0.0	-68.37	396.88	0.78	-67.59
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O	REAL300029902180	1	52	0.0	-65.56	397.24	0.84	-64.72
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(CC1=CC=CC=C1)[NH+](C)C	REAL300029902196	0	54	0.0	-64.42	413.15	5.47	-58.95
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1CC[NH+](C)CC1	REAL300029902198	1	50	0.0	-68.66	384.94	1.13	-67.53
CC[NH+]1CCN(CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC1	REAL300029902211	0	53	0.0	-67.78	402.89	1.75	-66.03
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CSC(N)=[NH2+]	REAL300029902244	0	39	0.0	-68.10	333.59	-1.62	-69.72
CC[N@@H+]1CCOCC1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029902298	0	52	0.0	-68.44	393.43	2.01	-66.43
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(CC[NH+](C)C)CCCC1	REAL300029902320	0	57	0.0	-68.43	420.48	5.26	-63.17
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[NH+]1C(C)CCCC1C	REAL300029902322	0	57	0.0	-63.35	415.45	4.62	-58.73
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC([NH+](C)C)CC1	REAL300029902325	0	54	0.0	-76.54	404.83	4.44	-72.10
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(CC[NH+](C)C)CC1	REAL300029902326	0	51	0.0	-63.90	397.82	3.95	-59.95
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300029902330	0	54	0.0	-49.44	397.48	4.19	-45.25
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1CC=CC[N@@H+]1C	REAL300029902331	0	49	0.0	-60.27	372.25	3.59	-56.68
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1CC=CC[N@H+]1C	REAL300029902331	1	49	0.0	-60.27	372.25	3.59	-56.68
C[C@@H](OCC[NH+](C)C)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C	REAL300029902368	0	51	0.0	-68.97	400.89	3.30	-65.67
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC2CCC(C1)[NH+]2C	REAL300029902412	0	52	0.0	-74.04	386.05	3.77	-70.27
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(C2(O)CC[NH+](C)CC2)CC1	REAL300029902540	0	56	0.0	-66.18	416.72	2.35	-63.83
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(CC[NH+]2CCCCC2)CC1	REAL300029902569	0	58	0.0	-76.64	441.51	5.99	-70.65
CC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C)[NH+]1CCSCC1	REAL300029902595	1	49	0.0	-66.31	377.89	3.46	-62.85
CCC1C[NH+](CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029902598	1	48	0.0	-70.31	378.64	3.46	-66.85
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[NH+](C2CCOCC2)C1	REAL300029902600	0	53	0.0	-67.30	408.83	2.46	-64.84
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1([NH+]2CCCC2)CCC1	REAL300029902602	0	52	0.0	-69.22	381.98	4.15	-65.07
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@@H]1CCC[N@H+]1C	REAL300029902614	1	45	0.0	-61.63	350.98	2.52	-59.11
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[N@H+]1CCC(F)C1	REAL300029902624	1	48	0.0	-71.49	379.89	3.36	-68.13
COC1C[N@@H+](C)C(C)(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029902635	1	52	0.0	-72.89	392.76	2.14	-70.75
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[NH+]1CCCCCC1	REAL300029902649	0	54	0.0	-72.10	400.12	4.19	-67.91
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+]1CCCCC1	REAL300029902653	0	48	0.0	-64.44	366.91	3.39	-61.05
CC1C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC[N@@H+]1C	REAL300029902663	0	48	0.0	-66.48	367.19	2.83	-63.65
CC1C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)CC[N@H+]1C	REAL300029902663	1	48	0.0	-62.74	367.06	3.01	-59.73
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCC1CCCC[N@@H+]1C	REAL300029902666	0	54	0.0	-69.99	407.42	4.46	-65.53
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCC1CCCC[N@H+]1C	REAL300029902666	1	54	0.0	-68.40	407.01	4.53	-63.87
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@@H+]2CCOCC12	REAL300029902711	0	50	0.0	-75.78	384.88	1.88	-73.90
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@H+]2CCOCC12	REAL300029902711	1	50	0.0	-61.81	379.73	1.77	-60.04
CC1=[NH+]C=C2C=CC(C(=O)N[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C)=CN21	REAL300029902720	0	46	0.0	-67.87	377.59	4.88	-62.99
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1COCCN1C	REAL300029902743	0	49	0.0	-77.37	376.63	1.40	-75.97
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1COCC[N@@H+]1C	REAL300029902743	1	49	0.0	-69.26	369.16	1.21	-68.05
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1COCC[N@H+]1C	REAL300029902743	1	49	0.0	-77.37	376.63	1.40	-75.97
CC1=C(C)[NH+]=C(CCC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)N1	REAL300029902757	1	49	0.0	-65.54	396.16	2.91	-62.63
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300029902770	0	54	0.0	-73.33	426.59	5.93	-67.40
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCN1CC1=CC=CC=C1	REAL300029902775	0	52	0.0	-67.78	416.74	5.49	-62.29
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300029902775	1	52	0.0	-68.18	416.83	5.57	-62.61
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@H+]1CC1=CC=CC=C1	REAL300029902775	1	52	0.0	-67.78	416.74	5.49	-62.29
CC(C)C[N@@H+]1CCCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029902779	0	57	0.0	-65.73	426.45	5.25	-60.48
CC(C)C[N@H+]1CCCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C1	REAL300029902779	1	57	0.0	-70.07	427.50	5.31	-64.76
C[C@@H]1CN(C(=O)C2CCC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029902938	0	45	0.0	-61.26	350.96	2.57	-58.69
C[C@@H]1CN(C(=O)C2CCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029902938	1	45	0.0	-57.99	351.49	2.44	-55.55
C[C@@H]1CN(C(=O)C2C[N@H+](C)CCO2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029902963	1	46	0.0	-73.33	361.18	2.02	-71.31
C[C@@H]1CN(C(=O)C2C[N@@H+](C)CCO2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029902963	1	46	0.0	-70.73	353.94	1.72	-69.01
CC1=[NH+]C=CN1CCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029903136	1	49	0.0	-61.86	399.03	4.54	-57.32
C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029903140	1	55	0.0	-67.11	426.37	3.21	-63.90
C[C@@H]1CN(C(=O)C2=CC=C(C[NH+](C)C)C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029903146	0	51	0.0	-72.34	400.79	4.73	-67.61
C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029903147	1	49	0.0	-64.38	383.28	1.66	-62.72
C[C@@H]1CN(C(=O)C(C)(C2=CC=CC=C2)[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029903169	0	54	0.0	-77.52	394.48	4.87	-72.65
CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029903177	0	59	0.0	-63.25	446.09	5.58	-57.67
CC[N@H+](C)C(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029903178	0	54	0.0	-61.42	417.29	5.60	-55.82
CC[N@@H+](C)C(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029903178	1	54	0.0	-56.66	417.30	5.62	-51.04
C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029903199	0	49	0.0	-56.75	365.64	2.96	-53.79
C[C@@H]1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029903219	1	43	0.0	-66.79	363.36	5.15	-61.64
C[C@@H]1CN(C(=O)C2CCCC([NH+](C)C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029903309	0	54	0.0	-66.03	396.52	4.06	-61.97
C[C@@H]1CN(C(=O)CC2CC[N@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029903316	0	48	0.0	-67.84	375.28	3.32	-64.52
C[C@@H]1CN(C(=O)CC2CC[N@@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029903316	1	48	0.0	-65.57	374.89	3.18	-62.39
C[C@@H]1CN(C(=O)C2=C[NH+]=CC=C2N(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029903330	0	47	0.0	-69.20	378.94	1.58	-67.62
CCC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029903336	0	47	0.0	-56.68	355.06	2.46	-54.22
C[C@@H]1CN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029903346	1	46	0.0	-73.24	385.50	3.33	-69.91
CC1CC2CCC(C(=O)N3C[C@@H](C)[C@@H](NC(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300029903403	0	55	0.0	-60.78	415.10	4.79	-55.99
CC1CC2CCC(C(=O)N3C[C@@H](C)[C@@H](NC(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300029903403	1	55	0.0	-59.01	411.79	4.68	-54.33
C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029903443	0	50	0.0	-65.80	393.37	3.77	-62.03
CC(C)C(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029903470	0	50	0.0	-55.21	370.88	3.05	-52.16
CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029903472	0	50	0.0	-62.88	389.72	3.58	-59.30
CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029903472	1	50	0.0	-63.18	389.72	3.59	-59.59
CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029903479	0	47	0.0	-63.32	368.17	3.15	-60.17
CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029903479	1	47	0.0	-60.22	367.32	2.99	-57.23
C[C@@H]1CN(C(=O)C23CC[N@H+](C2)CCC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029903512	0	49	0.0	-63.86	360.07	2.54	-61.32
C[C@@H]1CN(C(=O)C23CC[N@@H+](C2)CCC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029903512	1	49	0.0	-62.25	361.23	2.48	-59.77
CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029903568	0	56	0.0	-64.42	432.67	5.49	-58.93
CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029903568	1	56	0.0	-61.13	431.81	5.34	-55.79
CC[NH+](CC)C(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300029903580	0	56	0.0	-57.58	396.71	4.02	-53.56
C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029903628	0	51	0.0	-59.77	390.71	4.07	-55.70
C[C@@H]1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029903662	1	46	0.0	-74.07	381.92	2.72	-71.35
C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029903672	0	52	0.0	-70.69	408.03	3.79	-66.90
C[C@@H]1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029903748	0	52	0.0	-60.57	392.52	4.33	-56.24
C[C@@H]1CN(C(=O)C2CC3CCCC[N@H+]3C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029903748	1	52	0.0	-60.87	393.44	4.27	-56.60
C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029903769	0	48	0.0	-58.28	376.48	3.33	-54.95
CC1=[NH+]C=C2CCC(C(=O)N3C[C@@H](C)[C@@H](NC(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300029903770	1	50	0.0	-67.59	395.93	4.24	-63.35
CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029903783	0	54	0.0	-64.61	402.66	4.16	-60.45
CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029903823	0	47	0.0	-62.24	368.20	2.84	-59.40
CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029903823	1	47	0.0	-62.60	368.22	2.84	-59.76
C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029903866	0	54	0.0	-60.56	389.93	4.11	-56.45
C[C@@H]1CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029903869	0	58	0.0	-60.47	430.22	5.36	-55.11
C[C@@H]1CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029903869	1	58	0.0	-64.94	430.01	5.39	-59.55
C[C@@H]1CN(C(=O)C2C[NH+]3CCC2CC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029903887	0	49	0.0	-70.78	366.29	3.17	-67.61
C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029903992	0	48	0.0	-67.82	368.35	2.98	-64.84
CC(C)[C@H](C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029904015	0	50	0.0	-62.54	368.83	3.07	-59.47
C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029904123	0	55	0.0	-76.41	423.52	5.33	-71.08
CC[NH+](CC)CC(F)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029904177	0	50	0.0	-65.76	389.00	3.52	-62.24
C[C@@H]1CN(C(=O)C2=C(C[NH+](C)C)C=CS2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029904178	0	48	0.0	-60.47	388.68	3.94	-56.53
CC(C)C[N@@H+]1CCC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029904228	0	54	0.0	-63.18	409.60	4.54	-58.64
CC(C)C[N@H+]1CCC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029904228	1	54	0.0	-62.36	409.39	4.49	-57.87
C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029904232	0	48	0.0	-55.70	356.27	2.52	-53.18
CCC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029904274	0	53	0.0	-57.39	389.17	3.79	-53.60
CC1CCC[N@H+]1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029904307	0	48	0.0	-58.06	366.81	3.00	-55.06
CC1CCC[N@@H+]1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029904307	1	48	0.0	-59.36	367.63	3.07	-56.29
CC(C)C1=[NH+]C=CN1CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029904420	1	52	0.0	-56.81	413.59	4.78	-52.03
CC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300029904428	0	54	0.0	-57.26	395.76	4.01	-53.25
CC(C)[N@@H+]1CCCCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029904431	0	54	0.0	-56.25	400.25	4.11	-52.14
CC(C)[N@H+]1CCCCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029904431	1	54	0.0	-58.28	400.70	4.19	-54.09
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029904467	0	51	0.0	-60.12	377.97	3.86	-56.26
CC(C)[N@H+]1CCCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029904467	1	51	0.0	-57.88	379.34	4.15	-53.73
C[C@@H]1CN(C(=O)C2CCC[N@@H+]2C2CCOCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029904476	0	56	0.0	-59.87	423.18	3.08	-56.79
C[C@@H]1CN(C(=O)C2CCC[N@H+]2C2CCOCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029904476	1	56	0.0	-60.70	417.27	3.06	-57.64
C[C@@H]1CN(C(=O)C(CN2C=CC=N2)[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029904478	1	51	0.0	-58.25	399.30	2.81	-55.44
CC(C)[N@@H+]1CCCC1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029904485	0	54	0.0	-53.13	399.33	3.81	-49.32
CC(C)[N@H+]1CCCC1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029904485	1	54	0.0	-59.65	399.36	3.82	-55.83
C[C@@H]1CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029904486	0	55	0.0	-57.28	415.76	5.02	-52.26
C[C@@H]1CN(C(=O)C2CCC[N@H+]2C2CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029904486	1	55	0.0	-58.91	413.66	5.02	-53.89
CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029904516	0	50	0.0	-54.25	372.12	3.09	-51.16
CC1CC[N@H+](CC(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029904554	0	48	0.0	-59.02	374.28	3.32	-55.70
CC1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029904554	1	48	0.0	-59.52	373.32	3.29	-56.23
C[C@@H]1CN(C(=O)C2(F)CC[N@@H+](C(C)(C)C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029904555	0	54	0.0	-62.98	406.07	3.80	-59.18
C[C@@H]1CN(C(=O)C2(F)CC[N@H+](C(C)(C)C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029904555	1	54	0.0	-57.89	405.26	3.82	-54.07
CC1=[NH+]C=C2CC(C(=O)N3C[C@@H](C)[C@@H](NC(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300029904557	1	50	0.0	-56.66	395.86	4.21	-52.45
C[C@@H]1CN(C(=O)C2=CC=C(CC[NH+](C)C)C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029904559	0	54	0.0	-71.89	427.41	5.72	-66.17
C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029904561	0	51	0.0	-59.80	393.59	3.89	-55.91
C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029904561	1	51	0.0	-59.65	393.35	3.84	-55.81
C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029904562	0	53	0.0	-59.83	397.93	4.22	-55.61
C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029904562	1	53	0.0	-60.04	397.72	4.09	-55.95
C[C@@H]1CN(C(=O)C[N@H+](C)CCC2=CC=CC=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029904563	0	54	0.0	-64.09	427.22	6.02	-58.07
C[C@@H]1CN(C(=O)C[N@@H+](C)CCC2=CC=CC=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029904563	1	54	0.0	-67.44	428.08	6.17	-61.27
CC[C@@H](C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029904575	0	47	0.0	-60.33	359.85	2.80	-57.53
CC(COCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300029904583	0	55	0.0	-59.48	425.19	4.35	-55.13
C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C2=CC=CC=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029904597	0	55	0.0	-57.08	426.93	5.73	-51.35
C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C2=CC=CC=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029904597	1	55	0.0	-87.36	431.23	5.79	-81.57
C[C@@H]1CN(C(=O)CCN(C)C2=CC=[NH+]C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029904770	0	50	0.0	-56.13	402.48	3.30	-52.83
CC1=[NH+]C=CN1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029904912	1	43	0.0	-60.01	357.54	3.26	-56.75
CC(C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029904914	0	52	0.0	-65.68	396.52	2.17	-63.51
C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029904937	0	54	0.0	-63.19	413.59	4.85	-58.34
C[C@@H]1CN(C(=O)C2=NOC(C[NH+](C)C)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029904963	1	47	0.0	-73.91	384.31	2.87	-71.04
CC1=C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300029904965	0	46	0.0	-57.37	380.15	5.17	-52.20
CC(C)C1=[NH+]C=CN1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029905029	1	49	0.0	-58.03	393.90	4.40	-53.63
C[C@@H]1CN(C(=O)C2CCCC3CCC[N@@H+]32)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029905094	0	52	0.0	-56.33	393.98	4.28	-52.05
C[C@@H]1CN(C(=O)C2CCCC3CCC[N@H+]32)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029905094	1	52	0.0	-60.49	381.32	3.77	-56.72
CC[N@@H+]1CCOC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029905143	1	49	0.0	-53.12	371.65	2.39	-50.73
CC[N@H+]1CCOC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029905143	1	49	0.0	-65.49	379.35	2.68	-62.81
C[C@@H]1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029905237	0	43	0.0	-62.60	363.20	5.13	-57.47
CC1=C[NH+]=CN1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029905242	1	43	0.0	-59.80	357.92	4.00	-55.80
C[C@@H]1CN(C(=O)C2=CN(CC[NH+](C)C)N=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029905248	0	51	0.0	-75.03	406.93	2.78	-72.25
C[C@@H]1CN(C(=O)C2=NN(CC[NH+](C)C)C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029905265	0	51	0.0	-74.66	410.63	3.37	-71.29
C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029905273	0	48	0.0	-64.53	364.47	2.66	-61.87
C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029905273	1	48	0.0	-59.14	370.13	2.81	-56.33
CCC1=[NH+]C=CN1C(C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029905277	1	52	0.0	-59.52	414.79	4.98	-54.54
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029905280	0	51	0.0	-61.35	380.58	3.19	-58.16
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029905280	1	51	0.0	-59.79	386.95	3.46	-56.33
CC1CCC(C)[NH+]1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029905312	0	51	0.0	-60.31	376.57	3.29	-57.02
C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029905323	0	51	0.0	-63.20	396.92	4.12	-59.08
C[C@@H]1CN(C(=O)C2=CC=CC(C[NH+](C)C)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029905324	0	51	0.0	-66.97	402.49	4.68	-62.29
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029905335	0	50	0.0	-80.21	398.43	4.38	-75.83
C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029905337	0	51	0.0	-64.14	392.93	4.14	-60.00
C[C@@H]1CN(C(=O)C2=CC=CC=C2C[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029905342	0	51	0.0	-55.77	400.73	4.84	-50.93
CC[N@@H+]1CCCCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029905354	0	51	0.0	-60.34	378.20	3.52	-56.82
CC[N@H+]1CCCCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029905354	1	51	0.0	-58.10	379.22	3.58	-54.52
CC(C)C(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029905355	0	57	0.0	-58.33	413.93	5.28	-53.05
C[C@@H]1CN(C(=O)C(C2=CC=CC=C2)[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029905359	1	51	0.0	-63.85	399.69	4.82	-59.03
C[C@@H]1CN(C(=O)CN2C=[NH+]C3=C2CCCC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029905369	1	50	0.0	-61.02	400.53	5.79	-55.23
C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029905418	0	57	0.0	-70.72	406.45	4.46	-66.26
C[C@@H]1CN(C(=O)C2=CC=CC=C2CC[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029905419	0	54	0.0	-69.74	422.49	5.52	-64.22
C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029905426	0	57	0.0	-63.51	426.53	5.23	-58.28
C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029905426	1	57	0.0	-62.45	426.53	5.24	-57.21
C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029905430	0	54	0.0	-65.68	392.79	4.13	-61.55
C[C@@H]1CN(C(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029905447	1	52	0.0	-72.04	405.29	2.53	-69.51
C[C@@H]1CN(C(=O)C2=NNC(C3CCC[N@H+]3C)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029905447	1	52	0.0	-71.59	410.93	2.89	-68.70
C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029905722	0	48	0.0	-61.09	375.17	3.72	-57.37
C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029905722	1	48	0.0	-59.66	374.29	3.65	-56.01
CC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300029905764	0	54	0.0	-57.92	396.36	3.91	-54.01
CC[NH+](CC)CC1=CC=C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029905781	0	54	0.0	-68.01	420.99	4.58	-63.43
C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029905786	0	54	0.0	-64.37	419.45	4.97	-59.40
C[C@@H]1CN(C(=O)C[N@H+](C)CC2=CC=CC=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029905789	1	51	0.0	-63.10	404.75	5.19	-57.91
C[C@@H]1CN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029905789	1	51	0.0	-64.49	404.81	5.26	-59.23
C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029905807	0	48	0.0	-67.82	368.35	2.98	-64.84
C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029905893	0	45	0.0	-59.36	348.74	2.42	-56.94
C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029905893	1	45	0.0	-63.91	347.54	2.19	-61.72
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029905916	1	47	0.0	-55.00	373.31	3.32	-51.68
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029905916	1	47	0.0	-57.07	377.84	3.70	-53.37
C[C@@H]1CN(C(=O)CCC2CCC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029905928	0	51	0.0	-67.34	392.41	4.14	-63.20
C[C@@H]1CN(C(=O)CCC2CCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029905928	1	51	0.0	-63.74	389.90	3.65	-60.09
C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029905945	0	52	0.0	-65.92	375.11	3.39	-62.53
C[C@@H]1CN(C(=O)C2CCC3CCCC[N@@H+]32)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029905953	0	52	0.0	-56.03	392.17	4.39	-51.64
C[C@@H]1CN(C(=O)C2CCC3CCCC[N@H+]32)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029905953	1	52	0.0	-60.48	388.44	4.14	-56.34
CCC[N@@H+]1CCCC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029906071	0	54	0.0	-66.24	412.53	4.60	-61.64
CCC[N@H+]1CCCC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029906071	1	54	0.0	-60.98	407.45	4.34	-56.64
C[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906084	0	58	0.0	-58.91	422.03	5.94	-52.97
C[C@@H]1CN(C(=O)C2CCCC[N@H+]2C2CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906084	1	58	0.0	-59.13	417.25	5.24	-53.89
CC(C)[N@@H+]1CCOC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029906097	1	52	0.0	-57.34	388.72	3.00	-54.34
CC(C)[N@H+]1CCOC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029906097	1	52	0.0	-67.46	388.71	2.94	-64.52
C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906121	0	55	0.0	-55.97	402.94	2.23	-53.74
C[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906144	0	48	0.0	-62.21	368.38	3.20	-59.01
C[C@@H]1CN(C(=O)C2CCCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906144	1	48	0.0	-62.65	360.43	2.87	-59.78
CC(C)C[N@@H+]1CCCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029906182	0	54	0.0	-61.72	400.46	4.96	-56.76
CC(C)C[N@H+]1CCCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029906182	1	54	0.0	-60.34	409.67	4.72	-55.62
C[C@@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906205	0	52	0.0	-64.05	402.34	0.84	-63.21
C[C@@H]1CN(C(=O)C=C2CC3CCC(C2)[NH+]3C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906254	0	53	0.0	-65.96	401.34	4.62	-61.34
CC1C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029906276	0	48	0.0	-66.31	369.76	3.22	-63.09
CC1C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029906276	1	48	0.0	-67.19	365.21	3.00	-64.19
C[C@@H]1CN(C(=O)CCC2CCCC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906280	0	54	0.0	-63.53	409.08	4.55	-58.98
C[C@@H]1CN(C(=O)CCC2CCCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906280	1	54	0.0	-65.90	402.02	4.35	-61.55
C[C@@H]1CN(C(=O)C2=CC3=C(CCC3)[NH+]=C2N)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906327	1	48	0.0	-55.06	381.42	2.41	-52.65
C[C@@H]1CN(C(=O)C2CC[N@@H+]2C(C)(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906425	0	51	0.0	-56.82	388.62	3.35	-53.47
C[C@@H]1CN(C(=O)C2CC[N@H+]2C(C)(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906425	1	51	0.0	-58.65	368.16	2.80	-55.85
C[C@@H]1CN(C(=O)C2CCN(C3=CC=[NH+]C=C3)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906447	0	51	0.0	-68.16	400.76	2.08	-66.08
C[C@@H](C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029906453	0	44	0.0	-57.79	344.80	1.98	-55.81
C[C@@H]1CN(C(=O)C2=CC=NC(C[NH+](C)C)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906476	1	50	0.0	-67.60	397.02	2.87	-64.73
C=CCC(C)(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029906482	0	51	0.0	-64.00	371.34	3.35	-60.65
CC[NH+](CC)CCSCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029906521	0	54	0.0	-66.13	430.69	4.95	-61.18
C[C@@H]1CN(C(=O)C2=C(N)C3=CC=CC=C3[NH+]=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906522	1	47	0.0	-54.96	379.89	1.88	-53.08
C[C@@H]1CN(C(=O)CC[NH+]2CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906527	0	48	0.0	-64.34	376.23	3.37	-60.97
C[C@@H]1CN(C(=O)C[N@H+](C)CCO)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906537	1	45	0.0	-59.98	356.17	-0.98	-60.96
C[C@@H]1CN(C(=O)C[N@@H+](C)CCO)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906537	1	45	0.0	-63.78	356.81	-0.85	-64.63
C[C@@H]1CN(C(=O)C2C[N@@H+]3CCN2CCC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906588	0	51	0.0	-60.31	370.55	1.09	-59.22
C[C@@H]1CN(C(=O)C2C[N@H+]3CCN2CCC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906588	1	51	0.0	-73.53	370.93	1.17	-72.36
CC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300029906636	1	49	0.0	-63.05	386.83	3.64	-59.41
C[C@@H]1CN(C(=O)CC2=CC[N@H+](C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906697	0	49	0.0	-64.38	387.25	3.98	-60.40
C[C@@H]1CN(C(=O)CC2=CC[N@@H+](C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906697	1	49	0.0	-63.23	387.26	3.98	-59.25
C[C@@H]1CN(C(=O)C2CC(=O)N(C3C[NH+](C)C3)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906711	1	53	0.0	-68.73	412.91	2.19	-66.54
C[C@@H]1CN(C(=O)C(O)CC[S+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906719	0	47	0.0	-81.75	389.35	1.11	-80.64
C[C@@H]1CN(C(=O)C2(C)CC(O)C[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906753	0	49	0.0	-64.25	370.20	-0.88	-65.13
C[C@@H]1CN(C(=O)C2(C)CC(O)C[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906753	1	49	0.0	-62.10	369.73	-0.72	-62.82
C[C@@H]1CN(C(=O)C2CN(C)CC[N@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906772	0	53	0.0	-64.64	399.18	1.51	-63.13
C[C@@H]1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906772	1	53	0.0	-62.46	400.04	1.62	-60.84
CC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300029906773	0	52	0.0	-58.66	396.96	0.75	-57.91
CC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300029906773	1	52	0.0	-60.92	398.74	0.60	-60.32
C[C@@H]1CN(C(=O)C2=C(N)[NH+]=CC3=C2CCC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906811	0	48	0.0	-63.25	389.07	2.43	-60.82
C[C@@H]1CN(C(=O)CC2(O)CCC[N@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906821	0	52	0.0	-65.10	386.55	2.05	-63.05
C[C@@H]1CN(C(=O)CC2(O)CCC[N@@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906821	1	52	0.0	-64.24	396.38	2.17	-62.07
CC1C[NH+](CC(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029906828	1	45	0.0	-60.90	359.43	2.75	-58.15
CC[N@@H+]1CCCC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029906837	0	51	0.0	-58.16	379.78	3.76	-54.40
CC[N@H+]1CCCC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029906837	1	51	0.0	-60.57	385.95	3.59	-56.98
C[C@@H]1CN(C(=O)CC2=CC=C[NH+]=C2N)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906854	0	44	0.0	-61.23	362.34	1.42	-59.81
C[C@@H]1CN(C(=O)C2CCC[N@@H+]2C2CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906870	0	49	0.0	-54.14	377.06	3.41	-50.73
C[C@@H]1CN(C(=O)C2CCC[N@H+]2C2CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906870	1	49	0.0	-56.24	377.88	3.82	-52.42
C[C@@H]1CN(C(=O)C2CCC2[N@@H+]2CCOC(C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906907	0	56	0.0	-64.83	425.94	3.59	-61.24
C[C@@H]1CN(C(=O)C2CCC2[N@H+]2CCOC(C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906907	1	56	0.0	-57.09	414.90	3.82	-53.27
C[C@@H]1CN(C(=O)C2=CC=C(C[NH+]3CCCC3)O2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906930	0	52	0.0	-68.06	414.96	4.59	-63.47
C[C@@H]1CN(C(=O)C=CC[NH+]2CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906937	0	49	0.0	-66.23	389.09	3.99	-62.24
C[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906972	0	52	0.0	-72.96	401.63	4.65	-68.31
CC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029907035	0	44	0.0	-59.96	345.81	2.25	-57.71
C[C@@H]1CN(C(=O)CN2CC3C=CC2C3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907120	0	47	0.0	-58.37	367.60	3.58	-54.79
C[C@@H]1CN(C(=O)C[N@@H+]2CC3C=CC2C3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907120	1	47	0.0	-56.32	367.73	3.45	-52.87
C[C@@H]1CN(C(=O)C[N@H+]2CC3C=CC2C3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907120	1	47	0.0	-56.32	367.73	3.45	-52.87
CC1=CC=C(NCCC(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)N=C1	REAL300029907147	0	50	0.0	-59.18	406.96	3.02	-56.16
CC1=CC=C(NCCC(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)[NH+]=C1	REAL300029907147	1	50	0.0	-59.18	406.96	3.02	-56.16
C[C@@H]1CN(C(=O)C2(C[NH+]3CCCC3)CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907207	0	58	0.0	-70.01	417.03	5.77	-64.24
C[C@@H]1CN(C(=O)C23CCC[N@@H+]2CCCC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907310	0	52	0.0	-56.69	377.47	3.51	-53.18
C[C@@H]1CN(C(=O)C23CCC[N@H+]2CCCC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907310	1	52	0.0	-56.69	377.47	3.51	-53.18
C[C@@H]1CN(C(=O)C23CCC[N@@H+]2CC=CC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907322	0	50	0.0	-57.08	368.50	3.33	-53.75
C[C@@H]1CN(C(=O)C23CCC[N@H+]2CC=CC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907322	1	50	0.0	-57.08	368.50	3.33	-53.75
CC(OCC[NH+](C)C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029907338	0	51	0.0	-64.50	399.27	3.15	-61.35
C[C@@H]1CN(C(=O)CCOCC[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907352	0	51	0.0	-64.20	405.75	2.51	-61.69
COCCN(C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029907354	0	48	0.0	-63.88	379.06	1.55	-62.33
COCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029907354	1	48	0.0	-59.85	378.42	1.42	-58.43
COCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029907354	1	48	0.0	-59.85	378.42	1.42	-58.43
CC(CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029907363	0	50	0.0	-65.14	382.58	3.44	-61.70
CC[N@H+](CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029907409	0	48	0.0	-61.24	370.22	3.64	-57.60
C[C@@H]1CN(C(=O)C2C[N@@H+]3CCN2C(C)C3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907430	0	51	0.0	-63.09	377.56	0.39	-62.70
C[C@@H]1CN(C(=O)C23CC(C2)C[N@@H+]3C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907473	0	46	0.0	-63.13	356.26	2.46	-60.67
CC1=NC(N)=CC=C1C=CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029907487	0	48	0.0	-62.52	392.15	2.27	-60.25
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029907487	1	48	0.0	-62.52	392.15	2.27	-60.25
CC1=C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C=NN1CC[NH+](C)C	REAL300029907494	0	54	0.0	-74.96	423.76	3.30	-71.66
C[C@@H]1CN(C(=O)C[N@@H+]2CC3CCC2C3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907497	0	49	0.0	-60.53	375.97	3.87	-56.66
C[C@@H]1CN(C(=O)C[N@H+]2CC3CCC2C3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907497	1	49	0.0	-60.53	375.97	3.87	-56.66
CC(C)[NH+]1CCC(CC(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029907518	0	57	0.0	-59.29	425.64	5.18	-54.11
CC(C[NH+](C)C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029907535	0	47	0.0	-62.28	362.20	2.56	-59.72
C[C@@H]1CN(C(=O)C2C[N@H+](C)CC2C(F)(F)F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907554	0	48	0.0	-69.98	375.92	3.93	-66.05
C[C@@H]1CN(C(=O)C2C[N@@H+](C)CC2C(F)(F)F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907554	1	48	0.0	-69.98	375.92	3.93	-66.05
CCN1CCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029907606	0	45	0.0	-62.50	360.53	2.67	-59.83
CC[N@@H+]1CCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029907606	1	45	0.0	-59.82	352.21	2.27	-57.55
CC[N@H+]1CCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029907606	1	45	0.0	-59.82	352.21	2.27	-57.55
CC(C)[N@@H+]1CCCC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029907627	0	54	0.0	-59.63	402.60	4.11	-55.52
CC(C)[N@H+]1CCCC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029907627	1	54	0.0	-59.63	402.60	4.11	-55.52
C[C@@H]1CN(C(=O)C2CCN(C3=NC=CN3C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907629	0	52	0.0	-59.90	408.91	3.97	-55.93
C[C@@H]1CN(C(=O)C2CCN(C3=[NH+]C=CN3C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907629	1	52	0.0	-59.90	408.91	3.97	-55.93
CCC(C)(C)[NH2+]C(C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029907658	0	53	0.0	-59.51	392.11	2.17	-57.34
C#CCN1CCCCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029907723	0	50	0.0	-59.19	386.67	4.18	-55.01
C#CC[N@H+]1CCCCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029907723	1	50	0.0	-62.44	386.27	4.13	-58.31
C#CC[N@@H+]1CCCCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029907723	1	50	0.0	-62.44	386.27	4.13	-58.31
CNC1=NC(C)=CC=C1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029907727	0	47	0.0	-58.06	378.45	2.29	-55.77
CNC1=[NH+]C(C)=CC=C1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029907727	1	47	0.0	-58.06	378.45	2.29	-55.77
CCCC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029907746	0	50	0.0	-62.89	379.65	3.39	-59.50
C[C@@H]1CN(C(=O)C(C)(C)[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907756	0	47	0.0	-59.48	346.23	2.48	-57.00
CC(CC[NH+](C)C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029907787	0	50	0.0	-64.07	383.84	3.19	-60.88
C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907860	0	55	0.0	-60.87	394.10	4.08	-56.79
C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907860	1	55	0.0	-63.19	403.04	5.07	-58.12
C[C@@H]1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907901	0	50	0.0	-51.98	383.30	4.01	-47.97
C[C@@H]1CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907901	1	50	0.0	-58.98	377.66	4.79	-54.19
COCCCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029907958	0	57	0.0	-66.37	444.89	3.45	-62.92
COCCCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029907958	1	57	0.0	-66.66	444.89	3.43	-63.23
C[C@@H]1CN(C(=O)C23CCC([NH+](C)C)(CC2)CC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907964	0	58	0.0	-68.85	408.16	4.29	-64.56
C[C@@H]1CN(C(=O)C2CC(C)(C)C[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907973	0	51	0.0	-61.37	389.54	3.65	-57.72
C[C@@H]1CN(C(=O)C2CC(C)(C)C[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907973	1	51	0.0	-62.09	386.69	3.27	-58.82
C[C@@H]1CN(C(=O)CCCCC[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907979	0	53	0.0	-66.45	414.87	4.56	-61.89
C[C@@H]1CN(C(=O)CC[NH+]2CCC(O)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907985	0	52	0.0	-68.51	404.04	0.83	-67.68
CCC[N@@H+]1CCCCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029907991	0	54	0.0	-62.46	400.25	4.33	-58.13
CCC[N@H+]1CCCCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029907991	1	54	0.0	-56.47	396.07	4.07	-52.40
CC[NH+]1CCN(CCC(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029908001	0	56	0.0	-66.77	425.54	2.14	-64.63
CCN1CC[NH+](CCC(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029908001	1	56	0.0	-62.47	426.62	2.31	-60.16
C[C@@H]1CN(C(=O)CN2CC[NH+](C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908005	1	50	0.0	-65.36	387.94	1.18	-64.18
CC(C)C[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029908163	0	57	0.0	-77.15	425.81	5.17	-71.98
C[C@@H]1CN(C(=O)C2C[N@H+](C)CC(C)O2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908167	1	49	0.0	-73.46	375.45	2.60	-70.86
C[C@@H]1CN(C(=O)C2C[N@@H+](C)CC(C)O2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908167	1	49	0.0	-74.90	374.95	2.22	-72.68
CCC1CCC[N@H+](CC(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029908213	0	54	0.0	-62.29	402.88	4.75	-57.54
CCC1CCC[N@@H+](CC(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029908213	1	54	0.0	-59.45	402.09	4.67	-54.78
C[C@@H]1CN(C(=O)C2=CC=C(C[NH+](C)C)N2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908225	0	49	0.0	-68.21	389.97	3.29	-64.92
C[C@@H]1CN(C(=O)C[NH+]2CC3CC3C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908251	0	46	0.0	-62.69	363.76	3.56	-59.13
C[C@@H]1CN(C(=O)CC2([NH+]3CCCC3)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908276	0	52	0.0	-59.19	393.27	4.43	-54.76
CC([NH2+]C1(CO)CCCC1)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029908302	0	55	0.0	-59.11	406.45	-0.59	-59.70
C[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908343	0	48	0.0	-62.21	368.38	3.20	-59.01
C[C@@H]1CN(C(=O)C2CCCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908343	1	48	0.0	-62.65	360.43	2.87	-59.78
C[C@@H]1CN(C(=O)C2CC[N@@H+]2CC2=CC=CC=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908352	1	52	0.0	-60.60	409.53	5.19	-55.41
C[C@@H]1CN(C(=O)C2CC[N@H+]2CC2=CC=CC=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908352	1	52	0.0	-65.25	420.34	5.71	-59.54
CC(C)C[N@@H+]1CCCC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029908359	0	57	0.0	-64.26	429.37	5.21	-59.05
CC(C)C[N@H+]1CCCC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029908359	1	57	0.0	-58.51	419.31	5.42	-53.09
C[C@@H]1CN(C(=O)CN2CCC([NH+](C)C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908445	0	56	0.0	-66.63	422.67	2.40	-64.23
C[C@@H]1CN(C(=O)C=C2CC[N@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908538	0	46	0.0	-67.16	364.97	3.19	-63.97
C[C@@H]1CN(C(=O)C=C2CC[N@@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908538	1	46	0.0	-66.49	366.08	3.15	-63.34
C[C@@H]1CN(C(=O)CNC2=CC=[NH+]C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908546	0	44	0.0	-64.22	364.59	1.01	-63.21
CC[NH+]1CCN(CC(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029908624	0	53	0.0	-64.26	404.88	1.76	-62.50
C[C@@H]1CN(C(=O)C=C2C[NH+]3CCC2CC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908629	0	50	0.0	-64.07	384.57	4.08	-59.99
C[C@@H]1CN(C(=O)C2([NH+](C)C)CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908689	0	51	0.0	-63.61	362.87	2.87	-60.74
C[C@@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908706	0	52	0.0	-62.28	399.96	0.95	-61.33
C[C@@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908706	1	52	0.0	-58.29	399.11	0.80	-57.49
CCC1C[NH+](CC(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029908714	0	48	0.0	-61.89	380.58	3.47	-58.42
C[C@@H]1CN(C(=O)C2C[NH+](C3CCOCC3)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908718	0	53	0.0	-67.95	411.30	2.65	-65.30
C[C@@H]1CN(C(=O)C2([NH+]3CCCC3)CCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908721	0	52	0.0	-63.07	381.68	4.04	-59.03
C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908739	0	45	0.0	-59.92	347.48	2.22	-57.70
C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908739	1	45	0.0	-60.49	350.99	2.61	-57.88
CC[N@@H+]1CCOCC1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029908784	0	52	0.0	-65.26	391.52	1.91	-63.35
C[C@@H]1CN(C(=O)C2=CC(=O)NC3=C2CCC[NH2+]3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908793	0	49	0.0	-87.21	396.47	1.18	-86.03
C[C@@H]1CN(C(=O)C2C[NH+](C3CCCCC3)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908818	0	55	0.0	-65.39	419.82	4.99	-60.40
COC1C[N@@H+]2CCCC2(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029908840	0	53	0.0	-61.65	397.82	2.15	-59.50
COC1C[N@H+]2CCCC2(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029908840	1	53	0.0	-61.65	397.82	2.15	-59.50
C[C@@H]1CN(C(=O)CCC2=CC=C(N)[NH+]=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908855	0	47	0.0	-62.42	387.95	2.21	-60.21
C[C@@H]1CN(C(=O)CC2=CC3=C[NH+]=CN3C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908863	0	46	0.0	-65.08	382.50	5.81	-59.27
C[C@@H]1CN(C(=O)C2=CC=C3NC(N)=[NH+]C3=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908924	1	45	0.0	-63.90	368.54	2.44	-61.46
C[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908987	0	48	0.0	-62.83	378.41	3.41	-59.42
C[C@@H]1CN(C(=O)C2(CC[NH+](C)C)CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909003	0	57	0.0	-47.54	420.72	4.66	-42.88
C[C@@H]1CN(C(=O)CC[NH+]2C(C)CCCC2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909005	0	57	0.0	-61.50	419.16	4.82	-56.68
C[C@@H]1CN(C(=O)C2CCC([NH+](C)C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909008	0	54	0.0	-68.38	402.62	4.11	-64.27
C[C@@H]1CN(C(=O)C2(CC[NH+](C)C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909009	0	51	0.0	-57.67	398.98	4.09	-53.58
C[C@@H]1CN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909014	0	54	0.0	-69.95	396.48	4.07	-65.88
C[C@@H]1CN(C(=O)CC2CC=CC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909015	0	49	0.0	-64.75	379.00	3.68	-61.07
C[C@@H]1CN(C(=O)CC2CC=CC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909015	1	49	0.0	-64.75	379.00	3.68	-61.07
CC1=CC(C=CC(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CN=C1N	REAL300029909095	0	48	0.0	-63.52	392.36	2.58	-60.94
CC1=CC(C=CC(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C[NH+]=C1N	REAL300029909095	1	48	0.0	-63.52	392.36	2.58	-60.94
C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909112	0	48	0.0	-65.17	383.96	2.73	-62.44
CCCCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029909120	0	56	0.0	-64.02	432.72	5.14	-58.88
CCCCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029909120	1	56	0.0	-64.02	432.72	5.14	-58.88
C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909137	0	52	0.0	-66.47	404.15	3.55	-62.92
C[C@@H]1CN(C(=O)CN2C=CSC2=[NH2+])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909174	0	41	0.0	-55.09	355.17	1.78	-53.31
C[C@@H](OCC[NH+](C)C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029909296	0	51	0.0	-65.40	399.71	3.23	-62.17
C[C@@H]1CN(C(=O)C2(C3(O)CC[NH+](C)CC3)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909301	0	56	0.0	-77.20	415.99	2.12	-75.08
C[C@@H]1CN(C(=O)CC[NH+]2CCCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909394	0	54	0.0	-65.20	402.84	4.36	-60.84
C[C@@H]1CN(C(=O)C[NH+]2CCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909400	0	48	0.0	-59.21	369.84	3.47	-55.74
C[C@@H]1CN(C(=O)C2CCC[N@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909402	0	48	0.0	-68.54	362.73	3.01	-65.53
C[C@@H]1CN(C(=O)C2CCC[N@@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909402	1	48	0.0	-64.66	371.87	3.10	-61.56
C[C@@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909404	0	52	0.0	-64.05	402.34	0.84	-63.21
C[C@@H]1CN(C(=O)C[NH+]2CCCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909410	0	51	0.0	-60.95	379.21	3.68	-57.27
C[C@@H]1CN(C(=O)C[N+]2=CN(C)C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909417	0	43	0.0	-60.51	359.33	5.11	-55.40
C[C@@H]1CN(C(=O)C(C)(C)C2CCC[N@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909440	0	57	0.0	-71.67	411.53	4.25	-67.42
C[C@@H]1CN(C(=O)C(C)(C)C2CCC[N@@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909440	1	57	0.0	-73.47	403.49	3.62	-69.85
C[C@@H]1CN(C(=O)C2=CC=C(C[NH+](C)C)O2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909446	1	48	0.0	-70.37	389.67	3.49	-66.88
C[C@@H]1CN(C(=O)C2=CC=C(C[NH+](C)C)N=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909456	0	50	0.0	-67.98	396.54	3.29	-64.69
C[C@@H]1CN(C(=O)C[NH+]2CCC(O)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909480	1	49	0.0	-66.10	382.09	0.21	-65.89
C[C@@H]1CN(C(=O)C[N@@H+](C)C2CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909488	1	45	0.0	-60.86	358.23	3.13	-57.73
CC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300029909490	1	53	0.0	-64.90	397.82	1.26	-63.64
C[C@@H]1CN(C(=O)CC[N@H+]2CCC(F)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909498	1	48	0.0	-69.39	383.07	3.50	-65.89
COC1C[N@@H+](C)C(C)(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029909517	1	52	0.0	-61.77	390.60	1.38	-60.39
C[C@@H]1CN(C(=O)C2=CC=CC(CC[NH+](C)C)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909540	0	54	0.0	-65.86	424.96	5.52	-60.34
CC(CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029909547	0	50	0.0	-65.20	385.38	3.64	-61.56
C[C@@H]1CN(C(=O)C2CC[N@@H+]3CCOCC23)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909574	0	50	0.0	-62.81	379.27	1.90	-60.91
C[C@@H]1CN(C(=O)C2CC[N@H+]3CCOCC23)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909574	1	50	0.0	-62.51	382.96	1.79	-60.72
CC1=[NH+]C=C2C=CC(C(=O)N3C[C@@H](C)[C@@H](NC(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300029909584	0	46	0.0	-59.16	384.61	4.91	-54.25
C[C@@H]1CN(C(=O)CC2COCCN2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909610	0	49	0.0	-69.22	379.63	1.55	-67.67
C[C@@H]1CN(C(=O)CC2COCC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909610	1	49	0.0	-68.65	379.46	1.60	-67.05
C[C@@H]1CN(C(=O)CC2COCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909610	1	49	0.0	-69.22	379.63	1.55	-67.67
C[C@@H]1CN(C(=O)C(C[NH+](C)C)C2=CC=CC=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909622	0	54	0.0	-67.63	425.01	5.54	-62.09
CC[NH+]1CCN(CC(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029909628	0	53	0.0	-64.26	404.88	1.76	-62.50
CC1=CC(N)=[NH+]C=C1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029909711	1	44	0.0	-65.40	358.23	0.96	-64.44
C[C@@H]1CN(C(=O)CCC2=CC=C(N)[NH+]=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909714	0	47	0.0	-62.42	387.95	2.21	-60.21
C[C@@H]1CN(C(=O)C2(CC[NH+]3CCCCC3)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909747	0	58	0.0	-71.00	441.30	5.88	-65.12
C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(O)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909789	1	49	0.0	-61.94	385.03	0.11	-61.83
C[C@@H]1CN(C(=O)C2=CC=NN2CC[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909800	0	51	0.0	-63.76	402.12	2.89	-60.87
C[C@@H]1CN(C(=O)CC2C[NH+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909843	0	45	0.0	-64.95	360.01	2.52	-62.43
C[C@@H]1CN(C(=O)C2CC[N@@H+]2C2CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909849	0	52	0.0	-59.19	399.82	4.51	-54.68
C[C@@H]1CN(C(=O)C2CC[N@H+]2C2CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909849	1	52	0.0	-61.32	392.87	4.14	-57.18
C[C@@H]1CN(C(=O)CC[N@H+](C)CCO)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909909	0	48	0.0	-63.66	378.57	-0.39	-64.05
C[C@@H]1CN(C(=O)CC[N@@H+](C)CCO)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909909	1	48	0.0	-61.49	378.53	-0.40	-61.89
C[C@@H](C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029909910	0	44	0.0	-57.79	344.80	1.98	-55.81
C[C@@H]1CN(C(=O)CC2CCCC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909938	0	51	0.0	-59.77	380.68	3.77	-56.00
C[C@@H]1CN(C(=O)CC2CCCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909938	1	51	0.0	-66.22	388.06	3.95	-62.27
CC1=C2C=C(C(=O)N3C[C@@H](C)[C@@H](NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029909973	1	46	0.0	-66.39	385.62	5.66	-60.73
CC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300029909974	0	48	0.0	-58.55	372.79	3.04	-55.51
CC1CC[N@@H+]1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029909980	1	45	0.0	-60.71	359.47	2.75	-57.96
CC1CC[N@H+]1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029909980	1	45	0.0	-61.15	355.15	2.63	-58.52
C[C@@H]1CN(C(=O)C=CC[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910001	0	45	0.0	-65.58	364.49	2.89	-62.69
C[C@@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910019	1	48	0.0	-63.03	379.43	3.28	-59.75
C[C@@H]1CN(C(=O)CCCC[NH+]2CCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910034	0	57	0.0	-64.30	435.09	5.64	-58.66
CC1=C(C)[NH+]=C(CCC(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029910051	1	49	0.0	-57.14	398.36	2.90	-54.24
C[C@@H]1CN(C(=O)C2=CC3=C(C[N@H+](C)CC3)S2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910052	1	49	0.0	-81.43	397.31	4.43	-77.00
C[C@@H]1CN(C(=O)C2=CC3=C(C[N@@H+](C)CC3)S2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910052	1	49	0.0	-81.19	397.26	4.39	-76.80
C[C@@H]1CN(C(=O)C2(C3CC[NH+](C)CC3)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910066	0	55	0.0	-73.53	413.63	4.98	-68.55
CC1=C2C=C(C(=O)N3C[C@@H](C)[C@@H](NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029910077	1	46	0.0	-66.39	385.62	5.66	-60.73
C[C@@H]1CN(C(=O)CSCC[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910093	0	48	0.0	-68.63	394.99	3.59	-65.04
CC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300029910115	0	54	0.0	-62.32	423.06	5.63	-56.69
CC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300029910115	1	54	0.0	-57.16	421.67	5.56	-51.60
C[C@@H]1CN(C(=O)C2=CC3=C(CCCC3)[NH+]=C2N)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910119	1	51	0.0	-54.81	398.53	2.95	-51.86
C[C@@H]1CN(C(=O)C[N@@H+]2CCCC2CO)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910128	0	49	0.0	-61.80	382.91	0.25	-61.55
C[C@@H]1CN(C(=O)C[N@H+]2CCCC2CO)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910128	1	49	0.0	-58.91	374.88	0.25	-58.66
CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029910131	0	47	0.0	-61.59	360.21	2.82	-58.77
C[C@@H]1CN(C(=O)C[N@H+](C)C2CCSC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910148	0	49	0.0	-66.96	388.26	3.92	-63.04
C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCSC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910148	1	49	0.0	-67.68	388.27	3.92	-63.76
C[C@@H]1CN(C(=O)C[NH+]2CCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910150	1	42	0.0	-61.66	338.26	2.08	-59.58
CC[NH+](CC)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029910218	0	50	0.0	-61.25	381.59	3.25	-58.00
C[C@@H]1CN(C(=O)C[NH+]2CCC(C(N)=O)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910244	0	52	0.0	-67.16	405.75	0.13	-67.03
C[C@@H]1CN(C(=O)C2=CC(C[NH+](C)C)=CN2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910308	0	49	0.0	-69.52	389.74	3.10	-66.42
CC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300029910334	0	52	0.0	-62.41	397.66	0.54	-61.87
C[C@@H]1CN(C(=O)C2CC3COCC[N@@H+]3C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910343	0	50	0.0	-60.22	382.28	1.86	-58.36
C[C@@H]1CN(C(=O)C2CC3COCC[N@H+]3C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910343	1	50	0.0	-63.58	382.66	1.86	-61.72
CC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029910365	1	45	0.0	-58.50	351.88	2.43	-56.07
CCC(CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029910379	0	53	0.0	-68.60	403.48	4.23	-64.37
C[C@@H]1CN(C(=O)C=CC2=CC=C(N)[NH+]=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910388	0	45	0.0	-64.39	374.53	1.81	-62.58
C[C@@H]1CN(C(=O)C(C)(C)C[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910389	0	50	0.0	-59.15	365.84	2.83	-56.32
C[C@@H]1CN(C(=O)CC(C2=CC=CC=C2)[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910436	0	54	0.0	-68.82	418.74	5.77	-63.05
C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910479	0	48	0.0	-61.54	369.18	3.29	-58.25
C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910479	1	48	0.0	-65.28	361.36	2.93	-62.35
C[C@@H]1CN(C(=O)C2C[N@@H+]3CCN2CC3C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910497	0	51	0.0	-69.09	377.51	0.30	-68.79
C[C@@H]1CN(C(=O)C2C[N@H+]3CCN2CC3C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910497	1	51	0.0	-61.64	377.40	0.38	-61.26
C[C@@H]1CN(C(=O)CC(O)C[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910533	0	48	0.0	-69.60	381.47	0.80	-68.80
C[C@@H]1CN(C(=O)C2CC3CCC(C2)[NH+]3C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910536	0	52	0.0	-64.34	363.66	3.54	-60.80
C#CC1(O)CC[NH+](C(C)C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029910578	0	54	0.0	-61.96	413.06	1.29	-60.67
C=CCC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029910593	0	48	0.0	-55.32	369.91	2.98	-52.34
C[C@@H]1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910609	0	52	0.0	-60.57	392.52	4.33	-56.24
C[C@@H]1CN(C(=O)C2CC3CCCC[N@H+]3C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910609	1	52	0.0	-60.87	393.44	4.27	-56.60
C[C@@H]1CN(C(=O)C2(C)CC[NH+](C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910627	0	51	0.0	-67.63	375.74	3.25	-64.38
C[C@@H]1CN(C(=O)CC2(O)CC[NH+](C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910633	0	52	0.0	-68.53	399.44	2.03	-66.50
COCC[N@@H+]1CCCC1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029910652	0	55	0.0	-55.96	418.73	3.59	-52.37
COCC[N@H+]1CCCC1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029910652	1	55	0.0	-63.09	420.79	2.75	-60.34
C[C@@H]1CN(C(=O)CC2CC3CCC(C2)[NH+]3C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910668	0	55	0.0	-59.84	406.68	4.57	-55.27
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=NN1CC[NH+](C)C	REAL300029910713	0	51	0.0	-67.42	404.97	2.98	-64.44
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC2=C(C[N@H+](C)CC2)S1	REAL300029910755	1	49	0.0	-77.10	399.26	4.55	-72.55
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC2=C(C[N@@H+](C)CC2)S1	REAL300029910755	1	49	0.0	-80.26	400.11	4.61	-75.65
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(C2CC[NH+](C)CC2)CC1	REAL300029910767	0	55	0.0	-65.79	413.33	5.31	-60.48
CC1=C2C=C(C(=O)N[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C)C=CN2C=[NH+]1	REAL300029910780	1	46	0.0	-74.36	378.29	5.69	-68.67
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CSCC[NH+](C)C	REAL300029910795	0	48	0.0	-73.54	392.06	3.43	-70.11
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC2COCC[N@@H+]2C1	REAL300029910807	0	50	0.0	-67.65	383.97	1.86	-65.79
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC2COCC[N@H+]2C1	REAL300029910807	1	50	0.0	-72.28	384.66	1.90	-70.38
C[N@@H+]1CCCC1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029910972	0	52	0.0	-72.41	378.06	4.57	-67.84
C[N@H+]1CCCC1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029910972	1	52	0.0	-71.02	380.93	4.73	-66.29
C[N@@H+]1CCOC(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029910996	1	53	0.0	-88.94	393.68	4.30	-84.64
C[N@H+]1CCOC(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029910996	1	53	0.0	-89.16	392.98	4.16	-85.00
CC(C)[N@@H+]1CCCC1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029911152	0	58	0.0	-70.24	415.07	5.93	-64.31
CC(C)[N@H+]1CCCC1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029911152	1	58	0.0	-70.15	414.76	5.81	-64.34
CC1=[NH+]C=CN1CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029911185	1	50	0.0	-70.27	387.81	5.50	-64.77
O=C(C1=CC(=O)[N-]O1)N1CCC2CCN(C(=O)C3C[NH+]4CCC3CC4)CC2C1	REAL300029911213	0	56	0.0	-86.25	397.03	5.55	-80.70
C[C@@H]1[C@H](C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC[N@@H+]1C	REAL300029911247	0	55	0.0	-82.03	394.84	4.88	-77.15
C[C@@H]1[C@H](C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC[N@H+]1C	REAL300029911247	1	55	0.0	-79.09	399.33	5.79	-73.30
CC[C@@H]1[C@@H](C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC[N@@H+]1C	REAL300029911249	0	58	0.0	-76.78	416.83	5.58	-71.20
CC[C@@H]1[C@@H](C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC[N@H+]1C	REAL300029911249	1	58	0.0	-76.39	417.07	6.01	-70.38
CC[N@@H+]1CCOC(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029911256	1	56	0.0	-68.23	411.18	4.92	-63.31
CC[N@H+]1CCOC(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029911256	1	56	0.0	-86.20	409.42	4.78	-81.42
CC[NH+](CC)CC(F)C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029911284	0	57	0.0	-83.03	418.18	5.70	-77.33
CC1CCC(C)[NH+]1CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029911320	0	58	0.0	-70.43	416.52	5.81	-64.62
O=C(CCC[NH+]1CCCC1)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029911323	0	58	0.0	-76.92	429.43	6.61	-70.31
O=C(CC[NH+]1CCCCC1)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029911326	0	58	0.0	-76.52	423.38	6.40	-70.12
CC[N@@H+]1CCCCC1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029911329	0	58	0.0	-70.36	406.18	5.68	-64.68
CC[N@H+]1CCCCC1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029911329	1	58	0.0	-74.28	409.84	5.91	-68.37
C[NH+](C)C1(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CCC1	REAL300029911340	0	55	0.0	-76.17	382.93	4.82	-71.35
CC(C)[C@@H](C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029911347	0	57	0.0	-72.23	400.89	5.44	-66.79
C[N@H+](CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1CCC1	REAL300029911372	0	55	0.0	-71.65	405.69	6.01	-65.64
C[N@@H+](CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1CCC1	REAL300029911372	1	55	0.0	-72.42	405.82	6.01	-66.41
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029911448	1	54	0.0	-70.35	404.50	5.73	-64.62
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029911448	1	54	0.0	-71.73	408.29	6.14	-65.59
C[N@@H+]1CCCC1CCC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029911453	0	58	0.0	-80.33	426.90	6.50	-73.83
C[N@H+]1CCCC1CCC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029911453	1	58	0.0	-75.54	421.24	5.99	-69.55
C[NH+]1CCC(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029911473	0	55	0.0	-81.60	403.65	5.47	-76.13
C[N@@H+]1CCCCC1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029911512	0	55	0.0	-76.66	391.62	5.24	-71.42
C[N@H+]1CCCCC1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029911512	1	55	0.0	-71.35	399.32	5.48	-65.87
O=C(C1=CC(=O)[N-]O1)N1CCC2CCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)CC2C1	REAL300029911582	0	50	0.0	-82.20	394.05	7.30	-74.90
O=C(CC[NH+]1CCOCC1)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029911589	1	56	0.0	-79.92	414.88	4.10	-75.82
CC1=C[NH+]=CN1CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029911602	1	50	0.0	-74.46	388.12	6.23	-68.23
O=C(C1=CC(=O)[N-]O1)N1CCC2CCN(C(=O)C34CCC[NH+]3CCC4)CC2C1	REAL300029911623	0	56	0.0	-69.66	395.84	5.23	-64.43
C[N@@H+]1CCC(CC(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029911634	0	55	0.0	-79.15	405.78	5.55	-73.60
C[N@H+]1CCC(CC(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029911634	1	55	0.0	-77.44	405.90	5.70	-71.74
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029911640	0	54	0.0	-62.25	411.20	3.85	-58.40
CCC(C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029911642	0	54	0.0	-70.62	384.93	4.76	-65.86
O=C(C1=CC(=O)[N-]O1)N1CCC2CCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)CC2C1	REAL300029911669	1	50	0.0	-83.06	394.17	7.34	-75.72
C[NH+](C)CCCCC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029911701	0	57	0.0	-79.52	424.98	6.23	-73.29
CC(C)C(C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029911715	0	57	0.0	-75.52	399.06	5.43	-70.09
CCC[N@H+](C)CCC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029911716	0	57	0.0	-78.16	420.97	5.92	-72.24
CCC[N@@H+](C)CCC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029911716	1	57	0.0	-78.15	420.97	5.91	-72.24
CCC[N@H+](C)CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029911720	0	54	0.0	-74.24	398.82	5.44	-68.80
CCC[N@@H+](C)CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029911720	1	54	0.0	-74.43	398.81	5.43	-69.00
O=C(C1=CC(=O)[N-]O1)N1CCC2CCN(C(=O)C34CC[N@H+](C3)CCC4)CC2C1	REAL300029911735	0	56	0.0	-59.23	393.24	4.74	-54.49
O=C(C1=CC(=O)[N-]O1)N1CCC2CCN(C(=O)C34CC[N@@H+](C3)CCC4)CC2C1	REAL300029911735	1	56	0.0	-77.54	393.27	4.77	-72.77
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029911761	0	52	0.0	-74.61	377.96	4.54	-70.07
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029911761	1	52	0.0	-70.28	381.75	4.72	-65.56
CC[NH+](CC)CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029911796	0	54	0.0	-72.70	390.66	4.98	-67.72
CC1CC[NH+](CC(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029911857	0	58	0.0	-75.17	422.23	6.53	-68.64
C[NH+](C)CC1(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029911879	0	55	0.0	-79.89	406.39	5.44	-74.45
C[NH+]1CCC(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029911932	0	55	0.0	-81.60	403.65	5.47	-76.13
CC(C)[C@H](C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029911948	0	57	0.0	-74.90	398.66	5.48	-69.42
CCC(C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](CC)CC	REAL300029911976	0	60	0.0	-67.08	422.04	6.11	-60.97
CC[N@H+](C)CCC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912017	0	54	0.0	-77.44	399.47	5.18	-72.26
CC[N@@H+](C)CCC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912017	1	54	0.0	-77.55	399.76	5.30	-72.25
CC1CCC[N@@H+]1CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912047	0	55	0.0	-71.35	405.39	5.59	-65.76
CC1CCC[N@H+]1CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912047	1	55	0.0	-71.76	404.70	5.80	-65.96
CC1CC[N@H+](CC(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029912049	0	55	0.0	-73.10	404.59	5.58	-67.52
CC1CC[N@@H+](CC(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029912049	1	55	0.0	-73.65	405.61	5.74	-67.91
CC1(C)CC[N@H+](CC(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029912053	0	58	0.0	-73.23	424.43	6.20	-67.03
CC1(C)CC[N@@H+](CC(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029912053	1	58	0.0	-73.73	424.46	6.27	-67.46
C[N@H+](CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)CC(C)(C)C	REAL300029912054	0	60	0.0	-74.24	427.18	6.32	-67.92
C[N@@H+](CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)CC(C)(C)C	REAL300029912054	1	60	0.0	-74.33	429.62	6.49	-67.84
CC[C@@H](C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029912062	0	54	0.0	-70.99	385.47	4.81	-66.18
C[NH+](C)CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912166	0	48	0.0	-74.65	359.31	3.90	-70.75
O=C(C[NH+]1CCCCCC1)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912170	0	58	0.0	-74.41	412.24	6.35	-68.06
CN1C=C[N+](CC(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)=C1	REAL300029912173	0	50	0.0	-72.49	390.62	7.44	-65.05
C[N@@H+]1CCCC(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029912178	0	55	0.0	-83.05	402.52	5.52	-77.53
C[N@H+]1CCCC(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029912178	1	55	0.0	-67.60	394.05	5.48	-62.12
O=C(C1=CC(=O)[N-]O1)N1CCC2CCN(C(=O)C3CCC[N@@H+]3C3CC3)CC2C1	REAL300029912183	0	56	0.0	-69.45	411.60	6.10	-63.35
O=C(C1=CC(=O)[N-]O1)N1CCC2CCN(C(=O)C3CCC[N@H+]3C3CC3)CC2C1	REAL300029912183	1	56	0.0	-74.18	408.60	5.77	-68.41
CC(C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+]1CCC1	REAL300029912199	1	52	0.0	-73.38	374.34	4.60	-68.78
CCC(CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C[NH+](C)C	REAL300029912203	0	60	0.0	-68.73	434.64	6.62	-62.11
C[NH+](C)CC(C)(C)C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912208	0	57	0.0	-76.94	400.75	5.10	-71.84
O=C(C[NH+]1CCC(O)CC1)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912223	1	56	0.0	-79.56	412.13	2.42	-77.14
C[N@H+](CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1CC1	REAL300029912224	0	52	0.0	-71.22	388.92	5.45	-65.77
C[N@@H+](CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1CC1	REAL300029912224	1	52	0.0	-71.73	388.72	5.31	-66.42
C[NH+]1CC(CC(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029912240	0	52	0.0	-77.49	390.60	4.77	-72.72
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912251	0	58	0.0	-71.26	400.22	4.88	-66.38
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912251	1	58	0.0	-73.38	399.05	5.04	-68.34
C[C@@H](C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029912262	0	51	0.0	-74.26	377.02	4.34	-69.92
[NH2+]=C1SC=CN1CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912321	0	48	0.0	-70.80	386.65	4.21	-66.59
C[N@H+](CCO)CCC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912328	0	55	0.0	-76.69	409.82	1.96	-74.73
C[N@@H+](CCO)CCC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912328	1	55	0.0	-76.78	409.75	1.92	-74.86
C[C@@H](C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029912329	0	51	0.0	-74.26	377.02	4.34	-69.92
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912333	0	55	0.0	-76.49	391.99	5.12	-71.37
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912333	1	55	0.0	-71.56	400.32	5.64	-65.92
O=C(C[NH+]1CCC1)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912383	1	49	0.0	-75.08	369.89	4.50	-70.58
C[N@@H+]1CCC(=CC(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029912402	0	53	0.0	-79.00	397.40	5.56	-73.44
C[N@H+]1CCC(=CC(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029912402	1	53	0.0	-65.07	397.03	5.46	-59.61
C[NH+](C)CCOCC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912425	0	55	0.0	-76.16	415.48	5.16	-71.00
C=CCC(C)(C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029912439	0	58	0.0	-67.29	404.54	5.38	-61.91
C[S+](C)CCC(O)C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912443	0	54	0.0	-82.73	420.05	3.36	-79.37
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912462	0	56	0.0	-73.68	401.17	1.50	-72.18
CC1CN(CC(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029912481	0	52	0.0	-74.86	390.89	5.13	-69.73
CC1C[NH+](CC(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029912481	1	52	0.0	-74.86	390.89	5.13	-69.73
CN(CCO)CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912499	0	52	0.0	-75.75	387.67	1.46	-74.29
C[N@H+](CCO)CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912499	1	52	0.0	-74.71	387.30	1.48	-73.23
C[N@@H+](CCO)CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912499	1	52	0.0	-74.71	387.30	1.48	-73.23
CC[N@@H+]1CCCC(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029912519	0	58	0.0	-74.10	413.29	6.26	-67.84
CC[N@H+]1CCCC(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029912519	1	58	0.0	-74.10	413.29	6.26	-67.84
CC(CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C[NH+](C)C	REAL300029912521	0	57	0.0	-78.60	416.76	6.09	-72.51
CC[N@H+](C)CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912526	0	51	0.0	-74.18	377.31	4.69	-69.49
CC[N@H+](CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1CC1	REAL300029912559	0	55	0.0	-73.15	400.73	5.82	-67.33
CC[NH+](CC)CCC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912569	0	57	0.0	-76.51	417.61	6.02	-70.49
CC1(C)CN(CC(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029912587	0	55	0.0	-74.92	409.97	5.60	-69.32
CC1(C)C[NH+](CC(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029912587	1	55	0.0	-74.92	409.97	5.60	-69.32
CC1(O)CC[N@H+](CC(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029912605	0	56	0.0	-74.70	416.18	2.42	-72.28
C[NH+](C)CC=CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912609	0	52	0.0	-81.23	394.50	5.28	-75.95
CC(OCC[NH+](C)C)C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912618	0	58	0.0	-71.29	430.52	5.45	-65.84
C[NH+](C)CCOCCC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912624	0	58	0.0	-76.69	436.37	4.88	-71.81
COCCN(C)CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912625	0	55	0.0	-74.40	409.54	3.88	-70.52
COCC[N@H+](C)CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912625	1	55	0.0	-75.95	409.74	3.76	-72.19
COCC[N@@H+](C)CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912625	1	55	0.0	-75.95	409.74	3.76	-72.19
C[NH+](C)C1(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CCCC1	REAL300029912645	0	58	0.0	-70.74	389.19	5.18	-65.56
CC(CCC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029912647	0	57	0.0	-75.46	417.03	5.80	-69.66
CCN1CCC1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912653	0	52	0.0	-73.29	381.47	4.55	-68.74
CC[N@@H+]1CCC1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912653	1	52	0.0	-74.53	390.21	5.00	-69.53
CC[N@H+]1CCC1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912653	1	52	0.0	-74.53	390.21	5.00	-69.53
O=C(C[N@H+]1CCCC1CO)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912666	0	56	0.0	-72.99	408.99	1.96	-71.03
C[NH+]1CCC(C)(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029912688	0	58	0.0	-55.04	407.76	5.46	-49.58
C=CCC(C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029912707	0	55	0.0	-75.01	403.23	5.51	-69.50
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912714	0	58	0.0	-72.13	420.56	5.98	-66.15
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912714	1	58	0.0	-72.13	420.56	5.98	-66.15
C[NH+](C)CCCCCC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912716	0	60	0.0	-78.73	446.48	7.00	-71.73
CCCC(C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029912737	0	57	0.0	-74.89	411.02	5.77	-69.12
C[NH+](C)C(C)(C)C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912740	0	54	0.0	-59.61	379.30	4.36	-55.25
C[N@@H+]1CCCCC1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912766	0	55	0.0	-71.35	399.32	5.48	-65.87
C[N@H+]1CC=C(CC(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029912790	0	56	0.0	-70.77	418.41	6.27	-64.50
C[N@@H+]1CC=C(CC(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029912790	1	56	0.0	-70.77	418.41	6.27	-64.50
O=C(C=CC[NH+]1CCCC1)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912830	0	56	0.0	-79.04	418.80	6.21	-72.83
C[NH+](C)C1(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029912861	0	52	0.0	-78.15	381.69	4.47	-73.68
O=C(CC[NH+]1CCCC1)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912863	0	55	0.0	-77.01	407.64	5.67	-71.34
O=C(C1=CC(=O)[N-]O1)N1CCC2CCN(C(=O)C3C[NH+]4CCN3CC4)CC2C1	REAL300029912887	0	55	0.0	-81.49	392.25	2.02	-79.47
C[N@@H+]1CC2CC1(C(=O)N1CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C1)C2	REAL300029912892	0	53	0.0	-59.02	386.82	5.15	-53.87
C[N@H+]1CC2CC1(C(=O)N1CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C1)C2	REAL300029912892	1	53	0.0	-79.25	386.57	5.17	-74.08
O=C(C[N@@H+]1CC2CCC1C2)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912899	0	56	0.0	-72.04	405.71	6.01	-66.03
O=C(C[N@H+]1CC2CCC1C2)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912899	1	56	0.0	-71.63	403.88	5.93	-65.70
O=C(C[N@@H+]1CC2C=CC1C2)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912939	1	54	0.0	-69.92	398.43	5.91	-64.01
O=C(C[N@H+]1CC2C=CC1C2)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912939	1	54	0.0	-69.57	398.60	5.79	-63.78
CC(C[NH+](C)C)C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029912971	0	54	0.0	-67.31	394.44	5.04	-62.27
C[N@@H+]1CCCCC1CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029913021	0	58	0.0	-79.92	418.51	6.25	-73.67
C[N@H+]1CCCCC1CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029913021	1	58	0.0	-64.48	411.21	6.03	-58.45
CC(C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+]1CC(C)C1	REAL300029913031	0	55	0.0	-57.00	406.09	5.55	-51.45
CC1CC[N@@H+]1CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029913033	1	52	0.0	-73.84	390.92	5.08	-68.76
CC1CC[N@H+]1CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029913033	1	52	0.0	-73.85	390.87	5.08	-68.77
C[NH+](C)CC(O)CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029913036	0	55	0.0	-82.13	412.10	3.06	-79.07
CC1C[N@H+](C)CC(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)O1	REAL300029913056	1	56	0.0	-83.55	406.76	4.49	-79.06
CC1C[N@@H+](C)CC(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)O1	REAL300029913056	1	56	0.0	-70.55	414.71	5.02	-65.53
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029913103	0	55	0.0	-78.60	408.37	5.64	-72.96
CC(CC[NH+](C)C)C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029913109	0	57	0.0	-84.73	417.68	5.64	-79.09
C[NH+]1CCN(CC(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029913128	1	57	0.0	-74.39	418.43	3.44	-70.95
NC(=[NH2+])SCC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029913152	0	46	0.0	-79.05	367.53	1.07	-77.98
C[NH+](C)CCC1(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029913181	0	58	0.0	-83.85	430.02	6.38	-77.47
C[N@@H+]1CC=CCC1CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029913182	0	56	0.0	-80.87	410.07	6.05	-74.82
C[N@H+]1CC=CCC1CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029913182	1	56	0.0	-79.48	410.68	6.12	-73.36
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029913195	0	58	0.0	-74.76	430.05	5.48	-69.28
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029913286	0	52	0.0	-73.35	378.25	4.44	-68.91
O=C(CC[N@H+]1CCC(F)C1)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029913292	0	55	0.0	-82.13	414.21	5.89	-76.24
CC1C(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC[N@@H+]1C	REAL300029913311	0	55	0.0	-75.16	396.95	4.99	-70.17
CC1C(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC[N@H+]1C	REAL300029913311	1	55	0.0	-75.16	396.95	4.99	-70.17
CN1CCOCC1CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029913340	0	56	0.0	-67.86	402.68	3.75	-64.11
C[N@@H+]1CCOCC1CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029913340	1	56	0.0	-67.30	402.57	3.64	-63.66
C[N@H+]1CCOCC1CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029913340	1	56	0.0	-67.30	402.57	3.64	-63.66
C[N@@H+]1CCCC1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029913511	0	52	0.0	-71.02	380.93	4.73	-66.29
CN1CCOC(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029913537	0	53	0.0	-88.94	393.68	4.30	-84.64
C[N@@H+]1CCOC(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029913537	1	53	0.0	-89.16	392.98	4.16	-85.00
C[N@H+]1CCOC(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029913537	1	53	0.0	-89.16	392.98	4.16	-85.00
O=C(CCN1CCOCC1)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029913690	0	56	0.0	-79.92	414.88	4.10	-75.82
O=C(CC[NH+]1CCOCC1)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029913690	1	56	0.0	-79.92	414.88	4.10	-75.82
O=C(C1=CC(=O)[N-]O1)N1CCC2CCN(C(=O)C34CCC[NH+]3CCC4)CC2C1	REAL300029913702	0	56	0.0	-69.66	395.84	5.23	-64.43
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C[N@@H+]1CCC(CC(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029913739	0	55	0.0	-77.44	405.90	5.70	-71.74
C[N@H+]1CCC(CC(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029913739	1	55	0.0	-77.44	405.90	5.70	-71.74
CCC(C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029913747	0	54	0.0	-70.62	384.93	4.76	-65.86
C[NH+](C)CCCCC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029913785	0	57	0.0	-79.52	424.98	6.23	-73.29
CC(C)C(C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029913801	0	57	0.0	-75.52	399.06	5.43	-70.09
CCC[N@H+](C)CCC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029913802	0	57	0.0	-78.15	420.97	5.91	-72.24
CCC[N@@H+](C)CCC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029913802	1	57	0.0	-78.15	420.97	5.91	-72.24
CCC[N@H+](C)CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029913806	0	54	0.0	-74.43	398.81	5.43	-69.00
CCC[N@@H+](C)CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029913806	1	54	0.0	-74.43	398.81	5.43	-69.00
O=C(C1=CC(=O)[N-]O1)N1CCC2CCN(C(=O)C34CC[N@H+](C3)CCC4)CC2C1	REAL300029913821	0	56	0.0	-77.54	393.27	4.77	-72.77
O=C(C1=CC(=O)[N-]O1)N1CCC2CCN(C(=O)C34CC[N@@H+](C3)CCC4)CC2C1	REAL300029913821	1	56	0.0	-77.54	393.27	4.77	-72.77
CC1CC[NH+](CC(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029913854	0	58	0.0	-75.17	422.23	6.53	-68.64
C[NH+](C)CC1(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029913895	0	55	0.0	-79.89	406.39	5.44	-74.45
CC[N@H+](C)CCC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029913914	0	54	0.0	-77.44	399.47	5.18	-72.26
CC[N@@H+](C)CCC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029913914	1	54	0.0	-77.55	399.76	5.30	-72.25
O=C(C1=CC(=O)[N-]O1)N1CCC2CCN(C(=O)C3C[NH+]4CCC3CC4)CC2C1	REAL300029913932	0	56	0.0	-86.25	397.03	5.55	-80.70
C[NH+]1CCC(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029913981	0	55	0.0	-81.60	403.65	5.47	-76.13
CC(C)[C@H](C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029913997	0	57	0.0	-74.90	398.66	5.48	-69.42
CC[NH+](CC)CC(F)C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029914057	0	57	0.0	-83.03	418.18	5.70	-77.33
C[NH+](C)C1(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CCC1	REAL300029914078	0	55	0.0	-76.17	382.93	4.82	-71.35
CCC(C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](CC)CC	REAL300029914106	0	60	0.0	-67.08	422.04	6.11	-60.97
CC1CCC[N@@H+]1CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029914117	0	55	0.0	-71.35	405.39	5.59	-65.76
CC1CCC[N@H+]1CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029914117	1	55	0.0	-71.76	404.70	5.80	-65.96
CC(C)[N@@H+]1CCCC1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029914163	0	58	0.0	-70.24	415.07	5.93	-64.31
CC(C)[N@H+]1CCCC1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029914163	1	58	0.0	-70.15	414.76	5.81	-64.34
CC(C)[C@@H](C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029914172	0	57	0.0	-72.23	400.89	5.44	-66.79
CC1CC[N@H+](CC(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029914186	0	55	0.0	-73.10	404.59	5.58	-67.52
CC1CC[N@@H+](CC(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029914186	1	55	0.0	-73.65	405.61	5.74	-67.91
CC1(C)CC[N@H+](CC(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029914190	0	58	0.0	-73.23	424.43	6.20	-67.03
CC1(C)CC[N@@H+](CC(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029914190	1	58	0.0	-73.73	424.46	6.27	-67.46
C[N@H+](CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)CC(C)(C)C	REAL300029914191	0	60	0.0	-74.24	427.18	6.32	-67.92
C[N@@H+](CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)CC(C)(C)C	REAL300029914191	1	60	0.0	-74.33	429.62	6.49	-67.84
CC[C@@H](C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029914199	0	54	0.0	-70.99	385.47	4.81	-66.18
CC1=[NH+]C=CN1CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029914320	1	50	0.0	-70.27	387.81	5.50	-64.77
CC[N@@H+]1CCOC(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029914384	1	56	0.0	-68.23	411.18	4.92	-63.31
CC[N@H+]1CCOC(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029914384	1	56	0.0	-86.20	409.42	4.78	-81.42
O=C(C1=CC(=O)[N-]O1)N1CCC2CCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)CC2C1	REAL300029914414	0	50	0.0	-82.20	394.05	7.30	-74.90
CC1=C[NH+]=CN1CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029914417	1	50	0.0	-74.46	388.12	6.23	-68.23
C[C@@H]1[C@H](C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC[N@@H+]1C	REAL300029914424	0	55	0.0	-82.03	394.84	4.88	-77.15
C[C@@H]1[C@H](C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC[N@H+]1C	REAL300029914424	1	55	0.0	-79.09	399.33	5.79	-73.30
CC[C@@H]1[C@@H](C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC[N@@H+]1C	REAL300029914426	0	58	0.0	-76.78	416.83	5.58	-71.20
CC[C@@H]1[C@@H](C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC[N@H+]1C	REAL300029914426	1	58	0.0	-76.39	417.07	6.01	-70.38
CC1CCC(C)[NH+]1CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029914433	0	58	0.0	-70.43	416.52	5.81	-64.62
O=C(CCC[NH+]1CCCC1)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029914436	0	58	0.0	-76.92	429.43	6.61	-70.31
O=C(CC[NH+]1CCCCC1)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029914440	0	58	0.0	-76.52	423.38	6.40	-70.12
CC[N@@H+]1CCCCC1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029914443	0	58	0.0	-70.36	406.18	5.68	-64.68
CC[N@H+]1CCCCC1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029914443	1	58	0.0	-74.28	409.84	5.91	-68.37
C[N@H+](CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1CCC1	REAL300029914541	0	55	0.0	-71.65	405.69	6.01	-65.64
C[N@@H+](CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1CCC1	REAL300029914541	1	55	0.0	-72.42	405.82	6.01	-66.41
C[NH+]1CCC(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029914572	0	55	0.0	-81.60	403.65	5.47	-76.13
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029914602	0	52	0.0	-74.61	377.96	4.54	-70.07
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029914602	1	52	0.0	-70.28	381.75	4.72	-65.56
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029914620	1	54	0.0	-70.35	404.50	5.73	-64.62
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029914620	1	54	0.0	-71.73	408.29	6.14	-65.59
C[N@@H+]1CCCC1CCC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029914625	0	58	0.0	-80.33	426.90	6.50	-73.83
C[N@H+]1CCCC1CCC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029914625	1	58	0.0	-75.54	421.24	5.99	-69.55
C[N@@H+]1CCCCC1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029914699	0	55	0.0	-76.66	391.62	5.24	-71.42
C[N@H+]1CCCCC1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029914699	1	55	0.0	-71.35	399.32	5.48	-65.87
CC1C(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC[N@@H+]1C	REAL300029914757	0	55	0.0	-76.09	396.88	4.97	-71.12
CC1C(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC[N@H+]1C	REAL300029914757	1	55	0.0	-75.16	396.95	4.99	-70.17
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029914813	0	58	0.0	-71.26	400.22	4.88	-66.38
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029914813	1	58	0.0	-73.38	399.05	5.04	-68.34
C[C@@H](C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029914827	0	51	0.0	-74.26	377.02	4.34	-69.92
C=CCC(C)(C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029914841	0	58	0.0	-67.29	404.54	5.38	-61.91
O=C(CC[NH+]1CCCC1)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029914858	0	55	0.0	-77.01	407.64	5.67	-71.34
C[N@H+](CCO)CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029914867	1	52	0.0	-75.75	387.67	1.46	-74.29
C[N@@H+](CCO)CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029914867	1	52	0.0	-74.71	387.30	1.48	-73.23
C[N@H+]1CC=C(CC(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029914925	0	56	0.0	-73.17	418.53	6.31	-66.86
C[N@@H+]1CC=C(CC(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029914925	1	56	0.0	-70.77	418.41	6.27	-64.50
C[S+](C)CCC(O)C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029914935	0	54	0.0	-82.73	420.05	3.36	-79.37
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029914948	0	56	0.0	-71.19	398.55	1.28	-69.91
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029914948	1	56	0.0	-73.68	401.17	1.50	-72.18
CC1C[NH+](CC(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029914978	1	52	0.0	-74.86	390.89	5.13	-69.73
CC[N@@H+]1CCCC(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029914984	0	58	0.0	-66.46	411.76	6.20	-60.26
CC[N@H+]1CCCC(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029914984	1	58	0.0	-74.10	413.29	6.26	-67.84
NC1=[NH+]C=CC=C1CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029914988	0	51	0.0	-68.76	393.66	3.78	-64.98
O=C(C1=CC(=O)[N-]O1)N1CCC2CCN(C(=O)C3CCC[N@@H+]3C3CC3)CC2C1	REAL300029914996	0	56	0.0	-69.45	411.60	6.10	-63.35
O=C(C1=CC(=O)[N-]O1)N1CCC2CCN(C(=O)C3CCC[N@H+]3C3CC3)CC2C1	REAL300029914996	1	56	0.0	-74.18	408.60	5.77	-68.41
O=C(C=CC[NH+]1CCCC1)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029915026	0	56	0.0	-79.04	418.80	6.21	-72.83
CC[N@H+](C)CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029915071	0	51	0.0	-74.18	377.31	4.69	-69.49
O=C(CN1CC2C=CC1C2)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029915106	0	54	0.0	-69.92	398.43	5.91	-64.01
O=C(C[N@@H+]1CC2C=CC1C2)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029915106	1	54	0.0	-69.57	398.60	5.79	-63.78
O=C(C[N@H+]1CC2C=CC1C2)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029915106	1	54	0.0	-69.57	398.60	5.79	-63.78
CC(OCC[NH+](C)C)C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029915193	0	58	0.0	-71.29	430.52	5.45	-65.84
C[NH+](C)CCOCCC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029915200	0	58	0.0	-76.69	436.37	4.88	-71.81
COCCN(C)CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029915202	0	55	0.0	-74.40	409.54	3.88	-70.52
COCC[N@H+](C)CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029915202	1	55	0.0	-75.95	409.74	3.76	-72.19
COCC[N@@H+](C)CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029915202	1	55	0.0	-75.95	409.74	3.76	-72.19
CC(CCC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029915205	0	57	0.0	-75.46	417.03	5.80	-69.66
CC[N@H+](CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1CC1	REAL300029915221	0	55	0.0	-73.15	400.73	5.82	-67.33
C[N@@H+]1CC2CC1(C(=O)N1CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C1)C2	REAL300029915248	0	53	0.0	-79.25	386.57	5.17	-74.08
O=C(C[N@@H+]1CC2CCC1C2)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029915257	0	56	0.0	-71.63	403.88	5.93	-65.70
O=C(C[N@H+]1CC2CCC1C2)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029915257	1	56	0.0	-71.63	403.88	5.93	-65.70
CC(C[NH+](C)C)C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029915272	0	54	0.0	-67.31	394.44	5.04	-62.27
CCN1CCC1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029915309	0	52	0.0	-73.29	381.47	4.55	-68.74
CC[N@@H+]1CCC1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029915309	1	52	0.0	-74.53	390.21	5.00	-69.53
CC[N@H+]1CCC1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029915309	1	52	0.0	-74.53	390.21	5.00	-69.53
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029915320	0	60	0.0	-72.54	423.52	4.39	-68.15
CNC1=NC(C)=CC=C1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029915347	0	54	0.0	-70.26	409.86	4.67	-65.59
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029915347	1	54	0.0	-70.26	409.86	4.67	-65.59
CCCC(C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029915356	0	57	0.0	-74.89	411.02	5.77	-69.12
C[NH+](C)C(C)(C)C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029915361	0	54	0.0	-59.61	379.30	4.36	-55.25
CC(CC[NH+](C)C)C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029915375	0	57	0.0	-84.73	417.68	5.64	-79.09
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029915437	0	58	0.0	-72.13	420.56	5.98	-66.15
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029915437	1	58	0.0	-72.13	420.56	5.98	-66.15
C[NH+](C)CCCCCC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029915439	0	60	0.0	-78.73	446.48	7.00	-71.73
CN1CCN(CC(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029915446	0	57	0.0	-74.39	418.43	3.44	-70.95
C[NH+]1CCN(CC(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029915446	1	57	0.0	-74.39	418.43	3.44	-70.95
CC1CN(C)CC(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)O1	REAL300029915499	0	56	0.0	-83.55	406.76	4.49	-79.06
CC1C[N@H+](C)CC(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)O1	REAL300029915499	1	56	0.0	-70.55	414.71	5.02	-65.53
CC1C[N@@H+](C)CC(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)O1	REAL300029915499	1	56	0.0	-70.55	414.71	5.02	-65.53
C[N@@H+]1CCCCC1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029915557	0	55	0.0	-71.35	399.32	5.48	-65.87
C[N@@H+]1CCC(=CC(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029915631	0	53	0.0	-65.07	397.03	5.46	-59.61
C[N@H+]1CCC(=CC(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029915631	1	53	0.0	-65.07	397.03	5.46	-59.61
O=C(CNC1=CC=[NH+]C=C1)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029915634	0	51	0.0	-77.13	395.38	3.32	-73.81
C[NH+](C)C1(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CCCC1	REAL300029915697	0	58	0.0	-70.74	389.19	5.18	-65.56
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029915716	0	52	0.0	-73.35	378.25	4.44	-68.91
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029915811	0	55	0.0	-78.60	408.37	5.64	-72.96
C[NH+](C)CCC1(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029915820	0	58	0.0	-83.85	430.02	6.38	-77.47
C[N@@H+]1CC=CCC1CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029915821	0	56	0.0	-79.48	410.68	6.12	-73.36
C[N@H+]1CC=CCC1CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029915821	1	56	0.0	-79.48	410.68	6.12	-73.36
C[NH+](C)CCOCC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029915857	0	55	0.0	-76.16	415.48	5.16	-71.00
[NH2+]=C1SC=CN1CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029915885	0	48	0.0	-70.80	386.65	4.21	-66.59
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029915927	0	58	0.0	-74.76	430.05	5.48	-69.28
C[N@@H+]1CCCC(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029915957	0	55	0.0	-67.60	394.05	5.48	-62.12
C[N@H+]1CCCC(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029915957	1	55	0.0	-67.60	394.05	5.48	-62.12
O=C(C[NH+]1CCCCCC1)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029915958	0	58	0.0	-74.41	412.24	6.35	-68.06
CN1C=C[N+](CC(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)=C1	REAL300029915962	0	50	0.0	-72.49	390.62	7.44	-65.05
O=C(CN1CCC(O)CC1)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029915985	0	56	0.0	-79.56	412.13	2.42	-77.14
O=C(C[NH+]1CCC(O)CC1)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029915985	1	56	0.0	-79.56	412.13	2.42	-77.14
C[N@H+](CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1CC1	REAL300029915987	0	52	0.0	-71.73	388.72	5.31	-66.42
O=C(CC[N@H+]1CCC(F)C1)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029915990	0	55	0.0	-82.13	414.21	5.89	-76.24
CC(CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C[NH+](C)C	REAL300029916011	0	57	0.0	-78.60	416.76	6.09	-72.51
CN1CCOCC1CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029916030	0	56	0.0	-67.86	402.68	3.75	-64.11
C[N@@H+]1CCOCC1CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029916030	1	56	0.0	-67.30	402.57	3.64	-63.66
C[N@H+]1CCOCC1CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029916030	1	56	0.0	-67.30	402.57	3.64	-63.66
CC1=CC(N)=NC=C1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029916070	0	51	0.0	-80.16	390.40	3.22	-76.94
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029916070	1	51	0.0	-80.16	390.40	3.22	-76.94
CC1(O)CC[N@H+](CC(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029916100	0	56	0.0	-74.70	416.18	2.42	-72.28
C[NH+]1CC(CC(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029916128	0	52	0.0	-77.49	390.60	4.77	-72.72
C[N@H+](CCO)CCC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029916158	0	55	0.0	-76.78	409.75	1.92	-74.86
C[N@@H+](CCO)CCC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029916158	1	55	0.0	-76.78	409.75	1.92	-74.86
C[N@@H+]1CCCCC1CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029916176	0	58	0.0	-64.48	411.21	6.03	-58.45
C[N@H+]1CCCCC1CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029916176	1	58	0.0	-64.48	411.21	6.03	-58.45
CC1CCN1CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029916191	0	52	0.0	-73.84	390.92	5.08	-68.76
CC1CC[N@@H+]1CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029916191	1	52	0.0	-73.85	390.87	5.08	-68.77
CC1CC[N@H+]1CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029916191	1	52	0.0	-73.85	390.87	5.08	-68.77
C[NH+](C)CC=CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029916199	0	52	0.0	-81.23	394.50	5.28	-75.95
CC1(C)CN(CC(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029916205	0	55	0.0	-74.92	409.97	5.60	-69.32
CC1(C)C[NH+](CC(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C1	REAL300029916205	1	55	0.0	-74.92	409.97	5.60	-69.32
C[NH+](C)CCSCC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029916227	0	55	0.0	-83.33	426.50	6.06	-77.27
O=C(C[N@H+]1CCCC1CO)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029916246	0	56	0.0	-72.99	408.99	1.96	-71.03
CC[NH+](CC)CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029916250	0	54	0.0	-72.70	390.66	4.98	-67.72
O=C(CN1CCC1)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029916259	0	49	0.0	-75.08	369.89	4.50	-70.58
O=C(C[NH+]1CCC1)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029916259	1	49	0.0	-75.08	369.89	4.50	-70.58
CC[NH+](CC)CCC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029916290	0	57	0.0	-76.51	417.61	6.02	-70.49
CC(C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)N1CCC1	REAL300029916349	0	52	0.0	-73.38	374.34	4.60	-68.78
CC(C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+]1CCC1	REAL300029916349	1	52	0.0	-73.38	374.34	4.60	-68.78
CCC(CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C[NH+](C)C	REAL300029916354	0	60	0.0	-68.73	434.64	6.62	-62.11
C[NH+](C)CC(C)(C)C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029916360	0	57	0.0	-76.94	400.75	5.10	-71.84
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029916397	0	55	0.0	-71.56	400.32	5.64	-65.92
C[NH+](C)CC(O)CC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029916421	0	55	0.0	-82.13	412.10	3.06	-79.07
C=CCC(C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1)[NH+](C)C	REAL300029916443	0	55	0.0	-75.01	403.23	5.51	-69.50
C[NH+]1CCC(C)(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)CC1	REAL300029916456	0	58	0.0	-55.04	407.76	5.46	-49.58
C[NH+](C)CCSCC(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029916519	0	55	0.0	-83.33	426.50	6.06	-77.27
C[N@@H+]1CCCC1C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029916682	0	49	0.0	-72.50	376.42	3.69	-68.81
CN1CCOC(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029916706	0	50	0.0	-88.56	387.24	3.20	-85.36
C[N@@H+]1CCOC(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029916706	1	50	0.0	-78.71	380.13	3.05	-75.66
C[N@H+]1CCOC(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029916706	1	50	0.0	-78.71	380.13	3.05	-75.66
CC(C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+]1CCCCCC1	REAL300029916877	0	58	0.0	-71.45	417.70	5.68	-65.77
CC(C)[N@@H+]1CCCCC1C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029916879	0	58	0.0	-68.81	423.72	5.13	-63.68
CC(C)[N@H+]1CCCCC1C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029916879	1	58	0.0	-69.88	423.06	5.13	-64.75
CC(C)[N@@H+]1CCCC1C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029916900	0	55	0.0	-71.00	408.88	4.74	-66.26
CC(C)[N@H+]1CCCC1C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029916900	1	55	0.0	-70.55	408.66	4.89	-65.66
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CC2CCCC[N@@H+]2C1	REAL300029916917	0	56	0.0	-77.19	416.98	5.50	-71.69
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CC2CCCC[N@H+]2C1	REAL300029916917	1	56	0.0	-72.54	417.15	5.49	-67.05
CC(C)C1=[NH+]C=CN1CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029916939	1	53	0.0	-70.28	415.49	5.47	-64.81
CC1=[NH+]C=CN1CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029916973	1	47	0.0	-71.56	379.15	4.38	-67.18
CC(C[NH+]1CCOCC1)C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029916975	0	56	0.0	-78.13	421.44	3.36	-74.77
O=C(CCC[NH+]1CCCCC1)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029916992	0	58	0.0	-76.65	435.18	5.83	-70.82
CC(C)(C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+]1CCCCC1	REAL300029917011	0	58	0.0	-75.90	419.19	5.71	-70.19
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1C[NH+]2CCC1CC2	REAL300029917021	0	53	0.0	-83.42	391.44	4.55	-78.87
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CCCC2CCC[N@@H+]21	REAL300029917067	0	56	0.0	-68.05	413.94	5.59	-62.46
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CCCC2CCC[N@H+]21	REAL300029917067	1	56	0.0	-68.05	414.18	5.58	-62.47
C[C@@H]1[C@H](C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC[N@@H+]1C	REAL300029917083	0	52	0.0	-77.17	387.31	4.06	-73.11
C[C@@H]1[C@H](C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC[N@H+]1C	REAL300029917083	1	52	0.0	-77.49	392.72	3.87	-73.62
CC[C@@H]1[C@@H](C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC[N@@H+]1C	REAL300029917088	0	55	0.0	-77.17	406.70	4.31	-72.86
CC[C@@H]1[C@@H](C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC[N@H+]1C	REAL300029917088	1	55	0.0	-74.11	411.36	4.82	-69.29
CC[N@@H+]1CCOC(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029917103	1	53	0.0	-79.45	397.91	3.70	-75.75
CC[N@H+]1CCOC(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029917103	1	53	0.0	-78.04	397.80	3.71	-74.33
CC[NH+](CC)CC(F)C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029917149	0	54	0.0	-77.61	413.26	4.74	-72.87
CC1CCC(C)[NH+]1CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029917222	0	55	0.0	-71.55	407.31	4.50	-67.05
O=C(CCC[NH+]1CCCC1)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029917228	0	55	0.0	-76.40	419.96	5.16	-71.24
C[NH+](C)CC1=CC=CC(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)=C1	REAL300029917229	0	55	0.0	-78.19	428.47	6.09	-72.10
C#CC[NH+]1CCC(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300029917234	0	54	0.0	-81.53	419.10	5.55	-75.98
O=C(CC[NH+]1CCCCC1)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029917235	0	55	0.0	-76.93	413.67	5.04	-71.89
C[NH+](C)CC1=CC=CC=C1C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029917238	0	55	0.0	-62.96	421.16	6.37	-56.59
CC[N@@H+]1CCCCC1C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029917242	0	55	0.0	-70.60	409.13	5.00	-65.60
CC[N@H+]1CCCCC1C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029917242	1	55	0.0	-71.68	410.20	4.86	-66.82
C[NH+](C)C(C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=CC=CC=C1	REAL300029917245	1	55	0.0	-72.37	424.57	6.23	-66.14
CC(C)C[N@@H+]1CCC(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029917262	0	58	0.0	-76.55	435.83	5.72	-70.83
CC(C)C[N@H+]1CCC(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029917262	1	58	0.0	-77.87	435.83	5.54	-72.33
C[NH+](C)C1(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CCC1	REAL300029917266	0	52	0.0	-77.44	383.87	3.80	-73.64
CC(C)[N@@H+]1CCCC1CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029917268	0	58	0.0	-53.62	420.44	5.14	-48.48
CC(C)[N@H+]1CCCC1CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029917268	1	58	0.0	-74.29	427.97	5.38	-68.91
CC(C)[C@@H](C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300029917283	0	54	0.0	-72.89	398.70	4.93	-67.96
C[N@H+](CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CCC1	REAL300029917332	0	52	0.0	-72.91	395.81	4.75	-68.16
C[N@@H+](CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CCC1	REAL300029917332	1	52	0.0	-73.20	396.08	4.74	-68.46
CC(C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+]1C(C)CCC1C	REAL300029917396	0	58	0.0	-68.90	420.18	5.18	-63.72
CN(CCC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=CC=[NH+]C=C1	REAL300029917452	0	54	0.0	-72.87	424.87	4.30	-68.57
C#CC[N@H+]1CCC[C@H]1C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029917460	1	51	0.0	-72.89	396.53	4.43	-68.46
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029917460	1	51	0.0	-68.58	402.07	5.02	-63.56
C[N@@H+]1CCCC1CCC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029917466	0	55	0.0	-79.94	417.26	5.28	-74.66
C[N@H+]1CCCC1CCC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029917466	1	55	0.0	-75.14	411.23	4.66	-70.48
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C12CCC[NH+](CCC1)C2	REAL300029917477	0	56	0.0	-75.85	407.14	4.86	-70.99
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CCC2CCCC[N@@H+]21	REAL300029917484	0	56	0.0	-70.45	417.63	5.59	-64.86
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CCC2CCCC[N@H+]21	REAL300029917484	1	56	0.0	-70.07	417.77	5.69	-64.38
O=C(CCCC[NH+]1CCCC1)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029917504	0	58	0.0	-76.89	441.46	5.93	-70.96
C[N@H+](CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)CC1=CC=CC=C1	REAL300029917506	1	55	0.0	-80.03	426.50	6.34	-73.69
C[N@@H+](CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)CC1=CC=CC=C1	REAL300029917506	1	55	0.0	-80.13	426.38	6.35	-73.78
C[NH+]1CCC(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300029917517	0	52	0.0	-81.11	394.43	4.40	-76.71
C[NH+](C)CC1=CC(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)=NO1	REAL300029917558	1	51	0.0	-80.59	408.88	3.78	-76.81
CC1=C(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C=CC2=C[NH+]=CN21	REAL300029917559	0	50	0.0	-75.45	394.21	6.45	-69.00
C[N@@H+]1CCCCC1C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029917591	0	52	0.0	-65.15	391.27	4.31	-60.84
C[N@H+]1CCCCC1C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029917591	1	52	0.0	-72.70	382.12	4.18	-68.52
CC(C)C[N@@H+]1CCCC1C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029917614	0	58	0.0	-74.23	429.58	5.28	-68.95
CC(C)C[N@H+]1CCCC1C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029917614	1	58	0.0	-72.50	435.03	5.84	-66.66
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=CN2C=[NH+]C=C2C=C1	REAL300029917719	0	47	0.0	-76.60	379.92	6.15	-70.45
CC1=[NH+]C=CN1CCCC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029917728	1	53	0.0	-73.63	421.10	5.52	-68.11
C[NH+](C)CC1=CC=C(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C=C1	REAL300029917733	0	55	0.0	-85.90	427.86	6.27	-79.63
O=C(CC[NH+]1CCOCC1)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029917734	1	53	0.0	-80.05	405.11	2.75	-77.30
CC1=C[NH+]=CN1CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029917765	1	47	0.0	-74.59	378.43	5.07	-69.52
O=C(CN1C=[NH+]C2=C1CCCC2)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029917771	1	54	0.0	-73.88	421.30	6.83	-67.05
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C12CCC[NH+]1CCC2	REAL300029917807	0	53	0.0	-78.59	394.43	4.75	-73.84
C[NH+](C)C1CCCC(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029917836	0	58	0.0	-68.69	422.17	5.40	-63.29
C[N@@H+]1CCC(CC(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029917839	0	52	0.0	-77.98	397.14	4.19	-73.79
C[N@H+]1CCC(CC(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029917839	1	52	0.0	-79.06	396.24	4.23	-74.83
CN(C)C1=CC=[NH+]C=C1C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029917851	0	51	0.0	-85.26	400.48	3.45	-81.81
CCC(C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300029917856	0	51	0.0	-70.83	378.59	3.86	-66.97
C[NH+](C)C1(CC(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CCCC1	REAL300029917870	0	58	0.0	-79.59	413.58	5.07	-74.52
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=CC2=C[NH+]=CN2C=C1	REAL300029917914	1	47	0.0	-81.82	380.48	6.14	-75.68
C[NH+](C)CCCCC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029917972	0	54	0.0	-78.56	415.20	4.89	-73.67
CC(C)C(C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300029917992	0	54	0.0	-72.11	403.61	4.68	-67.43
CCC[N@H+](C)CCC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029917994	0	54	0.0	-78.20	411.72	4.59	-73.61
CCC[N@@H+](C)CCC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029917994	1	54	0.0	-78.11	411.31	4.74	-73.37
CCC[N@H+](C)CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029918000	0	51	0.0	-75.28	389.07	4.16	-71.12
CCC[N@@H+](C)CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029918000	1	51	0.0	-75.28	388.94	4.19	-71.09
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C12CC[N@H+](C1)CCC2	REAL300029918024	0	53	0.0	-83.39	391.47	3.98	-79.41
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C12CC[N@@H+](C1)CCC2	REAL300029918024	1	53	0.0	-77.30	391.15	3.97	-73.33
C[N@@H+]1CCC[C@@H]1C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029918064	0	49	0.0	-74.14	369.71	3.31	-70.83
C[N@H+]1CCC[C@@H]1C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029918064	1	49	0.0	-71.91	376.05	3.82	-68.09
CCCCCC[N@H+](C)CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029918124	0	60	0.0	-76.48	453.56	6.50	-69.98
CCCCCC[N@@H+](C)CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029918124	1	60	0.0	-76.50	453.57	6.50	-70.00
CC[NH+](CC)C(C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C(C)C	REAL300029918129	0	60	0.0	-69.06	435.00	5.69	-63.37
CC[NH+](CC)CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029918138	0	51	0.0	-73.98	381.65	3.71	-70.27
CCC[N@@H+]1CCCC(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029918170	0	58	0.0	-68.12	427.35	5.98	-62.14
CCC[N@H+]1CCCC(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029918170	1	58	0.0	-68.18	427.04	6.02	-62.16
CC(C)[N@@H+]1CCOC(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029918187	0	56	0.0	-84.22	421.81	4.37	-79.85
CC(C)[N@H+]1CCOC(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029918187	1	56	0.0	-85.03	421.44	4.37	-80.66
CC1CC[NH+](CC(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300029918219	0	55	0.0	-75.89	412.34	5.24	-70.65
C[NH+]1CCC(OCC(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300029918247	0	56	0.0	-82.57	430.08	4.72	-77.85
C[NH+](C)CC1(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300029918261	0	52	0.0	-77.22	400.87	4.43	-72.79
CC1=[NH+]C=C2CCC(C(=O)NCC34CC3N(C(=O)C3=CC(=O)[N-]O3)CCC4)CN21	REAL300029918262	1	54	0.0	-70.41	417.17	5.53	-64.88
CC(C)[NH+]1CCC(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300029918337	0	58	0.0	-78.13	425.09	5.35	-72.78
C[NH+]1CCC(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300029918358	0	52	0.0	-81.11	394.43	4.40	-76.71
CC(C)[C@H](C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300029918376	0	54	0.0	-73.33	398.37	4.90	-68.43
CCC(C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](CC)CC	REAL300029918407	0	57	0.0	-68.68	411.54	4.90	-63.78
CC[N@H+](C)CCC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029918469	0	51	0.0	-77.35	389.81	3.98	-73.37
CC[N@@H+](C)CCC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029918469	1	51	0.0	-77.37	389.81	3.97	-73.40
CC1CCC[N@@H+]1CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029918525	0	52	0.0	-72.08	395.84	4.42	-67.66
CC1CCC[N@H+]1CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029918525	1	52	0.0	-72.54	395.01	4.52	-68.02
CC1CC[N@H+](CC(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029918527	0	52	0.0	-74.53	395.92	4.49	-70.04
CC1CC[N@@H+](CC(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029918527	1	52	0.0	-74.93	395.15	4.33	-70.60
CC1=[NH+]C=C2CC(C(=O)NCC34CC3N(C(=O)C3=CC(=O)[N-]O3)CCC4)CCN21	REAL300029918529	1	54	0.0	-74.40	418.65	5.37	-69.03
CC1(C)CC[N@H+](CC(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029918532	0	55	0.0	-74.47	414.80	5.02	-69.45
CC1(C)CC[N@@H+](CC(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029918532	1	55	0.0	-74.84	415.44	4.99	-69.85
C[N@H+](CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)CC(C)(C)C	REAL300029918533	0	57	0.0	-75.27	418.52	5.20	-70.07
C[N@@H+](CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)CC(C)(C)C	REAL300029918533	1	57	0.0	-74.95	419.37	5.29	-69.66
CC[C@@H](C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300029918542	0	51	0.0	-66.90	379.84	3.81	-63.09
C[NH+]1CCC(O)(CC(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300029918721	0	56	0.0	-64.53	421.40	2.86	-61.67
C[NH+](C)CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029918733	0	45	0.0	-75.58	349.84	2.74	-72.84
O=C(C[NH+]1CCC(CO)CC1)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029918737	1	56	0.0	-78.71	423.18	1.93	-76.78
O=C(C[NH+]1CCCCCC1)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029918739	0	55	0.0	-74.51	401.04	4.81	-69.70
CN1C=C[N+](CC(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)=C1	REAL300029918743	0	47	0.0	-72.77	380.95	6.28	-66.49
C[N@@H+]1CCCC(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029918750	0	52	0.0	-76.53	394.71	4.26	-72.27
C[N@H+]1CCCC(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029918750	1	52	0.0	-68.02	387.52	4.56	-63.46
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CCC[N@@H+]1C1CC1	REAL300029918755	0	53	0.0	-73.52	403.02	4.60	-68.92
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CCC[N@H+]1C1CC1	REAL300029918755	1	53	0.0	-73.54	399.90	4.60	-68.94
CC(C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+]1CCC1	REAL300029918784	1	49	0.0	-73.53	379.71	3.75	-69.78
CCC(CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C[NH+](C)C	REAL300029918790	0	57	0.0	-81.75	424.84	5.25	-76.50
C[NH+](C)CC(C)(C)C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029918797	0	54	0.0	-71.28	398.43	4.43	-66.85
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C12CC(C1)C[N@@H+]2C1CC1	REAL300029918815	0	54	0.0	-75.81	401.90	5.23	-70.58
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C12CC(C1)C[N@H+]2C1CC1	REAL300029918815	1	54	0.0	-78.05	407.90	5.85	-72.20
O=C(C[NH+]1CCC(O)CC1)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029918826	1	53	0.0	-80.44	402.58	1.28	-79.16
C[N@H+](CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CC1	REAL300029918827	0	49	0.0	-72.01	378.98	4.17	-67.84
C[N@@H+](CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CC1	REAL300029918827	1	49	0.0	-73.15	379.53	4.03	-69.12
CC(C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)N1CC[NH+](C)CC1	REAL300029918828	1	57	0.0	-75.13	422.84	2.46	-72.67
C[NH+]1CC(CC(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029918847	0	49	0.0	-76.32	381.57	3.46	-72.86
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CC[N@@H+]1C1CCCC1	REAL300029918851	0	56	0.0	-72.33	419.73	5.17	-67.16
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CC[N@H+]1C1CCCC1	REAL300029918851	1	56	0.0	-74.08	415.16	5.09	-68.99
CC(C)(C)[N@@H+]1CCC1C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029918859	0	55	0.0	-72.71	411.56	4.34	-68.37
CC(C)(C)[N@H+]1CCC1C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029918859	1	55	0.0	-73.25	393.09	4.23	-69.02
C[C@@H](C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300029918870	0	48	0.0	-73.79	367.98	3.16	-70.63
CCC1CCC[N@H+](CC(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029918912	0	58	0.0	-75.57	430.48	5.87	-69.70
CCC1CCC[N@@H+](CC(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029918912	1	58	0.0	-75.51	430.83	5.86	-69.65
C[NH+](C)CC1=CC=C(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)N1	REAL300029918920	0	53	0.0	-89.66	416.32	4.21	-85.45
[NH2+]=C1SC=CN1CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029918965	0	45	0.0	-71.13	376.80	2.95	-68.18
C[N@H+](CCO)CCC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029918975	0	52	0.0	-76.97	400.16	0.77	-76.20
C[N@@H+](CCO)CCC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029918975	1	52	0.0	-76.54	400.49	0.63	-75.91
C[C@@H](C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300029918976	0	48	0.0	-73.79	367.98	3.16	-70.63
C[N@@H+]1CCCC[C@@H]1C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029918980	0	52	0.0	-73.41	382.98	4.04	-69.37
C[N@H+]1CCCC[C@@H]1C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029918980	1	52	0.0	-72.56	392.33	4.21	-68.35
CC1CN2CC[N@@H+]1CC2C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029918989	0	55	0.0	-69.96	403.72	1.57	-68.39
CC1CN2CC[N@H+]1CC2C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029918989	1	55	0.0	-81.97	403.19	1.61	-80.36
O=C(CC1=CC2=C[NH+]=CN2C=C1)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919035	0	50	0.0	-73.68	404.12	6.94	-66.74
C[N@H+](CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CCSC1	REAL300029919060	0	53	0.0	-79.69	408.92	5.02	-74.67
C[N@@H+](CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CCSC1	REAL300029919060	1	53	0.0	-81.51	409.05	4.99	-76.52
C[NH+](C)CC1=CC(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)=CC=N1	REAL300029919091	1	54	0.0	-75.46	423.99	4.79	-70.67
C[N@@H+]1CCC(=CC(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029919093	0	50	0.0	-78.89	388.79	4.18	-74.71
C[N@H+]1CCC(=CC(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029919093	1	50	0.0	-79.03	388.38	4.29	-74.74
C[NH+](C)CCOCC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919127	0	52	0.0	-75.21	405.72	3.80	-71.41
CCCCC[N@H+](C)CCC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919133	0	60	0.0	-79.17	454.73	6.14	-73.03
CCCCC[N@@H+](C)CCC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919133	1	60	0.0	-79.03	454.31	6.30	-72.73
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)O1	REAL300029919142	0	56	0.0	-74.04	428.55	4.67	-69.37
C=CCC(C)(C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300029919149	0	55	0.0	-67.96	403.25	4.74	-63.22
C[S+](C)CCC(O)C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919154	0	51	0.0	-82.91	414.69	2.41	-80.50
C[N@@H+]1CC(O)CC1(C)C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919181	0	53	0.0	-80.87	397.59	1.06	-79.81
CN1CC[N@H+](C)CC(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029919193	0	57	0.0	-72.90	420.16	2.91	-69.99
CN1CC[N@@H+](C)CC(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029919193	1	57	0.0	-72.90	420.16	2.91	-69.99
CC(C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[N@@H+]1CCCC(O)C1	REAL300029919194	0	56	0.0	-72.94	417.73	1.90	-71.04
O=C(CN1CCC(CO)CC1)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919204	0	56	0.0	-78.71	423.18	1.93	-76.78
O=C(C[NH+]1CCC(CO)CC1)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919204	1	56	0.0	-78.71	423.18	1.93	-76.78
C[N@@H+]1CCCC(O)(CC(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029919213	0	56	0.0	-71.16	420.49	2.99	-68.17
C[N@H+]1CCCC(O)(CC(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029919213	1	56	0.0	-71.16	420.49	2.99	-68.17
CC1CN(CC(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029919216	0	49	0.0	-75.94	381.02	3.74	-72.20
CC1C[NH+](CC(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029919216	1	49	0.0	-75.94	381.02	3.74	-72.20
CN(CCO)CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919243	0	49	0.0	-76.06	377.93	0.17	-75.89
C[N@H+](CCO)CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919243	1	49	0.0	-75.67	377.94	0.17	-75.50
C[N@@H+](CCO)CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919243	1	49	0.0	-75.67	377.94	0.17	-75.50
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1C[N@@H+]2CCN1CCC2	REAL300029919266	0	55	0.0	-88.05	397.42	2.40	-85.65
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1C[N@H+]2CCN1CCC2	REAL300029919266	1	55	0.0	-88.05	397.42	2.40	-85.65
CC[N@@H+]1CCCC(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029919272	0	55	0.0	-74.62	412.37	4.91	-69.71
CC[N@H+]1CCCC(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029919272	1	55	0.0	-74.62	412.37	4.91	-69.71
CC(CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C[NH+](C)C	REAL300029919274	0	54	0.0	-81.43	406.89	4.73	-76.70
CC[N@H+](C)CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919287	0	48	0.0	-75.03	367.45	3.43	-71.60
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C12CCC[N@@H+]1CCCC2	REAL300029919315	0	56	0.0	-69.26	403.49	5.29	-63.97
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C12CCC[N@H+]1CCCC2	REAL300029919315	1	56	0.0	-69.26	403.49	5.29	-63.97
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C12CCC[N@@H+]1CC=CC2	REAL300029919322	0	54	0.0	-73.35	396.23	5.12	-68.23
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C12CCC[N@H+]1CC=CC2	REAL300029919322	1	54	0.0	-73.35	396.23	5.12	-68.23
CC[N@H+](CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CC1	REAL300029919343	0	52	0.0	-72.48	395.81	4.73	-67.75
CC[NH+](CC)CCC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919361	0	54	0.0	-76.82	403.54	4.39	-72.43
CC1(O)CC[N@H+](CC(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029919414	0	53	0.0	-73.88	405.82	1.15	-72.73
C[NH+](C)CC=CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919421	0	49	0.0	-80.48	387.07	3.99	-76.49
CC(OCC[NH+](C)C)C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919443	0	55	0.0	-76.08	425.50	4.49	-71.59
C[NH+](C)CCOCCC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919452	0	55	0.0	-76.24	426.67	3.54	-72.70
COCCN(C)CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919453	0	52	0.0	-75.44	400.19	2.57	-72.87
COCC[N@H+](C)CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919453	1	52	0.0	-76.34	400.18	2.58	-73.76
COCC[N@@H+](C)CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919453	1	52	0.0	-76.34	400.18	2.58	-73.76
C[NH+](C)C1(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CCCC1	REAL300029919489	0	55	0.0	-78.14	402.22	5.27	-72.87
CC(CCC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300029919492	0	54	0.0	-80.35	402.78	4.48	-75.87
CCN1CCC1C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919501	0	49	0.0	-72.76	374.67	3.48	-69.28
CC[N@@H+]1CCC1C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919501	1	49	0.0	-73.53	373.34	3.19	-70.34
CC[N@H+]1CCC1C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919501	1	49	0.0	-73.53	373.34	3.19	-70.34
CC(C)[N@@H+]1CCCC(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029919511	0	58	0.0	-67.36	423.17	5.62	-61.74
CC(C)[N@H+]1CCCC(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029919511	1	58	0.0	-67.36	423.17	5.62	-61.74
O=C(C[N@H+]1CCCC1CO)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919524	0	53	0.0	-74.69	403.05	1.36	-73.33
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CC2CCCC[N@@H+]2C1	REAL300029919546	0	56	0.0	-72.54	417.15	5.49	-67.05
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CC2CCCC[N@H+]2C1	REAL300029919546	1	56	0.0	-72.54	417.15	5.49	-67.05
C[NH+]1CCC(C)(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300029919552	0	55	0.0	-73.74	407.05	4.83	-68.91
CC(C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)N1CCC(O)CC1	REAL300029919574	0	56	0.0	-77.26	420.53	1.56	-75.70
CC(C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+]1CCC(O)CC1	REAL300029919574	1	56	0.0	-77.26	420.53	1.56	-75.70
C=CCC(C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300029919582	0	52	0.0	-70.81	393.45	4.29	-66.52
C[N@@H+]1CC(C)(C)CC1C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919595	0	55	0.0	-70.38	415.53	4.80	-65.58
C[NH+](C)CCCCCC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919599	0	57	0.0	-77.63	436.70	5.67	-71.96
CC1C[N@@H+]2CCN1C(C(=O)NCC13CC1N(C(=O)C1=CC(=O)[N-]O1)CCC3)C2	REAL300029919634	0	55	0.0	-82.70	403.02	1.65	-81.05
CCCC(C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300029919635	0	54	0.0	-73.68	404.57	5.15	-68.53
C[NH+](C)C(C)(C)C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919639	0	51	0.0	-80.09	377.29	3.91	-76.18
C[N@@H+]1CCCCC1C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919681	0	52	0.0	-72.70	382.12	4.18	-68.52
C[N@H+]1CC=C(CC(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300029919721	0	53	0.0	-71.39	409.31	5.07	-66.32
C[N@@H+]1CC=C(CC(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300029919721	1	53	0.0	-71.39	409.31	5.07	-66.32
O=C(CC1([NH+]2CCCC2)CC1)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919730	0	56	0.0	-72.68	414.85	5.51	-67.17
CN(C)CC1=CC=C(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)O1	REAL300029919779	0	52	0.0	-84.29	414.25	4.41	-79.88
C[NH+](C)CC1=CC=C(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)O1	REAL300029919779	1	52	0.0	-84.29	414.25	4.41	-79.88
O=C(C=CC[NH+]1CCCC1)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919796	0	53	0.0	-78.84	412.44	5.03	-73.81
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CC[NH+](C2CC2)CC1	REAL300029919820	0	56	0.0	-78.39	419.25	5.61	-72.78
O=C(CC[NH+]1CCCC1)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919843	0	52	0.0	-76.95	398.46	4.36	-72.59
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1C[NH+]2CCN1CC2	REAL300029919881	0	52	0.0	-85.41	386.13	1.13	-84.28
C[N@@H+]1CC2CC1(C(=O)NCC13CC1N(C(=O)C1=CC(=O)[N-]O1)CCC3)C2	REAL300029919891	0	50	0.0	-79.76	381.91	3.94	-75.82
C[N@H+]1CC2CC1(C(=O)NCC13CC1N(C(=O)C1=CC(=O)[N-]O1)CCC3)C2	REAL300029919891	1	50	0.0	-74.87	383.24	3.81	-71.06
O=C(C[N@@H+]1CC2CCC1C2)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919905	0	53	0.0	-72.21	393.74	4.62	-67.59
O=C(C[N@H+]1CC2CCC1C2)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919905	1	53	0.0	-73.29	396.44	4.85	-68.44
O=C(C=C1C[NH+]2CCC1CC2)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919946	0	54	0.0	-69.79	406.14	5.18	-64.61
O=C(C[N@@H+]1CC2C=CC1C2)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919956	1	51	0.0	-71.15	388.69	4.60	-66.55
O=C(C[N@H+]1CC2C=CC1C2)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919956	1	51	0.0	-71.21	389.29	4.61	-66.60
CC[NH+]1CCN(CC(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300029919988	0	57	0.0	-59.93	427.62	2.71	-57.22
CC(C[NH+](C)C)C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029920008	0	51	0.0	-76.94	388.24	4.01	-72.93
C[N@@H+]1CCCCC1CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029920086	0	55	0.0	-67.86	401.95	4.79	-63.07
C[N@H+]1CCCCC1CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029920086	1	55	0.0	-64.55	409.75	4.81	-59.74
CC1=C2C=C(C(=O)NCC34CC3N(C(=O)C3=CC(=O)[N-]O3)CCC4)C=CN2C=[NH+]1	REAL300029920102	1	50	0.0	-80.27	402.10	6.71	-73.56
CC(C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+]1CC(C)C1	REAL300029920103	1	52	0.0	-72.30	398.50	4.44	-67.86
CC1CC[N@@H+]1CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029920106	1	49	0.0	-73.00	375.20	3.56	-69.44
CC1CC[N@H+]1CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029920106	1	49	0.0	-74.35	381.64	3.69	-70.66
C[NH+](C)CC(O)CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029920111	0	52	0.0	-81.30	402.25	1.80	-79.50
CC1C[N@H+](C)CC(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)O1	REAL300029920139	1	53	0.0	-86.79	401.95	3.81	-82.98
CC1C[N@@H+](C)CC(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)O1	REAL300029920139	1	53	0.0	-90.36	408.34	3.84	-86.52
O=C(CC[NH+]1CCC(O)CC1)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029920148	0	56	0.0	-80.17	425.22	1.70	-78.47
CCC[N@@H+]1CCCCC1C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029920150	0	58	0.0	-69.21	421.01	5.53	-63.68
CCC[N@H+]1CCCCC1C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029920150	1	58	0.0	-71.90	420.94	5.61	-66.29
C[NH+](C)[C@H]1C[C@H](C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029920229	0	52	0.0	-75.47	399.56	4.35	-71.12
CC(CC[NH+](C)C)C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029920237	0	54	0.0	-76.89	409.88	4.63	-72.26
C[N@H+](CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[C@@H]1CCC[C@H]1O	REAL300029920258	0	56	0.0	-72.64	421.63	1.83	-70.81
C[N@@H+](CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[C@@H]1CCC[C@H]1O	REAL300029920258	1	56	0.0	-73.53	421.25	2.00	-71.53
C[NH+]1CCN(CC(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300029920270	1	54	0.0	-61.19	409.88	2.04	-59.15
CC[NH+]1CCN(CC(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300029920279	0	57	0.0	-59.93	427.62	2.71	-57.22
NC(=[NH2+])SCC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029920305	0	43	0.0	-78.24	357.76	-0.31	-78.55
CC[N@@H+]1CCOCC1CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029920342	0	56	0.0	-80.25	418.08	3.23	-77.02
C[NH+](C)C1CCC(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300029920358	0	58	0.0	-71.24	422.01	5.47	-65.77
C[NH+](C)CCC1(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300029920359	0	55	0.0	-80.59	424.83	5.30	-75.29
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300029920361	0	58	0.0	-70.78	422.15	5.44	-65.34
C[N@@H+]1CC=CCC1CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029920362	0	53	0.0	-68.02	395.98	4.75	-63.27
C[N@H+]1CC=CCC1CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029920362	1	53	0.0	-68.02	395.98	4.75	-63.27
C[C@@H](OCC[NH+](C)C)C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029920385	0	55	0.0	-73.83	425.42	4.39	-69.44
C[NH+]1C2CCC1CC(C(=O)NCC13CC1N(C(=O)C1=CC(=O)[N-]O1)CCC3)C2	REAL300029920413	0	56	0.0	-74.28	393.40	5.17	-69.11
CC(C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+]1CCSCC1	REAL300029920523	1	53	0.0	-76.37	405.41	4.48	-71.89
CCC1C[NH+](CC(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029920525	1	52	0.0	-76.47	402.70	4.48	-71.99
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1([NH+]2CCCC2)CCC1	REAL300029920527	0	56	0.0	-77.62	411.93	5.15	-72.47
C[N@H+]1CCC[C@H]1C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029920536	1	49	0.0	-64.99	370.99	3.12	-61.87
O=C(CC[N@@H+]1CCC(F)C1)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029920543	1	52	0.0	-81.79	404.58	4.37	-77.42
COC1C[N@@H+](C)C(C)(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300029920551	1	56	0.0	-78.66	419.15	3.43	-75.23
O=C(CC[NH+]1CCCCCC1)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029920560	0	58	0.0	-78.83	424.15	5.25	-73.58
O=C(C[NH+]1CCCCC1)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029920562	0	52	0.0	-75.04	391.11	4.64	-70.40
CC1C(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC[N@@H+]1C	REAL300029920572	0	52	0.0	-77.20	387.29	4.05	-73.15
CC1C(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC[N@H+]1C	REAL300029920572	1	52	0.0	-62.95	387.70	3.56	-59.39
C[N@@H+]1CCCCC1CCC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029920574	0	58	0.0	-74.21	431.26	5.56	-68.65
C[N@H+]1CCCCC1CCC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029920574	1	58	0.0	-74.61	431.62	5.53	-69.08
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CC[N@@H+]2CCOCC12	REAL300029920604	0	54	0.0	-61.53	406.18	2.87	-58.66
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CC[N@H+]2CCOCC12	REAL300029920604	1	54	0.0	-70.61	407.24	2.85	-67.76
CC1=[NH+]C=C2C=CC(C(=O)NCC34CC3N(C(=O)C3=CC(=O)[N-]O3)CCC4)=CN21	REAL300029920609	0	50	0.0	-73.17	401.35	5.92	-67.25
CN1CCOCC1CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029920626	0	53	0.0	-57.00	393.79	2.27	-54.73
C[N@@H+]1CCOCC1CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029920626	1	53	0.0	-82.67	399.72	2.60	-80.07
C[N@H+]1CCOCC1CC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029920626	1	53	0.0	-57.00	393.79	2.27	-54.73
CC1=C(C)[NH+]=C(CCC(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)N1	REAL300029920634	1	53	0.0	-71.21	420.08	4.03	-67.18
C[N@H+]1CCCC1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029920806	1	49	0.0	-69.84	371.27	3.27	-66.57
CC1=[NH+]C=CN1CCCC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029920992	1	53	0.0	-69.87	423.57	5.79	-64.08
C[NH+](C)CC1=CC=C(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C=C1	REAL300029920997	0	55	0.0	-68.33	428.42	5.77	-62.56
O=C(CC[NH+]1CCOCC1)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029920998	1	53	0.0	-76.90	407.87	2.91	-73.99
O=C(NCC12CC1N(C(=O)C1=CC3=C[NH+]=CN3C=C1)CCC2)C1=CC(=O)[N-]O1	REAL300029921024	1	47	0.0	-74.25	380.82	5.95	-68.30
C[NH+](C)C1CCCC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C1	REAL300029921076	0	58	0.0	-64.61	420.65	5.18	-59.43
C[N@@H+]1CCC(CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C1	REAL300029921079	0	52	0.0	-73.86	399.50	4.37	-69.49
C[N@H+]1CCC(CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C1	REAL300029921079	1	52	0.0	-73.99	399.70	4.37	-69.62
CCC(C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12)[NH+](C)C	REAL300029921094	0	51	0.0	-68.78	380.45	3.75	-65.03
C[NH+](C)CCCCC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029921153	0	54	0.0	-74.69	417.96	5.02	-69.67
CCC[N@H+](C)CCC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029921173	0	54	0.0	-74.50	414.34	4.72	-69.78
CCC[N@@H+](C)CCC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029921173	1	54	0.0	-74.81	414.19	4.86	-69.95
CCC[N@H+](C)CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029921177	0	51	0.0	-69.33	392.69	4.10	-65.23
CCC[N@@H+](C)CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029921177	1	51	0.0	-71.95	391.74	4.13	-67.82
O=C(NCC12CC1N(C(=O)C13CC[N@H+](C1)CCC3)CCC2)C1=CC(=O)[N-]O1	REAL300029921195	0	53	0.0	-73.05	384.21	3.63	-69.42
O=C(NCC12CC1N(C(=O)C13CC[N@@H+](C1)CCC3)CCC2)C1=CC(=O)[N-]O1	REAL300029921195	1	53	0.0	-81.06	386.96	3.36	-77.70
CCCCCC[N@H+](C)CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029921224	0	60	0.0	-70.59	457.19	6.44	-64.15
CCCCCC[N@@H+](C)CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029921224	1	60	0.0	-73.57	456.33	6.59	-66.98
CC1CC[NH+](CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)CC1	REAL300029921259	0	55	0.0	-72.60	415.55	5.33	-67.27
C[NH+]1CCC(OCC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)CC1	REAL300029921281	0	56	0.0	-78.31	432.55	5.02	-73.29
O=C(NCC12CC1N(C(=O)C1CC3CCCC[N@@H+]3C1)CCC2)C1=CC(=O)[N-]O1	REAL300029921319	0	56	0.0	-70.76	417.21	5.27	-65.49
O=C(NCC12CC1N(C(=O)C1CC3CCCC[N@H+]3C1)CCC2)C1=CC(=O)[N-]O1	REAL300029921319	1	56	0.0	-63.85	420.39	5.31	-58.54
C[NH+](C)CC1(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)CC1	REAL300029921329	0	52	0.0	-74.20	400.30	4.33	-69.87
CC1=[NH+]C=C2CCC(C(=O)N3CCCC4(CNC(=O)C5=CC(=O)[N-]O5)CC34)CN21	REAL300029921330	1	54	0.0	-64.56	421.14	5.36	-59.20
CC(C)[NH+]1CCC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)CC1	REAL300029921340	0	58	0.0	-62.22	428.96	5.22	-57.00
CC[N@H+](C)CCC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029921362	0	51	0.0	-73.76	392.59	3.98	-69.78
CC[N@@H+](C)CCC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029921362	1	51	0.0	-74.02	392.69	4.12	-69.90
O=C(NCC12CC1N(C(=O)C1C[NH+]3CCC1CC3)CCC2)C1=CC(=O)[N-]O1	REAL300029921392	0	53	0.0	-79.25	389.86	4.37	-74.88
C[NH+]1CCC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)CC1	REAL300029921460	0	52	0.0	-74.18	396.66	4.42	-69.76
CC[NH+](CC)CC(F)C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029921548	0	54	0.0	-72.56	410.78	4.56	-68.00
CC(C)C[N@@H+]1CCC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C1	REAL300029921575	0	58	0.0	-73.07	438.83	5.46	-67.61
CC(C)C[N@H+]1CCC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C1	REAL300029921575	1	58	0.0	-70.55	438.44	5.68	-64.87
CCC(C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12)[NH+](CC)CC	REAL300029921600	0	57	0.0	-66.66	411.54	5.01	-61.65
CC1CCC[N@@H+]1CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029921616	0	52	0.0	-68.44	391.30	4.23	-64.21
CC1CCC[N@H+]1CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029921616	1	52	0.0	-68.85	397.86	4.50	-64.35
CC(C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12)[NH+]1CCCCCC1	REAL300029921677	0	58	0.0	-67.41	419.42	5.16	-62.25
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029921696	0	55	0.0	-67.16	407.66	4.74	-62.42
CC(C)[N@H+]1CCCC1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029921696	1	55	0.0	-69.12	403.38	5.15	-63.97
CC(C)[N@@H+]1CCCC1CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029921701	0	58	0.0	-64.47	424.04	4.91	-59.56
CC(C)[N@H+]1CCCC1CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029921701	1	58	0.0	-70.61	431.96	5.53	-65.08
CC1CC[N@H+](CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C1	REAL300029921731	0	52	0.0	-70.77	398.07	4.40	-66.37
CC1CC[N@@H+](CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C1	REAL300029921731	1	52	0.0	-71.62	401.16	4.35	-67.27
CC1=[NH+]C=C2CC(C(=O)N3CCCC4(CNC(=O)C5=CC(=O)[N-]O5)CC34)CCN21	REAL300029921732	1	54	0.0	-69.61	417.06	5.20	-64.41
CC1(C)CC[N@H+](CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C1	REAL300029921735	0	55	0.0	-71.25	418.25	4.96	-66.29
CC1(C)CC[N@@H+](CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C1	REAL300029921735	1	55	0.0	-71.26	418.01	5.10	-66.16
C[N@H+](CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12)CC(C)(C)C	REAL300029921736	0	57	0.0	-69.40	421.31	5.08	-64.32
C[N@@H+](CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12)CC(C)(C)C	REAL300029921736	1	57	0.0	-71.58	422.49	5.28	-66.30
CC[C@@H](C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12)[NH+](C)C	REAL300029921743	0	51	0.0	-67.76	382.58	3.70	-64.06
CN(CCC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12)C1=CC=[NH+]C=C1	REAL300029921858	0	54	0.0	-68.95	427.23	4.43	-64.52
CC1=[NH+]C=CN1CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029921936	1	47	0.0	-66.19	382.91	4.30	-61.89
CC(C[NH+]1CCOCC1)C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029921938	1	56	0.0	-74.55	419.20	3.27	-71.28
O=C(CCC[NH+]1CCCCC1)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029921952	0	58	0.0	-73.07	437.54	5.96	-67.11
C[NH+](C)CC1=CC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)=NO1	REAL300029921965	1	51	0.0	-76.58	408.86	4.06	-72.52
CC1=C(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C=CC2=C[NH+]=CN21	REAL300029921966	0	50	0.0	-73.31	405.49	6.36	-66.95
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029921999	1	53	0.0	-64.35	419.13	5.42	-58.93
O=C(NCC12CC1N(C(=O)C1CCCC3CCC[N@@H+]31)CCC2)C1=CC(=O)[N-]O1	REAL300029922032	0	56	0.0	-64.49	412.29	5.36	-59.13
O=C(NCC12CC1N(C(=O)C1CCCC3CCC[N@H+]31)CCC2)C1=CC(=O)[N-]O1	REAL300029922032	1	56	0.0	-67.59	405.28	4.82	-62.77
CC[N@@H+]1CCOC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C1	REAL300029922051	1	53	0.0	-80.36	404.95	3.66	-76.70
CC[N@H+]1CCOC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C1	REAL300029922051	1	53	0.0	-82.24	402.84	3.69	-78.55
O=C(NCC12CC1N(C(=O)C1=CN3C=[NH+]C=C3C=C1)CCC2)C1=CC(=O)[N-]O1	REAL300029922091	0	47	0.0	-73.70	387.90	6.09	-67.61
CC1=C[NH+]=CN1CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029922096	1	47	0.0	-70.73	381.45	5.03	-65.70
C[C@@H]1[C@H](C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)CC[N@@H+]1C	REAL300029922110	0	52	0.0	-74.35	390.30	4.05	-70.30
C[C@@H]1[C@H](C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)CC[N@H+]1C	REAL300029922110	1	52	0.0	-75.57	395.06	4.12	-71.45
CC[C@@H]1[C@@H](C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)CC[N@@H+]1C	REAL300029922114	0	55	0.0	-73.30	406.66	4.24	-69.06
CC[C@@H]1[C@@H](C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)CC[N@H+]1C	REAL300029922114	1	55	0.0	-72.92	410.88	4.59	-68.33
CC1CCC(C)[NH+]1CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029922124	0	55	0.0	-68.19	409.73	4.84	-63.35
O=C(CCC[NH+]1CCCC1)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029922130	0	55	0.0	-73.08	422.43	5.42	-67.66
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)=C1	REAL300029922131	0	55	0.0	-72.38	428.41	5.91	-66.47
C#CC[NH+]1CCC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)CC1	REAL300029922136	0	54	0.0	-67.12	422.97	5.41	-61.71
O=C(CC[NH+]1CCCCC1)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029922137	0	55	0.0	-73.41	416.60	5.33	-68.08
O=C(CN1C=[NH+]C2=C1CCCC2)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029922148	1	54	0.0	-66.12	425.07	6.76	-59.36
C[NH+](C)C1(CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)CCCC1	REAL300029922175	0	58	0.0	-73.72	416.35	5.32	-68.40
C[N@H+](CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12)C1CCC1	REAL300029922309	0	52	0.0	-67.17	399.70	4.67	-62.50
C[N@@H+](CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12)C1CCC1	REAL300029922309	1	52	0.0	-69.84	398.62	4.70	-65.14
CC(C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12)[NH+]1C(C)CCC1C	REAL300029922327	0	58	0.0	-68.07	420.79	5.16	-62.91
O=C(CCCC[NH+]1CCCC1)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029922340	0	58	0.0	-73.12	444.07	6.09	-67.03
C[N@H+](CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12)CC1=CC=CC=C1	REAL300029922342	1	55	0.0	-74.02	430.14	6.28	-67.74
C[N@@H+](CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12)CC1=CC=CC=C1	REAL300029922342	1	55	0.0	-76.40	429.44	6.33	-70.07
C[NH+]1CCC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)CC1	REAL300029922353	0	52	0.0	-74.18	396.66	4.42	-69.76
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029922388	0	49	0.0	-70.53	371.28	3.27	-67.26
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029922388	1	49	0.0	-68.72	375.27	3.59	-65.13
C[N@@H+]1CCCC1CCC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029922414	0	55	0.0	-72.90	420.85	5.23	-67.67
C[N@H+]1CCCC1CCC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029922414	1	55	0.0	-71.87	414.92	4.93	-66.94
O=C(NCC12CC1N(C(=O)C1CCC3CCCC[N@@H+]31)CCC2)C1=CC(=O)[N-]O1	REAL300029922428	0	56	0.0	-68.02	412.36	5.29	-62.73
O=C(NCC12CC1N(C(=O)C1CCC3CCCC[N@H+]31)CCC2)C1=CC(=O)[N-]O1	REAL300029922428	1	56	0.0	-67.30	412.09	5.31	-61.99
CCC[N@@H+]1CCCC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C1	REAL300029922488	0	58	0.0	-63.53	426.87	5.81	-57.72
CCC[N@H+]1CCCC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C1	REAL300029922488	1	58	0.0	-70.19	436.58	5.69	-64.50
CC(C)[N@@H+]1CCOC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C1	REAL300029922501	1	56	0.0	-77.44	421.62	4.29	-73.15
CC(C)[N@H+]1CCOC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C1	REAL300029922501	1	56	0.0	-79.91	419.96	4.21	-75.70
O=C(C[NH+]1CCC(CO)CC1)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029922558	0	56	0.0	-73.68	426.39	2.02	-71.66
CC1C(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)CC[N@@H+]1C	REAL300029922601	0	52	0.0	-71.49	394.85	4.07	-67.42
CC1C(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)CC[N@H+]1C	REAL300029922601	1	52	0.0	-71.97	393.94	4.14	-67.83
C[N@@H+]1CCCCC1CCC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029922603	0	58	0.0	-71.09	433.81	5.70	-65.39
C[N@H+]1CCCCC1CCC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029922603	1	58	0.0	-69.68	434.78	5.65	-64.03
NC1=[NH+]C2=C(C=C1C(=O)N1CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC13)CCC2	REAL300029922629	1	52	0.0	-63.85	408.30	3.58	-60.27
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029922678	0	55	0.0	-68.43	413.13	4.34	-64.09
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029922678	1	55	0.0	-67.98	413.62	4.40	-63.58
C[C@@H](C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12)[NH+](C)C	REAL300029922696	0	48	0.0	-67.69	368.79	3.07	-64.62
C[NH+](C)CC1=CC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)=CC=N1	REAL300029922710	1	54	0.0	-70.49	422.79	4.32	-66.17
C=CCC(C)(C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12)[NH+](C)C	REAL300029922714	0	55	0.0	-64.59	398.25	4.28	-60.31
O=C(CC[NH+]1CCCC1)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029922739	0	52	0.0	-73.50	400.93	4.61	-68.89
C[N@H+](CCO)CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029922748	1	49	0.0	-69.37	381.56	0.12	-69.25
C[N@@H+](CCO)CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029922748	1	49	0.0	-70.24	381.33	0.11	-70.13
O=C(NCC12CC1N(C(=O)C1C[N@@H+]3CCN1CCC3)CCC2)C1=CC(=O)[N-]O1	REAL300029922781	0	55	0.0	-76.93	398.00	2.03	-74.90
O=C(NCC12CC1N(C(=O)C1C[N@H+]3CCN1CCC3)CCC2)C1=CC(=O)[N-]O1	REAL300029922781	1	55	0.0	-79.18	396.53	2.23	-76.95
CC(C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12)[NH+]1CCSCC1	REAL300029922800	1	53	0.0	-72.35	403.00	4.34	-68.01
C[N@H+]1CC=C(CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)CC1	REAL300029922833	0	53	0.0	-69.72	411.63	5.18	-64.54
C[N@@H+]1CC=C(CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)CC1	REAL300029922833	1	53	0.0	-69.29	411.70	5.23	-64.06
C[S+](C)CCC(O)C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029922845	0	51	0.0	-78.72	412.75	2.25	-76.47
CN1CC[N@H+](C)CC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C1	REAL300029922874	0	57	0.0	-69.36	425.32	2.71	-66.65
CN1CC[N@@H+](C)CC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C1	REAL300029922874	1	57	0.0	-68.00	422.96	2.80	-65.20
CC(C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12)[N@@H+]1CCCC(O)C1	REAL300029922875	0	56	0.0	-68.68	419.60	1.79	-66.89
CC(C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12)[N@H+]1CCCC(O)C1	REAL300029922875	1	56	0.0	-70.80	421.63	1.66	-69.14
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C1	REAL300029922906	0	56	0.0	-68.07	412.85	2.92	-65.15
C[N@H+]1CCCC(O)(CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C1	REAL300029922906	1	56	0.0	-71.98	410.35	3.14	-68.84
CC1C[NH+](CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C1	REAL300029922910	1	49	0.0	-71.92	383.91	3.81	-68.11
CC[N@@H+]1CCCC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C1	REAL300029922915	0	55	0.0	-71.22	409.79	4.84	-66.38
CC[N@H+]1CCCC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C1	REAL300029922915	1	55	0.0	-68.56	417.32	4.73	-63.83
NC1=[NH+]C=CC=C1CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029922921	0	48	0.0	-66.31	387.71	2.55	-63.76
O=C(NCC12CC1N(C(=O)C1CCC[N@@H+]1C1CC1)CCC2)C1=CC(=O)[N-]O1	REAL300029922932	0	53	0.0	-66.58	406.51	5.02	-61.56
O=C(NCC12CC1N(C(=O)C1CCC[N@H+]1C1CC1)CCC2)C1=CC(=O)[N-]O1	REAL300029922932	1	53	0.0	-68.01	401.50	4.69	-63.32
O=C(C=CC[NH+]1CCCC1)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029922971	0	53	0.0	-73.11	414.05	5.29	-67.82
O=C(NCC12CC1N(C(=O)C1CC[NH+](C3CC3)CC1)CCC2)C1=CC(=O)[N-]O1	REAL300029922992	0	56	0.0	-71.29	421.51	5.65	-65.64
CC[N@H+](C)CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923028	0	48	0.0	-71.86	370.33	3.50	-68.36
O=C(CN1CC2C=CC1C2)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923080	0	51	0.0	-65.82	391.32	4.67	-61.15
O=C(C[N@@H+]1CC2C=CC1C2)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923080	1	51	0.0	-69.87	392.30	4.68	-65.19
O=C(C[N@H+]1CC2C=CC1C2)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923080	1	51	0.0	-69.87	392.30	4.68	-65.19
CC1=CC=C(NCCC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)N=C1	REAL300029923100	0	54	0.0	-68.29	431.46	4.29	-64.00
CC1=CC=C(NCCC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)[NH+]=C1	REAL300029923100	1	54	0.0	-68.29	431.46	4.29	-64.00
CC(OCC[NH+](C)C)C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923206	0	55	0.0	-72.46	424.88	4.45	-68.01
C[NH+](C)CCOCCC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923216	0	55	0.0	-72.41	429.43	3.67	-68.74
COCCN(C)CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923218	0	52	0.0	-70.27	403.58	2.52	-67.75
COCC[N@H+](C)CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923218	1	52	0.0	-69.61	403.81	2.52	-67.09
COCC[N@@H+](C)CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923218	1	52	0.0	-69.61	403.81	2.52	-67.09
CC(CCC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12)[NH+](C)C	REAL300029923224	0	54	0.0	-72.02	409.95	4.63	-67.39
CC[N@H+](CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12)C1CC1	REAL300029923248	0	52	0.0	-69.00	398.64	4.87	-64.13
CC1C[N@@H+]2CCN1C(C(=O)N1CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC13)C2	REAL300029923258	0	55	0.0	-78.20	402.05	1.41	-76.79
CC1=NC(N)=CC=C1C=CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923287	0	52	0.0	-69.08	416.73	3.53	-65.55
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923287	1	52	0.0	-69.08	416.73	3.53	-65.55
O=C(C[N@@H+]1CC2CCC1C2)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923293	0	53	0.0	-68.53	396.87	4.63	-63.90
O=C(C[N@H+]1CC2CCC1C2)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923293	1	53	0.0	-68.53	396.87	4.63	-63.90
CC(C[NH+](C)C)C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923312	0	51	0.0	-73.58	386.29	3.82	-69.76
CCN1CCC1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923355	0	49	0.0	-71.40	382.57	3.72	-67.68
CC[N@@H+]1CCC1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923355	1	49	0.0	-71.49	387.13	3.57	-67.92
CC[N@H+]1CCC1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923355	1	49	0.0	-71.49	387.13	3.57	-67.92
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C1	REAL300029923365	0	58	0.0	-64.45	420.48	5.40	-59.05
CC(C)[N@H+]1CCCC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C1	REAL300029923365	1	58	0.0	-64.45	420.48	5.40	-59.05
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923376	0	57	0.0	-69.70	416.79	3.43	-66.27
C#CCN1CCCCC1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923417	0	54	0.0	-61.83	411.50	5.18	-56.65
C#CC[N@H+]1CCCCC1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923417	1	54	0.0	-60.10	419.13	5.42	-54.68
C#CC[N@@H+]1CCCCC1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923417	1	54	0.0	-60.10	419.13	5.42	-54.68
CNC1=NC(C)=CC=C1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923418	0	51	0.0	-65.21	404.28	3.31	-61.90
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923418	1	51	0.0	-65.21	404.28	3.31	-61.90
CCCC(C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12)[NH+](C)C	REAL300029923428	0	54	0.0	-69.77	401.94	4.51	-65.26
CC(CC[NH+](C)C)C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923450	0	54	0.0	-71.66	412.86	4.63	-67.03
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923546	0	55	0.0	-68.69	414.55	4.72	-63.97
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923546	1	55	0.0	-68.69	414.55	4.72	-63.97
C[NH+](C)CCCCCC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923551	0	57	0.0	-73.77	439.46	5.80	-67.97
O=C(CC[NH+]1CCC(O)CC1)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923555	0	56	0.0	-76.99	427.69	1.98	-75.01
CCC[N@@H+]1CCCCC1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923558	0	58	0.0	-70.12	427.56	5.22	-64.90
CCC[N@H+]1CCCCC1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923558	1	58	0.0	-70.12	427.56	5.22	-64.90
CN1CCN(CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)CC1	REAL300029923567	0	54	0.0	-71.79	411.73	2.24	-69.55
C[NH+]1CCN(CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)CC1	REAL300029923567	1	54	0.0	-71.79	411.73	2.24	-69.55
CC1CN(C)CC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)O1	REAL300029923658	0	53	0.0	-84.77	405.84	3.79	-80.98
CC1C[N@H+](C)CC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)O1	REAL300029923658	1	53	0.0	-80.63	400.83	3.83	-76.80
CC1C[N@@H+](C)CC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)O1	REAL300029923658	1	53	0.0	-80.63	400.83	3.83	-76.80
CCC1CCC[N@H+](CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C1	REAL300029923688	0	58	0.0	-72.29	433.49	5.96	-66.33
CCC1CCC[N@@H+](CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C1	REAL300029923688	1	58	0.0	-72.29	433.49	5.96	-66.33
O=C(CC1([NH+]2CCCC2)CC1)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923723	0	56	0.0	-69.11	417.59	5.66	-63.45
C[N@@H+]1CCCCC1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923755	0	52	0.0	-68.97	386.22	4.00	-64.97
C[N@@H+]1CCC(=CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C1	REAL300029923855	0	50	0.0	-73.93	390.11	4.44	-69.49
C[N@H+]1CCC(=CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C1	REAL300029923855	1	50	0.0	-73.61	390.98	4.31	-69.30
O=C(CNC1=CC=[NH+]C=C1)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923860	0	48	0.0	-72.16	388.31	2.12	-70.04
CC[NH+]1CCN(CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)CC1	REAL300029923909	0	57	0.0	-70.72	428.97	2.87	-67.85
O=C(C=C1C[NH+]2CCC1CC2)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923910	0	54	0.0	-67.41	407.90	5.26	-62.15
C[N@H+](CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12)[C@@H]1CCC[C@H]1O	REAL300029923949	0	56	0.0	-66.83	423.32	2.12	-64.71
C[N@@H+](CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12)[C@@H]1CCC[C@H]1O	REAL300029923949	1	56	0.0	-70.51	423.27	2.05	-68.46
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923966	0	49	0.0	-68.76	377.81	3.61	-65.15
C[N@H+]1CCC[C@H]1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923966	1	49	0.0	-69.76	371.55	3.27	-66.49
CCN1CCOCC1CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923994	0	56	0.0	-73.42	416.24	3.08	-70.34
CC[N@@H+]1CCOCC1CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923994	1	56	0.0	-73.72	421.26	3.22	-70.50
CC[N@H+]1CCOCC1CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923994	1	56	0.0	-73.72	421.26	3.22	-70.50
NC1=NC2=CC(C(=O)N3CCCC4(CNC(=O)C5=CC(=O)[N-]O5)CC34)=CC=C2N1	REAL300029924070	0	49	0.0	-69.22	394.33	3.68	-65.54
NC1=[NH+]C2=CC(C(=O)N3CCCC4(CNC(=O)C5=CC(=O)[N-]O5)CC34)=CC=C2N1	REAL300029924070	1	49	0.0	-69.22	394.33	3.68	-65.54
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C1	REAL300029924103	0	52	0.0	-72.57	401.67	4.46	-68.11
C[NH+](C)C1CCC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)CC1	REAL300029924117	0	58	0.0	-56.18	422.25	5.21	-50.97
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)CC1	REAL300029924119	0	58	0.0	-65.64	421.31	5.25	-60.39
C[N@@H+]1CC=CCC1CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029924120	0	53	0.0	-64.49	399.65	4.73	-59.76
C[N@H+]1CC=CCC1CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029924120	1	53	0.0	-64.49	399.65	4.73	-59.76
CC1=CC(C=CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)=CN=C1N	REAL300029924167	0	52	0.0	-71.56	416.92	3.83	-67.73
CC1=CC(C=CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)=C[NH+]=C1N	REAL300029924167	1	52	0.0	-71.56	416.92	3.83	-67.73
C[NH+](C)CCOCC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029924179	0	52	0.0	-71.73	408.47	3.97	-67.76
CCCCC[N@H+](C)CCC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029924185	0	60	0.0	-75.80	457.19	6.42	-69.38
CCCCC[N@@H+](C)CCC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029924185	1	60	0.0	-75.80	457.19	6.42	-69.38
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)O1	REAL300029924195	0	56	0.0	-73.06	428.89	4.56	-68.50
[NH2+]=C1SC=CN1CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029924213	0	45	0.0	-65.88	380.53	2.87	-63.01
C[C@@H](OCC[NH+](C)C)C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029924275	0	55	0.0	-70.10	423.66	4.27	-65.83
O=C(CC[NH+]1CCCCCC1)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029924309	0	58	0.0	-75.14	426.51	5.39	-69.75
O=C(C[NH+]1CCCCC1)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029924313	0	52	0.0	-71.65	394.32	4.71	-66.94
C[N@@H+]1CCCC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C1	REAL300029924315	0	52	0.0	-63.77	387.74	4.41	-59.36
C[N@H+]1CCCC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C1	REAL300029924315	1	52	0.0	-65.56	386.33	4.25	-61.31
O=C(C[NH+]1CCC(CO)CC1)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029924316	0	56	0.0	-73.68	426.39	2.02	-71.66
O=C(C[NH+]1CCCCCC1)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029924319	0	55	0.0	-70.94	404.06	4.79	-66.15
CN1C=C[N+](CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)=C1	REAL300029924324	0	47	0.0	-69.23	383.83	6.36	-62.87
C[NH+](C)CC1=CC=C(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)O1	REAL300029924339	1	52	0.0	-74.76	413.20	4.53	-70.23
C[NH+](C)CC1=CC=C(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C=N1	REAL300029924344	0	54	0.0	-74.39	423.67	4.34	-70.05
O=C(C[NH+]1CCC(O)CC1)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029924355	1	53	0.0	-76.90	405.79	1.36	-75.54
C[N@@H+](CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12)C1CC1	REAL300029924360	1	49	0.0	-69.32	381.91	4.14	-65.18
CC(C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12)N1CC[NH+](C)CC1	REAL300029924362	1	57	0.0	-70.99	427.88	2.58	-68.41
O=C(CC[N@@H+]1CCC(F)C1)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029924365	1	52	0.0	-78.44	407.08	4.57	-73.87
CC(CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12)C[NH+](C)C	REAL300029924389	0	54	0.0	-74.34	409.78	4.90	-69.44
O=C(NCC12CC1N(C(=O)C1CC[N@@H+]3CCOCC13)CCC2)C1=CC(=O)[N-]O1	REAL300029924404	0	54	0.0	-76.05	408.05	3.01	-73.04
O=C(NCC12CC1N(C(=O)C1CC[N@H+]3CCOCC13)CCC2)C1=CC(=O)[N-]O1	REAL300029924404	1	54	0.0	-66.20	402.86	2.80	-63.40
CC1=[NH+]C=C2C=CC(C(=O)N3CCCC4(CNC(=O)C5=CC(=O)[N-]O5)CC34)=CN21	REAL300029924409	0	50	0.0	-66.57	408.43	5.84	-60.73
CN1CCOCC1CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029924426	0	53	0.0	-67.71	395.73	2.56	-65.15
C[N@@H+]1CCOCC1CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029924426	1	53	0.0	-67.83	395.86	2.45	-65.38
C[N@H+]1CCOCC1CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029924426	1	53	0.0	-67.71	395.73	2.56	-65.15
CC[NH+]1CCN(CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)CC1	REAL300029924432	0	57	0.0	-70.72	428.97	2.87	-67.85
CC1=CC(N)=[NH+]C=C1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029924475	1	48	0.0	-71.82	383.30	1.98	-69.84
NC1=CC=C(CCC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C=[NH+]1	REAL300029924478	0	51	0.0	-71.08	411.61	3.38	-67.70
CC1(O)CC[N@@H+](CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C1	REAL300029924512	1	53	0.0	-71.99	408.96	1.12	-70.87
C[NH+]1CC(CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C1	REAL300029924545	0	49	0.0	-73.58	384.04	3.71	-69.87
O=C(NCC12CC1N(C(=O)C1CC[N@@H+]1C1CCCC1)CCC2)C1=CC(=O)[N-]O1	REAL300029924550	0	56	0.0	-72.13	424.73	5.77	-66.36
O=C(NCC12CC1N(C(=O)C1CC[N@H+]1C1CCCC1)CCC2)C1=CC(=O)[N-]O1	REAL300029924550	1	56	0.0	-70.15	416.33	5.28	-64.87
C[NH+](C)CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029924558	0	45	0.0	-72.66	352.60	2.84	-69.82
C[N@H+](CCO)CCC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029924585	0	52	0.0	-73.60	403.05	0.90	-72.70
C[N@@H+](CCO)CCC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029924585	1	52	0.0	-73.00	403.17	0.75	-72.25
C[C@@H](C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12)[NH+](C)C	REAL300029924586	0	48	0.0	-67.69	368.79	3.07	-64.62
C[N@@H+]1CCCCC1CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029924604	0	55	0.0	-74.81	411.85	5.07	-69.74
C[N@H+]1CCCCC1CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029924604	1	55	0.0	-75.13	411.62	5.08	-70.05
CC1=C2C=C(C(=O)N3CCCC4(CNC(=O)C5=CC(=O)[N-]O5)CC34)C=CN2C=[NH+]1	REAL300029924623	1	50	0.0	-72.16	402.74	6.51	-65.65
CC(C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12)[NH+]1CC(C)C1	REAL300029924624	0	52	0.0	-67.13	401.27	4.15	-62.98
CC1CCN1CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029924627	0	49	0.0	-71.12	384.26	3.91	-67.21
CC1CC[N@@H+]1CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029924627	1	49	0.0	-69.75	378.39	3.66	-66.09
CC1CC[N@H+]1CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029924627	1	49	0.0	-71.12	384.26	3.91	-67.21
C[NH+](C)CC=CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029924638	0	49	0.0	-74.21	388.97	4.12	-70.09
CC1(C)C[NH+](CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C1	REAL300029924650	1	52	0.0	-72.30	402.85	4.43	-67.87
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)N1	REAL300029924668	1	53	0.0	-67.53	422.84	4.17	-63.36
CC1=C2C=C(C(=O)N3CCCC4(CNC(=O)C5=CC(=O)[N-]O5)CC34)C=CN2C=[NH+]1	REAL300029924678	1	50	0.0	-72.16	402.74	6.51	-65.65
C[NH+](C)CCSCC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029924687	0	52	0.0	-77.62	419.49	4.85	-72.77
O=C(C[N@@H+]1CCCC1CO)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029924711	1	53	0.0	-68.28	398.58	1.27	-67.01
CC[NH+](CC)CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029924715	0	51	0.0	-70.01	388.45	4.19	-65.82
C[N@@H+](CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12)C1CCSC1	REAL300029924726	1	53	0.0	-74.43	412.81	4.92	-69.51
O=C(C[NH+]1CCC1)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029924728	1	46	0.0	-72.13	362.64	3.17	-68.96
CC[NH+](CC)CCC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029924767	0	54	0.0	-73.36	406.20	4.53	-68.83
C[NH+](C)CC1=CNC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)=C1	REAL300029924822	0	53	0.0	-73.67	413.74	4.32	-69.35
CC(C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12)[NH+]1CCC(O)CC1	REAL300029924837	0	56	0.0	-71.89	421.60	1.57	-70.32
O=C(NCC12CC1N(C(=O)C1CC3COCC[N@@H+]3C1)CCC2)C1=CC(=O)[N-]O1	REAL300029924842	0	54	0.0	-72.05	407.66	3.04	-69.01
O=C(NCC12CC1N(C(=O)C1CC3COCC[N@H+]3C1)CCC2)C1=CC(=O)[N-]O1	REAL300029924842	1	54	0.0	-74.16	408.15	2.87	-71.29
CC(C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12)[NH+]1CCC1	REAL300029924855	1	49	0.0	-67.20	374.16	3.23	-63.97
CCC(CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12)C[NH+](C)C	REAL300029924862	0	57	0.0	-74.76	423.63	5.37	-69.39
NC1=CC=C(C=CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C=[NH+]1	REAL300029924867	0	49	0.0	-72.62	399.12	3.08	-69.54
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029924919	0	52	0.0	-69.29	381.29	3.92	-65.37
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029924919	1	52	0.0	-67.38	392.66	4.39	-62.99
CC1CN2CC[N@@H+]1CC2C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029924932	0	55	0.0	-77.64	401.83	1.46	-76.18
CC1CN2CC[N@H+]1CC2C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029924932	1	55	0.0	-77.09	403.11	1.31	-75.78
C[NH+](C)CC(O)CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029924952	0	52	0.0	-77.41	405.20	1.91	-75.50
C[NH+]1C2CCC1CC(C(=O)N1CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC13)C2	REAL300029924955	0	56	0.0	-66.66	397.61	4.57	-62.09
C=CCC(C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12)[NH+](C)C	REAL300029924987	0	52	0.0	-67.94	393.84	4.23	-63.71
O=C(NCC12CC1N(C(=O)C1CC3CCCC[N@@H+]3C1)CCC2)C1=CC(=O)[N-]O1	REAL300029924994	0	56	0.0	-70.76	417.21	5.27	-65.49
O=C(NCC12CC1N(C(=O)C1CC3CCCC[N@H+]3C1)CCC2)C1=CC(=O)[N-]O1	REAL300029924994	1	56	0.0	-63.85	420.39	5.31	-58.54
C[NH+]1CCC(O)(CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)CC1	REAL300029925003	0	56	0.0	-73.55	422.79	3.20	-70.35
CC1=C2C=C(C(=O)NCC34CC3N(C(=O)C3=CC(=O)[N-]O3)CCC4)C=CN2C=[NH+]1	REAL300029925082	1	50	0.0	-80.27	402.10	6.71	-73.56
C[NH+](C)CCSCC(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029925091	0	52	0.0	-81.99	416.74	4.68	-77.31
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CC2COCC[N@@H+]2C1	REAL300029925099	0	54	0.0	-74.60	408.73	2.98	-71.62
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CC2COCC[N@H+]2C1	REAL300029925099	1	54	0.0	-78.02	408.18	3.07	-74.95
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CCC[N@@H+]1C	REAL300029925245	0	45	0.0	-61.33	351.53	2.58	-58.75
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CCC[N@H+]1C	REAL300029925245	1	45	0.0	-59.07	345.16	2.04	-57.03
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1C[N@H+](C)CCO1	REAL300029925269	1	46	0.0	-78.91	363.45	1.98	-76.93
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1C[N@@H+](C)CCO1	REAL300029925269	1	46	0.0	-84.18	363.42	2.00	-82.18
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029925471	1	52	0.0	-65.36	415.69	4.86	-60.50
CC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)[NH+]1CCCCCC1	REAL300029925479	0	54	0.0	-66.27	394.34	4.49	-61.78
CC(C)[N@@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029925482	0	54	0.0	-59.51	392.08	4.06	-55.45
CC(C)[N@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029925482	1	54	0.0	-57.51	398.36	4.06	-53.45
CC(C)[N@@H+]1CCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029925518	0	51	0.0	-59.39	369.01	3.43	-55.96
CC(C)[N@H+]1CCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029925518	1	51	0.0	-65.94	375.77	3.67	-62.27
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300029925548	0	52	0.0	-68.70	393.72	4.22	-64.48
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CC2CCCC[N@H+]2C1	REAL300029925548	1	52	0.0	-61.79	392.38	4.27	-57.52
CC(C)C1=[NH+]C=CN1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029925588	1	49	0.0	-64.74	395.42	4.35	-60.39
CC1=[NH+]C=CN1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029925650	1	43	0.0	-64.97	355.49	3.19	-61.78
CC(C[NH+]1CCOCC1)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029925652	0	52	0.0	-71.95	397.35	2.27	-69.68
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1	REAL300029925675	0	54	0.0	-70.90	411.47	4.80	-66.10
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1	REAL300029925716	0	54	0.0	-66.42	394.21	4.54	-61.88
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300029925719	0	58	0.0	-67.64	431.02	5.51	-62.13
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300029925719	1	58	0.0	-67.03	430.42	5.42	-61.61
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1C[NH+]2CCC1CC2	REAL300029925737	0	49	0.0	-77.68	366.33	3.30	-74.38
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CCCC2CCC[N@@H+]21	REAL300029925804	0	52	0.0	-64.18	381.76	4.11	-60.07
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CCCC2CCC[N@H+]21	REAL300029925804	1	52	0.0	-63.59	390.74	4.39	-59.20
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300029925807	0	51	0.0	-75.09	409.46	3.06	-72.03
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300029925824	0	51	0.0	-82.43	410.79	3.08	-79.35
C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)CC[N@@H+]1C	REAL300029925832	0	48	0.0	-72.50	361.77	2.49	-70.01
C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)CC[N@H+]1C	REAL300029925832	1	48	0.0	-73.04	368.13	3.09	-69.95
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029925836	1	52	0.0	-61.11	411.11	4.71	-56.40
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)CC[N@@H+]1C	REAL300029925839	0	51	0.0	-73.58	382.89	3.29	-70.29
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)CC[N@H+]1C	REAL300029925839	1	51	0.0	-68.73	386.05	3.76	-64.97
CC[N@@H+]1CCOC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029925869	1	49	0.0	-76.92	381.21	2.63	-74.29
CC[N@H+]1CCOC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029925869	1	49	0.0	-82.17	381.22	2.68	-79.49
CC[NH+](CC)CC(F)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029925945	0	50	0.0	-71.43	388.55	3.56	-67.87
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=C(C[NH+](C)C)C=CS1	REAL300029925946	0	48	0.0	-63.31	391.18	4.17	-59.14
CC1CCC(C)[NH+]1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029926075	0	51	0.0	-61.76	382.33	3.59	-58.17
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CCC[NH+]1CCCC1	REAL300029926086	0	51	0.0	-70.67	395.77	4.10	-66.57
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300029926087	0	51	0.0	-71.91	404.24	5.04	-66.87
C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)CC1	REAL300029926097	0	50	0.0	-72.20	394.44	4.32	-67.88
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC[NH+]1CCCCC1	REAL300029926099	0	51	0.0	-70.72	390.06	4.00	-66.72
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CC=CC=C1C[NH+](C)C	REAL300029926103	0	51	0.0	-54.31	395.99	5.28	-49.03
CC[N@@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029926115	0	51	0.0	-64.11	384.97	3.80	-60.31
CC[N@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029926115	1	51	0.0	-65.17	375.50	3.57	-61.60
CC(C)C(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)[NH+]1CCCCC1	REAL300029926116	0	57	0.0	-64.12	413.29	5.85	-58.27
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C(C1=CC=CC=C1)[NH+](C)C	REAL300029926120	1	51	0.0	-64.10	400.79	5.06	-59.04
CC(C)C[N@@H+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029926147	0	54	0.0	-67.20	410.03	4.54	-62.66
CC(C)C[N@H+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029926147	1	54	0.0	-70.82	410.42	4.50	-66.32
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1	REAL300029926151	0	48	0.0	-66.20	359.27	3.02	-63.18
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CCC[N@@H+]1C1CCOCC1	REAL300029926154	0	56	0.0	-68.52	408.99	3.14	-65.38
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CCC[N@H+]1C1CCOCC1	REAL300029926154	1	56	0.0	-65.68	416.88	3.10	-62.58
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C(CN1C=CC=N1)[NH+](C)C	REAL300029926156	1	51	0.0	-64.80	399.02	2.84	-61.96
CC(C)[N@@H+]1CCCC1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029926163	0	54	0.0	-63.19	395.54	3.61	-59.58
CC(C)[N@H+]1CCCC1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029926163	1	54	0.0	-67.34	395.32	3.79	-63.55
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300029926164	0	55	0.0	-66.69	409.39	4.97	-61.72
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CCC[N@H+]1C1CCCC1	REAL300029926164	1	55	0.0	-64.55	407.20	4.69	-59.86
CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)[NH+](C)C	REAL300029926194	0	50	0.0	-71.05	375.93	3.68	-67.37
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1	REAL300029926267	0	48	0.0	-63.59	371.27	3.46	-60.13
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1	REAL300029926267	1	48	0.0	-66.93	372.15	3.59	-63.34
CC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)[NH+]1C(C)CCC1C	REAL300029926372	0	54	0.0	-61.74	397.63	3.84	-57.90
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CCN(C)C1=CC=[NH+]C=C1	REAL300029926457	0	50	0.0	-60.46	399.89	3.20	-57.26
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029926471	1	47	0.0	-69.46	372.54	3.37	-66.09
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029926471	1	47	0.0	-63.81	377.69	3.70	-60.11
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CCC1CCC[N@@H+]1C	REAL300029926483	0	51	0.0	-71.46	389.64	3.93	-67.53
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CCC1CCC[N@H+]1C	REAL300029926483	1	51	0.0	-67.12	393.05	3.85	-63.27
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2	REAL300029926500	0	52	0.0	-70.66	382.68	3.76	-66.90
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CCC2CCCC[N@@H+]21	REAL300029926508	0	52	0.0	-63.96	393.98	4.51	-59.45
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CCC2CCCC[N@H+]21	REAL300029926508	1	52	0.0	-61.25	393.01	4.47	-56.78
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1	REAL300029926520	0	55	0.0	-67.05	407.65	2.75	-64.30
CC[NH+](CC)CC1=CC=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)O1	REAL300029926537	0	54	0.0	-75.05	421.93	4.44	-70.61
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1	REAL300029926542	0	54	0.0	-68.37	416.48	4.85	-63.52
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300029926545	1	51	0.0	-68.99	401.84	5.08	-63.91
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300029926545	1	51	0.0	-73.88	402.70	5.14	-68.74
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CC[NH+](C)CC1	REAL300029926563	0	48	0.0	-73.22	369.71	3.16	-70.06
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=NOC(C[NH+](C)C)=C1	REAL300029926636	1	47	0.0	-74.15	384.27	2.57	-71.58
CC1=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C=CC2=C[NH+]=CN21	REAL300029926638	0	46	0.0	-75.42	377.44	5.24	-70.18
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CCCC[N@@H+]1C	REAL300029926697	0	48	0.0	-63.52	368.02	3.17	-60.35
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CCCC[N@H+]1C	REAL300029926697	1	48	0.0	-68.80	368.02	3.14	-65.66
CC(C)C[N@@H+]1CCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029926734	0	54	0.0	-66.90	410.98	4.76	-62.14
CC(C)C[N@H+]1CCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029926734	1	54	0.0	-66.07	409.59	4.75	-61.32
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300029926923	0	43	0.0	-71.47	356.25	5.07	-66.40
CC1=[NH+]C=CN1CCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029926939	1	49	0.0	-63.54	396.17	4.43	-59.11
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CCCC[NH+]1CCOCC1	REAL300029926943	1	55	0.0	-71.51	423.42	3.12	-68.39
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300029926949	0	51	0.0	-78.57	404.07	5.10	-73.47
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC[NH+]1CCOCC1	REAL300029926950	1	49	0.0	-69.88	380.46	1.53	-68.35
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C(C)(C1=CC=CC=C1)[NH+](C)C	REAL300029926972	0	54	0.0	-79.37	401.48	5.13	-74.24
CCC[NH+](CCC)CCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029926980	0	59	0.0	-71.01	448.49	5.82	-65.19
CC[N@H+](C)C(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)C1=CC=CC=C1	REAL300029926981	0	54	0.0	-70.27	418.51	5.67	-64.60
CC[N@@H+](C)C(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)C1=CC=CC=C1	REAL300029926981	1	54	0.0	-67.75	418.51	5.61	-62.14
CC1=C[NH+]=CN1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029927008	1	43	0.0	-67.05	354.90	3.83	-63.22
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CN1C=[NH+]C2=C1CCCC2	REAL300029927022	1	50	0.0	-67.16	396.77	5.60	-61.56
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1	REAL300029927070	0	57	0.0	-59.06	404.59	4.86	-54.20
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CC=CC=C1CC[NH+](C)C	REAL300029927071	0	54	0.0	-64.61	414.56	5.78	-58.83
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1	REAL300029927078	0	57	0.0	-67.12	423.55	5.09	-62.03
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1	REAL300029927078	1	57	0.0	-68.28	423.55	5.08	-63.20
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2	REAL300029927084	0	49	0.0	-66.67	369.86	3.57	-63.10
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CCCC([NH+](C)C)C1	REAL300029927128	0	54	0.0	-69.00	404.88	4.42	-64.58
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC1CC[N@H+](C)C1	REAL300029927135	0	48	0.0	-66.97	371.53	3.14	-63.83
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC1CC[N@@H+](C)C1	REAL300029927135	1	48	0.0	-71.26	372.93	3.19	-68.07
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=C[NH+]=CC=C1N(C)C	REAL300029927149	0	47	0.0	-73.65	375.85	2.30	-71.35
CCC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)[NH+](C)C	REAL300029927155	0	47	0.0	-64.69	356.46	2.53	-62.16
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1	REAL300029927180	0	54	0.0	-68.56	389.00	3.99	-64.57
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300029927259	1	43	0.0	-76.14	356.50	5.09	-71.05
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300029927308	1	46	0.0	-82.32	385.76	3.01	-79.31
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CCCC[NH+](C)C	REAL300029927344	0	50	0.0	-73.01	391.30	3.75	-69.26
CC(C)C(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)[NH+](C)C	REAL300029927369	0	50	0.0	-67.91	372.94	3.24	-64.67
CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029927371	0	50	0.0	-67.70	386.74	3.43	-64.27
CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029927371	1	50	0.0	-67.39	386.75	3.48	-63.91
CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029927378	0	47	0.0	-69.54	365.29	2.98	-66.56
CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029927378	1	47	0.0	-64.92	364.46	2.95	-61.97
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C12CC[N@H+](C1)CCC2	REAL300029927411	0	49	0.0	-66.76	367.94	2.77	-63.99
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C12CC[N@@H+](C1)CCC2	REAL300029927411	1	49	0.0	-71.45	367.24	2.79	-68.66
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C	REAL300029927487	0	45	0.0	-61.47	351.42	2.62	-58.85
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C	REAL300029927487	1	45	0.0	-65.43	346.04	2.08	-63.35
CC1CC2CCC(C(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C)C[N@@H+]2C1	REAL300029927518	0	55	0.0	-67.40	414.12	4.91	-62.49
CC1CC2CCC(C(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C)C[N@H+]2C1	REAL300029927518	1	55	0.0	-65.17	413.23	4.87	-60.30
CCCCCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029927578	0	56	0.0	-65.62	428.85	5.25	-60.37
CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029927578	1	56	0.0	-65.99	428.85	5.24	-60.75
CC[NH+](CC)C(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)C(C)C	REAL300029927590	0	56	0.0	-61.63	400.14	4.08	-57.55
CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029927603	0	47	0.0	-63.89	356.74	2.64	-61.25
CCC[N@@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029927636	0	54	0.0	-64.94	408.89	4.57	-60.37
CCC[N@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029927636	1	54	0.0	-70.35	409.81	4.58	-65.77
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300029927649	0	58	0.0	-60.83	422.02	5.27	-55.56
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CCCC[N@H+]1C1CCCC1	REAL300029927649	1	58	0.0	-61.82	422.72	5.38	-56.44
CC(C)[N@@H+]1CCOC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029927662	1	52	0.0	-68.73	397.12	3.13	-65.60
CC(C)[N@H+]1CCOC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029927662	1	52	0.0	-80.26	398.00	3.15	-77.11
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1	REAL300029927706	0	51	0.0	-70.09	388.50	4.09	-66.00
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300029927740	1	46	0.0	-75.59	384.45	3.01	-72.58
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1	REAL300029927750	0	52	0.0	-76.67	406.01	3.65	-73.02
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1	REAL300029927770	0	48	0.0	-64.74	377.11	3.33	-61.41
CC1=[NH+]C=C2CCC(C(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C)CN21	REAL300029927771	1	50	0.0	-65.23	394.41	4.32	-60.91
CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)CC1	REAL300029927883	0	54	0.0	-65.10	400.38	4.15	-60.95
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CC[NH+](C)CC1	REAL300029927915	0	48	0.0	-73.22	369.71	3.16	-70.06
CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)[NH+](C)C	REAL300029927938	0	50	0.0	-65.94	371.79	3.69	-62.25
CCC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)[NH+](CC)CC	REAL300029927978	0	53	0.0	-63.01	389.44	4.05	-58.96
CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029928082	0	47	0.0	-66.93	365.26	2.75	-64.18
CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029928082	1	47	0.0	-66.92	365.23	2.69	-64.23
CC1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029928171	0	48	0.0	-62.64	370.53	3.31	-59.33
CC1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029928171	1	48	0.0	-66.62	371.24	3.35	-63.27
CC1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029928174	0	48	0.0	-69.17	372.06	3.30	-65.87
CC1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029928174	1	48	0.0	-64.15	370.46	3.31	-60.84
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1(F)CC[N@@H+](C(C)(C)C)C1	REAL300029928175	0	54	0.0	-61.39	407.87	3.85	-57.54
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1(F)CC[N@H+](C(C)(C)C)C1	REAL300029928175	1	54	0.0	-67.97	407.80	3.86	-64.11
CC1=[NH+]C=C2CC(C(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C)CCN21	REAL300029928177	1	50	0.0	-70.34	394.59	4.29	-66.05
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300029928179	0	54	0.0	-79.65	426.57	5.94	-73.71
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1	REAL300029928181	0	51	0.0	-69.27	391.64	3.81	-65.46
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1	REAL300029928181	1	51	0.0	-63.91	390.16	3.74	-60.17
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C	REAL300029928182	0	53	0.0	-69.84	396.15	4.11	-65.73
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C	REAL300029928182	1	53	0.0	-64.17	392.97	3.89	-60.28
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300029928183	0	54	0.0	-73.45	425.19	6.02	-67.43
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300029928183	1	54	0.0	-68.16	424.36	5.98	-62.18
CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)[NH+](C)C	REAL300029928195	0	47	0.0	-68.20	356.71	2.59	-65.61
CC(COCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)[NH+]1CCCC1	REAL300029928203	0	55	0.0	-69.80	425.26	4.34	-65.46
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1	REAL300029928320	0	55	0.0	-73.06	418.97	5.37	-67.69
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C1=CC=CC=C1	REAL300029928383	0	55	0.0	-80.80	428.19	5.89	-74.91
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C1=CC=CC=C1	REAL300029928383	1	55	0.0	-82.82	429.30	5.80	-77.02
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC1(O)CC[NH+](C)CC1	REAL300029928494	0	52	0.0	-65.14	395.68	1.80	-63.34
COCC[N@@H+]1CCCC1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029928503	0	55	0.0	-68.50	414.05	2.85	-65.65
COCC[N@H+]1CCCC1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029928503	1	55	0.0	-68.96	423.78	2.96	-66.00
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[NH+]1CCC(CO)CC1	REAL300029928516	1	52	0.0	-72.34	399.35	0.78	-71.56
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[NH+]1CCCCCC1	REAL300029928520	0	51	0.0	-65.81	376.33	3.57	-62.24
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[N+]1=CN(C)C=C1	REAL300029928525	0	43	0.0	-64.57	356.37	5.00	-59.57
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CCC[N@H+](C)C1	REAL300029928538	0	48	0.0	-62.25	363.46	3.32	-58.93
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CCC[N@@H+](C)C1	REAL300029928538	1	48	0.0	-61.74	364.36	3.38	-58.36
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CCC[N@@H+]1C1CC1	REAL300029928543	0	49	0.0	-64.37	382.03	4.04	-60.33
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CCC[N@H+]1C1CC1	REAL300029928543	1	49	0.0	-60.11	371.87	3.29	-56.82
CC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)[NH+]1CCC1	REAL300029928584	1	45	0.0	-60.78	355.13	2.42	-58.36
CCC(CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)C[NH+](C)C	REAL300029928596	0	53	0.0	-73.02	401.16	4.19	-68.83
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C(C)(C)C[NH+](C)C	REAL300029928605	0	50	0.0	-71.51	374.28	3.41	-68.10
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300029928629	0	50	0.0	-65.16	378.49	4.08	-61.08
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300029928629	1	50	0.0	-61.56	378.85	4.57	-56.99
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[NH+]1CCC(O)CC1	REAL300029928657	1	49	0.0	-74.43	378.88	0.10	-74.33
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[N@H+](C)C1CC1	REAL300029928659	0	45	0.0	-63.06	354.56	2.94	-60.12
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[N@@H+](C)C1CC1	REAL300029928659	1	45	0.0	-66.33	355.33	2.98	-63.35
CC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)N1CC[NH+](C)CC1	REAL300029928660	1	53	0.0	-55.91	396.04	1.05	-54.86
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC1C[NH+](C)C1	REAL300029928696	0	45	0.0	-69.01	356.60	2.36	-66.65
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CC[N@@H+]1C1CCCC1	REAL300029928700	0	52	0.0	-68.86	393.96	4.19	-64.67
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CC[N@H+]1C1CCCC1	REAL300029928700	1	52	0.0	-64.44	395.86	4.34	-60.10
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300029928709	0	51	0.0	-63.38	386.68	3.28	-60.10
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CC[N@H+]1C(C)(C)C	REAL300029928709	1	51	0.0	-69.76	370.65	3.10	-66.66
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300029928722	0	51	0.0	-65.17	400.47	2.11	-63.06
C[C@@H](C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)[NH+](C)C	REAL300029928726	0	44	0.0	-69.87	344.17	1.93	-67.94
CCC1CCC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029928785	0	54	0.0	-64.74	406.17	4.63	-60.11
CCC1CCC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029928785	1	54	0.0	-65.20	399.10	4.57	-60.63
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CC=C(C[NH+](C)C)N1	REAL300029928795	0	49	0.0	-79.42	391.72	2.99	-76.43
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC1CC2CCC(C1)[NH+]2C	REAL300029928812	0	55	0.0	-68.67	403.80	4.49	-64.18
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC(C1=CC=CC=C1)[NH+](C)C	REAL300029928819	0	54	0.0	-71.31	413.82	5.47	-65.84
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CN1C=CSC1=[NH2+]	REAL300029928867	0	41	0.0	-63.60	353.13	1.75	-61.85
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC[N@H+](C)CCO	REAL300029928880	0	48	0.0	-65.82	375.58	-0.52	-66.34
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC[N@@H+](C)CCO	REAL300029928880	1	48	0.0	-67.17	375.59	-0.48	-67.65
C[C@@H](C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)[NH+](C)C	REAL300029928881	0	44	0.0	-69.87	344.17	1.93	-67.94
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C	REAL300029928886	0	48	0.0	-57.85	367.09	3.09	-54.76
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C	REAL300029928886	1	48	0.0	-61.27	357.79	2.99	-58.28
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1C[N@@H+]2CCN1CC2C	REAL300029928897	0	51	0.0	-79.64	377.37	0.48	-79.16
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1C[N@H+]2CCN1CC2C	REAL300029928897	1	51	0.0	-63.42	378.05	0.47	-62.95
COC1C[N@@H+]2CCCC2(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029928951	0	53	0.0	-60.44	403.61	2.34	-58.10
COC1C[N@H+]2CCCC2(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029928951	1	53	0.0	-66.41	400.29	2.40	-64.01
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC1=CC2=C[NH+]=CN2C=C1	REAL300029928969	0	46	0.0	-68.68	380.48	5.76	-62.92
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[N@H+](C)C1CCSC1	REAL300029929006	0	49	0.0	-75.33	385.34	3.82	-71.51
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[N@@H+](C)C1CCSC1	REAL300029929006	1	49	0.0	-67.28	384.65	3.76	-63.52
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CC=NC(C[NH+](C)C)=C1	REAL300029929051	1	50	0.0	-69.39	400.23	3.59	-65.80
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C=C1CC[N@H+](C)C1	REAL300029929053	0	46	0.0	-70.42	363.06	3.06	-67.36
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C=C1CC[N@@H+](C)C1	REAL300029929053	1	46	0.0	-70.82	364.01	3.09	-67.73
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1C[NH+](C2CCCCC2)C1	REAL300029929084	0	55	0.0	-69.76	417.42	4.80	-64.96
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)COCC[NH+](C)C	REAL300029929105	0	48	0.0	-64.34	381.02	2.61	-61.73
CCCCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029929113	0	56	0.0	-68.45	429.75	5.05	-63.40
CCCCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029929113	1	56	0.0	-68.28	429.75	5.04	-63.24
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300029929125	0	52	0.0	-71.92	403.10	3.78	-68.14
C=CCC(C)(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)[NH+](C)C	REAL300029929137	0	51	0.0	-70.15	377.15	3.40	-66.75
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C(O)CC[S+](C)C	REAL300029929142	0	47	0.0	-76.68	390.08	1.18	-75.50
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1(C)CC(O)C[N@@H+]1C	REAL300029929185	0	49	0.0	-69.28	373.50	-0.31	-69.59
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CN(C)CC[N@H+](C)C1	REAL300029929200	0	53	0.0	-61.70	396.23	1.26	-60.44
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CN(C)CC[N@@H+](C)C1	REAL300029929200	1	53	0.0	-61.70	396.23	1.26	-60.44
CC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)[N@@H+]1CCCC(O)C1	REAL300029929201	0	52	0.0	-70.16	395.09	0.66	-69.50
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CN1CCC(CO)CC1	REAL300029929219	0	52	0.0	-72.34	399.35	0.78	-71.56
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[NH+]1CCC(CO)CC1	REAL300029929219	1	52	0.0	-72.34	399.35	0.78	-71.56
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC1(O)CCC[N@H+](C)C1	REAL300029929230	0	52	0.0	-65.48	392.64	1.95	-63.53
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC1(O)CCC[N@@H+](C)C1	REAL300029929230	1	52	0.0	-65.48	392.64	1.95	-63.53
CC1CN(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029929234	0	45	0.0	-65.78	355.29	2.69	-63.09
CC1C[NH+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029929234	1	45	0.0	-65.78	355.29	2.69	-63.09
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CN1CCC(C(N)=O)CC1	REAL300029929240	0	52	0.0	-81.24	403.59	0.15	-81.09
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[NH+]1CCC(C(N)=O)CC1	REAL300029929240	1	52	0.0	-81.24	403.59	0.15	-81.09
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CN(C)CCO	REAL300029929266	0	45	0.0	-66.99	353.21	-1.09	-68.08
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[N@H+](C)CCO	REAL300029929266	1	45	0.0	-69.32	353.89	-1.03	-70.35
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[N@@H+](C)CCO	REAL300029929266	1	45	0.0	-69.32	353.89	-1.03	-70.35
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C=C1CC2CCC(C1)[NH+]2C	REAL300029929299	0	53	0.0	-67.76	398.43	4.44	-63.32
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1C[N@@H+]2CCN1CCC2	REAL300029929304	0	51	0.0	-74.62	372.84	1.38	-73.24
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1C[N@H+]2CCN1CCC2	REAL300029929304	1	51	0.0	-74.62	372.84	1.38	-73.24
CC[N@@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029929315	0	51	0.0	-64.63	382.05	4.01	-60.62
CC[N@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029929315	1	51	0.0	-64.63	382.05	4.01	-60.62
CC(CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)C[NH+](C)C	REAL300029929317	0	50	0.0	-69.72	382.32	3.49	-66.23
CC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029929335	0	44	0.0	-69.42	343.75	2.20	-67.22
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C12CCC[N@@H+]1CCCC2	REAL300029929367	0	52	0.0	-65.57	380.55	4.11	-61.46
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C12CCC[N@H+]1CCCC2	REAL300029929367	1	52	0.0	-65.57	380.55	4.11	-61.46
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C12CCC[N@@H+]1CC=CC2	REAL300029929377	0	50	0.0	-62.18	373.59	3.81	-58.37
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C12CCC[N@H+]1CC=CC2	REAL300029929377	1	50	0.0	-62.18	373.59	3.81	-58.37
CC[N@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)C1CC1	REAL300029929410	0	48	0.0	-68.57	367.40	3.49	-65.08
CC[NH+](CC)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029929435	0	50	0.0	-70.55	379.53	3.25	-67.30
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CCCC[NH+]1CCCCC1	REAL300029929482	0	57	0.0	-68.32	432.18	5.52	-62.80
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(O)C1	REAL300029929520	0	49	0.0	-63.59	381.56	-0.11	-63.70
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C=CC[NH+](C)C	REAL300029929533	0	45	0.0	-72.03	362.44	2.81	-69.22
CC(OCC[NH+](C)C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029929564	0	51	0.0	-67.02	400.01	3.34	-63.68
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CCOCC[NH+](C)C	REAL300029929577	0	51	0.0	-69.99	401.98	2.29	-67.70
COCCN(C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029929578	0	48	0.0	-68.86	376.14	1.36	-67.50
COCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029929578	1	48	0.0	-71.62	376.38	1.38	-70.24
COCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029929578	1	48	0.0	-71.62	376.38	1.38	-70.24
COCCCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029929616	0	57	0.0	-71.09	441.92	3.33	-67.76
COCCCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029929616	1	57	0.0	-71.09	441.92	3.33	-67.76
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1([NH+](C)C)CCCC1	REAL300029929644	0	51	0.0	-73.78	375.45	3.87	-69.91
CC(CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)[NH+](C)C	REAL300029929647	0	50	0.0	-65.94	378.50	3.28	-62.66
CCN1CCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029929658	0	45	0.0	-69.16	357.69	2.55	-66.61
CC[N@@H+]1CCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029929658	1	45	0.0	-69.01	357.70	2.55	-66.46
CC[N@H+]1CCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029929658	1	45	0.0	-69.01	357.70	2.55	-66.46
CC(C)[N@@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029929674	0	54	0.0	-64.30	398.69	4.53	-59.77
CC(C)[N@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029929674	1	54	0.0	-64.30	398.69	4.53	-59.77
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CCN(C2=NC=CN2C)C1	REAL300029929675	0	52	0.0	-61.97	406.69	3.94	-58.03
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CCN(C2=[NH+]C=CN2C)C1	REAL300029929675	1	52	0.0	-61.97	406.69	3.94	-58.03
CC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)[N@H+](C)CC1=CC=CC=C1	REAL300029929682	0	54	0.0	-67.60	420.11	5.55	-62.05
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[N@@H+]1CCCC1CO	REAL300029929691	0	49	0.0	-67.68	371.88	0.09	-67.59
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300029929724	0	52	0.0	-61.79	392.38	4.27	-57.52
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CC2CCCC[N@H+]2C1	REAL300029929724	1	52	0.0	-61.79	392.38	4.27	-57.52
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1(C)CC[NH+](C)CC1	REAL300029929735	0	51	0.0	-64.93	382.50	3.65	-61.28
CC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)N1CCC(O)CC1	REAL300029929764	0	52	0.0	-69.27	389.38	0.41	-68.86
CC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)[NH+]1CCC(O)CC1	REAL300029929764	1	52	0.0	-69.27	389.38	0.41	-68.86
C#CC1(O)CCN(C(C)C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)CC1	REAL300029929773	0	54	0.0	-62.42	418.84	1.34	-61.08
C#CC1(O)CC[NH+](C(C)C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)CC1	REAL300029929773	1	54	0.0	-62.42	418.84	1.34	-61.08
C=CCC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)[NH+](C)C	REAL300029929785	0	48	0.0	-68.00	369.73	3.02	-64.98
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C12CCC([NH+](C)C)(CC1)CC2	REAL300029929798	0	58	0.0	-74.31	414.90	4.79	-69.52
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CC(C)(C)C[N@@H+]1C	REAL300029929806	0	51	0.0	-65.05	385.95	3.28	-61.77
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CCCCC[NH+](C)C	REAL300029929811	0	53	0.0	-72.54	412.79	4.54	-68.00
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CCC1[N@@H+]1CCOC(C)C1	REAL300029929844	0	56	0.0	-71.53	423.00	3.41	-68.12
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1C[N@@H+]2CCN1C(C)C2	REAL300029929872	0	51	0.0	-82.64	378.79	0.59	-82.05
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1C[N@H+]2CCN1C(C)C2	REAL300029929872	1	51	0.0	-67.36	365.67	0.66	-66.70
CCCC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)[NH+](C)C	REAL300029929874	0	50	0.0	-65.20	378.06	3.31	-61.89
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C(C)(C)[NH+](C)C	REAL300029929880	0	47	0.0	-68.97	352.50	2.72	-66.25
CC[NH+](CC)CCSCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029929929	0	54	0.0	-74.13	428.66	4.88	-69.25
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CCCC[N@@H+]1C	REAL300029929941	0	48	0.0	-63.52	368.02	3.17	-60.35
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CCCC[N@H+]1C	REAL300029929941	1	48	0.0	-68.80	368.02	3.14	-65.66
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC1=CC[N@H+](C)CC1	REAL300029930003	0	49	0.0	-66.83	384.38	3.88	-62.95
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC1=CC[N@@H+](C)CC1	REAL300029930003	1	49	0.0	-67.26	385.21	3.91	-63.35
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC1([NH+]2CCCC2)CC1	REAL300029930016	0	52	0.0	-67.35	392.21	4.31	-63.04
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1(C[NH+]2CCCC2)CCCC1	REAL300029930043	0	58	0.0	-64.42	423.18	5.42	-59.00
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C(C)(C)C1CCC[N@H+](C)C1	REAL300029930083	0	57	0.0	-72.06	415.22	4.70	-67.36
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C(C)(C)C1CCC[N@@H+](C)C1	REAL300029930083	1	57	0.0	-72.06	415.22	4.70	-67.36
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CC=C(CN(C)C)O1	REAL300029930088	0	48	0.0	-77.48	390.66	3.34	-74.14
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CC=C(C[NH+](C)C)O1	REAL300029930088	1	48	0.0	-77.48	390.66	3.34	-74.14
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C=CC[NH+]1CCCC1	REAL300029930115	0	49	0.0	-70.27	386.10	3.88	-66.39
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CC[NH+](C2CC2)CC1	REAL300029930147	0	52	0.0	-70.17	394.62	4.38	-65.79
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300029930172	0	48	0.0	-83.92	383.16	3.11	-80.81
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300029930172	1	48	0.0	-83.92	383.16	3.11	-80.81
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC[NH+]1CCCC1	REAL300029930178	0	48	0.0	-70.89	373.36	3.23	-67.66
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CC(=O)N(C2CN(C)C2)C1	REAL300029930189	0	53	0.0	-69.56	413.82	2.27	-67.29
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CC(=O)N(C2C[NH+](C)C2)C1	REAL300029930189	1	53	0.0	-69.56	413.82	2.27	-67.29
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C12CC(C1)C[N@@H+]2C	REAL300029930251	0	46	0.0	-62.88	356.77	2.64	-60.24
CC1=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C=NN1CC[NH+](C)C	REAL300029930267	0	54	0.0	-78.71	426.09	3.51	-75.20
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[N@@H+]1CC2CCC1C2	REAL300029930270	0	49	0.0	-63.66	369.31	3.47	-60.19
CC(C)[NH+]1CCC(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)CC1	REAL300029930287	0	57	0.0	-68.31	423.61	5.11	-63.20
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C=C1C[NH+]2CCC1CC2	REAL300029930342	0	50	0.0	-65.70	382.45	3.97	-61.73
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CN1CC2C=CC1C2	REAL300029930355	0	47	0.0	-65.14	364.88	3.45	-61.69
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[N@@H+]1CC2C=CC1C2	REAL300029930355	1	47	0.0	-63.08	364.42	3.48	-59.60
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[N@H+]1CC2C=CC1C2	REAL300029930355	1	47	0.0	-63.08	364.42	3.48	-59.60
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C(C[NH+](C)C)C1=CC=CC=C1	REAL300029930398	0	54	0.0	-79.17	421.93	5.65	-73.52
CC(C[NH+](C)C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029930432	0	47	0.0	-66.30	363.63	2.81	-63.49
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC1CCCC[N@@H+]1C	REAL300029930544	0	51	0.0	-65.73	377.85	3.61	-62.12
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC1CCCC[N@H+]1C	REAL300029930544	1	51	0.0	-65.73	377.85	3.61	-62.12
CC1=C2C=C(C(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C)C=CN2C=N1	REAL300029930567	0	46	0.0	-74.56	378.44	5.61	-68.95
CC1=C2C=C(C(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C)C=CN2C=[NH+]1	REAL300029930567	1	46	0.0	-74.56	378.44	5.61	-68.95
CC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)N1CC(C)C1	REAL300029930568	0	48	0.0	-60.80	376.49	3.11	-57.69
CC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)[NH+]1CC(C)C1	REAL300029930568	1	48	0.0	-60.80	376.49	3.11	-57.69
CC1CCN1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029930572	0	45	0.0	-67.30	351.83	2.34	-64.96
CC1CC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029930572	1	45	0.0	-69.12	357.39	2.62	-66.50
CC1CC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029930572	1	45	0.0	-69.12	357.39	2.62	-66.50
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC(O)C[NH+](C)C	REAL300029930577	0	48	0.0	-75.54	378.52	0.57	-74.97
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CN(C)CC(C)O1	REAL300029930618	0	49	0.0	-77.72	376.70	2.55	-75.17
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1C[N@H+](C)CC(C)O1	REAL300029930618	1	49	0.0	-84.82	384.63	2.75	-82.07
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1C[N@@H+](C)CC(C)O1	REAL300029930618	1	49	0.0	-84.82	384.63	2.75	-82.07
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC[NH+]1CCC(O)CC1	REAL300029930632	0	52	0.0	-69.41	400.28	0.60	-68.81
CCC[N@@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029930635	0	54	0.0	-65.07	397.04	4.37	-60.70
CCC[N@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029930635	1	54	0.0	-65.07	397.04	4.37	-60.70
CC[NH+]1CCN(CCC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)CC1	REAL300029930639	0	56	0.0	-67.92	423.79	2.18	-65.74
CCN1CC[NH+](CCC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)CC1	REAL300029930639	1	56	0.0	-67.92	423.79	2.18	-65.74
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300029930642	0	55	0.0	-55.23	399.82	4.96	-50.27
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300029930642	1	55	0.0	-55.23	399.82	4.96	-50.27
CC(C)C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)CC1	REAL300029930696	0	57	0.0	-67.47	426.55	5.32	-62.15
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CN1CCC([NH+](C)C)CC1	REAL300029930729	0	56	0.0	-69.60	418.48	2.26	-67.34
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300029930754	0	48	0.0	-67.42	375.76	3.26	-64.16
CC(CC[NH+](C)C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029930764	0	50	0.0	-72.06	385.97	3.51	-68.55
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300029930802	0	52	0.0	-64.86	396.51	0.94	-63.92
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CN1CCN(C)CC1	REAL300029930820	0	50	0.0	-69.43	384.20	1.02	-68.41
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CN1CC[NH+](C)CC1	REAL300029930820	1	50	0.0	-69.43	384.20	1.02	-68.41
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CSC(N)=[NH2+]	REAL300029930866	0	39	0.0	-72.02	334.58	-1.58	-73.60
CC[N@@H+]1CCOCC1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029930920	0	52	0.0	-70.00	389.80	1.85	-68.15
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1(CC[NH+](C)C)CCCC1	REAL300029930942	0	57	0.0	-78.35	427.85	5.03	-73.32
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC[NH+]1C(C)CCCC1C	REAL300029930944	0	57	0.0	-68.00	416.55	4.66	-63.34
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CCC([NH+](C)C)CC1	REAL300029930947	0	54	0.0	-50.07	397.45	4.21	-45.86
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1(CC[NH+](C)C)CC1	REAL300029930948	0	51	0.0	-59.73	397.80	4.20	-55.53
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300029930952	0	54	0.0	-48.68	397.43	4.19	-44.49
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC1CC=CC[N@@H+]1C	REAL300029930953	0	49	0.0	-67.32	376.42	3.60	-63.72
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC1CC=CC[N@H+]1C	REAL300029930953	1	49	0.0	-67.32	376.42	3.60	-63.72
C[C@@H](OCC[NH+](C)C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C	REAL300029930990	0	51	0.0	-60.84	400.82	3.28	-57.56
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CC2CCC(C1)[NH+]2C	REAL300029931034	0	52	0.0	-63.57	385.40	3.74	-59.83
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1(C2(O)CC[NH+](C)CC2)CC1	REAL300029931162	0	56	0.0	-69.03	415.75	2.51	-66.52
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1(CC[NH+]2CCCCC2)CC1	REAL300029931191	0	58	0.0	-66.31	440.82	6.00	-60.31
CC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1C)[NH+]1CCSCC1	REAL300029931217	1	49	0.0	-71.54	381.43	3.39	-68.15
CCC1C[NH+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029931220	1	48	0.0	-65.28	377.86	3.38	-61.90
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1C[NH+](C2CCOCC2)C1	REAL300029931222	0	53	0.0	-73.51	409.32	2.53	-70.98
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1([NH+]2CCCC2)CCC1	REAL300029931224	0	52	0.0	-66.59	385.38	4.26	-62.33
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C	REAL300029931236	1	45	0.0	-62.97	350.92	2.51	-60.46
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC[N@H+]1CCC(F)C1	REAL300029931246	1	48	0.0	-75.02	380.24	3.36	-71.66
COC1C[N@@H+](C)C(C)(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029931257	1	52	0.0	-60.91	396.05	1.93	-58.98
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC[NH+]1CCCCCC1	REAL300029931271	0	54	0.0	-69.07	399.16	4.18	-64.89
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[NH+]1CCCCC1	REAL300029931275	0	48	0.0	-69.28	367.83	3.42	-65.86
CC1C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)CC[N@@H+]1C	REAL300029931285	0	48	0.0	-71.17	367.10	2.83	-68.34
CC1C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)CC[N@H+]1C	REAL300029931285	1	48	0.0	-69.08	366.22	2.72	-66.36
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CCC1CCCC[N@@H+]1C	REAL300029931288	0	54	0.0	-68.45	407.10	4.47	-63.98
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CCC1CCCC[N@H+]1C	REAL300029931288	1	54	0.0	-65.73	399.10	4.24	-61.49
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CC[N@@H+]2CCOCC12	REAL300029931333	0	50	0.0	-65.01	381.61	1.67	-63.34
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CC[N@H+]2CCOCC12	REAL300029931333	1	50	0.0	-66.97	381.50	1.63	-65.34
CC1=[NH+]C=C2C=CC(C(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C)=CN21	REAL300029931342	0	46	0.0	-64.84	376.75	4.84	-60.00
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC1COCCN1C	REAL300029931365	0	49	0.0	-70.62	375.83	1.37	-69.25
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC1COCC[N@@H+]1C	REAL300029931365	1	49	0.0	-56.53	368.28	1.22	-55.31
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC1COCC[N@H+]1C	REAL300029931365	1	49	0.0	-70.62	375.83	1.37	-69.25
CC1=C(C)[NH+]=C(CCC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)N1	REAL300029931379	1	49	0.0	-61.43	395.43	2.81	-58.62
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300029931392	0	54	0.0	-73.39	426.73	5.88	-67.51
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CCN1CC1=CC=CC=C1	REAL300029931397	0	52	0.0	-73.82	417.55	5.53	-68.29
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300029931397	1	52	0.0	-67.64	416.67	5.52	-62.12
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CC[N@H+]1CC1=CC=CC=C1	REAL300029931397	1	52	0.0	-73.82	417.55	5.53	-68.29
CC(C)C[N@@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029931401	0	57	0.0	-68.76	427.25	5.28	-63.48
CC(C)C[N@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C1	REAL300029931401	1	57	0.0	-62.09	420.06	5.40	-56.69
C[C@H]1CN(C(=O)C2CCC[N@H+]2C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029931560	1	45	0.0	-58.69	349.20	2.36	-56.33
C[C@H]1CN(C(=O)C2CN(C)CCO2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029931585	0	46	0.0	-52.06	354.12	1.75	-50.31
C[C@H]1CN(C(=O)C2C[N@H+](C)CCO2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029931585	1	46	0.0	-70.65	353.88	1.70	-68.95
C[C@H]1CN(C(=O)C2C[N@@H+](C)CCO2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029931585	1	46	0.0	-52.06	354.12	1.75	-50.31
CC1=[NH+]C=CN1CCCC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029931758	1	49	0.0	-60.18	399.03	4.53	-55.65
C[C@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029931762	1	55	0.0	-69.07	427.23	3.31	-65.76
C[C@H]1CN(C(=O)C2=CC=C(C[NH+](C)C)C=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029931768	0	51	0.0	-73.36	401.05	4.67	-68.69
C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029931769	1	49	0.0	-67.36	384.15	1.73	-65.63
C[C@H]1CN(C(=O)C(C)(C2=CC=CC=C2)[NH+](C)C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029931791	0	54	0.0	-64.56	398.58	4.98	-59.58
CCC[NH+](CCC)CCCC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029931799	0	59	0.0	-64.71	446.23	5.62	-59.09
CC[N@@H+](C)C(C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029931800	1	54	0.0	-60.90	415.73	5.49	-55.41
C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029931821	0	49	0.0	-58.67	365.56	3.06	-55.61
C[C@H]1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029931841	1	43	0.0	-69.91	363.42	5.06	-64.85
C[C@H]1CN(C(=O)C2CCCC([NH+](C)C)C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029931931	0	54	0.0	-70.83	407.71	4.33	-66.50
C[C@H]1CN(C(=O)CC2CC[N@H+](C)C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029931938	0	48	0.0	-67.12	375.40	3.31	-63.81
C[C@H]1CN(C(=O)CC2CC[N@@H+](C)C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029931938	1	48	0.0	-63.37	374.86	3.18	-60.19
C[C@H]1CN(C(=O)C2=C[NH+]=CC=C2N(C)C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029931952	0	47	0.0	-65.31	379.02	1.52	-63.79
CCC(C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029931958	0	47	0.0	-60.17	355.20	2.65	-57.52
C[C@H]1CN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029931968	1	46	0.0	-73.22	384.84	3.34	-69.88
CC1CC2CCC(C(=O)N3C[C@H](C)[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300029932025	0	55	0.0	-64.17	408.89	4.93	-59.24
CC1CC2CCC(C(=O)N3C[C@H](C)[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300029932025	1	55	0.0	-63.57	416.00	4.84	-58.73
C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029932065	0	50	0.0	-66.13	393.51	3.84	-62.29
CC(C)C(C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029932092	0	50	0.0	-59.57	371.49	3.26	-56.31
CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029932094	0	50	0.0	-65.74	390.58	3.67	-62.07
CCC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029932094	1	50	0.0	-65.51	390.58	3.66	-61.85
CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029932101	0	47	0.0	-62.71	368.23	3.09	-59.62
CCC[N@@H+](C)CC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029932101	1	47	0.0	-60.34	367.29	3.00	-57.34
C[C@H]1CN(C(=O)C23CC[N@H+](C2)CCC3)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029932134	0	49	0.0	-70.73	360.50	2.49	-68.24
C[C@H]1CN(C(=O)C23CC[N@@H+](C2)CCC3)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029932134	1	49	0.0	-60.08	360.32	2.50	-57.58
CCCCCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029932190	0	56	0.0	-63.84	432.73	5.43	-58.41
CCCCCC[N@@H+](C)CC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029932190	1	56	0.0	-61.31	431.78	5.36	-55.95
CC[NH+](CC)C(C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300029932202	0	56	0.0	-53.19	401.62	4.05	-49.14
C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029932250	0	51	0.0	-62.67	391.90	4.17	-58.50
C[C@H]1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029932284	1	46	0.0	-74.08	382.05	2.73	-71.35
C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029932294	0	52	0.0	-69.33	408.08	3.82	-65.51
C[C@H]1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029932370	0	52	0.0	-62.01	392.55	4.26	-57.75
C[C@H]1CN(C(=O)C2CC3CCCC[N@H+]3C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029932370	1	52	0.0	-58.53	391.21	4.26	-54.27
C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029932391	0	48	0.0	-58.16	375.81	3.26	-54.90
CC1=[NH+]C=C2CCC(C(=O)N3C[C@H](C)[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300029932392	1	50	0.0	-59.68	396.85	4.26	-55.42
CC(C)[NH+]1CCC(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029932405	0	54	0.0	-63.14	407.52	4.41	-58.73
CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029932445	0	47	0.0	-64.94	369.06	2.93	-62.01
CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029932445	1	47	0.0	-64.79	369.06	2.92	-61.87
C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029932488	0	54	0.0	-70.14	386.97	4.41	-65.73
C[C@H]1CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029932491	0	58	0.0	-64.88	431.31	5.45	-59.43
C[C@H]1CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029932491	1	58	0.0	-64.45	430.20	5.44	-59.01
C[C@H]1CN(C(=O)C2C[NH+]3CCC2CC3)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029932509	0	49	0.0	-70.74	366.26	3.16	-67.58
C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029932614	0	48	0.0	-65.94	373.16	3.23	-62.71
CC(C)[C@H](C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029932637	0	50	0.0	-56.42	371.48	3.17	-53.25
C[C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029932745	0	55	0.0	-62.37	418.26	5.08	-57.29
CC[NH+](CC)CC(F)C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029932799	0	50	0.0	-64.91	386.22	3.30	-61.61
C[C@H]1CN(C(=O)C2=C(C[NH+](C)C)C=CS2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029932800	0	48	0.0	-58.25	388.27	3.83	-54.42
CC(C)C[N@@H+]1CCC(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029932850	0	54	0.0	-63.21	410.20	4.45	-58.76
CC(C)C[N@H+]1CCC(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029932850	1	54	0.0	-64.51	408.98	4.48	-60.03
C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029932854	0	48	0.0	-54.85	355.71	3.07	-51.78
CCC(C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029932896	0	53	0.0	-57.04	389.04	3.83	-53.21
CC1CCC[N@H+]1CC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029932929	0	48	0.0	-57.01	366.72	2.97	-54.04
CC1CCC[N@@H+]1CC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029932929	1	48	0.0	-59.76	367.62	3.06	-56.70
CC(C)C1=[NH+]C=CN1CCC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029933042	1	52	0.0	-59.16	414.44	4.87	-54.29
CC(C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300029933050	0	54	0.0	-58.99	395.43	4.05	-54.94
CC(C)[N@@H+]1CCCCC1C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029933053	0	54	0.0	-55.28	391.16	3.84	-51.44
CC(C)[N@H+]1CCCCC1C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029933053	1	54	0.0	-53.96	399.86	4.13	-49.83
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029933089	0	51	0.0	-57.85	378.78	3.94	-53.91
CC(C)[N@H+]1CCCC1C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029933089	1	51	0.0	-61.63	379.52	4.13	-57.50
C[C@H]1CN(C(=O)C2CCC[N@@H+]2C2CCOCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029933098	0	56	0.0	-60.68	417.24	3.04	-57.64
C[C@H]1CN(C(=O)C2CCC[N@H+]2C2CCOCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029933098	1	56	0.0	-58.98	411.55	3.47	-55.51
C[C@H]1CN(C(=O)C(CN2C=CC=N2)[NH+](C)C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029933100	1	51	0.0	-59.02	398.03	2.74	-56.28
CC(C)[N@@H+]1CCCC1CC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029933107	0	54	0.0	-58.31	399.87	3.77	-54.54
CC(C)[N@H+]1CCCC1CC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029933107	1	54	0.0	-53.44	396.70	3.71	-49.73
C[C@H]1CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029933108	0	55	0.0	-59.42	407.60	5.08	-54.34
C[C@H]1CN(C(=O)C2CCC[N@H+]2C2CCCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029933108	1	55	0.0	-57.95	409.65	5.07	-52.88
CC(C)[C@@H](C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029933138	0	50	0.0	-63.11	371.34	3.38	-59.73
CC1CC[N@H+](CC(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029933176	0	48	0.0	-59.66	374.21	3.32	-56.34
CC1CC[N@@H+](CC(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029933176	1	48	0.0	-59.16	373.47	3.28	-55.88
C[C@H]1CN(C(=O)C2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029933177	0	54	0.0	-54.63	404.97	3.79	-50.84
C[C@H]1CN(C(=O)C2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029933177	1	54	0.0	-63.33	405.35	3.84	-59.49
CC1=[NH+]C=C2CC(C(=O)N3C[C@H](C)[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300029933179	1	50	0.0	-59.84	398.19	4.32	-55.52
C[C@H]1CN(C(=O)C2=CC=C(CC[NH+](C)C)C=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029933181	0	54	0.0	-72.74	423.55	5.53	-67.21
C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029933183	0	51	0.0	-60.03	393.37	3.90	-56.13
C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029933183	1	51	0.0	-61.60	394.21	3.90	-57.70
C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029933184	0	53	0.0	-62.33	398.75	4.23	-58.10
C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029933184	1	53	0.0	-62.15	396.80	4.09	-58.06
C[C@H]1CN(C(=O)C[N@H+](C)CCC2=CC=CC=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029933185	0	54	0.0	-64.32	427.20	6.03	-58.29
C[C@H]1CN(C(=O)C[N@@H+](C)CCC2=CC=CC=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029933185	1	54	0.0	-66.77	428.10	6.13	-60.64
CC[C@@H](C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029933197	0	47	0.0	-60.19	355.20	2.65	-57.54
CC(COCC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300029933205	0	55	0.0	-59.90	426.64	4.42	-55.48
C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C2=CC=CC=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029933219	0	55	0.0	-72.72	427.12	5.79	-66.93
C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C2=CC=CC=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029933219	1	55	0.0	-74.70	427.37	5.72	-68.98
C[C@H]1CN(C(=O)CCN(C)C2=CC=[NH+]C=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029933392	0	50	0.0	-64.59	403.35	3.38	-61.21
CC1=[NH+]C=CN1CC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029933534	1	43	0.0	-57.41	357.49	3.20	-54.21
CC(C[NH+]1CCOCC1)C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029933536	0	52	0.0	-64.58	399.09	2.19	-62.39
C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029933559	0	54	0.0	-63.03	413.57	4.86	-58.17
C[C@H]1CN(C(=O)C2=NOC(C[NH+](C)C)=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029933585	1	47	0.0	-73.51	385.16	2.87	-70.64
CC1=C(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300029933587	0	46	0.0	-70.24	380.86	5.28	-64.96
CC(C)C1=[NH+]C=CN1CC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029933651	1	49	0.0	-56.72	393.71	4.32	-52.40
C[C@H]1CN(C(=O)C2CCCC3CCC[N@@H+]32)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029933716	0	52	0.0	-59.98	380.49	3.71	-56.27
C[C@H]1CN(C(=O)C2CCCC3CCC[N@H+]32)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029933716	1	52	0.0	-58.36	393.25	4.34	-54.02
CC[N@@H+]1CCOC(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029933765	1	49	0.0	-60.17	379.43	2.57	-57.60
CC[N@H+]1CCOC(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029933765	1	49	0.0	-77.23	372.00	2.45	-74.78
C[C@H]1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029933859	0	43	0.0	-70.21	363.25	5.04	-65.17
CC1=C[NH+]=CN1CC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029933864	1	43	0.0	-64.41	358.73	4.02	-60.39
C[C@H]1CN(C(=O)C2=CN(CC[NH+](C)C)N=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029933870	0	51	0.0	-73.80	407.07	2.78	-71.02
C[C@H]1CN(C(=O)C2=NN(CC[NH+](C)C)C=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029933887	0	51	0.0	-71.32	410.62	3.36	-67.96
C[C@@H]1[C@H](C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029933895	0	48	0.0	-68.45	364.47	2.64	-65.81
C[C@@H]1[C@H](C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029933895	1	48	0.0	-65.04	368.62	3.18	-61.86
CCC1=[NH+]C=CN1C(C)CC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029933899	1	52	0.0	-58.83	414.92	4.92	-53.91
CC[C@@H]1[C@@H](C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029933902	0	51	0.0	-66.78	381.53	3.25	-63.53
CC[C@@H]1[C@@H](C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029933902	1	51	0.0	-66.10	386.90	3.54	-62.56
CC1CCC(C)[NH+]1CC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029933934	0	51	0.0	-58.38	386.01	3.57	-54.81
C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029933945	0	51	0.0	-63.17	396.87	4.09	-59.08
C[C@H]1CN(C(=O)C2=CC=CC(C[NH+](C)C)=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029933946	0	51	0.0	-71.13	401.07	4.68	-66.45
C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029933957	0	50	0.0	-67.75	397.88	4.38	-63.37
C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029933959	0	51	0.0	-64.08	392.97	4.14	-59.94
C[C@H]1CN(C(=O)C2=CC=CC=C2C[NH+](C)C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029933964	0	51	0.0	-59.62	393.50	4.95	-54.67
CC[N@@H+]1CCCCC1C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029933976	0	51	0.0	-57.92	378.95	3.64	-54.28
CC[N@H+]1CCCCC1C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029933976	1	51	0.0	-60.40	378.17	3.51	-56.89
CC(C)C(C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029933977	0	57	0.0	-59.78	414.28	5.30	-54.48
C[C@H]1CN(C(=O)C(C2=CC=CC=C2)[NH+](C)C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029933981	1	51	0.0	-58.11	396.73	4.88	-53.23
C[C@H]1CN(C(=O)CN2C=[NH+]C3=C2CCCC3)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029933991	1	50	0.0	-63.43	400.56	5.74	-57.69
C[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029934040	0	57	0.0	-72.41	400.13	5.12	-67.29
C[C@H]1CN(C(=O)C2=CC=CC=C2CC[NH+](C)C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029934041	0	54	0.0	-53.48	420.22	5.47	-48.01
C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029934048	0	57	0.0	-62.11	426.48	5.21	-56.90
C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029934048	1	57	0.0	-65.44	427.34	5.29	-60.15
C[C@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029934052	0	54	0.0	-63.14	391.92	4.05	-59.09
C[C@H]1CN(C(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029934069	1	52	0.0	-70.62	406.11	2.56	-68.06
C[C@H]1CN(C(=O)C2=NNC(C3CCC[N@H+]3C)=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029934069	1	52	0.0	-72.05	405.29	2.53	-69.52
C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029934344	0	48	0.0	-61.10	375.04	3.67	-57.43
C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029934344	1	48	0.0	-60.36	375.08	3.66	-56.70
CC(C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300029934386	0	54	0.0	-58.56	396.46	4.03	-54.53
CC[NH+](CC)CC1=CC=C(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029934403	0	54	0.0	-63.20	425.51	4.88	-58.32
C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029934408	0	54	0.0	-66.10	420.27	5.02	-61.08
C[C@H]1CN(C(=O)C[N@H+](C)CC2=CC=CC=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029934411	1	51	0.0	-66.23	405.62	5.27	-60.96
C[C@H]1CN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029934411	1	51	0.0	-65.96	405.62	5.28	-60.68
C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029934429	0	48	0.0	-65.94	373.16	3.23	-62.71
C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029934515	0	45	0.0	-60.36	349.16	2.50	-57.86
C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029934515	1	45	0.0	-59.36	347.59	2.15	-57.21
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029934538	1	47	0.0	-59.45	373.31	3.33	-56.12
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029934538	1	47	0.0	-61.17	377.06	3.77	-57.40
C[C@H]1CN(C(=O)CCC2CCC[N@@H+]2C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029934550	0	51	0.0	-64.15	392.58	4.08	-60.07
C[C@H]1CN(C(=O)CCC2CCC[N@H+]2C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029934550	1	51	0.0	-61.97	389.94	3.65	-58.32
C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029934567	0	52	0.0	-65.64	375.27	3.32	-62.32
C[C@H]1CN(C(=O)C2CCC3CCCC[N@@H+]32)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029934575	0	52	0.0	-57.26	392.63	4.41	-52.85
C[C@H]1CN(C(=O)C2CCC3CCCC[N@H+]32)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029934575	1	52	0.0	-58.37	393.08	4.47	-53.90
CCC[N@@H+]1CCCC(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029934693	0	54	0.0	-61.54	407.53	4.39	-57.15
CCC[N@H+]1CCCC(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029934693	1	54	0.0	-58.54	401.33	4.53	-54.01
C[C@H]1CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029934706	0	58	0.0	-59.48	418.54	5.24	-54.24
C[C@H]1CN(C(=O)C2CCCC[N@H+]2C2CCCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029934706	1	58	0.0	-58.07	423.28	5.40	-52.67
CC(C)[N@@H+]1CCOC(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029934719	1	52	0.0	-64.27	396.27	3.16	-61.11
CC(C)[N@H+]1CCOC(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029934719	1	52	0.0	-69.72	395.48	3.09	-66.63
C[C@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029934743	0	55	0.0	-62.27	401.85	2.27	-60.00
C[C@H]1CN(C(=O)C2CCCC[N@@H+]2C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029934766	0	48	0.0	-55.42	368.65	3.16	-52.26
C[C@H]1CN(C(=O)C2CCCC[N@H+]2C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029934766	1	48	0.0	-61.58	369.62	3.25	-58.33
CC(C)C[N@@H+]1CCCC1C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029934804	0	54	0.0	-58.71	406.49	4.33	-54.38
CC(C)C[N@H+]1CCCC1C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029934804	1	54	0.0	-59.32	412.61	4.67	-54.65
C[C@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029934827	0	52	0.0	-64.17	402.41	0.86	-63.31
C[C@H]1CN(C(=O)C=C2CC3CCC(C2)[NH+]3C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029934876	0	53	0.0	-66.74	401.27	4.64	-62.10
CC1C(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029934898	0	48	0.0	-58.36	369.28	3.13	-55.23
CC1C(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029934898	1	48	0.0	-66.25	369.61	3.25	-63.00
C[C@H]1CN(C(=O)CCC2CCCC[N@@H+]2C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029934902	0	54	0.0	-61.34	409.34	4.56	-56.78
C[C@H]1CN(C(=O)CCC2CCCC[N@H+]2C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029934902	1	54	0.0	-63.53	409.13	4.55	-58.98
C[C@H]1CN(C(=O)C2=CC3=C(CCC3)[NH+]=C2N)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029934949	1	48	0.0	-56.53	382.23	2.45	-54.08
C[C@H]1CN(C(=O)C2CC[N@@H+]2C(C)(C)C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935047	0	51	0.0	-59.04	369.87	2.69	-56.35
C[C@H]1CN(C(=O)C2CC[N@H+]2C(C)(C)C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935047	1	51	0.0	-59.39	374.95	2.41	-56.98
C[C@H]1CN(C(=O)C2CCN(C3=CC=[NH+]C=C3)C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935069	0	51	0.0	-69.18	402.06	2.16	-67.02
C[C@@H](C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029935075	0	44	0.0	-60.71	344.83	1.98	-58.73
C[C@H]1CN(C(=O)C2=CC=NC(C[NH+](C)C)=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935098	1	50	0.0	-66.21	397.02	3.25	-62.96
C=CCC(C)(C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029935104	0	51	0.0	-77.06	370.36	3.58	-73.48
CC[NH+](CC)CCSCC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029935143	0	54	0.0	-66.33	430.66	4.94	-61.39
C[C@H]1CN(C(=O)C2=C(N)C3=CC=CC=C3[NH+]=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935144	1	47	0.0	-57.24	378.59	1.70	-55.54
C[C@H]1CN(C(=O)CC[NH+]2CCCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935149	0	48	0.0	-64.37	376.28	3.37	-61.00
C[C@H]1CN(C(=O)C[N@H+](C)CCO)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935159	1	45	0.0	-62.02	356.14	-0.97	-62.99
C[C@H]1CN(C(=O)C[N@@H+](C)CCO)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935159	1	45	0.0	-62.56	356.84	-0.88	-63.44
C[C@H]1CN(C(=O)C2C[N@@H+]3CCN2CCC3)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935210	0	51	0.0	-73.88	371.24	1.12	-72.76
C[C@H]1CN(C(=O)C2C[N@H+]3CCN2CCC3)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935210	1	51	0.0	-72.03	374.77	0.93	-71.10
CC(C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300029935258	1	49	0.0	-62.23	385.46	3.58	-58.65
C[C@H]1CN(C(=O)CC2=CC[N@H+](C)CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935319	0	49	0.0	-64.83	387.28	4.03	-60.80
C[C@H]1CN(C(=O)CC2=CC[N@@H+](C)CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935319	1	49	0.0	-64.82	388.09	4.03	-60.79
C[C@H]1CN(C(=O)C2CC(=O)N(C3C[NH+](C)C3)C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935333	1	53	0.0	-78.07	412.05	2.23	-75.84
C[C@H]1CN(C(=O)C(O)CC[S+](C)C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935341	0	47	0.0	-70.91	388.48	1.05	-69.86
C[C@H]1CN(C(=O)C2(C)CC(O)C[N@@H+]2C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935375	0	49	0.0	-65.78	367.26	-0.66	-66.44
C[C@H]1CN(C(=O)C2(C)CC(O)C[N@H+]2C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935375	1	49	0.0	-55.40	363.83	0.11	-55.29
C[C@H]1CN(C(=O)C2CN(C)CC[N@H+](C)C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935394	0	53	0.0	-61.93	400.00	1.57	-60.36
C[C@H]1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935394	1	53	0.0	-68.56	399.14	1.57	-66.99
CC(C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300029935395	0	52	0.0	-61.17	395.26	0.67	-60.50
CC(C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300029935395	1	52	0.0	-61.88	397.51	0.53	-61.35
C[C@H]1CN(C(=O)C2=C(N)[NH+]=CC3=C2CCC3)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935433	0	48	0.0	-63.48	389.50	2.51	-60.97
C[C@H]1CN(C(=O)CC2(O)CCC[N@H+](C)C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935443	0	52	0.0	-59.30	399.21	2.07	-57.23
C[C@H]1CN(C(=O)CC2(O)CCC[N@@H+](C)C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935443	1	52	0.0	-56.89	388.37	1.80	-55.09
CC1C[NH+](CC(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029935450	1	45	0.0	-63.33	360.21	2.82	-60.51
CC[N@@H+]1CCCC(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029935459	0	51	0.0	-62.71	380.31	3.96	-58.75
CC[N@H+]1CCCC(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029935459	1	51	0.0	-70.06	390.98	3.87	-66.19
C[C@H]1CN(C(=O)CC2=CC=C[NH+]=C2N)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935476	0	44	0.0	-57.68	362.30	1.42	-56.26
C[C@H]1CN(C(=O)C2CCC[N@@H+]2C2CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935492	0	49	0.0	-58.01	382.08	4.02	-53.99
C[C@H]1CN(C(=O)C2CCC[N@H+]2C2CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935492	1	49	0.0	-58.00	379.33	3.88	-54.12
C[C@H]1CN(C(=O)C2CCC2[N@@H+]2CCOC(C)C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935529	0	56	0.0	-59.47	431.54	3.54	-55.93
C[C@H]1CN(C(=O)C2CCC2[N@H+]2CCOC(C)C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935529	1	56	0.0	-63.62	413.73	3.74	-59.88
C[C@H]1CN(C(=O)C2=CC=C(C[NH+]3CCCC3)O2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935552	0	52	0.0	-66.56	415.81	4.62	-61.94
C[C@H]1CN(C(=O)C=CC[NH+]2CCCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935559	0	49	0.0	-66.40	388.06	3.98	-62.42
C[C@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935594	0	52	0.0	-65.65	391.12	4.15	-61.50
CC[N@H+](C)CC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029935657	0	44	0.0	-62.54	346.70	2.36	-60.18
C[C@H]1CN(C(=O)CN2CC3C=CC2C3)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935742	0	47	0.0	-59.43	367.92	3.57	-55.86
C[C@H]1CN(C(=O)C[N@@H+]2CC3C=CC2C3)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935742	1	47	0.0	-60.67	368.47	3.67	-57.00
C[C@H]1CN(C(=O)C[N@H+]2CC3C=CC2C3)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935742	1	47	0.0	-60.67	368.47	3.67	-57.00
CC1=CC=C(NCCC(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)N=C1	REAL300029935769	0	50	0.0	-59.11	406.92	3.02	-56.09
CC1=CC=C(NCCC(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)[NH+]=C1	REAL300029935769	1	50	0.0	-59.11	406.92	3.02	-56.09
C[C@H]1CN(C(=O)C2(C[NH+]3CCCC3)CCCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935829	0	58	0.0	-52.79	418.85	5.21	-47.58
C[C@H]1CN(C(=O)C2C[NH+]3CCN2CC3)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935860	0	48	0.0	-59.18	360.69	-0.18	-59.36
C[C@H]1CN(C(=O)C23CCC[N@@H+]2CCCC3)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935932	0	52	0.0	-58.95	375.81	3.46	-55.49
C[C@H]1CN(C(=O)C23CCC[N@H+]2CCCC3)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935932	1	52	0.0	-58.01	374.91	3.36	-54.65
C[C@H]1CN(C(=O)C23CCC[N@@H+]2CC=CC3)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935944	0	50	0.0	-57.74	368.37	3.28	-54.46
C[C@H]1CN(C(=O)C23CCC[N@H+]2CC=CC3)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935944	1	50	0.0	-58.80	369.47	3.26	-55.54
CC(OCC[NH+](C)C)C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029935960	0	51	0.0	-59.44	399.21	3.15	-56.29
C[C@H]1CN(C(=O)CCOCC[NH+](C)C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935974	0	51	0.0	-66.32	405.81	2.50	-63.82
COCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029935976	1	48	0.0	-62.09	379.10	1.52	-60.57
COCC[N@@H+](C)CC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029935976	1	48	0.0	-62.04	378.39	1.43	-60.61
C[C@H]1CN(C(=O)C2C[NH+](C3CCOC3)C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935979	0	50	0.0	-65.91	394.49	1.90	-64.01
CC(CCC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029935985	0	50	0.0	-67.80	382.60	3.44	-64.36
C[C@H]1CN(C(=O)C=C2CC[NH+](C)CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936016	0	49	0.0	-66.84	381.73	3.98	-62.86
CC[N@H+](CC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029936031	0	48	0.0	-56.39	376.90	3.63	-52.76
CC[N@@H+](CC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029936031	1	48	0.0	-58.53	369.41	3.50	-55.03
C[C@H]1CN(C(=O)C2([NH+](C)C)CCCSC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936036	0	52	0.0	-66.38	381.01	3.99	-62.39
C[C@H]1CN(C(=O)C2C[N@@H+]3CCN2C(C)C3)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936052	0	51	0.0	-72.76	378.01	0.40	-72.36
C[C@H]1CN(C(=O)C2C[N@H+]3CCN2C(C)C3)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936052	1	51	0.0	-71.89	377.75	0.38	-71.51
C[C@H]1CN(C(=O)C23CC(C2)C[N@@H+]3C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936095	0	46	0.0	-64.80	356.36	2.96	-61.84
C[C@H]1CN(C(=O)C23CC(C2)C[N@H+]3C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936095	1	46	0.0	-59.45	355.88	2.60	-56.85
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029936109	1	48	0.0	-62.80	392.16	2.28	-60.52
CC1=C(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C=NN1CC[NH+](C)C	REAL300029936116	0	54	0.0	-80.22	423.09	3.26	-76.96
C[C@H]1CN(C(=O)C[N@@H+]2CC3CCC2C3)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936119	0	49	0.0	-58.28	374.72	3.77	-54.51
C[C@H]1CN(C(=O)C[N@H+]2CC3CCC2C3)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936119	1	49	0.0	-61.11	375.65	3.81	-57.30
CC(C)[NH+]1CCC(CC(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029936140	0	57	0.0	-63.70	426.51	5.28	-58.42
CC(C[NH+](C)C)C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029936157	0	47	0.0	-62.91	362.15	2.64	-60.27
C[C@H]1CN(C(=O)C2C[N@H+](C)CC2C(F)(F)F)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936176	0	48	0.0	-72.82	381.53	3.04	-69.78
C[C@H]1CN(C(=O)C2C[N@@H+](C)CC2C(F)(F)F)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936176	1	48	0.0	-74.51	381.33	2.95	-71.56
C[C@H]1CN(C(=O)C2([NH+](C)C)CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936180	0	45	0.0	-64.83	350.62	2.13	-62.70
C[C@H](C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029936214	0	44	0.0	-60.04	344.87	1.97	-58.07
CC[N@@H+]1CCC1C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029936228	1	45	0.0	-60.41	359.04	2.57	-57.84
CC[N@H+]1CCC1C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029936228	1	45	0.0	-60.54	359.33	2.61	-57.93
CC(C)[N@@H+]1CCCC(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029936249	0	54	0.0	-62.39	396.93	4.48	-57.91
CC(C)[N@H+]1CCCC(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029936249	1	54	0.0	-57.90	396.43	4.35	-53.55
C[C@H]1CN(C(=O)C2CCN(C3=[NH+]C=CN3C)C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936251	1	52	0.0	-60.06	406.23	4.02	-56.04
CCC(C)(C)[NH2+]C(C)C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029936280	0	53	0.0	-57.79	388.55	1.88	-55.91
C#CC[N@H+]1CCCCC1C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029936345	1	50	0.0	-62.20	386.69	4.17	-58.03
C#CC[N@@H+]1CCCCC1C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029936345	1	50	0.0	-56.94	382.08	3.93	-53.01
CNC1=[NH+]C(C)=CC=C1C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029936349	1	47	0.0	-57.05	376.30	2.30	-54.75
C[C@H]1CN(C(=O)C2=C[NH+]=CC=C2N)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936351	0	41	0.0	-61.40	337.31	-0.39	-61.79
C[C@H]1CN(C(=O)C(CC2=CC=CC=C2)[NH+](C)C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936357	0	54	0.0	-63.51	413.76	5.44	-58.07
CCCC(C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029936368	0	50	0.0	-57.45	379.62	3.39	-54.06
C[C@H]1CN(C(=O)C(C)(C)[NH+](C)C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936378	0	47	0.0	-57.98	347.93	2.30	-55.68
CC(CC[NH+](C)C)C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029936409	0	50	0.0	-72.28	389.56	3.43	-68.85
C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936482	0	55	0.0	-66.53	400.03	4.28	-62.25
C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936482	1	55	0.0	-57.45	403.31	5.05	-52.40
C[C@H]1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936523	0	50	0.0	-61.03	382.92	4.19	-56.84
C[C@H]1CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936523	1	50	0.0	-57.52	377.79	4.69	-52.83
COCCCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029936580	0	57	0.0	-69.43	445.75	3.52	-65.91
COCCCC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029936580	1	57	0.0	-69.14	445.75	3.51	-65.63
C[C@H]1CN(C(=O)C23CCC([NH+](C)C)(CC2)CC3)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936586	0	58	0.0	-66.31	408.41	4.25	-62.06
C[C@H]1CN(C(=O)C2CC(C)(C)C[N@@H+]2C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936595	0	51	0.0	-57.59	386.05	3.43	-54.16
C[C@H]1CN(C(=O)C2CC(C)(C)C[N@H+]2C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936595	1	51	0.0	-65.14	394.64	3.67	-61.47
C[C@H]1CN(C(=O)CCCCC[NH+](C)C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936601	0	53	0.0	-66.69	415.01	4.62	-62.07
C[C@H]1CN(C(=O)CC[NH+]2CCC(O)CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936607	0	52	0.0	-64.47	403.16	0.71	-63.76
CCC[N@@H+]1CCCCC1C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029936613	0	54	0.0	-58.32	400.57	4.34	-53.98
CCC[N@H+]1CCCCC1C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029936613	1	54	0.0	-54.49	407.90	4.53	-49.96
CC[NH+]1CCN(CCC(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029936623	0	56	0.0	-65.19	426.41	2.22	-62.97
CCN1CC[NH+](CCC(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029936623	1	56	0.0	-65.48	427.48	2.38	-63.10
C[C@H]1CN(C(=O)CN2CC[NH+](C)CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936627	1	50	0.0	-67.20	388.00	1.20	-66.00
CC(C)C[NH+]1CCC(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029936785	0	57	0.0	-64.98	426.58	5.26	-59.72
C[C@H]1CN(C(=O)C2C[N@H+](C)CC(C)O2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936789	1	49	0.0	-71.26	374.73	2.50	-68.76
C[C@H]1CN(C(=O)C2C[N@@H+](C)CC(C)O2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936789	1	49	0.0	-87.87	375.63	2.32	-85.55
CCC1CCC[N@H+](CC(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029936835	0	54	0.0	-62.16	409.88	4.80	-57.36
CCC1CCC[N@@H+](CC(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029936835	1	54	0.0	-61.43	402.45	4.39	-57.04
C[C@H]1CN(C(=O)C2=CC=C(C[NH+](C)C)N2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936847	0	49	0.0	-86.82	390.31	2.95	-83.87
C[C@H]1CN(C(=O)C[NH+]2CC3CC3C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936873	0	46	0.0	-62.03	364.70	3.57	-58.46
C[C@H]1CN(C(=O)CC2([NH+]3CCCC3)CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936898	0	52	0.0	-58.69	393.21	4.39	-54.30
CC([NH2+]C1(CO)CCCC1)C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029936924	0	55	0.0	-62.12	393.05	-0.99	-63.11
C[C@H]1CN(C(=O)C2CCCC[N@@H+]2C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936965	0	48	0.0	-55.42	368.65	3.16	-52.26
C[C@H]1CN(C(=O)C2CCCC[N@H+]2C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936965	1	48	0.0	-61.58	369.62	3.25	-58.33
C[C@H]1CN(C(=O)C2CC[N@@H+]2CC2=CC=CC=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936974	1	52	0.0	-64.61	420.45	5.65	-58.96
C[C@H]1CN(C(=O)C2CC[N@H+]2CC2=CC=CC=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936974	1	52	0.0	-63.59	418.96	5.60	-57.99
CC(C)C[N@@H+]1CCCC(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029936981	0	57	0.0	-73.07	429.45	5.29	-67.78
CC(C)C[N@H+]1CCCC(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029936981	1	57	0.0	-64.73	416.07	5.27	-59.46
C[C@H]1CN(C(=O)CN2CCC([NH+](C)C)CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937067	0	56	0.0	-67.83	422.31	2.40	-65.43
C[C@H]1CN(C(=O)C=C2CC[N@H+](C)C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937160	0	46	0.0	-69.19	366.01	3.26	-65.93
C[C@H]1CN(C(=O)C=C2CC[N@@H+](C)C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937160	1	46	0.0	-69.24	367.07	3.21	-66.03
C[C@H]1CN(C(=O)CNC2=CC=[NH+]C=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937168	0	44	0.0	-63.90	364.59	0.97	-62.93
CC[NH+]1CCN(CC(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029937246	0	53	0.0	-65.80	405.74	1.87	-63.93
C[C@H]1CN(C(=O)C=C2C[NH+]3CCC2CC3)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937251	0	50	0.0	-62.69	383.55	4.07	-58.62
C[C@H]1CN(C(=O)C2([NH+](C)C)CCCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937311	0	51	0.0	-59.08	362.83	2.87	-56.21
C[C@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937328	0	52	0.0	-60.30	399.60	1.09	-59.21
C[C@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937328	1	52	0.0	-59.47	399.71	1.08	-58.39
CCC1C[NH+](CC(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029937336	0	48	0.0	-64.06	381.57	3.58	-60.48
C[C@H]1CN(C(=O)C2C[NH+](C3CCOCC3)C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937340	0	53	0.0	-67.22	410.57	2.63	-64.59
C[C@H]1CN(C(=O)C2([NH+]3CCCC3)CCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937343	0	52	0.0	-52.69	382.40	3.83	-48.86
C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937361	0	45	0.0	-62.49	346.74	2.11	-60.38
C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937361	1	45	0.0	-60.02	350.24	2.54	-57.48
CC[N@@H+]1CCOCC1CC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029937406	0	52	0.0	-63.63	392.34	2.07	-61.56
C[C@H]1CN(C(=O)C2=CC(=O)NC3=C2CCC[NH2+]3)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937415	0	49	0.0	-69.07	396.12	1.05	-68.02
C[C@H]1CN(C(=O)C2C[NH+](C3CCCCC3)C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937440	0	55	0.0	-65.11	419.95	4.98	-60.13
COC1C[N@@H+]2CCCC2(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029937462	0	53	0.0	-58.60	398.91	1.94	-56.66
COC1C[N@H+]2CCCC2(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029937462	1	53	0.0	-58.60	398.91	1.94	-56.66
C[C@H]1CN(C(=O)C2=CC=C3NC(N)=NC3=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937546	0	45	0.0	-63.32	367.08	2.44	-60.88
C[C@H]1CN(C(=O)C2=CC=C3NC(N)=[NH+]C3=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937546	1	45	0.0	-63.32	367.08	2.44	-60.88
C[C@H]1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937609	0	48	0.0	-67.26	377.43	3.40	-63.86
C[C@H]1CN(C(=O)C2(CC[NH+](C)C)CCCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937625	0	57	0.0	-57.10	419.81	4.73	-52.37
C[C@H]1CN(C(=O)CC[NH+]2C(C)CCCC2C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937627	0	57	0.0	-58.31	421.52	4.71	-53.60
C[C@H]1CN(C(=O)C2CCC([NH+](C)C)CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937630	0	54	0.0	-58.37	396.78	4.15	-54.22
C[C@H]1CN(C(=O)C2(CC[NH+](C)C)CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937631	0	51	0.0	-73.06	399.42	4.02	-69.04
C[C@H]1CN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937636	0	54	0.0	-58.30	396.86	4.13	-54.17
C[C@H]1CN(C(=O)CC2CC=CC[N@@H+]2C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937637	0	49	0.0	-65.40	379.01	3.75	-61.65
C[C@H]1CN(C(=O)CC2CC=CC[N@H+]2C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937637	1	49	0.0	-59.94	375.12	3.70	-56.24
CC1=CC(C=CC(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C[NH+]=C1N	REAL300029937717	1	48	0.0	-63.12	392.31	2.57	-60.55
C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937734	0	48	0.0	-61.79	383.92	2.73	-59.06
CCCCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029937742	0	56	0.0	-66.65	433.58	5.23	-61.42
CCCCC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029937742	1	56	0.0	-66.45	433.57	5.22	-61.23
C[C@H]1CN(C(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937759	0	52	0.0	-66.17	403.90	3.56	-62.61
C[C@H]1CN(C(=O)CN2C=CSC2=[NH2+])C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937796	0	41	0.0	-60.50	356.03	1.87	-58.63
C[C@@H](OCC[NH+](C)C)C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029937918	0	51	0.0	-62.12	400.15	3.29	-58.83
C[C@H]1CN(C(=O)C2(C3(O)CC[NH+](C)CC3)CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937923	0	56	0.0	-58.56	415.26	2.00	-56.56
C[C@H]1CN(C(=O)CC[NH+]2CCCCCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938016	0	54	0.0	-64.62	402.18	4.29	-60.33
C[C@H]1CN(C(=O)C2CCC[N@H+](C)C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938024	0	48	0.0	-63.91	363.12	3.31	-60.60
C[C@H]1CN(C(=O)C2CCC[N@@H+](C)C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938024	1	48	0.0	-63.91	363.12	3.31	-60.60
C[C@H]1CN(C(=O)C[NH+]2CCCCCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938032	0	51	0.0	-58.41	379.15	3.65	-54.76
C[C@H]1CN(C(=O)C[N+]2=CN(C)C=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938039	0	43	0.0	-62.71	360.19	5.23	-57.48
C[C@H]1CN(C(=O)C(C)(C)C2CCC[N@H+](C)C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938062	0	57	0.0	-67.43	408.68	4.31	-63.12
C[C@H]1CN(C(=O)C(C)(C)C2CCC[N@@H+](C)C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938062	1	57	0.0	-67.43	408.68	4.31	-63.12
C[C@H]1CN(C(=O)C2=CC=C(CN(C)C)O2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938068	0	48	0.0	-65.31	389.72	3.53	-61.78
C[C@H]1CN(C(=O)C2=CC=C(C[NH+](C)C)O2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938068	1	48	0.0	-65.31	389.72	3.53	-61.78
C[C@H]1CN(C(=O)CN2CCC(O)CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938102	0	49	0.0	-66.29	381.82	0.21	-66.08
C[C@H]1CN(C(=O)C[NH+]2CCC(O)CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938102	1	49	0.0	-66.29	381.82	0.21	-66.08
C[C@H]1CN(C(=O)C[N@H+](C)C2CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938110	0	45	0.0	-57.51	357.33	3.01	-54.50
CC(C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)N1CCN(C)CC1	REAL300029938112	0	53	0.0	-68.57	405.27	1.56	-67.01
CC(C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300029938112	1	53	0.0	-68.57	405.27	1.56	-67.01
C[C@H]1CN(C(=O)CC[N@@H+]2CCC(F)C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938120	0	48	0.0	-66.68	383.51	3.50	-63.18
COC1C[N@H+](C)C(C)(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029938139	0	52	0.0	-58.46	388.89	1.65	-56.81
C[C@H]1CN(C(=O)C2=CC=CC(CC[NH+](C)C)=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938162	0	54	0.0	-71.07	423.57	5.51	-65.56
CC(CC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029938169	0	50	0.0	-67.07	386.06	3.73	-63.34
C[C@H]1CN(C(=O)C2CC[N@@H+]3CCOCC23)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938196	0	50	0.0	-66.59	385.04	1.77	-64.82
C[C@H]1CN(C(=O)C2CC[N@H+]3CCOCC23)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938196	1	50	0.0	-66.59	385.04	1.77	-64.82
C[C@H]1CN(C(=O)CC2COCCN2C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938232	0	49	0.0	-58.98	371.96	1.44	-57.54
C[C@H]1CN(C(=O)CC2COCC[N@@H+]2C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938232	1	49	0.0	-68.63	379.57	1.57	-67.06
C[C@H]1CN(C(=O)CC2COCC[N@H+]2C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938232	1	49	0.0	-68.63	379.57	1.57	-67.06
C[C@H]1CN(C(=O)C(C[NH+](C)C)C2=CC=CC=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938244	0	54	0.0	-61.40	425.80	5.60	-55.80
CC1=CC(N)=NC=C1C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029938333	0	44	0.0	-64.73	355.60	0.91	-63.82
CC1=CC(N)=[NH+]C=C1C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029938333	1	44	0.0	-64.73	355.60	0.91	-63.82
C[C@H]1CN(C(=O)C2(CC[NH+]3CCCCC3)CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938369	0	58	0.0	-53.32	443.49	5.88	-47.44
C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(O)C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938411	0	49	0.0	-59.89	384.30	0.06	-59.83
C[C@H]1CN(C(=O)C2=CC=NN2CC[NH+](C)C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938422	0	51	0.0	-64.32	402.22	2.81	-61.51
C[C@H]1CN(C(=O)CC2C[NH+](C)C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938465	0	45	0.0	-64.56	360.15	2.45	-62.11
C[C@H]1CN(C(=O)C2CC[N@@H+]2C2CCCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938471	0	52	0.0	-59.13	391.89	4.00	-55.13
C[C@H]1CN(C(=O)C2CC[N@H+]2C2CCCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938471	1	52	0.0	-59.13	391.89	4.00	-55.13
C[C@H]1CN(C(=O)CC[N@H+](C)CCO)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938531	0	48	0.0	-65.39	379.41	-0.30	-65.69
C[C@H]1CN(C(=O)CC[N@@H+](C)CCO)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938531	1	48	0.0	-65.39	379.41	-0.30	-65.69
C[C@H]1CN(C(=O)CC2CCCC[N@@H+]2C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938560	0	51	0.0	-65.18	388.06	3.95	-61.23
C[C@H]1CN(C(=O)CC2CCCC[N@H+]2C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938560	1	51	0.0	-65.18	388.06	3.95	-61.23
CC1=C2C=C(C(=O)N3C[C@H](C)[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=N1	REAL300029938595	0	46	0.0	-77.87	374.82	5.25	-72.62
CC1=C2C=C(C(=O)N3C[C@H](C)[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029938595	1	46	0.0	-77.87	374.82	5.25	-72.62
CC1CCN1CC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029938602	0	45	0.0	-61.44	360.13	2.81	-58.63
CC1CC[N@@H+]1CC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029938602	1	45	0.0	-62.16	360.26	2.77	-59.39
CC1CC[N@H+]1CC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029938602	1	45	0.0	-62.16	360.26	2.77	-59.39
C[C@H]1CN(C(=O)C=CC[NH+](C)C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938623	0	45	0.0	-67.77	363.10	2.79	-64.98
C[C@H]1CN(C(=O)CN2CC(C)(C)C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938641	0	48	0.0	-62.54	379.39	3.26	-59.28
C[C@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938641	1	48	0.0	-62.54	379.39	3.26	-59.28
C[C@H]1CN(C(=O)CCCC[NH+]2CCCCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938656	0	57	0.0	-66.17	435.94	5.71	-60.46
CC1=C(C)NC(CCC(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029938673	0	49	0.0	-59.67	399.22	3.01	-56.66
CC1=C(C)[NH+]=C(CCC(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029938673	1	49	0.0	-59.67	399.22	3.01	-56.66
C[C@H]1CN(C(=O)C2=CC3=C(CN(C)CC3)S2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938674	0	49	0.0	-71.96	397.19	4.47	-67.49
C[C@H]1CN(C(=O)C2=CC3=C(C[N@H+](C)CC3)S2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938674	1	49	0.0	-71.22	397.15	4.44	-66.78
C[C@H]1CN(C(=O)C2=CC3=C(C[N@@H+](C)CC3)S2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938674	1	49	0.0	-71.22	397.15	4.44	-66.78
C[C@H]1CN(C(=O)C2(C3CC[NH+](C)CC3)CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938688	0	55	0.0	-71.70	413.79	4.78	-66.92
CC1=C2C=C(C(=O)N3C[C@H](C)[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=N1	REAL300029938699	0	46	0.0	-77.87	374.82	5.25	-72.62
CC1=C2C=C(C(=O)N3C[C@H](C)[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029938699	1	46	0.0	-77.87	374.82	5.25	-72.62
C[C@H]1CN(C(=O)CSCC[NH+](C)C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938715	0	48	0.0	-68.53	394.96	3.58	-64.95
CC(C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300029938737	0	54	0.0	-60.89	421.50	5.52	-55.37
C[C@H]1CN(C(=O)C2=CC3=C(CCCC3)N=C2N)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938741	0	51	0.0	-57.53	399.66	2.96	-54.57
C[C@H]1CN(C(=O)C2=CC3=C(CCCC3)[NH+]=C2N)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938741	1	51	0.0	-57.53	399.66	2.96	-54.57
C[C@H]1CN(C(=O)C[N@@H+]2CCCC2CO)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938750	0	49	0.0	-61.03	374.74	0.25	-60.78
CC[NH+](CC)CC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029938753	0	47	0.0	-61.34	360.47	2.78	-58.56
C[C@H]1CN(C(=O)C[N@H+](C)C2CCSC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938770	0	49	0.0	-67.28	388.31	3.93	-63.35
C[C@H]1CN(C(=O)CN2CCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938772	0	42	0.0	-61.00	338.24	2.10	-58.90
C[C@H]1CN(C(=O)C[NH+]2CCC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938772	1	42	0.0	-61.00	338.24	2.10	-58.90
CC[NH+](CC)CCC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029938840	0	50	0.0	-64.08	387.07	3.62	-60.46
C[C@H]1CN(C(=O)C[NH+]2CCC(C(N)=O)CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938866	0	52	0.0	-73.16	406.64	0.23	-72.93
C[C@H]1CN(C(=O)C2=CC(C[NH+](C)C)=CN2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938930	0	49	0.0	-65.20	389.69	3.07	-62.13
CC(C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300029938956	0	52	0.0	-60.31	397.52	0.52	-59.79
C[C@H]1CN(C(=O)C2CC3COCC[N@@H+]3C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938965	0	50	0.0	-65.05	383.96	1.83	-63.22
C[C@H]1CN(C(=O)C2CC3COCC[N@H+]3C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938965	1	50	0.0	-65.87	383.08	1.88	-63.99
CC(C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029938987	1	45	0.0	-58.43	351.50	2.38	-56.05
CCC(CC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029939001	0	53	0.0	-68.59	402.90	4.24	-64.35
C[C@H]1CN(C(=O)C=CC2=CC=C(N)[NH+]=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029939010	0	45	0.0	-66.02	375.60	1.87	-64.15
C[C@H]1CN(C(=O)C(C)(C)C[NH+](C)C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029939011	0	50	0.0	-57.43	368.08	3.12	-54.31
C[C@H]1CN(C(=O)CC(C2=CC=CC=C2)[NH+](C)C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029939058	0	54	0.0	-66.25	417.89	5.62	-60.63
C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029939101	0	48	0.0	-55.66	368.66	3.22	-52.44
C[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029939101	1	48	0.0	-58.23	356.81	2.75	-55.48
C[C@H]1CN(C(=O)C2C[N@@H+]3CCN2CC3C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029939119	0	51	0.0	-70.07	378.01	0.30	-69.77
C[C@H]1CN(C(=O)C2C[N@H+]3CCN2CC3C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029939119	1	51	0.0	-69.66	377.96	0.33	-69.33
C[C@H]1CN(C(=O)CC(O)C[NH+](C)C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029939155	0	48	0.0	-68.90	381.58	0.73	-68.17
C[C@H]1CN(C(=O)C2CC3CCC(C2)[NH+]3C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029939158	0	52	0.0	-71.37	388.05	3.76	-67.61
C#CC1(O)CC[NH+](C(C)C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029939200	0	54	0.0	-61.86	409.88	1.08	-60.78
C=CCC(C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029939215	0	48	0.0	-59.91	373.04	3.21	-56.70
C[C@H]1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029939231	0	52	0.0	-62.01	392.55	4.26	-57.75
C[C@H]1CN(C(=O)C2CC3CCCC[N@H+]3C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029939231	1	52	0.0	-58.53	391.21	4.26	-54.27
C[C@H]1CN(C(=O)C2(C)CC[NH+](C)CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029939249	0	51	0.0	-63.18	375.83	3.20	-59.98
C[C@H]1CN(C(=O)CC2(O)CC[NH+](C)CC2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029939255	0	52	0.0	-62.90	398.31	1.96	-60.94
COCC[N@@H+]1CCCC1CC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029939274	0	55	0.0	-63.50	417.20	3.03	-60.47
COCC[N@H+]1CCCC1CC(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029939274	1	55	0.0	-58.36	421.68	3.26	-55.10
C[C@H]1CN(C(=O)CC2CC3CCC(C2)[NH+]3C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029939290	0	55	0.0	-64.83	406.81	4.62	-60.21
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CC=NN1CC[NH+](C)C	REAL300029939335	0	51	0.0	-61.91	406.10	3.02	-58.89
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CC2=C(C[N@H+](C)CC2)S1	REAL300029939377	1	49	0.0	-79.62	400.01	4.67	-74.95
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CC2=C(C[N@@H+](C)CC2)S1	REAL300029939377	1	49	0.0	-77.01	399.21	4.56	-72.45
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1(C2CC[NH+](C)CC2)CC1	REAL300029939389	0	55	0.0	-72.23	411.75	5.03	-67.20
CC1=C2C=C(C(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C)C=CN2C=[NH+]1	REAL300029939402	1	46	0.0	-74.56	378.44	5.61	-68.95
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CSCC[NH+](C)C	REAL300029939417	0	48	0.0	-73.10	392.05	3.46	-69.64
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CC2COCC[N@@H+]2C1	REAL300029939429	0	50	0.0	-68.25	384.08	1.82	-66.43
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1CC2COCC[N@H+]2C1	REAL300029939429	1	50	0.0	-63.03	383.58	1.88	-61.15
C[N@@H+]1CCCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029939589	0	46	0.0	-67.59	345.69	3.31	-64.28
C[N@H+]1CCCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029939589	1	46	0.0	-67.84	348.66	3.54	-64.30
C[N@@H+]1CCOC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029939613	1	47	0.0	-81.34	359.53	2.95	-78.39
C[N@H+]1CCOC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029939613	1	47	0.0	-59.41	351.67	2.74	-56.67
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029939803	1	53	0.0	-69.22	412.31	5.97	-63.25
CC(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)[NH+]1CCCCCC1	REAL300029939810	0	55	0.0	-59.02	391.94	5.16	-53.86
CC(C)[N@@H+]1CCCCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029939813	0	55	0.0	-66.61	390.42	5.01	-61.60
CC(C)[N@H+]1CCCCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029939813	1	55	0.0	-63.23	397.45	5.20	-58.03
CC(C)[N@@H+]1CCCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029939848	0	52	0.0	-68.33	380.76	4.58	-63.75
CC(C)[N@H+]1CCCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029939848	1	52	0.0	-67.70	381.97	4.68	-63.02
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CC4CCCC[N@@H+]4C3)C[C@@H]21	REAL300029939875	0	53	0.0	-69.77	389.56	5.20	-64.57
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CC4CCCC[N@H+]4C3)C[C@@H]21	REAL300029939875	1	53	0.0	-70.01	394.24	5.41	-64.60
CC(C)C1=[NH+]C=CN1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029939911	1	50	0.0	-67.14	392.40	5.58	-61.56
CC1=[NH+]C=CN1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029939967	1	44	0.0	-66.26	356.53	4.30	-61.96
CC(C[NH+]1CCOCC1)C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029939969	0	53	0.0	-76.11	396.17	3.31	-72.80
O=C(CCC[NH+]1CCCCC1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029939991	0	55	0.0	-75.03	412.66	6.02	-69.01
CC(C)(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)[NH+]1CCCCC1	REAL300029940020	0	55	0.0	-66.70	382.14	5.61	-61.09
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3C[NH+]4CCC3CC4)C[C@@H]21	REAL300029940039	0	50	0.0	-88.30	363.93	4.34	-83.96
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CCCC4CCC[N@@H+]43)C[C@@H]21	REAL300029940102	0	53	0.0	-71.34	380.05	4.76	-66.58
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CCCC4CCC[N@H+]43)C[C@@H]21	REAL300029940102	1	53	0.0	-69.29	391.09	5.44	-63.85
C[NH+](C)CCN1C=C(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C=N1	REAL300029940104	0	52	0.0	-98.85	409.13	3.94	-94.91
C[NH+](C)CCN1C=CC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)=N1	REAL300029940120	0	52	0.0	-85.48	409.14	4.53	-80.95
C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)CC[N@@H+]1C	REAL300029940127	0	49	0.0	-83.06	363.02	3.79	-79.27
C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)CC[N@H+]1C	REAL300029940127	1	49	0.0	-79.83	368.86	3.96	-75.87
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029940130	1	53	0.0	-69.45	413.12	6.00	-63.45
CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)CC[N@@H+]1C	REAL300029940133	0	52	0.0	-79.43	380.30	4.32	-75.11
CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)CC[N@H+]1C	REAL300029940133	1	52	0.0	-78.44	385.98	4.60	-73.84
CC[N@@H+]1CCOC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029940159	1	50	0.0	-74.21	375.33	3.64	-70.57
CC[N@H+]1CCOC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029940159	1	50	0.0	-60.73	368.89	3.37	-57.36
CC[NH+](CC)CC(F)C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029940228	0	51	0.0	-55.83	388.93	4.72	-51.11
C[NH+](C)CC1=C(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)SC=C1	REAL300029940229	0	49	0.0	-56.03	390.36	5.15	-50.88
CC1CCC(C)[NH+]1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029940345	0	52	0.0	-67.18	383.84	4.61	-62.57
O=C(CCC[NH+]1CCCC1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029940352	0	52	0.0	-74.81	395.94	5.24	-69.57
C[NH+](C)CC1=CC=CC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)=C1	REAL300029940353	0	52	0.0	-64.82	403.84	5.86	-58.96
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)CC1	REAL300029940360	0	51	0.0	-82.96	396.43	5.54	-77.42
O=C(CC[NH+]1CCCCC1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029940361	0	52	0.0	-74.20	390.89	5.28	-68.92
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029940365	0	52	0.0	-51.17	402.57	5.93	-45.24
CC[N@@H+]1CCCCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029940375	0	52	0.0	-69.82	385.11	5.01	-64.81
CC[N@H+]1CCCCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029940375	1	52	0.0	-72.49	373.22	4.41	-68.08
CC(C)C(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)[NH+]1CCCCC1	REAL300029940376	0	58	0.0	-71.96	407.37	6.26	-65.70
C[NH+](C)C(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)C1=CC=CC=C1	REAL300029940379	1	52	0.0	-64.02	394.86	5.98	-58.04
CC(C)C[N@@H+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029940405	0	55	0.0	-75.73	408.94	5.60	-70.13
CC(C)C[N@H+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029940405	1	55	0.0	-75.02	407.14	5.62	-69.40
C[NH+](C)C1(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)CCC1	REAL300029940409	0	49	0.0	-69.38	351.59	3.53	-65.85
C[NH+](C)C(CN1C=CC=N1)C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029940411	1	52	0.0	-62.87	393.11	4.23	-58.64
CC(C)[N@@H+]1CCCC1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029940417	0	55	0.0	-69.17	395.47	4.96	-64.21
CC(C)[N@H+]1CCCC1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029940417	1	55	0.0	-61.96	397.16	4.93	-57.03
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CCC[N@@H+]3C3CCCC3)C[C@@H]21	REAL300029940418	0	56	0.0	-71.04	410.92	6.15	-64.89
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CCC[N@H+]3C3CCCC3)C[C@@H]21	REAL300029940418	1	56	0.0	-71.62	386.42	5.59	-66.03
CC(C)[C@@H](C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)[NH+](C)C	REAL300029940445	0	51	0.0	-74.82	365.57	4.43	-70.39
C[N@H+](CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)C1CCC1	REAL300029940511	0	49	0.0	-67.95	373.12	4.76	-63.19
C[N@@H+](CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)C1CCC1	REAL300029940511	1	49	0.0	-69.62	372.97	4.73	-64.89
CC(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)[NH+]1C(C)CCC1C	REAL300029940606	0	55	0.0	-65.61	398.53	5.32	-60.29
CN(CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)C1=CC=[NH+]C=C1	REAL300029940688	0	51	0.0	-68.63	401.85	4.42	-64.21
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029940701	1	48	0.0	-72.47	372.06	4.57	-67.90
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029940701	1	48	0.0	-71.25	378.81	4.97	-66.28
C[N@@H+]1CCCC1CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029940711	0	52	0.0	-81.16	390.60	5.15	-76.01
C[N@H+]1CCCC1CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029940711	1	52	0.0	-76.69	390.47	5.19	-71.50
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21	REAL300029940725	0	53	0.0	-95.10	373.96	4.41	-90.69
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CCC4CCCC[N@@H+]43)C[C@@H]21	REAL300029940733	0	53	0.0	-71.23	386.58	5.22	-66.01
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CCC4CCCC[N@H+]43)C[C@@H]21	REAL300029940733	1	53	0.0	-68.68	389.47	5.52	-63.16
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029940742	0	56	0.0	-65.30	400.67	3.55	-61.75
O=C(CCCC[NH+]1CCCC1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029940762	0	55	0.0	-77.15	418.48	6.11	-71.04
C[N@H+](CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)CC1=CC=CC=C1	REAL300029940765	1	52	0.0	-74.73	403.28	6.34	-68.39
C[N@@H+](CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)CC1=CC=CC=C1	REAL300029940765	1	52	0.0	-75.45	403.34	6.33	-69.12
C[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)CC1	REAL300029940783	0	49	0.0	-68.28	367.89	4.28	-64.00
C[NH+](C)CC1=CC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)=NO1	REAL300029940850	1	48	0.0	-76.83	382.58	3.99	-72.84
CC1=C(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C=CC2=C[NH+]=CN21	REAL300029940852	0	47	0.0	-83.98	379.69	6.30	-77.68
C[N@@H+]1CCCCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029940901	0	49	0.0	-70.45	367.07	4.30	-66.15
C[N@H+]1CCCCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029940901	1	49	0.0	-73.89	356.21	3.73	-70.16
CC(C)C[N@@H+]1CCCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029940935	0	55	0.0	-70.22	410.95	5.91	-64.31
CC(C)C[N@H+]1CCCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029940935	1	55	0.0	-68.56	407.11	5.71	-62.85
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)C[C@@H]21	REAL300029941101	0	44	0.0	-85.98	361.78	6.10	-79.88
CC1=[NH+]C=CN1CCCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029941116	1	50	0.0	-71.63	398.15	5.67	-65.96
O=C(CCCC[NH+]1CCOCC1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029941120	1	56	0.0	-80.31	425.40	4.37	-75.94
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C=C1	REAL300029941126	0	52	0.0	-80.65	403.80	5.86	-74.79
O=C(CC[NH+]1CCOCC1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029941127	1	50	0.0	-76.04	382.43	2.80	-73.24
C[NH+](C)C(C)(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)C1=CC=CC=C1	REAL300029941147	0	55	0.0	-86.66	399.92	6.10	-80.56
CCC[NH+](CCC)CCCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029941155	0	60	0.0	-74.94	449.69	6.99	-67.95
CC[N@H+](C)C(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)C1=CC=CC=C1	REAL300029941156	0	55	0.0	-73.31	416.25	6.74	-66.57
CC[N@@H+](C)C(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)C1=CC=CC=C1	REAL300029941156	1	55	0.0	-64.70	410.11	6.68	-58.02
CC1=C[NH+]=CN1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029941179	1	44	0.0	-73.82	356.39	5.19	-68.63
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029941192	1	51	0.0	-74.07	398.71	6.76	-67.31
C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)CCCCC1	REAL300029941240	0	58	0.0	-63.73	389.93	5.55	-58.18
C[NH+](C)CCC1=CC=CC=C1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029941241	0	55	0.0	-72.60	422.57	6.69	-65.91
C[N@H+](CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)C1CCCCC1	REAL300029941247	0	58	0.0	-75.79	425.54	6.37	-69.42
C[N@@H+](CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)C1CCCCC1	REAL300029941247	1	58	0.0	-75.33	425.27	6.43	-68.90
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21	REAL300029941252	0	50	0.0	-68.16	363.43	3.99	-64.17
C[NH+](C)C1CCCC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029941292	0	55	0.0	-71.52	404.28	5.43	-66.09
C[N@@H+]1CCC(CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029941299	0	49	0.0	-79.96	373.27	4.45	-75.51
C[N@H+]1CCC(CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029941299	1	49	0.0	-76.00	373.20	4.42	-71.58
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029941313	0	48	0.0	-70.91	378.11	2.49	-68.42
CCC(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)[NH+](C)C	REAL300029941319	0	48	0.0	-66.80	357.15	3.82	-62.98
C[NH+](C)C1(CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)CCCC1	REAL300029941343	0	55	0.0	-77.28	391.26	5.20	-72.08
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)C[C@@H]21	REAL300029941415	1	44	0.0	-74.05	356.13	5.88	-68.17
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=NN(C4=CC=[NH+]C=C4)C=C3)C[C@@H]21	REAL300029941460	1	47	0.0	-82.87	384.14	4.46	-78.41
C[NH+](C)CCCCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029941495	0	51	0.0	-78.69	392.48	4.91	-73.78
CC(C)C(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)[NH+](C)C	REAL300029941517	0	51	0.0	-65.30	370.33	4.32	-60.98
CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029941519	0	51	0.0	-75.08	388.71	4.73	-70.35
CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029941519	1	51	0.0	-74.89	388.72	4.74	-70.15
CCC[N@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029941526	0	48	0.0	-70.73	366.12	4.18	-66.55
CCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029941526	1	48	0.0	-70.98	366.12	4.17	-66.81
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C34CC[N@H+](C3)CCC4)C[C@@H]21	REAL300029941557	0	50	0.0	-74.10	361.32	3.60	-70.50
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C34CC[N@@H+](C3)CCC4)C[C@@H]21	REAL300029941557	1	50	0.0	-90.98	357.93	3.54	-87.44
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029941626	0	46	0.0	-64.27	345.36	3.31	-60.96
C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029941626	1	46	0.0	-68.16	349.10	3.63	-64.53
CC1CC2CCC(C(=O)N3CC[C@H]4CN(C(=O)C5=CC(=O)[N-]O5)[C@H]4C3)C[N@@H+]2C1	REAL300029941654	0	56	0.0	-77.72	406.09	5.98	-71.74
CC1CC2CCC(C(=O)N3CC[C@H]4CN(C(=O)C5=CC(=O)[N-]O5)[C@H]4C3)C[N@H+]2C1	REAL300029941654	1	56	0.0	-63.48	405.84	6.16	-57.32
CCCCCC[N@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029941711	0	57	0.0	-71.80	430.35	6.51	-65.29
CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029941711	1	57	0.0	-72.03	430.61	6.52	-65.51
CC[NH+](CC)C(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)C(C)C	REAL300029941722	0	57	0.0	-61.18	402.61	5.44	-55.74
CC[NH+](CC)CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029941733	0	48	0.0	-70.35	358.29	3.83	-66.52
CCC[N@@H+]1CCCC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029941767	0	55	0.0	-59.96	399.73	5.76	-54.20
CCC[N@H+]1CCCC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029941767	1	55	0.0	-60.56	409.50	5.70	-54.86
CC(C)[N@@H+]1CCOC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029941791	1	53	0.0	-81.86	387.54	4.07	-77.79
CC(C)[N@H+]1CCOC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029941791	1	53	0.0	-88.40	395.05	4.19	-84.21
CC1CC[NH+](CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)CC1	REAL300029941833	0	52	0.0	-71.30	389.44	5.24	-66.06
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)C[C@@H]21	REAL300029941865	1	47	0.0	-79.74	384.65	3.93	-75.81
C[NH+]1CCC(OCC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)CC1	REAL300029941875	0	53	0.0	-85.71	406.58	4.93	-80.78
C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)CC1	REAL300029941894	0	49	0.0	-82.42	375.14	4.28	-78.14
CC1=[NH+]C=C2CCC(C(=O)N3CC[C@H]4CN(C(=O)C5=CC(=O)[N-]O5)[C@H]4C3)CN21	REAL300029941895	1	51	0.0	-68.12	394.68	5.41	-62.71
CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)CC1	REAL300029942002	0	55	0.0	-74.80	401.44	5.28	-69.52
C[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)CC1	REAL300029942033	0	49	0.0	-68.28	367.89	4.28	-64.00
CC(C)[C@H](C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)[NH+](C)C	REAL300029942056	0	51	0.0	-67.92	370.14	4.55	-63.37
CCC(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)[NH+](CC)CC	REAL300029942095	0	54	0.0	-74.33	387.62	5.30	-69.03
CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029942194	0	48	0.0	-74.45	367.21	3.99	-70.46
CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029942194	1	48	0.0	-74.98	366.95	4.04	-70.94
CC1CCC[N@@H+]1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029942276	0	49	0.0	-67.35	373.12	4.38	-62.97
CC1CCC[N@H+]1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029942276	1	49	0.0	-68.58	372.18	4.49	-64.09
CC1CC[N@H+](CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029942279	0	49	0.0	-70.55	372.87	4.45	-66.10
CC1CC[N@@H+](CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029942279	1	49	0.0	-70.10	372.48	4.53	-65.57
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029942280	0	55	0.0	-72.48	404.92	4.99	-67.49
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029942280	1	55	0.0	-71.86	404.02	4.95	-66.91
CC1=[NH+]C=C2CC(C(=O)N3CC[C@H]4CN(C(=O)C5=CC(=O)[N-]O5)[C@H]4C3)CCN21	REAL300029942282	1	51	0.0	-72.81	394.83	5.46	-67.35
C[NH+](C)CCC1=CC=C(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C=C1	REAL300029942284	0	55	0.0	-83.03	426.30	6.71	-76.32
CC1(C)CC[N@H+](CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029942286	0	52	0.0	-70.19	391.69	5.02	-65.17
CC1(C)CC[N@@H+](CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029942286	1	52	0.0	-69.56	391.62	5.02	-64.54
C[N@H+](CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)CC(C)(C)C	REAL300029942287	0	54	0.0	-70.08	396.50	5.26	-64.82
C[N@@H+](CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)CC(C)(C)C	REAL300029942287	1	54	0.0	-71.43	396.41	5.29	-66.14
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029942288	0	55	0.0	-73.82	426.02	7.20	-66.62
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029942288	1	55	0.0	-73.54	426.03	7.20	-66.34
CC[C@@H](C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)[NH+](C)C	REAL300029942300	0	48	0.0	-69.52	352.35	3.60	-65.92
CC(COCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)[NH+]1CCCC1	REAL300029942308	0	56	0.0	-75.44	425.83	5.60	-69.84
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]21	REAL300029942410	0	56	0.0	-72.56	414.12	6.12	-66.44
C[NH+]1CCC(O)(CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)CC1	REAL300029942567	0	53	0.0	-73.63	397.19	3.09	-70.54
COCC[N@@H+]1CCCC1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029942574	0	56	0.0	-76.05	416.36	4.13	-71.92
COCC[N@H+]1CCCC1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029942574	1	56	0.0	-75.54	418.81	3.83	-71.71
C[NH+](C)CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029942582	0	42	0.0	-71.37	326.85	2.77	-68.60
O=C(C[NH+]1CCC(CO)CC1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029942587	0	53	0.0	-72.16	400.23	1.93	-70.23
O=C(C[NH+]1CCCCCC1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029942591	0	52	0.0	-68.00	378.06	4.74	-63.26
CN1C=C[N+](CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)=C1	REAL300029942596	0	44	0.0	-71.21	358.12	6.28	-64.93
C[N@@H+]1CCCC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029942607	0	49	0.0	-60.95	360.53	4.27	-56.68
C[N@H+]1CCCC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029942607	1	49	0.0	-64.55	362.15	4.38	-60.17
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CCC[N@@H+]3C3CC3)C[C@@H]21	REAL300029942613	0	50	0.0	-76.68	378.88	4.69	-71.99
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CCC[N@H+]3C3CC3)C[C@@H]21	REAL300029942613	1	50	0.0	-68.48	373.91	4.93	-63.55
CC(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)[NH+]1CCC1	REAL300029942653	1	46	0.0	-54.48	351.91	3.62	-50.86
CCC(CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)C[NH+](C)C	REAL300029942663	0	54	0.0	-84.50	401.90	5.38	-79.12
C[NH+](C)CC(C)(C)C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029942672	0	51	0.0	-74.55	367.00	3.91	-70.64
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)C[C@@H]21	REAL300029942696	0	51	0.0	-76.61	386.95	5.17	-71.44
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C34CC(C3)C[N@H+]4C3CC3)C[C@@H]21	REAL300029942696	1	51	0.0	-69.10	374.75	4.99	-64.11
O=C(C[NH+]1CCC(O)CC1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029942720	1	50	0.0	-73.87	379.62	1.28	-72.59
C[N@H+](CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)C1CC1	REAL300029942722	0	46	0.0	-67.37	356.13	4.17	-63.20
C[N@@H+](CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)C1CC1	REAL300029942722	1	46	0.0	-69.04	356.26	4.19	-64.85
CC(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)N1CC[NH+](C)CC1	REAL300029942723	1	54	0.0	-79.95	402.03	2.63	-77.32
C[NH+]1CC(CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029942753	0	46	0.0	-76.51	358.40	3.59	-72.92
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CC[N@@H+]3C3CCCC3)C[C@@H]21	REAL300029942757	0	53	0.0	-74.46	398.65	5.63	-68.83
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CC[N@H+]3C3CCCC3)C[C@@H]21	REAL300029942757	1	53	0.0	-73.09	390.74	5.21	-67.88
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029942766	0	52	0.0	-72.68	366.99	3.83	-68.85
CC(C)(C)[N@H+]1CCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029942766	1	52	0.0	-70.76	388.08	4.38	-66.38
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CCN(C4=CC=[NH+]C=C4)C3)C[C@@H]21	REAL300029942777	0	52	0.0	-69.62	396.30	2.96	-66.66
C[C@@H](C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)[NH+](C)C	REAL300029942780	0	45	0.0	-73.07	342.38	3.10	-69.97
CCC1CCC[N@H+](CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029942834	0	55	0.0	-71.22	400.39	5.43	-65.79
CCC1CCC[N@@H+](CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029942834	1	55	0.0	-71.03	407.96	5.89	-65.14
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)N1	REAL300029942843	0	50	0.0	-79.20	390.22	4.14	-75.06
C[NH+]1C2CCC1CC(CC(=O)N1CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C1)C2	REAL300029942858	0	56	0.0	-77.13	405.36	5.72	-71.41
C[NH+](C)C(CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)C1=CC=CC=C1	REAL300029942865	0	55	0.0	-57.62	414.01	6.69	-50.93
[NH2+]=C1SC=CN1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029942907	0	42	0.0	-63.41	354.14	2.95	-60.46
C[N@H+](CCO)CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029942921	0	49	0.0	-72.96	377.57	0.78	-72.18
C[N@@H+](CCO)CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029942921	1	49	0.0	-74.31	377.57	0.79	-73.52
C[C@@H](C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)[NH+](C)C	REAL300029942922	0	45	0.0	-73.07	342.38	3.10	-69.97
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029942927	0	49	0.0	-65.36	356.64	3.74	-61.62
C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029942927	1	49	0.0	-65.29	367.00	4.37	-60.92
CC1CN2CC[N@@H+]1CC2C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029942937	0	52	0.0	-73.24	374.81	1.33	-71.91
CC1CN2CC[N@H+]1CC2C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029942937	1	52	0.0	-86.31	376.39	1.40	-84.91
COC1C[N@@H+]2CCCC2(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029942990	0	54	0.0	-67.26	397.29	3.06	-64.20
COC1C[N@H+]2CCCC2(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029942990	1	54	0.0	-67.14	396.65	2.98	-64.16
O=C(CC1=CC2=C[NH+]=CN2C=C1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943006	0	47	0.0	-72.51	381.46	6.95	-65.56
C[N@H+](CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)C1CCSC1	REAL300029943040	0	50	0.0	-74.31	386.14	5.01	-69.30
C[N@@H+](CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)C1CCSC1	REAL300029943040	1	50	0.0	-77.89	386.51	4.95	-72.94
O=C(C[NH+]1CCC1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943041	1	43	0.0	-70.82	337.27	3.15	-67.67
C[NH+](C)CC1=CC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)=CC=N1	REAL300029943080	1	51	0.0	-64.37	400.02	4.47	-59.90
C[N@@H+]1CCC(=CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029943082	0	47	0.0	-69.01	365.17	4.27	-64.74
C[N@H+]1CCC(=CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029943082	1	47	0.0	-67.52	364.85	4.35	-63.17
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3C[NH+](C4CCCCC4)C3)C[C@@H]21	REAL300029943110	0	56	0.0	-76.10	417.98	6.14	-69.96
C[NH+](C)CCOCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943129	0	49	0.0	-72.25	382.52	3.88	-68.37
CCCCC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943136	0	57	0.0	-75.91	431.71	6.29	-69.62
CCCCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943136	1	57	0.0	-75.63	431.71	6.30	-69.33
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)O1	REAL300029943146	0	53	0.0	-77.51	401.12	4.82	-72.69
C=CCC(C)(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)[NH+](C)C	REAL300029943158	0	52	0.0	-62.85	371.15	4.14	-58.71
C[S+](C)CCC(O)C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943163	0	48	0.0	-76.16	388.46	2.21	-73.95
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943201	0	50	0.0	-66.53	368.59	0.20	-66.33
CN1CC[N@H+](C)CC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029943216	0	54	0.0	-73.29	398.09	2.29	-71.00
CN1CC[N@@H+](C)CC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029943216	1	54	0.0	-73.29	398.09	2.29	-71.00
CC(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)[N@@H+]1CCCC(O)C1	REAL300029943217	0	53	0.0	-64.21	395.87	1.53	-62.68
C[N@@H+]1CCCC(O)(CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029943244	0	53	0.0	-62.37	397.02	3.15	-59.22
C[N@H+]1CCCC(O)(CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029943244	1	53	0.0	-62.37	397.02	3.15	-59.22
CC1CN(CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029943248	0	46	0.0	-71.06	358.23	3.78	-67.28
CC1C[NH+](CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029943248	1	46	0.0	-71.06	358.23	3.78	-67.28
CN(CCO)CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943279	0	46	0.0	-73.50	354.97	0.19	-73.31
C[N@H+](CCO)CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943279	1	46	0.0	-70.76	354.75	0.20	-70.56
C[N@@H+](CCO)CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943279	1	46	0.0	-70.76	354.75	0.20	-70.56
C[NH+]1C2CCC1CC(=CC(=O)N1CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C1)C2	REAL300029943305	0	54	0.0	-67.67	398.77	5.41	-62.26
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3C[N@@H+]4CCN3CCC4)C[C@@H]21	REAL300029943310	0	52	0.0	-88.35	372.77	1.97	-86.38
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3C[N@H+]4CCN3CCC4)C[C@@H]21	REAL300029943310	1	52	0.0	-88.35	372.77	1.97	-86.38
CC[N@@H+]1CCCC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029943319	0	52	0.0	-78.31	388.98	4.98	-73.33
CC[N@H+]1CCCC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029943319	1	52	0.0	-78.31	388.98	4.98	-73.33
CC(CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)C[NH+](C)C	REAL300029943321	0	51	0.0	-76.15	384.28	4.84	-71.31
CC[N@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943338	0	45	0.0	-70.83	344.36	3.41	-67.42
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C34CCC[N@@H+]3CCCC4)C[C@@H]21	REAL300029943369	0	53	0.0	-68.81	374.17	4.38	-64.43
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C34CCC[N@H+]3CCCC4)C[C@@H]21	REAL300029943369	1	53	0.0	-68.81	374.17	4.38	-64.43
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C34CCC[N@@H+]3CC=CC4)C[C@@H]21	REAL300029943379	0	51	0.0	-69.48	368.15	4.39	-65.09
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C34CCC[N@H+]3CC=CC4)C[C@@H]21	REAL300029943379	1	51	0.0	-69.48	368.15	4.39	-65.09
CC[N@H+](CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)C1CC1	REAL300029943408	0	49	0.0	-67.45	373.56	4.74	-62.71
CC[NH+](CC)CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943433	0	51	0.0	-73.68	385.08	4.69	-68.99
CC1(C)CN(CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029943467	0	49	0.0	-71.45	377.53	4.42	-67.03
CC1(C)C[NH+](CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029943467	1	49	0.0	-71.45	377.53	4.42	-67.03
O=C(CCCC[NH+]1CCCCC1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943473	0	58	0.0	-76.90	434.13	6.78	-70.12
CC1(O)CC[N@H+](CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029943508	0	50	0.0	-72.64	383.03	1.17	-71.47
C[NH+](C)CC=CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943521	0	46	0.0	-62.89	363.03	4.04	-58.85
CC(OCC[NH+](C)C)C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943551	0	52	0.0	-67.69	397.67	4.36	-63.33
C[NH+](C)CCOCCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943563	0	52	0.0	-78.39	403.96	3.57	-74.82
COCCN(C)CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943564	0	49	0.0	-70.09	377.02	2.61	-67.48
COCC[N@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943564	1	49	0.0	-73.79	377.22	2.60	-71.19
COCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943564	1	49	0.0	-73.79	377.22	2.60	-71.19
COCCCC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943597	0	58	0.0	-78.63	443.89	4.59	-74.04
COCCCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943597	1	58	0.0	-78.63	443.89	4.59	-74.04
C[NH+](C)C1(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)CCCC1	REAL300029943623	0	52	0.0	-51.08	359.77	3.65	-47.43
CC(CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)[NH+](C)C	REAL300029943626	0	51	0.0	-73.16	384.51	4.54	-68.62
CCN1CCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943637	0	46	0.0	-68.01	349.85	3.41	-64.60
CC[N@@H+]1CCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943637	1	46	0.0	-72.08	357.92	3.73	-68.35
CC[N@H+]1CCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943637	1	46	0.0	-72.08	357.92	3.73	-68.35
CC(C)[N@@H+]1CCCC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029943652	0	55	0.0	-64.24	396.39	5.53	-58.71
CC(C)[N@H+]1CCCC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029943652	1	55	0.0	-64.24	396.39	5.53	-58.71
CC(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)[N@H+](C)CC1=CC=CC=C1	REAL300029943659	0	55	0.0	-71.46	418.75	6.70	-64.76
O=C(C[N@H+]1CCCC1CO)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943668	0	50	0.0	-66.54	372.76	1.32	-65.22
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CC4CCCC[N@@H+]4C3)C[C@@H]21	REAL300029943698	0	53	0.0	-70.01	394.24	5.41	-64.60
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CC4CCCC[N@H+]4C3)C[C@@H]21	REAL300029943698	1	53	0.0	-70.01	394.24	5.41	-64.60
C[NH+]1CCC(C)(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)CC1	REAL300029943708	0	52	0.0	-61.52	374.06	4.24	-57.28
C=CCC(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)[NH+](C)C	REAL300029943754	0	49	0.0	-67.89	371.85	4.34	-63.55
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943774	0	52	0.0	-66.80	385.35	4.48	-62.32
C[N@H+]1CC(C)(C)CC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943774	1	52	0.0	-66.80	385.35	4.48	-62.32
C[NH+](C)CCCCCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943779	0	54	0.0	-78.90	413.98	5.69	-73.21
CC1C[N@@H+]2CCN1C(C(=O)N1CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C1)C2	REAL300029943831	0	52	0.0	-75.18	373.66	1.46	-73.72
CCCC(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)[NH+](C)C	REAL300029943832	0	51	0.0	-67.90	378.84	4.58	-63.32
C[NH+](C)C(C)(C)C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943837	0	48	0.0	-69.22	339.47	3.70	-65.52
CC[NH+](CC)CCSCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943880	0	55	0.0	-80.75	425.03	5.88	-74.87
C[N@@H+]1CCCCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943892	0	49	0.0	-70.45	367.07	4.30	-66.15
C[N@H+]1CCCCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943892	1	49	0.0	-73.89	356.21	3.73	-70.16
C[N@H+]1CC=C(CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)CC1	REAL300029943948	0	50	0.0	-73.60	385.90	5.16	-68.44
C[N@@H+]1CC=C(CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)CC1	REAL300029943948	1	50	0.0	-70.51	386.29	5.09	-65.42
O=C(CC1([NH+]2CCCC2)CC1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943960	0	53	0.0	-70.64	391.98	5.57	-65.07
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029944019	0	58	0.0	-95.82	403.17	4.96	-90.86
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029944019	1	58	0.0	-95.82	403.17	4.96	-90.86
CN(C)CC1=CC=C(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)O1	REAL300029944024	0	49	0.0	-78.73	387.99	4.52	-74.21
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)O1	REAL300029944024	1	49	0.0	-78.73	387.99	4.52	-74.21
O=C(C=CC[NH+]1CCCC1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029944048	0	50	0.0	-61.38	386.70	5.12	-56.26
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CC[NH+](C4CC4)CC3)C[C@@H]21	REAL300029944077	0	53	0.0	-74.08	395.93	5.47	-68.61
O=C(CC[NH+]1CCCC1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029944106	0	49	0.0	-74.73	375.22	4.57	-70.16
C[N@@H+]1CC2CC1(C(=O)N1CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C1)C2	REAL300029944172	0	47	0.0	-82.00	353.80	3.89	-78.11
O=C(C[N@@H+]1CC2CCC1C2)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029944188	0	50	0.0	-69.60	371.07	4.62	-64.98
O=C(C[N@H+]1CC2CCC1C2)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029944188	1	50	0.0	-69.60	371.07	4.62	-64.98
CC(C)[NH+]1CCC(CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)CC1	REAL300029944202	0	58	0.0	-74.69	420.73	6.14	-68.55
O=C(C=C1C[NH+]2CCC1CC2)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029944254	0	51	0.0	-65.87	382.75	5.17	-60.70
O=C(CN1CC2C=CC1C2)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029944268	0	48	0.0	-66.11	365.92	4.65	-61.46
O=C(C[N@@H+]1CC2C=CC1C2)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029944268	1	48	0.0	-69.45	366.31	4.73	-64.72
O=C(C[N@H+]1CC2C=CC1C2)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029944268	1	48	0.0	-69.45	366.31	4.73	-64.72
C[NH+](C)CC(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)C1=CC=CC=C1	REAL300029944309	0	55	0.0	-57.83	421.31	6.71	-51.12
CC(C[NH+](C)C)C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029944338	0	48	0.0	-72.52	362.26	3.92	-68.60
C[N@@H+]1CCCCC1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029944443	0	52	0.0	-78.62	385.96	5.01	-73.61
C[N@H+]1CCCCC1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029944443	1	52	0.0	-78.62	385.96	5.01	-73.61
CC1=C2C=C(C(=O)N3CC[C@H]4CN(C(=O)C5=CC(=O)[N-]O5)[C@H]4C3)C=CN2C=N1	REAL300029944466	0	47	0.0	-81.29	383.81	6.70	-74.59
CC1=C2C=C(C(=O)N3CC[C@H]4CN(C(=O)C5=CC(=O)[N-]O5)[C@H]4C3)C=CN2C=[NH+]1	REAL300029944466	1	47	0.0	-81.29	383.81	6.70	-74.59
CC1CCN1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029944471	0	46	0.0	-68.52	352.97	3.55	-64.97
CC1CC[N@@H+]1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029944471	1	46	0.0	-69.53	353.12	3.66	-65.87
CC1CC[N@H+]1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029944471	1	46	0.0	-69.53	353.12	3.66	-65.87
C[NH+](C)CC(O)CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029944476	0	49	0.0	-80.18	379.50	1.85	-78.33
CC1CN(C)CC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)O1	REAL300029944515	0	50	0.0	-59.35	372.91	3.48	-55.87
CC1C[N@H+](C)CC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)O1	REAL300029944515	1	50	0.0	-76.85	371.90	3.78	-73.07
CC1C[N@@H+](C)CC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)O1	REAL300029944515	1	50	0.0	-76.85	371.90	3.78	-73.07
O=C(CC[NH+]1CCC(O)CC1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029944528	0	53	0.0	-76.75	401.95	1.91	-74.84
CCC[N@@H+]1CCCCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029944531	0	55	0.0	-71.04	393.17	5.22	-65.82
CCC[N@H+]1CCCCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029944531	1	55	0.0	-71.04	393.17	5.22	-65.82
CC[NH+]1CCN(CCC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)CC1	REAL300029944536	0	57	0.0	-75.09	424.62	3.33	-71.76
CCN1CC[NH+](CCC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)CC1	REAL300029944536	1	57	0.0	-75.09	424.62	3.33	-71.76
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C[C@@H]21	REAL300029944539	0	56	0.0	-63.14	400.56	6.14	-57.00
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]4CCCC[C@H]34)C[C@@H]21	REAL300029944539	1	56	0.0	-63.14	400.56	6.14	-57.00
CC(C)C[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)CC1	REAL300029944589	0	58	0.0	-80.13	427.75	6.45	-73.68
C[NH+](C)C1CCN(CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)CC1	REAL300029944617	0	57	0.0	-77.26	420.22	3.46	-73.80
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029944640	0	49	0.0	-79.70	376.06	4.52	-75.18
CC(CC[NH+](C)C)C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029944648	0	51	0.0	-75.96	384.90	4.47	-71.49
C[N@H+](CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)[C@@H]1CCC[C@H]1O	REAL300029944682	0	53	0.0	-67.37	397.78	2.12	-65.25
C#CCN1CCCCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029944692	0	51	0.0	-63.70	391.51	5.50	-58.20
C#CC[N@H+]1CCCCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029944692	1	51	0.0	-71.94	391.52	5.46	-66.48
C#CC[N@@H+]1CCCCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029944692	1	51	0.0	-71.94	391.52	5.46	-66.48
CN1CCN(CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)CC1	REAL300029944699	0	51	0.0	-76.55	386.17	2.23	-74.32
C[NH+]1CCN(CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)CC1	REAL300029944699	1	51	0.0	-76.55	386.17	2.23	-74.32
NC(=[NH2+])SCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029944745	0	40	0.0	-76.86	334.81	-0.20	-77.06
CC[N@H+]1CCOCC1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029944793	1	53	0.0	-72.47	390.77	3.08	-69.39
C[NH+](C)CCC1(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)CCCC1	REAL300029944812	0	58	0.0	-64.63	413.66	5.54	-59.09
CC1CCCC(C)[NH+]1CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029944814	0	58	0.0	-71.65	417.34	5.85	-65.80
C[NH+](C)C1CCC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)CC1	REAL300029944817	0	55	0.0	-73.40	404.60	5.47	-67.93
C[NH+](C)CCC1(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)CC1	REAL300029944818	0	52	0.0	-66.12	398.20	5.14	-60.98
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)CC1	REAL300029944822	0	55	0.0	-55.61	394.01	5.21	-50.40
C[N@@H+]1CC=CCC1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029944823	0	50	0.0	-75.42	378.24	4.80	-70.62
C[N@H+]1CC=CCC1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029944823	1	50	0.0	-79.87	378.00	4.88	-74.99
C[C@@H](OCC[NH+](C)C)C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029944855	0	52	0.0	-68.40	399.17	4.37	-64.03
C[NH+]1C2CCC1CC(C(=O)N1CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C1)C2	REAL300029944890	0	53	0.0	-64.35	371.68	4.49	-59.86
CC(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)N1CCSCC1	REAL300029945053	0	50	0.0	-70.74	376.88	4.50	-66.24
CC(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1)[NH+]1CCSCC1	REAL300029945053	1	50	0.0	-70.74	376.88	4.50	-66.24
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3C[NH+](C4CCOCC4)C3)C[C@@H]21	REAL300029945058	0	54	0.0	-76.15	409.51	3.66	-72.49
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3([NH+]4CCCC4)CCC3)C[C@@H]21	REAL300029945060	0	53	0.0	-74.65	378.06	4.74	-69.91
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029945071	0	46	0.0	-74.50	345.92	3.26	-71.24
O=C(CC[N@H+]1CCC(F)C1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029945081	0	49	0.0	-75.39	381.44	4.54	-70.85
COC1C[N@H+](C)C(C)(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029945090	0	53	0.0	-64.07	387.27	2.00	-62.07
O=C(CC[NH+]1CCCCCC1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029945103	0	55	0.0	-77.47	400.88	5.46	-72.01
CC1C(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)CC[N@@H+]1C	REAL300029945116	0	49	0.0	-76.01	361.79	3.77	-72.24
CC1C(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)CC[N@H+]1C	REAL300029945116	1	49	0.0	-76.01	361.79	3.77	-72.24
C[N@@H+]1CCCCC1CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029945119	0	55	0.0	-81.64	400.76	5.55	-76.09
C[N@H+]1CCCCC1CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029945119	1	55	0.0	-81.64	400.76	5.55	-76.09
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CC[N@@H+]4CCOCC34)C[C@@H]21	REAL300029945157	0	51	0.0	-81.69	382.56	2.84	-78.85
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CC[N@H+]4CCOCC34)C[C@@H]21	REAL300029945157	1	51	0.0	-81.69	382.56	2.84	-78.85
CN1CCOCC1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029945188	0	50	0.0	-71.60	369.83	2.46	-69.14
C[N@@H+]1CCOCC1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029945188	1	50	0.0	-60.69	369.92	2.48	-58.21
C[N@H+]1CCOCC1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029945188	1	50	0.0	-60.69	369.92	2.48	-58.21
CC1=C(C)NC(CCC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)=N1	REAL300029945200	0	50	0.0	-68.49	397.35	4.06	-64.43
CC1=C(C)[NH+]=C(CCC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)N1	REAL300029945200	1	50	0.0	-68.49	397.35	4.06	-64.43
C[NH+](C)CCC1=CC=CC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)=C1	REAL300029945212	0	55	0.0	-67.84	426.33	6.70	-61.14
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CCN3CC3=CC=CC=C3)C[C@@H]21	REAL300029945216	0	53	0.0	-75.97	417.58	6.73	-69.24
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CC[N@@H+]3CC3=CC=CC=C3)C[C@@H]21	REAL300029945216	1	53	0.0	-76.11	417.71	6.65	-69.46
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CC[N@H+]3CC3=CC=CC=C3)C[C@@H]21	REAL300029945216	1	53	0.0	-76.11	417.71	6.65	-69.46
CC(C)C[N@@H+]1CCCC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029945220	0	58	0.0	-61.30	423.95	6.36	-54.94
CC(C)C[N@H+]1CCCC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C1	REAL300029945220	1	58	0.0	-61.30	423.95	6.36	-54.94
C[N@@H+]1CCCC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029945388	0	46	0.0	-66.99	344.61	3.14	-63.85
CN1CCOC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029945414	0	47	0.0	-71.59	351.52	2.81	-68.78
C[N@@H+]1CCOC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029945414	1	47	0.0	-91.66	359.45	3.03	-88.63
C[N@H+]1CCOC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029945414	1	47	0.0	-91.66	359.45	3.03	-88.63
CC1=NC=CN1CCCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029945584	0	50	0.0	-72.08	397.43	5.65	-66.43
CC1=[NH+]C=CN1CCCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029945584	1	50	0.0	-72.08	397.43	5.65	-66.43
O=C(CCCCN1CCOCC1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029945588	0	56	0.0	-79.73	424.18	4.30	-75.43
O=C(CCCC[NH+]1CCOCC1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029945588	1	56	0.0	-79.73	424.18	4.30	-75.43
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C=C1	REAL300029945592	0	52	0.0	-94.10	399.31	5.69	-88.41
O=C(CCN1CCOCC1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029945593	0	50	0.0	-73.05	380.85	2.76	-70.29
O=C(CC[NH+]1CCOCC1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029945593	1	50	0.0	-73.05	380.85	2.76	-70.29
CCC[NH+](CCC)CCCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029945613	0	60	0.0	-72.79	444.30	6.72	-66.07
O=C(C1=CC2=CN=CN2C=C1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029945641	0	44	0.0	-86.26	351.21	5.81	-80.45
O=C(C1=CC2=C[NH+]=CN2C=C1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029945641	1	44	0.0	-86.26	351.21	5.81	-80.45
C[NH+](C)C1CCCC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029945711	0	55	0.0	-62.20	396.54	5.19	-57.01
C[N@@H+]1CCC(CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029945718	0	49	0.0	-73.88	372.26	4.35	-69.53
C[N@H+]1CCC(CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029945718	1	49	0.0	-73.88	372.26	4.35	-69.53
CCC(C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[NH+](C)C	REAL300029945735	0	48	0.0	-62.48	355.96	3.64	-58.84
O=C(C1=NN(C2=CC=NC=C2)C=C1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029945745	0	47	0.0	-97.02	384.06	4.20	-92.82
O=C(C1=NN(C2=CC=[NH+]C=C2)C=C1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029945745	1	47	0.0	-97.02	384.06	4.20	-92.82
CC1CC2CCC(C(=O)N3C[C@@H]4CCN(C(=O)C5=CC(=O)[N-]O5)C[C@@H]43)C[N@@H+]2C1	REAL300029945790	0	56	0.0	-63.55	406.22	6.09	-57.46
CC1CC2CCC(C(=O)N3C[C@@H]4CCN(C(=O)C5=CC(=O)[N-]O5)C[C@@H]43)C[N@H+]2C1	REAL300029945790	1	56	0.0	-63.55	406.22	6.09	-57.46
C[NH+](C)CCCCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029945823	0	51	0.0	-78.56	391.79	4.88	-73.68
CCC[N@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029945844	0	51	0.0	-73.94	387.76	4.68	-69.26
CCC[N@@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029945844	1	51	0.0	-73.94	387.76	4.68	-69.26
CCC[N@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029945849	0	48	0.0	-68.27	365.65	4.17	-64.10
CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029945849	1	48	0.0	-68.33	365.66	4.15	-64.18
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C34CC[N@H+](C3)CCC4)[C@H]2C1	REAL300029945873	0	50	0.0	-76.72	362.82	3.78	-72.94
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C34CC[N@@H+](C3)CCC4)[C@H]2C1	REAL300029945873	1	50	0.0	-76.24	363.66	3.70	-72.54
CCCCCC[N@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029945915	0	57	0.0	-69.43	430.15	6.51	-62.92
CCCCCC[N@@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029945915	1	57	0.0	-69.43	430.15	6.50	-62.93
CC1CC[NH+](CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300029945964	0	52	0.0	-70.79	389.38	5.22	-65.57
O=C(C1=CN(C2=CC=[NH+]C=C2)N=C1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029945990	1	47	0.0	-83.58	381.00	3.85	-79.73
C[NH+]1CCC(OCC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300029945998	0	53	0.0	-85.75	405.45	4.79	-80.96
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CC4CCCC[N@@H+]4C3)[C@H]2C1	REAL300029946058	0	53	0.0	-70.14	392.97	5.36	-64.78
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CC4CCCC[N@H+]4C3)[C@H]2C1	REAL300029946058	1	53	0.0	-69.01	393.20	5.48	-63.53
C[NH+](C)CC1(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300029946072	0	49	0.0	-81.15	374.53	4.32	-76.83
CC1=[NH+]C=C2CCC(C(=O)N3C[C@@H]4CCN(C(=O)C5=CC(=O)[N-]O5)C[C@@H]43)CN21	REAL300029946073	1	51	0.0	-69.71	390.51	5.19	-64.52
CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300029946083	0	55	0.0	-79.29	399.53	5.15	-74.14
CC[N@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029946118	0	48	0.0	-73.23	366.26	3.93	-69.30
CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029946118	1	48	0.0	-73.23	366.27	3.93	-69.30
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3C[NH+]4CCC3CC4)[C@H]2C1	REAL300029946165	0	50	0.0	-87.61	366.26	4.43	-83.18
C[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300029946254	0	49	0.0	-81.47	366.56	4.19	-77.28
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@H]2C1	REAL300029946347	0	56	0.0	-81.26	419.81	6.42	-74.84
CC[NH+](CC)CC(F)C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029946391	0	51	0.0	-74.33	383.84	4.42	-69.91
CC(C)C[N@@H+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029946426	0	55	0.0	-73.50	409.36	5.58	-67.92
CC(C)C[N@H+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029946426	1	55	0.0	-70.72	407.80	5.59	-65.13
CCC(C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[NH+](CC)CC	REAL300029946456	0	54	0.0	-61.07	387.91	4.89	-56.18
CC1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029946481	0	49	0.0	-65.20	365.11	4.11	-61.09
CC1CCC[N@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029946481	1	49	0.0	-66.83	371.69	4.53	-62.30
CC(C)C1=[NH+]C=CN1CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029946569	1	53	0.0	-68.98	411.74	5.90	-63.08
CC(C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[NH+]1CCCCCC1	REAL300029946573	0	55	0.0	-65.16	394.48	5.22	-59.94
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029946606	0	52	0.0	-72.41	377.53	5.14	-67.27
CC(C)[N@H+]1CCCC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029946606	1	52	0.0	-67.03	380.60	4.71	-62.32
CC(C)[N@@H+]1CCCC1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029946616	0	55	0.0	-62.51	395.07	5.21	-57.30
CC(C)[N@H+]1CCCC1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029946616	1	55	0.0	-69.71	405.60	5.28	-64.43
CC1CC[N@H+](CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029946670	0	49	0.0	-66.71	371.78	4.41	-62.30
CC1CC[N@@H+](CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029946670	1	49	0.0	-68.81	372.05	4.49	-64.32
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029946671	0	55	0.0	-65.23	406.62	4.99	-60.24
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029946671	1	55	0.0	-71.03	407.88	4.99	-66.04
CC1=[NH+]C=C2CC(C(=O)N3C[C@@H]4CCN(C(=O)C5=CC(=O)[N-]O5)C[C@@H]43)CCN21	REAL300029946672	1	51	0.0	-78.18	393.34	5.32	-72.86
C[NH+](C)CCC1=CC=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C=C1	REAL300029946674	0	55	0.0	-96.06	421.76	6.55	-89.51
CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029946676	0	52	0.0	-67.70	391.42	4.99	-62.71
CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029946676	1	52	0.0	-68.33	391.28	4.97	-63.36
C[N@H+](CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)CC(C)(C)C	REAL300029946677	0	54	0.0	-67.90	394.71	5.23	-62.67
C[N@@H+](CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)CC(C)(C)C	REAL300029946677	1	54	0.0	-68.49	395.96	5.24	-63.25
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029946678	0	55	0.0	-70.08	425.57	7.18	-62.90
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029946678	1	55	0.0	-68.07	424.61	7.17	-60.90
CC[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[NH+](C)C	REAL300029946687	0	48	0.0	-61.81	354.62	3.73	-58.08
CC(COCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[NH+]1CCCC1	REAL300029946694	0	56	0.0	-69.34	423.57	5.44	-63.90
CN(CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)C1=CC=[NH+]C=C1	REAL300029946850	0	51	0.0	-73.38	400.65	4.38	-69.00
CC1=[NH+]C=CN1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029946962	1	44	0.0	-66.10	354.72	4.31	-61.79
CC(C[NH+]1CCOCC1)C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029946964	0	53	0.0	-60.28	394.54	3.33	-56.95
O=C(CCC[NH+]1CCCCC1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029946982	0	55	0.0	-73.32	411.71	6.04	-67.28
C[NH+](C)CC1=CC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=NO1	REAL300029946999	1	48	0.0	-82.13	381.51	3.74	-78.39
CC1=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C=CC2=C[NH+]=CN21	REAL300029947001	0	47	0.0	-84.75	378.73	6.60	-78.15
CC(C)C1=[NH+]C=CN1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029947052	1	50	0.0	-64.41	391.98	5.47	-58.94
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CCCC4CCC[N@@H+]43)[C@H]2C1	REAL300029947099	0	53	0.0	-66.12	379.43	5.03	-61.09
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CCCC4CCC[N@H+]43)[C@H]2C1	REAL300029947099	1	53	0.0	-69.38	376.19	4.87	-64.51
CC[N@@H+]1CCOC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029947131	1	50	0.0	-90.57	378.34	3.67	-86.90
CC[N@H+]1CCOC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029947131	1	50	0.0	-87.76	376.07	3.63	-84.13
O=C(C1=CN2C=[NH+]C=C2C=C1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029947199	0	44	0.0	-76.97	351.52	5.72	-71.25
CC1=C[NH+]=CN1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029947204	1	44	0.0	-66.35	356.09	5.08	-61.27
C[NH+](C)CCN1C=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C=N1	REAL300029947210	0	52	0.0	-85.82	406.06	3.86	-81.96
C[NH+](C)CCN1C=CC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=N1	REAL300029947223	0	52	0.0	-99.37	408.03	4.28	-95.09
C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC[N@@H+]1C	REAL300029947230	0	49	0.0	-77.65	357.85	4.05	-73.60
C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC[N@H+]1C	REAL300029947230	1	49	0.0	-71.26	364.49	4.05	-67.21
CCC1=[NH+]C=CN1C(C)CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029947232	1	53	0.0	-69.11	412.37	5.97	-63.14
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC[N@@H+]1C	REAL300029947235	0	52	0.0	-73.32	377.79	4.28	-69.04
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC[N@H+]1C	REAL300029947235	1	52	0.0	-71.62	381.91	4.77	-66.85
CC1CCC(C)[NH+]1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029947254	0	52	0.0	-65.89	383.28	4.65	-61.24
O=C(CCC[NH+]1CCCC1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029947261	0	52	0.0	-72.73	395.54	5.22	-67.51
C[NH+](C)CC1=CC=CC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=C1	REAL300029947262	0	52	0.0	-78.44	399.36	5.72	-72.72
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300029947268	0	51	0.0	-80.98	391.25	5.34	-75.64
O=C(CC[NH+]1CCCCC1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029947269	0	52	0.0	-71.27	390.26	5.24	-66.03
O=C(CN1C=[NH+]C2=C1CCCC2)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029947288	1	51	0.0	-66.37	397.93	6.80	-59.57
C[NH+](C)CC1(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CCCCC1	REAL300029947323	0	58	0.0	-87.80	403.49	6.02	-81.78
C[N@H+](CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)C1CCCCC1	REAL300029947327	0	58	0.0	-74.68	424.58	6.31	-68.37
C[N@@H+](CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)C1CCCCC1	REAL300029947327	1	58	0.0	-75.29	424.57	6.31	-68.98
C[NH+](C)C1(CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CCCC1	REAL300029947330	0	55	0.0	-80.36	390.17	5.23	-75.13
C[N@H+](CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)C1CCC1	REAL300029947549	0	49	0.0	-66.68	372.61	4.72	-61.96
C[N@@H+](CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)C1CCC1	REAL300029947549	1	49	0.0	-66.04	372.57	4.74	-61.30
CC(C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[NH+]1C(C)CCC1C	REAL300029947578	0	55	0.0	-64.97	395.90	4.87	-60.10
O=C(CCCC[NH+]1CCCC1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029947598	0	55	0.0	-76.84	416.82	6.00	-70.84
C[N@H+](CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)CC1=CC=CC=C1	REAL300029947601	1	52	0.0	-71.72	402.13	6.32	-65.40
C[N@@H+](CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)CC1=CC=CC=C1	REAL300029947601	1	52	0.0	-71.50	402.18	6.32	-65.18
C[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300029947617	0	49	0.0	-81.47	366.56	4.19	-77.28
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029947672	0	46	0.0	-71.96	344.44	3.23	-68.73
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029947672	1	46	0.0	-67.81	346.20	3.59	-64.22
C[N@@H+]1CCCC1CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029947703	0	52	0.0	-71.44	394.47	5.10	-66.34
C[N@H+]1CCCC1CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029947703	1	52	0.0	-71.39	388.07	4.77	-66.62
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CCC4CCCC[N@@H+]43)[C@H]2C1	REAL300029947719	0	53	0.0	-67.32	390.69	5.56	-61.76
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CCC4CCCC[N@H+]43)[C@H]2C1	REAL300029947719	1	53	0.0	-70.91	386.98	5.11	-65.80
CCC[N@@H+]1CCCC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029947804	0	55	0.0	-72.75	405.67	5.56	-67.19
CCC[N@H+]1CCCC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029947804	1	55	0.0	-71.88	407.96	5.55	-66.33
CC(C)[N@@H+]1CCOC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029947821	1	53	0.0	-70.07	380.63	3.82	-66.25
CC(C)[N@H+]1CCOC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029947821	1	53	0.0	-85.44	392.86	4.14	-81.30
O=C(C[NH+]1CCC(CO)CC1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029947900	0	53	0.0	-73.79	399.14	1.85	-71.94
C[NH+]1C2CCC1CC(=CC(=O)N1C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]31)C2	REAL300029947941	0	54	0.0	-68.99	398.03	5.68	-63.31
CC1C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC[N@@H+]1C	REAL300029947960	0	49	0.0	-71.86	369.89	4.21	-67.65
CC1C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC[N@H+]1C	REAL300029947960	1	49	0.0	-70.37	366.85	4.15	-66.22
C[N@@H+]1CCCCC1CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029947964	0	55	0.0	-80.75	400.29	5.47	-75.28
C[N@H+]1CCCCC1CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029947964	1	55	0.0	-78.07	400.24	5.54	-72.53
NC1=[NH+]C2=C(C=C1C(=O)N1C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]31)CCC2	REAL300029948000	1	49	0.0	-62.42	378.88	3.58	-58.84
CC(C)(C)[N@@H+]1CCC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948073	0	52	0.0	-69.35	387.16	4.33	-65.02
CC(C)(C)[N@H+]1CCC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948073	1	52	0.0	-69.66	369.06	3.98	-65.68
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CCN(C4=CC=[NH+]C=C4)C3)[C@H]2C1	REAL300029948091	0	52	0.0	-68.17	398.03	3.18	-64.99
C[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[NH+](C)C	REAL300029948096	0	45	0.0	-66.67	343.53	3.18	-63.49
C[NH+](C)CC1=CC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=CC=N1	REAL300029948117	1	51	0.0	-74.23	395.34	3.92	-70.31
C=CCC(C)(C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[NH+](C)C	REAL300029948123	0	52	0.0	-58.81	371.46	4.28	-54.53
CC[NH+](CC)CCSCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948157	0	55	0.0	-80.52	427.42	5.96	-74.56
NC1=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C=[NH+]C2=CC=CC=C21	REAL300029948158	1	48	0.0	-70.83	376.44	2.90	-67.93
O=C(CC[NH+]1CCCC1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948163	0	49	0.0	-72.61	373.57	4.47	-68.14
C[N@H+](CCO)CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948172	1	46	0.0	-69.38	354.50	0.17	-69.21
C[N@@H+](CCO)CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948172	1	46	0.0	-70.71	354.55	0.15	-70.56
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3C[N@@H+]4CCN3CCC4)[C@H]2C1	REAL300029948210	0	52	0.0	-88.73	367.26	2.30	-86.43
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3C[N@H+]4CCN3CCC4)[C@H]2C1	REAL300029948210	1	52	0.0	-80.18	374.49	2.05	-78.13
CC(C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[NH+]1CCSCC1	REAL300029948240	1	50	0.0	-67.81	377.89	4.47	-63.34
C[N@H+]1CC=C(CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300029948286	0	50	0.0	-68.22	385.50	5.06	-63.16
C[N@@H+]1CC=C(CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300029948286	1	50	0.0	-61.91	384.77	4.99	-56.92
C[S+](C)CCC(O)C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948303	0	48	0.0	-84.38	387.12	2.18	-82.20
CN1CC[N@H+](C)CC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029948345	0	54	0.0	-69.48	396.59	2.76	-66.72
CN1CC[N@@H+](C)CC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029948345	1	54	0.0	-73.31	399.26	2.35	-70.96
CC(C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[N@@H+]1CCCC(O)C1	REAL300029948346	0	53	0.0	-72.32	393.25	2.09	-70.23
CC(C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[N@H+]1CCCC(O)C1	REAL300029948346	1	53	0.0	-67.27	397.15	1.70	-65.57
C[N@@H+]1CCCC(O)(CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029948387	0	53	0.0	-64.58	386.03	2.87	-61.71
C[N@H+]1CCCC(O)(CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029948387	1	53	0.0	-72.91	383.90	3.13	-69.78
CC1C[NH+](CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029948393	1	46	0.0	-69.65	357.76	3.85	-65.80
CC[N@@H+]1CCCC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029948399	0	52	0.0	-72.29	384.38	4.76	-67.53
CC[N@H+]1CCCC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029948399	1	52	0.0	-79.70	380.11	4.71	-74.99
NC1=[NH+]C=CC=C1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948412	0	45	0.0	-64.77	360.57	2.53	-62.24
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CCC[N@@H+]3C3CC3)[C@H]2C1	REAL300029948425	0	50	0.0	-66.51	380.52	5.17	-61.34
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CCC[N@H+]3C3CC3)[C@H]2C1	REAL300029948425	1	50	0.0	-65.43	377.30	5.05	-60.38
O=C(C=CC[NH+]1CCCC1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948479	0	50	0.0	-75.39	386.14	5.14	-70.25
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CC[NH+](C4CC4)CC3)[C@H]2C1	REAL300029948507	0	53	0.0	-79.92	398.20	5.62	-74.30
CC[N@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948553	0	45	0.0	-68.33	344.16	3.40	-64.93
O=C(CN1CC2C=CC1C2)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948622	0	48	0.0	-67.96	365.95	4.72	-63.24
O=C(C[N@@H+]1CC2C=CC1C2)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948622	1	48	0.0	-63.66	365.56	4.62	-59.04
O=C(C[N@H+]1CC2C=CC1C2)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948622	1	48	0.0	-63.66	365.56	4.62	-59.04
CC1=CC=C(NCCC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)N=C1	REAL300029948645	0	51	0.0	-71.26	405.20	4.14	-67.12
CC1=CC=C(NCCC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)[NH+]=C1	REAL300029948645	1	51	0.0	-71.26	405.20	4.14	-67.12
CC(OCC[NH+](C)C)C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948789	0	52	0.0	-73.09	398.58	4.28	-68.81
C[NH+](C)CCOCCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948802	0	52	0.0	-75.10	402.28	3.60	-71.50
COCCN(C)CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948804	0	49	0.0	-68.95	375.55	2.55	-66.40
COCC[N@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948804	1	49	0.0	-67.93	375.81	2.56	-65.37
COCC[N@@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948804	1	49	0.0	-67.93	375.81	2.56	-65.37
CC(CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[NH+](C)C	REAL300029948811	0	51	0.0	-71.19	383.46	4.55	-66.64
CC[N@H+](CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)C1CC1	REAL300029948850	0	49	0.0	-65.84	374.93	4.77	-61.07
CC[N@@H+](CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)C1CC1	REAL300029948850	1	49	0.0	-67.05	372.85	4.85	-62.20
CC1C[N@@H+]2CCN1C(C(=O)N1C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]31)C2	REAL300029948861	0	52	0.0	-82.31	370.84	1.88	-80.43
CC1C[N@H+]2CCN1C(C(=O)N1C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]31)C2	REAL300029948861	1	52	0.0	-70.36	369.06	2.53	-67.83
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948905	1	49	0.0	-77.87	391.04	3.38	-74.49
O=C(C[N@@H+]1CC2CCC1C2)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948913	0	50	0.0	-68.11	373.41	4.84	-63.27
O=C(C[N@H+]1CC2CCC1C2)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948913	1	50	0.0	-66.78	372.69	4.90	-61.88
CC(C)[NH+]1CCC(CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300029948929	0	58	0.0	-69.31	420.27	6.06	-63.25
CC(C[NH+](C)C)C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948943	0	48	0.0	-73.62	359.11	4.26	-69.36
C[C@H](C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[NH+](C)C	REAL300029948985	0	45	0.0	-69.02	343.98	3.16	-65.86
CC[N@@H+]1CCC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948998	1	46	0.0	-70.16	348.00	3.39	-66.77
CC[N@H+]1CCC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948998	1	46	0.0	-71.03	358.08	3.70	-67.33
CC(C)[N@@H+]1CCCC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029949013	0	55	0.0	-71.94	400.79	5.31	-66.63
CC(C)[N@H+]1CCCC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029949013	1	55	0.0	-70.73	402.72	5.38	-65.35
CCC(C)(C)[NH2+]C(C)C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029949034	0	54	0.0	-67.26	389.37	3.57	-63.69
C#CC[N@H+]1CCCCC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029949086	1	51	0.0	-68.15	392.80	5.59	-62.56
C#CC[N@@H+]1CCCCC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029949086	1	51	0.0	-67.96	378.69	5.01	-62.95
CNC1=[NH+]C(C)=CC=C1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029949089	1	48	0.0	-68.34	375.76	3.40	-64.94
NC1=CC=[NH+]C=C1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029949090	0	42	0.0	-78.82	333.25	0.70	-78.12
C[NH+](C)C(CC1=CC=CC=C1)C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029949096	0	55	0.0	-78.67	403.88	6.26	-72.41
CCCC(C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[NH+](C)C	REAL300029949103	0	51	0.0	-65.57	380.36	4.77	-60.80
CC(CC[NH+](C)C)C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029949132	0	51	0.0	-76.80	387.96	4.52	-72.28
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]4CCCC[C@H]34)[C@H]2C1	REAL300029949191	0	56	0.0	-75.22	394.21	5.34	-69.88
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]4CCCC[C@H]34)[C@H]2C1	REAL300029949191	1	56	0.0	-65.72	398.94	5.97	-59.75
COCCCC[N@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029949270	0	58	0.0	-77.82	442.93	4.53	-73.29
COCCCC[N@@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029949270	1	58	0.0	-77.77	443.04	4.55	-73.22
C[N@@H+]1CC(C)(C)CC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029949280	0	52	0.0	-64.18	391.72	4.88	-59.30
C[N@H+]1CC(C)(C)CC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029949280	1	52	0.0	-65.83	390.02	4.76	-61.07
C[NH+](C)CCCCCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029949286	0	54	0.0	-78.87	413.29	5.67	-73.20
O=C(CC[NH+]1CCC(O)CC1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029949292	0	53	0.0	-74.03	401.52	1.81	-72.22
CCC[N@@H+]1CCCCC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029949297	0	55	0.0	-67.78	393.11	5.26	-62.52
CCC[N@H+]1CCCCC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029949297	1	55	0.0	-68.81	407.67	5.73	-63.08
CC[NH+]1CCN(CCC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300029949307	0	57	0.0	-80.55	424.53	3.35	-77.20
CCN1CC[NH+](CCC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300029949307	1	57	0.0	-70.85	423.03	3.29	-67.56
C[NH+]1CCN(CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300029949311	1	51	0.0	-70.26	385.29	2.25	-68.01
CC(C)C[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300029949439	0	58	0.0	-80.19	424.52	6.20	-73.99
CC1C[N@H+](C)CC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)O1	REAL300029949442	1	50	0.0	-83.99	375.87	3.61	-80.38
CC1C[N@@H+](C)CC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)O1	REAL300029949442	1	50	0.0	-95.00	382.49	3.79	-91.21
CCC1CCC[N@H+](CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029949480	0	55	0.0	-69.49	407.33	5.88	-63.61
CCC1CCC[N@@H+](CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029949480	1	55	0.0	-70.88	400.60	5.79	-65.09
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)N1	REAL300029949490	0	50	0.0	-98.35	388.16	3.87	-94.48
O=C(C[NH+]1CC2CC2C1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029949512	0	47	0.0	-70.26	361.99	4.61	-65.65
O=C(CC1([NH+]2CCCC2)CC1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029949532	0	53	0.0	-69.50	391.52	5.50	-64.00
CC([NH2+]C1(CO)CCCC1)C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029949551	0	56	0.0	-65.26	404.27	1.12	-64.14
C[N@@H+]1CCCCC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029949582	0	49	0.0	-68.40	355.33	4.00	-64.40
C[N@H+]1CCCCC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029949582	1	49	0.0	-63.66	355.71	3.92	-59.74
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CC[N@@H+]3CC3=CC=CC=C3)[C@H]2C1	REAL300029949588	1	53	0.0	-68.00	410.09	6.35	-61.65
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CC[N@H+]3CC3=CC=CC=C3)[C@H]2C1	REAL300029949588	1	53	0.0	-76.83	417.20	6.70	-70.13
CC(C)C[N@@H+]1CCCC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029949595	0	58	0.0	-66.22	416.51	6.39	-59.83
CC(C)C[N@H+]1CCCC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029949595	1	58	0.0	-69.38	423.65	6.22	-63.16
C[NH+](C)C1CCN(CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300029949653	0	57	0.0	-73.28	418.83	3.32	-69.96
C[N@@H+]1CCC(=CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029949719	0	47	0.0	-77.13	363.95	4.28	-72.85
C[N@H+]1CCC(=CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029949719	1	47	0.0	-76.77	364.23	4.35	-72.42
O=C(CNC1=CC=[NH+]C=C1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029949727	0	45	0.0	-76.36	362.05	2.01	-74.35
CC[NH+]1CCN(CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300029949790	0	54	0.0	-68.14	402.27	2.89	-65.25
O=C(C=C1C[NH+]2CCC1CC2)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029949791	0	51	0.0	-61.32	382.18	5.16	-56.16
C[N@H+](CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[C@@H]1CCC[C@H]1O	REAL300029949852	0	53	0.0	-62.76	396.65	2.12	-60.64
C[N@@H+](CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[C@@H]1CCC[C@H]1O	REAL300029949852	1	53	0.0	-65.77	396.72	2.24	-63.53
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3C[NH+](C4CCOCC4)C3)[C@H]2C1	REAL300029949861	0	54	0.0	-77.87	409.26	3.76	-74.11
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029949877	0	46	0.0	-65.23	351.15	3.70	-61.53
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029949877	1	46	0.0	-67.08	344.51	3.14	-63.94
CCN1CCOCC1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029949915	0	53	0.0	-70.74	389.06	3.05	-67.69
CC[N@@H+]1CCOCC1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029949915	1	53	0.0	-78.60	394.33	3.22	-75.38
CC[N@H+]1CCOCC1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029949915	1	53	0.0	-78.60	394.33	3.22	-75.38
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC(=O)NC4=C3CCC[NH2+]4)[C@H]2C1	REAL300029949922	0	50	0.0	-97.31	393.61	2.08	-95.23
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3C[NH+](C4CCCCC4)C3)[C@H]2C1	REAL300029949942	0	56	0.0	-75.66	415.88	6.50	-69.16
NC1=NC2=CC(C(=O)N3C[C@@H]4CCN(C(=O)C5=CC(=O)[N-]O5)C[C@@H]43)=CC=C2N1	REAL300029950020	0	46	0.0	-86.72	365.32	3.52	-83.20
NC1=[NH+]C2=CC(C(=O)N3C[C@@H]4CCN(C(=O)C5=CC(=O)[N-]O5)C[C@@H]43)=CC=C2N1	REAL300029950020	1	46	0.0	-86.72	365.32	3.52	-83.20
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029950067	0	49	0.0	-76.67	375.99	4.47	-72.20
CC1CCCC(C)[NH+]1CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950079	0	58	0.0	-69.93	416.43	5.89	-64.04
C[NH+](C)C1CCC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300029950082	0	55	0.0	-85.50	400.85	5.36	-80.14
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300029950086	0	55	0.0	-72.71	396.01	5.24	-67.47
C[N@@H+]1CC=CCC1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950087	0	50	0.0	-79.22	376.42	4.71	-74.51
C[N@H+]1CC=CCC1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950087	1	50	0.0	-76.07	377.32	4.87	-71.20
CC1=CC(C=CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=C[NH+]=C1N	REAL300029950151	1	49	0.0	-83.27	391.23	3.68	-79.59
C[NH+](C)CCOCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950167	0	49	0.0	-71.74	381.36	3.77	-67.97
CCCCC[N@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950174	0	57	0.0	-74.64	430.76	6.24	-68.40
CCCCC[N@@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950174	1	57	0.0	-74.64	430.87	6.26	-68.38
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)O1	REAL300029950187	0	53	0.0	-76.08	402.39	4.54	-71.54
[NH2+]=C1SC=CN1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950213	0	42	0.0	-65.43	353.34	3.00	-62.43
C[C@@H](OCC[NH+](C)C)C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950296	0	52	0.0	-69.79	396.30	4.36	-65.43
O=C(CC[NH+]1CCCCCC1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950361	0	55	0.0	-74.09	400.29	5.41	-68.68
O=C(C[NH+]1CCCCC1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950366	0	49	0.0	-69.73	368.17	4.61	-65.12
C[N@@H+]1CCCC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029950368	0	49	0.0	-74.33	366.72	4.11	-70.22
C[N@H+]1CCCC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029950368	1	49	0.0	-71.38	367.65	4.13	-67.25
O=C(C[NH+]1CCC(CO)CC1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950370	0	53	0.0	-73.79	399.14	1.85	-71.94
O=C(C[NH+]1CCCCCC1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950376	0	52	0.0	-68.35	377.27	4.84	-63.51
CN1C=C[N+](CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=C1	REAL300029950383	0	44	0.0	-65.87	356.74	6.22	-59.65
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)O1	REAL300029950403	1	49	0.0	-92.80	387.88	4.38	-88.42
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C=N1	REAL300029950411	0	51	0.0	-92.06	395.43	4.23	-87.83
O=C(C[NH+]1CCC(O)CC1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950426	1	50	0.0	-76.40	379.64	1.26	-75.14
C[N@H+](CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)C1CC1	REAL300029950433	0	46	0.0	-65.50	355.60	4.14	-61.36
C[N@@H+](CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)C1CC1	REAL300029950433	1	46	0.0	-65.22	355.47	4.24	-60.98
CC(C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)N1CC[NH+](C)CC1	REAL300029950435	1	54	0.0	-70.57	398.64	2.47	-68.10
O=C(CC[N@H+]1CCC(F)C1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950441	0	49	0.0	-71.05	380.20	4.56	-66.49
O=C(CC[N@@H+]1CCC(F)C1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950441	1	49	0.0	-76.17	379.83	4.52	-71.65
C[NH+](C)CCC1=CC=CC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=C1	REAL300029950472	0	55	0.0	-79.77	421.85	6.55	-73.22
CC(CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)C[NH+](C)C	REAL300029950478	0	51	0.0	-77.93	382.00	4.72	-73.21
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CC[N@@H+]4CCOCC34)[C@H]2C1	REAL300029950499	0	51	0.0	-67.51	378.60	3.44	-64.07
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CC[N@H+]4CCOCC34)[C@H]2C1	REAL300029950499	1	51	0.0	-79.90	383.32	2.92	-76.98
CC1=[NH+]C=C2C=CC(C(=O)N3C[C@@H]4CCN(C(=O)C5=CC(=O)[N-]O5)C[C@@H]43)=CN21	REAL300029950507	0	47	0.0	-74.45	372.37	5.55	-68.90
C[N@@H+]1CCOCC1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950530	1	50	0.0	-59.13	369.49	2.40	-56.73
C[N@H+]1CCOCC1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950530	1	50	0.0	-65.66	369.48	2.42	-63.24
C[NH+](C)CC(C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)C1=CC=CC=C1	REAL300029950538	0	55	0.0	-85.49	409.58	6.51	-78.98
CC[NH+]1CCN(CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300029950543	0	54	0.0	-68.14	402.27	2.89	-65.25
CC1=CC(N)=[NH+]C=C1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950601	1	45	0.0	-81.74	354.73	1.91	-79.83
NC1=CC=C(CCC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C=[NH+]1	REAL300029950604	0	48	0.0	-74.38	385.27	3.31	-71.07
CC1(O)CC[N@H+](CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029950660	0	50	0.0	-66.08	382.48	1.16	-64.92
CC1(O)CC[N@@H+](CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029950660	1	50	0.0	-66.64	382.25	1.22	-65.42
C[NH+](C)CCN1N=CC=C1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950670	0	52	0.0	-55.32	400.97	3.99	-51.33
C[NH+]1CC(CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029950704	0	46	0.0	-71.22	357.59	3.53	-67.69
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CC[N@@H+]3C3CCCC3)[C@H]2C1	REAL300029950710	0	53	0.0	-71.08	388.85	5.15	-65.93
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CC[N@H+]3C3CCCC3)[C@H]2C1	REAL300029950710	1	53	0.0	-69.17	390.92	5.13	-64.04
C[NH+](C)CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950720	0	42	0.0	-68.84	326.34	2.73	-66.11
C[N@H+](CCO)CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950763	0	49	0.0	-73.51	376.72	0.74	-72.77
C[N@@H+](CCO)CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950763	1	49	0.0	-71.66	376.51	0.72	-70.94
C[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[NH+](C)C	REAL300029950764	0	45	0.0	-66.67	343.53	3.18	-63.49
C[N@@H+]1CCCCC1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950786	0	52	0.0	-78.27	384.54	4.83	-73.44
C[N@H+]1CCCCC1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950786	1	52	0.0	-76.39	385.57	5.01	-71.38
CC1=C2C=C(C(=O)N3C[C@@H]4CCN(C(=O)C5=CC(=O)[N-]O5)C[C@@H]43)C=CN2C=[NH+]1	REAL300029950813	1	47	0.0	-85.45	373.12	6.37	-79.08
CC(C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[NH+]1CC(C)C1	REAL300029950814	0	49	0.0	-67.42	373.30	4.20	-63.22
CC1CC[N@@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950819	1	46	0.0	-65.13	351.22	3.56	-61.57
CC1CC[N@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950819	1	46	0.0	-65.18	351.34	3.54	-61.64
C[NH+](C)CC=CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950835	0	46	0.0	-78.82	363.48	3.99	-74.83
CC1(C)C[NH+](CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300029950850	1	49	0.0	-70.01	377.15	4.41	-65.60
O=C(CCCC[NH+]1CCCCC1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950864	0	58	0.0	-75.76	433.25	6.81	-68.95
CC1=C(C)[NH+]=C(CCC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)N1	REAL300029950877	1	50	0.0	-67.58	396.03	4.13	-63.45
C[NH+]1CCC(C2(C(=O)N3C[C@@H]4CCN(C(=O)C5=CC(=O)[N-]O5)C[C@@H]43)CC2)CC1	REAL300029950888	0	56	0.0	-83.98	410.30	5.76	-78.22
CC1=C2C=C(C(=O)N3C[C@@H]4CCN(C(=O)C5=CC(=O)[N-]O5)C[C@@H]43)C=CN2C=[NH+]1	REAL300029950897	1	47	0.0	-85.45	373.12	6.37	-79.08
C[NH+](C)CCSCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950908	0	49	0.0	-82.76	392.38	4.66	-78.10
CC(C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[N@H+](C)CC1=CC=CC=C1	REAL300029950927	0	55	0.0	-73.62	419.50	6.64	-66.98
CC(C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[N@@H+](C)CC1=CC=CC=C1	REAL300029950927	1	55	0.0	-73.06	421.52	6.54	-66.52
NC1=[NH+]C2=C(C=C1C(=O)N1C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]31)CCCC2	REAL300029950931	1	52	0.0	-64.14	395.95	4.07	-60.07
O=C(C[N@H+]1CCCC1CO)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950939	0	50	0.0	-69.06	380.51	1.21	-67.85
O=C(C[N@@H+]1CCCC1CO)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950939	1	50	0.0	-68.97	378.61	1.32	-67.65
CC[NH+](CC)CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950942	0	48	0.0	-66.29	359.63	4.42	-61.87
C[N@H+](CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)C1CCSC1	REAL300029950955	0	50	0.0	-73.84	385.85	4.98	-68.86
C[N@@H+](CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)C1CCSC1	REAL300029950955	1	50	0.0	-73.56	385.65	4.99	-68.57
O=C(C[NH+]1CCC1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950957	1	43	0.0	-69.67	336.63	3.18	-66.49
CC[NH+](CC)CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029951005	0	51	0.0	-71.98	379.21	4.40	-67.58
NC(=O)C1CC[NH+](CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300029951027	0	53	0.0	-88.61	404.47	1.28	-87.33
C[NH+](C)CC1=CNC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=C1	REAL300029951074	0	50	0.0	-84.38	388.63	3.95	-80.43
CC(C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[NH+]1CCC(O)CC1	REAL300029951095	0	53	0.0	-69.59	387.56	1.35	-68.24
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CC4COCC[N@@H+]4C3)[C@H]2C1	REAL300029951101	0	51	0.0	-73.96	384.49	3.10	-70.86
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CC4COCC[N@H+]4C3)[C@H]2C1	REAL300029951101	1	51	0.0	-74.22	380.77	2.89	-71.33
CC(C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[NH+]1CCC1	REAL300029951119	1	46	0.0	-68.25	350.06	3.58	-64.67
CCC(CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)C[NH+](C)C	REAL300029951130	0	54	0.0	-64.66	402.32	5.35	-59.31
NC1=CC=C(C=CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C=[NH+]1	REAL300029951137	0	46	0.0	-78.51	372.82	2.93	-75.58
C[NH+](C)C(CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)C1=CC=CC=C1	REAL300029951174	0	55	0.0	-58.27	411.91	7.03	-51.24
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029951205	0	49	0.0	-67.14	353.57	3.83	-63.31
C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029951205	1	49	0.0	-68.51	368.22	4.32	-64.19
CC1CN2CC[N@@H+]1CC2C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029951219	0	52	0.0	-79.13	372.40	1.71	-77.42
CC1CN2CC[N@H+]1CC2C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029951219	1	52	0.0	-80.84	373.83	1.42	-79.42
C[NH+](C)CC(O)CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029951247	0	49	0.0	-79.10	378.98	1.79	-77.31
C[NH+]1C2CCC1CC(C(=O)N1C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]31)C2	REAL300029951250	0	53	0.0	-79.74	384.25	4.78	-74.96
C=CCC(C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[NH+](C)C	REAL300029951299	0	49	0.0	-64.50	367.30	4.56	-59.94
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CC4CCCC[N@@H+]4C3)[C@H]2C1	REAL300029951311	0	53	0.0	-70.14	392.97	5.36	-64.78
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CC4CCCC[N@H+]4C3)[C@H]2C1	REAL300029951311	1	53	0.0	-69.01	393.20	5.48	-63.53
C[NH+]1CCC(O)(CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300029951329	0	53	0.0	-76.48	396.98	3.16	-73.32
COCC[N@@H+]1CCCC1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029951344	0	56	0.0	-56.93	416.15	4.71	-52.22
COCC[N@H+]1CCCC1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029951344	1	56	0.0	-56.27	408.30	4.67	-51.60
C[NH+]1C2CCC1CC(CC(=O)N1C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]31)C2	REAL300029951353	0	56	0.0	-80.59	391.63	5.19	-75.40
C[NH+](C)CCN1N=CC=C1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029951395	0	52	0.0	-66.70	403.43	4.00	-62.70
C[NH+]1CCC(C2(C(=O)N3CC[C@H]4CN(C(=O)C5=CC(=O)[N-]O5)[C@H]4C3)CC2)CC1	REAL300029951444	0	56	0.0	-88.40	411.96	5.91	-82.49
CC1=C2C=C(C(=O)N3CC[C@H]4CN(C(=O)C5=CC(=O)[N-]O5)[C@H]4C3)C=CN2C=[NH+]1	REAL300029951456	1	47	0.0	-81.29	383.81	6.70	-74.59
C[NH+](C)CCSCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029951468	0	49	0.0	-83.14	393.51	4.75	-78.39
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CC4COCC[N@@H+]4C3)C[C@@H]21	REAL300029951480	0	51	0.0	-74.47	381.44	2.99	-71.48
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CC4COCC[N@H+]4C3)C[C@@H]21	REAL300029951480	1	51	0.0	-75.72	382.01	2.84	-72.88
C[N@@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCC2	REAL300029951645	0	52	0.0	-61.59	383.35	3.54	-58.05
C[N@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCC2	REAL300029951645	1	52	0.0	-57.63	389.57	3.99	-53.64
C[N@@H+]1CCOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC23CCC3)C1	REAL300029951669	1	53	0.0	-70.65	393.99	3.34	-67.31
C[N@H+]1CCOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC23CCC3)C1	REAL300029951669	1	53	0.0	-49.69	392.28	3.41	-46.28
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CC1=CC(N)=[NH+]C=C1C(=O)N1CCC2(CCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029956403	1	51	0.0	-77.43	399.52	2.53	-74.90
CC1(O)CC[N@H+](CC(=O)N2CCC3(CCC3)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029956433	0	56	0.0	-69.17	423.13	1.61	-67.56
C[NH+]1CC(CC(=O)N2CCC3(CCC3)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029956461	0	52	0.0	-69.71	397.85	4.08	-65.63
C[N@H+](CCO)CCC(=O)N1CCC2(CCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029956491	0	55	0.0	-70.83	416.97	1.25	-69.58
C[N@@H+](CCO)CCC(=O)N1CCC2(CCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029956491	1	55	0.0	-70.83	416.97	1.25	-69.58
C[N@@H+]1CCCCC1CC(=O)N1CCC2(CCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029956509	0	58	0.0	-74.30	425.79	5.44	-68.86
C[N@H+]1CCCCC1CC(=O)N1CCC2(CCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029956509	1	58	0.0	-74.30	425.79	5.44	-68.86
CC1CCN1CC(=O)N1CCC2(CCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029956524	0	52	0.0	-67.18	392.50	4.03	-63.15
CC1CC[N@@H+]1CC(=O)N1CCC2(CCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029956524	1	52	0.0	-67.11	392.31	3.99	-63.12
CC1CC[N@H+]1CC(=O)N1CCC2(CCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029956524	1	52	0.0	-67.11	392.31	3.99	-63.12
C[NH+](C)CC=CC(=O)N1CCC2(CCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029956532	0	52	0.0	-76.57	402.79	4.48	-72.09
CC1(C)CN(CC(=O)N2CCC3(CCC3)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029956538	0	55	0.0	-70.11	416.96	4.79	-65.32
CC1(C)C[NH+](CC(=O)N2CCC3(CCC3)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029956538	1	55	0.0	-70.11	416.96	4.79	-65.32
C[NH+](C)CCSCC(=O)N1CCC2(CCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029956560	0	55	0.0	-79.10	433.56	5.23	-73.87
O=C(C[N@H+]1CCCC1CO)N1CCC2(CCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029956579	0	56	0.0	-68.19	416.24	1.29	-66.90
CC[NH+](CC)CC(=O)N1CCC2(CCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029956583	0	54	0.0	-67.86	402.31	4.53	-63.33
O=C(CN1CCC1)N1CCC2(CCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029956592	0	49	0.0	-70.05	376.89	3.70	-66.35
O=C(C[NH+]1CCC1)N1CCC2(CCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029956592	1	49	0.0	-70.05	376.89	3.70	-66.35
CC[NH+](CC)CCC(=O)N1CCC2(CCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029956623	0	57	0.0	-71.81	420.28	4.91	-66.90
CC(C(=O)N1CCC2(CCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1)N1CCC1	REAL300029956682	0	52	0.0	-67.10	385.32	3.75	-63.35
CC(C(=O)N1CCC2(CCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029956682	1	52	0.0	-67.10	385.32	3.75	-63.35
CCC(CC(=O)N1CCC2(CCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029956687	0	60	0.0	-64.85	441.76	5.87	-58.98
C[NH+](C)CC(C)(C)C(=O)N1CCC2(CCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029956693	0	57	0.0	-66.88	405.26	4.45	-62.43
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029956730	0	55	0.0	-68.63	406.38	4.72	-63.91
C[NH+](C)CC(O)CC(=O)N1CCC2(CCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029956754	0	55	0.0	-77.11	419.28	2.27	-74.84
C=CCC(C(=O)N1CCC2(CCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029956776	0	55	0.0	-72.82	411.25	4.77	-68.05
C[NH+]1CCC(C)(C(=O)N2CCC3(CCC3)C(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029956789	0	58	0.0	-75.98	414.64	4.69	-71.29
C[NH+](C)CCSCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCC2	REAL300029956847	0	55	0.0	-68.34	430.71	5.00	-63.34
C[N@@H+]1CCCC1C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029957007	0	52	0.0	-62.50	391.94	4.30	-58.20
C[N@H+]1CCCC1C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029957007	1	52	0.0	-71.02	394.88	4.96	-66.06
C[N@@H+]1CCOC(C(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029957031	1	53	0.0	-75.83	398.28	3.64	-72.19
C[N@H+]1CCOC(C(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029957031	1	53	0.0	-48.69	404.73	4.60	-44.09
CC(C)[N@@H+]1CCCC1C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029957187	0	58	0.0	-45.84	420.61	6.42	-39.42
CC(C)[N@H+]1CCCC1C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029957187	1	58	0.0	-69.64	427.63	6.01	-63.63
CC1=[NH+]C=CN1CC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029957220	1	50	0.0	-70.30	398.02	5.50	-64.80
O=C(NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+]2CCC1CC2	REAL300029957248	0	56	0.0	-73.26	409.29	5.15	-68.11
C[C@@H]1[C@H](C(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029957282	0	55	0.0	-66.00	406.39	4.57	-61.43
C[C@@H]1[C@H](C(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029957282	1	55	0.0	-58.38	411.78	4.60	-53.78
CC[C@@H]1[C@@H](C(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029957284	0	58	0.0	-71.71	424.74	5.02	-66.69
CC[C@@H]1[C@@H](C(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029957284	1	58	0.0	-74.52	429.73	6.10	-68.42
CC[N@@H+]1CCOC(C(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029957291	1	56	0.0	-74.08	418.77	4.10	-69.98
CC[N@H+]1CCOC(C(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029957291	1	56	0.0	-52.89	415.51	5.08	-47.81
CC[NH+](CC)CC(F)C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029957319	0	57	0.0	-71.86	425.16	4.97	-66.89
CC1CCC(C)[NH+]1CC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029957355	0	58	0.0	-67.66	425.06	5.22	-62.44
O=C(CCC[NH+]1CCCC1)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029957358	0	58	0.0	-71.01	437.86	5.88	-65.13
O=C(CC[NH+]1CCCCC1)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029957361	0	58	0.0	-71.75	431.57	5.75	-66.00
CC[N@@H+]1CCCCC1C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029957364	0	58	0.0	-46.70	427.20	6.39	-40.31
CC[N@H+]1CCCCC1C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029957364	1	58	0.0	-55.15	419.16	5.41	-49.74
C[NH+](C)C1(C(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300029957375	0	55	0.0	-51.77	400.18	5.71	-46.06
CC(C)[C@@H](C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029957382	0	57	0.0	-69.98	415.03	5.48	-64.50
C[N@H+](CC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029957407	0	55	0.0	-64.66	414.94	5.31	-59.35
C[N@@H+](CC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029957407	1	55	0.0	-70.23	414.26	5.34	-64.89
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029957483	1	54	0.0	-69.68	414.61	5.10	-64.58
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029957483	1	54	0.0	-47.45	420.34	6.44	-41.01
C[N@@H+]1CCCC1CCC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029957488	0	58	0.0	-49.19	435.21	6.64	-42.55
C[N@H+]1CCCC1CCC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029957488	1	58	0.0	-66.33	430.82	5.38	-60.95
C[NH+]1CCC(C(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029957508	0	55	0.0	-68.83	413.42	5.01	-63.82
C[N@@H+]1CCCCC1C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029957547	0	55	0.0	-69.16	400.60	4.78	-64.38
C[N@H+]1CCCCC1C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029957547	1	55	0.0	-64.19	410.80	4.92	-59.27
O=C(NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN2C=[NH+]C=C2C=C1	REAL300029957617	0	50	0.0	-70.96	398.21	6.85	-64.11
O=C(CC[NH+]1CCOCC1)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029957624	1	56	0.0	-74.87	423.30	3.35	-71.52
CC1=C[NH+]=CN1CC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029957637	1	50	0.0	-74.08	398.35	6.23	-67.85
O=C(NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[NH+]1CCC2	REAL300029957658	0	56	0.0	-40.19	400.56	5.77	-34.42
C[N@@H+]1CCC(CC(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029957669	0	55	0.0	-62.41	416.03	4.94	-57.47
C[N@H+]1CCC(CC(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029957669	1	55	0.0	-62.49	415.49	4.95	-57.54
CN(C)C1=CC=[NH+]C=C1C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029957675	0	54	0.0	-74.15	418.75	4.14	-70.01
CCC(C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029957677	0	54	0.0	-69.02	398.43	4.34	-64.68
O=C(NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC2=C[NH+]=CN2C=C1	REAL300029957704	1	50	0.0	-73.21	398.49	6.85	-66.36
C[NH+](C)CCCCC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029957736	0	57	0.0	-72.24	433.40	5.49	-66.75
CC(C)C(C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029957750	0	57	0.0	-69.94	412.36	4.85	-65.09
CCC[N@H+](C)CCC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029957751	0	57	0.0	-72.79	429.62	5.29	-67.50
CCC[N@@H+](C)CCC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029957751	1	57	0.0	-72.74	429.63	5.30	-67.44
CCC[N@H+](C)CC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029957755	0	54	0.0	-72.01	407.26	4.75	-67.26
CCC[N@@H+](C)CC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029957755	1	54	0.0	-74.76	407.82	5.29	-69.47
O=C(NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@H+](C1)CCC2	REAL300029957770	0	56	0.0	-70.80	409.59	4.56	-66.24
O=C(NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@@H+](C1)CCC2	REAL300029957770	1	56	0.0	-71.26	409.67	4.55	-66.71
C[N@@H+]1CCC[C@@H]1C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029957796	0	52	0.0	-48.36	387.82	4.67	-43.69
C[N@H+]1CCC[C@@H]1C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029957796	1	52	0.0	-68.50	393.86	4.40	-64.10
CC[NH+](CC)CC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029957831	0	54	0.0	-70.26	399.62	4.43	-65.83
CC1CC[NH+](CC(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029957892	0	58	0.0	-72.13	430.99	5.84	-66.29
C[NH+](C)CC1(C(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029957914	0	55	0.0	-75.09	413.41	5.10	-69.99
C[NH+]1CCC(C(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029957967	0	55	0.0	-68.83	413.42	5.01	-63.82
CC(C)[C@H](C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029957983	0	57	0.0	-69.21	418.01	5.38	-63.83
CCC(C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029958011	0	60	0.0	-65.83	434.16	5.64	-60.19
CC[N@H+](C)CCC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958052	0	54	0.0	-72.08	408.13	4.57	-67.51
CC[N@@H+](C)CCC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958052	1	54	0.0	-72.06	408.13	4.55	-67.51
CC1CCC[N@@H+]1CC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958082	0	55	0.0	-55.43	407.69	4.74	-50.69
CC1CCC[N@H+]1CC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958082	1	55	0.0	-55.44	413.55	5.09	-50.35
CC1CC[N@H+](CC(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029958084	0	55	0.0	-71.03	413.43	5.03	-66.00
CC1CC[N@@H+](CC(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029958084	1	55	0.0	-70.53	415.07	5.02	-65.51
CC1(C)CC[N@H+](CC(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029958088	0	58	0.0	-65.40	433.87	5.59	-59.81
CC1(C)CC[N@@H+](CC(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029958088	1	58	0.0	-70.88	435.31	5.60	-65.28
C[N@H+](CC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029958089	0	60	0.0	-65.98	437.36	5.74	-60.24
C[N@@H+](CC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029958089	1	60	0.0	-74.85	439.08	6.54	-68.31
CC[C@@H](C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029958097	0	54	0.0	-69.47	398.27	4.37	-65.10
C[NH+](C)CC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958201	0	48	0.0	-72.38	368.03	3.35	-69.03
O=C(C[NH+]1CCCCCC1)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958205	0	58	0.0	-71.24	419.11	5.40	-65.84
CN1C=C[N+](CC(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029958208	0	50	0.0	-69.38	399.26	6.86	-62.52
C[N@@H+]1CCCC(C(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029958213	0	55	0.0	-64.88	407.78	5.91	-58.97
C[N@H+]1CCCC(C(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029958213	1	55	0.0	-63.04	406.89	5.15	-57.89
O=C(NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@@H+]1C1CC1	REAL300029958218	0	56	0.0	-66.33	425.52	5.85	-60.48
O=C(NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@H+]1C1CC1	REAL300029958218	1	56	0.0	-65.89	420.55	5.66	-60.23
CC(C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029958234	1	52	0.0	-69.08	396.22	4.40	-64.68
CCC(CC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029958238	0	60	0.0	-72.61	439.06	5.83	-66.78
C[NH+](C)CC(C)(C)C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958243	0	57	0.0	-70.67	415.23	5.02	-65.65
O=C(C[NH+]1CCC(O)CC1)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958258	1	56	0.0	-75.69	421.23	1.88	-73.81
C[N@H+](CC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029958259	0	52	0.0	-69.98	398.72	5.48	-64.50
C[N@@H+](CC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029958259	1	52	0.0	-69.74	397.44	4.75	-64.99
C[NH+]1CC(CC(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029958275	0	52	0.0	-72.09	399.48	4.17	-67.92
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958286	0	58	0.0	-69.40	412.00	4.88	-64.52
CC(C)(C)[N@H+]1CCC1C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958286	1	58	0.0	-68.43	414.62	4.21	-64.22
C[C@@H](C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029958297	0	51	0.0	-70.37	386.13	3.74	-66.63
[NH2+]=C1SC=CN1CC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958356	0	48	0.0	-69.83	395.66	4.06	-65.77
C[N@H+](CCO)CCC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958363	0	55	0.0	-71.93	418.48	1.35	-70.58
C[N@@H+](CCO)CCC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958363	1	55	0.0	-71.87	418.43	1.32	-70.55
C[C@@H](C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029958364	0	51	0.0	-70.37	386.13	3.74	-66.63
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958368	0	55	0.0	-57.95	401.67	4.77	-53.18
C[N@H+]1CCCC[C@@H]1C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958368	1	55	0.0	-68.03	409.97	4.94	-63.09
C[N@@H+]1CCC(=CC(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029958437	0	53	0.0	-76.88	406.58	5.46	-71.42
C[N@H+]1CCC(=CC(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029958437	1	53	0.0	-65.28	407.88	4.87	-60.41
C[NH+](C)CCOCC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958460	0	55	0.0	-70.80	423.91	4.40	-66.40
C=CCC(C)(C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029958474	0	58	0.0	-69.09	418.02	5.97	-63.12
C[S+](C)CCC(O)C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958478	0	54	0.0	-73.28	432.88	3.01	-70.27
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958497	0	56	0.0	-41.62	408.48	2.57	-39.05
CC1CN(CC(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029958516	0	52	0.0	-72.07	398.11	4.50	-67.57
CC1C[NH+](CC(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029958516	1	52	0.0	-72.07	398.11	4.50	-67.57
CN(CCO)CC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958534	0	52	0.0	-75.65	396.67	1.31	-74.34
C[N@H+](CCO)CC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958534	1	52	0.0	-71.69	395.89	0.78	-70.91
C[N@@H+](CCO)CC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958534	1	52	0.0	-71.69	395.89	0.78	-70.91
CC[N@@H+]1CCCC(C(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029958554	0	58	0.0	-68.93	430.14	6.21	-62.72
CC[N@H+]1CCCC(C(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029958554	1	58	0.0	-68.93	430.14	6.21	-62.72
CC(CC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029958556	0	57	0.0	-72.31	425.22	5.35	-66.96
CC[N@H+](C)CC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958561	0	51	0.0	-74.42	386.32	4.55	-69.87
CC[N@H+](CC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029958594	0	55	0.0	-69.03	414.39	5.33	-63.70
CC[NH+](CC)CCC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958604	0	57	0.0	-71.24	425.98	5.27	-65.97
CC1(O)CC[N@H+](CC(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029958640	0	56	0.0	-73.32	424.66	2.29	-71.03
C[NH+](C)CC=CC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958644	0	52	0.0	-74.18	403.99	4.55	-69.63
CC(OCC[NH+](C)C)C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958653	0	58	0.0	-69.07	443.69	5.09	-63.98
C[NH+](C)CCOCCC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958659	0	58	0.0	-70.28	444.85	4.14	-66.14
COCCN(C)CC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958660	0	55	0.0	-71.57	418.14	3.18	-68.39
COCC[N@H+](C)CC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958660	1	55	0.0	-75.94	418.92	3.72	-72.22
COCC[N@@H+](C)CC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958660	1	55	0.0	-75.94	418.92	3.72	-72.22
C[NH+](C)C1(C(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029958680	0	58	0.0	-72.72	419.42	5.64	-67.08
CC(CCC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029958682	0	57	0.0	-70.74	425.31	5.08	-65.66
CCN1CCC1C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958688	0	52	0.0	-48.82	392.22	4.86	-43.96
CC[N@@H+]1CCC1C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958688	1	52	0.0	-64.70	400.46	4.36	-60.34
CC[N@H+]1CCC1C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958688	1	52	0.0	-64.70	400.46	4.36	-60.34
O=C(C[N@H+]1CCCC1CO)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958701	0	56	0.0	-72.51	419.10	2.12	-70.39
C[NH+]1CCC(C)(C(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029958723	0	58	0.0	-70.93	425.29	5.42	-65.51
C=CCC(C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029958742	0	55	0.0	-69.80	411.74	4.86	-64.94
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958749	0	58	0.0	-56.11	428.96	5.04	-51.07
C[NH+](C)CCCCCC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958751	0	60	0.0	-71.76	454.89	6.27	-65.49
CCCC(C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029958772	0	57	0.0	-69.98	420.06	5.10	-64.88
C[NH+](C)C(C)(C)C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958775	0	54	0.0	-70.98	395.49	4.51	-66.47
C[N@@H+]1CCCCC1C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958801	0	55	0.0	-64.19	410.80	4.92	-59.27
C[N@H+]1CC=C(CC(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029958825	0	56	0.0	-66.35	424.57	5.65	-60.70
C[N@@H+]1CC=C(CC(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029958825	1	56	0.0	-66.35	424.57	5.65	-60.70
O=C(C=CC[NH+]1CCCC1)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958865	0	56	0.0	-72.98	430.34	5.76	-67.22
C[NH+](C)C1(C(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029958896	0	52	0.0	-47.01	388.23	5.28	-41.73
O=C(CC[NH+]1CCCC1)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958898	0	55	0.0	-71.61	416.36	5.08	-66.53
O=C(NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+]2CCN1CC2	REAL300029958922	0	55	0.0	-74.40	404.34	1.82	-72.58
C[N@@H+]1CC2CC1(C(=O)NCC1(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029958927	0	53	0.0	-71.41	400.68	4.82	-66.59
C[N@H+]1CC2CC1(C(=O)NCC1(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029958927	1	53	0.0	-39.75	394.59	5.41	-34.34
O=C(C[N@@H+]1CC2CCC1C2)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958934	0	56	0.0	-69.33	412.14	5.56	-63.77
O=C(C[N@H+]1CC2CCC1C2)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958934	1	56	0.0	-55.69	415.61	5.46	-50.23
O=C(C[N@@H+]1CC2C=CC1C2)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958974	1	54	0.0	-69.92	407.38	5.32	-64.60
O=C(C[N@H+]1CC2C=CC1C2)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958974	1	54	0.0	-68.20	407.33	5.53	-62.67
CC(C[NH+](C)C)C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029959006	0	54	0.0	-67.24	406.23	4.70	-62.54
C[N@@H+]1CCCCC1CC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029959056	0	58	0.0	-66.66	419.78	5.39	-61.27
C[N@H+]1CCCCC1CC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029959056	1	58	0.0	-72.45	427.27	5.53	-66.92
CC(C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300029959066	1	55	0.0	-68.91	416.78	5.02	-63.89
CC1CC[N@@H+]1CC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029959068	1	52	0.0	-72.81	395.32	4.12	-68.69
CC1CC[N@H+]1CC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029959068	1	52	0.0	-70.18	399.55	4.74	-65.44
C[NH+](C)CC(O)CC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029959071	0	55	0.0	-74.99	420.64	2.40	-72.59
CC1C[N@H+](C)CC(C(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029959091	1	56	0.0	-55.19	419.29	5.17	-50.02
CC1C[N@@H+](C)CC(C(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029959091	1	56	0.0	-78.02	426.56	4.53	-73.49
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029959138	0	55	0.0	-70.53	417.58	5.08	-65.45
CC(CC[NH+](C)C)C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029959144	0	57	0.0	-71.52	428.07	5.23	-66.29
C[NH+]1CCN(CC(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029959163	1	57	0.0	-71.78	427.43	2.86	-68.92
NC(=[NH2+])SCC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029959187	0	46	0.0	-71.91	376.56	0.22	-71.69
C[NH+](C)CCC1(C(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029959216	0	58	0.0	-46.60	440.40	6.96	-39.64
C[N@@H+]1CC=CCC1CC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029959217	0	56	0.0	-73.01	419.25	5.39	-67.62
C[N@H+]1CC=CCC1CC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029959217	1	56	0.0	-66.26	414.21	5.34	-60.92
C[C@@H](OCC[NH+](C)C)C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029959230	0	58	0.0	-69.12	443.70	5.08	-64.04
CCC1CN(CC(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029959316	0	55	0.0	-66.90	421.48	5.19	-61.71
CCC1C[NH+](CC(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029959316	1	55	0.0	-66.90	421.48	5.19	-61.71
C[N@@H+]1CCC[C@H]1C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029959321	0	52	0.0	-71.25	387.92	3.90	-67.35
O=C(CC[N@H+]1CCC(F)C1)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029959327	0	55	0.0	-54.81	421.85	5.88	-48.93
CC1C(C(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029959346	0	55	0.0	-72.49	411.08	4.62	-67.87
CC1C(C(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029959346	1	55	0.0	-72.49	411.08	4.62	-67.87
CN1CCOCC1CC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029959375	0	56	0.0	-69.81	411.16	3.02	-66.79
C[N@@H+]1CCOCC1CC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029959375	1	56	0.0	-70.21	411.92	3.04	-67.17
C[N@H+]1CCOCC1CC(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029959375	1	56	0.0	-70.21	411.92	3.04	-67.17
C[N@@H+]1CCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029959546	0	52	0.0	-61.05	396.20	4.36	-56.69
CN1CCOC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)C1	REAL300029959572	0	53	0.0	-81.82	404.96	4.35	-77.47
C[N@@H+]1CCOC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)C1	REAL300029959572	1	53	0.0	-83.56	405.67	3.77	-79.79
C[N@H+]1CCOC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)C1	REAL300029959572	1	53	0.0	-83.56	405.67	3.77	-79.79
O=C(CCN1CCOCC1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029959725	0	56	0.0	-70.14	427.46	3.47	-66.67
O=C(CC[NH+]1CCOCC1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029959725	1	56	0.0	-70.14	427.46	3.47	-66.67
O=C(NCC1(C2CC2)CCN(C(=O)C23CCC[NH+]2CCC3)C1)C1=CC(=O)[N-]O1	REAL300029959737	0	56	0.0	-64.47	409.29	4.86	-59.61
O=C(NCC1(C2CC2)CCN(C(=O)C2=CC3=CN=CN3C=C2)C1)C1=CC(=O)[N-]O1	REAL300029959743	0	50	0.0	-72.66	406.24	6.87	-65.79
O=C(NCC1(C2CC2)CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1)C1=CC(=O)[N-]O1	REAL300029959743	1	50	0.0	-72.66	406.24	6.87	-65.79
C[N@@H+]1CCC(CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)C1	REAL300029959774	0	55	0.0	-74.08	419.36	4.87	-69.21
C[N@H+]1CCC(CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)C1	REAL300029959774	1	55	0.0	-74.08	419.36	4.87	-69.21
CCC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1)[NH+](C)C	REAL300029959782	0	54	0.0	-66.33	403.62	4.53	-61.80
C[NH+](C)CCCCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029959820	0	57	0.0	-75.76	438.18	5.39	-70.37
CC(C)C(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1)[NH+](C)C	REAL300029959836	0	57	0.0	-68.57	413.89	5.24	-63.33
CCC[N@H+](C)CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029959837	0	57	0.0	-70.94	432.88	5.46	-65.48
CCC[N@@H+](C)CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029959837	1	57	0.0	-70.94	432.88	5.46	-65.48
CCC[N@H+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029959841	0	54	0.0	-68.00	410.51	4.87	-63.13
CCC[N@@H+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029959841	1	54	0.0	-68.00	410.51	4.87	-63.13
O=C(NCC1(C2CC2)CCN(C(=O)C23CC[N@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300029959856	0	56	0.0	-63.70	406.14	4.08	-59.62
O=C(NCC1(C2CC2)CCN(C(=O)C23CC[N@@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300029959856	1	56	0.0	-71.61	406.29	4.08	-67.53
CC1CC[NH+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)CC1	REAL300029959889	0	58	0.0	-69.28	435.37	5.95	-63.33
C[NH+](C)CC1(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)CC1	REAL300029959930	0	55	0.0	-57.07	414.79	5.11	-51.96
CC[N@H+](C)CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029959949	0	54	0.0	-70.03	411.36	4.70	-65.33
CC[N@@H+](C)CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029959949	1	54	0.0	-66.80	412.28	4.67	-62.13
O=C(NCC1(C2CC2)CCN(C(=O)C2C[NH+]3CCC2CC3)C1)C1=CC(=O)[N-]O1	REAL300029959967	0	56	0.0	-63.67	407.61	5.01	-58.66
C[NH+]1CCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)CC1	REAL300029960016	0	55	0.0	-72.82	416.06	5.02	-67.80
CC(C)[C@H](C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1)[NH+](C)C	REAL300029960032	0	57	0.0	-68.04	411.24	5.09	-62.95
CC[NH+](CC)CC(F)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029960092	0	57	0.0	-62.58	434.52	5.43	-57.15
C[NH+](C)C1(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)CCC1	REAL300029960113	0	55	0.0	-60.32	398.49	4.53	-55.79
CCC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1)[NH+](CC)CC	REAL300029960141	0	60	0.0	-58.47	433.15	5.35	-53.12
CC1CCC[N@@H+]1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029960152	0	55	0.0	-64.35	410.00	4.85	-59.50
CC1CCC[N@H+]1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029960152	1	55	0.0	-65.42	417.00	5.82	-59.60
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029960198	0	58	0.0	-58.39	428.71	6.21	-52.18
CC(C)[N@H+]1CCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029960198	1	58	0.0	-60.89	428.75	5.39	-55.50
CC(C)[C@@H](C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1)[NH+](C)C	REAL300029960207	0	57	0.0	-69.96	415.14	5.02	-64.94
CC1CC[N@H+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)C1	REAL300029960221	0	55	0.0	-68.04	418.12	5.13	-62.91
CC1CC[N@@H+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)C1	REAL300029960221	1	55	0.0	-67.21	417.31	5.20	-62.01
CC1(C)CC[N@H+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)C1	REAL300029960225	0	58	0.0	-63.78	437.18	5.69	-58.09
CC1(C)CC[N@@H+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)C1	REAL300029960225	1	58	0.0	-63.34	437.08	5.67	-57.67
C[N@H+](CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1)CC(C)(C)C	REAL300029960226	0	60	0.0	-68.60	439.61	6.42	-62.18
C[N@@H+](CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1)CC(C)(C)C	REAL300029960226	1	60	0.0	-67.11	441.27	6.01	-61.10
CC[C@@H](C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1)[NH+](C)C	REAL300029960234	0	54	0.0	-68.60	401.69	4.49	-64.11
CC1=[NH+]C=CN1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029960355	1	50	0.0	-66.02	400.02	5.59	-60.43
CC[N@@H+]1CCOC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)C1	REAL300029960419	1	56	0.0	-68.17	420.41	4.36	-63.81
CC[N@H+]1CCOC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)C1	REAL300029960419	1	56	0.0	-81.89	422.45	4.37	-77.52
O=C(NCC1(C2CC2)CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300029960449	0	50	0.0	-69.16	406.15	6.85	-62.31
CC1=C[NH+]=CN1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029960452	1	50	0.0	-68.01	401.80	5.82	-62.19
C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)CC[N@@H+]1C	REAL300029960459	0	55	0.0	-73.08	408.19	4.70	-68.38
C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)CC[N@H+]1C	REAL300029960459	1	55	0.0	-64.42	410.24	4.66	-59.76
CC[C@@H]1[C@@H](C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)CC[N@@H+]1C	REAL300029960461	0	58	0.0	-68.84	425.72	5.03	-63.81
CC[C@@H]1[C@@H](C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)CC[N@H+]1C	REAL300029960461	1	58	0.0	-70.55	431.69	5.34	-65.21
CC1CCC(C)[NH+]1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029960468	0	58	0.0	-65.07	430.42	5.52	-59.55
O=C(CCC[NH+]1CCCC1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029960471	0	58	0.0	-73.13	441.05	5.68	-67.45
O=C(CC[NH+]1CCCCC1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029960475	0	58	0.0	-66.34	436.19	5.89	-60.45
CC[N@@H+]1CCCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029960478	0	58	0.0	-63.28	431.19	5.34	-57.94
CC[N@H+]1CCCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029960478	1	58	0.0	-67.31	422.20	5.37	-61.94
C[N@H+](CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1)C1CCC1	REAL300029960576	0	55	0.0	-66.03	417.38	5.44	-60.59
C[N@@H+](CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1)C1CCC1	REAL300029960576	1	55	0.0	-65.83	418.28	5.47	-60.36
C[NH+]1CCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)CC1	REAL300029960607	0	55	0.0	-72.82	416.06	5.02	-67.80
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029960637	0	52	0.0	-64.53	390.27	3.96	-60.57
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029960637	1	52	0.0	-53.63	391.11	5.11	-48.52
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029960655	1	54	0.0	-65.48	418.04	5.19	-60.29
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029960655	1	54	0.0	-63.64	425.09	5.44	-58.20
C[N@@H+]1CCCC1CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029960660	0	58	0.0	-65.79	436.03	5.92	-59.87
C[N@H+]1CCCC1CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029960660	1	58	0.0	-68.11	433.05	5.50	-62.61
C[N@@H+]1CCCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029960734	0	55	0.0	-67.14	412.23	4.94	-62.20
C[N@H+]1CCCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029960734	1	55	0.0	-65.86	411.76	5.03	-60.83
CC1C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)CC[N@@H+]1C	REAL300029960792	0	55	0.0	-67.69	418.22	5.42	-62.27
CC1C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)CC[N@H+]1C	REAL300029960792	1	55	0.0	-66.09	414.16	4.84	-61.25
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029960848	0	58	0.0	-59.78	412.51	4.43	-55.35
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029960848	1	58	0.0	-68.46	433.71	4.90	-63.56
C[C@@H](C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1)[NH+](C)C	REAL300029960862	0	51	0.0	-64.83	387.62	3.78	-61.05
C=CCC(C)(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1)[NH+](C)C	REAL300029960876	0	58	0.0	-70.25	415.55	4.63	-65.62
O=C(CC[NH+]1CCCC1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029960893	0	55	0.0	-73.23	421.15	4.99	-68.24
C[N@H+](CCO)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029960902	1	52	0.0	-68.12	399.37	0.89	-67.23
C[N@@H+](CCO)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029960902	1	52	0.0	-69.08	399.73	1.45	-67.63
C[N@H+]1CC=C(CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)CC1	REAL300029960960	0	56	0.0	-69.04	432.64	5.61	-63.43
C[N@@H+]1CC=C(CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)CC1	REAL300029960960	1	56	0.0	-65.96	430.95	5.82	-60.14
C[S+](C)CCC(O)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029960970	0	54	0.0	-65.28	434.53	2.96	-62.32
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029960983	0	56	0.0	-79.70	410.01	1.16	-78.54
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029960983	1	56	0.0	-78.86	411.70	1.70	-77.16
CC1C[NH+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)C1	REAL300029961013	1	52	0.0	-68.03	402.58	4.55	-63.48
CC[N@@H+]1CCCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)C1	REAL300029961019	0	58	0.0	-60.94	424.25	5.66	-55.28
CC[N@H+]1CCCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)C1	REAL300029961019	1	58	0.0	-69.16	435.80	5.44	-63.72
NC1=[NH+]C=CC=C1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029961023	0	51	0.0	-63.59	406.28	3.31	-60.28
O=C(NCC1(C2CC2)CCN(C(=O)C2CCC[N@@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300029961031	0	56	0.0	-59.67	419.36	5.38	-54.29
O=C(NCC1(C2CC2)CCN(C(=O)C2CCC[N@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300029961031	1	56	0.0	-60.82	420.81	5.65	-55.17
O=C(C=CC[NH+]1CCCC1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029961061	0	56	0.0	-71.53	431.27	6.29	-65.24
CC[N@H+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029961106	0	51	0.0	-67.68	389.01	4.13	-63.55
O=C(CN1CC2C=CC1C2)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029961141	0	54	0.0	-64.82	410.38	5.34	-59.48
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CC[NH+](CC)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOC2	REAL300029962792	0	58	0.0	-66.32	419.03	2.51	-63.81
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CC[N@H+](C)CCC(=O)NCC1=CC=CC(CN(C)C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029964673	0	53	0.0	-75.85	423.49	5.23	-70.62
CC[N@@H+](C)CCC(=O)NCC1=CC=CC(CN(C)C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029964673	1	53	0.0	-75.96	423.55	5.23	-70.73
CC1CCC[N@@H+]1CC(=O)NCC1=CC=CC(CN(C)C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029964693	0	54	0.0	-71.50	429.49	5.68	-65.82
CC1CCC[N@H+]1CC(=O)NCC1=CC=CC(CN(C)C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029964693	1	54	0.0	-71.82	429.72	5.82	-66.00
CC1CC[N@H+](CC(=O)NCC2=CC=CC(CN(C)C(=O)C3=CC(=O)[N-]O3)=C2)C1	REAL300029964694	0	54	0.0	-74.07	428.97	5.77	-68.30
CC1CC[N@@H+](CC(=O)NCC2=CC=CC(CN(C)C(=O)C3=CC(=O)[N-]O3)=C2)C1	REAL300029964694	1	54	0.0	-73.97	428.97	5.76	-68.21
CC[C@@H](C(=O)NCC1=CC=CC(CN(C)C(=O)C2=CC(=O)[N-]O2)=C1)[NH+](C)C	REAL300029964699	0	53	0.0	-71.82	414.77	5.07	-66.75
CN(CC1=CC(CNC(=O)C[NH+](C)C)=CC=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029964759	0	47	0.0	-75.16	383.47	4.02	-71.14
CN(CC1=CC=CC(CNC(=O)C[N+]2=CN(C)C=C2)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029964762	0	49	0.0	-72.46	414.69	7.53	-64.93
CN(CC1=CC(CNC(=O)C2CCC[N@H+](C)C2)=CC=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029964765	0	54	0.0	-56.62	422.38	5.87	-50.75
CN(CC1=CC(CNC(=O)C2CCC[N@@H+](C)C2)=CC=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029964765	1	54	0.0	-68.73	422.39	5.87	-62.86
CN(CC1=CC=CC(CNC(=O)C2CCC[N@@H+]2C2CC2)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029964770	0	55	0.0	-69.42	442.05	6.56	-62.86
CN(CC1=CC=CC(CNC(=O)C2CCC[N@H+]2C2CC2)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029964770	1	55	0.0	-69.38	437.03	6.41	-62.97
CC(C(=O)NCC1=CC=CC(CN(C)C(=O)C2=CC(=O)[N-]O2)=C1)[NH+]1CCC1	REAL300029964780	1	51	0.0	-71.93	412.79	5.12	-66.81
CN(CC1=CC(CNC(=O)C(C)(C)C[NH+](C)C)=CC=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029964788	0	56	0.0	-70.54	431.01	5.78	-64.76
CN(CC1=CC=CC(CNC(=O)C[N@H+](C)C2CC2)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029964796	0	51	0.0	-72.34	412.87	5.43	-66.91
CN(CC1=CC=CC(CNC(=O)C[N@@H+](C)C2CC2)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029964796	1	51	0.0	-71.81	412.71	5.42	-66.39
CN(CC1=CC(CNC(=O)CC2C[NH+](C)C2)=CC=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029964809	0	51	0.0	-75.39	414.91	4.84	-70.55
C[C@@H](C(=O)NCC1=CC=CC(CN(C)C(=O)C2=CC(=O)[N-]O2)=C1)[NH+](C)C	REAL300029964826	0	50	0.0	-72.71	400.88	4.45	-68.26
CN(CC1=CC(CNC(=O)CC[N@H+](C)CCO)=CC=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029964873	0	54	0.0	-75.80	433.91	2.01	-73.79
CN(CC1=CC(CNC(=O)CC[N@@H+](C)CCO)=CC=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029964873	1	54	0.0	-75.48	433.85	1.98	-73.50
C[C@@H](C(=O)NCC1=CC=CC(CN(C)C(=O)C2=CC(=O)[N-]O2)=C1)[NH+](C)C	REAL300029964874	0	50	0.0	-72.71	400.88	4.45	-68.26
CN(CC1=CC=CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029964877	0	54	0.0	-65.32	426.18	5.68	-59.64
CN(CC1=CC=CC(CNC(=O)[C@H]2CCCC[N@H+]2C)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029964877	1	54	0.0	-67.34	416.24	5.48	-61.86
CN(CC1=CC=CC(CNC(=O)C[NH+]2CCC2)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029964915	1	48	0.0	-74.85	393.49	4.44	-70.41
CN(CC1=CC(CNC(=O)C=C2CC[N@H+](C)C2)=CC=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029964925	0	52	0.0	-72.81	422.27	5.55	-67.26
CN(CC1=CC(CNC(=O)C=C2CC[N@@H+](C)C2)=CC=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029964925	1	52	0.0	-77.83	422.24	5.56	-72.27
CN(CC1=CC(CNC(=O)COCC[NH+](C)C)=CC=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029964940	0	54	0.0	-74.67	439.34	5.08	-69.59
CC1CN(CC(=O)NCC2=CC=CC(CN(C)C(=O)C3=CC(=O)[N-]O3)=C2)C1	REAL300029964976	0	51	0.0	-74.55	415.84	5.14	-69.41
CC1C[NH+](CC(=O)NCC2=CC=CC(CN(C)C(=O)C3=CC(=O)[N-]O3)=C2)C1	REAL300029964976	1	51	0.0	-74.55	415.84	5.14	-69.41
CN(CCO)CC(=O)NCC1=CC=CC(CN(C)C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029964990	0	51	0.0	-75.14	411.48	1.45	-73.69
CN(CC1=CC(CNC(=O)C[N@H+](C)CCO)=CC=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029964990	1	51	0.0	-75.00	411.27	1.44	-73.56
CN(CC1=CC(CNC(=O)C[N@@H+](C)CCO)=CC=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029964990	1	51	0.0	-75.00	411.27	1.44	-73.56
CC(CC(=O)NCC1=CC=CC(CN(C)C(=O)C2=CC(=O)[N-]O2)=C1)C[NH+](C)C	REAL300029965005	0	56	0.0	-79.06	440.39	6.00	-73.06
CC[N@H+](C)CC(=O)NCC1=CC=CC(CN(C)C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029965008	0	50	0.0	-74.39	401.13	4.68	-69.71
CC[N@H+](CC(=O)NCC1=CC=CC(CN(C)C(=O)C2=CC(=O)[N-]O2)=C1)C1CC1	REAL300029965028	0	54	0.0	-73.02	424.80	5.91	-67.11
CC[NH+](CC)CCC(=O)NCC1=CC=CC(CN(C)C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029965035	0	56	0.0	-75.22	436.98	5.65	-69.57
CN(CC1=CC=CC(CNC(=O)CN2CC(C)(C)C2)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029965047	0	54	0.0	-74.69	434.01	5.64	-69.05
CN(CC1=CC=CC(CNC(=O)C[NH+]2CC(C)(C)C2)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029965047	1	54	0.0	-74.69	434.01	5.64	-69.05
CN(CC1=CC(CNC(=O)C=CC[NH+](C)C)=CC=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029965059	0	51	0.0	-78.49	420.70	5.26	-73.23
COCCN(C)CC(=O)NCC1=CC=CC(CN(C)C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029965072	0	54	0.0	-74.83	433.51	3.84	-70.99
COCC[N@H+](C)CC(=O)NCC1=CC=CC(CN(C)C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029965072	1	54	0.0	-75.34	433.73	3.85	-71.49
COCC[N@@H+](C)CC(=O)NCC1=CC=CC(CN(C)C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029965072	1	54	0.0	-75.34	433.73	3.85	-71.49
CC(CCC(=O)NCC1=CC=CC(CN(C)C(=O)C2=CC(=O)[N-]O2)=C1)[NH+](C)C	REAL300029965089	0	56	0.0	-77.74	436.87	5.76	-71.98
CCN1CCC1C(=O)NCC1=CC=CC(CN(C)C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029965095	0	51	0.0	-72.37	409.89	4.81	-67.56
CC[N@@H+]1CCC1C(=O)NCC1=CC=CC(CN(C)C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029965095	1	51	0.0	-73.45	415.07	5.03	-68.42
CC[N@H+]1CCC1C(=O)NCC1=CC=CC(CN(C)C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029965095	1	51	0.0	-73.45	415.07	5.03	-68.42
C=CCC(C(=O)NCC1=CC=CC(CN(C)C(=O)C2=CC(=O)[N-]O2)=C1)[NH+](C)C	REAL300029965128	0	54	0.0	-71.10	426.66	5.51	-65.59
CCCC(C(=O)NCC1=CC=CC(CN(C)C(=O)C2=CC(=O)[N-]O2)=C1)[NH+](C)C	REAL300029965149	0	56	0.0	-72.98	438.54	6.41	-66.57
CN(CC1=CC=CC(CNC(=O)C(C)(C)[NH+](C)C)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029965152	0	53	0.0	-76.87	410.92	5.17	-71.70
CN(CC1=CC=CC(CNC(=O)C2CCCC[N@@H+]2C)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029965168	0	54	0.0	-72.31	415.88	5.44	-66.87
CN(CC1=CC(CNC(=O)CC2=CC[N@H+](C)CC2)=CC=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029965185	0	55	0.0	-72.27	443.70	6.38	-65.89
CN(CC1=CC(CNC(=O)CC2=CC[N@@H+](C)CC2)=CC=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029965185	1	55	0.0	-72.27	443.70	6.38	-65.89
CN(CC1=CC=CC(CNC(=O)C=CC[NH+]2CCCC2)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029965212	0	55	0.0	-77.29	445.77	6.43	-70.86
CN(CC1=CC=CC(CNC(=O)CC[NH+]2CCCC2)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029965234	0	54	0.0	-75.38	431.72	5.75	-69.63
CN(CC1=CC=CC(CNC(=O)C2C[NH+]3CCN2CC3)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029965251	0	54	0.0	-80.17	420.91	2.52	-77.65
CN(CC1=CC=CC(CNC(=O)C23CC(C2)C[N@@H+]3C)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029965255	0	52	0.0	-69.96	413.58	5.40	-64.56
CN(CC1=CC=CC(CNC(=O)C[N@@H+]2CC3CCC2C3)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029965260	0	55	0.0	-72.52	430.97	6.14	-66.38
CN(CC1=CC=CC(CNC(=O)C[N@H+]2CC3CCC2C3)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029965260	1	55	0.0	-72.52	430.97	6.14	-66.38
CN(CC1=CC=CC(CNC(=O)CN2CC3C=CC2C3)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029965290	0	53	0.0	-71.08	423.38	5.91	-65.17
CN(CC1=CC=CC(CNC(=O)C[N@@H+]2CC3C=CC2C3)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029965290	1	53	0.0	-72.78	422.75	5.99	-66.79
CN(CC1=CC=CC(CNC(=O)C[N@H+]2CC3C=CC2C3)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029965290	1	53	0.0	-72.78	422.75	5.99	-66.79
CC(C[NH+](C)C)C(=O)NCC1=CC=CC(CN(C)C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029965312	0	53	0.0	-70.69	421.47	5.41	-65.28
CC1CCN1CC(=O)NCC1=CC=CC(CN(C)C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029965352	0	51	0.0	-68.28	409.15	4.84	-63.44
CC1CC[N@@H+]1CC(=O)NCC1=CC=CC(CN(C)C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029965352	1	51	0.0	-68.82	414.74	5.11	-63.71
CC1CC[N@H+]1CC(=O)NCC1=CC=CC(CN(C)C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029965352	1	51	0.0	-68.82	414.74	5.11	-63.71
CN(CC1=CC(CNC(=O)CC(O)C[NH+](C)C)=CC=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029965354	0	54	0.0	-79.35	436.08	3.06	-76.29
CN(CC1=CC=CC(CNC(=O)[C@H]2C[C@H]([NH+](C)C)C2)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029965404	0	54	0.0	-75.04	432.95	5.75	-69.29
CC(CC[NH+](C)C)C(=O)NCC1=CC=CC(CN(C)C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029965407	0	56	0.0	-75.75	443.50	5.91	-69.84
CN(CC1=CC=CC(CNC(=O)CSC(N)=[NH2+])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029965439	0	45	0.0	-76.20	391.99	0.89	-75.31
CN(CC1=CC=CC(CNC(=O)CC2CC=CC[N@@H+]2C)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029965457	0	55	0.0	-74.40	435.36	6.11	-68.29
CN(CC1=CC=CC(CNC(=O)CC2CC=CC[N@H+]2C)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029965457	1	55	0.0	-74.40	435.36	6.11	-68.29
CCC1C[NH+](CC(=O)NCC2=CC=CC(CN(C)C(=O)C3=CC(=O)[N-]O3)=C2)C1	REAL300029965524	1	54	0.0	-75.27	437.24	5.90	-69.37
CN(CC1=CC=CC(CNC(=O)[C@@H]2CCC[N@H+]2C)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029965529	1	51	0.0	-67.20	409.29	5.08	-62.12
CN(CC1=CC=CC(CNC(=O)C[NH+]2CCCCC2)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029965540	0	54	0.0	-74.15	426.77	5.95	-68.20
CC1C(C(=O)NCC2=CC=CC(CN(C)C(=O)C3=CC(=O)[N-]O3)=C2)CC[N@@H+]1C	REAL300029965544	0	54	0.0	-64.27	426.23	5.50	-58.77
CC1C(C(=O)NCC2=CC=CC(CN(C)C(=O)C3=CC(=O)[N-]O3)=C2)CC[N@H+]1C	REAL300029965544	1	54	0.0	-74.78	430.55	5.46	-69.32
CN(CC1=CC=CC(CNC(=O)C2=CC(=O)[N-]O2)=C1)C(=O)C1CCC[N@@H+]1C	REAL300029965734	0	51	0.0	-68.00	406.29	4.65	-63.35
CN(CC1=CC=CC(CNC(=O)C2=CC(=O)[N-]O2)=C1)C(=O)C1CCC[N@H+]1C	REAL300029965734	1	51	0.0	-68.21	406.21	4.66	-63.55
CN(CC1=CC=CC(CNC(=O)C2=CC(=O)[N-]O2)=C1)C(=O)C1CN(C)CCO1	REAL300029965760	0	52	0.0	-74.64	419.15	4.36	-70.28
CN(CC1=CC=CC(CNC(=O)C2=CC(=O)[N-]O2)=C1)C(=O)C1C[N@H+](C)CCO1	REAL300029965760	1	52	0.0	-69.44	413.81	4.26	-65.18
CN(CC1=CC=CC(CNC(=O)C2=CC(=O)[N-]O2)=C1)C(=O)C1C[N@@H+](C)CCO1	REAL300029965760	1	52	0.0	-74.64	419.15	4.36	-70.28
CN(CC1=CC=CC(CNC(=O)C2=CC(=O)[N-]O2)=C1)C(=O)C12CCC[NH+]1CCC2	REAL300029965912	0	55	0.0	-60.44	423.66	5.49	-54.95
CN(CC1=CC=CC(CNC(=O)C2=CC(=O)[N-]O2)=C1)C(=O)CC1CC[N@H+](C)C1	REAL300029965927	0	54	0.0	-73.25	432.82	5.74	-67.51
CN(CC1=CC=CC(CNC(=O)C2=CC(=O)[N-]O2)=C1)C(=O)CC1CC[N@@H+](C)C1	REAL300029965927	1	54	0.0	-73.05	433.20	5.75	-67.30
CCC(C(=O)N(C)CC1=CC=CC(CNC(=O)C2=CC(=O)[N-]O2)=C1)[NH+](C)C	REAL300029965932	0	53	0.0	-67.37	416.87	5.19	-62.18
CN(CC1=CC=CC(CNC(=O)C2=CC(=O)[N-]O2)=C1)C(=O)CCCC[NH+](C)C	REAL300029965960	0	56	0.0	-72.81	452.03	6.28	-66.53
CC(C)C(C(=O)N(C)CC1=CC=CC(CNC(=O)C2=CC(=O)[N-]O2)=C1)[NH+](C)C	REAL300029965969	0	56	0.0	-67.14	429.12	5.82	-61.32
CCC[N@H+](C)CCC(=O)N(C)CC1=CC=CC(CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029965970	0	56	0.0	-71.85	448.57	6.13	-65.72
CCC[N@@H+](C)CCC(=O)N(C)CC1=CC=CC(CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029965970	1	56	0.0	-72.89	448.52	6.12	-66.77
CCC[N@H+](C)CC(=O)N(C)CC1=CC=CC(CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029965971	0	53	0.0	-69.22	425.90	5.52	-63.70
CCC[N@@H+](C)CC(=O)N(C)CC1=CC=CC(CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029965971	1	53	0.0	-69.11	426.21	5.52	-63.59
CN(CC1=CC=CC(CNC(=O)C2=CC(=O)[N-]O2)=C1)C(=O)C12CC[N@H+](C1)CCC2	REAL300029965978	0	55	0.0	-71.81	418.26	4.95	-66.86
CN(CC1=CC=CC(CNC(=O)C2=CC(=O)[N-]O2)=C1)C(=O)C12CC[N@@H+](C1)CCC2	REAL300029965978	1	55	0.0	-73.63	420.17	4.99	-68.64
CN(CC1=CC=CC(CNC(=O)C2=CC(=O)[N-]O2)=C1)C(=O)C1(C[NH+](C)C)CC1	REAL300029966031	0	54	0.0	-68.12	433.12	5.64	-62.48
CC[N@H+](C)CCC(=O)N(C)CC1=CC=CC(CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029966047	0	53	0.0	-71.11	427.07	5.36	-65.75
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C[N@@H+]1CCC(=CC(=O)N2CCC3(C2)CCCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029975121	0	56	0.0	-78.53	418.84	5.46	-73.07
C[N@H+]1CCC(=CC(=O)N2CCC3(C2)CCCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029975121	1	56	0.0	-76.10	420.40	5.70	-70.40
O=C(CNC1=CC=[NH+]C=C1)N1CCC2(C1)CCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029975122	0	54	0.0	-74.58	418.31	3.49	-71.09
CCC1C[NH+](CC(=O)N2CCC3(C2)CCCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029975151	0	58	0.0	-71.79	434.80	5.72	-66.07
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029975156	0	55	0.0	-67.26	406.89	4.78	-62.48
C[N@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029975156	1	55	0.0	-74.90	400.26	4.56	-70.34
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3(C2)CCCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029975206	0	58	0.0	-78.39	430.94	5.77	-72.62
C[NH+](C)CCOCC(=O)N1CCC2(C1)CCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029975226	0	58	0.0	-73.82	438.47	5.33	-68.49
O=C(C[NH+]1CCCCC1)N1CCC2(C1)CCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029975270	0	58	0.0	-68.98	424.98	6.02	-62.96
C[N@@H+]1CCCC(C(=O)N2CCC3(C2)CCCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029975271	0	58	0.0	-77.13	427.73	5.42	-71.71
C[N@H+]1CCCC(C(=O)N2CCC3(C2)CCCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029975271	1	58	0.0	-65.69	416.55	5.43	-60.26
CN1C=C[N+](CC(=O)N2CCC3(C2)CCCCC3NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029975272	0	53	0.0	-66.67	413.82	7.74	-58.93
C[N@H+](CC(=O)N1CCC2(C1)CCCCC2NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029975283	0	55	0.0	-66.55	412.51	5.55	-61.00
C[N@@H+](CC(=O)N1CCC2(C1)CCCCC2NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300029975283	1	55	0.0	-66.56	412.64	5.56	-61.00
CC(CC(=O)N1CCC2(C1)CCCCC2NC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300029975294	0	60	0.0	-75.80	439.61	6.26	-69.54
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC2(C1)CCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029975327	1	54	0.0	-73.18	410.11	3.07	-70.11
C[NH+]1CC(CC(=O)N2CCC3(C2)CCCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029975354	0	55	0.0	-71.77	413.89	5.06	-66.71
C[NH+](C)CC(=O)N1CCC2(C1)CCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029975361	0	51	0.0	-66.08	383.24	4.14	-61.94
C[N@H+](CCO)CCC(=O)N1CCC2(C1)CCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029975371	0	58	0.0	-73.27	433.69	2.18	-71.09
C[N@@H+](CCO)CCC(=O)N1CCC2(C1)CCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029975371	1	58	0.0	-67.56	433.67	2.13	-65.43
C[C@@H](C(=O)N1CCC2(C1)CCCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029975372	0	54	0.0	-70.11	398.11	4.17	-65.94
CC(C(=O)N1CCC2(C1)CCCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300029975386	0	58	0.0	-70.07	429.39	5.33	-64.74
CC1CC[N@@H+]1CC(=O)N1CCC2(C1)CCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029975387	1	55	0.0	-71.50	412.65	5.21	-66.29
CC1CC[N@H+]1CC(=O)N1CCC2(C1)CCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029975387	1	55	0.0	-52.65	409.93	5.70	-46.95
C[NH+](C)CC=CC(=O)N1CCC2(C1)CCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029975390	0	55	0.0	-77.46	418.85	5.44	-72.02
CC1(C)C[NH+](CC(=O)N2CCC3(C2)CCCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029975394	1	58	0.0	-70.90	432.73	5.48	-65.42
CC[NH+](CC)CC(=O)N1CCC2(C1)CCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029975412	0	57	0.0	-68.03	414.18	5.29	-62.74
O=C(C[NH+]1CCC1)N1CCC2(C1)CCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029975418	1	52	0.0	-71.12	392.44	4.34	-66.78
CC[NH+](CC)CCC(=O)N1CCC2(C1)CCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029975439	0	60	0.0	-73.52	436.20	5.89	-67.63
CC(C(=O)N1CCC2(C1)CCCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300029975474	1	55	0.0	-66.00	402.72	4.88	-61.12
C[NH+](C)CC(C)(C)C(=O)N1CCC2(C1)CCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029975479	0	60	0.0	-74.16	423.08	5.33	-68.83
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(C1)CCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029975500	0	58	0.0	-71.98	411.30	5.02	-66.96
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(C1)CCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029975500	1	58	0.0	-66.61	422.57	5.56	-61.05
C[NH+](C)CC(O)CC(=O)N1CCC2(C1)CCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029975511	0	58	0.0	-78.27	435.21	3.29	-74.98
C=CCC(C(=O)N1CCC2(C1)CCCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300029975525	0	58	0.0	-64.34	424.33	5.60	-58.74
C[N@@H+]1CCCC1C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029975711	0	43	0.0	-66.12	342.48	-2.49	-68.61
C[N@H+]1CCCC1C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029975711	1	43	0.0	-62.27	348.79	-1.90	-64.17
CC(C)C1=[NH+]C=CN1CCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029975931	1	50	0.0	-60.85	407.64	0.15	-60.70
CC(C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300029975935	0	52	0.0	-62.25	390.91	-0.43	-62.68
CC(C)[N@@H+]1CCCC1C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029975969	0	49	0.0	-62.36	368.46	-0.44	-62.80
CC(C)[N@H+]1CCCC1C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029975969	1	49	0.0	-63.91	367.65	-0.79	-64.70
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@@H+]2C1	REAL300029975994	0	50	0.0	-62.94	389.49	-0.24	-63.18
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@H+]2C1	REAL300029975994	1	50	0.0	-66.80	389.58	-0.28	-67.08
CC(C)C1=[NH+]C=CN1CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029976024	1	47	0.0	-61.67	387.89	-0.26	-61.93
CC1=[NH+]C=CN1CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029976075	1	41	0.0	-61.64	351.88	-1.33	-62.97
CC(C[NH+]1CCOCC1)C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029976077	1	50	0.0	-65.68	393.09	-2.06	-67.74
O=C(CCC[NH+]1CCCCC1)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029976095	0	52	0.0	-67.57	408.00	0.27	-67.30
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+](C2CCCCC2)C1	REAL300029976134	0	56	0.0	-66.60	427.60	0.96	-65.64
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+](C2CCCCC2)C1	REAL300029976134	1	56	0.0	-66.22	427.71	0.90	-65.32
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+]2CCC1CC2	REAL300029976151	0	47	0.0	-71.31	363.48	-1.20	-72.51
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC2CCC[N@@H+]21	REAL300029976212	0	50	0.0	-59.77	387.06	-0.16	-59.93
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC2CCC[N@H+]21	REAL300029976212	1	50	0.0	-59.54	386.78	-0.14	-59.68
C[NH+](C)CCN1C=C(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300029976214	0	49	0.0	-76.70	406.79	-1.45	-78.15
C[NH+](C)CCN1C=CC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029976228	0	49	0.0	-77.68	406.84	-1.50	-79.18
C[C@@H]1[C@H](C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029976235	0	46	0.0	-64.13	359.69	-1.72	-65.85
C[C@@H]1[C@H](C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029976235	1	46	0.0	-63.81	364.17	-1.80	-65.61
CCC1=[NH+]C=CN1C(C)CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029976238	1	50	0.0	-62.36	408.11	0.20	-62.16
CC[C@@H]1[C@@H](C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029976241	0	49	0.0	-65.35	379.29	-1.34	-66.69
CC[C@@H]1[C@@H](C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029976241	1	49	0.0	-66.88	383.54	-0.74	-67.62
CC[N@@H+]1CCOC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029976267	1	47	0.0	-59.60	369.90	-2.13	-61.73
CC[N@H+]1CCOC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029976267	1	47	0.0	-69.03	369.75	-2.05	-71.08
CC[NH+](CC)CC(F)C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029976327	0	48	0.0	-68.37	381.89	-1.20	-69.57
CC1CCC(C)[NH+]1CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029976430	0	49	0.0	-61.26	379.61	-1.09	-62.35
O=C(CCC[NH+]1CCCC1)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029976440	0	49	0.0	-67.44	392.33	-0.43	-67.87
C[NH+](C)CC1=CC=CC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029976441	0	49	0.0	-71.93	400.31	0.50	-71.43
C#CC[NH+]1CCC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029976449	0	48	0.0	-70.02	391.52	-0.06	-70.08
O=C(CC[NH+]1CCCCC1)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029976450	0	49	0.0	-66.68	386.16	-0.57	-67.25
CC(C)C[N@@H+]1CCC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029976487	0	52	0.0	-63.91	407.34	0.01	-63.90
CC(C)C[N@H+]1CCC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029976487	1	52	0.0	-62.99	406.84	0.01	-62.98
CC(C)[N@@H+]1CCCC1CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029976499	0	52	0.0	-64.64	399.37	1.20	-63.44
CC(C)[N@H+]1CCCC1CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029976499	1	52	0.0	-65.79	397.13	1.22	-64.57
C[N@H+](CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029976586	0	46	0.0	-62.42	368.65	-0.99	-63.41
C[N@@H+](CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029976586	1	46	0.0	-63.38	368.68	-0.97	-64.35
CC(C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300029976671	0	52	0.0	-59.68	380.81	-1.33	-61.01
CN(CCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300029976744	0	48	0.0	-67.25	396.97	-1.31	-68.56
C[N@@H+]1CCCC1CCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029976765	0	49	0.0	-68.56	389.30	-0.36	-68.92
C[N@H+]1CCCC1CCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029976765	1	49	0.0	-67.91	383.55	-0.83	-68.74
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC2CCCC[N@@H+]21	REAL300029976782	0	50	0.0	-60.65	389.97	-0.05	-60.70
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC2CCCC[N@H+]21	REAL300029976782	1	50	0.0	-61.07	383.24	-0.52	-61.59
CC[NH+](CC)CC1=CC=C(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029976807	0	52	0.0	-69.80	422.20	0.18	-69.62
O=C(CCCC[NH+]1CCCC1)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029976812	0	52	0.0	-69.12	411.87	0.21	-68.91
C[N@H+](CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029976815	1	49	0.0	-68.95	398.81	0.61	-68.34
C[N@@H+](CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029976815	1	49	0.0	-66.73	399.26	0.62	-66.11
C[NH+]1CCC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029976831	0	46	0.0	-69.86	366.36	-1.24	-71.10
C[NH+](C)CC1=CC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300029976882	1	45	0.0	-77.34	380.56	-1.99	-79.33
CC1=C(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300029976884	0	44	0.0	-67.89	366.34	0.87	-67.02
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN2C=[NH+]C=C2C=C1	REAL300029977115	0	41	0.0	-69.12	352.33	0.51	-68.61
CC1=[NH+]C=CN1CCCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029977131	1	47	0.0	-64.60	393.44	-0.05	-64.65
O=C(CCCC[NH+]1CCOCC1)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029977135	1	53	0.0	-71.84	420.76	-1.37	-73.21
C[NH+](C)CC1=CC=C(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300029977139	0	49	0.0	-75.50	400.30	0.49	-75.01
O=C(CC[NH+]1CCOCC1)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029977140	1	47	0.0	-69.34	377.76	-2.96	-72.30
CCC[NH+](CCC)CCCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029977162	0	57	0.0	-67.80	444.82	1.28	-66.52
CC1=C[NH+]=CN1CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029977186	1	41	0.0	-66.21	352.21	-0.61	-66.82
O=C(CN1C=[NH+]C2=C1CCCC2)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029977199	1	48	0.0	-60.89	394.14	1.12	-59.77
C[NH+](C)CC1(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCCC1	REAL300029977233	0	55	0.0	-55.68	401.28	1.92	-53.76
C[N@H+](CCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300029977237	0	55	0.0	-67.54	420.90	0.62	-66.92
C[N@@H+](CCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300029977237	1	55	0.0	-68.01	420.56	0.61	-67.40
C[NH+](C)C1CCCC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029977283	0	52	0.0	-64.71	394.53	-0.24	-64.95
C[N@@H+]1CCC(CC(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029977290	0	46	0.0	-68.22	369.26	-1.40	-69.62
C[N@H+]1CCC(CC(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029977290	1	46	0.0	-68.49	369.52	-1.41	-69.90
CCC(C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029977307	0	45	0.0	-62.29	355.19	-1.77	-64.06
C[NH+](C)C1(CC(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029977328	0	52	0.0	-68.39	382.17	-0.72	-69.11
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC2=C[NH+]=CN2C=C1	REAL300029977394	1	41	0.0	-71.40	352.60	0.52	-70.88
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300029977436	1	44	0.0	-77.35	381.85	-1.55	-78.90
C[NH+](C)CCCCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029977464	0	48	0.0	-70.03	387.86	-0.83	-70.86
CCC[N@H+](C)CCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029977485	0	48	0.0	-67.91	383.74	-1.03	-68.94
CCC[N@@H+](C)CCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029977485	1	48	0.0	-67.41	384.08	-1.02	-68.43
CCC[N@H+](C)CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029977490	0	45	0.0	-64.73	361.67	-1.56	-66.29
CCC[N@@H+](C)CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029977490	1	45	0.0	-65.48	361.35	-1.57	-67.05
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@H+](C1)CCC2	REAL300029977515	0	47	0.0	-68.02	364.46	-1.75	-69.77
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@@H+](C1)CCC2	REAL300029977515	1	47	0.0	-69.99	364.37	-1.73	-71.72
C[N@@H+]1CCC[C@@H]1C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029977576	0	43	0.0	-61.92	341.98	-2.39	-64.31
C[N@H+]1CCC[C@@H]1C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029977576	1	43	0.0	-63.39	348.77	-1.92	-65.31
CC1CC2CCC(C(=O)NC3(CO)CN(C(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300029977603	0	53	0.0	-61.70	404.47	0.55	-61.15
CC1CC2CCC(C(=O)NC3(CO)CN(C(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300029977603	1	53	0.0	-63.97	411.09	0.36	-63.61
CCCCCC[N@H+](C)CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029977652	0	54	0.0	-65.79	426.17	0.78	-65.01
CCCCCC[N@@H+](C)CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029977652	1	54	0.0	-66.57	425.84	0.77	-65.80
CC[NH+](CC)CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029977673	0	45	0.0	-62.59	358.31	-1.62	-64.21
CCC[N@@H+]1CCCC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029977701	0	52	0.0	-63.40	399.89	0.21	-63.19
CCC[N@H+]1CCCC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029977701	1	52	0.0	-61.70	399.44	0.20	-61.50
CC(C)[N@@H+]1CCOC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029977718	1	50	0.0	-69.08	394.96	-1.44	-70.52
CC(C)[N@H+]1CCOC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029977718	1	50	0.0	-70.03	394.17	-1.32	-71.35
CC1CC[NH+](CC(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029977758	0	49	0.0	-65.33	384.72	-0.52	-65.85
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300029977786	1	44	0.0	-76.94	381.47	-1.55	-78.49
C[NH+]1CCC(OCC(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029977794	0	50	0.0	-72.96	402.42	-0.92	-73.88
C[NH+](C)CC1(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029977812	0	46	0.0	-54.52	369.36	0.44	-54.08
CC1=[NH+]C=C2CCC(C(=O)NC3(CO)CN(C(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300029977813	1	48	0.0	-61.08	390.43	-0.23	-61.31
CC(C)[NH+]1CCC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029977906	0	52	0.0	-67.14	397.03	-0.29	-67.43
C[NH+]1CCC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029977933	0	46	0.0	-69.86	366.36	-1.24	-71.10
CCC(C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029977971	0	51	0.0	-60.18	385.27	-0.93	-61.11
CC[N@H+](C)CCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029978067	0	45	0.0	-66.96	362.59	-1.77	-68.73
CC[N@@H+](C)CCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029978067	1	45	0.0	-67.43	362.25	-1.77	-69.20
CC1CCC[N@@H+]1CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029978138	0	46	0.0	-60.81	361.19	-1.58	-62.39
CC1CCC[N@H+]1CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029978138	1	46	0.0	-62.41	367.87	-1.20	-63.61
CC1CC[N@H+](CC(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029978141	0	46	0.0	-64.25	368.40	-1.35	-65.60
CC1CC[N@@H+](CC(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029978141	1	46	0.0	-62.81	367.87	-1.21	-64.02
CC(C)(C)[N@@H+]1CCC(F)(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029978142	0	52	0.0	-60.62	404.26	-0.67	-61.29
CC(C)(C)[N@H+]1CCC(F)(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029978142	1	52	0.0	-65.22	404.25	-0.73	-65.95
CC1=[NH+]C=C2CC(C(=O)NC3(CO)CN(C(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300029978143	1	48	0.0	-64.07	392.04	-0.21	-64.28
C[NH+](C)CCC1=CC=C(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300029978145	0	52	0.0	-76.98	422.81	1.32	-75.66
CC1(C)CC[N@H+](CC(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029978147	0	49	0.0	-63.58	387.24	-0.73	-64.31
CC1(C)CC[N@@H+](CC(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029978147	1	49	0.0	-64.35	387.98	-0.73	-65.08
C[N@H+](CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029978148	0	51	0.0	-65.52	389.53	-0.62	-66.14
C[N@@H+](CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029978148	1	51	0.0	-63.61	392.21	-0.52	-64.13
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029978149	0	52	0.0	-68.97	421.58	1.47	-67.50
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029978149	1	52	0.0	-69.84	421.29	1.45	-68.39
CC[C@@H](C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029978158	0	45	0.0	-61.78	352.36	-1.97	-63.75
CC(COCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300029978165	0	53	0.0	-64.60	421.07	-0.26	-64.86
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[NH+](CC2CC2)CC1	REAL300029978265	0	53	0.0	-69.02	416.08	0.90	-68.12
C[NH+]1CCC(O)(CC(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029978403	0	50	0.0	-69.76	392.60	-2.81	-72.57
COCC[N@@H+]1CCCC1CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029978411	0	53	0.0	-65.75	417.32	-1.30	-67.05
COCC[N@H+]1CCCC1CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029978411	1	53	0.0	-65.71	420.69	-1.49	-67.20
O=C(C[NH+]1CCC(CO)CC1)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029978422	1	50	0.0	-66.60	395.98	-3.81	-70.41
O=C(C[NH+]1CCCCCC1)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029978426	0	49	0.0	-64.30	375.10	-0.58	-64.88
CN1C=C[N+](CC(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029978431	0	41	0.0	-63.31	353.78	0.55	-62.76
C[N@@H+]1CCCC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029978443	0	46	0.0	-67.72	367.06	-1.37	-69.09
C[N@H+]1CCCC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029978443	1	46	0.0	-62.14	360.28	-1.18	-63.32
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@@H+]1C1CC1	REAL300029978447	0	47	0.0	-67.86	360.45	0.30	-67.56
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@H+]1C1CC1	REAL300029978447	1	47	0.0	-59.00	357.29	-0.44	-59.44
CC(C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029978480	1	43	0.0	-63.11	350.61	-1.91	-65.02
CCC(CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029978492	0	51	0.0	-67.87	397.36	-0.39	-68.26
O=C(C[NH+]1CCC(O)CC1)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029978543	1	47	0.0	-68.11	375.37	-4.46	-72.57
C[N@H+](CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029978545	0	43	0.0	-62.18	351.74	-1.56	-63.74
C[N@@H+](CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029978545	1	43	0.0	-62.95	351.89	-1.55	-64.50
CC(C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300029978546	1	51	0.0	-66.54	393.75	-3.16	-69.70
C[NH+]1CC(CC(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029978576	0	43	0.0	-68.92	353.94	-2.15	-71.07
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+]1C1CCCC1	REAL300029978580	0	50	0.0	-63.02	386.68	-0.23	-63.25
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+]1C1CCCC1	REAL300029978580	1	50	0.0	-63.66	387.10	-0.57	-64.23
CC(C)(C)[N@@H+]1CCC1C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029978588	0	49	0.0	-67.36	357.62	-0.61	-67.97
CC(C)(C)[N@H+]1CCC1C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029978588	1	49	0.0	-61.37	363.42	-2.12	-63.49
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300029978600	0	49	0.0	-69.95	397.25	-2.49	-72.44
C[C@@H](C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029978604	0	42	0.0	-63.17	340.22	-2.55	-65.72
CCC1CCC[N@H+](CC(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029978654	0	52	0.0	-65.11	396.10	0.08	-65.03
CCC1CCC[N@@H+](CC(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029978654	1	52	0.0	-65.06	403.14	0.12	-64.94
C[NH+](C)CC1=CC=C(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029978663	0	47	0.0	-71.34	389.03	-1.82	-73.16
C[NH+]1C2CCC1CC(CC(=O)NC1(CO)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029978677	0	53	0.0	-63.94	387.99	-0.46	-64.40
C[NH+](C)C(CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029978682	0	52	0.0	-68.27	412.81	1.12	-67.15
[NH2+]=C1SC=CN1CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029978723	0	39	0.0	-59.65	349.51	-2.77	-62.42
C[N@H+](CCO)CCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029978733	0	46	0.0	-66.47	372.93	-4.98	-71.45
C[N@@H+](CCO)CCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029978733	1	46	0.0	-66.77	372.53	-5.00	-71.77
C[C@@H](C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029978734	0	42	0.0	-63.17	340.22	-2.55	-65.72
C[N@@H+]1CCCC[C@@H]1C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029978739	0	46	0.0	-65.04	355.51	-1.55	-66.59
C[N@H+]1CCCC[C@@H]1C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029978739	1	46	0.0	-63.17	364.49	-1.37	-64.54
CC1CN2CC[N@@H+]1CC2C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029978747	0	49	0.0	-60.26	375.35	-3.98	-64.24
CC1CN2CC[N@H+]1CC2C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029978747	1	49	0.0	-68.66	374.88	-4.07	-72.73
O=C(CC1=CC2=C[NH+]=CN2C=C1)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029978808	0	44	0.0	-68.17	376.86	1.23	-66.94
C[N@H+](CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029978837	0	47	0.0	-71.80	381.61	-0.76	-72.56
C[N@@H+](CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029978837	1	47	0.0	-69.67	381.42	-0.74	-70.41
C[NH+](C)CC1=CC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC=N1	REAL300029978875	1	48	0.0	-68.67	396.68	-0.95	-69.62
C[N@@H+]1CCC(=CC(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029978876	0	44	0.0	-71.26	360.10	-1.43	-72.69
C[N@H+]1CCC(=CC(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029978876	1	44	0.0	-70.85	360.45	-1.38	-72.23
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+](C2CCCCC2)C1	REAL300029978903	0	53	0.0	-68.55	414.07	0.33	-68.22
C[NH+](C)CCOCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029978919	0	46	0.0	-66.54	378.47	-1.93	-68.47
CCCCC[N@H+](C)CCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029978927	0	54	0.0	-68.84	426.74	0.51	-68.33
CCCCC[N@@H+](C)CCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029978927	1	54	0.0	-68.34	427.08	0.55	-67.79
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029978937	0	50	0.0	-69.71	399.93	-0.81	-70.52
C=CCC(C)(C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029978949	0	49	0.0	-59.35	373.46	0.46	-58.89
C[S+](C)CCC(O)C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029978954	0	45	0.0	-70.89	387.33	-3.42	-74.31
CN1CC[N@H+](C)CC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029979004	0	51	0.0	-66.69	392.94	-3.22	-69.91
CN1CC[N@@H+](C)CC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029979004	1	51	0.0	-66.69	392.94	-3.22	-69.91
CC(C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)N1CCCC(O)C1	REAL300029979005	0	50	0.0	-63.01	391.18	-3.89	-66.90
CC(C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300029979005	1	50	0.0	-59.71	391.30	-3.84	-63.55
CC(C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300029979005	1	50	0.0	-59.71	391.30	-3.84	-63.55
O=C(CN1CCC(CO)CC1)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029979021	0	50	0.0	-66.60	395.98	-3.81	-70.41
O=C(C[NH+]1CCC(CO)CC1)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029979021	1	50	0.0	-66.60	395.98	-3.81	-70.41
C[N@@H+]1CCCC(O)(CC(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029979032	0	50	0.0	-66.84	380.20	-2.77	-69.61
C[N@H+]1CCCC(O)(CC(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029979032	1	50	0.0	-66.84	380.20	-2.77	-69.61
CC1CN(CC(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029979036	0	43	0.0	-65.30	352.23	-1.83	-67.13
CC1C[NH+](CC(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029979036	1	43	0.0	-65.30	352.23	-1.83	-67.13
NC(=O)C1CCN(CC(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029979041	0	50	0.0	-75.71	400.11	-4.45	-80.16
NC(=O)C1CC[NH+](CC(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029979041	1	50	0.0	-75.71	400.11	-4.45	-80.16
CN(CCO)CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029979065	0	43	0.0	-65.41	350.20	-5.57	-70.98
C[N@H+](CCO)CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029979065	1	43	0.0	-65.99	350.21	-5.57	-71.56
C[N@@H+](CCO)CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029979065	1	43	0.0	-65.99	350.21	-5.57	-71.56
C[NH+]1C2CCC1CC(=CC(=O)NC1(CO)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029979093	0	51	0.0	-69.12	395.16	-0.10	-69.22
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[N@@H+]2CCN1CCC2	REAL300029979097	0	49	0.0	-72.19	368.85	-3.25	-75.44
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[N@H+]2CCN1CCC2	REAL300029979097	1	49	0.0	-72.19	368.85	-3.25	-75.44
CC[N@@H+]1CCCC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029979106	0	49	0.0	-65.52	384.64	-0.72	-66.24
CC[N@H+]1CCCC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029979106	1	49	0.0	-65.52	384.64	-0.72	-66.24
CC(CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029979108	0	48	0.0	-69.79	379.34	-1.00	-70.79
CC[N@H+](C)CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029979123	0	42	0.0	-65.17	339.85	-2.33	-67.50
CC[N@H+](CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029979186	0	46	0.0	-64.37	364.81	0.48	-63.89
CC[NH+](CC)CCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029979205	0	48	0.0	-66.06	376.19	-1.27	-67.33
O=C(CCCC[NH+]1CCCCC1)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029979249	0	55	0.0	-68.94	428.70	0.99	-67.95
CC1(O)CC[N@H+](CC(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029979280	0	47	0.0	-64.04	378.42	-4.58	-68.62
C[NH+](C)CC=CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029979290	0	43	0.0	-71.82	359.69	-1.71	-73.53
CC(OCC[NH+](C)C)C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029979312	0	49	0.0	-68.59	397.25	-1.27	-69.86
C[NH+](C)CCOCCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029979324	0	49	0.0	-69.17	399.42	-2.13	-71.30
COCCN(C)CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029979325	0	46	0.0	-65.37	372.29	-3.17	-68.54
COCC[N@H+](C)CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029979325	1	46	0.0	-65.41	372.45	-3.15	-68.56
COCC[N@@H+](C)CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029979325	1	46	0.0	-65.41	372.45	-3.15	-68.56
COCCCC[N@H+](C)CCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029979357	0	55	0.0	-70.94	439.25	-1.16	-72.10
COCCCC[N@@H+](C)CCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029979357	1	55	0.0	-70.94	439.25	-1.16	-72.10
CC(CCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029979382	0	48	0.0	-66.02	376.03	-1.18	-67.20
CCN1CCC1C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029979393	0	43	0.0	-63.88	354.09	-1.99	-65.87
CC[N@@H+]1CCC1C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029979393	1	43	0.0	-64.11	345.36	-2.19	-66.30
CC[N@H+]1CCC1C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029979393	1	43	0.0	-64.11	345.36	-2.19	-66.30
CC(C)[N@@H+]1CCCC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029979408	0	52	0.0	-58.94	395.41	0.03	-58.91
CC(C)[N@H+]1CCCC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029979408	1	52	0.0	-58.94	395.41	0.03	-58.91
CN1C=CN=C1N1CCC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029979409	0	50	0.0	-63.30	403.65	-0.36	-63.66
CN1C=C[NH+]=C1N1CCC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029979409	1	50	0.0	-63.30	403.65	-0.36	-63.66
CC(C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300029979415	0	52	0.0	-66.86	416.70	0.98	-65.88
O=C(C[N@H+]1CCCC1CO)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029979424	0	47	0.0	-63.13	375.44	-4.40	-67.53
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@@H+]2C1	REAL300029979450	0	50	0.0	-66.80	389.58	-0.28	-67.08
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@H+]2C1	REAL300029979450	1	50	0.0	-66.80	389.58	-0.28	-67.08
CC(C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)N1CCC(O)CC1	REAL300029979479	0	50	0.0	-64.56	387.41	-4.22	-68.78
CC(C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300029979479	1	50	0.0	-64.56	387.41	-4.22	-68.78
C#CC1(O)CCN(C(C)C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029979488	0	52	0.0	-67.18	408.60	-3.21	-70.39
C#CC1(O)CC[NH+](C(C)C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029979488	1	52	0.0	-67.18	408.60	-3.21	-70.39
C=CCC(C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029979498	0	46	0.0	-69.44	370.89	-1.17	-70.61
C[NH+](C)C12CCC(C(=O)NC3(CO)CN(C(=O)C4=CC(=O)[N-]O4)C3)(CC1)CC2	REAL300029979507	0	56	0.0	-71.19	411.61	0.39	-70.80
C[N@@H+]1CC(C)(C)CC1C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029979513	0	49	0.0	-59.88	381.17	-1.45	-61.33
C[NH+](C)CCCCCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029979518	0	51	0.0	-70.44	409.01	-0.08	-70.52
CC1C[N@@H+](C2CCC2C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCO1	REAL300029979547	0	54	0.0	-63.75	402.00	-1.00	-64.75
CC1C[N@@H+]2CCN1C(C(=O)NC1(CO)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029979572	0	49	0.0	-62.61	375.55	-3.88	-66.49
CCCC(C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029979574	0	48	0.0	-67.14	376.92	-1.05	-68.19
CC[NH+](CC)CCSCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029979623	0	52	0.0	-70.74	420.71	0.10	-70.64
C[N@@H+]1CCCCC1C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029979632	0	46	0.0	-60.30	364.38	-1.37	-61.67
C[N@H+]1CC=C(CC(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029979686	0	47	0.0	-67.90	381.85	-0.64	-68.54
C[N@@H+]1CC=C(CC(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029979686	1	47	0.0	-67.90	381.85	-0.64	-68.54
O=C(CC1([NH+]2CCCC2)CC1)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029979697	0	50	0.0	-62.95	385.74	-0.36	-63.31
C[NH+](C)CC1=CC=C(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029979757	1	46	0.0	-73.04	386.71	-1.19	-74.23
C[NH+](C)CC1=CC=C(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300029979762	0	48	0.0	-71.90	396.45	-1.35	-73.25
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=C(C[NH+]2CCCC2)O1	REAL300029979774	0	50	0.0	-71.27	412.08	-0.06	-71.33
O=C(C=CC[NH+]1CCCC1)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029979778	0	47	0.0	-68.63	383.43	-0.65	-69.28
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[NH+](C2CC2)CC1	REAL300029979805	0	50	0.0	-64.99	391.67	-0.09	-65.08
C[N@@H+]1CC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(C(F)(F)F)C1	REAL300029979824	0	46	0.0	-70.02	367.09	-0.35	-70.37
C[N@H+]1CC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(C(F)(F)F)C1	REAL300029979824	1	46	0.0	-69.31	375.37	-1.11	-70.42
O=C(CC[NH+]1CCCC1)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029979829	0	46	0.0	-66.41	370.82	-1.23	-67.64
C[NH+]1CC(N2CC(C(=O)NC3(CO)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2=O)C1	REAL300029979839	1	51	0.0	-69.93	410.60	-2.19	-72.12
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+]2CCN1CC2	REAL300029979880	0	46	0.0	-63.03	358.92	-4.51	-67.54
CC1=C(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C=NN1CC[NH+](C)C	REAL300029979903	0	52	0.0	-79.34	422.29	-1.02	-80.36
O=C(C[N@@H+]1CC2CCC1C2)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029979906	0	47	0.0	-62.63	368.42	-0.76	-63.39
O=C(C[N@H+]1CC2CCC1C2)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029979906	1	47	0.0	-60.93	366.83	-1.05	-61.98
CC(C)[NH+]1CCC(CC(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029979922	0	55	0.0	-67.18	416.33	0.36	-66.82
O=C(C=C1C[NH+]2CCC1CC2)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029979971	0	48	0.0	-67.57	378.59	-0.61	-68.18
O=C(C[N@@H+]1CC2C=CC1C2)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029979982	1	45	0.0	-62.35	361.38	-1.10	-63.45
O=C(C[N@H+]1CC2C=CC1C2)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029979982	1	45	0.0	-61.66	361.83	-1.00	-62.66
C[NH+](C)CC(C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029980014	0	52	0.0	-68.74	418.82	1.18	-67.56
CC[NH+]1CCN(CC(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029980016	0	51	0.0	-66.86	398.40	-2.84	-69.70
CC(C[NH+](C)C)C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029980039	0	45	0.0	-68.32	360.35	-1.75	-70.07
C[N@@H+]1CCCCC1CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029980136	0	49	0.0	-62.72	374.19	-0.91	-63.63
C[N@H+]1CCCCC1CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029980136	1	49	0.0	-61.87	374.23	-0.92	-62.79
CC1=C2C=C(C(=O)NC3(CO)CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029980154	1	44	0.0	-69.16	374.51	1.07	-68.09
CC(C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300029980155	1	46	0.0	-61.65	370.14	-1.24	-62.89
CC1CC[N@@H+]1CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029980159	1	43	0.0	-62.31	348.28	-2.15	-64.46
CC1CC[N@H+]1CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029980159	1	43	0.0	-63.69	354.01	-1.89	-65.58
C[NH+](C)CC(O)CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029980163	0	46	0.0	-71.65	375.09	-3.96	-75.61
CC1C[N@H+](C)CC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029980197	1	47	0.0	-69.25	380.98	-1.86	-71.11
CC1C[N@@H+](C)CC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029980197	1	47	0.0	-71.13	373.76	-1.94	-73.07
O=C(CC[NH+]1CCC(O)CC1)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029980210	0	50	0.0	-70.06	397.10	-3.91	-73.97
CCC[N@@H+]1CCCCC1C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029980213	0	52	0.0	-63.37	394.63	-0.18	-63.55
CCC[N@H+]1CCCCC1C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029980213	1	52	0.0	-62.12	403.49	-0.02	-62.14
CC[NH+]1CCN(CCC(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029980217	0	54	0.0	-69.58	420.76	-2.33	-71.91
CCN1CC[NH+](CCC(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029980217	1	54	0.0	-67.57	421.10	-2.31	-69.88
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300029980220	0	53	0.0	-65.82	393.35	-0.21	-66.03
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300029980220	1	53	0.0	-63.61	397.10	0.47	-63.14
CC(C)C[NH+]1CCC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029980269	0	55	0.0	-68.53	422.82	0.84	-67.69
C[NH+](C)C1CCN(CC(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029980290	0	54	0.0	-69.44	415.48	-2.29	-71.73
C[NH+](C)[C@H]1C[C@H](C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029980313	0	46	0.0	-65.53	371.77	-1.28	-66.81
CC(CC[NH+](C)C)C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029980323	0	48	0.0	-69.75	381.98	-1.13	-70.88
C[N@H+](CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029980355	0	50	0.0	-62.46	393.49	-3.75	-66.21
C[N@@H+](CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029980355	1	50	0.0	-64.14	392.90	-3.64	-67.78
C[NH+](C)C(CC1=CC=CC=C1)C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029980368	0	52	0.0	-64.13	405.97	1.10	-63.03
C[NH+]1CCN(CC(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029980370	1	48	0.0	-67.20	381.47	-3.49	-70.69
CC[NH+]1CCN(CC(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029980381	0	51	0.0	-66.86	398.40	-2.84	-69.70
NC(=[NH2+])SCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029980407	0	37	0.0	-66.40	330.42	-6.02	-72.42
CCN1CCOCC1CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029980456	0	50	0.0	-65.48	386.21	-2.64	-68.12
CC[N@@H+]1CCOCC1CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029980456	1	50	0.0	-66.43	390.30	-2.51	-68.94
CC[N@H+]1CCOCC1CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029980456	1	50	0.0	-66.43	390.30	-2.51	-68.94
CC1CCCC(C)[NH+]1CCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029980474	0	55	0.0	-63.14	415.65	0.14	-63.00
C[NH+](C)C1CCC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029980477	0	52	0.0	-69.53	400.76	-0.18	-69.71
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029980481	0	52	0.0	-68.56	394.31	-0.31	-68.87
C[N@@H+]1CC=CCC1CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029980482	0	47	0.0	-62.19	368.70	-0.98	-63.17
C[N@H+]1CC=CCC1CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029980482	1	47	0.0	-62.19	368.70	-0.98	-63.17
C[C@@H](OCC[NH+](C)C)C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029980511	0	49	0.0	-68.11	398.07	-1.32	-69.43
C[NH+]1C2CCC1CC(C(=O)NC1(CO)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029980546	0	50	0.0	-60.37	357.33	-0.05	-60.42
C[NH+]1CCC(O)(C2(C(=O)NC3(CO)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029980654	0	54	0.0	-71.55	412.90	-2.04	-73.59
CC(C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300029980699	1	47	0.0	-64.71	381.55	-0.97	-65.68
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+](C2CCOCC2)C1	REAL300029980703	0	51	0.0	-68.32	405.76	-2.07	-70.39
C[N@H+]1CCC[C@H]1C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029980714	1	43	0.0	-65.80	342.24	-2.38	-68.18
O=C(CC[N@H+]1CCC(F)C1)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029980723	1	46	0.0	-70.61	376.22	-1.08	-71.69
O=C(CC[NH+]1CCCCCC1)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029980746	0	52	0.0	-67.75	396.17	-0.37	-68.12
O=C(C[NH+]1CCCCC1)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029980750	0	46	0.0	-63.84	364.21	-1.10	-64.94
CC1C(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029980758	0	46	0.0	-63.60	367.43	-1.32	-64.92
CC1C(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029980758	1	46	0.0	-66.83	368.33	-1.37	-68.20
C[N@@H+]1CCCCC1CCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029980761	0	52	0.0	-66.32	403.45	-0.05	-66.37
C[N@H+]1CCCCC1CCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029980761	1	52	0.0	-66.09	396.68	-0.24	-66.33
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+]2CCOCC12	REAL300029980797	0	48	0.0	-66.91	381.40	-2.69	-69.60
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+]2CCOCC12	REAL300029980797	1	48	0.0	-69.63	381.43	-2.66	-72.29
CC1=[NH+]C=C2C=CC(C(=O)NC3(CO)CN(C(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300029980805	0	44	0.0	-65.04	373.76	0.28	-64.76
CN1CCOCC1CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029980827	0	47	0.0	-60.75	365.57	-3.29	-64.04
C[N@@H+]1CCOCC1CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029980827	1	47	0.0	-70.09	373.26	-3.11	-73.20
C[N@H+]1CCOCC1CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029980827	1	47	0.0	-60.75	365.57	-3.29	-64.04
CC1=C(C)[NH+]=C(CCC(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029980839	1	47	0.0	-61.32	392.47	-1.71	-63.03
C[NH+](C)CCC1=CC=CC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029980849	0	52	0.0	-73.81	422.81	1.32	-72.49
CC(C)C[N@@H+]1CCCC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029980856	0	55	0.0	-63.81	415.26	0.91	-62.90
CC(C)C[N@H+]1CCCC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029980856	1	55	0.0	-66.47	423.78	0.75	-65.72
C[N@@H+]1CCCC1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029981014	0	43	0.0	-68.78	349.27	-1.95	-70.73
C[N@H+]1CCCC1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029981014	1	43	0.0	-73.27	343.32	-2.43	-75.70
C[N@@H+]1CCOC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029981039	1	44	0.0	-89.38	358.86	-2.41	-91.79
C[N@H+]1CCOC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029981039	1	44	0.0	-67.89	350.54	-2.73	-70.62
CC1=[NH+]C=CN1CCCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029981212	1	47	0.0	-71.21	395.43	0.04	-71.17
O=C(CCCC[NH+]1CCOCC1)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029981216	1	53	0.0	-78.42	422.51	-1.29	-79.71
C[NH+](C)CC1=CC=C(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300029981222	0	49	0.0	-85.92	398.43	0.19	-85.73
O=C(CC[NH+]1CCOCC1)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029981223	1	47	0.0	-78.10	379.60	-2.85	-80.95
C[NH+](C)C(C)(C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029981245	0	52	0.0	-66.33	398.69	1.10	-65.23
CCC[NH+](CCC)CCCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029981253	0	57	0.0	-74.76	442.35	1.01	-73.75
CC[N@H+](C)C(C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029981254	0	52	0.0	-64.09	417.68	1.19	-62.90
CC[N@@H+](C)C(C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029981254	1	52	0.0	-71.57	414.62	1.10	-70.47
O=C(NC1(CO)CN(C(=O)C23CCC[NH+]2CCC3)C1)C1=CC(=O)[N-]O1	REAL300029981275	0	47	0.0	-68.17	358.66	-1.26	-69.43
O=C(NC1(CO)CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1)C1=CC(=O)[N-]O1	REAL300029981295	1	41	0.0	-80.16	349.97	0.12	-80.04
C[NH+](C)C1CCCC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029981385	0	52	0.0	-72.43	400.95	-0.25	-72.68
C[N@@H+]1CCC(CC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029981392	0	46	0.0	-77.71	370.50	-1.25	-78.96
C[N@H+]1CCC(CC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029981392	1	46	0.0	-75.67	370.33	-1.18	-76.85
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029981406	0	45	0.0	-83.64	372.93	-2.71	-86.35
CCC(C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029981412	0	45	0.0	-67.65	354.52	-1.84	-69.49
O=C(NC1(CO)CN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)C1)C1=CC(=O)[N-]O1	REAL300029981422	1	44	0.0	-85.52	381.75	-1.41	-86.93
CC1CC2CCC(C(=O)N3CC(CO)(NC(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300029981477	0	53	0.0	-72.59	407.96	0.22	-72.37
CC1CC2CCC(C(=O)N3CC(CO)(NC(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300029981477	1	53	0.0	-66.53	404.30	0.44	-66.09
C[NH+](C)CCCCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029981517	0	48	0.0	-76.52	389.61	-0.74	-77.26
CC(C)C(C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029981544	0	48	0.0	-68.23	367.64	-1.06	-69.29
CCC[N@H+](C)CCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029981546	0	48	0.0	-75.49	386.04	-0.87	-76.36
CCC[N@@H+](C)CCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029981546	1	48	0.0	-75.34	386.07	-0.89	-76.23
CCC[N@H+](C)CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029981553	0	45	0.0	-71.63	363.69	-1.43	-73.06
CCC[N@@H+](C)CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029981553	1	45	0.0	-71.62	363.47	-1.48	-73.10
O=C(NC1(CO)CN(C(=O)C23CC[N@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300029981586	0	47	0.0	-73.86	361.31	-1.93	-75.79
O=C(NC1(CO)CN(C(=O)C23CC[N@@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300029981586	1	47	0.0	-77.03	361.23	-1.85	-78.88
CCCCCC[N@H+](C)CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029981642	0	54	0.0	-72.83	428.45	0.89	-71.94
CCCCCC[N@@H+](C)CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029981642	1	54	0.0	-72.74	427.96	0.86	-71.88
CC[NH+](CC)C(C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300029981654	0	54	0.0	-70.03	394.67	0.34	-69.69
CC1CC[NH+](CC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029981702	0	49	0.0	-72.09	387.06	-0.38	-72.47
O=C(NC1(CO)CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1)C1=CC(=O)[N-]O1	REAL300029981736	1	44	0.0	-81.02	378.63	-1.77	-82.79
C[NH+]1CCC(OCC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029981746	0	50	0.0	-80.53	404.16	-0.74	-81.27
O=C(NC1(CO)CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029981822	0	50	0.0	-72.30	389.63	-0.19	-72.49
O=C(NC1(CO)CN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029981822	1	50	0.0	-71.44	389.90	-0.20	-71.64
C[NH+](C)CC1(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029981843	0	46	0.0	-67.44	372.44	-1.39	-68.83
CC1=[NH+]C=C2CCC(C(=O)N3CC(CO)(NC(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300029981844	1	48	0.0	-61.53	393.22	-0.26	-61.79
CC(C)[NH+]1CCC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029981857	0	52	0.0	-73.02	400.70	-0.34	-73.36
CC[N@H+](C)CCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029981897	0	45	0.0	-74.81	364.57	-1.64	-76.45
CC[N@@H+](C)CCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029981897	1	45	0.0	-74.24	364.82	-1.64	-75.88
CC(C)(C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029981940	0	52	0.0	-74.72	389.24	0.10	-74.62
O=C(NC1(CO)CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1)C1=CC(=O)[N-]O1	REAL300029981943	0	56	0.0	-75.51	428.88	1.01	-74.50
O=C(NC1(CO)CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1)C1=CC(=O)[N-]O1	REAL300029981943	1	56	0.0	-74.34	427.34	0.91	-73.43
O=C(NC1(CO)CN(C(=O)C2C[NH+]3CCC2CC3)C1)C1=CC(=O)[N-]O1	REAL300029981961	0	47	0.0	-85.20	364.40	-1.13	-86.33
C[NH+]1CCC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029982066	0	46	0.0	-75.91	370.03	-1.28	-77.19
CC(C)[C@H](C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029982089	0	48	0.0	-67.27	368.44	-1.21	-68.48
O=C(NC1(CO)CN(C(=O)C2CC[NH+](CC3CC3)CC2)C1)C1=CC(=O)[N-]O1	REAL300029982197	0	53	0.0	-77.80	415.47	0.81	-76.99
CC[NH+](CC)CC(F)C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029982251	0	48	0.0	-78.18	387.17	-0.88	-79.06
C[NH+](C)CC1=C(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)SC=C1	REAL300029982252	0	46	0.0	-64.12	385.37	-0.53	-64.65
CC(C)C[N@@H+]1CCC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029982302	0	52	0.0	-75.00	409.87	0.11	-74.89
CC(C)C[N@H+]1CCC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029982302	1	52	0.0	-72.23	405.28	0.09	-72.14
C[NH+](C)C1(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300029982306	0	46	0.0	-76.85	354.14	-1.79	-78.64
CCC(C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300029982348	0	51	0.0	-73.68	385.65	-0.02	-73.70
CC1CCC[N@@H+]1CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029982381	0	46	0.0	-68.90	363.10	-1.48	-70.38
CC1CCC[N@H+]1CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029982381	1	46	0.0	-68.00	363.15	-1.49	-69.49
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029982494	1	50	0.0	-68.36	409.91	0.31	-68.05
CC(C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300029982502	0	52	0.0	-68.15	393.93	-0.47	-68.62
CC(C)[N@@H+]1CCCCC1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029982505	0	52	0.0	-67.79	387.49	-0.56	-68.35
CC(C)[N@H+]1CCCCC1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029982505	1	52	0.0	-68.22	396.95	-0.32	-68.54
CC(C)[N@@H+]1CCCC1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029982541	0	49	0.0	-68.33	373.62	-0.01	-68.34
CC(C)[N@H+]1CCCC1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029982541	1	49	0.0	-68.18	382.46	-0.80	-68.98
O=C(NC1(CO)CN(C(=O)C2CCC[N@@H+]2C2CCOCC2)C1)C1=CC(=O)[N-]O1	REAL300029982550	0	54	0.0	-75.33	401.36	-0.80	-76.13
O=C(NC1(CO)CN(C(=O)C2CCC[N@H+]2C2CCOCC2)C1)C1=CC(=O)[N-]O1	REAL300029982550	1	54	0.0	-72.07	413.83	-1.40	-73.47
C[NH+](C)C(CN1C=CC=N1)C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029982552	1	49	0.0	-65.24	396.81	-1.70	-66.94
CC(C)[N@@H+]1CCCC1CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029982559	0	52	0.0	-64.05	396.13	-0.66	-64.71
CC(C)[N@H+]1CCCC1CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029982559	1	52	0.0	-67.69	394.93	-0.72	-68.41
O=C(NC1(CO)CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300029982560	0	53	0.0	-69.53	406.83	0.58	-68.95
O=C(NC1(CO)CN(C(=O)C2CCC[N@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300029982560	1	53	0.0	-71.17	409.36	0.51	-70.66
CC(C)[C@@H](C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029982590	0	48	0.0	-72.49	364.32	-1.06	-73.55
CC1CC[N@H+](CC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029982628	0	46	0.0	-70.81	370.52	-1.21	-72.02
CC1CC[N@@H+](CC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029982628	1	46	0.0	-71.81	369.68	-1.11	-72.92
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029982629	0	52	0.0	-66.42	405.80	-0.56	-66.98
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029982629	1	52	0.0	-69.90	404.60	-0.66	-70.56
CC1=[NH+]C=C2CC(C(=O)N3CC(CO)(NC(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300029982631	1	48	0.0	-73.45	391.44	-0.31	-73.76
C[NH+](C)CCC1=CC=C(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300029982633	0	52	0.0	-83.96	420.44	0.94	-83.02
CC1(C)CC[N@H+](CC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029982635	0	49	0.0	-70.67	389.47	-0.66	-71.33
CC1(C)CC[N@@H+](CC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029982635	1	49	0.0	-71.53	389.41	-0.59	-72.12
C[N@H+](CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029982636	0	51	0.0	-71.59	392.33	-0.48	-72.07
C[N@@H+](CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300029982636	1	51	0.0	-72.64	394.21	-0.25	-72.89
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029982637	0	52	0.0	-74.99	423.38	1.54	-73.45
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029982637	1	52	0.0	-75.23	423.86	1.57	-73.66
CC[C@@H](C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029982649	0	45	0.0	-72.42	357.44	-1.74	-74.16
CC(COCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300029982657	0	53	0.0	-72.80	422.89	-0.08	-72.88
CN(CCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300029982843	0	48	0.0	-67.72	398.98	-1.23	-68.95
CC1=[NH+]C=CN1CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029982985	1	41	0.0	-67.92	354.12	-1.26	-69.18
CC(C[NH+]1CCOCC1)C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029982987	0	50	0.0	-75.24	397.68	-2.24	-77.48
O=C(CCC[NH+]1CCCCC1)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029983010	0	52	0.0	-74.75	409.96	0.38	-74.37
C[NH+](C)CC1=CC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300029983036	1	45	0.0	-79.21	380.20	-1.87	-81.08
CC1=C(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300029983038	0	44	0.0	-72.52	375.08	0.78	-71.74
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029983102	1	47	0.0	-67.26	390.48	-0.14	-67.40
O=C(NC1(CO)CN(C(=O)C2CCCC3CCC[N@@H+]32)C1)C1=CC(=O)[N-]O1	REAL300029983167	0	50	0.0	-67.23	389.90	-0.06	-67.29
O=C(NC1(CO)CN(C(=O)C2CCCC3CCC[N@H+]32)C1)C1=CC(=O)[N-]O1	REAL300029983167	1	50	0.0	-68.69	378.39	-0.62	-69.31
CC[N@@H+]1CCOC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029983216	1	47	0.0	-69.07	367.54	-1.98	-71.05
CC[N@H+]1CCOC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029983216	1	47	0.0	-67.98	368.27	-2.07	-70.05
O=C(NC1(CO)CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300029983310	0	41	0.0	-75.72	349.70	0.25	-75.47
CC1=C[NH+]=CN1CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029983315	1	41	0.0	-73.73	353.16	-0.55	-74.28
C[NH+](C)CCN1C=C(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300029983321	0	49	0.0	-81.86	404.06	-1.72	-83.58
C[NH+](C)CCN1C=CC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029983338	0	49	0.0	-85.90	406.75	-1.33	-87.23
C[C@@H]1[C@H](C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029983345	0	46	0.0	-78.87	361.12	-1.28	-80.15
C[C@@H]1[C@H](C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029983345	1	46	0.0	-72.33	363.27	-0.73	-73.06
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029983349	1	50	0.0	-68.16	410.39	0.37	-67.79
CC[C@@H]1[C@@H](C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029983352	0	49	0.0	-76.34	379.82	-1.29	-77.63
CC[C@@H]1[C@@H](C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029983352	1	49	0.0	-73.49	385.17	-0.93	-74.42
CC1CCC(C)[NH+]1CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029983384	0	49	0.0	-68.15	381.41	-0.87	-69.02
O=C(CCC[NH+]1CCCC1)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029983395	0	49	0.0	-74.75	392.68	-0.43	-75.18
C[NH+](C)CC1=CC=CC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029983396	0	49	0.0	-75.07	397.94	0.09	-74.98
C#CC[NH+]1CCC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029983407	0	48	0.0	-80.13	389.68	-0.21	-80.34
O=C(CC[NH+]1CCCCC1)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029983409	0	49	0.0	-73.90	388.48	-0.42	-74.32
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029983414	0	49	0.0	-54.87	395.68	0.29	-54.58
CC[N@@H+]1CCCCC1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029983426	0	49	0.0	-66.30	383.06	-0.53	-66.83
CC[N@H+]1CCCCC1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029983426	1	49	0.0	-66.98	372.00	-1.10	-68.08
CC(C)C(C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300029983427	0	55	0.0	-65.34	410.67	0.68	-64.66
C[NH+](C)C(C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029983431	1	49	0.0	-65.92	399.14	0.62	-65.30
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029983441	1	48	0.0	-73.60	396.05	1.22	-72.38
C[NH+](C)CC1(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)CCCCC1	REAL300029983490	0	55	0.0	-86.61	402.43	0.52	-86.09
C[NH+](C)CCC1=CC=CC=C1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029983491	0	52	0.0	-55.73	418.18	0.96	-54.77
C[N@H+](CCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300029983498	0	55	0.0	-75.99	422.86	0.75	-75.24
C[N@@H+](CCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300029983498	1	55	0.0	-75.19	422.89	0.76	-74.43
C[NH+](C)C1(CC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029983502	0	52	0.0	-76.43	388.05	-0.43	-76.86
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)=NN1	REAL300029983519	1	50	0.0	-77.51	403.70	-2.20	-79.71
C[N@H+]1CCCC1C1=CC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)=NN1	REAL300029983519	1	50	0.0	-76.63	400.93	-2.31	-78.94
C[N@H+](CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029983794	0	46	0.0	-69.02	370.83	-0.88	-69.90
C[N@@H+](CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300029983794	1	46	0.0	-70.08	370.96	-0.88	-70.96
CC(C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300029983836	0	52	0.0	-66.10	395.57	-0.48	-66.58
CC[NH+](CC)CC1=CC=C(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029983853	0	52	0.0	-81.52	422.43	0.24	-81.28
O=C(CCCC[NH+]1CCCC1)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029983858	0	52	0.0	-75.12	415.56	0.43	-74.69
C[N@H+](CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029983861	1	49	0.0	-75.71	401.10	0.74	-74.97
C[N@@H+](CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300029983861	1	49	0.0	-76.03	400.95	0.71	-75.32
C[NH+]1CCC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029983879	0	46	0.0	-75.91	370.03	-1.28	-77.19
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029983965	0	43	0.0	-74.86	343.61	-2.37	-77.23
C[N@H+]1CCC[C@@H]1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029983965	1	43	0.0	-68.54	347.16	-1.97	-70.51
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029983990	1	45	0.0	-67.91	370.35	-1.11	-69.02
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029983990	1	45	0.0	-71.24	373.63	-0.68	-71.92
C[N@@H+]1CCCC1CCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029984001	0	49	0.0	-78.42	391.56	-0.38	-78.80
C[N@H+]1CCCC1CCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029984001	1	49	0.0	-74.03	385.69	-0.76	-74.79
O=C(NC1(CO)CN(C(=O)C23CCC[NH+](CCC2)C3)C1)C1=CC(=O)[N-]O1	REAL300029984018	0	50	0.0	-90.15	373.83	-1.05	-91.20
O=C(NC1(CO)CN(C(=O)C2CCC3CCCC[N@@H+]32)C1)C1=CC(=O)[N-]O1	REAL300029984026	0	50	0.0	-71.19	385.73	-0.44	-71.63
O=C(NC1(CO)CN(C(=O)C2CCC3CCCC[N@H+]32)C1)C1=CC(=O)[N-]O1	REAL300029984026	1	50	0.0	-71.12	384.83	-0.37	-71.49
CCC[N@@H+]1CCCC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029984144	0	52	0.0	-67.83	399.55	0.14	-67.69
CCC[N@H+]1CCCC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029984144	1	52	0.0	-74.34	408.71	0.04	-74.30
O=C(NC1(CO)CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300029984157	0	56	0.0	-67.19	413.02	0.81	-66.38
O=C(NC1(CO)CN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300029984157	1	56	0.0	-68.35	414.77	0.84	-67.51
CC(C)[N@@H+]1CCOC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029984170	0	50	0.0	-84.84	394.13	-1.33	-86.17
CC(C)[N@H+]1CCOC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029984170	1	50	0.0	-79.22	387.13	-1.52	-80.74
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029984194	0	53	0.0	-73.61	400.24	-2.02	-75.63
C[N@@H+]1CCCCC1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029984217	0	46	0.0	-72.31	353.47	-1.62	-73.93
C[N@H+]1CCCCC1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029984217	1	46	0.0	-71.25	352.98	-1.71	-72.96
CC(C)C[N@@H+]1CCCC1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029984255	0	52	0.0	-69.70	408.22	0.32	-69.38
CC(C)C[N@H+]1CCCC1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029984255	1	52	0.0	-68.99	406.25	0.18	-68.81
O=C(C[NH+]1CCC(CO)CC1)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029984278	0	50	0.0	-72.86	397.89	-3.70	-76.56
C[NH+]1C2CCC1CC(=CC(=O)N1CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029984327	0	51	0.0	-75.34	397.57	0.12	-75.22
CC1C(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300029984349	0	46	0.0	-70.77	362.82	-1.76	-72.53
CC1C(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300029984349	1	46	0.0	-76.26	370.76	-1.48	-77.74
C[N@@H+]1CCCCC1CCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029984353	0	52	0.0	-72.26	405.67	0.08	-72.18
C[N@H+]1CCCCC1CCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029984353	1	52	0.0	-72.19	405.42	0.07	-72.12
NC1=[NH+]C2=C(C=C1C(=O)N1CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C1)CCC2	REAL300029984400	1	46	0.0	-65.36	378.52	-2.02	-67.38
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029984498	0	49	0.0	-69.65	385.74	-1.24	-70.89
CC(C)(C)[N@H+]1CCC1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029984498	1	49	0.0	-72.59	363.49	-1.73	-74.32
O=C(NC1(CO)CN(C(=O)C2CCN(C3=CC=[NH+]C=C3)C2)C1)C1=CC(=O)[N-]O1	REAL300029984520	0	49	0.0	-74.00	399.76	-2.38	-76.38
C[C@@H](C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029984526	0	42	0.0	-71.19	342.11	-2.53	-73.72
C[NH+](C)CC1=CC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)=CC=N1	REAL300029984549	1	48	0.0	-72.85	393.90	-1.58	-74.43
C=CCC(C)(C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029984555	0	49	0.0	-75.91	371.75	-1.01	-76.92
CC[NH+](CC)CCSCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029984594	0	52	0.0	-79.13	422.45	0.20	-78.93
NC1=C(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]C2=CC=CC=C21	REAL300029984595	1	45	0.0	-69.18	374.79	-2.73	-71.91
O=C(CC[NH+]1CCCC1)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029984600	0	46	0.0	-74.33	372.81	-1.13	-75.46
C[N@H+](CCO)CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029984610	1	43	0.0	-73.33	352.32	-5.46	-78.79
C[N@@H+](CCO)CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029984610	1	43	0.0	-71.57	352.86	-5.44	-77.01
O=C(NC1(CO)CN(C(=O)C2C[N@@H+]3CCN2CCC3)C1)C1=CC(=O)[N-]O1	REAL300029984661	0	49	0.0	-87.52	369.07	-3.31	-90.83
O=C(NC1(CO)CN(C(=O)C2C[N@H+]3CCN2CCC3)C1)C1=CC(=O)[N-]O1	REAL300029984661	1	49	0.0	-75.57	371.96	-3.53	-79.10
CC(C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300029984709	1	47	0.0	-72.19	382.84	-0.96	-73.15
C[N@H+]1CC=C(CC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029984770	0	47	0.0	-72.77	383.63	-0.52	-73.29
C[N@@H+]1CC=C(CC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029984770	1	47	0.0	-70.34	383.32	-0.56	-70.90
C[NH+]1CC(N2CC(C(=O)N3CC(CO)(NC(=O)C4=CC(=O)[N-]O4)C3)CC2=O)C1	REAL300029984784	1	51	0.0	-75.45	411.85	-2.23	-77.68
C[S+](C)CCC(O)C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029984792	0	45	0.0	-86.21	387.29	-3.32	-89.53
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029984826	0	47	0.0	-72.80	361.23	-4.67	-77.47
C[N@H+]1CC(O)CC1(C)C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029984826	1	47	0.0	-68.46	361.84	-5.39	-73.85
CN1CC[N@H+](C)CC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029984845	0	51	0.0	-81.97	398.66	-2.85	-84.82
CN1CC[N@@H+](C)CC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029984845	1	51	0.0	-59.60	397.33	-3.26	-62.86
CC(C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300029984846	0	50	0.0	-72.46	392.38	-3.71	-76.17
CC(C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300029984846	1	50	0.0	-68.27	392.57	-3.80	-72.07
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029984884	0	46	0.0	-67.49	385.04	-2.05	-69.54
C[N@@H+]1CCCC(O)(CC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029984894	0	50	0.0	-65.54	384.95	-2.75	-68.29
C[N@H+]1CCCC(O)(CC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029984894	1	50	0.0	-65.17	394.58	-2.45	-67.62
CC1C[NH+](CC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029984901	1	43	0.0	-72.05	355.48	-1.79	-73.84
CC[N@@H+]1CCCC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029984910	0	49	0.0	-67.63	377.31	-0.50	-68.13
CC[N@H+]1CCCC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029984910	1	49	0.0	-67.06	378.08	-0.60	-67.66
NC1=[NH+]C=CC=C1CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029984927	0	42	0.0	-66.99	358.97	-3.05	-70.04
O=C(NC1(CO)CN(C(=O)C2CCC[N@@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300029984943	0	47	0.0	-73.16	375.30	-0.98	-74.14
O=C(NC1(CO)CN(C(=O)C2CCC[N@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300029984943	1	47	0.0	-67.57	374.01	-0.61	-68.18
CC1C[N@@H+](C2CCC2C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)CCO1	REAL300029984980	0	54	0.0	-71.18	427.93	-1.01	-72.19
CC1C[N@H+](C2CCC2C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)CCO1	REAL300029984980	1	54	0.0	-74.91	427.99	-1.03	-75.94
O=C(NC1(CO)CN(C(=O)C2=CC=C(C[NH+]3CCCC3)O2)C1)C1=CC(=O)[N-]O1	REAL300029985003	0	50	0.0	-79.95	411.98	0.01	-79.94
O=C(C=CC[NH+]1CCCC1)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029985010	0	47	0.0	-78.46	384.89	-0.59	-79.05
O=C(NC1(CO)CN(C(=O)C2CC[NH+](C3CC3)CC2)C1)C1=CC(=O)[N-]O1	REAL300029985045	0	50	0.0	-74.54	387.30	-0.30	-74.84
CC[N@H+](C)CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029985108	0	42	0.0	-71.39	341.97	-2.22	-73.61
O=C(CN1CC2C=CC1C2)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029985193	0	45	0.0	-66.93	363.41	-1.00	-67.93
O=C(C[N@@H+]1CC2C=CC1C2)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029985193	1	45	0.0	-69.91	363.98	-0.89	-70.80
O=C(C[N@H+]1CC2C=CC1C2)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029985193	1	45	0.0	-69.91	363.98	-0.89	-70.80
CC1=CC=C(NCCC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)N=C1	REAL300029985220	0	48	0.0	-69.69	403.11	-1.47	-71.16
CC1=CC=C(NCCC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)[NH+]=C1	REAL300029985220	1	48	0.0	-69.69	403.11	-1.47	-71.16
O=C(NC1(CO)CN(C(=O)C2(C[NH+]3CCCC3)CCCC2)C1)C1=CC(=O)[N-]O1	REAL300029985280	0	56	0.0	-65.71	416.39	0.57	-65.14
O=C(NC1(CO)CN(C(=O)C23CCC[N@@H+]2CCCC3)C1)C1=CC(=O)[N-]O1	REAL300029985383	0	50	0.0	-66.50	374.47	-0.97	-67.47
O=C(NC1(CO)CN(C(=O)C23CCC[N@H+]2CCCC3)C1)C1=CC(=O)[N-]O1	REAL300029985383	1	50	0.0	-66.50	374.47	-0.97	-67.47
O=C(NC1(CO)CN(C(=O)C23CCC[N@@H+]2CC=CC3)C1)C1=CC(=O)[N-]O1	REAL300029985395	0	48	0.0	-66.68	369.01	-1.01	-67.69
O=C(NC1(CO)CN(C(=O)C23CCC[N@H+]2CC=CC3)C1)C1=CC(=O)[N-]O1	REAL300029985395	1	48	0.0	-66.68	369.01	-1.01	-67.69
CC(OCC[NH+](C)C)C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029985411	0	49	0.0	-68.41	397.82	-1.19	-69.60
C[NH+](C)CCOCCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029985425	0	49	0.0	-76.42	401.17	-2.02	-78.44
COCCN(C)CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029985427	0	46	0.0	-71.09	375.12	-3.03	-74.12
COCC[N@H+](C)CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029985427	1	46	0.0	-74.00	374.79	-3.01	-77.01
COCC[N@@H+](C)CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029985427	1	46	0.0	-74.00	374.79	-3.01	-77.01
CC(CCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029985436	0	48	0.0	-72.60	381.33	-1.12	-73.72
CC[N@H+](CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029985482	0	46	0.0	-69.60	367.43	-1.09	-70.69
CC1C[N@@H+]2CCN1C(C(=O)N1CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029985503	0	49	0.0	-76.43	374.37	-3.99	-80.42
C[N@@H+]1CC2CC1(C(=O)N1CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029985546	0	44	0.0	-78.23	353.19	-1.74	-79.97
CC1=NC(N)=CC=C1C=CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029985560	0	46	0.0	-73.59	389.45	-2.21	-75.80
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029985560	1	46	0.0	-73.59	389.45	-2.21	-75.80
CC1=C(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C=NN1CC[NH+](C)C	REAL300029985567	0	52	0.0	-81.74	419.88	-1.21	-82.95
O=C(C[N@@H+]1CC2CCC1C2)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029985570	0	47	0.0	-67.68	368.84	-0.97	-68.65
O=C(C[N@H+]1CC2CCC1C2)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029985570	1	47	0.0	-67.68	368.84	-0.97	-68.65
CC(C)[NH+]1CCC(CC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029985591	0	55	0.0	-68.96	421.96	0.72	-68.24
CC(C[NH+](C)C)C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029985608	0	45	0.0	-65.96	363.54	-1.72	-67.68
C[N@@H+]1CC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C(C(F)(F)F)C1	REAL300029985627	0	46	0.0	-78.64	375.66	-1.16	-79.80
C[N@H+]1CC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C(C(F)(F)F)C1	REAL300029985627	1	46	0.0	-78.64	375.66	-1.16	-79.80
CCN1CCC1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029985679	0	43	0.0	-71.93	355.81	-1.91	-73.84
CC[N@@H+]1CCC1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029985679	1	43	0.0	-72.24	356.14	-1.88	-74.12
CC[N@H+]1CCC1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029985679	1	43	0.0	-72.24	356.14	-1.88	-74.12
CC(C)[N@@H+]1CCCC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029985700	0	52	0.0	-67.12	394.73	-0.09	-67.21
CC(C)[N@H+]1CCCC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029985700	1	52	0.0	-67.12	394.73	-0.09	-67.21
CN1C=CN=C1N1CCC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029985702	0	50	0.0	-68.93	404.81	-0.46	-69.39
CN1C=C[NH+]=C1N1CCC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029985702	1	50	0.0	-68.93	404.81	-0.46	-69.39
CCC(C)(C)[NH2+]C(C)C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029985731	0	51	0.0	-68.10	390.34	-2.38	-70.48
C#CCN1CCCCC1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029985796	0	48	0.0	-68.50	380.13	-0.44	-68.94
C#CC[N@H+]1CCCCC1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029985796	1	48	0.0	-68.45	379.98	-0.47	-68.92
C#CC[N@@H+]1CCCCC1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029985796	1	48	0.0	-68.45	379.98	-0.47	-68.92
CNC1=NC(C)=CC=C1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029985800	0	45	0.0	-66.17	373.21	-2.25	-68.42
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029985800	1	45	0.0	-66.17	373.21	-2.25	-68.42
CCCC(C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029985819	0	48	0.0	-69.36	378.95	-0.90	-70.26
C[NH+](C)C(C)(C)C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029985829	0	45	0.0	-70.03	346.96	-1.92	-71.95
CC(CC[NH+](C)C)C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029985860	0	48	0.0	-67.35	385.17	-1.12	-68.47
O=C(NC1(CO)CN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1)C1=CC(=O)[N-]O1	REAL300029985933	0	53	0.0	-74.09	392.49	-0.30	-74.39
O=C(NC1(CO)CN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1)C1=CC(=O)[N-]O1	REAL300029985933	1	53	0.0	-59.63	400.33	0.58	-59.05
O=C(NC1(CO)CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1)C1=CC(=O)[N-]O1	REAL300029985974	0	48	0.0	-71.13	379.94	-0.08	-71.21
O=C(NC1(CO)CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1)C1=CC(=O)[N-]O1	REAL300029985974	1	48	0.0	-75.05	372.69	0.42	-74.63
COCCCC[N@H+](C)CCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029986031	0	55	0.0	-79.29	441.21	-1.04	-80.33
COCCCC[N@@H+](C)CCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029986031	1	55	0.0	-79.14	441.25	-1.04	-80.18
C[NH+](C)C12CCC(C(=O)N3CC(CO)(NC(=O)C4=CC(=O)[N-]O4)C3)(CC1)CC2	REAL300029986037	0	56	0.0	-81.04	406.68	-0.13	-81.17
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029986046	0	49	0.0	-67.19	383.04	-1.27	-68.46
C[N@H+]1CC(C)(C)CC1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029986046	1	49	0.0	-69.38	377.48	-1.21	-70.59
C[NH+](C)CCCCCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029986052	0	51	0.0	-76.17	411.11	0.03	-76.14
O=C(CC[NH+]1CCC(O)CC1)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029986058	0	50	0.0	-77.01	399.55	-3.77	-80.78
CCC[N@@H+]1CCCCC1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029986064	0	52	0.0	-70.97	405.53	0.13	-70.84
CCC[N@H+]1CCCCC1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029986064	1	52	0.0	-70.28	405.26	0.14	-70.14
CC[NH+]1CCN(CCC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029986074	0	54	0.0	-74.36	422.83	-2.23	-76.59
CCN1CC[NH+](CCC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029986074	1	54	0.0	-75.62	423.07	-2.19	-77.81
C[NH+]1CCN(CC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029986078	1	48	0.0	-74.90	383.21	-3.39	-78.29
CC(C)C[NH+]1CCC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029986236	0	55	0.0	-75.70	426.48	0.80	-74.90
CC1C[N@H+](C)CC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029986240	1	47	0.0	-67.71	371.16	-2.00	-69.71
CC1C[N@@H+](C)CC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029986240	1	47	0.0	-88.91	380.31	-1.82	-90.73
CCC1CCC[N@H+](CC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029986286	0	52	0.0	-71.80	398.10	0.17	-71.63
CCC1CCC[N@@H+](CC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029986286	1	52	0.0	-72.48	405.37	0.26	-72.22
C[NH+](C)CC1=CC=C(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029986298	0	47	0.0	-86.65	386.89	-1.45	-88.10
O=C(C[NH+]1CC2CC2C1)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029986324	0	44	0.0	-71.60	359.91	-0.97	-72.57
O=C(CC1([NH+]2CCCC2)CC1)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029986349	0	50	0.0	-69.69	389.32	-0.13	-69.82
CC([NH2+]C1(CO)CCCC1)C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029986375	0	53	0.0	-70.62	407.57	-4.92	-75.54
C[N@@H+]1CCCCC1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029986416	0	46	0.0	-72.31	353.47	-1.62	-73.93
C[N@H+]1CCCCC1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029986416	1	46	0.0	-71.25	352.98	-1.71	-72.96
O=C(NC1(CO)CN(C(=O)C2CC[N@@H+]2CC2=CC=CC=C2)C1)C1=CC(=O)[N-]O1	REAL300029986425	1	50	0.0	-76.31	415.93	1.13	-75.18
O=C(NC1(CO)CN(C(=O)C2CC[N@H+]2CC2=CC=CC=C2)C1)C1=CC(=O)[N-]O1	REAL300029986425	1	50	0.0	-69.72	409.02	0.83	-68.89
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029986432	0	55	0.0	-65.99	425.35	0.75	-65.24
CC(C)C[N@H+]1CCCC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029986432	1	55	0.0	-72.69	421.09	0.63	-72.06
C[NH+](C)C1CCN(CC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029986518	0	54	0.0	-74.91	417.52	-2.18	-77.09
C[N@@H+]1CCC(=CC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029986612	0	44	0.0	-77.23	362.38	-1.30	-78.53
C[N@H+]1CCC(=CC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029986612	1	44	0.0	-77.43	363.19	-1.33	-78.76
O=C(CNC1=CC=[NH+]C=C1)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029986620	0	42	0.0	-73.65	360.44	-3.59	-77.24
CC[NH+]1CCN(CC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029986698	0	51	0.0	-73.68	400.44	-2.75	-76.43
O=C(C=C1C[NH+]2CCC1CC2)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029986703	0	48	0.0	-68.61	380.83	-0.44	-69.05
C[NH+](C)C1(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029986763	0	49	0.0	-69.00	362.77	-0.99	-69.99
C[N@H+](CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029986780	0	50	0.0	-66.82	395.35	-3.47	-70.29
C[N@@H+](CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300029986780	1	50	0.0	-71.17	394.93	-3.57	-74.74
CCC1C[NH+](CC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029986788	1	46	0.0	-72.92	376.64	-1.06	-73.98
O=C(NC1(CO)CN(C(=O)C2C[NH+](C3CCOCC3)C2)C1)C1=CC(=O)[N-]O1	REAL300029986792	0	51	0.0	-76.91	408.27	-1.85	-78.76
O=C(NC1(CO)CN(C(=O)C2([NH+]3CCCC3)CCC2)C1)C1=CC(=O)[N-]O1	REAL300029986795	0	50	0.0	-66.83	378.74	-0.64	-67.47
C[N@@H+]1CCC[C@H]1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029986813	0	43	0.0	-68.87	346.56	-2.07	-70.94
C[N@H+]1CCC[C@H]1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029986813	1	43	0.0	-68.91	343.45	-2.36	-71.27
CC[N@@H+]1CCOCC1CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029986858	0	50	0.0	-73.18	387.65	-2.55	-75.73
CC[N@H+]1CCOCC1CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029986858	1	50	0.0	-77.32	392.50	-2.39	-79.71
O=C(NC1(CO)CN(C(=O)C2=CC(=O)NC3=C2CCC[NH2+]3)C1)C1=CC(=O)[N-]O1	REAL300029986867	0	47	0.0	-83.25	391.94	-3.46	-86.71
O=C(NC1(CO)CN(C(=O)C2C[NH+](C3CCCCC3)C2)C1)C1=CC(=O)[N-]O1	REAL300029986892	0	53	0.0	-75.58	416.49	0.49	-75.09
COC1C[N@@H+]2CCCC2(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029986914	0	51	0.0	-67.15	391.14	-2.30	-69.45
COC1C[N@H+]2CCCC2(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029986914	1	51	0.0	-72.61	387.07	-1.76	-74.37
NC1=CC=C(CCC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300029986929	0	45	0.0	-72.45	383.49	-2.36	-74.81
O=C(CC1=CC2=C[NH+]=CN2C=C1)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029986937	0	44	0.0	-71.51	378.66	1.29	-70.22
NC1=[NH+]C2=CC(C(=O)N3CC(CO)(NC(=O)C4=CC(=O)[N-]O4)C3)=CC=C2N1	REAL300029986998	1	43	0.0	-77.11	363.97	-2.13	-79.24
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029987061	0	46	0.0	-76.66	374.28	-1.14	-77.80
C[NH+](C)CCC1(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300029987077	0	55	0.0	-86.86	420.06	0.38	-86.48
CC1CCCC(C)[NH+]1CCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029987079	0	55	0.0	-69.30	417.71	0.20	-69.10
C[NH+](C)C1CCC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029987082	0	52	0.0	-76.68	394.02	-0.41	-77.09
C[NH+](C)CCC1(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029987083	0	49	0.0	-83.74	397.31	-0.33	-84.07
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029987088	0	52	0.0	-75.45	394.17	-0.33	-75.78
C[N@@H+]1CC=CCC1CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029987089	0	47	0.0	-78.50	375.65	-0.81	-79.31
C[N@H+]1CC=CCC1CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029987089	1	47	0.0	-78.50	375.65	-0.81	-79.31
CC1=CC(C=CC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)=CN=C1N	REAL300029987169	0	46	0.0	-78.32	389.36	-1.91	-80.23
CC1=CC(C=CC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)=C[NH+]=C1N	REAL300029987169	1	46	0.0	-78.32	389.36	-1.91	-80.23
C[NH+](C)CCOCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029987186	0	46	0.0	-75.65	380.21	-1.76	-77.41
CCCCC[N@H+](C)CCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029987194	0	54	0.0	-76.20	429.07	0.67	-75.53
CCCCC[N@@H+](C)CCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029987194	1	54	0.0	-76.20	429.07	0.67	-75.53
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029987211	0	50	0.0	-75.50	402.47	-0.94	-76.44
[NH2+]=C1SC=CN1CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029987248	0	39	0.0	-69.28	351.51	-2.67	-71.95
C[C@@H](OCC[NH+](C)C)C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029987370	0	49	0.0	-68.57	397.36	-1.25	-69.82
C[NH+]1CCC(O)(C2(C(=O)N3CC(CO)(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029987375	0	54	0.0	-85.23	420.00	-2.60	-87.83
O=C(CC[NH+]1CCCCCC1)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029987468	0	52	0.0	-76.91	398.45	-0.23	-77.14
O=C(C[NH+]1CCCCC1)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029987474	0	46	0.0	-71.30	366.21	-1.00	-72.30
C[N@@H+]1CCCC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029987476	0	46	0.0	-75.34	364.33	-1.46	-76.80
C[N@H+]1CCCC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029987476	1	46	0.0	-67.19	359.87	-1.29	-68.48
O=C(C[NH+]1CCC(CO)CC1)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029987478	0	50	0.0	-72.86	397.89	-3.70	-76.56
O=C(C[NH+]1CCCCCC1)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029987484	0	49	0.0	-69.88	375.55	-0.80	-70.68
CN1C=C[N+](CC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029987491	0	41	0.0	-70.35	355.49	0.63	-69.72
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029987514	0	55	0.0	-76.69	407.37	-0.13	-76.82
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029987514	1	55	0.0	-78.21	410.13	-0.29	-78.50
C[NH+](C)CC1=CC=C(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029987520	1	46	0.0	-84.41	385.88	-1.20	-85.61
C[NH+](C)CC1=CC=C(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300029987530	0	48	0.0	-82.53	393.39	-1.76	-84.29
O=C(C[NH+]1CCC(O)CC1)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029987554	1	47	0.0	-75.89	377.28	-4.35	-80.24
C[N@@H+](CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300029987562	1	43	0.0	-69.60	354.15	-1.46	-71.06
CC(C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300029987564	1	51	0.0	-77.45	401.35	-2.98	-80.43
O=C(CC[N@H+]1CCC(F)C1)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029987572	1	46	0.0	-79.47	378.45	-1.08	-80.55
COC1C[N@@H+](C)C(C)(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029987591	1	50	0.0	-80.60	386.60	-2.55	-83.15
C[NH+](C)CCC1=CC=CC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029987614	0	52	0.0	-76.55	420.44	0.93	-75.62
CC(CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029987621	0	48	0.0	-76.13	381.28	-0.85	-76.98
O=C(NC1(CO)CN(C(=O)C2CC[N@@H+]3CCOCC23)C1)C1=CC(=O)[N-]O1	REAL300029987648	0	48	0.0	-76.67	381.15	-2.66	-79.33
O=C(NC1(CO)CN(C(=O)C2CC[N@H+]3CCOCC23)C1)C1=CC(=O)[N-]O1	REAL300029987648	1	48	0.0	-72.66	379.05	-2.55	-75.21
CC1=[NH+]C=C2C=CC(C(=O)N3CC(CO)(NC(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300029987658	0	44	0.0	-73.12	371.70	-0.03	-73.15
CN1CCOCC1CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029987684	0	47	0.0	-71.50	367.46	-3.19	-74.69
C[N@@H+]1CCOCC1CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029987684	1	47	0.0	-81.56	375.16	-2.98	-84.54
C[N@H+]1CCOCC1CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029987684	1	47	0.0	-71.50	367.46	-3.19	-74.69
C[NH+](C)CC(C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029987696	0	52	0.0	-81.82	418.22	0.98	-80.84
CC[NH+]1CCN(CC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029987702	0	51	0.0	-73.68	400.44	-2.75	-76.43
CC1=CC(N)=[NH+]C=C1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029987785	1	42	0.0	-75.71	352.64	-3.63	-79.34
NC1=CC=C(CCC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300029987788	0	45	0.0	-72.45	383.49	-2.36	-74.81
O=C(NC1(CO)CN(C(=O)C2(CC[NH+]3CCCCC3)CC2)C1)C1=CC(=O)[N-]O1	REAL300029987821	0	56	0.0	-77.08	438.88	1.52	-75.56
CC1(O)CC[N@H+](CC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029987863	0	47	0.0	-71.20	381.02	-4.44	-75.64
CC1(O)CC[N@@H+](CC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029987863	1	47	0.0	-71.89	380.60	-4.47	-76.36
C[NH+](C)CCN1N=CC=C1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029987874	0	49	0.0	-64.56	399.20	-1.72	-66.28
C[NH+]1CC(CC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029987917	0	43	0.0	-76.21	355.74	-2.03	-78.24
O=C(NC1(CO)CN(C(=O)C2CC[N@@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300029987923	0	50	0.0	-73.32	396.62	0.07	-73.25
O=C(NC1(CO)CN(C(=O)C2CC[N@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300029987923	1	50	0.0	-73.69	394.87	-0.11	-73.80
C[N@H+](CCO)CCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029987983	0	46	0.0	-73.77	374.93	-4.85	-78.62
C[N@@H+](CCO)CCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029987983	1	46	0.0	-74.67	374.76	-4.83	-79.50
C[C@@H](C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029987984	0	42	0.0	-71.19	342.11	-2.53	-73.72
C[N@@H+]1CCCCC1CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029988012	0	49	0.0	-62.31	376.08	-0.80	-63.11
C[N@H+]1CCCCC1CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029988012	1	49	0.0	-67.99	376.08	-0.80	-68.79
CC1=C2C=C(C(=O)N3CC(CO)(NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029988047	1	44	0.0	-81.02	372.49	0.78	-80.24
CC(C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300029988048	0	46	0.0	-68.89	370.79	-1.45	-70.34
CC1CC[N@@H+]1CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029988054	1	43	0.0	-70.13	355.51	-1.80	-71.93
CC1CC[N@H+]1CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029988054	1	43	0.0	-71.36	355.50	-1.81	-73.17
C[NH+](C)CC=CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029988075	0	43	0.0	-80.03	361.57	-1.62	-81.65
CC1(C)C[NH+](CC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029988093	1	46	0.0	-71.95	375.05	-1.24	-73.19
O=C(CCCC[NH+]1CCCCC1)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029988108	0	55	0.0	-75.82	431.45	1.16	-74.66
CC1=C(C)[NH+]=C(CCC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300029988125	1	47	0.0	-68.62	395.63	-1.52	-70.14
C[N@@H+]1CCC2=C(C1)SC(C(=O)N1CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C1)=C2	REAL300029988126	1	47	0.0	-82.92	394.54	-0.09	-83.01
C[N@H+]1CCC2=C(C1)SC(C(=O)N1CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C1)=C2	REAL300029988126	1	47	0.0	-84.39	394.34	-0.10	-84.49
C[NH+]1CCC(C2(C(=O)N3CC(CO)(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029988140	0	53	0.0	-85.79	412.53	0.63	-85.16
CC1=C2C=C(C(=O)N3CC(CO)(NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029988151	1	44	0.0	-81.02	372.49	0.78	-80.24
C[NH+](C)CCSCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029988167	0	46	0.0	-80.80	391.23	-0.91	-81.71
CC(C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300029988189	0	52	0.0	-75.58	419.06	1.10	-74.48
CC(C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300029988189	1	52	0.0	-73.11	419.11	1.04	-72.07
NC1=[NH+]C2=C(C=C1C(=O)N1CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C1)CCCC2	REAL300029988193	1	49	0.0	-63.49	394.47	-1.57	-65.06
O=C(C[N@H+]1CCCC1CO)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029988202	0	47	0.0	-70.14	370.25	-4.33	-74.47
O=C(C[N@@H+]1CCCC1CO)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029988202	1	47	0.0	-71.46	379.25	-4.31	-75.77
CC[NH+](CC)CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029988205	0	45	0.0	-69.82	355.45	-1.82	-71.64
C[N@H+](CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029988222	0	47	0.0	-74.82	383.73	-0.66	-75.48
C[N@@H+](CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300029988222	1	47	0.0	-76.18	385.20	-0.63	-76.81
O=C(C[NH+]1CCC1)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029988224	1	40	0.0	-72.00	334.29	-2.45	-74.45
CC[NH+](CC)CCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029988292	0	48	0.0	-73.31	381.93	-0.96	-74.27
NC(=O)C1CC[NH+](CC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029988318	0	50	0.0	-86.58	402.52	-4.31	-90.89
C[NH+](C)CC1=CNC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029988382	0	47	0.0	-81.51	386.65	-1.62	-83.13
CC(C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300029988408	0	50	0.0	-74.75	395.46	-4.01	-78.76
O=C(NC1(CO)CN(C(=O)C2CC3COCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029988417	0	48	0.0	-75.33	382.34	-2.59	-77.92
O=C(NC1(CO)CN(C(=O)C2CC3COCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029988417	1	48	0.0	-76.25	380.02	-2.53	-78.78
CC(C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300029988439	1	43	0.0	-68.82	349.90	-2.05	-70.87
CCC(CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300029988453	0	51	0.0	-77.02	395.20	-0.38	-77.40
NC1=CC=C(C=CC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300029988462	0	43	0.0	-78.32	371.36	-2.69	-81.01
C[NH+](C)CC(C)(C)C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029988463	0	48	0.0	-73.27	365.46	-1.68	-74.95
C[NH+](C)C(CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300029988510	0	52	0.0	-61.12	411.86	1.01	-60.11
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029988553	0	46	0.0	-72.94	353.00	-1.73	-74.67
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029988553	1	46	0.0	-66.79	365.84	-1.30	-68.09
CC1CN2CC[N@@H+]1CC2C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029988571	0	49	0.0	-83.78	375.74	-4.02	-87.80
CC1CN2CC[N@H+]1CC2C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029988571	1	49	0.0	-74.12	374.06	-4.08	-78.20
C[NH+](C)CC(O)CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029988607	0	46	0.0	-79.23	376.84	-3.82	-83.05
C[NH+]1C2CCC1CC(C(=O)N1CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029988610	0	50	0.0	-75.11	360.78	-0.82	-75.93
C#CC1(O)CC[NH+](C(C)C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029988652	0	52	0.0	-69.09	417.29	-3.07	-72.16
C=CCC(C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300029988667	0	46	0.0	-69.29	372.10	-1.16	-70.45
O=C(NC1(CO)CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029988683	0	50	0.0	-72.30	389.63	-0.19	-72.49
O=C(NC1(CO)CN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300029988683	1	50	0.0	-71.44	389.90	-0.20	-71.64
C[NH+]1CCC(C)(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029988701	0	49	0.0	-72.15	374.44	-1.32	-73.47
C[NH+]1CCC(O)(CC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029988707	0	50	0.0	-73.91	394.63	-2.58	-76.49
COCC[N@@H+]1CCCC1CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029988726	0	53	0.0	-74.90	413.04	-1.56	-76.46
COCC[N@H+]1CCCC1CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029988726	1	53	0.0	-71.85	422.62	-1.42	-73.27
C[NH+]1C2CCC1CC(CC(=O)N1CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300029988742	0	53	0.0	-78.96	389.90	-0.43	-79.39
C[NH+](C)CCN1N=CC=C1C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029988779	0	49	0.0	-80.25	385.06	0.27	-79.98
C[N@@H+]1CCC2=C(C1)SC(C(=O)NC1(CO)CN(C(=O)C3=CC(=O)[N-]O3)C1)=C2	REAL300029988815	1	47	0.0	-74.78	396.30	0.04	-74.74
C[N@H+]1CCC2=C(C1)SC(C(=O)NC1(CO)CN(C(=O)C3=CC(=O)[N-]O3)C1)=C2	REAL300029988815	1	47	0.0	-74.91	396.01	0.20	-74.71
C[NH+]1CCC(C2(C(=O)NC3(CO)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300029988824	0	53	0.0	-66.91	410.50	0.80	-66.11
CC1=C2C=C(C(=O)NC3(CO)CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300029988836	1	44	0.0	-69.16	374.51	1.07	-68.09
C[NH+](C)CCSCC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029988849	0	46	0.0	-72.47	389.39	-1.02	-73.49
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2COCC[N@@H+]2C1	REAL300029988859	0	48	0.0	-67.54	380.90	-2.66	-70.20
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2COCC[N@H+]2C1	REAL300029988859	1	48	0.0	-65.21	380.95	-2.61	-67.82
C[N@@H+]1CCCC1C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029989021	0	52	0.0	-63.95	373.49	3.69	-60.26
C[N@H+]1CCCC1C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029989021	1	52	0.0	-59.41	382.82	4.21	-55.20
CC(C)[N@@H+]1CCCC1C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029989197	0	58	0.0	-57.17	397.17	4.94	-52.23
CC(C)[N@H+]1CCCC1C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029989197	1	58	0.0	-55.48	393.56	5.26	-50.22
CC1=[NH+]C=CN1CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029989226	1	50	0.0	-60.96	385.87	4.85	-56.11
O=C(NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)C1C[NH+]2CCC1CC2	REAL300029989252	0	56	0.0	-59.12	397.80	5.02	-54.10
C[C@@H]1[C@H](C(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)CC[N@@H+]1C	REAL300029989282	0	55	0.0	-65.08	388.15	4.12	-60.96
C[C@@H]1[C@H](C(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)CC[N@H+]1C	REAL300029989282	1	55	0.0	-61.50	399.20	4.48	-57.02
CC[C@@H]1[C@@H](C(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)CC[N@@H+]1C	REAL300029989284	0	58	0.0	-62.53	413.03	4.94	-57.59
CC[C@@H]1[C@@H](C(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)CC[N@H+]1C	REAL300029989284	1	58	0.0	-64.30	417.56	5.43	-58.87
CC[N@@H+]1CCOC(C(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)C1	REAL300029989290	1	56	0.0	-61.69	411.82	4.21	-57.48
CC[N@H+]1CCOC(C(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)C1	REAL300029989290	1	56	0.0	-67.55	401.78	4.12	-63.43
CC[NH+](CC)CC(F)C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029989312	0	57	0.0	-60.31	419.66	5.25	-55.06
CC1CCC(C)[NH+]1CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029989341	0	58	0.0	-58.59	413.32	5.47	-53.12
O=C(CCC[NH+]1CCCC1)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029989344	0	58	0.0	-64.61	426.17	5.81	-58.80
O=C(CC[NH+]1CCCCC1)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029989346	0	58	0.0	-64.14	419.89	5.69	-58.45
C[N@H+](CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)C1CCC1	REAL300029989384	0	55	0.0	-61.49	402.58	5.22	-56.27
C[N@@H+](CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)C1CCC1	REAL300029989384	1	55	0.0	-61.06	402.61	5.20	-55.86
C[N@@H+]1CCCC1CCC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029989456	0	58	0.0	-61.61	423.93	5.75	-55.86
C[N@H+]1CCCC1CCC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029989456	1	58	0.0	-64.33	418.27	5.29	-59.04
C[NH+]1CCC(C(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)CC1	REAL300029989473	0	55	0.0	-64.11	400.85	4.87	-59.24
O=C(NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)C1=CN2C=[NH+]C=C2C=C1	REAL300029989558	0	50	0.0	-65.54	386.51	6.78	-58.76
O=C(CC[NH+]1CCOCC1)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029989565	1	56	0.0	-66.61	411.62	3.24	-63.37
CC1=C[NH+]=CN1CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029989576	1	50	0.0	-61.82	385.06	5.58	-56.24
C[N@@H+]1CCC(CC(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)C1	REAL300029989603	0	55	0.0	-64.39	403.25	4.80	-59.59
C[N@H+]1CCC(CC(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)C1	REAL300029989603	1	55	0.0	-65.76	402.96	4.84	-60.92
CCC(C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)[NH+](C)C	REAL300029989610	0	54	0.0	-63.23	386.85	4.23	-59.00
O=C(NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)C1=CC2=C[NH+]=CN2C=C1	REAL300029989630	1	50	0.0	-66.43	386.81	6.73	-59.70
C[NH+](C)CCCCC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029989659	0	57	0.0	-65.94	421.71	5.37	-60.57
CCC[N@H+](C)CCC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029989672	0	57	0.0	-65.21	417.94	5.22	-59.99
CCC[N@@H+](C)CCC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029989672	1	57	0.0	-65.32	417.92	5.14	-60.18
CCC[N@H+](C)CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029989675	0	54	0.0	-63.62	395.72	4.65	-58.97
CCC[N@@H+](C)CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029989675	1	54	0.0	-63.98	395.61	4.66	-59.32
O=C(NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)C12CC[N@H+](C1)CCC2	REAL300029989687	0	56	0.0	-63.45	397.85	4.43	-59.02
O=C(NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)C12CC[N@@H+](C1)CCC2	REAL300029989687	1	56	0.0	-63.61	398.20	4.47	-59.14
C[N@@H+]1CCC[C@@H]1C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029989710	0	52	0.0	-64.20	375.38	3.73	-60.47
C[N@H+]1CCC[C@@H]1C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029989710	1	52	0.0	-60.71	381.56	4.33	-56.38
CC[NH+](CC)CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029989739	0	54	0.0	-62.09	392.44	4.60	-57.49
CC1CC[NH+](CC(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)CC1	REAL300029989790	0	58	0.0	-63.97	419.29	5.67	-58.30
C[NH+](C)CC1(C(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)CC1	REAL300029989807	0	55	0.0	-67.84	405.84	5.04	-62.80
C[NH+]1CCC(C(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)CC1	REAL300029989850	0	55	0.0	-64.11	400.85	4.87	-59.24
CCC(C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)[NH+](CC)CC	REAL300029989877	0	60	0.0	-57.80	418.94	5.25	-52.55
CC[N@H+](C)CCC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029989915	0	54	0.0	-64.89	396.42	4.40	-60.49
CC[N@@H+](C)CCC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029989915	1	54	0.0	-64.71	396.42	4.40	-60.31
CC1CCC[N@@H+]1CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029989942	0	55	0.0	-60.74	401.58	4.96	-55.78
CC1CCC[N@H+]1CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029989942	1	55	0.0	-60.06	394.99	4.62	-55.44
CC1CC[N@H+](CC(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)C1	REAL300029989944	0	55	0.0	-62.62	402.59	4.96	-57.66
CC1CC[N@@H+](CC(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)C1	REAL300029989944	1	55	0.0	-61.66	402.37	4.94	-56.72
CC1(C)CC[N@H+](CC(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)C1	REAL300029989947	0	58	0.0	-62.75	421.76	5.42	-57.33
CC1(C)CC[N@@H+](CC(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)C1	REAL300029989947	1	58	0.0	-62.47	421.43	5.47	-57.00
C[N@H+](CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)CC(C)(C)C	REAL300029989948	0	60	0.0	-63.27	424.63	5.65	-57.62
C[N@@H+](CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)CC(C)(C)C	REAL300029989948	1	60	0.0	-63.42	426.48	5.76	-57.66
CC[C@@H](C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)[NH+](C)C	REAL300029989955	0	54	0.0	-62.71	387.07	4.22	-58.49
C[NH+](C)CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990044	0	48	0.0	-64.16	356.35	3.24	-60.92
O=C(C[NH+]1CCCCCC1)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990047	0	58	0.0	-63.05	407.46	5.27	-57.78
CN1C=C[N+](CC(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)=C1	REAL300029990050	0	50	0.0	-62.21	387.57	6.79	-55.42
C[N@@H+]1CCCC(C(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)C1	REAL300029990054	0	55	0.0	-59.81	394.75	5.07	-54.74
C[N@H+]1CCCC(C(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)C1	REAL300029990054	1	55	0.0	-64.97	401.07	4.82	-60.15
O=C(NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)C1CCC[N@@H+]1C1CC1	REAL300029990058	0	56	0.0	-58.05	413.34	5.72	-52.33
O=C(NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)C1CCC[N@H+]1C1CC1	REAL300029990058	1	56	0.0	-58.57	400.63	4.85	-53.72
CC(C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)[NH+]1CCC1	REAL300029990071	1	52	0.0	-61.05	384.50	4.40	-56.65
CCC(CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)C[NH+](C)C	REAL300029990075	0	60	0.0	-65.12	427.37	5.73	-59.39
O=C(C[NH+]1CCC(O)CC1)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990092	1	56	0.0	-66.42	409.15	1.79	-64.63
C[N@H+](CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)C1CC1	REAL300029990093	0	52	0.0	-61.11	385.59	4.60	-56.51
C[N@@H+](CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)C1CC1	REAL300029990093	1	52	0.0	-60.99	385.61	4.68	-56.31
C[NH+]1CC(CC(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)C1	REAL300029990106	0	52	0.0	-66.51	387.77	4.01	-62.50
CC(C)(C)[N@@H+]1CCC1C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990116	0	58	0.0	-62.09	392.78	4.58	-57.51
CC(C)(C)[N@H+]1CCC1C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990116	1	58	0.0	-58.03	417.73	4.96	-53.07
C[C@@H](C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)[NH+](C)C	REAL300029990127	0	51	0.0	-61.08	374.49	3.70	-57.38
[NH2+]=C1SC=CN1CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990178	0	48	0.0	-60.71	383.41	3.47	-57.24
C[N@H+](CCO)CCC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990184	0	55	0.0	-65.41	406.79	1.26	-64.15
C[N@@H+](CCO)CCC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990184	1	55	0.0	-65.08	406.70	1.21	-63.87
C[C@@H](C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)[NH+](C)C	REAL300029990185	0	51	0.0	-61.08	374.49	3.70	-57.38
C[N@@H+]1CCCC[C@@H]1C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990189	0	55	0.0	-60.90	384.26	4.50	-56.40
C[N@H+]1CCCC[C@@H]1C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990189	1	55	0.0	-62.14	398.36	4.84	-57.30
C[N@@H+]1CCC(=CC(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)C1	REAL300029990249	0	53	0.0	-67.85	395.15	4.80	-63.05
C[N@H+]1CCC(=CC(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)C1	REAL300029990249	1	53	0.0	-67.84	394.36	4.82	-63.02
C[NH+](C)CCOCC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990269	0	55	0.0	-65.12	412.22	4.19	-60.93
C=CCC(C)(C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)[NH+](C)C	REAL300029990282	0	58	0.0	-60.59	411.61	5.25	-55.34
C[S+](C)CCC(O)C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990286	0	54	0.0	-58.10	421.19	2.79	-55.31
CC1CN(CC(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)C1	REAL300029990319	0	52	0.0	-63.15	387.69	4.34	-58.81
CC1C[NH+](CC(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)C1	REAL300029990319	1	52	0.0	-63.15	387.69	4.34	-58.81
CN(CCO)CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990336	0	52	0.0	-64.85	384.46	0.67	-64.18
C[N@H+](CCO)CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990336	1	52	0.0	-63.15	384.35	0.65	-62.50
C[N@@H+](CCO)CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990336	1	52	0.0	-63.15	384.35	0.65	-62.50
CC[N@@H+]1CCCC(C(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)C1	REAL300029990353	0	58	0.0	-62.57	418.83	5.51	-57.06
CC[N@H+]1CCCC(C(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)C1	REAL300029990353	1	58	0.0	-62.57	418.83	5.51	-57.06
CC(CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)C[NH+](C)C	REAL300029990355	0	57	0.0	-65.07	413.53	5.24	-59.83
CC[N@H+](C)CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990359	0	51	0.0	-63.36	374.07	3.95	-59.41
CC[N@H+](CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)C1CC1	REAL300029990388	0	55	0.0	-61.27	401.87	5.25	-56.02
CC[NH+](CC)CCC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990397	0	57	0.0	-63.21	414.29	5.15	-58.06
CC1(O)CC[N@H+](CC(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)C1	REAL300029990431	0	56	0.0	-63.90	412.96	1.65	-62.25
C[NH+](C)CC=CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990434	0	52	0.0	-66.03	392.30	4.45	-61.58
CC(OCC[NH+](C)C)C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990440	0	58	0.0	-64.55	432.01	4.87	-59.68
C[NH+](C)CCOCCC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990446	0	58	0.0	-62.88	433.15	4.05	-58.83
COCCN(C)CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990447	0	55	0.0	-62.85	406.60	3.07	-59.78
COCC[N@H+](C)CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990447	1	55	0.0	-64.90	406.72	3.08	-61.82
COCC[N@@H+](C)CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990447	1	55	0.0	-64.90	406.72	3.08	-61.82
CC(CCC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)[NH+](C)C	REAL300029990464	0	57	0.0	-64.53	413.70	5.00	-59.53
CCN1CCC1C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990470	0	52	0.0	-61.57	388.12	4.21	-57.36
CC[N@@H+]1CCC1C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990470	1	52	0.0	-61.70	380.66	3.90	-57.80
CC[N@H+]1CCC1C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990470	1	52	0.0	-61.70	380.66	3.90	-57.80
O=C(C[N@H+]1CCCC1CO)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990482	0	56	0.0	-60.77	409.40	1.76	-59.01
C=CCC(C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)[NH+](C)C	REAL300029990514	0	55	0.0	-64.41	400.05	4.76	-59.65
C[N@@H+]1CC(C)(C)CC1C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990518	0	58	0.0	-64.22	415.66	4.81	-59.41
C[NH+](C)CCCCCC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990520	0	60	0.0	-66.19	443.21	6.15	-60.04
CCCC(C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)[NH+](C)C	REAL300029990540	0	57	0.0	-64.43	408.37	5.00	-59.43
C[N@@H+]1CCCCC1C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990563	0	55	0.0	-62.24	398.25	4.84	-57.40
C[N@H+]1CC=C(CC(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)CC1	REAL300029990584	0	56	0.0	-64.37	415.72	5.56	-58.81
C[N@@H+]1CC=C(CC(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)CC1	REAL300029990584	1	56	0.0	-64.37	415.72	5.56	-58.81
O=C(C=CC[NH+]1CCCC1)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990618	0	56	0.0	-65.06	418.64	5.65	-59.41
O=C(CC[NH+]1CCCC1)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990644	0	55	0.0	-64.31	404.66	4.92	-59.39
O=C(C[N@@H+]1CC2CCC1C2)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990675	0	56	0.0	-59.91	400.38	5.13	-54.78
CC(C[NH+](C)C)C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990735	0	54	0.0	-59.79	394.02	4.64	-55.15
C[N@@H+]1CCCCC1CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990780	0	58	0.0	-57.35	408.33	5.28	-52.07
C[N@H+]1CCCCC1CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990780	1	58	0.0	-57.35	408.33	5.28	-52.07
CC(C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)N1CC(C)C1	REAL300029990789	0	55	0.0	-61.50	405.49	4.90	-56.60
CC(C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)[NH+]1CC(C)C1	REAL300029990789	1	55	0.0	-61.50	405.49	4.90	-56.60
CC1CCN1CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990791	0	52	0.0	-61.39	382.26	4.05	-57.34
CC1CC[N@@H+]1CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990791	1	52	0.0	-61.28	382.88	4.11	-57.17
CC1CC[N@H+]1CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990791	1	52	0.0	-61.28	382.88	4.11	-57.17
C[NH+](C)CC(O)CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990793	0	55	0.0	-67.38	408.82	2.21	-65.17
CC1CN(C)CC(C(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)O1	REAL300029990808	0	56	0.0	-70.05	408.32	4.31	-65.74
CC1C[N@H+](C)CC(C(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)O1	REAL300029990808	1	56	0.0	-64.75	415.08	4.28	-60.47
CC1C[N@@H+](C)CC(C(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)O1	REAL300029990808	1	56	0.0	-64.75	415.08	4.28	-60.47
C[NH+](C)[C@H]1C[C@H](C(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)C1	REAL300029990851	0	55	0.0	-61.95	405.89	5.00	-56.95
CC(CC[NH+](C)C)C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990857	0	57	0.0	-65.23	416.38	5.11	-60.12
C[NH+]1CCN(CC(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)CC1	REAL300029990872	1	57	0.0	-64.35	415.41	2.71	-61.64
NC(=[NH2+])SCC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990894	0	46	0.0	-63.53	364.87	0.11	-63.42
C[N@@H+]1CC=CCC1CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990918	0	56	0.0	-64.04	407.77	5.28	-58.76
C[N@H+]1CC=CCC1CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990918	1	56	0.0	-57.93	402.47	5.25	-52.68
C[C@@H](OCC[NH+](C)C)C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990931	0	58	0.0	-65.16	432.05	4.90	-60.26
C[N@@H+]1CCC[C@H]1C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029991001	0	52	0.0	-63.95	373.95	3.69	-60.26
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CC1C(C(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)CC[N@@H+]1C	REAL300029991025	0	55	0.0	-61.79	393.18	4.36	-57.43
CC1C(C(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)CC[N@H+]1C	REAL300029991025	1	55	0.0	-61.79	393.18	4.36	-57.43
CN1CCOCC1CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029991052	0	56	0.0	-66.73	407.19	3.06	-63.67
C[N@@H+]1CCOCC1CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029991052	1	56	0.0	-67.76	406.93	3.07	-64.69
C[N@H+]1CCOCC1CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029991052	1	56	0.0	-67.76	406.93	3.07	-64.69
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CCC(C(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCC12)[NH+](CC)CC	REAL300029991740	0	60	0.0	-59.20	420.46	5.52	-53.68
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CC1CC[N@H+](CC(=O)N2CCC3(NC(=O)C4=CC(=O)[N-]O4)CCCCC23)C1	REAL300029991812	0	55	0.0	-64.00	404.66	5.11	-58.89
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CC[N@H+]1CCOC(C(=O)N2CCC3(NC(=O)C4=CC(=O)[N-]O4)CCCCC23)C1	REAL300029991990	1	56	0.0	-64.65	409.57	4.21	-60.44
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CC1=C[NH+]=CN1CC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300029992017	1	50	0.0	-65.77	388.85	5.74	-60.03
C[C@@H]1[C@H](C(=O)N2CCC3(NC(=O)C4=CC(=O)[N-]O4)CCCCC23)CC[N@@H+]1C	REAL300029992023	0	55	0.0	-62.94	395.42	4.63	-58.31
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CC[C@@H]1[C@@H](C(=O)N2CCC3(NC(=O)C4=CC(=O)[N-]O4)CCCCC23)CC[N@@H+]1C	REAL300029992025	0	58	0.0	-68.47	412.45	4.92	-63.55
CC[C@@H]1[C@@H](C(=O)N2CCC3(NC(=O)C4=CC(=O)[N-]O4)CCCCC23)CC[N@H+]1C	REAL300029992025	1	58	0.0	-64.84	416.47	5.29	-59.55
CC1CCC(C)[NH+]1CC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300029992031	0	58	0.0	-60.85	416.16	5.29	-55.56
O=C(CCC[NH+]1CCCC1)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300029992034	0	58	0.0	-66.00	428.98	5.93	-60.07
O=C(CC[NH+]1CCCCC1)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300029992037	0	58	0.0	-65.62	423.09	5.86	-59.76
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C[N@@H+](CC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCC12)C1CCC1	REAL300029992119	1	55	0.0	-63.59	405.32	5.38	-58.21
C[NH+]1CCC(C(=O)N2CCC3(NC(=O)C4=CC(=O)[N-]O4)CCCCC23)CC1	REAL300029992148	0	55	0.0	-66.37	403.90	4.95	-61.42
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300029992172	0	52	0.0	-59.25	377.42	3.86	-55.39
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300029992172	1	52	0.0	-61.58	379.72	4.20	-57.38
C[N@@H+]1CCCC1CCC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300029992191	0	58	0.0	-63.54	426.43	5.87	-57.67
C[N@H+]1CCCC1CCC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300029992191	1	58	0.0	-66.00	421.02	5.46	-60.54
CC1C(C(=O)N2CCC3(NC(=O)C4=CC(=O)[N-]O4)CCCCC23)CC[N@@H+]1C	REAL300029992299	0	55	0.0	-70.73	394.83	4.32	-66.41
CC1C(C(=O)N2CCC3(NC(=O)C4=CC(=O)[N-]O4)CCCCC23)CC[N@H+]1C	REAL300029992299	1	55	0.0	-63.76	401.57	4.61	-59.15
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300029992343	0	58	0.0	-62.48	402.97	4.69	-57.79
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300029992343	1	58	0.0	-62.57	420.58	5.12	-57.45
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C=CCC(C)(C(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCC12)[NH+](C)C	REAL300029992371	0	58	0.0	-70.14	400.75	5.31	-64.83
O=C(CC[NH+]1CCCC1)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300029992388	0	55	0.0	-65.85	407.42	5.17	-60.68
C[N@H+](CCO)CC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300029992397	1	52	0.0	-66.27	387.36	0.79	-65.48
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C[S+](C)CCC(O)C(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300029992456	0	54	0.0	-59.62	420.12	2.77	-56.85
CC1C[NH+](CC(=O)N2CCC3(NC(=O)C4=CC(=O)[N-]O4)CCCCC23)C1	REAL300029992496	1	52	0.0	-65.92	389.23	4.55	-61.37
CC[N@@H+]1CCCC(C(=O)N2CCC3(NC(=O)C4=CC(=O)[N-]O4)CCCCC23)C1	REAL300029992500	0	58	0.0	-56.71	412.81	5.58	-51.13
CC[N@H+]1CCCC(C(=O)N2CCC3(NC(=O)C4=CC(=O)[N-]O4)CCCCC23)C1	REAL300029992500	1	58	0.0	-58.59	410.42	5.68	-52.91
NC1=[NH+]C=CC=C1CC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300029992504	0	51	0.0	-60.10	393.33	3.22	-56.88
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C[NH+](C)CC1=CC=CC=C1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029994529	0	55	0.0	-66.13	429.03	6.01	-60.12
CC[N@@H+]1CCCCC1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029994533	0	55	0.0	-66.72	418.30	4.53	-62.19
CC[N@H+]1CCCCC1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029994533	1	55	0.0	-68.72	418.04	4.53	-64.19
C[NH+](C)C(C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=CC=C1	REAL300029994536	1	55	0.0	-73.81	433.69	5.80	-68.01
CC(C)C[N@@H+]1CCC(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029994553	0	58	0.0	-74.29	444.34	5.33	-68.96
CC(C)C[N@H+]1CCC(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029994553	1	58	0.0	-74.69	442.39	5.31	-69.38
C[NH+](C)C1(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCC1	REAL300029994557	0	52	0.0	-71.62	393.24	3.80	-67.82
CC(C)[N@@H+]1CCCC1CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029994559	0	58	0.0	-64.50	430.45	4.45	-60.05
CC(C)[N@H+]1CCCC1CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029994559	1	58	0.0	-70.78	437.89	5.01	-65.77
CC(C)[C@@H](C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029994574	0	54	0.0	-75.20	407.72	4.44	-70.76
C[N@H+](CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300029994623	0	52	0.0	-70.03	403.58	4.27	-65.76
C[N@@H+](CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300029994623	1	52	0.0	-75.30	404.64	4.24	-71.06
CC(C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1C(C)CCC1C	REAL300029994687	0	58	0.0	-67.73	420.20	4.35	-63.38
CN(CCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=[NH+]C=C1	REAL300029994743	0	54	0.0	-71.95	432.81	4.03	-67.92
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029994751	1	51	0.0	-70.01	405.52	4.08	-65.93
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029994751	1	51	0.0	-69.83	410.90	4.66	-65.17
C[N@@H+]1CCCC1CCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029994757	0	55	0.0	-70.66	425.39	4.76	-65.90
C[N@H+]1CCCC1CCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029994757	1	55	0.0	-72.70	420.47	4.39	-68.31
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C12CCC[NH+](CCC1)C2	REAL300029994768	0	56	0.0	-73.18	415.73	4.57	-68.61
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC2CCCC[N@@H+]21	REAL300029994775	0	56	0.0	-69.90	419.20	4.88	-65.02
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC2CCCC[N@H+]21	REAL300029994775	1	56	0.0	-67.29	419.61	4.80	-62.49
O=C(CCCC[NH+]1CCCC1)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029994795	0	58	0.0	-76.72	450.38	5.63	-71.09
C[N@H+](CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC1=CC=CC=C1	REAL300029994797	1	55	0.0	-76.92	434.99	5.98	-70.94
C[N@@H+](CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC1=CC=CC=C1	REAL300029994797	1	55	0.0	-75.99	434.19	5.88	-70.11
C[NH+]1CCC(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029994808	0	52	0.0	-77.11	402.92	4.04	-73.07
C[NH+](C)CC1=CC(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=NO1	REAL300029994849	1	51	0.0	-79.46	417.06	3.30	-76.16
CC1=C(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=CC2=C[NH+]=CN21	REAL300029994850	0	50	0.0	-77.72	411.36	6.06	-71.66
C[N@@H+]1CCCCC1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029994882	0	52	0.0	-68.68	391.02	3.76	-64.92
C[N@H+]1CCCCC1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029994882	1	52	0.0	-66.63	390.58	3.69	-62.94
CC(C)C[N@@H+]1CCCC1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029994905	0	58	0.0	-73.21	443.18	5.55	-67.66
CC(C)C[N@H+]1CCCC1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029994905	1	58	0.0	-69.47	442.53	5.53	-63.94
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CC1=[NH+]C=CN1CCCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029995019	1	53	0.0	-74.62	429.37	5.16	-69.46
C[NH+](C)CC1=CC=C(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=C1	REAL300029995024	0	55	0.0	-79.20	436.47	5.87	-73.33
O=C(CC[NH+]1CCOCC1)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029995025	1	53	0.0	-80.27	414.32	2.32	-77.95
CC1=C[NH+]=CN1CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029995056	1	47	0.0	-73.24	387.05	4.68	-68.56
O=C(CN1C=[NH+]C2=C1CCCC2)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029995062	1	54	0.0	-69.89	429.07	6.37	-63.52
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C12CCC[NH+]1CCC2	REAL300029995098	0	53	0.0	-78.22	403.62	4.29	-73.93
C[NH+](C)C1CCCC(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029995127	0	58	0.0	-72.41	437.16	5.21	-67.20
C[N@@H+]1CCC(CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029995130	0	52	0.0	-71.94	404.74	3.85	-68.09
C[N@H+]1CCC(CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029995130	1	52	0.0	-74.69	404.72	3.99	-70.70
CN(C)C1=CC=[NH+]C=C1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029995142	0	51	0.0	-86.18	409.14	3.05	-83.13
CCC(C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029995147	0	51	0.0	-73.83	388.64	3.26	-70.57
C[NH+](C)C1(CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCCC1	REAL300029995161	0	58	0.0	-71.20	421.78	4.69	-66.51
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C[NH+](C)CCCCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029995263	0	54	0.0	-78.11	424.41	4.45	-73.66
CC(C)C(C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029995283	0	54	0.0	-75.13	408.73	4.36	-70.77
CCC[N@H+](C)CCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029995285	0	54	0.0	-78.16	420.62	4.27	-73.89
CCC[N@@H+](C)CCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029995285	1	54	0.0	-74.62	419.93	4.34	-70.28
CCC[N@H+](C)CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029995291	0	51	0.0	-72.93	397.57	3.78	-69.15
CCC[N@@H+](C)CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029995291	1	51	0.0	-77.21	397.63	3.65	-73.56
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C12CC[N@H+](C1)CCC2	REAL300029995315	0	53	0.0	-72.88	400.36	3.59	-69.29
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C12CC[N@@H+](C1)CCC2	REAL300029995315	1	53	0.0	-73.32	400.14	3.52	-69.80
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029995355	0	49	0.0	-70.50	378.34	2.92	-67.58
C[N@H+]1CCC[C@@H]1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029995355	1	49	0.0	-73.89	383.41	3.32	-70.57
CCCCCC[N@H+](C)CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029995415	0	60	0.0	-73.19	461.21	6.04	-67.15
CCCCCC[N@@H+](C)CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029995415	1	60	0.0	-78.51	462.12	6.00	-72.51
CC[NH+](CC)C(C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C(C)C	REAL300029995420	0	60	0.0	-70.53	439.53	5.44	-65.09
CC[NH+](CC)CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029995429	0	51	0.0	-74.69	390.64	3.39	-71.30
CCC[N@@H+]1CCCC(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029995461	0	58	0.0	-71.94	442.29	5.39	-66.55
CCC[N@H+]1CCCC(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029995461	1	58	0.0	-68.05	435.85	5.58	-62.47
CC(C)[N@@H+]1CCOC(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029995478	1	56	0.0	-78.94	430.32	3.97	-74.97
CC(C)[N@H+]1CCOC(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029995478	1	56	0.0	-69.72	423.35	3.81	-65.91
CC1CC[NH+](CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029995510	0	55	0.0	-77.82	420.97	4.73	-73.09
C[NH+]1CCC(OCC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029995538	0	56	0.0	-83.76	438.35	4.34	-79.42
C[NH+](C)CC1(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029995552	0	52	0.0	-77.31	401.69	3.87	-73.44
CC1=[NH+]C=C2CCC(C(=O)NC3CCC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)CN21	REAL300029995553	1	54	0.0	-71.88	426.04	4.99	-66.89
CC(C)[NH+]1CCC(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029995628	0	58	0.0	-72.53	433.56	5.00	-67.53
C[NH+]1CCC(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029995649	0	52	0.0	-77.11	402.92	4.04	-73.07
CC(C)[C@H](C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029995667	0	54	0.0	-70.20	408.05	4.56	-65.64
CCC(C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](CC)CC	REAL300029995698	0	57	0.0	-70.80	424.66	4.62	-66.18
CC[N@H+](C)CCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029995760	0	51	0.0	-78.61	398.49	3.46	-75.15
CC[N@@H+](C)CCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029995760	1	51	0.0	-77.46	399.13	3.52	-73.94
CC1CCC[N@@H+]1CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029995816	0	52	0.0	-71.17	403.63	4.08	-67.09
CC1CCC[N@H+]1CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029995816	1	52	0.0	-65.83	396.60	3.64	-62.19
CC1CC[N@H+](CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029995818	0	52	0.0	-72.16	404.42	4.12	-68.04
CC1CC[N@@H+](CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029995818	1	52	0.0	-71.09	404.73	4.09	-67.00
CC1=[NH+]C=C2CC(C(=O)NC3CCC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)CCN21	REAL300029995820	1	54	0.0	-75.99	427.64	4.99	-71.00
CC1(C)CC[N@H+](CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029995823	0	55	0.0	-74.41	423.52	4.56	-69.85
CC1(C)CC[N@@H+](CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029995823	1	55	0.0	-75.54	424.00	4.55	-70.99
C[N@H+](CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC(C)(C)C	REAL300029995824	0	57	0.0	-72.73	426.17	4.79	-67.94
C[N@@H+](CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC(C)(C)C	REAL300029995824	1	57	0.0	-72.69	428.47	4.95	-67.74
CC[C@@H](C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029995833	0	51	0.0	-72.16	390.96	3.53	-68.63
C[NH+]1CCC(O)(CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029996012	0	56	0.0	-70.35	425.96	2.76	-67.59
C[NH+](C)CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996024	0	45	0.0	-76.65	359.05	2.31	-74.34
O=C(C[NH+]1CCC(CO)CC1)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996028	0	56	0.0	-76.06	432.14	1.56	-74.50
O=C(C[NH+]1CCCCCC1)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996030	0	55	0.0	-71.52	408.44	4.35	-67.17
CN1C=C[N+](CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300029996034	0	47	0.0	-70.36	389.57	5.89	-64.47
C[N@@H+]1CCCC(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029996041	0	52	0.0	-65.68	396.85	4.13	-61.55
C[N@H+]1CCCC(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029996041	1	52	0.0	-75.43	402.96	3.96	-71.47
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC[N@@H+]1C1CC1	REAL300029996046	0	53	0.0	-67.82	415.67	4.87	-62.95
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC[N@H+]1C1CC1	REAL300029996046	1	53	0.0	-66.82	405.33	4.02	-62.80
CC(C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCC1	REAL300029996075	1	49	0.0	-70.98	386.03	3.34	-67.64
CCC(CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300029996081	0	57	0.0	-80.87	433.99	4.92	-75.95
C[NH+](C)CC(C)(C)C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996088	0	54	0.0	-77.30	405.60	3.90	-73.40
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C12CC(C1)C[N@@H+]2C1CC1	REAL300029996106	0	54	0.0	-72.34	409.41	5.30	-67.04
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C12CC(C1)C[N@H+]2C1CC1	REAL300029996106	1	54	0.0	-70.35	422.87	5.07	-65.28
O=C(C[NH+]1CCC(O)CC1)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996117	1	53	0.0	-82.16	411.22	0.77	-81.39
C[N@H+](CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029996118	0	49	0.0	-73.58	388.30	3.72	-69.86
C[N@@H+](CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029996118	1	49	0.0	-73.95	388.43	3.72	-70.23
CC(C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)N1CC[NH+](C)CC1	REAL300029996119	1	57	0.0	-75.51	432.31	2.15	-73.36
C[NH+]1CC(CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029996138	0	49	0.0	-77.69	389.85	3.07	-74.62
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC[N@@H+]1C1CCCC1	REAL300029996142	0	56	0.0	-73.89	430.81	5.29	-68.60
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC[N@H+]1C1CCCC1	REAL300029996142	1	56	0.0	-73.60	428.89	5.08	-68.52
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996150	0	55	0.0	-68.91	402.40	3.87	-65.04
CC(C)(C)[N@H+]1CCC1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996150	1	55	0.0	-72.41	419.86	4.10	-68.31
C[C@@H](C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029996161	0	48	0.0	-72.12	376.51	2.78	-69.34
CCC1CCC[N@H+](CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029996203	0	58	0.0	-72.80	432.35	5.47	-67.33
CCC1CCC[N@@H+](CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029996203	1	58	0.0	-72.35	439.53	5.49	-66.86
C[NH+](C)CC1=CC=C(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)N1	REAL300029996211	0	53	0.0	-89.34	425.26	3.42	-85.92
[NH2+]=C1SC=CN1CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996256	0	45	0.0	-73.49	385.47	2.43	-71.06
C[N@H+](CCO)CCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996266	0	52	0.0	-73.54	408.79	0.37	-73.17
C[N@@H+](CCO)CCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996266	1	52	0.0	-78.00	408.82	0.22	-77.78
C[C@@H](C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029996267	0	48	0.0	-72.12	376.51	2.78	-69.34
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996271	0	52	0.0	-73.95	391.69	3.73	-70.22
C[N@H+]1CCCC[C@@H]1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996271	1	52	0.0	-71.88	400.54	3.98	-67.90
CC1CN2CC[N@@H+]1CC2C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996280	0	55	0.0	-78.23	411.32	1.35	-76.88
CC1CN2CC[N@H+]1CC2C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996280	1	55	0.0	-79.15	409.64	1.28	-77.87
O=C(CC1=CC2=C[NH+]=CN2C=C1)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996326	0	50	0.0	-72.72	412.74	6.55	-66.17
C[N@H+](CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCSC1	REAL300029996351	0	53	0.0	-82.50	417.89	4.48	-78.02
C[N@@H+](CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCSC1	REAL300029996351	1	53	0.0	-77.99	419.16	4.59	-73.40
O=C(C[NH+]1CCC1)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996352	1	46	0.0	-76.48	369.35	2.79	-73.69
C[NH+](C)CC1=CC(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC=N1	REAL300029996382	1	54	0.0	-76.44	433.19	4.34	-72.10
C[N@@H+]1CCC(=CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029996384	0	50	0.0	-73.61	396.79	3.80	-69.81
C[N@H+]1CCC(=CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029996384	1	50	0.0	-77.40	397.74	3.87	-73.53
C[NH+](C)CCOCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996418	0	52	0.0	-76.14	414.92	3.36	-72.78
CCCCC[N@H+](C)CCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996424	0	60	0.0	-80.39	462.99	5.77	-74.62
CCCCC[N@@H+](C)CCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996424	1	60	0.0	-79.17	463.62	5.82	-73.35
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029996433	0	56	0.0	-73.21	437.38	4.25	-68.96
C=CCC(C)(C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029996440	0	55	0.0	-81.79	413.76	4.55	-77.24
C[S+](C)CCC(O)C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996445	0	51	0.0	-83.97	423.25	1.90	-82.07
C[N@@H+]1CC(O)CC1(C)C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996472	0	53	0.0	-77.15	406.13	0.64	-76.51
CN1CC[N@H+](C)CC(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029996484	0	57	0.0	-72.64	427.45	1.95	-70.69
CN1CC[N@@H+](C)CC(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029996484	1	57	0.0	-72.64	427.45	1.95	-70.69
CC(C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[N@@H+]1CCCC(O)C1	REAL300029996485	0	56	0.0	-74.51	428.03	1.42	-73.09
C[N@@H+]1CCCC(O)(CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029996504	0	56	0.0	-73.62	416.63	2.58	-71.04
C[N@H+]1CCCC(O)(CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029996504	1	56	0.0	-73.62	416.63	2.58	-71.04
CC1CN(CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029996507	0	49	0.0	-76.80	389.61	3.47	-73.33
CC1C[NH+](CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029996507	1	49	0.0	-76.80	389.61	3.47	-73.33
CN(CCO)CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996534	0	49	0.0	-73.89	386.41	-0.20	-74.09
C[N@H+](CCO)CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996534	1	49	0.0	-72.47	385.35	-0.27	-72.74
C[N@@H+](CCO)CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996534	1	49	0.0	-72.47	385.35	-0.27	-72.74
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1C[N@@H+]2CCN1CCC2	REAL300029996557	0	55	0.0	-78.88	407.00	1.64	-77.24
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1C[N@H+]2CCN1CCC2	REAL300029996557	1	55	0.0	-78.88	407.00	1.64	-77.24
CC[N@@H+]1CCCC(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029996563	0	55	0.0	-67.71	414.34	4.85	-62.86
CC[N@H+]1CCCC(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029996563	1	55	0.0	-67.71	414.34	4.85	-62.86
CC(CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300029996565	0	54	0.0	-77.59	416.24	4.31	-73.28
CC[N@H+](C)CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996578	0	48	0.0	-70.77	376.14	2.97	-67.80
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C12CCC[N@@H+]1CCCC2	REAL300029996606	0	56	0.0	-67.55	413.19	4.83	-62.72
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C12CCC[N@H+]1CCCC2	REAL300029996606	1	56	0.0	-67.55	413.19	4.83	-62.72
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C12CCC[N@@H+]1CC=CC2	REAL300029996613	0	54	0.0	-72.77	404.90	4.98	-67.79
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C12CCC[N@H+]1CC=CC2	REAL300029996613	1	54	0.0	-72.77	404.90	4.98	-67.79
CC[N@H+](CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300029996634	0	52	0.0	-74.40	404.76	4.22	-70.18
CC[NH+](CC)CCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996652	0	54	0.0	-76.54	417.00	4.24	-72.30
CC1(C)CN(CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029996677	0	52	0.0	-72.91	408.90	4.00	-68.91
CC1(C)C[NH+](CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029996677	1	52	0.0	-72.91	408.90	4.00	-68.91
CC1(O)CC[N@H+](CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029996705	0	53	0.0	-70.88	414.84	0.73	-70.15
C[NH+](C)CC=CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996712	0	49	0.0	-81.24	394.37	3.45	-77.79
CC(OCC[NH+](C)C)C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996734	0	55	0.0	-74.74	434.05	3.99	-70.75
C[NH+](C)CCOCCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996743	0	55	0.0	-75.85	435.88	3.11	-72.74
COCCN(C)CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996744	0	52	0.0	-72.39	407.60	2.13	-70.26
COCC[N@H+](C)CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996744	1	52	0.0	-78.16	408.74	2.08	-76.08
COCC[N@@H+](C)CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996744	1	52	0.0	-78.16	408.74	2.08	-76.08
C[NH+](C)C1(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCCC1	REAL300029996780	0	55	0.0	-78.61	411.47	4.74	-73.87
CC(CCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029996783	0	54	0.0	-79.69	412.39	4.05	-75.64
CCN1CCC1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996792	0	49	0.0	-70.18	382.89	3.03	-67.15
CC[N@@H+]1CCC1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996792	1	49	0.0	-75.91	389.69	3.33	-72.58
CC[N@H+]1CCC1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996792	1	49	0.0	-75.91	389.69	3.33	-72.58
CC(C)[N@@H+]1CCCC(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029996802	0	58	0.0	-66.14	431.53	5.32	-60.82
CC(C)[N@H+]1CCCC(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029996802	1	58	0.0	-66.14	431.53	5.32	-60.82
O=C(C[N@H+]1CCCC1CO)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996815	0	53	0.0	-70.97	408.45	0.38	-70.59
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC2CCCC[N@@H+]2C1	REAL300029996837	0	56	0.0	-80.26	425.90	4.93	-75.33
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC2CCCC[N@H+]2C1	REAL300029996837	1	56	0.0	-80.26	425.90	4.93	-75.33
C[NH+]1CCC(C)(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029996843	0	55	0.0	-75.82	416.30	4.39	-71.43
C[NH+](C)CC1=CNC(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300029996849	0	53	0.0	-78.91	424.62	3.61	-75.30
CC(C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCC(O)CC1	REAL300029996865	0	56	0.0	-76.01	422.41	1.13	-74.88
C=CCC(C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029996873	0	52	0.0	-76.18	405.02	3.92	-72.26
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996886	0	55	0.0	-71.63	424.22	4.49	-67.14
C[N@H+]1CC(C)(C)CC1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996886	1	55	0.0	-66.63	418.31	3.89	-62.74
C[NH+](C)CCCCCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996890	0	57	0.0	-77.34	445.91	5.23	-72.11
O=C(C[NH+]1CC2CC2C1)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996898	0	50	0.0	-77.49	393.74	4.13	-73.36
CC1C[N@@H+]2CCN1C(C(=O)NC1CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029996925	0	55	0.0	-72.32	410.99	1.29	-71.03
CC1C[N@H+]2CCN1C(C(=O)NC1CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029996925	1	55	0.0	-75.58	411.18	1.44	-74.14
CCCC(C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300029996926	0	54	0.0	-76.41	413.52	4.18	-72.23
C[NH+](C)C(C)(C)C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996930	0	51	0.0	-81.94	385.86	3.38	-78.56
C[N@@H+]1CCCCC1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996972	0	52	0.0	-68.68	391.02	3.76	-64.92
C[N@H+]1CCCCC1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029996972	1	52	0.0	-66.63	390.58	3.69	-62.94
C[N@H+]1CC=C(CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029997012	0	53	0.0	-71.90	417.51	4.65	-67.25
C[N@@H+]1CC=C(CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029997012	1	53	0.0	-71.50	417.46	4.71	-66.79
O=C(CC1([NH+]2CCCC2)CC1)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029997021	0	56	0.0	-70.86	423.37	5.03	-65.83
C[NH+](C)CC1=CC=C(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029997070	1	52	0.0	-76.73	421.81	4.08	-72.65
C[NH+](C)CC1=CC=C(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=N1	REAL300029997075	0	54	0.0	-83.29	432.33	4.28	-79.01
O=C(C=CC[NH+]1CCCC1)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029997087	0	53	0.0	-78.60	421.34	4.72	-73.88
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC[NH+](C2CC2)CC1	REAL300029997111	0	56	0.0	-79.27	427.81	5.12	-74.15
C[NH+](C)C1(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029997132	0	49	0.0	-80.44	385.12	2.90	-77.54
O=C(CC[NH+]1CCCC1)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029997134	0	52	0.0	-78.11	406.72	3.98	-74.13
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1C[NH+]2CCN1CC2	REAL300029997172	0	52	0.0	-83.71	395.35	0.78	-82.93
C[N@@H+]1CC2CC1(C(=O)NC1CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029997182	0	50	0.0	-72.62	390.76	3.52	-69.10
C[N@H+]1CC2CC1(C(=O)NC1CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029997182	1	50	0.0	-74.03	388.52	3.68	-70.35
O=C(C[N@@H+]1CC2CCC1C2)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029997196	0	53	0.0	-70.74	404.91	4.48	-66.26
O=C(C[N@H+]1CC2CCC1C2)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029997196	1	53	0.0	-74.26	405.51	4.40	-69.86
O=C(C=C1C[NH+]2CCC1CC2)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029997237	0	54	0.0	-71.74	414.79	4.67	-67.07
O=C(C[N@@H+]1CC2C=CC1C2)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029997247	1	51	0.0	-70.92	397.99	4.38	-66.54
O=C(C[N@H+]1CC2C=CC1C2)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029997247	1	51	0.0	-70.43	397.78	4.37	-66.06
CC[NH+]1CCN(CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029997279	0	57	0.0	-74.29	435.09	2.55	-71.74
CC(C[NH+](C)C)C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029997299	0	51	0.0	-77.12	397.46	3.60	-73.52
C[N@@H+]1CCCCC1CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029997377	0	55	0.0	-67.70	410.32	4.43	-63.27
C[N@H+]1CCCCC1CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029997377	1	55	0.0	-74.92	417.59	4.56	-70.36
CC1=C2C=C(C(=O)NC3CCC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C=CN2C=[NH+]1	REAL300029997393	1	50	0.0	-75.28	410.68	6.45	-68.83
CC(C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CC(C)C1	REAL300029997394	1	52	0.0	-66.68	405.47	3.99	-62.69
CC1CC[N@@H+]1CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029997397	1	49	0.0	-70.61	384.12	3.19	-67.42
CC1CC[N@H+]1CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029997397	1	49	0.0	-74.95	390.35	3.39	-71.56
C[NH+](C)CC(O)CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029997402	0	52	0.0	-80.69	411.67	1.34	-79.35
CC1C[N@H+](C)CC(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029997430	1	53	0.0	-84.33	416.91	3.53	-80.80
CC1C[N@@H+](C)CC(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300029997430	1	53	0.0	-81.16	417.10	3.55	-77.61
O=C(CC[NH+]1CCC(O)CC1)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029997439	0	56	0.0	-77.12	432.96	1.44	-75.68
CCC[N@@H+]1CCCCC1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029997441	0	58	0.0	-69.36	439.85	5.37	-63.99
CCC[N@H+]1CCCCC1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029997441	1	58	0.0	-68.02	439.61	5.39	-62.63
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029997520	0	52	0.0	-74.75	408.11	4.10	-70.65
CC(CC[NH+](C)C)C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029997528	0	54	0.0	-76.96	419.08	4.18	-72.78
C[N@H+](CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[C@@H]1CCC[C@H]1O	REAL300029997549	0	56	0.0	-69.67	428.42	1.68	-67.99
C[N@@H+](CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[C@@H]1CCC[C@H]1O	REAL300029997549	1	56	0.0	-75.58	429.33	1.59	-73.99
C#CC[N@H+]1CCCCC1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029997558	1	54	0.0	-68.61	425.62	5.19	-63.42
C#CC[N@@H+]1CCCCC1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029997558	1	54	0.0	-69.04	416.39	5.00	-64.04
C[NH+]1CCN(CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029997561	1	54	0.0	-75.40	417.35	1.86	-73.54
CC[NH+]1CCN(CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029997570	0	57	0.0	-74.29	435.09	2.55	-71.74
NC(=[NH2+])SCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029997596	0	43	0.0	-78.14	367.58	-0.82	-78.96
CC[N@@H+]1CCOCC1CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029997633	0	56	0.0	-79.64	426.79	2.80	-76.84
C[NH+](C)C1CCC(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029997649	0	58	0.0	-77.19	436.31	5.15	-72.04
C[NH+](C)CCC1(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029997650	0	55	0.0	-82.15	433.06	4.79	-77.36
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300029997652	0	58	0.0	-74.48	430.69	5.07	-69.41
C[N@@H+]1CC=CCC1CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029997653	0	53	0.0	-71.16	404.52	4.37	-66.79
C[N@H+]1CC=CCC1CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029997653	1	53	0.0	-71.16	404.52	4.37	-66.79
C[C@@H](OCC[NH+](C)C)C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029997676	0	55	0.0	-71.46	433.93	4.04	-67.42
C[NH+]1C2CCC1CC(C(=O)NC1CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300029997704	0	56	0.0	-75.76	401.85	4.72	-71.04
CC(C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCSCC1	REAL300029997814	1	53	0.0	-74.11	413.70	4.22	-69.89
CCC1C[NH+](CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029997816	1	52	0.0	-77.50	411.00	4.23	-73.27
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1([NH+]2CCCC2)CCC1	REAL300029997818	0	56	0.0	-70.47	421.27	5.01	-65.46
C[N@H+]1CCC[C@H]1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029997827	1	49	0.0	-76.50	378.39	2.80	-73.70
O=C(CC[N@@H+]1CCC(F)C1)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029997834	1	52	0.0	-76.35	412.60	4.05	-72.30
COC1C[N@@H+](C)C(C)(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300029997842	1	56	0.0	-72.40	428.18	3.02	-69.38
O=C(CC[NH+]1CCCCCC1)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029997851	0	58	0.0	-80.04	432.41	4.87	-75.17
O=C(C[NH+]1CCCCC1)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029997853	0	52	0.0	-71.32	399.20	4.18	-67.14
CC1C(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300029997863	0	52	0.0	-72.65	399.56	3.60	-69.05
CC1C(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300029997863	1	52	0.0	-74.80	404.42	3.97	-70.83
C[N@@H+]1CCCCC1CCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029997865	0	58	0.0	-78.62	432.40	5.07	-73.55
C[N@H+]1CCCCC1CCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029997865	1	58	0.0	-76.20	432.52	5.10	-71.10
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC[N@@H+]2CCOCC12	REAL300029997895	0	54	0.0	-74.41	413.28	2.66	-71.75
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC[N@H+]2CCOCC12	REAL300029997895	1	54	0.0	-73.75	413.79	2.71	-71.04
CC1=[NH+]C=C2C=CC(C(=O)NC3CCC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)=CN21	REAL300029997900	0	50	0.0	-73.25	410.60	5.60	-67.65
C[N@@H+]1CCOCC1CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029997917	1	53	0.0	-71.66	401.48	2.05	-69.61
C[N@H+]1CCOCC1CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029997917	1	53	0.0	-68.07	401.68	2.04	-66.03
CC1=C(C)[NH+]=C(CCC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)N1	REAL300029997925	1	53	0.0	-68.30	428.57	3.67	-64.63
C[N@@H+]1CCCC1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029998097	0	49	0.0	-69.85	379.37	2.86	-66.99
C[N@H+]1CCCC1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029998097	1	49	0.0	-71.22	379.54	2.97	-68.25
C[N@@H+]1CCOC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029998123	1	50	0.0	-86.79	393.95	2.77	-84.02
C[N@H+]1CCOC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029998123	1	50	0.0	-77.20	386.17	2.57	-74.63
CC1=[NH+]C=CN1CCCC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029998285	1	53	0.0	-72.39	431.90	5.32	-67.07
C[NH+](C)CC1=CC=C(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C=C1	REAL300029998290	0	55	0.0	-80.10	433.85	5.43	-74.67
O=C(CC[NH+]1CCOCC1)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029998291	1	53	0.0	-78.56	416.19	2.43	-76.13
O=C(NC1CCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1)C1=CC(=O)[N-]O1	REAL300029998316	0	53	0.0	-68.07	400.19	4.04	-64.03
O=C(NC1CCC2(CN(C(=O)C3=CC4=C[NH+]=CN4C=C3)C2)C1)C1=CC(=O)[N-]O1	REAL300029998326	1	47	0.0	-74.66	386.34	5.56	-69.10
C[NH+](C)C1CCCC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029998386	0	58	0.0	-73.77	440.13	5.14	-68.63
C[N@@H+]1CCC(CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029998389	0	52	0.0	-72.16	406.75	4.09	-68.07
C[N@H+]1CCC(CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029998389	1	52	0.0	-76.62	406.97	4.07	-72.55
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029998401	0	51	0.0	-79.63	406.85	2.80	-76.83
CCC(C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029998406	0	51	0.0	-70.68	390.01	3.39	-67.29
C[NH+](C)CCCCC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029998473	0	54	0.0	-72.37	425.68	4.64	-67.73
CC(C)C(C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029998495	0	54	0.0	-72.74	405.06	4.11	-68.63
CCC[N@H+](C)CCC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029998497	0	54	0.0	-76.63	422.53	4.39	-72.24
CCC[N@@H+](C)CCC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029998497	1	54	0.0	-76.62	422.52	4.39	-72.23
CCC[N@H+](C)CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029998503	0	51	0.0	-70.75	399.05	3.79	-66.96
CCC[N@@H+](C)CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029998503	1	51	0.0	-70.87	399.06	3.79	-67.08
O=C(NC1CCC2(CN(C(=O)C34CC[N@H+](C3)CCC4)C2)C1)C1=CC(=O)[N-]O1	REAL300029998527	0	53	0.0	-81.81	397.11	3.43	-78.38
O=C(NC1CCC2(CN(C(=O)C34CC[N@@H+](C3)CCC4)C2)C1)C1=CC(=O)[N-]O1	REAL300029998527	1	53	0.0	-73.52	397.17	3.36	-70.16
CCCCCC[N@H+](C)CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029998563	0	60	0.0	-71.87	463.56	6.14	-65.73
CCCCCC[N@@H+](C)CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029998563	1	60	0.0	-72.11	463.55	6.14	-65.97
CC[NH+](CC)C(C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)C(C)C	REAL300029998568	0	60	0.0	-71.09	435.64	5.64	-65.45
CC1CC[NH+](CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029998601	0	55	0.0	-69.01	423.29	4.97	-64.04
C[NH+]1CCC(OCC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029998629	0	56	0.0	-76.17	440.23	4.64	-71.53
O=C(NC1CCC2(CN(C(=O)C3CC4CCCC[N@@H+]4C3)C2)C1)C1=CC(=O)[N-]O1	REAL300029998674	0	56	0.0	-73.15	427.06	5.01	-68.14
O=C(NC1CCC2(CN(C(=O)C3CC4CCCC[N@H+]4C3)C2)C1)C1=CC(=O)[N-]O1	REAL300029998674	1	56	0.0	-70.66	427.02	5.12	-65.54
C[NH+](C)CC1(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029998685	0	52	0.0	-76.48	411.58	4.25	-72.23
CC1=[NH+]C=C2CCC(C(=O)N3CC4(C3)CCC(NC(=O)C3=CC(=O)[N-]O3)C4)CN21	REAL300029998686	1	54	0.0	-68.17	425.27	4.97	-63.20
CC(C)[NH+]1CCC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029998697	0	58	0.0	-72.40	430.53	4.79	-67.61
CC[N@H+](C)CCC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029998722	0	51	0.0	-75.93	401.03	3.65	-72.28
CC[N@@H+](C)CCC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029998722	1	51	0.0	-75.89	401.02	3.65	-72.24
CC(C)(C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCC1	REAL300029998748	0	58	0.0	-71.41	424.64	5.35	-66.06
O=C(NC1CCC2(CN(C(=O)C3C[NH+]4CCC3CC4)C2)C1)C1=CC(=O)[N-]O1	REAL300029998758	0	53	0.0	-81.67	400.14	4.14	-77.53
C[NH+]1CCC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029998838	0	52	0.0	-77.22	401.96	3.89	-73.33
CC(C)[C@H](C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029998856	0	54	0.0	-71.78	404.57	3.89	-67.89
CC[NH+](CC)CC(F)C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029998951	0	54	0.0	-71.57	416.77	4.06	-67.51
CC(C)C[N@@H+]1CCC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029998986	0	58	0.0	-69.25	444.06	5.44	-63.81
CC(C)C[N@H+]1CCC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029998986	1	58	0.0	-74.30	444.75	5.36	-68.94
C[NH+](C)C1(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)CCC1	REAL300029998990	0	52	0.0	-76.74	390.70	3.70	-73.04
CCC(C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](CC)CC	REAL300029999021	0	57	0.0	-67.54	425.27	4.65	-62.89
CC1CCC[N@@H+]1CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029999041	0	52	0.0	-69.35	399.52	3.80	-65.55
CC1CCC[N@H+]1CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029999041	1	52	0.0	-70.44	405.52	4.20	-66.24
CC(C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCCC1	REAL300029999111	0	58	0.0	-67.23	429.32	4.78	-62.45
CC(C)[N@@H+]1CCCCC1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029999113	0	58	0.0	-65.96	432.66	4.89	-61.07
CC(C)[N@H+]1CCCCC1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029999113	1	58	0.0	-67.71	433.43	4.88	-62.83
CC(C)[N@@H+]1CCCC1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029999134	0	55	0.0	-67.95	408.53	4.60	-63.35
CC(C)[N@H+]1CCCC1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029999134	1	55	0.0	-68.87	411.68	4.94	-63.93
CC(C)[N@@H+]1CCCC1CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029999140	0	58	0.0	-64.74	431.85	4.62	-60.12
CC(C)[N@H+]1CCCC1CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029999140	1	58	0.0	-67.76	430.86	4.58	-63.18
CC(C)[C@@H](C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029999155	0	54	0.0	-69.93	399.28	4.05	-65.88
CC1CC[N@H+](CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029999176	0	52	0.0	-69.79	406.45	4.01	-65.78
CC1CC[N@@H+](CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029999176	1	52	0.0	-72.06	405.50	4.10	-67.96
CC1=[NH+]C=C2CC(C(=O)N3CC4(C3)CCC(NC(=O)C3=CC(=O)[N-]O3)C4)CCN21	REAL300029999178	1	54	0.0	-70.49	426.70	4.96	-65.53
CC1(C)CC[N@H+](CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029999181	0	55	0.0	-67.93	425.34	4.72	-63.21
CC1(C)CC[N@@H+](CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029999181	1	55	0.0	-71.96	425.78	4.67	-67.29
C[N@H+](CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300029999182	0	57	0.0	-70.51	427.66	4.78	-65.73
C[N@@H+](CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300029999182	1	57	0.0	-70.50	429.62	4.95	-65.55
CC[C@@H](C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300029999191	0	51	0.0	-70.14	391.56	3.50	-66.64
CN(CCC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)C1=CC=[NH+]C=C1	REAL300029999318	0	54	0.0	-71.86	435.65	4.09	-67.77
CC1=[NH+]C=CN1CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029999402	1	47	0.0	-67.69	388.24	3.97	-63.72
CC(C[NH+]1CCOCC1)C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029999404	0	56	0.0	-71.62	428.98	2.99	-68.63
O=C(CCC[NH+]1CCCCC1)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029999421	0	58	0.0	-75.45	446.42	5.66	-69.79
C[NH+](C)CC1=CC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)=NO1	REAL300029999439	1	51	0.0	-77.91	415.95	3.38	-74.53
CC1=C(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C=CC2=C[NH+]=CN21	REAL300029999440	0	50	0.0	-76.21	411.81	5.98	-70.23
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029999475	1	53	0.0	-66.26	425.63	5.12	-61.14
O=C(NC1CCC2(CN(C(=O)C3CCCC4CCC[N@@H+]43)C2)C1)C1=CC(=O)[N-]O1	REAL300029999511	0	56	0.0	-65.15	413.92	4.72	-60.43
O=C(NC1CCC2(CN(C(=O)C3CCCC4CCC[N@H+]43)C2)C1)C1=CC(=O)[N-]O1	REAL300029999511	1	56	0.0	-66.32	413.04	4.62	-61.70
CC[N@@H+]1CCOC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029999533	1	53	0.0	-74.48	403.92	3.26	-71.22
CC[N@H+]1CCOC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300029999533	1	53	0.0	-73.03	404.11	3.17	-69.86
O=C(NC1CCC2(CN(C(=O)C3=CN4C=[NH+]C=C4C=C3)C2)C1)C1=CC(=O)[N-]O1	REAL300029999586	0	47	0.0	-73.13	385.67	5.44	-67.69
CC1=C[NH+]=CN1CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029999591	1	47	0.0	-71.26	388.53	4.68	-66.58
C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029999607	0	52	0.0	-75.87	396.35	3.37	-72.50
C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029999607	1	52	0.0	-75.44	401.68	4.02	-71.42
CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300029999612	0	55	0.0	-76.32	415.52	4.02	-72.30
CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300029999612	1	55	0.0	-71.89	417.80	4.55	-67.34
CC1CCC(C)[NH+]1CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029999625	0	55	0.0	-69.84	418.09	4.43	-65.41
O=C(CCC[NH+]1CCCC1)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029999631	0	55	0.0	-75.23	430.75	4.95	-70.28
C[NH+](C)CC1=CC=CC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029999632	0	55	0.0	-75.08	434.43	5.43	-69.65
C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029999638	0	54	0.0	-76.30	424.53	4.97	-71.33
O=C(CC[NH+]1CCCCC1)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029999639	0	55	0.0	-75.29	424.48	4.82	-70.47
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029999643	0	55	0.0	-62.75	425.90	5.77	-56.98
CC[N@@H+]1CCCCC1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029999647	0	55	0.0	-64.73	419.39	4.69	-60.04
CC[N@H+]1CCCCC1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029999647	1	55	0.0	-65.05	419.82	4.70	-60.35
C[NH+](C)C(C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300029999650	1	55	0.0	-71.45	431.44	5.74	-65.71
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029999655	1	54	0.0	-70.50	431.66	6.49	-64.01
C[NH+](C)C1(CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300029999691	0	58	0.0	-75.63	424.18	4.92	-70.71
C[N@H+](CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300029999856	0	52	0.0	-69.67	406.14	4.41	-65.26
C[N@@H+](CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300029999856	1	52	0.0	-69.07	406.01	4.37	-64.70
CC(C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1C(C)CCC1C	REAL300029999881	0	58	0.0	-67.44	430.90	4.58	-62.86
O=C(CCCC[NH+]1CCCC1)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029999894	0	58	0.0	-76.22	451.51	5.68	-70.54
C[N@H+](CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300029999896	1	55	0.0	-74.81	436.49	5.97	-68.84
C[N@@H+](CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300029999896	1	55	0.0	-75.04	436.54	5.98	-69.06
C[NH+]1CCC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300029999907	0	52	0.0	-77.22	401.96	3.89	-73.33
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029999952	0	49	0.0	-72.22	379.25	2.91	-69.31
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029999952	1	49	0.0	-66.60	383.89	3.44	-63.16
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029999976	1	51	0.0	-69.58	406.17	4.18	-65.40
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029999976	1	51	0.0	-68.56	409.02	4.48	-64.08
C[N@@H+]1CCCC1CCC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029999982	0	55	0.0	-73.90	422.83	4.46	-69.44
C[N@H+]1CCCC1CCC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029999982	1	55	0.0	-71.30	421.78	4.42	-66.88
O=C(NC1CCC2(CN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1)C1=CC(=O)[N-]O1	REAL300029999993	0	56	0.0	-81.30	409.78	4.19	-77.11
O=C(NC1CCC2(CN(C(=O)C3CCC4CCCC[N@@H+]43)C2)C1)C1=CC(=O)[N-]O1	REAL300030000000	0	56	0.0	-65.12	420.32	4.92	-60.20
O=C(NC1CCC2(CN(C(=O)C3CCC4CCCC[N@H+]43)C2)C1)C1=CC(=O)[N-]O1	REAL300030000000	1	56	0.0	-63.87	427.37	5.37	-58.50
CCC[N@@H+]1CCCC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030000073	0	58	0.0	-74.09	442.32	5.24	-68.85
CCC[N@H+]1CCCC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030000073	1	58	0.0	-67.24	435.30	5.42	-61.82
CC(C)[N@@H+]1CCOC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030000090	0	56	0.0	-75.92	422.87	3.75	-72.17
CC(C)[N@H+]1CCOC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030000090	1	56	0.0	-74.54	428.13	3.90	-70.64
C[N@@H+]1CCCCC1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030000121	0	52	0.0	-65.95	401.59	4.06	-61.89
C[N@H+]1CCCCC1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030000121	1	52	0.0	-66.85	401.29	3.96	-62.89
CC(C)C[N@@H+]1CCCC1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030000145	0	58	0.0	-70.46	442.95	5.46	-65.00
CC(C)C[N@H+]1CCCC1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030000145	1	58	0.0	-69.75	442.65	5.57	-64.18
O=C(C[NH+]1CCC(CO)CC1)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030000160	0	56	0.0	-74.96	434.71	1.58	-73.38
CC1C(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030000206	0	52	0.0	-71.69	398.37	3.51	-68.18
CC1C(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030000206	1	52	0.0	-73.09	397.39	3.70	-69.39
C[N@@H+]1CCCCC1CCC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030000208	0	58	0.0	-73.43	433.77	5.11	-68.32
C[N@H+]1CCCCC1CCC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030000208	1	58	0.0	-74.97	434.26	5.11	-69.86
NC1=[NH+]C2=C(C=C1C(=O)N1CC3(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C3)CCC2	REAL300030000240	1	52	0.0	-63.56	413.88	3.23	-60.33
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030000304	0	55	0.0	-68.72	421.81	4.19	-64.53
CC(C)(C)[N@H+]1CCC1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030000304	1	55	0.0	-69.54	403.31	3.45	-66.09
C[C@@H](C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030000323	0	48	0.0	-72.61	378.62	2.81	-69.80
C[NH+](C)CC1=CC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)=CC=N1	REAL300030000337	1	54	0.0	-72.88	430.35	3.59	-69.29
C=CCC(C)(C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030000341	0	55	0.0	-78.09	406.32	4.38	-73.71
O=C(CC[NH+]1CCCC1)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030000366	0	52	0.0	-75.35	409.25	4.15	-71.20
C[N@H+](CCO)CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030000376	1	49	0.0	-71.84	387.92	-0.19	-72.03
C[N@@H+](CCO)CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030000376	1	49	0.0	-70.88	387.66	-0.17	-71.05
O=C(NC1CCC2(CN(C(=O)C3C[N@@H+]4CCN3CCC4)C2)C1)C1=CC(=O)[N-]O1	REAL300030000414	0	55	0.0	-80.22	408.22	1.71	-78.51
O=C(NC1CCC2(CN(C(=O)C3C[N@H+]4CCN3CCC4)C2)C1)C1=CC(=O)[N-]O1	REAL300030000414	1	55	0.0	-80.27	405.78	2.01	-78.26
CC(C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCSCC1	REAL300030000436	1	53	0.0	-69.55	413.47	4.21	-65.34
C[N@H+]1CC=C(CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030000476	0	53	0.0	-72.38	419.65	4.81	-67.57
C[N@@H+]1CC=C(CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030000476	1	53	0.0	-70.67	419.66	4.81	-65.86
C[S+](C)CCC(O)C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030000491	0	51	0.0	-72.88	420.81	1.97	-70.91
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030000510	0	53	0.0	-73.46	401.07	0.26	-73.20
C[N@H+]1CC(O)CC1(C)C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030000510	1	53	0.0	-80.17	400.96	0.36	-79.81
CN1CC[N@H+](C)CC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030000523	0	57	0.0	-71.60	427.83	2.34	-69.26
CN1CC[N@@H+](C)CC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030000523	1	57	0.0	-73.86	433.82	2.09	-71.77
CC(C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)[N@@H+]1CCCC(O)C1	REAL300030000524	0	56	0.0	-69.06	428.80	1.48	-67.58
CC(C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)[N@H+]1CCCC(O)C1	REAL300030000524	1	56	0.0	-72.31	430.70	1.34	-70.97
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030000551	0	52	0.0	-69.11	420.85	3.17	-65.94
C[N@@H+]1CCCC(O)(CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030000557	0	56	0.0	-67.78	420.93	2.56	-65.22
C[N@H+]1CCCC(O)(CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030000557	1	56	0.0	-69.82	418.60	2.73	-67.09
CC1C[NH+](CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030000562	1	49	0.0	-71.60	391.61	3.58	-68.02
CC[N@@H+]1CCCC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030000569	0	55	0.0	-77.30	414.12	4.49	-72.81
CC[N@H+]1CCCC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030000569	1	55	0.0	-73.47	419.97	4.52	-68.95
NC1=[NH+]C=CC=C1CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030000575	0	48	0.0	-67.26	394.08	2.20	-65.06
O=C(NC1CCC2(CN(C(=O)C3CCC[N@@H+]3C3CC3)C2)C1)C1=CC(=O)[N-]O1	REAL300030000588	0	53	0.0	-66.96	410.52	4.38	-62.58
O=C(NC1CCC2(CN(C(=O)C3CCC[N@H+]3C3CC3)C2)C1)C1=CC(=O)[N-]O1	REAL300030000588	1	53	0.0	-67.91	412.09	4.79	-63.12
O=C(C=CC[NH+]1CCCC1)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030000631	0	53	0.0	-77.96	421.36	4.69	-73.27
O=C(NC1CCC2(CN(C(=O)C3CC[NH+](C4CC4)CC3)C2)C1)C1=CC(=O)[N-]O1	REAL300030000654	0	56	0.0	-72.39	429.15	5.23	-67.16
CC[N@H+](C)CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030000701	0	48	0.0	-70.54	377.56	3.06	-67.48
O=C(CN1CC2C=CC1C2)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030000761	0	51	0.0	-66.93	399.61	4.45	-62.48
O=C(C[N@@H+]1CC2C=CC1C2)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030000761	1	51	0.0	-65.56	399.49	4.35	-61.21
O=C(C[N@H+]1CC2C=CC1C2)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030000761	1	51	0.0	-65.56	399.49	4.35	-61.21
CC1=CC=C(NCCC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)N=C1	REAL300030000783	0	54	0.0	-65.90	439.18	3.90	-62.00
CC1=CC=C(NCCC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)[NH+]=C1	REAL300030000783	1	54	0.0	-65.90	439.18	3.90	-62.00
O=C(NC1CCC2(CN(C(=O)C34CCC[N@@H+]3CCCC4)C2)C1)C1=CC(=O)[N-]O1	REAL300030000889	0	56	0.0	-63.74	408.79	4.43	-59.31
O=C(NC1CCC2(CN(C(=O)C34CCC[N@H+]3CCCC4)C2)C1)C1=CC(=O)[N-]O1	REAL300030000889	1	56	0.0	-68.45	412.95	4.70	-63.75
O=C(NC1CCC2(CN(C(=O)C34CCC[N@@H+]3CC=CC4)C2)C1)C1=CC(=O)[N-]O1	REAL300030000898	0	54	0.0	-66.01	404.62	4.31	-61.70
O=C(NC1CCC2(CN(C(=O)C34CCC[N@H+]3CC=CC4)C2)C1)C1=CC(=O)[N-]O1	REAL300030000898	1	54	0.0	-67.41	405.01	4.41	-63.00
CC(OCC[NH+](C)C)C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030000909	0	55	0.0	-69.36	431.40	4.08	-65.28
C[NH+](C)CCOCCC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030000919	0	55	0.0	-70.07	437.14	3.29	-66.78
COCC[N@H+](C)CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030000921	1	52	0.0	-70.54	409.92	2.25	-68.29
COCC[N@@H+](C)CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030000921	1	52	0.0	-72.05	410.17	2.22	-69.83
O=C(NC1CCC2(CN(C(=O)C3C[NH+](C4CCOC4)C3)C2)C1)C1=CC(=O)[N-]O1	REAL300030000922	0	54	0.0	-79.46	425.98	2.71	-76.75
CC(CCC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030000927	0	54	0.0	-70.06	417.67	4.23	-65.83
C[NH+]1CCC(=CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030000946	0	53	0.0	-74.16	413.64	4.74	-69.42
CC[N@H+](CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030000954	0	52	0.0	-69.85	409.52	4.45	-65.40
CC[N@@H+](CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030000954	1	52	0.0	-66.09	406.37	4.51	-61.58
CC1C[N@@H+]2CCN1C(C(=O)N1CC3(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030000970	0	55	0.0	-77.98	409.31	1.26	-76.72
CC1C[N@H+]2CCN1C(C(=O)N1CC3(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030000970	1	55	0.0	-83.37	411.63	1.33	-82.04
C[N@@H+]1CC2CC1(C(=O)N1CC3(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030000995	0	50	0.0	-77.63	388.80	3.68	-73.95
C[N@H+]1CC2CC1(C(=O)N1CC3(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030000995	1	50	0.0	-78.34	390.31	3.59	-74.75
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030001005	1	52	0.0	-74.58	425.74	3.06	-71.52
O=C(C[N@@H+]1CC2CCC1C2)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030001012	0	53	0.0	-66.73	407.00	4.58	-62.15
O=C(C[N@H+]1CC2CCC1C2)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030001012	1	53	0.0	-68.77	406.80	4.47	-64.30
CC(C[NH+](C)C)C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030001034	0	51	0.0	-70.79	396.08	3.53	-67.26
C[NH+](C)C1(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030001051	0	49	0.0	-76.76	384.42	3.40	-73.36
C[C@H](C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030001077	0	48	0.0	-71.34	378.47	2.87	-68.47
CC[N@@H+]1CCC1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030001086	1	49	0.0	-72.66	382.58	3.04	-69.62
CC[N@H+]1CCC1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030001086	1	49	0.0	-68.94	384.38	2.98	-65.96
CC(C)[N@@H+]1CCCC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030001099	0	58	0.0	-64.66	430.84	5.18	-59.48
CC(C)[N@H+]1CCCC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030001099	1	58	0.0	-72.50	436.62	5.04	-67.46
CCC(C)(C)[NH2+]C(C)C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030001114	0	57	0.0	-65.86	423.05	2.86	-63.00
C#CC[N@H+]1CCCCC1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030001158	1	54	0.0	-66.89	426.56	5.14	-61.75
C#CC[N@@H+]1CCCCC1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030001158	1	54	0.0	-68.05	415.82	4.74	-63.31
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030001159	1	51	0.0	-66.37	407.98	3.15	-63.22
NC1=CC=[NH+]C=C1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030001160	0	45	0.0	-74.11	366.67	0.51	-73.60
CCCC(C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030001169	0	54	0.0	-68.31	413.17	4.33	-63.98
C[NH+](C)C(C)(C)C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030001176	0	51	0.0	-70.32	378.80	3.40	-66.92
CC(CC[NH+](C)C)C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030001195	0	54	0.0	-77.08	422.68	4.20	-72.88
O=C(NC1CCC2(CN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)C2)C1)C1=CC(=O)[N-]O1	REAL300030001266	0	54	0.0	-74.19	414.24	4.87	-69.32
O=C(NC1CCC2(CN(C(=O)C34CC(C3)C[N@H+]4C3CC3)C2)C1)C1=CC(=O)[N-]O1	REAL300030001266	1	54	0.0	-68.14	413.58	5.80	-62.34
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030001305	0	55	0.0	-67.55	419.66	4.15	-63.40
C[N@H+]1CC(C)(C)CC1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030001305	1	55	0.0	-70.21	423.58	4.58	-65.63
C[NH+](C)CCCCCC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030001310	0	57	0.0	-72.13	447.18	5.41	-66.72
O=C(CC[NH+]1CCC(O)CC1)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030001314	0	56	0.0	-78.78	436.01	1.50	-77.28
CCC[N@@H+]1CCCCC1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030001318	0	58	0.0	-65.86	427.95	5.00	-60.86
CCC[N@H+]1CCCCC1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030001318	1	58	0.0	-67.93	428.00	4.90	-63.03
C[NH+]1CCN(CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030001328	1	54	0.0	-72.00	418.51	1.91	-70.09
CC1C[N@H+](C)CC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030001430	1	53	0.0	-78.05	408.17	3.30	-74.75
CC1C[N@@H+](C)CC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030001430	1	53	0.0	-85.42	408.93	3.02	-82.40
CCC1CCC[N@H+](CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030001463	0	58	0.0	-70.60	440.81	5.50	-65.10
CCC1CCC[N@@H+](CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030001463	1	58	0.0	-73.64	441.90	5.53	-68.11
C[NH+](C)CC1=CC=C(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300030001472	0	53	0.0	-86.72	423.15	3.84	-82.88
O=C(C[NH+]1CC2CC2C1)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030001487	0	50	0.0	-68.64	395.78	4.37	-64.27
O=C(CC1([NH+]2CCCC2)CC1)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030001500	0	56	0.0	-69.69	425.44	5.24	-64.45
C[N@@H+]1CCCCC1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030001539	0	52	0.0	-65.95	401.59	4.06	-61.89
C[N@H+]1CCCCC1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030001539	1	52	0.0	-66.85	401.29	3.96	-62.89
C[N@@H+]1CCC(=CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030001662	0	50	0.0	-73.49	399.47	3.96	-69.53
C[N@H+]1CCC(=CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030001662	1	50	0.0	-77.63	398.86	3.95	-73.68
O=C(CNC1=CC=[NH+]C=C1)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030001667	0	48	0.0	-74.71	396.64	1.69	-73.02
CC[NH+]1CCN(CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030001724	0	57	0.0	-70.97	435.74	2.55	-68.42
O=C(C=C1C[NH+]2CCC1CC2)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030001727	0	54	0.0	-67.95	416.46	4.88	-63.07
C[NH+](C)C1(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300030001765	0	55	0.0	-72.06	398.81	3.88	-68.18
C[N@H+](CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300030001776	0	56	0.0	-68.37	430.80	1.83	-66.54
C[N@@H+](CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300030001776	1	56	0.0	-69.08	431.51	1.65	-67.43
CCC1C[NH+](CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030001782	1	52	0.0	-72.51	412.77	4.30	-68.21
O=C(NC1CCC2(CN(C(=O)C3([NH+]4CCCC4)CCC3)C2)C1)C1=CC(=O)[N-]O1	REAL300030001786	0	56	0.0	-69.75	413.58	4.79	-64.96
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030001800	0	49	0.0	-69.18	385.15	3.40	-65.78
C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030001800	1	49	0.0	-71.47	379.05	2.90	-68.57
CC[N@@H+]1CCOCC1CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030001831	0	56	0.0	-78.05	428.31	2.87	-75.18
NC1=CC=C(CCC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C=[NH+]1	REAL300030001871	0	51	0.0	-73.68	419.95	2.92	-70.76
O=C(CC1=CC2=C[NH+]=CN2C=C1)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030001877	0	50	0.0	-73.50	415.33	6.59	-66.91
NC1=[NH+]C2=CC(C(=O)N3CC4(C3)CCC(NC(=O)C3=CC(=O)[N-]O3)C4)=CC=C2N1	REAL300030001921	1	49	0.0	-74.34	399.87	3.19	-71.15
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030001959	0	52	0.0	-72.61	409.87	4.22	-68.39
C[NH+](C)C1CCC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030001974	0	58	0.0	-71.91	429.07	4.78	-67.13
C[NH+](C)CCC1(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030001975	0	55	0.0	-77.46	434.30	4.82	-72.64
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030001977	0	58	0.0	-69.15	429.59	4.94	-64.21
C[N@@H+]1CC=CCC1CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030001978	0	53	0.0	-77.88	411.54	4.55	-73.33
C[N@H+]1CC=CCC1CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030001978	1	53	0.0	-67.13	407.16	4.42	-62.71
CC1=CC(C=CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)=C[NH+]=C1N	REAL300030002028	1	52	0.0	-77.76	425.93	3.37	-74.39
C[NH+](C)CCOCC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030002041	0	52	0.0	-74.34	416.79	3.52	-70.82
CCCCC[N@H+](C)CCC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030002047	0	60	0.0	-77.59	465.52	5.96	-71.63
CCCCC[N@@H+](C)CCC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030002047	1	60	0.0	-77.62	465.52	5.96	-71.66
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030002059	0	56	0.0	-72.10	435.70	4.66	-67.44
[NH2+]=C1SC=CN1CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030002084	0	45	0.0	-67.84	386.90	2.57	-65.27
C[C@@H](OCC[NH+](C)C)C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030002158	0	55	0.0	-72.12	431.41	4.09	-68.03
O=C(CC[NH+]1CCCCCC1)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030002202	0	58	0.0	-75.97	435.40	5.41	-70.56
C[N@@H+]1CCCC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030002208	0	52	0.0	-67.46	396.19	4.00	-63.46
C[N@H+]1CCCC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030002208	1	52	0.0	-67.46	396.19	4.00	-63.46
O=C(C[NH+]1CCCCCC1)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030002212	0	55	0.0	-70.25	410.97	4.44	-65.81
CN1C=C[N+](CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030002217	0	47	0.0	-71.81	392.16	5.93	-65.88
CN(C)CC1=CC=C(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030002235	0	52	0.0	-81.75	422.79	4.25	-77.50
C[NH+](C)CC1=CC=C(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030002235	1	52	0.0	-81.75	422.79	4.25	-77.50
O=C(CN1CCC(O)CC1)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030002255	0	53	0.0	-78.16	414.12	0.91	-77.25
O=C(C[NH+]1CCC(O)CC1)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030002255	1	53	0.0	-78.16	414.12	0.91	-77.25
C[N@H+](CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030002260	0	49	0.0	-71.20	390.35	3.84	-67.36
CC(C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)N1CCN(C)CC1	REAL300030002262	0	57	0.0	-72.76	433.10	2.27	-70.49
CC(C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)N1CC[NH+](C)CC1	REAL300030002262	1	57	0.0	-72.76	433.10	2.27	-70.49
O=C(CC[N@H+]1CCC(F)C1)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030002265	0	52	0.0	-74.82	414.95	4.18	-70.64
COC1C[N@H+](C)C(C)(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030002276	0	56	0.0	-78.38	420.75	2.53	-75.85
CC(CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300030002296	0	54	0.0	-76.43	417.94	4.43	-72.00
O=C(NC1CCC2(CN(C(=O)C3CC[N@@H+]4CCOCC34)C2)C1)C1=CC(=O)[N-]O1	REAL300030002312	0	54	0.0	-77.20	416.93	2.68	-74.52
O=C(NC1CCC2(CN(C(=O)C3CC[N@H+]4CCOCC34)C2)C1)C1=CC(=O)[N-]O1	REAL300030002312	1	54	0.0	-77.20	416.93	2.68	-74.52
CN1CCOCC1CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030002334	0	53	0.0	-70.49	404.04	2.08	-68.41
C[N@@H+]1CCOCC1CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030002334	1	53	0.0	-80.96	410.95	2.30	-78.66
C[N@H+]1CCOCC1CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030002334	1	53	0.0	-80.96	410.95	2.30	-78.66
CC1=CC(N)=NC=C1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030002397	0	48	0.0	-72.91	388.27	1.66	-71.25
CC1=CC(N)=[NH+]C=C1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030002397	1	48	0.0	-72.91	388.27	1.66	-71.25
CC1(O)CC[N@H+](CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030002441	0	53	0.0	-68.28	416.18	0.87	-67.41
C[NH+]1CC(CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030002476	0	49	0.0	-75.69	392.22	3.24	-72.45
O=C(NC1CCC2(CN(C(=O)C3CC[N@@H+]3C3CCCC3)C2)C1)C1=CC(=O)[N-]O1	REAL300030002481	0	56	0.0	-73.37	431.14	5.26	-68.11
O=C(NC1CCC2(CN(C(=O)C3CC[N@H+]3C3CCCC3)C2)C1)C1=CC(=O)[N-]O1	REAL300030002481	1	56	0.0	-73.37	431.14	5.26	-68.11
C[N@H+](CCO)CCC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030002518	0	52	0.0	-75.29	411.35	0.41	-74.88
C[N@@H+](CCO)CCC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030002518	1	52	0.0	-75.29	411.35	0.41	-74.88
C[N@@H+]1CCCCC1CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030002541	0	55	0.0	-77.00	420.18	4.59	-72.41
C[N@H+]1CCCCC1CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030002541	1	55	0.0	-77.00	420.18	4.59	-72.41
CC1=C2C=C(C(=O)N3CC4(C3)CCC(NC(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=N1	REAL300030002563	0	50	0.0	-75.81	407.88	6.02	-69.79
CC1=C2C=C(C(=O)N3CC4(C3)CCC(NC(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300030002563	1	50	0.0	-75.81	407.88	6.02	-69.79
CC1CCN1CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030002568	0	49	0.0	-71.56	386.06	3.29	-68.27
CC1CC[N@@H+]1CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030002568	1	49	0.0	-69.78	391.58	3.49	-66.29
CC1CC[N@H+]1CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030002568	1	49	0.0	-69.78	391.58	3.49	-66.29
C[NH+](C)CC=CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030002582	0	49	0.0	-73.85	396.04	3.68	-70.17
CC1(C)CN(CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030002595	0	52	0.0	-72.32	410.70	4.07	-68.25
CC1(C)C[NH+](CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030002595	1	52	0.0	-72.32	410.70	4.07	-68.25
CC1=C(C)NC(CCC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300030002614	0	53	0.0	-69.65	431.17	3.71	-65.94
CC1=C(C)[NH+]=C(CCC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300030002614	1	53	0.0	-69.65	431.17	3.71	-65.94
CC1=C2C=C(C(=O)N3CC4(C3)CCC(NC(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=N1	REAL300030002625	0	50	0.0	-75.81	407.88	6.02	-69.79
CC1=C2C=C(C(=O)N3CC4(C3)CCC(NC(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300030002625	1	50	0.0	-75.81	407.88	6.02	-69.79
C[NH+](C)CCSCC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030002635	0	52	0.0	-80.40	427.82	4.36	-76.04
O=C(C[N@H+]1CCCC1CO)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030002661	0	53	0.0	-72.11	414.24	0.91	-71.20
CC[NH+](CC)CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030002665	0	51	0.0	-67.28	396.42	3.83	-63.45
C[N@H+](CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300030002676	0	53	0.0	-78.38	421.79	4.64	-73.74
O=C(CN1CCC1)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030002678	0	46	0.0	-71.15	370.13	2.86	-68.29
O=C(C[NH+]1CCC1)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030002678	1	46	0.0	-71.15	370.13	2.86	-68.29
CC[NH+](CC)CCC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030002729	0	54	0.0	-69.74	418.26	4.41	-65.33
O=C(NC1CCC2(CN(C(=O)C3CC4COCC[N@@H+]4C3)C2)C1)C1=CC(=O)[N-]O1	REAL300030002821	0	54	0.0	-73.79	416.42	2.67	-71.12
O=C(NC1CCC2(CN(C(=O)C3CC4COCC[N@H+]4C3)C2)C1)C1=CC(=O)[N-]O1	REAL300030002821	1	54	0.0	-73.79	416.42	2.67	-71.12
CC(C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)N1CCC1	REAL300030002836	0	49	0.0	-71.77	382.38	3.13	-68.64
CC(C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300030002836	1	49	0.0	-71.77	382.38	3.13	-68.64
CCC(CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300030002843	0	57	0.0	-76.92	431.94	4.90	-72.02
NC1=CC=C(C=CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C=[NH+]1	REAL300030002850	0	49	0.0	-77.03	408.20	2.63	-74.40
C[NH+](C)CC(C)(C)C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030002851	0	54	0.0	-71.23	404.72	3.74	-67.49
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030002915	0	52	0.0	-71.38	391.24	3.60	-67.78
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030002915	1	52	0.0	-70.16	402.36	3.99	-66.17
CC1CN2CC[N@@H+]1CC2C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030002930	0	55	0.0	-74.51	409.62	1.15	-73.36
CC1CN2CC[N@H+]1CC2C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030002930	1	55	0.0	-77.91	409.94	1.11	-76.80
C[NH+](C)CC(O)CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030002951	0	52	0.0	-79.75	413.63	1.44	-78.31
C[NH+]1C2CCC1CC(C(=O)N1CC3(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030002954	0	56	0.0	-75.98	416.35	4.44	-71.54
C=CCC(C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030002987	0	52	0.0	-70.70	403.98	3.91	-66.79
O=C(NC1CCC2(CN(C(=O)C3CC4CCCC[N@@H+]4C3)C2)C1)C1=CC(=O)[N-]O1	REAL300030002997	0	56	0.0	-73.15	427.06	5.01	-68.14
O=C(NC1CCC2(CN(C(=O)C3CC4CCCC[N@H+]4C3)C2)C1)C1=CC(=O)[N-]O1	REAL300030002997	1	56	0.0	-70.66	427.02	5.12	-65.54
C[NH+]1CCC(C)(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030003008	0	55	0.0	-74.69	411.00	4.03	-70.66
C[NH+]1CCC(O)(CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030003010	0	56	0.0	-74.94	430.02	2.77	-72.17
CC1=C2C=C(C(=O)NC3CCC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C=CN2C=[NH+]1	REAL300030003092	1	50	0.0	-75.28	410.68	6.45	-68.83
C[NH+](C)CCSCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030003101	0	52	0.0	-81.33	425.94	4.25	-77.08
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC2COCC[N@@H+]2C1	REAL300030003109	0	54	0.0	-74.07	417.41	2.69	-71.38
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC2COCC[N@H+]2C1	REAL300030003109	1	54	0.0	-75.82	417.43	2.67	-73.15
C[N@@H+]1CCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030003274	0	49	0.0	-65.34	382.69	2.07	-63.27
C[N@H+]1CCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030003274	1	49	0.0	-68.74	382.78	2.06	-66.68
C[N@@H+]1CCOC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2N2C=CC=N2)C1	REAL300030003298	1	50	0.0	-71.79	400.60	2.98	-68.81
C[N@H+]1CCOC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2N2C=CC=N2)C1	REAL300030003298	1	50	0.0	-61.81	393.20	1.94	-59.87
CC1=[NH+]C=CN1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030003449	1	47	0.0	-59.23	390.80	3.13	-56.10
C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2N2C=CC=N2)CC[N@@H+]1C	REAL300030003484	0	52	0.0	-69.62	400.42	2.85	-66.77
C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2N2C=CC=N2)CC[N@H+]1C	REAL300030003484	1	52	0.0	-70.02	406.02	3.78	-66.24
C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2N2C=CC=N2)CCC1	REAL300030003526	0	52	0.0	-59.32	394.80	3.14	-56.18
CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1)[NH+](C)C	REAL300030003528	0	54	0.0	-67.52	408.95	4.00	-63.52
C[N@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1)C1CCC1	REAL300030003543	0	52	0.0	-62.20	409.26	4.48	-57.72
C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1)C1CCC1	REAL300030003543	1	52	0.0	-63.41	409.07	3.66	-59.75
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030003571	1	51	0.0	-64.24	409.87	4.28	-59.96
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030003571	1	51	0.0	-63.20	415.70	4.78	-58.42
C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2N2C=CC=N2)CC1	REAL300030003586	0	52	0.0	-68.91	408.27	4.24	-64.67
C[N@@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030003600	0	52	0.0	-64.12	405.24	4.11	-60.01
C[N@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030003600	1	52	0.0	-64.51	395.63	3.11	-61.40
CC1=C[NH+]=CN1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030003643	1	47	0.0	-64.63	391.17	3.87	-60.76
C[N@@H+]1CCC(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2N2C=CC=N2)C1	REAL300030003657	0	52	0.0	-67.76	409.98	4.12	-63.64
C[N@H+]1CCC(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2N2C=CC=N2)C1	REAL300030003657	1	52	0.0	-69.37	409.61	3.26	-66.11
CCC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1)[NH+](C)C	REAL300030003662	0	51	0.0	-66.07	396.83	3.66	-62.41
C[NH+](C)CCCCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030003690	0	54	0.0	-70.07	428.54	4.64	-65.43
CC(C)C(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1)[NH+](C)C	REAL300030003696	0	54	0.0	-64.02	405.71	3.04	-60.98
CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030003697	0	54	0.0	-68.00	425.29	4.50	-63.50
CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030003697	1	54	0.0	-67.73	424.76	4.47	-63.26
CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030003698	0	51	0.0	-64.73	402.42	3.94	-60.79
CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030003698	1	51	0.0	-64.98	402.40	3.94	-61.04
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030003719	0	49	0.0	-60.40	383.15	3.06	-57.34
C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030003719	1	49	0.0	-60.57	387.78	2.59	-57.98
CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030003740	0	51	0.0	-62.73	398.98	3.04	-59.69
C[NH+](C)CC1(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2N2C=CC=N2)CC1	REAL300030003803	0	52	0.0	-61.59	413.50	3.38	-58.21
C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2N2C=CC=N2)CC1	REAL300030003837	0	52	0.0	-68.91	408.27	4.24	-64.67
CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1)[NH+](C)C	REAL300030003852	0	54	0.0	-60.20	406.81	3.95	-56.25
CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030003899	0	51	0.0	-67.30	403.75	3.77	-63.53
CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030003899	1	51	0.0	-67.15	403.79	3.76	-63.39
CC1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030003914	0	52	0.0	-61.71	409.41	4.23	-57.48
CC1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030003914	1	52	0.0	-61.41	401.41	3.02	-58.39
CC1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2N2C=CC=N2)C1	REAL300030003915	0	52	0.0	-64.28	408.94	3.42	-60.86
CC1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2N2C=CC=N2)C1	REAL300030003915	1	52	0.0	-67.20	408.75	3.25	-63.95
CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1)[NH+](C)C	REAL300030003919	0	51	0.0	-63.09	393.22	2.70	-60.39
C[NH+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030003973	0	45	0.0	-65.51	363.17	2.53	-62.98
CN1C=C[N+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2N2C=CC=N2)=C1	REAL300030003974	0	47	0.0	-62.48	392.64	5.04	-57.44
C[N@@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2N2C=CC=N2)C1	REAL300030003977	0	52	0.0	-66.80	407.76	4.13	-62.67
C[N@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2N2C=CC=N2)C1	REAL300030003977	1	52	0.0	-67.99	407.85	4.12	-63.87
CC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1)[NH+]1CCC1	REAL300030003989	1	49	0.0	-62.22	390.70	2.73	-59.49
C[NH+](C)CC(C)(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030003994	0	54	0.0	-69.57	412.55	4.38	-65.19
C[N@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1)C1CC1	REAL300030004001	0	49	0.0	-64.84	391.96	2.93	-61.91
C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1)C1CC1	REAL300030004001	1	49	0.0	-62.76	392.32	3.08	-59.68
C[NH+]1CC(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2N2C=CC=N2)C1	REAL300030004013	0	49	0.0	-68.97	394.27	3.25	-65.72
C[C@@H](C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1)[NH+](C)C	REAL300030004027	0	48	0.0	-64.88	381.09	2.08	-62.80
C[N@H+](CCO)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030004071	0	52	0.0	-66.42	413.62	0.50	-65.92
C[N@@H+](CCO)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030004071	1	52	0.0	-67.23	414.12	0.53	-66.70
C[C@@H](C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1)[NH+](C)C	REAL300030004072	0	48	0.0	-64.88	381.09	2.08	-62.80
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030004075	0	52	0.0	-62.10	395.88	3.93	-58.17
C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030004075	1	52	0.0	-63.16	404.72	3.12	-60.04
C[N@@H+]1CCC(=CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2N2C=CC=N2)C1	REAL300030004118	0	50	0.0	-71.40	402.03	4.05	-67.35
C[N@H+]1CCC(=CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2N2C=CC=N2)C1	REAL300030004118	1	50	0.0	-70.53	401.61	3.17	-67.36
C[NH+](C)CCOCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030004130	0	52	0.0	-65.30	418.76	2.72	-62.58
C[C@H](C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1)[NH+](C)C	REAL300030004144	0	48	0.0	-61.92	381.59	2.97	-58.95
CC1C[NH+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2N2C=CC=N2)C1	REAL300030004162	1	49	0.0	-64.97	394.50	3.61	-61.36
C[N@H+](CCO)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030004175	1	49	0.0	-66.43	391.27	-0.05	-66.48
C[N@@H+](CCO)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030004175	1	49	0.0	-64.40	391.09	-0.07	-64.47
CC(CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1)C[NH+](C)C	REAL300030004189	0	54	0.0	-67.98	420.33	4.50	-63.48
CC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030004192	0	48	0.0	-64.48	380.90	3.20	-61.28
CC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030004192	1	48	0.0	-64.72	380.63	2.35	-62.37
CC[N@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1)C1CC1	REAL300030004208	0	52	0.0	-62.98	404.01	3.25	-59.73
CC[N@@H+](CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1)C1CC1	REAL300030004208	1	52	0.0	-62.41	409.25	4.53	-57.88
CC[NH+](CC)CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030004215	0	54	0.0	-66.36	421.14	4.42	-61.94
C[NH+](C)CC=CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030004234	0	49	0.0	-71.39	397.39	2.74	-68.65
COCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030004244	1	52	0.0	-63.93	413.34	2.33	-61.60
COCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030004244	1	52	0.0	-66.58	413.52	2.35	-64.23
CC(CCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1)[NH+](C)C	REAL300030004257	0	54	0.0	-67.07	417.00	4.30	-62.77
CC[N@@H+]1CCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030004263	1	49	0.0	-62.61	387.78	2.40	-60.21
CC[N@H+]1CCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030004263	1	49	0.0	-63.47	387.81	2.40	-61.07
C=CCC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1)[NH+](C)C	REAL300030004296	0	52	0.0	-62.76	406.69	3.99	-58.77
O=C(C[NH+]1CC2CC2C1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030004307	0	50	0.0	-64.79	398.22	3.53	-61.26
CCCC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1)[NH+](C)C	REAL300030004317	0	54	0.0	-62.13	417.32	4.41	-57.72
C[NH+](C)C(C)(C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030004319	0	51	0.0	-67.95	390.06	2.85	-65.10
C[N@@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030004333	0	52	0.0	-64.12	405.24	4.11	-60.01
C[N@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030004333	1	52	0.0	-64.51	395.63	3.11	-61.40
C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2N2C=CC=N2)CC1	REAL300030004388	0	49	0.0	-64.66	381.74	3.03	-61.63
O=C(CC[NH+]1CCCC1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030004389	0	52	0.0	-66.67	410.47	4.16	-62.51
C[N@@H+]1CC2CC1(C(=O)N[C@@H]1CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]1N1C=CC=N1)C2	REAL300030004407	0	50	0.0	-71.48	393.36	2.76	-68.72
C[N@H+]1CC2CC1(C(=O)N[C@@H]1CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]1N1C=CC=N1)C2	REAL300030004407	1	50	0.0	-67.31	393.64	3.93	-63.38
CC(C[NH+](C)C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030004454	0	51	0.0	-63.32	400.57	3.06	-60.26
CC(C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1)[NH+]1CC(C)C1	REAL300030004484	1	52	0.0	-63.81	411.27	4.28	-59.53
CC1CC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030004485	1	49	0.0	-62.67	389.45	3.38	-59.29
CC1CC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030004485	1	49	0.0	-67.38	394.03	2.60	-64.78
C[NH+](C)CC(O)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030004487	0	52	0.0	-71.65	415.60	0.67	-70.98
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2N2C=CC=N2)C1	REAL300030004529	0	52	0.0	-63.95	412.80	4.23	-59.72
CC(CC[NH+](C)C)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030004532	0	54	0.0	-69.09	422.94	3.57	-65.52
NC(=[NH2+])SCC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030004561	0	43	0.0	-68.19	370.80	-1.37	-69.56
CCC1CN(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2N2C=CC=N2)C1	REAL300030004637	0	52	0.0	-66.02	415.34	3.51	-62.51
CCC1C[NH+](CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2N2C=CC=N2)C1	REAL300030004637	1	52	0.0	-66.02	415.34	3.51	-62.51
C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030004641	0	49	0.0	-66.38	382.86	2.21	-64.17
CC1C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2N2C=CC=N2)CC[N@@H+]1C	REAL300030004656	0	52	0.0	-69.11	405.02	3.16	-65.95
CC1C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2N2C=CC=N2)CC[N@H+]1C	REAL300030004656	1	52	0.0	-69.11	405.02	3.16	-65.95
C[N@@H+]1CCCC1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030004844	0	49	0.0	-63.29	387.94	2.50	-60.79
C[N@@H+]1CCOC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](N3C=CC=N3)C2)C1	REAL300030004870	1	50	0.0	-69.36	391.03	2.72	-66.64
C[N@H+]1CCOC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](N3C=CC=N3)C2)C1	REAL300030004870	1	50	0.0	-77.69	397.21	1.89	-75.80
C[N@@H+]1CCC(CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](N3C=CC=N3)C2)C1	REAL300030005030	0	52	0.0	-69.77	410.23	3.24	-66.53
C[N@H+]1CCC(CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](N3C=CC=N3)C2)C1	REAL300030005030	1	52	0.0	-70.31	412.60	3.27	-67.04
CCC(C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1)[NH+](C)C	REAL300030005035	0	51	0.0	-65.86	393.68	3.54	-62.32
C[NH+](C)CCCCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030005058	0	54	0.0	-69.28	431.46	4.82	-64.46
CC(C)C(C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1)[NH+](C)C	REAL300030005066	0	54	0.0	-67.52	410.37	3.38	-64.14
CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030005067	0	54	0.0	-69.49	427.69	4.64	-64.85
CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030005067	1	54	0.0	-69.78	427.47	3.78	-66.00
CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030005068	0	51	0.0	-66.65	403.63	3.04	-63.61
CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030005068	1	51	0.0	-66.86	403.65	3.04	-63.82
C[NH+](C)CC1(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](N3C=CC=N3)C2)CC1	REAL300030005120	0	52	0.0	-67.86	414.21	3.34	-64.52
CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030005134	0	51	0.0	-68.94	406.19	3.88	-65.06
CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030005134	1	51	0.0	-69.16	405.97	3.04	-66.12
C[NH+]1CCC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](N3C=CC=N3)C2)CC1	REAL300030005170	0	52	0.0	-70.12	406.07	3.16	-66.96
CC(C)[C@H](C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1)[NH+](C)C	REAL300030005185	0	54	0.0	-67.09	410.34	3.39	-63.70
C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](N3C=CC=N3)C2)CCC1	REAL300030005230	0	52	0.0	-66.82	390.78	2.67	-64.15
CC1CCC[N@@H+]1CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030005260	0	52	0.0	-65.14	410.09	3.40	-61.74
CC1CCC[N@H+]1CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030005260	1	52	0.0	-63.18	403.13	3.01	-60.17
CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1)[NH+](C)C	REAL300030005280	0	54	0.0	-65.29	405.63	3.40	-61.89
CC1CC[N@H+](CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](N3C=CC=N3)C2)C1	REAL300030005289	0	52	0.0	-66.96	411.06	3.50	-63.46
CC1CC[N@@H+](CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](N3C=CC=N3)C2)C1	REAL300030005289	1	52	0.0	-67.71	411.74	3.47	-64.24
CC[C@@H](C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1)[NH+](C)C	REAL300030005293	0	51	0.0	-66.23	394.92	3.63	-62.60
CC1=[NH+]C=CN1CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030005351	1	47	0.0	-65.03	395.28	3.36	-61.67
CC1=C[NH+]=CN1CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030005396	1	47	0.0	-67.48	395.56	4.12	-63.36
C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](N3C=CC=N3)C2)CC[N@@H+]1C	REAL300030005399	0	52	0.0	-70.18	400.56	2.94	-67.24
C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](N3C=CC=N3)C2)CC[N@H+]1C	REAL300030005399	1	52	0.0	-67.79	407.85	3.84	-63.95
C[N@H+](CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1)C1CCC1	REAL300030005458	0	52	0.0	-66.67	412.19	4.63	-62.04
C[N@@H+](CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1)C1CCC1	REAL300030005458	1	52	0.0	-66.70	411.87	3.65	-63.05
C[NH+]1CCC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](N3C=CC=N3)C2)CC1	REAL300030005470	0	52	0.0	-70.12	406.07	3.16	-66.96
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030005487	0	49	0.0	-65.83	381.18	3.00	-62.83
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030005487	1	49	0.0	-64.94	387.92	2.63	-62.31
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030005502	1	51	0.0	-64.48	411.37	4.35	-60.13
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030005502	1	51	0.0	-65.16	412.47	3.74	-61.42
C[N@@H+]1CCCCC1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030005550	0	52	0.0	-65.17	406.89	4.18	-60.99
C[N@H+]1CCCCC1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030005550	1	52	0.0	-69.61	397.08	2.89	-66.72
CC1C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](N3C=CC=N3)C2)CC[N@@H+]1C	REAL300030005592	0	52	0.0	-71.63	399.91	2.60	-69.03
CC1C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](N3C=CC=N3)C2)CC[N@H+]1C	REAL300030005592	1	52	0.0	-66.72	402.71	3.69	-63.03
C[C@@H](C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1)[NH+](C)C	REAL300030005641	0	48	0.0	-66.46	382.47	2.15	-64.31
O=C(CC[NH+]1CCCC1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030005660	0	52	0.0	-68.36	414.42	4.39	-63.97
C[N@H+](CCO)CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030005665	1	49	0.0	-68.13	392.49	-0.94	-69.07
C[N@@H+](CCO)CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030005665	1	49	0.0	-66.05	392.27	-0.95	-67.00
CC1C[NH+](CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](N3C=CC=N3)C2)C1	REAL300030005733	1	49	0.0	-68.79	395.71	2.81	-65.98
NC1=[NH+]C=CC=C1CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030005740	0	48	0.0	-65.70	400.35	2.48	-63.22
CC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030005789	0	48	0.0	-66.28	382.15	2.30	-63.98
CC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030005789	1	48	0.0	-66.44	382.15	2.29	-64.15
O=C(C[N@@H+]1CC2C=CC1C2)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030005814	1	51	0.0	-64.85	404.94	3.64	-61.21
O=C(C[N@H+]1CC2C=CC1C2)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030005814	1	51	0.0	-65.66	404.99	3.54	-62.12
COCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030005865	1	52	0.0	-65.64	414.52	1.44	-64.20
COCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030005865	1	52	0.0	-68.19	414.74	1.46	-66.73
CC(CCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1)[NH+](C)C	REAL300030005867	0	54	0.0	-68.14	423.85	4.46	-63.68
CC[N@H+](CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1)C1CC1	REAL300030005875	0	52	0.0	-64.93	415.38	3.84	-61.09
CC[N@@H+](CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1)C1CC1	REAL300030005875	1	52	0.0	-65.35	412.67	3.82	-61.53
C[N@@H+]1CC2CC1(C(=O)N1C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](N3C=CC=N3)C1)C2	REAL300030005893	0	50	0.0	-62.43	388.92	3.63	-58.80
C[N@H+]1CC2CC1(C(=O)N1C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](N3C=CC=N3)C1)C2	REAL300030005893	1	50	0.0	-64.04	393.74	2.76	-61.28
CC(C[NH+](C)C)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030005910	0	51	0.0	-66.33	402.91	3.73	-62.60
C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](N3C=CC=N3)C2)CC1	REAL300030005916	0	49	0.0	-67.70	386.09	2.40	-65.30
C[C@H](C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1)[NH+](C)C	REAL300030005929	0	48	0.0	-67.51	382.19	2.08	-65.43
CC[N@@H+]1CCC1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030005932	1	49	0.0	-65.06	388.99	2.24	-62.82
CC[N@H+]1CCC1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030005932	1	49	0.0	-65.98	389.40	3.23	-62.75
NC1=CC=[NH+]C=C1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030005954	0	45	0.0	-64.89	374.39	0.57	-64.32
CCCC(C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1)[NH+](C)C	REAL300030005960	0	54	0.0	-66.33	416.49	3.54	-62.79
C[NH+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030005963	0	51	0.0	-64.57	384.76	3.19	-61.38
CC(CC[NH+](C)C)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030005975	0	54	0.0	-70.20	426.91	3.56	-66.64
O=C(C[NH+]1CC2CC2C1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030006066	0	50	0.0	-68.19	400.92	4.49	-63.70
C[N@@H+]1CCCCC1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030006079	0	52	0.0	-65.17	406.89	4.18	-60.99
C[N@H+]1CCCCC1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030006079	1	52	0.0	-69.61	397.08	2.89	-66.72
C[N@@H+]1CCC(=CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](N3C=CC=N3)C2)C1	REAL300030006118	0	50	0.0	-70.90	404.69	4.22	-66.68
C[N@H+]1CCC(=CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](N3C=CC=N3)C2)C1	REAL300030006118	1	50	0.0	-70.77	404.22	4.15	-66.62
O=C(CNC1=CC=[NH+]C=C1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030006120	0	48	0.0	-66.02	401.53	1.05	-64.97
CCC1C[NH+](CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](N3C=CC=N3)C2)C1	REAL300030006158	1	52	0.0	-68.24	418.48	3.63	-64.61
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030006164	0	49	0.0	-65.82	385.92	2.43	-63.39
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030006164	1	49	0.0	-67.84	383.00	2.15	-65.69
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](N3C=CC=N3)C2)C1	REAL300030006222	0	52	0.0	-70.84	415.35	3.39	-67.45
C[NH+](C)CCOCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030006249	0	52	0.0	-67.72	421.47	2.77	-64.95
C[N@@H+]1CCCC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](N3C=CC=N3)C2)C1	REAL300030006300	0	52	0.0	-68.33	405.90	3.08	-65.25
C[N@H+]1CCCC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](N3C=CC=N3)C2)C1	REAL300030006300	1	52	0.0	-68.33	405.90	3.08	-65.25
CN1C=C[N+](CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](N3C=CC=N3)C2)=C1	REAL300030006301	0	47	0.0	-65.80	395.59	5.15	-60.65
C[N@H+](CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1)C1CC1	REAL300030006314	0	49	0.0	-65.75	394.93	3.05	-62.70
CC(CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1)C[NH+](C)C	REAL300030006327	0	54	0.0	-69.51	422.87	3.77	-65.74
CC1=CC(N)=NC=C1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030006371	0	48	0.0	-63.14	395.29	1.88	-61.26
CC1=CC(N)=[NH+]C=C1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030006371	1	48	0.0	-63.14	395.29	1.88	-61.26
C[NH+]1CC(CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](N3C=CC=N3)C2)C1	REAL300030006402	0	49	0.0	-69.32	397.38	3.49	-65.83
C[N@H+](CCO)CCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030006420	0	52	0.0	-68.82	416.52	0.65	-68.17
C[N@@H+](CCO)CCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030006420	1	52	0.0	-68.82	416.52	0.65	-68.17
CC1CCN1CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030006441	0	49	0.0	-66.93	397.39	3.75	-63.18
CC1CC[N@@H+]1CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030006441	1	49	0.0	-66.91	397.18	2.87	-64.04
CC1CC[N@H+]1CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030006441	1	49	0.0	-66.91	397.18	2.87	-64.04
C[NH+](C)CC=CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030006445	0	49	0.0	-71.04	400.86	2.97	-68.07
CC1(C)CN(CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](N3C=CC=N3)C2)C1	REAL300030006449	0	52	0.0	-68.25	417.16	4.32	-63.93
CC1(C)C[NH+](CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](N3C=CC=N3)C2)C1	REAL300030006449	1	52	0.0	-68.25	417.16	4.32	-63.93
CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030006475	0	51	0.0	-66.74	402.40	4.05	-62.69
O=C(CN1CCC1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030006482	0	46	0.0	-68.70	375.94	2.20	-66.50
O=C(C[NH+]1CCC1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030006482	1	46	0.0	-68.70	375.94	2.20	-66.50
CC[NH+](CC)CCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030006504	0	54	0.0	-67.89	424.04	4.59	-63.30
CC(C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1)N1CCC1	REAL300030006545	0	49	0.0	-63.54	386.70	2.16	-61.38
CC(C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1)[NH+]1CCC1	REAL300030006545	1	49	0.0	-63.54	386.70	2.16	-61.38
C[NH+](C)CC(C)(C)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030006551	0	54	0.0	-68.46	405.38	2.86	-65.60
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030006574	0	52	0.0	-60.85	404.87	3.18	-57.67
C[NH+](C)CC(O)CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030006586	0	52	0.0	-71.82	418.46	0.86	-70.96
C=CCC(C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1)[NH+](C)C	REAL300030006602	0	52	0.0	-66.15	409.09	3.31	-62.84
CC(NC(=O)C1CCC[N@@H+]1C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030006806	0	46	0.0	-65.24	364.05	-1.43	-66.67
CC(NC(=O)C1CN(C)CCO1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030006830	0	47	0.0	-73.95	374.90	-1.51	-75.46
CC(NC(=O)C1C[N@H+](C)CCO1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030006830	1	47	0.0	-79.58	382.54	-1.43	-81.01
CC(NC(=O)C1C[N@@H+](C)CCO1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030006830	1	47	0.0	-79.58	382.54	-1.43	-81.01
CC(C)C1=[NH+]C=CN1CCC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007006	1	53	0.0	-62.37	430.13	1.18	-61.19
CC(NC(=O)C(C)[NH+]1CCCCCC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007010	0	55	0.0	-67.33	414.34	0.56	-66.77
CC(C)[N@@H+]1CCCC1C(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007038	0	52	0.0	-62.67	403.57	0.16	-62.51
CC(C)[N@H+]1CCCC1C(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007038	1	52	0.0	-68.02	393.15	0.25	-67.77
CC(NC(=O)C1CC2CCCC[N@@H+]2C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007059	0	53	0.0	-65.98	412.36	0.69	-65.29
CC(NC(=O)C1CC2CCCC[N@H+]2C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007059	1	53	0.0	-64.46	411.14	0.77	-63.69
CC(C)C1=[NH+]C=CN1CC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007086	1	50	0.0	-66.49	411.08	0.85	-65.64
CC1=[NH+]C=CN1CC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007127	1	44	0.0	-64.70	374.15	-0.36	-65.06
CC(C[NH+]1CCOCC1)C(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007129	0	53	0.0	-69.54	416.03	-1.25	-70.79
CC(NC(=O)CCC[NH+]1CCCCC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007147	0	55	0.0	-68.52	429.76	1.23	-67.29
CC(NC(=O)C1C[NH+]2CCC1CC2)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007185	0	50	0.0	-68.37	385.95	-0.19	-68.56
CC(NC(=O)C1CCCC2CCC[N@@H+]21)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007234	0	53	0.0	-61.02	409.23	0.87	-60.15
CC(NC(=O)C1CCCC2CCC[N@H+]21)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007234	1	53	0.0	-61.43	408.61	0.86	-60.57
CC(NC(=O)C1=CN(CC[NH+](C)C)N=C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007236	0	52	0.0	-76.92	429.03	-0.47	-77.39
CC(NC(=O)C1=NN(CC[NH+](C)C)C=C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007248	0	52	0.0	-78.04	429.36	-0.47	-78.51
CC(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007254	0	49	0.0	-73.88	381.90	-0.92	-74.80
CC(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007254	1	49	0.0	-68.72	386.21	-0.49	-69.21
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007256	1	53	0.0	-62.53	430.67	1.24	-61.29
CC[C@@H]1[C@@H](C(=O)NC(C)C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030007259	0	52	0.0	-72.17	401.77	-0.19	-72.36
CC[C@@H]1[C@@H](C(=O)NC(C)C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030007259	1	52	0.0	-67.53	407.19	0.13	-67.40
CC[N@@H+]1CCOC(C(=O)NC(C)C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030007279	1	50	0.0	-72.63	393.14	-0.91	-73.54
CC[N@H+]1CCOC(C(=O)NC(C)C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030007279	1	50	0.0	-73.10	393.38	-0.95	-74.05
CC[NH+](CC)CC(F)C(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007325	0	51	0.0	-66.70	408.04	0.04	-66.66
CC(NC(=O)C[NH+]1C(C)CCC1C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007406	0	52	0.0	-63.24	401.75	-0.09	-63.33
CC(NC(=O)CCC[NH+]1CCCC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007413	0	52	0.0	-68.41	414.55	0.55	-67.86
CC(NC(=O)C1=CC=CC(C[NH+](C)C)=C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007414	0	52	0.0	-73.69	423.47	1.60	-72.09
C#CC[NH+]1CCC(C(=O)NC(C)C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030007419	0	51	0.0	-71.82	413.93	0.83	-70.99
CC(NC(=O)CC[NH+]1CCCCC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007420	0	52	0.0	-68.16	408.26	0.43	-67.73
CC(C)C[N@@H+]1CCC(C(=O)NC(C)C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030007451	0	55	0.0	-71.56	431.04	1.12	-70.44
CC(C)C[N@H+]1CCC(C(=O)NC(C)C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030007451	1	55	0.0	-68.18	429.48	0.93	-67.25
CC(C)[N@@H+]1CCCC1CC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007460	0	55	0.0	-64.35	414.54	0.66	-63.69
CC(C)[N@H+]1CCCC1CC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007460	1	55	0.0	-69.58	413.57	0.40	-69.18
CC(NC(=O)C[N@H+](C)C1CCC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007528	0	49	0.0	-69.60	391.44	0.09	-69.51
CC(NC(=O)C[N@@H+](C)C1CCC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007528	1	49	0.0	-69.11	391.39	0.11	-69.00
CC(NC(=O)C(C)[NH+]1C(C)CCC1C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007589	0	55	0.0	-61.14	415.40	0.38	-60.76
CC(NC(=O)CCN(C)C1=CC=[NH+]C=C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007650	0	51	0.0	-63.76	419.46	-0.31	-64.07
CC(NC(=O)CCC1CCC[N@@H+]1C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007669	0	52	0.0	-67.36	406.44	0.05	-67.31
CC(NC(=O)CCC1CCC[N@H+]1C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007669	1	52	0.0	-73.22	412.21	0.66	-72.56
CC(NC(=O)C1CCC2CCCC[N@@H+]21)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007684	0	53	0.0	-65.68	412.93	1.12	-64.56
CC(NC(=O)C1CCC2CCCC[N@H+]21)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007684	1	53	0.0	-65.75	412.45	1.11	-64.64
CC(NC(=O)CCCC[NH+]1CCCC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007709	0	55	0.0	-68.85	436.05	1.34	-67.51
CC(NC(=O)C[N@H+](C)CC1=CC=CC=C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007711	1	52	0.0	-75.75	421.98	1.72	-74.03
CC(NC(=O)C[N@@H+](C)CC1=CC=CC=C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007711	1	52	0.0	-75.83	421.33	1.79	-74.04
CC(NC(=O)C1CC[NH+](C)CC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007725	0	49	0.0	-71.26	389.25	-0.32	-71.58
CC(NC(=O)C1=NOC(C[NH+](C)C)=C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007764	1	48	0.0	-78.44	402.75	-0.83	-79.27
CC1=C(C(=O)NC(C)C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300030007766	0	47	0.0	-72.52	397.49	1.84	-70.68
CC(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007940	0	44	0.0	-68.95	374.88	1.53	-67.42
CC1=[NH+]C=CN1CCCC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007952	1	50	0.0	-68.65	416.29	1.02	-67.63
CC(NC(=O)CCCC[NH+]1CCOCC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007956	1	56	0.0	-75.18	443.58	-0.30	-75.48
CC(NC(=O)C1=CC=C(C[NH+](C)C)C=C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007960	0	52	0.0	-78.03	423.46	1.61	-76.42
CC(NC(=O)CC[NH+]1CCOCC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007961	1	50	0.0	-71.14	399.98	-1.98	-73.12
CCC[NH+](CCC)CCCC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007978	0	60	0.0	-71.97	467.87	2.33	-69.64
CC1=C[NH+]=CN1CC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007996	1	44	0.0	-70.40	375.08	0.46	-69.94
CC(NC(=O)CN1C=[NH+]C2=C1CCCC2)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008005	1	51	0.0	-66.74	415.67	2.10	-64.64
CC(NC(=O)C1(C[NH+](C)C)CCCCC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008036	0	58	0.0	-73.36	422.53	1.51	-71.85
CC(NC(=O)CC[N@H+](C)C1CCCCC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008040	0	58	0.0	-72.96	443.58	1.72	-71.24
CC(NC(=O)CC[N@@H+](C)C1CCCCC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008040	1	58	0.0	-73.25	443.73	1.70	-71.55
CC(NC(=O)C1CCCC([NH+](C)C)C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008079	0	55	0.0	-65.21	416.99	0.71	-64.50
CC(NC(=O)CC1CC[N@H+](C)C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008083	0	49	0.0	-70.51	391.04	-0.38	-70.89
CC(NC(=O)CC1CC[N@@H+](C)C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008083	1	49	0.0	-73.18	391.20	-0.21	-73.39
CCC(C(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030008100	0	48	0.0	-64.33	375.37	-0.96	-65.29
CC(NC(=O)CC1([NH+](C)C)CCCC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008118	0	55	0.0	-73.37	408.52	0.61	-72.76
CC(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008167	1	44	0.0	-71.86	375.16	1.54	-70.32
CC(NC(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008202	1	47	0.0	-77.11	404.37	-0.53	-77.64
CC(NC(=O)CCCC[NH+](C)C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008226	0	51	0.0	-73.16	410.68	0.24	-72.92
CCC[N@H+](C)CCC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008244	0	51	0.0	-72.99	406.77	0.07	-72.92
CCC[N@@H+](C)CCC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008244	1	51	0.0	-69.44	406.31	-0.01	-69.45
CCC[N@H+](C)CC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008248	0	48	0.0	-67.50	383.91	-0.56	-68.06
CCC[N@@H+](C)CC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008248	1	48	0.0	-71.45	384.55	-0.48	-71.93
CC(NC(=O)C12CC[N@H+](C1)CCC2)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008271	0	50	0.0	-69.21	386.61	-0.76	-69.97
CC(NC(=O)C12CC[N@@H+](C1)CCC2)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008271	1	50	0.0	-67.91	386.22	-0.73	-68.64
CC(NC(=O)[C@H]1CCC[N@@H+]1C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008318	0	46	0.0	-64.57	370.30	-0.88	-65.45
CC(NC(=O)[C@H]1CCC[N@H+]1C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008318	1	46	0.0	-70.04	364.68	-1.25	-71.29
CC(NC(=O)C1CCC2CC(C)C[N@@H+]2C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008340	0	56	0.0	-68.60	432.56	1.53	-67.07
CC(NC(=O)C1CCC2CC(C)C[N@H+]2C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008340	1	56	0.0	-65.70	432.59	1.34	-64.36
CCCCCC[N@H+](C)CC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008376	0	57	0.0	-68.71	448.41	1.78	-66.93
CCCCCC[N@@H+](C)CC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008376	1	57	0.0	-72.65	449.04	1.87	-70.78
CC[NH+](CC)CC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008390	0	48	0.0	-69.68	376.90	-0.80	-70.48
CCC[N@@H+]1CCCC(C(=O)NC(C)C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030008416	0	55	0.0	-67.33	428.47	1.04	-66.29
CCC[N@H+]1CCCC(C(=O)NC(C)C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030008416	1	55	0.0	-62.05	422.18	1.25	-60.80
CC(C)[N@@H+]1CCOC(C(=O)NC(C)C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030008432	1	53	0.0	-64.26	409.31	-0.53	-64.79
CC(C)[N@H+]1CCOC(C(=O)NC(C)C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030008432	1	53	0.0	-64.40	409.10	-0.53	-64.93
CC(NC(=O)C[NH+]1CCC(C)CC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008467	0	52	0.0	-67.52	407.68	0.52	-67.00
CC(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008489	1	47	0.0	-75.84	403.98	-0.54	-76.38
CC(NC(=O)COC1CC[NH+](C)CC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008496	0	53	0.0	-76.21	425.13	0.22	-75.99
CC(NC(=O)C1(C[NH+](C)C)CC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008511	0	49	0.0	-71.89	396.39	0.00	-71.89
CC1=[NH+]C=C2CCC(C(=O)NC(C)C3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300030008512	1	51	0.0	-65.68	412.46	0.88	-64.80
CC(C)[NH+]1CCC(C(=O)NC(C)C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030008592	0	55	0.0	-68.67	419.92	0.64	-68.03
CC(NC(=O)C1CC[NH+](C)CC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008616	0	49	0.0	-71.26	389.25	-0.32	-71.58
CCC(C(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030008651	0	54	0.0	-62.09	410.88	0.33	-61.76
CC[N@H+](C)CCC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008727	0	48	0.0	-72.30	385.27	-0.68	-72.98
CC[N@@H+](C)CCC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008727	1	48	0.0	-68.75	384.82	-0.78	-69.53
CC(NC(=O)C[N@@H+]1CCCC1C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008782	0	49	0.0	-68.01	383.79	-0.48	-68.49
CC(NC(=O)C[N@H+]1CCCC1C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008782	1	49	0.0	-64.85	389.08	-0.18	-65.03
CC(NC(=O)C[N@@H+]1CCC(C)C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008784	0	49	0.0	-70.84	389.87	-0.07	-70.91
CC(NC(=O)C[N@H+]1CCC(C)C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008784	1	49	0.0	-70.56	391.28	-0.16	-70.72
CC(NC(=O)C1(F)CC[N@@H+](C(C)(C)C)C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008785	0	55	0.0	-65.58	426.18	0.33	-65.25
CC(NC(=O)C1(F)CC[N@H+](C(C)(C)C)C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008785	1	55	0.0	-62.81	426.30	0.37	-62.44
CC1=[NH+]C=C2CC(C(=O)NC(C)C3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300030008786	1	51	0.0	-68.07	413.90	0.94	-67.13
CC(NC(=O)C[N@@H+]1CCC(C)(C)C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008789	0	52	0.0	-70.50	410.21	0.40	-70.10
CC(NC(=O)C[N@H+]1CCC(C)(C)C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008789	1	52	0.0	-70.85	410.53	0.37	-70.48
CC(NC(=O)C[N@H+](C)CC(C)(C)C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008790	0	54	0.0	-71.06	414.81	0.76	-70.30
CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008790	1	54	0.0	-70.98	414.94	0.61	-70.37
CC[C@@H](C(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030008799	0	48	0.0	-64.34	375.34	-0.98	-65.32
CC(COCC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300030008806	0	56	0.0	-66.98	443.30	0.78	-66.20
CC(NC(=O)C1CC[NH+](CC2CC2)CC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008880	0	56	0.0	-71.09	438.46	1.89	-69.20
CC(NC(=O)CC1(O)CC[NH+](C)CC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009000	0	53	0.0	-70.54	415.22	-1.69	-72.23
COCC[N@@H+]1CCCC1CC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009006	0	56	0.0	-71.54	434.04	-0.53	-72.07
COCC[N@H+]1CCCC1CC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009006	1	56	0.0	-67.33	435.89	-0.90	-68.23
CC(NC(=O)C[NH+](C)C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009013	0	42	0.0	-71.77	345.32	-1.87	-73.64
CC(NC(=O)C[NH+]1CCC(CO)CC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009017	1	53	0.0	-69.03	418.51	-2.78	-71.81
CC(NC(=O)C[NH+]1CCCCCC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009021	0	52	0.0	-70.67	396.40	0.17	-70.50
CC(NC(=O)C[N+]1=CN(C)C=C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009026	0	44	0.0	-68.86	376.55	1.63	-67.23
CC(NC(=O)C1CCC[N@H+](C)C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009036	0	49	0.0	-63.74	382.39	-0.15	-63.89
CC(NC(=O)C1CCC[N@@H+](C)C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009036	1	49	0.0	-71.61	389.92	-0.26	-71.87
CC(NC(=O)C1CCC[N@@H+]1C1CC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009040	0	50	0.0	-66.14	402.57	0.66	-65.48
CC(NC(=O)C1CCC[N@H+]1C1CC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009040	1	50	0.0	-62.43	397.20	0.40	-62.03
CC(NC(=O)C(C)[NH+]1CCC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009069	1	46	0.0	-64.62	372.82	-0.91	-65.53
CCC(CC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030009078	0	54	0.0	-72.98	416.83	0.59	-72.39
CC(NC(=O)C[NH+]1CCC(O)CC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009118	1	50	0.0	-71.07	397.93	-3.44	-74.51
CC(NC(=O)C[N@H+](C)C1CC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009119	0	46	0.0	-65.11	374.13	-0.56	-65.67
CC(NC(=O)C[N@@H+](C)C1CC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009119	1	46	0.0	-68.37	374.45	-0.47	-68.84
CC(NC(=O)C(C)N1CC[NH+](C)CC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009120	1	54	0.0	-70.57	416.25	-2.06	-72.63
CC(NC(=O)CC1C[NH+](C)C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009140	0	46	0.0	-68.07	376.17	-1.16	-69.23
CC(NC(=O)C1CC[N@@H+]1C1CCCC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009144	0	53	0.0	-69.37	413.25	0.73	-68.64
CC(NC(=O)C1CC[N@H+]1C1CCCC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009144	1	53	0.0	-70.89	415.30	0.97	-69.92
CC(NC(=O)C1CC[N@@H+]1C(C)(C)C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009151	0	52	0.0	-63.23	406.10	-0.23	-63.46
CC(NC(=O)C1CC[N@H+]1C(C)(C)C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009151	1	52	0.0	-63.52	405.41	-0.25	-63.77
CC(NC(=O)[C@H](C)[NH+](C)C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009163	0	45	0.0	-69.42	363.28	-1.49	-70.91
CCC1CCC[N@H+](CC(=O)NC(C)C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030009204	0	55	0.0	-71.57	418.64	1.27	-70.30
CCC1CCC[N@@H+](CC(=O)NC(C)C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030009204	1	55	0.0	-71.52	426.12	1.27	-70.25
CC(NC(=O)C1=CC=C(C[NH+](C)C)N1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009212	0	50	0.0	-79.39	411.93	-0.45	-79.84
CC(NC(=O)CC1CC2CCC(C1)[NH+]2C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009223	0	56	0.0	-71.25	411.02	0.56	-70.69
CC(NC(=O)CN1C=CSC1=[NH2+])C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009260	0	42	0.0	-67.07	372.24	-1.69	-68.76
CC(NC(=O)CC[N@H+](C)CCO)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009270	0	49	0.0	-69.03	395.17	-3.99	-73.02
CC(NC(=O)CC[N@@H+](C)CCO)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009270	1	49	0.0	-71.79	395.60	-3.91	-75.70
CC(NC(=O)[C@H](C)[NH+](C)C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009271	0	45	0.0	-69.42	363.28	-1.49	-70.91
CC(NC(=O)[C@H]1CCCC[N@@H+]1C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009275	0	49	0.0	-65.05	386.65	-0.38	-65.43
CC(NC(=O)[C@H]1CCCC[N@H+]1C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009275	1	49	0.0	-68.94	377.74	-0.42	-69.36
CC(NC(=O)C1C[N@@H+]2CCN1CC2C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009282	0	52	0.0	-75.06	396.44	-3.02	-78.08
CC(NC(=O)C1C[N@H+]2CCN1CC2C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009282	1	52	0.0	-74.67	398.19	-2.92	-77.59
CC(NC(=O)CC1=CC2=C[NH+]=CN2C=C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009335	0	47	0.0	-70.25	399.72	2.29	-67.96
CC(NC(=O)C[N@H+](C)C1CCSC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009359	0	50	0.0	-72.01	403.96	0.28	-71.73
CC(NC(=O)C[N@@H+](C)C1CCSC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009359	1	50	0.0	-76.56	404.81	0.35	-76.21
CC(NC(=O)C1=CC=NC(C[NH+](C)C)=C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009391	1	51	0.0	-71.38	419.46	0.14	-71.24
CC(NC(=O)C=C1CC[N@H+](C)C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009392	0	47	0.0	-71.69	383.35	-0.41	-72.10
CC(NC(=O)C=C1CC[N@@H+](C)C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009392	1	47	0.0	-74.20	382.56	-0.25	-74.45
CC(NC(=O)C1C[NH+](C2CCCCC2)C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009415	0	56	0.0	-68.76	437.10	1.35	-67.41
CC(NC(=O)COCC[NH+](C)C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009427	0	49	0.0	-70.83	401.18	-0.82	-71.65
CCCCC[N@H+](C)CCC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009434	0	57	0.0	-73.98	449.76	1.63	-72.35
CCCCC[N@@H+](C)CCC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009434	1	57	0.0	-70.30	449.31	1.56	-68.74
CC(NC(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009443	0	53	0.0	-71.34	423.83	0.11	-71.23
C=CCC(C)(C(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030009453	0	52	0.0	-64.18	396.47	-0.16	-64.34
CC(NC(=O)C(O)CC[S+](C)C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009458	0	48	0.0	-67.11	409.57	-2.31	-69.42
CC(NC(=O)C1CN(C)CC[N@H+](C)C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009499	0	54	0.0	-69.07	416.56	-2.13	-71.20
CC(NC(=O)C1CN(C)CC[N@@H+](C)C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009499	1	54	0.0	-69.07	416.56	-2.13	-71.20
CC(NC(=O)C(C)N1CCCC(O)C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009500	0	53	0.0	-68.12	416.02	-2.99	-71.11
CC(NC(=O)C(C)[N@@H+]1CCCC(O)C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009500	1	53	0.0	-65.14	415.38	-3.07	-68.21
CC(NC(=O)C(C)[N@H+]1CCCC(O)C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009500	1	53	0.0	-65.14	415.38	-3.07	-68.21
CC(NC(=O)CN1CCC(CO)CC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009514	0	53	0.0	-69.03	418.51	-2.78	-71.81
CC(NC(=O)C[NH+]1CCC(CO)CC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009514	1	53	0.0	-69.03	418.51	-2.78	-71.81
CC(NC(=O)CC1(O)CCC[N@H+](C)C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009524	0	53	0.0	-65.94	405.29	-1.84	-67.78
CC(NC(=O)CC1(O)CCC[N@@H+](C)C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009524	1	53	0.0	-65.94	405.29	-1.84	-67.78
CC(NC(=O)CN1CC(C)C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009528	0	46	0.0	-67.42	374.77	-0.82	-68.24
CC(NC(=O)C[NH+]1CC(C)C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009528	1	46	0.0	-67.42	374.77	-0.82	-68.24
CC(NC(=O)CN1CCC(C(N)=O)CC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009532	0	53	0.0	-84.52	423.35	-3.33	-87.85
CC(NC(=O)C[NH+]1CCC(C(N)=O)CC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009532	1	53	0.0	-84.52	423.35	-3.33	-87.85
CC(NC(=O)CN(C)CCO)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009556	0	46	0.0	-71.89	373.40	-4.45	-76.34
CC(NC(=O)C[N@H+](C)CCO)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009556	1	46	0.0	-67.64	372.55	-4.55	-72.19
CC(NC(=O)C[N@@H+](C)CCO)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009556	1	46	0.0	-67.64	372.55	-4.55	-72.19
CC(NC(=O)C=C1CC2CCC(C1)[NH+]2C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009575	0	54	0.0	-67.81	417.76	0.97	-66.84
CC(NC(=O)C1C[N@@H+]2CCN1CCC2)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009579	0	52	0.0	-78.30	391.99	-2.04	-80.34
CC(NC(=O)C1C[N@H+]2CCN1CCC2)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009579	1	52	0.0	-78.30	391.99	-2.04	-80.34
CC[N@@H+]1CCCC(C(=O)NC(C)C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030009585	0	52	0.0	-63.05	400.04	0.51	-62.54
CC[N@H+]1CCCC(C(=O)NC(C)C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030009585	1	52	0.0	-63.05	400.04	0.51	-62.54
CC(CC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030009587	0	51	0.0	-72.69	402.33	0.12	-72.57
CC[N@H+](C)CC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009602	0	45	0.0	-71.07	362.41	-1.14	-72.21
CC[N@H+](CC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030009652	0	49	0.0	-68.42	391.22	0.13	-68.29
CC[NH+](CC)CCC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009671	0	51	0.0	-71.82	398.91	-0.24	-72.06
CC(NC(=O)CCCC[NH+]1CCCCC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009707	0	58	0.0	-69.01	451.72	2.02	-66.99
CC(NC(=O)CN1CCC(C)(O)C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009733	0	50	0.0	-70.71	400.64	-3.41	-74.12
CC(NC(=O)C[N@@H+]1CCC(C)(O)C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009733	1	50	0.0	-66.67	400.51	-3.53	-70.20
CC(NC(=O)C[N@H+]1CCC(C)(O)C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009733	1	50	0.0	-66.67	400.51	-3.53	-70.20
CC(NC(=O)C=CC[NH+](C)C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009742	0	46	0.0	-71.01	381.94	-0.72	-71.73
CC(OCC[NH+](C)C)C(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009759	0	52	0.0	-68.01	420.38	-0.23	-68.24
CC(NC(=O)CCOCC[NH+](C)C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009770	0	52	0.0	-71.14	422.13	-1.09	-72.23
COCCN(C)CC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009771	0	49	0.0	-67.57	394.80	-2.14	-69.71
COCC[N@H+](C)CC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009771	1	49	0.0	-72.09	395.65	-2.06	-74.15
COCC[N@@H+](C)CC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009771	1	49	0.0	-72.09	395.65	-2.06	-74.15
COCCCC[N@H+](C)CCC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009795	0	58	0.0	-73.07	461.48	-0.15	-73.22
COCCCC[N@@H+](C)CCC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009795	1	58	0.0	-73.07	461.48	-0.15	-73.22
CC(CCC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030009818	0	51	0.0	-73.72	398.66	-0.16	-73.88
CCN1CCC1C(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009828	0	46	0.0	-66.23	376.16	-0.99	-67.22
CC[N@@H+]1CCC1C(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009828	1	46	0.0	-69.05	369.66	-1.21	-70.26
CC[N@H+]1CCC1C(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009828	1	46	0.0	-69.05	369.66	-1.21	-70.26
CC(C)[N@@H+]1CCCC(C(=O)NC(C)C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030009838	0	55	0.0	-60.80	417.14	1.03	-59.77
CC(C)[N@H+]1CCCC(C(=O)NC(C)C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030009838	1	55	0.0	-60.80	417.14	1.03	-59.77
CC(NC(=O)C[N@@H+]1CCCC1CO)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009851	0	50	0.0	-64.74	390.27	-3.41	-68.15
CC(NC(=O)C[N@H+]1CCCC1CO)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009851	1	50	0.0	-65.73	399.52	-3.43	-69.16
CC(NC(=O)C1CC2CCCC[N@@H+]2C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009872	0	53	0.0	-65.98	412.36	0.69	-65.29
CC(NC(=O)C1CC2CCCC[N@H+]2C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009872	1	53	0.0	-64.46	411.14	0.77	-63.69
CC(NC(=O)C1=CC(C[NH+](C)C)=CN1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009879	0	50	0.0	-72.34	411.09	-0.71	-73.05
CC(NC(=O)C(C)[NH+]1CCC(O)CC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009893	1	53	0.0	-66.95	415.60	-3.08	-70.03
C=CCC(C(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030009907	0	49	0.0	-63.45	387.76	-0.52	-63.97
CC(NC(=O)C1CC(C)(C)C[N@@H+]1C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009919	0	52	0.0	-66.97	404.45	-0.36	-67.33
CC(NC(=O)C1CC(C)(C)C[N@H+]1C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009919	1	52	0.0	-63.32	410.37	0.07	-63.25
CC(NC(=O)CCCCC[NH+](C)C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009924	0	54	0.0	-72.49	432.18	1.03	-71.46
CC(NC(=O)C[NH+]1CC2CC2C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009934	0	47	0.0	-71.11	380.51	0.01	-71.10
CC(NC(=O)C1C[N@@H+]2CCN1C(C)C2)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009965	0	52	0.0	-73.88	397.40	-2.93	-76.81
CC(NC(=O)C1C[N@H+]2CCN1C(C)C2)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009965	1	52	0.0	-67.01	386.15	-2.59	-69.60
CCCC(C(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030009966	0	51	0.0	-67.44	398.83	-0.05	-67.49
CC(NC(=O)C1CCCC[N@@H+]1C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010013	0	49	0.0	-63.41	386.05	-0.36	-63.77
CC(NC(=O)C1CCCC[N@H+]1C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010013	1	49	0.0	-68.93	377.97	-0.45	-69.38
CC(NC(=O)CC1=CC[N@H+](C)CC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010057	0	50	0.0	-70.45	404.25	0.47	-69.98
CC(NC(=O)CC1=CC[N@@H+](C)CC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010057	1	50	0.0	-66.98	403.65	0.35	-66.63
CC(NC(=O)CC1([NH+]2CCCC2)CC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010065	0	53	0.0	-64.40	409.79	0.76	-63.64
CC(NC(=O)C1=CC=C(CN(C)C)O1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010117	0	49	0.0	-73.65	409.21	-0.18	-73.83
CC(NC(=O)C1=CC=C(C[NH+](C)C)O1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010117	1	49	0.0	-73.65	409.21	-0.18	-73.83
CC(NC(=O)C=CC[NH+]1CCCC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010135	0	50	0.0	-73.65	407.62	0.54	-73.11
CC(NC(=O)C1CC[NH+](C2CC2)CC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010158	0	53	0.0	-68.61	414.10	0.89	-67.72
CC(NC(=O)CC[NH+]1CCCC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010176	0	49	0.0	-68.71	391.44	-0.37	-69.08
CC(NC(=O)C[N@@H+]1CC2CCC1C2)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010235	0	50	0.0	-69.28	391.82	0.23	-69.05
CC(C)[NH+]1CCC(CC(=O)NC(C)C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030010246	0	58	0.0	-68.82	439.18	1.43	-67.39
CC(NC(=O)C=C1C[NH+]2CCC1CC2)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010290	0	51	0.0	-68.19	401.46	0.51	-67.68
CC(C[NH+](C)C)C(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010348	0	48	0.0	-68.76	383.13	-0.68	-69.44
CC(NC(=O)CC1CCCC[N@@H+]1C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010431	0	52	0.0	-73.04	404.57	0.31	-72.73
CC(NC(=O)CC1CCCC[N@H+]1C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010431	1	52	0.0	-73.04	404.57	0.31	-72.73
CC1=C2C=C(C(=O)NC(C)C3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=N1	REAL300030010448	0	47	0.0	-69.79	397.07	2.11	-67.68
CC1=C2C=C(C(=O)NC(C)C3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030010448	1	47	0.0	-69.79	397.07	2.11	-67.68
CC(NC(=O)C(C)N1CC(C)C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010449	0	49	0.0	-64.89	393.44	-0.31	-65.20
CC(NC(=O)C(C)[NH+]1CC(C)C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010449	1	49	0.0	-64.89	393.44	-0.31	-65.20
CC(NC(=O)CN1CCC1C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010453	0	46	0.0	-70.00	376.00	-0.74	-70.74
CC(NC(=O)C[N@@H+]1CCC1C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010453	1	46	0.0	-65.22	369.87	-1.17	-66.39
CC(NC(=O)C[N@H+]1CCC1C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010453	1	46	0.0	-65.22	369.87	-1.17	-66.39
CC(NC(=O)CC(O)C[NH+](C)C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010457	0	49	0.0	-75.65	397.91	-2.87	-78.52
CC(NC(=O)C1CN(C)CC(C)O1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010487	0	50	0.0	-79.30	397.20	-0.72	-80.02
CC(NC(=O)C1C[N@H+](C)CC(C)O1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010487	1	50	0.0	-79.26	396.96	-0.68	-79.94
CC(NC(=O)C1C[N@@H+](C)CC(C)O1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010487	1	50	0.0	-79.26	396.96	-0.68	-79.94
CC(NC(=O)CC[NH+]1CCC(O)CC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010498	0	53	0.0	-72.06	419.35	-2.93	-74.99
CCC[N@@H+]1CCCCC1C(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010501	0	55	0.0	-67.22	426.61	1.10	-66.12
CCC[N@H+]1CCCCC1C(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010501	1	55	0.0	-67.22	426.61	1.10	-66.12
CC[NH+]1CCN(CCC(=O)NC(C)C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030010506	0	57	0.0	-69.32	443.32	-1.33	-70.65
CCN1CC[NH+](CCC(=O)NC(C)C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030010506	1	57	0.0	-69.32	443.32	-1.33	-70.65
CC(NC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010509	0	56	0.0	-62.96	419.50	1.51	-61.45
CC(NC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010509	1	56	0.0	-62.96	419.50	1.51	-61.45
CC(C)C[NH+]1CCC(C(=O)NC(C)C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030010550	0	58	0.0	-73.92	446.47	1.89	-72.03
CC(NC(=O)CN1CCC([NH+](C)C)CC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010569	0	57	0.0	-68.77	438.02	-1.28	-70.05
CC(NC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010589	0	49	0.0	-69.73	394.47	-0.25	-69.98
CC(CC[NH+](C)C)C(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010597	0	51	0.0	-69.46	404.76	-0.07	-69.53
CC(NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010625	0	53	0.0	-69.16	416.33	-2.68	-71.84
CC(NC(=O)CN1CCN(C)CC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010637	0	51	0.0	-68.15	403.71	-2.48	-70.63
CC(NC(=O)CN1CC[NH+](C)CC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010637	1	51	0.0	-68.15	403.71	-2.48	-70.63
CC(NC(=O)CSC(N)=[NH2+])C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010672	0	40	0.0	-72.60	353.85	-5.02	-77.62
CC[N@H+]1CCOCC1CC(=O)NC(C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010713	1	53	0.0	-74.51	412.91	-1.38	-75.89
CC(NC(=O)CC[NH+]1C(C)CCCC1C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010729	0	58	0.0	-65.54	435.30	1.12	-64.42
CC(NC(=O)C1CCC([NH+](C)C)CC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010732	0	55	0.0	-67.70	416.99	0.71	-66.99
CC(NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010736	0	55	0.0	-68.40	417.11	0.87	-67.53
CC(NC(=O)CC1CC=CC[N@@H+]1C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010737	0	50	0.0	-63.51	390.69	0.02	-63.49
CC(NC(=O)CC1CC=CC[N@H+]1C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010737	1	50	0.0	-73.99	395.86	0.25	-73.74
CC(NC(=O)[C@@H](C)OCC[NH+](C)C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010761	0	52	0.0	-67.94	420.35	-0.24	-68.18
CC(NC(=O)C1CC2CCC(C1)[NH+]2C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010789	0	53	0.0	-68.06	380.13	0.23	-67.83
CC(NC(=O)C1C[NH+](C2CCOCC2)C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010909	0	54	0.0	-76.19	428.43	-0.93	-77.12
CC(NC(=O)[C@@H]1CCC[N@@H+]1C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010919	0	46	0.0	-67.30	364.22	-1.42	-68.72
CC(NC(=O)[C@@H]1CCC[N@H+]1C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010919	1	46	0.0	-63.81	370.37	-1.03	-64.84
CC(NC(=O)CC[N@@H+]1CCC(F)C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010928	0	49	0.0	-72.72	398.30	-0.22	-72.94
CC(NC(=O)CC[N@H+]1CCC(F)C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010928	1	49	0.0	-75.55	399.37	-0.09	-75.64
CC(NC(=O)CC[NH+]1CCCCCC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010948	0	55	0.0	-69.48	418.74	0.63	-68.85
CC(NC(=O)C[NH+]1CCCCC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010950	0	49	0.0	-66.74	386.82	-0.07	-66.81
CC(NC(=O)C1CC[N@H+](C)C1C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010958	0	49	0.0	-65.40	385.79	-0.77	-66.17
CC(NC(=O)C1CC[N@@H+](C)C1C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010958	1	49	0.0	-71.02	381.24	-0.96	-71.98
CC(NC(=O)CCC1CCCC[N@@H+]1C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010960	0	55	0.0	-67.56	425.81	0.95	-66.61
CC(NC(=O)CCC1CCCC[N@H+]1C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010960	1	55	0.0	-70.14	426.67	1.04	-69.10
CC(NC(=O)C1CC[N@@H+]2CCOCC12)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010988	0	51	0.0	-69.26	400.44	-1.56	-70.82
CC(NC(=O)C1CC[N@H+]2CCOCC12)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010988	1	51	0.0	-69.37	403.48	-1.67	-71.04
CC1=[NH+]C=C2C=CC(C(=O)NC(C)C3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300030010995	0	47	0.0	-65.15	396.31	1.31	-63.84
CC(NC(=O)CC1COCC[N@@H+]1C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030011014	1	50	0.0	-66.25	387.64	-2.28	-68.53
CC(NC(=O)CC1COCC[N@H+]1C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030011014	1	50	0.0	-76.87	395.28	-2.00	-78.87
CC1=C(C)[NH+]=C(CCC(=O)NC(C)C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030011024	1	50	0.0	-66.59	415.55	-0.60	-67.19
CC(C)C[N@@H+]1CCCC(C(=O)NC(C)C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030011036	0	58	0.0	-65.80	440.06	2.02	-63.78
CC(C)C[N@H+]1CCCC(C(=O)NC(C)C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030011036	1	58	0.0	-70.71	446.75	1.83	-68.88
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CCC[N@@H+]2C)C1	REAL300030011200	0	46	0.0	-65.56	371.85	-0.83	-66.39
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CCC[N@H+]2C)C1	REAL300030011200	1	46	0.0	-64.72	368.42	-1.02	-65.74
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2C[N@H+](C)CCO2)C1	REAL300030011226	1	47	0.0	-71.37	372.30	-1.71	-73.08
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2C[N@@H+](C)CCO2)C1	REAL300030011226	1	47	0.0	-69.97	374.38	-1.69	-71.66
CC1=[NH+]C=CN1CCCC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030011395	1	50	0.0	-66.26	417.70	1.06	-65.20
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300030011399	1	56	0.0	-72.53	445.00	-0.25	-72.78
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=C(C[NH+](C)C)C=C2)C1	REAL300030011405	0	52	0.0	-74.25	420.17	1.17	-73.08
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CC[NH+]2CCOCC2)C1	REAL300030011406	1	50	0.0	-71.73	402.00	-1.83	-73.56
CCC[NH+](CCC)CCCC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030011429	0	60	0.0	-69.53	464.82	2.08	-67.45
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300030011445	0	50	0.0	-62.98	386.35	-0.27	-63.25
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300030011463	1	44	0.0	-80.60	372.20	1.39	-79.21
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CCCC([NH+](C)C)C2)C1	REAL300030011535	0	55	0.0	-76.29	425.81	0.87	-75.42
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CC2CC[N@H+](C)C2)C1	REAL300030011539	0	49	0.0	-71.07	392.31	-0.25	-71.32
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CC2CC[N@@H+](C)C2)C1	REAL300030011539	1	49	0.0	-76.57	394.33	-0.18	-76.75
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=C[NH+]=CC=C2N(C)C)C1	REAL300030011552	0	48	0.0	-70.93	395.54	-1.65	-72.58
CCC(C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030011558	0	48	0.0	-65.73	377.60	-0.74	-66.47
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)C1	REAL300030011567	1	47	0.0	-73.72	404.26	-0.39	-74.11
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CCC3CC(C)C[N@@H+]3C2)C1	REAL300030011614	0	56	0.0	-72.38	435.64	1.55	-70.83
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CCC3CC(C)C[N@H+]3C2)C1	REAL300030011614	1	56	0.0	-66.11	431.65	1.28	-64.83
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CCCC[NH+](C)C)C1	REAL300030011644	0	51	0.0	-70.62	412.10	0.29	-70.33
CC(C)C(C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030011667	0	51	0.0	-65.58	388.73	-0.01	-65.59
CCC[N@H+](C)CCC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030011669	0	51	0.0	-69.86	408.33	0.13	-69.73
CCC[N@@H+](C)CCC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030011669	1	51	0.0	-69.81	408.34	0.12	-69.69
CCC[N@H+](C)CC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030011675	0	48	0.0	-67.83	385.97	-0.44	-68.27
CCC[N@@H+](C)CC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030011675	1	48	0.0	-68.04	385.80	-0.44	-68.48
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300030011704	0	50	0.0	-71.70	382.28	-0.92	-72.62
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300030011704	1	50	0.0	-76.25	383.39	-0.81	-77.06
CCCCCC[N@H+](C)CC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030011748	0	57	0.0	-68.97	450.47	1.90	-67.07
CCCCCC[N@@H+](C)CC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030011748	1	57	0.0	-75.11	450.85	2.01	-73.10
CC[NH+](CC)C(C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300030011756	0	57	0.0	-61.29	418.75	1.08	-60.21
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[NH+]2CCC(C)CC2)C1	REAL300030011795	0	52	0.0	-74.12	409.42	0.77	-73.35
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300030011823	1	47	0.0	-80.51	401.15	-0.58	-81.09
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)COC2CC[NH+](C)CC2)C1	REAL300030011832	0	53	0.0	-73.95	426.65	0.30	-73.65
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300030011898	0	53	0.0	-67.30	413.61	0.86	-66.44
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300030011898	1	53	0.0	-71.41	413.98	0.93	-70.48
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2(C[NH+](C)C)CC2)C1	REAL300030011911	0	49	0.0	-67.52	396.90	-0.18	-67.70
CC1=[NH+]C=C2CCC(C(=O)N3CC(O)(C(C)NC(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300030011912	1	51	0.0	-62.83	411.52	0.65	-62.18
CC(C)[NH+]1CCC(C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030011924	0	55	0.0	-76.80	417.25	0.73	-76.07
CC[N@H+](C)CCC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030011957	0	48	0.0	-69.15	386.84	-0.62	-69.77
CC[N@@H+](C)CCC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030011957	1	48	0.0	-69.16	386.84	-0.63	-69.79
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C(C)(C)[NH+]2CCCCC2)C1	REAL300030011988	0	55	0.0	-63.54	410.27	1.00	-62.54
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300030012006	0	50	0.0	-72.20	385.99	-0.13	-72.33
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CC[NH+](C)CC2)C1	REAL300030012097	0	49	0.0	-79.49	389.10	-0.29	-79.78
CC(C)[C@H](C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030012118	0	51	0.0	-64.73	389.35	-0.38	-65.11
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CC[NH+](CC3CC3)CC2)C1	REAL300030012203	0	56	0.0	-79.58	438.28	1.92	-77.66
CC[NH+](CC)CC(F)C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030012248	0	51	0.0	-75.10	404.56	-0.04	-75.14
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=C(C[NH+](C)C)C=CS2)C1	REAL300030012249	0	49	0.0	-62.71	407.43	0.66	-62.05
CC(C)C[N@@H+]1CCC(C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030012291	0	55	0.0	-74.04	431.09	1.19	-72.85
CC(C)C[N@H+]1CCC(C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030012291	1	55	0.0	-68.62	432.41	1.12	-67.50
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2([NH+](C)C)CCC2)C1	REAL300030012295	0	49	0.0	-67.15	376.73	-0.62	-67.77
CCC(C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030012330	0	54	0.0	-61.89	411.03	0.37	-61.52
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[N@@H+]2CCCC2C)C1	REAL300030012358	0	49	0.0	-70.31	385.99	-0.40	-70.71
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[N@H+]2CCCC2C)C1	REAL300030012358	1	49	0.0	-64.74	385.26	-0.51	-65.25
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030012442	1	53	0.0	-62.68	432.19	1.30	-61.38
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C(C)[NH+]2CCCCCC2)C1	REAL300030012449	0	55	0.0	-69.33	417.20	0.62	-68.71
CC(C)[N@@H+]1CCCCC1C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030012451	0	55	0.0	-63.02	410.66	0.49	-62.53
CC(C)[N@H+]1CCCCC1C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030012451	1	55	0.0	-61.67	419.47	0.67	-61.00
CC(C)[N@@H+]1CCCC1C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030012481	0	52	0.0	-70.79	398.10	0.57	-70.22
CC(C)[N@H+]1CCCC1C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030012481	1	52	0.0	-63.31	405.92	0.24	-63.07
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C(CN2C=CC=N2)[NH+](C)C)C1	REAL300030012487	1	52	0.0	-72.08	418.46	-0.12	-72.20
CC(C)[N@@H+]1CCCC1CC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030012492	0	55	0.0	-62.35	415.45	0.22	-62.13
CC(C)[N@H+]1CCCC1CC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030012492	1	55	0.0	-67.07	417.54	0.32	-66.75
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1	REAL300030012493	0	56	0.0	-72.70	417.45	2.16	-70.54
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CCC[N@H+]2C2CCCC2)C1	REAL300030012493	1	56	0.0	-64.38	431.82	1.50	-62.88
CC(C)[C@@H](C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030012514	0	51	0.0	-73.14	392.99	0.10	-73.04
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[N@@H+]2CCC(C)C2)C1	REAL300030012543	0	49	0.0	-66.71	391.89	-0.16	-66.87
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[N@H+]2CCC(C)C2)C1	REAL300030012543	1	49	0.0	-73.16	393.26	-0.01	-73.17
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2(F)CC[N@@H+](C(C)(C)C)C2)C1	REAL300030012544	0	55	0.0	-68.84	426.99	0.51	-68.33
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2(F)CC[N@H+](C(C)(C)C)C2)C1	REAL300030012544	1	55	0.0	-65.54	426.72	0.39	-65.15
CC1=[NH+]C=C2CC(C(=O)N3CC(O)(C(C)NC(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300030012546	1	51	0.0	-73.29	411.48	0.81	-72.48
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1	REAL300030012549	0	52	0.0	-67.43	411.25	0.38	-67.05
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1	REAL300030012549	1	52	0.0	-66.88	411.94	0.39	-66.49
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[N@H+](C)CC(C)(C)C)C1	REAL300030012550	0	54	0.0	-73.61	416.91	0.82	-72.79
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[N@@H+](C)CC(C)(C)C)C1	REAL300030012550	1	54	0.0	-73.92	415.17	0.63	-73.29
CC[C@@H](C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030012561	0	48	0.0	-71.68	379.21	-0.55	-72.23
CC(COCC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300030012569	0	56	0.0	-66.97	445.37	0.95	-66.02
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CCN(C)C2=CC=[NH+]C=C2)C1	REAL300030012722	0	51	0.0	-71.68	422.07	-0.09	-71.77
CC1=[NH+]C=CN1CC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030012837	1	44	0.0	-70.38	376.73	-0.15	-70.53
CC(C[NH+]1CCOCC1)C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030012839	0	53	0.0	-70.52	419.56	-1.17	-71.69
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CCC[NH+]2CCCCC2)C1	REAL300030012861	0	55	0.0	-75.50	432.84	1.49	-74.01
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=NOC(C[NH+](C)C)=C2)C1	REAL300030012882	1	48	0.0	-80.64	402.71	-0.67	-81.31
CC1=C(C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300030012884	0	47	0.0	-69.24	398.92	1.89	-67.35
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030012929	1	50	0.0	-69.11	413.09	0.97	-68.14
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300030012979	0	53	0.0	-63.75	398.29	0.37	-63.38
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300030012979	1	53	0.0	-67.21	409.30	0.84	-66.37
CC[N@@H+]1CCOC(C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030013012	1	50	0.0	-73.45	399.42	-0.88	-74.33
CC[N@H+]1CCOC(C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030013012	1	50	0.0	-85.14	397.64	-0.77	-85.91
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300030013081	0	44	0.0	-75.15	372.43	1.39	-73.76
CC1=C[NH+]=CN1CC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030013086	1	44	0.0	-68.11	376.50	0.50	-67.61
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CN(CC[NH+](C)C)N=C2)C1	REAL300030013090	0	52	0.0	-81.69	426.81	-0.62	-82.31
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=NN(CC[NH+](C)C)C=C2)C1	REAL300030013104	0	52	0.0	-86.89	429.91	-0.21	-87.10
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	REAL300030013110	0	49	0.0	-70.70	382.60	-0.87	-71.57
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	REAL300030013110	1	49	0.0	-75.78	385.97	-0.08	-75.86
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030013113	1	53	0.0	-68.97	432.79	1.51	-67.46
CC[C@@H]1[C@@H](C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030013116	0	52	0.0	-69.56	402.78	-0.20	-69.76
CC[C@@H]1[C@@H](C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030013116	1	52	0.0	-75.28	408.18	0.26	-75.02
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[NH+]2C(C)CCC2C)C1	REAL300030013136	0	52	0.0	-64.02	403.90	0.16	-63.86
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CCC[NH+]2CCCC2)C1	REAL300030013143	0	52	0.0	-75.29	417.16	0.77	-74.52
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=CC(C[NH+](C)C)=C2)C1	REAL300030013144	0	52	0.0	-88.07	421.25	1.27	-86.80
C#CC[NH+]1CCC(C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030013152	0	51	0.0	-82.27	411.81	0.98	-81.29
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CC[NH+]2CCCCC2)C1	REAL300030013153	0	52	0.0	-75.42	411.34	0.68	-74.74
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=CC=C2C[NH+](C)C)C1	REAL300030013158	0	52	0.0	-65.56	416.66	1.42	-64.14
CC[N@@H+]1CCCCC1C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030013167	0	52	0.0	-69.76	406.39	0.44	-69.32
CC[N@H+]1CCCCC1C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030013167	1	52	0.0	-64.59	394.72	-0.03	-64.62
CC(C)C(C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300030013168	0	58	0.0	-63.59	433.61	1.84	-61.75
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C(C2=CC=CC=C2)[NH+](C)C)C1	REAL300030013171	1	52	0.0	-72.01	421.95	1.70	-70.31
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CN2C=[NH+]C3=C2CCCC3)C1	REAL300030013177	1	51	0.0	-67.05	418.17	2.21	-64.84
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2(C[NH+](C)C)CCCCC2)C1	REAL300030013220	0	58	0.0	-68.23	427.47	1.06	-67.17
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CC[N@H+](C)C2CCCCC2)C1	REAL300030013226	0	58	0.0	-76.78	445.02	1.95	-74.83
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CC[N@@H+](C)C2CCCCC2)C1	REAL300030013226	1	58	0.0	-69.61	445.15	1.76	-67.85
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CC2([NH+](C)C)CCCC2)C1	REAL300030013228	0	55	0.0	-69.76	410.60	0.58	-69.18
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[N@H+](C)C2CCC2)C1	REAL300030013451	0	49	0.0	-65.95	392.97	0.14	-65.81
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[N@@H+](C)C2CCC2)C1	REAL300030013451	1	49	0.0	-65.97	392.69	0.13	-65.84
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C(C)[NH+]2C(C)CCC2C)C1	REAL300030013482	0	55	0.0	-67.38	416.86	0.46	-66.92
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300030013499	0	55	0.0	-69.27	438.06	1.47	-67.80
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[N@H+](C)CC2=CC=CC=C2)C1	REAL300030013501	1	52	0.0	-78.44	423.85	1.86	-76.58
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)C1	REAL300030013501	1	52	0.0	-71.41	423.40	1.74	-69.67
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CC[NH+](C)CC2)C1	REAL300030013516	0	49	0.0	-79.49	389.10	-0.29	-79.78
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1	REAL300030013581	0	46	0.0	-70.44	370.83	-0.79	-71.23
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)[C@H]2CCC[N@H+]2C)C1	REAL300030013581	1	46	0.0	-66.23	365.61	-1.35	-67.58
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030013605	1	48	0.0	-65.01	392.36	-0.15	-65.16
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030013605	1	48	0.0	-66.17	396.28	0.32	-65.85
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CCC2CCC[N@@H+]2C)C1	REAL300030013614	0	52	0.0	-68.27	408.69	0.20	-68.07
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CCC2CCC[N@H+]2C)C1	REAL300030013614	1	52	0.0	-73.65	408.96	0.27	-73.38
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300030013626	0	53	0.0	-75.33	396.66	-0.10	-75.43
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300030013634	0	53	0.0	-63.97	406.50	0.60	-63.37
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300030013634	1	53	0.0	-62.59	411.66	0.99	-61.60
CCC[N@@H+]1CCCC(C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030013726	0	55	0.0	-67.32	422.19	1.22	-66.10
CCC[N@H+]1CCCC(C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030013726	1	55	0.0	-74.40	428.54	1.06	-73.34
CC(C)[N@@H+]1CCOC(C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030013748	0	53	0.0	-72.51	413.56	-0.37	-72.88
CC(C)[N@H+]1CCOC(C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030013748	1	53	0.0	-67.06	408.94	-0.52	-67.58
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1	REAL300030013767	0	56	0.0	-66.98	420.55	-1.07	-68.05
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300030013787	0	49	0.0	-71.97	377.23	-0.57	-72.54
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CCCC[N@H+]2C)C1	REAL300030013787	1	49	0.0	-65.38	375.04	-0.74	-66.12
CC(C)C[N@@H+]1CCCC1C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030013818	0	55	0.0	-65.41	424.01	0.73	-64.68
CC(C)C[N@H+]1CCCC1C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030013818	1	55	0.0	-70.43	429.26	1.36	-69.07
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300030013839	0	53	0.0	-75.06	420.25	-2.54	-77.60
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C=C2CC3CCC(C2)[NH+]3C)C1	REAL300030013876	0	54	0.0	-73.35	420.16	1.17	-72.18
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CC[N@H+](C)C2C)C1	REAL300030013895	0	49	0.0	-67.74	386.70	-0.68	-68.42
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CC[N@@H+](C)C2C)C1	REAL300030013895	1	49	0.0	-75.66	383.94	-0.47	-76.13
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CCC2CCCC[N@@H+]2C)C1	REAL300030013898	0	55	0.0	-78.77	421.00	0.96	-77.81
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CCC2CCCC[N@H+]2C)C1	REAL300030013898	1	55	0.0	-69.66	420.50	0.90	-68.76
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC3=C(CCC3)[NH+]=C2N)C1	REAL300030013936	1	49	0.0	-65.50	398.71	-0.88	-66.38
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CC[N@@H+]2C(C)(C)C)C1	REAL300030014018	0	52	0.0	-65.16	387.45	-0.75	-65.91
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CC[N@H+]2C(C)(C)C)C1	REAL300030014018	1	52	0.0	-64.07	407.88	-0.13	-64.20
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300030014042	0	45	0.0	-66.62	364.14	-1.48	-68.10
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=NC(C[NH+](C)C)=C2)C1	REAL300030014062	1	51	0.0	-69.67	416.68	-0.24	-69.91
C=CCC(C)(C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030014068	0	52	0.0	-63.17	394.49	-0.19	-63.36
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=C(N)C3=CC=CC=C3[NH+]=C2)C1	REAL300030014099	1	48	0.0	-61.32	396.01	-1.61	-62.93
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CC[NH+]2CCCC2)C1	REAL300030014103	0	49	0.0	-75.25	395.17	0.03	-75.22
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[N@H+](C)CCO)C1	REAL300030014113	1	46	0.0	-74.73	375.22	-4.31	-79.04
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[N@@H+](C)CCO)C1	REAL300030014113	1	46	0.0	-67.74	374.60	-4.42	-72.16
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300030014158	0	52	0.0	-74.47	389.50	-2.33	-76.80
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300030014158	1	52	0.0	-73.71	391.71	-2.27	-75.98
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C(C)[NH+]2CCSCC2)C1	REAL300030014189	1	50	0.0	-68.34	399.90	-0.12	-68.46
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CC2=CC[N@H+](C)CC2)C1	REAL300030014237	0	50	0.0	-72.83	405.99	0.62	-72.21
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CC2=CC[N@@H+](C)CC2)C1	REAL300030014237	1	50	0.0	-70.88	405.73	0.63	-70.25
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C(O)CC[S+](C)C)C1	REAL300030014254	0	48	0.0	-70.07	407.22	-2.36	-72.43
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2(C)CC(O)C[N@@H+]2C)C1	REAL300030014278	0	50	0.0	-70.03	383.96	-3.89	-73.92
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2(C)CC(O)C[N@H+]2C)C1	REAL300030014278	1	50	0.0	-82.09	386.98	-4.00	-86.09
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CN(C)CC[N@H+](C)C2)C1	REAL300030014294	0	54	0.0	-67.36	412.40	-1.97	-69.33
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CN(C)CC[N@@H+](C)C2)C1	REAL300030014294	1	54	0.0	-72.59	420.65	-2.17	-74.76
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C(C)[N@@H+]2CCCC(O)C2)C1	REAL300030014295	0	53	0.0	-71.95	416.26	-2.65	-74.60
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C(C)[N@H+]2CCCC(O)C2)C1	REAL300030014295	1	53	0.0	-65.54	416.30	-2.98	-68.52
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=C(N)[NH+]=CC3=C2CCC3)C1	REAL300030014329	0	49	0.0	-65.01	407.12	-1.06	-66.07
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CC2(O)CCC[N@H+](C)C2)C1	REAL300030014336	0	53	0.0	-74.17	404.79	-1.50	-75.67
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CC2(O)CCC[N@@H+](C)C2)C1	REAL300030014336	1	53	0.0	-65.38	407.33	-1.66	-67.04
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[NH+]2CC(C)C2)C1	REAL300030014343	1	46	0.0	-74.17	378.63	-0.67	-74.84
CC[N@@H+]1CCCC(C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030014351	0	52	0.0	-67.34	409.56	0.35	-66.99
CC[N@H+]1CCCC(C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030014351	1	52	0.0	-73.71	406.98	0.28	-73.43
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CC2=CC=C[NH+]=C2N)C1	REAL300030014361	0	45	0.0	-65.54	380.98	-2.03	-67.57
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300030014376	0	50	0.0	-62.45	399.93	0.41	-62.04
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300030014376	1	50	0.0	-64.81	396.44	-0.06	-64.87
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300030014429	0	50	0.0	-77.30	407.04	0.60	-76.70
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300030014458	0	53	0.0	-76.78	418.43	1.12	-75.66
CC[N@H+](C)CC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030014511	0	45	0.0	-73.54	364.87	-1.06	-74.60
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CN2CC3C=CC2C3)C1	REAL300030014578	0	48	0.0	-65.51	386.02	0.13	-65.38
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300030014578	1	48	0.0	-72.01	386.58	0.21	-71.80
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300030014578	1	48	0.0	-72.01	386.58	0.21	-71.80
CC1=CC=C(NCCC(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)N=C1	REAL300030014603	0	51	0.0	-70.57	426.20	-0.36	-70.93
CC1=CC=C(NCCC(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)[NH+]=C1	REAL300030014603	1	51	0.0	-70.57	426.20	-0.36	-70.93
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300030014736	0	53	0.0	-68.11	396.77	0.45	-67.66
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C23CCC[N@H+]2CCCC3)C1	REAL300030014736	1	53	0.0	-68.11	396.77	0.45	-67.66
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300030014747	0	51	0.0	-62.73	390.29	0.06	-62.67
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300030014747	1	51	0.0	-62.73	390.29	0.06	-62.67
CC(OCC[NH+](C)C)C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030014759	0	52	0.0	-67.31	417.81	-0.24	-67.55
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CCOCC[NH+](C)C)C1	REAL300030014771	0	52	0.0	-74.87	424.16	-0.95	-75.82
COCCN(C)CC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030014773	0	49	0.0	-67.53	396.85	-2.02	-69.55
COCC[N@H+](C)CC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030014773	1	49	0.0	-75.02	397.47	-1.90	-76.92
COCC[N@@H+](C)CC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030014773	1	49	0.0	-75.02	397.47	-1.90	-76.92
CC(CCC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030014780	0	51	0.0	-68.41	404.09	-0.10	-68.51
CC[N@H+](CC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030014816	0	49	0.0	-70.83	392.89	0.30	-70.53
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2C[N@@H+]3CCN2C(C)C3)C1	REAL300030014836	0	52	0.0	-73.37	389.74	-1.77	-75.14
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C23CC(C2)C[N@@H+]3C)C1	REAL300030014871	0	47	0.0	-76.34	374.82	-0.59	-76.93
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C23CC(C2)C[N@H+]3C)C1	REAL300030014871	1	47	0.0	-77.13	375.48	-0.58	-77.71
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030014881	1	49	0.0	-74.26	412.05	-1.12	-75.38
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300030014890	0	50	0.0	-71.67	394.01	0.34	-71.33
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300030014890	1	50	0.0	-71.90	393.60	0.33	-71.57
CC(C)[NH+]1CCC(CC(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030014906	0	58	0.0	-71.39	440.70	1.62	-69.77
CC(C[NH+](C)C)C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030014920	0	48	0.0	-69.32	382.52	-0.80	-70.12
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2([NH+](C)C)CC2)C1	REAL300030014940	0	46	0.0	-76.54	371.38	-0.88	-77.42
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)[C@@H](C)[NH+](C)C)C1	REAL300030014970	0	45	0.0	-71.67	365.58	-1.37	-73.04
CC[N@@H+]1CCC1C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030014981	1	46	0.0	-73.73	378.79	-0.78	-74.51
CC[N@H+]1CCC1C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030014981	1	46	0.0	-73.52	378.26	-0.69	-74.21
CC(C)[N@@H+]1CCCC(C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030014995	0	55	0.0	-62.10	416.55	0.91	-61.19
CC(C)[N@H+]1CCCC(C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030014995	1	55	0.0	-72.53	423.42	0.85	-71.68
CCC(C)(C)[NH2+]C(C)C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030015017	0	54	0.0	-64.44	409.51	-1.48	-65.92
C#CC[N@H+]1CCCCC1C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030015071	1	51	0.0	-63.44	413.74	0.93	-62.51
C#CC[N@@H+]1CCCCC1C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030015071	1	51	0.0	-64.05	400.40	0.46	-63.59
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030015075	1	48	0.0	-67.84	395.81	-1.05	-68.89
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=C[NH+]=CC=C2N)C1	REAL300030015076	0	42	0.0	-66.33	353.10	-3.82	-70.15
CCCC(C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030015088	0	51	0.0	-66.22	399.59	-0.00	-66.22
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C(C)(C)[NH+](C)C)C1	REAL300030015096	0	48	0.0	-67.02	365.23	-0.68	-67.70
CC(CC[NH+](C)C)C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030015122	0	51	0.0	-70.00	404.15	-0.19	-70.19
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1	REAL300030015182	0	56	0.0	-68.10	411.87	0.69	-67.41
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1	REAL300030015182	1	56	0.0	-60.83	422.68	1.73	-59.10
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300030015219	0	51	0.0	-62.97	401.03	0.24	-62.73
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300030015219	1	51	0.0	-64.18	390.21	1.55	-62.63
COCCCC[N@H+](C)CCC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030015264	0	58	0.0	-80.52	463.61	0.12	-80.40
COCCCC[N@@H+](C)CCC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030015264	1	58	0.0	-73.50	463.51	-0.04	-73.54
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CC(C)(C)C[N@@H+]2C)C1	REAL300030015276	0	52	0.0	-71.01	411.47	0.49	-70.52
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CC(C)(C)C[N@H+]2C)C1	REAL300030015276	1	52	0.0	-68.56	409.15	0.23	-68.33
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CCCCC[NH+](C)C)C1	REAL300030015282	0	54	0.0	-70.43	433.60	1.07	-69.36
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CC[NH+]2CCC(O)CC2)C1	REAL300030015287	0	53	0.0	-72.41	421.83	-2.76	-75.17
CCC[N@@H+]1CCCCC1C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030015293	0	55	0.0	-65.05	415.57	0.72	-64.33
CCC[N@H+]1CCCCC1C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030015293	1	55	0.0	-64.25	426.69	1.10	-63.15
CC[NH+]1CCN(CCC(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030015303	0	57	0.0	-75.82	444.69	-1.05	-76.87
CCN1CC[NH+](CCC(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030015303	1	57	0.0	-76.94	445.95	-1.09	-78.03
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CN2CC[NH+](C)CC2)C1	REAL300030015307	1	51	0.0	-69.65	405.58	-2.39	-72.04
CC(C)C[NH+]1CCC(C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030015441	0	58	0.0	-78.83	445.57	1.80	-77.03
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2C[N@H+](C)CC(C)O2)C1	REAL300030015444	1	50	0.0	-74.42	396.14	-0.80	-75.22
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2C[N@@H+](C)CC(C)O2)C1	REAL300030015444	1	50	0.0	-75.67	395.63	-0.78	-76.45
CCC1CCC[N@H+](CC(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030015480	0	55	0.0	-67.65	420.52	1.20	-66.45
CCC1CCC[N@@H+](CC(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030015480	1	55	0.0	-67.34	420.71	1.23	-66.11
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=C(C[NH+](C)C)N2)C1	REAL300030015491	0	50	0.0	-72.95	409.21	-0.74	-73.69
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300030015514	0	47	0.0	-67.31	382.20	0.03	-67.28
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CC2([NH+]3CCCC3)CC2)C1	REAL300030015533	0	53	0.0	-64.82	411.85	0.89	-63.93
CC([NH2+]C1(CO)CCCC1)C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030015551	0	56	0.0	-66.89	421.96	-4.15	-71.04
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300030015584	0	49	0.0	-71.97	377.23	-0.57	-72.54
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CCCC[N@H+]2C)C1	REAL300030015584	1	49	0.0	-65.38	375.04	-0.74	-66.12
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030015597	0	58	0.0	-73.45	439.26	1.86	-71.59
CC(C)C[N@H+]1CCCC(C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030015597	1	58	0.0	-67.26	445.09	1.65	-65.61
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CN2CCC([NH+](C)C)CC2)C1	REAL300030015663	0	57	0.0	-74.02	440.67	-1.08	-75.10
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C=C2CC[N@H+](C)C2)C1	REAL300030015737	0	47	0.0	-77.97	385.74	-0.20	-78.17
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C=C2CC[N@@H+](C)C2)C1	REAL300030015737	1	47	0.0	-72.59	383.93	-0.28	-72.87
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300030015743	0	45	0.0	-67.31	382.45	-2.58	-69.89
CC[NH+]1CCN(CC(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030015813	0	54	0.0	-73.40	423.59	-1.64	-75.04
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C=C2C[NH+]3CCC2CC3)C1	REAL300030015816	0	51	0.0	-69.51	403.58	0.65	-68.86
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2([NH+](C)C)CCCC2)C1	REAL300030015868	0	52	0.0	-68.31	384.97	0.00	-68.31
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)C1	REAL300030015885	0	53	0.0	-66.34	416.64	-2.45	-68.79
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)C1	REAL300030015885	1	53	0.0	-70.79	418.07	-2.54	-73.33
CCC1C[NH+](CC(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030015893	1	49	0.0	-75.10	399.79	0.04	-75.06
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2C[NH+](C3CCOCC3)C2)C1	REAL300030015897	0	54	0.0	-80.05	430.88	-0.75	-80.80
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300030015899	0	53	0.0	-64.37	394.59	0.53	-63.84
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1	REAL300030015915	0	46	0.0	-67.01	365.20	-1.37	-68.38
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)[C@@H]2CCC[N@H+]2C)C1	REAL300030015915	1	46	0.0	-65.27	371.58	-0.89	-66.16
CC[N@@H+]1CCOCC1CC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030015955	0	53	0.0	-75.28	410.87	-1.43	-76.71
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2C[NH+](C3CCCCC3)C2)C1	REAL300030015983	0	56	0.0	-77.83	439.37	1.59	-76.24
COC1C[N@@H+]2CCCC2(C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030016000	0	54	0.0	-66.48	417.37	-1.18	-67.66
COC1C[N@H+]2CCCC2(C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030016000	1	54	0.0	-66.48	417.37	-1.18	-67.66
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=C3NC(N)=NC3=C2)C1	REAL300030016072	0	46	0.0	-77.27	387.27	-0.97	-78.24
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=C3NC(N)=[NH+]C3=C2)C1	REAL300030016072	1	46	0.0	-77.27	387.27	-0.97	-78.24
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C1	REAL300030016121	0	49	0.0	-76.00	396.89	-0.03	-76.03
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2(CC[NH+](C)C)CCCC2)C1	REAL300030016134	0	58	0.0	-70.62	441.28	1.50	-69.12
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CC[NH+]2C(C)CCCC2C)C1	REAL300030016136	0	58	0.0	-64.89	440.74	1.29	-63.60
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CCC([NH+](C)C)CC2)C1	REAL300030016139	0	55	0.0	-64.35	416.19	0.80	-63.55
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2(CC[NH+](C)C)CC2)C1	REAL300030016140	0	52	0.0	-69.41	420.78	0.62	-68.79
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C1	REAL300030016145	0	55	0.0	-66.11	416.20	0.62	-65.49
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CC2CC=CC[N@@H+]2C)C1	REAL300030016146	0	50	0.0	-70.46	397.72	0.21	-70.25
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CC2CC=CC[N@H+]2C)C1	REAL300030016146	1	50	0.0	-78.11	397.85	0.38	-77.73
CC1=CC(C=CC(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)=C[NH+]=C1N	REAL300030016209	1	49	0.0	-77.79	412.26	-0.81	-78.60
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)COCC[NH+](C)C)C1	REAL300030016224	0	49	0.0	-74.05	403.21	-0.66	-74.71
CCCCC[N@H+](C)CCC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030016231	0	57	0.0	-77.61	451.43	1.83	-75.78
CCCCC[N@@H+](C)CCC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030016231	1	57	0.0	-70.79	451.32	1.68	-69.11
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)C1	REAL300030016245	0	53	0.0	-70.19	422.10	0.32	-69.87
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CN2C=CSC2=[NH2+])C1	REAL300030016276	0	42	0.0	-70.31	374.40	-1.59	-71.90
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)[C@@H](C)OCC[NH+](C)C)C1	REAL300030016370	0	52	0.0	-72.41	420.06	-0.02	-72.43
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CC[NH+]2CCCCCC2)C1	REAL300030016439	0	55	0.0	-77.59	421.34	0.86	-76.73
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[NH+]2CCCCC2)C1	REAL300030016443	0	49	0.0	-73.47	389.07	0.11	-73.36
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CCC[N@H+](C)C2)C1	REAL300030016445	0	49	0.0	-74.99	382.68	-0.34	-75.33
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CCC[N@@H+](C)C2)C1	REAL300030016445	1	49	0.0	-69.40	391.99	-0.22	-69.62
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300030016447	0	53	0.0	-75.06	420.25	-2.54	-77.60
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[NH+]2CCCCCC2)C1	REAL300030016453	0	52	0.0	-72.84	398.41	0.30	-72.54
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[N+]2=CN(C)C=C2)C1	REAL300030016460	0	44	0.0	-71.93	378.57	1.75	-70.18
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C(C)(C)C2CCC[N@H+](C)C2)C1	REAL300030016479	0	58	0.0	-72.11	432.39	0.75	-71.36
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C(C)(C)C2CCC[N@@H+](C)C2)C1	REAL300030016479	1	58	0.0	-72.63	425.07	0.32	-72.31
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=C(C[NH+](C)C)O2)C1	REAL300030016485	1	49	0.0	-82.64	409.15	0.08	-82.56
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=C(C[NH+](C)C)N=C2)C1	REAL300030016493	0	51	0.0	-81.27	416.40	-0.47	-81.74
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300030016512	1	50	0.0	-77.36	399.64	-3.19	-80.55
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[N@H+](C)C2CC2)C1	REAL300030016518	0	46	0.0	-71.10	376.26	-0.30	-71.40
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[N@@H+](C)C2CC2)C1	REAL300030016518	1	46	0.0	-65.04	376.02	-0.44	-65.48
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C(C)N2CC[NH+](C)CC2)C1	REAL300030016520	1	54	0.0	-69.31	419.53	-2.06	-71.37
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CC[N@@H+]2CCC(F)C2)C1	REAL300030016524	0	49	0.0	-80.58	401.63	0.03	-80.55
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CC[N@H+]2CCC(F)C2)C1	REAL300030016524	1	49	0.0	-74.13	400.84	-0.08	-74.21
COC1C[N@H+](C)C(C)(C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030016540	0	53	0.0	-66.78	409.27	-1.59	-68.37
COC1C[N@@H+](C)C(C)(C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030016540	1	53	0.0	-70.17	411.06	-1.75	-71.92
CC(CC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030016563	0	51	0.0	-70.18	404.02	0.18	-70.00
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300030016585	0	51	0.0	-65.84	400.83	-1.59	-67.43
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CC[N@H+]3CCOCC23)C1	REAL300030016585	1	51	0.0	-67.52	400.64	-1.62	-69.14
CC1=[NH+]C=C2C=CC(C(=O)N3CC(O)(C(C)NC(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300030016594	0	47	0.0	-71.47	393.86	1.16	-70.31
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CC2COCC[N@@H+]2C)C1	REAL300030016614	1	50	0.0	-80.74	397.24	-1.86	-82.60
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CC2COCC[N@H+]2C)C1	REAL300030016614	1	50	0.0	-73.05	397.16	-2.03	-75.08
CC[NH+]1CCN(CC(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030016627	0	54	0.0	-73.40	423.59	-1.64	-75.04
CC1=CC(N)=[NH+]C=C1C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030016696	1	45	0.0	-75.49	375.07	-2.41	-77.90
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CCC2=CC=C(N)[NH+]=C2)C1	REAL300030016699	0	48	0.0	-66.58	405.75	-1.34	-67.92
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[N@@H+]2CCC(C)(O)C2)C1	REAL300030016757	0	50	0.0	-72.51	402.61	-3.27	-75.78
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[N@H+]2CCC(C)(O)C2)C1	REAL300030016757	1	50	0.0	-67.76	402.74	-3.44	-71.20
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=NN2CC[NH+](C)C)C1	REAL300030016765	0	52	0.0	-68.42	421.57	-0.68	-69.10
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CC2C[NH+](C)C2)C1	REAL300030016801	0	46	0.0	-69.65	378.02	-1.02	-70.67
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300030016807	0	53	0.0	-72.24	411.59	0.71	-71.53
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300030016807	1	53	0.0	-67.30	417.21	0.92	-66.38
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[NH+](C)C)C1	REAL300030016817	0	42	0.0	-74.55	347.34	-1.77	-76.32
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CC[N@H+](C)CCO)C1	REAL300030016862	0	49	0.0	-75.76	397.05	-3.66	-79.42
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CC[N@@H+](C)CCO)C1	REAL300030016862	1	49	0.0	-75.04	397.24	-3.71	-78.75
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300030016863	0	45	0.0	-66.62	364.14	-1.48	-68.10
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CC2CCCC[N@@H+]2C)C1	REAL300030016888	0	52	0.0	-69.76	405.79	0.36	-69.40
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CC2CCCC[N@H+]2C)C1	REAL300030016888	1	52	0.0	-65.80	398.33	0.39	-65.41
CC1=C2C=C(C(=O)N3CC(O)(C(C)NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030016920	1	47	0.0	-78.31	394.64	1.96	-76.35
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C(C)[NH+]2CC(C)C2)C1	REAL300030016921	1	49	0.0	-65.09	398.30	-0.24	-65.33
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[N@@H+]2CCC2C)C1	REAL300030016927	1	46	0.0	-67.02	377.32	-0.77	-67.79
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[N@H+]2CCC2C)C1	REAL300030016927	1	46	0.0	-66.24	372.39	-0.96	-67.20
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C=CC[NH+](C)C)C1	REAL300030016947	0	46	0.0	-72.34	383.72	-0.61	-72.95
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[NH+]2CC(C)(C)C2)C1	REAL300030016962	1	49	0.0	-67.75	396.94	-0.30	-68.05
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CCCC[NH+]2CCCCC2)C1	REAL300030016976	0	58	0.0	-75.80	454.34	2.26	-73.54
CC1=C(C)[NH+]=C(CCC(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030016990	1	50	0.0	-69.51	417.78	-0.33	-69.84
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2(C3CC[NH+](C)CC3)CC2)C1	REAL300030017003	0	56	0.0	-68.98	435.05	1.78	-67.20
CC1=C2C=C(C(=O)N3CC(O)(C(C)NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030017013	1	47	0.0	-78.31	394.64	1.96	-76.35
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CSCC[NH+](C)C)C1	REAL300030017025	0	49	0.0	-80.22	414.23	0.19	-80.03
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[N@@H+]2CCCC2CO)C1	REAL300030017054	0	50	0.0	-73.24	400.25	-3.12	-76.36
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[N@H+]2CCCC2CO)C1	REAL300030017054	1	50	0.0	-64.78	391.84	-3.32	-68.10
CC[NH+](CC)CC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030017057	0	48	0.0	-65.84	382.83	-0.52	-66.36
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[N@H+](C)C2CCSC2)C1	REAL300030017068	0	50	0.0	-80.17	406.67	0.45	-79.72
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[N@@H+](C)C2CCSC2)C1	REAL300030017068	1	50	0.0	-79.08	406.68	0.47	-78.61
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[NH+]2CCC2)C1	REAL300030017070	1	43	0.0	-74.16	356.68	-1.25	-75.41
CC[NH+](CC)CCC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030017130	0	51	0.0	-75.22	405.29	0.17	-75.05
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[NH+]2CCC(C(N)=O)CC2)C1	REAL300030017155	0	53	0.0	-87.90	424.87	-3.17	-91.07
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC(C[NH+](C)C)=CN2)C1	REAL300030017209	0	50	0.0	-71.45	408.80	-0.60	-72.05
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C(C)[NH+]2CCC(O)CC2)C1	REAL300030017231	0	53	0.0	-73.98	418.27	-2.86	-76.84
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300030017239	0	51	0.0	-76.54	403.51	-1.46	-78.00
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CC3COCC[N@H+]3C2)C1	REAL300030017239	1	51	0.0	-76.58	403.40	-1.54	-78.12
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C(C)[NH+]2CCC2)C1	REAL300030017258	1	46	0.0	-65.68	372.32	-1.00	-66.68
CCC(CC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030017269	0	54	0.0	-70.53	417.76	0.64	-69.89
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C=CC2=CC=C(N)[NH+]=C2)C1	REAL300030017277	0	46	0.0	-78.73	394.44	-1.58	-80.31
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C(C)(C)C[NH+](C)C)C1	REAL300030017278	0	51	0.0	-68.14	389.34	-0.63	-68.77
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1	REAL300030017352	0	49	0.0	-65.28	387.42	-0.27	-65.55
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)[C@H]2CCCC[N@H+]2C)C1	REAL300030017352	1	49	0.0	-70.87	375.97	-0.58	-71.45
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2C[N@@H+]3CCN2CC3C)C1	REAL300030017369	0	52	0.0	-79.25	397.97	-2.84	-82.09
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2C[N@H+]3CCN2CC3C)C1	REAL300030017369	1	52	0.0	-78.69	397.92	-2.85	-81.54
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CC(O)C[NH+](C)C)C1	REAL300030017399	0	49	0.0	-80.01	399.96	-2.70	-82.71
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CC3CCC(C2)[NH+]3C)C1	REAL300030017402	0	53	0.0	-64.70	383.92	0.30	-64.40
C=CCC(C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030017451	0	49	0.0	-65.67	392.09	-0.24	-65.91
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300030017463	0	53	0.0	-67.30	413.61	0.86	-66.44
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300030017463	1	53	0.0	-71.41	413.98	0.93	-70.48
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2(C)CC[NH+](C)CC2)C1	REAL300030017477	0	52	0.0	-67.37	396.97	-0.27	-67.64
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CC2(O)CC[NH+](C)CC2)C1	REAL300030017482	0	53	0.0	-70.45	417.29	-1.50	-71.95
COCC[N@@H+]1CCCC1CC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030017498	0	56	0.0	-68.12	435.83	-0.56	-68.68
COCC[N@H+]1CCCC1CC(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030017498	1	56	0.0	-72.78	445.46	-0.28	-73.06
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CC2CC3CCC(C2)[NH+]3C)C1	REAL300030017512	0	56	0.0	-68.59	412.41	0.60	-67.99
CC(NC(=O)C1=CC=NN1CC[NH+](C)C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030017546	0	52	0.0	-66.97	423.98	-0.53	-67.50
CC(NC(=O)C1(C2CC[NH+](C)CC2)CC1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030017585	0	56	0.0	-72.98	432.73	1.67	-71.31
CC1=C2C=C(C(=O)NC(C)C3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030017596	1	47	0.0	-69.79	397.07	2.11	-67.68
CC(NC(=O)CSCC[NH+](C)C)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030017605	0	49	0.0	-75.98	412.21	0.05	-75.93
CC(NC(=O)C1CC2COCC[N@@H+]2C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030017615	0	51	0.0	-72.63	403.96	-1.58	-74.21
CC(NC(=O)C1CC2COCC[N@H+]2C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030017615	1	51	0.0	-72.65	403.88	-1.52	-74.17
CN(CCCCN(C)C(=O)C1CCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030017772	0	50	0.0	-68.64	388.20	4.83	-63.81
CN(CCCCN(C)C(=O)C1CCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030017772	1	50	0.0	-70.55	388.28	4.81	-65.74
CN(CCCCN(C)C(=O)C1C[N@H+](C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030017796	1	51	0.0	-87.48	398.94	4.30	-83.18
CN(CCCCN(C)C(=O)C1C[N@@H+](C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030017796	1	51	0.0	-82.14	397.13	4.26	-77.88
CC(C)C1=[NH+]C=CN1CCC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030017977	1	57	0.0	-70.18	450.08	7.20	-62.98
CC(C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300030017984	0	59	0.0	-70.67	431.78	6.68	-63.99
CC(C)[N@@H+]1CCCCC1C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030017986	0	59	0.0	-68.47	428.21	6.24	-62.23
CC(C)[N@H+]1CCCCC1C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030017986	1	59	0.0	-67.75	434.76	6.47	-61.28
CC(C)[N@@H+]1CCCC1C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030018016	0	56	0.0	-66.18	419.81	5.86	-60.32
CC(C)[N@H+]1CCCC1C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030018016	1	56	0.0	-71.45	415.41	6.43	-65.02
CN(CCCCN(C)C(=O)C1CC2CCCC[N@@H+]2C1)C(=O)C1=CC(=O)[N-]O1	REAL300030018040	0	57	0.0	-73.06	428.41	6.55	-66.51
CN(CCCCN(C)C(=O)C1CC2CCCC[N@H+]2C1)C(=O)C1=CC(=O)[N-]O1	REAL300030018040	1	57	0.0	-78.71	428.82	6.56	-72.15
CC(C)C1=[NH+]C=CN1CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030018071	1	54	0.0	-69.07	430.31	6.74	-62.33
CC1=[NH+]C=CN1CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030018121	1	48	0.0	-70.43	394.09	5.61	-64.82
CC(C[NH+]1CCOCC1)C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030018123	0	57	0.0	-74.64	431.33	4.48	-70.16
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCC[NH+]1CCCCC1	REAL300030018145	0	59	0.0	-76.45	449.72	7.25	-69.20
CN(CCCCN(C)C(=O)C(C)(C)[NH+]1CCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030018170	0	59	0.0	-72.90	426.81	6.26	-66.64
CN(CCCCN(C)C(=O)C1C[NH+]2CCC1CC2)C(=O)C1=CC(=O)[N-]O1	REAL300030018188	0	54	0.0	-76.94	402.64	5.54	-71.40
CN(CCCCN(C)C(=O)C1CCCC2CCC[N@@H+]21)C(=O)C1=CC(=O)[N-]O1	REAL300030018242	0	57	0.0	-72.31	422.24	6.43	-65.88
CN(CCCCN(C)C(=O)C1CCCC2CCC[N@H+]21)C(=O)C1=CC(=O)[N-]O1	REAL300030018242	1	57	0.0	-67.19	417.08	6.11	-61.08
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300030018244	0	56	0.0	-80.58	444.18	5.16	-75.42
CN(CCCCN(C)C(=O)C1=NN(CC[NH+](C)C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030018258	0	56	0.0	-92.21	446.65	5.86	-86.35
C[C@@H]1[C@H](C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030018264	0	53	0.0	-79.44	400.67	5.02	-74.42
C[C@@H]1[C@H](C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030018264	1	53	0.0	-74.10	406.33	5.28	-68.82
CCC1=[NH+]C=CN1C(C)CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030018267	1	57	0.0	-70.60	450.62	7.26	-63.34
CC[C@@H]1[C@@H](C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030018270	0	56	0.0	-76.79	422.38	5.60	-71.19
CC[C@@H]1[C@@H](C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030018270	1	56	0.0	-76.58	422.54	5.85	-70.73
CC[N@@H+]1CCOC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030018294	1	54	0.0	-79.89	415.88	4.92	-74.97
CC[N@H+]1CCOC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030018294	1	54	0.0	-75.65	408.97	4.78	-70.87
CC[NH+](CC)CC(F)C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030018351	0	55	0.0	-71.57	423.16	5.72	-65.85
CN(CCCCN(C)C(=O)C1=C(C[NH+](C)C)C=CS1)C(=O)C1=CC(=O)[N-]O1	REAL300030018352	0	53	0.0	-69.99	436.71	6.51	-63.48
CC1CCC(C)[NH+]1CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030018450	0	56	0.0	-70.09	421.92	6.01	-64.08
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCC[NH+]1CCCC1	REAL300030018457	0	56	0.0	-76.27	434.50	6.57	-69.70
CN(CCCCN(C)C(=O)C1=CC(C[NH+](C)C)=CC=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030018458	0	56	0.0	-76.40	439.19	7.14	-69.26
C#CC[NH+]1CCC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030018465	0	55	0.0	-81.47	428.99	6.55	-74.92
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC[NH+]1CCCCC1	REAL300030018466	0	56	0.0	-75.85	428.23	6.44	-69.41
CN(CCCCN(C)C(=O)C1=CC=CC=C1C[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030018470	0	56	0.0	-69.04	438.66	7.13	-61.91
CC[N@@H+]1CCCCC1C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030018479	0	56	0.0	-69.36	422.35	6.20	-63.16
CC[N@H+]1CCCCC1C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030018479	1	56	0.0	-66.61	423.04	6.18	-60.43
CC(C)C(C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300030018480	0	62	0.0	-70.72	451.14	7.57	-63.15
CN(CCCCN(C)C(=O)C(C1=CC=CC=C1)[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030018483	1	56	0.0	-71.28	432.28	7.19	-64.09
CC(C)C[N@@H+]1CCC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030018506	0	59	0.0	-71.66	446.25	6.86	-64.80
CC(C)C[N@H+]1CCC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030018506	1	59	0.0	-76.26	446.02	6.80	-69.46
CN(CCCCN(C)C(=O)C1([NH+](C)C)CCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030018510	0	53	0.0	-72.12	392.60	4.90	-67.22
CN(CCCCN(C)C(=O)C(CN1C=CC=N1)[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030018512	1	56	0.0	-67.03	430.68	5.48	-61.55
CC(C)[N@@H+]1CCCC1CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030018517	0	59	0.0	-64.12	434.43	6.59	-57.53
CC(C)[N@H+]1CCCC1CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030018517	1	59	0.0	-65.00	434.63	6.59	-58.41
CN(CCCCN(C)C(=O)C1CCC[N@@H+]1C1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030018518	0	60	0.0	-69.44	435.14	7.29	-62.15
CN(CCCCN(C)C(=O)C1CCC[N@H+]1C1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030018518	1	60	0.0	-67.84	447.81	7.39	-60.45
CC(C)[C@@H](C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030018539	0	55	0.0	-69.77	409.03	5.66	-64.11
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)C1CCC1	REAL300030018600	0	53	0.0	-69.53	411.06	5.99	-63.54
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)C1CCC1	REAL300030018600	1	53	0.0	-71.18	410.88	5.98	-65.20
CC(C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300030018680	0	59	0.0	-65.47	431.43	6.24	-59.23
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCN(C)C1=CC=[NH+]C=C1	REAL300030018748	0	55	0.0	-74.02	439.41	5.71	-68.31
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030018760	1	52	0.0	-71.62	410.08	5.74	-65.88
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030018760	1	52	0.0	-68.98	415.08	6.13	-62.85
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCC1CCC[N@@H+]1C	REAL300030018769	0	56	0.0	-72.34	427.10	6.06	-66.28
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCC1CCC[N@H+]1C	REAL300030018769	1	56	0.0	-79.57	431.92	6.53	-73.04
CN(CCCCN(C)C(=O)C12CCC[NH+](CCC1)C2)C(=O)C1=CC(=O)[N-]O1	REAL300030018781	0	57	0.0	-75.85	412.49	5.70	-70.15
CN(CCCCN(C)C(=O)C1CCC2CCCC[N@@H+]21)C(=O)C1=CC(=O)[N-]O1	REAL300030018789	0	57	0.0	-66.34	429.26	6.80	-59.54
CN(CCCCN(C)C(=O)C1CCC2CCCC[N@H+]21)C(=O)C1=CC(=O)[N-]O1	REAL300030018789	1	57	0.0	-67.30	426.27	6.50	-60.80
CN(CCCCN(C)C(=O)C(C)(C)C[NH+]1CCOCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030018797	0	60	0.0	-71.32	435.10	4.66	-66.66
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCCC[NH+]1CCCC1	REAL300030018817	0	59	0.0	-77.37	455.99	7.36	-70.01
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300030018819	1	56	0.0	-75.74	441.64	7.61	-68.13
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300030018819	1	56	0.0	-78.26	441.33	7.58	-70.68
CN(CCCCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030018834	0	53	0.0	-76.80	405.81	5.49	-71.31
CN(CCCCN(C)C(=O)C1=NOC(C[NH+](C)C)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030018891	1	52	0.0	-83.13	421.07	5.36	-77.77
CC1=C(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300030018893	0	51	0.0	-74.35	418.23	7.66	-66.69
CN(CCCCN(C)C(=O)C1CCCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030018932	0	53	0.0	-69.84	403.04	5.53	-64.31
CN(CCCCN(C)C(=O)C1CCCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030018932	1	53	0.0	-70.29	404.73	5.50	-64.79
CC(C)C[N@@H+]1CCCC1C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030018962	0	59	0.0	-72.78	438.16	6.35	-66.43
CC(C)C[N@H+]1CCCC1C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030018962	1	59	0.0	-71.33	445.56	7.02	-64.31
CN(CCCCN(C)C(=O)C1=CN2C=[NH+]C=C2C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030019108	0	48	0.0	-80.16	399.42	7.37	-72.79
CC1=[NH+]C=CN1CCCC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030019120	1	54	0.0	-70.44	435.91	6.97	-63.47
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCCC[NH+]1CCOCC1	REAL300030019124	1	60	0.0	-80.58	462.93	5.63	-74.95
CN(CCCCN(C)C(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030019130	0	56	0.0	-87.18	439.26	7.13	-80.05
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC[NH+]1CCOCC1	REAL300030019131	1	54	0.0	-79.02	419.93	4.07	-74.95
CCC[NH+](CCC)CCCC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030019154	0	64	0.0	-73.67	487.02	8.23	-65.44
CC1=C[NH+]=CN1CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030019174	1	48	0.0	-73.28	393.39	6.30	-66.98
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CN1C=[NH+]C2=C1CCCC2	REAL300030019183	1	55	0.0	-72.37	436.26	8.07	-64.30
CN(CCCCN(C)C(=O)C1(C[NH+](C)C)CCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030019225	0	62	0.0	-79.68	439.88	6.76	-72.92
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC[N@H+](C)C1CCCCC1	REAL300030019231	0	62	0.0	-77.65	463.08	7.64	-70.01
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC[N@@H+](C)C1CCCCC1	REAL300030019231	1	62	0.0	-77.59	463.07	7.62	-69.97
CN(CCCCN(C)C(=O)C12CCC[NH+]1CCC2)C(=O)C1=CC(=O)[N-]O1	REAL300030019234	0	54	0.0	-69.48	401.82	5.36	-64.12
CN(CCCCN(C)C(=O)C1CCCC([NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030019273	0	59	0.0	-67.64	433.15	6.49	-61.15
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC[N@H+](C)C1	REAL300030019277	0	53	0.0	-78.73	410.99	5.64	-73.09
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC[N@@H+](C)C1	REAL300030019277	1	53	0.0	-75.51	410.80	5.63	-69.88
CN(C)C1=CC=[NH+]C=C1C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030019290	0	52	0.0	-83.71	416.05	3.83	-79.88
CCC(C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030019296	0	52	0.0	-72.29	395.24	5.13	-67.16
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1([NH+](C)C)CCCC1	REAL300030019316	0	59	0.0	-74.98	428.77	6.49	-68.49
CN(CCCCN(C)C(=O)C1=CC2=C[NH+]=CN2C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030019377	1	48	0.0	-81.77	400.10	7.41	-74.36
CN(CCCCN(C)C(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030019418	1	51	0.0	-89.58	421.66	5.78	-83.80
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCCC[NH+](C)C	REAL300030019449	0	55	0.0	-75.29	430.30	6.20	-69.09
CC(C)C(C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030019470	0	55	0.0	-70.29	406.25	5.44	-64.85
CCC[N@H+](C)CCC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030019472	0	55	0.0	-77.41	426.27	5.99	-71.42
CCC[N@@H+](C)CCC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030019472	1	55	0.0	-77.30	426.26	6.02	-71.28
CCC[N@H+](C)CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030019478	0	52	0.0	-71.61	403.90	5.42	-66.19
CCC[N@@H+](C)CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030019478	1	52	0.0	-73.51	403.91	5.41	-68.10
CN(CCCCN(C)C(=O)C12CC[N@H+](C1)CCC2)C(=O)C1=CC(=O)[N-]O1	REAL300030019507	0	54	0.0	-77.78	397.81	4.84	-72.94
CN(CCCCN(C)C(=O)C12CC[N@@H+](C1)CCC2)C(=O)C1=CC(=O)[N-]O1	REAL300030019507	1	54	0.0	-83.65	397.16	4.88	-78.77
CN(CCCCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030019565	0	50	0.0	-68.42	389.40	4.84	-63.58
CN(CCCCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030019565	1	50	0.0	-72.84	383.93	4.55	-68.29
CC1CC2CCC(C(=O)N(C)CCCCN(C)C(=O)C3=CC(=O)[N-]O3)C[N@@H+]2C1	REAL300030019590	0	60	0.0	-73.45	447.90	7.05	-66.40
CC1CC2CCC(C(=O)N(C)CCCCN(C)C(=O)C3=CC(=O)[N-]O3)C[N@H+]2C1	REAL300030019590	1	60	0.0	-64.77	442.40	7.22	-57.55
CCCCCC[N@H+](C)CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030019635	0	61	0.0	-72.93	468.39	7.76	-65.17
CCCCCC[N@@H+](C)CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030019635	1	61	0.0	-74.69	468.39	7.75	-66.94
CC[NH+](CC)C(C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300030019643	0	61	0.0	-69.79	439.01	6.62	-63.17
CC[NH+](CC)CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030019652	0	52	0.0	-69.58	396.03	5.07	-64.51
CCC[N@@H+]1CCCC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030019685	0	59	0.0	-66.90	438.44	7.03	-59.87
CCC[N@H+]1CCCC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030019685	1	59	0.0	-71.97	444.28	6.78	-65.19
CC(C)[N@@H+]1CCOC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030019707	0	57	0.0	-83.08	433.51	5.47	-77.61
CC(C)[N@H+]1CCOC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030019707	1	57	0.0	-83.24	433.87	5.44	-77.80
CC1CC[NH+](CC(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030019745	0	56	0.0	-74.21	427.77	6.49	-67.72
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300030019773	1	51	0.0	-79.41	419.17	5.09	-74.32
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)COC1CC[NH+](C)CC1	REAL300030019782	0	57	0.0	-79.03	444.88	6.19	-72.84
CN(CCCCN(C)C(=O)C1(C[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030019798	0	53	0.0	-71.44	411.64	5.55	-65.89
CC1=[NH+]C=C2CCC(C(=O)N(C)CCCCN(C)C(=O)C3=CC(=O)[N-]O3)CN21	REAL300030019799	1	55	0.0	-70.52	428.99	6.51	-64.01
CC(C)[NH+]1CCC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030019895	0	59	0.0	-77.88	436.18	6.42	-71.46
CN(CCCCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030019923	0	53	0.0	-76.80	405.81	5.49	-71.31
CC(C)[C@H](C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030019944	0	55	0.0	-70.71	408.79	5.76	-64.95
CCC(C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300030019979	0	58	0.0	-69.55	426.57	6.14	-63.41
CC[N@H+](C)CCC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030020062	0	52	0.0	-76.56	404.76	5.25	-71.31
CC[N@@H+](C)CCC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030020062	1	52	0.0	-76.53	404.76	5.27	-71.26
CC1CCC[N@@H+]1CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030020131	0	53	0.0	-70.37	411.57	5.68	-64.69
CC1CCC[N@H+]1CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030020131	1	53	0.0	-68.05	403.97	5.37	-62.68
CC1CC[N@H+](CC(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030020133	0	53	0.0	-73.01	410.80	5.76	-67.25
CC1CC[N@@H+](CC(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030020133	1	53	0.0	-70.71	411.62	5.74	-64.97
CN(CCCCN(C)C(=O)C1(F)CC[N@@H+](C(C)(C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030020134	0	59	0.0	-68.46	442.79	6.20	-62.26
CN(CCCCN(C)C(=O)C1(F)CC[N@H+](C(C)(C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030020134	1	59	0.0	-71.06	442.07	6.15	-64.91
CC1=[NH+]C=C2CC(C(=O)N(C)CCCCN(C)C(=O)C3=CC(=O)[N-]O3)CCN21	REAL300030020136	1	55	0.0	-75.62	428.78	6.52	-69.10
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300030020139	0	56	0.0	-72.98	431.10	6.26	-66.72
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+]1CCC(C)(C)C1	REAL300030020139	1	56	0.0	-70.39	430.51	6.25	-64.14
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)CC(C)(C)C	REAL300030020140	0	58	0.0	-73.29	434.96	6.56	-66.73
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)CC(C)(C)C	REAL300030020140	1	58	0.0	-71.50	432.14	6.41	-65.09
CC[C@@H](C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030020151	0	52	0.0	-69.81	395.16	5.00	-64.81
CC(COCC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCC1	REAL300030020159	0	60	0.0	-73.84	463.25	6.83	-67.01
CN(CCCCN(C)C(=O)C1CC[NH+](CC2CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030020244	0	60	0.0	-76.80	455.00	7.70	-69.10
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1(O)CC[NH+](C)CC1	REAL300030020385	0	57	0.0	-77.06	435.11	4.28	-72.78
COCC[N@@H+]1CCCC1CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030020392	0	60	0.0	-72.62	453.89	5.40	-67.22
COCC[N@H+]1CCCC1CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030020392	1	60	0.0	-70.58	463.48	5.46	-65.12
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+](C)C	REAL300030020400	0	46	0.0	-71.96	364.93	4.02	-67.94
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCC(CO)CC1	REAL300030020405	0	57	0.0	-74.97	438.60	3.18	-71.79
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCCCCC1	REAL300030020409	0	56	0.0	-72.64	415.74	6.05	-66.59
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N+]1=CN(C)C=C1	REAL300030020414	0	48	0.0	-71.64	395.90	7.51	-64.13
CN(CCCCN(C)C(=O)C1CCC[N@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030020425	0	53	0.0	-66.10	398.37	5.55	-60.55
CN(CCCCN(C)C(=O)C1CCC[N@@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030020425	1	53	0.0	-66.07	398.98	5.56	-60.51
CN(CCCCN(C)C(=O)C1CCC[N@@H+]1C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030020430	0	54	0.0	-69.34	418.65	6.31	-63.03
CN(CCCCN(C)C(=O)C1CCC[N@H+]1C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030020430	1	54	0.0	-68.46	414.81	5.85	-62.61
CC(C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030020465	0	50	0.0	-71.64	390.28	4.89	-66.75
CCC(CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030020474	0	58	0.0	-68.21	439.41	6.64	-61.57
CN(CCCCN(C)C(=O)C(C)(C)C[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030020482	0	55	0.0	-68.52	402.43	5.19	-63.33
CN(CCCCN(C)C(=O)C12CC(C1)C[N@@H+]2C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030020502	0	55	0.0	-75.23	417.92	6.21	-69.02
CN(CCCCN(C)C(=O)C12CC(C1)C[N@H+]2C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030020502	1	55	0.0	-69.88	419.08	6.24	-63.64
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCC(O)CC1	REAL300030020522	0	54	0.0	-78.49	417.49	2.51	-75.98
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)C1CC1	REAL300030020523	0	50	0.0	-70.36	393.94	5.41	-64.95
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)C1CC1	REAL300030020523	1	50	0.0	-70.44	393.94	5.41	-65.03
CC(C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300030020524	1	58	0.0	-73.08	438.47	3.82	-69.26
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1C[NH+](C)C1	REAL300030020549	0	50	0.0	-73.25	396.38	4.87	-68.38
CN(CCCCN(C)C(=O)C1CC[N@@H+]1C1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030020553	0	57	0.0	-69.29	430.82	6.50	-62.79
CN(CCCCN(C)C(=O)C1CC[N@H+]1C1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030020553	1	57	0.0	-72.46	428.04	6.45	-66.01
CN(CCCCN(C)C(=O)C1CC[N@@H+]1C(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030020561	0	56	0.0	-69.78	406.59	4.82	-64.96
CN(CCCCN(C)C(=O)C1CC[N@H+]1C(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030020561	1	56	0.0	-71.40	424.37	5.60	-65.80
C[C@@H](C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030020574	0	49	0.0	-72.22	380.93	4.33	-67.89
CCC1CCC[N@H+](CC(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030020623	0	59	0.0	-71.36	446.24	7.11	-64.25
CCC1CCC[N@@H+](CC(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030020623	1	59	0.0	-73.70	446.52	7.12	-66.58
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=C(C[NH+](C)C)N1	REAL300030020632	0	54	0.0	-82.79	427.08	5.73	-77.06
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC2CCC(C1)[NH+]2C	REAL300030020646	0	60	0.0	-77.47	430.12	6.48	-70.99
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CN1C=CSC1=[NH2+]	REAL300030020690	0	46	0.0	-70.02	391.74	4.18	-65.84
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC[N@H+](C)CCO	REAL300030020703	0	53	0.0	-76.26	415.11	2.05	-74.21
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC[N@@H+](C)CCO	REAL300030020703	1	53	0.0	-75.75	414.97	2.05	-73.70
C[C@@H](C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030020704	0	49	0.0	-72.22	380.93	4.33	-67.89
CN(CCCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030020708	0	53	0.0	-68.28	404.94	5.58	-62.70
CN(CCCCN(C)C(=O)[C@H]1CCCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030020708	1	53	0.0	-71.15	397.25	5.24	-65.91
CC1CN2CC[N@@H+]1CC2C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030020718	0	56	0.0	-75.91	414.90	2.64	-73.27
CC1CN2CC[N@H+]1CC2C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030020718	1	56	0.0	-82.15	412.29	2.53	-79.62
COC1C[N@@H+]2CCCC2(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030020762	0	58	0.0	-66.30	436.22	4.37	-61.93
COC1C[N@H+]2CCCC2(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030020762	1	58	0.0	-70.03	435.70	4.43	-65.60
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CC2=C[NH+]=CN2C=C1	REAL300030020777	0	51	0.0	-71.61	419.34	8.24	-63.37
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)C1CCSC1	REAL300030020805	0	54	0.0	-77.43	423.93	6.25	-71.18
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)C1CCSC1	REAL300030020805	1	54	0.0	-76.70	424.42	6.25	-70.45
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCC1	REAL300030020806	1	47	0.0	-74.00	374.76	4.42	-69.58
CN(CCCCN(C)C(=O)C1=CC=NC(C[NH+](C)C)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030020843	1	55	0.0	-75.02	436.75	5.31	-69.71
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C=C1CC[N@H+](C)C1	REAL300030020845	0	51	0.0	-79.06	402.70	5.54	-73.52
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C=C1CC[N@@H+](C)C1	REAL300030020845	1	51	0.0	-76.50	402.01	5.58	-70.92
CN(CCCCN(C)C(=O)C1C[NH+](C2CCCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030020871	0	60	0.0	-75.29	455.71	7.31	-67.98
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)COCC[NH+](C)C	REAL300030020887	0	53	0.0	-72.72	420.81	5.14	-67.58
CCCCC[N@H+](C)CCC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030020894	0	61	0.0	-78.19	469.26	7.56	-70.63
CCCCC[N@@H+](C)CCC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030020894	1	61	0.0	-78.17	469.26	7.58	-70.59
CN(CCCCN(C)C(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1)C(=O)C1=CC(=O)[N-]O1	REAL300030020904	0	57	0.0	-77.32	440.75	5.84	-71.48
C=CCC(C)(C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030020914	0	56	0.0	-66.78	408.39	5.48	-61.30
CN(CCCCN(C)C(=O)C(O)CC[S+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030020919	0	52	0.0	-76.84	426.01	3.48	-73.36
CN(CCCCN(C)C(=O)C1(C)CC(O)C[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030020952	0	54	0.0	-69.34	403.59	1.00	-68.34
CN(CCCCN(C)C(=O)C1CN(C)CC[N@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030020967	0	58	0.0	-70.17	431.36	3.80	-66.37
CN(CCCCN(C)C(=O)C1CN(C)CC[N@@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030020967	1	58	0.0	-70.17	431.36	3.80	-66.37
CC(C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300030020968	0	57	0.0	-67.76	433.20	2.81	-64.95
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1(O)CCC[N@H+](C)C1	REAL300030020993	0	57	0.0	-69.59	425.93	4.23	-65.36
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1(O)CCC[N@@H+](C)C1	REAL300030020993	1	57	0.0	-69.59	425.93	4.23	-65.36
CC1CN(CC(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030020997	0	50	0.0	-73.91	395.93	5.09	-68.82
CC1C[NH+](CC(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030020997	1	50	0.0	-73.91	395.93	5.09	-68.82
CN(CCO)CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030021027	0	50	0.0	-74.22	392.74	1.43	-72.79
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)CCO	REAL300030021027	1	50	0.0	-72.14	392.58	1.41	-70.73
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)CCO	REAL300030021027	1	50	0.0	-72.14	392.58	1.41	-70.73
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C=C1CC2CCC(C1)[NH+]2C	REAL300030021050	0	58	0.0	-74.18	437.09	6.94	-67.24
CN(CCCCN(C)C(=O)C1C[N@@H+]2CCN1CCC2)C(=O)C1=CC(=O)[N-]O1	REAL300030021055	0	56	0.0	-79.51	408.57	3.38	-76.13
CN(CCCCN(C)C(=O)C1C[N@H+]2CCN1CCC2)C(=O)C1=CC(=O)[N-]O1	REAL300030021055	1	56	0.0	-79.51	408.57	3.38	-76.13
CC[N@@H+]1CCCC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030021063	0	56	0.0	-74.22	423.24	6.08	-68.14
CC[N@H+]1CCCC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030021063	1	56	0.0	-74.22	423.24	6.08	-68.14
CC(CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030021065	0	55	0.0	-77.43	421.82	6.05	-71.38
CC[N@H+](C)CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030021081	0	49	0.0	-71.28	382.40	4.67	-66.61
CN(CCCCN(C)C(=O)C12CCC[N@@H+]1CCCC2)C(=O)C1=CC(=O)[N-]O1	REAL300030021109	0	57	0.0	-66.71	413.50	5.85	-60.86
CN(CCCCN(C)C(=O)C12CCC[N@H+]1CCCC2)C(=O)C1=CC(=O)[N-]O1	REAL300030021109	1	57	0.0	-66.71	413.50	5.85	-60.86
CN(CCCCN(C)C(=O)C12CCC[N@@H+]1CC=CC2)C(=O)C1=CC(=O)[N-]O1	REAL300030021118	0	55	0.0	-68.33	406.45	5.53	-62.80
CN(CCCCN(C)C(=O)C12CCC[N@H+]1CC=CC2)C(=O)C1=CC(=O)[N-]O1	REAL300030021118	1	55	0.0	-68.33	406.45	5.53	-62.80
CC[N@H+](CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030021143	0	53	0.0	-71.98	406.06	5.89	-66.09
CC[NH+](CC)CCC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030021168	0	55	0.0	-72.69	422.40	5.96	-66.73
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CN1CC(C)(C)C1	REAL300030021200	0	53	0.0	-74.19	415.27	5.61	-68.58
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CC(C)(C)C1	REAL300030021200	1	53	0.0	-74.19	415.27	5.61	-68.58
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCCC[NH+]1CCCCC1	REAL300030021206	0	62	0.0	-77.58	471.22	8.03	-69.55
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300030021239	0	54	0.0	-74.00	421.94	2.39	-71.61
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C=CC[NH+](C)C	REAL300030021251	0	50	0.0	-80.31	399.81	5.24	-75.07
CC(OCC[NH+](C)C)C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030021275	0	56	0.0	-72.73	436.55	5.63	-67.10
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCOCC[NH+](C)C	REAL300030021286	0	56	0.0	-72.83	441.76	4.85	-67.98
COCCN(C)CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030021287	0	53	0.0	-71.91	414.84	3.81	-68.10
COCC[N@H+](C)CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030021287	1	53	0.0	-74.53	415.00	3.84	-70.69
COCC[N@@H+](C)CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030021287	1	53	0.0	-74.53	415.00	3.84	-70.69
COCCCC[N@H+](C)CCC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030021315	0	62	0.0	-81.14	481.43	5.87	-75.27
COCCCC[N@@H+](C)CCC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030021315	1	62	0.0	-81.14	481.43	5.87	-75.27
CN(CCCCN(C)C(=O)C1([NH+](C)C)CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030021340	0	56	0.0	-78.64	407.30	5.96	-72.68
CC(CCC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030021343	0	55	0.0	-72.65	421.82	5.79	-66.86
CC[N@@H+]1CCC1C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030021353	0	50	0.0	-70.96	395.64	4.89	-66.07
CC(C)[N@@H+]1CCCC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030021364	0	59	0.0	-70.20	440.21	6.62	-63.58
CC(C)[N@H+]1CCCC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030021364	1	59	0.0	-70.20	440.21	6.62	-63.58
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+]1CCCC1CO	REAL300030021378	0	54	0.0	-72.87	420.38	2.56	-70.31
CN(CCCCN(C)C(=O)C1CC2CCCC[N@@H+]2C1)C(=O)C1=CC(=O)[N-]O1	REAL300030021404	0	57	0.0	-78.71	428.82	6.56	-72.15
CN(CCCCN(C)C(=O)C1CC2CCCC[N@H+]2C1)C(=O)C1=CC(=O)[N-]O1	REAL300030021404	1	57	0.0	-78.71	428.82	6.56	-72.15
CN(CCCCN(C)C(=O)C1(C)CC[NH+](C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030021411	0	56	0.0	-73.23	412.41	5.54	-67.69
C=CCC(C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030021451	0	53	0.0	-69.17	405.24	5.38	-63.79
CN(CCCCN(C)C(=O)C1CC(C)(C)C[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030021469	0	56	0.0	-68.92	424.09	5.70	-63.22
CN(CCCCN(C)C(=O)C1CC(C)(C)C[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030021469	1	56	0.0	-68.92	424.09	5.70	-63.22
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCCCC[NH+](C)C	REAL300030021474	0	58	0.0	-74.62	451.80	6.97	-67.65
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CC2CC2C1	REAL300030021484	0	51	0.0	-73.74	399.99	5.87	-67.87
CC1C[N@@H+]2CCN1C(C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300030021519	0	56	0.0	-78.25	414.14	2.68	-75.57
CCCC(C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030021520	0	55	0.0	-70.87	414.35	5.66	-65.21
CN(CCCCN(C)C(=O)C(C)(C)[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030021525	0	52	0.0	-72.28	383.87	4.62	-67.66
CN(CCCCN(C)C(=O)C1CCCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030021575	0	53	0.0	-70.29	404.73	5.50	-64.79
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CC[N@H+](C)CC1	REAL300030021625	0	54	0.0	-70.32	424.07	6.39	-63.93
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CC[N@@H+](C)CC1	REAL300030021625	1	54	0.0	-70.32	424.07	6.39	-63.93
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1([NH+]2CCCC2)CC1	REAL300030021635	0	57	0.0	-71.72	429.68	6.78	-64.94
CN(CCCCN(C)C(=O)C(C)(C)C1CCC[N@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030021691	0	62	0.0	-75.39	437.60	6.18	-69.21
CN(CCCCN(C)C(=O)C(C)(C)C1CCC[N@@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030021691	1	62	0.0	-74.48	445.22	6.62	-67.86
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300030021696	1	53	0.0	-86.41	426.53	5.92	-80.49
CN(CCCCN(C)C(=O)C1=CC=C(C[NH+](C)C)N=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030021701	0	55	0.0	-85.96	436.69	5.30	-80.66
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C=CC[NH+]1CCCC1	REAL300030021718	0	54	0.0	-75.65	426.42	6.46	-69.19
CN(CCCCN(C)C(=O)C1CC[NH+](C2CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030021745	0	57	0.0	-78.74	430.12	6.65	-72.09
CN(CCCCN(C)C(=O)C1([NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030021768	0	50	0.0	-72.66	386.60	4.70	-67.96
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC[NH+]1CCCC1	REAL300030021770	0	53	0.0	-75.96	413.01	5.76	-70.20
CN(CCCCN(C)C(=O)C1C[NH+]2CCN1CC2)C(=O)C1=CC(=O)[N-]O1	REAL300030021815	0	53	0.0	-78.20	397.56	2.10	-76.10
CN(CCCCN(C)C(=O)C12CC(C1)C[N@H+]2C)C(=O)C1=CC(=O)[N-]O1	REAL300030021826	1	51	0.0	-72.69	390.70	5.29	-67.40
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+]1CC2CCC1C2	REAL300030021841	0	54	0.0	-71.66	411.41	6.11	-65.55
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+]1CC2CCC1C2	REAL300030021841	1	54	0.0	-71.63	411.95	6.11	-65.52
CC(C)[NH+]1CCC(CC(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030021853	0	62	0.0	-72.51	458.54	7.37	-65.14
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C=C1C[NH+]2CCC1CC2	REAL300030021903	0	55	0.0	-69.21	420.25	6.43	-62.78
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+]1CC2C=CC1C2	REAL300030021915	1	52	0.0	-67.79	404.36	5.87	-61.92
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+]1CC2C=CC1C2	REAL300030021915	1	52	0.0	-67.80	404.87	5.89	-61.91
CC[NH+]1CCN(CC(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030021953	0	58	0.0	-73.72	441.42	4.18	-69.54
CC(C[NH+](C)C)C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030021978	0	52	0.0	-68.48	397.62	5.10	-63.38
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CCCC[N@@H+]1C	REAL300030022074	0	56	0.0	-66.14	416.69	6.10	-60.04
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CCCC[N@H+]1C	REAL300030022074	1	56	0.0	-74.43	424.51	6.24	-68.19
CC1=C2C=C(C(=O)N(C)CCCCN(C)C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030022096	1	51	0.0	-79.46	421.46	7.96	-71.50
CC(C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300030022097	0	53	0.0	-71.44	411.32	5.51	-65.93
CC1CC[N@@H+]1CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030022101	0	50	0.0	-69.24	391.91	4.89	-64.35
CC1CC[N@H+]1CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030022101	1	50	0.0	-69.25	390.70	4.81	-64.44
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC(O)C[NH+](C)C	REAL300030022106	0	53	0.0	-77.76	417.40	3.08	-74.68
CC1C[N@H+](C)CC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)O1	REAL300030022142	1	54	0.0	-90.21	410.82	4.57	-85.64
CC1C[N@@H+](C)CC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)O1	REAL300030022142	1	54	0.0	-79.04	411.94	4.84	-74.20
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC[NH+]1CCC(O)CC1	REAL300030022154	0	57	0.0	-79.20	439.75	3.13	-76.07
CCC[N@@H+]1CCCCC1C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030022157	0	59	0.0	-66.81	443.20	6.89	-59.92
CCC[N@H+]1CCCCC1C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030022157	1	59	0.0	-68.56	433.11	6.48	-62.08
CC[NH+]1CCN(CCC(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030022162	0	61	0.0	-78.25	462.77	4.67	-73.58
CCN1CC[NH+](CCC(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030022162	1	61	0.0	-77.01	463.27	4.71	-72.30
CN(CCCCN(C)C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C1=CC(=O)[N-]O1	REAL300030022165	0	60	0.0	-64.43	426.27	6.37	-58.06
CN(CCCCN(C)C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)C1=CC(=O)[N-]O1	REAL300030022165	1	60	0.0	-65.49	436.96	7.31	-58.18
CC(C)C[NH+]1CCC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030022210	0	62	0.0	-80.21	461.96	7.57	-72.64
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CN1CCC([NH+](C)C)CC1	REAL300030022235	0	61	0.0	-75.07	458.01	4.69	-70.38
CN(CCCCN(C)C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030022256	0	53	0.0	-76.62	413.06	5.72	-70.90
CC(CC[NH+](C)C)C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030022264	0	55	0.0	-76.82	419.79	5.65	-71.17
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300030022297	0	57	0.0	-71.72	436.26	3.22	-68.50
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O	REAL300030022297	1	57	0.0	-68.61	435.73	3.40	-65.21
C#CC[N@H+]1CCCCC1C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030022306	1	55	0.0	-68.76	419.16	6.28	-62.48
C#CC[N@@H+]1CCCCC1C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030022306	1	55	0.0	-70.04	429.36	6.69	-63.35
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CN1CC[NH+](C)CC1	REAL300030022312	1	55	0.0	-75.27	424.33	3.50	-71.77
CC[NH+]1CCN(CC(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030022321	0	58	0.0	-73.72	441.42	4.18	-69.54
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CSC(N)=[NH2+]	REAL300030022352	0	44	0.0	-73.99	373.46	0.97	-73.02
CC[N@@H+]1CCOCC1CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030022398	0	57	0.0	-79.52	433.53	4.54	-74.98
CN(CCCCN(C)C(=O)C1(CC[NH+](C)C)CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030022417	0	62	0.0	-80.45	457.67	7.08	-73.37
CC1CCCC(C)[NH+]1CCC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030022419	0	62	0.0	-73.32	455.25	7.10	-66.22
CN(CCCCN(C)C(=O)C1CCC([NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030022422	0	59	0.0	-82.76	438.59	6.56	-76.20
CN(CCCCN(C)C(=O)C1(CC[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030022423	0	56	0.0	-75.24	436.86	6.42	-68.82
CN(CCCCN(C)C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030022427	0	59	0.0	-69.23	432.85	6.48	-62.75
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC=CC[N@@H+]1C	REAL300030022428	0	54	0.0	-79.06	415.98	6.10	-72.96
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC=CC[N@H+]1C	REAL300030022428	1	54	0.0	-79.06	415.98	6.10	-72.96
C[C@@H](OCC[NH+](C)C)C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030022457	0	56	0.0	-73.28	435.21	5.58	-67.70
CN(CCCCN(C)C(=O)C1CC2CCC(C1)[NH+]2C)C(=O)C1=CC(=O)[N-]O1	REAL300030022491	0	57	0.0	-68.99	401.33	5.99	-63.00
CC(C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300030022632	1	54	0.0	-71.91	415.97	5.72	-66.19
CCC1C[NH+](CC(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030022634	0	53	0.0	-74.67	417.34	5.85	-68.82
CN(CCCCN(C)C(=O)C1C[NH+](C2CCOCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030022636	0	58	0.0	-80.38	446.65	4.91	-75.47
CN(CCCCN(C)C(=O)C1([NH+]2CCCC2)CCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030022638	0	57	0.0	-70.06	416.86	6.26	-63.80
CN(CCCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030022649	0	50	0.0	-70.88	384.44	4.55	-66.33
CN(CCCCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030022649	1	50	0.0	-68.03	387.91	4.82	-63.21
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC[N@H+]1CCC(F)C1	REAL300030022658	1	53	0.0	-78.32	419.12	5.85	-72.47
COC1C[N@@H+](C)C(C)(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030022667	1	57	0.0	-67.71	425.51	3.80	-63.91
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC[NH+]1CCCCCC1	REAL300030022680	0	59	0.0	-77.82	438.68	6.68	-71.14
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCCCC1	REAL300030022682	0	53	0.0	-73.27	406.97	5.91	-67.36
CC1C(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030022692	0	53	0.0	-74.30	402.28	5.06	-69.24
CC1C(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030022692	1	53	0.0	-74.07	401.62	5.28	-68.79
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCC1CCCC[N@@H+]1C	REAL300030022694	0	59	0.0	-75.82	439.46	6.80	-69.02
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCC1CCCC[N@H+]1C	REAL300030022694	1	59	0.0	-74.28	445.95	6.95	-67.33
CN(CCCCN(C)C(=O)C1CC[N@@H+]2CCOCC12)C(=O)C1=CC(=O)[N-]O1	REAL300030022728	0	55	0.0	-76.32	420.32	4.16	-72.16
CN(CCCCN(C)C(=O)C1CC[N@H+]2CCOCC12)C(=O)C1=CC(=O)[N-]O1	REAL300030022728	1	55	0.0	-76.22	420.39	4.13	-72.09
CC1=[NH+]C=C2C=CC(C(=O)N(C)CCCCN(C)C(=O)C3=CC(=O)[N-]O3)=CN21	REAL300030022736	0	51	0.0	-73.80	412.82	6.92	-66.88
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1COCCN1C	REAL300030022755	0	54	0.0	-69.18	408.64	3.72	-65.46
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1COCC[N@@H+]1C	REAL300030022755	1	54	0.0	-69.65	407.78	3.69	-65.96
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1COCC[N@H+]1C	REAL300030022755	1	54	0.0	-69.18	408.64	3.72	-65.46
CC1=C(C)[NH+]=C(CCC(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)N1	REAL300030022765	1	54	0.0	-70.70	434.90	5.33	-65.37
CC(C)C[N@@H+]1CCCC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030022780	0	62	0.0	-67.40	456.61	7.75	-59.65
CC(C)C[N@H+]1CCCC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030022780	1	62	0.0	-71.39	462.49	7.53	-63.86
CN(CCCCN(C)C(=O)C1CCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030022947	0	50	0.0	-68.64	388.20	4.83	-63.81
CN(CCCCN(C)C(=O)C1CCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030022947	1	50	0.0	-70.55	388.28	4.81	-65.74
CN(CCCCN(C)C(=O)C1C[N@H+](C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030022973	1	51	0.0	-87.48	398.94	4.30	-83.18
CN(CCCCN(C)C(=O)C1C[N@@H+](C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030022973	1	51	0.0	-82.14	397.13	4.26	-77.88
CC1=[NH+]C=CN1CCCC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030023142	1	54	0.0	-70.44	435.91	6.97	-63.47
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCCC[NH+]1CCOCC1	REAL300030023146	1	60	0.0	-80.58	462.93	5.63	-74.95
CN(CCCCN(C)C(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030023152	0	56	0.0	-87.18	439.26	7.13	-80.05
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC[NH+]1CCOCC1	REAL300030023153	1	54	0.0	-79.02	419.93	4.07	-74.95
CCC[NH+](CCC)CCCC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030023176	0	64	0.0	-73.67	487.02	8.23	-65.44
CN(CCCCN(C)C(=O)C12CCC[NH+]1CCC2)C(=O)C1=CC(=O)[N-]O1	REAL300030023192	0	54	0.0	-69.48	401.82	5.36	-64.12
CN(CCCCN(C)C(=O)C1=CC2=C[NH+]=CN2C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030023210	1	48	0.0	-81.77	400.10	7.41	-74.36
CN(CCCCN(C)C(=O)C1CCCC([NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030023282	0	59	0.0	-67.64	433.15	6.49	-61.15
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC[N@H+](C)C1	REAL300030023286	0	53	0.0	-78.73	410.99	5.64	-73.09
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC[N@@H+](C)C1	REAL300030023286	1	53	0.0	-75.51	410.80	5.63	-69.88
CN(C)C1=CC=[NH+]C=C1C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030023299	0	52	0.0	-83.71	416.05	3.83	-79.88
CCC(C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030023305	0	52	0.0	-72.29	395.24	5.13	-67.16
CN(CCCCN(C)C(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030023314	1	51	0.0	-89.58	421.66	5.78	-83.80
CC1CC2CCC(C(=O)N(C)CCCCN(C)C(=O)C3=CC(=O)[N-]O3)C[N@@H+]2C1	REAL300030023361	0	60	0.0	-73.45	447.90	7.05	-66.40
CC1CC2CCC(C(=O)N(C)CCCCN(C)C(=O)C3=CC(=O)[N-]O3)C[N@H+]2C1	REAL300030023361	1	60	0.0	-64.77	442.40	7.22	-57.55
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCCC[NH+](C)C	REAL300030023391	0	55	0.0	-75.29	430.30	6.20	-69.09
CC(C)C(C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030023414	0	55	0.0	-70.29	406.25	5.44	-64.85
CCC[N@H+](C)CCC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030023416	0	55	0.0	-77.41	426.27	5.99	-71.42
CCC[N@@H+](C)CCC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030023416	1	55	0.0	-77.30	426.26	6.02	-71.28
CCC[N@H+](C)CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030023422	0	52	0.0	-71.61	403.90	5.42	-66.19
CCC[N@@H+](C)CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030023422	1	52	0.0	-73.51	403.91	5.41	-68.10
CN(CCCCN(C)C(=O)C12CC[N@H+](C1)CCC2)C(=O)C1=CC(=O)[N-]O1	REAL300030023451	0	54	0.0	-77.78	397.81	4.84	-72.94
CN(CCCCN(C)C(=O)C12CC[N@@H+](C1)CCC2)C(=O)C1=CC(=O)[N-]O1	REAL300030023451	1	54	0.0	-83.65	397.16	4.88	-78.77
CCCCCC[N@H+](C)CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030023495	0	61	0.0	-72.93	468.39	7.76	-65.17
CCCCCC[N@@H+](C)CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030023495	1	61	0.0	-74.69	468.39	7.75	-66.94
CC[NH+](CC)C(C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300030023503	0	61	0.0	-69.79	439.01	6.62	-63.17
CC1CC[NH+](CC(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030023542	0	56	0.0	-74.21	427.77	6.49	-67.72
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300030023570	1	51	0.0	-79.41	419.17	5.09	-74.32
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)COC1CC[NH+](C)CC1	REAL300030023579	0	57	0.0	-79.03	444.88	6.19	-72.84
CN(CCCCN(C)C(=O)C1CC2CCCC[N@@H+]2C1)C(=O)C1=CC(=O)[N-]O1	REAL300030023645	0	57	0.0	-73.06	428.41	6.55	-66.51
CN(CCCCN(C)C(=O)C1CC2CCCC[N@H+]2C1)C(=O)C1=CC(=O)[N-]O1	REAL300030023645	1	57	0.0	-78.71	428.82	6.56	-72.15
CN(CCCCN(C)C(=O)C1(C[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030023658	0	53	0.0	-71.44	411.64	5.55	-65.89
CC1=[NH+]C=C2CCC(C(=O)N(C)CCCCN(C)C(=O)C3=CC(=O)[N-]O3)CN21	REAL300030023659	1	55	0.0	-70.52	428.99	6.51	-64.01
CC(C)[NH+]1CCC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030023671	0	59	0.0	-77.88	436.18	6.42	-71.46
CC[N@H+](C)CCC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030023704	0	52	0.0	-76.56	404.76	5.25	-71.31
CC[N@@H+](C)CCC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030023704	1	52	0.0	-76.53	404.76	5.27	-71.26
CN(CCCCN(C)C(=O)C(C)(C)[NH+]1CCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030023735	0	59	0.0	-72.90	426.81	6.26	-66.64
CN(CCCCN(C)C(=O)C1C[NH+]2CCC1CC2)C(=O)C1=CC(=O)[N-]O1	REAL300030023753	0	54	0.0	-76.94	402.64	5.54	-71.40
CN(CCCCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030023844	0	53	0.0	-76.80	405.81	5.49	-71.31
CC(C)[C@H](C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030023865	0	55	0.0	-70.71	408.79	5.76	-64.95
CN(CCCCN(C)C(=O)C1CC[NH+](CC2CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030023950	0	60	0.0	-76.80	455.00	7.70	-69.10
CC[NH+](CC)CC(F)C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030023995	0	55	0.0	-71.57	423.16	5.72	-65.85
CN(CCCCN(C)C(=O)C1=C(C[NH+](C)C)C=CS1)C(=O)C1=CC(=O)[N-]O1	REAL300030023996	0	53	0.0	-69.99	436.71	6.51	-63.48
CC(C)C[N@@H+]1CCC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030024038	0	59	0.0	-71.66	446.25	6.86	-64.80
CC(C)C[N@H+]1CCC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030024038	1	59	0.0	-76.26	446.02	6.80	-69.46
CN(CCCCN(C)C(=O)C1([NH+](C)C)CCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030024042	0	53	0.0	-72.12	392.60	4.90	-67.22
CCC(C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300030024077	0	58	0.0	-69.55	426.57	6.14	-63.41
CC1CCC[N@@H+]1CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030024105	0	53	0.0	-70.37	411.57	5.68	-64.69
CC1CCC[N@H+]1CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030024105	1	53	0.0	-68.05	403.97	5.37	-62.68
CC(C)C1=[NH+]C=CN1CCC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030024189	1	57	0.0	-70.18	450.08	7.20	-62.98
CC(C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300030024196	0	59	0.0	-70.67	431.78	6.68	-63.99
CC(C)[N@@H+]1CCCCC1C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030024198	0	59	0.0	-68.47	428.21	6.24	-62.23
CC(C)[N@H+]1CCCCC1C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030024198	1	59	0.0	-67.75	434.76	6.47	-61.28
CC(C)[N@@H+]1CCCC1C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030024228	0	56	0.0	-66.18	419.81	5.86	-60.32
CC(C)[N@H+]1CCCC1C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030024228	1	56	0.0	-71.45	415.41	6.43	-65.02
CN(CCCCN(C)C(=O)C(CN1C=CC=N1)[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030024234	1	56	0.0	-67.03	430.68	5.48	-61.55
CC(C)[N@@H+]1CCCC1CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030024239	0	59	0.0	-64.12	434.43	6.59	-57.53
CC(C)[N@H+]1CCCC1CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030024239	1	59	0.0	-65.00	434.63	6.59	-58.41
CN(CCCCN(C)C(=O)C1CCC[N@@H+]1C1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030024240	0	60	0.0	-69.44	435.14	7.29	-62.15
CN(CCCCN(C)C(=O)C1CCC[N@H+]1C1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030024240	1	60	0.0	-67.84	447.81	7.39	-60.45
CC(C)[C@@H](C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030024261	0	55	0.0	-69.77	409.03	5.66	-64.11
CC1CC[N@H+](CC(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030024290	0	53	0.0	-73.01	410.80	5.76	-67.25
CC1CC[N@@H+](CC(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030024290	1	53	0.0	-70.71	411.62	5.74	-64.97
CN(CCCCN(C)C(=O)C1(F)CC[N@@H+](C(C)(C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030024291	0	59	0.0	-68.46	442.79	6.20	-62.26
CN(CCCCN(C)C(=O)C1(F)CC[N@H+](C(C)(C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030024291	1	59	0.0	-71.06	442.07	6.15	-64.91
CC1=[NH+]C=C2CC(C(=O)N(C)CCCCN(C)C(=O)C3=CC(=O)[N-]O3)CCN21	REAL300030024293	1	55	0.0	-75.62	428.78	6.52	-69.10
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300030024296	0	56	0.0	-72.98	431.10	6.26	-66.72
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+]1CCC(C)(C)C1	REAL300030024296	1	56	0.0	-70.39	430.51	6.25	-64.14
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)CC(C)(C)C	REAL300030024297	0	58	0.0	-73.29	434.96	6.56	-66.73
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)CC(C)(C)C	REAL300030024297	1	58	0.0	-71.50	432.14	6.41	-65.09
CC[C@@H](C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030024308	0	52	0.0	-69.81	395.16	5.00	-64.81
CC(COCC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCC1	REAL300030024316	0	60	0.0	-73.84	463.25	6.83	-67.01
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCN(C)C1=CC=[NH+]C=C1	REAL300030024469	0	55	0.0	-74.02	439.41	5.71	-68.31
CC1=[NH+]C=CN1CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030024584	1	48	0.0	-70.43	394.09	5.61	-64.82
CC(C[NH+]1CCOCC1)C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030024586	0	57	0.0	-74.64	431.33	4.48	-70.16
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCC[NH+]1CCCCC1	REAL300030024608	0	59	0.0	-76.45	449.72	7.25	-69.20
CN(CCCCN(C)C(=O)C1=NOC(C[NH+](C)C)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030024629	1	52	0.0	-83.13	421.07	5.36	-77.77
CC1=C(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300030024631	0	51	0.0	-74.35	418.23	7.66	-66.69
CC(C)C1=[NH+]C=CN1CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030024676	1	54	0.0	-69.07	430.31	6.74	-62.33
CN(CCCCN(C)C(=O)C1CCCC2CCC[N@@H+]21)C(=O)C1=CC(=O)[N-]O1	REAL300030024726	0	57	0.0	-72.31	422.24	6.43	-65.88
CN(CCCCN(C)C(=O)C1CCCC2CCC[N@H+]21)C(=O)C1=CC(=O)[N-]O1	REAL300030024726	1	57	0.0	-67.19	417.08	6.11	-61.08
CC[N@@H+]1CCOC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030024759	1	54	0.0	-79.89	415.88	4.92	-74.97
CC[N@H+]1CCOC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030024759	1	54	0.0	-75.65	408.97	4.78	-70.87
CN(CCCCN(C)C(=O)C1=CN2C=[NH+]C=C2C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030024828	0	48	0.0	-80.16	399.42	7.37	-72.79
CC1=C[NH+]=CN1CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030024833	1	48	0.0	-73.28	393.39	6.30	-66.98
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300030024837	0	56	0.0	-80.58	444.18	5.16	-75.42
CN(CCCCN(C)C(=O)C1=NN(CC[NH+](C)C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030024851	0	56	0.0	-92.21	446.65	5.86	-86.35
C[C@@H]1[C@H](C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030024857	0	53	0.0	-79.44	400.67	5.02	-74.42
C[C@@H]1[C@H](C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030024857	1	53	0.0	-74.10	406.33	5.28	-68.82
CCC1=[NH+]C=CN1C(C)CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030024860	1	57	0.0	-70.60	450.62	7.26	-63.34
CC[C@@H]1[C@@H](C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030024863	0	56	0.0	-76.79	422.38	5.60	-71.19
CC[C@@H]1[C@@H](C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030024863	1	56	0.0	-76.58	422.54	5.85	-70.73
CC1CCC(C)[NH+]1CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030024883	0	56	0.0	-70.09	421.92	6.01	-64.08
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCC[NH+]1CCCC1	REAL300030024890	0	56	0.0	-76.27	434.50	6.57	-69.70
CN(CCCCN(C)C(=O)C1=CC(C[NH+](C)C)=CC=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030024891	0	56	0.0	-76.40	439.19	7.14	-69.26
C#CC[NH+]1CCC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030024899	0	55	0.0	-81.47	428.99	6.55	-74.92
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC[NH+]1CCCCC1	REAL300030024900	0	56	0.0	-75.85	428.23	6.44	-69.41
CN(CCCCN(C)C(=O)C1=CC=CC=C1C[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030024905	0	56	0.0	-69.04	438.66	7.13	-61.91
CC[N@@H+]1CCCCC1C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030024914	0	56	0.0	-69.36	422.35	6.20	-63.16
CC[N@H+]1CCCCC1C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030024914	1	56	0.0	-66.61	423.04	6.18	-60.43
CC(C)C(C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300030024915	0	62	0.0	-70.72	451.14	7.57	-63.15
CN(CCCCN(C)C(=O)C(C1=CC=CC=C1)[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030024918	1	56	0.0	-71.28	432.28	7.19	-64.09
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CN1C=[NH+]C2=C1CCCC2	REAL300030024924	1	55	0.0	-72.37	436.26	8.07	-64.30
CN(CCCCN(C)C(=O)C1(C[NH+](C)C)CCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030024967	0	62	0.0	-79.68	439.88	6.76	-72.92
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC[N@H+](C)C1CCCCC1	REAL300030024973	0	62	0.0	-77.65	463.08	7.64	-70.01
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC[N@@H+](C)C1CCCCC1	REAL300030024973	1	62	0.0	-77.59	463.07	7.62	-69.97
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1([NH+](C)C)CCCC1	REAL300030024975	0	59	0.0	-74.98	428.77	6.49	-68.49
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)C1CCC1	REAL300030025198	0	53	0.0	-69.53	411.06	5.99	-63.54
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)C1CCC1	REAL300030025198	1	53	0.0	-71.18	410.88	5.98	-65.20
CC(C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300030025229	0	59	0.0	-65.47	431.43	6.24	-59.23
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCCC[NH+]1CCCC1	REAL300030025246	0	59	0.0	-77.37	455.99	7.36	-70.01
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300030025248	1	56	0.0	-75.74	441.64	7.61	-68.13
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300030025248	1	56	0.0	-78.26	441.33	7.58	-70.68
CN(CCCCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030025263	0	53	0.0	-76.80	405.81	5.49	-71.31
CN(CCCCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030025328	0	50	0.0	-68.42	389.40	4.84	-63.58
CN(CCCCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030025328	1	50	0.0	-72.84	383.93	4.55	-68.29
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030025352	1	52	0.0	-71.62	410.08	5.74	-65.88
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030025352	1	52	0.0	-68.98	415.08	6.13	-62.85
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCC1CCC[N@@H+]1C	REAL300030025361	0	56	0.0	-72.34	427.10	6.06	-66.28
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCC1CCC[N@H+]1C	REAL300030025361	1	56	0.0	-79.57	431.92	6.53	-73.04
CN(CCCCN(C)C(=O)C12CCC[NH+](CCC1)C2)C(=O)C1=CC(=O)[N-]O1	REAL300030025373	0	57	0.0	-75.85	412.49	5.70	-70.15
CN(CCCCN(C)C(=O)C1CCC2CCCC[N@@H+]21)C(=O)C1=CC(=O)[N-]O1	REAL300030025381	0	57	0.0	-66.34	429.26	6.80	-59.54
CN(CCCCN(C)C(=O)C1CCC2CCCC[N@H+]21)C(=O)C1=CC(=O)[N-]O1	REAL300030025381	1	57	0.0	-67.30	426.27	6.50	-60.80
CCC[N@@H+]1CCCC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030025473	0	59	0.0	-66.90	438.44	7.03	-59.87
CCC[N@H+]1CCCC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030025473	1	59	0.0	-71.97	444.28	6.78	-65.19
CC(C)[N@@H+]1CCOC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030025495	0	57	0.0	-83.08	433.51	5.47	-77.61
CC(C)[N@H+]1CCOC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030025495	1	57	0.0	-83.24	433.87	5.44	-77.80
CN(CCCCN(C)C(=O)C(C)(C)C[NH+]1CCOCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030025514	0	60	0.0	-71.32	435.10	4.66	-66.66
CN(CCCCN(C)C(=O)C1CCCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030025534	0	53	0.0	-69.84	403.04	5.53	-64.31
CN(CCCCN(C)C(=O)C1CCCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030025534	1	53	0.0	-70.29	404.73	5.50	-64.79
CC(C)C[N@@H+]1CCCC1C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030025565	0	59	0.0	-72.78	438.16	6.35	-66.43
CC(C)C[N@H+]1CCCC1C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030025565	1	59	0.0	-71.33	445.56	7.02	-64.31
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCC(CO)CC1	REAL300030025586	0	57	0.0	-74.97	438.60	3.18	-71.79
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C=C1CC2CCC(C1)[NH+]2C	REAL300030025623	0	58	0.0	-74.18	437.09	6.94	-67.24
CC1C(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030025642	0	53	0.0	-74.30	402.28	5.06	-69.24
CC1C(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030025642	1	53	0.0	-74.07	401.62	5.28	-68.79
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCC1CCCC[N@@H+]1C	REAL300030025645	0	59	0.0	-75.82	439.46	6.80	-69.02
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCC1CCCC[N@H+]1C	REAL300030025645	1	59	0.0	-74.28	445.95	6.95	-67.33
CN(CCCCN(C)C(=O)C1=CC2=C(CCC2)[NH+]=C1N)C(=O)C1=CC(=O)[N-]O1	REAL300030025683	1	53	0.0	-67.78	419.87	4.73	-63.05
CN(CCCCN(C)C(=O)C1CC[N@@H+]1C(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030025765	0	56	0.0	-69.78	406.59	4.82	-64.96
CN(CCCCN(C)C(=O)C1CC[N@H+]1C(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030025765	1	56	0.0	-71.40	424.37	5.60	-65.80
C[C@@H](C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030025789	0	49	0.0	-72.22	380.93	4.33	-67.89
CN(CCCCN(C)C(=O)C1=CC=NC(C[NH+](C)C)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030025809	1	55	0.0	-75.02	436.75	5.31	-69.71
C=CCC(C)(C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030025815	0	56	0.0	-66.78	408.39	5.48	-61.30
CN(CCCCN(C)C(=O)C1=C(N)C2=CC=CC=C2[NH+]=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030025846	1	52	0.0	-66.94	418.32	4.17	-62.77
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC[NH+]1CCCC1	REAL300030025850	0	53	0.0	-75.96	413.01	5.76	-70.20
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)CCO	REAL300030025860	1	50	0.0	-74.22	392.74	1.43	-72.79
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)CCO	REAL300030025860	1	50	0.0	-72.14	392.58	1.41	-70.73
CN(CCCCN(C)C(=O)C1C[N@@H+]2CCN1CCC2)C(=O)C1=CC(=O)[N-]O1	REAL300030025905	0	56	0.0	-78.21	410.24	3.17	-75.04
CN(CCCCN(C)C(=O)C1C[N@H+]2CCN1CCC2)C(=O)C1=CC(=O)[N-]O1	REAL300030025905	1	56	0.0	-79.51	408.57	3.38	-76.13
CC(C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300030025936	1	54	0.0	-71.91	415.97	5.72	-66.19
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CC[N@H+](C)CC1	REAL300030025984	0	54	0.0	-71.91	424.08	6.39	-65.52
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CC[N@@H+](C)CC1	REAL300030025984	1	54	0.0	-70.32	424.07	6.39	-63.93
CN(CCCCN(C)C(=O)C(O)CC[S+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030026001	0	52	0.0	-76.84	426.01	3.48	-73.36
CN(CCCCN(C)C(=O)C1(C)CC(O)C[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030026025	0	54	0.0	-79.82	403.82	1.80	-78.02
CN(CCCCN(C)C(=O)C1(C)CC(O)C[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030026025	1	54	0.0	-69.34	403.59	1.00	-68.34
CN(CCCCN(C)C(=O)C1CN(C)CC[N@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030026041	0	58	0.0	-72.24	430.50	3.77	-68.47
CN(CCCCN(C)C(=O)C1CN(C)CC[N@@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030026041	1	58	0.0	-70.17	431.36	3.80	-66.37
CC(C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300030026042	0	57	0.0	-67.69	432.51	2.80	-64.89
CC(C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[N@H+]1CCCC(O)C1	REAL300030026042	1	57	0.0	-67.76	433.20	2.81	-64.95
CN(CCCCN(C)C(=O)C1=C(N)[NH+]=CC2=C1CCC2)C(=O)C1=CC(=O)[N-]O1	REAL300030026076	0	53	0.0	-70.43	425.75	4.72	-65.71
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1(O)CCC[N@H+](C)C1	REAL300030026083	0	57	0.0	-68.37	435.16	4.32	-64.05
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1(O)CCC[N@@H+](C)C1	REAL300030026083	1	57	0.0	-69.59	425.93	4.23	-65.36
CC1C[NH+](CC(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030026090	1	50	0.0	-73.91	395.93	5.09	-68.82
CC[N@@H+]1CCCC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030026098	0	56	0.0	-65.71	416.97	6.32	-59.39
CC[N@H+]1CCCC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030026098	1	56	0.0	-74.22	423.24	6.08	-68.14
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CC=C[NH+]=C1N	REAL300030026108	0	49	0.0	-69.98	398.91	3.83	-66.15
CN(CCCCN(C)C(=O)C1CCC[N@@H+]1C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030026123	0	54	0.0	-69.34	418.65	6.31	-63.03
CN(CCCCN(C)C(=O)C1CCC[N@H+]1C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030026123	1	54	0.0	-68.46	414.81	5.85	-62.61
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C=CC[NH+]1CCCC1	REAL300030026176	0	54	0.0	-75.65	426.42	6.46	-69.19
CN(CCCCN(C)C(=O)C1CC[NH+](C2CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030026205	0	57	0.0	-78.74	430.12	6.65	-72.09
CC[N@H+](C)CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030026258	0	49	0.0	-71.28	382.40	4.67	-66.61
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CN1CC2C=CC1C2	REAL300030026325	0	52	0.0	-67.79	404.36	5.87	-61.92
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+]1CC2C=CC1C2	REAL300030026325	1	52	0.0	-67.80	404.87	5.89	-61.91
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+]1CC2C=CC1C2	REAL300030026325	1	52	0.0	-67.80	404.87	5.89	-61.91
CC1=CC=C(NCCC(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)N=C1	REAL300030026350	0	55	0.0	-68.79	443.80	5.46	-63.33
CC1=CC=C(NCCC(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)[NH+]=C1	REAL300030026350	1	55	0.0	-68.79	443.80	5.46	-63.33
CN(CCCCN(C)C(=O)C12CCC[N@@H+]1CCCC2)C(=O)C1=CC(=O)[N-]O1	REAL300030026483	0	57	0.0	-66.71	413.50	5.85	-60.86
CN(CCCCN(C)C(=O)C12CCC[N@H+]1CCCC2)C(=O)C1=CC(=O)[N-]O1	REAL300030026483	1	57	0.0	-66.71	413.50	5.85	-60.86
CN(CCCCN(C)C(=O)C12CCC[N@@H+]1CC=CC2)C(=O)C1=CC(=O)[N-]O1	REAL300030026494	0	55	0.0	-68.33	406.45	5.53	-62.80
CN(CCCCN(C)C(=O)C12CCC[N@H+]1CC=CC2)C(=O)C1=CC(=O)[N-]O1	REAL300030026494	1	55	0.0	-68.33	406.45	5.53	-62.80
CC(OCC[NH+](C)C)C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030026506	0	56	0.0	-72.73	436.55	5.63	-67.10
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCOCC[NH+](C)C	REAL300030026518	0	56	0.0	-72.83	441.76	4.85	-67.98
COCCN(C)CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030026520	0	53	0.0	-71.91	414.84	3.81	-68.10
COCC[N@H+](C)CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030026520	1	53	0.0	-74.53	415.00	3.84	-70.69
COCC[N@@H+](C)CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030026520	1	53	0.0	-74.53	415.00	3.84	-70.69
CC(CCC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030026527	0	55	0.0	-72.65	421.82	5.79	-66.86
CC[N@H+](CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030026563	0	53	0.0	-71.98	406.06	5.89	-66.09
CC1C[N@@H+]2CCN1C(C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300030026583	0	56	0.0	-78.25	414.14	2.68	-75.57
CN(CCCCN(C)C(=O)C12CC(C1)C[N@@H+]2C)C(=O)C1=CC(=O)[N-]O1	REAL300030026618	0	51	0.0	-72.69	390.70	5.29	-67.40
CC1=NC(N)=CC=C1C=CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030026628	0	53	0.0	-76.35	428.82	4.70	-71.65
CC1=[NH+]C(N)=CC=C1C=CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030026628	1	53	0.0	-76.35	428.82	4.70	-71.65
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+]1CC2CCC1C2	REAL300030026637	0	54	0.0	-71.63	411.95	6.11	-65.52
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+]1CC2CCC1C2	REAL300030026637	1	54	0.0	-71.63	411.95	6.11	-65.52
CC(C)[NH+]1CCC(CC(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030026653	0	62	0.0	-72.51	458.54	7.37	-65.14
CC(C[NH+](C)C)C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030026667	0	52	0.0	-68.48	397.62	5.10	-63.38
CC[N@@H+]1CCC1C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030026728	0	50	0.0	-70.96	395.64	4.89	-66.07
CC(C)[N@@H+]1CCCC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030026742	0	59	0.0	-70.20	440.21	6.62	-63.58
CC(C)[N@H+]1CCCC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030026742	1	59	0.0	-70.20	440.21	6.62	-63.58
CCC(C)(C)[NH2+]C(C)C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030026764	0	58	0.0	-71.76	429.66	4.60	-67.16
C#CCN1CCCCC1C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030026818	0	55	0.0	-68.76	419.16	6.28	-62.48
C#CC[N@H+]1CCCCC1C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030026818	1	55	0.0	-70.04	429.36	6.69	-63.35
C#CC[N@@H+]1CCCCC1C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030026818	1	55	0.0	-70.04	429.36	6.69	-63.35
CNC1=NC(C)=CC=C1C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030026822	0	52	0.0	-66.09	416.71	4.65	-61.44
CNC1=[NH+]C(C)=CC=C1C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030026822	1	52	0.0	-66.09	416.71	4.65	-61.44
CCCC(C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030026835	0	55	0.0	-70.87	414.35	5.66	-65.21
CN(CCCCN(C)C(=O)C(C)(C)[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030026843	0	52	0.0	-72.28	383.87	4.62	-67.66
CC(CC[NH+](C)C)C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030026869	0	55	0.0	-76.82	419.79	5.65	-71.17
CN(CCCCN(C)C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C1=CC(=O)[N-]O1	REAL300030026929	0	60	0.0	-64.43	426.27	6.37	-58.06
CN(CCCCN(C)C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)C1=CC(=O)[N-]O1	REAL300030026929	1	60	0.0	-65.49	436.96	7.31	-58.18
CN(CCCCN(C)C(=O)C12CC(C1)C[N@@H+]2C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030026966	0	55	0.0	-75.23	417.92	6.21	-69.02
CN(CCCCN(C)C(=O)C12CC(C1)C[N@H+]2C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030026966	1	55	0.0	-69.88	419.08	6.24	-63.64
COCCCC[N@H+](C)CCC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030027011	0	62	0.0	-81.17	481.43	5.85	-75.32
COCCCC[N@@H+](C)CCC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030027011	1	62	0.0	-81.14	481.43	5.87	-75.27
CN(CCCCN(C)C(=O)C1CC(C)(C)C[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030027023	0	56	0.0	-71.89	425.07	5.58	-66.31
CN(CCCCN(C)C(=O)C1CC(C)(C)C[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030027023	1	56	0.0	-68.92	424.09	5.70	-63.22
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCCCC[NH+](C)C	REAL300030027029	0	58	0.0	-74.62	451.80	6.97	-67.65
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC[NH+]1CCC(O)CC1	REAL300030027034	0	57	0.0	-79.20	439.75	3.13	-76.07
CCC[N@@H+]1CCCCC1C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030027040	0	59	0.0	-66.81	443.20	6.89	-59.92
CCC[N@H+]1CCCCC1C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030027040	1	59	0.0	-68.56	433.11	6.48	-62.08
CC[NH+]1CCN(CCC(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030027050	0	61	0.0	-78.25	462.77	4.67	-73.58
CCN1CC[NH+](CCC(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030027050	1	61	0.0	-77.01	463.27	4.71	-72.30
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CN1CC[NH+](C)CC1	REAL300030027054	1	55	0.0	-75.27	424.33	3.50	-71.77
CC(C)C[NH+]1CCC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030027188	0	62	0.0	-80.21	461.96	7.57	-72.64
CC1C[N@H+](C)CC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)O1	REAL300030027191	1	54	0.0	-90.21	410.82	4.57	-85.64
CC1C[N@@H+](C)CC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)O1	REAL300030027191	1	54	0.0	-79.04	411.94	4.84	-74.20
CCC1CCC[N@H+](CC(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030027227	0	59	0.0	-71.36	446.24	7.11	-64.25
CCC1CCC[N@@H+](CC(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030027227	1	59	0.0	-73.70	446.52	7.12	-66.58
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=C(C[NH+](C)C)N1	REAL300030027238	0	54	0.0	-82.79	427.08	5.73	-77.06
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CC2CC2C1	REAL300030027261	0	51	0.0	-73.74	399.99	5.87	-67.87
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1([NH+]2CCCC2)CC1	REAL300030027280	0	57	0.0	-71.72	429.68	6.78	-64.94
CC([NH2+]C1(CO)CCCC1)C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030027298	0	60	0.0	-72.55	443.06	1.86	-70.69
CN(CCCCN(C)C(=O)C1CCCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030027331	0	53	0.0	-69.84	403.04	5.53	-64.31
CN(CCCCN(C)C(=O)C1CCCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030027331	1	53	0.0	-70.29	404.73	5.50	-64.79
CC(C)C[N@@H+]1CCCC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030027344	0	62	0.0	-67.40	456.61	7.75	-59.65
CC(C)C[N@H+]1CCCC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030027344	1	62	0.0	-71.39	462.49	7.53	-63.86
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CN1CCC([NH+](C)C)CC1	REAL300030027410	0	61	0.0	-75.07	458.01	4.69	-70.38
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C=C1CC[N@H+](C)C1	REAL300030027484	0	51	0.0	-79.06	402.70	5.54	-73.52
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C=C1CC[N@@H+](C)C1	REAL300030027484	1	51	0.0	-76.50	402.01	5.58	-70.92
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CNC1=CC=[NH+]C=C1	REAL300030027490	0	49	0.0	-72.17	400.65	3.29	-68.88
CC[NH+]1CCN(CC(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030027560	0	58	0.0	-73.72	441.42	4.18	-69.54
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C=C1C[NH+]2CCC1CC2	REAL300030027563	0	55	0.0	-69.21	420.25	6.43	-62.78
CN(CCCCN(C)C(=O)C1([NH+](C)C)CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030027615	0	56	0.0	-78.64	407.30	5.96	-72.68
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300030027632	0	57	0.0	-71.72	436.26	3.22	-68.50
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O	REAL300030027632	1	57	0.0	-68.61	435.73	3.40	-65.21
CCC1C[NH+](CC(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030027640	0	53	0.0	-74.67	417.34	5.85	-68.82
CN(CCCCN(C)C(=O)C1C[NH+](C2CCOCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030027644	0	58	0.0	-80.38	446.65	4.91	-75.47
CN(CCCCN(C)C(=O)C1([NH+]2CCCC2)CCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030027646	0	57	0.0	-70.06	416.86	6.26	-63.80
CN(CCCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030027662	0	50	0.0	-70.88	384.44	4.55	-66.33
CN(CCCCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030027662	1	50	0.0	-68.03	387.91	4.82	-63.21
CC[N@@H+]1CCOCC1CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030027702	0	57	0.0	-79.52	433.53	4.54	-74.98
CN(CCCCN(C)C(=O)C1C[NH+](C2CCCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030027730	0	60	0.0	-75.29	455.71	7.31	-67.98
COC1C[N@@H+]2CCCC2(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030027747	0	58	0.0	-70.03	435.70	4.43	-65.60
COC1C[N@H+]2CCCC2(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030027747	1	58	0.0	-70.03	435.70	4.43	-65.60
CN(CCCCN(C)C(=O)C1=CC=C2NC(N)=NC2=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030027819	0	50	0.0	-77.37	407.20	4.92	-72.45
CN(CCCCN(C)C(=O)C1=CC=C2NC(N)=[NH+]C2=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030027819	1	50	0.0	-77.37	407.20	4.92	-72.45
CN(CCCCN(C)C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030027868	0	53	0.0	-76.62	413.06	5.72	-70.90
CN(CCCCN(C)C(=O)C1(CC[NH+](C)C)CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030027881	0	62	0.0	-80.45	457.67	7.08	-73.37
CC1CCCC(C)[NH+]1CCC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030027883	0	62	0.0	-73.32	455.25	7.10	-66.22
CN(CCCCN(C)C(=O)C1CCC([NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030027886	0	59	0.0	-82.76	438.59	6.56	-76.20
CN(CCCCN(C)C(=O)C1(CC[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030027887	0	56	0.0	-75.24	436.86	6.42	-68.82
CN(CCCCN(C)C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030027892	0	59	0.0	-69.23	432.85	6.48	-62.75
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC=CC[N@@H+]1C	REAL300030027893	0	54	0.0	-75.34	416.92	6.11	-69.23
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC=CC[N@H+]1C	REAL300030027893	1	54	0.0	-79.06	415.98	6.10	-72.96
CC1=CC(C=CC(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)=C[NH+]=C1N	REAL300030027956	1	53	0.0	-80.16	429.01	5.00	-75.16
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)COCC[NH+](C)C	REAL300030027971	0	53	0.0	-72.72	420.81	5.14	-67.58
CCCCC[N@H+](C)CCC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030027978	0	61	0.0	-78.19	469.26	7.56	-70.63
CCCCC[N@@H+](C)CCC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030027978	1	61	0.0	-78.17	469.26	7.58	-70.59
CN(CCCCN(C)C(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1)C(=O)C1=CC(=O)[N-]O1	REAL300030027992	0	57	0.0	-77.32	440.75	5.84	-71.48
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CN1C=CSC1=[NH2+]	REAL300030028023	0	46	0.0	-70.02	391.74	4.18	-65.84
C[C@@H](OCC[NH+](C)C)C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030028117	0	56	0.0	-73.28	435.21	5.58	-67.70
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC[NH+]1CCCCCC1	REAL300030028186	0	59	0.0	-77.82	438.68	6.68	-71.14
CN(CCCCN(C)C(=O)C1CCC[N@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030028192	0	53	0.0	-66.07	398.98	5.56	-60.51
CN(CCCCN(C)C(=O)C1CCC[N@@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030028192	1	53	0.0	-66.07	398.98	5.56	-60.51
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCCCCC1	REAL300030028200	0	56	0.0	-72.64	415.74	6.05	-66.59
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N+]1=CN(C)C=C1	REAL300030028207	0	48	0.0	-71.64	395.90	7.51	-64.13
CN(CCCCN(C)C(=O)C(C)(C)C1CCC[N@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030028226	0	62	0.0	-74.48	445.22	6.62	-67.86
CN(CCCCN(C)C(=O)C(C)(C)C1CCC[N@@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030028226	1	62	0.0	-74.48	445.22	6.62	-67.86
CN(C)CC1=CC=C(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)O1	REAL300030028232	0	53	0.0	-86.41	426.53	5.92	-80.49
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300030028232	1	53	0.0	-86.41	426.53	5.92	-80.49
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)C1CC1	REAL300030028265	0	50	0.0	-70.44	393.94	5.41	-65.03
CC(C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)N1CCN(C)CC1	REAL300030028267	0	58	0.0	-73.08	438.47	3.82	-69.26
CC(C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300030028267	1	58	0.0	-73.08	438.47	3.82	-69.26
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC[N@@H+]1CCC(F)C1	REAL300030028271	0	53	0.0	-78.32	419.12	5.85	-72.47
COC1C[N@H+](C)C(C)(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030028287	0	57	0.0	-67.71	425.51	3.80	-63.91
CC(CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030028310	0	55	0.0	-77.43	421.82	6.05	-71.38
CN(CCCCN(C)C(=O)C1CC[N@@H+]2CCOCC12)C(=O)C1=CC(=O)[N-]O1	REAL300030028332	0	55	0.0	-76.22	420.39	4.13	-72.09
CN(CCCCN(C)C(=O)C1CC[N@H+]2CCOCC12)C(=O)C1=CC(=O)[N-]O1	REAL300030028332	1	55	0.0	-76.22	420.39	4.13	-72.09
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1COCCN1C	REAL300030028361	0	54	0.0	-69.65	407.78	3.69	-65.96
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1COCC[N@@H+]1C	REAL300030028361	1	54	0.0	-69.18	408.64	3.72	-65.46
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1COCC[N@H+]1C	REAL300030028361	1	54	0.0	-69.18	408.64	3.72	-65.46
CC1=CC(N)=NC=C1C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030028443	0	49	0.0	-72.22	395.97	3.33	-68.89
CC1=CC(N)=[NH+]C=C1C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030028443	1	49	0.0	-72.22	395.97	3.33	-68.89
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300030028504	0	54	0.0	-74.00	421.94	2.39	-71.61
CN(CCCCN(C)C(=O)C1=CC=NN1CC[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030028512	0	56	0.0	-68.97	439.27	5.19	-63.78
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1C[NH+](C)C1	REAL300030028548	0	50	0.0	-73.25	396.38	4.87	-68.38
CN(CCCCN(C)C(=O)C1CC[N@@H+]1C1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030028554	0	57	0.0	-72.46	428.04	6.45	-66.01
CN(CCCCN(C)C(=O)C1CC[N@H+]1C1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030028554	1	57	0.0	-72.46	428.04	6.45	-66.01
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC[N@H+](C)CCO	REAL300030028609	0	53	0.0	-75.75	414.97	2.05	-73.70
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC[N@@H+](C)CCO	REAL300030028609	1	53	0.0	-75.75	414.97	2.05	-73.70
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CCCC[N@@H+]1C	REAL300030028635	0	56	0.0	-74.43	424.51	6.24	-68.19
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CCCC[N@H+]1C	REAL300030028635	1	56	0.0	-74.43	424.51	6.24	-68.19
CC1=C2C=C(C(=O)N(C)CCCCN(C)C(=O)C3=CC(=O)[N-]O3)C=CN2C=N1	REAL300030028667	0	51	0.0	-79.46	421.46	7.96	-71.50
CC1=C2C=C(C(=O)N(C)CCCCN(C)C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030028667	1	51	0.0	-79.46	421.46	7.96	-71.50
CC1CC[N@@H+]1CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030028674	0	50	0.0	-69.25	390.70	4.81	-64.44
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C=CC[NH+](C)C	REAL300030028694	0	50	0.0	-80.31	399.81	5.24	-75.07
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CN1CC(C)(C)C1	REAL300030028709	0	53	0.0	-74.19	415.27	5.61	-68.58
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CC(C)(C)C1	REAL300030028709	1	53	0.0	-74.19	415.27	5.61	-68.58
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCCC[NH+]1CCCCC1	REAL300030028723	0	62	0.0	-77.58	471.22	8.03	-69.55
CC1=C(C)NC(CCC(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)=N1	REAL300030028737	0	54	0.0	-70.70	434.90	5.33	-65.37
CC1=C(C)[NH+]=C(CCC(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)N1	REAL300030028737	1	54	0.0	-70.70	434.90	5.33	-65.37
CN(CCCCN(C)C(=O)C1(C2CC[NH+](C)CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030028750	0	60	0.0	-81.04	448.80	7.20	-73.84
CC1=C2C=C(C(=O)N(C)CCCCN(C)C(=O)C3=CC(=O)[N-]O3)C=CN2C=N1	REAL300030028760	0	51	0.0	-79.46	421.46	7.96	-71.50
CC1=C2C=C(C(=O)N(C)CCCCN(C)C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030028760	1	51	0.0	-79.46	421.46	7.96	-71.50
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CSCC[NH+](C)C	REAL300030028772	0	53	0.0	-78.13	431.83	6.01	-72.12
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+]1CCCC1CO	REAL300030028801	0	54	0.0	-72.87	420.38	2.56	-70.31
CC[NH+](CC)CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030028804	0	52	0.0	-69.58	396.03	5.07	-64.51
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)C1CCSC1	REAL300030028815	0	54	0.0	-76.70	424.42	6.25	-70.45
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CN1CCC1	REAL300030028817	0	47	0.0	-74.00	374.76	4.42	-69.58
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCC1	REAL300030028817	1	47	0.0	-74.00	374.76	4.42	-69.58
CC[NH+](CC)CCC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030028877	0	55	0.0	-72.69	422.40	5.96	-66.73
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCC(C(N)=O)CC1	REAL300030028902	0	57	0.0	-88.67	442.83	2.55	-86.12
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(C[NH+](C)C)=CN1	REAL300030028956	0	54	0.0	-77.56	426.89	5.63	-71.93
CC(C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300030028978	0	57	0.0	-75.56	433.66	2.81	-72.75
CN(CCCCN(C)C(=O)C1CC2COCC[N@@H+]2C1)C(=O)C1=CC(=O)[N-]O1	REAL300030028986	0	55	0.0	-74.29	419.71	4.17	-70.12
CN(CCCCN(C)C(=O)C1CC2COCC[N@H+]2C1)C(=O)C1=CC(=O)[N-]O1	REAL300030028986	1	55	0.0	-74.17	418.96	4.15	-70.02
CC(C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030029005	0	50	0.0	-71.64	390.28	4.89	-66.75
CCC(CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030029016	0	58	0.0	-68.21	439.41	6.64	-61.57
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C=CC1=CC=C(N)[NH+]=C1	REAL300030029024	0	50	0.0	-81.15	411.21	4.24	-76.91
CN(CCCCN(C)C(=O)C(C)(C)C[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030029025	0	55	0.0	-68.52	402.43	5.19	-63.33
CN(CCCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030029099	0	53	0.0	-68.28	404.94	5.58	-62.70
CN(CCCCN(C)C(=O)[C@H]1CCCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030029099	1	53	0.0	-71.15	397.25	5.24	-65.91
CC1CN2CC[N@@H+]1CC2C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030029116	0	56	0.0	-75.91	414.90	2.64	-73.27
CC1CN2CC[N@H+]1CC2C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030029116	1	56	0.0	-82.15	412.29	2.53	-79.62
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC(O)C[NH+](C)C	REAL300030029146	0	53	0.0	-77.76	417.40	3.08	-74.68
CN(CCCCN(C)C(=O)C1CC2CCC(C1)[NH+]2C)C(=O)C1=CC(=O)[N-]O1	REAL300030029149	0	57	0.0	-68.99	401.33	5.99	-63.00
C=CCC(C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030029198	0	53	0.0	-69.17	405.24	5.38	-63.79
CN(CCCCN(C)C(=O)C1CC2CCCC[N@@H+]2C1)C(=O)C1=CC(=O)[N-]O1	REAL300030029210	0	57	0.0	-73.06	428.41	6.55	-66.51
CN(CCCCN(C)C(=O)C1CC2CCCC[N@H+]2C1)C(=O)C1=CC(=O)[N-]O1	REAL300030029210	1	57	0.0	-78.71	428.82	6.56	-72.15
CN(CCCCN(C)C(=O)C1(C)CC[NH+](C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030029224	0	56	0.0	-73.23	412.41	5.54	-67.69
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1(O)CC[NH+](C)CC1	REAL300030029229	0	57	0.0	-77.06	435.11	4.28	-72.78
COCC[N@@H+]1CCCC1CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030029245	0	60	0.0	-72.62	453.89	5.40	-67.22
COCC[N@H+]1CCCC1CC(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030029245	1	60	0.0	-70.58	463.48	5.46	-65.12
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC2CCC(C1)[NH+]2C	REAL300030029259	0	60	0.0	-77.47	430.12	6.48	-70.99
CN(CCCCN(C)C(=O)C1=CC=NN1CC[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030029299	0	56	0.0	-68.97	439.27	5.19	-63.78
CN(CCCCN(C)C(=O)C1(C2CC[NH+](C)CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030029346	0	60	0.0	-81.04	448.80	7.20	-73.84
CC1=C2C=C(C(=O)N(C)CCCCN(C)C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030029358	1	51	0.0	-79.46	421.46	7.96	-71.50
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CSCC[NH+](C)C	REAL300030029369	0	53	0.0	-78.13	431.83	6.01	-72.12
CN(CCCCN(C)C(=O)C1CC2COCC[N@@H+]2C1)C(=O)C1=CC(=O)[N-]O1	REAL300030029381	0	55	0.0	-74.29	419.71	4.17	-70.12
CN(CCCCN(C)C(=O)C1CC2COCC[N@H+]2C1)C(=O)C1=CC(=O)[N-]O1	REAL300030029381	1	55	0.0	-74.17	418.96	4.15	-70.02
C[N@@H+]1CCCC1C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030029541	0	43	0.0	-70.38	354.98	1.73	-68.65
C[N@H+]1CCCC1C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030029541	1	43	0.0	-67.07	354.91	1.83	-65.24
C[N@@H+]1CCOC(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030029565	1	44	0.0	-72.57	372.28	1.74	-70.83
C[N@H+]1CCOC(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030029565	1	44	0.0	-62.14	365.17	1.58	-60.56
CC(C)C1=[NH+]C=CN1CCC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030029746	1	50	0.0	-61.89	420.34	4.45	-57.44
CC(C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300030029753	0	52	0.0	-63.65	405.99	4.07	-59.58
CC(C)[N@@H+]1CCCCC1C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030029755	0	52	0.0	-61.63	408.07	3.78	-57.85
CC(C)[N@H+]1CCCCC1C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030029755	1	52	0.0	-66.30	401.94	3.76	-62.54
CC(C)[N@@H+]1CCCC1C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030029785	0	49	0.0	-69.02	387.77	3.48	-65.54
CC(C)[N@H+]1CCCC1C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030029785	1	49	0.0	-67.18	393.84	3.32	-63.86
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@@H+]2C1	REAL300030029809	0	50	0.0	-68.99	402.32	3.97	-65.02
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@H+]2C1	REAL300030029809	1	50	0.0	-68.11	402.41	4.04	-64.07
CC(C)C1=[NH+]C=CN1CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030029840	1	47	0.0	-61.74	400.56	4.02	-57.72
CC1=[NH+]C=CN1CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030029890	1	41	0.0	-62.41	364.33	2.91	-59.50
CC(C[NH+]1CCOCC1)C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030029892	0	50	0.0	-65.29	405.61	2.14	-63.15
O=C(CCC[NH+]1CCCCC1)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030029914	0	52	0.0	-67.87	419.95	4.48	-63.39
CC(C)(C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300030029939	0	52	0.0	-63.00	404.25	4.27	-58.73
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+]2CCC1CC2	REAL300030029957	0	47	0.0	-65.97	376.27	3.09	-62.88
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC2CCC[N@@H+]21	REAL300030030011	0	50	0.0	-59.56	399.48	4.12	-55.44
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC2CCC[N@H+]21	REAL300030030011	1	50	0.0	-68.11	391.67	3.77	-64.34
C[NH+](C)CCN1C=C(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300030030013	0	49	0.0	-75.22	419.21	2.78	-72.44
C[NH+](C)CCN1C=CC(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030030027	0	49	0.0	-77.01	419.59	2.79	-74.22
C[C@@H]1[C@H](C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030030033	0	46	0.0	-75.78	371.52	2.16	-73.62
C[C@@H]1[C@H](C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030030033	1	46	0.0	-69.98	377.96	2.57	-67.41
CCC1=[NH+]C=CN1C(C)CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030030036	1	50	0.0	-61.62	420.85	4.50	-57.12
CC[C@@H]1[C@@H](C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030030039	0	49	0.0	-73.50	391.94	2.89	-70.61
CC[C@@H]1[C@@H](C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030030039	1	49	0.0	-73.07	397.16	3.22	-69.85
CC[N@@H+]1CCOC(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030030063	1	47	0.0	-70.69	390.09	2.40	-68.29
CC[N@H+]1CCOC(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030030063	1	47	0.0	-75.10	390.06	2.38	-72.72
CC[NH+](CC)CC(F)C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030030120	0	48	0.0	-72.62	394.25	2.93	-69.69
C[NH+](C)CC1=C(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)SC=C1	REAL300030030121	0	46	0.0	-59.53	400.52	3.86	-55.67
CC1CCC(C)[NH+]1CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030030219	0	49	0.0	-62.37	391.67	3.16	-59.21
O=C(CCC[NH+]1CCCC1)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030030226	0	49	0.0	-67.64	404.73	3.82	-63.82
C[NH+](C)CC1=CC=CC(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030030227	0	49	0.0	-70.12	413.06	4.77	-65.35
C#CC[NH+]1CCC(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030030234	0	48	0.0	-71.61	404.15	4.08	-67.53
O=C(CC[NH+]1CCCCC1)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030030235	0	49	0.0	-67.15	398.45	3.70	-63.45
C[NH+](C)CC1=CC=CC=C1C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030030239	0	49	0.0	-58.57	405.78	5.00	-53.57
CC[N@@H+]1CCCCC1C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030030248	0	49	0.0	-67.56	394.76	3.42	-64.14
CC[N@H+]1CCCCC1C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030030248	1	49	0.0	-60.26	394.68	3.52	-56.74
CC(C)C(C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300030030249	0	55	0.0	-63.28	423.76	5.37	-57.91
C[NH+](C)C(C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300030030252	1	49	0.0	-62.47	409.63	4.78	-57.69
CC(C)C[N@@H+]1CCC(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030030275	0	52	0.0	-65.86	419.77	4.24	-61.62
CC(C)C[N@H+]1CCC(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030030275	1	52	0.0	-66.33	420.87	4.24	-62.09
C[NH+](C)C1(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300030030279	0	46	0.0	-66.76	365.75	2.82	-63.94
C[NH+](C)C(CN1C=CC=N1)C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030030281	1	49	0.0	-63.15	408.10	2.62	-60.53
CC(C)[N@@H+]1CCCC1CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030030286	0	52	0.0	-62.17	405.38	3.40	-58.77
CC(C)[N@H+]1CCCC1CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030030286	1	52	0.0	-64.97	414.23	3.92	-61.05
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@@H+]1C1CCCC1	REAL300030030287	0	53	0.0	-71.04	410.98	4.54	-66.50
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@H+]1C1CCCC1	REAL300030030287	1	53	0.0	-69.13	420.93	4.59	-64.54
CC(C)[C@@H](C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030030308	0	48	0.0	-66.68	384.26	3.52	-63.16
C[N@H+](CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030030369	0	46	0.0	-63.93	381.13	3.27	-60.66
C[N@@H+](CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030030369	1	46	0.0	-64.84	381.02	3.26	-61.58
CC(C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300030030449	0	52	0.0	-60.97	405.59	3.63	-57.34
CN(CCC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300030030517	0	48	0.0	-67.15	409.64	2.96	-64.19
C[N@@H+]1CCCC1CCC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030030538	0	49	0.0	-75.26	402.37	3.70	-71.56
C[N@H+]1CCCC1CCC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030030538	1	49	0.0	-71.48	396.91	3.22	-68.26
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[NH+](CCC1)C2	REAL300030030550	0	50	0.0	-67.94	392.29	3.48	-64.46
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC2CCCC[N@@H+]21	REAL300030030558	0	50	0.0	-68.56	395.85	3.67	-64.89
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC2CCCC[N@H+]21	REAL300030030558	1	50	0.0	-66.60	402.83	4.14	-62.46
CC(C)(C[NH+]1CCOCC1)C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030030566	0	53	0.0	-69.75	415.78	2.28	-67.47
O=C(CCCC[NH+]1CCCC1)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030030586	0	52	0.0	-68.52	426.22	4.60	-63.92
C[N@H+](CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300030030588	1	49	0.0	-69.94	411.56	4.88	-65.06
C[N@@H+](CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300030030588	1	49	0.0	-70.35	411.56	4.88	-65.47
C[NH+]1CCC(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030030603	0	46	0.0	-68.61	379.48	2.94	-65.67
C[NH+](C)CC1=CC(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300030030660	1	45	0.0	-75.26	392.98	2.25	-73.01
CC1=C(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300030030662	0	44	0.0	-67.88	378.98	5.15	-62.73
C[N@@H+]1CCCCC1C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030030701	0	46	0.0	-68.68	376.93	2.79	-65.89
C[N@H+]1CCCCC1C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030030701	1	46	0.0	-61.32	376.87	2.89	-58.43
CC(C)C[N@@H+]1CCCC1C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030030731	0	52	0.0	-62.92	413.86	3.93	-58.99
CC(C)C[N@H+]1CCCC1C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030030731	1	52	0.0	-69.82	413.92	3.84	-65.98
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN2C=[NH+]C=C2C=C1	REAL300030030877	0	41	0.0	-68.63	365.07	4.78	-63.85
CC1=[NH+]C=CN1CCCC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030030889	1	47	0.0	-64.44	405.87	4.20	-60.24
O=C(CCCC[NH+]1CCOCC1)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030030893	1	53	0.0	-71.81	433.17	2.89	-68.92
C[NH+](C)CC1=CC=C(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300030030899	0	49	0.0	-74.29	413.04	4.78	-69.51
O=C(CC[NH+]1CCOCC1)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030030900	1	47	0.0	-70.64	390.17	1.29	-69.35
CCC[NH+](CCC)CCCC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030030923	0	57	0.0	-73.44	453.06	5.13	-68.31
CC1=C[NH+]=CN1CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030030943	1	41	0.0	-67.09	363.62	3.59	-63.50
O=C(CN1C=[NH+]C2=C1CCCC2)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030030952	1	48	0.0	-66.52	406.47	5.36	-61.16
C[NH+](C)CC1(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCCC1	REAL300030030994	0	55	0.0	-73.89	419.40	4.96	-68.93
C[N@H+](CCC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300030031000	0	55	0.0	-68.80	433.32	4.89	-63.91
C[N@@H+](CCC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300030031000	1	55	0.0	-68.11	433.31	4.88	-63.23
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[NH+]1CCC2	REAL300030031003	0	47	0.0	-63.45	379.49	3.27	-60.18
C[NH+](C)C1CCCC(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030031042	0	52	0.0	-66.82	413.73	4.12	-62.70
C[N@@H+]1CCC(CC(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030031046	0	46	0.0	-68.25	381.69	2.88	-65.37
C[N@H+]1CCC(CC(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030031046	1	46	0.0	-68.15	381.27	2.88	-65.27
CN(C)C1=CC=[NH+]C=C1C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030031059	0	45	0.0	-71.83	385.62	2.08	-69.75
CCC(C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030031065	0	45	0.0	-69.01	365.70	2.13	-66.88
C[NH+](C)C1(CC(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030031085	0	52	0.0	-58.29	403.12	3.98	-54.31
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC2=C[NH+]=CN2C=C1	REAL300030031146	1	41	0.0	-72.04	365.34	4.80	-67.24
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300030031187	1	44	0.0	-78.08	394.60	2.72	-75.36
C[NH+](C)CCCCC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030031218	0	48	0.0	-74.56	400.34	3.34	-71.22
CC(C)C(C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030031239	0	48	0.0	-69.78	384.60	3.27	-66.51
CCC[N@H+](C)CCC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030031241	0	48	0.0	-68.60	396.50	3.23	-65.37
CCC[N@@H+](C)CCC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030031241	1	48	0.0	-68.38	396.49	3.24	-65.14
CCC[N@H+](C)CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030031247	0	45	0.0	-66.21	374.13	2.70	-63.51
CCC[N@@H+](C)CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030031247	1	45	0.0	-66.46	374.13	2.70	-63.76
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@H+](C1)CCC2	REAL300030031276	0	47	0.0	-72.78	376.84	2.51	-70.27
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@@H+](C1)CCC2	REAL300030031276	1	47	0.0	-73.16	376.62	2.41	-70.75
C[N@@H+]1CCC[C@@H]1C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030031334	0	43	0.0	-62.89	354.90	1.83	-61.06
C[N@H+]1CCC[C@@H]1C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030031334	1	43	0.0	-62.63	361.37	2.29	-60.34
CC1CC2CCC(C(=O)NCC(F)=C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300030031359	0	53	0.0	-60.32	417.14	4.82	-55.50
CC1CC2CCC(C(=O)NCC(F)=C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300030031359	1	53	0.0	-65.22	423.26	4.59	-60.63
CCCCCC[N@H+](C)CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030031404	0	54	0.0	-67.36	438.63	5.05	-62.31
CCCCCC[N@@H+](C)CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030031404	1	54	0.0	-67.58	438.62	5.05	-62.53
CC[NH+](CC)C(C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300030031412	0	54	0.0	-65.07	416.18	4.42	-60.65
CC[NH+](CC)CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030031421	0	45	0.0	-70.21	366.57	2.28	-67.93
CCC[N@@H+]1CCCC(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030031454	0	52	0.0	-65.98	418.65	4.30	-61.68
CCC[N@H+]1CCCC(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030031454	1	52	0.0	-62.38	412.38	4.51	-57.87
CC(C)[N@@H+]1CCOC(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030031476	0	50	0.0	-69.35	399.75	2.73	-66.62
CC(C)[N@H+]1CCOC(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030031476	1	50	0.0	-73.08	406.83	2.93	-70.15
CC1CC[NH+](CC(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030031514	0	49	0.0	-66.46	397.47	3.77	-62.69
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300030031542	1	44	0.0	-75.67	394.20	2.73	-72.94
C[NH+]1CCC(OCC(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030031551	0	50	0.0	-73.13	414.85	3.38	-69.75
C[NH+](C)CC1(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030031567	0	46	0.0	-60.79	385.54	3.01	-57.78
CC1=[NH+]C=C2CCC(C(=O)NCC(F)=C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300030031568	1	48	0.0	-61.86	402.54	4.02	-57.84
CC(C)[NH+]1CCC(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030031664	0	52	0.0	-66.01	410.15	3.90	-62.11
C[NH+]1CCC(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030031692	0	46	0.0	-68.61	379.48	2.94	-65.67
CC(C)[C@H](C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030031713	0	48	0.0	-62.06	381.18	3.17	-58.89
CCC(C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030031748	0	51	0.0	-65.39	401.10	3.48	-61.91
CC[N@H+](C)CCC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030031831	0	45	0.0	-67.92	375.00	2.50	-65.42
CC[N@@H+](C)CCC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030031831	1	45	0.0	-67.77	375.00	2.49	-65.28
CC1CCC[N@@H+]1CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030031900	0	46	0.0	-68.76	381.01	2.85	-65.91
CC1CCC[N@H+]1CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030031900	1	46	0.0	-69.29	380.14	2.97	-66.32
CC1CC[N@H+](CC(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030031902	0	46	0.0	-65.55	380.13	3.02	-62.53
CC1CC[N@@H+](CC(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030031902	1	46	0.0	-65.58	380.14	3.03	-62.55
CC(C)(C)[N@@H+]1CCC(F)(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030031903	0	52	0.0	-65.12	417.02	3.56	-61.56
CC(C)(C)[N@H+]1CCC(F)(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030031903	1	52	0.0	-65.23	416.73	3.60	-61.63
CC1=[NH+]C=C2CC(C(=O)NCC(F)=C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300030031905	1	48	0.0	-65.27	403.42	4.01	-61.26
CC1(C)CC[N@H+](CC(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030031908	0	49	0.0	-71.25	400.01	3.46	-67.79
CC1(C)CC[N@@H+](CC(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030031908	1	49	0.0	-71.18	399.90	3.45	-67.73
C[N@H+](CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030031909	0	51	0.0	-65.90	402.74	3.69	-62.21
C[N@@H+](CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030031909	1	51	0.0	-66.15	404.53	3.78	-62.37
CC[C@@H](C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030031920	0	45	0.0	-64.67	365.33	2.33	-62.34
CC(COCC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300030031928	0	53	0.0	-66.41	432.06	4.01	-62.40
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[NH+](CC2CC2)CC1	REAL300030032013	0	53	0.0	-69.24	428.68	5.15	-64.09
C[NH+]1CCC(O)(CC(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030032154	0	50	0.0	-64.11	402.53	1.69	-62.42
COCC[N@@H+]1CCCC1CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030032161	0	53	0.0	-65.48	430.45	2.91	-62.57
COCC[N@H+]1CCCC1CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030032161	1	53	0.0	-66.11	433.31	2.72	-63.39
C[NH+](C)CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030032169	0	39	0.0	-72.32	334.98	1.20	-71.12
O=C(C[NH+]1CCC(CO)CC1)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030032174	1	50	0.0	-69.70	408.69	0.46	-69.24
O=C(C[NH+]1CCCCCC1)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030032178	0	49	0.0	-65.04	385.98	3.35	-61.69
CN1C=C[N+](CC(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030032183	0	41	0.0	-63.42	366.14	4.80	-58.62
C[N@@H+]1CCCC(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030032194	0	46	0.0	-67.02	379.50	2.90	-64.12
C[N@H+]1CCCC(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030032194	1	46	0.0	-62.77	373.21	3.11	-59.66
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@@H+]1C1CC1	REAL300030032199	0	47	0.0	-72.40	387.91	3.30	-69.10
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@H+]1C1CC1	REAL300030032199	1	47	0.0	-69.39	385.45	3.05	-66.34
CC(C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030032234	1	43	0.0	-65.47	365.24	2.29	-63.18
CCC(CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030032243	0	51	0.0	-78.16	409.82	3.82	-74.34
C[NH+](C)CC(C)(C)C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030032251	0	48	0.0	-72.08	384.81	2.94	-69.14
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC(C1)C[N@@H+]2C1CC1	REAL300030032271	0	48	0.0	-70.50	393.13	3.91	-66.59
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC(C1)C[N@H+]2C1CC1	REAL300030032271	1	48	0.0	-63.80	392.18	4.80	-59.00
O=C(C[NH+]1CCC(O)CC1)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030032291	1	47	0.0	-70.32	388.10	-0.18	-70.50
C[N@H+](CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030032292	0	43	0.0	-63.87	364.31	2.68	-61.19
C[N@@H+](CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030032292	1	43	0.0	-63.82	364.17	2.69	-61.13
CC(C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300030032293	1	51	0.0	-67.79	408.16	1.12	-66.67
C[NH+]1CC(CC(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030032318	0	43	0.0	-68.87	366.34	2.11	-66.76
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+]1C1CCCC1	REAL300030032322	0	50	0.0	-66.49	406.89	4.22	-62.27
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+]1C1CCCC1	REAL300030032322	1	50	0.0	-65.33	405.52	4.07	-61.26
CC(C)(C)[N@@H+]1CCC1C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030032330	0	49	0.0	-62.20	396.91	3.04	-59.16
CC(C)(C)[N@H+]1CCC1C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030032330	1	49	0.0	-62.10	380.38	2.44	-59.66
C[C@@H](C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030032343	0	42	0.0	-65.92	353.00	1.68	-64.24
CCC1CCC[N@H+](CC(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030032392	0	52	0.0	-66.24	408.42	3.97	-62.27
CCC1CCC[N@@H+](CC(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030032392	1	52	0.0	-66.16	415.87	4.41	-61.75
C[NH+](C)CC1=CC=C(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030032401	0	47	0.0	-76.73	401.48	2.71	-74.02
C[NH+]1C2CCC1CC(CC(=O)NCC(F)=C1CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030032415	0	53	0.0	-63.99	400.59	3.75	-60.24
[NH2+]=C1SC=CN1CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030032459	0	39	0.0	-61.07	361.98	1.48	-59.59
C[N@H+](CCO)CCC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030032472	0	46	0.0	-67.16	385.35	-0.71	-67.87
C[N@@H+](CCO)CCC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030032472	1	46	0.0	-67.86	385.31	-0.72	-68.58
C[C@@H](C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030032473	0	42	0.0	-65.92	353.00	1.68	-64.24
C[N@@H+]1CCCC[C@@H]1C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030032477	0	46	0.0	-69.30	367.64	2.62	-66.68
C[N@H+]1CCCC[C@@H]1C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030032477	1	46	0.0	-68.03	376.92	2.79	-65.24
CC1CN2CC[N@@H+]1CC2C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030032487	0	49	0.0	-72.23	387.68	0.27	-71.96
CC1CN2CC[N@H+]1CC2C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030032487	1	49	0.0	-73.08	386.20	0.19	-72.89
COC1C[N@@H+]2CCCC2(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030032531	0	51	0.0	-63.62	412.80	2.23	-61.39
COC1C[N@H+]2CCCC2(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030032531	1	51	0.0	-72.73	412.95	2.15	-70.58
O=C(CC1=CC2=C[NH+]=CN2C=C1)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030032546	0	44	0.0	-66.90	389.30	5.47	-61.43
C[N@H+](CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300030032574	0	47	0.0	-70.08	394.39	3.52	-66.56
C[N@@H+](CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300030032574	1	47	0.0	-71.68	394.19	3.53	-68.15
C[NH+](C)CC1=CC(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC=N1	REAL300030032612	1	48	0.0	-67.62	409.04	3.32	-64.30
C[N@@H+]1CCC(=CC(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030032614	0	44	0.0	-71.18	373.76	2.82	-68.36
C[N@H+]1CCC(=CC(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030032614	1	44	0.0	-70.50	373.87	2.83	-67.67
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+](C2CCCCC2)C1	REAL300030032640	0	53	0.0	-69.32	427.16	4.60	-64.72
C[NH+](C)CCOCC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030032656	0	46	0.0	-71.45	390.85	2.26	-69.19
CCCCC[N@H+](C)CCC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030032663	0	54	0.0	-69.46	439.49	4.82	-64.64
CCCCC[N@@H+](C)CCC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030032663	1	54	0.0	-69.27	439.50	4.81	-64.46
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030032673	0	50	0.0	-73.14	413.96	3.16	-69.98
C=CCC(C)(C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030032683	0	49	0.0	-65.78	390.35	3.27	-62.51
C[S+](C)CCC(O)C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030032688	0	45	0.0	-77.36	399.83	0.86	-76.50
CN1CC(O)CC1(C)C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030032721	0	47	0.0	-74.85	382.90	-0.41	-75.26
C[N@@H+]1CC(O)CC1(C)C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030032721	1	47	0.0	-77.82	382.54	-0.50	-78.32
C[N@H+]1CC(O)CC1(C)C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030032721	1	47	0.0	-77.82	382.54	-0.50	-78.32
CN1CC[N@H+](C)CC(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030032736	0	51	0.0	-65.50	404.86	1.46	-64.04
CN1CC[N@@H+](C)CC(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030032736	1	51	0.0	-65.50	404.86	1.46	-64.04
CC(C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)N1CCCC(O)C1	REAL300030032737	0	50	0.0	-71.30	405.86	0.11	-71.19
CC(C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300030032737	1	50	0.0	-68.73	405.86	0.10	-68.63
CC(C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300030032737	1	50	0.0	-68.73	405.86	0.10	-68.63
O=C(CN1CCC(CO)CC1)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030032752	0	50	0.0	-69.70	408.69	0.46	-69.24
O=C(C[NH+]1CCC(CO)CC1)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030032752	1	50	0.0	-69.70	408.69	0.46	-69.24
C[N@@H+]1CCCC(O)(CC(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030032762	0	50	0.0	-60.76	405.23	1.64	-59.12
C[N@H+]1CCCC(O)(CC(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030032762	1	50	0.0	-60.76	405.23	1.64	-59.12
CC1CN(CC(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030032766	0	43	0.0	-66.93	364.98	2.44	-64.49
CC1C[NH+](CC(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030032766	1	43	0.0	-66.93	364.98	2.44	-64.49
NC(=O)C1CCN(CC(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030032771	0	50	0.0	-74.35	412.55	-0.17	-74.52
NC(=O)C1CC[NH+](CC(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030032771	1	50	0.0	-74.35	412.55	-0.17	-74.52
CN(CCO)CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030032796	0	43	0.0	-67.61	362.98	-1.28	-68.89
C[N@H+](CCO)CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030032796	1	43	0.0	-65.92	362.76	-1.28	-67.20
C[N@@H+](CCO)CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030032796	1	43	0.0	-65.92	362.76	-1.28	-67.20
C[NH+]1C2CCC1CC(=CC(=O)NCC(F)=C1CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030032819	0	51	0.0	-68.08	407.94	4.22	-63.86
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[N@@H+]2CCN1CCC2	REAL300030032824	0	49	0.0	-69.07	381.70	1.08	-67.99
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[N@H+]2CCN1CCC2	REAL300030032824	1	49	0.0	-69.07	381.70	1.08	-67.99
CC[N@@H+]1CCCC(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030032832	0	49	0.0	-62.00	390.87	3.76	-58.24
CC[N@H+]1CCCC(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030032832	1	49	0.0	-62.00	390.87	3.76	-58.24
CC(CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030032834	0	48	0.0	-76.42	392.12	3.17	-73.25
CC[N@H+](C)CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030032850	0	42	0.0	-65.83	352.63	1.96	-63.87
CC[N@@H+](C)CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030032850	1	42	0.0	-66.06	352.63	1.96	-64.10
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@@H+]1CCCC2	REAL300030032878	0	50	0.0	-66.11	389.03	3.75	-62.36
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@H+]1CCCC2	REAL300030032878	1	50	0.0	-65.72	389.33	3.78	-61.94
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@@H+]1CC=CC2	REAL300030032887	0	48	0.0	-61.79	382.71	3.60	-58.19
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@H+]1CC=CC2	REAL300030032887	1	48	0.0	-70.83	381.57	3.71	-67.12
CC[N@H+](CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030032912	0	46	0.0	-62.81	380.15	3.10	-59.71
CC[N@@H+](CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030032912	1	46	0.0	-63.44	381.27	3.27	-60.17
C[NH+](C)C1(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCSC1	REAL300030032915	0	50	0.0	-68.68	397.77	3.82	-64.86
CC[NH+](CC)CCC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030032937	0	48	0.0	-72.88	388.58	2.83	-70.05
C[NH+]1CCC(=CC(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030032954	0	47	0.0	-67.68	388.44	3.56	-64.12
O=C(CCCC[NH+]1CCCCC1)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030032975	0	55	0.0	-68.55	441.44	5.28	-63.27
CC1(O)CC[N@H+](CC(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030033008	1	47	0.0	-70.91	391.00	-0.38	-71.29
CC1(O)CC[N@@H+](CC(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030033008	1	47	0.0	-65.32	390.83	-0.29	-65.61
C[NH+](C)CC=CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030033020	0	43	0.0	-76.50	372.20	2.44	-74.06
CC(OCC[NH+](C)C)C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030033044	0	49	0.0	-72.20	409.83	2.99	-69.21
C[NH+](C)CCOCCC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030033055	0	49	0.0	-72.67	411.79	2.00	-70.67
COCC[N@H+](C)CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030033056	1	46	0.0	-65.64	385.01	1.12	-64.52
COCC[N@@H+](C)CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030033056	1	46	0.0	-67.76	385.24	1.12	-66.64
COCCCC[N@H+](C)CCC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030033084	0	55	0.0	-72.26	451.67	3.10	-69.16
COCCCC[N@@H+](C)CCC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030033084	1	55	0.0	-71.99	451.66	3.11	-68.88
C[NH+](C)C1(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030033109	0	49	0.0	-69.86	387.10	3.81	-66.05
CC(CCC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030033112	0	48	0.0	-76.27	388.62	2.93	-73.34
CC[N@@H+]1CCC1C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030033122	1	43	0.0	-65.26	366.58	2.26	-63.00
CC[N@H+]1CCC1C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030033122	1	43	0.0	-70.93	366.68	2.23	-68.70
CC(C)[N@@H+]1CCCC(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030033133	0	52	0.0	-64.45	413.81	4.07	-60.38
CC(C)[N@H+]1CCCC(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030033133	1	52	0.0	-64.86	413.81	4.08	-60.78
O=C(C[N@H+]1CCCC1CO)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030033147	1	47	0.0	-70.86	389.83	-0.26	-71.12
O=C(C[N@@H+]1CCCC1CO)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030033147	1	47	0.0	-65.13	388.10	-0.10	-65.23
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@@H+]2C1	REAL300030033173	0	50	0.0	-68.99	402.32	3.97	-65.02
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@H+]2C1	REAL300030033173	1	50	0.0	-68.11	402.41	4.04	-64.07
C[NH+]1CCC(C)(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030033180	0	49	0.0	-60.58	392.15	3.36	-57.22
C[NH+](C)CC1=CNC(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030033186	0	47	0.0	-72.79	401.27	2.60	-70.19
CC(C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300030033205	1	50	0.0	-66.66	405.79	0.18	-66.48
C=CCC(C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030033220	0	46	0.0	-68.30	378.03	2.64	-65.66
C[N@@H+]1CC(C)(C)CC1C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030033238	0	49	0.0	-69.96	394.86	2.91	-67.05
C[N@H+]1CC(C)(C)CC1C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030033238	1	49	0.0	-62.80	396.29	3.30	-59.50
C[NH+](C)CCCCCC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030033243	0	51	0.0	-73.76	421.84	4.11	-69.65
O=C(C[NH+]1CC2CC2C1)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030033253	0	44	0.0	-65.98	370.23	3.18	-62.80
CC1C[N@@H+]2CCN1C(C(=O)NCC(F)=C1CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030033288	0	49	0.0	-67.45	387.87	0.34	-67.11
CC1C[N@H+]2CCN1C(C(=O)NCC(F)=C1CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030033288	1	49	0.0	-79.37	388.09	0.20	-79.17
CCCC(C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030033289	0	48	0.0	-70.67	390.23	3.57	-67.10
C[NH+](C)C(C)(C)C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030033294	0	45	0.0	-74.23	362.45	2.35	-71.88
C[N@@H+]1CCCCC1C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030033344	0	46	0.0	-68.68	376.93	2.79	-65.89
C[N@H+]1CCCCC1C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030033344	1	46	0.0	-61.32	376.87	2.89	-58.43
C[N@H+]1CC=C(CC(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030033394	0	47	0.0	-70.72	394.12	3.53	-67.19
C[N@@H+]1CC=C(CC(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030033394	1	47	0.0	-68.84	394.11	3.53	-65.31
O=C(CC1([NH+]2CCCC2)CC1)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030033404	0	50	0.0	-63.50	400.01	4.02	-59.48
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030033460	0	55	0.0	-69.06	424.91	4.40	-64.66
C[N@H+]1CCCC(C(C)(C)C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030033460	1	55	0.0	-69.06	424.91	4.40	-64.66
CN(C)CC1=CC=C(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030033465	0	46	0.0	-72.07	399.48	3.09	-68.98
C[NH+](C)CC1=CC=C(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030033465	1	46	0.0	-72.07	399.48	3.09	-68.98
O=C(C=CC[NH+]1CCCC1)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030033487	0	47	0.0	-70.46	395.46	3.56	-66.90
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[NH+](C2CC2)CC1	REAL300030033514	0	50	0.0	-66.10	404.32	4.16	-61.94
O=C(CC[NH+]1CCCC1)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030033539	0	46	0.0	-67.61	381.62	2.90	-64.71
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+]2CCN1CC2	REAL300030033584	0	46	0.0	-74.58	371.28	-0.24	-74.82
CN1CC2CC1(C(=O)NCC(F)=C1CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030033595	0	44	0.0	-64.79	367.35	2.42	-62.37
C[N@@H+]1CC2CC1(C(=O)NCC(F)=C1CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030033595	1	44	0.0	-74.25	365.06	2.57	-71.68
C[N@H+]1CC2CC1(C(=O)NCC(F)=C1CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030033595	1	44	0.0	-74.25	365.06	2.57	-71.68
O=C(C[N@@H+]1CC2CCC1C2)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030033610	0	47	0.0	-64.52	381.48	3.38	-61.14
CC(C)[NH+]1CCC(CC(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030033622	0	55	0.0	-66.43	428.77	4.62	-61.81
O=C(C=C1C[NH+]2CCC1CC2)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030033672	0	48	0.0	-65.09	391.32	3.70	-61.39
CC(C[NH+](C)C)C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030033747	0	45	0.0	-73.12	373.39	2.48	-70.64
C[N@@H+]1CCCCC1CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030033843	0	49	0.0	-74.82	394.27	3.39	-71.43
C[N@H+]1CCCCC1CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030033843	1	49	0.0	-74.82	394.27	3.39	-71.43
CC1=C2C=C(C(=O)NCC(F)=C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030033865	1	44	0.0	-69.94	387.25	5.36	-64.58
CC(C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300030033866	1	46	0.0	-64.21	382.52	3.01	-61.20
CC1CC[N@@H+]1CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030033870	1	43	0.0	-69.65	360.77	2.02	-67.63
CC1CC[N@H+]1CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030033870	1	43	0.0	-65.55	366.24	2.37	-63.18
C[NH+](C)CC(O)CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030033875	0	46	0.0	-77.17	387.59	0.25	-76.92
CC1C[N@H+](C)CC(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030033911	1	47	0.0	-76.56	386.75	2.44	-74.12
CC1C[N@@H+](C)CC(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030033911	1	47	0.0	-72.91	393.51	2.48	-70.43
O=C(CC[NH+]1CCC(O)CC1)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030033923	0	50	0.0	-70.84	409.99	0.37	-70.47
CCC[N@@H+]1CCCCC1C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030033926	0	52	0.0	-68.80	406.82	4.02	-64.78
CCC[N@H+]1CCCCC1C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030033926	1	52	0.0	-64.34	406.75	4.12	-60.22
CC[NH+]1CCN(CCC(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030033931	0	54	0.0	-70.12	432.34	1.79	-68.33
CCN1CC[NH+](CCC(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030033931	1	54	0.0	-68.32	433.50	1.94	-66.38
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300030033934	0	53	0.0	-72.75	405.29	3.96	-68.79
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300030033934	1	53	0.0	-64.30	409.69	4.66	-59.64
CC(C)C[NH+]1CCC(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030033979	0	55	0.0	-68.54	435.98	5.03	-63.51
C[NH+](C)C1CCN(CC(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030034004	0	54	0.0	-69.83	428.69	2.02	-67.81
C[NH+](C)[C@H]1C[C@H](C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030034025	0	46	0.0	-64.69	384.45	3.03	-61.66
CC(CC[NH+](C)C)C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030034033	0	48	0.0	-73.16	395.01	3.08	-70.08
C[N@H+](CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300030034066	0	50	0.0	-64.29	405.93	0.50	-63.79
C[N@@H+](CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300030034066	1	50	0.0	-64.02	405.55	0.67	-63.35
C[NH+]1CCN(CC(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030034081	1	48	0.0	-69.10	393.92	0.78	-68.32
CC[NH+]1CCN(CC(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030034090	0	51	0.0	-68.03	411.54	1.44	-66.59
NC(=[NH2+])SCC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030034121	0	37	0.0	-74.03	342.90	-1.85	-75.88
CC[N@@H+]1CCOCC1CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030034167	0	50	0.0	-70.17	403.09	1.76	-68.41
C[NH+](C)CCC1(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030034186	0	55	0.0	-66.06	430.97	4.99	-61.07
CC1CCCC(C)[NH+]1CCC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030034188	0	55	0.0	-64.34	425.49	4.40	-59.94
C[NH+](C)C1CCC(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030034191	0	52	0.0	-68.16	407.20	3.98	-64.18
C[NH+](C)CCC1(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030034192	0	49	0.0	-59.57	409.61	3.82	-55.75
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030034196	0	52	0.0	-68.17	407.20	3.97	-64.20
C[N@@H+]1CC=CCC1CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030034197	0	47	0.0	-65.13	381.20	3.20	-61.93
C[N@H+]1CC=CCC1CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030034197	1	47	0.0	-65.13	381.20	3.20	-61.93
C[C@@H](OCC[NH+](C)C)C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030034226	0	49	0.0	-63.75	410.56	3.04	-60.71
C[NH+]1C2CCC1CC(C(=O)NCC(F)=C1CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030034260	0	50	0.0	-66.96	377.53	3.79	-63.17
CCC1C[NH+](CC(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030034403	1	46	0.0	-67.14	387.56	3.14	-64.00
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+](C2CCOCC2)C1	REAL300030034405	0	51	0.0	-71.78	418.61	2.25	-69.53
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1([NH+]2CCCC2)CCC1	REAL300030034407	0	50	0.0	-63.74	397.08	3.78	-59.96
C[N@H+]1CCC[C@H]1C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030034418	1	43	0.0	-67.05	354.91	1.83	-65.22
O=C(CC[N@@H+]1CCC(F)C1)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030034427	1	46	0.0	-70.32	389.10	3.10	-67.22
COC1C[N@@H+](C)C(C)(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030034436	1	50	0.0	-73.22	404.86	1.96	-71.26
O=C(CC[NH+]1CCCCCC1)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030034449	0	52	0.0	-69.45	409.08	3.95	-65.50
O=C(C[NH+]1CCCCC1)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030034451	0	46	0.0	-65.79	377.01	3.18	-62.61
CC1C(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030034461	0	46	0.0	-69.49	372.43	2.49	-67.00
CC1C(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030034461	1	46	0.0	-68.03	381.41	2.72	-65.31
C[N@@H+]1CCCCC1CCC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030034463	0	52	0.0	-67.17	415.98	4.20	-62.97
C[N@H+]1CCCCC1CCC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030034463	1	52	0.0	-70.62	416.29	4.12	-66.50
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+]2CCOCC12	REAL300030034497	0	48	0.0	-68.09	393.83	1.55	-66.54
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+]2CCOCC12	REAL300030034497	1	48	0.0	-65.95	390.13	1.61	-64.34
CC1=[NH+]C=C2C=CC(C(=O)NCC(F)=C3CN(C(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300030034505	0	44	0.0	-64.79	386.49	4.55	-60.24
CN1CCOCC1CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030034524	0	47	0.0	-67.61	378.15	0.89	-66.72
C[N@@H+]1CCOCC1CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030034524	1	47	0.0	-65.79	378.03	0.96	-64.83
C[N@H+]1CCOCC1CC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030034524	1	47	0.0	-67.61	378.15	0.89	-66.72
CC1=C(C)[NH+]=C(CCC(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030034534	1	47	0.0	-62.32	405.14	2.57	-59.75
CC(C)C[N@@H+]1CCCC(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030034549	0	55	0.0	-60.60	429.82	5.18	-55.42
CC(C)C[N@H+]1CCCC(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030034549	1	55	0.0	-65.89	436.05	5.00	-60.89
C[N@@H+]1CCCC1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030034716	0	43	0.0	-67.44	361.23	2.28	-65.16
C[N@H+]1CCCC1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030034716	1	43	0.0	-65.32	362.21	2.41	-62.91
CN1CCOC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030034742	0	44	0.0	-74.56	364.98	1.47	-73.09
C[N@@H+]1CCOC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030034742	1	44	0.0	-72.50	362.79	1.46	-71.04
C[N@H+]1CCOC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030034742	1	44	0.0	-74.56	364.98	1.47	-73.09
CC1=[NH+]C=CN1CCCC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030034911	1	47	0.0	-66.59	407.81	4.32	-62.27
O=C(CCCC[NH+]1CCOCC1)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030034915	1	53	0.0	-73.59	435.10	3.01	-70.58
C[NH+](C)CC1=CC=C(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300030034921	0	49	0.0	-75.06	410.36	4.44	-70.62
O=C(CC[NH+]1CCOCC1)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030034922	1	47	0.0	-73.01	392.10	1.42	-71.59
CCC[NH+](CCC)CCCC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030034945	0	57	0.0	-69.95	459.39	5.62	-64.33
O=C(NCC(F)=C1CN(C(=O)C23CCC[NH+]2CCC3)C1)C1=CC(=O)[N-]O1	REAL300030034961	0	47	0.0	-63.09	377.06	3.00	-60.09
O=C(NCC(F)=C1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1)C1=CC(=O)[N-]O1	REAL300030034979	1	41	0.0	-73.80	362.43	4.48	-69.32
C[NH+](C)C1CCCC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030035051	0	52	0.0	-65.56	406.61	3.86	-61.70
C[N@@H+]1CCC(CC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030035055	0	46	0.0	-73.43	382.83	2.90	-70.53
C[N@H+]1CCC(CC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030035055	1	46	0.0	-73.86	383.20	2.91	-70.95
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030035068	0	45	0.0	-74.70	382.97	1.72	-72.98
CCC(C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030035074	0	45	0.0	-64.37	367.11	2.34	-62.03
O=C(NCC(F)=C1CN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)C1)C1=CC(=O)[N-]O1	REAL300030035083	1	44	0.0	-77.01	394.50	2.89	-74.12
CC1CC2CCC(C(=O)N3CC(=C(F)CNC(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300030035130	0	53	0.0	-63.91	416.60	4.58	-59.33
CC1CC2CCC(C(=O)N3CC(=C(F)CNC(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300030035130	1	53	0.0	-64.49	416.39	4.59	-59.90
C[NH+](C)CCCCC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030035160	0	48	0.0	-71.57	402.20	3.55	-68.02
CC(C)C(C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030035183	0	48	0.0	-64.70	382.43	3.10	-61.60
CCC[N@H+](C)CCC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030035185	0	48	0.0	-70.94	398.43	3.36	-67.58
CCC[N@@H+](C)CCC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030035185	1	48	0.0	-70.72	398.43	3.36	-67.36
CCC[N@H+](C)CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030035191	0	45	0.0	-68.36	376.06	2.83	-65.53
CCC[N@@H+](C)CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030035191	1	45	0.0	-68.55	376.06	2.83	-65.72
O=C(NCC(F)=C1CN(C(=O)C23CC[N@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300030035220	0	47	0.0	-69.05	373.43	2.33	-66.72
O=C(NCC(F)=C1CN(C(=O)C23CC[N@@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300030035220	1	47	0.0	-76.10	373.68	2.35	-73.75
CCCCCC[N@H+](C)CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030035264	0	54	0.0	-69.55	440.56	5.17	-64.38
CCCCCC[N@@H+](C)CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030035264	1	54	0.0	-69.73	440.56	5.17	-64.56
CC[NH+](CC)C(C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300030035272	0	54	0.0	-61.77	413.51	4.20	-57.57
CC1CC[NH+](CC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030035311	0	49	0.0	-68.63	399.79	3.89	-64.74
O=C(NCC(F)=C1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1)C1=CC(=O)[N-]O1	REAL300030035339	1	44	0.0	-78.33	391.45	2.41	-75.92
C[NH+]1CCC(OCC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030035348	0	50	0.0	-74.84	416.75	3.55	-71.29
O=C(NCC(F)=C1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030035414	0	50	0.0	-65.68	401.57	4.04	-61.64
O=C(NCC(F)=C1CN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030035414	1	50	0.0	-69.43	402.75	3.92	-65.51
C[NH+](C)CC1(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030035427	0	46	0.0	-63.11	385.16	3.01	-60.10
CC1=[NH+]C=C2CCC(C(=O)N3CC(=C(F)CNC(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300030035428	1	48	0.0	-64.04	401.96	3.90	-60.14
CC(C)[NH+]1CCC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030035440	0	52	0.0	-72.80	412.47	3.90	-68.90
CC[N@H+](C)CCC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030035473	0	45	0.0	-70.21	376.93	2.62	-67.59
CC[N@@H+](C)CCC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030035473	1	45	0.0	-69.97	376.93	2.62	-67.35
CC(C)(C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300030035504	0	52	0.0	-70.23	401.43	4.35	-65.88
O=C(NCC(F)=C1CN(C(=O)C2C[NH+]3CCC2CC3)C1)C1=CC(=O)[N-]O1	REAL300030035522	0	47	0.0	-69.21	375.15	3.03	-66.18
C[NH+]1CCC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030035613	0	46	0.0	-75.84	381.80	2.94	-72.90
CC(C)[C@H](C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030035634	0	48	0.0	-65.08	380.08	3.21	-61.87
O=C(NCC(F)=C1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C1)C1=CC(=O)[N-]O1	REAL300030035719	0	53	0.0	-75.68	430.99	5.15	-70.53
CC[NH+](CC)CC(F)C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030035764	0	48	0.0	-71.16	395.47	3.10	-68.06
C[NH+](C)CC1=C(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)SC=C1	REAL300030035765	0	46	0.0	-62.19	398.25	3.73	-58.46
CC(C)C[N@@H+]1CCC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030035807	0	52	0.0	-71.57	419.90	4.19	-67.38
CC(C)C[N@H+]1CCC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030035807	1	52	0.0	-68.90	418.26	4.19	-64.71
C[NH+](C)C1(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300030035811	0	46	0.0	-71.53	368.07	2.51	-69.02
CCC(C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030035846	0	51	0.0	-61.60	402.81	3.68	-57.92
CC1CCC[N@@H+]1CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030035874	0	46	0.0	-65.22	375.49	2.77	-62.45
CC1CCC[N@H+]1CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030035874	1	46	0.0	-65.61	381.76	3.08	-62.53
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030035958	1	50	0.0	-63.46	422.29	4.57	-58.89
CC(C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300030035965	0	52	0.0	-64.47	406.27	3.78	-60.69
CC(C)[N@@H+]1CCCCC1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030035967	0	52	0.0	-64.95	400.03	3.65	-61.30
CC(C)[N@H+]1CCCCC1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030035967	1	52	0.0	-61.10	409.37	3.87	-57.23
CC(C)[N@@H+]1CCCC1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030035997	0	49	0.0	-67.79	388.01	3.72	-64.07
CC(C)[N@H+]1CCCC1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030035997	1	49	0.0	-67.24	387.91	3.67	-63.57
C[NH+](C)C(CN1C=CC=N1)C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030036003	1	49	0.0	-64.53	409.14	2.63	-61.90
CC(C)[N@@H+]1CCCC1CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030036008	0	52	0.0	-64.02	407.28	3.43	-60.59
CC(C)[N@H+]1CCCC1CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030036008	1	52	0.0	-63.08	405.87	3.84	-59.24
O=C(NCC(F)=C1CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300030036009	0	53	0.0	-66.68	417.52	4.74	-61.94
O=C(NCC(F)=C1CN(C(=O)C2CCC[N@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300030036009	1	53	0.0	-66.34	422.43	4.82	-61.52
CC(C)[C@@H](C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030036030	0	48	0.0	-68.21	380.36	3.19	-65.02
CC1CC[N@H+](CC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030036059	0	46	0.0	-67.79	382.96	3.12	-64.67
CC1CC[N@@H+](CC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030036059	1	46	0.0	-69.78	383.02	3.05	-66.73
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030036060	0	52	0.0	-66.58	416.89	3.61	-62.97
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030036060	1	52	0.0	-66.58	416.66	3.64	-62.94
CC1=[NH+]C=C2CC(C(=O)N3CC(=C(F)CNC(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300030036062	1	48	0.0	-64.45	401.26	3.95	-60.50
CC1(C)CC[N@H+](CC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030036065	0	49	0.0	-67.54	401.86	3.64	-63.90
CC1(C)CC[N@@H+](CC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030036065	1	49	0.0	-67.36	401.72	3.64	-63.72
C[N@H+](CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030036066	0	51	0.0	-67.99	404.67	3.80	-64.19
C[N@@H+](CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030036066	1	51	0.0	-68.29	406.61	3.95	-64.34
CC[C@@H](C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030036077	0	45	0.0	-68.27	369.25	2.52	-65.75
CC(COCC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300030036085	0	53	0.0	-68.65	435.47	4.20	-64.45
CN(CCC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300030036238	0	48	0.0	-63.23	411.56	3.08	-60.15
CC1=[NH+]C=CN1CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030036353	1	41	0.0	-65.11	366.23	3.02	-62.09
CC(C[NH+]1CCOCC1)C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030036355	0	50	0.0	-70.74	405.63	1.91	-68.83
O=C(CCC[NH+]1CCCCC1)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030036377	0	52	0.0	-69.77	422.33	4.65	-65.12
C[NH+](C)CC1=CC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300030036398	1	45	0.0	-74.98	394.00	2.47	-72.51
CC1=C(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300030036400	0	44	0.0	-72.94	389.33	5.11	-67.83
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030036445	1	47	0.0	-64.05	402.59	4.13	-59.92
O=C(NCC(F)=C1CN(C(=O)C2CCCC3CCC[N@@H+]32)C1)C1=CC(=O)[N-]O1	REAL300030036495	0	50	0.0	-61.51	398.75	4.01	-57.50
O=C(NCC(F)=C1CN(C(=O)C2CCCC3CCC[N@H+]32)C1)C1=CC(=O)[N-]O1	REAL300030036495	1	50	0.0	-65.91	388.90	3.55	-62.36
CC[N@@H+]1CCOC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030036528	1	47	0.0	-75.26	382.58	2.20	-73.06
CC[N@H+]1CCOC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030036528	1	47	0.0	-78.61	387.59	2.29	-76.32
O=C(NCC(F)=C1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300030036597	0	41	0.0	-69.86	362.14	4.45	-65.41
CC1=C[NH+]=CN1CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030036602	1	41	0.0	-69.49	366.59	3.75	-65.74
C[NH+](C)CCN1C=C(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300030036606	0	49	0.0	-76.45	416.41	2.54	-73.91
C[NH+](C)CCN1C=CC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030036620	0	49	0.0	-76.18	419.50	2.96	-73.22
C[C@@H]1[C@H](C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030036626	0	46	0.0	-74.01	373.23	2.36	-71.65
C[C@@H]1[C@H](C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030036626	1	46	0.0	-72.73	379.40	2.62	-70.11
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030036629	1	50	0.0	-63.26	422.79	4.63	-58.63
CC[C@@H]1[C@@H](C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030036632	0	49	0.0	-71.42	393.48	3.05	-68.37
CC[C@@H]1[C@@H](C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030036632	1	49	0.0	-69.87	393.88	3.41	-66.46
CC1CCC(C)[NH+]1CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030036652	0	49	0.0	-64.78	394.00	3.42	-61.36
O=C(CCC[NH+]1CCCC1)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030036659	0	49	0.0	-69.56	406.66	3.95	-65.61
C[NH+](C)CC1=CC=CC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030036660	0	49	0.0	-70.89	410.37	4.44	-66.45
C#CC[NH+]1CCC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030036668	0	48	0.0	-76.53	406.97	4.14	-72.39
O=C(CC[NH+]1CCCCC1)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030036669	0	49	0.0	-69.58	400.83	3.85	-65.73
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030036674	0	49	0.0	-61.36	402.94	4.79	-56.57
CC[N@@H+]1CCCCC1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030036683	0	49	0.0	-66.90	383.38	3.15	-63.75
CC[N@H+]1CCCCC1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030036683	1	49	0.0	-62.30	395.97	3.60	-58.70
CC(C)C(C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300030036684	0	55	0.0	-65.03	421.41	4.96	-60.07
C[NH+](C)C(C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300030036687	1	49	0.0	-69.08	407.14	4.72	-64.36
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030036693	1	48	0.0	-68.76	408.41	5.48	-63.28
C[NH+](C)CC1(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)CCCCC1	REAL300030036736	0	55	0.0	-63.11	417.92	4.30	-58.81
C[N@H+](CCC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300030036742	0	55	0.0	-71.03	435.24	5.00	-66.03
C[N@@H+](CCC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300030036742	1	55	0.0	-70.30	435.25	5.01	-65.29
C[NH+](C)C1(CC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030036744	0	52	0.0	-70.85	400.69	3.85	-67.00
C[N@H+](CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030036967	0	46	0.0	-65.91	383.05	3.40	-62.51
C[N@@H+](CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030036967	1	46	0.0	-66.93	382.95	3.39	-63.54
CC(C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300030036998	0	52	0.0	-63.63	395.98	3.17	-60.46
O=C(CCCC[NH+]1CCCC1)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030037015	0	52	0.0	-70.17	428.16	4.73	-65.44
C[N@H+](CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300030037017	1	49	0.0	-72.18	413.49	5.01	-67.17
C[N@@H+](CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300030037017	1	49	0.0	-72.56	413.54	5.01	-67.55
C[NH+]1CCC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030037032	0	46	0.0	-75.84	381.80	2.94	-72.90
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030037097	0	43	0.0	-69.72	356.00	1.79	-67.93
C[N@H+]1CCC[C@@H]1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030037097	1	43	0.0	-65.31	362.19	2.42	-62.89
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030037121	1	45	0.0	-66.89	382.61	3.12	-63.77
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030037121	1	45	0.0	-68.19	388.41	3.55	-64.64
C[N@@H+]1CCCC1CCC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030037130	0	49	0.0	-72.66	404.22	3.90	-68.76
C[N@H+]1CCCC1CCC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030037130	1	49	0.0	-69.44	398.77	3.44	-66.00
O=C(NCC(F)=C1CN(C(=O)C23CCC[NH+](CCC2)C3)C1)C1=CC(=O)[N-]O1	REAL300030037142	0	50	0.0	-69.55	386.96	3.17	-66.38
O=C(NCC(F)=C1CN(C(=O)C2CCC3CCCC[N@@H+]32)C1)C1=CC(=O)[N-]O1	REAL300030037150	0	50	0.0	-65.09	403.04	4.17	-60.92
O=C(NCC(F)=C1CN(C(=O)C2CCC3CCCC[N@H+]32)C1)C1=CC(=O)[N-]O1	REAL300030037150	1	50	0.0	-66.73	397.30	3.75	-62.98
CCC[N@@H+]1CCCC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030037242	0	52	0.0	-70.46	415.95	4.11	-66.35
CCC[N@H+]1CCCC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030037242	1	52	0.0	-65.70	411.61	4.31	-61.39
CC(C)[N@@H+]1CCOC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030037264	0	50	0.0	-69.64	397.36	2.60	-67.04
CC(C)[N@H+]1CCOC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030037264	1	50	0.0	-71.43	399.53	2.65	-68.78
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030037283	0	53	0.0	-68.73	413.59	2.14	-66.59
C[N@@H+]1CCCCC1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030037303	0	46	0.0	-66.55	378.42	2.98	-63.57
C[N@H+]1CCCCC1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030037303	1	46	0.0	-63.38	378.15	2.96	-60.42
CC(C)C[N@@H+]1CCCC1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030037334	0	52	0.0	-66.91	420.06	4.38	-62.53
CC(C)C[N@H+]1CCCC1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030037334	1	52	0.0	-67.25	419.26	4.42	-62.83
O=C(C[NH+]1CCC(CO)CC1)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030037355	0	50	0.0	-69.94	410.63	0.58	-69.36
C[NH+]1C2CCC1CC(=CC(=O)N1CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030037392	0	51	0.0	-69.53	409.70	4.33	-65.20
CC1C(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030037411	0	46	0.0	-71.75	378.21	2.86	-68.89
CC1C(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030037411	1	46	0.0	-73.13	379.81	2.59	-70.54
C[N@@H+]1CCCCC1CCC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030037414	0	52	0.0	-73.92	410.75	4.04	-69.88
C[N@H+]1CCCCC1CCC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030037414	1	52	0.0	-73.11	410.80	4.14	-68.97
NC1=[NH+]C2=C(C=C1C(=O)N1CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C1)CCC2	REAL300030037452	1	46	0.0	-60.25	390.12	2.15	-58.10
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030037534	0	49	0.0	-64.63	398.30	3.11	-61.52
CC(C)(C)[N@H+]1CCC1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030037534	1	49	0.0	-67.14	398.12	3.00	-64.14
C[C@@H](C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030037558	0	42	0.0	-67.72	355.00	1.79	-65.93
C[NH+](C)CC1=CC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)=CC=N1	REAL300030037578	1	48	0.0	-68.74	406.33	3.00	-65.74
C=CCC(C)(C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030037584	0	49	0.0	-66.84	383.55	3.55	-63.29
NC1=C(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]C2=CC=CC=C21	REAL300030037615	1	45	0.0	-64.88	387.59	1.59	-63.29
O=C(CC[NH+]1CCCC1)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030037619	0	46	0.0	-69.67	385.16	3.14	-66.53
C[N@H+](CCO)CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030037629	1	43	0.0	-69.79	364.92	-1.16	-70.95
C[N@@H+](CCO)CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030037629	1	43	0.0	-68.28	364.71	-1.16	-69.44
O=C(NCC(F)=C1CN(C(=O)C2C[N@@H+]3CCN2CCC3)C1)C1=CC(=O)[N-]O1	REAL300030037674	0	49	0.0	-69.84	384.94	0.69	-69.15
O=C(NCC(F)=C1CN(C(=O)C2C[N@H+]3CCN2CCC3)C1)C1=CC(=O)[N-]O1	REAL300030037674	1	49	0.0	-79.79	382.01	0.92	-78.87
CC(C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300030037705	1	47	0.0	-68.30	395.36	3.37	-64.93
C[N@H+]1CC=C(CC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030037753	0	47	0.0	-69.24	395.98	3.74	-65.50
C[N@@H+]1CC=C(CC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030037753	1	47	0.0	-67.78	395.98	3.73	-64.05
C[S+](C)CCC(O)C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030037770	0	45	0.0	-77.66	399.41	0.92	-76.74
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030037794	0	47	0.0	-69.76	374.49	-1.13	-70.89
C[N@H+]1CC(O)CC1(C)C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030037794	1	47	0.0	-75.15	376.67	-0.91	-76.06
CN1CC[N@H+](C)CC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030037810	0	51	0.0	-68.30	406.73	1.23	-67.07
CN1CC[N@@H+](C)CC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030037810	1	51	0.0	-66.53	402.17	1.26	-65.27
CC(C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300030037811	0	50	0.0	-67.70	405.34	0.40	-67.30
CC(C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300030037811	1	50	0.0	-64.42	407.15	0.27	-64.15
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030037845	0	46	0.0	-63.32	397.39	2.21	-61.11
C[N@@H+]1CCCC(O)(CC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030037852	0	50	0.0	-63.41	397.45	1.59	-61.82
C[N@H+]1CCCC(O)(CC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030037852	1	50	0.0	-67.30	407.10	1.70	-65.60
CC1C[NH+](CC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030037859	1	43	0.0	-68.64	368.13	2.51	-66.13
CC[N@@H+]1CCCC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030037867	0	49	0.0	-72.47	390.50	3.47	-69.00
CC[N@H+]1CCCC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030037867	1	49	0.0	-65.41	390.10	3.55	-61.86
NC1=[NH+]C=CC=C1CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030037877	0	42	0.0	-64.66	371.08	1.22	-63.44
O=C(NCC(F)=C1CN(C(=O)C2CCC[N@@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300030037892	0	47	0.0	-67.59	386.46	3.11	-64.48
O=C(NCC(F)=C1CN(C(=O)C2CCC[N@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300030037892	1	47	0.0	-65.56	393.44	3.77	-61.79
O=C(C=CC[NH+]1CCCC1)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030037945	0	47	0.0	-72.57	398.93	3.81	-68.76
O=C(NCC(F)=C1CN(C(=O)C2CC[NH+](C3CC3)CC2)C1)C1=CC(=O)[N-]O1	REAL300030037974	0	50	0.0	-67.89	411.43	4.37	-63.52
CC[N@H+](C)CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030038027	0	42	0.0	-68.22	354.56	2.09	-66.13
O=C(CN1CC2C=CC1C2)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030038094	0	45	0.0	-68.39	376.47	3.29	-65.10
O=C(C[N@@H+]1CC2C=CC1C2)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030038094	1	45	0.0	-65.93	375.80	3.27	-62.66
O=C(C[N@H+]1CC2C=CC1C2)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030038094	1	45	0.0	-65.93	375.80	3.27	-62.66
CC1=CC=C(NCCC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)N=C1	REAL300030038119	0	48	0.0	-65.23	415.70	2.82	-62.41
CC1=CC=C(NCCC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)[NH+]=C1	REAL300030038119	1	48	0.0	-65.23	415.70	2.82	-62.41
O=C(NCC(F)=C1CN(C(=O)C23CCC[N@@H+]2CCCC3)C1)C1=CC(=O)[N-]O1	REAL300030038252	0	50	0.0	-63.23	388.34	3.46	-59.77
O=C(NCC(F)=C1CN(C(=O)C23CCC[N@H+]2CCCC3)C1)C1=CC(=O)[N-]O1	REAL300030038252	1	50	0.0	-63.23	388.34	3.46	-59.77
O=C(NCC(F)=C1CN(C(=O)C23CCC[N@@H+]2CC=CC3)C1)C1=CC(=O)[N-]O1	REAL300030038263	0	48	0.0	-64.63	380.85	3.17	-61.46
O=C(NCC(F)=C1CN(C(=O)C23CCC[N@H+]2CC=CC3)C1)C1=CC(=O)[N-]O1	REAL300030038263	1	48	0.0	-64.63	380.85	3.17	-61.46
CC(OCC[NH+](C)C)C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030038275	0	49	0.0	-65.87	410.13	3.03	-62.84
C[NH+](C)CCOCCC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030038287	0	49	0.0	-70.33	413.66	2.20	-68.13
COCCN(C)CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030038289	0	46	0.0	-67.90	386.96	1.25	-66.65
COCC[N@H+](C)CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030038289	1	46	0.0	-69.93	387.17	1.25	-68.68
COCC[N@@H+](C)CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030038289	1	46	0.0	-69.93	387.17	1.25	-68.68
CC(CCC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030038296	0	48	0.0	-69.56	394.12	3.15	-66.41
CC[N@H+](CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030038332	0	46	0.0	-65.35	382.89	3.42	-61.93
CC1C[N@@H+]2CCN1C(C(=O)N1CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030038352	0	49	0.0	-70.18	386.47	0.24	-69.94
C[N@@H+]1CC2CC1(C(=O)N1CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030038387	0	44	0.0	-71.57	363.93	2.51	-69.06
CC1=NC(N)=CC=C1C=CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030038397	0	46	0.0	-68.29	401.59	2.05	-66.24
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030038397	1	46	0.0	-68.29	401.59	2.05	-66.24
O=C(C[N@@H+]1CC2CCC1C2)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030038406	0	47	0.0	-66.51	383.40	3.50	-63.01
O=C(C[N@H+]1CC2CCC1C2)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030038406	1	47	0.0	-66.51	383.40	3.50	-63.01
CC(C)[NH+]1CCC(CC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030038422	0	55	0.0	-68.06	430.70	4.73	-63.33
CC(C[NH+](C)C)C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030038436	0	45	0.0	-70.53	374.42	2.49	-68.04
CC[N@@H+]1CCC1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030038497	0	43	0.0	-66.79	360.88	2.01	-64.78
CC(C)[N@@H+]1CCCC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030038511	0	52	0.0	-68.69	413.41	3.89	-64.80
CC(C)[N@H+]1CCCC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030038511	1	52	0.0	-68.69	413.41	3.89	-64.80
CCC(C)(C)[NH2+]C(C)C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030038533	0	51	0.0	-67.51	400.59	1.83	-65.68
C#CCN1CCCCC1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030038587	0	48	0.0	-67.31	392.45	3.69	-63.62
C#CC[N@H+]1CCCCC1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030038587	1	48	0.0	-64.75	392.22	3.78	-60.97
C#CC[N@@H+]1CCCCC1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030038587	1	48	0.0	-64.75	392.22	3.78	-60.97
CNC1=NC(C)=CC=C1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030038591	0	45	0.0	-62.14	385.98	2.04	-60.10
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030038591	1	45	0.0	-62.14	385.98	2.04	-60.10
CCCC(C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030038604	0	48	0.0	-66.06	390.93	3.31	-62.75
C[NH+](C)C(C)(C)C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030038612	0	45	0.0	-71.94	359.61	2.38	-69.56
CC(CC[NH+](C)C)C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030038638	0	48	0.0	-72.32	398.07	3.18	-69.14
O=C(NCC(F)=C1CN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1)C1=CC(=O)[N-]O1	REAL300030038698	0	53	0.0	-64.45	409.25	4.56	-59.89
O=C(NCC(F)=C1CN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1)C1=CC(=O)[N-]O1	REAL300030038698	1	53	0.0	-64.45	409.25	4.56	-59.89
O=C(NCC(F)=C1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1)C1=CC(=O)[N-]O1	REAL300030038735	0	48	0.0	-64.08	388.61	4.67	-59.41
O=C(NCC(F)=C1CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1)C1=CC(=O)[N-]O1	REAL300030038735	1	48	0.0	-64.08	388.61	4.67	-59.41
COCCCC[N@H+](C)CCC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030038780	0	55	0.0	-74.37	453.60	3.22	-71.15
COCCCC[N@@H+](C)CCC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030038780	1	55	0.0	-74.37	453.60	3.22	-71.15
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030038792	0	49	0.0	-69.05	396.48	2.96	-66.09
C[N@H+]1CC(C)(C)CC1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030038792	1	49	0.0	-69.05	396.48	2.96	-66.09
C[NH+](C)CCCCCC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030038798	0	51	0.0	-71.28	423.70	4.33	-66.95
O=C(CC[NH+]1CCC(O)CC1)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030038803	0	50	0.0	-73.11	411.92	0.50	-72.61
CCC[N@@H+]1CCCCC1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030038809	0	52	0.0	-65.50	404.90	4.00	-61.50
CCC[N@H+]1CCCCC1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030038809	1	52	0.0	-65.50	404.90	4.00	-61.50
CC[NH+]1CCN(CCC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030038819	0	54	0.0	-71.11	435.44	2.07	-69.04
CCN1CC[NH+](CCC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030038819	1	54	0.0	-71.11	435.44	2.07	-69.04
CN1CCN(CC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030038823	0	48	0.0	-70.81	395.85	0.90	-69.91
C[NH+]1CCN(CC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030038823	1	48	0.0	-70.81	395.85	0.90	-69.91
CC(C)C[NH+]1CCC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030038957	0	55	0.0	-74.90	438.01	5.04	-69.86
CC1C[N@H+](C)CC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030038960	1	47	0.0	-82.16	393.03	2.48	-79.68
CC1C[N@@H+](C)CC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030038960	1	47	0.0	-74.38	384.14	2.42	-71.96
CCC1CCC[N@H+](CC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030038996	0	52	0.0	-68.28	410.34	4.08	-64.20
CCC1CCC[N@@H+](CC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030038996	1	52	0.0	-68.39	410.80	4.48	-63.91
C[NH+](C)CC1=CC=C(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030039007	0	47	0.0	-78.91	399.46	2.55	-76.36
O=C(C[NH+]1CC2CC2C1)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030039030	0	44	0.0	-70.45	372.25	3.19	-67.26
O=C(CC1([NH+]2CCCC2)CC1)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030039049	0	50	0.0	-65.50	401.95	4.14	-61.36
CC([NH2+]C1(CO)CCCC1)C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030039067	0	53	0.0	-68.54	420.18	-0.57	-69.11
C[N@@H+]1CCCCC1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030039100	0	46	0.0	-66.55	378.42	2.98	-63.57
C[N@H+]1CCCCC1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030039100	1	46	0.0	-63.38	378.15	2.96	-60.42
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030039113	0	55	0.0	-65.37	429.43	4.99	-60.38
CC(C)C[N@H+]1CCCC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030039113	1	55	0.0	-69.87	435.72	4.80	-65.07
C[NH+](C)C1CCN(CC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030039179	0	54	0.0	-70.90	430.17	2.10	-68.80
C[N@@H+]1CCC(=CC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030039253	0	44	0.0	-72.90	374.52	2.97	-69.93
C[N@H+]1CCC(=CC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030039253	1	44	0.0	-72.28	375.48	2.95	-69.33
O=C(CNC1=CC=[NH+]C=C1)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030039259	0	42	0.0	-68.81	372.55	0.68	-68.13
CC[NH+]1CCN(CC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030039329	0	51	0.0	-69.50	413.09	1.54	-67.96
O=C(C=C1C[NH+]2CCC1CC2)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030039332	0	48	0.0	-66.43	393.11	3.82	-62.61
C[NH+](C)C1(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030039384	0	49	0.0	-65.39	378.89	3.10	-62.29
C[N@H+](CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300030039401	0	50	0.0	-64.27	407.32	0.81	-63.46
C[N@@H+](CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300030039401	1	50	0.0	-67.15	407.82	0.61	-66.54
CCC1C[NH+](CC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030039409	0	46	0.0	-69.37	389.29	3.22	-66.15
O=C(NCC(F)=C1CN(C(=O)C2C[NH+](C3CCOCC3)C2)C1)C1=CC(=O)[N-]O1	REAL300030039413	0	51	0.0	-72.51	420.11	2.37	-70.14
O=C(NCC(F)=C1CN(C(=O)C2([NH+]3CCCC3)CCC2)C1)C1=CC(=O)[N-]O1	REAL300030039415	0	50	0.0	-63.86	390.96	3.59	-60.27
C[N@@H+]1CCC[C@H]1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030039431	0	43	0.0	-67.61	360.19	2.24	-65.37
C[N@H+]1CCC[C@H]1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030039431	1	43	0.0	-69.08	355.91	1.80	-67.28
CC[N@@H+]1CCOCC1CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030039471	0	50	0.0	-72.68	400.20	1.66	-71.02
O=C(NCC(F)=C1CN(C(=O)C2C[NH+](C3CCCCC3)C2)C1)C1=CC(=O)[N-]O1	REAL300030039499	0	53	0.0	-70.48	428.87	4.76	-65.72
COC1C[N@@H+]2CCCC2(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030039516	0	51	0.0	-68.53	410.39	1.88	-66.65
COC1C[N@H+]2CCCC2(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030039516	1	51	0.0	-68.53	410.39	1.88	-66.65
NC1=NC2=CC(C(=O)N3CC(=C(F)CNC(=O)C4=CC(=O)[N-]O4)C3)=CC=C2N1	REAL300030039588	0	43	0.0	-69.68	376.39	2.20	-67.48
NC1=[NH+]C2=CC(C(=O)N3CC(=C(F)CNC(=O)C4=CC(=O)[N-]O4)C3)=CC=C2N1	REAL300030039588	1	43	0.0	-69.68	376.39	2.20	-67.48
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030039637	0	46	0.0	-71.68	386.33	3.04	-68.64
C[NH+](C)CCC1(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030039650	0	55	0.0	-72.96	432.92	4.56	-68.40
CC1CCCC(C)[NH+]1CCC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030039652	0	55	0.0	-65.85	430.85	4.54	-61.31
C[NH+](C)C1CCC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030039655	0	52	0.0	-71.67	406.25	3.88	-67.79
C[NH+](C)CCC1(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030039656	0	49	0.0	-62.96	409.50	3.82	-59.14
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030039661	0	52	0.0	-68.52	406.81	3.78	-64.74
C[N@@H+]1CC=CCC1CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030039662	0	47	0.0	-70.74	388.05	3.46	-67.28
C[N@H+]1CC=CCC1CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030039662	1	47	0.0	-72.23	388.03	3.46	-68.77
CC1=CC(C=CC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)=C[NH+]=C1N	REAL300030039725	1	46	0.0	-70.56	401.79	2.35	-68.21
C[NH+](C)CCOCC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030039740	0	46	0.0	-68.42	392.71	2.50	-65.92
CCCCC[N@H+](C)CCC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030039747	0	54	0.0	-71.81	441.42	4.94	-66.87
CCCCC[N@@H+](C)CCC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030039747	1	54	0.0	-71.57	441.42	4.93	-66.64
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030039761	0	50	0.0	-71.32	413.48	3.62	-67.70
[NH2+]=C1SC=CN1CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030039792	0	39	0.0	-65.88	363.90	1.59	-64.29
C[C@@H](OCC[NH+](C)C)C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030039886	0	49	0.0	-65.90	410.13	3.03	-62.87
O=C(CC[NH+]1CCCCCC1)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030039955	0	52	0.0	-71.84	410.83	4.03	-67.81
O=C(C[NH+]1CCCCC1)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030039959	0	46	0.0	-67.65	378.57	3.27	-64.38
C[N@@H+]1CCCC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030039961	0	46	0.0	-64.31	372.66	3.00	-61.31
C[N@H+]1CCCC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030039961	1	46	0.0	-64.31	372.66	3.00	-61.31
O=C(C[NH+]1CCCCCC1)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030039969	0	49	0.0	-66.95	387.91	3.47	-63.48
CN1C=C[N+](CC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030039976	0	41	0.0	-67.60	368.07	4.92	-62.68
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030039995	0	55	0.0	-73.94	419.94	4.08	-69.86
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030039995	1	55	0.0	-73.94	419.94	4.08	-69.86
CN(C)CC1=CC=C(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030040001	0	46	0.0	-76.16	399.43	3.06	-73.10
C[NH+](C)CC1=CC=C(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030040001	1	46	0.0	-76.16	399.43	3.06	-73.10
C[N@H+](CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030040034	0	43	0.0	-66.33	366.25	2.83	-63.50
CC(C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)N1CCN(C)CC1	REAL300030040036	0	51	0.0	-70.03	405.26	1.00	-69.03
CC(C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300030040036	1	51	0.0	-70.03	405.26	1.00	-69.03
O=C(CC[N@H+]1CCC(F)C1)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030040040	0	46	0.0	-74.07	391.17	3.20	-70.87
COC1C[N@H+](C)C(C)(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030040056	0	50	0.0	-65.30	400.20	1.61	-63.69
CC(CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030040079	0	48	0.0	-71.35	394.02	3.42	-67.93
O=C(NCC(F)=C1CN(C(=O)C2CC[N@@H+]3CCOCC23)C1)C1=CC(=O)[N-]O1	REAL300030040101	0	48	0.0	-68.20	391.30	1.59	-66.61
O=C(NCC(F)=C1CN(C(=O)C2CC[N@H+]3CCOCC23)C1)C1=CC(=O)[N-]O1	REAL300030040101	1	48	0.0	-68.20	391.30	1.59	-66.61
CN1CCOCC1CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030040130	0	47	0.0	-76.75	387.34	1.13	-75.62
C[N@@H+]1CCOCC1CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030040130	1	47	0.0	-76.68	387.39	1.13	-75.55
C[N@H+]1CCOCC1CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030040130	1	47	0.0	-76.68	387.39	1.13	-75.55
CC1=CC(N)=NC=C1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030040212	0	42	0.0	-70.10	365.48	0.67	-69.43
CC1=CC(N)=[NH+]C=C1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030040212	1	42	0.0	-70.10	365.48	0.67	-69.43
CC1(O)CC[N@H+](CC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030040273	0	47	0.0	-69.37	393.37	-0.18	-69.55
C[NH+](C)CCN1N=CC=C1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030040281	0	49	0.0	-66.09	411.58	2.58	-63.51
C[NH+]1CC(CC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030040317	0	43	0.0	-71.11	368.13	2.23	-68.88
O=C(NCC(F)=C1CN(C(=O)C2CC[N@@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300030040323	0	50	0.0	-67.83	407.45	4.17	-63.66
O=C(NCC(F)=C1CN(C(=O)C2CC[N@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300030040323	1	50	0.0	-67.83	407.45	4.17	-63.66
C[N@H+](CCO)CCC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030040378	0	46	0.0	-70.20	387.26	-0.61	-70.81
C[N@@H+](CCO)CCC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030040378	1	46	0.0	-70.20	387.26	-0.61	-70.81
C[N@@H+]1CCCCC1CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030040404	0	49	0.0	-73.05	396.04	3.48	-69.57
C[N@H+]1CCCCC1CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030040404	1	49	0.0	-73.05	396.04	3.48	-69.57
CC1=C2C=C(C(=O)N3CC(=C(F)CNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=N1	REAL300030040436	0	44	0.0	-73.72	384.38	4.94	-68.78
CC1=C2C=C(C(=O)N3CC(=C(F)CNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030040436	1	44	0.0	-73.72	384.38	4.94	-68.78
CC1CC[N@@H+]1CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030040443	0	43	0.0	-69.19	368.13	2.42	-66.77
C[NH+](C)CC=CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030040463	0	43	0.0	-73.98	372.60	2.61	-71.37
CC1(C)CN(CC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030040478	0	46	0.0	-68.64	387.42	3.02	-65.62
CC1(C)C[NH+](CC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030040478	1	46	0.0	-68.64	387.42	3.02	-65.62
O=C(CCCC[NH+]1CCCCC1)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030040492	0	55	0.0	-70.37	443.83	5.42	-64.95
CC1=C(C)NC(CCC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030040506	0	47	0.0	-63.98	407.07	2.70	-61.28
CC1=C(C)[NH+]=C(CCC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030040506	1	47	0.0	-63.98	407.07	2.70	-61.28
C[NH+]1CCC(C2(C(=O)N3CC(=C(F)CNC(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030040519	0	53	0.0	-76.72	425.31	4.84	-71.88
CC1=C2C=C(C(=O)N3CC(=C(F)CNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=N1	REAL300030040529	0	44	0.0	-73.72	384.38	4.94	-68.78
CC1=C2C=C(C(=O)N3CC(=C(F)CNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030040529	1	44	0.0	-73.72	384.38	4.94	-68.78
C[NH+](C)CCSCC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030040541	0	46	0.0	-74.45	403.73	3.34	-71.11
O=C(C[N@H+]1CCCC1CO)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030040570	0	47	0.0	-64.25	382.67	-0.06	-64.31
CC[NH+](CC)CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030040573	0	45	0.0	-66.17	372.94	2.76	-63.41
C[N@H+](CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300030040584	0	47	0.0	-74.94	396.17	3.65	-71.29
O=C(CN1CCC1)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030040586	0	40	0.0	-68.45	346.93	1.83	-66.62
O=C(C[NH+]1CCC1)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030040586	1	40	0.0	-68.45	346.93	1.83	-66.62
CC[NH+](CC)CCC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030040646	0	48	0.0	-69.32	390.44	3.06	-66.26
O=C(NCC(F)=C1CN(C(=O)C2CC3COCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030040755	0	48	0.0	-70.63	394.56	1.62	-69.01
O=C(NCC(F)=C1CN(C(=O)C2CC3COCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030040755	1	48	0.0	-70.63	394.56	1.62	-69.01
CCC(CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030040785	0	51	0.0	-70.72	408.34	3.87	-66.85
C[NH+](C)CC(C)(C)C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030040794	0	48	0.0	-68.64	379.22	2.67	-65.97
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030040868	0	46	0.0	-68.46	365.71	2.51	-65.95
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030040868	1	46	0.0	-67.36	378.47	2.88	-64.48
CC1CN2CC[N@@H+]1CC2C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030040885	0	49	0.0	-75.86	388.18	0.16	-75.70
CC1CN2CC[N@H+]1CC2C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030040885	1	49	0.0	-74.63	386.52	0.09	-74.54
C[NH+](C)CC(O)CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030040915	0	46	0.0	-73.97	389.45	0.47	-73.50
C[NH+]1C2CCC1CC(C(=O)N1CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030040918	0	50	0.0	-69.92	373.18	3.51	-66.41
C=CCC(C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030040967	0	46	0.0	-65.76	383.44	3.06	-62.70
O=C(NCC(F)=C1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030040979	0	50	0.0	-65.68	401.57	4.04	-61.64
O=C(NCC(F)=C1CN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030040979	1	50	0.0	-69.43	402.75	3.92	-65.51
C[NH+]1CCC(C)(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030040993	0	49	0.0	-62.75	387.16	3.02	-59.73
C[NH+]1CCC(O)(CC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030040998	0	50	0.0	-69.39	407.38	1.76	-67.63
COCC[N@@H+]1CCCC1CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030041014	0	53	0.0	-70.11	425.69	2.73	-67.38
COCC[N@H+]1CCCC1CC(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030041014	1	53	0.0	-71.26	428.11	2.36	-68.90
C[NH+]1C2CCC1CC(CC(=O)N1CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030041028	0	53	0.0	-72.98	402.51	3.87	-69.11
C[NH+](C)CCN1N=CC=C1C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030041068	0	49	0.0	-64.77	414.49	2.76	-62.01
C[NH+]1CCC(C2(C(=O)NCC(F)=C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030041115	0	53	0.0	-71.12	422.29	4.84	-66.28
CC1=C2C=C(C(=O)NCC(F)=C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030041127	1	44	0.0	-69.94	387.25	5.36	-64.58
C[NH+](C)CCSCC(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030041138	0	46	0.0	-77.79	401.87	3.13	-74.66
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2COCC[N@@H+]2C1	REAL300030041150	0	48	0.0	-66.77	393.38	1.65	-65.12
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2COCC[N@H+]2C1	REAL300030041150	1	48	0.0	-64.92	393.33	1.65	-63.27
C[N@@H+]1CCCC1C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030041314	0	51	0.0	-61.81	382.05	3.50	-58.31
C[N@H+]1CCCC1C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030041314	1	51	0.0	-62.55	382.68	3.59	-58.96
C[N@@H+]1CCOC(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030041338	1	52	0.0	-66.26	386.09	2.73	-63.53
C[N@H+]1CCOC(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030041338	1	52	0.0	-65.69	386.14	2.83	-62.86
CC(C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300030041499	0	60	0.0	-61.41	426.73	5.31	-56.10
CC(C)[N@@H+]1CCCCC1C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030041501	0	60	0.0	-58.98	429.82	5.04	-53.94
CC(C)[N@H+]1CCCCC1C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030041501	1	60	0.0	-60.11	422.87	4.98	-55.13
CC(C)[N@@H+]1CCCC1C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030041522	0	57	0.0	-60.70	414.79	4.56	-56.14
CC(C)[N@H+]1CCCC1C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030041522	1	57	0.0	-60.61	414.91	4.55	-56.06
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@@H+]2C1	REAL300030041538	0	58	0.0	-64.26	423.34	5.17	-59.09
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@H+]2C1	REAL300030041538	1	58	0.0	-63.17	423.37	5.27	-57.90
CC(C)C1=[NH+]C=CN1CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030041559	1	55	0.0	-61.23	421.74	5.28	-55.95
CC1=[NH+]C=CN1CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030041589	1	49	0.0	-62.77	385.53	4.16	-58.61
CC(C[NH+]1CCOCC1)C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030041590	0	58	0.0	-67.97	426.70	3.15	-64.82
O=C(CCC[NH+]1CCCCC1)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030041606	0	60	0.0	-67.65	441.14	5.75	-61.90
CC(C)(C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300030041624	0	60	0.0	-60.92	425.45	5.52	-55.40
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCC1CC2	REAL300030041632	0	55	0.0	-68.58	397.27	4.24	-64.34
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CCCC2CCC[N@@H+]21	REAL300030041673	0	58	0.0	-61.03	412.03	4.97	-56.06
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CCCC2CCC[N@H+]21	REAL300030041673	1	58	0.0	-58.62	419.86	5.25	-53.37
C[C@@H]1[C@H](C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030041687	0	54	0.0	-66.98	393.56	3.64	-63.34
C[C@@H]1[C@H](C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030041687	1	54	0.0	-67.02	397.57	3.69	-63.33
CC[C@@H]1[C@@H](C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030041691	0	57	0.0	-66.96	413.01	4.22	-62.74
CC[C@@H]1[C@@H](C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030041691	1	57	0.0	-66.74	418.46	4.50	-62.24
CC[N@@H+]1CCOC(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030041701	1	55	0.0	-70.45	410.97	3.52	-66.93
CC[N@H+]1CCOC(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030041701	1	55	0.0	-70.20	411.01	3.52	-66.68
CC[NH+](CC)CC(F)C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030041742	0	56	0.0	-65.40	414.35	4.13	-61.27
CC1CCC(C)[NH+]1CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030041805	0	57	0.0	-61.40	412.50	4.45	-56.95
O=C(CCC[NH+]1CCCC1)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030041811	0	57	0.0	-67.58	425.22	4.95	-62.63
C#CC[NH+]1CCC(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030041816	0	56	0.0	-70.43	425.35	5.36	-65.07
O=C(CC[NH+]1CCCCC1)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030041817	0	57	0.0	-66.37	419.39	4.84	-61.53
CC[N@@H+]1CCCCC1C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030041823	0	57	0.0	-60.62	415.45	4.67	-55.95
CC[N@H+]1CCCCC1C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030041823	1	57	0.0	-61.76	406.15	4.63	-57.13
CC(C)C[N@@H+]1CCC(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030041837	0	60	0.0	-65.60	440.89	5.39	-60.21
CC(C)C[N@H+]1CCC(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030041837	1	60	0.0	-66.73	442.12	5.48	-61.25
C[NH+](C)C1(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300030041841	0	54	0.0	-61.96	389.43	4.13	-57.83
CC(C)[N@@H+]1CCCC1CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030041843	0	60	0.0	-59.96	427.85	4.70	-55.26
CC(C)[N@H+]1CCCC1CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030041843	1	60	0.0	-60.18	424.85	4.47	-55.71
CC(C)[C@@H](C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030041856	0	56	0.0	-62.74	400.85	4.05	-58.69
C[N@H+](CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030041897	0	54	0.0	-63.09	402.32	4.53	-58.56
C[N@@H+](CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030041897	1	54	0.0	-63.21	402.21	4.51	-58.70
CC(C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300030041956	0	60	0.0	-59.07	426.49	4.90	-54.17
C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030042015	1	53	0.0	-62.14	402.62	4.19	-57.95
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030042015	1	53	0.0	-62.38	408.62	4.83	-57.55
C[N@@H+]1CCCC1CCC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030042021	0	57	0.0	-67.47	423.29	4.94	-62.53
C[N@H+]1CCCC1CCC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030042021	1	57	0.0	-66.88	418.05	4.56	-62.32
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+](CCC1)C2	REAL300030042030	0	58	0.0	-68.07	413.37	4.65	-63.42
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC2CCCC[N@@H+]21	REAL300030042033	0	58	0.0	-61.24	416.88	4.99	-56.25
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC2CCCC[N@H+]21	REAL300030042033	1	58	0.0	-59.59	423.98	5.48	-54.11
O=C(CCCC[NH+]1CCCC1)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030042049	0	60	0.0	-68.45	447.42	5.87	-62.58
C[NH+]1CCC(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030042060	0	54	0.0	-69.51	400.68	4.21	-65.30
C[NH+](C)CC1=CC(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)=NO1	REAL300030042095	1	53	0.0	-77.34	415.21	3.58	-73.76
CC1=C(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300030042096	0	52	0.0	-67.35	400.18	6.43	-60.92
C[N@@H+]1CCCCC1C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030042127	0	54	0.0	-61.85	397.75	4.10	-57.75
C[N@H+]1CCCCC1C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030042127	1	54	0.0	-63.50	387.95	3.99	-59.51
CC(C)C[N@@H+]1CCCC1C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030042149	0	60	0.0	-62.41	429.94	5.66	-56.75
CC(C)C[N@H+]1CCCC1C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030042149	1	60	0.0	-62.05	434.66	5.16	-56.89
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CN2C=[NH+]C=C2C=C1	REAL300030042249	0	49	0.0	-68.04	386.26	6.03	-62.01
CC1=[NH+]C=CN1CCCC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030042257	1	55	0.0	-65.03	426.36	5.33	-59.70
O=C(CC[NH+]1CCOCC1)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030042262	1	55	0.0	-69.52	410.66	2.43	-67.09
CC1=C[NH+]=CN1CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030042292	1	49	0.0	-65.17	384.81	4.85	-60.32
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+]1CCC2	REAL300030042331	0	55	0.0	-62.30	400.68	4.54	-57.76
C[NH+](C)C1CCCC(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030042355	0	60	0.0	-67.92	434.92	5.39	-62.53
C[N@@H+]1CCC(CC(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030042358	0	54	0.0	-68.94	402.78	4.10	-64.84
C[N@H+]1CCC(CC(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030042358	1	54	0.0	-69.36	402.31	4.13	-65.23
CN(C)C1=CC=[NH+]C=C1C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030042370	0	53	0.0	-68.98	406.81	3.35	-65.63
CCC(C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030042375	0	53	0.0	-62.53	384.00	3.54	-58.99
C[NH+](C)C1(CC(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300030042387	0	60	0.0	-60.89	424.33	5.25	-55.64
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC2=C[NH+]=CN2C=C1	REAL300030042428	1	49	0.0	-70.64	385.83	5.94	-64.70
C[NH+](C)CCCCC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030042482	0	56	0.0	-69.77	420.76	4.56	-65.21
CC(C)C(C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030042502	0	56	0.0	-63.86	405.38	4.67	-59.19
CCC[N@H+](C)CCC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030042504	0	56	0.0	-67.73	417.69	4.50	-63.23
CCC[N@@H+](C)CCC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030042504	1	56	0.0	-67.76	416.99	4.37	-63.39
CCC[N@H+](C)CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030042509	0	53	0.0	-65.07	395.33	3.96	-61.11
CCC[N@@H+](C)CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030042509	1	53	0.0	-65.07	395.32	3.96	-61.11
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C12CC[N@H+](C1)CCC2	REAL300030042532	0	55	0.0	-68.51	397.73	3.64	-64.87
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C12CC[N@@H+](C1)CCC2	REAL300030042532	1	55	0.0	-68.64	396.58	3.73	-64.91
C[N@@H+]1CCC[C@@H]1C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030042568	0	51	0.0	-63.97	375.82	3.00	-60.97
C[N@H+]1CCC[C@@H]1C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030042568	1	51	0.0	-62.06	382.56	3.54	-58.52
CCCCCC[N@H+](C)CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030042625	0	62	0.0	-66.13	459.82	6.30	-59.83
CCCCCC[N@@H+](C)CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030042625	1	62	0.0	-66.15	459.12	6.17	-59.98
CC[NH+](CC)C(C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300030042629	0	62	0.0	-59.35	434.33	5.89	-53.46
CC[NH+](CC)CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030042638	0	53	0.0	-63.39	386.91	3.51	-59.88
CCC[N@@H+]1CCCC(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030042670	0	60	0.0	-61.44	433.29	5.65	-55.79
CCC[N@H+]1CCCC(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030042670	1	60	0.0	-65.77	439.55	5.45	-60.32
CC(C)[N@@H+]1CCOC(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030042685	0	58	0.0	-68.73	427.76	4.03	-64.70
CC(C)[N@H+]1CCOC(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030042685	1	58	0.0	-63.59	420.18	3.86	-59.73
CC1CC[NH+](CC(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030042714	0	57	0.0	-64.81	418.09	4.92	-59.89
C[NH+]1CCC(OCC(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030042740	0	58	0.0	-73.03	435.34	4.51	-68.52
C[NH+](C)CC1(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030042751	0	54	0.0	-64.60	407.96	4.19	-60.41
CC(C)[NH+]1CCC(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030042824	0	60	0.0	-66.74	431.34	5.16	-61.58
C[NH+]1CCC(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030042842	0	54	0.0	-69.51	400.68	4.21	-65.30
CC(C)[C@H](C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030042860	0	56	0.0	-63.08	401.87	4.08	-59.00
CCC(C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300030042891	0	59	0.0	-59.39	419.73	4.88	-54.51
CC[N@H+](C)CCC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030042947	0	53	0.0	-67.14	395.49	3.63	-63.51
CC[N@@H+](C)CCC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030042947	1	53	0.0	-67.14	395.49	3.62	-63.52
CC1CCC[N@@H+]1CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043003	0	54	0.0	-61.84	401.85	4.07	-57.77
CC1CCC[N@H+]1CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043003	1	54	0.0	-62.11	401.25	4.33	-57.78
CC1CC[N@H+](CC(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030043005	0	54	0.0	-64.08	401.88	4.17	-59.91
CC1CC[N@@H+](CC(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030043005	1	54	0.0	-64.08	401.45	4.30	-59.78
CC1(C)CC[N@H+](CC(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030043009	0	57	0.0	-63.99	421.05	4.65	-59.34
CC1(C)CC[N@@H+](CC(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030043009	1	57	0.0	-64.01	421.64	4.80	-59.21
C[N@H+](CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030043010	0	59	0.0	-64.82	423.40	4.93	-59.89
C[N@@H+](CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030043010	1	59	0.0	-64.24	426.23	5.07	-59.17
CC[C@@H](C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030043018	0	53	0.0	-62.52	386.09	3.58	-58.94
C[NH+]1CCC(O)(CC(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030043175	0	58	0.0	-66.92	423.73	2.95	-63.97
C[NH+](C)CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043187	0	47	0.0	-65.76	355.40	2.43	-63.33
O=C(C[NH+]1CCC(CO)CC1)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043191	0	58	0.0	-66.24	428.92	1.61	-64.63
O=C(C[NH+]1CCCCCC1)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043192	0	57	0.0	-64.21	406.47	4.48	-59.73
CN1C=C[N+](CC(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300030043196	0	49	0.0	-63.66	387.33	6.05	-57.61
C[N@@H+]1CCCC(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030043203	0	54	0.0	-67.08	400.41	4.04	-63.04
C[N@H+]1CCCC(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030043203	1	54	0.0	-61.81	394.12	4.25	-57.56
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@@H+]1C1CC1	REAL300030043208	0	55	0.0	-62.66	407.80	4.38	-58.28
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@H+]1C1CC1	REAL300030043208	1	55	0.0	-62.28	406.06	4.40	-57.88
CC(C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030043235	1	51	0.0	-62.76	384.15	3.58	-59.18
CCC(CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030043240	0	59	0.0	-69.25	426.66	4.92	-64.33
C[NH+](C)CC(C)(C)C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043247	0	56	0.0	-66.72	405.98	4.22	-62.50
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C12CC(C1)C[N@@H+]2C1CC1	REAL300030043264	0	56	0.0	-61.02	412.84	5.07	-55.95
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C12CC(C1)C[N@H+]2C1CC1	REAL300030043264	1	56	0.0	-61.58	413.12	5.79	-55.79
O=C(C[NH+]1CCC(O)CC1)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043272	1	55	0.0	-68.57	408.33	0.96	-67.61
C[N@H+](CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030043273	0	51	0.0	-62.49	384.66	3.82	-58.67
C[N@@H+](CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030043273	1	51	0.0	-62.80	384.79	3.83	-58.97
CC(C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300030043274	1	59	0.0	-68.35	428.69	2.34	-66.01
C[NH+]1CC(CC(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030043292	0	51	0.0	-67.73	386.83	3.24	-64.49
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@@H+]1C1CCCC1	REAL300030043296	0	58	0.0	-64.03	428.08	5.39	-58.64
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@H+]1C1CCCC1	REAL300030043296	1	58	0.0	-64.09	427.00	5.32	-58.77
CC(C)(C)[N@@H+]1CCC1C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043304	0	57	0.0	-61.48	417.07	4.16	-57.32
CC(C)(C)[N@H+]1CCC1C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043304	1	57	0.0	-61.69	399.45	4.01	-57.68
C[C@@H](C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030043315	0	50	0.0	-63.70	373.82	2.91	-60.79
CCC1CCC[N@H+](CC(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030043354	0	60	0.0	-64.57	429.86	5.52	-59.05
CCC1CCC[N@@H+](CC(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030043354	1	60	0.0	-64.61	436.79	5.54	-59.07
C[NH+](C)CC1=CC=C(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)N1	REAL300030043361	0	55	0.0	-72.04	422.82	3.71	-68.33
[NH2+]=C1SC=CN1CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043402	0	47	0.0	-61.75	383.17	2.73	-59.02
C[N@H+](CCO)CCC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043412	0	54	0.0	-66.99	406.81	0.54	-66.45
C[N@@H+](CCO)CCC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043412	1	54	0.0	-66.82	405.99	0.53	-66.29
C[C@@H](C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030043413	0	50	0.0	-63.70	373.82	2.91	-60.79
C[N@@H+]1CCCC[C@@H]1C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043417	0	54	0.0	-63.31	388.91	3.98	-59.33
C[N@H+]1CCCC[C@@H]1C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043417	1	54	0.0	-61.72	396.96	4.08	-57.64
CC1CN2CC[N@@H+]1CC2C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043425	0	57	0.0	-67.19	408.46	1.42	-65.77
CC1CN2CC[N@H+]1CC2C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043425	1	57	0.0	-67.70	408.55	1.43	-66.27
O=C(CC1=CC2=C[NH+]=CN2C=C1)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043467	0	52	0.0	-67.93	410.50	6.73	-61.20
C[N@H+](CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300030043490	0	55	0.0	-69.96	415.30	4.79	-65.17
C[N@@H+](CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300030043490	1	55	0.0	-69.99	414.73	4.64	-65.35
O=C(C[NH+]1CCC1)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043491	1	48	0.0	-65.38	366.19	2.97	-62.41
C[N@@H+]1CCC(=CC(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030043521	0	52	0.0	-71.50	393.71	3.99	-67.51
C[N@H+]1CCC(=CC(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030043521	1	52	0.0	-71.30	394.73	4.07	-67.23
C[NH+](C)CCOCC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043554	0	54	0.0	-67.65	411.27	3.47	-64.18
CCCCC[N@H+](C)CCC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043560	0	62	0.0	-68.65	459.98	5.94	-62.71
CCCCC[N@@H+](C)CCC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043560	1	62	0.0	-68.54	460.96	6.06	-62.48
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030043569	0	58	0.0	-68.54	434.66	4.42	-64.12
C=CCC(C)(C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030043576	0	57	0.0	-61.25	407.07	4.26	-56.99
C[S+](C)CCC(O)C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043581	0	53	0.0	-67.00	420.24	2.08	-64.92
C[N@@H+]1CC(O)CC1(C)C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043606	0	55	0.0	-65.47	403.79	1.01	-64.46
CN1CC[N@H+](C)CC(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030043616	0	59	0.0	-65.93	426.12	2.62	-63.31
CN1CC[N@@H+](C)CC(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030043616	1	59	0.0	-65.93	426.12	2.62	-63.31
CC(C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300030043617	0	58	0.0	-63.79	426.91	1.46	-62.33
C[N@@H+]1CCCC(O)(CC(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030043635	0	58	0.0	-63.72	426.02	2.76	-60.96
C[N@H+]1CCCC(O)(CC(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030043635	1	58	0.0	-63.72	426.02	2.76	-60.96
CC1CN(CC(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030043638	0	51	0.0	-65.26	386.17	3.71	-61.55
CC1C[NH+](CC(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030043638	1	51	0.0	-65.26	386.17	3.71	-61.55
CN(CCO)CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043664	0	51	0.0	-65.65	383.47	-0.15	-65.80
C[N@H+](CCO)CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043664	1	51	0.0	-65.03	384.27	-0.01	-65.04
C[N@@H+](CCO)CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043664	1	51	0.0	-65.03	384.27	-0.01	-65.04
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1C[N@@H+]2CCN1CCC2	REAL300030043686	0	57	0.0	-69.75	405.45	2.22	-67.53
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1C[N@H+]2CCN1CCC2	REAL300030043686	1	57	0.0	-69.75	405.45	2.22	-67.53
CC[N@@H+]1CCCC(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030043692	0	57	0.0	-65.30	418.06	4.70	-60.60
CC[N@H+]1CCCC(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030043692	1	57	0.0	-65.30	418.06	4.70	-60.60
CC(CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030043694	0	56	0.0	-69.75	412.38	4.42	-65.33
CC[N@H+](C)CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043705	0	50	0.0	-64.76	373.12	3.08	-61.68
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C12CCC[N@@H+]1CCCC2	REAL300030043729	0	58	0.0	-60.35	409.51	4.93	-55.42
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C12CCC[N@H+]1CCCC2	REAL300030043729	1	58	0.0	-60.35	409.51	4.93	-55.42
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C12CCC[N@@H+]1CC=CC2	REAL300030043734	0	56	0.0	-61.99	402.40	4.94	-57.05
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C12CCC[N@H+]1CC=CC2	REAL300030043734	1	56	0.0	-61.99	402.40	4.94	-57.05
CC[N@H+](CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030043754	0	54	0.0	-61.43	401.18	4.27	-57.16
CC[NH+](CC)CCC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043770	0	56	0.0	-65.97	412.68	4.36	-61.61
CC1(C)CN(CC(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030043793	0	54	0.0	-64.88	406.50	4.13	-60.75
CC1(C)C[NH+](CC(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030043793	1	54	0.0	-64.88	406.50	4.13	-60.75
CC1(O)CC[N@H+](CC(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030043818	0	55	0.0	-64.44	411.74	0.83	-63.61
C[NH+](C)CC=CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043825	0	51	0.0	-70.80	391.35	3.63	-67.17
CC(OCC[NH+](C)C)C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043846	0	57	0.0	-66.41	431.01	4.19	-62.22
C[NH+](C)CCOCCC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043854	0	57	0.0	-67.51	432.18	3.23	-64.28
COCC[N@H+](C)CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043855	1	54	0.0	-64.95	406.51	2.40	-62.55
COCC[N@@H+](C)CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043855	1	54	0.0	-65.61	405.72	2.25	-63.36
C[NH+](C)C1(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300030043888	0	57	0.0	-64.04	408.72	4.96	-59.08
CC(CCC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030043891	0	56	0.0	-68.14	408.42	4.17	-63.97
CC[N@@H+]1CCC1C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043898	1	51	0.0	-63.01	380.69	3.22	-59.79
CC[N@H+]1CCC1C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043898	1	51	0.0	-63.83	387.46	3.44	-60.39
CC(C)[N@@H+]1CCCC(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030043908	0	60	0.0	-60.25	427.98	5.42	-54.83
CC(C)[N@H+]1CCCC(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030043908	1	60	0.0	-60.27	428.44	5.42	-54.85
O=C(C[N@H+]1CCCC1CO)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043921	0	55	0.0	-63.21	410.82	1.08	-62.13
O=C(C[N@@H+]1CCCC1CO)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043921	1	55	0.0	-63.70	409.14	1.11	-62.59
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@@H+]2C1	REAL300030043943	0	58	0.0	-64.26	423.34	5.17	-59.09
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@H+]2C1	REAL300030043943	1	58	0.0	-63.17	423.37	5.27	-57.90
C[NH+]1CCC(C)(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030043949	0	57	0.0	-65.55	413.16	4.52	-61.03
C[NH+](C)CC1=CNC(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300030043955	0	55	0.0	-70.89	422.47	3.82	-67.07
CC(C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300030043969	0	58	0.0	-65.45	426.60	1.48	-63.97
C=CCC(C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030043977	0	54	0.0	-61.66	398.73	3.96	-57.70
C[N@@H+]1CC(C)(C)CC1C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043987	0	57	0.0	-63.46	415.81	4.15	-59.31
C[N@H+]1CC(C)(C)CC1C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043987	1	57	0.0	-63.86	410.14	4.11	-59.75
C[NH+](C)CCCCCC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043991	0	59	0.0	-69.86	442.25	5.34	-64.52
O=C(C[NH+]1CC2CC2C1)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043999	0	52	0.0	-64.57	390.73	4.30	-60.27
CC1C[N@@H+]2CCN1C(C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030044025	0	57	0.0	-69.10	409.16	1.59	-67.51
CC1C[N@H+]2CCN1C(C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030044025	1	57	0.0	-69.49	408.88	1.44	-68.05
CCCC(C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030044026	0	56	0.0	-64.43	409.45	4.36	-60.07
C[NH+](C)C(C)(C)C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044030	0	53	0.0	-63.70	382.85	3.58	-60.12
C[N@@H+]1CCCCC1C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044068	0	54	0.0	-61.85	397.75	4.10	-57.75
C[N@H+]1CCCCC1C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044068	1	54	0.0	-63.50	387.95	3.99	-59.51
C[N@H+]1CC=C(CC(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030044101	0	55	0.0	-68.14	415.50	4.86	-63.28
C[N@@H+]1CC=C(CC(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030044101	1	55	0.0	-67.07	414.54	4.76	-62.31
O=C(CC1([NH+]2CCCC2)CC1)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044110	0	58	0.0	-63.43	419.88	5.18	-58.25
C[NH+](C)CC1=CC=C(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030044154	1	54	0.0	-71.43	420.68	4.36	-67.07
O=C(C=CC[NH+]1CCCC1)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044170	0	55	0.0	-69.46	417.70	4.84	-64.62
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CC[NH+](C2CC2)CC1	REAL300030044191	0	58	0.0	-66.48	424.81	5.29	-61.19
C[NH+](C)C1(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030044210	0	51	0.0	-64.87	384.58	3.82	-61.05
O=C(CC[NH+]1CCCC1)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044212	0	54	0.0	-66.56	403.72	4.15	-62.41
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCN1CC2	REAL300030044246	0	54	0.0	-69.97	392.49	0.99	-68.98
C[N@@H+]1CC2CC1(C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030044256	0	52	0.0	-63.58	387.33	3.61	-59.97
C[N@H+]1CC2CC1(C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030044256	1	52	0.0	-63.86	386.12	3.85	-60.01
O=C(C[N@@H+]1CC2CCC1C2)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044268	0	55	0.0	-62.70	402.82	4.66	-58.04
O=C(C[N@H+]1CC2CCC1C2)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044268	1	55	0.0	-62.64	402.51	4.64	-58.00
O=C(C=C1C[NH+]2CCC1CC2)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044309	0	56	0.0	-66.29	411.53	4.81	-61.48
O=C(C[N@@H+]1CC2C=CC1C2)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044319	1	53	0.0	-62.00	394.64	4.27	-57.73
O=C(C[N@H+]1CC2C=CC1C2)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044319	1	53	0.0	-61.95	395.05	4.30	-57.65
CC[NH+]1CCN(CC(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030044350	0	59	0.0	-67.06	433.12	2.72	-64.34
CC(C[NH+](C)C)C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044367	0	53	0.0	-67.30	393.77	3.69	-63.61
C[N@@H+]1CCCCC1CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044437	0	57	0.0	-59.91	407.83	4.61	-55.30
C[N@H+]1CCCCC1CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044437	1	57	0.0	-67.50	414.80	4.73	-62.77
CC1=C2C=C(C(=O)NCCC3CCCCN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030044453	1	52	0.0	-68.48	408.45	6.63	-61.85
CC(C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300030044454	0	54	0.0	-62.55	405.12	4.19	-58.36
CC1CC[N@@H+]1CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044457	1	51	0.0	-63.09	381.61	3.23	-59.86
CC1CC[N@H+]1CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044457	1	51	0.0	-63.83	386.68	3.51	-60.32
C[NH+](C)CC(O)CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044461	0	54	0.0	-71.60	408.05	1.45	-70.15
CC1C[N@H+](C)CC(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030044488	1	55	0.0	-71.08	407.94	3.71	-67.37
CC1C[N@@H+](C)CC(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030044488	1	55	0.0	-73.02	414.68	3.73	-69.29
O=C(CC[NH+]1CCC(O)CC1)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044497	0	58	0.0	-70.01	430.48	1.50	-68.51
CCC[N@@H+]1CCCCC1C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044499	0	60	0.0	-62.18	427.23	5.38	-56.80
CCC[N@H+]1CCCCC1C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044499	1	60	0.0	-62.10	427.65	5.38	-56.72
C[NH+](C)[C@H]1C[C@H](C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030044569	0	54	0.0	-67.36	405.56	4.16	-63.20
CC(CC[NH+](C)C)C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044577	0	56	0.0	-68.84	415.43	4.32	-64.52
C[N@H+](CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300030044597	0	58	0.0	-63.32	427.00	1.76	-61.56
C[N@@H+](CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300030044597	1	58	0.0	-63.01	426.62	1.92	-61.09
C#CC[N@H+]1CCCCC1C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044603	1	56	0.0	-62.18	413.75	5.03	-57.15
C#CC[N@@H+]1CCCCC1C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044603	1	56	0.0	-62.09	413.53	5.06	-57.03
C[NH+]1CCN(CC(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030044606	1	56	0.0	-68.34	415.11	2.06	-66.28
CC[NH+]1CCN(CC(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030044615	0	59	0.0	-67.06	433.12	2.72	-64.34
NC(=[NH2+])SCC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044639	0	45	0.0	-66.73	363.92	-0.70	-67.43
CC[N@@H+]1CCOCC1CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044674	0	58	0.0	-68.38	423.60	2.91	-65.47
C[NH+](C)C1CCC(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030044689	0	60	0.0	-65.57	428.39	5.24	-60.33
C[NH+](C)CCC1(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030044690	0	57	0.0	-66.99	430.76	5.05	-61.94
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030044692	0	60	0.0	-64.03	428.20	5.21	-58.82
C[N@@H+]1CC=CCC1CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044693	0	55	0.0	-68.12	406.96	4.57	-63.55
C[N@H+]1CC=CCC1CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044693	1	55	0.0	-68.12	406.96	4.57	-63.55
C[C@@H](OCC[NH+](C)C)C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044714	0	57	0.0	-66.54	431.64	4.28	-62.26
C[NH+]1C2CCC1CC(C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030044740	0	58	0.0	-62.15	398.03	4.92	-57.23
CC(C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300030044846	1	55	0.0	-65.36	409.68	4.32	-61.04
CCC1C[NH+](CC(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030044848	1	54	0.0	-65.81	408.75	4.39	-61.42
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1([NH+]2CCCC2)CCC1	REAL300030044850	0	58	0.0	-61.37	417.77	5.07	-56.30
C[N@@H+]1CCC[C@H]1C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044859	0	51	0.0	-62.57	381.74	3.46	-59.11
C[N@H+]1CCC[C@H]1C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044859	1	51	0.0	-63.83	375.38	2.96	-60.87
O=C(CC[N@H+]1CCC(F)C1)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044866	0	54	0.0	-69.97	410.56	4.35	-65.62
O=C(CC[N@@H+]1CCC(F)C1)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044866	1	54	0.0	-70.12	410.26	4.36	-65.76
COC1C[N@H+](C)C(C)(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030044874	0	58	0.0	-64.89	425.48	3.39	-61.50
COC1C[N@@H+](C)C(C)(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030044874	1	58	0.0	-63.65	426.08	2.88	-60.77
O=C(CC[NH+]1CCCCCC1)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044882	0	60	0.0	-67.93	429.41	5.04	-62.89
O=C(C[NH+]1CCCCC1)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044884	0	54	0.0	-64.15	397.11	4.29	-59.86
CC1C(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030044894	0	54	0.0	-66.86	393.94	3.75	-63.11
CC1C(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030044894	1	54	0.0	-66.93	399.16	3.76	-63.17
C[N@@H+]1CCCCC1CCC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044896	0	60	0.0	-66.74	437.15	5.44	-61.30
C[N@H+]1CCCCC1CCC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044896	1	60	0.0	-66.60	436.62	5.35	-61.25
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@@H+]2CCOCC12	REAL300030044924	0	56	0.0	-68.72	415.01	2.82	-65.90
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@H+]2CCOCC12	REAL300030044924	1	56	0.0	-63.91	411.26	2.87	-61.04
CC1=[NH+]C=C2C=CC(C(=O)NCCC3CCCCN3C(=O)C3=CC(=O)[N-]O3)=CN21	REAL300030044929	0	52	0.0	-63.94	406.97	5.69	-58.25
C[N@@H+]1CCOCC1CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044943	1	55	0.0	-70.76	406.19	2.36	-68.40
C[N@H+]1CCOCC1CC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044943	1	55	0.0	-70.86	406.37	2.35	-68.51
CC1=C(C)[NH+]=C(CCC(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)N1	REAL300030044951	1	55	0.0	-61.82	425.63	3.71	-58.11
C[N@@H+]1CCCC1C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030045121	0	51	0.0	-66.60	382.71	3.58	-63.02
C[N@H+]1CCCC1C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030045121	1	51	0.0	-68.83	377.90	3.20	-65.63
CC1=[NH+]C=CN1CCCC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030045305	1	55	0.0	-66.66	429.61	5.64	-61.02
O=C(CC[NH+]1CCOCC1)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030045310	1	55	0.0	-74.50	413.92	2.76	-71.74
O=C(NCCC1CCCCN1C(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC(=O)[N-]O1	REAL300030045335	1	49	0.0	-75.86	388.17	5.85	-70.01
C[NH+](C)C1CCCC(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030045381	0	60	0.0	-68.83	433.43	5.27	-63.56
C[N@@H+]1CCC(CC(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030045384	0	54	0.0	-71.52	405.42	4.27	-67.25
C[N@H+]1CCC(CC(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030045384	1	54	0.0	-72.39	404.97	4.33	-68.06
CCC(C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030045399	0	53	0.0	-66.15	384.74	3.55	-62.60
C[NH+](C)CCCCC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030045455	0	56	0.0	-71.91	424.01	4.86	-67.05
CCC[N@H+](C)CCC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030045475	0	56	0.0	-72.43	420.84	4.71	-67.72
CCC[N@@H+](C)CCC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030045475	1	56	0.0	-72.41	420.67	4.67	-67.74
CCC[N@H+](C)CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030045479	0	53	0.0	-70.26	397.88	4.09	-66.17
CCC[N@@H+](C)CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030045479	1	53	0.0	-70.22	397.87	4.09	-66.13
O=C(NCCC1CCCCN1C(=O)C12CC[N@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300030045497	0	55	0.0	-71.51	392.26	3.54	-67.97
O=C(NCCC1CCCCN1C(=O)C12CC[N@@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300030045497	1	55	0.0	-78.97	389.90	3.40	-75.57
CCCCCC[N@H+](C)CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030045522	0	62	0.0	-71.52	462.37	6.41	-65.11
CCCCCC[N@@H+](C)CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030045522	1	62	0.0	-71.47	463.02	6.43	-65.04
CC1CC[NH+](CC(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030045555	0	57	0.0	-71.03	421.83	5.15	-65.88
C[NH+]1CCC(OCC(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030045576	0	58	0.0	-75.94	439.15	4.67	-71.27
O=C(NCCC1CCCCN1C(=O)C1CC2CCCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300030045611	0	58	0.0	-68.64	422.91	5.21	-63.43
O=C(NCCC1CCCCN1C(=O)C1CC2CCCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300030045611	1	58	0.0	-67.10	422.39	5.26	-61.84
C[NH+](C)CC1(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030045621	0	54	0.0	-70.39	406.10	4.17	-66.22
CC(C)[NH+]1CCC(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030045631	0	60	0.0	-71.33	433.78	5.19	-66.14
CC[N@H+](C)CCC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030045650	0	53	0.0	-71.57	399.36	3.94	-67.63
CC[N@@H+](C)CCC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030045650	1	53	0.0	-71.66	398.74	3.96	-67.70
O=C(NCCC1CCCCN1C(=O)C1C[NH+]2CCC1CC2)C1=CC(=O)[N-]O1	REAL300030045678	0	55	0.0	-77.29	396.13	4.14	-73.15
C[NH+]1CCC(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030045742	0	54	0.0	-74.58	400.00	4.16	-70.42
CC[NH+](CC)CC(F)C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030045824	0	56	0.0	-72.11	415.19	4.31	-67.80
CC(C)C[N@@H+]1CCC(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030045848	0	60	0.0	-69.51	440.01	5.53	-63.98
CC(C)C[N@H+]1CCC(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030045848	1	60	0.0	-70.21	439.71	5.48	-64.73
CCC(C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300030045873	0	59	0.0	-63.42	420.88	4.86	-58.56
CC1CCC[N@@H+]1CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030045889	0	54	0.0	-66.89	405.06	4.32	-62.57
CC1CCC[N@H+]1CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030045889	1	54	0.0	-67.56	403.80	4.45	-63.11
CC(C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300030045937	0	60	0.0	-65.83	422.79	5.00	-60.83
CC(C)[N@@H+]1CCCC1C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030045956	0	57	0.0	-67.13	409.85	5.05	-62.08
CC(C)[N@H+]1CCCC1C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030045956	1	57	0.0	-65.23	414.09	4.55	-60.68
CC(C)[N@@H+]1CCCC1CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030045961	0	60	0.0	-69.18	439.19	5.43	-63.75
CC(C)[N@H+]1CCCC1CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030045961	1	60	0.0	-68.92	427.88	4.93	-63.99
CC1CC[N@H+](CC(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030045988	0	54	0.0	-69.59	404.75	4.39	-65.20
CC1CC[N@@H+](CC(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030045988	1	54	0.0	-69.54	404.62	4.40	-65.14
CC1(C)CC[N@H+](CC(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030045991	0	57	0.0	-70.00	423.87	4.90	-65.10
CC1(C)CC[N@@H+](CC(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030045991	1	57	0.0	-69.79	424.59	4.92	-64.87
C[N@H+](CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030045992	0	59	0.0	-70.47	425.97	5.08	-65.39
C[N@@H+](CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030045992	1	59	0.0	-69.93	429.28	5.27	-64.66
CC[C@@H](C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030045999	0	53	0.0	-68.04	389.60	3.76	-64.28
CC1=[NH+]C=CN1CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030046174	1	49	0.0	-64.98	388.07	4.28	-60.70
CC(C[NH+]1CCOCC1)C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030046175	1	58	0.0	-72.39	427.15	3.18	-69.21
O=C(CCC[NH+]1CCCCC1)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030046188	0	60	0.0	-70.36	444.70	5.95	-64.41
C[NH+](C)CC1=CC(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)=NO1	REAL300030046198	1	53	0.0	-76.49	414.23	3.96	-72.53
CC1=C(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300030046199	0	52	0.0	-73.47	410.94	6.45	-67.02
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030046231	1	55	0.0	-63.90	424.40	5.41	-58.49
O=C(NCCC1CCCCN1C(=O)C1CCCC2CCC[N@@H+]21)C1=CC(=O)[N-]O1	REAL300030046259	0	58	0.0	-62.88	420.33	5.27	-57.61
O=C(NCCC1CCCCN1C(=O)C1CCCC2CCC[N@H+]21)C1=CC(=O)[N-]O1	REAL300030046259	1	58	0.0	-63.12	422.22	5.31	-57.81
CC[N@@H+]1CCOC(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030046273	1	55	0.0	-71.70	401.86	3.22	-68.48
CC[N@H+]1CCOC(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030046273	1	55	0.0	-73.36	402.56	3.23	-70.13
O=C(NCCC1CCCCN1C(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC(=O)[N-]O1	REAL300030046311	0	49	0.0	-71.05	386.77	5.81	-65.24
CC1=C[NH+]=CN1CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030046316	1	49	0.0	-67.80	388.41	5.01	-62.79
C[C@@H]1[C@H](C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030046328	0	54	0.0	-74.09	394.29	3.65	-70.44
C[C@@H]1[C@H](C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030046328	1	54	0.0	-70.54	395.94	4.29	-66.25
CC[C@@H]1[C@@H](C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030046331	0	57	0.0	-71.38	411.29	4.19	-67.19
CC[C@@H]1[C@@H](C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030046331	1	57	0.0	-71.46	417.14	4.45	-67.01
CC1CCC(C)[NH+]1CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030046339	0	57	0.0	-65.70	416.39	4.55	-61.15
O=C(CCC[NH+]1CCCC1)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030046345	0	57	0.0	-70.08	428.47	5.26	-64.82
C#CC[NH+]1CCC(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030046350	0	56	0.0	-75.32	426.81	5.37	-69.95
O=C(CC[NH+]1CCCCC1)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030046351	0	57	0.0	-70.90	423.25	5.17	-65.73
C[NH+](C)C1(CC(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300030046386	0	60	0.0	-73.30	421.45	5.16	-68.14
C[N@H+](CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030046501	0	54	0.0	-67.77	404.86	4.65	-63.12
C[N@@H+](CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030046501	1	54	0.0	-68.22	404.76	4.65	-63.57
CC(C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300030046518	0	60	0.0	-64.11	426.45	4.85	-59.26
O=C(CCCC[NH+]1CCCC1)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030046530	0	60	0.0	-70.49	449.97	6.04	-64.45
C[NH+]1CCC(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030046541	0	54	0.0	-74.58	400.00	4.16	-70.42
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030046572	0	51	0.0	-68.79	377.39	3.20	-65.59
C[N@H+]1CCC[C@@H]1C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030046572	1	51	0.0	-66.56	381.33	3.54	-63.02
C[N@@H+]1CCCC1CCC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030046597	0	57	0.0	-68.50	420.59	4.72	-63.78
C[N@H+]1CCCC1CCC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030046597	1	57	0.0	-68.48	420.99	4.75	-63.73
O=C(NCCC1CCCCN1C(=O)C1CCC2CCCC[N@@H+]21)C1=CC(=O)[N-]O1	REAL300030046606	0	58	0.0	-66.51	418.26	5.10	-61.41
O=C(NCCC1CCCCN1C(=O)C1CCC2CCCC[N@H+]21)C1=CC(=O)[N-]O1	REAL300030046606	1	58	0.0	-64.80	422.89	5.42	-59.38
CCC[N@@H+]1CCCC(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030046662	0	60	0.0	-69.71	439.00	5.45	-64.26
CCC[N@H+]1CCCC(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030046662	1	60	0.0	-69.81	440.67	5.53	-64.28
CC(C)[N@@H+]1CCOC(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030046673	1	58	0.0	-77.95	426.26	3.91	-74.04
CC(C)[N@H+]1CCOC(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030046673	1	58	0.0	-69.03	419.32	3.74	-65.29
O=C(C[NH+]1CCC(CO)CC1)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030046722	0	58	0.0	-71.86	432.66	1.84	-70.02
CC1C(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030046762	0	54	0.0	-73.88	395.05	3.68	-70.20
CC1C(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030046762	1	54	0.0	-69.06	401.07	3.99	-65.07
C[N@@H+]1CCCCC1CCC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030046764	0	60	0.0	-67.78	439.88	5.64	-62.14
C[N@H+]1CCCCC1CCC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030046764	1	60	0.0	-67.85	439.68	5.63	-62.22
NC1=[NH+]C2=C(C=C1C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030046790	1	54	0.0	-62.34	415.45	3.45	-58.89
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030046834	0	57	0.0	-66.74	420.13	4.40	-62.34
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030046834	1	57	0.0	-66.76	390.54	3.92	-62.84
C[C@@H](C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030046851	0	50	0.0	-68.04	373.43	2.99	-65.05
C=CCC(C)(C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030046868	0	57	0.0	-71.60	404.70	3.98	-67.62
O=C(CC[NH+]1CCCC1)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030046890	0	54	0.0	-71.05	407.59	4.45	-66.60
C[N@H+](CCO)CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030046899	1	51	0.0	-70.73	386.72	0.10	-70.63
C[N@@H+](CCO)CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030046899	1	51	0.0	-70.57	386.58	0.08	-70.49
O=C(NCCC1CCCCN1C(=O)C1C[N@@H+]2CCN1CCC2)C1=CC(=O)[N-]O1	REAL300030046932	0	57	0.0	-79.40	401.27	2.06	-77.34
O=C(NCCC1CCCCN1C(=O)C1C[N@H+]2CCN1CCC2)C1=CC(=O)[N-]O1	REAL300030046932	1	57	0.0	-75.84	405.34	1.89	-73.95
CC(C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300030046950	1	55	0.0	-71.28	409.96	4.31	-66.97
C[N@H+]1CC=C(CC(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030046978	0	55	0.0	-66.42	418.22	5.04	-61.38
C[N@@H+]1CC=C(CC(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030046978	1	55	0.0	-64.30	418.15	5.03	-59.27
C[S+](C)CCC(O)C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030046990	0	53	0.0	-77.84	419.74	1.95	-75.89
CN1CC[N@H+](C)CC(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030047015	0	59	0.0	-66.84	430.35	2.60	-64.24
CN1CC[N@@H+](C)CC(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030047015	1	59	0.0	-67.26	425.68	2.10	-65.16
CC(C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300030047016	0	58	0.0	-67.93	425.63	1.69	-66.24
CC(C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1)[N@H+]1CCCC(O)C1	REAL300030047016	1	58	0.0	-67.99	425.80	1.75	-66.24
C[N@@H+]1CCCC(O)(CC(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030047047	0	58	0.0	-64.49	419.59	2.71	-61.78
C[N@H+]1CCCC(O)(CC(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030047047	1	58	0.0	-69.48	416.88	2.83	-66.65
CC1C[NH+](CC(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030047051	1	51	0.0	-70.05	390.34	3.77	-66.28
CC[N@@H+]1CCCC(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030047056	0	57	0.0	-62.41	411.56	4.96	-57.45
CC[N@H+]1CCCC(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030047056	1	57	0.0	-62.50	410.92	4.95	-57.55
NC1=[NH+]C=CC=C1CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047062	0	50	0.0	-64.01	392.89	2.55	-61.46
O=C(NCCC1CCCCN1C(=O)C1CCC[N@@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300030047072	0	55	0.0	-65.04	413.14	5.03	-60.01
O=C(NCCC1CCCCN1C(=O)C1CCC[N@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300030047072	1	55	0.0	-64.81	408.88	4.87	-59.94
O=C(C=CC[NH+]1CCCC1)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047110	0	55	0.0	-72.86	420.22	5.10	-67.76
O=C(NCCC1CCCCN1C(=O)C1CC[NH+](C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300030047129	0	58	0.0	-72.04	429.32	5.56	-66.48
CC[N@H+](C)CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047161	0	50	0.0	-69.85	376.38	3.34	-66.51
O=C(CN1CC2C=CC1C2)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047205	0	53	0.0	-65.66	398.39	4.55	-61.11
O=C(C[N@@H+]1CC2C=CC1C2)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047205	1	53	0.0	-68.40	398.13	4.63	-63.77
O=C(C[N@H+]1CC2C=CC1C2)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047205	1	53	0.0	-68.40	398.13	4.63	-63.77
CC(OCC[NH+](C)C)C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047322	0	57	0.0	-65.74	430.20	4.10	-61.64
C[NH+](C)CCOCCC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047331	0	57	0.0	-70.12	435.38	3.55	-66.57
COCCN(C)CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047333	0	54	0.0	-70.35	408.83	2.49	-67.86
COCC[N@H+](C)CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047333	1	54	0.0	-71.10	408.98	2.50	-68.60
COCC[N@@H+](C)CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047333	1	54	0.0	-71.10	408.98	2.50	-68.60
CC(CCC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030047338	0	56	0.0	-74.81	412.06	4.45	-70.36
CC[N@H+](CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030047360	0	54	0.0	-67.37	405.39	4.64	-62.73
CC1C[N@@H+]2CCN1C(C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030047370	0	57	0.0	-77.01	408.51	1.30	-75.71
CC1=NC(N)=CC=C1C=CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047396	0	54	0.0	-69.37	422.88	3.34	-66.03
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047396	1	54	0.0	-69.37	422.88	3.34	-66.03
O=C(C[N@@H+]1CC2CCC1C2)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047402	0	55	0.0	-68.27	405.64	4.77	-63.50
O=C(C[N@H+]1CC2CCC1C2)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047402	1	55	0.0	-68.27	405.64	4.77	-63.50
CC(C[NH+](C)C)C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047419	0	53	0.0	-65.12	394.08	3.78	-61.34
CCN1CCC1C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047459	0	51	0.0	-69.18	390.68	3.68	-65.50
CC[N@@H+]1CCC1C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047459	1	51	0.0	-69.25	389.98	3.67	-65.58
CC[N@H+]1CCC1C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047459	1	51	0.0	-69.25	389.98	3.67	-65.58
CC(C)[N@@H+]1CCCC(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030047469	0	60	0.0	-62.53	427.67	5.41	-57.12
CC(C)[N@H+]1CCCC(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030047469	1	60	0.0	-62.53	427.67	5.41	-57.12
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047480	0	59	0.0	-67.91	423.82	3.26	-64.65
C#CCN1CCCCC1C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047518	0	56	0.0	-66.49	424.25	5.44	-61.05
C#CC[N@H+]1CCCCC1C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047518	1	56	0.0	-67.43	413.09	4.99	-62.44
C#CC[N@@H+]1CCCCC1C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047518	1	56	0.0	-67.43	413.09	4.99	-62.44
CNC1=NC(C)=CC=C1C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047519	0	53	0.0	-63.88	410.97	3.26	-60.62
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047519	1	53	0.0	-63.88	410.97	3.26	-60.62
CCCC(C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030047529	0	56	0.0	-67.33	408.00	4.34	-62.99
CC(CC[NH+](C)C)C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047550	0	56	0.0	-70.53	415.91	4.34	-66.19
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047640	0	57	0.0	-66.33	420.68	4.64	-61.69
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047640	1	57	0.0	-66.33	420.68	4.64	-61.69
C[NH+](C)CCCCCC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047645	0	59	0.0	-70.73	445.50	5.65	-65.08
O=C(CC[NH+]1CCC(O)CC1)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047649	0	58	0.0	-74.79	433.84	1.76	-73.03
CCC[N@@H+]1CCCCC1C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047652	0	60	0.0	-65.26	436.41	5.58	-59.68
CCC[N@H+]1CCCCC1C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047652	1	60	0.0	-65.26	436.41	5.58	-59.68
CN1CCN(CC(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030047660	0	56	0.0	-68.36	417.67	2.17	-66.19
C[NH+]1CCN(CC(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030047660	1	56	0.0	-68.36	417.67	2.17	-66.19
CC1CN(C)CC(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030047744	0	55	0.0	-84.01	405.13	3.06	-80.95
CC1C[N@H+](C)CC(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030047744	1	55	0.0	-73.05	405.23	3.30	-69.75
CC1C[N@@H+](C)CC(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030047744	1	55	0.0	-73.05	405.23	3.30	-69.75
CCC1CCC[N@H+](CC(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030047774	0	60	0.0	-70.85	439.62	5.78	-65.07
CCC1CCC[N@@H+](CC(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030047774	1	60	0.0	-70.85	439.62	5.78	-65.07
O=C(CC1([NH+]2CCCC2)CC1)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047809	0	58	0.0	-66.80	424.28	5.48	-61.32
C[N@@H+]1CCCCC1C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047840	0	54	0.0	-65.99	399.58	4.24	-61.75
C[N@@H+]1CCC(=CC(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030047932	0	52	0.0	-72.17	396.87	4.21	-67.96
C[N@H+]1CCC(=CC(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030047932	1	52	0.0	-72.49	395.60	4.27	-68.22
O=C(CNC1=CC=[NH+]C=C1)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047937	0	50	0.0	-70.10	394.36	1.95	-68.15
CC[NH+]1CCN(CC(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030047983	0	59	0.0	-67.39	435.40	2.85	-64.54
O=C(C=C1C[NH+]2CCC1CC2)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047984	0	56	0.0	-63.56	414.47	5.10	-58.46
C[N@H+](CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300030048021	0	58	0.0	-65.41	429.38	1.97	-63.44
C[N@@H+](CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300030048021	1	58	0.0	-67.72	430.00	2.06	-65.66
C[N@@H+]1CCC[C@H]1C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048037	0	51	0.0	-66.55	381.62	3.52	-63.03
C[N@H+]1CCC[C@H]1C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048037	1	51	0.0	-68.77	377.87	3.20	-65.57
CCN1CCOCC1CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048062	0	58	0.0	-71.69	422.48	3.06	-68.63
CC[N@@H+]1CCOCC1CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048062	1	58	0.0	-74.37	426.50	3.20	-71.17
CC[N@H+]1CCOCC1CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048062	1	58	0.0	-74.37	426.50	3.20	-71.17
NC1=NC2=CC(C(=O)N3CCCCC3CCNC(=O)C3=CC(=O)[N-]O3)=CC=C2N1	REAL300030048129	0	51	0.0	-70.32	402.20	3.58	-66.74
NC1=[NH+]C2=CC(C(=O)N3CCCCC3CCNC(=O)C3=CC(=O)[N-]O3)=CC=C2N1	REAL300030048129	1	51	0.0	-70.32	402.20	3.58	-66.74
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030048158	0	54	0.0	-70.71	407.98	4.40	-66.31
C[NH+](C)C1CCC(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030048171	0	60	0.0	-64.94	427.65	5.11	-59.83
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030048173	0	60	0.0	-64.34	426.39	5.08	-59.26
C[N@@H+]1CC=CCC1CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048174	0	55	0.0	-63.38	404.82	4.73	-58.65
C[N@H+]1CC=CCC1CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048174	1	55	0.0	-63.38	404.82	4.73	-58.65
CC1=CC(C=CC(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)=CN=C1N	REAL300030048219	0	54	0.0	-73.45	423.08	3.65	-69.80
CC1=CC(C=CC(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)=C[NH+]=C1N	REAL300030048219	1	54	0.0	-73.45	423.08	3.65	-69.80
C[NH+](C)CCOCC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048230	0	54	0.0	-68.26	414.52	3.63	-64.63
CCCCC[N@H+](C)CCC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048236	0	62	0.0	-73.39	463.84	6.27	-67.12
CCCCC[N@@H+](C)CCC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048236	1	62	0.0	-73.39	463.84	6.27	-67.12
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030048246	0	58	0.0	-69.89	433.43	4.64	-65.25
[NH2+]=C1SC=CN1CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048263	0	47	0.0	-64.97	386.37	2.86	-62.11
C[C@@H](OCC[NH+](C)C)C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048321	0	57	0.0	-65.76	430.20	4.10	-61.66
O=C(CC[NH+]1CCCCCC1)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048351	0	60	0.0	-73.23	433.26	5.36	-67.87
O=C(C[NH+]1CCCCC1)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048355	0	54	0.0	-70.02	401.01	4.54	-65.48
C[N@@H+]1CCCC(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030048357	0	54	0.0	-70.59	399.93	4.08	-66.51
C[N@H+]1CCCC(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030048357	1	54	0.0	-70.77	401.58	4.11	-66.66
O=C(C[NH+]1CCC(CO)CC1)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048358	0	58	0.0	-71.86	432.66	1.84	-70.02
O=C(C[NH+]1CCCCCC1)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048359	0	57	0.0	-69.56	410.21	4.73	-64.83
CN1C=C[N+](CC(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030048364	0	49	0.0	-66.24	389.88	6.18	-60.06
C[NH+](C)CC1=CC=C(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030048377	1	54	0.0	-79.75	419.44	4.42	-75.33
O=C(C[NH+]1CCC(O)CC1)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048390	1	55	0.0	-74.37	412.01	1.17	-73.20
C[N@@H+](CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030048395	1	51	0.0	-67.67	388.05	4.09	-63.58
CC(C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300030048397	1	59	0.0	-69.03	433.79	2.51	-66.52
O=C(CC[N@@H+]1CCC(F)C1)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048399	1	54	0.0	-76.45	413.63	4.52	-71.93
CC(CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030048423	0	56	0.0	-75.53	415.56	4.72	-70.81
O=C(NCCC1CCCCN1C(=O)C1CC[N@@H+]2CCOCC12)C1=CC(=O)[N-]O1	REAL300030048438	0	56	0.0	-66.57	412.48	2.97	-63.60
O=C(NCCC1CCCCN1C(=O)C1CC[N@H+]2CCOCC12)C1=CC(=O)[N-]O1	REAL300030048438	1	56	0.0	-74.57	414.89	2.84	-71.73
CC1=[NH+]C=C2C=CC(C(=O)N3CCCCC3CCNC(=O)C3=CC(=O)[N-]O3)=CN21	REAL300030048443	0	52	0.0	-67.67	408.15	5.58	-62.09
CN1CCOCC1CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048457	0	55	0.0	-77.11	409.69	2.52	-74.59
C[N@@H+]1CCOCC1CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048457	1	55	0.0	-66.13	402.41	2.40	-63.73
C[N@H+]1CCOCC1CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048457	1	55	0.0	-77.11	409.69	2.52	-74.59
CC[NH+]1CCN(CC(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030048463	0	59	0.0	-67.39	435.40	2.85	-64.54
CC1=CC(N)=[NH+]C=C1C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048503	1	50	0.0	-71.63	390.91	1.90	-69.73
NC1=CC=C(CCC(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C=[NH+]1	REAL300030048506	0	53	0.0	-69.28	418.27	3.22	-66.06
CC1(O)CC[N@@H+](CC(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030048538	1	55	0.0	-68.71	414.94	1.06	-67.65
C[NH+]1CC(CC(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030048570	0	51	0.0	-70.40	390.56	3.54	-66.86
O=C(NCCC1CCCCN1C(=O)C1CC[N@@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300030048575	0	58	0.0	-68.13	423.58	5.11	-63.02
O=C(NCCC1CCCCN1C(=O)C1CC[N@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300030048575	1	58	0.0	-68.33	422.78	5.09	-63.24
C[NH+](C)CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048583	0	47	0.0	-70.41	358.64	2.67	-67.74
C[N@H+](CCO)CCC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048609	0	54	0.0	-71.19	409.69	0.74	-70.45
C[N@@H+](CCO)CCC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048609	1	54	0.0	-70.66	409.51	0.69	-69.97
C[C@@H](C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030048610	0	50	0.0	-68.04	373.43	2.99	-65.05
C[N@@H+]1CCCCC1CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048626	0	57	0.0	-73.25	418.47	4.89	-68.36
C[N@H+]1CCCCC1CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048626	1	57	0.0	-73.21	418.20	4.90	-68.31
CC1=C2C=C(C(=O)N3CCCCC3CCNC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030048643	1	52	0.0	-74.19	410.07	6.41	-67.78
CC(C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300030048644	0	54	0.0	-67.50	403.96	4.17	-63.33
CC1CCN1CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048647	0	51	0.0	-67.51	385.01	3.50	-64.01
CC1CC[N@@H+]1CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048647	1	51	0.0	-67.60	384.43	3.51	-64.09
CC1CC[N@H+]1CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048647	1	51	0.0	-67.51	385.01	3.50	-64.01
C[NH+](C)CC=CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048657	0	51	0.0	-73.91	395.14	3.93	-69.98
CC1(C)C[NH+](CC(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030048669	1	54	0.0	-70.55	409.05	4.26	-66.29
CC1=C(C)[NH+]=C(CCC(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)N1	REAL300030048686	1	55	0.0	-65.47	428.88	4.02	-61.45
CC1=C2C=C(C(=O)N3CCCCC3CCNC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030048696	1	52	0.0	-74.19	410.07	6.41	-67.78
C[NH+](C)CCSCC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048704	0	54	0.0	-75.40	425.54	4.69	-70.71
O=C(C[N@@H+]1CCCC1CO)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048727	1	55	0.0	-69.78	412.07	1.22	-68.56
CC[NH+](CC)CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048731	0	53	0.0	-68.32	389.80	3.76	-64.56
C[N@@H+](CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300030048741	1	55	0.0	-74.74	417.92	4.92	-69.82
O=C(C[NH+]1CCC1)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048743	1	48	0.0	-70.22	368.94	3.15	-67.07
CC[NH+](CC)CCC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048779	0	56	0.0	-70.88	412.08	4.36	-66.52
C[NH+](C)CC1=CNC(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030048830	0	55	0.0	-74.17	421.91	4.26	-69.91
CC(C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300030048843	0	58	0.0	-70.56	420.58	1.21	-69.35
O=C(NCCC1CCCCN1C(=O)C1CC2COCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300030048848	0	56	0.0	-72.12	415.11	2.90	-69.22
O=C(NCCC1CCCCN1C(=O)C1CC2COCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300030048848	1	56	0.0	-69.15	413.51	2.90	-66.25
CC(C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030048860	1	51	0.0	-67.67	384.11	3.50	-64.17
CCC(CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030048866	0	59	0.0	-76.72	433.31	5.33	-71.39
NC1=CC=C(C=CC(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C=[NH+]1	REAL300030048871	0	51	0.0	-74.47	404.92	2.91	-71.56
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048918	0	54	0.0	-67.23	387.90	3.80	-63.43
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048918	1	54	0.0	-65.32	397.01	4.18	-61.14
CC1CN2CC[N@@H+]1CC2C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048930	0	57	0.0	-74.96	407.86	1.23	-73.73
CC1CN2CC[N@H+]1CC2C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048930	1	57	0.0	-77.21	406.58	1.25	-75.96
C[NH+](C)CC(O)CC(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048950	0	54	0.0	-74.62	411.17	1.60	-73.02
C[NH+]1C2CCC1CC(C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030048953	0	58	0.0	-63.79	402.59	4.38	-59.41
C=CCC(C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030048985	0	54	0.0	-65.93	398.94	4.04	-61.89
O=C(NCCC1CCCCN1C(=O)C1CC2CCCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300030048992	0	58	0.0	-68.64	422.91	5.21	-63.43
O=C(NCCC1CCCCN1C(=O)C1CC2CCCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300030048992	1	58	0.0	-67.10	422.39	5.26	-61.84
C[NH+]1CCC(O)(CC(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030049001	0	58	0.0	-70.09	429.08	2.79	-67.30
CC1=C2C=C(C(=O)NCCC3CCCCN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030049074	1	52	0.0	-68.48	408.45	6.63	-61.85
C[NH+](C)CCSCC(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030049083	0	54	0.0	-72.16	422.28	4.36	-67.80
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CC2COCC[N@@H+]2C1	REAL300030049091	0	56	0.0	-65.07	414.28	2.79	-62.28
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1CC2COCC[N@H+]2C1	REAL300030049091	1	56	0.0	-67.16	414.74	2.91	-64.25
C[N@@H+]1CCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030049236	0	43	0.0	-75.94	342.63	2.39	-73.55
C[N@H+]1CCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030049236	1	43	0.0	-76.47	342.72	2.39	-74.08
C[N@@H+]1CCOC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030049260	1	44	0.0	-81.89	351.60	2.06	-79.83
C[N@H+]1CCOC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030049260	1	44	0.0	-72.48	356.44	2.21	-70.27
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030049462	1	50	0.0	-72.20	409.10	5.07	-67.13
CC(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCCCCC1	REAL300030049470	0	52	0.0	-64.85	393.71	4.28	-60.57
CC(C)[N@@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030049473	0	52	0.0	-70.94	396.33	4.38	-66.56
CC(C)[N@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030049473	1	52	0.0	-71.07	396.11	4.35	-66.72
CC(C)[N@@H+]1CCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030049509	0	49	0.0	-66.40	374.75	4.32	-62.08
CC(C)[N@H+]1CCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030049509	1	49	0.0	-63.53	380.14	3.89	-59.64
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC3CCCC[N@@H+]3C1)C2	REAL300030049539	0	50	0.0	-67.07	390.84	4.55	-62.52
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC3CCCC[N@H+]3C1)C2	REAL300030049539	1	50	0.0	-74.68	388.49	4.54	-70.14
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030049579	1	47	0.0	-72.52	389.28	4.63	-67.89
CC1=[NH+]C=CN1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030049641	1	41	0.0	-65.91	352.89	3.50	-62.41
CC(C[NH+]1CCOCC1)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030049643	0	50	0.0	-80.29	392.27	2.41	-77.88
O=C(CCC[NH+]1CCCCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030049666	0	52	0.0	-79.00	409.15	5.14	-73.86
CC(C)(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCCCC1	REAL300030049707	0	52	0.0	-65.55	387.84	4.79	-60.76
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC[N@@H+](C3CCCCC3)C1)C2	REAL300030049710	0	56	0.0	-78.54	429.06	5.81	-72.73
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC[N@H+](C3CCCCC3)C1)C2	REAL300030049710	1	56	0.0	-68.92	428.72	5.76	-63.16
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1C[NH+]3CCC1CC3)C2	REAL300030049728	0	47	0.0	-75.72	363.62	3.62	-72.10
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCCC3CCC[N@@H+]31)C2	REAL300030049795	0	50	0.0	-63.10	390.45	4.65	-58.45
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCCC3CCC[N@H+]31)C2	REAL300030049795	1	50	0.0	-72.53	376.85	4.14	-68.39
C[NH+](C)CCN1C=C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C=N1	REAL300030049798	0	49	0.0	-85.17	403.12	3.06	-82.11
C[NH+](C)CCN1C=CC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=N1	REAL300030049815	0	49	0.0	-90.50	406.24	3.45	-87.05
C[C@@H]1[C@H](C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300030049823	0	46	0.0	-67.70	359.95	2.84	-64.86
C[C@@H]1[C@H](C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300030049823	1	46	0.0	-66.67	366.28	3.12	-63.55
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030049827	1	50	0.0	-72.57	409.60	5.13	-67.44
CC[C@@H]1[C@@H](C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300030049830	0	49	0.0	-67.30	377.50	3.44	-63.86
CC[C@@H]1[C@@H](C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300030049830	1	49	0.0	-66.51	382.67	3.81	-62.70
CC[N@@H+]1CCOC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030049860	1	47	0.0	-77.19	376.48	2.90	-74.29
CC[N@H+]1CCOC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030049860	1	47	0.0	-70.66	374.18	2.87	-67.79
CC[NH+](CC)CC(F)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030049936	0	48	0.0	-65.66	385.82	3.84	-61.82
C[NH+](C)CC1=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)SC=C1	REAL300030049937	0	46	0.0	-65.00	384.98	4.19	-60.81
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=NN1	REAL300030049991	1	50	0.0	-73.92	401.74	2.62	-71.30
C[N@H+]1CCCC1C1=CC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=NN1	REAL300030049991	1	50	0.0	-75.35	400.09	2.51	-72.84
CC1CCC(C)[NH+]1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030050066	0	49	0.0	-73.59	380.81	3.92	-69.67
O=C(CCC[NH+]1CCCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030050077	0	49	0.0	-78.66	392.44	4.38	-74.28
C[NH+](C)CC1=CC=CC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300030050078	0	49	0.0	-72.26	397.49	4.92	-67.34
C#CC[NH+]1CCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030050088	0	48	0.0	-73.32	393.69	4.63	-68.69
O=C(CC[NH+]1CCCCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030050090	0	49	0.0	-78.96	387.65	4.35	-74.61
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030050094	0	49	0.0	-60.41	394.97	5.02	-55.39
CC[N@@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030050106	0	49	0.0	-73.19	371.53	3.73	-69.46
CC[N@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030050106	1	49	0.0	-72.71	382.71	4.10	-68.61
CC(C)C(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCCCC1	REAL300030050107	0	55	0.0	-73.72	410.31	5.47	-68.25
C[NH+](C)C(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=CC=C1	REAL300030050111	1	49	0.0	-74.28	393.80	5.20	-69.08
CC(C)C[N@@H+]1CCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030050138	0	52	0.0	-77.93	408.09	4.85	-73.08
CC(C)C[N@H+]1CCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030050138	1	52	0.0	-66.13	404.82	4.73	-61.40
C[NH+](C)C1(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCC1	REAL300030050142	0	46	0.0	-72.24	350.03	2.89	-69.35
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCC[N@@H+]1C1CCOCC1)C2	REAL300030050145	0	54	0.0	-66.28	414.41	3.40	-62.88
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCC[N@H+]1C1CCOCC1)C2	REAL300030050145	1	54	0.0	-78.80	406.77	3.84	-74.96
C[NH+](C)C(CN1C=CC=N1)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030050147	1	49	0.0	-65.63	396.34	3.09	-62.54
CC(C)[N@@H+]1CCCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030050154	0	52	0.0	-66.25	402.75	4.55	-61.70
CC(C)[N@H+]1CCCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030050154	1	52	0.0	-70.00	393.95	4.00	-66.00
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCC[N@@H+]1C1CCCC1)C2	REAL300030050155	0	53	0.0	-63.24	400.01	5.64	-57.60
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCC[N@H+]1C1CCCC1)C2	REAL300030050155	1	53	0.0	-67.21	399.82	5.65	-61.56
CC(C)[C@@H](C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030050185	0	48	0.0	-64.63	369.27	3.76	-60.87
C[N@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300030050258	0	46	0.0	-75.06	369.85	3.89	-71.17
C[N@@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300030050258	1	46	0.0	-65.40	369.60	3.88	-61.52
CC(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1C(C)CCC1C	REAL300030050363	0	52	0.0	-61.08	394.18	4.22	-56.86
CN(CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=[NH+]C=C1	REAL300030050448	0	48	0.0	-63.44	397.96	3.54	-59.90
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030050462	1	45	0.0	-63.13	369.24	3.61	-59.52
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030050462	1	45	0.0	-74.38	372.77	4.00	-70.38
C[N@@H+]1CCCC1CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030050474	0	49	0.0	-71.33	390.87	4.45	-66.88
C[N@H+]1CCCC1CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030050474	1	49	0.0	-81.29	387.31	4.24	-77.05
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C13CCC[NH+](CCC1)C3)C2	REAL300030050492	0	50	0.0	-70.98	373.61	3.69	-67.29
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCC3CCCC[N@@H+]31)C2	REAL300030050500	0	50	0.0	-62.61	389.52	4.76	-57.85
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCC3CCCC[N@H+]31)C2	REAL300030050500	1	50	0.0	-72.11	389.44	4.73	-67.38
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030050512	0	53	0.0	-78.25	399.68	2.64	-75.61
CC[NH+](CC)CC1=CC=C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030050529	0	52	0.0	-71.96	421.93	5.00	-66.96
O=C(CCCC[NH+]1CCCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030050534	0	52	0.0	-70.41	413.20	5.11	-65.30
C[N@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300030050537	1	49	0.0	-71.03	400.16	5.48	-65.55
C[N@@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300030050537	1	49	0.0	-82.14	400.35	5.50	-76.64
C[NH+]1CCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030050555	0	46	0.0	-73.23	365.76	3.35	-69.88
C[NH+](C)CC1=CC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=NO1	REAL300030050628	1	45	0.0	-78.63	379.55	2.95	-75.68
CC1=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=CC2=C[NH+]=CN21	REAL300030050630	0	44	0.0	-65.46	375.71	5.49	-59.97
C[N@@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030050689	0	46	0.0	-62.92	364.94	3.46	-59.46
C[N@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030050689	1	46	0.0	-73.27	364.94	3.46	-69.81
CC(C)C[N@@H+]1CCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030050726	0	52	0.0	-63.61	407.09	4.98	-58.63
CC(C)C[N@H+]1CCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030050726	1	52	0.0	-64.34	405.54	4.99	-59.35
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CN3C=[NH+]C=C3C=C1)C2	REAL300030050915	0	41	0.0	-70.07	348.85	4.92	-65.15
CC1=[NH+]C=CN1CCCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030050931	1	47	0.0	-75.77	394.65	4.81	-70.96
O=C(CCCC[NH+]1CCOCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030050935	1	53	0.0	-82.59	421.90	3.51	-79.08
C[NH+](C)CC1=CC=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=C1	REAL300030050941	0	49	0.0	-87.96	397.11	4.92	-83.04
O=C(CC[NH+]1CCOCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030050942	1	47	0.0	-82.47	378.92	1.93	-80.54
C[NH+](C)C(C)(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=CC=C1	REAL300030050964	0	52	0.0	-72.05	396.08	5.82	-66.23
CCC[NH+](CCC)CCCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030050972	0	57	0.0	-78.96	446.20	6.12	-72.84
CC[N@H+](C)C(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=CC=C1	REAL300030050973	0	52	0.0	-67.09	414.09	5.89	-61.20
CC[N@@H+](C)C(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=CC=C1	REAL300030050973	1	52	0.0	-61.57	416.88	6.01	-55.56
CC1=C[NH+]=CN1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030051000	1	41	0.0	-76.83	353.41	4.25	-72.58
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030051014	1	48	0.0	-65.24	395.06	5.96	-59.28
C[NH+](C)CC1(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCCCC1	REAL300030051062	0	55	0.0	-81.82	400.82	5.47	-76.35
C[NH+](C)CCC1=CC=CC=C1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030051063	0	52	0.0	-68.05	417.11	5.72	-62.33
C[N@H+](CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCCC1	REAL300030051070	0	55	0.0	-69.02	421.89	5.49	-63.53
C[N@@H+](CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCCC1	REAL300030051070	1	55	0.0	-69.80	421.90	5.51	-64.29
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C13CCC[NH+]1CCC3)C2	REAL300030051076	0	47	0.0	-71.91	364.00	3.52	-68.39
C[NH+](C)C1CCCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030051120	0	52	0.0	-68.83	399.97	4.52	-64.31
C[N@@H+]1CCC(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030051127	0	46	0.0	-81.12	370.08	3.50	-77.62
C[N@H+]1CCC(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030051127	1	46	0.0	-71.50	369.94	3.49	-68.01
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030051141	0	45	0.0	-86.71	369.72	2.21	-84.50
CCC(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030051147	0	45	0.0	-75.92	356.20	3.02	-72.90
C[NH+](C)C1(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300030051172	0	52	0.0	-69.30	387.45	4.31	-64.99
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC3=C[NH+]=CN3C=C1)C2	REAL300030051251	1	41	0.0	-84.55	349.20	4.98	-79.57
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=NN(C3=CC=[NH+]C=C3)C=C1)C2	REAL300030051300	1	44	0.0	-88.04	381.24	3.38	-84.66
C[NH+](C)CCCCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030051336	0	48	0.0	-71.39	388.85	4.04	-67.35
CC(C)C(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030051361	0	48	0.0	-75.90	368.95	3.60	-72.30
CCC[N@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030051363	0	48	0.0	-80.40	385.24	3.88	-76.52
CCC[N@@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030051363	1	48	0.0	-80.49	385.24	3.86	-76.63
CCC[N@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030051370	0	45	0.0	-67.58	362.71	3.31	-64.27
CCC[N@@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030051370	1	45	0.0	-77.50	362.88	3.32	-74.18
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C13CC[N@H+](C1)CCC3)C2	REAL300030051403	0	47	0.0	-68.47	359.25	2.84	-65.63
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C13CC[N@@H+](C1)CCC3)C2	REAL300030051403	1	47	0.0	-79.49	359.88	2.87	-76.62
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030051479	0	43	0.0	-75.96	342.65	2.39	-73.57
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030051479	1	43	0.0	-74.09	348.52	2.87	-71.22
CC1CC2CCC(C(=O)N3CC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C[N@@H+]2C1	REAL300030051510	0	53	0.0	-75.56	412.04	5.14	-70.42
CC1CC2CCC(C(=O)N3CC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C[N@H+]2C1	REAL300030051510	1	53	0.0	-76.70	412.55	5.10	-71.60
CCCCCC[N@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030051570	0	54	0.0	-78.68	427.37	5.66	-73.02
CCCCCC[N@@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030051570	1	54	0.0	-68.42	427.21	5.65	-62.77
CC[NH+](CC)C(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C(C)C	REAL300030051582	0	54	0.0	-61.31	401.23	4.72	-56.59
CC[NH+](CC)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030051595	0	45	0.0	-66.35	359.58	3.25	-63.10
CCC[N@@H+]1CCCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030051628	0	52	0.0	-64.38	398.62	4.91	-59.47
CCC[N@H+]1CCCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030051628	1	52	0.0	-67.51	404.91	4.70	-62.81
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCCC[N@@H+]1C1CCCC1)C2	REAL300030051641	0	56	0.0	-71.94	411.99	5.55	-66.39
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCCC[N@H+]1C1CCCC1)C2	REAL300030051641	1	56	0.0	-72.47	413.67	5.56	-66.91
CC(C)[N@@H+]1CCOC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030051654	0	50	0.0	-62.08	381.43	3.09	-58.99
CC(C)[N@H+]1CCOC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030051654	1	50	0.0	-71.67	385.97	3.20	-68.47
CC1CC[NH+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030051698	0	49	0.0	-77.91	386.60	4.39	-73.52
O=C(C1=CN(C2=CC=[NH+]C=C2)N=C1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030051732	1	44	0.0	-78.50	378.01	3.02	-75.48
C[NH+]1CCC(OCC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030051742	0	50	0.0	-84.79	403.56	4.05	-80.74
C[NH+](C)CC1(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030051762	0	46	0.0	-86.56	363.12	3.44	-83.12
CC1=[NH+]C=C2CCC(C(=O)N3CC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)CN21	REAL300030051763	1	48	0.0	-75.41	393.64	4.53	-70.88
CC(C)[NH+]1CCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030051875	0	52	0.0	-70.29	400.06	4.54	-65.75
C[NH+]1CCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030051907	0	46	0.0	-73.23	365.76	3.35	-69.88
CC(C)[C@H](C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030051930	0	48	0.0	-66.63	366.22	3.37	-63.26
CCC(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](CC)CC	REAL300030051970	0	51	0.0	-61.95	386.21	3.92	-58.03
CC[N@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030052074	0	45	0.0	-68.99	363.57	3.12	-65.87
CC[N@@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030052074	1	45	0.0	-69.26	363.60	3.11	-66.15
CC1CCC[N@@H+]1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030052163	0	46	0.0	-64.82	368.77	3.68	-61.14
CC1CCC[N@H+]1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030052163	1	46	0.0	-74.70	368.90	3.66	-71.04
CC1CC[N@H+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030052166	0	46	0.0	-66.07	369.74	3.54	-62.53
CC1CC[N@@H+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030052166	1	46	0.0	-76.06	368.88	3.57	-72.49
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030052167	0	52	0.0	-72.48	403.72	4.10	-68.38
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030052167	1	52	0.0	-62.00	404.18	4.14	-57.86
CC1=[NH+]C=C2CC(C(=O)N3CC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)CCN21	REAL300030052169	1	48	0.0	-66.60	390.27	4.46	-62.14
C[NH+](C)CCC1=CC=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=C1	REAL300030052171	0	52	0.0	-88.17	419.61	5.76	-82.41
CC1(C)CC[N@H+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030052173	0	49	0.0	-66.30	388.34	4.13	-62.17
CC1(C)CC[N@@H+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030052173	1	49	0.0	-76.17	388.52	4.14	-72.03
C[N@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300030052174	0	51	0.0	-77.09	393.26	4.40	-72.69
C[N@@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300030052174	1	51	0.0	-66.52	393.26	4.46	-62.06
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030052175	0	52	0.0	-71.41	422.62	6.34	-65.07
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030052175	1	52	0.0	-81.09	422.77	6.35	-74.74
CC[C@@H](C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030052187	0	45	0.0	-64.40	351.77	2.81	-61.59
CC(COCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCC1	REAL300030052195	0	53	0.0	-75.96	422.23	4.71	-71.25
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC[NH+](CC3CC3)CC1)C2	REAL300030052312	0	53	0.0	-69.08	414.45	5.58	-63.50
C[N@@H+]1C[C@H](C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300030052375	0	53	0.0	-90.84	427.44	6.15	-84.69
C[N@H+]1C[C@H](C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300030052375	1	53	0.0	-85.78	424.95	6.13	-79.65
C[NH+]1CCC(O)(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030052487	0	50	0.0	-79.16	394.05	2.25	-76.91
COCC[N@@H+]1CCCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030052496	0	53	0.0	-67.56	413.97	3.85	-63.71
COCC[N@H+]1CCCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030052496	1	53	0.0	-75.82	421.28	3.29	-72.53
O=C(C[NH+]1CCC(CO)CC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030052509	0	50	0.0	-80.66	397.05	1.08	-79.58
O=C(C[NH+]1CCCCCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030052513	0	49	0.0	-76.46	374.61	3.95	-72.51
CN1C=C[N+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030052518	0	41	0.0	-66.90	354.72	5.41	-61.49
C[N@@H+]1CCCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030052531	0	46	0.0	-64.49	359.26	3.48	-61.01
C[N@H+]1CCCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030052531	1	46	0.0	-71.22	359.04	3.47	-67.75
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCC[N@@H+]1C1CC1)C2	REAL300030052536	0	47	0.0	-62.41	375.41	3.84	-58.57
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCC[N@H+]1C1CC1)C2	REAL300030052536	1	47	0.0	-66.68	373.25	3.71	-62.97
CC(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCC1	REAL300030052577	1	43	0.0	-74.44	348.92	2.70	-71.74
CCC(CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300030052589	0	51	0.0	-84.06	399.37	4.53	-79.53
C[NH+](C)CC(C)(C)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030052598	0	48	0.0	-69.91	365.66	3.20	-66.71
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C13CC(C1)C[N@@H+]3C1CC1)C2	REAL300030052622	0	48	0.0	-78.00	382.76	4.33	-73.67
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C13CC(C1)C[N@H+]3C1CC1)C2	REAL300030052622	1	48	0.0	-72.12	378.27	4.06	-68.06
O=C(C[NH+]1CCC(O)CC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030052650	1	47	0.0	-82.28	376.84	0.42	-81.86
C[N@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030052652	0	43	0.0	-65.15	352.75	3.31	-61.84
C[N@@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030052652	1	43	0.0	-74.92	353.07	3.31	-71.61
CC(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)N1CC[NH+](C)CC1	REAL300030052653	1	51	0.0	-70.33	393.79	1.60	-68.73
C[NH+]1CC(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030052689	0	43	0.0	-79.12	354.93	2.73	-76.39
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC[N@@H+]1C1CCCC1)C2	REAL300030052693	0	50	0.0	-65.86	395.90	4.83	-61.03
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC[N@H+]1C1CCCC1)C2	REAL300030052693	1	50	0.0	-67.41	394.12	4.65	-62.76
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030052702	0	49	0.0	-75.77	363.67	2.97	-72.80
CC(C)(C)[N@H+]1CCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030052702	1	49	0.0	-74.21	367.69	2.98	-71.23
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCN(C3=CC=[NH+]C=C3)C1)C2	REAL300030052715	0	49	0.0	-70.84	397.48	2.30	-68.54
C[C@@H](C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030052719	0	42	0.0	-64.74	341.06	2.26	-62.48
CCC1CCC[N@H+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030052778	0	52	0.0	-65.38	397.14	4.53	-60.85
CCC1CCC[N@@H+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030052778	1	52	0.0	-77.48	397.50	4.97	-72.51
C[NH+](C)CC1=CC=C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300030052788	0	47	0.0	-90.45	386.17	3.05	-87.40
C[NH+]1C2CCC1CC(CC(=O)N1CC3(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030052805	0	53	0.0	-79.83	389.72	4.35	-75.48
C[NH+](C)C(CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300030052812	0	52	0.0	-83.86	413.57	5.91	-77.95
[NH2+]=C1SC=CN1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030052860	0	39	0.0	-65.22	350.56	2.08	-63.14
C[N@H+](CCO)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030052873	0	46	0.0	-79.28	374.09	-0.09	-79.37
C[N@@H+](CCO)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030052873	1	46	0.0	-78.88	374.04	-0.08	-78.96
C[C@@H](C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030052874	0	42	0.0	-64.74	341.06	2.26	-62.48
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030052879	0	46	0.0	-66.81	352.04	3.02	-63.79
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030052879	1	46	0.0	-73.23	364.97	3.47	-69.76
CC1CN2CC[N@@H+]1CC2C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030052890	0	49	0.0	-74.91	374.77	0.70	-74.21
CC1CN2CC[N@H+]1CC2C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030052890	1	49	0.0	-83.02	373.29	0.69	-82.33
COC1C[N@@H+]2CCCC2(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030052944	0	51	0.0	-66.63	398.33	2.35	-64.28
COC1C[N@H+]2CCCC2(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030052944	1	51	0.0	-67.68	391.00	2.40	-65.28
O=C(CC1=CC2=C[NH+]=CN2C=C1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030052962	0	44	0.0	-76.24	378.03	6.09	-70.15
C[N@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300030052999	0	47	0.0	-72.05	384.30	4.12	-67.93
C[N@@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300030052999	1	47	0.0	-71.76	382.82	4.13	-67.63
O=C(C[NH+]1CCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030053000	1	40	0.0	-77.00	333.56	2.36	-74.64
C[NH+](C)CC1=CC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC=N1	REAL300030053044	1	48	0.0	-71.54	393.59	3.09	-68.45
C[N@@H+]1CCC(=CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030053046	0	44	0.0	-72.33	362.20	3.42	-68.91
C[N@H+]1CCC(=CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030053046	1	44	0.0	-81.02	361.17	3.52	-77.50
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1C[NH+](C3CCCCC3)C1)C2	REAL300030053077	0	53	0.0	-66.12	415.47	5.30	-60.82
C[NH+](C)CCOCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030053098	0	46	0.0	-77.62	379.52	3.01	-74.61
CCCCC[N@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030053106	0	54	0.0	-81.34	428.24	5.44	-75.90
CCCCC[N@@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030053106	1	54	0.0	-70.73	428.07	5.43	-65.30
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300030053118	0	50	0.0	-70.54	400.75	3.86	-66.68
C=CCC(C)(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030053130	0	49	0.0	-69.94	369.71	3.41	-66.53
C[S+](C)CCC(O)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030053135	0	45	0.0	-64.61	384.15	1.41	-63.20
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030053178	0	47	0.0	-81.27	367.96	-0.26	-81.53
CN1CC[N@H+](C)CC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030053193	0	51	0.0	-76.46	387.27	1.17	-75.29
CN1CC[N@@H+](C)CC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030053193	1	51	0.0	-76.46	387.27	1.17	-75.29
CC(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[N@@H+]1CCCC(O)C1	REAL300030053194	0	50	0.0	-66.40	394.56	0.78	-65.62
C[N@@H+]1CCCC(O)(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030053223	0	50	0.0	-67.43	393.80	2.28	-65.15
C[N@H+]1CCCC(O)(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030053223	1	50	0.0	-67.43	393.80	2.28	-65.15
CC1CN(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030053227	0	43	0.0	-77.34	354.83	3.00	-74.34
CC1C[NH+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030053227	1	43	0.0	-77.34	354.83	3.00	-74.34
CN(CCO)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030053259	0	43	0.0	-67.41	351.57	-0.66	-68.07
C[N@H+](CCO)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030053259	1	43	0.0	-77.90	351.52	-0.67	-78.57
C[N@@H+](CCO)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030053259	1	43	0.0	-77.90	351.52	-0.67	-78.57
C[NH+]1C2CCC1CC(=CC(=O)N1CC3(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030053292	0	51	0.0	-76.43	396.68	4.81	-71.62
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1C[N@@H+]3CCN1CCC3)C2	REAL300030053297	0	49	0.0	-67.59	371.55	1.15	-66.44
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1C[N@H+]3CCN1CCC3)C2	REAL300030053297	1	49	0.0	-67.59	371.55	1.15	-66.44
CC[N@@H+]1CCCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030053308	0	49	0.0	-70.22	377.11	4.15	-66.07
CC[N@H+]1CCCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030053308	1	49	0.0	-70.22	377.11	4.15	-66.07
CC(CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300030053310	0	48	0.0	-79.91	380.67	3.92	-75.99
CC[N@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030053328	0	42	0.0	-77.23	341.38	2.58	-74.65
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C13CCC[N@@H+]1CCCC3)C2	REAL300030053360	0	50	0.0	-72.04	374.90	3.91	-68.13
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C13CCC[N@H+]1CCCC3)C2	REAL300030053360	1	50	0.0	-72.04	374.90	3.91	-68.13
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C13CCC[N@@H+]1CC=CC3)C2	REAL300030053370	0	48	0.0	-62.67	368.88	3.84	-58.83
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C13CCC[N@H+]1CC=CC3)C2	REAL300030053370	1	48	0.0	-62.67	368.88	3.84	-58.83
CC[N@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030053403	0	46	0.0	-63.77	368.27	3.65	-60.12
CC[NH+](CC)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030053428	0	48	0.0	-78.70	381.59	3.82	-74.88
CC1(C)CN(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030053469	0	46	0.0	-77.90	374.25	3.52	-74.38
CC1(C)C[NH+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030053469	1	46	0.0	-77.90	374.25	3.52	-74.38
O=C(CCCC[NH+]1CCCCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030053475	0	55	0.0	-79.29	430.64	5.92	-73.37
CC1(O)CC[N@H+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030053513	0	47	0.0	-66.95	379.56	0.29	-66.66
C[NH+](C)CC=CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030053526	0	43	0.0	-82.88	360.62	3.14	-79.74
CC(OCC[NH+](C)C)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030053557	0	49	0.0	-70.25	394.76	3.53	-66.72
C[NH+](C)CCOCCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030053570	0	49	0.0	-68.23	400.31	2.70	-65.53
COCCN(C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030053571	0	46	0.0	-77.67	373.77	1.75	-75.92
COCC[N@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030053571	1	46	0.0	-67.45	373.82	1.74	-65.71
COCC[N@@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030053571	1	46	0.0	-67.45	373.82	1.74	-65.71
COCCCC[N@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030053609	0	55	0.0	-84.29	440.41	3.72	-80.57
COCCCC[N@@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030053609	1	55	0.0	-84.29	440.41	3.72	-80.57
C[NH+](C)C1(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCCC1	REAL300030053637	0	49	0.0	-79.02	362.19	3.59	-75.43
CC(CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030053640	0	48	0.0	-77.94	380.93	3.65	-74.29
CCN1CCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030053651	0	43	0.0	-76.09	344.98	2.50	-73.59
CC[N@@H+]1CCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030053651	1	43	0.0	-77.05	355.21	2.87	-74.18
CC[N@H+]1CCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030053651	1	43	0.0	-77.05	355.21	2.87	-74.18
CC(C)[N@@H+]1CCCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030053667	0	52	0.0	-65.98	400.04	4.48	-61.50
CC(C)[N@H+]1CCCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030053667	1	52	0.0	-65.98	400.04	4.48	-61.50
CN1C=CN=C1N1CCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030053668	0	50	0.0	-70.25	402.47	4.24	-66.01
CN1C=C[NH+]=C1N1CCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030053668	1	50	0.0	-70.25	402.47	4.24	-66.01
CC(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300030053675	0	52	0.0	-77.76	418.35	5.90	-71.86
O=C(C[N@H+]1CCCC1CO)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030053684	0	47	0.0	-76.36	373.28	-0.04	-76.40
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC3CCCC[N@@H+]3C1)C2	REAL300030053717	0	50	0.0	-74.68	388.49	4.54	-70.14
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC3CCCC[N@H+]3C1)C2	REAL300030053717	1	50	0.0	-74.68	388.49	4.54	-70.14
C[NH+]1CCC(C)(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030053728	0	49	0.0	-79.84	373.70	3.54	-76.30
C=CCC(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030053778	0	46	0.0	-67.43	369.12	3.53	-63.90
C[NH+](C)C12CCC(C(=O)N3CC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)(CC1)CC2	REAL300030053791	0	56	0.0	-85.46	406.16	4.64	-80.82
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030053799	0	49	0.0	-66.51	381.49	3.73	-62.78
C[N@H+]1CC(C)(C)CC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030053799	1	49	0.0	-66.51	381.49	3.73	-62.78
C[NH+](C)CCCCCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030053804	0	51	0.0	-79.64	410.50	4.83	-74.81
CC1C[N@@H+](C2CCC2C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCO1	REAL300030053837	0	54	0.0	-66.61	427.19	3.75	-62.86
CC1C[N@@H+]2CCN1C(C(=O)N1CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300030053865	0	49	0.0	-86.51	373.24	0.76	-85.75
CC1C[N@H+]2CCN1C(C(=O)N1CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300030053865	1	49	0.0	-69.47	366.70	1.87	-67.60
CCCC(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030053867	0	48	0.0	-64.75	375.45	3.70	-61.05
C[NH+](C)C(C)(C)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030053873	0	45	0.0	-69.15	346.02	3.04	-66.11
CC[NH+](CC)CCSCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030053922	0	52	0.0	-81.78	421.78	4.93	-76.85
C[N@@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030053934	0	46	0.0	-62.92	364.94	3.46	-59.46
C[N@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030053934	1	46	0.0	-73.27	364.94	3.46	-69.81
C[N@H+]1CC=C(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030053996	0	47	0.0	-69.77	382.61	4.22	-65.55
C[N@@H+]1CC=C(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030053996	1	47	0.0	-68.63	382.63	4.22	-64.41
O=C(CC1([NH+]2CCCC2)CC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030054009	0	50	0.0	-74.69	389.36	4.63	-70.06
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1(C[NH+]3CCCC3)CCCC1)C2	REAL300030054036	0	56	0.0	-79.65	418.06	5.51	-74.14
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030054075	0	55	0.0	-68.67	402.31	4.04	-64.63
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030054075	1	55	0.0	-68.67	402.31	4.04	-64.63
CN(C)CC1=CC=C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030054080	0	46	0.0	-74.89	385.05	3.53	-71.36
C[NH+](C)CC1=CC=C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030054080	1	46	0.0	-74.89	385.05	3.53	-71.36
O=C(C=CC[NH+]1CCCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030054107	0	47	0.0	-81.35	384.29	4.22	-77.13
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC[NH+](C3CC3)CC1)C2	REAL300030054139	0	50	0.0	-79.87	398.18	4.87	-75.00
C[N@@H+]1CC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(C(F)(F)F)C1	REAL300030054164	0	46	0.0	-85.65	375.09	3.65	-82.00
C[N@H+]1CC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(C(F)(F)F)C1	REAL300030054164	1	46	0.0	-85.65	375.09	3.65	-82.00
O=C(CC[NH+]1CCCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030054170	0	46	0.0	-79.10	371.98	3.64	-75.46
CN1CC(N2CC(C(=O)N3CC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)CC2=O)C1	REAL300030054181	0	51	0.0	-76.22	408.55	2.58	-73.64
C[NH+]1CC(N2CC(C(=O)N3CC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)CC2=O)C1	REAL300030054181	1	51	0.0	-76.22	408.55	2.58	-73.64
C[N@@H+]1CC2CC1(C(=O)N1CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300030054243	0	44	0.0	-81.43	352.13	2.99	-78.44
CC1=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=NN1CC[NH+](C)C	REAL300030054259	0	52	0.0	-85.21	418.94	3.54	-81.67
O=C(C[N@@H+]1CC2CCC1C2)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030054262	0	47	0.0	-74.12	367.41	3.77	-70.35
O=C(C[N@H+]1CC2CCC1C2)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030054262	1	47	0.0	-74.12	367.41	3.77	-70.35
CC(C)[NH+]1CCC(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030054279	0	55	0.0	-68.51	417.33	5.27	-63.24
O=C(C=C1C[NH+]2CCC1CC2)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030054334	0	48	0.0	-72.52	379.53	4.27	-68.25
O=C(CN1CC2C=CC1C2)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030054347	0	45	0.0	-75.69	363.06	3.90	-71.79
O=C(C[N@@H+]1CC2C=CC1C2)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030054347	1	45	0.0	-64.88	362.70	3.82	-61.06
O=C(C[N@H+]1CC2C=CC1C2)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030054347	1	45	0.0	-64.88	362.70	3.82	-61.06
C[NH+](C)CC(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=CC=C1	REAL300030054390	0	52	0.0	-72.67	418.13	5.74	-66.93
CC(C[NH+](C)C)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030054424	0	45	0.0	-68.88	359.54	2.95	-65.93
C[N@@H+]1CCCCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030054536	0	49	0.0	-69.74	375.40	3.95	-65.79
C[N@H+]1CCCCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030054536	1	49	0.0	-69.74	375.40	3.95	-65.79
CC1=C2C=C(C(=O)N3CC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C=CN2C=N1	REAL300030054559	0	44	0.0	-83.60	371.56	5.52	-78.08
CC1=C2C=C(C(=O)N3CC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C=CN2C=[NH+]1	REAL300030054559	1	44	0.0	-83.60	371.56	5.52	-78.08
CC1CCN1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030054564	0	43	0.0	-75.99	354.85	2.99	-73.00
CC1CC[N@@H+]1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030054564	1	43	0.0	-65.68	354.79	2.94	-62.74
CC1CC[N@H+]1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030054564	1	43	0.0	-65.68	354.79	2.94	-62.74
C[NH+](C)CC(O)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030054569	0	46	0.0	-83.52	376.12	0.96	-82.56
CC1CN(C)CC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300030054610	0	47	0.0	-92.36	370.35	2.53	-89.83
CC1C[N@H+](C)CC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300030054610	1	47	0.0	-78.69	373.12	2.96	-75.73
CC1C[N@@H+](C)CC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300030054610	1	47	0.0	-78.69	373.12	2.96	-75.73
O=C(CC[NH+]1CCC(O)CC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030054624	0	50	0.0	-82.59	398.74	1.00	-81.59
CCC[N@@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030054627	0	52	0.0	-73.68	391.23	4.44	-69.24
CCC[N@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030054627	1	52	0.0	-73.68	391.23	4.44	-69.24
CC[NH+]1CCN(CCC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030054631	0	54	0.0	-80.47	421.09	2.45	-78.02
CCN1CC[NH+](CCC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030054631	1	54	0.0	-80.47	421.09	2.45	-78.02
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)[C@@H]1CCC[N@@H+]3CCCC[C@H]13)C2	REAL300030054634	0	53	0.0	-69.87	398.67	5.22	-64.65
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)[C@@H]1CCC[N@H+]3CCCC[C@H]13)C2	REAL300030054634	1	53	0.0	-69.87	398.67	5.22	-64.65
CC(C)C[NH+]1CCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030054688	0	55	0.0	-71.58	424.68	5.53	-66.05
C[NH+](C)C1CCN(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030054721	0	54	0.0	-77.30	416.86	2.58	-74.72
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030054746	0	46	0.0	-79.13	373.37	3.62	-75.51
CC(CC[NH+](C)C)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030054756	0	48	0.0	-70.08	381.20	3.56	-66.52
C[N@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300030054794	0	50	0.0	-65.85	394.12	1.30	-64.55
C#CCN1CCCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030054804	0	48	0.0	-63.95	379.12	4.27	-59.68
C#CC[N@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030054804	1	48	0.0	-61.97	390.21	4.64	-57.33
C#CC[N@@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030054804	1	48	0.0	-61.97	390.21	4.64	-57.33
CN1CCN(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030054812	0	48	0.0	-77.90	382.94	1.40	-76.50
C[NH+]1CCN(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030054812	1	48	0.0	-77.90	382.94	1.40	-76.50
NC(=[NH2+])SCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030054858	0	37	0.0	-69.57	332.01	-1.23	-70.80
CC[N@@H+]1CCOCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030054912	0	50	0.0	-69.91	391.31	2.38	-67.53
C[NH+](C)CCC1(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCCC1	REAL300030054934	0	55	0.0	-84.49	420.72	5.11	-79.38
CC1CCCC(C)[NH+]1CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030054936	0	55	0.0	-76.27	413.86	4.99	-71.28
C[NH+](C)C1CCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030054939	0	52	0.0	-69.09	392.89	4.36	-64.73
C[NH+](C)CCC1(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030054940	0	49	0.0	-85.00	397.63	4.41	-80.59
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030054944	0	52	0.0	-71.22	393.45	4.37	-66.85
C[N@@H+]1CC=CCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030054945	0	47	0.0	-69.07	374.82	3.93	-65.14
C[N@H+]1CC=CCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030054945	1	47	0.0	-69.07	374.82	3.93	-65.14
C[C@@H](OCC[NH+](C)C)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030054982	0	49	0.0	-70.34	394.75	3.51	-66.83
C[NH+]1C2CCC1CC(C(=O)N1CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300030055026	0	50	0.0	-69.38	383.92	4.00	-65.38
C[NH+]1CCC(O)(C2(C(=O)N3CC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)CC2)CC1	REAL300030055154	0	54	0.0	-82.15	414.79	2.71	-79.44
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1(CC[NH+]3CCCCC3)CC1)C2	REAL300030055183	0	56	0.0	-81.16	437.48	6.17	-74.99
CC(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCSCC1	REAL300030055209	1	47	0.0	-68.87	382.37	3.84	-65.03
CCC1C[NH+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030055212	1	46	0.0	-78.19	375.96	3.73	-74.46
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1C[NH+](C3CCOCC3)C1)C2	REAL300030055214	0	51	0.0	-84.24	406.90	2.86	-81.38
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1([NH+]3CCCC3)CCC1)C2	REAL300030055216	0	50	0.0	-61.60	377.93	4.24	-57.36
C[N@H+]1CCC[C@H]1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030055228	1	43	0.0	-64.23	342.60	2.38	-61.85
O=C(CC[N@@H+]1CCC(F)C1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030055238	1	46	0.0	-70.24	377.80	3.69	-66.55
COC1C[N@@H+](C)C(C)(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030055249	1	50	0.0	-65.90	390.79	2.05	-63.85
O=C(CC[NH+]1CCCCCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030055263	0	52	0.0	-69.46	397.69	4.56	-64.90
O=C(C[NH+]1CCCCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030055267	0	46	0.0	-77.01	365.36	3.77	-73.24
CC1C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300030055277	0	46	0.0	-70.36	364.86	3.43	-66.93
CC1C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300030055277	1	46	0.0	-70.16	362.44	2.95	-67.21
C[N@@H+]1CCCCC1CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030055280	0	52	0.0	-71.61	397.45	4.64	-66.97
C[N@H+]1CCCCC1CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030055280	1	52	0.0	-76.25	404.83	4.82	-71.43
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC[N@@H+]3CCOCC13)C2	REAL300030055325	0	48	0.0	-72.46	382.07	2.11	-70.35
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC[N@H+]3CCOCC13)C2	REAL300030055325	1	48	0.0	-70.05	380.21	2.11	-67.94
CC1=[NH+]C=C2C=CC(C(=O)N3CC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)=CN21	REAL300030055334	0	44	0.0	-66.22	370.28	4.71	-61.51
CN1CCOCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030055356	0	47	0.0	-84.89	374.26	1.71	-83.18
C[N@@H+]1CCOCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030055356	1	47	0.0	-72.84	374.26	1.69	-71.15
C[N@H+]1CCOCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030055356	1	47	0.0	-84.89	374.26	1.71	-83.18
CC1=C(C)[NH+]=C(CCC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300030055370	1	47	0.0	-73.19	393.88	3.20	-69.99
C[NH+](C)CCC1=CC=CC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300030055383	0	52	0.0	-73.97	420.03	5.76	-68.21
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCN1CC1=CC=CC=C1)C2	REAL300030055388	0	50	0.0	-69.55	415.04	5.89	-63.66
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC[N@@H+]1CC1=CC=CC=C1)C2	REAL300030055388	1	50	0.0	-69.91	415.03	5.88	-64.03
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC[N@H+]1CC1=CC=CC=C1)C2	REAL300030055388	1	50	0.0	-69.55	415.04	5.89	-63.66
CC(C)C[N@@H+]1CCCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030055392	0	55	0.0	-64.78	416.02	5.57	-59.21
CC(C)C[N@H+]1CCCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030055392	1	55	0.0	-68.01	422.57	5.39	-62.62
C[N@H+]1CCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030055551	1	43	0.0	-76.47	342.72	2.39	-74.08
CN1CCOC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030055576	0	44	0.0	-72.48	356.44	2.21	-70.27
C[N@@H+]1CCOC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030055576	1	44	0.0	-81.89	351.60	2.06	-79.83
C[N@H+]1CCOC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030055576	1	44	0.0	-72.48	356.44	2.21	-70.27
CC1=[NH+]C=CN1CCCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030055749	1	47	0.0	-75.77	394.65	4.81	-70.96
O=C(CCCC[NH+]1CCOCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030055753	1	53	0.0	-82.59	421.90	3.51	-79.08
C[NH+](C)CC1=CC=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=C1	REAL300030055759	0	49	0.0	-87.96	397.11	4.92	-83.04
O=C(CC[NH+]1CCOCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030055760	1	47	0.0	-82.47	378.92	1.93	-80.54
C[NH+](C)C(C)(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=CC=C1	REAL300030055782	0	52	0.0	-72.05	396.08	5.82	-66.23
CCC[NH+](CCC)CCCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030055790	0	57	0.0	-78.96	446.20	6.12	-72.84
CC[N@@H+](C)C(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=CC=C1	REAL300030055791	1	52	0.0	-61.57	416.88	6.01	-55.56
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C13CCC[NH+]1CCC3)C2	REAL300030055812	0	47	0.0	-71.91	364.00	3.52	-68.39
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC3=C[NH+]=CN3C=C1)C2	REAL300030055832	1	41	0.0	-84.55	349.20	4.98	-79.57
C[NH+](C)C1CCCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030055922	0	52	0.0	-68.83	399.97	4.52	-64.31
C[N@@H+]1CCC(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030055929	0	46	0.0	-81.12	370.08	3.50	-77.62
C[N@H+]1CCC(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030055929	1	46	0.0	-71.50	369.94	3.49	-68.01
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030055943	0	45	0.0	-86.71	369.72	2.21	-84.50
CCC(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030055949	0	45	0.0	-75.92	356.20	3.02	-72.90
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=NN(C3=CC=[NH+]C=C3)C=C1)C2	REAL300030055959	1	44	0.0	-88.04	381.24	3.38	-84.66
CC1CC2CCC(C(=O)N3CC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C[N@@H+]2C1	REAL300030056016	0	53	0.0	-75.56	412.04	5.14	-70.42
CC1CC2CCC(C(=O)N3CC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C[N@H+]2C1	REAL300030056016	1	53	0.0	-76.70	412.55	5.10	-71.60
C[NH+](C)CCCCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030056056	0	48	0.0	-71.39	388.85	4.04	-67.35
CC(C)C(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030056083	0	48	0.0	-75.90	368.95	3.60	-72.30
CCC[N@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030056085	0	48	0.0	-80.40	385.24	3.88	-76.52
CCC[N@@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030056085	1	48	0.0	-80.49	385.24	3.86	-76.63
CCC[N@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030056092	0	45	0.0	-67.58	362.71	3.31	-64.27
CCC[N@@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030056092	1	45	0.0	-77.50	362.88	3.32	-74.18
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C13CC[N@H+](C1)CCC3)C2	REAL300030056125	0	47	0.0	-68.47	359.25	2.84	-65.63
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C13CC[N@@H+](C1)CCC3)C2	REAL300030056125	1	47	0.0	-79.49	359.88	2.87	-76.62
CCCCCC[N@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030056181	0	54	0.0	-78.68	427.37	5.66	-73.02
CCCCCC[N@@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030056181	1	54	0.0	-68.42	427.21	5.65	-62.77
CC[NH+](CC)C(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C(C)C	REAL300030056193	0	54	0.0	-61.31	401.23	4.72	-56.59
CC1CC[NH+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030056241	0	49	0.0	-77.91	386.60	4.39	-73.52
O=C(C1=CN(C2=CC=[NH+]C=C2)N=C1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030056275	1	44	0.0	-78.50	378.01	3.02	-75.48
C[NH+]1CCC(OCC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030056285	0	50	0.0	-84.79	403.56	4.05	-80.74
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC3CCCC[N@@H+]3C1)C2	REAL300030056361	0	50	0.0	-67.07	390.84	4.55	-62.52
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC3CCCC[N@H+]3C1)C2	REAL300030056361	1	50	0.0	-74.68	388.49	4.54	-70.14
C[NH+](C)CC1(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030056382	0	46	0.0	-86.56	363.12	3.44	-83.12
CC1=[NH+]C=C2CCC(C(=O)N3CC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)CN21	REAL300030056383	1	48	0.0	-75.41	393.64	4.53	-70.88
CC(C)[NH+]1CCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030056396	0	52	0.0	-70.29	400.06	4.54	-65.75
CC[N@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030056436	0	45	0.0	-68.99	363.57	3.12	-65.87
CC[N@@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030056436	1	45	0.0	-69.26	363.60	3.11	-66.15
CC(C)(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCCCC1	REAL300030056479	0	52	0.0	-65.55	387.84	4.79	-60.76
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC[N@@H+](C3CCCCC3)C1)C2	REAL300030056482	0	56	0.0	-78.54	429.06	5.81	-72.73
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC[N@H+](C3CCCCC3)C1)C2	REAL300030056482	1	56	0.0	-68.92	428.72	5.76	-63.16
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1C[NH+]3CCC1CC3)C2	REAL300030056500	0	47	0.0	-75.72	363.62	3.62	-72.10
C[NH+]1CCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030056605	0	46	0.0	-73.23	365.76	3.35	-69.88
CC(C)[C@H](C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030056628	0	48	0.0	-66.63	366.22	3.37	-63.26
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC[NH+](CC3CC3)CC1)C2	REAL300030056736	0	53	0.0	-69.08	414.45	5.58	-63.50
CC[NH+](CC)CC(F)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030056790	0	48	0.0	-65.66	385.82	3.84	-61.82
C[NH+](C)CC1=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)SC=C1	REAL300030056791	0	46	0.0	-65.00	384.98	4.19	-60.81
CC(C)C[N@@H+]1CCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030056841	0	52	0.0	-77.93	408.09	4.85	-73.08
CC(C)C[N@H+]1CCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030056841	1	52	0.0	-66.13	404.82	4.73	-61.40
C[NH+](C)C1(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCC1	REAL300030056845	0	46	0.0	-72.24	350.03	2.89	-69.35
CCC(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](CC)CC	REAL300030056887	0	51	0.0	-61.95	386.21	3.92	-58.03
CC1CCC[N@@H+]1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030056920	0	46	0.0	-64.82	368.77	3.68	-61.14
CC1CCC[N@H+]1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030056920	1	46	0.0	-74.70	368.90	3.66	-71.04
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030057033	1	50	0.0	-72.20	409.10	5.07	-67.13
CC(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCCCCC1	REAL300030057041	0	52	0.0	-64.85	393.71	4.28	-60.57
CC(C)[N@@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030057044	0	52	0.0	-70.94	396.33	4.38	-66.56
CC(C)[N@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030057044	1	52	0.0	-71.07	396.11	4.35	-66.72
CC(C)[N@@H+]1CCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030057080	0	49	0.0	-66.40	374.75	4.32	-62.08
CC(C)[N@H+]1CCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030057080	1	49	0.0	-63.53	380.14	3.89	-59.64
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCC[N@@H+]1C1CCOCC1)C2	REAL300030057089	0	54	0.0	-66.28	414.41	3.40	-62.88
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCC[N@H+]1C1CCOCC1)C2	REAL300030057089	1	54	0.0	-78.80	406.77	3.84	-74.96
C[NH+](C)C(CN1C=CC=N1)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030057091	1	49	0.0	-65.63	396.34	3.09	-62.54
CC(C)[N@@H+]1CCCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030057098	0	52	0.0	-66.25	402.75	4.55	-61.70
CC(C)[N@H+]1CCCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030057098	1	52	0.0	-70.00	393.95	4.00	-66.00
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCC[N@@H+]1C1CCCC1)C2	REAL300030057099	0	53	0.0	-63.24	400.01	5.64	-57.60
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCC[N@H+]1C1CCCC1)C2	REAL300030057099	1	53	0.0	-67.21	399.82	5.65	-61.56
CC(C)[C@@H](C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030057129	0	48	0.0	-64.63	369.27	3.76	-60.87
CC1CC[N@H+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030057167	0	46	0.0	-66.07	369.74	3.54	-62.53
CC1CC[N@@H+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030057167	1	46	0.0	-76.06	368.88	3.57	-72.49
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030057168	0	52	0.0	-72.48	403.72	4.10	-68.38
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030057168	1	52	0.0	-62.00	404.18	4.14	-57.86
CC1=[NH+]C=C2CC(C(=O)N3CC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)CCN21	REAL300030057170	1	48	0.0	-66.60	390.27	4.46	-62.14
C[NH+](C)CCC1=CC=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=C1	REAL300030057172	0	52	0.0	-88.17	419.61	5.76	-82.41
CC1(C)CC[N@H+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030057174	0	49	0.0	-66.30	388.34	4.13	-62.17
CC1(C)CC[N@@H+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030057174	1	49	0.0	-76.17	388.52	4.14	-72.03
C[N@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300030057175	0	51	0.0	-77.09	393.26	4.40	-72.69
C[N@@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300030057175	1	51	0.0	-66.52	393.26	4.46	-62.06
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030057176	0	52	0.0	-71.41	422.62	6.34	-65.07
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030057176	1	52	0.0	-81.09	422.77	6.35	-74.74
CC[C@@H](C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030057188	0	45	0.0	-64.40	351.77	2.81	-61.59
CC(COCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCC1	REAL300030057196	0	53	0.0	-75.96	422.23	4.71	-71.25
C[N@@H+]1C[C@H](C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300030057210	0	53	0.0	-90.84	427.44	6.15	-84.69
C[N@H+]1C[C@H](C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300030057210	1	53	0.0	-85.78	424.95	6.13	-79.65
CN(CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=[NH+]C=C1	REAL300030057383	0	48	0.0	-63.44	397.96	3.54	-59.90
CC1=[NH+]C=CN1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030057525	1	41	0.0	-65.91	352.89	3.50	-62.41
CC(C[NH+]1CCOCC1)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030057527	0	50	0.0	-80.29	392.27	2.41	-77.88
O=C(CCC[NH+]1CCCCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030057550	0	52	0.0	-79.00	409.15	5.14	-73.86
C[NH+](C)CC1=CC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=NO1	REAL300030057576	1	45	0.0	-78.63	379.55	2.95	-75.68
CC1=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=CC2=C[NH+]=CN21	REAL300030057578	0	44	0.0	-65.46	375.71	5.49	-59.97
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030057642	1	47	0.0	-72.52	389.28	4.63	-67.89
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCCC3CCC[N@@H+]31)C2	REAL300030057707	0	50	0.0	-63.10	390.45	4.65	-58.45
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCCC3CCC[N@H+]31)C2	REAL300030057707	1	50	0.0	-72.53	376.85	4.14	-68.39
CC[N@@H+]1CCOC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030057756	1	47	0.0	-77.19	376.48	2.90	-74.29
CC[N@H+]1CCOC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030057756	1	47	0.0	-70.66	374.18	2.87	-67.79
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CN3C=[NH+]C=C3C=C1)C2	REAL300030057850	0	41	0.0	-70.07	348.85	4.92	-65.15
CC1=C[NH+]=CN1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030057855	1	41	0.0	-76.83	353.41	4.25	-72.58
C[NH+](C)CCN1C=C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C=N1	REAL300030057861	0	49	0.0	-85.17	403.12	3.06	-82.11
C[NH+](C)CCN1C=CC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=N1	REAL300030057878	0	49	0.0	-90.50	406.24	3.45	-87.05
C[C@@H]1[C@H](C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300030057886	0	46	0.0	-67.70	359.95	2.84	-64.86
C[C@@H]1[C@H](C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300030057886	1	46	0.0	-66.67	366.28	3.12	-63.55
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030057890	1	50	0.0	-72.57	409.60	5.13	-67.44
CC[C@@H]1[C@@H](C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300030057893	0	49	0.0	-67.30	377.50	3.44	-63.86
CC[C@@H]1[C@@H](C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300030057893	1	49	0.0	-66.51	382.67	3.81	-62.70
CC1CCC(C)[NH+]1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030057925	0	49	0.0	-73.59	380.81	3.92	-69.67
O=C(CCC[NH+]1CCCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030057936	0	49	0.0	-78.66	392.44	4.38	-74.28
C[NH+](C)CC1=CC=CC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300030057937	0	49	0.0	-72.26	397.49	4.92	-67.34
C#CC[NH+]1CCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030057948	0	48	0.0	-73.32	393.69	4.63	-68.69
O=C(CC[NH+]1CCCCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030057950	0	49	0.0	-78.96	387.65	4.35	-74.61
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030057955	0	49	0.0	-60.41	394.97	5.02	-55.39
CC[N@@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030057967	0	49	0.0	-73.19	371.53	3.73	-69.46
CC[N@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030057967	1	49	0.0	-72.71	382.71	4.10	-68.61
CC(C)C(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCCCC1	REAL300030057968	0	55	0.0	-73.72	410.31	5.47	-68.25
C[NH+](C)C(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=CC=C1	REAL300030057972	1	49	0.0	-74.28	393.80	5.20	-69.08
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030057982	1	48	0.0	-65.24	395.06	5.96	-59.28
C[NH+](C)CC1(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCCCC1	REAL300030058031	0	55	0.0	-81.82	400.82	5.47	-76.35
C[NH+](C)CCC1=CC=CC=C1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030058032	0	52	0.0	-68.05	417.11	5.72	-62.33
C[N@H+](CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCCC1	REAL300030058039	0	55	0.0	-69.02	421.89	5.49	-63.53
C[N@@H+](CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCCC1	REAL300030058039	1	55	0.0	-69.80	421.90	5.51	-64.29
C[NH+](C)C1(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300030058043	0	52	0.0	-69.30	387.45	4.31	-64.99
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=NN1	REAL300030058060	1	50	0.0	-73.92	401.74	2.62	-71.30
C[N@H+]1CCCC1C1=CC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=NN1	REAL300030058060	1	50	0.0	-75.35	400.09	2.51	-72.84
C[N@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300030058335	0	46	0.0	-75.06	369.85	3.89	-71.17
C[N@@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300030058335	1	46	0.0	-65.40	369.60	3.88	-61.52
CC(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1C(C)CCC1C	REAL300030058377	0	52	0.0	-61.08	394.18	4.22	-56.86
CC[NH+](CC)CC1=CC=C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030058394	0	52	0.0	-71.96	421.93	5.00	-66.96
O=C(CCCC[NH+]1CCCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030058399	0	52	0.0	-70.41	413.20	5.11	-65.30
C[N@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300030058402	1	49	0.0	-71.03	400.16	5.48	-65.55
C[N@@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300030058402	1	49	0.0	-82.14	400.35	5.50	-76.64
C[NH+]1CCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030058420	0	46	0.0	-73.23	365.76	3.35	-69.88
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030058506	0	43	0.0	-75.96	342.65	2.39	-73.57
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030058506	1	43	0.0	-74.09	348.52	2.87	-71.22
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030058529	1	45	0.0	-63.13	369.24	3.61	-59.52
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030058529	1	45	0.0	-74.38	372.77	4.00	-70.38
C[N@@H+]1CCCC1CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030058541	0	49	0.0	-71.33	390.87	4.45	-66.88
C[N@H+]1CCCC1CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030058541	1	49	0.0	-81.29	387.31	4.24	-77.05
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C13CCC[NH+](CCC1)C3)C2	REAL300030058559	0	50	0.0	-70.98	373.61	3.69	-67.29
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCC3CCCC[N@@H+]31)C2	REAL300030058567	0	50	0.0	-62.61	389.52	4.76	-57.85
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCC3CCCC[N@H+]31)C2	REAL300030058567	1	50	0.0	-72.11	389.44	4.73	-67.38
CCC[N@@H+]1CCCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030058685	0	52	0.0	-64.38	398.62	4.91	-59.47
CCC[N@H+]1CCCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030058685	1	52	0.0	-67.51	404.91	4.70	-62.81
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCCC[N@@H+]1C1CCCC1)C2	REAL300030058698	0	56	0.0	-71.94	411.99	5.55	-66.39
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCCC[N@H+]1C1CCCC1)C2	REAL300030058698	1	56	0.0	-72.47	413.67	5.56	-66.91
CC(C)[N@@H+]1CCOC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030058711	0	50	0.0	-62.08	381.43	3.09	-58.99
CC(C)[N@H+]1CCOC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030058711	1	50	0.0	-71.67	385.97	3.20	-68.47
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030058735	0	53	0.0	-78.25	399.68	2.64	-75.61
C[N@@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030058758	0	46	0.0	-62.92	364.94	3.46	-59.46
C[N@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030058758	1	46	0.0	-73.27	364.94	3.46	-69.81
CC(C)C[N@@H+]1CCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030058796	0	52	0.0	-63.61	407.09	4.98	-58.63
CC(C)C[N@H+]1CCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030058796	1	52	0.0	-64.34	405.54	4.99	-59.35
O=C(C[NH+]1CCC(CO)CC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030058819	0	50	0.0	-80.66	397.05	1.08	-79.58
C[NH+]1C2CCC1CC(=CC(=O)N1CC3(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030058868	0	51	0.0	-76.43	396.68	4.81	-71.62
CC1C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300030058890	0	46	0.0	-70.36	364.86	3.43	-66.93
CC1C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300030058890	1	46	0.0	-70.16	362.44	2.95	-67.21
C[N@@H+]1CCCCC1CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030058894	0	52	0.0	-71.61	397.45	4.64	-66.97
C[N@H+]1CCCCC1CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030058894	1	52	0.0	-76.25	404.83	4.82	-71.43
NC1=[NH+]C2=C(C=C1C(=O)N1CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)CCC2	REAL300030058941	1	46	0.0	-69.12	376.81	2.63	-66.49
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030059039	0	49	0.0	-75.77	363.67	2.97	-72.80
CC(C)(C)[N@H+]1CCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030059039	1	49	0.0	-74.21	367.69	2.98	-71.23
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCN(C3=CC=[NH+]C=C3)C1)C2	REAL300030059061	0	49	0.0	-70.84	397.48	2.30	-68.54
C[C@@H](C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030059067	0	42	0.0	-64.74	341.06	2.26	-62.48
C[NH+](C)CC1=CC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC=N1	REAL300030059090	1	48	0.0	-71.54	393.59	3.09	-68.45
C=CCC(C)(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030059096	0	49	0.0	-69.94	369.71	3.41	-66.53
CC[NH+](CC)CCSCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030059135	0	52	0.0	-81.78	421.78	4.93	-76.85
NC1=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=[NH+]C2=CC=CC=C21	REAL300030059136	1	45	0.0	-63.86	372.78	2.13	-61.73
O=C(CC[NH+]1CCCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030059141	0	46	0.0	-79.10	371.98	3.64	-75.46
C[N@H+](CCO)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030059151	1	43	0.0	-67.41	351.57	-0.66	-68.07
C[N@@H+](CCO)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030059151	1	43	0.0	-77.90	351.52	-0.67	-78.57
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1C[N@@H+]3CCN1CCC3)C2	REAL300030059202	0	49	0.0	-84.13	371.59	1.19	-82.94
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1C[N@H+]3CCN1CCC3)C2	REAL300030059202	1	49	0.0	-67.59	371.55	1.15	-66.44
CC(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCSCC1	REAL300030059250	1	47	0.0	-68.87	382.37	3.84	-65.03
C[N@H+]1CC=C(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030059311	0	47	0.0	-69.77	382.61	4.22	-65.55
C[N@@H+]1CC=C(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030059311	1	47	0.0	-68.63	382.63	4.22	-64.41
C[NH+]1CC(N2CC(C(=O)N3CC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)CC2=O)C1	REAL300030059325	1	51	0.0	-76.22	408.55	2.58	-73.64
C[S+](C)CCC(O)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030059333	0	45	0.0	-64.61	384.15	1.41	-63.20
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030059367	0	47	0.0	-85.39	364.19	-0.28	-85.67
C[N@H+]1CC(O)CC1(C)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030059367	1	47	0.0	-81.27	367.96	-0.26	-81.53
CN1CC[N@H+](C)CC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030059386	0	51	0.0	-74.78	391.78	1.83	-72.95
CN1CC[N@@H+](C)CC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030059386	1	51	0.0	-76.46	387.27	1.17	-75.29
CC(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[N@@H+]1CCCC(O)C1	REAL300030059387	0	50	0.0	-75.94	391.98	0.98	-74.96
CC(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[N@H+]1CCCC(O)C1	REAL300030059387	1	50	0.0	-66.40	394.56	0.78	-65.62
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030059425	0	46	0.0	-74.83	384.07	2.71	-72.12
C[N@@H+]1CCCC(O)(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030059435	0	50	0.0	-76.60	390.97	2.39	-74.21
C[N@H+]1CCCC(O)(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030059435	1	50	0.0	-67.43	393.80	2.28	-65.15
CC1C[NH+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030059442	1	43	0.0	-77.34	354.83	3.00	-74.34
CC[N@@H+]1CCCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030059451	0	49	0.0	-64.55	376.71	4.12	-60.43
CC[N@H+]1CCCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030059451	1	49	0.0	-70.22	377.11	4.15	-66.07
NC1=[NH+]C=CC=C1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030059468	0	42	0.0	-66.91	357.71	1.71	-65.20
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCC[N@@H+]1C1CC1)C2	REAL300030059484	0	47	0.0	-62.41	375.41	3.84	-58.57
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCC[N@H+]1C1CC1)C2	REAL300030059484	1	47	0.0	-66.68	373.25	3.71	-62.97
CC1C[N@@H+](C2CCC2C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCO1	REAL300030059521	0	54	0.0	-66.36	427.39	3.77	-62.59
CC1C[N@H+](C2CCC2C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCO1	REAL300030059521	1	54	0.0	-66.61	427.19	3.75	-62.86
O=C(C1=CC=C(C[NH+]2CCCC2)O1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030059544	0	50	0.0	-73.37	411.48	4.76	-68.61
O=C(C=CC[NH+]1CCCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030059551	0	47	0.0	-81.35	384.29	4.22	-77.13
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC[NH+](C3CC3)CC1)C2	REAL300030059586	0	50	0.0	-79.87	398.18	4.87	-75.00
CC[N@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030059649	0	42	0.0	-77.23	341.38	2.58	-74.65
O=C(CN1CC2C=CC1C2)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030059734	0	45	0.0	-75.69	363.06	3.90	-71.79
O=C(C[N@@H+]1CC2C=CC1C2)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030059734	1	45	0.0	-64.88	362.70	3.82	-61.06
O=C(C[N@H+]1CC2C=CC1C2)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030059734	1	45	0.0	-64.88	362.70	3.82	-61.06
CC1=CC=C(NCCC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)N=C1	REAL300030059761	0	48	0.0	-73.98	402.51	3.32	-70.66
CC1=CC=C(NCCC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)[NH+]=C1	REAL300030059761	1	48	0.0	-73.98	402.51	3.32	-70.66
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1(C[NH+]3CCCC3)CCCC1)C2	REAL300030059821	0	56	0.0	-79.65	418.06	5.51	-74.14
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1C[NH+]3CCN1CC3)C2	REAL300030059852	0	46	0.0	-88.39	358.15	0.26	-88.13
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C13CCC[N@@H+]1CCCC3)C2	REAL300030059924	0	50	0.0	-72.24	376.25	4.12	-68.12
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C13CCC[N@H+]1CCCC3)C2	REAL300030059924	1	50	0.0	-72.04	374.90	3.91	-68.13
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C13CCC[N@@H+]1CC=CC3)C2	REAL300030059936	0	48	0.0	-71.28	367.52	3.78	-67.50
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C13CCC[N@H+]1CC=CC3)C2	REAL300030059936	1	48	0.0	-62.67	368.88	3.84	-58.83
CC(OCC[NH+](C)C)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030059952	0	49	0.0	-70.25	394.76	3.53	-66.72
C[NH+](C)CCOCCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030059966	0	49	0.0	-68.23	400.31	2.70	-65.53
COCC[N@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030059968	1	46	0.0	-77.67	373.77	1.75	-75.92
COCC[N@@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030059968	1	46	0.0	-67.45	373.82	1.74	-65.71
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1C[NH+](C3CCOC3)C1)C2	REAL300030059971	0	48	0.0	-85.97	390.29	2.28	-83.69
CC(CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030059977	0	48	0.0	-77.94	380.93	3.65	-74.29
C[NH+]1CCC(=CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030060008	0	47	0.0	-70.28	376.89	4.16	-66.12
CC[N@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030060023	0	46	0.0	-73.52	372.24	3.93	-69.59
CC[N@@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030060023	1	46	0.0	-63.77	368.27	3.65	-60.12
C[NH+](C)C1(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCCSC1	REAL300030060028	0	50	0.0	-75.02	382.07	4.26	-70.76
CC1C[N@@H+]2CCN1C(C(=O)N1CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300030060044	0	49	0.0	-86.51	373.24	0.76	-85.75
CC1C[N@H+]2CCN1C(C(=O)N1CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300030060044	1	49	0.0	-69.47	366.70	1.87	-67.60
C[N@@H+]1CC2CC1(C(=O)N1CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300030060087	0	44	0.0	-80.56	347.29	3.14	-77.42
C[N@H+]1CC2CC1(C(=O)N1CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300030060087	1	44	0.0	-81.43	352.13	2.99	-78.44
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030060101	1	46	0.0	-68.09	388.29	2.56	-65.53
CC1=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=NN1CC[NH+](C)C	REAL300030060108	0	52	0.0	-85.21	418.94	3.54	-81.67
O=C(C[N@@H+]1CC2CCC1C2)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030060111	0	47	0.0	-75.24	370.29	4.01	-71.23
O=C(C[N@H+]1CC2CCC1C2)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030060111	1	47	0.0	-74.12	367.41	3.77	-70.35
CC(C)[NH+]1CCC(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030060132	0	55	0.0	-68.51	417.33	5.27	-63.24
CC(C[NH+](C)C)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030060149	0	45	0.0	-68.88	359.54	2.95	-65.93
C[N@@H+]1CC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(C(F)(F)F)C1	REAL300030060168	0	46	0.0	-78.99	385.42	3.58	-75.41
C[N@H+]1CC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(C(F)(F)F)C1	REAL300030060168	1	46	0.0	-85.65	375.09	3.65	-82.00
C[NH+](C)C1(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030060172	0	43	0.0	-80.25	349.90	2.71	-77.54
C[C@H](C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030060206	0	42	0.0	-75.77	341.14	2.28	-73.49
CC[N@@H+]1CCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030060220	1	43	0.0	-76.09	344.98	2.50	-73.59
CC[N@H+]1CCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030060220	1	43	0.0	-77.05	355.21	2.87	-74.18
CC(C)[N@@H+]1CCCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030060241	0	52	0.0	-66.15	397.78	4.47	-61.68
CC(C)[N@H+]1CCCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030060241	1	52	0.0	-65.98	400.04	4.48	-61.50
CN1C=C[NH+]=C1N1CCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030060243	1	50	0.0	-70.25	402.47	4.24	-66.01
CCC(C)(C)[NH2+]C(C)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030060272	0	51	0.0	-66.32	388.87	2.65	-63.67
C#CC[N@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030060337	1	48	0.0	-63.95	379.12	4.27	-59.68
C#CC[N@@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030060337	1	48	0.0	-61.97	390.21	4.64	-57.33
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030060341	1	45	0.0	-71.51	372.70	2.52	-68.99
NC1=CC=[NH+]C=C1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030060343	0	39	0.0	-80.03	331.46	-0.14	-80.17
C[NH+](C)C(CC1=CC=CC=C1)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030060349	0	52	0.0	-72.12	410.18	5.76	-66.36
CCCC(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030060360	0	48	0.0	-64.75	375.45	3.70	-61.05
C[NH+](C)C(C)(C)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030060370	0	45	0.0	-69.15	346.02	3.04	-66.11
CC(CC[NH+](C)C)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030060401	0	48	0.0	-70.08	381.20	3.56	-66.52
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)[C@@H]1CCC[N@@H+]3CCCC[C@H]13)C2	REAL300030060474	0	53	0.0	-67.55	391.53	4.44	-63.11
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)[C@@H]1CCC[N@H+]3CCCC[C@H]13)C2	REAL300030060474	1	53	0.0	-69.87	398.67	5.22	-64.65
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C13CC(C1)C[N@@H+]3C1CC1)C2	REAL300030060515	0	48	0.0	-78.00	382.76	4.33	-73.67
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C13CC(C1)C[N@H+]3C1CC1)C2	REAL300030060515	1	48	0.0	-72.12	378.27	4.06	-68.06
COCCCC[N@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030060572	0	55	0.0	-84.26	440.41	3.73	-80.53
COCCCC[N@@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030060572	1	55	0.0	-84.29	440.41	3.72	-80.57
C[NH+](C)C12CCC(C(=O)N3CC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)(CC1)CC2	REAL300030060578	0	56	0.0	-85.46	406.16	4.64	-80.82
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030060587	0	49	0.0	-74.15	381.72	3.75	-70.40
C[N@H+]1CC(C)(C)CC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030060587	1	49	0.0	-66.51	381.49	3.73	-62.78
C[NH+](C)CCCCCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030060593	0	51	0.0	-79.64	410.50	4.83	-74.81
O=C(CC[NH+]1CCC(O)CC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030060599	0	50	0.0	-82.59	398.74	1.00	-81.59
CCC[N@@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030060605	0	52	0.0	-65.24	404.35	4.91	-60.33
CCC[N@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030060605	1	52	0.0	-73.68	391.23	4.44	-69.24
CC[NH+]1CCN(CCC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030060615	0	54	0.0	-79.34	421.75	2.53	-76.81
CCN1CC[NH+](CCC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030060615	1	54	0.0	-80.47	421.09	2.45	-78.02
C[NH+]1CCN(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030060619	1	48	0.0	-77.90	382.94	1.40	-76.50
CC(C)C[NH+]1CCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030060777	0	55	0.0	-71.58	424.68	5.53	-66.05
CC1C[N@H+](C)CC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300030060781	1	47	0.0	-92.36	370.35	2.53	-89.83
CC1C[N@@H+](C)CC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300030060781	1	47	0.0	-78.69	373.12	2.96	-75.73
CCC1CCC[N@H+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030060827	0	52	0.0	-65.38	397.14	4.53	-60.85
CCC1CCC[N@@H+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030060827	1	52	0.0	-77.48	397.50	4.97	-72.51
C[NH+](C)CC1=CC=C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300030060839	0	47	0.0	-90.45	386.17	3.05	-87.40
O=C(C[NH+]1CC2CC2C1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030060865	0	44	0.0	-77.55	358.96	3.76	-73.79
O=C(CC1([NH+]2CCCC2)CC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030060890	0	50	0.0	-74.69	389.36	4.63	-70.06
CC([NH2+]C1(CO)CCCC1)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030060916	0	53	0.0	-74.50	396.17	-0.46	-74.96
C[N@@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030060957	0	46	0.0	-62.92	364.94	3.46	-59.46
C[N@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030060957	1	46	0.0	-73.27	364.94	3.46	-69.81
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC[N@@H+]1CC1=CC=CC=C1)C2	REAL300030060966	1	50	0.0	-69.91	415.03	5.88	-64.03
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC[N@H+]1CC1=CC=CC=C1)C2	REAL300030060966	1	50	0.0	-69.55	415.04	5.89	-63.66
CC(C)C[N@@H+]1CCCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030060973	0	55	0.0	-64.78	416.02	5.57	-59.21
CC(C)C[N@H+]1CCCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030060973	1	55	0.0	-68.01	422.57	5.39	-62.62
C[NH+](C)C1CCN(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030061059	0	54	0.0	-77.30	416.86	2.58	-74.72
C[N@@H+]1CCC(=CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030061152	0	44	0.0	-72.33	362.20	3.42	-68.91
C[N@H+]1CCC(=CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030061152	1	44	0.0	-81.02	361.17	3.52	-77.50
O=C(CNC1=CC=[NH+]C=C1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030061160	0	42	0.0	-78.31	359.36	1.17	-77.14
CC[NH+]1CCN(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030061238	0	51	0.0	-76.32	400.68	2.08	-74.24
O=C(C=C1C[NH+]2CCC1CC2)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030061243	0	48	0.0	-72.52	379.53	4.27	-68.25
C[NH+](C)C1(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCCC1	REAL300030061303	0	49	0.0	-79.02	362.19	3.59	-75.43
C[N@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300030061320	0	50	0.0	-63.86	394.24	1.30	-62.56
C[N@@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300030061320	1	50	0.0	-65.85	394.12	1.30	-64.55
CCC1C[NH+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030061328	1	46	0.0	-78.19	375.96	3.73	-74.46
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1C[NH+](C3CCOCC3)C1)C2	REAL300030061332	0	51	0.0	-84.24	406.90	2.86	-81.38
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1([NH+]3CCCC3)CCC1)C2	REAL300030061335	0	50	0.0	-61.60	377.93	4.24	-57.36
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030061353	0	43	0.0	-73.31	346.68	2.79	-70.52
C[N@H+]1CCC[C@H]1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030061353	1	43	0.0	-64.23	342.60	2.38	-61.85
CC[N@@H+]1CCOCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030061398	0	50	0.0	-69.91	391.31	2.38	-67.53
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC(=O)NC3=C1CCC[NH2+]3)C2	REAL300030061407	0	47	0.0	-93.79	391.22	1.33	-92.46
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1C[NH+](C3CCCCC3)C1)C2	REAL300030061432	0	53	0.0	-66.12	415.47	5.30	-60.82
COC1C[N@@H+]2CCCC2(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030061454	0	51	0.0	-67.68	391.00	2.40	-65.28
COC1C[N@H+]2CCCC2(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030061454	1	51	0.0	-67.68	391.00	2.40	-65.28
NC1=NC2=CC(C(=O)N3CC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)=CC=C2N1	REAL300030061537	0	43	0.0	-81.02	363.57	2.70	-78.32
NC1=[NH+]C2=CC(C(=O)N3CC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)=CC=C2N1	REAL300030061537	1	43	0.0	-81.02	363.57	2.70	-78.32
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030061600	0	46	0.0	-79.13	373.37	3.62	-75.51
C[NH+](C)CCC1(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCCC1	REAL300030061616	0	55	0.0	-84.49	420.72	5.11	-79.38
CC1CCCC(C)[NH+]1CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030061618	0	55	0.0	-76.27	413.86	4.99	-71.28
C[NH+](C)C1CCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030061621	0	52	0.0	-69.09	392.89	4.36	-64.73
C[NH+](C)CCC1(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030061622	0	49	0.0	-85.00	397.63	4.41	-80.59
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030061627	0	52	0.0	-71.22	393.45	4.37	-66.85
C[N@@H+]1CC=CCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030061628	0	47	0.0	-70.73	369.87	3.89	-66.84
C[N@H+]1CC=CCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030061628	1	47	0.0	-69.07	374.82	3.93	-65.14
CC1=CC(C=CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)=C[NH+]=C1N	REAL300030061708	1	46	0.0	-69.14	388.49	2.84	-66.30
C[NH+](C)CCOCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030061725	0	46	0.0	-77.62	379.52	3.01	-74.61
CCCCC[N@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030061733	0	54	0.0	-81.34	428.24	5.44	-75.90
CCCCC[N@@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030061733	1	54	0.0	-70.73	428.07	5.43	-65.30
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300030061750	0	50	0.0	-70.54	400.75	3.86	-66.68
[NH2+]=C1SC=CN1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030061787	0	39	0.0	-65.22	350.56	2.08	-63.14
C[C@@H](OCC[NH+](C)C)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030061909	0	49	0.0	-70.34	394.75	3.51	-66.83
C[NH+]1CCC(O)(C2(C(=O)N3CC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)CC2)CC1	REAL300030061914	0	54	0.0	-82.15	414.79	2.71	-79.44
O=C(CC[NH+]1CCCCCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030062007	0	52	0.0	-69.46	397.69	4.56	-64.90
C[N@@H+]1CCCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030062015	0	46	0.0	-71.22	359.04	3.47	-67.75
C[N@H+]1CCCC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030062015	1	46	0.0	-71.22	359.04	3.47	-67.75
O=C(C[NH+]1CCCCCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030062023	0	49	0.0	-76.46	374.61	3.95	-72.51
CN1C=C[N+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030062030	0	41	0.0	-66.90	354.72	5.41	-61.49
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030062053	0	55	0.0	-68.67	402.31	4.04	-64.63
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030062053	1	55	0.0	-68.67	402.31	4.04	-64.63
CN(C)CC1=CC=C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030062059	0	46	0.0	-74.89	385.05	3.53	-71.36
C[NH+](C)CC1=CC=C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030062059	1	46	0.0	-74.89	385.05	3.53	-71.36
O=C(CN1CCC(O)CC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030062093	0	47	0.0	-82.28	376.84	0.42	-81.86
O=C(C[NH+]1CCC(O)CC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030062093	1	47	0.0	-82.28	376.84	0.42	-81.86
C[N@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030062101	0	43	0.0	-74.92	353.07	3.31	-71.61
CC(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)N1CCN(C)CC1	REAL300030062103	0	51	0.0	-70.33	393.79	1.60	-68.73
CC(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)N1CC[NH+](C)CC1	REAL300030062103	1	51	0.0	-70.33	393.79	1.60	-68.73
O=C(CC[N@H+]1CCC(F)C1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030062111	0	46	0.0	-70.24	377.80	3.69	-66.55
COC1C[N@H+](C)C(C)(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030062130	0	50	0.0	-65.90	390.79	2.05	-63.85
C[NH+](C)CCC1=CC=CC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300030062153	0	52	0.0	-73.97	420.03	5.76	-68.21
CC(CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300030062160	0	48	0.0	-79.91	380.67	3.92	-75.99
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC[N@@H+]3CCOCC13)C2	REAL300030062187	0	48	0.0	-70.05	380.21	2.11	-67.94
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC[N@H+]3CCOCC13)C2	REAL300030062187	1	48	0.0	-70.05	380.21	2.11	-67.94
CN1CCOCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030062222	0	47	0.0	-72.84	374.26	1.69	-71.15
C[N@@H+]1CCOCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030062222	1	47	0.0	-84.89	374.26	1.71	-83.18
C[N@H+]1CCOCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030062222	1	47	0.0	-84.89	374.26	1.71	-83.18
C[NH+](C)CC(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=CC=C1	REAL300030062234	0	52	0.0	-72.67	418.13	5.74	-66.93
CC1=CC(N)=NC=C1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030062323	0	42	0.0	-68.40	352.29	1.14	-67.26
CC1=CC(N)=[NH+]C=C1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030062323	1	42	0.0	-68.40	352.29	1.14	-67.26
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1(CC[NH+]3CCCCC3)CC1)C2	REAL300030062359	0	56	0.0	-81.16	437.48	6.17	-74.99
CC1(O)CC[N@H+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030062401	0	47	0.0	-66.95	379.56	0.29	-66.66
C[NH+](C)CCN1N=CC=C1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030062412	0	49	0.0	-71.63	398.44	3.06	-68.57
C[NH+]1CC(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030062455	0	43	0.0	-79.12	354.93	2.73	-76.39
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC[N@@H+]1C1CCCC1)C2	REAL300030062461	0	50	0.0	-67.41	394.12	4.65	-62.76
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC[N@H+]1C1CCCC1)C2	REAL300030062461	1	50	0.0	-67.41	394.12	4.65	-62.76
C[N@H+](CCO)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030062521	0	46	0.0	-78.88	374.04	-0.08	-78.96
C[N@@H+](CCO)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030062521	1	46	0.0	-78.88	374.04	-0.08	-78.96
C[N@@H+]1CCCCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030062550	0	49	0.0	-69.74	375.40	3.95	-65.79
C[N@H+]1CCCCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030062550	1	49	0.0	-69.74	375.40	3.95	-65.79
CC1=C2C=C(C(=O)N3CC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C=CN2C=N1	REAL300030062585	0	44	0.0	-83.60	371.56	5.52	-78.08
CC1=C2C=C(C(=O)N3CC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C=CN2C=[NH+]1	REAL300030062585	1	44	0.0	-83.60	371.56	5.52	-78.08
CC1CCN1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030062592	0	43	0.0	-75.99	354.85	2.99	-73.00
CC1CC[N@@H+]1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030062592	1	43	0.0	-65.68	354.79	2.94	-62.74
CC1CC[N@H+]1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030062592	1	43	0.0	-65.68	354.79	2.94	-62.74
C[NH+](C)CC=CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030062613	0	43	0.0	-82.88	360.62	3.14	-79.74
CC1(C)CN(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030062631	0	46	0.0	-77.90	374.25	3.52	-74.38
CC1(C)C[NH+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030062631	1	46	0.0	-77.90	374.25	3.52	-74.38
O=C(CCCC[NH+]1CCCCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030062646	0	55	0.0	-79.29	430.64	5.92	-73.37
CC1=C(C)NC(CCC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300030062663	0	47	0.0	-73.19	393.88	3.20	-69.99
CC1=C(C)[NH+]=C(CCC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300030062663	1	47	0.0	-73.19	393.88	3.20	-69.99
CN1CCC2=C(C1)SC(C(=O)N1CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)=C2	REAL300030062664	0	47	0.0	-75.01	393.47	4.67	-70.34
C[N@@H+]1CCC2=C(C1)SC(C(=O)N1CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)=C2	REAL300030062664	1	47	0.0	-75.69	393.50	4.68	-71.01
C[N@H+]1CCC2=C(C1)SC(C(=O)N1CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)=C2	REAL300030062664	1	47	0.0	-75.69	393.50	4.68	-71.01
C[NH+]1CCC(C2(C(=O)N3CC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)CC2)CC1	REAL300030062678	0	53	0.0	-83.54	414.67	5.48	-78.06
CC1=C2C=C(C(=O)N3CC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C=CN2C=N1	REAL300030062689	0	44	0.0	-83.60	371.56	5.52	-78.08
CC1=C2C=C(C(=O)N3CC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C=CN2C=[NH+]1	REAL300030062689	1	44	0.0	-83.60	371.56	5.52	-78.08
C[NH+](C)CCSCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030062705	0	46	0.0	-83.78	390.54	3.85	-79.93
CC(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300030062727	0	52	0.0	-77.76	418.35	5.90	-71.86
NC1=NC2=C(C=C1C(=O)N1CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)CCCC2	REAL300030062731	0	49	0.0	-69.01	394.75	3.33	-65.68
NC1=[NH+]C2=C(C=C1C(=O)N1CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)CCCC2	REAL300030062731	1	49	0.0	-69.01	394.75	3.33	-65.68
O=C(C[N@H+]1CCCC1CO)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030062740	0	47	0.0	-76.36	373.28	-0.04	-76.40
CC[NH+](CC)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030062743	0	45	0.0	-66.35	359.58	3.25	-63.10
C[N@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300030062760	0	47	0.0	-71.76	382.82	4.13	-67.63
O=C(CN1CCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030062762	0	40	0.0	-77.00	333.56	2.36	-74.64
O=C(C[NH+]1CCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030062762	1	40	0.0	-77.00	333.56	2.36	-74.64
CC[NH+](CC)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030062830	0	48	0.0	-78.70	381.59	3.82	-74.88
NC(=O)C1CC[NH+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030062856	0	50	0.0	-91.82	401.67	0.45	-91.37
C[NH+](C)CC1=CNC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030062920	0	47	0.0	-83.08	385.71	3.18	-79.90
CC(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCC(O)CC1	REAL300030062946	0	50	0.0	-66.30	393.93	0.76	-65.54
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC3COCC[N@@H+]3C1)C2	REAL300030062955	0	48	0.0	-66.04	379.26	2.15	-63.89
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC3COCC[N@H+]3C1)C2	REAL300030062955	1	48	0.0	-79.95	381.79	2.17	-77.78
CC(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCC1	REAL300030062977	1	43	0.0	-74.44	348.92	2.70	-71.74
CCC(CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300030062991	0	51	0.0	-84.06	399.37	4.53	-79.53
NC1=CC=C(C=CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C=[NH+]1	REAL300030063000	0	43	0.0	-82.68	370.75	2.10	-80.58
C[NH+](C)CC(C)(C)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030063001	0	48	0.0	-69.91	365.66	3.20	-66.71
C[NH+](C)C(CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300030063048	0	52	0.0	-83.86	413.57	5.91	-77.95
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030063091	0	46	0.0	-66.81	352.04	3.02	-63.79
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030063091	1	46	0.0	-73.23	364.97	3.47	-69.76
CC1CN2CC[N@@H+]1CC2C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030063109	0	49	0.0	-74.91	374.77	0.70	-74.21
CC1CN2CC[N@H+]1CC2C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030063109	1	49	0.0	-83.02	373.29	0.69	-82.33
C[NH+](C)CC(O)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030063145	0	46	0.0	-83.52	376.12	0.96	-82.56
C[NH+]1C2CCC1CC(C(=O)N1CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300030063148	0	50	0.0	-69.38	383.92	4.00	-65.38
C#CC1(O)CC[NH+](C(C)C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030063190	0	52	0.0	-76.07	417.35	1.74	-74.33
C=CCC(C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030063205	0	46	0.0	-67.43	369.12	3.53	-63.90
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC3CCCC[N@@H+]3C1)C2	REAL300030063221	0	50	0.0	-67.07	390.84	4.55	-62.52
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC3CCCC[N@H+]3C1)C2	REAL300030063221	1	50	0.0	-74.68	388.49	4.54	-70.14
C[NH+]1CCC(C)(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030063239	0	49	0.0	-79.84	373.70	3.54	-76.30
C[NH+]1CCC(O)(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030063245	0	50	0.0	-79.16	394.05	2.25	-76.91
COCC[N@@H+]1CCCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030063264	0	53	0.0	-67.56	413.97	3.85	-63.71
COCC[N@H+]1CCCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030063264	1	53	0.0	-75.82	421.28	3.29	-72.53
C[NH+]1C2CCC1CC(CC(=O)N1CC3(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030063280	0	53	0.0	-79.83	389.72	4.35	-75.48
C[NH+](C)CCN1N=CC=C1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030063325	0	49	0.0	-71.63	398.44	3.06	-68.57
C[N@@H+]1CCC2=C(C1)SC(C(=O)N1CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)=C2	REAL300030063367	1	47	0.0	-75.01	393.47	4.67	-70.34
C[N@H+]1CCC2=C(C1)SC(C(=O)N1CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)=C2	REAL300030063367	1	47	0.0	-75.69	393.50	4.68	-71.01
C[NH+]1CCC(C2(C(=O)N3CC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)CC2)CC1	REAL300030063379	0	53	0.0	-83.54	414.67	5.48	-78.06
CC1=C2C=C(C(=O)N3CC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C=CN2C=[NH+]1	REAL300030063392	1	44	0.0	-83.60	371.56	5.52	-78.08
C[NH+](C)CCSCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030063407	0	46	0.0	-83.78	390.54	3.85	-79.93
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC3COCC[N@@H+]3C1)C2	REAL300030063419	0	48	0.0	-66.04	379.26	2.15	-63.89
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC3COCC[N@H+]3C1)C2	REAL300030063419	1	48	0.0	-79.95	381.79	2.17	-77.78
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@@H+]1C	REAL300030063579	0	46	0.0	-63.97	366.50	0.98	-62.99
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@H+]1C	REAL300030063579	1	46	0.0	-60.47	366.78	0.84	-59.63
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@H+](C)CCO1	REAL300030063603	1	47	0.0	-58.79	371.35	0.17	-58.62
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@@H+](C)CCO1	REAL300030063603	1	47	0.0	-70.73	370.50	0.20	-70.53
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCN1C=C[NH+]=C1C(C)C	REAL300030063784	1	53	0.0	-59.74	426.55	3.03	-56.71
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)[NH+]1CCCCCC1	REAL300030063791	0	55	0.0	-60.01	410.14	2.34	-57.67
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCCC[N@@H+]1C(C)C	REAL300030063793	0	55	0.0	-60.93	407.12	2.49	-58.44
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCCC[N@H+]1C(C)C	REAL300030063793	1	55	0.0	-59.57	413.34	2.43	-57.14
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@@H+]1C(C)C	REAL300030063823	0	52	0.0	-58.75	387.65	1.83	-56.92
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@H+]1C(C)C	REAL300030063823	1	52	0.0	-59.34	400.18	1.99	-57.35
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300030063847	0	53	0.0	-62.97	408.81	2.56	-60.41
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC2CCCC[N@H+]2C1	REAL300030063847	1	53	0.0	-62.49	408.40	2.61	-59.88
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1C=C[NH+]=C1C(C)C	REAL300030063878	1	50	0.0	-60.07	406.79	2.61	-57.46
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1C=C[NH+]=C1C	REAL300030063928	1	44	0.0	-61.84	370.59	1.48	-60.36
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)C[NH+]1CCOCC1	REAL300030063930	0	53	0.0	-66.30	412.43	0.63	-65.67
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCC[NH+]1CCCCC1	REAL300030063952	0	55	0.0	-66.03	426.60	3.12	-62.91
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)(C)[NH+]1CCCCC1	REAL300030063977	0	55	0.0	-60.27	410.47	2.84	-57.43
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[NH+]2CCC1CC2	REAL300030063995	0	50	0.0	-62.33	382.19	1.65	-60.68
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCCC2CCC[N@@H+]21	REAL300030064049	0	53	0.0	-60.21	404.75	2.74	-57.47
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCCC2CCC[N@H+]21	REAL300030064049	1	53	0.0	-63.26	396.86	2.50	-60.76
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300030064051	0	52	0.0	-76.09	424.52	1.42	-74.67
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300030064065	0	52	0.0	-77.20	424.91	1.42	-75.78
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300030064071	0	49	0.0	-64.68	376.44	0.81	-63.87
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300030064071	1	49	0.0	-65.93	380.99	1.34	-64.59
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL300030064074	1	53	0.0	-62.23	426.13	3.12	-59.11
CC[C@@H]1[C@@H](C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2OC)CC[N@@H+]1C	REAL300030064077	0	52	0.0	-66.86	396.82	1.62	-65.24
CC[C@@H]1[C@@H](C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2OC)CC[N@H+]1C	REAL300030064077	1	52	0.0	-63.55	402.99	1.92	-61.63
CC[N@@H+]1CCOC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2OC)C1	REAL300030064101	1	50	0.0	-63.66	388.24	0.86	-62.80
CC[N@H+]1CCOC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2OC)C1	REAL300030064101	1	50	0.0	-69.43	388.28	0.83	-68.60
CC[NH+](CC)CC(F)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL300030064158	0	51	0.0	-64.88	399.51	1.63	-63.25
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=C(C[NH+](C)C)C=CS1	REAL300030064159	0	49	0.0	-63.25	406.77	2.48	-60.77
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+]1C(C)CCC1C	REAL300030064257	0	52	0.0	-59.66	398.15	1.77	-57.89
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCC[NH+]1CCCC1	REAL300030064264	0	52	0.0	-67.66	409.02	2.39	-65.27
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300030064265	0	52	0.0	-71.61	419.30	3.37	-68.24
C#CC[NH+]1CCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2OC)CC1	REAL300030064272	0	51	0.0	-69.01	410.39	2.71	-66.30
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[NH+]1CCCCC1	REAL300030064273	0	52	0.0	-64.76	405.12	2.32	-62.44
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=CC=C1C[NH+](C)C	REAL300030064277	0	52	0.0	-58.88	411.67	3.65	-55.23
CC[N@@H+]1CCCCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL300030064286	0	52	0.0	-57.93	400.87	2.13	-55.80
CC[N@H+]1CCCCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL300030064286	1	52	0.0	-62.45	390.61	1.98	-60.47
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C(C)C)[NH+]1CCCCC1	REAL300030064287	0	58	0.0	-64.11	432.18	3.82	-60.29
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C1=CC=CC=C1)[NH+](C)C	REAL300030064290	1	52	0.0	-63.00	414.89	3.42	-59.58
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@H+](CC(C)C)C1	REAL300030064313	0	55	0.0	-65.06	425.92	2.82	-62.24
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@@H+](CC(C)C)C1	REAL300030064313	1	55	0.0	-63.55	425.97	2.88	-60.67
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1([NH+](C)C)CCC1	REAL300030064317	0	49	0.0	-62.76	371.88	1.43	-61.33
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(CN1C=CC=N1)[NH+](C)C	REAL300030064319	1	52	0.0	-62.63	414.13	1.13	-61.50
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1CCC[N@@H+]1C(C)C	REAL300030064324	0	55	0.0	-62.21	410.67	2.02	-60.19
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1CCC[N@H+]1C(C)C	REAL300030064324	1	55	0.0	-61.40	409.43	2.46	-58.94
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300030064325	0	56	0.0	-60.47	424.00	3.41	-57.06
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@H+]1C1CCCC1	REAL300030064325	1	56	0.0	-60.31	427.05	3.28	-57.03
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H](C(C)C)[NH+](C)C	REAL300030064346	0	51	0.0	-59.90	385.44	1.40	-58.50
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+](C)C1CCC1	REAL300030064407	0	49	0.0	-61.57	387.36	1.88	-59.69
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+](C)C1CCC1	REAL300030064407	1	49	0.0	-62.14	387.23	1.87	-60.27
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)[NH+]1C(C)CCC1C	REAL300030064487	0	55	0.0	-57.16	409.94	2.01	-55.15
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCN(C)C1=CC=[NH+]C=C1	REAL300030064555	0	51	0.0	-63.14	414.74	1.56	-61.58
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCC1CCC[N@@H+]1C	REAL300030064576	0	52	0.0	-66.62	402.11	1.94	-64.68
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCC1CCC[N@H+]1C	REAL300030064576	1	52	0.0	-67.35	403.77	2.29	-65.06
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2	REAL300030064588	0	53	0.0	-68.32	397.56	2.13	-66.19
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC2CCCC[N@@H+]21	REAL300030064596	0	53	0.0	-58.33	402.80	2.39	-55.94
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC2CCCC[N@H+]21	REAL300030064596	1	53	0.0	-58.07	408.99	2.84	-55.23
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1	REAL300030064604	0	56	0.0	-65.34	424.70	1.11	-64.23
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCCC[NH+]1CCCC1	REAL300030064624	0	55	0.0	-66.94	432.41	3.20	-63.74
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300030064626	1	52	0.0	-66.81	417.81	3.49	-63.32
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300030064626	1	52	0.0	-67.14	417.74	3.47	-63.67
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[NH+](C)CC1	REAL300030064641	0	49	0.0	-68.90	385.67	1.55	-67.35
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=NOC(C[NH+](C)C)=C1	REAL300030064698	1	48	0.0	-76.84	398.29	0.90	-75.94
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=C(C)N2C=[NH+]C=C2C=C1	REAL300030064700	0	47	0.0	-67.40	384.29	3.78	-63.62
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCCC[N@@H+]1C	REAL300030064739	0	49	0.0	-64.07	372.84	1.35	-62.72
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCCC[N@H+]1C	REAL300030064739	1	49	0.0	-65.37	372.86	1.33	-64.04
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@@H+]1CC(C)C	REAL300030064769	0	55	0.0	-62.99	419.17	2.58	-60.41
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@H+]1CC(C)C	REAL300030064769	1	55	0.0	-62.59	423.88	3.08	-59.51
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300030064915	0	44	0.0	-68.32	370.39	3.44	-64.88
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCCN1C=C[NH+]=C1C	REAL300030064927	1	50	0.0	-64.03	412.11	2.80	-61.23
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCCC[NH+]1CCOCC1	REAL300030064931	1	56	0.0	-69.92	439.35	1.47	-68.45
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300030064937	0	52	0.0	-74.01	418.32	3.41	-70.60
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[NH+]1CCOCC1	REAL300030064938	1	50	0.0	-67.61	396.35	-0.12	-67.73
CCC[NH+](CCC)CCCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL300030064961	0	60	0.0	-68.19	458.30	3.86	-64.33
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1C=[NH+]C=C1C	REAL300030064981	1	44	0.0	-65.34	369.92	2.28	-63.06
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1C=[NH+]C2=C1CCCC2	REAL300030064990	1	51	0.0	-64.10	411.75	4.01	-60.09
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(C[NH+](C)C)CCCCC1	REAL300030065032	0	58	0.0	-62.85	418.56	3.09	-59.76
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[N@H+](C)C1CCCCC1	REAL300030065038	0	58	0.0	-66.02	439.51	3.47	-62.55
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[N@@H+](C)C1CCCCC1	REAL300030065038	1	58	0.0	-65.38	439.51	3.47	-61.91
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CCC[NH+]1CCC2	REAL300030065041	0	50	0.0	-62.15	385.75	1.87	-60.28
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCCC([NH+](C)C)C1	REAL300030065080	0	55	0.0	-65.94	419.96	2.72	-63.22
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1CC[N@H+](C)C1	REAL300030065084	0	49	0.0	-68.90	386.86	1.53	-67.37
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1CC[N@@H+](C)C1	REAL300030065084	1	49	0.0	-69.41	387.02	1.49	-67.92
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=C[NH+]=CC=C1N(C)C	REAL300030065097	0	48	0.0	-70.63	390.94	0.73	-69.90
CCC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC)[NH+](C)C	REAL300030065103	0	48	0.0	-63.55	371.85	0.81	-62.74
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1([NH+](C)C)CCCC1	REAL300030065123	0	55	0.0	-66.57	401.16	2.18	-64.39
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300030065184	1	44	0.0	-69.39	371.53	3.40	-65.99
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300030065225	1	47	0.0	-76.61	399.92	1.36	-75.25
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCCC[NH+](C)C	REAL300030065256	0	51	0.0	-68.38	406.44	2.01	-66.37
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C(C)C)[NH+](C)C	REAL300030065277	0	51	0.0	-65.57	386.87	1.78	-63.79
CCC[N@H+](C)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL300030065279	0	51	0.0	-68.57	401.82	1.90	-66.67
CCC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL300030065279	1	51	0.0	-68.68	401.82	1.89	-66.79
CCC[N@H+](C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL300030065285	0	48	0.0	-63.77	380.31	1.29	-62.48
CCC[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL300030065285	1	48	0.0	-63.65	380.31	1.29	-62.36
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CC[N@H+](C1)CCC2	REAL300030065314	0	50	0.0	-68.13	381.95	1.21	-66.92
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CC[N@@H+](C1)CCC2	REAL300030065314	1	50	0.0	-65.09	382.00	1.22	-63.87
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H]1CCC[N@@H+]1C	REAL300030065372	0	46	0.0	-62.12	366.20	0.94	-61.18
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H]1CCC[N@H+]1C	REAL300030065372	1	46	0.0	-64.61	361.09	0.41	-64.20
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC2CC(C)C[N@@H+]2C1	REAL300030065397	0	56	0.0	-58.81	423.32	3.48	-55.33
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC2CC(C)C[N@H+]2C1	REAL300030065397	1	56	0.0	-60.13	423.17	3.43	-56.70
CCCCCC[N@H+](C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL300030065442	0	57	0.0	-64.97	444.82	3.65	-61.32
CCCCCC[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL300030065442	1	57	0.0	-64.77	444.83	3.65	-61.12
CC[NH+](CC)C(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC)C(C)C	REAL300030065450	0	57	0.0	-62.41	417.84	3.00	-59.41
CC[NH+](CC)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL300030065459	0	48	0.0	-61.86	372.68	0.96	-60.90
CCC[N@@H+]1CCCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2OC)C1	REAL300030065492	0	55	0.0	-61.19	418.58	3.11	-58.08
CCC[N@H+]1CCCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2OC)C1	REAL300030065492	1	55	0.0	-64.08	424.84	2.91	-61.17
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@@H+](C(C)C)CCO1	REAL300030065514	1	53	0.0	-68.91	412.16	1.54	-67.37
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@H+](C(C)C)CCO1	REAL300030065514	1	53	0.0	-68.51	413.09	1.49	-67.02
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+]1CCC(C)CC1	REAL300030065552	0	52	0.0	-63.49	403.75	2.39	-61.10
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300030065580	1	47	0.0	-75.25	399.52	1.36	-73.89
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)COC1CC[NH+](C)CC1	REAL300030065589	0	53	0.0	-72.77	420.12	2.01	-70.76
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(C[NH+](C)C)CC1	REAL300030065605	0	49	0.0	-67.47	392.98	1.59	-65.88
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC2=C[NH+]=C(C)N2C1	REAL300030065606	1	51	0.0	-61.84	408.56	2.69	-59.15
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[NH+](C(C)C)CC1	REAL300030065702	0	55	0.0	-65.68	420.03	2.74	-62.94
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[NH+](C)CC1	REAL300030065730	0	49	0.0	-68.90	385.67	1.55	-67.35
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C	REAL300030065751	0	51	0.0	-65.50	386.90	1.79	-63.71
CCC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC)[NH+](CC)CC	REAL300030065786	0	54	0.0	-60.36	406.47	2.30	-58.06
CC[N@H+](C)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL300030065869	0	48	0.0	-67.84	380.36	1.11	-66.73
CC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL300030065869	1	48	0.0	-68.07	380.33	1.12	-66.95
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+]1CCCC1C	REAL300030065938	0	49	0.0	-60.70	386.44	1.68	-59.02
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+]1CCCC1C	REAL300030065938	1	49	0.0	-60.46	379.75	1.25	-59.21
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+]1CCC(C)C1	REAL300030065940	0	49	0.0	-65.65	385.94	1.66	-63.99
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+]1CCC(C)C1	REAL300030065940	1	49	0.0	-62.71	387.15	1.64	-61.07
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(F)CC[N@@H+](C(C)(C)C)C1	REAL300030065941	0	55	0.0	-60.46	423.27	2.17	-58.29
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(F)CC[N@H+](C(C)(C)C)C1	REAL300030065941	1	55	0.0	-64.86	422.35	2.17	-62.69
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCN2C(=C[NH+]=C2C)C1	REAL300030065943	1	51	0.0	-64.60	408.74	2.65	-61.95
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1	REAL300030065946	0	52	0.0	-65.48	405.12	2.17	-63.31
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+]1CCC(C)(C)C1	REAL300030065946	1	52	0.0	-62.77	406.64	2.14	-60.63
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+](C)CC(C)(C)C	REAL300030065947	0	54	0.0	-62.73	410.73	2.39	-60.34
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+](C)CC(C)(C)C	REAL300030065947	1	54	0.0	-63.42	408.93	2.29	-61.13
CC[C@@H](C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC)[NH+](C)C	REAL300030065958	0	48	0.0	-60.46	371.74	0.88	-59.58
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)COCC(C)[NH+]1CCCC1	REAL300030065966	0	56	0.0	-66.16	438.72	2.70	-63.46
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[NH+](CC2CC2)CC1	REAL300030066051	0	56	0.0	-68.10	434.91	3.76	-64.34
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1(O)CC[NH+](C)CC1	REAL300030066192	0	53	0.0	-69.27	411.65	0.20	-69.07
COCC[N@@H+]1CCCC1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL300030066199	0	56	0.0	-66.48	436.00	1.64	-64.84
COCC[N@H+]1CCCC1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL300030066199	1	56	0.0	-63.55	432.83	0.91	-62.64
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+](C)C	REAL300030066207	0	42	0.0	-67.05	340.20	-0.07	-67.12
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+]1CCC(CO)CC1	REAL300030066212	1	53	0.0	-64.92	414.96	-0.91	-65.83
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+]1CCCCCC1	REAL300030066216	0	52	0.0	-66.05	391.34	1.97	-64.08
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N+]1=CN(C)C=C1	REAL300030066221	0	44	0.0	-63.83	371.39	3.45	-60.38
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@H+](C)C1	REAL300030066232	0	49	0.0	-59.91	379.39	1.71	-58.20
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@@H+](C)C1	REAL300030066232	1	49	0.0	-66.34	385.71	1.51	-64.83
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@@H+]1C1CC1	REAL300030066237	0	50	0.0	-61.64	397.72	2.43	-59.21
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@H+]1C1CC1	REAL300030066237	1	50	0.0	-58.82	396.37	2.36	-56.46
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)[NH+]1CCC1	REAL300030066272	1	46	0.0	-63.72	368.41	0.98	-62.74
CCC(CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC)C[NH+](C)C	REAL300030066281	0	54	0.0	-70.00	415.03	2.53	-67.47
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)(C)C[NH+](C)C	REAL300030066289	0	51	0.0	-67.18	390.01	1.64	-65.54
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300030066309	1	51	0.0	-61.28	393.87	2.68	-58.60
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300030066309	1	51	0.0	-61.23	394.21	3.19	-58.04
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+]1CCC(O)CC1	REAL300030066329	1	50	0.0	-67.03	394.31	-1.58	-68.61
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+](C)C1CC1	REAL300030066330	0	46	0.0	-61.26	370.53	1.29	-59.97
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+](C)C1CC1	REAL300030066330	1	46	0.0	-63.86	369.55	1.30	-62.56
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)N1CC[NH+](C)CC1	REAL300030066331	1	54	0.0	-66.93	411.18	-0.30	-67.23
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1C[NH+](C)C1	REAL300030066356	0	46	0.0	-67.30	371.69	0.73	-66.57
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@@H+]1C1CCCC1	REAL300030066360	0	53	0.0	-62.35	413.52	2.84	-59.51
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@H+]1C1CCCC1	REAL300030066360	1	53	0.0	-66.13	410.83	2.72	-63.41
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300030066368	0	52	0.0	-61.71	386.95	1.00	-60.71
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@H+]1C(C)(C)C	REAL300030066368	1	52	0.0	-59.38	381.90	1.30	-58.08
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H](C)[NH+](C)C	REAL300030066381	0	45	0.0	-64.03	358.29	0.32	-63.71
CCC1CCC[N@H+](CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2OC)C1	REAL300030066430	0	55	0.0	-63.25	422.05	3.01	-60.24
CCC1CCC[N@@H+](CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2OC)C1	REAL300030066430	1	55	0.0	-64.03	414.59	2.53	-61.50
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=C(C[NH+](C)C)N1	REAL300030066439	0	50	0.0	-68.94	407.69	1.32	-67.62
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1CC2CCC(C1)[NH+]2C	REAL300030066453	0	56	0.0	-69.60	406.08	2.39	-67.21
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1C=CSC1=[NH2+]	REAL300030066497	0	42	0.0	-60.92	368.20	0.06	-60.86
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[N@H+](C)CCO	REAL300030066510	0	49	0.0	-68.32	390.66	-2.09	-70.41
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[N@@H+](C)CCO	REAL300030066510	1	49	0.0	-67.35	390.63	-2.09	-69.44
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H](C)[NH+](C)C	REAL300030066511	0	45	0.0	-64.03	358.29	0.32	-63.71
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H]1CCCC[N@@H+]1C	REAL300030066515	0	49	0.0	-62.67	383.06	1.48	-61.19
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H]1CCCC[N@H+]1C	REAL300030066515	1	49	0.0	-65.50	372.82	1.37	-64.13
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@@H+]2CCN1CC2C	REAL300030066525	0	52	0.0	-68.15	393.98	-1.12	-69.27
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@H+]2CCN1CC2C	REAL300030066525	1	52	0.0	-60.74	393.87	-1.14	-61.88
COC1C[N@@H+]2CCCC2(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2OC)C1	REAL300030066569	0	54	0.0	-62.07	418.97	0.83	-61.24
COC1C[N@H+]2CCCC2(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2OC)C1	REAL300030066569	1	54	0.0	-64.63	419.90	0.90	-63.73
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1=CC2=C[NH+]=CN2C=C1	REAL300030066584	0	47	0.0	-67.62	394.60	4.12	-63.50
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+](C)C1CCSC1	REAL300030066612	0	50	0.0	-67.72	400.36	2.12	-65.60
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+](C)C1CCSC1	REAL300030066612	1	50	0.0	-69.91	400.59	2.12	-67.79
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=NC(C[NH+](C)C)=C1	REAL300030066650	1	51	0.0	-69.07	414.32	1.95	-67.12
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C=C1CC[N@H+](C)C1	REAL300030066652	0	47	0.0	-71.29	379.07	1.46	-69.83
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C=C1CC[N@@H+](C)C1	REAL300030066652	1	47	0.0	-69.44	379.99	1.43	-68.01
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[NH+](C2CCCCC2)C1	REAL300030066678	0	56	0.0	-67.67	431.71	3.28	-64.39
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)COCC[NH+](C)C	REAL300030066694	0	49	0.0	-68.15	396.07	0.98	-67.17
CCCCC[N@H+](C)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL300030066701	0	57	0.0	-69.38	444.86	3.42	-65.96
CCCCC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL300030066701	1	57	0.0	-69.58	444.81	3.43	-66.15
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300030066711	0	53	0.0	-67.89	420.00	1.80	-66.09
C=CCC(C)(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC)[NH+](C)C	REAL300030066721	0	52	0.0	-60.98	396.60	1.93	-59.05
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(O)CC[S+](C)C	REAL300030066726	0	48	0.0	-66.15	405.07	-0.41	-66.56
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(C)CC(O)CN1C	REAL300030066759	0	50	0.0	-62.33	388.79	-1.82	-64.15
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(C)CC(O)C[N@@H+]1C	REAL300030066759	1	50	0.0	-68.22	388.39	-2.01	-70.23
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(C)CC(O)C[N@H+]1C	REAL300030066759	1	50	0.0	-68.22	388.39	-2.01	-70.23
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CN(C)CC[N@H+](C)C1	REAL300030066774	0	54	0.0	-68.93	409.03	-0.52	-69.45
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CN(C)CC[N@@H+](C)C1	REAL300030066774	1	54	0.0	-68.93	409.03	-0.52	-69.45
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)N1CCCC(O)C1	REAL300030066775	0	53	0.0	-58.88	410.06	-1.02	-59.90
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)[N@@H+]1CCCC(O)C1	REAL300030066775	1	53	0.0	-63.06	411.99	-1.22	-64.28
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)[N@H+]1CCCC(O)C1	REAL300030066775	1	53	0.0	-63.06	411.99	-1.22	-64.28
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1CCC(CO)CC1	REAL300030066790	0	53	0.0	-64.92	414.96	-0.91	-65.83
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+]1CCC(CO)CC1	REAL300030066790	1	53	0.0	-64.92	414.96	-0.91	-65.83
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1(O)CCC[N@H+](C)C1	REAL300030066800	0	53	0.0	-65.52	400.78	0.08	-65.44
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1(O)CCC[N@@H+](C)C1	REAL300030066800	1	53	0.0	-65.52	400.78	0.08	-65.44
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1CC(C)C1	REAL300030066804	0	46	0.0	-66.50	370.32	1.09	-65.41
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+]1CC(C)C1	REAL300030066804	1	46	0.0	-66.50	370.32	1.09	-65.41
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1CCC(C(N)=O)CC1	REAL300030066809	0	53	0.0	-75.01	418.83	-1.55	-76.56
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+]1CCC(C(N)=O)CC1	REAL300030066809	1	53	0.0	-75.01	418.83	-1.55	-76.56
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN(C)CCO	REAL300030066834	0	46	0.0	-63.74	369.18	-2.68	-66.42
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+](C)CCO	REAL300030066834	1	46	0.0	-64.20	368.96	-2.68	-66.88
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+](C)CCO	REAL300030066834	1	46	0.0	-64.20	368.96	-2.68	-66.88
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C=C1CC2CCC(C1)[NH+]2C	REAL300030066857	0	54	0.0	-68.22	413.25	2.87	-65.35
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@@H+]2CCN1CCC2	REAL300030066862	0	52	0.0	-71.84	390.76	-0.32	-72.16
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@H+]2CCN1CCC2	REAL300030066862	1	52	0.0	-74.74	387.07	-0.29	-75.03
CC[N@@H+]1CCCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2OC)C1	REAL300030066870	0	52	0.0	-61.01	397.15	2.39	-58.62
CC[N@H+]1CCCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2OC)C1	REAL300030066870	1	52	0.0	-61.04	396.16	2.40	-58.64
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC(C)C[NH+](C)C	REAL300030066872	0	51	0.0	-66.93	398.26	1.88	-65.05
CC[N@H+](C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL300030066888	0	45	0.0	-63.57	358.84	0.57	-63.00
CC[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL300030066888	1	45	0.0	-63.35	358.81	0.54	-62.81
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CCC[N@@H+]1CCCC2	REAL300030066916	0	53	0.0	-62.33	395.29	2.52	-59.81
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CCC[N@H+]1CCCC2	REAL300030066916	1	53	0.0	-60.64	390.98	2.71	-57.93
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CCC[N@@H+]1CC=CC2	REAL300030066925	0	51	0.0	-65.09	386.14	2.78	-62.31
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CCC[N@H+]1CC=CC2	REAL300030066925	1	51	0.0	-57.85	387.74	2.38	-55.47
CC[N@H+](CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC)C1CC1	REAL300030066950	0	49	0.0	-63.05	388.76	1.95	-61.10
CC[N@@H+](CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC)C1CC1	REAL300030066950	1	49	0.0	-63.77	386.54	1.89	-61.88
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1([NH+](C)C)CCCSC1	REAL300030066953	0	53	0.0	-69.56	402.95	2.44	-67.12
CC[NH+](CC)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL300030066975	0	51	0.0	-67.45	393.82	1.57	-65.88
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C=C1CC[NH+](C)CC1	REAL300030066992	0	50	0.0	-68.62	393.71	2.22	-66.40
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCCC[NH+]1CCCCC1	REAL300030067013	0	58	0.0	-66.99	448.08	3.89	-63.10
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+]1CCC(C)(O)C1	REAL300030067046	1	50	0.0	-63.61	397.11	-1.69	-65.30
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+]1CCC(C)(O)C1	REAL300030067046	1	50	0.0	-64.12	397.53	-1.71	-65.83
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C=CC[NH+](C)C	REAL300030067058	0	46	0.0	-70.42	376.18	1.15	-69.27
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)OCC[NH+](C)C	REAL300030067082	0	52	0.0	-67.91	414.97	1.72	-66.19
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCOCC[NH+](C)C	REAL300030067093	0	52	0.0	-66.93	417.03	0.72	-66.21
COCC[N@H+](C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL300030067094	1	49	0.0	-64.35	391.21	-0.29	-64.64
COCC[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL300030067094	1	49	0.0	-63.62	391.43	-0.27	-63.89
COCCCC[N@H+](C)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL300030067122	0	58	0.0	-72.18	457.03	1.71	-70.47
COCCCC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL300030067122	1	58	0.0	-72.30	457.00	1.74	-70.56
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1([NH+](C)C)CCCC1	REAL300030067147	0	52	0.0	-61.07	392.36	2.07	-59.00
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCC(C)[NH+](C)C	REAL300030067150	0	51	0.0	-68.73	393.87	1.66	-67.07
CC[N@@H+]1CCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL300030067160	1	46	0.0	-60.84	363.46	0.67	-60.17
CC[N@H+]1CCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL300030067160	1	46	0.0	-62.48	372.72	0.90	-61.58
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@@H+](C(C)C)C1	REAL300030067171	0	55	0.0	-61.63	412.89	2.92	-58.71
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@H+](C(C)C)C1	REAL300030067171	1	55	0.0	-60.12	412.83	2.90	-57.22
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+]1CCCC1CO	REAL300030067185	0	50	0.0	-61.53	387.00	-1.57	-63.10
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+]1CCCC1CO	REAL300030067185	1	50	0.0	-65.49	389.82	-2.01	-67.50
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300030067211	0	53	0.0	-62.97	408.81	2.56	-60.41
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC2CCCC[N@H+]2C1	REAL300030067211	1	53	0.0	-62.49	408.40	2.61	-59.88
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(C)CC[NH+](C)CC1	REAL300030067218	0	52	0.0	-67.98	398.34	1.97	-66.01
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC(C[NH+](C)C)=CN1	REAL300030067224	0	50	0.0	-71.88	406.60	1.25	-70.63
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)[NH+]1CCC(O)CC1	REAL300030067243	1	53	0.0	-62.02	412.01	-1.24	-63.26
C=CCC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC)[NH+](C)C	REAL300030067258	0	49	0.0	-59.61	384.78	1.37	-58.24
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC(C)(C)C[N@@H+]1C	REAL300030067276	0	52	0.0	-63.53	398.91	1.70	-61.83
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC(C)(C)C[N@H+]1C	REAL300030067276	1	52	0.0	-66.34	400.10	1.63	-64.71
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCCCC[NH+](C)C	REAL300030067281	0	54	0.0	-68.74	427.94	2.80	-65.94
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+]1CC2CC2C1	REAL300030067291	0	47	0.0	-63.19	376.84	1.77	-61.42
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@@H+]2CCN1C(C)C2	REAL300030067326	0	52	0.0	-68.51	393.17	-1.02	-69.53
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@H+]2CCN1C(C)C2	REAL300030067326	1	52	0.0	-73.28	393.16	-1.00	-74.28
CCCC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC)[NH+](C)C	REAL300030067327	0	51	0.0	-63.77	392.07	1.71	-62.06
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)(C)[NH+](C)C	REAL300030067332	0	48	0.0	-60.62	368.40	1.06	-59.56
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCCC[N@@H+]1C	REAL300030067382	0	49	0.0	-64.07	372.84	1.35	-62.72
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCCC[N@H+]1C	REAL300030067382	1	49	0.0	-65.37	372.86	1.33	-64.04
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1=CC[N@H+](C)CC1	REAL300030067432	0	50	0.0	-67.57	399.37	2.25	-65.32
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1=CC[N@@H+](C)CC1	REAL300030067432	1	50	0.0	-65.81	400.29	2.20	-63.61
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1([NH+]2CCCC2)CC1	REAL300030067442	0	53	0.0	-63.75	405.37	2.65	-61.10
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)(C)C1CCC[N@H+](C)C1	REAL300030067498	0	58	0.0	-70.62	422.58	2.60	-68.02
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)(C)C1CCC[N@@H+](C)C1	REAL300030067498	1	58	0.0	-70.62	422.58	2.60	-68.02
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=C(CN(C)C)O1	REAL300030067503	0	49	0.0	-71.25	405.63	1.69	-69.56
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=C(C[NH+](C)C)O1	REAL300030067503	1	49	0.0	-71.25	405.63	1.69	-69.56
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C=CC[NH+]1CCCC1	REAL300030067525	0	50	0.0	-67.00	402.02	2.23	-64.77
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[NH+](C2CC2)CC1	REAL300030067552	0	53	0.0	-63.41	408.46	2.66	-60.75
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[NH+]1CCCC1	REAL300030067577	0	49	0.0	-67.48	387.52	1.58	-65.90
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CC(C1)CN2C	REAL300030067633	0	47	0.0	-64.15	370.53	1.25	-62.90
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CC(C1)C[N@@H+]2C	REAL300030067633	1	47	0.0	-63.82	371.84	1.10	-62.72
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CC(C1)C[N@H+]2C	REAL300030067633	1	47	0.0	-63.82	371.84	1.10	-62.72
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+]1CC2CCC1C2	REAL300030067648	0	50	0.0	-60.60	385.39	1.82	-58.78
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1CC[NH+](C(C)C)CC1	REAL300030067660	0	58	0.0	-62.84	438.66	3.46	-59.38
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C=C1C[NH+]2CCC1CC2	REAL300030067710	0	51	0.0	-65.75	396.53	2.33	-63.42
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)C[NH+](C)C	REAL300030067785	0	48	0.0	-65.47	379.54	1.17	-64.30
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1CCCC[N@@H+]1C	REAL300030067881	0	52	0.0	-62.25	392.01	1.98	-60.27
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1CCCC[N@H+]1C	REAL300030067881	1	52	0.0	-57.26	392.82	1.94	-55.32
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC2=C(C)[NH+]=CN2C=C1	REAL300030067903	1	47	0.0	-67.06	393.47	3.97	-63.09
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)[NH+]1CC(C)C1	REAL300030067904	1	49	0.0	-60.95	389.10	1.63	-59.32
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+]1CCC1C	REAL300030067908	1	46	0.0	-64.84	371.49	1.02	-63.82
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+]1CCC1C	REAL300030067908	1	46	0.0	-64.42	365.97	0.75	-63.67
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC(O)C[NH+](C)C	REAL300030067913	0	49	0.0	-69.57	393.71	-1.08	-70.65
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@H+](C)CC(C)O1	REAL300030067949	1	50	0.0	-75.92	398.80	1.10	-74.82
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@@H+](C)CC(C)O1	REAL300030067949	1	50	0.0	-73.45	392.43	0.64	-72.81
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[NH+]1CCC(O)CC1	REAL300030067961	0	53	0.0	-68.01	416.20	-1.04	-69.05
CCC[N@@H+]1CCCCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL300030067964	0	55	0.0	-58.57	422.38	2.88	-55.69
CCC[N@H+]1CCCCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL300030067964	1	55	0.0	-63.10	412.06	2.76	-60.34
CC[NH+]1CCN(CCC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2OC)CC1	REAL300030067969	0	57	0.0	-68.10	438.56	0.40	-67.70
CCN1CC[NH+](CCC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2OC)CC1	REAL300030067969	1	57	0.0	-68.49	438.84	0.59	-67.90
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300030067972	0	56	0.0	-66.51	410.57	2.66	-63.85
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300030067972	1	56	0.0	-62.41	414.92	3.41	-59.00
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[NH+](CC(C)C)CC1	REAL300030068017	0	58	0.0	-67.42	442.52	3.67	-63.75
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1CCC([NH+](C)C)CC1	REAL300030068042	0	57	0.0	-67.83	434.45	0.60	-67.23
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300030068063	0	49	0.0	-66.22	389.74	1.65	-64.57
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)CC[NH+](C)C	REAL300030068071	0	51	0.0	-68.63	400.21	1.81	-66.82
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300030068104	0	53	0.0	-62.00	411.91	-0.73	-62.73
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O	REAL300030068104	1	53	0.0	-64.45	411.26	-0.88	-65.33
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1CC[NH+](C)CC1	REAL300030068119	1	51	0.0	-67.67	399.19	-0.56	-68.23
CC[NH+]1CCN(CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2OC)CC1	REAL300030068128	0	54	0.0	-65.19	417.87	0.07	-65.12
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CSC(N)=[NH2+]	REAL300030068159	0	40	0.0	-67.68	348.12	-3.12	-70.80
CC[N@@H+]1CCOCC1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1OC	REAL300030068205	0	53	0.0	-66.24	408.92	0.36	-65.88
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(CC[NH+](C)C)CCCC1	REAL300030068224	0	58	0.0	-74.22	441.41	3.49	-70.73
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[NH+]1C(C)CCCC1C	REAL300030068226	0	58	0.0	-61.41	434.31	2.99	-58.42
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC([NH+](C)C)CC1	REAL300030068229	0	55	0.0	-69.39	419.92	2.73	-66.66
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(CC[NH+](C)C)CC1	REAL300030068230	0	52	0.0	-69.65	414.61	2.35	-67.30
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300030068234	0	55	0.0	-67.17	412.56	2.60	-64.57
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1CC=CC[N@@H+]1C	REAL300030068235	0	50	0.0	-60.13	386.43	1.89	-58.24
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1CC=CC[N@H+]1C	REAL300030068235	1	50	0.0	-60.13	386.43	1.89	-58.24
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@@H](C)OCC[NH+](C)C	REAL300030068264	0	52	0.0	-66.77	416.76	1.62	-65.15
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC2CCC(C1)[NH+]2C	REAL300030068298	0	53	0.0	-65.85	381.63	2.38	-63.47
CCC1C[NH+](CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2OC)C1	REAL300030068441	1	49	0.0	-67.21	392.74	1.80	-65.41
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[NH+](C2CCOCC2)C1	REAL300030068443	0	54	0.0	-68.28	423.94	0.90	-67.38
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1([NH+]2CCCC2)CCC1	REAL300030068445	0	53	0.0	-61.11	402.29	2.70	-58.41
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@@H]1CCC[N@H+]1C	REAL300030068456	1	46	0.0	-63.39	366.01	0.96	-62.43
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[N@H+]1CCC(F)C1	REAL300030068465	1	49	0.0	-69.73	395.30	1.71	-68.02
COC1C[N@@H+](C)C(C)(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2OC)C1	REAL300030068474	1	53	0.0	-68.38	410.53	0.38	-68.00
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[NH+]1CCCCCC1	REAL300030068487	0	55	0.0	-65.74	413.01	2.66	-63.08
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+]1CCCCC1	REAL300030068489	0	49	0.0	-65.72	381.89	1.79	-63.93
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@H+](C)C1C	REAL300030068499	0	49	0.0	-67.74	386.64	1.35	-66.39
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@@H+](C)C1C	REAL300030068499	1	49	0.0	-65.68	381.08	1.34	-64.34
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCC1CCCC[N@@H+]1C	REAL300030068501	0	55	0.0	-67.67	414.16	2.66	-65.01
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCC1CCCC[N@H+]1C	REAL300030068501	1	55	0.0	-69.60	414.16	2.66	-66.94
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@@H+]2CCOCC12	REAL300030068535	0	51	0.0	-70.51	399.12	0.20	-70.31
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@H+]2CCOCC12	REAL300030068535	1	51	0.0	-68.63	399.25	0.18	-68.45
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN2C(=C[NH+]=C2C)C=C1	REAL300030068543	0	47	0.0	-64.39	391.79	3.21	-61.18
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1COCCN1C	REAL300030068562	0	50	0.0	-72.30	390.90	-0.28	-72.58
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1COCC[N@@H+]1C	REAL300030068562	1	50	0.0	-71.61	390.79	-0.25	-71.86
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1COCC[N@H+]1C	REAL300030068562	1	50	0.0	-72.30	390.90	-0.28	-72.58
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCC1=[NH+]C(C)=C(C)N1	REAL300030068572	1	50	0.0	-60.31	411.31	1.17	-59.14
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@H+](CC(C)C)C1	REAL300030068587	0	58	0.0	-63.62	442.29	3.58	-60.04
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@@H+](CC(C)C)C1	REAL300030068587	1	58	0.0	-64.63	442.50	3.61	-61.02
CO[C@@H]1CN(C(=O)C2CCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030068754	1	46	0.0	-66.26	362.62	0.50	-65.76
CO[C@@H]1CN(C(=O)C2CN(C)CCO2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030068780	0	47	0.0	-71.00	376.24	0.34	-70.66
CO[C@@H]1CN(C(=O)C2C[N@H+](C)CCO2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030068780	1	47	0.0	-60.90	368.88	0.14	-60.76
CO[C@@H]1CN(C(=O)C2C[N@@H+](C)CCO2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030068780	1	47	0.0	-71.00	376.24	0.34	-70.66
CO[C@@H]1CN(C(=O)CCCN2C=C[NH+]=C2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030068949	1	50	0.0	-70.90	414.10	2.96	-67.94
CO[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030068953	1	56	0.0	-78.29	441.40	1.67	-76.62
CO[C@@H]1CN(C(=O)C2=CC=C(C[NH+](C)C)C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030068959	0	52	0.0	-74.01	415.90	3.06	-70.95
CO[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030068960	1	50	0.0	-77.86	398.41	0.08	-77.78
CCC[NH+](CCC)CCCC(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030068983	0	60	0.0	-73.11	466.56	4.27	-68.84
CO[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030068999	0	50	0.0	-67.34	379.93	1.40	-65.94
CO[C@@H]1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030069017	1	44	0.0	-70.21	367.92	3.10	-67.11
CO[C@@H]1CN(C(=O)C2CCCC([NH+](C)C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030069089	0	55	0.0	-72.03	422.10	2.73	-69.30
CO[C@@H]1CN(C(=O)CC2CC[N@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030069093	0	49	0.0	-74.58	391.16	1.64	-72.94
CO[C@@H]1CN(C(=O)CC2CC[N@@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030069093	1	49	0.0	-75.13	389.89	1.63	-73.50
CO[C@@H]1CN(C(=O)C2=C[NH+]=CC=C2N(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030069106	0	48	0.0	-83.32	393.94	-0.08	-83.40
CCC(C(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030069112	0	48	0.0	-66.88	371.99	1.04	-65.84
CO[C@@H]1CN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030069121	1	47	0.0	-85.47	400.65	1.61	-83.86
CO[C@@H]1CN(C(=O)C2CCC3CC(C)C[N@@H+]3C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030069168	0	56	0.0	-59.01	430.99	3.20	-55.81
CO[C@@H]1CN(C(=O)C2CCC3CC(C)C[N@H+]3C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030069168	1	56	0.0	-71.35	430.28	3.19	-68.16
CO[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030069198	0	51	0.0	-75.36	409.37	2.18	-73.18
CO[C@@H]1CN(C(=O)C(C(C)C)[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030069221	0	51	0.0	-65.84	387.52	1.55	-64.29
CCC[N@H+](C)CCC(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030069223	0	51	0.0	-75.89	404.76	2.02	-73.87
CCC[N@@H+](C)CCC(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030069223	1	51	0.0	-75.74	404.73	2.00	-73.74
CCC[N@H+](C)CC(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030069229	0	48	0.0	-70.51	383.24	1.45	-69.06
CCC[N@@H+](C)CC(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030069229	1	48	0.0	-72.66	382.36	1.46	-71.20
CO[C@@H]1CN(C(=O)C23CC[N@H+](C2)CCC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030069258	0	50	0.0	-69.79	376.56	0.93	-68.86
CO[C@@H]1CN(C(=O)C23CC[N@@H+](C2)CCC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030069258	1	50	0.0	-75.80	376.14	0.88	-74.92
CCCCCC[N@H+](C)CC(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030069302	0	57	0.0	-73.82	446.88	3.80	-70.02
CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030069302	1	57	0.0	-71.82	447.73	3.79	-68.03
CC[NH+](CC)C(C(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300030069310	0	57	0.0	-65.97	409.83	2.02	-63.95
CO[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030069349	0	52	0.0	-71.06	406.62	2.51	-68.55
CO[C@@H]1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030069377	1	47	0.0	-79.61	397.10	1.05	-78.56
CO[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030069386	0	53	0.0	-79.74	423.11	2.19	-77.55
CO[C@@H]1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030069452	0	53	0.0	-70.44	407.40	2.58	-67.86
CO[C@@H]1CN(C(=O)C2CC3CCCC[N@H+]3C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030069452	1	53	0.0	-67.97	407.36	2.62	-65.35
CO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030069465	0	49	0.0	-69.24	391.74	1.60	-67.64
CO[C@@H]1CN(C(=O)C2CCC3=C[NH+]=C(C)N3C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030069466	1	51	0.0	-67.02	411.78	2.64	-64.38
CO[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030069478	0	55	0.0	-72.44	422.01	2.73	-69.71
CC[N@H+](C)CCC(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030069511	0	48	0.0	-75.18	383.29	1.28	-73.90
CC[N@@H+](C)CCC(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030069511	1	48	0.0	-75.03	383.25	1.25	-73.78
CO[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030069542	0	55	0.0	-66.67	405.12	2.40	-64.27
CO[C@@H]1CN(C(=O)C2C[NH+]3CCC2CC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030069560	0	50	0.0	-73.46	380.99	1.57	-71.89
CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030069651	0	49	0.0	-74.74	387.68	1.55	-73.19
CO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030069672	0	51	0.0	-66.11	387.90	1.52	-64.59
CO[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030069757	0	56	0.0	-73.70	434.25	3.52	-70.18
CC[NH+](CC)CC(F)C(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030069802	0	51	0.0	-75.35	400.83	1.72	-73.63
CO[C@@H]1CN(C(=O)C2=C(C[NH+](C)C)C=CS2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030069803	0	49	0.0	-63.95	403.60	2.18	-61.77
CO[C@@H]1CN(C(=O)C2CC[N@H+](CC(C)C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030069845	0	55	0.0	-72.48	424.57	2.78	-69.70
CO[C@@H]1CN(C(=O)C2CC[N@@H+](CC(C)C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030069845	1	55	0.0	-72.00	425.64	2.90	-69.10
CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030069849	0	49	0.0	-67.16	370.86	0.95	-66.21
CCC(C(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030069884	0	54	0.0	-66.58	406.15	2.17	-64.41
CO[C@@H]1CN(C(=O)C[N@@H+]2CCCC2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030069912	0	49	0.0	-67.81	388.95	1.68	-66.13
CO[C@@H]1CN(C(=O)C[N@H+]2CCCC2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030069912	1	49	0.0	-67.65	389.40	1.84	-65.81
CO[C@@H]1CN(C(=O)CCN2C=C[NH+]=C2C(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030069996	1	53	0.0	-67.87	428.60	3.21	-64.66
CO[C@@H]1CN(C(=O)C(C)[NH+]2CCCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070003	0	55	0.0	-67.33	404.44	2.43	-64.90
CO[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070005	0	55	0.0	-62.39	414.77	2.45	-59.94
CO[C@@H]1CN(C(=O)C2CCCC[N@H+]2C(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070005	1	55	0.0	-66.90	414.44	2.45	-64.45
CO[C@@H]1CN(C(=O)C2CCC[N@@H+]2C(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070035	0	52	0.0	-67.23	403.16	1.94	-65.29
CO[C@@H]1CN(C(=O)C2CCC[N@H+]2C(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070035	1	52	0.0	-65.72	397.19	1.85	-63.87
CO[C@@H]1CN(C(=O)C(CN2C=CC=N2)[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070041	1	52	0.0	-78.14	413.19	1.73	-76.41
CO[C@@H]1CN(C(=O)CC2CCC[N@@H+]2C(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070046	0	55	0.0	-71.84	422.78	2.70	-69.14
CO[C@@H]1CN(C(=O)CC2CCC[N@H+]2C(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070046	1	55	0.0	-62.61	412.60	2.61	-60.00
CO[C@@H]1CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070047	0	56	0.0	-72.02	418.55	3.64	-68.38
CO[C@@H]1CN(C(=O)C2CCC[N@H+]2C2CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070047	1	56	0.0	-70.59	417.35	3.51	-67.08
CO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070068	0	51	0.0	-70.08	387.08	1.49	-68.59
CO[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070097	0	49	0.0	-71.31	388.44	1.72	-69.59
CO[C@@H]1CN(C(=O)C[N@H+]2CCC(C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070097	1	49	0.0	-71.76	388.47	1.71	-70.05
CO[C@@H]1CN(C(=O)C2(F)CC[N@@H+](C(C)(C)C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070098	0	55	0.0	-64.81	420.96	2.16	-62.65
CO[C@@H]1CN(C(=O)C2(F)CC[N@H+](C(C)(C)C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070098	1	55	0.0	-69.72	420.44	2.15	-67.57
CO[C@@H]1CN(C(=O)C2CCN3C(=C[NH+]=C3C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070100	1	51	0.0	-70.70	412.43	2.66	-68.04
CO[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070103	0	52	0.0	-70.05	409.43	2.27	-67.78
CO[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070103	1	52	0.0	-71.62	408.11	2.29	-69.33
CO[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070104	0	54	0.0	-72.56	412.93	2.58	-69.98
CO[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070104	1	54	0.0	-70.22	411.84	2.44	-67.78
CC[C@@H](C(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030070115	0	48	0.0	-69.99	370.06	0.92	-69.07
CO[C@@H]1CN(C(=O)COCC(C)[NH+]2CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070123	0	56	0.0	-70.49	441.77	2.85	-67.64
CO[C@@H]1CN(C(=O)CCN(C)C2=CC=[NH+]C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070276	0	51	0.0	-68.83	417.92	1.72	-67.11
CO[C@@H]1CN(C(=O)CN2C=C[NH+]=C2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070391	1	44	0.0	-68.55	372.56	1.63	-66.92
CO[C@@H]1CN(C(=O)C(C)C[NH+]2CCOCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070393	0	53	0.0	-75.82	410.22	0.48	-75.34
CO[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070415	0	55	0.0	-73.03	429.51	3.27	-69.76
CO[C@@H]1CN(C(=O)C2=NOC(C[NH+](C)C)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070436	1	48	0.0	-78.90	398.30	1.22	-77.68
CO[C@@H]1CN(C(=O)C2=C(C)N3C=[NH+]C=C3C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070438	0	47	0.0	-78.11	395.73	3.67	-74.44
CO[C@@H]1CN(C(=O)CN2C=C[NH+]=C2C(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070483	1	50	0.0	-66.02	409.79	2.75	-63.27
CO[C@@H]1CN(C(=O)C2CCCC3CCC[N@@H+]32)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070533	0	53	0.0	-62.25	408.43	2.68	-59.57
CO[C@@H]1CN(C(=O)C2CCCC3CCC[N@H+]32)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070533	1	53	0.0	-65.71	403.45	2.58	-63.13
CC[N@@H+]1CCOC(C(=O)N2C[C@@H](OC)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030070566	1	50	0.0	-80.35	393.73	0.97	-79.38
CC[N@H+]1CCOC(C(=O)N2C[C@@H](OC)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030070566	1	50	0.0	-84.21	394.08	0.93	-83.28
CO[C@@H]1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070635	0	44	0.0	-64.26	378.32	3.45	-60.81
CO[C@@H]1CN(C(=O)CN2C=[NH+]C=C2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070640	1	44	0.0	-71.87	373.76	2.36	-69.51
CO[C@@H]1CN(C(=O)C2=CN(CC[NH+](C)C)N=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070644	0	52	0.0	-79.79	422.11	1.11	-78.68
CO[C@@H]1CN(C(=O)C2=NN(CC[NH+](C)C)C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070658	0	52	0.0	-85.75	425.65	1.67	-84.08
CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070664	0	49	0.0	-79.24	379.27	0.97	-78.27
CO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070664	1	49	0.0	-75.17	384.46	1.58	-73.59
CCC1=[NH+]C=CN1C(C)CC(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030070667	1	53	0.0	-66.65	429.97	3.26	-63.39
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](OC)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030070670	0	52	0.0	-75.91	395.80	1.52	-74.39
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](OC)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030070670	1	52	0.0	-73.76	400.01	2.01	-71.75
CO[C@@H]1CN(C(=O)C[NH+]2C(C)CCC2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070690	0	52	0.0	-70.80	390.60	1.63	-69.17
CO[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070697	0	52	0.0	-72.71	413.83	2.58	-70.13
CO[C@@H]1CN(C(=O)C2=CC=CC(C[NH+](C)C)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070698	0	52	0.0	-75.41	417.76	3.11	-72.30
C#CC[NH+]1CCC(C(=O)N2C[C@@H](OC)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030070706	0	51	0.0	-77.22	412.85	2.76	-74.46
CO[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070707	0	52	0.0	-74.34	407.14	2.48	-71.86
CO[C@@H]1CN(C(=O)C2=CC=CC=C2C[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070712	0	52	0.0	-68.66	415.17	3.18	-65.48
CC[N@@H+]1CCCCC1C(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030070721	0	52	0.0	-67.34	394.20	1.93	-65.41
CC[N@H+]1CCCCC1C(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030070721	1	52	0.0	-64.66	401.90	2.19	-62.47
CO[C@@H]1CN(C(=O)C(C(C)C)[NH+]2CCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070722	0	58	0.0	-70.45	429.02	3.79	-66.66
CO[C@@H]1CN(C(=O)C(C2=CC=CC=C2)[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070725	1	52	0.0	-64.41	411.77	3.21	-61.20
CO[C@@H]1CN(C(=O)CN2C=[NH+]C3=C2CCCC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070731	1	51	0.0	-72.57	414.75	4.07	-68.50
CO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070774	0	58	0.0	-62.88	421.45	2.78	-60.10
CO[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070780	0	58	0.0	-75.69	441.60	3.65	-72.04
CO[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070780	1	58	0.0	-76.24	441.61	3.67	-72.57
CO[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070782	0	55	0.0	-76.95	406.97	2.49	-74.46
CO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071005	0	49	0.0	-68.94	390.11	2.01	-66.93
CO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071005	1	49	0.0	-69.98	389.37	1.99	-67.99
CO[C@@H]1CN(C(=O)C(C)[NH+]2C(C)CCC2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071036	0	55	0.0	-66.85	411.15	2.24	-64.61
CO[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071053	0	55	0.0	-73.85	435.33	3.36	-70.49
CO[C@@H]1CN(C(=O)C[N@H+](C)CC2=CC=CC=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071055	1	52	0.0	-75.21	420.68	3.62	-71.59
CO[C@@H]1CN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071055	1	52	0.0	-74.73	420.66	3.62	-71.11
CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071070	0	49	0.0	-74.74	387.68	1.55	-73.19
CO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071135	0	46	0.0	-68.69	363.76	0.84	-67.85
CO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071135	1	46	0.0	-66.56	362.58	0.51	-66.05
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030071159	1	48	0.0	-70.72	388.34	1.74	-68.98
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030071159	1	48	0.0	-69.86	392.29	2.11	-67.75
CO[C@@H]1CN(C(=O)CCC2CCC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071168	0	52	0.0	-73.87	407.55	2.37	-71.50
CO[C@@H]1CN(C(=O)CCC2CCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071168	1	52	0.0	-72.47	405.04	2.08	-70.39
CO[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071180	0	53	0.0	-72.98	390.56	1.72	-71.26
CO[C@@H]1CN(C(=O)C2CCC3CCCC[N@@H+]32)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071188	0	53	0.0	-69.24	404.33	2.45	-66.79
CO[C@@H]1CN(C(=O)C2CCC3CCCC[N@H+]32)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071188	1	53	0.0	-64.55	403.47	2.44	-62.11
CCC[N@@H+]1CCCC(C(=O)N2C[C@@H](OC)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030071280	0	55	0.0	-71.43	426.71	2.92	-68.51
CCC[N@H+]1CCCC(C(=O)N2C[C@@H](OC)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030071280	1	55	0.0	-73.30	426.87	2.91	-70.39
CO[C@@H]1CN(C(=O)C2C[N@@H+](C(C)C)CCO2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071302	1	53	0.0	-70.81	403.74	1.25	-69.56
CO[C@@H]1CN(C(=O)C2C[N@H+](C(C)C)CCO2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071302	1	53	0.0	-59.49	403.49	1.30	-58.19
CO[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071321	0	56	0.0	-69.36	414.25	0.59	-68.77
CO[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071341	0	49	0.0	-66.14	382.87	1.52	-64.62
CO[C@@H]1CN(C(=O)C2CCCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071341	1	49	0.0	-70.33	383.62	1.57	-68.76
CO[C@@H]1CN(C(=O)C2CCC[N@@H+]2CC(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071372	0	55	0.0	-68.98	423.59	3.06	-65.92
CO[C@@H]1CN(C(=O)C2CCC[N@H+]2CC(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071372	1	55	0.0	-68.62	420.72	2.63	-65.99
CO[C@@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071393	0	53	0.0	-73.35	417.46	-0.81	-74.16
CO[C@@H]1CN(C(=O)C=C2CC3CCC(C2)[NH+]3C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071430	0	54	0.0	-73.11	415.33	2.96	-70.15
CO[C@@H]1CN(C(=O)C2CC[N@H+](C)C2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071449	0	49	0.0	-73.08	381.38	1.05	-72.03
CO[C@@H]1CN(C(=O)C2CC[N@@H+](C)C2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071449	1	49	0.0	-76.03	384.51	1.62	-74.41
CO[C@@H]1CN(C(=O)CCC2CCCC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071452	0	55	0.0	-78.91	417.10	2.77	-76.14
CO[C@@H]1CN(C(=O)CCC2CCCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071452	1	55	0.0	-71.98	425.09	2.96	-69.02
CO[C@@H]1CN(C(=O)C2=CC3=C(CCC3)[NH+]=C2N)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071490	1	49	0.0	-65.14	397.50	0.73	-64.41
CO[C@@H]1CN(C(=O)C2CC[N@@H+]2C(C)(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071572	0	52	0.0	-68.42	385.69	0.96	-67.46
CO[C@@H]1CN(C(=O)C2CC[N@H+]2C(C)(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071572	1	52	0.0	-69.16	389.61	0.77	-68.39
CO[C@@H]1CN(C(=O)[C@H](C)[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071596	0	45	0.0	-70.28	360.79	0.37	-69.91
CO[C@@H]1CN(C(=O)C2=CC=NC(C[NH+](C)C)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071616	1	51	0.0	-84.56	412.12	1.20	-83.36
C=CCC(C)(C(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030071622	0	52	0.0	-71.29	385.58	2.01	-69.28
CO[C@@H]1CN(C(=O)C2=C(N)C3=CC=CC=C3[NH+]=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071653	1	48	0.0	-68.15	395.28	0.15	-68.00
CO[C@@H]1CN(C(=O)CC[NH+]2CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071657	0	49	0.0	-72.83	391.40	1.71	-71.12
CO[C@@H]1CN(C(=O)C[N@H+](C)CCO)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071667	1	46	0.0	-72.38	372.09	-2.55	-74.93
CO[C@@H]1CN(C(=O)C[N@@H+](C)CCO)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071667	1	46	0.0	-72.55	371.03	-2.52	-75.07
CO[C@@H]1CN(C(=O)C2C[N@@H+]3CCN2CCC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071712	0	52	0.0	-85.98	385.44	-0.54	-86.52
CO[C@@H]1CN(C(=O)C2C[N@H+]3CCN2CCC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071712	1	52	0.0	-79.53	386.42	-0.52	-80.05
CO[C@@H]1CN(C(=O)C(C)[NH+]2CCSCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071743	1	50	0.0	-73.83	394.19	1.67	-72.16
CO[C@@H]1CN(C(=O)CC2=CC[N@H+](C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071791	0	50	0.0	-72.26	402.24	2.39	-69.87
CO[C@@H]1CN(C(=O)CC2=CC[N@@H+](C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071791	1	50	0.0	-68.92	403.16	2.38	-66.54
CO[C@@H]1CN(C(=O)C(O)CC[S+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071808	0	48	0.0	-75.61	403.65	-0.53	-76.14
CO[C@@H]1CN(C(=O)C2(C)CC(O)C[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071832	0	50	0.0	-67.23	385.22	-2.51	-69.74
CO[C@@H]1CN(C(=O)C2(C)CC(O)C[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071832	1	50	0.0	-68.21	381.08	-2.27	-70.48
CO[C@@H]1CN(C(=O)C2CN(C)CC[N@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071848	0	54	0.0	-69.86	413.86	-0.11	-69.97
CO[C@@H]1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071848	1	54	0.0	-81.00	414.25	-0.08	-81.08
CO[C@@H]1CN(C(=O)C(C)[N@@H+]2CCCC(O)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071849	0	53	0.0	-70.09	412.79	-1.19	-71.28
CO[C@@H]1CN(C(=O)C(C)[N@H+]2CCCC(O)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071849	1	53	0.0	-69.56	412.72	-1.18	-70.74
CO[C@@H]1CN(C(=O)C2=C(N)[NH+]=CC3=C2CCC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071883	0	49	0.0	-65.76	404.59	0.86	-64.90
CO[C@@H]1CN(C(=O)CC2(O)CCC[N@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071890	0	53	0.0	-73.09	400.84	0.34	-72.75
CO[C@@H]1CN(C(=O)CC2(O)CCC[N@@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071890	1	53	0.0	-64.02	404.60	0.22	-63.80
CO[C@@H]1CN(C(=O)C[NH+]2CC(C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071897	1	46	0.0	-71.09	375.31	1.14	-69.95
CC[N@@H+]1CCCC(C(=O)N2C[C@@H](OC)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030071905	0	52	0.0	-69.08	406.09	2.20	-66.88
CC[N@H+]1CCCC(C(=O)N2C[C@@H](OC)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030071905	1	52	0.0	-72.89	401.01	2.04	-70.85
CO[C@@H]1CN(C(=O)CC2=CC=C[NH+]=C2N)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071915	0	45	0.0	-65.27	378.27	-0.17	-65.44
CO[C@@H]1CN(C(=O)C2CCC[N@@H+]2C2CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071930	0	50	0.0	-65.89	397.33	2.32	-63.57
CO[C@@H]1CN(C(=O)C2CCC[N@H+]2C2CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071930	1	50	0.0	-66.34	393.16	1.83	-64.51
CO[C@@H]1CN(C(=O)C=CC[NH+]2CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071983	0	50	0.0	-77.30	403.08	2.35	-74.95
CO[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072012	0	53	0.0	-71.97	416.94	2.96	-69.01
CC[N@H+](C)CC(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030072065	0	45	0.0	-72.35	360.87	0.71	-71.64
CO[C@@H]1CN(C(=O)CN2CC3C=CC2C3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072132	0	48	0.0	-70.63	382.52	1.99	-68.64
CO[C@@H]1CN(C(=O)C[N@@H+]2CC3C=CC2C3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072132	1	48	0.0	-68.18	382.96	1.88	-66.30
CO[C@@H]1CN(C(=O)C[N@H+]2CC3C=CC2C3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072132	1	48	0.0	-68.18	382.96	1.88	-66.30
CO[C@@H]1CN(C(=O)CCNC2=CC=C(C)C=N2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072157	0	51	0.0	-69.51	422.04	1.45	-68.06
CO[C@@H]1CN(C(=O)CCNC2=CC=C(C)C=[NH+]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072157	1	51	0.0	-69.51	422.04	1.45	-68.06
CO[C@@H]1CN(C(=O)C23CCC[N@@H+]2CCCC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072290	0	53	0.0	-67.38	391.74	2.00	-65.38
CO[C@@H]1CN(C(=O)C23CCC[N@H+]2CCCC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072290	1	53	0.0	-67.38	391.74	2.00	-65.38
CO[C@@H]1CN(C(=O)C23CCC[N@@H+]2CC=CC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072301	0	51	0.0	-67.77	385.22	1.75	-66.02
CO[C@@H]1CN(C(=O)C23CCC[N@H+]2CC=CC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072301	1	51	0.0	-67.77	385.22	1.75	-66.02
CO[C@@H]1CN(C(=O)C(C)OCC[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072313	0	52	0.0	-67.98	415.11	1.67	-66.31
CO[C@@H]1CN(C(=O)CCOCC[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072325	0	52	0.0	-74.39	419.99	0.85	-73.54
COCCN(C)CC(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030072327	0	49	0.0	-69.90	394.09	-0.13	-70.03
COCC[N@H+](C)CC(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030072327	1	49	0.0	-72.59	394.34	-0.15	-72.74
COCC[N@@H+](C)CC(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030072327	1	49	0.0	-72.59	394.34	-0.15	-72.74
CO[C@@H]1CN(C(=O)CCC(C)[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072334	0	51	0.0	-76.14	396.50	1.78	-74.36
CC[N@H+](CC(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030072370	0	49	0.0	-71.37	384.50	1.93	-69.44
CO[C@@H]1CN(C(=O)C2C[N@@H+]3CCN2C(C)C3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072390	0	52	0.0	-74.42	392.69	-1.28	-75.70
CO[C@@H]1CN(C(=O)C23CC(C2)C[N@@H+]3C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072425	0	47	0.0	-67.39	370.41	1.12	-66.27
CO[C@@H]1CN(C(=O)C=CC2=CC=C(N)N=C2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072435	0	49	0.0	-72.62	408.27	0.67	-71.95
CO[C@@H]1CN(C(=O)C=CC2=CC=C(N)[NH+]=C2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072435	1	49	0.0	-72.62	408.27	0.67	-71.95
CO[C@@H]1CN(C(=O)C[N@@H+]2CC3CCC2C3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072444	0	50	0.0	-70.14	387.05	1.93	-68.21
CO[C@@H]1CN(C(=O)C[N@H+]2CC3CCC2C3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072444	1	50	0.0	-70.14	387.05	1.93	-68.21
CO[C@@H]1CN(C(=O)CC2CC[NH+](C(C)C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072460	0	58	0.0	-70.01	441.53	3.62	-66.39
CO[C@@H]1CN(C(=O)C(C)C[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072474	0	48	0.0	-71.43	382.88	1.17	-70.26
CCN1CCC1C(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030072535	0	46	0.0	-72.09	374.57	1.01	-71.08
CC[N@@H+]1CCC1C(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030072535	1	46	0.0	-72.02	373.77	1.00	-71.02
CC[N@H+]1CCC1C(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030072535	1	46	0.0	-72.02	373.77	1.00	-71.02
CO[C@@H]1CN(C(=O)C2CCC[N@@H+](C(C)C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072549	0	55	0.0	-62.01	421.91	2.69	-59.32
CO[C@@H]1CN(C(=O)C2CCC[N@H+](C(C)C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072549	1	55	0.0	-62.01	421.91	2.69	-59.32
CCC(C)(C)[NH2+]C(C)C(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030072571	0	54	0.0	-70.67	408.28	0.62	-70.05
C#CCN1CCCCC1C(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030072625	0	51	0.0	-70.90	397.09	2.28	-68.62
C#CC[N@H+]1CCCCC1C(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030072625	1	51	0.0	-69.90	400.76	2.51	-67.39
C#CC[N@@H+]1CCCCC1C(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030072625	1	51	0.0	-69.90	400.76	2.51	-67.39
CNC1=NC(C)=CC=C1C(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030072629	0	48	0.0	-64.83	393.43	0.61	-64.22
CNC1=[NH+]C(C)=CC=C1C(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030072629	1	48	0.0	-64.83	393.43	0.61	-64.22
CCCC(C(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030072642	0	51	0.0	-67.93	394.16	1.81	-66.12
CO[C@@H]1CN(C(=O)C(C)(C)[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072650	0	48	0.0	-75.41	362.62	0.59	-74.82
CO[C@@H]1CN(C(=O)C(C)CC[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072676	0	51	0.0	-65.56	403.79	1.79	-63.77
CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072736	0	56	0.0	-60.43	418.05	3.42	-57.01
CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072736	1	56	0.0	-60.43	418.05	3.42	-57.01
CO[C@@H]1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072773	0	51	0.0	-71.52	393.66	3.21	-68.31
COCCCC[N@H+](C)CCC(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030072818	0	58	0.0	-79.63	459.93	1.85	-77.78
COCCCC[N@@H+](C)CCC(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030072818	1	58	0.0	-79.63	459.93	1.85	-77.78
CO[C@@H]1CN(C(=O)C2CC(C)(C)C[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072830	0	52	0.0	-67.68	404.71	1.95	-65.73
CO[C@@H]1CN(C(=O)CCCCC[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072836	0	54	0.0	-74.82	430.87	2.96	-71.86
CO[C@@H]1CN(C(=O)CC[NH+]2CCC(O)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072841	0	53	0.0	-78.30	417.77	-0.88	-79.18
CCC[N@@H+]1CCCCC1C(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030072847	0	55	0.0	-68.40	415.14	2.70	-65.70
CCC[N@H+]1CCCCC1C(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030072847	1	55	0.0	-65.90	422.12	2.90	-63.00
CC[NH+]1CCN(CCC(=O)N2C[C@@H](OC)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030072857	0	57	0.0	-76.66	440.59	0.56	-76.10
CCN1CC[NH+](CCC(=O)N2C[C@@H](OC)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030072857	1	57	0.0	-75.83	441.75	0.72	-75.11
CO[C@@H]1CN(C(=O)CN2CC[NH+](C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072861	1	51	0.0	-74.35	402.11	-0.47	-74.82
CO[C@@H]1CN(C(=O)C2CC[NH+](CC(C)C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072995	0	58	0.0	-76.53	444.83	3.64	-72.89
CO[C@@H]1CN(C(=O)C2C[N@H+](C)CC(C)O2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072998	1	50	0.0	-87.59	390.26	0.60	-86.99
CO[C@@H]1CN(C(=O)C2C[N@@H+](C)CC(C)O2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072998	1	50	0.0	-83.04	390.31	0.62	-82.42
CCC1CCC[N@H+](CC(=O)N2C[C@@H](OC)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030073034	0	55	0.0	-70.62	424.97	3.14	-67.48
CCC1CCC[N@@H+](CC(=O)N2C[C@@H](OC)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030073034	1	55	0.0	-73.08	417.13	3.08	-70.00
CO[C@@H]1CN(C(=O)C2=CC=C(C[NH+](C)C)N2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073045	0	50	0.0	-83.77	405.08	1.59	-82.18
CO[C@@H]1CN(C(=O)C[NH+]2CC3CC3C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073068	0	47	0.0	-72.50	379.12	1.90	-70.60
CO[C@@H]1CN(C(=O)CC2([NH+]3CCCC3)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073087	0	53	0.0	-68.75	409.11	2.78	-65.97
CO[C@@H]1CN(C(=O)C(C)[NH2+]C2(CO)CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073105	0	56	0.0	-71.61	421.76	-2.16	-73.77
CO[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073138	0	49	0.0	-66.14	382.87	1.52	-64.62
CO[C@@H]1CN(C(=O)C2CCCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073138	1	49	0.0	-70.33	383.62	1.57	-68.76
CO[C@@H]1CN(C(=O)C2CCC[N@H+](CC(C)C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073151	0	58	0.0	-74.81	445.10	3.64	-71.17
CO[C@@H]1CN(C(=O)C2CCC[N@@H+](CC(C)C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073151	1	58	0.0	-70.77	444.17	3.60	-67.17
CO[C@@H]1CN(C(=O)CN2CCC([NH+](C)C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073217	0	57	0.0	-74.37	436.53	0.74	-73.63
CO[C@@H]1CN(C(=O)C=C2CC[N@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073291	0	47	0.0	-76.07	381.14	1.59	-74.48
CO[C@@H]1CN(C(=O)C=C2CC[N@@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073291	1	47	0.0	-75.93	381.14	1.56	-74.37
CO[C@@H]1CN(C(=O)CNC2=CC=[NH+]C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073297	0	45	0.0	-72.79	379.72	-0.70	-73.49
CC[NH+]1CCN(CC(=O)N2C[C@@H](OC)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030073367	0	54	0.0	-73.06	419.86	0.21	-72.85
CO[C@@H]1CN(C(=O)C=C2C[NH+]3CCC2CC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073370	0	51	0.0	-67.12	399.69	2.43	-64.69
CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073422	0	52	0.0	-79.60	386.71	2.18	-77.42
CO[C@@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073439	0	53	0.0	-69.76	413.74	-0.56	-70.32
CO[C@@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073439	1	53	0.0	-69.26	414.10	-0.74	-70.00
CCC1C[NH+](CC(=O)N2C[C@@H](OC)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030073447	1	49	0.0	-71.92	396.67	1.89	-70.03
CO[C@@H]1CN(C(=O)C2C[NH+](C3CCOCC3)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073451	0	54	0.0	-75.79	427.55	1.04	-74.75
CO[C@@H]1CN(C(=O)C2([NH+]3CCCC3)CCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073453	0	53	0.0	-69.96	401.91	2.28	-67.68
CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073469	0	46	0.0	-73.31	361.67	0.53	-72.78
CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073469	1	46	0.0	-70.05	366.97	0.90	-69.15
CC[N@@H+]1CCOCC1CC(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030073509	0	53	0.0	-77.81	411.59	0.56	-77.25
CO[C@@H]1CN(C(=O)C2C[NH+](C3CCCCC3)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073537	0	56	0.0	-75.76	434.79	3.37	-72.39
COC1C[N@@H+]2CCCC2(C(=O)N2C[C@@H](OC)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030073554	0	54	0.0	-66.63	413.20	0.35	-66.28
COC1C[N@H+]2CCCC2(C(=O)N2C[C@@H](OC)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030073554	1	54	0.0	-66.63	413.20	0.35	-66.28
CO[C@@H]1CN(C(=O)C2=CC=C3NC(N)=NC3=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073626	0	46	0.0	-65.66	381.90	0.79	-64.87
CO[C@@H]1CN(C(=O)C2=CC=C3NC(N)=[NH+]C3=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073626	1	46	0.0	-65.66	381.90	0.79	-64.87
CO[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073675	0	49	0.0	-72.04	392.19	1.75	-70.29
CO[C@@H]1CN(C(=O)C2(CC[NH+](C)C)CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073688	0	58	0.0	-67.41	435.70	3.16	-64.25
CO[C@@H]1CN(C(=O)CC[NH+]2C(C)CCCC2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073690	0	58	0.0	-70.19	434.22	3.11	-67.08
CO[C@@H]1CN(C(=O)C2CCC([NH+](C)C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073693	0	55	0.0	-78.41	422.76	2.75	-75.66
CO[C@@H]1CN(C(=O)C2(CC[NH+](C)C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073694	0	52	0.0	-68.11	414.20	2.38	-65.73
CO[C@@H]1CN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073699	0	55	0.0	-60.36	411.48	2.47	-57.89
CO[C@@H]1CN(C(=O)CC2CC=CC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073700	0	50	0.0	-60.79	390.19	2.04	-58.75
CO[C@@H]1CN(C(=O)CC2CC=CC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073700	1	50	0.0	-76.22	393.99	2.12	-74.10
CO[C@@H]1CN(C(=O)C=CC2=C[NH+]=C(N)C(C)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073763	1	49	0.0	-76.20	408.39	0.96	-75.24
CO[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073778	0	49	0.0	-70.39	399.91	1.11	-69.28
CCCCC[N@H+](C)CCC(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030073785	0	57	0.0	-76.92	447.73	3.58	-73.34
CCCCC[N@@H+](C)CCC(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030073785	1	57	0.0	-76.68	447.75	3.58	-73.10
CO[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073799	0	53	0.0	-74.78	418.65	1.86	-72.92
CO[C@@H]1CN(C(=O)CN2C=CSC2=[NH2+])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073830	0	42	0.0	-69.35	370.22	0.19	-69.16
CO[C@@H]1CN(C(=O)[C@@H](C)OCC[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073924	0	52	0.0	-67.26	414.85	1.64	-65.62
CO[C@@H]1CN(C(=O)CC[NH+]2CCCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073993	0	55	0.0	-75.33	418.01	2.67	-72.66
CO[C@@H]1CN(C(=O)C2CCC[N@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073999	0	49	0.0	-61.41	377.76	1.56	-59.85
CO[C@@H]1CN(C(=O)C2CCC[N@@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073999	1	49	0.0	-61.41	377.76	1.56	-59.85
CO[C@@H]1CN(C(=O)C[NH+]2CCCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074007	0	52	0.0	-71.03	394.08	2.07	-68.96
CO[C@@H]1CN(C(=O)C[N+]2=CN(C)C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074014	0	44	0.0	-67.36	375.24	3.54	-63.82
CO[C@@H]1CN(C(=O)C(C)(C)C2CCC[N@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074033	0	58	0.0	-81.63	418.54	2.07	-79.56
CO[C@@H]1CN(C(=O)C(C)(C)C2CCC[N@@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074033	1	58	0.0	-81.63	418.54	2.07	-79.56
CO[C@@H]1CN(C(=O)C2=CC=C(CN(C)C)O2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074039	0	49	0.0	-79.46	403.65	1.80	-77.66
CO[C@@H]1CN(C(=O)C2=CC=C(C[NH+](C)C)O2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074039	1	49	0.0	-79.46	403.65	1.80	-77.66
CO[C@@H]1CN(C(=O)CN2CCC(O)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074066	0	50	0.0	-75.78	397.20	-1.45	-77.23
CO[C@@H]1CN(C(=O)C[NH+]2CCC(O)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074066	1	50	0.0	-75.78	397.20	-1.45	-77.23
CO[C@@H]1CN(C(=O)C[N@H+](C)C2CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074072	0	46	0.0	-67.43	373.30	1.44	-65.99
CO[C@@H]1CN(C(=O)C(C)N2CCN(C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074074	0	54	0.0	-71.16	410.16	-0.48	-71.64
CO[C@@H]1CN(C(=O)C(C)N2CC[NH+](C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074074	1	54	0.0	-71.16	410.16	-0.48	-71.64
CO[C@@H]1CN(C(=O)CC[N@@H+]2CCC(F)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074078	0	49	0.0	-73.93	398.58	1.86	-72.07
COC1C[N@H+](C)C(C)(C(=O)N2C[C@@H](OC)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030074094	0	53	0.0	-68.19	404.27	0.19	-68.00
CO[C@@H]1CN(C(=O)CC(C)C[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074117	0	51	0.0	-73.62	401.19	2.05	-71.57
CO[C@@H]1CN(C(=O)C2CC[N@@H+]3CCOCC23)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074139	0	51	0.0	-69.47	394.37	0.17	-69.30
CO[C@@H]1CN(C(=O)C2CC[N@H+]3CCOCC23)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074139	1	51	0.0	-69.47	394.37	0.17	-69.30
CO[C@@H]1CN(C(=O)CC2COCCN2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074168	0	50	0.0	-63.21	387.13	-0.27	-63.48
CO[C@@H]1CN(C(=O)CC2COCC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074168	1	50	0.0	-69.72	387.16	-0.27	-69.99
CO[C@@H]1CN(C(=O)CC2COCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074168	1	50	0.0	-69.72	387.16	-0.27	-69.99
CO[C@@H]1CN(C(=O)C2=CN=C(N)C=C2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074250	0	45	0.0	-72.67	371.30	-0.74	-73.41
CO[C@@H]1CN(C(=O)C2=C[NH+]=C(N)C=C2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074250	1	45	0.0	-72.67	371.30	-0.74	-73.41
CO[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(O)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074311	0	50	0.0	-69.73	399.91	-1.56	-71.29
CO[C@@H]1CN(C(=O)C2=CC=NN2CC[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074319	0	52	0.0	-65.94	417.41	1.21	-64.73
CO[C@@H]1CN(C(=O)CC2C[NH+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074355	0	46	0.0	-75.58	374.64	0.88	-74.70
CO[C@@H]1CN(C(=O)C2CC[N@@H+]2C2CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074361	0	53	0.0	-72.75	413.34	2.80	-69.95
CO[C@@H]1CN(C(=O)CC[N@H+](C)CCO)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074416	0	49	0.0	-74.80	393.57	-1.96	-76.76
CO[C@@H]1CN(C(=O)CC[N@@H+](C)CCO)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074416	1	49	0.0	-74.80	393.57	-1.96	-76.76
CO[C@@H]1CN(C(=O)CC2CCCC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074442	0	52	0.0	-67.25	394.91	2.12	-65.13
CO[C@@H]1CN(C(=O)CC2CCCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074442	1	52	0.0	-67.25	394.91	2.12	-65.13
CO[C@@H]1CN(C(=O)C2=CC3=C(C)N=CN3C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074474	0	47	0.0	-75.49	400.11	4.00	-71.49
CO[C@@H]1CN(C(=O)C2=CC3=C(C)[NH+]=CN3C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074474	1	47	0.0	-75.49	400.11	4.00	-71.49
CO[C@@H]1CN(C(=O)C(C)N2CC(C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074475	0	49	0.0	-66.37	391.85	1.59	-64.78
CO[C@@H]1CN(C(=O)C(C)[NH+]2CC(C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074475	1	49	0.0	-66.37	391.85	1.59	-64.78
CO[C@@H]1CN(C(=O)CN2CCC2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074481	0	46	0.0	-70.32	375.31	1.09	-69.23
CO[C@@H]1CN(C(=O)C[N@@H+]2CCC2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074481	1	46	0.0	-68.29	369.72	0.82	-67.47
CO[C@@H]1CN(C(=O)C[N@H+]2CCC2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074481	1	46	0.0	-68.29	369.72	0.82	-67.47
CO[C@@H]1CN(C(=O)C=CC[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074501	0	46	0.0	-78.08	380.47	1.25	-76.83
CO[C@@H]1CN(C(=O)CN2CC(C)(C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074516	0	49	0.0	-72.69	393.58	1.60	-71.09
CO[C@@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074516	1	49	0.0	-72.69	393.58	1.60	-71.09
CO[C@@H]1CN(C(=O)CCCC[NH+]2CCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074530	0	58	0.0	-74.84	450.14	4.08	-70.76
CO[C@@H]1CN(C(=O)CCC2=NC(C)=C(C)N2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074544	0	50	0.0	-68.50	413.38	1.36	-67.14
CO[C@@H]1CN(C(=O)CCC2=[NH+]C(C)=C(C)N2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074544	1	50	0.0	-68.50	413.38	1.36	-67.14
CO[C@@H]1CN(C(=O)C2(C3CC[NH+](C)CC3)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074557	0	56	0.0	-79.43	428.75	3.18	-76.25
CO[C@@H]1CN(C(=O)C2=CC3=C(C)N=CN3C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074567	0	47	0.0	-75.49	400.11	4.00	-71.49
CO[C@@H]1CN(C(=O)C2=CC3=C(C)[NH+]=CN3C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074567	1	47	0.0	-75.49	400.11	4.00	-71.49
CO[C@@H]1CN(C(=O)CSCC[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074579	0	49	0.0	-78.83	410.93	1.98	-76.85
CO[C@@H]1CN(C(=O)C[N@@H+]2CCCC2CO)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074608	0	50	0.0	-69.15	397.40	-1.34	-70.49
CC[NH+](CC)CC(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030074611	0	48	0.0	-69.44	375.63	1.10	-68.34
CO[C@@H]1CN(C(=O)C[N@H+](C)C2CCSC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074622	0	50	0.0	-73.80	403.20	2.27	-71.53
CO[C@@H]1CN(C(=O)CN2CCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074624	0	43	0.0	-72.88	353.47	0.50	-72.38
CO[C@@H]1CN(C(=O)C[NH+]2CCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074624	1	43	0.0	-72.88	353.47	0.50	-72.38
CC[NH+](CC)CCC(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030074684	0	51	0.0	-74.21	396.74	1.72	-72.49
CO[C@@H]1CN(C(=O)C2CC3COCC[N@@H+]3C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074793	0	51	0.0	-74.30	398.27	0.18	-74.12
CO[C@@H]1CN(C(=O)C2CC3COCC[N@H+]3C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074793	1	51	0.0	-74.30	398.27	0.18	-74.12
CO[C@@H]1CN(C(=O)C(C)N2CCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074812	0	46	0.0	-60.35	372.02	0.90	-59.45
CO[C@@H]1CN(C(=O)C(C)[NH+]2CCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074812	1	46	0.0	-60.35	372.02	0.90	-59.45
CCC(CC(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030074823	0	54	0.0	-63.47	419.26	2.66	-60.81
CO[C@@H]1CN(C(=O)C(C)(C)C[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074832	0	51	0.0	-66.79	380.20	1.19	-65.60
CO[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074906	0	49	0.0	-65.36	384.35	1.57	-63.79
CO[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074906	1	49	0.0	-68.45	376.39	1.28	-67.17
CO[C@@H]1CN(C(=O)C2C[N@@H+]3CCN2CC3C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074923	0	52	0.0	-70.46	392.69	-1.33	-71.79
CO[C@@H]1CN(C(=O)C2C[N@H+]3CCN2CC3C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074923	1	52	0.0	-72.63	392.73	-1.36	-73.99
CO[C@@H]1CN(C(=O)CC(O)C[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074953	0	49	0.0	-77.78	396.51	-0.90	-78.68
CO[C@@H]1CN(C(=O)C2CC3CCC(C2)[NH+]3C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074956	0	53	0.0	-72.91	398.69	1.98	-70.93
C=CCC(C(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030075005	0	49	0.0	-67.76	386.67	1.54	-66.22
CO[C@@H]1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030075017	0	53	0.0	-70.44	407.40	2.58	-67.86
CO[C@@H]1CN(C(=O)C2CC3CCCC[N@H+]3C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030075017	1	53	0.0	-67.97	407.36	2.62	-65.35
CO[C@@H]1CN(C(=O)C2(C)CC[NH+](C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030075031	0	52	0.0	-75.18	390.66	1.54	-73.64
CO[C@@H]1CN(C(=O)CC2(O)CC[NH+](C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030075036	0	53	0.0	-74.07	413.95	0.42	-73.65
COCC[N@@H+]1CCCC1CC(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030075052	0	56	0.0	-74.01	432.93	1.40	-72.61
COCC[N@H+]1CCCC1CC(=O)N1C[C@@H](OC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030075052	1	56	0.0	-73.22	435.37	1.10	-72.12
CO[C@@H]1CN(C(=O)CC2CC3CCC(C2)[NH+]3C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030075066	0	56	0.0	-77.75	408.82	2.51	-75.24
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=NN1CC[NH+](C)C	REAL300030075106	0	52	0.0	-67.18	420.05	1.36	-65.82
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(C2CC[NH+](C)CC2)CC1	REAL300030075153	0	56	0.0	-63.51	428.48	3.60	-59.91
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC2=C(C)[NH+]=CN2C=C1	REAL300030075165	1	47	0.0	-67.06	393.47	3.97	-63.09
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CSCC[NH+](C)C	REAL300030075176	0	49	0.0	-72.33	407.09	1.86	-70.47
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC2COCC[N@@H+]2C1	REAL300030075188	0	51	0.0	-68.22	398.97	0.23	-67.99
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC2COCC[N@H+]2C1	REAL300030075188	1	51	0.0	-64.70	399.47	0.25	-64.45
CCC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075199	1	48	0.0	-71.47	358.18	4.19	-67.28
COCCC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075200	1	52	0.0	-73.10	394.31	3.09	-70.01
CC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075201	1	45	0.0	-72.62	340.46	3.32	-69.30
O=C(CC1CC1)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075206	1	52	0.0	-72.04	389.11	5.74	-66.30
CCCC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075212	1	51	0.0	-72.62	382.16	4.78	-67.84
CC(C)CC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075217	1	54	0.0	-70.81	396.41	5.55	-65.26
O=C(CC1CCCC1)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075221	1	58	0.0	-72.57	423.90	6.63	-65.94
CC(C)=CC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075226	1	52	0.0	-70.53	390.03	5.30	-65.23
CSCCC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075233	1	52	0.0	-72.68	405.38	5.25	-67.43
CC(C)CCC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075234	1	57	0.0	-72.98	421.23	6.20	-66.78
O=C(CC1C=CCC1)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075237	1	56	0.0	-72.32	416.60	6.47	-65.85
CCCCCC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075247	1	57	0.0	-72.81	425.16	6.47	-66.34
CC(C)(C)CC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075248	1	57	0.0	-69.18	411.15	6.20	-62.98
CCCCC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075251	1	54	0.0	-72.79	403.67	5.69	-67.10
CC(C)OCCC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075258	1	58	0.0	-72.65	436.44	4.80	-67.85
CCOCCCC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075263	1	58	0.0	-76.00	437.70	4.95	-71.05
O=C(CC1CCCO1)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075265	1	56	0.0	-72.29	414.52	5.31	-66.98
COCCCC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075267	1	55	0.0	-76.02	415.84	3.98	-72.04
CCSCCC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075268	1	55	0.0	-72.48	426.84	6.14	-66.34
CC(=CC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300030075275	1	56	0.0	-67.61	417.26	6.84	-60.77
CCC=C(C)C(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075278	1	55	0.0	-69.88	402.70	6.14	-63.74
O=C(CC(F)(F)F)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075281	1	48	0.0	-78.12	375.59	4.61	-73.51
COCCCCC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075288	1	58	0.0	-74.08	437.34	4.76	-69.32
CCCC(C)CC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075289	1	60	0.0	-72.21	438.57	6.93	-65.28
COC(C)CC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075290	1	55	0.0	-73.82	413.43	4.72	-69.10
C=CCCC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075291	1	52	0.0	-72.67	394.94	5.47	-67.20
O=C(N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=COCCC1	REAL300030075292	1	54	0.0	-70.59	397.90	4.76	-65.83
CCOCCC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075294	1	55	0.0	-72.98	416.17	4.05	-68.93
C[N@@H+]1CCCC1C(=O)N[C@H]1CCC[C@H]1N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075302	0	57	0.0	-60.38	413.00	3.84	-56.54
C[N@H+]1CCCC1C(=O)N[C@H]1CCC[C@H]1N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075302	1	57	0.0	-65.14	413.24	3.83	-61.31
CC(C)(C)C=CC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075304	1	58	0.0	-70.29	429.77	6.62	-63.67
O=C(CCC1CC1)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075307	1	55	0.0	-71.92	411.27	6.53	-65.39
O=C(CC1CCOC1)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075310	1	56	0.0	-74.39	412.36	4.26	-70.13
O=C(CC1CCC1)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075315	1	55	0.0	-71.63	406.07	6.26	-65.37
O=C(CCC1CCC1)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075320	1	58	0.0	-72.74	430.40	6.84	-65.90
CC=C(C)C(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075322	1	52	0.0	-71.88	389.01	5.44	-66.44
O=C(C=C1CCC1)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075325	1	53	0.0	-70.15	397.32	6.20	-63.95
CCC(=CC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)CC	REAL300030075326	1	58	0.0	-68.44	427.04	6.99	-61.45
O=C(N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CCCC1	REAL300030075328	1	53	0.0	-70.44	393.58	6.15	-64.29
CSC(C)CC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075337	1	55	0.0	-73.64	421.18	5.93	-67.71
C#CCCCCC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075339	1	56	0.0	-74.08	430.95	6.99	-67.09
CCNC(=O)CC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075340	1	55	0.0	-84.58	418.17	4.02	-80.56
COC(C)CCC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075341	1	58	0.0	-72.64	435.35	4.76	-67.88
O=C(N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CCOCC1	REAL300030075343	1	54	0.0	-74.64	403.33	4.29	-70.35
CCC(C)CC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075348	1	57	0.0	-72.18	417.07	6.17	-66.01
C#CCCCC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075349	1	53	0.0	-76.51	409.45	6.21	-70.30
CC(C)(O)CC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075350	1	55	0.0	-71.84	404.77	3.51	-68.33
CCC(C)=CC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075360	1	55	0.0	-69.00	408.87	6.28	-62.72
O=C(CC1(O)CCC1)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075363	1	56	0.0	-72.03	416.56	4.09	-67.94
CC(C(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)=C1CCC1	REAL300030075365	1	56	0.0	-69.53	411.51	6.85	-62.68
NC(=O)NCCC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075369	1	54	0.0	-85.58	414.36	-0.33	-85.91
C#CCOCCC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075371	1	54	0.0	-74.71	421.95	4.73	-69.98
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CC[N@H+]1CCC1C(=O)N[C@H]1CCC[C@H]1N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075649	1	57	0.0	-66.87	415.74	3.56	-63.31
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CC(C)[C@@H](O)CC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075707	1	58	0.0	-76.29	429.53	3.68	-72.61
CC(C[NH+](C)C)C(=O)N[C@H]1CCC[C@H]1N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075712	0	59	0.0	-69.74	434.11	4.27	-65.47
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CC1(C)C=C(C(=O)N[C@H]2CCC[C@H]2[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030075750	1	56	0.0	-68.72	420.68	6.79	-61.93
CC(=O)NCCC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075752	1	55	0.0	-84.75	421.44	2.45	-82.30
C=C(C)CC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075755	1	52	0.0	-73.41	395.11	5.33	-68.08
CC(C)=C(C)C(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075757	1	55	0.0	-68.45	399.38	6.14	-62.31
CCC(O)CC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075762	1	55	0.0	-75.84	412.97	3.07	-72.77
CC(Cl)=CC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075763	1	49	0.0	-72.24	383.72	5.33	-66.91
CC=CC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075764	1	49	0.0	-70.45	371.74	4.84	-65.61
CC1(C)CC1CC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075768	1	58	0.0	-71.97	429.12	6.88	-65.09
C=C(C)CCCC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075770	1	58	0.0	-73.78	437.83	6.91	-66.87
CNC(=O)CC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075776	1	52	0.0	-85.03	396.68	3.17	-81.86
C=CC=CCC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075777	1	53	0.0	-71.27	408.27	5.98	-65.29
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C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[C@H]1N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075779	1	57	0.0	-67.56	417.09	3.49	-64.07
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COC(C)(C)CC(=O)N[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075788	1	58	0.0	-71.64	422.74	5.26	-66.38
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O=C(CC1CC1)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075798	1	52	0.0	-74.15	394.71	5.82	-68.33
CCCC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075804	1	51	0.0	-72.75	385.52	4.97	-67.78
CC(C)CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075809	1	54	0.0	-72.26	402.26	5.56	-66.70
O=C(CC1CCCC1)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075813	1	58	0.0	-71.93	426.93	6.78	-65.15
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CSCCC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075825	1	52	0.0	-71.46	408.76	5.44	-66.02
CC(C)CCC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075826	1	57	0.0	-73.12	424.60	6.27	-66.85
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CCCCCC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075839	1	57	0.0	-72.96	428.53	6.53	-66.43
CC(C)(C)CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075840	1	57	0.0	-71.56	417.16	6.12	-65.44
CCCCC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075843	1	54	0.0	-73.00	407.03	5.75	-67.25
CC(C)OCCC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075851	1	58	0.0	-71.89	439.75	5.03	-66.86
CCOCCCC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075856	1	58	0.0	-76.47	440.99	5.05	-71.42
O=C(CC1CCCO1)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075858	1	56	0.0	-76.46	419.89	5.29	-71.17
COCCCC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075860	1	55	0.0	-76.43	419.21	4.04	-72.39
CCSCCC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075861	1	55	0.0	-71.52	430.16	6.37	-65.15
CC(=CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300030075868	1	56	0.0	-70.95	417.85	7.19	-63.76
O=C(CC(F)(F)F)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075874	1	48	0.0	-78.96	381.44	4.63	-74.33
COCCCCC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075881	1	58	0.0	-73.57	440.70	4.82	-68.75
CCCC(C)CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075882	1	60	0.0	-64.91	441.98	6.99	-57.92
COC(C)CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075883	1	55	0.0	-67.48	416.84	4.78	-62.70
C=CCCC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075884	1	52	0.0	-73.10	398.26	5.57	-67.53
CCOCCC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075887	1	55	0.0	-72.06	419.48	4.28	-67.78
C[N@@H+]1CCCC1C(=O)N1CCN([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075895	0	57	0.0	-60.13	424.16	4.03	-56.10
C[N@H+]1CCCC1C(=O)N1CCN([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075895	1	57	0.0	-69.14	415.03	4.09	-65.05
CC(C)(C)C=CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075897	1	58	0.0	-72.45	431.34	6.83	-65.62
O=C(CCC1CC1)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075902	1	55	0.0	-73.12	417.14	6.54	-66.58
O=C(CC1CCOC1)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075905	1	56	0.0	-77.49	414.93	4.47	-73.02
O=C(CC1CCC1)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075910	1	55	0.0	-72.15	411.62	6.22	-65.93
O=C(CCC1CCC1)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075915	1	58	0.0	-73.02	433.75	7.05	-65.97
O=C(C=C1CCC1)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075921	1	53	0.0	-64.95	401.77	6.24	-58.71
CCC(=CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1)CC	REAL300030075922	1	58	0.0	-70.94	429.19	7.25	-63.69
CSC(C)CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075934	1	55	0.0	-67.40	424.59	6.01	-61.39
C#CCCCCC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075936	1	56	0.0	-73.67	434.31	7.05	-66.62
CCNC(=O)CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075939	1	55	0.0	-86.52	421.53	4.11	-82.41
COC(C)CCC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075940	1	58	0.0	-72.18	438.67	4.85	-67.33
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CCC(C)CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075948	1	57	0.0	-65.05	420.48	6.23	-58.82
C#CCCCC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075949	1	53	0.0	-76.78	412.81	6.27	-70.51
C=CC(C)(O)CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075950	1	56	0.0	-65.40	419.22	4.18	-61.22
CC(C)(O)CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075951	1	55	0.0	-76.23	411.02	3.28	-72.95
CCC(C)=CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075963	1	55	0.0	-71.28	410.84	6.52	-64.76
O=C(CC1(O)CCC1)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075966	1	56	0.0	-74.58	418.57	4.35	-70.23
CCC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075972	1	48	0.0	-72.87	364.03	4.20	-68.67
COCCC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075973	1	52	0.0	-72.08	397.70	3.27	-68.81
CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030075974	1	45	0.0	-65.69	339.24	3.63	-62.06
CCC(C(=O)N1CCN([C@@H]2CCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030075980	0	59	0.0	-71.25	429.48	4.21	-67.04
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C[N@@H+]1CC=CCC1CC(=O)NCCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030078707	0	58	0.0	-61.49	420.74	5.52	-55.97
C[N@H+]1CC=CCC1CC(=O)NCCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030078707	1	58	0.0	-61.49	420.74	5.52	-55.97
C[C@@H](OCC[NH+](C)C)C(=O)NCCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030078719	0	60	0.0	-67.98	450.22	5.28	-62.70
CCC1C[NH+](CC(=O)NCCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030078797	1	57	0.0	-70.76	427.22	5.38	-65.38
C[N@H+]1CCC[C@H]1C(=O)NCCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030078802	1	54	0.0	-71.60	395.92	4.16	-67.44
O=C(CC[N@@H+]1CCC(F)C1)NCCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030078808	1	57	0.0	-77.23	428.85	5.33	-71.90
O=C(C[NH+]1CCCCC1)NCCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030078821	0	57	0.0	-69.52	417.66	5.48	-64.04
CC1C(C(=O)NCCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300030078827	0	57	0.0	-71.89	415.73	4.75	-67.14
CC1C(C(=O)NCCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300030078827	1	57	0.0	-72.81	421.05	4.93	-67.88
C[N@@H+]1CCOCC1CC(=O)NCCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030078856	1	58	0.0	-69.03	417.83	3.19	-65.84
C[N@H+]1CCOCC1CC(=O)NCCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030078856	1	58	0.0	-63.63	417.69	3.20	-60.43
C[N@@H+]1CCCC1C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030079026	0	54	0.0	-71.21	397.99	4.17	-67.04
C[N@H+]1CCCC1C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030079026	1	54	0.0	-69.15	398.19	4.43	-64.72
C[N@@H+]1CCOC(C(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030079052	1	55	0.0	-73.84	405.35	3.77	-70.07
C[N@H+]1CCOC(C(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030079052	1	55	0.0	-74.49	403.23	3.70	-70.79
O=C(CC[NH+]1CCOCC1)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030079203	1	58	0.0	-77.09	434.83	3.75	-73.34
O=C(NCCC1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1)C1=CC(=O)[N-]O1	REAL300030079213	0	58	0.0	-73.84	408.22	5.03	-68.81
O=C(NCCC1CCCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC1)C1=CC(=O)[N-]O1	REAL300030079219	1	52	0.0	-71.34	402.80	6.71	-64.63
C[N@@H+]1CCC(CC(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030079245	0	57	0.0	-75.80	426.10	5.36	-70.44
C[N@H+]1CCC(CC(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030079245	1	57	0.0	-75.90	426.00	5.35	-70.55
CCC(C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030079252	0	56	0.0	-70.58	407.15	4.69	-65.89
C[NH+](C)CCCCC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030079287	0	59	0.0	-75.51	444.92	5.89	-69.62
CC(C)C(C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030079301	0	59	0.0	-70.41	422.85	5.50	-64.91
CCC[N@H+](C)CCC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030079302	0	59	0.0	-75.18	441.29	5.69	-69.49
CCC[N@@H+](C)CCC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030079302	1	59	0.0	-75.18	441.30	5.70	-69.48
CCC[N@H+](C)CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030079305	0	56	0.0	-72.04	418.93	5.09	-66.95
CCC[N@@H+](C)CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030079305	1	56	0.0	-72.06	418.81	5.11	-66.95
O=C(NCCC1CCCN(C(=O)C23CC[N@H+](C2)CCC3)CC1)C1=CC(=O)[N-]O1	REAL300030079319	0	58	0.0	-79.01	411.80	4.54	-74.47
O=C(NCCC1CCCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1)C1=CC(=O)[N-]O1	REAL300030079319	1	58	0.0	-74.48	412.46	4.53	-69.95
CC1CC[NH+](CC(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030079352	0	60	0.0	-72.59	442.29	6.17	-66.42
C[NH+](C)CC1(C(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030079391	0	57	0.0	-73.22	426.68	5.24	-67.98
CC[N@H+](C)CCC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030079410	0	56	0.0	-74.41	419.79	4.96	-69.45
CC[N@@H+](C)CCC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030079410	1	56	0.0	-74.38	419.67	4.95	-69.43
O=C(NCCC1CCCN(C(=O)C2C[NH+]3CCC2CC3)CC1)C1=CC(=O)[N-]O1	REAL300030079423	0	58	0.0	-79.97	417.02	5.19	-74.78
C[NH+]1CCC(C(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030079470	0	57	0.0	-77.37	421.10	5.16	-72.21
CC(C)[C@H](C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030079486	0	59	0.0	-71.80	419.74	4.94	-66.86
CC[NH+](CC)CC(F)C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030079539	0	59	0.0	-68.12	434.69	5.26	-62.86
C[NH+](C)C1(C(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300030079557	0	57	0.0	-75.78	410.76	4.65	-71.13
CCC(C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](CC)CC	REAL300030079585	0	62	0.0	-65.32	440.81	5.89	-59.43
CC1CCC[N@@H+]1CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030079595	0	57	0.0	-68.47	418.41	5.04	-63.43
CC1CCC[N@H+]1CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030079595	1	57	0.0	-68.36	418.19	5.06	-63.30
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030079633	0	60	0.0	-68.59	417.01	5.00	-63.59
CC(C)[N@H+]1CCCC1C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030079633	1	60	0.0	-62.55	433.19	5.41	-57.14
CC(C)[C@@H](C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030079640	0	59	0.0	-70.43	422.64	5.45	-64.98
CC1CC[N@H+](CC(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030079653	0	57	0.0	-71.20	425.84	5.38	-65.82
CC1CC[N@@H+](CC(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030079653	1	57	0.0	-70.96	425.17	5.38	-65.58
CC1(C)CC[N@H+](CC(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030079657	0	60	0.0	-71.41	444.94	5.92	-65.49
CC1(C)CC[N@@H+](CC(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030079657	1	60	0.0	-71.09	444.73	5.92	-65.17
C[N@H+](CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300030079658	0	62	0.0	-71.93	449.33	6.15	-65.78
C[N@@H+](CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300030079658	1	62	0.0	-71.63	449.71	6.26	-65.37
CC[C@@H](C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030079666	0	56	0.0	-68.11	406.45	4.55	-63.56
CC1=[NH+]C=CN1CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030079771	1	52	0.0	-68.50	409.11	5.28	-63.22
CC[N@@H+]1CCOC(C(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030079826	1	58	0.0	-83.48	429.89	4.56	-78.92
CC[N@H+]1CCOC(C(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030079826	1	58	0.0	-81.86	431.60	4.60	-77.26
O=C(NCCC1CCCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC1)C1=CC(=O)[N-]O1	REAL300030079855	0	52	0.0	-76.90	414.64	7.05	-69.85
CC1=C[NH+]=CN1CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030079858	1	52	0.0	-70.72	409.34	6.02	-64.70
C[C@@H]1[C@H](C(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300030079864	0	57	0.0	-73.55	411.39	4.59	-68.96
C[C@@H]1[C@H](C(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300030079864	1	57	0.0	-72.84	413.87	4.86	-67.98
CC[C@@H]1[C@@H](C(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300030079866	0	60	0.0	-74.80	432.53	5.25	-69.55
CC[C@@H]1[C@@H](C(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300030079866	1	60	0.0	-74.22	438.04	5.54	-68.68
CC1CCC(C)[NH+]1CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030079873	0	60	0.0	-68.34	436.71	5.69	-62.65
O=C(CCC[NH+]1CCCC1)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030079876	0	60	0.0	-73.30	449.07	6.25	-67.05
O=C(CC[NH+]1CCCCC1)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030079880	0	60	0.0	-73.62	443.71	6.18	-67.44
CC[N@@H+]1CCCCC1C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030079883	0	60	0.0	-67.49	437.13	5.83	-61.66
CC[N@H+]1CCCCC1C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030079883	1	60	0.0	-67.94	426.18	5.41	-62.53
C[N@H+](CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300030079974	0	57	0.0	-69.77	425.79	5.68	-64.09
C[N@@H+](CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300030079974	1	57	0.0	-69.90	425.83	5.65	-64.25
C[NH+]1CCC(C(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030080002	0	57	0.0	-77.37	421.10	5.16	-72.21
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080030	0	54	0.0	-71.02	397.11	4.18	-66.84
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080030	1	54	0.0	-69.18	398.21	4.44	-64.74
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080047	1	56	0.0	-69.01	425.40	5.46	-63.55
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080047	1	56	0.0	-69.44	428.33	5.80	-63.64
C[N@@H+]1CCCC1CCC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080052	0	60	0.0	-76.68	447.07	6.25	-70.43
C[N@H+]1CCCC1CCC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080052	1	60	0.0	-72.15	441.64	5.75	-66.40
C[N@@H+]1CCCCC1C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080121	0	57	0.0	-68.47	419.27	5.20	-63.27
C[N@H+]1CCCCC1C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080121	1	57	0.0	-67.69	418.94	5.23	-62.46
CC1C(C(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300030080176	0	57	0.0	-74.48	418.64	5.37	-69.11
CC1C(C(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300030080176	1	57	0.0	-74.34	417.85	5.13	-69.21
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080230	0	60	0.0	-69.03	439.82	5.30	-63.73
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080230	1	60	0.0	-68.83	439.56	5.35	-63.48
C[C@@H](C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030080244	0	53	0.0	-69.90	394.17	4.01	-65.89
C=CCC(C)(C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030080258	0	60	0.0	-65.66	424.99	5.17	-60.49
O=C(CC[NH+]1CCCC1)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080273	0	57	0.0	-73.76	428.04	5.46	-68.30
C[N@H+](CCO)CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080282	1	54	0.0	-72.50	407.66	1.13	-71.37
C[N@@H+](CCO)CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080282	1	54	0.0	-72.57	407.57	1.10	-71.47
C[N@H+]1CC=C(CC(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030080335	0	58	0.0	-70.88	438.89	6.06	-64.82
C[N@@H+]1CC=C(CC(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030080335	1	58	0.0	-68.93	438.88	6.05	-62.88
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080356	0	58	0.0	-68.21	417.04	0.97	-67.24
C[N@H+]1CC(O)CC1(C)C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080356	1	58	0.0	-77.04	417.60	1.40	-75.64
CC1C[NH+](CC(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030080384	1	54	0.0	-72.79	409.69	4.85	-67.94
CC[N@@H+]1CCCC(C(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030080390	0	60	0.0	-72.79	440.80	5.86	-66.93
CC[N@H+]1CCCC(C(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030080390	1	60	0.0	-64.57	432.08	6.06	-58.51
NC1=[NH+]C=CC=C1CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080394	0	53	0.0	-68.12	413.95	3.52	-64.60
O=C(NCCC1CCCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300030080401	0	58	0.0	-66.33	428.13	5.80	-60.53
O=C(NCCC1CCCN(C(=O)C2CCC[N@H+]2C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300030080401	1	58	0.0	-67.15	424.50	5.74	-61.41
O=C(C=CC[NH+]1CCCC1)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080427	0	58	0.0	-70.40	440.71	6.13	-64.27
CC[N@H+](C)CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080470	0	53	0.0	-71.71	397.30	4.37	-67.34
O=C(CN1CC2C=CC1C2)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080503	0	56	0.0	-70.36	418.91	5.68	-64.68
O=C(C[N@@H+]1CC2C=CC1C2)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080503	1	56	0.0	-70.44	419.16	5.69	-64.75
O=C(C[N@H+]1CC2C=CC1C2)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080503	1	56	0.0	-70.44	419.16	5.69	-64.75
CC(OCC[NH+](C)C)C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080583	0	60	0.0	-73.22	449.76	5.21	-68.01
C[NH+](C)CCOCCC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080590	0	60	0.0	-73.04	456.40	4.53	-68.51
COCCN(C)CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080592	0	57	0.0	-72.47	429.81	3.51	-68.96
COCC[N@H+](C)CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080592	1	57	0.0	-72.88	429.91	3.53	-69.35
COCC[N@@H+](C)CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080592	1	57	0.0	-72.88	429.91	3.53	-69.35
CC(CCC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030080595	0	59	0.0	-77.61	433.19	5.48	-72.13
CC[N@H+](CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300030080610	0	57	0.0	-69.06	426.17	5.71	-63.35
C[N@@H+]1CC2CC1(C(=O)N1CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300030080636	0	55	0.0	-75.13	406.37	4.84	-70.29
O=C(C[N@@H+]1CC2CCC1C2)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080645	0	58	0.0	-70.13	426.14	5.79	-64.34
O=C(C[N@H+]1CC2CCC1C2)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080645	1	58	0.0	-70.13	426.14	5.79	-64.34
CC(C[NH+](C)C)C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080659	0	56	0.0	-74.80	416.72	4.81	-69.99
CCN1CCC1C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080694	0	54	0.0	-70.35	400.88	4.24	-66.11
CC[N@@H+]1CCC1C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080694	1	54	0.0	-71.58	409.81	4.60	-66.98
CC[N@H+]1CCC1C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080694	1	54	0.0	-71.58	409.81	4.60	-66.98
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080703	0	62	0.0	-69.96	442.73	4.26	-65.70
CCCC(C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030080737	0	59	0.0	-71.11	428.65	5.45	-65.66
C[NH+](C)C(C)(C)C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080741	0	56	0.0	-75.07	399.76	4.64	-70.43
CC(CC[NH+](C)C)C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080754	0	59	0.0	-74.99	438.37	5.40	-69.59
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080808	0	60	0.0	-68.67	441.51	5.69	-62.98
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080808	1	60	0.0	-68.67	441.51	5.69	-62.98
C[NH+](C)CCCCCC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080810	0	62	0.0	-74.67	466.42	6.66	-68.01
CN1CCN(CC(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030080817	0	59	0.0	-71.86	438.58	3.19	-68.67
C[NH+]1CCN(CC(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030080817	1	59	0.0	-71.86	438.58	3.19	-68.67
CC1C[N@H+](C)CC(C(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300030080867	1	58	0.0	-84.47	435.00	4.70	-79.77
CC1C[N@@H+](C)CC(C(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300030080867	1	58	0.0	-87.01	425.93	4.22	-82.79
O=C(C[NH+]1CC2CC2C1)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080896	0	55	0.0	-72.25	414.90	5.56	-66.69
C[N@@H+]1CCCCC1C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080920	0	57	0.0	-68.47	419.27	5.20	-63.27
C[N@H+]1CCCCC1C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080920	1	57	0.0	-67.69	418.94	5.23	-62.46
C[N@@H+]1CCC(=CC(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030080987	0	55	0.0	-71.12	416.49	5.28	-65.84
C[N@H+]1CCC(=CC(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030080987	1	55	0.0	-71.30	416.63	5.29	-66.01
O=C(CNC1=CC=[NH+]C=C1)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030080990	0	53	0.0	-72.91	415.28	2.96	-69.95
C[NH+](C)C1(C(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)CCCC1	REAL300030081044	0	60	0.0	-75.14	413.00	4.41	-70.73
CCC1C[NH+](CC(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030081053	0	57	0.0	-73.31	432.20	5.55	-67.76
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030081063	0	54	0.0	-68.85	401.67	4.51	-64.34
C[N@H+]1CCC[C@H]1C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030081063	1	54	0.0	-70.79	398.46	4.23	-66.56
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030081153	0	57	0.0	-73.40	426.98	5.36	-68.04
C[NH+](C)CCC1(C(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030081162	0	60	0.0	-74.22	450.79	6.02	-68.20
C[N@@H+]1CC=CCC1CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030081163	0	58	0.0	-76.61	430.71	5.81	-70.80
C[N@H+]1CC=CCC1CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030081163	1	58	0.0	-65.96	425.76	5.75	-60.21
C[NH+](C)CCOCC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030081196	0	57	0.0	-72.55	435.44	4.82	-67.73
[NH2+]=C1SC=CN1CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030081222	0	50	0.0	-68.12	406.78	3.85	-64.27
C[C@@H](OCC[NH+](C)C)C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030081258	0	60	0.0	-71.67	451.25	5.26	-66.41
C[N@@H+]1CCCC(C(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030081286	0	57	0.0	-73.33	419.51	5.03	-68.30
C[N@H+]1CCCC(C(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030081286	1	57	0.0	-73.33	419.51	5.03	-68.30
O=C(C[NH+]1CCCCCC1)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030081287	0	60	0.0	-71.51	430.68	5.74	-65.77
CN1C=C[N+](CC(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030081290	0	52	0.0	-69.57	410.81	7.20	-62.37
O=C(CN1CCC(O)CC1)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030081310	0	58	0.0	-75.77	432.52	2.19	-73.58
O=C(C[NH+]1CCC(O)CC1)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030081310	1	58	0.0	-75.77	432.52	2.19	-73.58
C[N@H+](CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300030081311	0	54	0.0	-69.40	409.00	5.11	-64.29
O=C(CC[N@H+]1CCC(F)C1)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030081314	0	57	0.0	-78.74	433.78	5.49	-73.25
CC(CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300030081334	0	59	0.0	-78.08	436.69	5.74	-72.34
CN1CCOCC1CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030081353	0	58	0.0	-79.62	430.04	3.57	-76.05
C[N@@H+]1CCOCC1CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030081353	1	58	0.0	-68.09	422.86	3.41	-64.68
C[N@H+]1CCOCC1CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030081353	1	58	0.0	-68.09	422.86	3.41	-64.68
CC1=CC(N)=NC=C1C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030081392	0	53	0.0	-74.17	412.72	2.99	-71.18
CC1=CC(N)=[NH+]C=C1C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030081392	1	53	0.0	-74.17	412.72	2.99	-71.18
CC1(O)CC[N@H+](CC(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030081421	0	58	0.0	-72.39	436.19	2.10	-70.29
C[NH+]1CC(CC(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030081447	0	54	0.0	-73.38	411.13	4.55	-68.83
C[N@H+](CCO)CCC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030081472	0	57	0.0	-73.59	430.14	1.72	-71.87
C[N@@H+](CCO)CCC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030081472	1	57	0.0	-73.59	430.14	1.72	-71.87
C[N@@H+]1CCCCC1CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030081488	0	60	0.0	-75.75	438.86	5.92	-69.83
C[N@H+]1CCCCC1CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030081488	1	60	0.0	-75.75	438.86	5.92	-69.83
CC1CCN1CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030081501	0	54	0.0	-71.02	410.97	4.76	-66.26
CC1CC[N@@H+]1CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030081501	1	54	0.0	-70.93	410.91	4.77	-66.16
CC1CC[N@H+]1CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030081501	1	54	0.0	-70.93	410.91	4.77	-66.16
C[NH+](C)CC=CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030081507	0	54	0.0	-71.89	415.63	4.96	-66.93
CC1(C)CN(CC(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030081513	0	57	0.0	-72.51	430.17	5.30	-67.21
CC1(C)C[NH+](CC(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030081513	1	57	0.0	-72.51	430.17	5.30	-67.21
C[NH+](C)CCSCC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030081532	0	57	0.0	-78.76	446.47	5.71	-73.05
O=C(C[N@H+]1CCCC1CO)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030081549	0	58	0.0	-68.50	425.55	2.23	-66.27
CC[NH+](CC)CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030081553	0	56	0.0	-70.11	411.14	4.76	-65.35
O=C(CN1CCC1)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030081562	0	51	0.0	-72.32	389.67	4.12	-68.20
O=C(C[NH+]1CCC1)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030081562	1	51	0.0	-72.32	389.67	4.12	-68.20
CC[NH+](CC)CCC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030081592	0	59	0.0	-73.90	433.16	5.39	-68.51
CC(C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1)N1CCC1	REAL300030081648	0	54	0.0	-70.13	406.93	4.57	-65.56
CC(C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC1	REAL300030081648	1	54	0.0	-70.13	406.93	4.57	-65.56
CCC(CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300030081653	0	62	0.0	-79.03	454.41	6.37	-72.66
C[NH+](C)CC(C)(C)C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030081659	0	59	0.0	-73.94	415.59	4.64	-69.30
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030081693	0	57	0.0	-68.37	417.23	5.15	-63.22
C[NH+](C)CC(O)CC(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030081715	0	57	0.0	-78.04	432.17	2.76	-75.28
C=CCC(C(=O)N1CCCC(CCNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030081736	0	57	0.0	-70.94	421.14	5.19	-65.75
C[NH+]1CCC(C)(C(=O)N2CCCC(CCNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030081748	0	60	0.0	-71.08	424.19	5.09	-65.99
C[NH+](C)CCSCC(=O)NCCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030081808	0	57	0.0	-78.63	441.46	5.46	-73.17
C[N@@H+]1CCCC1C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2	REAL300030081972	0	55	0.0	-68.61	387.18	4.37	-64.24
C[N@H+]1CCCC1C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2	REAL300030081972	1	55	0.0	-72.01	381.56	4.97	-67.04
CC1=[NH+]C=CN1CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2	REAL300030082133	1	53	0.0	-65.07	389.26	5.58	-59.49
C[C@@H]1[C@H](C(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCCC3)CC[N@@H+]1C	REAL300030082154	0	58	0.0	-72.48	396.61	4.99	-67.49
C[C@@H]1[C@H](C(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCCC3)CC[N@H+]1C	REAL300030082154	1	58	0.0	-72.18	404.45	5.72	-66.46
C[N@H+](CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2)C1CCC1	REAL300030082189	0	58	0.0	-66.82	414.49	5.86	-60.96
C[N@@H+](CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2)C1CCC1	REAL300030082189	1	58	0.0	-66.90	414.79	5.92	-60.98
C[NH+]1CCC(C(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCCC3)CC1	REAL300030082220	0	58	0.0	-71.66	400.78	5.43	-66.23
CC1=C[NH+]=CN1CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2	REAL300030082246	1	53	0.0	-66.56	397.27	6.23	-60.33
C[N@@H+]1CCC(CC(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCCC3)C1	REAL300030082253	0	58	0.0	-70.65	409.84	6.03	-64.62
C[N@H+]1CCC(CC(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCCC3)C1	REAL300030082253	1	58	0.0	-71.44	409.80	6.10	-65.34
CCC(C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2)[NH+](C)C	REAL300030082256	0	57	0.0	-66.69	398.92	4.88	-61.81
C[NH+](C)CCCCC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2	REAL300030082272	0	60	0.0	-68.91	433.77	6.01	-62.90
CCC[N@H+](C)CCC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2	REAL300030082277	0	60	0.0	-72.64	424.73	6.36	-66.28
CCC[N@@H+](C)CCC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2	REAL300030082277	1	60	0.0	-69.25	430.00	5.82	-63.43
CCC[N@H+](C)CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2	REAL300030082278	0	57	0.0	-68.82	407.62	5.29	-63.53
CCC[N@@H+](C)CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2	REAL300030082278	1	57	0.0	-68.92	407.78	5.34	-63.58
C[N@@H+]1CCC[C@@H]1C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2	REAL300030082292	0	55	0.0	-62.84	369.60	4.93	-57.91
C[N@H+]1CCC[C@@H]1C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2	REAL300030082292	1	55	0.0	-67.87	386.63	5.04	-62.83
CC[NH+](CC)CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2	REAL300030082303	0	57	0.0	-66.05	404.17	5.19	-60.86
C[NH+](C)CC1(C(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCCC3)CC1	REAL300030082351	0	58	0.0	-71.14	419.68	5.63	-65.51
C[NH+]1CCC(C(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCCC3)CC1	REAL300030082370	0	58	0.0	-71.66	400.78	5.43	-66.23
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CC[C@@H](C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2)[NH+](C)C	REAL300030082421	0	57	0.0	-65.04	398.70	4.89	-60.15
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C[N@H+](CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2)C1CC1	REAL300030082476	0	55	0.0	-69.14	392.53	5.82	-63.32
C[N@@H+](CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2)C1CC1	REAL300030082476	1	55	0.0	-65.97	397.78	5.28	-60.69
C[NH+]1CC(CC(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCCC3)C1	REAL300030082486	0	55	0.0	-69.55	399.85	4.69	-64.86
C[C@@H](C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2)[NH+](C)C	REAL300030082499	0	54	0.0	-65.31	376.85	4.30	-61.01
C[N@H+](CCO)CCC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2	REAL300030082536	0	58	0.0	-71.20	413.57	2.40	-68.80
C[N@@H+](CCO)CCC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2	REAL300030082536	1	58	0.0	-68.65	418.69	1.85	-66.80
C[C@@H](C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2)[NH+](C)C	REAL300030082537	0	54	0.0	-65.31	376.85	4.30	-61.01
C[N@@H+]1CCCC[C@@H]1C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2	REAL300030082540	0	58	0.0	-67.21	393.23	5.37	-61.84
C[N@H+]1CCCC[C@@H]1C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2	REAL300030082540	1	58	0.0	-66.96	406.11	5.64	-61.32
C[N@@H+]1CCC(=CC(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCCC3)C1	REAL300030082573	0	56	0.0	-72.75	401.25	6.09	-66.66
C[N@H+]1CCC(=CC(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCCC3)C1	REAL300030082573	1	56	0.0	-70.76	407.23	5.41	-65.35
C[NH+](C)CCOCC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2	REAL300030082582	0	58	0.0	-66.26	424.28	4.83	-61.43
C[C@H](C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2)[NH+](C)C	REAL300030082592	0	54	0.0	-67.14	385.81	4.38	-62.76
CC1C[NH+](CC(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCCC3)C1	REAL300030082608	1	55	0.0	-67.56	399.58	4.96	-62.60
C[N@H+](CCO)CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2	REAL300030082620	1	55	0.0	-68.29	389.35	1.44	-66.85
C[N@@H+](CCO)CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2	REAL300030082620	1	55	0.0	-68.60	396.53	1.31	-67.29
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CC[N@H+](C)CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2	REAL300030082632	0	54	0.0	-68.35	386.13	4.54	-63.81
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CCCC(C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2)[NH+](C)C	REAL300030082725	0	60	0.0	-68.04	420.42	5.65	-62.39
C[N@@H+]1CCCCC1C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2	REAL300030082735	0	58	0.0	-68.92	390.16	5.24	-63.68
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CC(C[NH+](C)C)C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2	REAL300030082809	0	57	0.0	-68.14	406.81	5.12	-63.02
CC(C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2)[NH+]1CC(C)C1	REAL300030082830	1	58	0.0	-65.02	417.55	5.55	-59.47
CC1CC[N@@H+]1CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2	REAL300030082831	1	55	0.0	-68.61	389.24	5.31	-63.30
CC1CC[N@H+]1CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2	REAL300030082831	1	55	0.0	-66.11	394.93	4.79	-61.32
C[NH+](C)CC(O)CC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2	REAL300030082832	0	58	0.0	-71.11	421.11	2.79	-68.32
C[NH+](C)[C@H]1C[C@H](C(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCCC3)C1	REAL300030082863	0	58	0.0	-67.34	412.94	6.22	-61.12
CC(CC[NH+](C)C)C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2	REAL300030082865	0	60	0.0	-68.38	428.45	5.74	-62.64
NC(=[NH2+])SCC(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2	REAL300030082885	0	49	0.0	-67.56	376.94	0.73	-66.83
C[N@@H+]1CCC[C@H]1C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2	REAL300030082945	0	55	0.0	-65.44	394.26	4.90	-60.54
C[N@H+]1CCC[C@H]1C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2	REAL300030082945	1	55	0.0	-71.40	382.12	4.91	-66.49
O=C(C[NH+]1CCCCC1)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2	REAL300030082954	0	58	0.0	-71.12	405.00	6.29	-64.83
CC1C(C(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCCC3)CC[N@@H+]1C	REAL300030082957	0	58	0.0	-66.91	405.76	5.02	-61.89
CC1C(C(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCCC3)CC[N@H+]1C	REAL300030082957	1	58	0.0	-65.39	386.24	5.01	-60.38
C[N@@H+]1CCCC1C(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030083135	0	55	0.0	-63.40	389.84	5.40	-58.00
C[N@H+]1CCCC1C(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030083135	1	55	0.0	-62.90	388.45	5.48	-57.42
C[N@@H+]1CCC(CC(=O)N2CCC3(NC(=O)C4=CC(=O)[N-]O4)CCCCCC23)C1	REAL300030083310	0	58	0.0	-68.84	411.48	5.76	-63.08
C[N@H+]1CCC(CC(=O)N2CCC3(NC(=O)C4=CC(=O)[N-]O4)CCCCCC23)C1	REAL300030083310	1	58	0.0	-68.30	410.33	5.78	-62.52
CCC(C(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12)[NH+](C)C	REAL300030083313	0	57	0.0	-66.77	402.64	5.04	-61.73
C[NH+](C)CCCCC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030083327	0	60	0.0	-68.78	436.97	6.14	-62.64
CCC[N@H+](C)CCC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030083333	0	60	0.0	-70.29	428.44	6.18	-64.11
CCC[N@@H+](C)CCC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030083333	1	60	0.0	-68.97	427.88	6.59	-62.38
CCC[N@H+](C)CC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030083334	0	57	0.0	-67.16	410.69	5.49	-61.67
CCC[N@@H+](C)CC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030083334	1	57	0.0	-68.89	406.11	5.54	-63.35
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CC[N@@H+](C)CCC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030083375	1	57	0.0	-68.30	406.38	5.86	-62.44
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CC1CCC[N@H+]1CC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030083450	1	58	0.0	-63.08	416.72	5.80	-57.28
CC1CC[N@H+](CC(=O)N2CCC3(NC(=O)C4=CC(=O)[N-]O4)CCCCCC23)C1	REAL300030083468	0	58	0.0	-66.03	412.39	6.33	-59.70
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CC1=[NH+]C=CN1CC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030083509	1	53	0.0	-64.04	400.89	5.68	-58.36
CC1=C[NH+]=CN1CC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030083531	1	53	0.0	-68.31	395.59	6.44	-61.87
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C[N@H+](CC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12)C1CCC1	REAL300030083567	0	58	0.0	-65.17	417.55	6.05	-59.12
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CC1C(C(=O)N2CCC3(NC(=O)C4=CC(=O)[N-]O4)CCCCCC23)CC[N@@H+]1C	REAL300030083659	0	58	0.0	-66.82	406.79	4.92	-61.90
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CC[N@@H+](C)CC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030083805	1	54	0.0	-68.46	384.61	4.80	-63.66
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COCC[N@@H+](C)CC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030083856	1	58	0.0	-69.77	417.22	3.95	-65.82
CC(CCC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12)[NH+](C)C	REAL300030083858	0	60	0.0	-70.77	425.27	5.74	-65.03
CC[N@H+](CC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12)C1CC1	REAL300030083863	0	58	0.0	-63.22	416.06	6.65	-56.57
CC[N@@H+](CC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12)C1CC1	REAL300030083863	1	58	0.0	-63.19	417.90	6.00	-57.19
CC(C[NH+](C)C)C(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030083886	0	57	0.0	-68.14	405.43	4.97	-63.17
C[C@H](C(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12)[NH+](C)C	REAL300030083900	0	54	0.0	-65.73	387.88	4.33	-61.40
CC[N@@H+]1CCC1C(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030083903	1	55	0.0	-66.15	397.34	5.49	-60.66
CC[N@H+]1CCC1C(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030083903	1	55	0.0	-65.36	395.27	5.11	-60.25
NC1=CC=[NH+]C=C1C(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030083924	0	51	0.0	-65.53	371.05	2.00	-63.53
CCCC(C(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12)[NH+](C)C	REAL300030083929	0	60	0.0	-62.73	421.51	5.70	-57.03
CC(CC[NH+](C)C)C(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030083941	0	60	0.0	-68.40	427.07	5.59	-62.81
O=C(C[NH+]1CC2CC2C1)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030084011	0	56	0.0	-68.54	402.35	6.03	-62.51
C[N@@H+]1CCCCC1C(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030084020	0	58	0.0	-65.41	407.52	5.69	-59.72
C[N@H+]1CCCCC1C(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030084020	1	58	0.0	-64.37	412.05	5.56	-58.81
C[N@@H+]1CCC(=CC(=O)N2CCC3(NC(=O)C4=CC(=O)[N-]O4)CCCCCC23)C1	REAL300030084044	0	56	0.0	-71.13	404.08	6.08	-65.05
C[N@H+]1CCC(=CC(=O)N2CCC3(NC(=O)C4=CC(=O)[N-]O4)CCCCCC23)C1	REAL300030084044	1	56	0.0	-70.72	403.37	6.19	-64.53
O=C(CNC1=CC=[NH+]C=C1)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030084045	0	54	0.0	-65.96	407.25	3.27	-62.69
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030084068	0	55	0.0	-63.26	384.92	4.83	-58.43
C[N@H+]1CCC[C@H]1C(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030084068	1	55	0.0	-68.09	384.92	4.67	-63.42
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3(NC(=O)C4=CC(=O)[N-]O4)CCCCCC23)C1	REAL300030084113	0	58	0.0	-70.59	416.03	5.85	-64.74
C[NH+](C)CCOCC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030084133	0	58	0.0	-65.42	427.30	5.06	-60.36
O=C(C[NH+]1CCCCC1)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030084166	0	58	0.0	-68.04	408.60	5.99	-62.05
C[N@@H+]1CCCC(C(=O)N2CCC3(NC(=O)C4=CC(=O)[N-]O4)CCCCCC23)C1	REAL300030084167	0	58	0.0	-61.11	400.70	5.65	-55.46
C[N@H+]1CCCC(C(=O)N2CCC3(NC(=O)C4=CC(=O)[N-]O4)CCCCCC23)C1	REAL300030084167	1	58	0.0	-66.66	407.08	5.54	-61.12
CN1C=C[N+](CC(=O)N2CCC3(NC(=O)C4=CC(=O)[N-]O4)CCCCCC23)=C1	REAL300030084168	0	53	0.0	-65.22	402.70	7.58	-57.64
C[N@H+](CC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12)C1CC1	REAL300030084177	0	55	0.0	-63.90	400.80	5.40	-58.50
C[N@@H+](CC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12)C1CC1	REAL300030084177	1	55	0.0	-66.48	396.29	5.55	-60.93
CC(CC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12)C[NH+](C)C	REAL300030084187	0	60	0.0	-67.85	428.80	6.03	-61.82
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030084212	1	54	0.0	-64.55	391.95	3.34	-61.21
C[NH+]1CC(CC(=O)N2CCC3(NC(=O)C4=CC(=O)[N-]O4)CCCCCC23)C1	REAL300030084237	0	55	0.0	-68.71	403.05	4.83	-63.88
C[NH+](C)CC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030084244	0	51	0.0	-67.05	371.61	3.99	-63.06
C[N@H+](CCO)CCC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030084254	0	58	0.0	-69.41	417.33	2.16	-67.25
C[N@@H+](CCO)CCC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030084254	1	58	0.0	-69.39	417.27	2.20	-67.19
C[C@@H](C(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12)[NH+](C)C	REAL300030084255	0	54	0.0	-63.09	388.12	4.31	-58.78
CC(C(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12)[NH+]1CC(C)C1	REAL300030084265	0	58	0.0	-64.83	414.30	5.48	-59.35
CC1CC[N@@H+]1CC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030084266	1	55	0.0	-65.82	395.28	5.18	-60.64
CC1CC[N@H+]1CC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030084266	1	55	0.0	-67.24	398.15	5.27	-61.97
C[NH+](C)CC=CC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030084268	0	55	0.0	-69.47	407.85	5.24	-64.23
CC1(C)C[NH+](CC(=O)N2CCC3(NC(=O)C4=CC(=O)[N-]O4)CCCCCC23)C1	REAL300030084271	1	58	0.0	-66.50	421.72	5.58	-60.92
CC[NH+](CC)CC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030084289	0	57	0.0	-64.11	407.60	5.31	-58.80
O=C(C[NH+]1CCC1)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030084295	1	52	0.0	-66.98	374.22	4.58	-62.40
CC[NH+](CC)CCC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030084312	0	60	0.0	-66.81	429.51	5.91	-60.90
CC(C(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12)[NH+]1CCC1	REAL300030084339	1	55	0.0	-62.92	398.30	4.83	-58.09
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030084359	0	58	0.0	-66.53	392.30	5.17	-61.36
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030084359	1	58	0.0	-64.51	405.08	5.73	-58.78
C[NH+](C)CC(O)CC(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12	REAL300030084367	0	58	0.0	-71.21	424.24	3.03	-68.18
C=CCC(C(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCCC12)[NH+](C)C	REAL300030084381	0	58	0.0	-63.72	411.07	5.35	-58.37
C[N@@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030084574	0	46	0.0	-54.74	357.38	2.76	-51.98
C[N@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030084574	1	46	0.0	-60.82	366.40	2.96	-57.86
C[N@@H+]1CCOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)C1	REAL300030084598	1	47	0.0	-89.37	374.82	2.66	-86.71
C[N@H+]1CCOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)C1	REAL300030084598	1	47	0.0	-86.06	374.73	2.66	-83.40
CC(C)C1=[NH+]C=CN1CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030084782	1	53	0.0	-68.67	422.78	5.37	-63.30
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)[NH+]1CCCCCC1	REAL300030084786	0	55	0.0	-69.68	406.34	4.67	-65.01
CC(C)[N@@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030084819	0	52	0.0	-64.70	399.86	4.00	-60.70
CC(C)[N@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030084819	1	52	0.0	-68.92	396.15	4.33	-64.59
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C1CC2CCCC[N@@H+]2C1	REAL300030084842	0	53	0.0	-74.19	408.42	4.66	-69.53
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C1CC2CCCC[N@H+]2C1	REAL300030084842	1	53	0.0	-72.68	405.04	4.89	-67.79
CC(C)C1=[NH+]C=CN1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030084871	1	50	0.0	-68.16	403.10	4.95	-63.21
CC1=[NH+]C=CN1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030084916	1	44	0.0	-56.71	366.80	3.83	-52.88
CC(C[NH+]1CCOCC1)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030084918	0	53	0.0	-69.74	408.02	3.07	-66.67
O=C(CCC[NH+]1CCCCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030084936	0	55	0.0	-74.66	422.37	5.41	-69.25
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C1C[NH+]2CCC1CC2	REAL300030084979	0	50	0.0	-80.34	382.13	3.71	-76.63
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C1CCCC2CCC[N@@H+]21	REAL300030085036	0	53	0.0	-58.83	404.53	4.74	-54.09
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C1CCCC2CCC[N@H+]21	REAL300030085036	1	53	0.0	-59.42	404.58	4.74	-54.68
C[NH+](C)CCN1C=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)C=N1	REAL300030085038	0	52	0.0	-80.95	421.64	3.71	-77.24
C[NH+](C)CCN1C=CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)=N1	REAL300030085051	0	52	0.0	-87.85	422.02	3.71	-84.14
C[C@@H]1[C@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)CC[N@@H+]1C	REAL300030085058	0	49	0.0	-75.97	377.52	2.89	-73.08
C[C@@H]1[C@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)CC[N@H+]1C	REAL300030085058	1	49	0.0	-66.62	379.46	3.71	-62.91
CCC1=[NH+]C=CN1C(C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030085060	1	53	0.0	-69.07	423.28	5.42	-63.65
CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)CC[N@@H+]1C	REAL300030085063	0	52	0.0	-77.10	394.19	3.93	-73.17
CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)CC[N@H+]1C	REAL300030085063	1	52	0.0	-67.87	401.13	4.12	-63.75
CC[N@@H+]1CCOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)C1	REAL300030085085	1	50	0.0	-77.03	395.29	3.00	-74.03
CC[N@H+]1CCOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)C1	REAL300030085085	1	50	0.0	-63.68	392.51	3.31	-60.37
CC[NH+](CC)CC(F)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030085140	0	51	0.0	-56.18	400.65	4.21	-51.97
CC1CCC(C)[NH+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030085235	0	52	0.0	-57.37	394.42	4.08	-53.29
O=C(CCC[NH+]1CCCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030085242	0	52	0.0	-74.28	407.15	4.75	-69.53
C[NH+](C)CC1=CC=CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)=C1	REAL300030085243	0	52	0.0	-76.58	415.52	5.69	-70.89
C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)CC1	REAL300030085248	0	51	0.0	-80.53	407.06	5.07	-75.46
O=C(CC[NH+]1CCCCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030085249	0	52	0.0	-74.67	401.33	4.64	-70.03
CC(C)C[N@@H+]1CCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)C1	REAL300030085284	0	55	0.0	-72.19	421.69	5.21	-66.98
CC(C)C[N@H+]1CCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)C1	REAL300030085284	1	55	0.0	-70.81	426.90	4.89	-65.92
CC(C)[N@@H+]1CCCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030085293	0	55	0.0	-64.18	408.93	4.34	-59.84
CC(C)[N@H+]1CCCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030085293	1	55	0.0	-60.06	407.79	4.30	-55.76
C[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C1CCC1	REAL300030085371	0	49	0.0	-71.15	383.42	4.19	-66.96
C[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C1CCC1	REAL300030085371	1	49	0.0	-59.90	383.60	4.21	-55.69
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)[NH+]1C(C)CCC1C	REAL300030085447	0	55	0.0	-55.69	397.40	3.92	-51.77
CN(CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C1=CC=[NH+]C=C1	REAL300030085518	0	51	0.0	-73.60	412.06	3.88	-69.72
C[N@@H+]1CCCC1CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030085538	0	52	0.0	-74.90	408.33	4.41	-70.49
C[N@H+]1CCCC1CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030085538	1	52	0.0	-70.18	402.90	3.95	-66.23
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C1CCC2CCCC[N@@H+]21	REAL300030085554	0	53	0.0	-63.50	400.92	4.39	-59.11
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C1CCC2CCCC[N@H+]21	REAL300030085554	1	53	0.0	-69.49	398.88	4.68	-64.81
O=C(CCCC[NH+]1CCCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030085580	0	55	0.0	-75.49	427.04	5.41	-70.08
C[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)CC1=CC=CC=C1	REAL300030085583	1	52	0.0	-78.60	413.99	5.80	-72.80
C[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)CC1=CC=CC=C1	REAL300030085583	1	52	0.0	-78.63	414.06	5.81	-72.82
C[NH+]1CCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)CC1	REAL300030085599	0	49	0.0	-80.54	381.91	3.88	-76.66
C[NH+](C)CC1=CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)=NO1	REAL300030085645	1	48	0.0	-78.93	396.44	3.24	-75.69
CC1=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)C=CC2=C[NH+]=CN21	REAL300030085647	0	47	0.0	-73.53	381.40	6.06	-67.47
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C1=CN2C=[NH+]C=C2C=C1	REAL300030085850	0	44	0.0	-74.57	367.50	5.71	-68.86
CC1=[NH+]C=CN1CCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030085865	1	50	0.0	-70.89	408.31	5.10	-65.79
O=C(CCCC[NH+]1CCOCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030085869	1	56	0.0	-78.34	435.62	3.81	-74.53
C[NH+](C)CC1=CC=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)C=C1	REAL300030085873	0	52	0.0	-84.09	415.49	5.70	-78.39
O=C(CC[NH+]1CCOCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030085874	1	50	0.0	-77.85	392.60	2.22	-75.63
CCC[NH+](CCC)CCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030085894	0	60	0.0	-75.12	455.40	6.14	-68.98
CC1=C[NH+]=CN1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030085914	1	44	0.0	-73.42	366.05	4.52	-68.90
O=C(CN1C=[NH+]C2=C1CCCC2)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030085926	1	51	0.0	-70.36	408.92	6.29	-64.07
C[NH+](C)CC1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)CCCCC1	REAL300030085960	0	58	0.0	-62.65	418.54	5.17	-57.48
C[N@H+](CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C1CCCCC1	REAL300030085964	0	58	0.0	-62.89	435.74	5.79	-57.10
C[N@@H+](CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C1CCCCC1	REAL300030085964	1	58	0.0	-76.35	435.74	5.81	-70.54
C[NH+](C)C1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)C1	REAL300030086006	0	55	0.0	-66.58	409.63	4.87	-61.71
C[N@@H+]1CCC(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)C1	REAL300030086013	0	49	0.0	-70.67	386.79	3.48	-67.19
C[N@H+]1CCC(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)C1	REAL300030086013	1	49	0.0	-75.76	383.51	3.83	-71.93
CCC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)[NH+](C)C	REAL300030086030	0	48	0.0	-55.89	367.98	3.20	-52.69
C[NH+](C)C1(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)CCCC1	REAL300030086051	0	55	0.0	-79.02	401.73	4.69	-74.33
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C1=CC2=C[NH+]=CN2C=C1	REAL300030086110	1	44	0.0	-80.74	367.76	5.72	-75.02
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300030086149	1	47	0.0	-86.32	397.04	3.66	-82.66
C[NH+](C)CCCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030086177	0	51	0.0	-76.70	402.69	4.36	-72.34
CCC[N@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030086196	0	51	0.0	-63.49	398.93	4.16	-59.33
CCC[N@@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030086196	1	51	0.0	-76.09	398.92	4.16	-71.93
CCC[N@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030086201	0	48	0.0	-60.66	376.60	3.63	-57.03
CCC[N@@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030086201	1	48	0.0	-73.29	376.56	3.63	-69.66
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C12CC[N@H+](C1)CCC2	REAL300030086225	0	50	0.0	-72.48	382.76	3.16	-69.32
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C12CC[N@@H+](C1)CCC2	REAL300030086225	1	50	0.0	-74.53	378.99	3.42	-71.11
C[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030086281	0	46	0.0	-70.74	357.35	2.76	-67.98
C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030086281	1	46	0.0	-69.36	362.30	3.30	-66.06
CC1CC2CCC(C(=O)NC3CN(C(=O)C4=CC(=O)[N-]O4)CC34CC4)C[N@@H+]2C1	REAL300030086306	0	56	0.0	-62.33	423.01	5.47	-56.86
CC1CC2CCC(C(=O)NC3CN(C(=O)C4=CC(=O)[N-]O4)CC34CC4)C[N@H+]2C1	REAL300030086306	1	56	0.0	-54.78	419.52	5.78	-49.00
CCCCCC[N@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030086352	0	57	0.0	-61.68	441.09	5.97	-55.71
CCCCCC[N@@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030086352	1	57	0.0	-74.51	441.05	5.97	-68.54
CC[NH+](CC)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030086370	0	48	0.0	-72.04	373.45	3.58	-68.46
CCC[N@@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)C1	REAL300030086397	0	55	0.0	-66.81	414.83	5.45	-61.36
CCC[N@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)C1	REAL300030086397	1	55	0.0	-61.25	421.07	5.22	-56.03
CC(C)[N@@H+]1CCOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)C1	REAL300030086414	1	53	0.0	-74.56	412.92	3.53	-71.03
CC(C)[N@H+]1CCOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)C1	REAL300030086414	1	53	0.0	-71.54	402.20	3.68	-67.86
CC1CC[NH+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)CC1	REAL300030086452	0	52	0.0	-74.35	399.89	4.70	-69.65
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300030086478	1	47	0.0	-80.10	396.62	3.65	-76.45
C[NH+]1CCC(OCC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)CC1	REAL300030086486	0	53	0.0	-81.12	417.29	4.28	-76.84
C[NH+](C)CC1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)CC1	REAL300030086503	0	49	0.0	-76.31	389.56	3.54	-72.77
CC1=[NH+]C=C2CCC(C(=O)NC3CN(C(=O)C4=CC(=O)[N-]O4)CC34CC4)CN21	REAL300030086504	1	51	0.0	-68.66	404.94	4.95	-63.71
CC(C)[NH+]1CCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)CC1	REAL300030086594	0	55	0.0	-77.49	412.56	4.83	-72.66
C[NH+]1CCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)CC1	REAL300030086620	0	49	0.0	-80.54	381.91	3.88	-76.66
CCC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)[NH+](CC)CC	REAL300030086657	0	54	0.0	-63.75	407.22	4.29	-59.46
CC[N@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030086747	0	48	0.0	-62.93	377.43	3.41	-59.52
CC[N@@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030086747	1	48	0.0	-63.21	377.43	3.41	-59.80
CC1CCC[N@@H+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030086811	0	49	0.0	-70.56	382.75	4.00	-66.56
CC1CCC[N@H+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030086811	1	49	0.0	-70.55	382.26	3.89	-66.66
CC1CC[N@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)C1	REAL300030086814	0	49	0.0	-72.90	383.37	3.95	-68.95
CC1CC[N@@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)C1	REAL300030086814	1	49	0.0	-72.99	382.69	3.96	-69.03
CC(C)(C)[N@@H+]1CCC(F)(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)C1	REAL300030086815	0	55	0.0	-52.32	419.16	4.51	-47.81
CC(C)(C)[N@H+]1CCC(F)(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)C1	REAL300030086815	1	55	0.0	-65.19	419.18	4.53	-60.66
CC1=[NH+]C=C2CC(C(=O)NC3CN(C(=O)C4=CC(=O)[N-]O4)CC34CC4)CCN21	REAL300030086816	1	51	0.0	-74.46	406.61	4.95	-69.51
C[NH+](C)CCC1=CC=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)C=C1	REAL300030086818	0	55	0.0	-85.99	437.99	6.55	-79.44
CC1(C)CC[N@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)C1	REAL300030086820	0	52	0.0	-68.41	405.81	4.17	-64.24
CC1(C)CC[N@@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)C1	REAL300030086820	1	52	0.0	-68.64	406.36	4.15	-64.49
C[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)CC(C)(C)C	REAL300030086821	0	54	0.0	-73.61	405.17	4.61	-69.00
C[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)CC(C)(C)C	REAL300030086821	1	54	0.0	-61.12	407.51	4.79	-56.33
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030086822	0	55	0.0	-76.63	436.47	6.64	-69.99
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030086822	1	55	0.0	-76.74	436.46	6.64	-70.10
CC[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)[NH+](C)C	REAL300030086831	0	48	0.0	-70.35	367.41	3.25	-67.10
CC(COCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)[NH+]1CCCC1	REAL300030086838	0	56	0.0	-64.49	435.94	4.95	-59.54
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C1CC[NH+](CC2CC2)CC1	REAL300030086927	0	56	0.0	-80.22	431.07	6.09	-74.13
C[NH+]1CCC(O)(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)CC1	REAL300030087057	0	53	0.0	-73.85	407.90	2.52	-71.33
COCC[N@@H+]1CCCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030087063	0	56	0.0	-67.70	428.97	3.23	-64.47
COCC[N@H+]1CCCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030087063	1	56	0.0	-61.66	429.10	3.23	-58.43
C[NH+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030087070	0	42	0.0	-73.57	337.32	2.21	-71.36
O=C(C[NH+]1CCC(CO)CC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030087074	1	53	0.0	-77.76	411.12	1.39	-76.37
O=C(C[NH+]1CCCCCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030087078	0	52	0.0	-73.74	390.55	4.61	-69.13
CN1C=C[N+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)=C1	REAL300030087083	0	44	0.0	-71.42	368.56	5.72	-65.70
C[N@@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)C1	REAL300030087093	0	49	0.0	-74.61	381.97	3.84	-70.77
C[N@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)C1	REAL300030087093	1	49	0.0	-64.12	375.69	4.06	-60.06
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C1CCC[N@@H+]1C1CC1	REAL300030087098	0	50	0.0	-60.80	397.75	4.39	-56.41
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C1CCC[N@H+]1C1CC1	REAL300030087098	1	50	0.0	-70.12	391.49	3.80	-66.32
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)[NH+]1CCC1	REAL300030087131	1	46	0.0	-71.08	365.52	3.28	-67.80
CCC(CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C[NH+](C)C	REAL300030087141	0	54	0.0	-79.54	412.19	4.84	-74.70
O=C(C[NH+]1CCC(O)CC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030087188	1	50	0.0	-79.07	390.51	0.74	-78.33
C[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C1CC1	REAL300030087190	0	46	0.0	-58.95	366.60	3.61	-55.34
C[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C1CC1	REAL300030087190	1	46	0.0	-67.26	370.35	3.33	-63.93
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)N1CC[NH+](C)CC1	REAL300030087191	1	54	0.0	-72.27	410.67	2.06	-70.21
C[NH+]1CC(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)C1	REAL300030087215	0	46	0.0	-75.30	368.65	3.04	-72.26
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C1CC[N@@H+]1C1CCCC1	REAL300030087219	0	53	0.0	-69.69	409.20	4.59	-65.10
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C1CC[N@H+]1C1CCCC1	REAL300030087219	1	53	0.0	-59.83	402.64	4.64	-55.19
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030087227	0	52	0.0	-69.96	399.34	3.95	-66.01
CC(C)(C)[N@H+]1CCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030087227	1	52	0.0	-65.07	402.47	3.65	-61.42
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300030087237	0	52	0.0	-66.50	412.07	2.66	-63.84
C[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)[NH+](C)C	REAL300030087240	0	45	0.0	-72.66	355.45	2.62	-70.04
CCC1CCC[N@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)C1	REAL300030087285	0	55	0.0	-69.47	414.88	5.00	-64.47
CCC1CCC[N@@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)C1	REAL300030087285	1	55	0.0	-74.19	411.30	5.30	-68.89
C[NH+](C)CC1=CC=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)N1	REAL300030087293	0	50	0.0	-70.82	404.17	3.37	-67.45
C[NH+]1C2CCC1CC(CC(=O)NC1CN(C(=O)C3=CC(=O)[N-]O3)CC13CC3)C2	REAL300030087305	0	56	0.0	-73.15	403.01	4.65	-68.50
C[NH+](C)C(CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C1=CC=CC=C1	REAL300030087310	0	55	0.0	-83.90	427.28	6.22	-77.68
[NH2+]=C1SC=CN1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030087346	0	42	0.0	-69.94	364.40	2.39	-67.55
C[N@H+](CCO)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030087357	0	49	0.0	-74.53	387.77	0.20	-74.33
C[N@@H+](CCO)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030087357	1	49	0.0	-61.75	387.76	0.18	-61.57
C[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)[NH+](C)C	REAL300030087358	0	45	0.0	-72.66	355.45	2.62	-70.04
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030087363	0	49	0.0	-65.71	373.60	3.34	-62.37
C[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030087363	1	49	0.0	-68.43	382.88	3.52	-64.91
CC1CN2CC[N@@H+]1CC2C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030087370	0	52	0.0	-83.29	390.08	1.18	-82.11
CC1CN2CC[N@H+]1CC2C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030087370	1	52	0.0	-72.45	390.20	1.18	-71.27
O=C(CC1=CC2=C[NH+]=CN2C=C1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030087429	0	47	0.0	-63.95	391.77	6.39	-57.56
C[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C1CCSC1	REAL300030087457	0	50	0.0	-77.36	396.84	4.44	-72.92
C[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C1CCSC1	REAL300030087457	1	50	0.0	-78.21	396.62	4.45	-73.76
C[NH+](C)CC1=CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)=CC=N1	REAL300030087491	1	51	0.0	-73.47	411.51	3.87	-69.60
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CC[N@@H+]1CCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030087964	1	46	0.0	-66.39	364.77	2.77	-63.62
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CC(C)[N@@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)C1	REAL300030087978	0	55	0.0	-58.58	409.99	5.19	-53.39
CC(C)[N@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)C1	REAL300030087978	1	55	0.0	-71.81	416.24	5.01	-66.80
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)[N@H+](C)CC1=CC=CC=C1	REAL300030087984	0	55	0.0	-76.23	432.05	6.20	-70.03
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)[N@@H+](C)CC1=CC=CC=C1	REAL300030087984	1	55	0.0	-63.75	432.25	6.22	-57.53
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C[NH+](C)CC1=CNC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)=C1	REAL300030088027	0	50	0.0	-78.83	403.70	3.47	-75.36
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)[NH+]1CCC(O)CC1	REAL300030088044	1	53	0.0	-73.11	400.68	1.03	-72.08
C=CCC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)[NH+](C)C	REAL300030088060	0	49	0.0	-54.46	381.00	3.67	-50.79
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030088074	0	52	0.0	-58.35	399.98	3.61	-54.74
C[N@H+]1CC(C)(C)CC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030088074	1	52	0.0	-68.72	403.15	4.32	-64.40
C[NH+](C)CCCCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030088079	0	54	0.0	-75.86	424.19	5.13	-70.73
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CCCC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)[NH+](C)C	REAL300030088126	0	51	0.0	-55.60	389.24	3.98	-51.62
CC[NH+](CC)CCSCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030088169	0	55	0.0	-78.65	435.50	5.24	-73.41
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C[N@@H+]1CC=C(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)CC1	REAL300030088227	1	50	0.0	-64.47	399.25	4.23	-60.24
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CC(C[NH+](C)C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030088551	0	48	0.0	-62.59	375.80	3.49	-59.10
C[N@@H+]1CCCCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030088642	0	52	0.0	-53.75	391.86	3.95	-49.80
C[N@H+]1CCCCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030088642	1	52	0.0	-53.75	391.86	3.95	-49.80
CC1=C2C=C(C(=O)NC3CN(C(=O)C4=CC(=O)[N-]O4)CC34CC4)C=CN2C=N1	REAL300030088660	0	47	0.0	-79.14	389.67	6.28	-72.86
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CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)N1CC(C)C1	REAL300030088661	0	49	0.0	-70.04	386.30	3.91	-66.13
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)[NH+]1CC(C)C1	REAL300030088661	1	49	0.0	-70.04	386.30	3.91	-66.13
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CC1CC[N@@H+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030088665	1	46	0.0	-67.30	366.73	2.72	-64.58
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CC1C[N@@H+](C)CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)O1	REAL300030088702	1	50	0.0	-80.82	398.85	3.06	-77.76
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CCN1CC[NH+](CCC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)CC1	REAL300030088722	1	57	0.0	-75.85	435.42	2.83	-73.02
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300030088725	0	56	0.0	-59.67	415.66	5.39	-54.28
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300030088725	1	56	0.0	-59.67	415.66	5.39	-54.28
CC(C)C[NH+]1CCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)CC1	REAL300030088770	0	58	0.0	-79.49	438.36	5.97	-73.52
C[NH+](C)C1CCN(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)CC1	REAL300030088789	0	57	0.0	-73.33	430.68	2.92	-70.41
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)C1	REAL300030088810	0	49	0.0	-70.89	389.80	3.61	-67.28
CC(CC[NH+](C)C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030088818	0	51	0.0	-74.93	397.37	4.08	-70.85
C[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)[C@@H]1CCC[C@H]1O	REAL300030088847	0	53	0.0	-64.76	411.55	1.32	-63.44
C[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)[C@@H]1CCC[C@H]1O	REAL300030088847	1	53	0.0	-67.98	411.90	1.13	-66.85
C[NH+](C)C(CC1=CC=CC=C1)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030088859	0	55	0.0	-70.50	429.60	5.86	-64.64
C[NH+]1CCN(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)CC1	REAL300030088861	1	51	0.0	-74.53	396.76	1.73	-72.80
CC[NH+]1CCN(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)CC1	REAL300030088872	0	54	0.0	-72.78	413.60	2.35	-70.43
NC(=[NH2+])SCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030088899	0	40	0.0	-76.59	345.28	-0.83	-77.42
CC[N@@H+]1CCOCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030088942	0	53	0.0	-66.18	405.18	2.70	-63.48
CC1CCCC(C)[NH+]1CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030088958	0	58	0.0	-70.84	430.91	5.33	-65.51
C[NH+](C)C1CCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)CC1	REAL300030088961	0	55	0.0	-72.81	409.63	4.91	-67.90
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)CC1	REAL300030088965	0	55	0.0	-72.76	409.64	4.90	-67.86
C[N@@H+]1CC=CCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030088966	0	50	0.0	-54.22	386.29	3.89	-50.33
C[N@H+]1CC=CCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030088966	1	50	0.0	-54.22	386.29	3.89	-50.33
C[C@@H](OCC[NH+](C)C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030088992	0	52	0.0	-68.17	413.01	3.96	-64.21
C[NH+]1C2CCC1CC(C(=O)NC1CN(C(=O)C3=CC(=O)[N-]O3)CC13CC3)C2	REAL300030089021	0	53	0.0	-76.18	376.03	4.42	-71.76
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C1C[NH+](C2CCOCC2)C1	REAL300030089159	0	54	0.0	-68.58	420.85	3.20	-65.38
C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030089169	1	46	0.0	-64.94	360.95	2.47	-62.47
O=C(CC[N@@H+]1CCC(F)C1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030089178	1	49	0.0	-75.24	395.52	3.72	-71.52
O=C(CC[NH+]1CCCCCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030089198	0	55	0.0	-62.99	411.35	4.83	-58.16
O=C(C[NH+]1CCCCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030089201	0	49	0.0	-60.44	379.05	4.07	-56.37
CC1C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)CC[N@@H+]1C	REAL300030089209	0	49	0.0	-71.11	382.11	3.12	-67.99
CC1C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)CC[N@H+]1C	REAL300030089209	1	49	0.0	-73.77	378.61	3.11	-70.66
C[N@@H+]1CCCCC1CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030089212	0	55	0.0	-75.24	414.87	4.65	-70.59
C[N@H+]1CCCCC1CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030089212	1	55	0.0	-79.67	411.31	4.94	-74.73
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C1CC[N@@H+]2CCOCC12	REAL300030089243	0	51	0.0	-61.78	394.84	2.19	-59.59
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C1CC[N@H+]2CCOCC12	REAL300030089243	1	51	0.0	-68.97	392.48	2.54	-66.43
CC1=[NH+]C=C2C=CC(C(=O)NC3CN(C(=O)C4=CC(=O)[N-]O4)CC34CC4)=CN21	REAL300030089250	0	47	0.0	-71.36	388.91	5.48	-65.88
CN1CCOCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030089272	0	50	0.0	-55.88	383.24	1.58	-54.30
C[N@@H+]1CCOCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030089272	1	50	0.0	-52.23	380.45	1.87	-50.36
C[N@H+]1CCOCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030089272	1	50	0.0	-55.88	383.24	1.58	-54.30
CC1=C(C)[NH+]=C(CCC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)N1	REAL300030089283	1	50	0.0	-57.83	407.57	3.50	-54.33
C[NH+](C)CCC1=CC=CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)=C1	REAL300030089292	0	55	0.0	-76.12	437.97	6.52	-69.60
CC(C)C[N@@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)C1	REAL300030089299	0	58	0.0	-66.06	433.06	5.82	-60.24
CC(C)C[N@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)C1	REAL300030089299	1	58	0.0	-65.07	441.26	5.63	-59.44
C[N@H+]1CCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030089464	1	46	0.0	-69.90	368.03	2.92	-66.98
CN1CCOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030089490	0	47	0.0	-53.94	368.78	2.12	-51.82
C[N@@H+]1CCOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030089490	1	47	0.0	-65.01	367.03	2.43	-62.58
C[N@H+]1CCOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030089490	1	47	0.0	-53.94	368.78	2.12	-51.82
CC1=[NH+]C=CN1CCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030089663	1	50	0.0	-62.16	411.52	5.25	-56.91
O=C(CCCC[NH+]1CCOCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030089667	1	56	0.0	-68.35	438.82	3.93	-64.42
C[NH+](C)CC1=CC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C=C1	REAL300030089673	0	52	0.0	-70.29	416.50	5.44	-64.85
O=C(CC[NH+]1CCOCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030089674	1	50	0.0	-66.81	399.11	2.10	-64.71
C[NH+](C)C(C)(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)C1=CC=CC=C1	REAL300030089694	0	55	0.0	-57.38	412.02	5.40	-51.98
CCC[NH+](CCC)CCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030089702	0	60	0.0	-64.17	461.14	5.96	-58.21
CC[N@@H+](C)C(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)C1=CC=CC=C1	REAL300030089703	1	55	0.0	-60.43	427.37	6.71	-53.72
O=C(NC1CN(C(=O)C23CCC[NH+]2CCC3)CC12CC2)C1=CC(=O)[N-]O1	REAL300030089721	0	50	0.0	-55.64	378.97	3.71	-51.93
O=C(NC1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030089739	1	44	0.0	-66.82	375.58	5.74	-61.08
C[NH+](C)C1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030089819	0	55	0.0	-60.55	415.53	4.87	-55.68
C[N@@H+]1CCC(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030089826	0	49	0.0	-67.53	390.27	3.69	-63.84
C[N@H+]1CCC(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030089826	1	49	0.0	-67.26	390.18	3.68	-63.58
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030089840	0	48	0.0	-64.69	393.94	1.89	-62.80
CCC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)[NH+](C)C	REAL300030089846	0	48	0.0	-57.02	369.05	2.81	-54.21
O=C(NC1CN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030089856	1	47	0.0	-69.58	396.97	3.99	-65.59
CC1CC2CCC(C(=O)N3CC(NC(=O)C4=CC(=O)[N-]O4)C4(CC4)C3)C[N@@H+]2C1	REAL300030089908	0	56	0.0	-63.49	431.69	5.26	-58.23
CC1CC2CCC(C(=O)N3CC(NC(=O)C4=CC(=O)[N-]O4)C4(CC4)C3)C[N@H+]2C1	REAL300030089908	1	56	0.0	-64.07	421.28	5.27	-58.80
C[NH+](C)CCCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030089946	0	51	0.0	-66.57	405.91	4.48	-62.09
CC(C)C(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)[NH+](C)C	REAL300030089970	0	51	0.0	-63.14	386.96	3.57	-59.57
CCC[N@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030089972	0	51	0.0	-64.96	402.14	4.31	-60.65
CCC[N@@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030089972	1	51	0.0	-64.98	402.14	4.30	-60.68
CCC[N@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030089979	0	48	0.0	-59.64	382.40	3.41	-56.23
CCC[N@@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030089979	1	48	0.0	-62.64	379.85	3.73	-58.91
O=C(NC1CN(C(=O)C23CC[N@H+](C2)CCC3)CC12CC2)C1=CC(=O)[N-]O1	REAL300030090010	0	50	0.0	-64.93	372.91	3.14	-61.79
O=C(NC1CN(C(=O)C23CC[N@@H+](C2)CCC3)CC12CC2)C1=CC(=O)[N-]O1	REAL300030090010	1	50	0.0	-65.84	373.99	2.87	-62.97
CCCCCC[N@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030090064	0	57	0.0	-63.22	447.59	5.82	-57.40
CCCCCC[N@@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030090064	1	57	0.0	-63.75	444.34	6.07	-57.68
CC[NH+](CC)C(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)C(C)C	REAL300030090075	0	57	0.0	-57.86	405.44	4.15	-53.71
CC1CC[NH+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)CC1	REAL300030090120	0	52	0.0	-62.24	403.13	4.80	-57.44
O=C(NC1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030090152	1	47	0.0	-73.38	396.93	3.08	-70.30
C[NH+]1CCC(OCC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)CC1	REAL300030090162	0	53	0.0	-69.78	420.50	4.49	-65.29
O=C(NC1CN(C(=O)C2CC3CCCC[N@@H+]3C2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030090235	0	53	0.0	-61.00	405.87	4.91	-56.09
O=C(NC1CN(C(=O)C2CC3CCCC[N@H+]3C2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030090235	1	53	0.0	-64.35	408.09	4.59	-59.76
C[NH+](C)CC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)CC1	REAL300030090251	0	49	0.0	-62.33	389.34	3.90	-58.43
CC1=[NH+]C=C2CCC(C(=O)N3CC(NC(=O)C4=CC(=O)[N-]O4)C4(CC4)C3)CN21	REAL300030090252	1	51	0.0	-57.71	407.18	4.44	-53.27
CC(C)[NH+]1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)CC1	REAL300030090264	0	55	0.0	-64.36	417.52	4.58	-59.78
CC[N@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030090304	0	48	0.0	-64.39	380.64	3.56	-60.83
CC[N@@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030090304	1	48	0.0	-64.46	380.64	3.55	-60.91
CC(C)(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)[NH+]1CCCCC1	REAL300030090340	0	55	0.0	-57.18	401.42	4.60	-52.58
O=C(NC1CN(C(=O)C2C[NH+]3CCC2CC3)CC12CC2)C1=CC(=O)[N-]O1	REAL300030090359	0	50	0.0	-62.21	380.65	3.60	-58.61
C[NH+]1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)CC1	REAL300030090461	0	49	0.0	-67.50	383.20	3.39	-64.11
CC(C)[C@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)[NH+](C)C	REAL300030090484	0	51	0.0	-59.39	389.05	3.70	-55.69
O=C(NC1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030090586	0	56	0.0	-66.63	432.39	5.60	-61.03
CC[NH+](CC)CC(F)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030090634	0	51	0.0	-62.70	402.10	4.28	-58.42
C[NH+](C)CC1=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)SC=C1	REAL300030090635	0	49	0.0	-60.13	403.12	4.35	-55.78
CC(C)C[N@@H+]1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030090682	0	55	0.0	-63.73	424.11	4.88	-58.85
CC(C)C[N@H+]1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030090682	1	55	0.0	-61.62	423.97	4.86	-56.76
C[NH+](C)C1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)CCC1	REAL300030090686	0	49	0.0	-65.33	370.61	2.98	-62.35
CCC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)[NH+](CC)CC	REAL300030090725	0	54	0.0	-59.08	404.31	4.47	-54.61
CC1CCC[N@@H+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030090757	0	49	0.0	-57.76	381.75	3.39	-54.37
CC1CCC[N@H+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030090757	1	49	0.0	-57.94	388.39	3.80	-54.14
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030090856	1	53	0.0	-58.19	426.04	5.53	-52.66
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)[NH+]1CCCCCC1	REAL300030090863	0	55	0.0	-58.19	410.62	4.31	-53.88
CC(C)[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030090866	0	55	0.0	-54.67	411.73	4.77	-49.90
CC(C)[N@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030090866	1	55	0.0	-57.37	406.65	4.28	-53.09
CC(C)[N@@H+]1CCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030090901	0	52	0.0	-58.15	395.76	4.31	-53.84
CC(C)[N@H+]1CCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030090901	1	52	0.0	-51.61	388.19	4.75	-46.86
C[NH+](C)C(CN1C=CC=N1)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030090908	1	52	0.0	-63.41	413.87	3.75	-59.66
CC(C)[N@@H+]1CCCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030090914	0	55	0.0	-58.56	413.93	4.15	-54.41
CC(C)[N@H+]1CCCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030090914	1	55	0.0	-59.08	414.27	4.21	-54.87
O=C(NC1CN(C(=O)C2CCC[N@@H+]2C2CCCC2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030090915	0	56	0.0	-56.90	423.19	5.39	-51.51
O=C(NC1CN(C(=O)C2CCC[N@H+]2C2CCCC2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030090915	1	56	0.0	-60.19	417.34	5.51	-54.68
CC(C)[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)[NH+](C)C	REAL300030090942	0	51	0.0	-60.29	383.36	3.83	-56.46
CC1CC[N@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030090979	0	49	0.0	-60.83	389.16	3.73	-57.10
CC1CC[N@@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030090979	1	49	0.0	-57.53	386.58	4.03	-53.50
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030090980	0	55	0.0	-59.99	417.41	4.46	-55.53
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030090980	1	55	0.0	-59.81	419.21	4.48	-55.33
CC1=[NH+]C=C2CC(C(=O)N3CC(NC(=O)C4=CC(=O)[N-]O4)C4(CC4)C3)CCN21	REAL300030090982	1	51	0.0	-59.47	405.70	4.81	-54.66
C[NH+](C)CCC1=CC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C=C1	REAL300030090984	0	55	0.0	-71.45	439.00	6.28	-65.17
CC1(C)CC[N@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030090986	0	52	0.0	-59.34	408.28	4.24	-55.10
CC1(C)CC[N@@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030090986	1	52	0.0	-57.09	405.60	4.57	-52.52
C[N@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)CC(C)(C)C	REAL300030090987	0	54	0.0	-58.91	411.00	4.39	-54.52
C[N@@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)CC(C)(C)C	REAL300030090987	1	54	0.0	-61.83	410.40	4.89	-56.94
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030090988	0	55	0.0	-66.92	439.76	6.76	-60.16
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030090988	1	55	0.0	-66.16	443.01	6.51	-59.65
CC[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)[NH+](C)C	REAL300030091000	0	48	0.0	-60.18	368.39	3.21	-56.97
CC(COCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)[NH+]1CCCC1	REAL300030091008	0	56	0.0	-62.52	439.18	5.14	-57.38
CN(CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)C1=CC=[NH+]C=C1	REAL300030091181	0	51	0.0	-63.84	418.32	3.74	-60.10
CC1=[NH+]C=CN1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030091314	1	44	0.0	-59.35	372.26	3.64	-55.71
CC(C[NH+]1CCOCC1)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030091316	0	53	0.0	-65.74	412.88	2.95	-62.79
O=C(CCC[NH+]1CCCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030091338	0	55	0.0	-62.94	428.56	5.28	-57.66
C[NH+](C)CC1=CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)=NO1	REAL300030091361	1	48	0.0	-73.84	395.42	3.51	-70.33
CC1=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C=CC2=C[NH+]=CN21	REAL300030091363	0	47	0.0	-68.66	395.00	5.81	-62.85
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030091417	1	50	0.0	-58.85	406.20	5.05	-53.80
O=C(NC1CN(C(=O)C2CCCC3CCC[N@@H+]32)CC12CC2)C1=CC(=O)[N-]O1	REAL300030091474	0	53	0.0	-58.33	396.31	4.14	-54.19
O=C(NC1CN(C(=O)C2CCCC3CCC[N@H+]32)CC12CC2)C1=CC(=O)[N-]O1	REAL300030091474	1	53	0.0	-66.54	406.36	5.07	-61.47
CC[N@@H+]1CCOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030091512	1	50	0.0	-52.14	386.73	2.76	-49.38
CC[N@H+]1CCOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030091512	1	50	0.0	-63.36	384.78	3.05	-60.31
O=C(NC1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030091597	0	44	0.0	-65.39	375.50	5.72	-59.67
CC1=C[NH+]=CN1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030091602	1	44	0.0	-63.71	372.58	4.36	-59.35
C[NH+](C)CCN1C=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C=N1	REAL300030091608	0	52	0.0	-73.09	421.95	3.13	-69.96
C[NH+](C)CCN1C=CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)=N1	REAL300030091624	0	52	0.0	-68.84	421.98	4.06	-64.78
C[C@@H]1[C@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)CC[N@@H+]1C	REAL300030091631	0	49	0.0	-65.49	379.19	3.33	-62.16
C[C@@H]1[C@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)CC[N@H+]1C	REAL300030091631	1	49	0.0	-65.24	384.70	3.56	-61.68
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030091634	1	53	0.0	-57.16	429.01	5.24	-51.92
CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)CC[N@@H+]1C	REAL300030091637	0	52	0.0	-64.49	398.54	3.94	-60.55
CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)CC[N@H+]1C	REAL300030091637	1	52	0.0	-64.28	399.61	4.05	-60.23
CC1CCC(C)[NH+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030091662	0	52	0.0	-58.30	397.55	4.21	-54.09
O=C(CCC[NH+]1CCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030091669	0	52	0.0	-63.37	411.30	4.46	-58.91
C[NH+](C)CC1=CC=CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)=C1	REAL300030091670	0	52	0.0	-69.12	415.20	5.41	-63.71
C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)CC1	REAL300030091678	0	51	0.0	-67.05	407.89	4.55	-62.50
O=C(CC[NH+]1CCCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030091679	0	52	0.0	-63.75	404.55	4.77	-58.98
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030091684	0	52	0.0	-58.77	409.77	5.74	-53.03
CC[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030091694	0	52	0.0	-61.91	393.98	3.95	-57.96
CC[N@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030091694	1	52	0.0	-54.05	401.41	4.21	-49.84
CC(C)C(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)[NH+]1CCCCC1	REAL300030091695	0	58	0.0	-57.67	429.14	5.35	-52.32
C[NH+](C)C(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)C1=CC=CC=C1	REAL300030091698	1	52	0.0	-60.03	410.36	5.58	-54.45
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030091707	1	51	0.0	-57.68	414.65	6.08	-51.60
C[NH+](C)CC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)CCCCC1	REAL300030091756	0	58	0.0	-64.22	414.47	5.78	-58.44
C[NH+](C)CCC1=CC=CC=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030091757	0	55	0.0	-63.02	432.02	6.21	-56.81
C[N@H+](CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)C1CCCCC1	REAL300030091763	0	58	0.0	-64.57	438.96	5.93	-58.64
C[N@@H+](CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)C1CCCCC1	REAL300030091763	1	58	0.0	-64.63	438.96	5.94	-58.69
C[NH+](C)C1(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)CCCC1	REAL300030091766	0	55	0.0	-64.72	404.38	4.78	-59.94
C[N@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)C1CCC1	REAL300030092028	0	49	0.0	-60.73	386.77	4.30	-56.43
C[N@@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)C1CCC1	REAL300030092028	1	49	0.0	-58.24	389.15	4.00	-54.24
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)[NH+]1C(C)CCC1C	REAL300030092065	0	55	0.0	-56.32	408.83	4.59	-51.73
O=C(CCCC[NH+]1CCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030092085	0	55	0.0	-65.22	431.88	5.66	-59.56
C[N@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)CC1=CC=CC=C1	REAL300030092088	1	52	0.0	-65.33	420.52	5.66	-59.67
C[N@@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)CC1=CC=CC=C1	REAL300030092088	1	52	0.0	-63.03	419.89	5.59	-57.44
C[NH+]1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)CC1	REAL300030092106	0	49	0.0	-67.50	383.20	3.39	-64.11
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030092183	0	46	0.0	-62.75	362.44	2.53	-60.22
C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030092183	1	46	0.0	-59.90	365.88	2.95	-56.95
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030092209	1	48	0.0	-55.27	388.23	3.75	-51.52
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030092209	1	48	0.0	-60.01	393.24	4.49	-55.52
C[N@@H+]1CCCC1CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030092219	0	52	0.0	-63.32	411.22	4.59	-58.73
C[N@H+]1CCCC1CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030092219	1	52	0.0	-64.04	402.46	4.35	-59.69
O=C(NC1CN(C(=O)C23CCC[NH+](CCC2)C3)CC12CC2)C1=CC(=O)[N-]O1	REAL300030092233	0	53	0.0	-65.93	390.29	3.70	-62.23
O=C(NC1CN(C(=O)C2CCC3CCCC[N@@H+]32)CC12CC2)C1=CC(=O)[N-]O1	REAL300030092241	0	53	0.0	-55.16	408.35	4.80	-50.36
O=C(NC1CN(C(=O)C2CCC3CCCC[N@H+]32)CC12CC2)C1=CC(=O)[N-]O1	REAL300030092241	1	53	0.0	-54.00	402.48	4.42	-49.58
CCC[N@@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030092347	0	55	0.0	-59.10	414.25	5.24	-53.86
CCC[N@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030092347	1	55	0.0	-74.07	426.56	4.94	-69.13
CC(C)[N@@H+]1CCOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030092371	1	53	0.0	-60.10	401.04	3.60	-56.50
CC(C)[N@H+]1CCOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030092371	1	53	0.0	-52.99	403.42	3.27	-49.72
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030092392	0	56	0.0	-75.03	413.41	3.02	-72.01
C[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030092413	0	49	0.0	-64.06	376.16	3.30	-60.76
C[N@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030092413	1	49	0.0	-55.75	369.70	3.41	-52.34
CC(C)C[N@@H+]1CCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030092448	0	55	0.0	-58.99	422.71	4.95	-54.04
CC(C)C[N@H+]1CCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030092448	1	55	0.0	-60.02	414.22	5.23	-54.79
O=C(C[NH+]1CCC(CO)CC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030092469	0	53	0.0	-63.83	413.96	1.49	-62.34
C[NH+]1C2CCC1CC(=CC(=O)N1CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C1)C2	REAL300030092511	0	54	0.0	-65.41	416.22	5.00	-60.41
CC1C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)CC[N@@H+]1C	REAL300030092533	0	49	0.0	-62.75	383.67	3.68	-59.07
CC1C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)CC[N@H+]1C	REAL300030092533	1	49	0.0	-62.74	379.39	3.40	-59.34
C[N@@H+]1CCCCC1CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030092537	0	55	0.0	-63.18	424.40	4.97	-58.21
C[N@H+]1CCCCC1CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030092537	1	55	0.0	-66.47	417.84	4.81	-61.66
NC1=[NH+]C2=C(C=C1C(=O)N1CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C1)CCC2	REAL300030092582	1	49	0.0	-55.54	393.89	3.09	-52.45
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030092674	0	52	0.0	-60.47	383.06	3.20	-57.27
CC(C)(C)[N@H+]1CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030092674	1	52	0.0	-59.98	384.29	2.95	-57.03
O=C(NC1CN(C(=O)C2CCN(C3=CC=[NH+]C=C3)C2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030092694	0	52	0.0	-60.31	414.94	2.37	-57.94
C[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)[NH+](C)C	REAL300030092699	0	45	0.0	-61.15	357.14	2.68	-58.47
C[NH+](C)CC1=CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)=CC=N1	REAL300030092721	1	51	0.0	-65.36	412.70	3.23	-62.13
C=CCC(C)(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)[NH+](C)C	REAL300030092727	0	52	0.0	-57.47	388.19	3.49	-53.98
CC[NH+](CC)CCSCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030092761	0	55	0.0	-66.92	438.69	5.40	-61.52
NC1=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C=[NH+]C2=CC=CC=C21	REAL300030092762	1	48	0.0	-55.95	391.44	2.48	-53.47
O=C(CC[NH+]1CCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030092767	0	49	0.0	-63.78	388.88	4.07	-59.71
C[N@H+](CCO)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030092777	1	46	0.0	-63.22	368.70	-0.24	-63.46
C[N@@H+](CCO)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030092777	1	46	0.0	-59.18	371.04	-0.57	-59.75
O=C(NC1CN(C(=O)C2C[N@@H+]3CCN2CCC3)CC12CC2)C1=CC(=O)[N-]O1	REAL300030092823	0	52	0.0	-70.81	390.10	1.26	-69.55
O=C(NC1CN(C(=O)C2C[N@H+]3CCN2CCC3)CC12CC2)C1=CC(=O)[N-]O1	REAL300030092823	1	52	0.0	-72.13	386.02	1.47	-70.66
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)[NH+]1CCSCC1	REAL300030092860	1	50	0.0	-62.26	401.58	3.99	-58.27
C[N@H+]1CC=C(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)CC1	REAL300030092915	0	50	0.0	-65.30	402.96	4.41	-60.89
C[N@@H+]1CC=C(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)CC1	REAL300030092915	1	50	0.0	-64.57	399.68	4.68	-59.89
C[S+](C)CCC(O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030092935	0	48	0.0	-70.18	403.53	1.44	-68.74
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030092963	0	50	0.0	-60.68	382.25	-0.44	-61.12
C[N@H+]1CC(O)CC1(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030092963	1	50	0.0	-63.03	381.21	-0.24	-63.27
CN1CC[N@H+](C)CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030092981	0	54	0.0	-62.08	409.23	2.12	-59.96
CN1CC[N@@H+](C)CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030092981	1	54	0.0	-69.50	414.00	1.93	-67.57
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)[N@@H+]1CCCC(O)C1	REAL300030092982	0	53	0.0	-56.21	410.60	1.09	-55.12
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)[N@H+]1CCCC(O)C1	REAL300030092982	1	53	0.0	-57.05	410.53	1.06	-55.99
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030093019	0	49	0.0	-60.17	401.39	3.13	-57.04
C[N@@H+]1CCCC(O)(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030093027	0	53	0.0	-62.72	411.31	2.54	-60.18
C[N@H+]1CCCC(O)(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030093027	1	53	0.0	-63.85	398.23	2.62	-61.23
CC1C[NH+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030093034	1	46	0.0	-62.56	371.84	3.42	-59.14
CC[N@@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030093042	0	52	0.0	-56.41	397.37	4.37	-52.04
CC[N@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030093042	1	52	0.0	-62.51	398.88	4.32	-58.19
NC1=[NH+]C=CC=C1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030093056	0	45	0.0	-61.55	374.79	2.14	-59.41
O=C(NC1CN(C(=O)C2CCC[N@@H+]2C2CC2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030093072	0	50	0.0	-56.79	394.84	3.99	-52.80
O=C(NC1CN(C(=O)C2CCC[N@H+]2C2CC2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030093072	1	50	0.0	-54.49	391.98	3.82	-50.67
O=C(C=CC[NH+]1CCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030093135	0	50	0.0	-65.91	402.70	4.28	-61.63
O=C(NC1CN(C(=O)C2CC[NH+](C3CC3)CC2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030093167	0	53	0.0	-63.63	406.08	4.92	-58.71
CC[N@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030093225	0	45	0.0	-62.35	358.35	2.99	-59.36
O=C(CN1CC2C=CC1C2)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030093304	0	48	0.0	-58.18	382.26	3.87	-54.31
O=C(C[N@@H+]1CC2C=CC1C2)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030093304	1	48	0.0	-58.25	382.33	3.95	-54.30
O=C(C[N@H+]1CC2C=CC1C2)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030093304	1	48	0.0	-58.25	382.33	3.95	-54.30
CC1=CC=C(NCCC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)N=C1	REAL300030093329	0	51	0.0	-60.08	419.41	3.74	-56.34
CC1=CC=C(NCCC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)[NH+]=C1	REAL300030093329	1	51	0.0	-60.08	419.41	3.74	-56.34
O=C(NC1CN(C(=O)C23CCC[N@@H+]2CCCC3)CC12CC2)C1=CC(=O)[N-]O1	REAL300030093474	0	53	0.0	-58.09	391.06	4.06	-54.03
O=C(NC1CN(C(=O)C23CCC[N@H+]2CCCC3)CC12CC2)C1=CC(=O)[N-]O1	REAL300030093474	1	53	0.0	-58.09	391.06	4.06	-54.03
O=C(NC1CN(C(=O)C23CCC[N@@H+]2CC=CC3)CC12CC2)C1=CC(=O)[N-]O1	REAL300030093486	0	51	0.0	-57.07	382.65	3.94	-53.13
O=C(NC1CN(C(=O)C23CCC[N@H+]2CC=CC3)CC12CC2)C1=CC(=O)[N-]O1	REAL300030093486	1	51	0.0	-57.07	382.65	3.94	-53.13
CC(OCC[NH+](C)C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030093500	0	52	0.0	-59.36	414.15	3.56	-55.80
C[NH+](C)CCOCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030093513	0	52	0.0	-64.12	417.37	3.15	-60.97
COCCN(C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030093515	0	49	0.0	-58.65	393.29	1.82	-56.83
COCC[N@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030093515	1	49	0.0	-63.17	390.96	2.16	-61.01
COCC[N@@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030093515	1	49	0.0	-63.17	390.96	2.16	-61.01
CC(CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)[NH+](C)C	REAL300030093522	0	51	0.0	-65.38	394.19	4.08	-61.30
CC[N@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)C1CC1	REAL300030093565	0	49	0.0	-57.65	389.24	4.03	-53.62
CC1C[N@@H+]2CCN1C(C(=O)N1CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C1)C2	REAL300030093585	0	52	0.0	-71.66	392.92	0.75	-70.91
C[N@@H+]1CC2CC1(C(=O)N1CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C1)C2	REAL300030093624	0	47	0.0	-59.25	368.54	3.32	-55.93
CC1=NC(N)=CC=C1C=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030093636	0	49	0.0	-62.83	404.31	2.98	-59.85
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030093636	1	49	0.0	-62.83	404.31	2.98	-59.85
O=C(C[N@@H+]1CC2CCC1C2)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030093645	0	50	0.0	-58.83	388.01	3.97	-54.86
O=C(C[N@H+]1CC2CCC1C2)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030093645	1	50	0.0	-58.83	388.01	3.97	-54.86
CC(C)[NH+]1CCC(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)CC1	REAL300030093663	0	58	0.0	-61.92	440.57	5.60	-56.32
CC(C[NH+](C)C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030093679	0	48	0.0	-66.13	382.56	3.15	-62.98
CCN1CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030093747	0	46	0.0	-59.73	373.99	2.93	-56.80
CC[N@@H+]1CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030093747	1	46	0.0	-59.24	366.50	2.62	-56.62
CC[N@H+]1CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030093747	1	46	0.0	-59.24	366.50	2.62	-56.62
CC(C)[N@@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030093765	0	55	0.0	-66.12	409.65	5.06	-61.06
CC(C)[N@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030093765	1	55	0.0	-66.12	409.65	5.06	-61.06
CCC(C)(C)[NH2+]C(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030093793	0	54	0.0	-58.61	407.33	2.67	-55.94
C#CC[N@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030093853	1	51	0.0	-58.04	406.33	5.07	-52.97
C#CC[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030093853	1	51	0.0	-56.43	396.99	4.29	-52.14
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030093857	1	48	0.0	-56.38	389.83	2.96	-53.42
NC1=CC=[NH+]C=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030093858	0	42	0.0	-60.64	352.05	-0.00	-60.64
C[NH+](C)C(CC1=CC=CC=C1)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030093864	0	55	0.0	-64.36	426.82	6.18	-58.18
CCCC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)[NH+](C)C	REAL300030093871	0	51	0.0	-61.75	390.95	3.66	-58.09
C[NH+](C)C(C)(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030093879	0	48	0.0	-59.87	362.08	2.86	-57.01
CC(CC[NH+](C)C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030093906	0	51	0.0	-65.85	396.74	3.93	-61.92
O=C(NC1CN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC12CC2)C1=CC(=O)[N-]O1	REAL300030093975	0	56	0.0	-74.71	407.14	4.79	-69.92
O=C(NC1CN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC12CC2)C1=CC(=O)[N-]O1	REAL300030093975	1	56	0.0	-56.84	411.46	5.49	-51.35
O=C(NC1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030094016	0	51	0.0	-49.67	397.24	5.19	-44.48
O=C(NC1CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030094016	1	51	0.0	-56.76	396.82	5.45	-51.31
COCCCC[N@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030094068	0	58	0.0	-66.81	459.82	3.85	-62.96
COCCCC[N@@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030094068	1	58	0.0	-68.63	457.32	4.15	-64.48
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030094080	0	52	0.0	-60.58	404.48	3.93	-56.65
C[N@H+]1CC(C)(C)CC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030094080	1	52	0.0	-56.77	406.28	3.97	-52.80
C[NH+](C)CCCCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030094086	0	54	0.0	-66.73	427.41	5.27	-61.46
O=C(CC[NH+]1CCC(O)CC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030094092	0	53	0.0	-65.49	418.16	1.11	-64.38
CCC[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030094098	0	55	0.0	-58.38	423.09	4.94	-53.44
CCC[N@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030094098	1	55	0.0	-56.21	420.76	5.24	-50.97
CC[NH+]1CCN(CCC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)CC1	REAL300030094109	0	57	0.0	-65.70	441.13	2.67	-63.03
CCN1CC[NH+](CCC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)CC1	REAL300030094109	1	57	0.0	-63.39	441.66	2.70	-60.69
C[NH+]1CCN(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)CC1	REAL300030094113	1	51	0.0	-65.71	399.57	1.82	-63.89
CC(C)C[NH+]1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)CC1	REAL300030094256	0	58	0.0	-65.86	439.70	5.49	-60.37
CC1C[N@H+](C)CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)O1	REAL300030094259	1	50	0.0	-65.25	388.21	3.15	-62.10
CC1C[N@@H+](C)CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)O1	REAL300030094259	1	50	0.0	-65.23	388.19	3.15	-62.08
CCC1CCC[N@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030094301	0	55	0.0	-61.69	414.06	4.99	-56.70
CCC1CCC[N@@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030094301	1	55	0.0	-61.52	424.82	5.18	-56.34
C[NH+](C)CC1=CC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)N1	REAL300030094312	0	50	0.0	-66.81	402.39	3.92	-62.89
O=C(C[NH+]1CC2CC2C1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030094337	0	47	0.0	-61.99	376.09	4.20	-57.79
O=C(CC1([NH+]2CCCC2)CC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030094360	0	53	0.0	-60.24	405.66	5.10	-55.14
CC([NH2+]C1(CO)CCCC1)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030094383	0	56	0.0	-61.74	412.25	-0.12	-61.86
C[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030094420	0	49	0.0	-64.06	376.16	3.30	-60.76
C[N@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030094420	1	49	0.0	-55.75	369.70	3.41	-52.34
O=C(NC1CN(C(=O)C2CC[N@@H+]2CC2=CC=CC=C2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030094428	1	53	0.0	-63.90	435.34	6.03	-57.87
O=C(NC1CN(C(=O)C2CC[N@H+]2CC2=CC=CC=C2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030094428	1	53	0.0	-64.11	431.67	6.26	-57.85
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030094435	0	58	0.0	-62.45	431.16	5.76	-56.69
CC(C)C[N@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030094435	1	58	0.0	-62.34	437.80	5.78	-56.56
C[NH+](C)C1CCN(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)CC1	REAL300030094510	0	57	0.0	-66.58	433.89	3.02	-63.56
C[N@@H+]1CCC(=CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030094592	0	47	0.0	-68.59	381.96	3.55	-65.04
C[N@H+]1CCC(=CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030094592	1	47	0.0	-68.39	378.20	3.85	-64.54
O=C(CNC1=CC=[NH+]C=C1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030094600	0	45	0.0	-62.73	376.26	1.59	-61.14
CC[NH+]1CCN(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)CC1	REAL300030094673	0	54	0.0	-64.46	416.81	2.46	-62.00
O=C(C=C1C[NH+]2CCC1CC2)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030094676	0	51	0.0	-62.12	398.50	4.40	-57.72
C[NH+](C)C1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)CCCC1	REAL300030094732	0	52	0.0	-60.85	381.11	3.79	-57.06
C[N@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)[C@@H]1CCC[C@H]1O	REAL300030094749	0	53	0.0	-60.07	414.84	1.27	-58.80
C[N@@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)[C@@H]1CCC[C@H]1O	REAL300030094749	1	53	0.0	-61.16	414.83	1.29	-59.87
CCC1C[NH+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030094757	1	49	0.0	-63.29	393.21	4.17	-59.12
O=C(NC1CN(C(=O)C2C[NH+](C3CCOCC3)C2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030094761	0	54	0.0	-62.94	425.98	2.98	-59.96
O=C(NC1CN(C(=O)C2([NH+]3CCCC3)CCC2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030094764	0	53	0.0	-59.91	397.72	4.39	-55.52
C[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030094781	0	46	0.0	-60.07	362.35	3.22	-56.85
C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030094781	1	46	0.0	-58.87	362.44	2.53	-56.34
CC[N@@H+]1CCOCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030094823	0	53	0.0	-61.03	406.20	2.40	-58.63
O=C(NC1CN(C(=O)C2=CC(=O)NC3=C2CCC[NH2+]3)CC12CC2)C1=CC(=O)[N-]O1	REAL300030094832	0	50	0.0	-82.34	407.68	1.75	-80.59
O=C(NC1CN(C(=O)C2C[NH+](C3CCCCC3)C2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030094852	0	56	0.0	-64.77	432.20	5.65	-59.12
COC1C[N@@H+]2CCCC2(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030094874	0	54	0.0	-61.59	413.23	2.42	-59.17
COC1C[N@H+]2CCCC2(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030094874	1	54	0.0	-59.51	413.27	2.39	-57.12
NC1=CC=C(CCC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C=[NH+]1	REAL300030094887	0	48	0.0	-62.24	399.60	2.87	-59.37
O=C(CC1=CC2=C[NH+]=CN2C=C1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030094895	0	47	0.0	-62.81	395.06	6.53	-56.28
NC1=[NH+]C2=CC(C(=O)N3CC(NC(=O)C4=CC(=O)[N-]O4)C4(CC4)C3)=CC=C2N1	REAL300030094951	1	46	0.0	-75.12	381.80	3.17	-71.95
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030095007	0	49	0.0	-62.58	393.30	3.81	-58.77
C[NH+](C)CCC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)CCCC1	REAL300030095020	0	58	0.0	-65.62	433.62	5.39	-60.23
CC1CCCC(C)[NH+]1CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030095022	0	58	0.0	-60.75	431.13	5.46	-55.29
C[NH+](C)C1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)CC1	REAL300030095025	0	55	0.0	-66.13	410.98	4.41	-61.72
C[NH+](C)CCC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)CC1	REAL300030095026	0	52	0.0	-63.55	411.10	4.63	-58.92
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)CC1	REAL300030095031	0	55	0.0	-64.50	409.02	4.73	-59.77
C[N@@H+]1CC=CCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030095032	0	50	0.0	-59.48	391.99	4.41	-55.07
C[N@H+]1CC=CCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030095032	1	50	0.0	-59.48	391.99	4.41	-55.07
CC1=CC(C=CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)=CN=C1N	REAL300030095105	0	49	0.0	-63.09	404.54	3.30	-59.79
CC1=CC(C=CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)=C[NH+]=C1N	REAL300030095105	1	49	0.0	-63.09	404.54	3.30	-59.79
C[NH+](C)CCOCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030095122	0	49	0.0	-64.84	396.42	3.44	-61.40
CCCCC[N@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030095129	0	57	0.0	-63.84	447.65	5.57	-58.27
CCCCC[N@@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030095129	1	57	0.0	-63.84	447.65	5.57	-58.27
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)O1	REAL300030095144	0	53	0.0	-62.46	415.45	4.13	-58.33
[NH2+]=C1SC=CN1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030095179	0	42	0.0	-59.07	367.61	2.50	-56.57
C[C@@H](OCC[NH+](C)C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030095282	0	52	0.0	-61.75	414.92	3.65	-58.10
O=C(CC[NH+]1CCCCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030095365	0	55	0.0	-62.34	417.52	5.03	-57.31
O=C(C[NH+]1CCCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030095370	0	49	0.0	-61.21	385.57	3.92	-57.29
C[N@@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030095372	0	49	0.0	-63.74	387.50	3.54	-60.20
C[N@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030095372	1	49	0.0	-57.14	379.75	3.71	-53.43
O=C(C[NH+]1CCC(CO)CC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030095374	0	53	0.0	-63.83	413.96	1.49	-62.34
O=C(C[NH+]1CCCCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030095380	0	52	0.0	-60.63	394.95	4.13	-56.50
CN1C=C[N+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)=C1	REAL300030095387	0	44	0.0	-58.80	371.80	5.83	-52.97
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030095408	0	58	0.0	-65.57	424.67	4.86	-60.71
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030095408	1	58	0.0	-75.34	424.24	4.61	-70.73
C[NH+](C)CC1=CC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)O1	REAL300030095414	1	49	0.0	-65.78	401.83	4.17	-61.61
C[NH+](C)CC1=CC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C=N1	REAL300030095423	0	51	0.0	-68.21	412.54	3.22	-64.99
O=C(C[NH+]1CCC(O)CC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030095444	1	50	0.0	-65.95	393.37	0.83	-65.12
C[N@@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)C1CC1	REAL300030095451	1	46	0.0	-60.34	369.95	3.73	-56.61
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)N1CC[NH+](C)CC1	REAL300030095453	1	54	0.0	-70.41	410.39	1.58	-68.83
O=C(CC[N@@H+]1CCC(F)C1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030095459	1	49	0.0	-68.30	395.18	4.18	-64.12
COC1C[N@@H+](C)C(C)(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030095476	1	53	0.0	-61.66	404.81	1.77	-59.89
C[NH+](C)CCC1=CC=CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)=C1	REAL300030095498	0	55	0.0	-76.50	440.16	5.93	-70.57
CC(CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)C[NH+](C)C	REAL300030095504	0	51	0.0	-66.07	397.73	4.35	-61.72
O=C(NC1CN(C(=O)C2CC[N@@H+]3CCOCC23)CC12CC2)C1=CC(=O)[N-]O1	REAL300030095527	0	51	0.0	-67.23	399.61	2.19	-65.04
O=C(NC1CN(C(=O)C2CC[N@H+]3CCOCC23)CC12CC2)C1=CC(=O)[N-]O1	REAL300030095527	1	51	0.0	-62.29	394.26	2.25	-60.04
CC1=[NH+]C=C2C=CC(C(=O)N3CC(NC(=O)C4=CC(=O)[N-]O4)C4(CC4)C3)=CN21	REAL300030095536	0	47	0.0	-64.40	399.56	5.21	-59.19
CN1CCOCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030095560	0	50	0.0	-62.39	391.43	2.17	-60.22
C[N@@H+]1CCOCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030095560	1	50	0.0	-63.45	390.82	2.13	-61.32
C[N@H+]1CCOCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030095560	1	50	0.0	-62.39	391.43	2.17	-60.22
C[NH+](C)CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)C1=CC=CC=C1	REAL300030095570	0	55	0.0	-62.43	438.05	6.28	-56.15
CC[NH+]1CCN(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)CC1	REAL300030095576	0	54	0.0	-64.46	416.81	2.46	-62.00
CC1=CC(N)=[NH+]C=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030095650	1	45	0.0	-60.69	369.64	1.55	-59.14
NC1=CC=C(CCC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C=[NH+]1	REAL300030095653	0	48	0.0	-62.24	399.60	2.87	-59.37
CC1(O)CC[N@@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030095721	1	50	0.0	-57.04	396.99	0.69	-56.35
C[NH+](C)CCN1N=CC=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030095732	0	52	0.0	-64.96	415.34	3.49	-61.47
C[NH+]1CC(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030095772	0	46	0.0	-65.10	371.84	3.17	-61.93
O=C(NC1CN(C(=O)C2CC[N@H+]2C2CCCC2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030095778	1	53	0.0	-56.20	404.76	4.71	-51.49
C[NH+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030095788	0	42	0.0	-63.45	340.55	2.31	-61.14
C[N@H+](CCO)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030095835	0	49	0.0	-64.50	391.00	0.34	-64.16
C[N@@H+](CCO)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030095835	1	49	0.0	-64.13	390.94	0.35	-63.78
C[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)[NH+](C)C	REAL300030095836	0	45	0.0	-61.15	357.14	2.68	-58.47
C[N@@H+]1CCCCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030095864	0	52	0.0	-58.27	394.80	4.09	-54.18
C[N@H+]1CCCCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030095864	1	52	0.0	-57.99	392.28	4.39	-53.60
CC1=C2C=C(C(=O)N3CC(NC(=O)C4=CC(=O)[N-]O4)C4(CC4)C3)C=CN2C=[NH+]1	REAL300030095898	1	47	0.0	-66.43	400.22	6.00	-60.43
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)[NH+]1CC(C)C1	REAL300030095899	0	49	0.0	-60.62	388.21	3.84	-56.78
CC1CC[N@@H+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030095905	1	46	0.0	-58.53	374.37	3.10	-55.43
CC1CC[N@H+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030095905	1	46	0.0	-60.33	375.14	3.12	-57.21
C[NH+](C)CC=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030095926	0	46	0.0	-67.69	379.35	3.23	-64.46
CC1(C)C[NH+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C1	REAL300030095942	1	49	0.0	-62.07	391.11	3.92	-58.15
O=C(CCCC[NH+]1CCCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030095956	0	58	0.0	-64.17	449.60	6.03	-58.14
CC1=C(C)[NH+]=C(CCC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)N1	REAL300030095971	1	50	0.0	-58.92	411.76	3.70	-55.22
C[NH+]1CCC(C2(C(=O)N3CC(NC(=O)C4=CC(=O)[N-]O4)C4(CC4)C3)CC2)CC1	REAL300030095985	0	56	0.0	-63.81	427.44	5.48	-58.33
CC1=C2C=C(C(=O)N3CC(NC(=O)C4=CC(=O)[N-]O4)C4(CC4)C3)C=CN2C=[NH+]1	REAL300030095995	1	47	0.0	-66.43	400.22	6.00	-60.43
C[NH+](C)CCSCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030096008	0	49	0.0	-68.88	407.44	4.30	-64.58
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300030096029	0	55	0.0	-58.99	436.55	5.97	-53.02
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300030096029	1	55	0.0	-61.54	437.10	5.98	-55.56
NC1=[NH+]C2=C(C=C1C(=O)N1CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C1)CCCC2	REAL300030096033	1	52	0.0	-55.55	410.92	3.67	-51.88
O=C(C[N@H+]1CCCC1CO)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030096041	0	50	0.0	-56.46	395.19	0.97	-55.49
O=C(C[N@@H+]1CCCC1CO)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030096041	1	50	0.0	-56.20	388.90	0.56	-55.64
CC[NH+](CC)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030096044	0	48	0.0	-58.14	378.78	3.36	-54.78
C[N@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)C1CCSC1	REAL300030096057	0	50	0.0	-61.81	400.14	4.56	-57.25
C[N@@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)C1CCSC1	REAL300030096057	1	50	0.0	-67.60	399.82	4.56	-63.04
O=C(C[NH+]1CCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030096059	1	43	0.0	-62.79	350.85	2.79	-60.00
CC[NH+](CC)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030096125	0	51	0.0	-63.59	394.16	4.00	-59.59
NC(=O)C1CC[NH+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)CC1	REAL300030096151	0	53	0.0	-74.08	418.19	0.86	-73.22
C[NH+](C)CC1=CNC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)=C1	REAL300030096210	0	50	0.0	-67.41	402.41	3.75	-63.66
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)[NH+]1CCC(O)CC1	REAL300030096236	0	53	0.0	-72.64	401.48	0.89	-71.75
O=C(NC1CN(C(=O)C2CC3COCC[N@@H+]3C2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030096244	0	51	0.0	-64.38	396.27	2.54	-61.84
O=C(NC1CN(C(=O)C2CC3COCC[N@H+]3C2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030096244	1	51	0.0	-60.34	396.23	2.52	-57.82
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)[NH+]1CCC1	REAL300030096266	1	46	0.0	-60.44	364.82	3.11	-57.33
CCC(CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)C[NH+](C)C	REAL300030096278	0	54	0.0	-66.35	411.58	4.84	-61.51
NC1=CC=C(C=CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C=[NH+]1	REAL300030096287	0	46	0.0	-64.41	386.71	2.53	-61.88
C[NH+](C)CC(C)(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030096288	0	51	0.0	-59.39	379.82	3.68	-55.71
C[NH+](C)C(CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)C1=CC=CC=C1	REAL300030096333	0	55	0.0	-66.70	430.07	6.34	-60.36
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030096371	0	49	0.0	-56.92	371.92	3.07	-53.85
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030096371	1	49	0.0	-57.87	381.46	3.87	-54.00
CC1CN2CC[N@@H+]1CC2C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030096388	0	52	0.0	-56.45	392.01	0.65	-55.80
CC1CN2CC[N@H+]1CC2C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030096388	1	52	0.0	-63.76	389.64	0.99	-62.77
C[NH+](C)CC(O)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030096421	0	49	0.0	-68.50	393.03	1.39	-67.11
C[NH+]1C2CCC1CC(C(=O)N1CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C1)C2	REAL300030096424	0	53	0.0	-64.19	378.63	4.00	-60.19
C=CCC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)[NH+](C)C	REAL300030096478	0	49	0.0	-59.32	384.98	3.40	-55.92
O=C(NC1CN(C(=O)C2CC3CCCC[N@@H+]3C2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030096493	0	53	0.0	-61.00	405.87	4.91	-56.09
O=C(NC1CN(C(=O)C2CC3CCCC[N@H+]3C2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030096493	1	53	0.0	-64.35	408.09	4.59	-59.76
C[NH+]1CCC(C)(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)CC1	REAL300030096510	0	52	0.0	-53.63	389.46	3.87	-49.76
C[NH+]1CCC(O)(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)CC1	REAL300030096516	0	53	0.0	-66.72	411.36	2.70	-64.02
COCC[N@@H+]1CCCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030096532	0	56	0.0	-55.82	431.08	4.28	-51.54
COCC[N@H+]1CCCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030096532	1	56	0.0	-61.50	442.17	3.53	-57.97
C[NH+]1C2CCC1CC(CC(=O)N1CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C1)C2	REAL300030096547	0	56	0.0	-64.83	406.22	4.81	-60.02
C[NH+](C)CCN1N=CC=C1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030096584	0	52	0.0	-60.91	420.96	3.36	-57.55
C[NH+]1CCC(C2(C(=O)NC3CN(C(=O)C4=CC(=O)[N-]O4)CC34CC4)CC2)CC1	REAL300030096625	0	56	0.0	-72.21	427.41	5.38	-66.83
CC1=C2C=C(C(=O)NC3CN(C(=O)C4=CC(=O)[N-]O4)CC34CC4)C=CN2C=[NH+]1	REAL300030096636	1	47	0.0	-79.14	389.67	6.28	-72.86
C[NH+](C)CCSCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030096646	0	49	0.0	-80.48	404.25	4.15	-76.33
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C1CC2COCC[N@@H+]2C1	REAL300030096656	0	51	0.0	-73.64	395.73	2.58	-71.06
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C1CC2COCC[N@H+]2C1	REAL300030096656	1	51	0.0	-70.46	399.32	2.28	-68.18
C[N@@H+]1CCCC1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030096818	0	52	0.0	-71.53	383.15	4.66	-66.87
C[N@H+]1CCCC1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030096818	1	52	0.0	-76.66	383.11	4.65	-72.01
C[N@@H+]1CCOC(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030096842	1	53	0.0	-82.76	397.84	4.45	-78.31
C[N@H+]1CCOC(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030096842	1	53	0.0	-78.17	390.56	4.25	-73.92
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030096998	0	58	0.0	-66.48	420.51	6.08	-60.40
CC(C)[N@H+]1CCCC1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030096998	1	58	0.0	-74.86	416.07	6.57	-68.29
CC1=[NH+]C=CN1CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030097031	1	50	0.0	-72.76	393.87	5.83	-66.93
O=C(C1=CC(=O)[N-]O1)N1CCCC1C1CCN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300030097059	0	56	0.0	-88.51	402.31	5.72	-82.79
C[C@@H]1[C@H](C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030097093	0	55	0.0	-80.94	400.93	5.19	-75.75
C[C@@H]1[C@H](C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030097093	1	55	0.0	-82.96	405.75	5.37	-77.59
CC[C@@H]1[C@@H](C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030097095	0	58	0.0	-80.87	416.44	5.65	-75.22
CC[C@@H]1[C@@H](C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030097095	1	58	0.0	-77.40	419.16	6.09	-71.31
CC[N@@H+]1CCOC(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030097102	1	56	0.0	-78.71	405.88	4.84	-73.87
CC[N@H+]1CCOC(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030097102	1	56	0.0	-71.19	408.16	4.84	-66.35
CC[NH+](CC)CC(F)C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030097130	0	57	0.0	-79.95	426.09	6.03	-73.92
CC1CCC(C)[NH+]1CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030097166	0	58	0.0	-70.55	422.79	6.02	-64.53
O=C(CCC[NH+]1CCCC1)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030097169	0	58	0.0	-77.76	433.74	6.63	-71.13
O=C(CC[NH+]1CCCCC1)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030097172	0	58	0.0	-77.12	429.52	6.64	-70.48
CC[N@@H+]1CCCCC1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030097175	0	58	0.0	-72.29	415.75	6.06	-66.23
CC[N@H+]1CCCCC1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030097175	1	58	0.0	-69.48	423.85	6.33	-63.15
C[NH+](C)C1(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300030097186	0	55	0.0	-81.02	391.97	5.15	-75.87
CC(C)[C@@H](C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030097193	0	57	0.0	-72.05	407.92	5.85	-66.20
C[N@H+](CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030097218	0	55	0.0	-72.56	411.70	6.24	-66.32
C[N@@H+](CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030097218	1	55	0.0	-71.59	409.26	6.08	-65.51
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030097294	1	54	0.0	-73.66	409.79	5.87	-67.79
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030097294	1	54	0.0	-72.19	410.88	6.19	-66.00
C[N@@H+]1CCCC1CCC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030097299	0	58	0.0	-72.97	426.07	6.23	-66.74
C[N@H+]1CCCC1CCC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030097299	1	58	0.0	-77.73	425.45	6.16	-71.57
C[NH+]1CCC(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030097319	0	55	0.0	-84.66	406.75	5.63	-79.03
C[N@@H+]1CCCCC1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030097358	0	55	0.0	-76.64	396.21	5.38	-71.26
C[N@H+]1CCCCC1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030097358	1	55	0.0	-78.76	397.89	5.41	-73.35
O=C(C1=CC(=O)[N-]O1)N1CCCC1C1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300030097428	0	50	0.0	-68.93	398.09	7.53	-61.40
O=C(CC[NH+]1CCOCC1)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030097435	1	56	0.0	-80.56	420.83	4.20	-76.36
CC1=C[NH+]=CN1CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030097448	1	50	0.0	-73.51	394.19	6.55	-66.96
O=C(C1=CC(=O)[N-]O1)N1CCCC1C1CCN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300030097469	0	56	0.0	-66.18	401.72	5.55	-60.63
C[N@@H+]1CCC(CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030097480	0	55	0.0	-82.44	409.45	5.72	-76.72
C[N@H+]1CCC(CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030097480	1	55	0.0	-81.15	410.36	5.75	-75.40
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030097486	0	54	0.0	-70.71	413.46	4.07	-66.64
CCC(C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030097488	0	54	0.0	-75.97	395.54	5.21	-70.76
O=C(C1=CC(=O)[N-]O1)N1CCCC1C1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300030097515	1	50	0.0	-75.18	399.98	7.56	-67.62
C[NH+](C)CCCCC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030097547	0	57	0.0	-81.01	430.92	6.33	-74.68
CC(C)C(C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030097561	0	57	0.0	-76.91	410.50	5.81	-71.10
CCC[N@H+](C)CCC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030097562	0	57	0.0	-78.70	427.10	6.15	-72.55
CCC[N@@H+](C)CCC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030097562	1	57	0.0	-78.60	427.16	6.15	-72.45
CCC[N@H+](C)CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030097566	0	54	0.0	-73.65	402.37	5.51	-68.14
CCC[N@@H+](C)CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030097566	1	54	0.0	-74.36	404.82	5.59	-68.77
O=C(C1=CC(=O)[N-]O1)N1CCCC1C1CCN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300030097581	0	56	0.0	-79.28	398.04	4.99	-74.29
O=C(C1=CC(=O)[N-]O1)N1CCCC1C1CCN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300030097581	1	56	0.0	-78.05	396.75	5.00	-73.05
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030097607	0	52	0.0	-71.87	384.09	4.70	-67.17
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030097607	1	52	0.0	-69.03	387.67	5.04	-63.99
CC[NH+](CC)CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030097642	0	54	0.0	-73.04	397.05	5.24	-67.80
CC1CC[NH+](CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030097703	0	58	0.0	-75.17	427.35	6.67	-68.50
C[NH+](C)CC1(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030097725	0	55	0.0	-70.85	413.09	5.76	-65.09
C[NH+]1CCC(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030097778	0	55	0.0	-84.66	406.75	5.63	-79.03
CC(C)[C@H](C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030097794	0	57	0.0	-74.01	406.15	5.60	-68.41
CCC(C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030097822	0	60	0.0	-67.48	425.12	6.32	-61.16
CC[N@H+](C)CCC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030097863	0	54	0.0	-78.04	405.60	5.42	-72.62
CC[N@@H+](C)CCC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030097863	1	54	0.0	-78.15	405.60	5.42	-72.73
CC1CCC[N@@H+]1CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030097893	0	55	0.0	-71.13	411.62	5.82	-65.31
CC1CCC[N@H+]1CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030097893	1	55	0.0	-71.23	411.53	5.84	-65.39
CC1CC[N@H+](CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030097895	0	55	0.0	-72.57	408.47	5.77	-66.80
CC1CC[N@@H+](CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030097895	1	55	0.0	-73.33	408.94	5.87	-67.46
CC1(C)CC[N@H+](CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030097899	0	58	0.0	-73.59	429.41	6.51	-67.08
CC1(C)CC[N@@H+](CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030097899	1	58	0.0	-73.32	430.50	6.40	-66.92
C[N@H+](CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030097900	0	60	0.0	-73.70	430.98	6.50	-67.20
C[N@@H+](CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030097900	1	60	0.0	-74.28	435.97	6.73	-67.55
CC[C@@H](C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030097908	0	54	0.0	-72.17	394.66	5.21	-66.96
C[NH+](C)CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098012	0	48	0.0	-74.92	365.56	4.17	-70.75
O=C(C[NH+]1CCCCCC1)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098016	0	58	0.0	-74.18	416.41	6.30	-67.88
CN1C=C[N+](CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030098019	0	50	0.0	-72.45	394.37	7.61	-64.84
C[N@@H+]1CCCC(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030098024	0	55	0.0	-69.22	399.39	5.87	-63.35
C[N@H+]1CCCC(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030098024	1	55	0.0	-60.25	397.80	5.79	-54.46
O=C(C1=CC(=O)[N-]O1)N1CCCC1C1CCN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300030098029	0	56	0.0	-73.59	416.97	6.20	-67.39
O=C(C1=CC(=O)[N-]O1)N1CCCC1C1CCN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300030098029	1	56	0.0	-71.85	414.69	5.98	-65.87
CC(C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030098045	0	52	0.0	-73.00	382.20	4.69	-68.31
CCC(CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030098049	0	60	0.0	-80.93	436.81	6.68	-74.25
C[NH+](C)CC(C)(C)C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098054	0	57	0.0	-69.34	404.51	5.66	-63.68
O=C(C[NH+]1CCC(O)CC1)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098069	0	56	0.0	-79.81	417.59	2.71	-77.10
C[N@H+](CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030098070	0	52	0.0	-71.53	394.77	5.59	-65.94
C[N@@H+](CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030098070	1	52	0.0	-72.13	394.97	5.59	-66.54
C[NH+]1CC(CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030098086	0	52	0.0	-76.98	396.63	4.94	-72.04
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098097	0	58	0.0	-74.14	403.89	5.29	-68.85
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098097	1	58	0.0	-71.13	404.16	5.24	-65.89
C[C@@H](C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030098108	0	51	0.0	-73.35	380.39	4.46	-68.89
[NH2+]=C1SC=CN1CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098167	0	48	0.0	-69.85	392.54	4.44	-65.41
C[N@H+](CCO)CCC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098174	0	55	0.0	-77.11	416.01	2.19	-74.92
C[N@@H+](CCO)CCC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098174	1	55	0.0	-76.82	415.71	2.21	-74.61
C[C@@H](C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030098175	0	51	0.0	-73.35	380.39	4.46	-68.89
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098179	0	55	0.0	-73.85	397.87	5.42	-68.43
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098179	1	55	0.0	-70.42	404.81	5.79	-64.63
O=C(C[NH+]1CCC1)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098229	1	49	0.0	-75.10	375.81	4.66	-70.44
C[N@@H+]1CCC(=CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030098248	0	53	0.0	-81.56	402.56	5.70	-75.86
C[N@H+]1CCC(=CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030098248	1	53	0.0	-76.06	403.62	5.72	-70.34
C[NH+](C)CCOCC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098271	0	55	0.0	-68.23	419.35	5.29	-62.94
C=CCC(C)(C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030098285	0	58	0.0	-78.79	407.12	5.90	-72.89
C[S+](C)CCC(O)C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098289	0	54	0.0	-79.71	425.99	3.67	-76.04
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098308	0	56	0.0	-70.35	405.24	1.68	-68.67
CC1CN(CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030098327	0	52	0.0	-76.05	395.73	5.42	-70.63
CC1C[NH+](CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030098327	1	52	0.0	-76.05	395.73	5.42	-70.63
CN(CCO)CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098345	0	52	0.0	-76.07	393.67	1.61	-74.46
C[N@H+](CCO)CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098345	1	52	0.0	-76.03	393.48	1.69	-74.34
C[N@@H+](CCO)CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098345	1	52	0.0	-76.03	393.48	1.69	-74.34
CC[N@@H+]1CCCC(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030098365	0	58	0.0	-74.37	423.26	6.20	-68.17
CC[N@H+]1CCCC(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030098365	1	58	0.0	-74.37	423.26	6.20	-68.17
CC(CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030098367	0	57	0.0	-78.99	422.75	6.19	-72.80
CC[N@H+](C)CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098372	0	51	0.0	-74.23	383.32	4.84	-69.39
CC[N@H+](CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030098405	0	55	0.0	-73.01	406.84	6.08	-66.93
CC[NH+](CC)CCC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098415	0	57	0.0	-77.12	422.77	6.09	-71.03
CC1(C)CN(CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030098433	0	55	0.0	-74.81	414.03	5.73	-69.08
CC1(C)C[NH+](CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030098433	1	55	0.0	-74.81	414.03	5.73	-69.08
CC1(O)CC[N@H+](CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030098451	0	56	0.0	-73.44	420.24	2.65	-70.79
C[NH+](C)CC=CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098455	0	52	0.0	-72.10	399.96	5.39	-66.71
CC(OCC[NH+](C)C)C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098464	0	58	0.0	-62.29	436.52	5.75	-56.54
C[NH+](C)CCOCCC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098470	0	58	0.0	-79.40	442.32	5.00	-74.40
COCCN(C)CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098471	0	55	0.0	-75.98	415.73	4.09	-71.89
COCC[N@H+](C)CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098471	1	55	0.0	-75.37	415.82	4.09	-71.28
COCC[N@@H+](C)CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098471	1	55	0.0	-75.37	415.82	4.09	-71.28
C[NH+](C)C1(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030098491	0	58	0.0	-69.59	399.08	5.35	-64.24
CC(CCC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030098493	0	57	0.0	-83.16	418.59	5.91	-77.25
CC[N@@H+]1CCC1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098499	0	52	0.0	-70.12	397.10	5.17	-64.95
O=C(C[N@H+]1CCCC1CO)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098512	0	56	0.0	-73.41	414.01	2.34	-71.07
C[NH+]1CCC(C)(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030098534	0	58	0.0	-70.82	412.31	5.78	-65.04
C=CCC(C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030098553	0	55	0.0	-70.96	403.91	5.46	-65.50
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098560	0	58	0.0	-73.56	426.87	6.25	-67.31
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098560	1	58	0.0	-73.56	426.87	6.25	-67.31
C[NH+](C)CCCCCC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098562	0	60	0.0	-80.42	452.42	7.12	-73.30
O=C(C[NH+]1CC2CC2C1)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098567	0	53	0.0	-74.99	400.94	6.14	-68.85
CCCC(C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030098583	0	57	0.0	-74.00	415.46	5.85	-68.15
C[NH+](C)C(C)(C)C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098586	0	54	0.0	-81.82	383.34	5.12	-76.70
C[N@@H+]1CCCCC1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098612	0	55	0.0	-78.76	397.89	5.41	-73.35
C[N@H+]1CC=C(CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030098636	0	56	0.0	-73.02	423.57	6.53	-66.49
C[N@@H+]1CC=C(CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030098636	1	56	0.0	-73.02	423.57	6.53	-66.49
O=C(C=CC[NH+]1CCCC1)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098676	0	56	0.0	-80.32	425.36	6.44	-73.88
O=C(CC[NH+]1CCCC1)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098709	0	55	0.0	-78.42	412.26	5.83	-72.59
C[N@@H+]1CC2CC1(C(=O)N1CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030098738	0	53	0.0	-80.10	389.76	4.89	-75.21
O=C(C[N@@H+]1CC2CCC1C2)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098745	0	56	0.0	-68.68	411.44	6.28	-62.40
O=C(C[N@H+]1CC2CCC1C2)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098745	1	56	0.0	-68.68	411.44	6.28	-62.40
O=C(CN1CC2C=CC1C2)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098785	0	54	0.0	-69.71	401.98	5.94	-63.77
O=C(C[N@@H+]1CC2C=CC1C2)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098785	1	54	0.0	-66.86	404.94	6.04	-60.82
O=C(C[N@H+]1CC2C=CC1C2)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098785	1	54	0.0	-66.86	404.94	6.04	-60.82
CC(C[NH+](C)C)C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098817	0	54	0.0	-67.76	399.75	5.27	-62.49
C[N@@H+]1CCCCC1CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098867	0	58	0.0	-79.14	424.34	6.37	-72.77
C[N@H+]1CCCCC1CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098867	1	58	0.0	-69.46	417.28	6.31	-63.15
CC(C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300030098877	0	55	0.0	-72.84	412.46	5.60	-67.24
CC1CC[N@@H+]1CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098879	0	52	0.0	-74.24	396.74	5.35	-68.89
CC1CC[N@H+]1CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098879	1	52	0.0	-72.96	390.16	5.07	-67.89
C[NH+](C)CC(O)CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098882	0	55	0.0	-82.97	418.11	3.27	-79.70
CC1C[N@H+](C)CC(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030098902	1	56	0.0	-93.84	410.58	4.77	-89.07
CC1C[N@@H+](C)CC(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030098902	1	56	0.0	-89.20	412.03	4.87	-84.33
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030098949	0	55	0.0	-76.52	414.04	5.98	-70.54
CC(CC[NH+](C)C)C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098955	0	57	0.0	-79.00	425.25	5.89	-73.11
C[NH+]1CCN(CC(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030098974	1	57	0.0	-78.48	422.75	3.64	-74.84
NC(=[NH2+])SCC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098998	0	46	0.0	-67.77	372.01	1.08	-66.69
C[NH+](C)CCC1(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030099027	0	58	0.0	-79.92	435.95	6.52	-73.40
C[N@@H+]1CC=CCC1CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030099028	0	56	0.0	-69.82	411.80	6.18	-63.64
C[N@H+]1CC=CCC1CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030099028	1	56	0.0	-80.09	415.26	6.34	-73.75
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030099041	0	58	0.0	-75.08	434.72	5.72	-69.36
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030099132	0	52	0.0	-67.77	384.39	4.64	-63.13
C[N@H+]1CCC[C@H]1C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030099132	1	52	0.0	-67.77	384.39	4.64	-63.13
O=C(CC[N@H+]1CCC(F)C1)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030099138	0	55	0.0	-82.73	420.07	6.08	-76.65
CC1C(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030099157	0	55	0.0	-79.63	404.11	5.66	-73.97
CC1C(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030099157	1	55	0.0	-79.63	404.11	5.66	-73.97
CN1CCOCC1CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030099186	0	56	0.0	-67.60	407.50	3.95	-63.65
C[N@@H+]1CCOCC1CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030099186	1	56	0.0	-84.31	415.86	4.02	-80.29
C[N@H+]1CCOCC1CC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030099186	1	56	0.0	-84.31	415.86	4.02	-80.29
C[N@@H+]1CCCC1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030099357	0	52	0.0	-67.31	388.62	5.04	-62.27
C[N@H+]1CCCC1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030099357	1	52	0.0	-67.31	388.62	5.04	-62.27
O=C(CCN1CCOCC1)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030099535	0	56	0.0	-74.13	419.05	4.13	-70.00
O=C(CC[NH+]1CCOCC1)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030099535	1	56	0.0	-74.13	419.05	4.13	-70.00
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CC3=CN=CN3C=C2)C1	REAL300030099548	0	50	0.0	-75.76	398.52	7.54	-68.22
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300030099548	1	50	0.0	-75.76	398.52	7.54	-68.22
C[N@@H+]1CCC(CC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030099576	0	55	0.0	-71.11	410.82	5.77	-65.34
C[N@H+]1CCC(CC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030099576	1	55	0.0	-71.11	410.82	5.77	-65.34
CCC(C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030099583	0	54	0.0	-67.69	392.45	5.08	-62.61
C[NH+](C)CCCCC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030099618	0	57	0.0	-74.12	429.14	6.25	-67.87
CCC[N@H+](C)CCC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030099633	0	57	0.0	-75.88	426.83	6.14	-69.74
CCC[N@@H+](C)CCC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030099633	1	57	0.0	-75.88	426.83	6.14	-69.74
CCC[N@H+](C)CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030099636	0	54	0.0	-68.70	404.12	5.61	-63.09
CCC[N@@H+](C)CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030099636	1	54	0.0	-68.70	404.12	5.61	-63.09
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300030099648	0	56	0.0	-84.28	394.94	4.88	-79.40
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300030099648	1	56	0.0	-84.28	394.94	4.88	-79.40
CC1CC[NH+](CC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030099678	0	58	0.0	-69.01	427.46	6.70	-62.31
C[NH+](C)CC1(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030099709	0	55	0.0	-72.07	414.36	5.89	-66.18
CC[N@H+](C)CCC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030099725	0	54	0.0	-75.11	405.34	5.39	-69.72
CC[N@@H+](C)CCC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030099725	1	54	0.0	-75.11	405.34	5.39	-69.72
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2C[NH+]3CCC2CC3)C1	REAL300030099742	0	56	0.0	-77.47	401.48	5.60	-71.87
C[NH+]1CCC(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030099782	0	55	0.0	-75.94	403.38	5.44	-70.50
CCC(C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030099877	0	60	0.0	-63.83	422.87	5.93	-57.90
CC1CCC[N@@H+]1CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030099887	0	55	0.0	-66.88	409.76	5.76	-61.12
CC1CCC[N@H+]1CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030099887	1	55	0.0	-66.63	410.25	5.93	-60.70
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030099929	0	58	0.0	-68.68	415.20	6.48	-62.20
CC(C)[N@H+]1CCCC1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030099929	1	58	0.0	-69.05	419.84	6.12	-62.93
CC1CC[N@H+](CC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030099949	0	55	0.0	-68.95	409.00	5.80	-63.15
CC1CC[N@@H+](CC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030099949	1	55	0.0	-68.16	410.55	5.89	-62.27
CC1(C)CC[N@H+](CC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030099952	0	58	0.0	-68.98	428.75	6.35	-62.63
CC1(C)CC[N@@H+](CC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030099952	1	58	0.0	-67.93	430.45	6.48	-61.45
C[N@H+](CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030099953	0	60	0.0	-68.75	432.80	6.67	-62.08
C[N@@H+](CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030099953	1	60	0.0	-69.46	433.63	6.64	-62.82
CC[C@@H](C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030099960	0	54	0.0	-66.63	390.16	5.00	-61.63
CC1=[NH+]C=CN1CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030100071	1	50	0.0	-66.03	392.10	5.66	-60.37
CC[N@@H+]1CCOC(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030100127	1	56	0.0	-80.93	415.92	5.15	-75.78
CC[N@H+]1CCOC(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030100127	1	56	0.0	-82.96	414.36	4.80	-78.16
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300030100151	0	50	0.0	-73.96	398.37	7.53	-66.43
CC1=C[NH+]=CN1CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030100154	1	50	0.0	-66.61	393.55	6.41	-60.20
C[C@@H]1[C@H](C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030100160	0	55	0.0	-73.44	401.88	5.46	-67.98
C[C@@H]1[C@H](C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030100160	1	55	0.0	-76.98	406.44	5.34	-71.64
CC[C@@H]1[C@@H](C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030100162	0	58	0.0	-71.63	417.08	5.60	-66.03
CC[C@@H]1[C@@H](C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030100162	1	58	0.0	-66.35	422.31	6.25	-60.10
CC1CCC(C)[NH+]1CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030100168	0	58	0.0	-66.26	420.49	5.96	-60.30
O=C(CCC[NH+]1CCCC1)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030100171	0	58	0.0	-70.48	434.74	6.70	-63.78
O=C(CC[NH+]1CCCCC1)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030100174	0	58	0.0	-70.41	428.95	6.59	-63.82
C[N@H+](CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030100256	0	55	0.0	-66.67	408.73	6.00	-60.67
C[N@@H+](CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030100256	1	55	0.0	-67.54	409.64	6.05	-61.49
C[NH+]1CCC(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030100285	0	55	0.0	-75.94	403.38	5.44	-70.50
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030100309	0	52	0.0	-71.50	381.76	4.52	-66.98
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030100309	1	52	0.0	-70.11	386.96	5.00	-65.11
C[N@@H+]1CCCC1CCC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030100328	0	58	0.0	-74.42	430.92	6.59	-67.83
C[N@H+]1CCCC1CCC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030100328	1	58	0.0	-69.74	425.32	6.13	-63.61
CC1C(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030100436	0	55	0.0	-71.84	396.99	5.32	-66.52
CC1C(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030100436	1	55	0.0	-73.27	406.50	5.47	-67.80
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030100480	0	58	0.0	-67.01	425.51	5.87	-61.14
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030100480	1	58	0.0	-66.91	425.14	5.80	-61.11
C[C@@H](C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030100494	0	51	0.0	-69.09	380.12	4.43	-64.66
C=CCC(C)(C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030100508	0	58	0.0	-72.97	407.99	5.56	-67.41
O=C(CC[NH+]1CCCC1)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030100525	0	55	0.0	-70.82	411.66	5.78	-65.04
C[N@H+](CCO)CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030100534	1	52	0.0	-68.66	392.92	1.66	-67.00
C[N@@H+](CCO)CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030100534	1	52	0.0	-71.13	391.66	1.51	-69.62
C[N@H+]1CC=C(CC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030100585	0	56	0.0	-66.84	422.45	6.40	-60.44
C[N@@H+]1CC=C(CC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030100585	1	56	0.0	-64.37	422.82	6.45	-57.92
C[S+](C)CCC(O)C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030100593	0	54	0.0	-80.85	425.00	3.40	-77.45
CC1C[NH+](CC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030100633	1	52	0.0	-69.60	394.73	5.16	-64.44
CC[N@@H+]1CCCC(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030100637	0	58	0.0	-68.54	425.76	6.17	-62.37
CC[N@H+]1CCCC(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030100637	1	58	0.0	-61.74	415.19	6.26	-55.48
NC1=[NH+]C=CC=C1CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030100641	0	51	0.0	-65.24	397.95	3.92	-61.32
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300030100647	0	56	0.0	-70.04	416.14	6.16	-63.88
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300030100647	1	56	0.0	-65.65	413.10	6.27	-59.38
O=C(C=CC[NH+]1CCCC1)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030100673	0	56	0.0	-76.24	426.83	6.66	-69.58
CC[N@H+](C)CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030100708	0	51	0.0	-68.39	382.62	4.87	-63.52
O=C(CN1CC2C=CC1C2)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030100738	0	54	0.0	-67.24	404.39	6.12	-61.12
O=C(C[N@@H+]1CC2C=CC1C2)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030100738	1	54	0.0	-67.04	404.25	6.20	-60.84
O=C(C[N@H+]1CC2C=CC1C2)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030100738	1	54	0.0	-67.04	404.25	6.20	-60.84
CC(OCC[NH+](C)C)C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030100815	0	58	0.0	-69.70	434.92	5.44	-64.26
C[NH+](C)CCOCCC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030100822	0	58	0.0	-71.97	440.60	4.91	-67.06
COCCN(C)CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030100824	0	55	0.0	-71.13	413.91	3.91	-67.22
COCC[N@H+](C)CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030100824	1	55	0.0	-68.82	415.17	4.06	-64.76
COCC[N@@H+](C)CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030100824	1	55	0.0	-68.82	415.17	4.06	-64.76
CC(CCC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030100827	0	57	0.0	-70.53	421.14	5.87	-64.66
CC[N@H+](CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030100842	0	55	0.0	-65.78	411.25	6.24	-59.54
O=C(C[N@@H+]1CC2CCC1C2)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030100872	0	56	0.0	-66.91	409.08	6.14	-60.77
O=C(C[N@H+]1CC2CCC1C2)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030100872	1	56	0.0	-71.82	411.68	6.23	-65.59
CC(C[NH+](C)C)C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030100886	0	54	0.0	-72.38	402.32	5.25	-67.13
C[C@H](C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030100911	0	51	0.0	-69.13	380.11	4.42	-64.71
CC[N@@H+]1CCC1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030100916	1	52	0.0	-68.79	396.15	5.14	-63.65
CC[N@H+]1CCC1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030100916	1	52	0.0	-69.80	395.16	5.08	-64.72
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030100925	0	60	0.0	-68.65	427.76	4.69	-63.96
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030100950	1	54	0.0	-66.30	413.14	4.68	-61.62
NC1=CC=[NH+]C=C1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030100951	0	48	0.0	-71.10	371.87	2.14	-68.96
CCCC(C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030100959	0	57	0.0	-67.96	413.94	5.84	-62.12
CC(CC[NH+](C)C)C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030100976	0	57	0.0	-71.98	420.66	5.74	-66.24
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101032	0	58	0.0	-71.20	421.60	5.73	-65.47
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101032	1	58	0.0	-64.05	421.15	5.70	-58.35
C[NH+](C)CCCCCC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101034	0	60	0.0	-73.66	450.64	7.04	-66.62
C[NH+]1CCN(CC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030101041	1	57	0.0	-67.64	422.09	3.55	-64.09
CC1C[N@H+](C)CC(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030101089	1	56	0.0	-87.71	417.78	4.92	-82.79
CC1C[N@@H+](C)CC(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030101089	1	56	0.0	-78.91	411.59	4.96	-73.95
O=C(C[NH+]1CC2CC2C1)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101119	0	53	0.0	-70.97	399.13	5.95	-65.02
C[N@@H+]1CCCCC1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101140	0	55	0.0	-62.82	404.94	5.73	-57.09
C[N@H+]1CCCCC1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101140	1	55	0.0	-65.22	394.26	5.34	-59.88
C[N@@H+]1CCC(=CC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030101200	0	53	0.0	-76.59	402.40	5.70	-70.89
C[N@H+]1CCC(=CC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030101200	1	53	0.0	-76.25	401.45	5.80	-70.45
O=C(CNC1=CC=[NH+]C=C1)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101203	0	51	0.0	-72.28	399.49	3.37	-68.91
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101269	0	52	0.0	-66.57	384.92	4.94	-61.63
C[N@H+]1CCC[C@H]1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101269	1	52	0.0	-65.25	380.69	4.64	-60.61
NC1=CC=C(CCC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300030101307	0	54	0.0	-71.86	422.18	4.56	-67.30
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030101351	0	55	0.0	-67.76	414.04	5.86	-61.90
C[N@@H+]1CC=CCC1CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101359	0	56	0.0	-74.48	414.58	6.18	-68.30
C[N@H+]1CC=CCC1CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101359	1	56	0.0	-75.04	414.73	6.14	-68.90
C[NH+](C)CCOCC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101394	0	55	0.0	-73.13	421.00	5.35	-67.78
[NH2+]=C1SC=CN1CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101415	0	48	0.0	-66.14	390.86	4.26	-61.88
C[C@@H](OCC[NH+](C)C)C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101449	0	58	0.0	-63.51	436.00	5.46	-58.05
C[N@@H+]1CCCC(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030101472	0	55	0.0	-71.79	403.65	5.43	-66.36
C[N@H+]1CCCC(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030101472	1	55	0.0	-71.79	403.65	5.43	-66.36
O=C(C[NH+]1CCCCCC1)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101473	0	58	0.0	-68.96	417.89	6.53	-62.43
CN1C=C[N+](CC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030101477	0	50	0.0	-67.38	394.97	7.61	-59.77
O=C(CN1CCC(O)CC1)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101496	0	56	0.0	-73.27	417.70	2.75	-70.52
O=C(C[NH+]1CCC(O)CC1)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101496	1	56	0.0	-73.27	417.70	2.75	-70.52
C[N@H+](CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030101498	0	52	0.0	-66.96	394.32	5.56	-61.40
O=C(CC[N@H+]1CCC(F)C1)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101501	0	55	0.0	-77.07	418.33	5.94	-71.13
CC(CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030101520	0	57	0.0	-71.65	420.96	6.12	-65.53
CN1CCOCC1CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101539	0	56	0.0	-78.25	413.99	3.95	-74.30
C[N@@H+]1CCOCC1CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101539	1	56	0.0	-67.74	406.84	3.78	-63.96
C[N@H+]1CCOCC1CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101539	1	56	0.0	-67.74	406.84	3.78	-63.96
CC1=CC(N)=NC=C1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101568	0	51	0.0	-74.41	391.52	3.30	-71.11
CC1=CC(N)=[NH+]C=C1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101568	1	51	0.0	-74.41	391.52	3.30	-71.11
CC1(O)CC[N@H+](CC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030101594	0	56	0.0	-68.64	419.71	2.49	-66.15
C[NH+]1CC(CC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030101620	0	52	0.0	-69.71	395.22	4.94	-64.77
C[N@H+](CCO)CCC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101649	0	55	0.0	-74.49	415.66	2.16	-72.33
C[N@@H+](CCO)CCC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101649	1	55	0.0	-74.49	415.66	2.16	-72.33
C[N@@H+]1CCCCC1CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101663	0	58	0.0	-65.64	416.50	6.25	-59.39
C[N@H+]1CCCCC1CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101663	1	58	0.0	-65.64	416.50	6.25	-59.39
CC1CCN1CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101677	0	52	0.0	-67.70	389.62	4.90	-62.80
CC1CC[N@@H+]1CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101677	1	52	0.0	-67.15	396.22	5.23	-61.92
CC1CC[N@H+]1CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101677	1	52	0.0	-67.15	396.22	5.23	-61.92
C[NH+](C)CC=CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101682	0	52	0.0	-77.00	400.48	5.45	-71.55
CC1(C)CN(CC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030101687	0	55	0.0	-70.16	413.84	5.64	-64.52
CC1(C)C[NH+](CC(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030101687	1	55	0.0	-70.16	413.84	5.64	-64.52
C[NH+](C)CCSCC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101707	0	55	0.0	-79.06	432.09	6.23	-72.83
O=C(C[N@H+]1CCCC1CO)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101724	0	56	0.0	-67.85	419.86	2.70	-65.15
CC[NH+](CC)CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101728	0	54	0.0	-67.87	395.37	5.15	-62.72
O=C(CN1CCC1)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101737	0	49	0.0	-69.76	373.75	4.54	-65.22
O=C(C[NH+]1CCC1)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101737	1	49	0.0	-69.76	373.75	4.54	-65.22
CC[NH+](CC)CCC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101762	0	57	0.0	-72.08	417.38	5.76	-66.32
CC(C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)N1CCC1	REAL300030101806	0	52	0.0	-69.03	383.24	4.72	-64.31
CC(C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030101806	1	52	0.0	-69.03	383.24	4.72	-64.31
CCC(CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030101811	0	60	0.0	-71.53	436.60	6.93	-64.60
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101843	0	55	0.0	-68.07	404.25	5.64	-62.43
C[NH+](C)CC(O)CC(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101864	0	55	0.0	-76.07	416.37	3.01	-73.06
C=CCC(C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030101886	0	55	0.0	-64.95	402.35	5.33	-59.62
C[NH+](C)CCSCC(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101956	0	55	0.0	-72.78	430.38	6.14	-66.64
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@@H+]1C	REAL300030102115	0	48	0.0	-58.96	365.81	2.73	-56.23
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@H+]1C	REAL300030102115	1	48	0.0	-68.37	365.80	2.76	-65.61
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@H+](C)CCO1	REAL300030102139	1	49	0.0	-64.77	377.04	2.52	-62.25
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@@H+](C)CCO1	REAL300030102139	1	49	0.0	-72.22	383.13	2.63	-69.59
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCN1C=C[NH+]=C1C(C)C	REAL300030102323	1	55	0.0	-64.78	431.52	5.39	-59.39
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)[NH+]1CCCCCC1	REAL300030102330	0	57	0.0	-61.19	414.61	4.67	-56.52
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCCC[N@@H+]1C(C)C	REAL300030102332	0	57	0.0	-65.70	420.07	4.75	-60.95
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCCC[N@H+]1C(C)C	REAL300030102332	1	57	0.0	-62.29	420.08	4.77	-57.52
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@@H+]1C(C)C	REAL300030102366	0	54	0.0	-65.49	392.22	4.14	-61.35
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@H+]1C(C)C	REAL300030102366	1	54	0.0	-69.75	396.93	4.39	-65.36
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300030102392	0	55	0.0	-74.44	414.52	5.00	-69.44
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC2CCCC[N@H+]2C1	REAL300030102392	1	55	0.0	-67.06	414.37	4.99	-62.07
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1C=C[NH+]=C1C(C)C	REAL300030102425	1	52	0.0	-65.20	412.38	4.96	-60.24
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1C=C[NH+]=C1C	REAL300030102479	1	46	0.0	-66.99	375.53	3.85	-63.14
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)C[NH+]1CCOCC1	REAL300030102481	0	55	0.0	-72.33	418.09	2.98	-69.35
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCC[NH+]1CCCCC1	REAL300030102503	0	57	0.0	-71.01	431.78	5.43	-65.58
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)(C)[NH+]1CCCCC1	REAL300030102530	0	57	0.0	-70.79	416.22	5.22	-65.57
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[NH+]2CCC1CC2	REAL300030102549	0	52	0.0	-80.56	388.24	4.05	-76.51
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCCC2CCC[N@@H+]21	REAL300030102607	0	55	0.0	-60.03	410.03	5.04	-54.99
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCCC2CCC[N@H+]21	REAL300030102607	1	55	0.0	-64.03	402.51	4.80	-59.23
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300030102609	0	54	0.0	-76.93	430.06	3.69	-73.24
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300030102624	0	54	0.0	-82.57	430.41	3.69	-78.88
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300030102631	0	51	0.0	-63.17	382.74	3.35	-59.82
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300030102631	1	51	0.0	-70.12	387.45	3.41	-66.71
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC	REAL300030102634	1	55	0.0	-65.80	432.40	5.45	-60.35
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	REAL300030102637	0	54	0.0	-64.49	402.07	3.89	-60.60
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC	REAL300030102637	1	54	0.0	-66.27	407.12	4.45	-61.82
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@H+](CC)CCO1	REAL300030102663	1	52	0.0	-82.20	401.27	3.34	-78.86
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@@H+](CC)CCO1	REAL300030102663	1	52	0.0	-78.68	394.22	3.15	-75.53
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(F)C[NH+](CC)CC	REAL300030102723	0	53	0.0	-69.82	404.47	3.93	-65.89
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=C(C[NH+](C)C)C=CS1	REAL300030102724	0	51	0.0	-61.54	411.37	4.77	-56.77
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+]1C(C)CCC1C	REAL300030102829	0	54	0.0	-68.00	393.81	3.84	-64.16
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCC[NH+]1CCCC1	REAL300030102836	0	54	0.0	-70.30	415.85	4.71	-65.59
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300030102837	0	54	0.0	-71.87	423.77	5.68	-66.19
C#CC[NH+]1CCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2CC)CC1	REAL300030102844	0	53	0.0	-71.90	415.54	5.07	-66.83
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[NH+]1CCCCC1	REAL300030102845	0	54	0.0	-70.69	410.87	4.68	-66.01
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=CC=C1C[NH+](C)C	REAL300030102849	0	54	0.0	-60.59	416.66	5.88	-54.71
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCCC[N@@H+]1CC	REAL300030102858	0	54	0.0	-59.99	396.09	4.24	-55.75
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCCC[N@H+]1CC	REAL300030102858	1	54	0.0	-57.55	405.59	4.46	-53.09
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C(C)C)[NH+]1CCCCC1	REAL300030102859	0	60	0.0	-69.85	437.50	6.15	-63.70
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C1=CC=CC=C1)[NH+](C)C	REAL300030102862	1	54	0.0	-68.86	420.49	5.68	-63.18
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@H+](CC(C)C)C1	REAL300030102888	0	57	0.0	-67.30	430.55	5.09	-62.21
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@@H+](CC(C)C)C1	REAL300030102888	1	57	0.0	-66.86	430.19	5.15	-61.71
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1([NH+](C)C)CCC1	REAL300030102892	0	51	0.0	-64.84	380.30	3.73	-61.11
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(CN1C=CC=N1)[NH+](C)C	REAL300030102894	1	54	0.0	-59.69	414.99	3.80	-55.89
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1CCC[N@@H+]1C(C)C	REAL300030102899	0	57	0.0	-53.89	415.03	4.66	-49.23
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1CCC[N@H+]1C(C)C	REAL300030102899	1	57	0.0	-59.72	415.68	4.29	-55.43
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300030102900	0	58	0.0	-66.64	432.37	5.80	-60.84
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@H+]1C1CCCC1	REAL300030102900	1	58	0.0	-63.57	427.72	5.32	-58.25
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H](C(C)C)[NH+](C)C	REAL300030102921	0	53	0.0	-60.03	391.64	4.26	-55.77
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+](C)C1CCC1	REAL300030102983	0	51	0.0	-62.20	392.09	4.22	-57.98
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+](C)C1CCC1	REAL300030102983	1	51	0.0	-68.03	392.54	4.22	-63.81
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)[NH+]1C(C)CCC1C	REAL300030103069	0	57	0.0	-60.24	405.71	4.00	-56.24
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCN(C)C1=CC=[NH+]C=C1	REAL300030103148	0	53	0.0	-70.93	421.46	3.90	-67.03
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC	REAL300030103160	1	50	0.0	-59.71	392.20	3.97	-55.74
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC	REAL300030103160	1	50	0.0	-66.41	399.41	4.47	-61.94
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCC1CCC[N@@H+]1C	REAL300030103170	0	54	0.0	-64.93	407.68	4.25	-60.68
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCC1CCC[N@H+]1C	REAL300030103170	1	54	0.0	-70.18	408.70	4.28	-65.90
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2	REAL300030103183	0	55	0.0	-67.56	403.21	4.42	-63.14
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC2CCCC[N@@H+]21	REAL300030103191	0	55	0.0	-58.67	407.63	4.68	-53.99
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC2CCCC[N@H+]21	REAL300030103191	1	55	0.0	-59.33	413.12	5.07	-54.26
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1	REAL300030103199	0	58	0.0	-68.27	426.60	3.25	-65.02
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCCC[NH+]1CCCC1	REAL300030103219	0	57	0.0	-71.21	437.43	5.55	-65.66
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300030103222	1	54	0.0	-68.29	422.45	5.76	-62.53
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300030103222	1	54	0.0	-74.58	423.40	5.83	-68.75
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[NH+](C)CC1	REAL300030103239	0	51	0.0	-67.60	390.39	3.89	-63.71
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=NOC(C[NH+](C)C)=C1	REAL300030103299	1	50	0.0	-76.56	403.88	3.19	-73.37
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=C(C)N2C=[NH+]C=C2C=C1	REAL300030103301	0	49	0.0	-67.24	389.83	6.04	-61.20
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCCC[N@@H+]1C	REAL300030103344	0	51	0.0	-65.50	387.57	3.79	-61.71
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCCC[N@H+]1C	REAL300030103344	1	51	0.0	-63.61	388.71	3.84	-59.77
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@@H+]1CC(C)C	REAL300030103375	0	57	0.0	-63.15	430.46	5.43	-57.72
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@H+]1CC(C)C	REAL300030103375	1	57	0.0	-69.82	425.03	4.89	-64.93
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300030103532	0	46	0.0	-68.31	375.91	5.67	-62.64
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCCN1C=C[NH+]=C1C	REAL300030103545	1	52	0.0	-68.50	417.11	5.13	-63.37
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCCC[NH+]1CCOCC1	REAL300030103549	1	58	0.0	-74.27	444.38	3.83	-70.44
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300030103555	0	54	0.0	-78.16	423.87	5.66	-72.50
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[NH+]1CCOCC1	REAL300030103556	1	52	0.0	-73.65	401.38	2.24	-71.41
CCC[NH+](CCC)CCCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC	REAL300030103581	0	62	0.0	-72.01	464.82	6.15	-65.86
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1C=[NH+]C=C1C	REAL300030103601	1	46	0.0	-61.54	375.50	4.51	-57.03
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1C=[NH+]C2=C1CCCC2	REAL300030103612	1	53	0.0	-65.84	418.33	6.30	-59.54
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(C[NH+](C)C)CCCCC1	REAL300030103656	0	60	0.0	-52.95	423.16	5.44	-47.51
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[N@H+](C)C1CCCCC1	REAL300030103662	0	60	0.0	-72.84	445.15	5.81	-67.03
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[N@@H+](C)C1CCCCC1	REAL300030103662	1	60	0.0	-71.97	445.15	5.81	-66.16
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CCC[NH+]1CCC2	REAL300030103667	0	52	0.0	-64.35	389.31	4.04	-60.31
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCCC([NH+](C)C)C1	REAL300030103706	0	57	0.0	-63.23	418.03	4.84	-58.39
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1CC[N@H+](C)C1	REAL300030103711	0	51	0.0	-67.71	392.19	3.80	-63.91
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1CC[N@@H+](C)C1	REAL300030103711	1	51	0.0	-73.21	393.53	3.79	-69.42
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=C[NH+]=CC=C1N(C)C	REAL300030103725	0	50	0.0	-78.30	397.46	3.03	-75.27
CCC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC)[NH+](C)C	REAL300030103731	0	50	0.0	-64.87	377.19	3.27	-61.60
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1([NH+](C)C)CCCC1	REAL300030103751	0	57	0.0	-68.87	410.12	4.64	-64.23
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300030103816	1	46	0.0	-73.01	376.18	5.67	-67.34
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300030103859	1	49	0.0	-80.23	405.43	3.62	-76.61
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCCC[NH+](C)C	REAL300030103893	0	53	0.0	-72.77	411.47	4.37	-68.40
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C(C)C)[NH+](C)C	REAL300030103915	0	53	0.0	-64.39	393.77	4.26	-60.13
CCC[N@H+](C)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC	REAL300030103917	0	53	0.0	-71.91	407.70	4.19	-67.72
CCC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC	REAL300030103917	1	53	0.0	-72.27	408.33	4.19	-68.08
CCC[N@H+](C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC	REAL300030103923	0	50	0.0	-64.87	384.97	3.57	-61.30
CCC[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC	REAL300030103923	1	50	0.0	-69.77	385.96	3.64	-66.13
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CC[N@H+](C1)CCC2	REAL300030103953	0	52	0.0	-72.76	388.70	3.43	-69.33
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CC[N@@H+](C1)CCC2	REAL300030103953	1	52	0.0	-66.32	387.42	3.41	-62.91
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H]1CCC[N@@H+]1C	REAL300030104017	0	48	0.0	-64.01	370.79	3.22	-60.79
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H]1CCC[N@H+]1C	REAL300030104017	1	48	0.0	-68.65	365.74	2.72	-65.93
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC2CC(C)C[N@@H+]2C1	REAL300030104044	0	58	0.0	-62.96	433.65	5.51	-57.45
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC2CC(C)C[N@H+]2C1	REAL300030104044	1	58	0.0	-63.83	428.85	5.77	-58.06
CCCCCC[N@H+](C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC	REAL300030104095	0	59	0.0	-71.18	450.44	5.99	-65.19
CCCCCC[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC	REAL300030104095	1	59	0.0	-70.98	450.45	5.97	-65.01
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C(C)C)[NH+](CC)CC	REAL300030104104	0	59	0.0	-56.58	422.92	5.48	-51.10
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+](CC)CC	REAL300030104114	0	50	0.0	-64.13	381.36	3.51	-60.62
CCC[N@@H+]1CCCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2CC)C1	REAL300030104148	0	57	0.0	-61.85	423.11	5.43	-56.42
CCC[N@H+]1CCCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2CC)C1	REAL300030104148	1	57	0.0	-64.71	429.46	5.19	-59.52
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@@H+](C(C)C)CCO1	REAL300030104171	1	55	0.0	-73.27	410.68	3.67	-69.60
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@H+](C(C)C)CCO1	REAL300030104171	1	55	0.0	-75.80	417.78	3.80	-72.00
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+]1CCC(C)CC1	REAL300030104211	0	54	0.0	-70.40	408.69	4.72	-65.68
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300030104242	1	49	0.0	-77.37	405.40	3.69	-73.68
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)COC1CC[NH+](C)CC1	REAL300030104251	0	55	0.0	-77.86	426.72	4.32	-73.54
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(C[NH+](C)C)CC1	REAL300030104268	0	51	0.0	-65.42	395.27	4.22	-61.20
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC2=C[NH+]=C(C)N2C1	REAL300030104269	1	53	0.0	-61.68	413.38	4.93	-56.75
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[NH+](C(C)C)CC1	REAL300030104370	0	57	0.0	-73.54	422.08	4.87	-68.67
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[NH+](C)CC1	REAL300030104400	0	51	0.0	-67.60	390.39	3.89	-63.71
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C	REAL300030104423	0	53	0.0	-67.54	389.47	3.67	-63.87
CCC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC)[NH+](CC)CC	REAL300030104460	0	56	0.0	-60.77	412.03	4.53	-56.24
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[N@H+](C)CC	REAL300030104555	0	50	0.0	-71.38	386.20	3.46	-67.92
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[N@@H+](C)CC	REAL300030104555	1	50	0.0	-71.35	386.84	3.42	-67.93
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+]1CCCC1C	REAL300030104631	0	51	0.0	-62.02	384.48	3.60	-58.42
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+]1CCCC1C	REAL300030104631	1	51	0.0	-67.50	392.11	4.04	-63.46
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+]1CCC(C)C1	REAL300030104633	0	51	0.0	-64.25	391.45	3.91	-60.34
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+]1CCC(C)C1	REAL300030104633	1	51	0.0	-69.25	391.47	3.98	-65.27
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(F)CC[N@@H+](C(C)(C)C)C1	REAL300030104634	0	57	0.0	-58.26	427.87	4.51	-53.75
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(F)CC[N@H+](C(C)(C)C)C1	REAL300030104634	1	57	0.0	-69.11	428.19	4.53	-64.58
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCN2C(=C[NH+]=C2C)C1	REAL300030104636	1	53	0.0	-70.01	415.69	4.98	-65.03
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1	REAL300030104639	0	54	0.0	-69.06	411.80	4.49	-64.57
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+]1CCC(C)(C)C1	REAL300030104639	1	54	0.0	-63.74	410.63	4.42	-59.32
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+](C)CC(C)(C)C	REAL300030104640	0	56	0.0	-69.06	416.87	4.80	-64.26
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+](C)CC(C)(C)C	REAL300030104640	1	56	0.0	-64.93	413.58	4.56	-60.37
CC[C@@H](C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC)[NH+](C)C	REAL300030104651	0	50	0.0	-59.64	376.40	3.17	-56.47
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)COCC(C)[NH+]1CCCC1	REAL300030104659	0	58	0.0	-67.09	444.30	4.93	-62.16
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[NH+](CC2CC2)CC1	REAL300030104747	0	58	0.0	-75.76	440.21	6.10	-69.66
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1(O)CC[NH+](C)CC1	REAL300030104897	0	55	0.0	-73.83	417.34	2.54	-71.29
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1CCC[N@@H+]1CCOC	REAL300030104904	0	58	0.0	-65.83	437.22	3.27	-62.56
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1CCC[N@H+]1CCOC	REAL300030104904	1	58	0.0	-66.50	441.18	3.89	-62.61
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+](C)C	REAL300030104912	0	44	0.0	-70.10	346.10	2.23	-67.87
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+]1CCC(CO)CC1	REAL300030104917	1	55	0.0	-71.25	419.91	1.42	-69.83
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+]1CCCCCC1	REAL300030104921	0	54	0.0	-70.11	397.09	4.28	-65.83
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N+]1=CN(C)C=C1	REAL300030104926	0	46	0.0	-65.87	377.97	5.74	-60.13
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@H+](C)C1	REAL300030104937	0	51	0.0	-65.72	390.39	3.83	-61.89
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@@H+](C)C1	REAL300030104937	1	51	0.0	-65.28	385.11	4.09	-61.19
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@@H+]1C1CC1	REAL300030104943	0	52	0.0	-62.44	390.64	4.03	-58.41
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@H+]1C1CC1	REAL300030104943	1	52	0.0	-60.78	398.09	4.56	-56.22
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)[NH+]1CCC1	REAL300030104980	1	48	0.0	-61.83	373.93	3.25	-58.58
CCC(CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC)C[NH+](C)C	REAL300030104989	0	56	0.0	-67.31	420.68	4.77	-62.54
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)(C)C[NH+](C)C	REAL300030104998	0	53	0.0	-70.74	393.93	3.90	-66.84
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300030105021	0	53	0.0	-70.17	396.26	4.49	-65.68
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300030105021	1	53	0.0	-66.75	396.46	5.12	-61.63
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+]1CCC(O)CC1	REAL300030105044	1	52	0.0	-74.51	399.32	0.77	-73.74
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+](C)C1CC1	REAL300030105046	0	48	0.0	-67.08	375.54	3.64	-63.44
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+](C)C1CC1	REAL300030105046	1	48	0.0	-67.14	375.38	3.64	-63.50
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)N1CC[NH+](C)CC1	REAL300030105047	1	56	0.0	-66.87	424.03	2.18	-64.69
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1C[NH+](C)C1	REAL300030105076	0	48	0.0	-69.25	377.40	3.06	-66.19
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@@H+]1C1CCCC1	REAL300030105080	0	55	0.0	-66.61	409.41	4.57	-62.04
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@H+]1C1CCCC1	REAL300030105080	1	55	0.0	-66.93	416.05	4.99	-61.94
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300030105088	0	54	0.0	-65.93	408.87	3.99	-61.94
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@H+]1C(C)(C)C	REAL300030105088	1	54	0.0	-67.49	407.57	3.94	-63.55
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300030105099	0	54	0.0	-65.48	422.17	2.72	-62.76
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H](C)[NH+](C)C	REAL300030105102	0	47	0.0	-66.20	364.91	2.64	-63.56
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+]1CCCC(CC)C1	REAL300030105154	0	57	0.0	-70.04	427.81	5.36	-64.68
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+]1CCCC(CC)C1	REAL300030105154	1	57	0.0	-64.77	426.81	5.33	-59.44
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=C(C[NH+](C)C)N1	REAL300030105163	0	52	0.0	-80.63	413.45	3.67	-76.96
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1CC2CCC(C1)[NH+]2C	REAL300030105178	0	58	0.0	-62.17	423.94	5.07	-57.10
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1C=CSC1=[NH2+]	REAL300030105224	0	44	0.0	-66.91	373.81	2.41	-64.50
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[N@H+](C)CCO	REAL300030105237	0	51	0.0	-72.08	397.19	0.22	-71.86
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[N@@H+](C)CCO	REAL300030105237	1	51	0.0	-70.07	396.51	0.23	-69.84
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H](C)[NH+](C)C	REAL300030105238	0	47	0.0	-66.20	364.91	2.64	-63.56
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H]1CCCC[N@@H+]1C	REAL300030105242	0	51	0.0	-65.78	387.68	3.77	-62.01
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H]1CCCC[N@H+]1C	REAL300030105242	1	51	0.0	-66.64	378.45	3.63	-63.01
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@@H+]2CCN1CC2C	REAL300030105252	0	54	0.0	-71.22	397.77	1.14	-70.08
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@H+]2CCN1CC2C	REAL300030105252	1	54	0.0	-68.30	399.63	1.22	-67.08
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CCC[N@@H+]1CC(OC)C2	REAL300030105301	0	56	0.0	-70.99	423.50	3.18	-67.81
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CCC[N@H+]1CC(OC)C2	REAL300030105301	1	56	0.0	-70.99	423.88	3.13	-67.86
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1=CC2=C[NH+]=CN2C=C1	REAL300030105317	0	49	0.0	-66.84	400.15	6.35	-60.49
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+](C)C1CCSC1	REAL300030105350	0	52	0.0	-68.60	404.99	4.43	-64.17
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+](C)C1CCSC1	REAL300030105350	1	52	0.0	-75.39	405.79	4.48	-70.91
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=NC(C[NH+](C)C)=C1	REAL300030105389	1	53	0.0	-69.21	419.91	4.22	-64.99
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C=C1CC[N@H+](C)C1	REAL300030105391	0	49	0.0	-70.74	384.13	3.68	-67.06
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C=C1CC[N@@H+](C)C1	REAL300030105391	1	49	0.0	-73.44	384.01	3.79	-69.65
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[NH+](C2CCCCC2)C1	REAL300030105418	0	58	0.0	-74.51	438.43	5.61	-68.90
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)COCC[NH+](C)C	REAL300030105436	0	51	0.0	-68.75	401.61	3.22	-65.53
CCCCC[N@H+](C)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC	REAL300030105443	0	59	0.0	-73.02	451.33	5.74	-67.28
CCCCC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC	REAL300030105443	1	59	0.0	-73.15	451.33	5.74	-67.41
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300030105453	0	55	0.0	-69.07	424.72	4.15	-64.92
C=CCC(C)(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC)[NH+](C)C	REAL300030105465	0	54	0.0	-68.54	397.86	4.04	-64.50
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(O)CC[S+](C)C	REAL300030105470	0	50	0.0	-77.80	410.64	1.83	-75.97
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(C)CC(O)C[N@@H+]1C	REAL300030105505	0	52	0.0	-74.40	390.67	0.35	-74.05
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CN(C)CC[N@H+](C)C1	REAL300030105520	0	56	0.0	-71.40	415.64	1.81	-69.59
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CN(C)CC[N@@H+](C)C1	REAL300030105520	1	56	0.0	-71.40	415.64	1.81	-69.59
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)[N@@H+]1CCCC(O)C1	REAL300030105521	0	55	0.0	-60.59	414.78	1.34	-59.25
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1CCC(CO)CC1	REAL300030105536	0	55	0.0	-71.25	419.91	1.42	-69.83
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+]1CCC(CO)CC1	REAL300030105536	1	55	0.0	-71.25	419.91	1.42	-69.83
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1(O)CCC[N@H+](C)C1	REAL300030105546	0	55	0.0	-65.98	406.44	2.38	-63.60
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1(O)CCC[N@@H+](C)C1	REAL300030105546	1	55	0.0	-65.98	406.44	2.38	-63.60
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1CC(C)C1	REAL300030105550	0	48	0.0	-69.90	376.19	3.37	-66.53
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+]1CC(C)C1	REAL300030105550	1	48	0.0	-69.90	376.19	3.37	-66.53
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1CCC(C(N)=O)CC1	REAL300030105555	0	55	0.0	-77.64	423.87	0.77	-76.87
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+]1CCC(C(N)=O)CC1	REAL300030105555	1	55	0.0	-77.64	423.87	0.77	-76.87
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN(C)CCO	REAL300030105580	0	48	0.0	-64.18	373.83	-0.40	-64.58
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+](C)CCO	REAL300030105580	1	48	0.0	-70.94	374.60	-0.33	-71.27
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+](C)CCO	REAL300030105580	1	48	0.0	-70.94	374.60	-0.33	-71.27
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C=C1CC2CCC(C1)[NH+]2C	REAL300030105603	0	56	0.0	-67.40	418.86	5.11	-62.29
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@@H+]2CCN1CCC2	REAL300030105608	0	54	0.0	-70.35	394.58	1.55	-68.80
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@H+]2CCN1CCC2	REAL300030105608	1	54	0.0	-70.35	394.58	1.55	-68.80
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@H+](CC)C1	REAL300030105617	0	54	0.0	-64.65	402.72	4.72	-59.93
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@@H+](CC)C1	REAL300030105617	1	54	0.0	-64.65	402.72	4.72	-59.93
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC(C)C[NH+](C)C	REAL300030105619	0	53	0.0	-69.52	402.76	4.17	-65.35
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+](C)CC	REAL300030105635	0	47	0.0	-64.56	363.47	2.83	-61.73
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CCC[N@@H+]1CCCC2	REAL300030105664	0	55	0.0	-66.09	401.69	4.76	-61.33
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CCC[N@H+]1CCCC2	REAL300030105664	1	55	0.0	-66.09	401.69	4.76	-61.33
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CCC[N@@H+]1CC=CC2	REAL300030105674	0	53	0.0	-63.86	394.50	4.56	-59.30
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CCC[N@H+]1CC=CC2	REAL300030105674	1	53	0.0	-63.86	394.50	4.56	-59.30
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+](CC)C1CC1	REAL300030105702	0	51	0.0	-67.03	395.38	4.27	-62.76
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[NH+](CC)CC	REAL300030105727	0	53	0.0	-71.13	399.71	3.88	-67.25
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCCC[NH+]1CCCCC1	REAL300030105767	0	60	0.0	-71.42	453.73	6.24	-65.18
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+]1CCC(C)(O)C1	REAL300030105802	0	52	0.0	-68.32	402.12	0.65	-67.67
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C=CC[NH+](C)C	REAL300030105815	0	48	0.0	-72.92	384.10	3.50	-69.42
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)OCC[NH+](C)C	REAL300030105842	0	54	0.0	-68.82	421.54	3.98	-64.84
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCOCC[NH+](C)C	REAL300030105853	0	54	0.0	-69.47	422.93	3.03	-66.44
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+](C)CCOC	REAL300030105854	1	51	0.0	-64.17	396.08	2.00	-62.17
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+](C)CCOC	REAL300030105854	1	51	0.0	-66.72	395.87	2.00	-64.72
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[N@H+](C)CCCCOC	REAL300030105886	0	60	0.0	-76.09	463.50	4.05	-72.04
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[N@@H+](C)CCCCOC	REAL300030105886	1	60	0.0	-75.69	462.87	4.04	-71.65
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1([NH+](C)C)CCCC1	REAL300030105912	0	54	0.0	-77.22	396.73	4.58	-72.64
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCC(C)[NH+](C)C	REAL300030105915	0	53	0.0	-71.58	399.14	3.96	-67.62
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@@H+]1CC	REAL300030105925	1	48	0.0	-66.50	371.00	2.89	-63.61
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@H+]1CC	REAL300030105925	1	48	0.0	-68.29	371.24	2.96	-65.33
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@@H+](C(C)C)C1	REAL300030105938	0	57	0.0	-64.78	424.63	4.97	-59.81
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@H+](C(C)C)C1	REAL300030105938	1	57	0.0	-61.18	419.50	5.24	-55.94
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+]1CCCC1CO	REAL300030105953	0	52	0.0	-63.02	399.00	0.84	-62.18
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+]1CCCC1CO	REAL300030105953	1	52	0.0	-63.03	399.82	0.66	-62.37
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300030105980	0	55	0.0	-74.44	414.52	5.00	-69.44
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC2CCCC[N@H+]2C1	REAL300030105980	1	55	0.0	-67.06	414.37	4.99	-62.07
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(C)CC[NH+](C)CC1	REAL300030105989	0	54	0.0	-72.47	403.05	4.24	-68.23
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC(C[NH+](C)C)=CN1	REAL300030105995	0	52	0.0	-76.45	413.26	3.57	-72.88
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)[NH+]1CCC(O)CC1	REAL300030106016	1	55	0.0	-69.46	410.09	1.06	-68.40
C=CCC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC)[NH+](C)C	REAL300030106032	0	51	0.0	-66.28	389.57	3.73	-62.55
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC(C)(C)C[N@@H+]1C	REAL300030106050	0	54	0.0	-57.62	406.10	3.78	-53.84
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC(C)(C)C[N@H+]1C	REAL300030106050	1	54	0.0	-68.79	405.50	3.91	-64.88
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCCCC[NH+](C)C	REAL300030106055	0	56	0.0	-72.22	432.97	5.16	-67.06
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+]1CC2CC2C1	REAL300030106066	0	49	0.0	-64.98	381.18	4.10	-60.88
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@@H+]2CCN1C(C)C2	REAL300030106103	0	54	0.0	-82.24	399.61	1.26	-80.98
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@H+]2CCN1C(C)C2	REAL300030106103	1	54	0.0	-62.65	398.88	1.27	-61.38
CCCC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC)[NH+](C)C	REAL300030106104	0	53	0.0	-70.72	398.46	4.00	-66.72
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)(C)[NH+](C)C	REAL300030106109	0	50	0.0	-76.65	374.72	3.24	-73.41
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CSCC[NH+](CC)CC	REAL300030106150	0	57	0.0	-70.76	448.34	5.47	-65.29
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCCC[N@@H+]1C	REAL300030106162	0	51	0.0	-65.50	387.57	3.79	-61.71
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCCC[N@H+]1C	REAL300030106162	1	51	0.0	-63.61	388.71	3.84	-59.77
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1=CC[N@H+](C)CC1	REAL300030106214	0	52	0.0	-65.92	404.89	4.49	-61.43
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1=CC[N@@H+](C)CC1	REAL300030106214	1	52	0.0	-64.34	404.94	4.49	-59.85
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1([NH+]2CCCC2)CC1	REAL300030106224	0	55	0.0	-62.94	411.84	4.94	-58.00
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)(C)C1CCC[N@H+](C)C1	REAL300030106283	0	60	0.0	-68.75	435.77	5.30	-63.45
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)(C)C1CCC[N@@H+](C)C1	REAL300030106283	1	60	0.0	-68.75	435.77	5.30	-63.45
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=C(CN(C)C)O1	REAL300030106288	0	51	0.0	-77.07	410.29	3.99	-73.08
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=C(C[NH+](C)C)O1	REAL300030106288	1	51	0.0	-77.07	410.29	3.99	-73.08
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C=CC[NH+]1CCCC1	REAL300030106312	0	52	0.0	-67.80	408.05	4.58	-63.22
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[NH+](C2CC2)CC1	REAL300030106339	0	55	0.0	-73.56	416.19	5.13	-68.43
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[NH+]1CCCC1	REAL300030106368	0	51	0.0	-71.06	394.73	3.97	-67.09
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C12CC(C1)C[N@@H+]2C	REAL300030106426	0	49	0.0	-75.07	379.06	3.40	-71.67
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+]1CC2CCC1C2	REAL300030106442	0	52	0.0	-61.18	389.96	4.14	-57.04
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1CC[NH+](C(C)C)CC1	REAL300030106454	0	60	0.0	-61.37	442.78	5.70	-55.67
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C=C1C[NH+]2CCC1CC2	REAL300030106505	0	53	0.0	-62.94	402.13	4.59	-58.35
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1CC2C=CC1C2	REAL300030106517	0	50	0.0	-63.40	384.85	4.10	-59.30
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+]1CC2C=CC1C2	REAL300030106517	1	50	0.0	-65.30	385.14	4.09	-61.21
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+]1CC2C=CC1C2	REAL300030106517	1	50	0.0	-65.30	385.14	4.09	-61.21
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)C[NH+](C)C	REAL300030106582	0	50	0.0	-71.78	385.15	3.52	-68.26
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1CCCC[N@@H+]1C	REAL300030106684	0	54	0.0	-59.38	398.48	4.29	-55.09
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1CCCC[N@H+]1C	REAL300030106684	1	54	0.0	-59.38	398.48	4.29	-55.09
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC2=C(C)N=CN2C=C1	REAL300030106707	0	49	0.0	-71.18	398.09	6.23	-64.95
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC2=C(C)[NH+]=CN2C=C1	REAL300030106707	1	49	0.0	-71.18	398.09	6.23	-64.95
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)N1CC(C)C1	REAL300030106708	0	51	0.0	-61.88	394.65	3.88	-58.00
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)[NH+]1CC(C)C1	REAL300030106708	1	51	0.0	-61.88	394.65	3.88	-58.00
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1CCC1C	REAL300030106712	0	48	0.0	-67.68	378.13	3.36	-64.32
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+]1CCC1C	REAL300030106712	1	48	0.0	-63.08	371.54	3.00	-60.08
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+]1CCC1C	REAL300030106712	1	48	0.0	-63.08	371.54	3.00	-60.08
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC(O)C[NH+](C)C	REAL300030106717	0	51	0.0	-70.71	398.36	1.21	-69.50
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CN(C)CC(C)O1	REAL300030106755	0	52	0.0	-72.11	396.68	2.95	-69.16
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@H+](C)CC(C)O1	REAL300030106755	1	52	0.0	-77.82	396.84	3.22	-74.60
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[N@@H+](C)CC(C)O1	REAL300030106755	1	52	0.0	-77.82	396.84	3.22	-74.60
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[NH+]1CCC(O)CC1	REAL300030106767	0	55	0.0	-74.62	421.20	1.31	-73.31
CCC[N@@H+]1CCCCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC	REAL300030106770	0	57	0.0	-67.88	427.39	5.23	-62.65
CCC[N@H+]1CCCCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CC	REAL300030106770	1	57	0.0	-67.88	427.39	5.23	-62.65
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCN1CC[NH+](CC)CC1	REAL300030106775	0	59	0.0	-71.80	443.55	2.77	-69.03
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[NH+]1CCN(CC)CC1	REAL300030106775	1	59	0.0	-71.80	443.55	2.77	-69.03
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300030106778	0	58	0.0	-63.60	420.50	5.65	-57.95
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300030106778	1	58	0.0	-63.60	420.50	5.65	-57.95
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[NH+](CC(C)C)CC1	REAL300030106826	0	60	0.0	-71.48	446.76	5.92	-65.56
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1CCC([NH+](C)C)CC1	REAL300030106852	0	59	0.0	-66.78	438.59	2.85	-63.93
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300030106874	0	51	0.0	-67.07	395.84	3.96	-63.11
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)CC[NH+](C)C	REAL300030106882	0	53	0.0	-67.06	405.78	4.05	-63.01
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300030106916	0	55	0.0	-68.36	417.97	1.50	-66.86
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O	REAL300030106916	1	55	0.0	-60.91	416.25	1.58	-59.33
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1CC[NH+](C)CC1	REAL300030106931	1	53	0.0	-64.70	404.28	1.65	-63.05
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1CC[NH+](CC)CC1	REAL300030106940	0	56	0.0	-63.99	421.52	2.29	-61.70
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CSC(N)=[NH2+]	REAL300030106972	0	42	0.0	-67.67	353.66	-0.88	-68.55
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1COCC[N@@H+]1CC	REAL300030107020	0	55	0.0	-70.11	413.54	2.66	-67.45
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(CC[NH+](C)C)CCCC1	REAL300030107039	0	60	0.0	-84.35	447.03	5.75	-78.60
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[NH+]1C(C)CCCC1C	REAL300030107041	0	60	0.0	-68.58	436.70	5.34	-63.24
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC([NH+](C)C)CC1	REAL300030107044	0	57	0.0	-71.47	418.03	4.87	-66.60
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(CC[NH+](C)C)CC1	REAL300030107045	0	54	0.0	-77.77	422.00	4.72	-73.05
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300030107049	0	57	0.0	-71.12	418.10	4.91	-66.21
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1CC=CC[N@@H+]1C	REAL300030107050	0	52	0.0	-60.27	392.67	4.22	-56.05
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1CC=CC[N@H+]1C	REAL300030107050	1	52	0.0	-60.27	392.67	4.22	-56.05
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@@H](C)OCC[NH+](C)C	REAL300030107080	0	54	0.0	-68.87	421.51	3.96	-64.91
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC2CCC(C1)[NH+]2C	REAL300030107114	0	55	0.0	-70.52	405.54	4.43	-66.09
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)[NH+]1CCSCC1	REAL300030107267	1	52	0.0	-71.51	405.61	4.23	-67.28
CCC1C[NH+](CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2CC)C1	REAL300030107270	1	51	0.0	-70.81	399.40	4.07	-66.74
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1C[NH+](C2CCOCC2)C1	REAL300030107272	0	56	0.0	-72.39	429.22	3.17	-69.22
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1([NH+]2CCCC2)CCC1	REAL300030107274	0	55	0.0	-64.79	407.78	5.03	-59.76
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)[C@@H]1CCC[N@H+]1C	REAL300030107285	1	48	0.0	-60.98	371.04	3.17	-57.81
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[N@H+]1CCC(F)C1	REAL300030107295	1	51	0.0	-69.93	400.48	4.01	-65.92
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(C)CC(OC)C[N@H+]1C	REAL300030107304	1	55	0.0	-76.62	416.51	2.68	-73.94
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC[NH+]1CCCCCC1	REAL300030107317	0	57	0.0	-72.11	420.87	4.88	-67.23
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+]1CCCCC1	REAL300030107319	0	51	0.0	-64.21	387.50	4.06	-60.15
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@H+](C)C1C	REAL300030107329	0	51	0.0	-69.00	382.80	3.36	-65.64
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@@H+](C)C1C	REAL300030107329	1	51	0.0	-71.05	387.28	3.46	-67.59
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCC1CCCC[N@@H+]1C	REAL300030107332	0	57	0.0	-71.39	420.69	4.95	-66.44
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCC1CCCC[N@H+]1C	REAL300030107332	1	57	0.0	-75.71	420.69	4.95	-70.76
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@@H+]2CCOCC12	REAL300030107368	0	53	0.0	-75.72	405.04	2.51	-73.21
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@H+]2CCOCC12	REAL300030107368	1	53	0.0	-67.02	404.78	2.45	-64.57
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN2C(=C[NH+]=C2C)C=C1	REAL300030107376	0	49	0.0	-64.39	397.47	5.50	-58.89
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1COCCN1C	REAL300030107396	0	52	0.0	-62.00	389.86	1.90	-60.10
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1COCC[N@@H+]1C	REAL300030107396	1	52	0.0	-70.50	396.42	2.04	-68.46
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1COCC[N@H+]1C	REAL300030107396	1	52	0.0	-62.00	389.86	1.90	-60.10
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCC1=[NH+]C(C)=C(C)N1	REAL300030107407	1	52	0.0	-61.33	416.01	3.46	-57.87
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCN1CC1=CC=CC=C1	REAL300030107422	0	55	0.0	-64.81	426.64	5.88	-58.93
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300030107422	1	55	0.0	-68.18	437.09	6.23	-61.95
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC[N@H+]1CC1=CC=CC=C1	REAL300030107422	1	55	0.0	-64.81	426.64	5.88	-58.93
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@H+](CC(C)C)C1	REAL300030107426	0	60	0.0	-68.67	447.90	5.93	-62.74
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CCC[N@@H+](CC(C)C)C1	REAL300030107426	1	60	0.0	-65.36	441.69	6.15	-59.21
CC[C@@H]1CN(C(=O)C2CCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030107593	1	48	0.0	-57.43	372.04	3.05	-54.38
CC[C@@H]1CN(C(=O)C2CN(C)CCO2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030107619	0	49	0.0	-67.40	381.74	2.65	-64.75
CC[C@@H]1CN(C(=O)C2C[N@H+](C)CCO2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030107619	1	49	0.0	-59.66	373.99	2.47	-57.19
CC[C@@H]1CN(C(=O)C2C[N@@H+](C)CCO2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030107619	1	49	0.0	-67.40	381.74	2.65	-64.75
CC[C@@H]1CN(C(=O)CCCN2C=C[NH+]=C2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030107790	1	52	0.0	-63.44	420.65	5.32	-58.12
CC[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030107794	1	58	0.0	-67.34	446.99	3.90	-63.44
CC[C@@H]1CN(C(=O)C2=CC=C(C[NH+](C)C)C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030107800	0	54	0.0	-83.04	421.51	5.31	-77.73
CC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030107801	1	52	0.0	-67.49	404.60	2.41	-65.08
CCC[NH+](CCC)CCCC(=O)N1C[C@@H](CC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030107826	0	62	0.0	-65.73	472.24	6.63	-59.10
CC[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030107843	0	52	0.0	-58.16	385.67	3.65	-54.51
CC[C@@H]1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030107861	1	46	0.0	-67.82	384.51	5.79	-62.03
CC[C@@H]1CN(C(=O)C2CCCC([NH+](C)C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030107935	0	57	0.0	-72.92	417.14	4.72	-68.20
CC[C@@H]1CN(C(=O)CC2CC[N@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030107940	0	51	0.0	-67.89	396.11	4.01	-63.88
CC[C@@H]1CN(C(=O)CC2CC[N@@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030107940	1	51	0.0	-67.35	396.01	3.97	-63.38
CC[C@@H]1CN(C(=O)C2=C[NH+]=CC=C2N(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030107954	0	50	0.0	-70.09	398.33	2.32	-67.77
CCC(C(=O)N1C[C@@H](CC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030107960	0	50	0.0	-60.40	376.86	3.24	-57.16
CC[C@@H]1CN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030107969	1	49	0.0	-73.00	406.30	3.96	-69.04
CC[C@@H]1CN(C(=O)C2CCC3CC(C)C[N@@H+]3C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108019	0	58	0.0	-59.54	432.18	5.37	-54.17
CC[C@@H]1CN(C(=O)C2CCC3CC(C)C[N@H+]3C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108019	1	58	0.0	-57.03	426.54	5.50	-51.53
CC[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108052	0	53	0.0	-67.56	415.05	4.56	-63.00
CC[C@@H]1CN(C(=O)C(C(C)C)[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108076	0	53	0.0	-60.25	393.03	4.14	-56.11
CCC[N@H+](C)CCC(=O)N1C[C@@H](CC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030108078	0	53	0.0	-62.76	410.31	4.28	-58.48
CCC[N@@H+](C)CCC(=O)N1C[C@@H](CC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030108078	1	53	0.0	-63.10	410.31	4.26	-58.84
CCC[N@H+](C)CC(=O)N1C[C@@H](CC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030108084	0	50	0.0	-60.36	387.94	3.69	-56.67
CCC[N@@H+](C)CC(=O)N1C[C@@H](CC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030108084	1	50	0.0	-60.19	387.95	3.67	-56.52
CC[C@@H]1CN(C(=O)C23CC[N@H+](C2)CCC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108114	0	52	0.0	-67.51	381.48	3.21	-64.30
CC[C@@H]1CN(C(=O)C23CC[N@@H+](C2)CCC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108114	1	52	0.0	-62.02	381.72	3.12	-58.90
CCCCCC[N@H+](C)CC(=O)N1C[C@@H](CC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030108163	0	59	0.0	-61.40	452.43	6.03	-55.37
CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](CC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030108163	1	59	0.0	-61.16	452.44	6.01	-55.15
CC[C@@H]1CN(C(=O)C(C(C)C)[NH+](CC)CC)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108172	0	59	0.0	-61.13	423.56	4.89	-56.24
CC[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108214	0	54	0.0	-59.85	411.30	4.76	-55.09
CC[C@@H]1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108245	1	49	0.0	-73.83	402.86	3.41	-70.42
CC[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108254	0	55	0.0	-71.64	429.26	4.54	-67.10
CC[C@@H]1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108324	0	55	0.0	-60.90	413.99	4.86	-56.04
CC[C@@H]1CN(C(=O)C2CC3CCCC[N@H+]3C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108324	1	55	0.0	-62.26	412.80	4.91	-57.35
CC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108338	0	51	0.0	-66.68	397.15	3.87	-62.81
CC[C@@H]1CN(C(=O)C2CCC3=C[NH+]=C(C)N3C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108339	1	53	0.0	-59.79	417.33	4.91	-54.88
CC[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108351	0	57	0.0	-65.99	423.93	4.85	-61.14
CC[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108390	0	50	0.0	-65.35	389.79	3.65	-61.70
CC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108390	1	50	0.0	-62.24	388.81	3.52	-58.72
CC[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108423	0	57	0.0	-60.61	410.22	4.61	-56.00
CC[C@@H]1CN(C(=O)C2C[NH+]3CCC2CC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108442	0	52	0.0	-70.76	386.91	3.83	-66.93
CC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108537	0	51	0.0	-68.93	392.61	3.87	-65.06
CC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108560	0	53	0.0	-64.15	392.46	3.91	-60.24
CC[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108654	0	58	0.0	-68.85	439.81	5.84	-63.01
CC[C@@H]1CN(C(=O)C(F)C[NH+](CC)CC)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108701	0	53	0.0	-67.77	404.99	3.95	-63.82
CC[C@@H]1CN(C(=O)C2=C(C[NH+](C)C)C=CS2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108702	0	51	0.0	-60.42	409.43	4.66	-55.76
CC[C@@H]1CN(C(=O)C2CC[N@H+](CC(C)C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108748	0	57	0.0	-63.02	431.20	5.11	-57.91
CC[C@@H]1CN(C(=O)C2CC[N@@H+](CC(C)C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108748	1	57	0.0	-64.50	429.54	5.20	-59.30
CC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108752	0	51	0.0	-67.05	375.91	3.32	-63.73
CCC(C(=O)N1C[C@@H](CC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030108789	0	56	0.0	-58.84	410.46	4.81	-54.03
CC[C@@H]1CN(C(=O)C[N@@H+]2CCCC2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108820	0	51	0.0	-60.27	387.73	3.73	-56.54
CC[C@@H]1CN(C(=O)C[N@H+]2CCCC2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108820	1	51	0.0	-56.94	387.32	3.62	-53.32
CC[C@@H]1CN(C(=O)CCN2C=C[NH+]=C2C(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108908	1	55	0.0	-57.22	434.24	5.50	-51.72
CC[C@@H]1CN(C(=O)C(C)[NH+]2CCCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108915	0	57	0.0	-60.13	417.29	4.68	-55.45
CC[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108917	0	57	0.0	-58.31	419.28	4.73	-53.58
CC[C@@H]1CN(C(=O)C2CCCC[N@H+]2C(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108917	1	57	0.0	-56.68	420.68	4.81	-51.87
CC[C@@H]1CN(C(=O)C2CCC[N@@H+]2C(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108951	0	54	0.0	-57.90	399.89	4.79	-53.11
CC[C@@H]1CN(C(=O)C2CCC[N@H+]2C(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108951	1	54	0.0	-56.11	406.81	4.21	-51.90
CC[C@@H]1CN(C(=O)C(CN2C=CC=N2)[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108957	1	54	0.0	-58.96	420.52	3.51	-55.45
CC[C@@H]1CN(C(=O)CC2CCC[N@@H+]2C(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108962	0	57	0.0	-60.19	427.88	4.98	-55.21
CC[C@@H]1CN(C(=O)CC2CCC[N@H+]2C(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108962	1	57	0.0	-59.04	418.52	4.93	-54.11
CC[C@@H]1CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108963	0	58	0.0	-55.77	423.08	5.86	-49.91
CC[C@@H]1CN(C(=O)C2CCC[N@H+]2C2CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108963	1	58	0.0	-61.62	424.36	5.82	-55.80
CC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108984	0	53	0.0	-54.25	392.22	3.75	-50.50
CC[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109018	0	51	0.0	-59.60	394.84	4.00	-55.60
CC[C@@H]1CN(C(=O)C[N@H+]2CCC(C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109018	1	51	0.0	-58.77	394.11	3.95	-54.82
CC[C@@H]1CN(C(=O)C2(F)CC[N@@H+](C(C)(C)C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109019	0	57	0.0	-63.23	426.53	4.43	-58.80
CC[C@@H]1CN(C(=O)C2(F)CC[N@H+](C(C)(C)C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109019	1	57	0.0	-63.30	426.56	4.48	-58.82
CC[C@@H]1CN(C(=O)C2CCN3C(=C[NH+]=C3C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109021	1	53	0.0	-61.91	413.44	4.79	-57.12
CC[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109024	0	54	0.0	-59.98	413.74	4.57	-55.41
CC[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109024	1	54	0.0	-59.24	414.07	4.51	-54.73
CC[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109025	0	56	0.0	-59.04	418.49	4.83	-54.21
CC[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109025	1	56	0.0	-62.45	417.47	4.78	-57.67
CC[C@@H](C(=O)N1C[C@@H](CC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030109036	0	50	0.0	-57.37	376.45	3.18	-54.19
CC[C@@H]1CN(C(=O)COCC(C)[NH+]2CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109044	0	58	0.0	-62.15	448.28	5.18	-56.97
CC[C@@H]1CN(C(=O)CCN(C)C2=CC=[NH+]C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109206	0	53	0.0	-64.55	424.06	4.08	-60.47
CC[C@@H]1CN(C(=O)CN2C=C[NH+]=C2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109332	1	46	0.0	-61.16	379.06	3.98	-57.18
CC[C@@H]1CN(C(=O)C(C)C[NH+]2CCOCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109334	0	55	0.0	-68.30	421.12	2.97	-65.33
CC[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109356	0	57	0.0	-65.42	435.19	5.67	-59.75
CC[C@@H]1CN(C(=O)C2=NOC(C[NH+](C)C)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109377	1	50	0.0	-74.87	405.85	3.57	-71.30
CC[C@@H]1CN(C(=O)C2=C(C)N3C=[NH+]C=C3C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109379	0	49	0.0	-61.98	401.31	6.17	-55.81
CC[C@@H]1CN(C(=O)CN2C=C[NH+]=C2C(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109428	1	52	0.0	-57.34	414.48	4.99	-52.35
CC[C@@H]1CN(C(=O)C2CCCC3CCC[N@@H+]32)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109483	0	55	0.0	-58.31	401.26	4.47	-53.84
CC[C@@H]1CN(C(=O)C2CCCC3CCC[N@H+]32)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109483	1	55	0.0	-54.68	408.82	4.86	-49.82
CC[C@@H]1CN(C(=O)C2C[N@H+](CC)CCO2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109520	1	52	0.0	-58.82	391.76	3.10	-55.72
CC[C@@H]1CN(C(=O)C2C[N@@H+](CC)CCO2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109520	1	52	0.0	-83.67	399.53	3.22	-80.45
CC[C@@H]1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109598	0	46	0.0	-70.64	383.89	5.72	-64.92
CC[C@@H]1CN(C(=O)CN2C=[NH+]C=C2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109603	1	46	0.0	-59.04	378.47	4.61	-54.43
CC[C@@H]1CN(C(=O)C2=CN(CC[NH+](C)C)N=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109608	0	54	0.0	-74.42	427.38	3.38	-71.04
CC[C@@H]1CN(C(=O)C2=NN(CC[NH+](C)C)C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109623	0	54	0.0	-74.25	431.30	4.03	-70.22
CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109630	0	51	0.0	-62.61	385.21	3.60	-59.01
CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109630	1	51	0.0	-61.95	390.09	3.91	-58.04
CCC1=[NH+]C=CN1C(C)CC(=O)N1C[C@@H](CC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030109633	1	55	0.0	-57.38	434.65	5.52	-51.86
CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109636	0	54	0.0	-60.62	401.45	3.80	-56.82
CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109636	1	54	0.0	-63.33	407.36	4.27	-59.06
CC[C@@H]1CN(C(=O)C[NH+]2C(C)CCC2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109657	0	54	0.0	-56.88	406.73	4.31	-52.57
CC[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109664	0	54	0.0	-65.43	419.52	4.96	-60.47
CC[C@@H]1CN(C(=O)C2=CC=CC(C[NH+](C)C)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109665	0	54	0.0	-72.69	421.65	5.30	-67.39
C#CC[NH+]1CCC(C(=O)N2C[C@@H](CC)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030109673	0	53	0.0	-67.24	414.05	4.85	-62.39
CC[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109674	0	54	0.0	-64.57	413.69	4.85	-59.72
CC[C@@H]1CN(C(=O)C2=CC=CC=C2C[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109679	0	54	0.0	-50.71	420.75	5.44	-45.27
CC[C@@H]1CN(C(=O)C2CCCC[N@@H+]2CC)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109688	0	54	0.0	-58.42	406.85	4.43	-53.99
CC[C@@H]1CN(C(=O)C2CCCC[N@H+]2CC)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109688	1	54	0.0	-62.08	399.22	4.27	-57.81
CC[C@@H]1CN(C(=O)C(C(C)C)[NH+]2CCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109689	0	60	0.0	-60.15	434.12	6.02	-54.13
CC[C@@H]1CN(C(=O)C(C2=CC=CC=C2)[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109692	1	54	0.0	-63.65	417.15	5.56	-58.09
CC[C@@H]1CN(C(=O)CN2C=[NH+]C3=C2CCCC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109700	1	53	0.0	-57.48	420.31	6.32	-51.16
CC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109745	0	60	0.0	-72.73	421.09	5.79	-66.94
CC[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109751	0	60	0.0	-63.18	447.12	5.89	-57.29
CC[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109751	1	60	0.0	-62.03	447.13	5.90	-56.13
CC[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109754	0	57	0.0	-63.93	412.61	4.79	-59.14
CC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109991	0	51	0.0	-57.80	394.85	4.26	-53.54
CC[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109991	1	51	0.0	-59.02	394.81	4.26	-54.76
CC[C@@H]1CN(C(=O)C(C)[NH+]2C(C)CCC2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110024	0	57	0.0	-58.48	405.91	4.15	-54.33
CC[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110043	0	57	0.0	-66.12	440.66	5.73	-60.39
CC[C@@H]1CN(C(=O)C[N@H+](C)CC2=CC=CC=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110046	1	54	0.0	-66.57	425.71	5.98	-60.59
CC[C@@H]1CN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110046	1	54	0.0	-64.06	425.34	5.89	-58.17
CC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110063	0	51	0.0	-68.93	392.61	3.87	-65.06
CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110134	0	48	0.0	-59.93	369.40	3.14	-56.79
CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110134	1	48	0.0	-63.78	368.28	2.84	-60.94
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030110159	1	50	0.0	-58.51	394.29	4.08	-54.43
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030110159	1	50	0.0	-60.26	397.01	4.48	-55.78
CC[C@@H]1CN(C(=O)CCC2CCC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110169	0	54	0.0	-62.27	410.65	4.38	-57.89
CC[C@@H]1CN(C(=O)CCC2CCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110169	1	54	0.0	-63.59	416.42	4.86	-58.73
CC[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110182	0	55	0.0	-66.49	395.60	4.03	-62.46
CC[C@@H]1CN(C(=O)C2CCC3CCCC[N@@H+]32)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110190	0	55	0.0	-58.37	413.23	5.14	-53.23
CC[C@@H]1CN(C(=O)C2CCC3CCCC[N@H+]32)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110190	1	55	0.0	-60.04	408.49	4.81	-55.23
CCC[N@@H+]1CCCC(C(=O)N2C[C@@H](CC)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030110287	0	57	0.0	-58.32	421.85	5.18	-53.14
CCC[N@H+]1CCCC(C(=O)N2C[C@@H](CC)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030110287	1	57	0.0	-73.67	431.74	5.25	-68.42
CC[C@@H]1CN(C(=O)C2C[N@@H+](C(C)C)CCO2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110310	1	55	0.0	-80.63	415.94	3.75	-76.88
CC[C@@H]1CN(C(=O)C2C[N@H+](C(C)C)CCO2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110310	1	55	0.0	-57.18	408.53	3.56	-53.62
CC[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110329	0	58	0.0	-60.42	422.30	3.06	-57.36
CC[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110349	0	51	0.0	-61.78	388.05	3.80	-57.98
CC[C@@H]1CN(C(=O)C2CCCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110349	1	51	0.0	-58.83	390.12	3.92	-54.91
CC[C@@H]1CN(C(=O)C2CCC[N@@H+]2CC(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110381	0	57	0.0	-58.73	426.60	4.94	-53.79
CC[C@@H]1CN(C(=O)C2CCC[N@H+]2CC(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110381	1	57	0.0	-61.72	426.59	4.96	-56.76
CC[C@@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110402	0	55	0.0	-61.59	422.81	1.46	-60.13
CC[C@@H]1CN(C(=O)C=C2CC3CCC(C2)[NH+]3C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110440	0	56	0.0	-65.69	421.29	5.26	-60.43
CC[C@@H]1CN(C(=O)C2CC[N@H+](C)C2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110461	0	51	0.0	-66.09	390.58	3.90	-62.19
CC[C@@H]1CN(C(=O)C2CC[N@@H+](C)C2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110461	1	51	0.0	-64.98	384.55	3.53	-61.45
CC[C@@H]1CN(C(=O)CCC2CCCC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110465	0	57	0.0	-59.97	422.62	5.03	-54.94
CC[C@@H]1CN(C(=O)CCC2CCCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110465	1	57	0.0	-66.41	422.50	5.08	-61.33
CC[C@@H]1CN(C(=O)C2=CC3=C(CCC3)[NH+]=C2N)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110506	1	51	0.0	-56.55	402.18	3.12	-53.43
CC[C@@H]1CN(C(=O)C2CC[N@@H+]2C(C)(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110591	0	54	0.0	-59.49	390.53	3.18	-56.31
CC[C@@H]1CN(C(=O)C2CC[N@H+]2C(C)(C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110591	1	54	0.0	-58.99	388.20	3.41	-55.58
CC[C@@H]1CN(C(=O)C2CCN(C3=CC=[NH+]C=C3)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110611	0	54	0.0	-62.16	421.55	2.71	-59.45
CC[C@@H]1CN(C(=O)[C@H](C)[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110616	0	47	0.0	-60.79	366.39	2.69	-58.10
CC[C@@H]1CN(C(=O)C2=CC=NC(C[NH+](C)C)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110637	1	53	0.0	-62.09	417.75	3.54	-58.55
C=CCC(C)(C(=O)N1C[C@@H](CC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030110643	0	54	0.0	-64.39	391.27	4.31	-60.08
CC[C@@H]1CN(C(=O)CSCC[NH+](CC)CC)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110676	0	57	0.0	-67.80	451.93	5.71	-62.09
CC[C@@H]1CN(C(=O)C2=C(N)C3=CC=CC=C3[NH+]=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110677	1	50	0.0	-59.23	399.59	2.45	-56.78
CC[C@@H]1CN(C(=O)CC[NH+]2CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110682	0	51	0.0	-64.72	396.99	4.08	-60.64
CC[C@@H]1CN(C(=O)C[N@H+](C)CCO)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110692	1	48	0.0	-59.99	376.80	-0.30	-60.29
CC[C@@H]1CN(C(=O)C[N@@H+](C)CCO)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110692	1	48	0.0	-61.01	376.57	-0.30	-61.31
CC[C@@H]1CN(C(=O)C2C[N@@H+]3CCN2CCC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110737	0	54	0.0	-71.99	395.58	1.60	-70.39
CC[C@@H]1CN(C(=O)C2C[N@H+]3CCN2CCC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110737	1	54	0.0	-59.40	394.77	1.51	-57.89
CC[C@@H]1CN(C(=O)C(C)[NH+]2CCSCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110769	1	52	0.0	-60.37	401.32	4.00	-56.37
CC[C@@H]1CN(C(=O)CC2=CC[N@H+](C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110821	0	52	0.0	-65.78	408.76	4.71	-61.07
CC[C@@H]1CN(C(=O)CC2=CC[N@@H+](C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110821	1	52	0.0	-64.53	408.77	4.72	-59.81
CC[C@@H]1CN(C(=O)C(O)CC[S+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110839	0	50	0.0	-71.37	410.07	1.84	-69.53
CC[C@@H]1CN(C(=O)C2(C)CC(O)C[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110865	0	52	0.0	-63.91	388.19	-0.29	-64.20
CC[C@@H]1CN(C(=O)C2(C)CC(O)C[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110865	1	52	0.0	-61.76	390.52	-0.05	-61.81
CC[C@@H]1CN(C(=O)C2CN(C)CC[N@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110881	0	56	0.0	-66.38	420.00	2.25	-64.13
CC[C@@H]1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110881	1	56	0.0	-70.70	418.48	1.71	-68.99
CC[C@@H]1CN(C(=O)C(C)[N@@H+]2CCCC(O)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110882	0	55	0.0	-59.06	417.63	1.10	-57.96
CC[C@@H]1CN(C(=O)C(C)[N@H+]2CCCC(O)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110882	1	55	0.0	-55.88	416.22	1.34	-54.54
CC[C@@H]1CN(C(=O)C2=C(N)[NH+]=CC3=C2CCC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110918	0	51	0.0	-58.93	409.60	3.19	-55.74
CC[C@@H]1CN(C(=O)CC2(O)CCC[N@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110925	0	55	0.0	-64.90	407.52	2.68	-62.22
CC[C@@H]1CN(C(=O)CC2(O)CCC[N@@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110925	1	55	0.0	-62.63	409.20	2.52	-60.11
CC[C@@H]1CN(C(=O)C[NH+]2CC(C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110932	1	48	0.0	-63.09	380.27	3.48	-59.61
CC[C@@H]1CN(C(=O)C2CCC[N@H+](CC)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110940	0	54	0.0	-67.36	400.98	4.34	-63.02
CC[C@@H]1CN(C(=O)C2CCC[N@@H+](CC)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110940	1	54	0.0	-58.06	400.38	4.43	-53.63
CC[C@@H]1CN(C(=O)CC2=CC=C[NH+]=C2N)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110952	0	47	0.0	-61.14	382.92	2.10	-59.04
CC[C@@H]1CN(C(=O)C2CCC[N@@H+]2C2CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110968	0	52	0.0	-56.67	402.04	4.60	-52.07
CC[C@@H]1CN(C(=O)C2CCC[N@H+]2C2CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110968	1	52	0.0	-62.06	398.22	4.17	-57.89
CC[C@@H]1CN(C(=O)C=CC[NH+]2CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111025	0	52	0.0	-66.42	409.84	4.71	-61.71
CC[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111054	0	55	0.0	-65.43	413.61	4.90	-60.53
CC[C@@H]1CN(C(=O)C[N@H+](C)CC)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111110	0	47	0.0	-62.54	367.36	3.04	-59.50
CC[C@@H]1CN(C(=O)CN2CC3C=CC2C3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111184	0	50	0.0	-60.94	388.45	4.36	-56.58
CC[C@@H]1CN(C(=O)C[N@@H+]2CC3C=CC2C3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111184	1	50	0.0	-56.43	387.88	4.14	-52.29
CC[C@@H]1CN(C(=O)C[N@H+]2CC3C=CC2C3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111184	1	50	0.0	-56.43	387.88	4.14	-52.29
CC[C@@H]1CN(C(=O)CCNC2=CC=C(C)C=N2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111209	0	53	0.0	-59.05	427.56	3.70	-55.35
CC[C@@H]1CN(C(=O)CCNC2=CC=C(C)C=[NH+]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111209	1	53	0.0	-59.05	427.56	3.70	-55.35
CC[C@@H]1CN(C(=O)C23CCC[N@@H+]2CCCC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111345	0	55	0.0	-57.51	396.70	4.19	-53.32
CC[C@@H]1CN(C(=O)C23CCC[N@H+]2CCCC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111345	1	55	0.0	-57.51	396.70	4.19	-53.32
CC[C@@H]1CN(C(=O)C23CCC[N@@H+]2CC=CC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111357	0	53	0.0	-57.97	389.39	3.95	-54.02
CC[C@@H]1CN(C(=O)C23CCC[N@H+]2CC=CC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111357	1	53	0.0	-57.97	389.39	3.95	-54.02
CC[C@@H]1CN(C(=O)C(C)OCC[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111370	0	54	0.0	-64.61	419.23	3.79	-60.82
CC[C@@H]1CN(C(=O)CCOCC[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111382	0	54	0.0	-64.24	426.55	3.20	-61.04
CC[C@@H]1CN(C(=O)CN(C)CCOC)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111384	0	51	0.0	-59.89	399.05	2.10	-57.79
CC[C@@H]1CN(C(=O)C[N@H+](C)CCOC)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111384	1	51	0.0	-61.44	398.82	2.10	-59.34
CC[C@@H]1CN(C(=O)C[N@@H+](C)CCOC)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111384	1	51	0.0	-61.44	398.82	2.10	-59.34
CC[C@@H]1CN(C(=O)CCC(C)[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111391	0	53	0.0	-65.23	403.35	4.14	-61.09
CC[C@@H]1CN(C(=O)C[N@H+](CC)C2CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111430	0	51	0.0	-58.11	398.21	4.35	-53.76
CC[C@@H]1CN(C(=O)C2C[N@@H+]3CCN2C(C)C3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111450	0	54	0.0	-64.04	390.55	3.05	-60.99
CC[C@@H]1CN(C(=O)C23CC(C2)C[N@@H+]3C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111488	0	49	0.0	-71.60	371.80	3.58	-68.02
CC[C@@H]1CN(C(=O)C=CC2=CC=C(N)N=C2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111499	0	51	0.0	-62.88	412.33	2.98	-59.90
CC[C@@H]1CN(C(=O)C=CC2=CC=C(N)[NH+]=C2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111499	1	51	0.0	-62.88	412.33	2.98	-59.90
CC[C@@H]1CN(C(=O)C[N@@H+]2CC3CCC2C3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111508	0	52	0.0	-57.91	395.18	4.39	-53.52
CC[C@@H]1CN(C(=O)C[N@H+]2CC3CCC2C3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111508	1	52	0.0	-57.91	395.18	4.39	-53.52
CC[C@@H]1CN(C(=O)CC2CC[NH+](C(C)C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111524	0	60	0.0	-61.51	447.15	5.96	-55.55
CC[C@@H]1CN(C(=O)C(C)C[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111540	0	50	0.0	-64.83	387.14	3.49	-61.34
CC[C@@H]1CN(C(=O)C2CCN2CC)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111604	0	48	0.0	-62.22	380.64	3.38	-58.84
CC[C@@H]1CN(C(=O)C2CC[N@@H+]2CC)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111604	1	48	0.0	-62.14	370.99	2.87	-59.27
CC[C@@H]1CN(C(=O)C2CC[N@H+]2CC)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111604	1	48	0.0	-62.14	370.99	2.87	-59.27
CC[C@@H]1CN(C(=O)C2CCC[N@@H+](C(C)C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111620	0	57	0.0	-65.26	417.64	4.86	-60.40
CC[C@@H]1CN(C(=O)C2CCC[N@H+](C(C)C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111620	1	57	0.0	-65.26	417.64	4.86	-60.40
CC[C@@H]1CN(C(=O)C(C)[NH2+]C(C)(C)CC)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111645	0	56	0.0	-60.06	414.11	2.81	-57.25
C#CCN1CCCCC1C(=O)N1C[C@@H](CC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030111700	0	53	0.0	-59.16	406.84	4.83	-54.33
C#CC[N@H+]1CCCCC1C(=O)N1C[C@@H](CC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030111700	1	53	0.0	-60.27	406.31	4.73	-55.54
C#CC[N@@H+]1CCCCC1C(=O)N1C[C@@H](CC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030111700	1	53	0.0	-60.27	406.31	4.73	-55.54
CC[C@@H]1CN(C(=O)C2=CC=C(C)N=C2NC)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111704	0	50	0.0	-56.94	397.99	2.95	-53.99
CC[C@@H]1CN(C(=O)C2=CC=C(C)[NH+]=C2NC)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111704	1	50	0.0	-56.94	397.99	2.95	-53.99
CCCC(C(=O)N1C[C@@H](CC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030111717	0	53	0.0	-60.17	398.46	4.04	-56.13
CC[C@@H]1CN(C(=O)C(C)(C)[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111725	0	50	0.0	-64.68	366.83	3.32	-61.36
CC[C@@H]1CN(C(=O)C(C)CC[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111751	0	53	0.0	-69.24	409.87	4.14	-65.10
CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111819	0	58	0.0	-59.01	419.05	5.42	-53.59
CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111819	1	58	0.0	-59.01	419.05	5.42	-53.59
CC[C@@H]1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111859	0	53	0.0	-57.19	403.73	4.85	-52.34
CC[C@@H]1CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111859	1	53	0.0	-61.38	402.11	5.76	-55.62
CC[C@@H]1CN(C(=O)CC[N@H+](C)CCCCOC)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111910	0	60	0.0	-66.57	465.48	4.12	-62.45
CC[C@@H]1CN(C(=O)CC[N@@H+](C)CCCCOC)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111910	1	60	0.0	-66.26	465.48	4.11	-62.15
CC[C@@H]1CN(C(=O)C2CC(C)(C)C[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111922	0	54	0.0	-60.77	409.82	4.20	-56.57
CC[C@@H]1CN(C(=O)C2CC(C)(C)C[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111922	1	54	0.0	-63.63	408.13	3.92	-59.71
CC[C@@H]1CN(C(=O)CCCCC[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111928	0	56	0.0	-66.33	435.58	5.23	-61.10
CC[C@@H]1CN(C(=O)CC[NH+]2CCC(O)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111933	0	55	0.0	-65.70	423.34	1.36	-64.34
CCC[N@@H+]1CCCCC1C(=O)N1C[C@@H](CC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030111939	0	57	0.0	-60.42	420.30	4.94	-55.48
CCC[N@H+]1CCCCC1C(=O)N1C[C@@H](CC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030111939	1	57	0.0	-58.56	420.65	5.02	-53.54
CC[C@@H]1CN(C(=O)CCN2CC[NH+](CC)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111949	0	59	0.0	-66.98	448.38	3.06	-63.92
CC[C@@H]1CN(C(=O)CC[NH+]2CCN(CC)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111949	1	59	0.0	-65.61	447.94	3.07	-62.54
CC[C@@H]1CN(C(=O)CN2CC[NH+](C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111953	1	53	0.0	-65.30	408.80	1.88	-63.42
CC[C@@H]1CN(C(=O)C2CC[NH+](CC(C)C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112092	0	60	0.0	-67.06	445.56	5.81	-61.25
CC[C@@H]1CN(C(=O)C2C[N@H+](C)CC(C)O2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112095	1	52	0.0	-87.17	395.73	2.92	-84.25
CC[C@@H]1CN(C(=O)C2C[N@@H+](C)CC(C)O2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112095	1	52	0.0	-71.63	395.80	3.15	-68.48
CC[C@@H]1CN(C(=O)C[N@@H+]2CCCC(CC)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112134	0	57	0.0	-61.56	422.17	4.94	-56.62
CC[C@@H]1CN(C(=O)C[N@H+]2CCCC(CC)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112134	1	57	0.0	-59.59	429.64	5.38	-54.21
CC[C@@H]1CN(C(=O)C2=CC=C(C[NH+](C)C)N2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112145	0	52	0.0	-66.38	410.75	3.63	-62.75
CC[C@@H]1CN(C(=O)C[NH+]2CC3CC3C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112170	0	49	0.0	-62.60	385.11	4.27	-58.33
CC[C@@H]1CN(C(=O)CC2([NH+]3CCCC3)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112190	0	55	0.0	-59.13	413.87	5.08	-54.05
CC[C@@H]1CN(C(=O)C(C)[NH2+]C2(CO)CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112210	0	58	0.0	-63.49	434.71	0.45	-63.04
CC[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112245	0	51	0.0	-61.78	388.05	3.80	-57.98
CC[C@@H]1CN(C(=O)C2CCCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112245	1	51	0.0	-58.83	390.12	3.92	-54.91
CC[C@@H]1CN(C(=O)C2CC[N@@H+]2CC2=CC=CC=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112253	1	55	0.0	-62.57	439.53	6.23	-56.34
CC[C@@H]1CN(C(=O)C2CC[N@H+]2CC2=CC=CC=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112253	1	55	0.0	-62.15	439.75	6.23	-55.92
CC[C@@H]1CN(C(=O)C2CCC[N@H+](CC(C)C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112260	0	60	0.0	-67.44	439.47	5.80	-61.64
CC[C@@H]1CN(C(=O)C2CCC[N@@H+](CC(C)C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112260	1	60	0.0	-64.38	439.37	5.95	-58.43
CC[C@@H]1CN(C(=O)CN2CCC([NH+](C)C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112330	0	59	0.0	-66.53	443.53	3.10	-63.43
CC[C@@H]1CN(C(=O)C=C2CC[N@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112410	0	49	0.0	-69.19	386.18	3.92	-65.27
CC[C@@H]1CN(C(=O)C=C2CC[N@@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112410	1	49	0.0	-66.14	386.60	3.81	-62.33
CC[C@@H]1CN(C(=O)CNC2=CC=[NH+]C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112417	0	47	0.0	-64.08	384.73	1.65	-62.43
CC[C@@H]1CN(C(=O)CN2CC[NH+](CC)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112489	0	56	0.0	-64.14	426.53	2.56	-61.58
CC[C@@H]1CN(C(=O)C=C2C[NH+]3CCC2CC3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112492	0	53	0.0	-62.53	403.76	4.71	-57.82
CC[C@@H]1CN(C(=O)C2([NH+](C)C)CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112546	0	54	0.0	-55.16	388.00	4.09	-51.07
CC[C@@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112563	0	55	0.0	-61.47	419.64	1.77	-59.70
CC[C@@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112563	1	55	0.0	-58.30	419.66	1.48	-56.82
CCC1C[NH+](CC(=O)N2C[C@@H](CC)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030112571	0	51	0.0	-61.46	401.40	4.18	-57.28
CC[C@@H]1CN(C(=O)C2C[NH+](C3CCOCC3)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112575	0	56	0.0	-65.23	431.91	3.35	-61.88
CC[C@@H]1CN(C(=O)C2([NH+]3CCCC3)CCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112577	0	55	0.0	-61.45	402.86	4.52	-56.93
CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112594	0	48	0.0	-59.61	368.46	2.87	-56.74
CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112594	1	48	0.0	-60.45	371.12	3.24	-57.21
CC[C@@H]1CN(C(=O)CC2COCC[N@@H+]2CC)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112636	0	55	0.0	-61.21	412.75	2.62	-58.59
CC[C@@H]1CN(C(=O)C2C[NH+](C3CCCCC3)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112664	0	58	0.0	-64.23	441.11	5.70	-58.53
CC[C@@H]1CN(C(=O)C23CCC[N@@H+]2CC(OC)C3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112685	0	56	0.0	-61.78	423.18	2.71	-59.07
CC[C@@H]1CN(C(=O)C23CCC[N@H+]2CC(OC)C3)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112685	1	56	0.0	-61.78	423.18	2.71	-59.07
CC[C@@H]1CN(C(=O)C2=CC=C3NC(N)=NC3=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112761	0	48	0.0	-63.40	387.89	3.14	-60.26
CC[C@@H]1CN(C(=O)C2=CC=C3NC(N)=[NH+]C3=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112761	1	48	0.0	-63.40	387.89	3.14	-60.26
CC[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112814	0	51	0.0	-66.96	398.10	4.01	-62.95
CC[C@@H]1CN(C(=O)C2(CC[NH+](C)C)CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112827	0	60	0.0	-73.38	441.69	5.39	-67.99
CC[C@@H]1CN(C(=O)CC[NH+]2C(C)CCCC2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112829	0	60	0.0	-60.97	443.35	5.53	-55.44
CC[C@@H]1CN(C(=O)C2CCC([NH+](C)C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112832	0	57	0.0	-78.67	428.30	5.02	-73.65
CC[C@@H]1CN(C(=O)C2(CC[NH+](C)C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112833	0	54	0.0	-70.53	422.16	4.76	-65.77
CC[C@@H]1CN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112838	0	57	0.0	-62.84	417.29	4.77	-58.07
CC[C@@H]1CN(C(=O)CC2CC=CC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112839	0	52	0.0	-58.56	394.85	4.29	-54.27
CC[C@@H]1CN(C(=O)CC2CC=CC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112839	1	52	0.0	-56.85	395.26	4.39	-52.46
CC[C@@H]1CN(C(=O)C=CC2=C[NH+]=C(N)C(C)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112908	1	51	0.0	-63.09	412.91	3.24	-59.85
CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112924	0	51	0.0	-66.33	405.20	3.50	-62.83
CCCCC[N@H+](C)CCC(=O)N1C[C@@H](CC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030112931	0	59	0.0	-63.56	453.31	5.82	-57.74
CCCCC[N@@H+](C)CCC(=O)N1C[C@@H](CC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030112931	1	59	0.0	-63.93	453.31	5.82	-58.11
CC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112945	0	55	0.0	-66.45	424.35	4.24	-62.21
CC[C@@H]1CN(C(=O)CN2C=CSC2=[NH2+])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112979	0	44	0.0	-60.84	376.09	2.56	-58.28
CC[C@@H]1CN(C(=O)[C@@H](C)OCC[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113078	0	54	0.0	-66.75	420.43	3.88	-62.87
CC[C@@H]1CN(C(=O)CC[NH+]2CCCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113151	0	57	0.0	-65.65	423.69	5.05	-60.60
CC[C@@H]1CN(C(=O)C2CCC[N@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113157	0	51	0.0	-58.87	382.77	3.79	-55.08
CC[C@@H]1CN(C(=O)C2CCC[N@@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113157	1	51	0.0	-58.87	382.77	3.79	-55.08
CC[C@@H]1CN(C(=O)C[NH+]2CCCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113165	0	54	0.0	-62.52	400.71	4.43	-58.09
CC[C@@H]1CN(C(=O)C[N+]2=CN(C)C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113172	0	46	0.0	-61.01	380.01	5.83	-55.18
CC[C@@H]1CN(C(=O)C(C)(C)C2CCC[N@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113191	0	60	0.0	-67.73	428.36	4.96	-62.77
CC[C@@H]1CN(C(=O)C(C)(C)C2CCC[N@@H+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113191	1	60	0.0	-67.73	428.36	4.96	-62.77
CC[C@@H]1CN(C(=O)C2=CC=C(CN(C)C)O2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113197	0	51	0.0	-70.13	409.51	4.09	-66.04
CC[C@@H]1CN(C(=O)C2=CC=C(C[NH+](C)C)O2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113197	1	51	0.0	-70.13	409.51	4.09	-66.04
CC[C@@H]1CN(C(=O)CN2CCC(O)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113225	0	52	0.0	-63.37	401.59	0.83	-62.54
CC[C@@H]1CN(C(=O)C[NH+]2CCC(O)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113225	1	52	0.0	-63.37	401.59	0.83	-62.54
CC[C@@H]1CN(C(=O)C[N@H+](C)C2CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113232	0	48	0.0	-58.93	378.06	3.74	-55.19
CC[C@@H]1CN(C(=O)C(C)N2CCN(C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113234	0	56	0.0	-64.79	424.61	2.27	-62.52
CC[C@@H]1CN(C(=O)C(C)N2CC[NH+](C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113234	1	56	0.0	-64.79	424.61	2.27	-62.52
CC[C@@H]1CN(C(=O)CC[N@@H+]2CCC(F)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113239	0	51	0.0	-65.15	402.78	4.16	-60.99
CC[C@@H]1CN(C(=O)C2(C)CC(OC)C[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113255	0	55	0.0	-67.28	409.18	2.48	-64.80
CC[C@@H]1CN(C(=O)CC(C)C[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113282	0	53	0.0	-65.86	406.45	4.40	-61.46
CC[C@@H]1CN(C(=O)C2CC[N@@H+]3CCOCC23)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113304	0	53	0.0	-61.58	400.11	2.51	-59.07
CC[C@@H]1CN(C(=O)C2CC[N@H+]3CCOCC23)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113304	1	53	0.0	-61.58	400.11	2.51	-59.07
CC[C@@H]1CN(C(=O)CC2COCCN2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113334	0	52	0.0	-61.65	391.85	1.98	-59.67
CC[C@@H]1CN(C(=O)CC2COCC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113334	1	52	0.0	-67.50	399.02	2.15	-65.35
CC[C@@H]1CN(C(=O)CC2COCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113334	1	52	0.0	-67.50	399.02	2.15	-65.35
CC[C@@H]1CN(C(=O)C2=CN=C(N)C=C2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113416	0	47	0.0	-64.93	377.61	1.55	-63.38
CC[C@@H]1CN(C(=O)C2=C[NH+]=C(N)C=C2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113416	1	47	0.0	-64.93	377.61	1.55	-63.38
CC[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(O)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113482	0	52	0.0	-59.09	404.58	0.68	-58.41
CC[C@@H]1CN(C(=O)C2=CC=NN2CC[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113492	0	54	0.0	-64.62	423.42	3.53	-61.09
CC[C@@H]1CN(C(=O)CC2C[NH+](C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113529	0	48	0.0	-64.64	380.76	3.22	-61.42
CC[C@@H]1CN(C(=O)C2CC[N@@H+]2C2CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113535	0	55	0.0	-60.92	418.40	4.99	-55.93
CC[C@@H]1CN(C(=O)C2CC[N@H+]2C2CCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113535	1	55	0.0	-60.92	418.40	4.99	-55.93
CC[C@@H]1CN(C(=O)CC[N@H+](C)CCO)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113590	0	51	0.0	-61.44	399.15	0.29	-61.15
CC[C@@H]1CN(C(=O)CC[N@@H+](C)CCO)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113590	1	51	0.0	-61.44	399.15	0.29	-61.15
CC[C@@H]1CN(C(=O)CC2CCCC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113617	0	54	0.0	-56.32	400.73	4.46	-51.86
CC[C@@H]1CN(C(=O)CC2CCCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113617	1	54	0.0	-56.32	400.73	4.46	-51.86
CC[C@@H]1CN(C(=O)C2=CC3=C(C)N=CN3C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113650	0	49	0.0	-66.32	405.88	6.31	-60.01
CC[C@@H]1CN(C(=O)C2=CC3=C(C)[NH+]=CN3C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113650	1	49	0.0	-66.32	405.88	6.31	-60.01
CC[C@@H]1CN(C(=O)CN2CCC2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113657	0	48	0.0	-58.67	380.02	3.38	-55.29
CC[C@@H]1CN(C(=O)C[N@@H+]2CCC2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113657	1	48	0.0	-61.52	374.80	3.19	-58.33
CC[C@@H]1CN(C(=O)C[N@H+]2CCC2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113657	1	48	0.0	-61.52	374.80	3.19	-58.33
CC[C@@H]1CN(C(=O)C=CC[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113677	0	48	0.0	-67.98	386.16	3.62	-64.36
CC[C@@H]1CN(C(=O)CN2CC(C)(C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113692	0	51	0.0	-62.58	400.38	4.01	-58.57
CC[C@@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113692	1	51	0.0	-62.58	400.38	4.01	-58.57
CC[C@@H]1CN(C(=O)CCCC[NH+]2CCCCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113706	0	60	0.0	-66.15	456.33	6.42	-59.73
CC[C@@H]1CN(C(=O)CCC2=NC(C)=C(C)N2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113721	0	52	0.0	-57.64	419.02	3.64	-54.00
CC[C@@H]1CN(C(=O)CCC2=[NH+]C(C)=C(C)N2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113721	1	52	0.0	-57.64	419.02	3.64	-54.00
CC[C@@H]1CN(C(=O)C2(C3CC[NH+](C)CC3)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113734	0	58	0.0	-74.41	433.63	5.70	-68.71
CC[C@@H]1CN(C(=O)C2=CC3=C(C)N=CN3C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113744	0	49	0.0	-66.32	405.88	6.31	-60.01
CC[C@@H]1CN(C(=O)C2=CC3=C(C)[NH+]=CN3C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113744	1	49	0.0	-66.32	405.88	6.31	-60.01
CC[C@@H]1CN(C(=O)CSCC[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113756	0	51	0.0	-70.14	416.23	4.35	-65.79
CC[C@@H]1CN(C(=O)C2=CC3=C(CCCC3)N=C2N)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113780	0	54	0.0	-53.25	418.87	3.56	-49.69
CC[C@@H]1CN(C(=O)C2=CC3=C(CCCC3)[NH+]=C2N)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113780	1	54	0.0	-53.25	418.87	3.56	-49.69
CC[C@@H]1CN(C(=O)C[N@@H+]2CCCC2CO)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113788	0	52	0.0	-61.20	403.47	0.86	-60.34
CC[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113791	0	50	0.0	-58.39	380.23	3.35	-55.04
CC[C@@H]1CN(C(=O)C[N@H+](C)C2CCSC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113804	0	52	0.0	-68.23	408.68	4.63	-63.60
CC[C@@H]1CN(C(=O)CN2CCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113806	0	45	0.0	-61.03	359.03	2.80	-58.23
CC[C@@H]1CN(C(=O)C[NH+]2CCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113806	1	45	0.0	-61.03	359.03	2.80	-58.23
CC[C@@H]1CN(C(=O)CC[NH+](CC)CC)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113867	0	53	0.0	-64.11	407.63	4.34	-59.77
CC[C@@H]1CN(C(=O)C[NH+]2CCC(C(N)=O)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113893	0	55	0.0	-72.23	426.45	0.87	-71.36
CC[C@@H]1CN(C(=O)C2=CC(C[NH+](C)C)=CN2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113950	0	52	0.0	-69.31	410.61	3.77	-65.54
CC[C@@H]1CN(C(=O)C(C)[NH+]2CCC(O)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113975	0	55	0.0	-64.21	411.80	0.93	-63.28
CC[C@@H]1CN(C(=O)C2CC3COCC[N@@H+]3C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113983	0	53	0.0	-59.35	402.85	2.48	-56.87
CC[C@@H]1CN(C(=O)C2CC3COCC[N@H+]3C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113983	1	53	0.0	-62.58	405.24	2.52	-60.06
CC[C@@H]1CN(C(=O)C(C)[NH+]2CCC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030114002	1	48	0.0	-58.53	372.55	3.08	-55.45
CCC(CC(=O)N1C[C@@H](CC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030114013	0	56	0.0	-67.83	420.81	4.88	-62.95
CC[C@@H]1CN(C(=O)C=CC2=CC=C(N)[NH+]=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030114022	0	48	0.0	-66.97	395.70	2.58	-64.39
CC[C@@H]1CN(C(=O)C(C)(C)C[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030114023	0	53	0.0	-52.16	388.73	3.62	-48.54
CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030114102	0	51	0.0	-62.17	389.20	3.86	-58.31
CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030114102	1	51	0.0	-65.47	382.01	3.62	-61.85
CC[C@@H]1CN(C(=O)C2C[N@@H+]3CCN2CC3C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030114119	0	54	0.0	-69.30	398.51	0.92	-68.38
CC[C@@H]1CN(C(=O)C2C[N@H+]3CCN2CC3C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030114119	1	54	0.0	-55.62	397.63	0.92	-54.70
CC[C@@H]1CN(C(=O)CC(O)C[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030114149	0	51	0.0	-69.59	402.04	1.42	-68.17
CC[C@@H]1CN(C(=O)C2CC3CCC(C2)[NH+]3C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030114152	0	55	0.0	-56.74	383.42	4.18	-52.56
C=CCC(C(=O)N1C[C@@H](CC)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030114203	0	51	0.0	-58.69	390.35	3.74	-54.95
CC[C@@H]1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030114216	0	55	0.0	-60.90	413.99	4.86	-56.04
CC[C@@H]1CN(C(=O)C2CC3CCCC[N@H+]3C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030114216	1	55	0.0	-62.26	412.80	4.91	-57.35
CC[C@@H]1CN(C(=O)C2(C)CC[NH+](C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030114232	0	54	0.0	-67.65	396.67	3.89	-63.76
CC[C@@H]1CN(C(=O)CC2(O)CC[NH+](C)CC2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030114237	0	55	0.0	-68.47	420.28	2.73	-65.74
CC[C@@H]1CN(C(=O)CC2CCC[N@@H+]2CCOC)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030114253	0	58	0.0	-59.46	446.74	3.71	-55.75
CC[C@@H]1CN(C(=O)CC2CCC[N@H+]2CCOC)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030114253	1	58	0.0	-59.67	438.34	3.63	-56.04
CC[C@@H]1CN(C(=O)CC2CC3CCC(C2)[NH+]3C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030114268	0	58	0.0	-68.60	415.01	4.85	-63.75
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=NN1CC[NH+](C)C	REAL300030114309	0	54	0.0	-68.04	425.87	3.69	-64.35
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1(C2CC[NH+](C)CC2)CC1	REAL300030114356	0	58	0.0	-63.68	434.15	5.98	-57.70
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC2=C(C)[NH+]=CN2C=C1	REAL300030114368	1	49	0.0	-71.18	398.09	6.23	-64.95
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CSCC[NH+](C)C	REAL300030114379	0	51	0.0	-73.15	412.64	4.10	-69.05
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC2COCC[N@@H+]2C1	REAL300030114391	0	53	0.0	-67.79	405.27	2.59	-65.20
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1CC2COCC[N@H+]2C1	REAL300030114391	1	53	0.0	-72.04	405.64	2.60	-69.44
C[N@@H+]1CCCC1C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030114557	0	53	0.0	-73.79	387.05	4.38	-69.41
C[N@H+]1CCCC1C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030114557	1	53	0.0	-76.23	384.37	4.30	-71.93
C[N@@H+]1CCOC(C(=O)N2CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C2)C1	REAL300030114581	1	54	0.0	-83.52	401.70	4.12	-79.40
C[N@H+]1CCOC(C(=O)N2CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C2)C1	REAL300030114581	1	54	0.0	-81.24	394.68	3.95	-77.29
CC1=[NH+]C=CN1CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030114732	1	51	0.0	-63.62	398.37	5.50	-58.12
C[C@@H]1[C@H](C(=O)N2CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C2)CC[N@@H+]1C	REAL300030114767	0	56	0.0	-79.15	404.06	5.09	-74.06
C[C@@H]1[C@H](C(=O)N2CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C2)CC[N@H+]1C	REAL300030114767	1	56	0.0	-66.34	405.65	4.96	-61.38
C[NH+](C)C1(C(=O)N2CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C2)CCC1	REAL300030114809	0	56	0.0	-77.52	391.61	4.73	-72.79
CC(C)[C@@H](C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1)[NH+](C)C	REAL300030114811	0	58	0.0	-68.18	411.64	5.57	-62.61
C[N@H+](CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3)C1CCC1	REAL300030114826	0	56	0.0	-70.80	414.80	5.86	-64.94
C[N@@H+](CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3)C1CCC1	REAL300030114826	1	56	0.0	-70.22	414.75	5.84	-64.38
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030114854	1	55	0.0	-65.91	410.93	5.50	-60.41
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030114854	1	55	0.0	-62.12	418.17	6.02	-56.10
C[NH+]1CCC(C(=O)N2CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C2)CC1	REAL300030114869	0	56	0.0	-76.30	409.01	5.26	-71.04
C[N@@H+]1CCCCC1C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030114883	0	56	0.0	-71.08	409.28	5.44	-65.64
C[N@H+]1CCCCC1C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030114883	1	56	0.0	-69.03	397.42	4.96	-64.07
CC1=C[NH+]=CN1CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030114926	1	51	0.0	-70.29	398.29	6.21	-64.08
C[N@@H+]1CCC(CC(=O)N2CC34CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C4)C1	REAL300030114940	0	56	0.0	-71.32	415.39	5.48	-65.84
C[N@H+]1CCC(CC(=O)N2CC34CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C4)C1	REAL300030114940	1	56	0.0	-71.48	415.43	5.50	-65.98
CCC(C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1)[NH+](C)C	REAL300030114945	0	55	0.0	-68.50	398.54	4.95	-63.55
C[NH+](C)CCCCC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030114973	0	58	0.0	-73.06	433.91	6.02	-67.04
CC(C)C(C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1)[NH+](C)C	REAL300030114979	0	58	0.0	-56.74	409.87	5.41	-51.33
CCC[N@H+](C)CCC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030114980	0	58	0.0	-75.05	430.28	5.90	-69.15
CCC[N@@H+](C)CCC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030114980	1	58	0.0	-79.53	430.27	5.87	-73.66
CCC[N@H+](C)CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030114981	0	55	0.0	-77.74	407.87	5.27	-72.47
CCC[N@@H+](C)CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030114981	1	55	0.0	-63.80	408.17	5.29	-58.51
C[N@@H+]1CCC[C@@H]1C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030115002	0	53	0.0	-72.51	387.16	4.38	-68.13
C[N@H+]1CCC[C@@H]1C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030115002	1	53	0.0	-64.44	386.84	4.58	-59.86
CC[NH+](CC)CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030115023	0	55	0.0	-70.95	404.98	5.21	-65.74
C[NH+](C)CC1(C(=O)N2CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C2)CC1	REAL300030115086	0	56	0.0	-75.09	418.14	5.51	-69.58
C[NH+]1CCC(C(=O)N2CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C2)CC1	REAL300030115120	0	56	0.0	-76.30	409.01	5.26	-71.04
CC(C)[C@H](C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1)[NH+](C)C	REAL300030115135	0	58	0.0	-75.34	403.43	5.26	-70.08
CC[N@H+](C)CCC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030115182	0	55	0.0	-72.86	408.65	5.11	-67.75
CC[N@@H+](C)CCC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030115182	1	55	0.0	-73.11	408.64	5.10	-68.01
CC1CCC[N@@H+]1CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030115197	0	56	0.0	-68.80	407.22	5.21	-63.59
CC1CCC[N@H+]1CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030115197	1	56	0.0	-68.95	407.37	5.24	-63.71
CC1CC[N@H+](CC(=O)N2CC34CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C4)C1	REAL300030115198	0	56	0.0	-71.31	413.90	5.54	-65.77
CC1CC[N@@H+](CC(=O)N2CC34CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C4)C1	REAL300030115198	1	56	0.0	-71.70	414.68	5.59	-66.11
CC[C@@H](C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1)[NH+](C)C	REAL300030115202	0	55	0.0	-73.77	397.28	4.75	-69.02
C[NH+](C)CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030115256	0	49	0.0	-64.85	368.94	3.88	-60.97
CN1C=C[N+](CC(=O)N2CC34CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C4)=C1	REAL300030115257	0	51	0.0	-59.22	400.23	7.38	-51.84
C[N@@H+]1CCCC(C(=O)N2CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C2)C1	REAL300030115260	0	56	0.0	-62.38	403.27	5.39	-56.99
C[N@H+]1CCCC(C(=O)N2CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C2)C1	REAL300030115260	1	56	0.0	-67.94	403.24	5.45	-62.49
CC(C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1)[NH+]1CCC1	REAL300030115272	1	53	0.0	-75.40	390.12	4.64	-70.76
C[NH+](C)CC(C)(C)C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030115277	0	58	0.0	-76.25	409.22	5.03	-71.22
C[N@H+](CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3)C1CC1	REAL300030115284	0	53	0.0	-70.21	397.97	5.28	-64.93
C[N@@H+](CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3)C1CC1	REAL300030115284	1	53	0.0	-61.20	398.36	5.30	-55.90
C[NH+]1CC(CC(=O)N2CC34CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C4)C1	REAL300030115296	0	53	0.0	-65.83	400.38	4.72	-61.11
C[C@@H](C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1)[NH+](C)C	REAL300030115310	0	52	0.0	-75.96	385.24	4.25	-71.71
C[N@H+](CCO)CCC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030115354	0	56	0.0	-78.24	419.13	1.91	-76.33
C[N@@H+](CCO)CCC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030115354	1	56	0.0	-73.77	419.09	1.92	-71.85
C[C@@H](C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1)[NH+](C)C	REAL300030115355	0	52	0.0	-75.96	385.24	4.25	-71.71
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030115358	0	56	0.0	-74.48	401.36	5.17	-69.31
C[N@H+]1CCCC[C@@H]1C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030115358	1	56	0.0	-67.87	409.14	5.43	-62.44
O=C(C[NH+]1CCC1)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030115391	1	50	0.0	-66.97	381.05	4.34	-62.63
C[N@@H+]1CCC(=CC(=O)N2CC34CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C4)C1	REAL300030115401	0	54	0.0	-73.46	405.63	5.45	-68.01
C[N@H+]1CCC(=CC(=O)N2CC34CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C4)C1	REAL300030115401	1	54	0.0	-79.05	405.34	5.44	-73.61
C[NH+](C)CCOCC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030115413	0	56	0.0	-71.77	424.79	5.02	-66.75
C[C@H](C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1)[NH+](C)C	REAL300030115427	0	52	0.0	-71.92	384.88	4.14	-67.78
CC1C[NH+](CC(=O)N2CC34CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C4)C1	REAL300030115445	1	53	0.0	-68.36	400.01	4.96	-63.40
C[N@H+](CCO)CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030115458	1	53	0.0	-72.35	396.63	1.29	-71.06
C[N@@H+](CCO)CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030115458	1	53	0.0	-77.76	396.51	1.31	-76.45
CC(CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3)C[NH+](C)C	REAL300030115472	0	58	0.0	-73.21	426.13	5.92	-67.29
CC[N@H+](C)CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030115475	0	52	0.0	-64.06	386.67	4.55	-59.51
CC[N@@H+](C)CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030115475	1	52	0.0	-77.34	386.37	4.54	-72.80
CC[N@H+](CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3)C1CC1	REAL300030115491	0	56	0.0	-69.01	417.62	5.88	-63.13
CC[N@@H+](CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3)C1CC1	REAL300030115491	1	56	0.0	-70.53	415.04	5.85	-64.68
CC[NH+](CC)CCC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030115498	0	58	0.0	-68.07	426.89	5.84	-62.23
CC1(C)C[NH+](CC(=O)N2CC34CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C4)C1	REAL300030115506	1	56	0.0	-77.75	419.14	5.44	-72.31
C[NH+](C)CC=CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030115517	0	53	0.0	-75.97	403.44	5.08	-70.89
COCC[N@H+](C)CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030115527	1	56	0.0	-77.55	418.76	3.72	-73.83
COCC[N@@H+](C)CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030115527	1	56	0.0	-63.85	419.27	3.72	-60.13
CC(CCC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3)[NH+](C)C	REAL300030115540	0	58	0.0	-77.23	422.28	5.65	-71.58
CC[N@@H+]1CCC1C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030115546	1	53	0.0	-75.51	390.53	4.36	-71.15
CC[N@H+]1CCC1C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030115546	1	53	0.0	-67.46	399.81	4.83	-62.63
C=CCC(C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1)[NH+](C)C	REAL300030115579	0	56	0.0	-70.15	412.49	5.43	-64.72
O=C(C[NH+]1CC2CC2C1)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030115590	0	54	0.0	-77.71	404.24	5.74	-71.97
CCCC(C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1)[NH+](C)C	REAL300030115600	0	58	0.0	-70.36	414.95	5.68	-64.68
C[NH+](C)C(C)(C)C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030115602	0	55	0.0	-78.37	389.40	4.89	-73.48
C[N@@H+]1CCCCC1C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030115616	0	56	0.0	-71.08	409.28	5.44	-65.64
C[N@H+]1CCCCC1C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030115616	1	56	0.0	-69.03	397.42	4.96	-64.07
C[NH+](C)C1(C(=O)N2CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C2)CC1	REAL300030115671	0	53	0.0	-78.69	390.96	4.58	-74.11
O=C(CC[NH+]1CCCC1)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030115672	0	56	0.0	-67.93	417.26	5.64	-62.29
C[N@@H+]1CC2CC1(C(=O)N1CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C1)C2	REAL300030115690	0	54	0.0	-79.08	395.39	5.09	-73.99
C[N@H+]1CC2CC1(C(=O)N1CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C1)C2	REAL300030115690	1	54	0.0	-77.67	397.20	4.99	-72.68
O=C(C[N@@H+]1CC2C=CC1C2)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030115717	1	55	0.0	-64.88	410.32	5.89	-58.99
O=C(C[N@H+]1CC2C=CC1C2)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030115717	1	55	0.0	-68.04	407.91	5.73	-62.31
CC(C[NH+](C)C)C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030115737	0	55	0.0	-69.06	403.44	4.89	-64.17
CC(C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1)[NH+]1CC(C)C1	REAL300030115767	1	56	0.0	-68.80	413.18	5.22	-63.58
CC1CC[N@@H+]1CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030115768	1	53	0.0	-63.02	394.71	4.70	-58.32
CC1CC[N@H+]1CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030115768	1	53	0.0	-62.63	400.31	4.97	-57.66
C[NH+](C)CC(O)CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030115770	0	56	0.0	-75.91	421.19	2.94	-72.97
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C2)C1	REAL300030115812	0	56	0.0	-75.70	418.02	5.58	-70.12
CC(CC[NH+](C)C)C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030115815	0	58	0.0	-70.45	425.12	5.53	-64.92
NC(=[NH2+])SCC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030115844	0	47	0.0	-73.38	377.12	0.79	-72.59
CCC1CN(CC(=O)N2CC34CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C4)C1	REAL300030115920	0	56	0.0	-79.11	420.96	5.67	-73.44
CCC1C[NH+](CC(=O)N2CC34CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C4)C1	REAL300030115920	1	56	0.0	-79.11	420.96	5.67	-73.44
C[N@@H+]1CCC[C@H]1C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030115924	0	53	0.0	-58.27	385.26	4.30	-53.97
CC1C(C(=O)N2CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C2)CC[N@@H+]1C	REAL300030115939	0	56	0.0	-78.25	404.73	5.18	-73.07
CC1C(C(=O)N2CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C2)CC[N@H+]1C	REAL300030115939	1	56	0.0	-78.25	404.73	5.18	-73.07
C[N@@H+]1CCCC1C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030116127	0	53	0.0	-76.23	384.37	4.30	-71.93
CN1CCOC(C(=O)N2CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C2)C1	REAL300030116153	0	54	0.0	-83.52	401.70	4.12	-79.40
C[N@@H+]1CCOC(C(=O)N2CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C2)C1	REAL300030116153	1	54	0.0	-81.24	394.68	3.95	-77.29
C[N@H+]1CCOC(C(=O)N2CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C2)C1	REAL300030116153	1	54	0.0	-81.24	394.68	3.95	-77.29
C[N@@H+]1CCC(CC(=O)N2CC34CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C4)C1	REAL300030116313	0	56	0.0	-71.48	415.43	5.50	-65.98
C[N@H+]1CCC(CC(=O)N2CC34CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C4)C1	REAL300030116313	1	56	0.0	-71.48	415.43	5.50	-65.98
CCC(C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1)[NH+](C)C	REAL300030116318	0	55	0.0	-68.50	398.54	4.95	-63.55
C[NH+](C)CCCCC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030116341	0	58	0.0	-73.06	433.91	6.02	-67.04
CC(C)C(C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1)[NH+](C)C	REAL300030116349	0	58	0.0	-56.74	409.87	5.41	-51.33
CCC[N@H+](C)CCC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030116350	0	58	0.0	-79.53	430.27	5.87	-73.66
CCC[N@@H+](C)CCC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030116350	1	58	0.0	-79.53	430.27	5.87	-73.66
CCC[N@H+](C)CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030116351	0	55	0.0	-63.80	408.17	5.29	-58.51
CCC[N@@H+](C)CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030116351	1	55	0.0	-63.80	408.17	5.29	-58.51
C[NH+](C)CC1(C(=O)N2CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C2)CC1	REAL300030116403	0	56	0.0	-75.09	418.14	5.51	-69.58
CC[N@H+](C)CCC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030116417	0	55	0.0	-73.11	408.64	5.10	-68.01
CC[N@@H+](C)CCC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030116417	1	55	0.0	-73.11	408.64	5.10	-68.01
C[NH+]1CCC(C(=O)N2CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C2)CC1	REAL300030116453	0	56	0.0	-76.30	409.01	5.26	-71.04
CC(C)[C@H](C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1)[NH+](C)C	REAL300030116468	0	58	0.0	-75.34	403.43	5.26	-70.08
C[NH+](C)C1(C(=O)N2CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C2)CCC1	REAL300030116513	0	56	0.0	-77.52	391.61	4.73	-72.79
CC1CCC[N@@H+]1CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030116543	0	56	0.0	-68.95	407.37	5.24	-63.71
CC1CCC[N@H+]1CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030116543	1	56	0.0	-68.95	407.37	5.24	-63.71
CC(C)[C@@H](C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1)[NH+](C)C	REAL300030116563	0	58	0.0	-68.18	411.64	5.57	-62.61
CC1CC[N@H+](CC(=O)N2CC34CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C4)C1	REAL300030116572	0	56	0.0	-71.70	414.68	5.59	-66.11
CC1CC[N@@H+](CC(=O)N2CC34CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C4)C1	REAL300030116572	1	56	0.0	-71.70	414.68	5.59	-66.11
CC[C@@H](C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1)[NH+](C)C	REAL300030116576	0	55	0.0	-73.77	397.28	4.75	-69.02
CC1=NC=CN1CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030116634	0	51	0.0	-63.62	398.37	5.50	-58.12
CC1=[NH+]C=CN1CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030116634	1	51	0.0	-63.62	398.37	5.50	-58.12
CC1=CN=CN1CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030116679	0	51	0.0	-70.29	398.29	6.21	-64.08
CC1=C[NH+]=CN1CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030116679	1	51	0.0	-70.29	398.29	6.21	-64.08
C[C@@H]1[C@H](C(=O)N2CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C2)CC[N@@H+]1C	REAL300030116682	0	56	0.0	-66.34	405.65	4.96	-61.38
C[C@@H]1[C@H](C(=O)N2CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C2)CC[N@H+]1C	REAL300030116682	1	56	0.0	-66.34	405.65	4.96	-61.38
C[N@H+](CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3)C1CCC1	REAL300030116741	0	56	0.0	-70.22	414.75	5.84	-64.38
C[N@@H+](CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3)C1CCC1	REAL300030116741	1	56	0.0	-70.22	414.75	5.84	-64.38
C[NH+]1CCC(C(=O)N2CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C2)CC1	REAL300030116753	0	56	0.0	-76.30	409.01	5.26	-71.04
C[N@@H+]1CCC[C@@H]1C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030116770	0	53	0.0	-64.44	386.84	4.58	-59.86
C#CCN1CCC[C@H]1C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030116785	0	55	0.0	-65.91	410.93	5.50	-60.41
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030116785	1	55	0.0	-62.12	418.17	6.02	-56.10
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030116785	1	55	0.0	-62.12	418.17	6.02	-56.10
C[N@@H+]1CCCCC1C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030116833	0	56	0.0	-69.03	397.42	4.96	-64.07
CC1C(C(=O)N2CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C2)CC[N@@H+]1C	REAL300030116875	0	56	0.0	-72.16	409.06	5.18	-66.98
CC1C(C(=O)N2CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C2)CC[N@H+]1C	REAL300030116875	1	56	0.0	-78.25	404.73	5.18	-73.07
C[C@@H](C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1)[NH+](C)C	REAL300030116924	0	52	0.0	-75.96	385.24	4.25	-71.71
O=C(CC[NH+]1CCCC1)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030116943	0	56	0.0	-67.93	417.26	5.64	-62.29
C[N@H+](CCO)CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030116948	1	53	0.0	-72.35	396.63	1.29	-71.06
C[N@@H+](CCO)CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030116948	1	53	0.0	-77.76	396.51	1.31	-76.45
CC1C[NH+](CC(=O)N2CC34CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C4)C1	REAL300030117016	1	53	0.0	-68.36	400.01	4.96	-63.40
NC1=[NH+]C=CC=C1CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030117023	0	52	0.0	-64.89	403.19	3.71	-61.18
CC[N@H+](C)CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030117072	0	52	0.0	-64.06	386.67	4.55	-59.51
CC[N@@H+](C)CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030117072	1	52	0.0	-77.34	386.37	4.54	-72.80
O=C(C[N@@H+]1CC2C=CC1C2)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030117097	1	55	0.0	-64.88	410.32	5.89	-58.99
O=C(C[N@H+]1CC2C=CC1C2)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030117097	1	55	0.0	-68.04	407.91	5.73	-62.31
COCC[N@H+](C)CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030117148	1	56	0.0	-77.55	418.76	3.72	-73.83
COCC[N@@H+](C)CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030117148	1	56	0.0	-63.85	419.27	3.72	-60.13
CC(CCC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3)[NH+](C)C	REAL300030117150	0	58	0.0	-77.23	422.28	5.65	-71.58
CC[N@H+](CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3)C1CC1	REAL300030117158	0	56	0.0	-69.01	417.62	5.88	-63.13
CC[N@@H+](CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3)C1CC1	REAL300030117158	1	56	0.0	-70.53	415.04	5.85	-64.68
C[N@@H+]1CC2CC1(C(=O)N1CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C1)C2	REAL300030117176	0	54	0.0	-79.08	395.39	5.09	-73.99
C[N@H+]1CC2CC1(C(=O)N1CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C1)C2	REAL300030117176	1	54	0.0	-77.67	397.20	4.99	-72.68
CC(C[NH+](C)C)C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030117193	0	55	0.0	-69.06	403.44	4.89	-64.17
C[NH+](C)C1(C(=O)N2CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C2)CC1	REAL300030117199	0	53	0.0	-78.69	390.96	4.58	-74.11
C[C@H](C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1)[NH+](C)C	REAL300030117212	0	52	0.0	-71.92	384.88	4.14	-67.78
CC[N@@H+]1CCC1C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030117215	1	53	0.0	-75.51	390.53	4.36	-71.15
CC[N@H+]1CCC1C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030117215	1	53	0.0	-67.46	399.81	4.83	-62.63
NC1=CC=[NH+]C=C1C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030117237	0	49	0.0	-77.80	376.45	1.79	-76.01
CCCC(C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1)[NH+](C)C	REAL300030117243	0	58	0.0	-70.36	414.95	5.68	-64.68
C[NH+](C)C(C)(C)C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030117246	0	55	0.0	-78.37	389.40	4.89	-73.48
CC(CC[NH+](C)C)C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030117258	0	58	0.0	-70.45	425.12	5.53	-64.92
O=C(C[NH+]1CC2CC2C1)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030117349	0	54	0.0	-77.71	404.24	5.74	-71.97
C[N@@H+]1CCCCC1C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030117362	0	56	0.0	-71.08	409.28	5.44	-65.64
C[N@H+]1CCCCC1C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030117362	1	56	0.0	-69.03	397.42	4.96	-64.07
C[N@@H+]1CCC(=CC(=O)N2CC34CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C4)C1	REAL300030117401	0	54	0.0	-73.46	405.63	5.45	-68.01
C[N@H+]1CCC(=CC(=O)N2CC34CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C4)C1	REAL300030117401	1	54	0.0	-79.05	405.34	5.44	-73.61
O=C(CNC1=CC=[NH+]C=C1)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030117403	0	52	0.0	-71.70	404.64	3.16	-68.54
CCC1C[NH+](CC(=O)N2CC34CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C4)C1	REAL300030117441	1	56	0.0	-79.11	420.96	5.67	-73.44
C[N@@H+]1CCC[C@H]1C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030117447	0	53	0.0	-63.64	391.87	4.72	-58.92
C[N@H+]1CCC[C@H]1C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030117447	1	53	0.0	-58.27	385.26	4.30	-53.97
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C2)C1	REAL300030117505	0	56	0.0	-75.70	418.02	5.58	-70.12
C[NH+](C)CCOCC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030117532	0	56	0.0	-71.77	424.79	5.02	-66.75
C[N@@H+]1CCCC(C(=O)N2CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C2)C1	REAL300030117583	0	56	0.0	-67.94	403.24	5.45	-62.49
C[N@H+]1CCCC(C(=O)N2CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C2)C1	REAL300030117583	1	56	0.0	-67.94	403.24	5.45	-62.49
CN1C=C[N+](CC(=O)N2CC34CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C4)=C1	REAL300030117584	0	51	0.0	-59.22	400.23	7.38	-51.84
C[N@H+](CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3)C1CC1	REAL300030117597	0	53	0.0	-61.20	398.36	5.30	-55.90
CC(CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3)C[NH+](C)C	REAL300030117610	0	58	0.0	-73.21	426.13	5.92	-67.29
CC1=CC(N)=NC=C1C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030117654	0	52	0.0	-77.27	397.80	3.09	-74.18
CC1=CC(N)=[NH+]C=C1C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030117654	1	52	0.0	-77.27	397.80	3.09	-74.18
C[NH+]1CC(CC(=O)N2CC34CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C4)C1	REAL300030117685	0	53	0.0	-65.83	400.38	4.72	-61.11
C[N@H+](CCO)CCC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030117703	0	56	0.0	-73.77	419.09	1.92	-71.85
C[N@@H+](CCO)CCC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030117703	1	56	0.0	-73.77	419.09	1.92	-71.85
CC(C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1)N1CC(C)C1	REAL300030117723	0	56	0.0	-68.80	413.18	5.22	-63.58
CC(C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1)[NH+]1CC(C)C1	REAL300030117723	1	56	0.0	-68.80	413.18	5.22	-63.58
CC1CCN1CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030117724	0	53	0.0	-63.02	394.71	4.70	-58.32
CC1CC[N@@H+]1CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030117724	1	53	0.0	-62.63	400.31	4.97	-57.66
CC1CC[N@H+]1CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030117724	1	53	0.0	-62.63	400.31	4.97	-57.66
C[NH+](C)CC=CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030117728	0	53	0.0	-75.97	403.44	5.08	-70.89
CC1(C)CN(CC(=O)N2CC34CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C4)C1	REAL300030117732	0	56	0.0	-77.75	419.14	5.44	-72.31
CC1(C)C[NH+](CC(=O)N2CC34CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C4)C1	REAL300030117732	1	56	0.0	-77.75	419.14	5.44	-72.31
CC[NH+](CC)CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030117758	0	55	0.0	-70.95	404.98	5.21	-65.74
O=C(CN1CCC1)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030117765	0	50	0.0	-66.97	381.05	4.34	-62.63
O=C(C[NH+]1CCC1)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030117765	1	50	0.0	-66.97	381.05	4.34	-62.63
CC[NH+](CC)CCC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030117787	0	58	0.0	-68.07	426.89	5.84	-62.23
CC(C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1)N1CCC1	REAL300030117828	0	53	0.0	-75.40	390.12	4.64	-70.76
CC(C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1)[NH+]1CCC1	REAL300030117828	1	53	0.0	-75.40	390.12	4.64	-70.76
C[NH+](C)CC(C)(C)C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030117834	0	58	0.0	-76.25	409.22	5.03	-71.22
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030117857	0	56	0.0	-74.48	401.36	5.17	-69.31
C[N@H+]1CCCC[C@@H]1C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030117857	1	56	0.0	-67.87	409.14	5.43	-62.44
C[NH+](C)CC(O)CC(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030117869	0	56	0.0	-75.91	421.19	2.94	-72.97
C=CCC(C(=O)N1CC23CCCC2(CN(C(=O)C2=CC(=O)[N-]O2)C3)C1)[NH+](C)C	REAL300030117885	0	56	0.0	-70.15	412.49	5.43	-64.72
C[N@@H+]1CCCC1C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030118093	0	51	0.0	-71.14	375.77	3.66	-67.48
C[N@H+]1CCCC1C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030118093	1	51	0.0	-64.69	374.26	3.61	-61.08
C[N@@H+]1CCOC(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030118117	1	52	0.0	-62.95	384.51	3.35	-59.60
C[N@H+]1CCOC(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030118117	1	52	0.0	-65.10	386.22	3.42	-61.68
CC(C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCCCC1	REAL300030118278	0	60	0.0	-65.72	425.52	5.56	-60.16
CC(C)[N@@H+]1CCCCC1C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030118280	0	60	0.0	-64.68	428.70	5.64	-59.04
CC(C)[N@H+]1CCCCC1C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030118280	1	60	0.0	-63.41	422.50	5.73	-57.68
CC(C)[N@@H+]1CCCC1C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030118301	0	57	0.0	-63.49	407.33	5.29	-58.20
CC(C)[N@H+]1CCCC1C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030118301	1	57	0.0	-64.89	408.42	5.32	-59.57
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2CCCC[N@@H+]2C1	REAL300030118317	0	58	0.0	-74.79	423.39	5.79	-69.00
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2CCCC[N@H+]2C1	REAL300030118317	1	58	0.0	-67.88	421.67	5.81	-62.07
CC(C)C1=[NH+]C=CN1CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030118338	1	55	0.0	-65.11	423.55	5.85	-59.26
CC1=[NH+]C=CN1CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030118368	1	49	0.0	-67.20	382.59	4.64	-62.56
CC(C[NH+]1CCOCC1)C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030118369	0	58	0.0	-71.33	425.52	3.81	-67.52
O=C(CCC[NH+]1CCCCC1)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030118385	0	60	0.0	-71.24	439.24	6.27	-64.97
CC(C)(C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCCC1	REAL300030118403	0	60	0.0	-69.18	423.55	6.04	-63.14
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1C[NH+]2CCC1CC2	REAL300030118411	0	55	0.0	-79.18	395.57	4.88	-74.30
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCCC2CCC[N@@H+]21	REAL300030118452	0	58	0.0	-62.84	420.57	5.95	-56.89
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCCC2CCC[N@H+]21	REAL300030118452	1	58	0.0	-66.18	410.58	5.57	-60.61
C[C@@H]1[C@H](C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300030118466	0	54	0.0	-69.18	392.03	4.29	-64.89
C[C@@H]1[C@H](C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300030118466	1	54	0.0	-69.37	398.60	4.36	-65.01
CC[C@@H]1[C@@H](C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300030118470	0	57	0.0	-69.70	411.51	4.74	-64.96
CC[C@@H]1[C@@H](C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300030118470	1	57	0.0	-66.94	415.67	5.26	-61.68
CC[N@@H+]1CCOC(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030118480	1	55	0.0	-62.80	402.26	4.00	-58.80
CC[N@H+]1CCOC(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030118480	1	55	0.0	-64.99	404.02	4.05	-60.94
CC[NH+](CC)CC(F)C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030118521	0	56	0.0	-67.10	414.62	4.84	-62.26
CC1CCC(C)[NH+]1CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030118584	0	57	0.0	-64.55	411.46	4.96	-59.59
O=C(CCC[NH+]1CCCC1)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030118590	0	57	0.0	-71.24	424.02	5.60	-65.64
C#CC[NH+]1CCC(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030118595	0	56	0.0	-75.83	423.45	5.88	-69.95
O=C(CC[NH+]1CCCCC1)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030118596	0	57	0.0	-70.26	417.73	5.47	-64.79
CC[N@@H+]1CCCCC1C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030118602	0	57	0.0	-67.16	415.59	5.36	-61.80
CC[N@H+]1CCCCC1C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030118602	1	57	0.0	-64.63	405.90	5.23	-59.40
CC(C)C[N@@H+]1CCC(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030118616	0	60	0.0	-71.35	439.73	6.01	-65.34
CC(C)C[N@H+]1CCC(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030118616	1	60	0.0	-70.78	441.46	6.03	-64.75
C[NH+](C)C1(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300030118620	0	54	0.0	-65.17	388.34	4.61	-60.56
CC(C)[N@@H+]1CCCC1CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030118622	0	60	0.0	-65.42	423.42	5.16	-60.26
CC(C)[N@H+]1CCCC1CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030118622	1	60	0.0	-64.86	426.13	5.22	-59.64
CC(C)[C@@H](C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030118635	0	56	0.0	-64.56	403.55	5.24	-59.32
C[N@H+](CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300030118676	0	54	0.0	-66.95	400.29	5.04	-61.91
C[N@@H+](CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300030118676	1	54	0.0	-66.12	400.42	5.05	-61.07
CC(C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1C(C)CCC1C	REAL300030118735	0	60	0.0	-62.56	424.66	5.52	-57.04
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030118794	1	53	0.0	-68.91	401.23	4.81	-64.10
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030118794	1	53	0.0	-68.06	408.49	5.39	-62.67
C[N@@H+]1CCCC1CCC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030118800	0	57	0.0	-71.25	416.03	5.08	-66.17
C[N@H+]1CCCC1CCC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030118800	1	57	0.0	-71.15	417.45	5.17	-65.98
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CCC[NH+](CCC1)C2	REAL300030118809	0	58	0.0	-71.12	411.58	5.26	-65.86
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC2CCCC[N@@H+]21	REAL300030118812	0	58	0.0	-63.79	416.57	5.59	-58.20
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC2CCCC[N@H+]21	REAL300030118812	1	58	0.0	-63.24	422.04	6.01	-57.23
O=C(CCCC[NH+]1CCCC1)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030118828	0	60	0.0	-72.33	445.52	6.39	-65.94
C[NH+]1CCC(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030118839	0	54	0.0	-76.13	398.78	4.73	-71.40
C[NH+](C)CC1=CC(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=NO1	REAL300030118874	1	53	0.0	-80.35	413.30	4.09	-76.26
CC1=C(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C=CC2=C[NH+]=CN21	REAL300030118875	0	52	0.0	-68.00	407.93	6.96	-61.04
C[N@@H+]1CCCCC1C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030118906	0	54	0.0	-68.17	396.30	4.65	-63.52
C[N@H+]1CCCCC1C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030118906	1	54	0.0	-69.32	387.28	4.46	-64.86
CC(C)C[N@@H+]1CCCC1C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030118928	0	60	0.0	-64.66	433.12	5.71	-58.95
CC(C)C[N@H+]1CCCC1C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030118928	1	60	0.0	-65.94	434.95	5.75	-60.19
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN2C=[NH+]C=C2C=C1	REAL300030119028	0	49	0.0	-72.04	384.36	6.58	-65.46
CC1=[NH+]C=CN1CCCC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030119036	1	55	0.0	-69.50	425.16	5.98	-63.52
O=C(CC[NH+]1CCOCC1)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030119041	1	55	0.0	-73.15	409.46	3.07	-70.08
CC1=C[NH+]=CN1CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030119071	1	49	0.0	-67.45	382.90	5.36	-62.09
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CCC[NH+]1CCC2	REAL300030119110	0	55	0.0	-72.34	398.79	5.03	-67.31
C[NH+](C)C1CCCC(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030119134	0	60	0.0	-72.04	433.02	5.91	-66.13
C[N@@H+]1CCC(CC(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030119137	0	54	0.0	-73.47	400.98	4.63	-68.84
C[N@H+]1CCC(CC(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030119137	1	54	0.0	-74.51	400.56	4.66	-69.85
CN(C)C1=CC=[NH+]C=C1C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030119149	0	53	0.0	-76.42	405.08	3.87	-72.55
CCC(C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030119154	0	53	0.0	-68.06	386.04	4.15	-63.91
C[NH+](C)C1(CC(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCCC1	REAL300030119166	0	60	0.0	-67.77	423.44	5.77	-62.00
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC2=C[NH+]=CN2C=C1	REAL300030119207	1	49	0.0	-76.30	384.63	6.58	-69.72
C[NH+](C)CCCCC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030119261	0	56	0.0	-73.89	419.55	5.20	-68.69
CC(C)C(C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030119281	0	56	0.0	-63.90	400.97	5.05	-58.85
CCC[N@H+](C)CCC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030119283	0	56	0.0	-71.47	415.78	5.02	-66.45
CCC[N@@H+](C)CCC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030119283	1	56	0.0	-71.72	415.78	5.02	-66.70
CCC[N@H+](C)CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030119288	0	53	0.0	-68.72	393.42	4.46	-64.26
CCC[N@@H+](C)CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030119288	1	53	0.0	-68.50	393.43	4.48	-64.02
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CC[N@H+](C1)CCC2	REAL300030119311	0	55	0.0	-70.81	397.32	4.34	-66.47
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CC[N@@H+](C1)CCC2	REAL300030119311	1	55	0.0	-72.40	397.18	4.35	-68.05
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030119347	0	51	0.0	-64.69	374.01	3.60	-61.09
C[N@H+]1CCC[C@@H]1C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030119347	1	51	0.0	-66.87	379.31	4.13	-62.74
CCCCCC[N@H+](C)CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030119404	0	62	0.0	-69.78	457.91	6.83	-62.95
CCCCCC[N@@H+](C)CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030119404	1	62	0.0	-69.57	457.92	6.83	-62.74
CC[NH+](CC)C(C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(C)C	REAL300030119408	0	62	0.0	-64.13	437.19	6.19	-57.94
CC[NH+](CC)CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030119417	0	53	0.0	-67.91	391.92	4.46	-63.45
CCC[N@@H+]1CCCC(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030119449	0	60	0.0	-64.91	431.69	6.28	-58.63
CCC[N@H+]1CCCC(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030119449	1	60	0.0	-70.49	439.53	6.15	-64.34
CC(C)[N@@H+]1CCOC(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030119464	0	58	0.0	-74.25	427.95	4.73	-69.52
CC(C)[N@H+]1CCOC(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030119464	1	58	0.0	-73.55	426.34	4.67	-68.88
CC1CC[NH+](CC(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030119493	0	57	0.0	-68.88	418.59	5.63	-63.25
C[NH+]1CCC(OCC(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030119519	0	58	0.0	-78.56	434.14	5.16	-73.40
C[NH+](C)CC1(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030119530	0	54	0.0	-76.64	405.09	4.87	-71.77
CC(C)[NH+]1CCC(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030119603	0	60	0.0	-73.22	433.09	5.92	-67.30
C[NH+]1CCC(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030119621	0	54	0.0	-76.13	398.78	4.73	-71.40
CC(C)[C@H](C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030119639	0	56	0.0	-69.73	400.06	4.63	-65.10
CCC(C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](CC)CC	REAL300030119670	0	59	0.0	-63.54	421.56	5.46	-58.08
CC[N@H+](C)CCC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030119726	0	53	0.0	-70.84	394.29	4.28	-66.56
CC[N@@H+](C)CCC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030119726	1	53	0.0	-71.05	394.29	4.29	-66.76
CC1CCC[N@@H+]1CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030119782	0	54	0.0	-66.61	394.68	4.50	-62.11
CC1CCC[N@H+]1CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030119782	1	54	0.0	-67.03	399.81	4.83	-62.20
CC1CC[N@H+](CC(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030119784	0	54	0.0	-67.59	400.22	4.81	-62.78
CC1CC[N@@H+](CC(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030119784	1	54	0.0	-69.10	401.35	4.87	-64.23
CC1(C)CC[N@H+](CC(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030119788	0	57	0.0	-67.91	420.70	5.39	-62.52
CC1(C)CC[N@@H+](CC(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030119788	1	57	0.0	-69.14	421.54	5.37	-63.77
C[N@H+](CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300030119789	0	59	0.0	-68.97	423.00	5.53	-63.44
C[N@@H+](CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300030119789	1	59	0.0	-68.09	425.62	5.70	-62.39
CC[C@@H](C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030119797	0	53	0.0	-65.75	390.15	4.69	-61.06
C[NH+]1CCC(O)(CC(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030119954	0	58	0.0	-74.63	426.19	3.46	-71.17
C[NH+](C)CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030119966	0	47	0.0	-69.19	354.19	3.07	-66.12
O=C(C[NH+]1CCC(CO)CC1)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030119970	1	58	0.0	-72.11	427.59	2.24	-69.87
O=C(C[NH+]1CCCCCC1)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030119971	0	57	0.0	-67.08	405.51	5.11	-61.97
CN1C=C[N+](CC(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030119975	0	49	0.0	-68.27	385.42	6.57	-61.70
C[N@@H+]1CCCC(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030119982	0	54	0.0	-65.60	392.75	4.88	-60.72
C[N@H+]1CCCC(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030119982	1	54	0.0	-65.57	393.89	4.96	-60.61
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC[N@@H+]1C1CC1	REAL300030119987	0	55	0.0	-64.90	413.52	5.60	-59.30
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC[N@H+]1C1CC1	REAL300030119987	1	55	0.0	-69.04	406.01	4.99	-64.05
CC(C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC1	REAL300030120014	1	51	0.0	-65.82	382.38	4.17	-61.65
CCC(CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300030120019	0	59	0.0	-71.95	425.45	5.57	-66.38
C[NH+](C)CC(C)(C)C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120026	0	56	0.0	-70.91	402.60	4.80	-66.11
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CC(C1)C[N@@H+]2C1CC1	REAL300030120043	0	56	0.0	-66.83	406.24	5.40	-61.43
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CC(C1)C[N@H+]2C1CC1	REAL300030120043	1	56	0.0	-66.95	407.82	6.19	-60.76
O=C(C[NH+]1CCC(O)CC1)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120051	1	55	0.0	-71.35	407.01	1.59	-69.76
C[N@H+](CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300030120052	0	51	0.0	-66.66	383.59	4.48	-62.18
C[N@@H+](CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300030120052	1	51	0.0	-66.03	383.60	4.47	-61.56
CC(C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)N1CC[NH+](C)CC1	REAL300030120053	1	59	0.0	-69.46	425.13	2.86	-66.60
C[NH+]1CC(CC(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030120071	0	51	0.0	-69.55	385.63	3.89	-65.66
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC[N@@H+]1C1CCCC1	REAL300030120075	0	58	0.0	-68.50	422.02	5.59	-62.91
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC[N@H+]1C1CCCC1	REAL300030120075	1	58	0.0	-68.37	420.28	5.55	-62.82
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120083	0	57	0.0	-67.45	400.51	4.25	-63.20
CC(C)(C)[N@H+]1CCC1C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120083	1	57	0.0	-69.10	397.96	4.58	-64.52
C[C@@H](C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030120094	0	50	0.0	-65.65	372.45	3.48	-62.17
CCC1CCC[N@H+](CC(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030120133	0	60	0.0	-66.31	427.69	5.73	-60.58
CCC1CCC[N@@H+](CC(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030120133	1	60	0.0	-68.58	427.70	5.74	-62.84
C[NH+](C)CC1=CC=C(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300030120140	0	55	0.0	-82.24	420.81	4.47	-77.77
[NH2+]=C1SC=CN1CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120181	0	47	0.0	-66.58	381.27	3.25	-63.33
C[N@H+](CCO)CCC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120191	0	54	0.0	-71.73	404.64	1.04	-70.69
C[N@@H+](CCO)CCC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120191	1	54	0.0	-70.04	404.73	1.04	-69.00
C[C@@H](C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030120192	0	50	0.0	-65.65	372.45	3.48	-62.17
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120196	0	54	0.0	-66.44	387.05	4.47	-61.97
C[N@H+]1CCCC[C@@H]1C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120196	1	54	0.0	-64.01	396.90	4.61	-59.40
CC1CN2CC[N@@H+]1CC2C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120204	0	57	0.0	-79.00	407.15	2.03	-76.97
CC1CN2CC[N@H+]1CC2C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120204	1	57	0.0	-68.03	407.36	2.01	-66.02
O=C(CC1=CC2=C[NH+]=CN2C=C1)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120246	0	52	0.0	-71.32	408.59	7.25	-64.07
C[N@H+](CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCSC1	REAL300030120269	0	55	0.0	-75.36	413.68	5.30	-70.06
C[N@@H+](CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCSC1	REAL300030120269	1	55	0.0	-72.08	413.46	5.33	-66.75
O=C(C[NH+]1CCC1)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120270	1	48	0.0	-69.30	364.29	3.47	-65.83
C[N@@H+]1CCC(=CC(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030120300	0	52	0.0	-75.40	392.48	4.58	-70.82
C[N@H+]1CCC(=CC(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030120300	1	52	0.0	-75.09	393.72	4.70	-70.39
C[NH+](C)CCOCC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120333	0	54	0.0	-72.53	410.08	4.12	-68.41
CCCCC[N@H+](C)CCC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120339	0	62	0.0	-72.35	458.78	6.59	-65.76
CCCCC[N@@H+](C)CCC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120339	1	62	0.0	-72.56	458.78	6.57	-65.99
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300030120348	0	58	0.0	-73.07	431.34	5.30	-67.77
C=CCC(C)(C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030120355	0	57	0.0	-66.55	407.43	5.00	-61.55
C[S+](C)CCC(O)C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120360	0	53	0.0	-68.22	419.05	2.73	-65.49
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120385	0	55	0.0	-73.03	400.57	1.23	-71.80
CN1CC[N@H+](C)CC(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030120395	0	59	0.0	-69.21	424.38	3.22	-65.99
CN1CC[N@@H+](C)CC(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030120395	1	59	0.0	-69.21	424.38	3.22	-65.99
CC(C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[N@@H+]1CCCC(O)C1	REAL300030120396	0	58	0.0	-65.69	424.57	2.24	-63.45
O=C(CN1CCC(CO)CC1)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120405	0	58	0.0	-72.11	427.59	2.24	-69.87
O=C(C[NH+]1CCC(CO)CC1)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120405	1	58	0.0	-72.11	427.59	2.24	-69.87
C[N@@H+]1CCCC(O)(CC(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030120414	0	58	0.0	-63.32	424.72	3.41	-59.91
C[N@H+]1CCCC(O)(CC(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030120414	1	58	0.0	-63.32	424.72	3.41	-59.91
CC1CN(CC(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030120417	0	51	0.0	-68.81	384.27	4.23	-64.58
CC1C[NH+](CC(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030120417	1	51	0.0	-68.81	384.27	4.23	-64.58
CN(CCO)CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120443	0	51	0.0	-68.57	382.27	0.50	-68.07
C[N@H+](CCO)CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120443	1	51	0.0	-69.57	382.12	0.50	-69.07
C[N@@H+](CCO)CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120443	1	51	0.0	-69.57	382.12	0.50	-69.07
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1C[N@@H+]2CCN1CCC2	REAL300030120465	0	57	0.0	-69.68	403.84	2.85	-66.83
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1C[N@H+]2CCN1CCC2	REAL300030120465	1	57	0.0	-69.68	403.84	2.85	-66.83
CC[N@@H+]1CCCC(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030120471	0	57	0.0	-69.23	416.87	5.32	-63.91
CC[N@H+]1CCCC(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030120471	1	57	0.0	-69.23	416.87	5.32	-63.91
CC(CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300030120473	0	56	0.0	-71.98	411.39	5.07	-66.91
CC[N@H+](C)CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120484	0	50	0.0	-68.23	371.92	3.73	-64.50
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CCC[N@@H+]1CCCC2	REAL300030120508	0	58	0.0	-64.42	409.06	5.60	-58.82
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CCC[N@H+]1CCCC2	REAL300030120508	1	58	0.0	-64.42	409.06	5.60	-58.82
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CCC[N@@H+]1CC=CC2	REAL300030120513	0	56	0.0	-71.96	400.80	5.55	-66.41
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CCC[N@H+]1CC=CC2	REAL300030120513	1	56	0.0	-71.96	400.80	5.55	-66.41
CC[N@H+](CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300030120533	0	54	0.0	-65.14	400.84	4.85	-60.29
CC[NH+](CC)CCC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120549	0	56	0.0	-70.73	408.95	4.74	-65.99
CC1(C)CN(CC(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030120572	0	54	0.0	-69.01	404.59	4.63	-64.38
CC1(C)C[NH+](CC(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030120572	1	54	0.0	-69.01	404.59	4.63	-64.38
CC1(O)CC[N@H+](CC(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030120597	0	55	0.0	-68.46	411.94	1.52	-66.94
C[NH+](C)CC=CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120604	0	51	0.0	-73.52	391.42	4.31	-69.21
CC(OCC[NH+](C)C)C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120625	0	57	0.0	-71.98	429.85	4.80	-67.18
C[NH+](C)CCOCCC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120633	0	57	0.0	-70.41	431.01	3.86	-66.55
COCCN(C)CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120634	0	54	0.0	-69.78	404.37	2.91	-66.87
COCC[N@H+](C)CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120634	1	54	0.0	-68.58	404.52	2.90	-65.68
COCC[N@@H+](C)CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120634	1	54	0.0	-68.58	404.52	2.90	-65.68
C[NH+](C)C1(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCCC1	REAL300030120667	0	57	0.0	-63.12	402.73	5.22	-57.90
CC(CCC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030120670	0	56	0.0	-71.35	413.16	4.85	-66.50
CCN1CCC1C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120677	0	51	0.0	-67.84	379.74	3.81	-64.03
CC[N@@H+]1CCC1C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120677	1	51	0.0	-68.37	387.28	4.15	-64.22
CC[N@H+]1CCC1C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120677	1	51	0.0	-68.37	387.28	4.15	-64.22
CC(C)[N@@H+]1CCCC(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030120687	0	60	0.0	-67.58	433.11	5.86	-61.72
CC(C)[N@H+]1CCCC(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030120687	1	60	0.0	-67.58	433.11	5.86	-61.72
O=C(C[N@H+]1CCCC1CO)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120700	0	55	0.0	-68.12	405.31	1.21	-66.91
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2CCCC[N@@H+]2C1	REAL300030120722	0	58	0.0	-67.88	421.67	5.81	-62.07
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2CCCC[N@H+]2C1	REAL300030120722	1	58	0.0	-67.88	421.67	5.81	-62.07
C[NH+]1CCC(C)(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030120728	0	57	0.0	-62.34	411.46	5.15	-57.19
C=CCC(C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030120756	0	54	0.0	-67.36	399.03	4.67	-62.69
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120766	0	57	0.0	-68.17	419.91	5.27	-62.90
C[NH+](C)CCCCCC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120770	0	59	0.0	-73.98	441.05	5.98	-68.00
CC1C[N@@H+]2CCN1C(C(=O)NCC1CCCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300030120804	0	57	0.0	-80.42	408.59	2.21	-78.21
CCCC(C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030120805	0	56	0.0	-65.01	407.39	4.88	-60.13
C[NH+](C)C(C)(C)C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120809	0	53	0.0	-74.69	383.73	4.13	-70.56
C[N@@H+]1CCCCC1C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120847	0	54	0.0	-68.17	396.30	4.65	-63.52
C[N@H+]1CCCCC1C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120847	1	54	0.0	-69.32	387.28	4.46	-64.86
C[N@H+]1CC=C(CC(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030120880	0	55	0.0	-71.03	414.78	5.46	-65.57
C[N@@H+]1CC=C(CC(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030120880	1	55	0.0	-69.41	414.78	5.46	-63.95
O=C(CC1([NH+]2CCCC2)CC1)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120889	0	58	0.0	-67.06	418.98	5.74	-61.32
C[NH+](C)CC1=CC=C(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300030120933	1	54	0.0	-78.70	417.68	4.77	-73.93
O=C(C=CC[NH+]1CCCC1)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120949	0	55	0.0	-72.59	416.49	5.48	-67.11
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC[NH+](C2CC2)CC1	REAL300030120970	0	58	0.0	-69.55	428.05	6.13	-63.42
C[NH+](C)C1(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030120989	0	51	0.0	-68.59	382.28	3.74	-64.85
O=C(CC[NH+]1CCCC1)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120991	0	54	0.0	-70.34	402.53	4.80	-65.54
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1C[NH+]2CCN1CC2	REAL300030121025	0	54	0.0	-80.07	391.89	1.59	-78.48
C[N@@H+]1CC2CC1(C(=O)NCC1CCCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300030121035	0	52	0.0	-68.10	386.39	4.21	-63.89
C[N@H+]1CC2CC1(C(=O)NCC1CCCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300030121035	1	52	0.0	-75.02	385.10	4.32	-70.70
O=C(C[N@@H+]1CC2CCC1C2)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030121047	0	55	0.0	-67.19	399.37	5.02	-62.17
O=C(C[N@H+]1CC2CCC1C2)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030121047	1	55	0.0	-67.51	398.96	4.96	-62.55
O=C(C=C1C[NH+]2CCC1CC2)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030121088	0	56	0.0	-67.66	410.33	5.45	-62.21
O=C(C[N@@H+]1CC2C=CC1C2)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030121098	1	53	0.0	-66.78	393.48	5.02	-61.76
O=C(C[N@H+]1CC2C=CC1C2)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030121098	1	53	0.0	-65.33	393.87	4.92	-60.41
CC[NH+]1CCN(CC(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030121129	0	59	0.0	-68.89	431.77	3.27	-65.62
CC(C[NH+](C)C)C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030121146	0	53	0.0	-70.41	392.59	4.34	-66.07
C[N@@H+]1CCCCC1CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030121216	0	57	0.0	-66.07	407.73	5.17	-60.90
C[N@H+]1CCCCC1CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030121216	1	57	0.0	-71.57	413.79	5.26	-66.31
CC1=C2C=C(C(=O)NCC3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300030121232	1	52	0.0	-74.29	406.54	7.14	-67.15
CC(C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CC(C)C1	REAL300030121233	1	54	0.0	-65.29	401.82	4.80	-60.49
CC1CC[N@@H+]1CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030121236	1	51	0.0	-67.80	380.38	3.85	-63.95
CC1CC[N@H+]1CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030121236	1	51	0.0	-66.93	385.53	4.15	-62.78
C[NH+](C)CC(O)CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030121240	0	54	0.0	-75.13	406.84	2.10	-73.03
CC1C[N@H+](C)CC(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300030121267	1	55	0.0	-77.32	406.92	3.89	-73.43
CC1C[N@@H+](C)CC(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300030121267	1	55	0.0	-84.91	407.26	3.88	-81.03
O=C(CC[NH+]1CCC(O)CC1)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030121276	0	58	0.0	-74.02	429.28	2.15	-71.87
CCC[N@@H+]1CCCCC1C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030121278	0	60	0.0	-65.34	426.07	5.89	-59.45
CCC[N@H+]1CCCCC1C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030121278	1	60	0.0	-63.00	435.71	6.03	-56.97
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030121348	0	54	0.0	-68.53	404.20	4.79	-63.74
CC(CC[NH+](C)C)C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030121356	0	56	0.0	-72.73	414.23	4.97	-67.76
C[N@H+](CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CCC[C@H]1O	REAL300030121376	0	58	0.0	-67.38	426.96	2.32	-65.06
C[N@@H+](CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CCC[C@H]1O	REAL300030121376	1	58	0.0	-67.19	426.75	2.50	-64.69
C#CC[N@H+]1CCCCC1C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030121382	1	56	0.0	-67.56	412.20	5.70	-61.86
C#CC[N@@H+]1CCCCC1C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030121382	1	56	0.0	-67.90	414.06	5.69	-62.21
C[NH+]1CCN(CC(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030121385	1	56	0.0	-70.12	413.21	2.57	-67.55
CC[NH+]1CCN(CC(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030121394	0	59	0.0	-68.89	431.77	3.27	-65.62
NC(=[NH2+])SCC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030121418	0	45	0.0	-71.80	362.73	-0.06	-71.86
CC[N@@H+]1CCOCC1CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030121453	0	58	0.0	-72.99	422.68	3.52	-69.47
C[NH+](C)C1CCC(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030121468	0	60	0.0	-72.92	426.48	5.74	-67.18
C[NH+](C)CCC1(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030121469	0	57	0.0	-64.72	431.00	5.67	-59.05
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030121471	0	60	0.0	-59.36	426.48	5.74	-53.62
C[N@@H+]1CC=CCC1CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030121472	0	55	0.0	-74.44	407.17	5.16	-69.28
C[N@H+]1CC=CCC1CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030121472	1	55	0.0	-74.44	407.17	5.16	-69.28
C[C@@H](OCC[NH+](C)C)C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030121493	0	57	0.0	-71.98	429.85	4.80	-67.18
C[NH+]1C2CCC1CC(C(=O)NCC1CCCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300030121519	0	58	0.0	-71.07	398.53	5.67	-65.40
CC(C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCSCC1	REAL300030121625	1	55	0.0	-70.18	413.79	5.05	-65.13
CCC1C[NH+](CC(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030121627	1	54	0.0	-69.58	406.83	4.93	-64.65
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1([NH+]2CCCC2)CCC1	REAL300030121629	0	58	0.0	-69.61	416.29	5.56	-64.05
C[N@H+]1CCC[C@H]1C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030121638	1	51	0.0	-65.72	374.56	3.58	-62.14
O=C(CC[N@@H+]1CCC(F)C1)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030121645	1	54	0.0	-74.67	408.40	4.88	-69.79
COC1C[N@@H+](C)C(C)(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030121653	1	58	0.0	-66.65	424.55	3.52	-63.13
O=C(CC[NH+]1CCCCCC1)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030121661	0	60	0.0	-71.46	429.80	5.79	-65.67
O=C(C[NH+]1CCCCC1)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030121663	0	54	0.0	-67.93	395.91	4.95	-62.98
CC1C(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300030121673	0	54	0.0	-71.72	400.70	4.47	-67.25
CC1C(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300030121673	1	54	0.0	-73.62	396.73	4.54	-69.08
C[N@@H+]1CCCCC1CCC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030121675	0	60	0.0	-69.15	435.42	5.98	-63.17
C[N@H+]1CCCCC1CCC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030121675	1	60	0.0	-69.48	436.24	6.03	-63.45
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC[N@@H+]2CCOCC12	REAL300030121703	0	56	0.0	-74.85	413.16	3.34	-71.51
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC[N@H+]2CCOCC12	REAL300030121703	1	56	0.0	-71.97	410.46	3.36	-68.61
CC1=[NH+]C=C2C=CC(C(=O)NCC3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3)=CN21	REAL300030121708	0	52	0.0	-68.37	405.78	6.34	-62.03
CN1CCOCC1CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030121722	0	55	0.0	-63.56	399.11	2.79	-60.77
C[N@@H+]1CCOCC1CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030121722	1	55	0.0	-62.67	397.53	2.73	-59.94
C[N@H+]1CCOCC1CC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030121722	1	55	0.0	-63.56	399.11	2.79	-60.77
CC1=C(C)[NH+]=C(CCC(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300030121730	1	55	0.0	-65.48	424.42	4.36	-61.12
C[N@@H+]1CCCC1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030121900	0	51	0.0	-71.05	377.85	3.71	-67.34
C[N@H+]1CCCC1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030121900	1	51	0.0	-68.94	382.20	4.06	-64.88
C[N@@H+]1CCOC(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030121926	1	52	0.0	-77.49	385.05	3.25	-74.24
C[N@H+]1CCOC(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030121926	1	52	0.0	-86.21	391.61	3.46	-82.75
CC1=[NH+]C=CN1CCCC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030122086	1	55	0.0	-70.65	430.55	6.17	-64.48
O=C(CC[NH+]1CCOCC1)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030122091	1	55	0.0	-76.98	414.45	3.30	-73.68
O=C(NCC1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1)C1=CC(=O)[N-]O1	REAL300030122116	0	55	0.0	-67.26	392.88	4.39	-62.87
O=C(NCC1CCCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC1)C1=CC(=O)[N-]O1	REAL300030122125	1	49	0.0	-68.99	382.43	6.24	-62.75
C[NH+](C)C1CCCC(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030122179	0	60	0.0	-72.06	433.74	5.76	-66.30
C[N@@H+]1CCC(CC(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030122182	0	54	0.0	-75.36	405.88	4.87	-70.49
C[N@H+]1CCC(CC(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030122182	1	54	0.0	-76.01	405.66	4.88	-71.13
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030122194	0	53	0.0	-80.59	413.36	3.02	-77.57
CCC(C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030122199	0	53	0.0	-70.78	386.78	4.21	-66.57
C[NH+](C)CCCCC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030122261	0	56	0.0	-75.56	424.57	5.42	-70.14
CC(C)C(C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030122283	0	56	0.0	-70.31	402.48	5.04	-65.27
CCC[N@H+](C)CCC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030122285	0	56	0.0	-75.26	421.16	5.23	-70.03
CCC[N@@H+](C)CCC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030122285	1	56	0.0	-75.21	420.80	5.24	-69.97
CCC[N@H+](C)CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030122290	0	53	0.0	-72.17	398.79	4.63	-67.54
CCC[N@@H+](C)CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030122290	1	53	0.0	-72.06	398.44	4.65	-67.41
O=C(NCC1CCCN(C(=O)C23CC[N@H+](C2)CCC3)CC1)C1=CC(=O)[N-]O1	REAL300030122313	0	55	0.0	-81.51	392.13	4.04	-77.47
O=C(NCC1CCCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1)C1=CC(=O)[N-]O1	REAL300030122313	1	55	0.0	-74.44	392.09	4.07	-70.37
CCCCCC[N@H+](C)CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030122345	0	62	0.0	-73.41	463.29	6.98	-66.43
CCCCCC[N@@H+](C)CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030122345	1	62	0.0	-73.35	462.93	6.99	-66.36
CC[NH+](CC)C(C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1)C(C)C	REAL300030122349	0	62	0.0	-68.83	427.97	6.06	-62.77
CC1CC[NH+](CC(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030122381	0	57	0.0	-72.65	422.16	5.70	-66.95
C[NH+]1CCC(OCC(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030122407	0	58	0.0	-80.00	439.49	5.37	-74.63
O=C(NCC1CCCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC1)C1=CC(=O)[N-]O1	REAL300030122449	0	58	0.0	-71.52	423.85	5.74	-65.78
O=C(NCC1CCCN(C(=O)C2CC3CCCC[N@H+]3C2)CC1)C1=CC(=O)[N-]O1	REAL300030122449	1	58	0.0	-69.40	426.05	5.90	-63.50
C[NH+](C)CC1(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030122460	0	54	0.0	-75.52	406.79	4.74	-70.78
CC(C)[NH+]1CCC(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030122471	0	60	0.0	-74.91	435.27	5.87	-69.04
CC[N@H+](C)CCC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030122492	0	53	0.0	-74.42	399.71	4.49	-69.93
CC[N@@H+](C)CCC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030122492	1	53	0.0	-74.40	399.31	4.50	-69.90
CC(C)(C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCCC1	REAL300030122518	0	60	0.0	-69.11	418.22	5.50	-63.61
O=C(NCC1CCCN(C(=O)C2C[NH+]3CCC2CC3)CC1)C1=CC(=O)[N-]O1	REAL300030122526	0	55	0.0	-80.59	396.87	4.72	-75.87
C[NH+]1CCC(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030122601	0	54	0.0	-78.73	399.06	4.64	-74.09
CC(C)[C@H](C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030122619	0	56	0.0	-70.20	401.65	4.98	-65.22
CC[NH+](CC)CC(F)C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030122705	0	56	0.0	-64.61	418.91	5.09	-59.52
CC(C)C[N@@H+]1CCC(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030122737	0	60	0.0	-73.30	441.17	6.02	-67.28
CC(C)C[N@H+]1CCC(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030122737	1	60	0.0	-73.92	441.93	6.00	-67.92
C[NH+](C)C1(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300030122741	0	54	0.0	-76.43	390.61	4.19	-72.24
CCC(C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](CC)CC	REAL300030122772	0	59	0.0	-67.94	420.02	5.34	-62.60
CC1CCC[N@@H+]1CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030122792	0	54	0.0	-68.63	398.31	4.61	-64.02
CC1CCC[N@H+]1CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030122792	1	54	0.0	-68.53	397.93	4.61	-63.92
CC(C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCCCC1	REAL300030122847	0	60	0.0	-67.80	426.04	5.64	-62.16
CC(C)[N@@H+]1CCCCC1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030122849	0	60	0.0	-65.27	429.86	5.70	-59.57
CC(C)[N@H+]1CCCCC1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030122849	1	60	0.0	-66.10	422.32	5.43	-60.67
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030122870	0	57	0.0	-68.41	396.87	4.53	-63.88
CC(C)[N@H+]1CCCC1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030122870	1	57	0.0	-60.74	412.93	4.94	-55.80
CC(C)[N@@H+]1CCCC1CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030122876	0	60	0.0	-64.70	427.41	5.35	-59.35
CC(C)[N@H+]1CCCC1CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030122876	1	60	0.0	-65.97	430.10	5.40	-60.57
CC(C)[C@@H](C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030122889	0	56	0.0	-68.05	403.64	4.77	-63.28
CC1CC[N@H+](CC(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030122909	0	54	0.0	-71.45	405.76	4.95	-66.50
CC1CC[N@@H+](CC(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030122909	1	54	0.0	-70.98	405.01	4.91	-66.07
CC1(C)CC[N@H+](CC(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030122913	0	57	0.0	-71.59	424.82	5.44	-66.15
CC1(C)CC[N@@H+](CC(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030122913	1	57	0.0	-71.16	424.59	5.46	-65.70
C[N@H+](CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300030122914	0	59	0.0	-71.99	429.20	5.70	-66.29
C[N@@H+](CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300030122914	1	59	0.0	-71.63	429.34	5.79	-65.84
CC[C@@H](C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030122922	0	53	0.0	-68.26	382.84	4.04	-64.22
CC1=[NH+]C=CN1CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030123112	1	49	0.0	-68.48	388.64	4.83	-63.65
CC(C[NH+]1CCOCC1)C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030123113	0	58	0.0	-75.72	429.63	3.80	-71.92
O=C(CCC[NH+]1CCCCC1)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030123129	0	60	0.0	-73.76	445.07	6.49	-67.27
C[NH+](C)CC1=CC(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)=NO1	REAL300030123144	1	53	0.0	-72.15	412.22	4.61	-67.54
CC1=C(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C=CC2=C[NH+]=CN21	REAL300030123145	0	52	0.0	-76.11	412.33	6.95	-69.16
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030123179	1	55	0.0	-67.00	425.32	5.95	-61.05
O=C(NCC1CCCN(C(=O)C2CCCC3CCC[N@@H+]32)CC1)C1=CC(=O)[N-]O1	REAL300030123210	0	58	0.0	-64.96	418.74	5.77	-59.19
O=C(NCC1CCCN(C(=O)C2CCCC3CCC[N@H+]32)CC1)C1=CC(=O)[N-]O1	REAL300030123210	1	58	0.0	-67.91	412.18	5.33	-62.58
CC[N@@H+]1CCOC(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030123227	1	55	0.0	-81.78	408.57	4.09	-77.69
CC[N@H+]1CCOC(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030123227	1	55	0.0	-81.86	411.34	4.13	-77.73
O=C(NCC1CCCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC1)C1=CC(=O)[N-]O1	REAL300030123278	0	49	0.0	-77.29	394.28	6.59	-70.70
CC1=C[NH+]=CN1CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030123283	1	49	0.0	-70.52	388.97	5.56	-64.96
C[C@@H]1[C@H](C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300030123297	0	54	0.0	-73.53	391.22	4.11	-69.42
C[C@@H]1[C@H](C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300030123297	1	54	0.0	-74.73	398.13	4.99	-69.74
CC[C@@H]1[C@@H](C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300030123301	0	57	0.0	-73.84	415.42	4.78	-69.06
CC[C@@H]1[C@@H](C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300030123301	1	57	0.0	-73.47	422.51	5.16	-68.31
CC1CCC(C)[NH+]1CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030123312	0	57	0.0	-68.36	416.21	5.26	-63.10
O=C(CCC[NH+]1CCCC1)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030123318	0	57	0.0	-73.30	428.94	5.78	-67.52
C#CC[NH+]1CCC(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030123324	0	56	0.0	-79.04	424.23	5.82	-73.22
O=C(CC[NH+]1CCCCC1)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030123325	0	57	0.0	-73.70	423.58	5.70	-68.00
CC[N@@H+]1CCCCC1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030123332	0	57	0.0	-67.99	406.10	4.94	-63.05
CC[N@H+]1CCCCC1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030123332	1	57	0.0	-68.52	404.34	4.83	-63.69
C[NH+](C)C1(CC(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)CCCC1	REAL300030123372	0	60	0.0	-76.16	423.03	5.73	-70.43
C[N@H+](CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300030123513	0	54	0.0	-69.79	405.43	5.22	-64.57
C[N@@H+](CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300030123513	1	54	0.0	-69.96	405.70	5.18	-64.78
CC(C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1C(C)CCC1C	REAL300030123535	0	60	0.0	-69.98	427.26	5.88	-64.10
O=C(CCCC[NH+]1CCCC1)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030123547	0	60	0.0	-74.09	450.52	6.59	-67.50
C[NH+]1CCC(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030123558	0	54	0.0	-78.73	399.06	4.64	-74.09
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030123599	0	51	0.0	-70.62	376.75	3.72	-66.90
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030123599	1	51	0.0	-68.93	381.98	4.06	-64.87
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030123622	1	53	0.0	-69.03	404.63	4.97	-64.06
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030123622	1	53	0.0	-70.18	410.81	5.37	-64.81
C[N@@H+]1CCCC1CCC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030123628	0	57	0.0	-76.66	426.81	5.78	-70.88
C[N@H+]1CCCC1CCC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030123628	1	57	0.0	-72.16	421.50	5.28	-66.88
O=C(NCC1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1)C1=CC(=O)[N-]O1	REAL300030123637	0	58	0.0	-73.19	406.02	4.82	-68.37
O=C(NCC1CCCN(C(=O)C2CCC3CCCC[N@@H+]32)CC1)C1=CC(=O)[N-]O1	REAL300030123640	0	58	0.0	-68.73	418.93	5.66	-63.07
O=C(NCC1CCCN(C(=O)C2CCC3CCCC[N@H+]32)CC1)C1=CC(=O)[N-]O1	REAL300030123640	1	58	0.0	-67.68	425.49	6.02	-61.66
CCC[N@@H+]1CCCC(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030123709	0	60	0.0	-73.31	439.86	6.08	-67.23
CCC[N@H+]1CCCC(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030123709	1	60	0.0	-65.81	432.45	6.13	-59.68
CC(C)[N@@H+]1CCOC(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030123724	1	58	0.0	-79.56	425.57	4.59	-74.97
CC(C)[N@H+]1CCOC(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030123724	1	58	0.0	-74.22	419.67	4.41	-69.81
C[N@@H+]1CCCCC1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030123747	0	54	0.0	-67.57	398.78	4.73	-62.84
C[N@H+]1CCCCC1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030123747	1	54	0.0	-67.52	398.80	4.77	-62.75
CC(C)C[N@@H+]1CCCC1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030123770	0	60	0.0	-69.17	439.68	6.19	-62.98
CC(C)C[N@H+]1CCCC1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030123770	1	60	0.0	-68.84	438.73	6.10	-62.74
O=C(C[NH+]1CCC(CO)CC1)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030123785	0	58	0.0	-73.63	432.99	2.39	-71.24
CC1C(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300030123828	0	54	0.0	-74.78	398.26	4.88	-69.90
CC1C(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300030123828	1	54	0.0	-74.71	397.71	4.67	-70.04
C[N@@H+]1CCCCC1CCC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030123830	0	60	0.0	-76.84	433.56	6.01	-70.83
C[N@H+]1CCCCC1CCC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030123830	1	60	0.0	-77.47	433.56	5.98	-71.49
NC1=[NH+]C2=C(C=C1C(=O)N1CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC1)CCC2	REAL300030123861	1	54	0.0	-64.45	414.97	3.97	-60.48
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030123919	0	57	0.0	-69.41	420.20	4.88	-64.53
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030123919	1	57	0.0	-69.28	420.60	4.91	-64.37
C[C@@H](C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030123937	0	50	0.0	-69.80	373.79	3.55	-66.25
C=CCC(C)(C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030123954	0	57	0.0	-65.57	404.64	4.71	-60.86
O=C(CC[NH+]1CCCC1)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030123976	0	54	0.0	-73.79	407.91	4.99	-68.80
C[N@H+](CCO)CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030123986	1	51	0.0	-72.57	387.29	0.67	-71.90
C[N@@H+](CCO)CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030123986	1	51	0.0	-72.74	387.44	0.63	-72.11
O=C(NCC1CCCN(C(=O)C2C[N@@H+]3CCN2CCC3)CC1)C1=CC(=O)[N-]O1	REAL300030124022	0	57	0.0	-81.20	399.70	2.46	-78.74
O=C(NCC1CCCN(C(=O)C2C[N@H+]3CCN2CCC3)CC1)C1=CC(=O)[N-]O1	REAL300030124022	1	57	0.0	-83.92	402.00	2.60	-81.32
CC(C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCSCC1	REAL300030124043	1	55	0.0	-72.64	416.00	5.09	-67.55
C[N@H+]1CC=C(CC(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030124075	0	55	0.0	-70.77	418.74	5.59	-65.18
C[N@@H+]1CC=C(CC(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030124075	1	55	0.0	-68.78	418.74	5.59	-63.19
C[S+](C)CCC(O)C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124090	0	53	0.0	-81.41	419.41	2.65	-78.76
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124108	0	55	0.0	-68.28	396.89	0.49	-67.79
C[N@H+]1CC(O)CC1(C)C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124108	1	55	0.0	-68.10	396.74	0.64	-67.46
CN1CC[N@H+](C)CC(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030124118	0	59	0.0	-69.75	425.62	3.13	-66.62
CN1CC[N@@H+](C)CC(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030124118	1	59	0.0	-70.89	428.88	3.06	-67.83
CC(C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1)[N@@H+]1CCCC(O)C1	REAL300030124119	0	58	0.0	-71.47	427.92	2.07	-69.40
CC(C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1)[N@H+]1CCCC(O)C1	REAL300030124119	1	58	0.0	-68.29	427.32	2.03	-66.26
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124146	0	54	0.0	-71.19	415.33	3.89	-67.30
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030124152	0	58	0.0	-66.89	419.84	3.39	-63.50
C[N@H+]1CCCC(O)(CC(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030124152	1	58	0.0	-72.35	417.31	3.51	-68.84
CC1C[NH+](CC(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030124157	1	51	0.0	-72.85	389.33	4.38	-68.47
CC[N@@H+]1CCCC(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030124164	0	57	0.0	-73.07	420.44	5.40	-67.67
CC[N@H+]1CCCC(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030124164	1	57	0.0	-65.34	410.58	5.41	-59.93
NC1=[NH+]C=CC=C1CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124170	0	50	0.0	-68.04	393.82	3.05	-64.99
O=C(NCC1CCCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300030124182	0	55	0.0	-67.37	408.88	5.42	-61.95
O=C(NCC1CCCN(C(=O)C2CCC[N@H+]2C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300030124182	1	55	0.0	-67.31	404.33	5.27	-62.04
O=C(C=CC[NH+]1CCCC1)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124224	0	55	0.0	-68.75	420.34	5.67	-63.08
O=C(NCC1CCCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1)C1=CC(=O)[N-]O1	REAL300030124245	0	58	0.0	-75.96	423.88	5.82	-70.14
CC[N@H+](C)CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124288	0	50	0.0	-71.70	376.94	3.91	-67.79
O=C(CN1CC2C=CC1C2)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124339	0	53	0.0	-70.33	398.77	5.19	-65.14
O=C(C[N@@H+]1CC2C=CC1C2)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124339	1	53	0.0	-70.47	399.04	5.22	-65.25
O=C(C[N@H+]1CC2C=CC1C2)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124339	1	53	0.0	-70.47	399.04	5.22	-65.25
O=C(NCC1CCCN(C(=O)C23CCC[N@@H+]2CCCC3)CC1)C1=CC(=O)[N-]O1	REAL300030124458	0	58	0.0	-66.82	405.22	4.91	-61.91
O=C(NCC1CCCN(C(=O)C23CCC[N@H+]2CCCC3)CC1)C1=CC(=O)[N-]O1	REAL300030124458	1	58	0.0	-66.82	405.22	4.91	-61.91
O=C(NCC1CCCN(C(=O)C23CCC[N@@H+]2CC=CC3)CC1)C1=CC(=O)[N-]O1	REAL300030124465	0	56	0.0	-66.60	399.36	4.72	-61.88
O=C(NCC1CCCN(C(=O)C23CCC[N@H+]2CC=CC3)CC1)C1=CC(=O)[N-]O1	REAL300030124465	1	56	0.0	-66.60	399.36	4.72	-61.88
CC(OCC[NH+](C)C)C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124475	0	57	0.0	-73.40	429.40	4.75	-68.65
C[NH+](C)CCOCCC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124484	0	57	0.0	-73.08	436.03	4.07	-69.01
COCCN(C)CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124486	0	54	0.0	-72.60	409.68	3.04	-69.56
COCC[N@H+](C)CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124486	1	54	0.0	-72.80	409.54	3.07	-69.73
COCC[N@@H+](C)CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124486	1	54	0.0	-72.80	409.54	3.07	-69.73
CC(CCC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030124491	0	56	0.0	-77.61	412.84	5.02	-72.59
CC[N@H+](CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300030124516	0	54	0.0	-69.25	406.04	5.24	-64.01
CC1C[N@@H+]2CCN1C(C(=O)N1CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300030124531	0	57	0.0	-81.40	409.04	1.92	-79.48
C[N@@H+]1CC2CC1(C(=O)N1CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300030124554	0	52	0.0	-75.01	386.28	4.37	-70.64
CC1=NC(N)=CC=C1C=CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124563	0	54	0.0	-64.66	423.37	3.91	-60.75
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124563	1	54	0.0	-64.66	423.37	3.91	-60.75
O=C(C[N@@H+]1CC2CCC1C2)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124569	0	55	0.0	-70.17	405.98	5.32	-64.85
O=C(C[N@H+]1CC2CCC1C2)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124569	1	55	0.0	-70.17	405.98	5.32	-64.85
CC(C[NH+](C)C)C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124589	0	53	0.0	-75.04	396.35	4.34	-70.70
CCN1CCC1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124637	0	51	0.0	-70.55	380.35	3.79	-66.76
CC[N@@H+]1CCC1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124637	1	51	0.0	-71.72	390.66	4.18	-67.54
CC[N@H+]1CCC1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124637	1	51	0.0	-71.72	390.66	4.18	-67.54
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030124649	0	60	0.0	-64.94	427.40	5.90	-59.04
CC(C)[N@H+]1CCCC(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030124649	1	60	0.0	-64.94	427.40	5.90	-59.04
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124664	0	59	0.0	-70.23	422.37	3.81	-66.42
C#CCN1CCCCC1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124705	0	56	0.0	-68.68	422.27	5.92	-62.76
C#CC[N@H+]1CCCCC1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124705	1	56	0.0	-67.95	423.69	5.94	-62.01
C#CC[N@@H+]1CCCCC1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124705	1	56	0.0	-67.95	423.69	5.94	-62.01
CNC1=NC(C)=CC=C1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124706	0	53	0.0	-66.51	410.73	3.87	-62.64
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124706	1	53	0.0	-66.51	410.73	3.87	-62.64
CCCC(C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030124716	0	56	0.0	-71.57	408.29	4.96	-66.61
C[NH+](C)C(C)(C)C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124723	0	53	0.0	-75.63	379.39	4.18	-71.45
CC(CC[NH+](C)C)C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124741	0	56	0.0	-75.13	418.00	4.95	-70.18
O=C(NCC1CCCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300030124808	0	56	0.0	-72.43	416.35	5.70	-66.73
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124842	0	57	0.0	-68.73	421.62	5.22	-63.51
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124842	1	57	0.0	-68.73	421.62	5.22	-63.51
C[NH+](C)CCCCCC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124847	0	59	0.0	-74.68	446.07	6.19	-68.49
O=C(CC[NH+]1CCC(O)CC1)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124851	0	58	0.0	-77.39	434.66	2.35	-75.04
CCC[N@@H+]1CCCCC1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124855	0	60	0.0	-68.21	438.44	6.12	-62.09
CCC[N@H+]1CCCCC1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124855	1	60	0.0	-69.24	428.61	5.57	-63.67
C[NH+]1CCN(CC(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030124864	1	56	0.0	-71.71	418.22	2.71	-69.00
CC1C[N@H+](C)CC(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300030124957	1	55	0.0	-85.21	407.73	3.81	-81.40
CC1C[N@@H+](C)CC(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300030124957	1	55	0.0	-87.62	405.57	3.76	-83.86
CCC1CCC[N@H+](CC(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030124989	0	60	0.0	-72.30	440.56	6.32	-65.98
CCC1CCC[N@@H+](CC(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030124989	1	60	0.0	-72.49	433.19	6.29	-66.20
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300030124997	0	55	0.0	-67.55	418.31	4.88	-62.67
O=C(C[NH+]1CC2CC2C1)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030125012	0	52	0.0	-72.31	394.53	5.10	-67.21
O=C(CC1([NH+]2CCCC2)CC1)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030125025	0	58	0.0	-69.49	424.28	6.03	-63.46
C[N@@H+]1CCCCC1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030125062	0	54	0.0	-67.57	398.78	4.73	-62.84
C[N@H+]1CCCCC1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030125062	1	54	0.0	-67.52	398.80	4.77	-62.75
C[N@@H+]1CCC(=CC(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030125177	0	52	0.0	-69.71	396.23	4.80	-64.91
C[N@H+]1CCC(=CC(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030125177	1	52	0.0	-70.69	396.78	4.83	-65.86
O=C(CNC1=CC=[NH+]C=C1)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030125182	0	50	0.0	-73.12	394.90	2.49	-70.63
CC[NH+]1CCN(CC(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030125236	0	59	0.0	-70.75	435.46	3.36	-67.39
O=C(C=C1C[NH+]2CCC1CC2)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030125239	0	56	0.0	-64.83	414.44	5.67	-59.16
C[NH+](C)C1(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)CCCC1	REAL300030125274	0	57	0.0	-75.27	395.19	4.28	-70.99
C[N@H+](CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CCC[C@H]1O	REAL300030125285	0	58	0.0	-68.70	430.20	2.43	-66.27
C[N@@H+](CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CCC[C@H]1O	REAL300030125285	1	58	0.0	-69.77	430.14	2.60	-67.17
CCC1C[NH+](CC(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030125289	0	54	0.0	-73.35	411.85	5.08	-68.27
O=C(NCC1CCCN(C(=O)C2([NH+]3CCCC3)CCC2)CC1)C1=CC(=O)[N-]O1	REAL300030125293	0	58	0.0	-72.48	411.56	5.41	-67.07
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030125307	0	51	0.0	-69.73	384.48	4.11	-65.62
C[N@H+]1CCC[C@H]1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030125307	1	51	0.0	-71.08	376.23	3.65	-67.43
CC[N@@H+]1CCOCC1CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030125335	0	58	0.0	-77.04	427.40	3.75	-73.29
NC1=NC2=CC(C(=O)N3CCCC(CNC(=O)C4=CC(=O)[N-]O4)CC3)=CC=C2N1	REAL300030125416	0	51	0.0	-76.34	402.71	4.13	-72.21
NC1=[NH+]C2=CC(C(=O)N3CCCC(CNC(=O)C4=CC(=O)[N-]O4)CC3)=CC=C2N1	REAL300030125416	1	51	0.0	-76.34	402.71	4.13	-72.21
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030125450	0	54	0.0	-74.28	408.42	4.99	-69.29
C[NH+](C)C1CCC(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030125464	0	60	0.0	-79.38	433.36	5.77	-73.61
C[NH+](C)CCC1(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030125465	0	57	0.0	-72.81	430.56	5.54	-67.27
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030125467	0	60	0.0	-70.06	426.79	5.62	-64.44
C[N@@H+]1CC=CCC1CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030125468	0	55	0.0	-65.92	405.37	5.27	-60.65
C[N@H+]1CC=CCC1CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030125468	1	55	0.0	-65.92	405.37	5.27	-60.65
CC1=CC(C=CC(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)=CN=C1N	REAL300030125516	0	54	0.0	-65.39	423.18	4.21	-61.18
CC1=CC(C=CC(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)=C[NH+]=C1N	REAL300030125516	1	54	0.0	-65.39	423.18	4.21	-61.18
C[NH+](C)CCOCC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030125528	0	54	0.0	-72.73	415.08	4.36	-68.37
CCCCC[N@H+](C)CCC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030125534	0	62	0.0	-76.15	464.16	6.78	-69.37
CCCCC[N@@H+](C)CCC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030125534	1	62	0.0	-76.15	464.16	6.78	-69.37
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300030125545	0	58	0.0	-74.21	429.26	5.21	-69.00
[NH2+]=C1SC=CN1CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030125569	0	47	0.0	-68.08	386.28	3.40	-64.68
C[C@@H](OCC[NH+](C)C)C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030125638	0	57	0.0	-71.66	430.98	4.82	-66.84
O=C(CC[NH+]1CCCCCC1)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030125676	0	60	0.0	-75.68	433.58	5.89	-69.79
O=C(C[NH+]1CCCCC1)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030125680	0	54	0.0	-71.72	400.92	5.09	-66.63
C[N@@H+]1CCCC(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030125682	0	54	0.0	-73.35	398.99	4.59	-68.76
C[N@H+]1CCCC(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030125682	1	54	0.0	-74.82	403.17	4.70	-70.12
O=C(C[NH+]1CCC(CO)CC1)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030125683	0	58	0.0	-73.63	432.99	2.39	-71.24
O=C(C[NH+]1CCCCCC1)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030125684	0	57	0.0	-71.47	410.54	5.27	-66.20
CN1C=C[N+](CC(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030125689	0	49	0.0	-69.71	390.43	6.73	-62.98
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300030125705	1	54	0.0	-65.20	417.53	5.11	-60.09
O=C(C[NH+]1CCC(O)CC1)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030125721	1	55	0.0	-75.88	412.40	1.73	-74.15
C[N@@H+](CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300030125726	1	51	0.0	-69.44	388.63	4.64	-64.80
CC(C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1)N1CC[NH+](C)CC1	REAL300030125728	1	59	0.0	-74.20	431.81	3.05	-71.15
O=C(CC[N@@H+]1CCC(F)C1)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030125730	1	54	0.0	-78.69	413.66	5.03	-73.66
COC1C[N@@H+](C)C(C)(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030125740	1	58	0.0	-67.64	419.89	2.77	-64.87
CC(CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300030125757	0	56	0.0	-78.00	416.31	5.27	-72.73
O=C(NCC1CCCN(C(=O)C2CC[N@@H+]3CCOCC23)CC1)C1=CC(=O)[N-]O1	REAL300030125772	0	56	0.0	-77.74	418.20	3.52	-74.22
O=C(NCC1CCCN(C(=O)C2CC[N@H+]3CCOCC23)CC1)C1=CC(=O)[N-]O1	REAL300030125772	1	56	0.0	-68.77	406.80	3.33	-65.44
CC1=[NH+]C=C2C=CC(C(=O)N3CCCC(CNC(=O)C4=CC(=O)[N-]O4)CC3)=CN21	REAL300030125777	0	52	0.0	-63.33	403.64	6.01	-57.32
CN1CCOCC1CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030125791	0	55	0.0	-67.29	402.25	2.94	-64.35
C[N@@H+]1CCOCC1CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030125791	1	55	0.0	-79.92	409.69	3.09	-76.83
C[N@H+]1CCOCC1CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030125791	1	55	0.0	-67.29	402.25	2.94	-64.35
CC[NH+]1CCN(CC(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030125799	0	59	0.0	-70.75	435.46	3.36	-67.39
CC1=CC(N)=[NH+]C=C1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030125851	1	50	0.0	-74.78	392.35	2.53	-72.25
NC1=CC=C(CCC(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C=[NH+]1	REAL300030125854	0	53	0.0	-72.61	418.63	3.77	-68.84
CC1(O)CC[N@H+](CC(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030125893	0	55	0.0	-70.75	415.14	1.65	-69.10
CC1(O)CC[N@@H+](CC(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030125893	1	55	0.0	-72.84	416.15	1.65	-71.19
C[NH+]1CC(CC(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030125927	0	51	0.0	-73.20	391.00	4.08	-69.12
O=C(NCC1CCCN(C(=O)C2CC[N@@H+]2C2CCCC2)CC1)C1=CC(=O)[N-]O1	REAL300030125932	0	58	0.0	-73.02	432.26	6.08	-66.94
O=C(NCC1CCCN(C(=O)C2CC[N@H+]2C2CCCC2)CC1)C1=CC(=O)[N-]O1	REAL300030125932	1	58	0.0	-72.68	428.56	5.90	-66.78
C[NH+](C)CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030125940	0	47	0.0	-72.39	359.21	3.23	-69.16
C[N@H+](CCO)CCC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030125968	0	54	0.0	-74.26	409.66	1.29	-72.97
C[N@@H+](CCO)CCC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030125968	1	54	0.0	-73.61	410.00	1.25	-72.36
C[C@@H](C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030125969	0	50	0.0	-69.80	373.79	3.55	-66.25
C[N@@H+]1CCCCC1CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030125989	0	57	0.0	-75.96	418.63	5.44	-70.52
C[N@H+]1CCCCC1CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030125989	1	57	0.0	-64.27	410.93	5.33	-58.94
CC1=C2C=C(C(=O)N3CCCC(CNC(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300030126009	1	52	0.0	-66.69	404.34	6.80	-59.89
CC(C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CC(C)C1	REAL300030126010	0	54	0.0	-69.41	403.72	4.60	-64.81
CC1CC[N@@H+]1CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030126014	1	51	0.0	-70.92	390.94	4.31	-66.61
CC1CC[N@H+]1CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030126014	1	51	0.0	-70.87	390.54	4.30	-66.57
C[NH+](C)CC=CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030126027	0	51	0.0	-70.10	394.00	4.46	-65.64
CC1(C)C[NH+](CC(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030126040	1	54	0.0	-72.52	409.80	4.84	-67.68
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300030126058	1	55	0.0	-68.03	429.44	4.56	-63.47
CC1=C2C=C(C(=O)N3CCCC(CNC(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300030126069	1	52	0.0	-66.69	404.34	6.80	-59.89
C[NH+](C)CCSCC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030126078	0	54	0.0	-78.97	426.10	5.25	-73.72
O=C(C[N@H+]1CCCC1CO)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030126103	0	55	0.0	-71.82	414.26	1.89	-69.93
O=C(C[N@@H+]1CCCC1CO)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030126103	1	55	0.0	-68.95	405.33	1.75	-67.20
CC[NH+](CC)CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030126107	0	53	0.0	-70.18	390.78	4.30	-65.88
C[N@H+](CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1)C1CCSC1	REAL300030126117	0	55	0.0	-77.68	419.05	5.45	-72.23
C[N@@H+](CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1)C1CCSC1	REAL300030126117	1	55	0.0	-76.21	418.49	5.47	-70.74
O=C(C[NH+]1CCC1)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030126119	1	48	0.0	-72.40	369.30	3.65	-68.75
CC[NH+](CC)CCC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030126165	0	56	0.0	-73.99	412.79	4.93	-69.06
C[NH+](C)CC1=CNC(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030126227	0	55	0.0	-67.60	417.45	5.00	-62.60
CC(C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC(O)CC1	REAL300030126244	0	58	0.0	-71.47	418.27	1.73	-69.74
O=C(NCC1CCCN(C(=O)C2CC3COCC[N@@H+]3C2)CC1)C1=CC(=O)[N-]O1	REAL300030126250	0	56	0.0	-72.04	414.62	3.44	-68.60
O=C(NCC1CCCN(C(=O)C2CC3COCC[N@H+]3C2)CC1)C1=CC(=O)[N-]O1	REAL300030126250	1	56	0.0	-74.85	415.39	3.41	-71.44
CC(C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC1	REAL300030126264	1	51	0.0	-70.36	386.56	4.10	-66.26
CCC(CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300030126270	0	59	0.0	-74.66	430.22	5.76	-68.90
NC1=CC=C(C=CC(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C=[NH+]1	REAL300030126277	0	51	0.0	-67.07	405.77	3.45	-63.62
C[NH+](C)CC(C)(C)C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030126278	0	56	0.0	-73.86	395.20	4.16	-69.70
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030126336	0	54	0.0	-70.09	388.93	4.18	-65.91
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030126336	1	54	0.0	-68.77	399.06	4.69	-64.08
CC1CN2CC[N@@H+]1CC2C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030126350	0	57	0.0	-78.90	409.45	1.87	-77.03
CC1CN2CC[N@H+]1CC2C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030126350	1	57	0.0	-78.90	409.12	1.89	-77.01
C[NH+](C)CC(O)CC(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030126371	0	54	0.0	-78.13	411.91	2.26	-75.87
C[NH+]1C2CCC1CC(C(=O)N1CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300030126374	0	58	0.0	-75.07	414.82	5.16	-69.91
C=CCC(C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030126406	0	54	0.0	-71.33	400.78	4.72	-66.61
O=C(NCC1CCCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC1)C1=CC(=O)[N-]O1	REAL300030126414	0	58	0.0	-71.52	423.85	5.74	-65.78
O=C(NCC1CCCN(C(=O)C2CC3CCCC[N@H+]3C2)CC1)C1=CC(=O)[N-]O1	REAL300030126414	1	58	0.0	-69.40	426.05	5.90	-63.50
C[NH+]1CCC(C)(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030126425	0	57	0.0	-69.99	403.83	4.63	-65.36
C[NH+]1CCC(O)(CC(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030126427	0	58	0.0	-74.73	429.71	3.58	-71.15
CC1=C2C=C(C(=O)NCC3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300030126503	1	52	0.0	-74.29	406.54	7.14	-67.15
C[NH+](C)CCSCC(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030126512	0	54	0.0	-76.87	421.10	5.00	-71.87
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2COCC[N@@H+]2C1	REAL300030126520	0	56	0.0	-67.18	412.59	3.43	-63.75
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2COCC[N@H+]2C1	REAL300030126520	1	56	0.0	-72.56	414.69	3.44	-69.12
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CCC[N@@H+]1C	REAL300030126678	0	48	0.0	-69.10	376.32	2.83	-66.27
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CCC[N@H+]1C	REAL300030126678	1	48	0.0	-59.55	374.48	2.87	-56.68
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1C[N@H+](C)CCO1	REAL300030126702	1	49	0.0	-86.62	393.50	2.81	-83.81
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1C[N@@H+](C)CCO1	REAL300030126702	1	49	0.0	-56.78	382.56	2.37	-54.41
CC(C)C1=[NH+]C=CN1CCC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030126886	1	55	0.0	-58.82	440.52	5.35	-53.47
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C(C)[NH+]1CCCCCC1	REAL300030126893	0	57	0.0	-68.33	426.34	4.68	-63.65
CC(C)[N@H+]1CCCCC1C(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030126895	0	57	0.0	-67.74	429.50	4.76	-62.98
CC(C)[N@@H+]1CCCCC1C(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030126895	1	57	0.0	-65.69	429.51	4.86	-60.83
CC(C)[N@H+]1CCCC1C(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030126929	0	54	0.0	-58.82	413.46	4.44	-54.38
CC(C)[N@@H+]1CCCC1C(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030126929	1	54	0.0	-67.89	415.24	4.35	-63.54
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300030126955	0	55	0.0	-71.16	423.92	4.97	-66.19
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CC2CCCC[N@H+]2C1	REAL300030126955	1	55	0.0	-66.45	421.95	5.06	-61.39
CC(C)C1=[NH+]C=CN1CC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030126988	1	52	0.0	-60.73	420.76	4.95	-55.78
CC1=[NH+]C=CN1CC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030127042	1	46	0.0	-62.76	384.54	3.82	-58.94
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C(C)C[NH+]1CCOCC1	REAL300030127044	0	55	0.0	-65.28	425.91	2.92	-62.36
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CCC[NH+]1CCCCC1	REAL300030127066	0	57	0.0	-64.63	439.55	5.53	-59.10
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C(C)(C)[NH+]1CCCCC1	REAL300030127093	0	57	0.0	-72.71	423.07	5.14	-67.57
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1C[NH+]2CCC1CC2	REAL300030127112	0	52	0.0	-74.44	397.64	4.06	-70.38
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CCCC2CCC[N@@H+]21	REAL300030127170	0	55	0.0	-60.12	406.37	4.76	-55.36
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CCCC2CCC[N@H+]21	REAL300030127170	1	55	0.0	-59.29	418.56	5.14	-54.15
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300030127172	0	54	0.0	-75.70	439.41	3.71	-71.99
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300030127187	0	54	0.0	-64.33	438.87	3.87	-60.46
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300030127194	0	51	0.0	-74.22	392.86	3.33	-70.89
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300030127194	1	51	0.0	-72.94	399.16	3.52	-69.42
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030127197	1	55	0.0	-58.83	440.45	5.55	-53.28
CC[C@@H]1[C@@H](C(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030127200	0	54	0.0	-72.44	412.81	4.06	-68.38
CC[C@@H]1[C@@H](C(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030127200	1	54	0.0	-65.95	417.04	4.25	-61.70
CC[N@@H+]1CCOC(C(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030127226	1	52	0.0	-63.03	409.04	3.39	-59.64
CC[N@H+]1CCOC(C(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030127226	1	52	0.0	-79.33	404.31	3.27	-76.06
CC[NH+](CC)CC(F)C(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030127286	0	53	0.0	-67.93	417.03	4.10	-63.83
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=C(C[NH+](C)C)C=CS1	REAL300030127287	0	51	0.0	-64.91	421.85	4.94	-59.97
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[NH+]1C(C)CCC1C	REAL300030127392	0	54	0.0	-59.83	412.24	4.22	-55.61
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CCC[NH+]1CCCC1	REAL300030127399	0	54	0.0	-64.98	424.94	4.74	-60.24
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300030127400	0	54	0.0	-70.17	433.26	5.70	-64.47
C#CC[NH+]1CCC(C(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030127407	0	53	0.0	-77.05	425.52	5.08	-71.97
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CC[NH+]1CCCCC1	REAL300030127408	0	54	0.0	-63.80	418.05	4.73	-59.07
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=CC=CC=C1C[NH+](C)C	REAL300030127412	0	54	0.0	-62.66	425.28	6.11	-56.55
CC[N@@H+]1CCCCC1C(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030127421	0	54	0.0	-69.68	406.48	4.43	-65.25
CC[N@H+]1CCCCC1C(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030127421	1	54	0.0	-57.10	413.98	4.58	-52.52
CC(C)C(C(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300030127422	0	60	0.0	-70.55	443.47	6.11	-64.44
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C(C1=CC=CC=C1)[NH+](C)C	REAL300030127425	1	54	0.0	-73.46	430.82	5.83	-67.63
CC(C)C[N@@H+]1CCC(C(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030127451	0	57	0.0	-64.73	440.00	5.21	-59.52
CC(C)C[N@H+]1CCC(C(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030127451	1	57	0.0	-72.60	440.58	5.24	-67.36
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1([NH+](C)C)CCC1	REAL300030127455	0	51	0.0	-60.90	386.56	3.66	-57.24
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C(CN1C=CC=N1)[NH+](C)C	REAL300030127457	1	54	0.0	-62.94	427.63	3.46	-59.48
CC(C)[N@H+]1CCCC1CC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030127462	0	57	0.0	-70.61	435.77	4.90	-65.71
CC(C)[N@@H+]1CCCC1CC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030127462	1	57	0.0	-61.87	425.47	4.80	-57.07
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300030127463	0	58	0.0	-63.65	424.95	5.29	-58.36
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CCC[N@H+]1C1CCCC1	REAL300030127463	1	58	0.0	-70.60	441.89	5.74	-64.86
CC(C)[C@@H](C(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030127484	0	53	0.0	-67.78	400.50	3.82	-63.96
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[N@H+](C)C1CCC1	REAL300030127546	0	51	0.0	-69.96	402.25	4.33	-65.63
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[N@@H+](C)C1CCC1	REAL300030127546	1	51	0.0	-61.34	400.75	4.32	-57.02
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C(C)[NH+]1C(C)CCC1C	REAL300030127632	0	57	0.0	-57.73	424.46	4.69	-53.04
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CCN(C)C1=CC=[NH+]C=C1	REAL300030127711	0	53	0.0	-56.20	429.58	3.85	-52.35
C#CC[N@H+]1CCC[C@H]1C(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030127723	1	50	0.0	-68.92	402.95	4.03	-64.89
C#CC[N@@H+]1CCC[C@H]1C(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030127723	1	50	0.0	-70.44	408.82	4.54	-65.90
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CCC1CCC[N@@H+]1C	REAL300030127733	0	54	0.0	-71.42	418.17	4.35	-67.07
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CCC1CCC[N@H+]1C	REAL300030127733	1	54	0.0	-66.81	418.07	4.68	-62.13
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C12CCC[NH+](CCC1)C2	REAL300030127746	0	55	0.0	-64.72	411.90	4.55	-60.17
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CCC2CCCC[N@@H+]21	REAL300030127754	0	55	0.0	-67.82	417.86	4.85	-62.97
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CCC2CCCC[N@H+]21	REAL300030127754	1	55	0.0	-70.03	417.12	4.82	-65.21
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C(C)(C)C[NH+]1CCOCC1	REAL300030127762	0	58	0.0	-65.18	435.05	3.27	-61.91
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CCCC[NH+]1CCCC1	REAL300030127782	0	57	0.0	-74.02	447.60	5.58	-68.44
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300030127785	1	54	0.0	-66.48	431.81	5.80	-60.68
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300030127785	1	54	0.0	-66.34	431.16	5.93	-60.41
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CC[NH+](C)CC1	REAL300030127802	0	51	0.0	-75.65	400.85	3.92	-71.73
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=NOC(C[NH+](C)C)=C1	REAL300030127862	1	50	0.0	-80.88	414.39	3.24	-77.64
CC1=C(C(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300030127864	0	49	0.0	-72.85	408.14	6.00	-66.85
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CCCC[N@@H+]1C	REAL300030127907	0	51	0.0	-70.78	398.08	3.95	-66.83
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CCCC[N@H+]1C	REAL300030127907	1	51	0.0	-70.75	388.96	3.70	-67.05
CC(C)C[N@@H+]1CCCC1C(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030127938	0	57	0.0	-71.78	435.06	5.01	-66.77
CC(C)C[N@H+]1CCCC1C(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030127938	1	57	0.0	-59.08	428.37	4.52	-54.56
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300030128095	0	46	0.0	-65.46	384.67	5.84	-59.62
CC1=[NH+]C=CN1CCCC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030128108	1	52	0.0	-69.76	427.24	5.17	-64.59
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CCCC[NH+]1CCOCC1	REAL300030128112	1	58	0.0	-68.41	453.37	3.79	-64.62
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300030128118	0	54	0.0	-81.77	434.41	5.76	-76.01
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CC[NH+]1CCOCC1	REAL300030128119	1	52	0.0	-66.58	410.37	2.20	-64.38
CCC[NH+](CCC)CCCC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030128144	0	62	0.0	-64.95	473.19	6.13	-58.82
CC1=C[NH+]=CN1CC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030128164	1	46	0.0	-65.83	383.22	4.63	-61.20
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CN1C=[NH+]C2=C1CCCC2	REAL300030128175	1	53	0.0	-72.38	427.85	6.34	-66.04
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1(C[NH+](C)C)CCCCC1	REAL300030128219	0	60	0.0	-54.09	428.77	5.34	-48.75
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CC[N@H+](C)C1CCCCC1	REAL300030128225	0	60	0.0	-63.65	452.91	5.91	-57.74
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CC[N@@H+](C)C1CCCCC1	REAL300030128225	1	60	0.0	-63.85	453.52	5.79	-58.06
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C12CCC[NH+]1CCC2	REAL300030128230	0	52	0.0	-76.74	400.97	4.26	-72.48
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CCCC([NH+](C)C)C1	REAL300030128269	0	57	0.0	-61.63	426.24	4.98	-56.65
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CC1CC[N@H+](C)C1	REAL300030128274	0	51	0.0	-63.44	400.65	3.95	-59.49
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CC1CC[N@@H+](C)C1	REAL300030128274	1	51	0.0	-74.04	402.57	3.96	-70.08
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=C[NH+]=CC=C1N(C)C	REAL300030128288	0	50	0.0	-66.28	404.91	3.16	-63.12
CCC(C(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030128294	0	50	0.0	-59.85	385.52	3.20	-56.65
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CC1([NH+](C)C)CCCC1	REAL300030128314	0	57	0.0	-75.32	420.06	4.76	-70.56
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300030128379	1	46	0.0	-67.40	385.54	5.74	-61.66
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300030128422	1	49	0.0	-69.76	413.89	3.81	-65.95
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CCCC[NH+](C)C	REAL300030128456	0	53	0.0	-67.22	420.47	4.35	-62.87
CC(C)C(C(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030128478	0	53	0.0	-66.28	400.22	3.87	-62.41
CCC[N@H+](C)CCC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030128480	0	53	0.0	-65.00	416.10	4.29	-60.71
CCC[N@@H+](C)CCC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030128480	1	53	0.0	-65.16	416.70	4.16	-61.00
CCC[N@H+](C)CC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030128486	0	50	0.0	-63.78	394.33	3.62	-60.16
CCC[N@@H+](C)CC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030128486	1	50	0.0	-63.72	393.73	3.75	-59.97
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C12CC[N@H+](C1)CCC2	REAL300030128516	0	52	0.0	-72.76	397.85	3.47	-69.29
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300030128516	1	52	0.0	-80.67	397.09	3.69	-76.98
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)[C@H]1CCC[N@@H+]1C	REAL300030128580	0	48	0.0	-60.32	380.53	3.42	-56.90
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)[C@H]1CCC[N@H+]1C	REAL300030128580	1	48	0.0	-59.16	374.17	2.90	-56.26
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CCC2CC(C)C[N@@H+]2C1	REAL300030128607	0	58	0.0	-62.41	442.67	5.65	-56.76
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CCC2CC(C)C[N@H+]2C1	REAL300030128607	1	58	0.0	-65.39	438.27	5.93	-59.46
CCCCCC[N@H+](C)CC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030128658	0	59	0.0	-64.80	458.83	5.96	-58.84
CCCCCC[N@@H+](C)CC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030128658	1	59	0.0	-64.63	458.83	5.96	-58.67
CC[NH+](CC)C(C(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300030128667	0	59	0.0	-61.77	429.03	4.71	-57.06
CC[NH+](CC)CC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030128677	0	50	0.0	-62.82	391.21	3.57	-59.25
CCC[N@@H+]1CCCC(C(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030128711	0	57	0.0	-66.72	433.60	5.58	-61.14
CCC[N@H+]1CCCC(C(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030128711	1	57	0.0	-63.34	437.63	5.36	-57.98
CC(C)[N@H+]1CCOC(C(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030128734	1	55	0.0	-67.02	411.02	3.48	-63.54
CC(C)[N@@H+]1CCOC(C(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030128734	1	55	0.0	-63.17	413.98	4.58	-58.59
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[NH+]1CCC(C)CC1	REAL300030128774	0	54	0.0	-72.47	419.23	4.75	-67.72
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300030128805	1	49	0.0	-75.24	414.40	3.65	-71.59
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)COC1CC[NH+](C)CC1	REAL300030128814	0	55	0.0	-72.20	435.06	4.30	-67.90
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1(C[NH+](C)C)CC1	REAL300030128831	0	51	0.0	-78.34	407.96	4.03	-74.31
CC1=[NH+]C=C2CCC(C(=O)NC(C)CC3CN(C(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300030128832	1	53	0.0	-68.14	424.47	5.10	-63.04
CC(C)[NH+]1CCC(C(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030128933	0	57	0.0	-72.96	431.51	4.88	-68.08
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CC[NH+](C)CC1	REAL300030128963	0	51	0.0	-75.65	400.85	3.92	-71.73
CC(C)[C@H](C(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030128986	0	53	0.0	-59.40	404.74	4.27	-55.13
CCC(C(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030129023	0	56	0.0	-60.31	420.01	4.46	-55.85
CC[N@H+](C)CCC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030129118	0	50	0.0	-64.14	395.21	3.41	-60.73
CC[N@@H+](C)CCC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030129118	1	50	0.0	-64.63	395.20	3.41	-61.22
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[N@@H+]1CCCC1C	REAL300030129194	0	51	0.0	-68.67	394.95	3.73	-64.94
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[N@H+]1CCCC1C	REAL300030129194	1	51	0.0	-61.36	393.18	3.72	-57.64
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[N@@H+]1CCC(C)C1	REAL300030129196	0	51	0.0	-71.51	401.46	4.04	-67.47
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[N@H+]1CCC(C)C1	REAL300030129196	1	51	0.0	-70.77	402.49	4.00	-66.77
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1(F)CC[N@@H+](C(C)(C)C)C1	REAL300030129197	0	57	0.0	-56.24	436.33	4.63	-51.61
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1(F)CC[N@H+](C(C)(C)C)C1	REAL300030129197	1	57	0.0	-65.05	438.09	4.57	-60.48
CC1=[NH+]C=C2CC(C(=O)NC(C)CC3CN(C(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300030129199	1	53	0.0	-71.03	424.64	5.08	-65.95
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[N@@H+]1CCC(C)(C)C1	REAL300030129202	0	54	0.0	-62.42	419.43	4.59	-57.83
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[N@H+]1CCC(C)(C)C1	REAL300030129202	1	54	0.0	-71.27	421.08	4.61	-66.66
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[N@H+](C)CC(C)(C)C	REAL300030129203	0	56	0.0	-62.50	425.24	4.77	-57.73
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[N@@H+](C)CC(C)(C)C	REAL300030129203	1	56	0.0	-62.95	422.33	4.75	-58.20
CC[C@@H](C(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030129214	0	50	0.0	-67.71	386.94	3.27	-64.44
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)COCC(C)[NH+]1CCCC1	REAL300030129222	0	58	0.0	-69.79	454.86	5.02	-64.77
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CC[NH+](CC2CC2)CC1	REAL300030129310	0	58	0.0	-76.24	450.03	6.13	-70.11
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CC1(O)CC[NH+](C)CC1	REAL300030129460	0	55	0.0	-75.67	426.77	2.65	-73.02
COCC[N@@H+]1CCCC1CC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030129467	0	58	0.0	-61.02	446.79	4.19	-56.83
COCC[N@H+]1CCCC1CC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030129467	1	58	0.0	-72.90	447.67	3.41	-69.49
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[NH+](C)C	REAL300030129475	0	44	0.0	-64.19	355.11	2.21	-61.98
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[NH+]1CCC(CO)CC1	REAL300030129480	0	55	0.0	-73.60	430.06	1.44	-72.16
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[NH+]1CCCCCC1	REAL300030129484	0	54	0.0	-64.44	406.18	4.26	-60.18
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[N+]1=CN(C)C=C1	REAL300030129489	0	46	0.0	-70.82	387.36	5.86	-64.96
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CCC[N@H+](C)C1	REAL300030129500	0	51	0.0	-65.06	399.62	3.83	-61.23
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CCC[N@@H+](C)C1	REAL300030129500	1	51	0.0	-66.94	394.57	4.18	-62.76
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CCC[N@@H+]1C1CC1	REAL300030129506	0	52	0.0	-67.48	413.62	4.89	-62.59
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CCC[N@H+]1C1CC1	REAL300030129506	1	52	0.0	-67.10	408.71	4.67	-62.43
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C(C)[NH+]1CCC1	REAL300030129543	1	48	0.0	-69.15	384.38	3.42	-65.73
CCC(CC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030129552	0	56	0.0	-65.63	430.34	4.83	-60.80
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C(C)(C)C[NH+](C)C	REAL300030129561	0	53	0.0	-55.30	402.07	3.99	-51.31
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300030129584	0	53	0.0	-73.68	413.63	4.90	-68.78
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300030129584	1	53	0.0	-74.83	410.67	5.42	-69.41
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[NH+]1CCC(O)CC1	REAL300030129607	1	52	0.0	-76.78	408.94	0.86	-75.92
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[N@H+](C)C1CC1	REAL300030129609	0	48	0.0	-69.83	385.68	3.68	-66.15
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[N@@H+](C)C1CC1	REAL300030129609	1	48	0.0	-68.69	385.54	3.67	-65.02
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C(C)N1CC[NH+](C)CC1	REAL300030129610	1	56	0.0	-66.19	427.64	2.03	-64.16
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CC1C[NH+](C)C1	REAL300030129639	0	48	0.0	-74.00	387.72	3.08	-70.92
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CC[N@@H+]1C1CCCC1	REAL300030129643	0	55	0.0	-71.76	428.49	5.33	-66.43
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CC[N@H+]1C1CCCC1	REAL300030129643	1	55	0.0	-61.99	419.75	4.78	-57.21
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300030129651	0	54	0.0	-69.48	417.80	3.99	-65.49
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CC[N@H+]1C(C)(C)C	REAL300030129651	1	54	0.0	-58.78	416.47	4.09	-54.69
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300030129662	0	54	0.0	-67.58	429.84	2.66	-64.92
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)[C@H](C)[NH+](C)C	REAL300030129665	0	47	0.0	-69.22	374.39	2.68	-66.54
CCC1CCC[N@H+](CC(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030129717	0	57	0.0	-72.34	437.21	5.47	-66.87
CCC1CCC[N@@H+](CC(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030129717	1	57	0.0	-72.41	430.07	5.44	-66.97
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=CC=C(C[NH+](C)C)N1	REAL300030129726	0	52	0.0	-84.77	423.08	3.53	-81.24
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CC1CC2CCC(C1)[NH+]2C	REAL300030129741	0	58	0.0	-69.36	420.79	4.65	-64.71
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CN1C=CSC1=[NH2+]	REAL300030129787	0	44	0.0	-62.24	382.17	2.39	-59.85
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CC[N@H+](C)CCO	REAL300030129800	0	51	0.0	-63.31	404.95	0.32	-62.99
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CC[N@@H+](C)CCO	REAL300030129800	1	51	0.0	-63.47	405.53	0.18	-63.29
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)[C@H](C)[NH+](C)C	REAL300030129801	0	47	0.0	-69.22	374.39	2.68	-66.54
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)[C@H]1CCCC[N@@H+]1C	REAL300030129805	0	51	0.0	-58.56	397.13	3.83	-54.73
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)[C@H]1CCCC[N@H+]1C	REAL300030129805	1	51	0.0	-70.97	388.80	3.78	-67.19
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1C[N@@H+]2CCN1CC2C	REAL300030129815	0	54	0.0	-75.17	407.43	1.25	-73.92
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1C[N@H+]2CCN1CC2C	REAL300030129815	1	54	0.0	-56.66	403.70	1.22	-55.44
COC1C[N@@H+]2CCCC2(C(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030129864	0	56	0.0	-59.09	429.12	3.41	-55.68
COC1C[N@H+]2CCCC2(C(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030129864	1	56	0.0	-69.65	431.89	3.12	-66.53
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CC1=CC2=C[NH+]=CN2C=C1	REAL300030129880	0	49	0.0	-66.85	408.88	6.50	-60.35
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[N@H+](C)C1CCSC1	REAL300030129913	0	52	0.0	-67.27	414.44	4.43	-62.84
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[N@@H+](C)C1CCSC1	REAL300030129913	1	52	0.0	-69.09	414.45	4.46	-64.63
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[NH+]1CCC1	REAL300030129914	1	45	0.0	-63.34	365.21	2.64	-60.70
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=CC=NC(C[NH+](C)C)=C1	REAL300030129952	1	53	0.0	-65.46	428.65	4.35	-61.11
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C=C1CC[N@H+](C)C1	REAL300030129954	0	49	0.0	-75.83	394.01	3.93	-71.90
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C=C1CC[N@@H+](C)C1	REAL300030129954	1	49	0.0	-75.89	394.13	3.91	-71.98
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1C[NH+](C2CCCCC2)C1	REAL300030129981	0	58	0.0	-66.77	447.08	5.54	-61.23
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)COCC[NH+](C)C	REAL300030129999	0	51	0.0	-67.65	410.97	3.27	-64.38
CCCCC[N@H+](C)CCC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030130006	0	59	0.0	-65.50	459.70	5.72	-59.78
CCCCC[N@@H+](C)CCC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030130006	1	59	0.0	-66.00	459.70	5.72	-60.28
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300030130016	0	55	0.0	-66.80	433.36	4.25	-62.55
C=CCC(C)(C(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030130028	0	54	0.0	-60.69	403.36	3.75	-56.94
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C(O)CC[S+](C)C	REAL300030130033	0	50	0.0	-53.05	406.67	2.60	-50.45
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1(C)CC(O)C[N@@H+]1C	REAL300030130068	0	52	0.0	-59.45	403.03	0.52	-58.93
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CN(C)CC[N@H+](C)C1	REAL300030130083	0	56	0.0	-60.52	425.13	2.13	-58.39
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CN(C)CC[N@@H+](C)C1	REAL300030130083	1	56	0.0	-60.52	425.13	2.13	-58.39
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C(C)[N@@H+]1CCCC(O)C1	REAL300030130084	0	55	0.0	-72.20	425.28	1.35	-70.85
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CC1(O)CCC[N@H+](C)C1	REAL300030130109	0	55	0.0	-59.11	414.80	2.49	-56.62
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CC1(O)CCC[N@@H+](C)C1	REAL300030130109	1	55	0.0	-59.11	414.80	2.49	-56.62
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CN1CC(C)C1	REAL300030130113	0	48	0.0	-71.91	387.55	3.37	-68.54
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[NH+]1CC(C)C1	REAL300030130113	1	48	0.0	-71.91	387.55	3.37	-68.54
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CN(C)CCO	REAL300030130143	0	48	0.0	-63.18	383.18	-0.36	-63.54
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[N@H+](C)CCO	REAL300030130143	1	48	0.0	-63.84	382.97	-0.37	-64.21
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[N@@H+](C)CCO	REAL300030130143	1	48	0.0	-63.84	382.97	-0.37	-64.21
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C=C1CC2CCC(C1)[NH+]2C	REAL300030130166	0	56	0.0	-70.59	429.33	5.22	-65.37
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1C[N@@H+]2CCN1CCC2	REAL300030130171	0	54	0.0	-59.13	398.17	2.03	-57.10
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1C[N@H+]2CCN1CCC2	REAL300030130171	1	54	0.0	-59.13	398.17	2.03	-57.10
CC[N@@H+]1CCCC(C(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030130180	0	54	0.0	-64.20	412.11	4.84	-59.36
CC[N@H+]1CCCC(C(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030130180	1	54	0.0	-64.20	412.11	4.84	-59.36
CC(CC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030130182	0	53	0.0	-62.39	412.22	4.20	-58.19
CC[N@H+](C)CC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030130198	0	47	0.0	-63.27	372.23	3.00	-60.27
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C12CCC[N@@H+]1CCCC2	REAL300030130227	0	55	0.0	-67.46	400.22	5.03	-62.43
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C12CCC[N@H+]1CCCC2	REAL300030130227	1	55	0.0	-67.46	400.22	5.03	-62.43
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C12CCC[N@@H+]1CC=CC2	REAL300030130237	0	53	0.0	-64.11	397.50	4.73	-59.38
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C12CCC[N@H+]1CC=CC2	REAL300030130237	1	53	0.0	-64.11	397.50	4.73	-59.38
CC[N@H+](CC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030130265	0	51	0.0	-69.72	402.50	4.39	-65.33
CC[NH+](CC)CCC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030130290	0	53	0.0	-64.11	408.71	3.84	-60.27
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CN1CC(C)(C)C1	REAL300030130324	0	51	0.0	-63.60	405.72	3.84	-59.76
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[NH+]1CC(C)(C)C1	REAL300030130324	1	51	0.0	-63.60	405.72	3.84	-59.76
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CCCC[NH+]1CCCCC1	REAL300030130330	0	60	0.0	-65.62	461.04	6.32	-59.30
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[N@@H+]1CCC(C)(O)C1	REAL300030130365	0	52	0.0	-70.90	412.16	0.77	-70.13
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C=CC[NH+](C)C	REAL300030130378	0	48	0.0	-65.62	392.33	3.47	-62.15
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C(C)OCC[NH+](C)C	REAL300030130405	0	54	0.0	-66.32	430.76	3.96	-62.36
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CCOCC[NH+](C)C	REAL300030130416	0	54	0.0	-63.40	431.93	2.99	-60.41
COCCN(C)CC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030130417	0	51	0.0	-64.35	405.22	2.03	-62.32
COCC[N@H+](C)CC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030130417	1	51	0.0	-63.09	405.44	2.04	-61.05
COCC[N@@H+](C)CC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030130417	1	51	0.0	-63.09	405.44	2.04	-61.05
COCCCC[N@H+](C)CCC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030130449	0	60	0.0	-68.53	471.87	4.01	-64.52
COCCCC[N@@H+](C)CCC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030130449	1	60	0.0	-68.53	471.87	4.01	-64.52
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1([NH+](C)C)CCCC1	REAL300030130475	0	54	0.0	-80.25	406.08	4.44	-75.81
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CCC(C)[NH+](C)C	REAL300030130478	0	53	0.0	-64.32	412.39	3.92	-60.40
CCN1CCC1C(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030130488	0	48	0.0	-62.27	386.16	3.31	-58.96
CC[N@@H+]1CCC1C(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030130488	1	48	0.0	-70.86	380.77	2.99	-67.87
CC[N@H+]1CCC1C(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030130488	1	48	0.0	-70.86	380.77	2.99	-67.87
CC(C)[N@@H+]1CCCC(C(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030130501	0	57	0.0	-59.79	427.14	5.32	-54.47
CC(C)[N@H+]1CCCC(C(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030130501	1	57	0.0	-59.79	427.14	5.32	-54.47
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[N@@H+]1CCCC1CO	REAL300030130516	0	52	0.0	-71.41	410.43	0.73	-70.68
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300030130543	0	55	0.0	-66.45	421.95	5.06	-61.39
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CC2CCCC[N@H+]2C1	REAL300030130543	1	55	0.0	-66.45	421.95	5.06	-61.39
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1(C)CC[NH+](C)CC1	REAL300030130552	0	54	0.0	-65.84	413.53	4.34	-61.50
C=CCC(C(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030130595	0	51	0.0	-59.34	398.78	3.69	-55.65
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CC(C)(C)C[N@@H+]1C	REAL300030130613	0	54	0.0	-58.90	414.42	4.04	-54.86
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CC(C)(C)C[N@H+]1C	REAL300030130613	1	54	0.0	-58.90	414.42	4.04	-54.86
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CCCCC[NH+](C)C	REAL300030130618	0	56	0.0	-68.39	441.97	5.12	-63.27
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1C[N@@H+]2CCN1C(C)C2	REAL300030130666	0	54	0.0	-65.50	393.14	1.46	-64.04
CCCC(C(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030130667	0	53	0.0	-60.28	407.01	3.98	-56.30
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C(C)(C)[NH+](C)C	REAL300030130672	0	50	0.0	-68.25	382.75	3.31	-64.94
CC[NH+](CC)CCSCC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030130713	0	57	0.0	-67.59	457.71	5.50	-62.09
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CCCC[N@@H+]1C	REAL300030130725	0	51	0.0	-70.75	388.96	3.70	-67.05
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CC1=CC[N@H+](C)CC1	REAL300030130777	0	52	0.0	-65.74	414.25	4.54	-61.20
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CC1=CC[N@@H+](C)CC1	REAL300030130777	1	52	0.0	-65.74	414.25	4.54	-61.20
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CC1([NH+]2CCCC2)CC1	REAL300030130787	0	55	0.0	-59.93	419.29	5.09	-54.84
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C(C)(C)C1CCC[N@H+](C)C1	REAL300030130846	0	60	0.0	-66.30	435.89	5.01	-61.29
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C(C)(C)C1CCC[N@@H+](C)C1	REAL300030130846	1	60	0.0	-74.49	446.25	5.38	-69.11
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=CC=C(C[NH+](C)C)O1	REAL300030130851	1	51	0.0	-60.19	417.08	4.32	-55.87
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=CC=C(C[NH+](C)C)N=C1	REAL300030130857	0	53	0.0	-65.04	428.45	3.96	-61.08
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C=CC[NH+]1CCCC1	REAL300030130875	0	52	0.0	-65.35	417.41	4.64	-60.71
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CC[NH+](C2CC2)CC1	REAL300030130902	0	55	0.0	-73.52	425.57	5.21	-68.31
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1([NH+](C)C)CC1	REAL300030130927	0	48	0.0	-75.13	373.77	3.64	-71.49
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CC[NH+]1CCCC1	REAL300030130931	0	51	0.0	-63.86	403.43	3.93	-59.93
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1C[NH+]2CCN1CC2	REAL300030130978	0	51	0.0	-58.00	387.14	0.70	-57.30
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C12CC(C1)C[N@@H+]2C	REAL300030130989	0	49	0.0	-76.50	385.67	3.70	-72.80
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C12CC(C1)C[N@H+]2C	REAL300030130989	1	49	0.0	-77.49	388.54	3.42	-74.07
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[N@@H+]1CC2CCC1C2	REAL300030131005	0	52	0.0	-60.49	398.39	4.24	-56.25
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[N@H+]1CC2CCC1C2	REAL300030131005	1	52	0.0	-60.53	399.07	4.11	-56.42
CC(C)[NH+]1CCC(CC(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030131017	0	60	0.0	-61.42	448.97	5.53	-55.89
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C=C1C[NH+]2CCC1CC2	REAL300030131068	0	53	0.0	-68.00	412.41	4.66	-63.34
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[N@@H+]1CC2C=CC1C2	REAL300030131080	1	50	0.0	-69.44	395.11	4.22	-65.22
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[N@H+]1CC2C=CC1C2	REAL300030131080	1	50	0.0	-70.38	395.37	4.22	-66.16
CC[NH+]1CCN(CC(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030131119	0	56	0.0	-70.30	432.99	2.53	-67.77
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C(C)C[NH+](C)C	REAL300030131145	0	50	0.0	-63.60	393.51	3.48	-60.12
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CC1CCCC[N@@H+]1C	REAL300030131247	0	54	0.0	-56.09	405.94	4.41	-51.68
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CC1CCCC[N@H+]1C	REAL300030131247	1	54	0.0	-74.16	415.51	4.45	-69.71
CC1=C2C=C(C(=O)NC(C)CC3CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030131270	1	49	0.0	-64.86	406.85	6.41	-58.45
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C(C)[NH+]1CC(C)C1	REAL300030131271	0	51	0.0	-69.32	405.45	4.05	-65.27
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[N@@H+]1CCC1C	REAL300030131275	1	48	0.0	-71.30	387.60	3.35	-67.95
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[N@H+]1CCC1C	REAL300030131275	1	48	0.0	-69.65	382.07	3.07	-66.58
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CC(O)C[NH+](C)C	REAL300030131280	0	51	0.0	-68.10	407.72	1.24	-66.86
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1C[N@H+](C)CC(C)O1	REAL300030131318	1	52	0.0	-63.76	412.39	3.48	-60.28
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1C[N@@H+](C)CC(C)O1	REAL300030131318	1	52	0.0	-82.06	408.07	3.50	-78.56
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CC[NH+]1CCC(O)CC1	REAL300030131330	0	55	0.0	-68.16	430.20	1.28	-66.88
CCC[N@@H+]1CCCCC1C(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030131333	0	57	0.0	-59.60	426.06	5.16	-54.44
CCC[N@H+]1CCCCC1C(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030131333	1	57	0.0	-68.64	428.05	5.17	-63.47
CC[NH+]1CCN(CCC(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030131338	0	59	0.0	-73.95	454.37	2.88	-71.07
CCN1CC[NH+](CCC(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030131338	1	59	0.0	-74.67	454.88	2.91	-71.76
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300030131341	0	58	0.0	-72.34	426.41	5.10	-67.24
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300030131341	1	58	0.0	-62.39	430.97	5.72	-56.67
CC(C)C[NH+]1CCC(C(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030131389	0	60	0.0	-75.59	457.31	6.02	-69.57
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CN1CCC([NH+](C)C)CC1	REAL300030131415	0	59	0.0	-72.08	449.56	3.04	-69.04
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300030131437	0	51	0.0	-59.42	403.94	4.06	-55.36
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C(C)CC[NH+](C)C	REAL300030131445	0	53	0.0	-65.33	415.14	4.09	-61.24
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300030131479	0	55	0.0	-61.83	424.45	1.61	-60.22
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O	REAL300030131479	1	55	0.0	-67.77	426.71	1.73	-66.04
C#CC[N@H+]1CCCCC1C(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030131488	1	53	0.0	-63.14	421.86	5.12	-58.02
C#CC[N@@H+]1CCCCC1C(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030131488	1	53	0.0	-68.25	423.53	5.13	-63.12
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CN1CC[NH+](C)CC1	REAL300030131494	1	53	0.0	-71.08	415.64	1.86	-69.22
CC[NH+]1CCN(CC(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030131503	0	56	0.0	-70.30	432.99	2.53	-67.77
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CSC(N)=[NH2+]	REAL300030131535	0	42	0.0	-65.09	363.63	-0.93	-66.02
CC[N@@H+]1CCOCC1CC(=O)NC(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030131583	0	55	0.0	-64.64	422.89	2.68	-61.96
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1(CC[NH+](C)C)CCCC1	REAL300030131602	0	60	0.0	-65.18	447.33	6.16	-59.02
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CC[NH+]1C(C)CCCC1C	REAL300030131604	0	60	0.0	-70.34	446.86	5.36	-64.98
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CCC([NH+](C)C)CC1	REAL300030131607	0	57	0.0	-60.74	428.56	4.97	-55.77
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1(CC[NH+](C)C)CC1	REAL300030131608	0	54	0.0	-80.80	431.99	4.79	-76.01
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300030131612	0	57	0.0	-69.07	427.40	4.91	-64.16
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CC1CC=CC[N@@H+]1C	REAL300030131613	0	52	0.0	-66.43	406.31	4.26	-62.17
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CC1CC=CC[N@H+]1C	REAL300030131613	1	52	0.0	-66.43	406.31	4.26	-62.17
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)[C@@H](C)OCC[NH+](C)C	REAL300030131643	0	54	0.0	-62.06	430.78	3.96	-58.10
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CC2CCC(C1)[NH+]2C	REAL300030131677	0	55	0.0	-66.51	390.32	4.37	-62.14
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C(C)[NH+]1CCSCC1	REAL300030131830	1	52	0.0	-73.61	411.65	4.12	-69.49
CCC1C[NH+](CC(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030131833	1	51	0.0	-64.39	407.77	4.08	-60.31
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1C[NH+](C2CCOCC2)C1	REAL300030131835	0	56	0.0	-69.38	438.30	3.15	-66.23
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1([NH+]2CCCC2)CCC1	REAL300030131837	0	55	0.0	-73.71	412.70	4.91	-68.80
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)[C@@H]1CCC[N@@H+]1C	REAL300030131848	0	48	0.0	-59.56	375.12	2.76	-56.80
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)[C@@H]1CCC[N@H+]1C	REAL300030131848	1	48	0.0	-61.59	379.75	3.27	-58.32
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CC[N@@H+]1CCC(F)C1	REAL300030131858	0	51	0.0	-67.85	408.26	4.09	-63.76
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CC[N@H+]1CCC(F)C1	REAL300030131858	1	51	0.0	-66.46	409.31	4.02	-62.44
COC1C[N@H+](C)C(C)(C(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030131867	0	55	0.0	-73.86	420.96	2.82	-71.04
COC1C[N@@H+](C)C(C)(C(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030131867	1	55	0.0	-78.53	425.92	2.98	-75.55
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CC[NH+]1CCCCCC1	REAL300030131880	0	57	0.0	-64.54	429.12	4.83	-59.71
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C[NH+]1CCCCC1	REAL300030131882	0	51	0.0	-71.91	398.23	4.23	-67.68
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CC[N@H+](C)C1C	REAL300030131892	0	51	0.0	-59.92	393.54	3.62	-56.30
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CC[N@@H+](C)C1C	REAL300030131892	1	51	0.0	-60.75	394.36	3.45	-57.30
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CCC1CCCC[N@@H+]1C	REAL300030131895	0	57	0.0	-72.21	437.62	5.27	-66.94
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CCC1CCCC[N@H+]1C	REAL300030131895	1	57	0.0	-63.46	436.18	5.12	-58.34
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CC[N@@H+]2CCOCC12	REAL300030131931	0	53	0.0	-72.60	413.13	2.51	-70.09
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CC[N@H+]2CCOCC12	REAL300030131931	1	53	0.0	-77.71	415.25	2.54	-75.17
CC1=[NH+]C=C2C=CC(C(=O)NC(C)CC3CN(C(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300030131939	0	49	0.0	-61.65	406.09	5.61	-56.04
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CC1COCC[N@@H+]1C	REAL300030131959	1	52	0.0	-64.80	397.34	2.02	-62.78
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CC1COCC[N@H+]1C	REAL300030131959	1	52	0.0	-64.82	397.62	2.00	-62.82
CC1=C(C)[NH+]=C(CCC(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030131970	1	52	0.0	-67.87	426.51	3.55	-64.32
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300030131985	1	55	0.0	-70.78	440.58	6.01	-64.77
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CC[N@H+]1CC1=CC=CC=C1	REAL300030131985	1	55	0.0	-65.43	446.07	6.32	-59.11
CC(C)C[N@@H+]1CCCC(C(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030131989	0	60	0.0	-71.62	457.41	6.07	-65.55
CC(C)C[N@H+]1CCCC(C(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030131989	1	60	0.0	-64.25	448.32	6.24	-58.01
CC(CC1CN(C(=O)C2CCC[N@@H+]2C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030132156	0	48	0.0	-57.89	381.43	3.29	-54.60
CC(CC1CN(C(=O)C2CCC[N@H+]2C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030132156	1	48	0.0	-68.18	377.34	2.96	-65.22
CC(CC1CN(C(=O)C2C[N@H+](C)CCO2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030132182	1	49	0.0	-58.54	381.97	2.60	-55.94
CC(CC1CN(C(=O)C2C[N@@H+](C)CCO2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030132182	1	49	0.0	-67.24	385.19	2.51	-64.73
CC1=[NH+]C=CN1CCCC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030132353	1	52	0.0	-61.03	428.04	5.25	-55.78
CC(CC1CN(C(=O)CCCC[NH+]2CCOCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030132357	1	58	0.0	-66.04	454.47	4.07	-61.97
CC(CC1CN(C(=O)C2=CC=C(C[NH+](C)C)C=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030132363	0	54	0.0	-64.22	431.14	5.37	-58.85
CC(CC1CN(C(=O)CC[NH+]2CCOCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030132364	1	52	0.0	-63.51	412.34	2.34	-61.17
CCC[NH+](CCC)CCCC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030132389	0	62	0.0	-62.42	478.77	6.70	-55.72
CC(CC1CN(C(=O)C23CCC[NH+]2CCC3)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030132406	0	52	0.0	-57.39	391.40	3.95	-53.44
CC(CC1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030132424	1	46	0.0	-85.98	383.16	5.40	-80.58
CC(CC1CN(C(=O)C2CCCC([NH+](C)C)C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030132498	0	57	0.0	-63.52	433.54	4.95	-58.57
CC(CC1CN(C(=O)CC2CC[N@H+](C)C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030132503	0	51	0.0	-72.82	404.57	4.07	-68.75
CC(CC1CN(C(=O)CC2CC[N@@H+](C)C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030132503	1	51	0.0	-70.97	404.98	3.95	-67.02
CC(CC1CN(C(=O)C2=C[NH+]=CC=C2N(C)C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030132517	0	50	0.0	-76.01	407.15	2.48	-73.53
CCC(C(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030132523	0	50	0.0	-57.82	389.68	3.48	-54.34
CC(CC1CN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030132532	1	49	0.0	-57.57	413.24	3.93	-53.64
CC(CC1CN(C(=O)C2CCC3CC(C)C[N@@H+]3C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030132582	0	58	0.0	-60.20	438.67	5.76	-54.44
CC(CC1CN(C(=O)C2CCC3CC(C)C[N@H+]3C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030132582	1	58	0.0	-63.09	437.62	5.73	-57.36
CC(CC1CN(C(=O)CCCC[NH+](C)C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030132615	0	53	0.0	-65.38	422.43	4.48	-60.90
CC(C)C(C(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030132639	0	53	0.0	-58.41	399.73	4.27	-54.14
CCC[N@H+](C)CCC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030132641	0	53	0.0	-61.01	417.83	4.45	-56.56
CCC[N@@H+](C)CCC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030132641	1	53	0.0	-61.61	418.66	4.30	-57.31
CCC[N@H+](C)CC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030132647	0	50	0.0	-59.48	396.30	3.76	-55.72
CCC[N@@H+](C)CC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030132647	1	50	0.0	-59.54	396.30	3.75	-55.79
CC(CC1CN(C(=O)C23CC[N@H+](C2)CCC3)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030132677	0	52	0.0	-71.99	395.11	3.40	-68.59
CC(CC1CN(C(=O)C23CC[N@@H+](C2)CCC3)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030132677	1	52	0.0	-60.20	392.76	3.39	-56.81
CCCCCC[N@H+](C)CC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030132726	0	59	0.0	-59.69	459.93	6.23	-53.46
CCCCCC[N@@H+](C)CC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030132726	1	59	0.0	-60.47	460.80	6.09	-54.38
CC[NH+](CC)C(C(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300030132735	0	59	0.0	-56.35	435.02	5.37	-50.98
CC(CC1CN(C(=O)C[NH+]2CCC(C)CC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030132777	0	54	0.0	-57.92	418.81	4.96	-52.96
CC(CC1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030132808	1	49	0.0	-79.34	412.77	3.48	-75.86
CC(CC1CN(C(=O)COC2CC[NH+](C)CC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030132817	0	55	0.0	-67.90	436.15	4.62	-63.28
CC(CC1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030132887	0	55	0.0	-60.89	424.04	5.06	-55.83
CC(CC1CN(C(=O)C2CC3CCCC[N@H+]3C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030132887	1	55	0.0	-57.46	422.00	4.98	-52.48
CC(CC1CN(C(=O)C2(C[NH+](C)C)CC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030132901	0	51	0.0	-72.53	409.37	4.15	-68.38
CC1=[NH+]C=C2CCC(C(=O)N3CC(CC(C)NC(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300030132902	1	53	0.0	-71.22	425.44	4.93	-66.29
CC(C)[NH+]1CCC(C(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030132914	0	57	0.0	-58.23	431.43	4.97	-53.26
CC[N@H+](C)CCC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030132953	0	50	0.0	-61.49	397.17	3.56	-57.93
CC[N@@H+](C)CCC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030132953	1	50	0.0	-61.24	397.16	3.55	-57.69
CC(CC1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030132986	0	57	0.0	-57.48	420.70	5.24	-52.24
CC(CC1CN(C(=O)C2C[NH+]3CCC2CC3)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030133005	0	52	0.0	-68.68	397.16	4.03	-64.65
CC(CC1CN(C(=O)C2CC[NH+](C)CC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030133100	0	51	0.0	-62.98	398.20	3.91	-59.07
CC(C)[C@H](C(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030133123	0	53	0.0	-69.17	403.14	4.19	-64.98
CC(CC1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030133217	0	58	0.0	-61.43	446.26	5.99	-55.44
CC[NH+](CC)CC(F)C(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030133264	0	53	0.0	-62.02	418.88	4.45	-57.57
CC(CC1CN(C(=O)C2=C(C[NH+](C)C)C=CS2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030133265	0	51	0.0	-60.33	419.36	4.72	-55.61
CC(C)C[N@@H+]1CCC(C(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030133311	0	57	0.0	-61.10	442.22	5.26	-55.84
CC(C)C[N@H+]1CCC(C(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030133311	1	57	0.0	-58.96	438.54	5.27	-53.69
CC(CC1CN(C(=O)C2([NH+](C)C)CCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030133315	0	51	0.0	-57.68	382.52	3.44	-54.24
CCC(C(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030133352	0	56	0.0	-57.97	418.35	4.82	-53.15
CC(CC1CN(C(=O)C[N@@H+]2CCCC2C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030133383	0	51	0.0	-63.90	403.08	4.15	-59.75
CC(CC1CN(C(=O)C[N@H+]2CCCC2C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030133383	1	51	0.0	-63.54	396.81	3.83	-59.71
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030133471	1	55	0.0	-56.38	442.53	5.50	-50.88
CC(CC1CN(C(=O)C(C)[NH+]2CCCCCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030133478	0	57	0.0	-56.28	426.60	4.71	-51.57
CC(C)[N@H+]1CCCCC1C(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030133480	0	57	0.0	-63.06	431.16	4.89	-58.17
CC(C)[N@@H+]1CCCCC1C(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030133480	1	57	0.0	-55.66	419.83	4.62	-51.04
CC(C)[N@H+]1CCCC1C(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030133514	0	54	0.0	-63.19	414.29	4.46	-58.73
CC(C)[N@@H+]1CCCC1C(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030133514	1	54	0.0	-62.90	416.19	4.53	-58.37
CC(CC1CN(C(=O)C(CN2C=CC=N2)[NH+](C)C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030133520	1	54	0.0	-61.47	428.80	3.56	-57.91
CC(C)[N@H+]1CCCC1CC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030133525	0	57	0.0	-57.85	435.57	5.11	-52.74
CC(C)[N@@H+]1CCCC1CC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030133525	1	57	0.0	-53.79	426.24	4.87	-48.92
CC(CC1CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030133526	0	58	0.0	-67.74	436.33	6.11	-61.63
CC(CC1CN(C(=O)C2CCC[N@H+]2C2CCCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030133526	1	58	0.0	-54.92	441.43	5.82	-49.10
CC(C)[C@@H](C(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030133547	0	53	0.0	-64.42	401.52	4.20	-60.22
CC(CC1CN(C(=O)C[N@@H+]2CCC(C)C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030133581	0	51	0.0	-65.58	403.59	4.13	-61.45
CC(CC1CN(C(=O)C[N@H+]2CCC(C)C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030133581	1	51	0.0	-57.94	402.62	4.19	-53.75
CC(CC1CN(C(=O)C2(F)CC[N@@H+](C(C)(C)C)C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030133582	0	57	0.0	-62.08	437.49	4.58	-57.50
CC(CC1CN(C(=O)C2(F)CC[N@H+](C(C)(C)C)C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030133582	1	57	0.0	-60.73	439.98	4.60	-56.13
CC1=[NH+]C=C2CC(C(=O)N3CC(CC(C)NC(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300030133584	1	53	0.0	-58.05	423.24	4.88	-53.17
CC(CC1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030133587	0	54	0.0	-65.74	423.83	4.71	-61.03
CC(CC1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030133587	1	54	0.0	-57.84	421.76	4.67	-53.17
CC(CC1CN(C(=O)C[N@H+](C)CC(C)(C)C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030133588	0	56	0.0	-57.65	425.99	5.03	-52.62
CC(CC1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030133588	1	56	0.0	-58.03	424.04	4.86	-53.17
CC[C@@H](C(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030133599	0	50	0.0	-59.93	389.17	3.50	-56.43
CC(CC1CN(C(=O)COCC(C)[NH+]2CCCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030133607	0	58	0.0	-62.71	455.70	5.13	-57.58
CC(CC1CN(C(=O)CCN(C)C2=CC=[NH+]C=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030133769	0	53	0.0	-61.19	430.93	4.15	-57.04
CC1=[NH+]C=CN1CC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030133895	1	46	0.0	-58.79	386.48	3.95	-54.84
CC(CC1CN(C(=O)C(C)C[NH+]2CCOCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030133897	0	55	0.0	-61.13	424.92	2.97	-58.16
CC(CC1CN(C(=O)CCC[NH+]2CCCCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030133919	0	57	0.0	-62.46	442.57	5.58	-56.88
CC(CC1CN(C(=O)C2=NOC(C[NH+](C)C)=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030133940	1	50	0.0	-80.36	414.30	3.38	-76.98
CC1=C(C(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300030133942	0	49	0.0	-68.02	410.47	6.20	-61.82
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030133991	1	52	0.0	-57.23	421.86	5.20	-52.03
CC(CC1CN(C(=O)C2CCCC3CCC[N@@H+]32)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134046	0	55	0.0	-66.87	423.19	5.20	-61.67
CC(CC1CN(C(=O)C2CCCC3CCC[N@H+]32)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134046	1	55	0.0	-55.61	410.39	4.56	-51.05
CC[N@@H+]1CCOC(C(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030134083	1	52	0.0	-65.24	409.24	3.43	-61.81
CC[N@H+]1CCOC(C(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030134083	1	52	0.0	-75.08	403.77	3.26	-71.82
CC(CC1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134161	0	46	0.0	-63.60	382.85	5.38	-58.22
CC1=C[NH+]=CN1CC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030134166	1	46	0.0	-62.36	386.84	4.67	-57.69
CC(CC1CN(C(=O)C2=CN(CC[NH+](C)C)N=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134171	0	54	0.0	-80.55	437.78	3.52	-77.03
CC(CC1CN(C(=O)C2=NN(CC[NH+](C)C)C=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134186	0	54	0.0	-51.33	430.51	4.17	-47.16
CC(CC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134193	0	51	0.0	-63.38	394.03	3.59	-59.79
CC(CC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134193	1	51	0.0	-68.68	401.28	3.65	-65.03
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030134196	1	55	0.0	-56.20	443.03	5.55	-50.65
CC[C@@H]1[C@@H](C(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030134199	0	54	0.0	-60.30	411.50	3.88	-56.42
CC[C@@H]1[C@@H](C(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030134199	1	54	0.0	-59.64	415.61	4.28	-55.36
CC(CC1CN(C(=O)C[NH+]2C(C)CCC2C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134220	0	54	0.0	-55.46	413.80	4.20	-51.26
CC(CC1CN(C(=O)CCC[NH+]2CCCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134227	0	54	0.0	-62.89	425.30	4.77	-58.12
CC(CC1CN(C(=O)C2=CC=CC(C[NH+](C)C)=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134228	0	54	0.0	-74.08	432.02	5.49	-68.59
C#CC[NH+]1CCC(C(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030134236	0	53	0.0	-64.09	424.54	4.99	-59.10
CC(CC1CN(C(=O)CC[NH+]2CCCCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134237	0	54	0.0	-59.96	420.21	4.92	-55.04
CC(CC1CN(C(=O)C2=CC=CC=C2C[NH+](C)C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134242	0	54	0.0	-60.23	427.41	5.79	-54.44
CC[N@@H+]1CCCCC1C(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030134251	0	54	0.0	-57.36	403.19	4.12	-53.24
CC[N@H+]1CCCCC1C(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030134251	1	54	0.0	-57.28	416.02	4.64	-52.64
CC(C)C(C(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300030134252	0	60	0.0	-56.01	442.80	5.99	-50.02
CC(CC1CN(C(=O)C(C2=CC=CC=C2)[NH+](C)C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134255	1	54	0.0	-60.11	426.38	5.79	-54.32
CC(CC1CN(C(=O)CN2C=[NH+]C3=C2CCCC3)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134263	1	53	0.0	-61.10	428.67	6.40	-54.70
CC(CC1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134308	0	60	0.0	-76.36	435.06	5.77	-70.59
CC(CC1CN(C(=O)CC[N@H+](C)C2CCCCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134314	0	60	0.0	-59.95	454.64	6.10	-53.85
CC(CC1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134314	1	60	0.0	-61.36	455.48	5.93	-55.43
CC(CC1CN(C(=O)CC2([NH+](C)C)CCCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134317	0	57	0.0	-71.02	422.03	4.82	-66.20
CC(CC1CN(C(=O)C[N@H+](C)C2CCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134554	0	51	0.0	-58.13	403.31	4.34	-53.79
CC(CC1CN(C(=O)C[N@@H+](C)C2CCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134554	1	51	0.0	-57.73	403.18	4.32	-53.41
CC(CC1CN(C(=O)C(C)[NH+]2C(C)CCC2C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134587	0	57	0.0	-53.58	422.82	4.70	-48.88
CC(CC1CN(C(=O)CCCC[NH+]2CCCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134606	0	57	0.0	-63.98	448.40	5.67	-58.31
CC(CC1CN(C(=O)C[N@H+](C)CC2=CC=CC=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134609	1	54	0.0	-61.96	433.72	5.93	-56.03
CC(CC1CN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134609	1	54	0.0	-61.82	433.73	5.92	-55.90
CC(CC1CN(C(=O)C2CC[NH+](C)CC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134626	0	51	0.0	-62.98	398.20	3.91	-59.07
CC(CC1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134697	0	48	0.0	-57.33	381.89	3.45	-53.88
CC(CC1CN(C(=O)[C@H]2CCC[N@H+]2C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134697	1	48	0.0	-57.22	376.00	2.81	-54.41
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030134722	1	50	0.0	-65.50	404.04	4.17	-61.33
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030134722	1	50	0.0	-57.20	409.09	4.63	-52.57
CC(CC1CN(C(=O)CCC2CCC[N@@H+]2C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134732	0	54	0.0	-62.25	418.46	4.49	-57.76
CC(CC1CN(C(=O)CCC2CCC[N@H+]2C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134732	1	54	0.0	-69.19	425.64	4.97	-64.22
CC(CC1CN(C(=O)C23CCC[NH+](CCC2)C3)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134745	0	55	0.0	-62.92	406.56	4.21	-58.71
CC(CC1CN(C(=O)C2CCC3CCCC[N@@H+]32)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134753	0	55	0.0	-62.34	418.38	4.84	-57.50
CC(CC1CN(C(=O)C2CCC3CCCC[N@H+]32)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134753	1	55	0.0	-54.61	421.84	5.10	-49.51
CCC[N@@H+]1CCCC(C(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030134850	0	57	0.0	-68.31	439.64	5.21	-63.10
CCC[N@H+]1CCCC(C(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030134850	1	57	0.0	-67.87	439.40	5.26	-62.61
CC(C)[N@H+]1CCOC(C(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030134873	0	55	0.0	-62.55	418.62	3.77	-58.78
CC(C)[N@@H+]1CCOC(C(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030134873	1	55	0.0	-63.74	419.76	3.68	-60.06
CC(CC1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134892	0	58	0.0	-61.61	433.99	3.14	-58.47
CC(CC1CN(C(=O)C2CCCC[N@@H+]2C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134912	0	51	0.0	-66.40	399.98	4.04	-62.36
CC(CC1CN(C(=O)C2CCCC[N@H+]2C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134912	1	51	0.0	-64.67	388.55	3.58	-61.09
CC(C)C[N@@H+]1CCCC1C(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030134944	0	57	0.0	-64.19	440.18	5.44	-58.75
CC(C)C[N@H+]1CCCC1C(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030134944	1	57	0.0	-55.28	429.76	5.67	-49.61
CC(CC1CN(C(=O)C[NH+]2CCC(CO)CC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134965	0	55	0.0	-60.20	429.64	1.65	-58.55
CC(CC1CN(C(=O)C=C2CC3CCC(C2)[NH+]3C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135003	0	56	0.0	-70.27	431.11	5.30	-64.97
CC(CC1CN(C(=O)C2CC[N@H+](C)C2C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135024	0	51	0.0	-72.45	395.14	3.71	-68.74
CC(CC1CN(C(=O)C2CC[N@@H+](C)C2C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135024	1	51	0.0	-59.89	393.92	3.33	-56.56
CC(CC1CN(C(=O)CCC2CCCC[N@@H+]2C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135028	0	57	0.0	-58.76	430.50	5.20	-53.56
CC(CC1CN(C(=O)CCC2CCCC[N@H+]2C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135028	1	57	0.0	-61.60	430.49	5.20	-56.40
CC(CC1CN(C(=O)C2=CC3=C(CCC3)[NH+]=C2N)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135069	1	51	0.0	-52.75	407.98	3.26	-49.49
CC(CC1CN(C(=O)C2CC[N@@H+]2C(C)(C)C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135154	0	54	0.0	-55.16	418.04	4.18	-50.98
CC(CC1CN(C(=O)C2CC[N@H+]2C(C)(C)C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135154	1	54	0.0	-63.98	420.25	4.13	-59.85
CC(CC1CN(C(=O)C2CCN(C3=CC=[NH+]C=C3)C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135174	0	54	0.0	-65.48	431.43	2.80	-62.68
CC(CC1CN(C(=O)[C@H](C)[NH+](C)C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135179	0	47	0.0	-57.40	373.61	2.84	-54.56
CC(CC1CN(C(=O)C2=CC=NC(C[NH+](C)C)=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135200	1	53	0.0	-73.01	428.07	4.07	-68.94
C=CCC(C)(C(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030135206	0	54	0.0	-57.47	404.54	4.08	-53.39
CC[NH+](CC)CCSCC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030135239	0	57	0.0	-64.74	454.35	5.51	-59.23
CC(CC1CN(C(=O)C2=C(N)C3=CC=CC=C3[NH+]=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135240	1	50	0.0	-53.62	405.73	2.68	-50.94
CC(CC1CN(C(=O)CC[NH+]2CCCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135245	0	51	0.0	-60.74	405.40	4.07	-56.67
CC(CC1CN(C(=O)C[N@H+](C)CCO)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135255	1	48	0.0	-60.59	385.15	-0.24	-60.83
CC(CC1CN(C(=O)C[N@@H+](C)CCO)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135255	1	48	0.0	-58.90	384.08	-0.08	-58.98
CC(CC1CN(C(=O)C2C[N@@H+]3CCN2CCC3)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135300	0	54	0.0	-59.54	398.83	2.05	-57.49
CC(CC1CN(C(=O)C2C[N@H+]3CCN2CCC3)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135300	1	54	0.0	-60.10	404.14	1.73	-58.37
CC(CC1CN(C(=O)C(C)[NH+]2CCSCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135332	1	52	0.0	-58.59	414.92	4.48	-54.11
CC(CC1CN(C(=O)CC2=CC[N@H+](C)CC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135384	0	52	0.0	-70.09	417.29	4.79	-65.30
CC(CC1CN(C(=O)CC2=CC[N@@H+](C)CC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135384	1	52	0.0	-65.13	416.15	4.65	-60.48
CC(CC1CN(C(=O)C(O)CC[S+](C)C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135402	0	50	0.0	-54.34	416.73	1.96	-52.38
CC(CC1CN(C(=O)C2(C)CC(O)C[N@@H+]2C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135428	0	52	0.0	-59.64	398.68	-0.09	-59.73
CC(CC1CN(C(=O)C2(C)CC(O)C[N@H+]2C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135428	1	52	0.0	-74.50	398.41	0.19	-74.31
CC(CC1CN(C(=O)C2CN(C)CC[N@H+](C)C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135444	0	56	0.0	-60.45	426.95	2.25	-58.20
CC(CC1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135444	1	56	0.0	-74.07	428.95	2.05	-72.02
CC(CC1CN(C(=O)C(C)[N@@H+]2CCCC(O)C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135445	0	55	0.0	-55.07	424.79	1.52	-53.55
CC(CC1CN(C(=O)C(C)[N@H+]2CCCC(O)C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135445	1	55	0.0	-63.29	428.61	1.27	-62.02
CC(CC1CN(C(=O)C2=C(N)[NH+]=CC3=C2CCC3)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135481	0	51	0.0	-64.57	418.74	3.19	-61.38
CC(CC1CN(C(=O)CC2(O)CCC[N@H+](C)C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135488	0	55	0.0	-67.26	428.56	2.84	-64.42
CC(CC1CN(C(=O)CC2(O)CCC[N@@H+](C)C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135488	1	55	0.0	-68.82	425.70	2.93	-65.89
CC(CC1CN(C(=O)C[NH+]2CC(C)C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135495	1	48	0.0	-66.67	389.55	3.55	-63.12
CC[N@@H+]1CCCC(C(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030135503	0	54	0.0	-70.96	420.78	4.63	-66.33
CC[N@H+]1CCCC(C(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030135503	1	54	0.0	-57.47	409.90	4.70	-52.77
CC(CC1CN(C(=O)CC2=CC=C[NH+]=C2N)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135515	0	47	0.0	-60.36	391.31	2.15	-58.21
CC(CC1CN(C(=O)C2CCC[N@@H+]2C2CC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135531	0	52	0.0	-55.29	406.63	4.13	-51.16
CC(CC1CN(C(=O)C2CCC[N@H+]2C2CC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135531	1	52	0.0	-62.25	407.60	4.26	-57.99
CC(CC1CN(C(=O)C=CC[NH+]2CCCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135588	0	52	0.0	-64.42	417.51	4.60	-59.82
CC(CC1CN(C(=O)C2CC[NH+](C3CC3)CC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135617	0	55	0.0	-60.58	423.01	5.13	-55.45
CC[N@H+](C)CC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030135673	0	47	0.0	-59.28	374.80	3.00	-56.28
CC(CC1CN(C(=O)CN2CC3C=CC2C3)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135747	0	50	0.0	-56.91	396.58	4.31	-52.60
CC(CC1CN(C(=O)C[N@@H+]2CC3C=CC2C3)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135747	1	50	0.0	-56.41	395.49	4.31	-52.10
CC(CC1CN(C(=O)C[N@H+]2CC3C=CC2C3)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135747	1	50	0.0	-56.41	395.49	4.31	-52.10
CC1=CC=C(NCCC(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)N=C1	REAL300030135772	0	53	0.0	-57.75	435.07	3.89	-53.86
CC1=CC=C(NCCC(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)[NH+]=C1	REAL300030135772	1	53	0.0	-57.75	435.07	3.89	-53.86
CC(CC1CN(C(=O)C2C[NH+]3CCN2CC3)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135853	0	51	0.0	-78.52	392.88	0.78	-77.74
CC(CC1CN(C(=O)C23CCC[N@@H+]2CCCC3)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135908	0	55	0.0	-55.74	408.80	4.45	-51.29
CC(CC1CN(C(=O)C23CCC[N@H+]2CCCC3)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135908	1	55	0.0	-56.33	408.51	4.39	-51.94
CC(CC1CN(C(=O)C23CCC[N@@H+]2CC=CC3)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135920	0	53	0.0	-56.01	401.35	4.27	-51.74
CC(CC1CN(C(=O)C23CCC[N@H+]2CC=CC3)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135920	1	53	0.0	-64.25	403.14	4.28	-59.97
CC(CC1CN(C(=O)C(C)OCC[NH+](C)C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135933	0	54	0.0	-61.93	429.40	4.11	-57.82
CC(CC1CN(C(=O)CCOCC[NH+](C)C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135945	0	54	0.0	-63.95	433.89	3.15	-60.80
COCC[N@H+](C)CC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030135947	1	51	0.0	-58.89	406.33	2.32	-56.57
COCC[N@@H+](C)CC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030135947	1	51	0.0	-60.31	407.41	2.18	-58.13
CC(CC1CN(C(=O)C2C[NH+](C3CCOC3)C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135949	0	53	0.0	-62.35	422.56	2.60	-59.75
CC(CC1CN(C(=O)CCC(C)[NH+](C)C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135954	0	53	0.0	-62.74	414.42	4.09	-58.65
CC(CC1CN(C(=O)C=C2CC[NH+](C)CC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135982	0	52	0.0	-71.10	411.60	4.65	-66.45
CC[N@H+](CC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030135993	0	51	0.0	-56.38	405.65	4.36	-52.02
CC[N@@H+](CC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030135993	1	51	0.0	-56.64	403.46	4.37	-52.27
CC(CC1CN(C(=O)C2([NH+](C)C)CCCSC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135998	0	55	0.0	-72.27	413.98	4.82	-67.45
CC(CC1CN(C(=O)C2C[N@@H+]3CCN2C(C)C3)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136013	0	54	0.0	-61.21	398.02	2.47	-58.74
CC(CC1CN(C(=O)C2C[N@H+]3CCN2C(C)C3)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136013	1	54	0.0	-69.66	407.67	1.32	-68.34
CC(CC1CN(C(=O)C23CC(C2)C[N@@H+]3C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136051	0	49	0.0	-54.02	378.71	3.67	-50.35
CC(CC1CN(C(=O)C23CC(C2)C[N@H+]3C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136051	1	49	0.0	-71.33	386.51	3.65	-67.68
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030136062	1	51	0.0	-60.72	421.89	2.99	-57.73
CC(CC1CN(C(=O)C[N@@H+]2CC3CCC2C3)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136071	0	52	0.0	-56.37	402.88	4.57	-51.80
CC(CC1CN(C(=O)C[N@H+]2CC3CCC2C3)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136071	1	52	0.0	-63.86	402.18	4.26	-59.60
CC(C)[NH+]1CCC(CC(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030136087	0	60	0.0	-62.18	454.59	5.91	-56.27
CC(CC1CN(C(=O)C(C)C[NH+](C)C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136103	0	50	0.0	-60.59	392.02	3.52	-57.07
CC(CC1CN(C(=O)C2([NH+](C)C)CC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136123	0	48	0.0	-72.94	383.66	3.38	-69.56
CC(CC1CN(C(=O)[C@@H](C)[NH+](C)C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136155	0	47	0.0	-67.77	376.28	2.85	-64.92
CC[N@@H+]1CCC1C(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030136167	0	48	0.0	-57.86	387.83	3.45	-54.41
CC[N@H+]1CCC1C(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030136167	1	48	0.0	-66.39	389.79	3.49	-62.90
CC(C)[N@@H+]1CCCC(C(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030136183	0	57	0.0	-62.78	428.28	5.21	-57.57
CC(C)[N@H+]1CCCC(C(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030136183	1	57	0.0	-67.27	426.20	5.17	-62.10
CCC(C)(C)[NH2+]C(C)C(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030136208	0	56	0.0	-56.97	420.76	3.18	-53.79
C#CC[N@H+]1CCCCC1C(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030136263	1	53	0.0	-54.98	423.72	5.10	-49.88
C#CC[N@@H+]1CCCCC1C(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030136263	1	53	0.0	-62.13	424.88	5.14	-56.99
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030136267	1	50	0.0	-53.22	403.87	3.13	-50.09
CC(CC1CN(C(=O)C2=C[NH+]=CC=C2N)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136268	0	44	0.0	-70.10	364.22	0.36	-69.74
CCCC(C(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030136280	0	53	0.0	-57.36	410.30	4.36	-53.00
CC(CC1CN(C(=O)C(C)(C)[NH+](C)C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136288	0	50	0.0	-59.08	380.12	3.33	-55.75
CC(CC1CN(C(=O)C(C)CC[NH+](C)C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136314	0	53	0.0	-63.32	413.66	4.14	-59.18
CC(CC1CN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136382	0	58	0.0	-59.80	425.02	4.90	-54.90
CC(CC1CN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136382	1	58	0.0	-57.99	429.35	5.58	-52.41
CC(CC1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136422	0	53	0.0	-63.73	411.75	4.61	-59.12
CC(CC1CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136422	1	53	0.0	-52.61	405.85	5.23	-47.38
COCCCC[N@H+](C)CCC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030136473	0	60	0.0	-64.21	473.00	4.30	-59.91
COCCCC[N@@H+](C)CCC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030136473	1	60	0.0	-64.87	473.83	4.16	-60.71
CC(CC1CN(C(=O)C2CC(C)(C)C[N@@H+]2C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136485	0	54	0.0	-58.49	420.39	4.44	-54.05
CC(CC1CN(C(=O)C2CC(C)(C)C[N@H+]2C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136485	1	54	0.0	-59.42	416.46	3.99	-55.43
CC(CC1CN(C(=O)CCCCC[NH+](C)C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136491	0	56	0.0	-66.81	443.94	5.26	-61.55
CC(CC1CN(C(=O)CC[NH+]2CCC(O)CC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136496	0	55	0.0	-63.93	431.70	1.39	-62.54
CCC[N@@H+]1CCCCC1C(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030136502	0	57	0.0	-54.85	437.07	5.40	-49.45
CCC[N@H+]1CCCCC1C(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030136502	1	57	0.0	-64.75	439.12	5.35	-59.40
CC[NH+]1CCN(CCC(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030136512	0	59	0.0	-63.62	454.31	3.11	-60.51
CCN1CC[NH+](CCC(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030136512	1	59	0.0	-61.82	455.68	3.00	-58.82
CC(CC1CN(C(=O)CN2CC[NH+](C)CC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136516	1	53	0.0	-69.96	417.21	1.87	-68.09
CC(C)C[NH+]1CCC(C(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030136655	0	60	0.0	-62.71	455.93	5.90	-56.81
CC(CC1CN(C(=O)C2C[N@H+](C)CC(C)O2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136658	1	52	0.0	-76.21	404.93	3.08	-73.13
CC(CC1CN(C(=O)C2C[N@@H+](C)CC(C)O2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136658	1	52	0.0	-67.52	413.40	3.42	-64.10
CCC1CCC[N@H+](CC(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030136697	0	57	0.0	-60.47	430.49	5.01	-55.46
CCC1CCC[N@@H+](CC(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030136697	1	57	0.0	-57.44	430.18	5.56	-51.88
CC(CC1CN(C(=O)C2=CC=C(C[NH+](C)C)N2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136708	0	52	0.0	-54.59	419.64	3.46	-51.13
CC(CC1CN(C(=O)C[NH+]2CC3CC3C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136733	0	49	0.0	-58.55	392.80	4.22	-54.33
CC(CC1CN(C(=O)CC2([NH+]3CCCC3)CC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136753	0	55	0.0	-57.82	422.14	5.08	-52.74
CC(CC1CN(C(=O)C(C)[NH2+]C2(CO)CCCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136773	0	58	0.0	-60.96	423.11	-0.26	-61.22
CC(CC1CN(C(=O)C2CCCC[N@@H+]2C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136808	0	51	0.0	-66.40	399.98	4.04	-62.36
CC(CC1CN(C(=O)C2CCCC[N@H+]2C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136808	1	51	0.0	-64.67	388.55	3.58	-61.09
CC(CC1CN(C(=O)C2CC[N@@H+]2CC2=CC=CC=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136816	1	55	0.0	-57.36	440.65	5.95	-51.41
CC(CC1CN(C(=O)C2CC[N@H+]2CC2=CC=CC=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136816	1	55	0.0	-69.80	449.62	6.38	-63.42
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030136823	0	60	0.0	-57.58	445.77	6.10	-51.48
CC(C)C[N@H+]1CCCC(C(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030136823	1	60	0.0	-72.23	450.52	6.00	-66.23
CC(CC1CN(C(=O)CN2CCC([NH+](C)C)CC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136893	0	59	0.0	-71.39	451.49	3.15	-68.24
CC(CC1CN(C(=O)C=C2CC[N@H+](C)C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136973	0	49	0.0	-66.37	394.81	4.01	-62.36
CC(CC1CN(C(=O)C=C2CC[N@@H+](C)C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136973	1	49	0.0	-73.61	396.94	3.91	-69.70
CC(CC1CN(C(=O)CNC2=CC=[NH+]C=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136980	0	47	0.0	-60.59	392.79	1.61	-58.98
CC[NH+]1CCN(CC(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030137052	0	56	0.0	-63.50	433.67	2.48	-61.02
CC(CC1CN(C(=O)C=C2C[NH+]3CCC2CC3)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137055	0	53	0.0	-64.85	413.33	4.74	-60.11
CC(CC1CN(C(=O)C2([NH+](C)C)CCCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137109	0	54	0.0	-55.66	399.13	3.95	-51.71
CC(CC1CN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137126	0	55	0.0	-59.24	428.00	1.54	-57.70
CC(CC1CN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137126	1	55	0.0	-63.43	429.11	1.78	-61.65
CCC1C[NH+](CC(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030137134	0	51	0.0	-67.50	410.91	4.31	-63.19
CC(CC1CN(C(=O)C2C[NH+](C3CCOCC3)C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137138	0	56	0.0	-61.19	439.51	3.44	-57.75
CC(CC1CN(C(=O)C2([NH+]3CCCC3)CCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137140	0	55	0.0	-53.54	416.70	4.68	-48.86
CC(CC1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137157	0	48	0.0	-64.05	377.29	2.87	-61.18
CC(CC1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137157	1	48	0.0	-65.68	380.99	3.31	-62.37
CC[N@@H+]1CCOCC1CC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030137199	0	55	0.0	-71.93	421.61	2.72	-69.21
CC(CC1CN(C(=O)C2C[NH+](C3CCCCC3)C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137227	0	58	0.0	-58.10	448.57	5.70	-52.40
COC1C[N@@H+]2CCCC2(C(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030137248	0	56	0.0	-66.15	431.61	3.01	-63.14
COC1C[N@H+]2CCCC2(C(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030137248	1	56	0.0	-66.15	431.61	3.01	-63.14
CC(CC1CN(C(=O)C2=CC=C3NC(N)=NC3=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137324	0	48	0.0	-60.22	396.13	3.28	-56.94
CC(CC1CN(C(=O)C2=CC=C3NC(N)=[NH+]C3=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137324	1	48	0.0	-60.22	396.13	3.28	-56.94
CC(CC1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137377	0	51	0.0	-63.97	405.75	4.20	-59.77
CC(CC1CN(C(=O)C2(CC[NH+](C)C)CCCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137390	0	60	0.0	-71.18	454.22	5.52	-65.66
CC(CC1CN(C(=O)CC[NH+]2C(C)CCCC2C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137392	0	60	0.0	-57.56	447.71	5.44	-52.12
CC(CC1CN(C(=O)C2CCC([NH+](C)C)CC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137395	0	57	0.0	-66.83	426.68	4.81	-62.02
CC(CC1CN(C(=O)C2(CC[NH+](C)C)CC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137396	0	54	0.0	-67.34	430.31	4.80	-62.54
CC(CC1CN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137401	0	57	0.0	-65.21	426.20	4.91	-60.30
CC(CC1CN(C(=O)CC2CC=CC[N@@H+]2C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137402	0	52	0.0	-61.16	408.30	4.38	-56.78
CC(CC1CN(C(=O)CC2CC=CC[N@H+]2C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137402	1	52	0.0	-59.61	404.47	4.46	-55.15
CC1=CC(C=CC(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)=C[NH+]=C1N	REAL300030137471	1	51	0.0	-58.77	422.09	3.29	-55.48
CC(CC1CN(C(=O)COCC[NH+](C)C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137487	0	51	0.0	-64.35	412.08	3.59	-60.76
CCCCC[N@H+](C)CCC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030137494	0	59	0.0	-61.87	460.82	6.01	-55.86
CCCCC[N@@H+](C)CCC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030137494	1	59	0.0	-62.44	461.66	5.87	-56.57
CC(CC1CN(C(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137508	0	55	0.0	-65.52	431.90	4.62	-60.90
CC(CC1CN(C(=O)CN2C=CSC2=[NH2+])C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137542	0	44	0.0	-56.58	383.27	2.66	-53.92
CC(CC1CN(C(=O)[C@@H](C)OCC[NH+](C)C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137641	0	54	0.0	-71.01	429.44	4.01	-67.00
CC(CC1CN(C(=O)CC[NH+]2CCCCCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137714	0	57	0.0	-62.77	429.00	5.11	-57.66
CC(CC1CN(C(=O)C[NH+]2CCCCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137718	0	51	0.0	-58.28	398.81	4.20	-54.08
CC(CC1CN(C(=O)C2CCC[N@H+](C)C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137720	0	51	0.0	-70.96	403.60	3.99	-66.97
CC(CC1CN(C(=O)C2CCC[N@@H+](C)C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137720	1	51	0.0	-58.47	392.24	4.04	-54.43
CC(CC1CN(C(=O)C[NH+]2CCC(CO)CC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137722	0	55	0.0	-60.20	429.64	1.65	-58.55
CC(CC1CN(C(=O)C[NH+]2CCCCCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137728	0	54	0.0	-58.11	408.15	4.40	-53.71
CC(CC1CN(C(=O)C[N+]2=CN(C)C=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137735	0	46	0.0	-60.32	388.31	5.85	-54.47
CC(CC1CN(C(=O)C(C)(C)C2CCC[N@H+](C)C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137754	0	60	0.0	-80.06	439.91	5.11	-74.95
CC(CC1CN(C(=O)C(C)(C)C2CCC[N@@H+](C)C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137754	1	60	0.0	-73.20	441.45	5.11	-68.09
CC(CC1CN(C(=O)C2=CC=C(C[NH+](C)C)O2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137760	1	51	0.0	-78.85	419.69	4.03	-74.82
CC(CC1CN(C(=O)C2=CC=C(C[NH+](C)C)N=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137769	0	53	0.0	-76.14	427.52	3.58	-72.56
CC(CC1CN(C(=O)C[NH+]2CCC(O)CC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137788	1	52	0.0	-61.21	409.05	1.00	-60.21
CC(CC1CN(C(=O)C[N@H+](C)C2CC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137795	0	48	0.0	-56.99	385.65	3.88	-53.11
CC(CC1CN(C(=O)C[N@@H+](C)C2CC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137795	1	48	0.0	-57.45	386.49	3.76	-53.69
CC(CC1CN(C(=O)C(C)N2CC[NH+](C)CC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137797	1	56	0.0	-71.34	431.12	2.17	-69.17
CC(CC1CN(C(=O)CC[N@@H+]2CCC(F)C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137802	0	51	0.0	-64.87	411.45	4.14	-60.73
CC(CC1CN(C(=O)CC[N@H+]2CCC(F)C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137802	1	51	0.0	-64.95	411.41	4.13	-60.82
COC1C[N@H+](C)C(C)(C(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030137818	0	55	0.0	-64.62	418.88	2.41	-62.21
COC1C[N@@H+](C)C(C)(C(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030137818	1	55	0.0	-74.57	421.05	2.59	-71.98
CC(CC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030137845	0	53	0.0	-64.44	414.36	4.35	-60.09
CC(CC1CN(C(=O)C2CC[N@@H+]3CCOCC23)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137867	0	53	0.0	-61.77	412.86	2.45	-59.32
CC(CC1CN(C(=O)C2CC[N@H+]3CCOCC23)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137867	1	53	0.0	-61.17	413.68	2.53	-58.64
CC1=[NH+]C=C2C=CC(C(=O)N3CC(CC(C)NC(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300030137876	0	49	0.0	-67.96	404.98	5.21	-62.75
CC(CC1CN(C(=O)CC2COCC[N@@H+]2C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137897	1	52	0.0	-74.58	408.82	2.21	-72.37
CC(CC1CN(C(=O)CC2COCC[N@H+]2C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137897	1	52	0.0	-63.03	406.87	2.29	-60.74
CC[NH+]1CCN(CC(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030137910	0	56	0.0	-63.50	433.67	2.48	-61.02
CC1=CC(N)=[NH+]C=C1C(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030137979	1	47	0.0	-70.50	386.62	1.66	-68.84
CC(CC1CN(C(=O)CCC2=CC=C(N)[NH+]=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137982	0	50	0.0	-59.47	416.08	2.83	-56.64
CC(CC1CN(C(=O)C[N@@H+]2CCC(C)(O)C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138045	0	52	0.0	-66.16	414.11	0.85	-65.31
CC(CC1CN(C(=O)C[N@H+]2CCC(C)(O)C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138045	1	52	0.0	-58.81	412.46	0.85	-57.96
CC(CC1CN(C(=O)C2=CC=NN2CC[NH+](C)C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138055	0	54	0.0	-69.07	432.32	3.53	-65.54
CC(CC1CN(C(=O)CC2C[NH+](C)C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138092	0	48	0.0	-63.88	388.36	3.16	-60.72
CC(CC1CN(C(=O)C2CC[N@@H+]2C2CCCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138098	0	55	0.0	-57.61	422.19	4.85	-52.76
CC(CC1CN(C(=O)C2CC[N@H+]2C2CCCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138098	1	55	0.0	-57.83	427.83	5.17	-52.66
CC(CC1CN(C(=O)C[NH+](C)C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138108	0	44	0.0	-59.73	356.21	2.48	-57.25
CC(CC1CN(C(=O)CC[N@H+](C)CCO)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138153	0	51	0.0	-61.25	407.52	0.35	-60.90
CC(CC1CN(C(=O)CC[N@@H+](C)CCO)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138153	1	51	0.0	-61.14	406.66	0.47	-60.67
CC(CC1CN(C(=O)[C@H](C)[NH+](C)C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138154	0	47	0.0	-57.40	373.61	2.84	-54.56
CC(CC1CN(C(=O)CC2CCCC[N@@H+]2C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138180	0	54	0.0	-60.83	416.26	4.51	-56.32
CC(CC1CN(C(=O)CC2CCCC[N@H+]2C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138180	1	54	0.0	-59.32	409.90	4.53	-54.79
CC1=C2C=C(C(=O)N3CC(CC(C)NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030138213	1	49	0.0	-83.95	404.56	5.97	-77.98
CC(CC1CN(C(=O)C(C)[NH+]2CC(C)C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138214	0	51	0.0	-64.92	404.94	3.84	-61.08
CC(CC1CN(C(=O)C[N@@H+]2CCC2C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138220	0	48	0.0	-57.94	388.32	3.47	-54.47
CC(CC1CN(C(=O)C[N@H+]2CCC2C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138220	1	48	0.0	-57.86	382.26	3.27	-54.59
CC(CC1CN(C(=O)C=CC[NH+](C)C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138240	0	48	0.0	-66.57	394.17	3.56	-63.01
CC(CC1CN(C(=O)C[NH+]2CC(C)(C)C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138255	1	51	0.0	-66.86	408.77	4.00	-62.86
CC(CC1CN(C(=O)CCCC[NH+]2CCCCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138269	0	60	0.0	-64.13	463.61	6.34	-57.79
CC1=C(C)[NH+]=C(CCC(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030138284	1	52	0.0	-56.58	427.31	3.63	-52.95
CC(CC1CN(C(=O)C2(C3CC[NH+](C)CC3)CC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138297	0	58	0.0	-80.83	446.45	6.10	-74.73
CC1=C2C=C(C(=O)N3CC(CC(C)NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030138307	1	49	0.0	-83.95	404.56	5.97	-77.98
CC(CC1CN(C(=O)CSCC[NH+](C)C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138319	0	51	0.0	-66.77	423.10	4.42	-62.35
CC(CC1CN(C(=O)C2=CC3=C(CCCC3)[NH+]=C2N)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138343	1	54	0.0	-54.50	426.28	3.70	-50.80
CC(CC1CN(C(=O)C[N@@H+]2CCCC2CO)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138351	0	52	0.0	-57.48	405.87	0.53	-56.95
CC(CC1CN(C(=O)C[N@H+]2CCCC2CO)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138351	1	52	0.0	-64.82	404.07	1.00	-63.82
CC[NH+](CC)CC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030138354	0	50	0.0	-58.11	388.66	3.41	-54.70
CC(CC1CN(C(=O)C[N@H+](C)C2CCSC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138367	0	52	0.0	-63.70	417.84	4.56	-59.14
CC(CC1CN(C(=O)C[N@@H+](C)C2CCSC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138367	1	52	0.0	-63.01	415.58	4.72	-58.29
CC(CC1CN(C(=O)C[NH+]2CCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138369	1	45	0.0	-67.17	368.16	2.83	-64.34
CC[NH+](CC)CCC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030138430	0	53	0.0	-59.80	409.81	4.13	-55.67
CC(CC1CN(C(=O)C[NH+]2CCC(C(N)=O)CC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138456	0	55	0.0	-67.52	433.87	1.02	-66.50
CC(CC1CN(C(=O)C2=CC(C[NH+](C)C)=CN2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138513	0	52	0.0	-74.36	420.22	3.72	-70.64
CC(CC1CN(C(=O)C(C)[NH+]2CCC(O)CC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138538	0	55	0.0	-59.53	421.18	1.13	-58.40
CC(CC1CN(C(=O)C2CC3COCC[N@@H+]3C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138546	0	53	0.0	-66.71	413.59	2.60	-64.11
CC(CC1CN(C(=O)C2CC3COCC[N@H+]3C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138546	1	53	0.0	-61.63	414.75	2.67	-58.96
CC(CC1CN(C(=O)C(C)[NH+]2CCC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138565	0	48	0.0	-68.88	380.17	3.12	-65.76
CCC(CC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030138576	0	56	0.0	-64.28	429.90	5.16	-59.12
CC(CC1CN(C(=O)C=CC2=CC=C(N)[NH+]=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138585	0	48	0.0	-63.84	404.36	2.55	-61.29
CC(CC1CN(C(=O)C(C)(C)C[NH+](C)C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138586	0	53	0.0	-60.59	399.76	3.75	-56.84
CC(CC1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138665	0	51	0.0	-66.38	399.98	4.04	-62.34
CC(CC1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138665	1	51	0.0	-64.66	388.62	3.59	-61.07
CC(CC1CN(C(=O)C2C[N@@H+]3CCN2CC3C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138682	0	54	0.0	-64.36	408.38	1.19	-63.17
CC(CC1CN(C(=O)C2C[N@H+]3CCN2CC3C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138682	1	54	0.0	-68.31	406.18	1.12	-67.19
CC(CC1CN(C(=O)CC(O)C[NH+](C)C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138712	0	51	0.0	-65.42	408.82	1.54	-63.88
CC(CC1CN(C(=O)C2CC3CCC(C2)[NH+]3C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138715	0	55	0.0	-61.45	394.35	4.52	-56.93
C=CCC(C(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030138766	0	51	0.0	-56.58	402.80	4.13	-52.45
CC(CC1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138779	0	55	0.0	-60.89	424.04	5.06	-55.83
CC(CC1CN(C(=O)C2CC3CCCC[N@H+]3C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138779	1	55	0.0	-57.46	422.00	4.98	-52.48
CC(CC1CN(C(=O)C2(C)CC[NH+](C)CC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138795	0	54	0.0	-66.00	407.92	3.95	-62.05
CC(CC1CN(C(=O)CC2(O)CC[NH+](C)CC2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138800	0	55	0.0	-73.67	428.74	2.74	-70.93
COCC[N@@H+]1CCCC1CC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030138816	0	58	0.0	-67.21	454.01	4.11	-63.10
COCC[N@H+]1CCCC1CC(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030138816	1	58	0.0	-69.16	449.54	3.44	-65.72
CC(CC1CN(C(=O)CC2CC3CCC(C2)[NH+]3C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138831	0	58	0.0	-65.39	422.75	4.80	-60.59
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=CC=NN1CC[NH+](C)C	REAL300030138872	0	54	0.0	-66.68	434.08	3.80	-62.88
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1(C2CC[NH+](C)CC2)CC1	REAL300030138919	0	58	0.0	-61.44	443.39	5.89	-55.55
CC1=C2C=C(C(=O)NC(C)CC3CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030138931	1	49	0.0	-64.86	406.85	6.41	-58.45
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CSCC[NH+](C)C	REAL300030138942	0	51	0.0	-69.90	422.00	4.14	-65.76
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CC2COCC[N@@H+]2C1	REAL300030138954	0	53	0.0	-65.22	410.98	2.55	-62.67
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1CC2COCC[N@H+]2C1	REAL300030138954	1	53	0.0	-72.28	414.69	2.62	-69.66
C[N@@H+]1CCCC1C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030139119	0	52	0.0	-63.78	375.36	4.77	-59.01
C[N@H+]1CCCC1C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030139119	1	52	0.0	-64.27	376.21	4.85	-59.42
C[N@@H+]1CCOC(C(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030139143	1	53	0.0	-78.62	386.39	4.25	-74.37
C[N@H+]1CCOC(C(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030139143	1	53	0.0	-75.03	379.46	4.06	-70.97
CC(C)[N@@H+]1CCCC1C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030139299	0	58	0.0	-63.08	408.43	5.90	-57.18
CC(C)[N@H+]1CCCC1C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030139299	1	58	0.0	-62.08	400.89	6.00	-56.08
CC1=[NH+]C=CN1CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030139332	1	50	0.0	-65.28	381.86	5.56	-59.72
O=C(C1=CC(=O)[N-]O1)N1CCCC2CN(C(=O)C3C[NH+]4CCC3CC4)CCC21	REAL300030139360	0	56	0.0	-75.57	391.39	5.52	-70.05
C[C@@H]1[C@H](C(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030139394	0	55	0.0	-67.55	388.25	5.18	-62.37
C[C@@H]1[C@H](C(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030139394	1	55	0.0	-71.61	392.62	5.69	-65.92
CC[C@@H]1[C@@H](C(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030139396	0	58	0.0	-70.90	405.64	5.41	-65.49
CC[C@@H]1[C@@H](C(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030139396	1	58	0.0	-66.83	411.38	5.86	-60.97
CC[N@@H+]1CCOC(C(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030139403	1	56	0.0	-89.95	405.19	4.91	-85.04
CC[N@H+]1CCOC(C(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030139403	1	56	0.0	-69.17	403.63	4.78	-64.39
CC[NH+](CC)CC(F)C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030139431	0	57	0.0	-71.26	414.07	5.80	-65.46
CC1CCC(C)[NH+]1CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030139467	0	58	0.0	-63.44	410.29	5.91	-57.53
O=C(CCC[NH+]1CCCC1)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030139470	0	58	0.0	-69.15	421.49	6.37	-62.78
O=C(CC[NH+]1CCCCC1)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030139473	0	58	0.0	-68.38	417.51	6.48	-61.90
CC[N@@H+]1CCCCC1C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030139476	0	58	0.0	-66.45	403.46	5.83	-60.62
CC[N@H+]1CCCCC1C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030139476	1	58	0.0	-61.35	411.18	6.13	-55.22
C[NH+](C)C1(C(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300030139487	0	55	0.0	-63.20	378.58	4.79	-58.41
CC(C)[C@@H](C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030139494	0	57	0.0	-62.94	395.96	5.56	-57.38
C[N@H+](CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030139519	0	55	0.0	-65.53	399.72	5.99	-59.54
C[N@@H+](CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030139519	1	55	0.0	-65.83	399.37	5.87	-59.96
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030139595	1	54	0.0	-65.60	398.59	5.76	-59.84
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030139595	1	54	0.0	-72.19	405.82	6.18	-66.01
C[N@@H+]1CCCC1CCC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030139600	0	58	0.0	-71.41	420.67	6.44	-64.97
C[N@H+]1CCCC1CCC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030139600	1	58	0.0	-68.87	414.48	5.95	-62.92
C[NH+]1CCC(C(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030139620	0	55	0.0	-71.03	395.95	5.49	-65.54
C[N@@H+]1CCCCC1C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030139659	0	55	0.0	-64.76	382.49	5.02	-59.74
C[N@H+]1CCCCC1C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030139659	1	55	0.0	-62.46	394.33	5.57	-56.89
O=C(C1=CC(=O)[N-]O1)N1CCCC2CN(C(=O)C3=CN4C=[NH+]C=C4C=C3)CCC21	REAL300030139729	0	50	0.0	-69.26	380.83	7.01	-62.25
O=C(CC[NH+]1CCOCC1)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030139736	1	56	0.0	-71.41	408.78	4.07	-67.34
CC1=C[NH+]=CN1CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030139749	1	50	0.0	-65.98	382.18	6.29	-59.69
O=C(C1=CC(=O)[N-]O1)N1CCCC2CN(C(=O)C34CCC[NH+]3CCC4)CCC21	REAL300030139770	0	56	0.0	-63.81	391.67	5.35	-58.46
C[N@@H+]1CCC(CC(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030139781	0	55	0.0	-71.93	399.60	5.57	-66.36
C[N@H+]1CCC(CC(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030139781	1	55	0.0	-70.57	400.18	5.67	-64.90
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030139787	0	54	0.0	-68.10	402.14	4.00	-64.10
CCC(C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030139789	0	54	0.0	-65.73	378.89	4.85	-60.88
O=C(C1=CC(=O)[N-]O1)N1CCCC2CN(C(=O)C3=CC4=C[NH+]=CN4C=C3)CCC21	REAL300030139816	1	50	0.0	-74.31	382.17	7.07	-67.24
C[NH+](C)CCCCC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030139848	0	57	0.0	-70.99	418.87	6.19	-64.80
CC(C)C(C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030139862	0	57	0.0	-64.09	396.76	5.63	-58.46
CCC[N@H+](C)CCC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030139863	0	57	0.0	-69.95	414.85	5.91	-64.04
CCC[N@@H+](C)CCC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030139863	1	57	0.0	-69.71	414.85	5.91	-63.80
CCC[N@H+](C)CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030139867	0	54	0.0	-67.51	392.72	5.42	-62.09
CCC[N@@H+](C)CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030139867	1	54	0.0	-67.33	392.73	5.41	-61.92
O=C(C1=CC(=O)[N-]O1)N1CCCC2CN(C(=O)C34CC[N@H+](C3)CCC4)CCC21	REAL300030139882	0	56	0.0	-67.72	387.25	4.79	-62.93
O=C(C1=CC(=O)[N-]O1)N1CCCC2CN(C(=O)C34CC[N@@H+](C3)CCC4)CCC21	REAL300030139882	1	56	0.0	-67.60	387.11	4.76	-62.84
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030139908	0	52	0.0	-64.02	372.19	4.45	-59.57
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030139908	1	52	0.0	-64.73	377.08	4.71	-60.02
CC[NH+](CC)CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030139943	0	54	0.0	-65.41	385.07	5.08	-60.33
CC1CC[NH+](CC(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030140004	0	58	0.0	-67.22	416.36	6.49	-60.73
C[NH+](C)CC1(C(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030140026	0	55	0.0	-60.91	401.81	5.53	-55.38
C[NH+]1CCC(C(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030140079	0	55	0.0	-71.03	395.95	5.49	-65.54
CC(C)[C@H](C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030140095	0	57	0.0	-62.70	401.11	5.42	-57.28
CCC(C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030140123	0	60	0.0	-65.93	413.36	6.06	-59.87
CC[N@H+](C)CCC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140164	0	54	0.0	-69.30	393.35	5.16	-64.14
CC[N@@H+](C)CCC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140164	1	54	0.0	-69.12	393.35	5.16	-63.96
CC1CCC[N@@H+]1CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140194	0	55	0.0	-64.12	399.56	5.68	-58.44
CC1CCC[N@H+]1CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140194	1	55	0.0	-64.72	398.51	5.67	-59.05
CC1CC[N@H+](CC(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030140196	0	55	0.0	-66.10	398.54	5.55	-60.55
CC1CC[N@@H+](CC(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030140196	1	55	0.0	-66.28	399.37	5.65	-60.63
CC1(C)CC[N@H+](CC(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030140200	0	58	0.0	-66.24	418.55	6.27	-59.97
CC1(C)CC[N@@H+](CC(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030140200	1	58	0.0	-66.16	418.41	6.25	-59.91
C[N@H+](CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030140201	0	60	0.0	-67.08	421.99	6.47	-60.61
C[N@@H+](CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030140201	1	60	0.0	-66.29	423.53	6.46	-59.83
CC[C@@H](C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030140209	0	54	0.0	-63.95	381.09	4.90	-59.05
C[NH+](C)CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140313	0	48	0.0	-68.11	353.51	4.00	-64.11
O=C(C[NH+]1CCCCCC1)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140317	0	58	0.0	-65.90	404.17	5.95	-59.95
CN1C=C[N+](CC(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030140320	0	50	0.0	-64.58	384.74	7.52	-57.06
C[N@@H+]1CCCC(C(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030140325	0	55	0.0	-76.99	394.45	5.27	-71.72
C[N@H+]1CCCC(C(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030140325	1	55	0.0	-69.05	387.69	5.49	-63.56
O=C(C1=CC(=O)[N-]O1)N1CCCC2CN(C(=O)C3CCC[N@@H+]3C3CC3)CCC21	REAL300030140330	0	56	0.0	-61.54	404.52	5.87	-55.67
O=C(C1=CC(=O)[N-]O1)N1CCCC2CN(C(=O)C3CCC[N@H+]3C3CC3)CCC21	REAL300030140330	1	56	0.0	-62.36	401.02	5.70	-56.66
CC(C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030140346	1	52	0.0	-62.13	369.92	4.26	-57.87
CCC(CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030140350	0	60	0.0	-69.78	424.74	6.56	-63.22
C[NH+](C)CC(C)(C)C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140355	0	57	0.0	-67.36	390.75	5.09	-62.27
O=C(C[NH+]1CCC(O)CC1)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140370	1	56	0.0	-71.40	406.63	2.51	-68.89
C[N@H+](CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030140371	0	52	0.0	-64.82	382.77	5.41	-59.41
C[N@@H+](CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030140371	1	52	0.0	-65.39	382.66	5.31	-60.08
C[NH+]1CC(CC(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030140387	0	52	0.0	-68.26	384.60	4.77	-63.49
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140398	0	58	0.0	-62.69	392.39	5.03	-57.66
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140398	1	58	0.0	-62.82	413.75	5.56	-57.26
C[C@@H](C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030140409	0	51	0.0	-64.11	368.12	4.23	-59.88
[NH2+]=C1SC=CN1CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140468	0	48	0.0	-62.14	380.55	4.18	-57.96
C[N@H+](CCO)CCC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140475	0	55	0.0	-68.49	403.70	1.94	-66.55
C[N@@H+](CCO)CCC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140475	1	55	0.0	-69.28	403.53	1.95	-67.33
C[C@@H](C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030140476	0	51	0.0	-64.11	368.12	4.23	-59.88
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140480	0	55	0.0	-64.77	382.47	5.04	-59.73
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140480	1	55	0.0	-65.33	393.99	5.58	-59.75
O=C(C[NH+]1CCC1)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140530	1	49	0.0	-67.80	363.54	4.37	-63.43
C[N@@H+]1CCC(=CC(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030140549	0	53	0.0	-72.07	390.00	5.50	-66.57
C[N@H+]1CCC(=CC(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030140549	1	53	0.0	-73.68	390.54	5.61	-68.07
C[NH+](C)CCOCC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140572	0	55	0.0	-69.92	409.35	5.10	-64.82
C=CCC(C)(C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030140586	0	58	0.0	-62.95	400.31	5.61	-57.34
C[S+](C)CCC(O)C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140590	0	54	0.0	-65.75	414.09	3.36	-62.39
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140609	0	56	0.0	-67.62	394.34	1.39	-66.23
CC1CN(CC(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030140628	0	52	0.0	-67.17	384.83	5.11	-62.06
CC1C[NH+](CC(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030140628	1	52	0.0	-67.17	384.83	5.11	-62.06
CN(CCO)CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140646	0	52	0.0	-67.30	381.58	1.44	-65.86
C[N@H+](CCO)CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140646	1	52	0.0	-67.91	381.61	1.42	-66.49
C[N@@H+](CCO)CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140646	1	52	0.0	-67.91	381.61	1.42	-66.49
CC[N@@H+]1CCCC(C(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030140666	0	58	0.0	-65.63	412.44	5.97	-59.66
CC[N@H+]1CCCC(C(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030140666	1	58	0.0	-65.63	412.44	5.97	-59.66
CC(CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030140668	0	57	0.0	-70.74	410.69	6.06	-64.68
CC[N@H+](C)CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140673	0	51	0.0	-67.02	371.23	4.67	-62.35
CC[N@H+](CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030140706	0	55	0.0	-65.38	394.61	5.82	-59.56
CC[NH+](CC)CCC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140716	0	57	0.0	-67.95	411.40	5.99	-61.96
CC1(C)CN(CC(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030140734	0	55	0.0	-67.51	403.88	5.57	-61.94
CC1(C)C[NH+](CC(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030140734	1	55	0.0	-67.51	403.88	5.57	-61.94
CC1(O)CC[N@H+](CC(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030140752	0	56	0.0	-66.61	409.59	2.26	-64.35
C[NH+](C)CC=CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140756	0	52	0.0	-74.28	388.48	5.25	-69.03
CC(OCC[NH+](C)C)C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140765	0	58	0.0	-65.36	424.46	5.45	-59.91
C[NH+](C)CCOCCC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140771	0	58	0.0	-69.84	429.99	4.77	-65.07
COCCN(C)CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140772	0	55	0.0	-67.92	403.46	3.87	-64.05
COCC[N@H+](C)CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140772	1	55	0.0	-67.35	403.83	3.84	-63.51
COCC[N@@H+](C)CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140772	1	55	0.0	-67.35	403.83	3.84	-63.51
C[NH+](C)C1(C(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030140792	0	58	0.0	-66.69	389.22	5.49	-61.20
CC(CCC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030140794	0	57	0.0	-68.35	406.13	5.72	-62.63
CCN1CCC1C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140800	0	52	0.0	-65.40	377.21	4.71	-60.69
CC[N@@H+]1CCC1C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140800	1	52	0.0	-65.51	376.68	4.64	-60.87
CC[N@H+]1CCC1C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140800	1	52	0.0	-65.51	376.68	4.64	-60.87
O=C(C[N@H+]1CCCC1CO)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140813	0	56	0.0	-65.37	407.32	2.38	-62.99
C[NH+]1CCC(C)(C(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030140835	0	58	0.0	-78.10	400.78	5.39	-72.71
C=CCC(C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030140854	0	55	0.0	-66.29	395.27	5.44	-60.85
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140861	0	58	0.0	-63.11	415.46	5.86	-57.25
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140861	1	58	0.0	-67.92	412.36	5.59	-62.33
C[NH+](C)CCCCCC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140863	0	60	0.0	-70.89	440.37	6.97	-63.92
O=C(C[NH+]1CC2CC2C1)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140868	0	53	0.0	-66.95	388.94	5.88	-61.07
CCCC(C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030140884	0	57	0.0	-67.27	403.01	5.68	-61.59
C[NH+](C)C(C)(C)C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140887	0	54	0.0	-61.26	374.42	4.49	-56.77
C[N@@H+]1CCCCC1C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140913	0	55	0.0	-64.76	382.49	5.02	-59.74
C[N@H+]1CCCCC1C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140913	1	55	0.0	-62.46	394.33	5.57	-56.89
C[N@H+]1CC=C(CC(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030140937	0	56	0.0	-69.00	412.64	6.38	-62.62
C[N@@H+]1CC=C(CC(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030140937	1	56	0.0	-67.90	412.36	6.27	-61.63
O=C(C=CC[NH+]1CCCC1)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140977	0	56	0.0	-72.79	413.10	6.32	-66.47
C[NH+](C)C1(C(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030141008	0	52	0.0	-69.07	375.76	4.47	-64.60
O=C(CC[NH+]1CCCC1)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030141010	0	55	0.0	-68.50	401.84	5.78	-62.72
O=C(C1=CC(=O)[N-]O1)N1CCCC2CN(C(=O)C3C[NH+]4CCN3CC4)CCC21	REAL300030141034	0	55	0.0	-67.16	386.47	2.10	-65.06
C[N@@H+]1CC2CC1(C(=O)N1CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030141039	0	53	0.0	-68.19	380.19	4.89	-63.30
C[N@H+]1CC2CC1(C(=O)N1CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030141039	1	53	0.0	-69.61	379.84	5.00	-64.61
O=C(C[N@@H+]1CC2CCC1C2)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030141046	0	56	0.0	-64.76	399.72	5.99	-58.77
O=C(C[N@H+]1CC2CCC1C2)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030141046	1	56	0.0	-63.95	397.54	5.79	-58.16
O=C(C[N@@H+]1CC2C=CC1C2)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030141086	1	54	0.0	-64.91	392.03	5.75	-59.16
O=C(C[N@H+]1CC2C=CC1C2)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030141086	1	54	0.0	-64.68	392.89	5.91	-58.77
CC(C[NH+](C)C)C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030141118	0	54	0.0	-70.37	391.07	5.07	-65.30
C[N@@H+]1CCCCC1CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030141168	0	58	0.0	-70.19	412.31	6.09	-64.10
C[N@H+]1CCCCC1CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030141168	1	58	0.0	-63.91	405.26	6.11	-57.80
CC(C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300030141178	0	55	0.0	-72.89	400.06	5.45	-67.44
CC1CC[N@@H+]1CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030141180	1	52	0.0	-66.63	384.78	5.06	-61.57
CC1CC[N@H+]1CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030141180	1	52	0.0	-66.64	384.84	5.07	-61.57
C[NH+](C)CC(O)CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030141183	0	55	0.0	-73.12	406.20	3.03	-70.09
CC1C[N@H+](C)CC(C(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030141203	1	56	0.0	-73.41	401.40	4.59	-68.82
CC1C[N@@H+](C)CC(C(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030141203	1	56	0.0	-62.23	400.08	4.81	-57.42
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030141250	0	55	0.0	-66.36	402.37	5.73	-60.63
CC(CC[NH+](C)C)C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030141256	0	57	0.0	-77.43	410.02	5.55	-71.88
C[NH+]1CCN(CC(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030141275	1	57	0.0	-70.58	412.27	3.39	-67.19
NC(=[NH2+])SCC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030141299	0	46	0.0	-69.06	361.42	1.04	-68.02
C[NH+](C)CCC1(C(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030141328	0	58	0.0	-75.19	425.56	6.29	-68.90
C[N@@H+]1CC=CCC1CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030141329	0	56	0.0	-60.45	399.78	6.06	-54.39
C[N@H+]1CC=CCC1CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030141329	1	56	0.0	-71.08	404.25	6.00	-65.08
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030141342	0	58	0.0	-65.28	424.40	5.46	-59.82
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030141433	0	52	0.0	-68.15	371.90	4.55	-63.60
O=C(CC[N@H+]1CCC(F)C1)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030141439	0	55	0.0	-73.47	407.83	5.76	-67.71
CC1C(C(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030141458	0	55	0.0	-65.95	386.73	5.19	-60.76
CC1C(C(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030141458	1	55	0.0	-65.95	386.73	5.19	-60.76
CN1CCOCC1CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030141487	0	56	0.0	-62.56	396.65	3.73	-58.83
C[N@@H+]1CCOCC1CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030141487	1	56	0.0	-72.50	403.82	3.79	-68.71
C[N@H+]1CCOCC1CC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030141487	1	56	0.0	-72.50	403.82	3.79	-68.71
C[N@@H+]1CCCC1C(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030141658	0	52	0.0	-68.73	375.99	4.85	-63.88
O=C(CCN1CCOCC1)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030141836	0	56	0.0	-76.72	408.95	4.08	-72.64
O=C(CC[NH+]1CCOCC1)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030141836	1	56	0.0	-76.72	408.95	4.08	-72.64
O=C(C1=CC(=O)[N-]O1)N1CCC2C(CCCN2C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300030141849	1	50	0.0	-80.06	381.06	7.18	-72.88
C[N@@H+]1CCC(CC(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)C1	REAL300030141877	0	55	0.0	-75.75	399.74	5.57	-70.18
C[N@H+]1CCC(CC(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)C1	REAL300030141877	1	55	0.0	-74.87	400.03	5.65	-69.22
CCC(C(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21)[NH+](C)C	REAL300030141884	0	54	0.0	-71.93	383.96	5.01	-66.92
C[NH+](C)CCCCC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030141919	0	57	0.0	-75.27	418.88	6.16	-69.11
CCC[N@H+](C)CCC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030141934	0	57	0.0	-74.98	415.27	6.03	-68.95
CCC[N@@H+](C)CCC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030141934	1	57	0.0	-75.08	415.27	6.03	-69.05
CCC[N@H+](C)CC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030141937	0	54	0.0	-72.67	392.44	5.28	-67.39
CCC[N@@H+](C)CC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030141937	1	54	0.0	-72.84	392.44	5.30	-67.54
O=C(C1=CC(=O)[N-]O1)N1CCC2C(CCCN2C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300030141949	0	56	0.0	-75.19	386.24	4.74	-70.45
O=C(C1=CC(=O)[N-]O1)N1CCC2C(CCCN2C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300030141949	1	56	0.0	-83.49	385.29	4.65	-78.84
CC1CC[NH+](CC(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)CC1	REAL300030141979	0	58	0.0	-73.08	416.26	6.50	-66.58
C[NH+](C)CC1(C(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)CC1	REAL300030142010	0	55	0.0	-77.18	400.23	5.41	-71.77
CC[N@H+](C)CCC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030142026	0	54	0.0	-74.20	393.77	5.29	-68.91
CC[N@@H+](C)CCC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030142026	1	54	0.0	-74.86	393.42	5.18	-69.68
O=C(C1=CC(=O)[N-]O1)N1CCC2C(CCCN2C(=O)C2C[NH+]3CCC2CC3)C1	REAL300030142043	0	56	0.0	-77.70	389.86	5.52	-72.18
C[NH+]1CCC(C(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)CC1	REAL300030142083	0	55	0.0	-78.43	394.16	5.37	-73.06
CC[NH+](CC)CC(F)C(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030142145	0	57	0.0	-71.27	411.26	5.65	-65.62
CCC(C(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21)[NH+](CC)CC	REAL300030142178	0	60	0.0	-65.98	416.82	6.21	-59.77
CC1CCC[N@@H+]1CC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030142188	0	55	0.0	-68.78	392.34	5.38	-63.40
CC1CCC[N@H+]1CC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030142188	1	55	0.0	-70.62	398.70	5.77	-64.85
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030142230	0	58	0.0	-71.79	404.17	6.24	-65.55
CC(C)[N@H+]1CCCC1C(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030142230	1	58	0.0	-68.47	409.32	5.84	-62.63
CC1CC[N@H+](CC(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)C1	REAL300030142250	0	55	0.0	-72.25	399.29	5.61	-66.64
CC1CC[N@@H+](CC(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)C1	REAL300030142250	1	55	0.0	-71.48	399.35	5.62	-65.86
CC1(C)CC[N@H+](CC(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)C1	REAL300030142253	0	58	0.0	-71.18	418.35	6.14	-65.04
CC1(C)CC[N@@H+](CC(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)C1	REAL300030142253	1	58	0.0	-72.05	419.16	6.26	-65.79
C[N@H+](CC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21)CC(C)(C)C	REAL300030142254	0	60	0.0	-72.63	423.41	6.44	-66.19
C[N@@H+](CC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21)CC(C)(C)C	REAL300030142254	1	60	0.0	-72.80	423.54	6.45	-66.35
CC[C@@H](C(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21)[NH+](C)C	REAL300030142261	0	54	0.0	-71.89	383.43	4.92	-66.97
CC1=[NH+]C=CN1CC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030142372	1	50	0.0	-67.65	382.64	5.49	-62.16
CC[N@@H+]1CCOC(C(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)C1	REAL300030142428	1	56	0.0	-79.43	396.87	4.48	-74.95
CC[N@H+]1CCOC(C(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)C1	REAL300030142428	1	56	0.0	-83.05	404.70	4.67	-78.38
O=C(C1=CC(=O)[N-]O1)N1CCC2C(CCCN2C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300030142452	0	50	0.0	-75.09	380.81	7.16	-67.93
CC1=C[NH+]=CN1CC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030142455	1	50	0.0	-71.73	382.98	6.22	-65.51
C[C@@H]1[C@H](C(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)CC[N@@H+]1C	REAL300030142461	0	55	0.0	-76.48	389.51	5.18	-71.30
C[C@@H]1[C@H](C(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)CC[N@H+]1C	REAL300030142461	1	55	0.0	-76.19	394.06	5.66	-70.53
CC[C@@H]1[C@@H](C(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)CC[N@@H+]1C	REAL300030142463	0	58	0.0	-74.28	408.20	5.43	-68.85
CC[C@@H]1[C@@H](C(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)CC[N@H+]1C	REAL300030142463	1	58	0.0	-75.59	411.03	5.83	-69.76
CC1CCC(C)[NH+]1CC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030142469	0	58	0.0	-68.27	410.81	5.92	-62.35
O=C(CCC[NH+]1CCCC1)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030142472	0	58	0.0	-72.95	423.51	6.60	-66.35
O=C(CC[NH+]1CCCCC1)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030142475	0	58	0.0	-73.38	417.68	6.50	-66.88
C[N@H+](CC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21)C1CCC1	REAL300030142557	0	55	0.0	-69.53	399.50	5.88	-63.65
C[N@@H+](CC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21)C1CCC1	REAL300030142557	1	55	0.0	-70.88	399.45	5.88	-65.00
C[NH+]1CCC(C(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)CC1	REAL300030142586	0	55	0.0	-78.43	394.16	5.37	-73.06
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030142610	0	52	0.0	-70.58	372.01	4.41	-66.17
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030142610	1	52	0.0	-69.22	373.02	4.64	-64.58
C[N@@H+]1CCCC1CCC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030142629	0	58	0.0	-77.81	420.97	6.54	-71.27
C[N@H+]1CCCC1CCC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030142629	1	58	0.0	-71.77	414.59	5.97	-65.80
CC1C(C(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)CC[N@@H+]1C	REAL300030142737	0	55	0.0	-77.56	388.04	5.57	-71.99
CC1C(C(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)CC[N@H+]1C	REAL300030142737	1	55	0.0	-79.05	388.58	5.00	-74.05
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030142781	0	58	0.0	-69.91	413.70	5.60	-64.31
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030142781	1	58	0.0	-69.23	394.64	4.76	-64.47
C[C@@H](C(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21)[NH+](C)C	REAL300030142795	0	51	0.0	-71.93	368.04	4.20	-67.73
C=CCC(C)(C(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21)[NH+](C)C	REAL300030142809	0	58	0.0	-65.08	397.84	5.36	-59.72
O=C(CC[NH+]1CCCC1)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030142826	0	55	0.0	-74.21	400.25	5.66	-68.55
C[N@H+](CCO)CC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030142835	1	52	0.0	-73.97	381.30	1.32	-72.65
C[N@@H+](CCO)CC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030142835	1	52	0.0	-73.00	381.31	1.32	-71.68
C[N@H+]1CC=C(CC(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)CC1	REAL300030142886	0	56	0.0	-69.24	412.81	6.39	-62.85
C[N@@H+]1CC=C(CC(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)CC1	REAL300030142886	1	56	0.0	-68.67	412.47	6.26	-62.41
C[S+](C)CCC(O)C(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030142894	0	54	0.0	-83.07	413.93	3.27	-79.80
CC1C[NH+](CC(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)C1	REAL300030142934	1	52	0.0	-72.23	384.94	5.11	-67.12
CC[N@@H+]1CCCC(C(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)C1	REAL300030142938	0	58	0.0	-72.79	412.64	6.10	-66.69
CC[N@H+]1CCCC(C(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)C1	REAL300030142938	1	58	0.0	-63.60	404.22	6.09	-57.51
NC1=[NH+]C=CC=C1CC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030142942	0	51	0.0	-66.16	387.46	3.75	-62.41
O=C(C1=CC(=O)[N-]O1)N1CCC2C(CCCN2C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300030142948	0	56	0.0	-75.57	404.56	5.80	-69.77
O=C(C1=CC(=O)[N-]O1)N1CCC2C(CCCN2C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300030142948	1	56	0.0	-72.22	400.79	5.69	-66.53
O=C(C=CC[NH+]1CCCC1)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030142974	0	56	0.0	-75.56	414.78	6.43	-69.13
CC[N@H+](C)CC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143009	0	51	0.0	-72.46	370.95	4.56	-67.90
O=C(CN1CC2C=CC1C2)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143039	0	54	0.0	-70.60	393.01	6.00	-64.60
O=C(C[N@@H+]1CC2C=CC1C2)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143039	1	54	0.0	-70.44	392.40	5.85	-64.59
O=C(C[N@H+]1CC2C=CC1C2)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143039	1	54	0.0	-70.44	392.40	5.85	-64.59
CC(OCC[NH+](C)C)C(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143116	0	58	0.0	-72.84	424.36	5.31	-67.53
C[NH+](C)CCOCCC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143123	0	58	0.0	-73.02	430.35	4.85	-68.17
COCCN(C)CC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143125	0	55	0.0	-72.62	403.56	3.73	-68.89
COCC[N@H+](C)CC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143125	1	55	0.0	-74.41	403.55	3.72	-70.69
COCC[N@@H+](C)CC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143125	1	55	0.0	-74.41	403.55	3.72	-70.69
CC(CCC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21)[NH+](C)C	REAL300030143128	0	57	0.0	-72.57	410.57	5.77	-66.80
CC[N@H+](CC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21)C1CC1	REAL300030143143	0	55	0.0	-69.56	399.34	5.87	-63.69
O=C(C[N@@H+]1CC2CCC1C2)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143173	0	56	0.0	-71.41	399.96	6.10	-65.31
O=C(C[N@H+]1CC2CCC1C2)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143173	1	56	0.0	-71.41	399.96	6.10	-65.31
CC(C[NH+](C)C)C(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143187	0	54	0.0	-70.53	389.82	5.13	-65.40
CCN1CCC1C(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143217	0	52	0.0	-72.90	384.71	4.82	-68.08
CC[N@@H+]1CCC1C(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143217	1	52	0.0	-71.98	384.16	4.97	-67.01
CC[N@H+]1CCC1C(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143217	1	52	0.0	-71.98	384.16	4.97	-67.01
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143226	0	60	0.0	-71.22	418.06	4.72	-66.50
CNC1=NC(C)=CC=C1C(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143251	0	54	0.0	-66.87	404.20	4.64	-62.23
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143251	1	54	0.0	-66.87	404.20	4.64	-62.23
CCCC(C(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21)[NH+](C)C	REAL300030143260	0	57	0.0	-72.84	405.47	5.76	-67.08
CC(CC[NH+](C)C)C(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143277	0	57	0.0	-75.86	413.71	5.79	-70.07
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143333	0	58	0.0	-68.45	412.33	5.57	-62.88
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143333	1	58	0.0	-68.45	412.33	5.57	-62.88
C[NH+](C)CCCCCC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143335	0	60	0.0	-74.34	440.54	6.98	-67.36
CN1CCN(CC(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)CC1	REAL300030143342	0	57	0.0	-73.42	412.56	3.48	-69.94
C[NH+]1CCN(CC(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)CC1	REAL300030143342	1	57	0.0	-73.42	412.56	3.48	-69.94
CC1CN(C)CC(C(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)O1	REAL300030143390	0	56	0.0	-86.59	407.14	4.71	-81.88
CC1C[N@H+](C)CC(C(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)O1	REAL300030143390	1	56	0.0	-89.92	407.83	4.72	-85.20
CC1C[N@@H+](C)CC(C(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)O1	REAL300030143390	1	56	0.0	-89.92	407.83	4.72	-85.20
C[N@@H+]1CCCCC1C(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143441	0	55	0.0	-67.26	392.28	5.41	-61.85
C[N@@H+]1CCC(=CC(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)C1	REAL300030143501	0	53	0.0	-75.23	390.13	5.47	-69.76
C[N@H+]1CCC(=CC(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)C1	REAL300030143501	1	53	0.0	-75.23	390.13	5.47	-69.76
O=C(CNC1=CC=[NH+]C=C1)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143504	0	51	0.0	-73.29	389.40	3.30	-69.99
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143570	0	52	0.0	-68.61	371.75	4.43	-64.18
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)C1	REAL300030143652	0	55	0.0	-70.20	402.43	5.65	-64.55
C[N@@H+]1CC=CCC1CC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143660	0	56	0.0	-66.80	399.46	5.92	-60.88
C[N@H+]1CC=CCC1CC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143660	1	56	0.0	-66.80	399.46	5.92	-60.88
C[NH+](C)CCOCC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143695	0	55	0.0	-72.48	409.39	4.98	-67.50
[NH2+]=C1SC=CN1CC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143716	0	48	0.0	-67.35	380.28	4.06	-63.29
C[C@@H](OCC[NH+](C)C)C(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143750	0	58	0.0	-72.00	425.73	5.43	-66.57
O=C(C[NH+]1CCCCC1)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143772	0	55	0.0	-72.78	394.94	5.74	-67.04
C[N@@H+]1CCCC(C(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)C1	REAL300030143773	0	55	0.0	-64.22	388.32	5.67	-58.55
C[N@H+]1CCCC(C(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)C1	REAL300030143773	1	55	0.0	-67.78	387.93	5.47	-62.31
O=C(C[NH+]1CCCCCC1)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143774	0	58	0.0	-71.70	404.18	5.94	-65.76
CN1C=C[N+](CC(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)=C1	REAL300030143778	0	50	0.0	-68.85	384.44	7.39	-61.46
O=C(C[NH+]1CCC(O)CC1)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143797	1	56	0.0	-76.71	406.32	2.52	-74.19
C[N@@H+](CC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21)C1CC1	REAL300030143799	1	52	0.0	-69.39	383.08	5.43	-63.96
O=C(CC[N@@H+]1CCC(F)C1)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143802	1	55	0.0	-79.24	407.65	5.78	-73.46
CC(CC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21)C[NH+](C)C	REAL300030143821	0	57	0.0	-77.30	410.56	6.03	-71.27
CN1CCOCC1CC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143840	0	56	0.0	-69.76	396.45	3.60	-66.16
C[N@@H+]1CCOCC1CC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143840	1	56	0.0	-80.82	403.91	3.76	-77.06
C[N@H+]1CCOCC1CC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143840	1	56	0.0	-69.76	396.45	3.60	-66.16
CC1=CC(N)=[NH+]C=C1C(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143869	1	51	0.0	-76.38	383.60	3.23	-73.15
NC1=CC=C(CCC(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)C=[NH+]1	REAL300030143870	0	54	0.0	-72.92	412.69	4.56	-68.36
CC1(O)CC[N@H+](CC(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)C1	REAL300030143895	0	56	0.0	-70.96	409.64	2.43	-68.53
CC1(O)CC[N@@H+](CC(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)C1	REAL300030143895	1	56	0.0	-70.75	409.29	2.30	-68.45
C[NH+]1CC(CC(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)C1	REAL300030143921	0	52	0.0	-71.87	385.12	4.89	-66.98
C[NH+](C)CC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143932	0	48	0.0	-72.33	353.68	4.01	-68.32
C[N@H+](CCO)CCC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143950	0	55	0.0	-74.33	404.12	2.07	-72.26
C[N@@H+](CCO)CCC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143950	1	55	0.0	-73.55	403.81	2.02	-71.53
C[C@@H](C(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21)[NH+](C)C	REAL300030143951	0	51	0.0	-71.93	368.04	4.20	-67.73
C[N@@H+]1CCCCC1CC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143964	0	58	0.0	-66.53	405.29	6.09	-60.44
C[N@H+]1CCCCC1CC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143964	1	58	0.0	-63.90	404.92	5.98	-57.92
CC(C(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21)[NH+]1CC(C)C1	REAL300030143976	0	55	0.0	-71.78	398.37	5.49	-66.29
CC1CC[N@@H+]1CC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143978	1	52	0.0	-70.39	379.01	4.72	-65.67
CC1CC[N@H+]1CC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143978	1	52	0.0	-70.60	385.00	5.09	-65.51
C[NH+](C)CC=CC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143983	0	52	0.0	-76.41	388.44	5.23	-71.18
CC1(C)C[NH+](CC(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)C1	REAL300030143988	1	55	0.0	-72.68	404.06	5.59	-67.09
C[NH+](C)CCSCC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030144008	0	55	0.0	-79.02	420.57	6.03	-72.99
O=C(C[N@H+]1CCCC1CO)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030144025	0	56	0.0	-71.55	408.47	2.56	-68.99
O=C(C[N@@H+]1CCCC1CO)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030144025	1	56	0.0	-72.19	406.58	2.51	-69.68
CC[NH+](CC)CC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030144029	0	54	0.0	-70.89	389.41	5.36	-65.53
O=C(C[NH+]1CCC1)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030144038	1	49	0.0	-73.72	363.81	4.48	-69.24
CC[NH+](CC)CCC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030144063	0	57	0.0	-74.07	407.31	5.71	-68.36
CC(C(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21)[NH+]1CCC1	REAL300030144107	1	52	0.0	-69.15	378.36	4.79	-64.36
CCC(CC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21)C[NH+](C)C	REAL300030144112	0	60	0.0	-68.14	429.00	6.64	-61.50
NC1=CC=C(C=CC(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)C=[NH+]1	REAL300030144116	0	52	0.0	-78.26	399.84	4.24	-74.02
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030144144	0	55	0.0	-74.88	385.53	5.18	-69.70
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030144144	1	55	0.0	-67.56	393.82	5.48	-62.08
C[NH+](C)CC(O)CC(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030144165	0	55	0.0	-77.44	406.29	2.99	-74.45
C=CCC(C(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21)[NH+](C)C	REAL300030144187	0	55	0.0	-72.99	397.26	5.53	-67.46
C[NH+](C)CCSCC(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030144257	0	55	0.0	-73.65	420.40	6.02	-67.63
C[N@@H+]1CCCC1C(=O)NCC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030144376	0	58	0.0	-72.82	415.46	4.44	-68.38
C[N@H+]1CCCC1C(=O)NCC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030144376	1	58	0.0	-69.55	415.05	4.45	-65.10
CCC(C(=O)NCC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300030144499	0	60	0.0	-70.10	424.63	4.69	-65.41
CCC[N@H+](C)CC(=O)NCC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030144505	0	60	0.0	-72.54	434.39	5.15	-67.39
CCC[N@@H+](C)CC(=O)NCC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030144505	1	60	0.0	-71.98	433.96	5.09	-66.89
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030144513	0	58	0.0	-70.69	415.45	4.31	-66.38
C[N@H+]1CCC[C@@H]1C(=O)NCC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030144513	1	58	0.0	-67.72	422.49	4.94	-62.78
CC[NH+](CC)CC(=O)NCC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030144519	0	60	0.0	-70.70	426.61	4.85	-65.85
CC[N@H+](C)CCC(=O)NCC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030144581	0	60	0.0	-74.15	435.20	4.99	-69.16
CC[N@@H+](C)CCC(=O)NCC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030144581	1	60	0.0	-73.83	434.84	4.90	-68.93
CC[C@@H](C(=O)NCC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300030144584	0	60	0.0	-67.93	424.38	5.00	-62.93
C[NH+](C)CC(=O)NCC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030144604	0	54	0.0	-72.36	394.74	3.68	-68.68
CC(C(=O)NCC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+]1CCC1	REAL300030144609	1	58	0.0	-69.09	423.52	4.97	-64.12
C[N@H+](CC(=O)NCC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300030144616	0	58	0.0	-69.63	424.37	5.18	-64.45
C[N@@H+](CC(=O)NCC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300030144616	1	58	0.0	-69.26	424.38	5.18	-64.08
C[NH+]1CC(CC(=O)NCC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030144622	0	58	0.0	-72.56	426.55	4.60	-67.96
C[C@@H](C(=O)NCC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300030144631	0	57	0.0	-70.23	413.16	4.18	-66.05
C[C@@H](C(=O)NCC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300030144656	0	57	0.0	-70.23	413.16	4.18	-66.05
O=C(C[NH+]1CCC1)NCC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030144676	1	55	0.0	-72.37	404.84	4.11	-68.26
C[C@H](C(=O)NCC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300030144689	0	57	0.0	-71.52	412.99	4.19	-67.33
CC1C[NH+](CC(=O)NCC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030144697	1	58	0.0	-72.44	424.82	4.85	-67.59
C[N@H+](CCO)CC(=O)NCC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030144708	1	58	0.0	-73.12	422.82	1.11	-72.01
C[N@@H+](CCO)CC(=O)NCC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030144708	1	58	0.0	-72.35	422.78	1.12	-71.23
CC[N@H+](C)CC(=O)NCC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030144716	0	57	0.0	-71.69	412.46	4.35	-67.34
CC[N@@H+](C)CC(=O)NCC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030144716	1	57	0.0	-71.71	412.46	4.35	-67.36
C[NH+](C)CC=CC(=O)NCC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030144737	0	58	0.0	-76.56	431.97	4.94	-71.62
CC[N@@H+]1CCC1C(=O)NCC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030144744	1	58	0.0	-70.78	420.10	4.52	-66.26
CC[N@H+]1CCC1C(=O)NCC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030144744	1	58	0.0	-71.12	426.41	4.71	-66.41
C[NH+](C)C(C)(C)C(=O)NCC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030144760	0	60	0.0	-77.11	422.21	4.87	-72.24
C[NH+](C)C1(C(=O)NCC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300030144788	0	58	0.0	-79.08	416.08	5.40	-73.68
CC(C[NH+](C)C)C(=O)NCC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030144811	0	60	0.0	-68.51	432.41	5.09	-63.42
CC1CC[N@@H+]1CC(=O)NCC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030144823	1	58	0.0	-70.03	420.50	4.50	-65.53
CC1CC[N@H+]1CC(=O)NCC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030144823	1	58	0.0	-71.21	427.72	4.79	-66.42
NC(=[NH2+])SCC(=O)NCC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030144849	0	52	0.0	-75.27	403.02	0.73	-74.54
C[N@@H+]1CCC[C@H]1C(=O)NCC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030144882	0	58	0.0	-68.93	421.24	4.97	-63.96
C[N@H+]1CCC[C@H]1C(=O)NCC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030144882	1	58	0.0	-72.82	414.61	4.21	-68.61
C[N@@H+]1CCCC1C(=O)N1CCC2(CCCC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030145004	0	58	0.0	-68.74	420.19	4.76	-63.98
C[N@H+]1CCCC1C(=O)N1CCC2(CCCC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030145004	1	58	0.0	-67.56	416.60	4.52	-63.04
CCC(C(=O)N1CCC2(CCCC2CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030145094	0	60	0.0	-69.61	427.85	5.05	-64.56
CCC[N@H+](C)CC(=O)N1CCC2(CCCC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030145098	0	60	0.0	-67.43	437.44	5.43	-62.00
CCC[N@@H+](C)CC(=O)N1CCC2(CCCC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030145098	1	60	0.0	-67.51	437.63	5.41	-62.10
CC[N@H+](C)CCC(=O)N1CCC2(CCCC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030145118	0	60	0.0	-74.83	438.49	5.29	-69.54
CC[N@@H+](C)CCC(=O)N1CCC2(CCCC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030145118	1	60	0.0	-74.67	438.39	5.29	-69.38
CC[C@@H](C(=O)N1CCC2(CCCC2CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030145163	0	60	0.0	-71.01	427.87	4.98	-66.03
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CCCC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030145214	0	58	0.0	-64.26	417.09	4.57	-59.69
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CCCC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030145214	1	58	0.0	-68.98	418.03	4.77	-64.21
C[C@@H](C(=O)N1CCC2(CCCC2CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030145278	0	57	0.0	-66.80	413.70	4.33	-62.47
C[N@H+](CCO)CC(=O)N1CCC2(CCCC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030145290	1	58	0.0	-68.46	426.48	1.45	-67.01
C[N@@H+](CCO)CC(=O)N1CCC2(CCCC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030145290	1	58	0.0	-67.33	426.05	1.46	-65.87
CC1C[NH+](CC(=O)N2CCC3(CCCC3CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030145311	1	58	0.0	-67.60	429.71	5.11	-62.49
CC[N@H+](C)CC(=O)N1CCC2(CCCC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030145329	0	57	0.0	-67.03	415.95	4.68	-62.35
CC[N@@H+](C)CC(=O)N1CCC2(CCCC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030145329	1	57	0.0	-67.16	416.14	4.69	-62.47
CC(C[NH+](C)C)C(=O)N1CCC2(CCCC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030145366	0	60	0.0	-74.83	434.33	5.07	-69.76
C[NH+](C)C1(C(=O)N2CCC3(CCCC3CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030145369	0	58	0.0	-66.37	420.62	4.73	-61.64
C[C@H](C(=O)N1CCC2(CCCC2CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030145374	0	57	0.0	-70.02	414.55	4.38	-65.64
CC[N@@H+]1CCC1C(=O)N1CCC2(CCCC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030145377	0	58	0.0	-72.12	428.96	4.88	-67.24
CC[N@H+]1CCC1C(=O)N1CCC2(CCCC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030145377	1	58	0.0	-71.44	417.86	4.39	-67.05
NC1=CC=[NH+]C=C1C(=O)N1CCC2(CCCC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030145385	0	54	0.0	-66.54	409.11	1.97	-64.57
C[NH+](C)C(C)(C)C(=O)N1CCC2(CCCC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030145390	0	60	0.0	-72.58	418.81	4.52	-68.06
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CCCC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030145460	0	58	0.0	-69.14	420.60	4.78	-64.36
C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CCCC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030145460	1	58	0.0	-68.13	414.60	4.57	-63.56
C[N@H+](CC(=O)N1CCC2(CCCC2CNC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300030145508	0	58	0.0	-69.05	427.68	5.43	-63.62
C[N@@H+](CC(=O)N1CCC2(CCCC2CNC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300030145508	1	58	0.0	-69.92	427.71	5.42	-64.50
C[NH+]1CC(CC(=O)N2CCC3(CCCC3CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030145539	0	58	0.0	-74.68	429.58	4.89	-69.79
C[NH+](C)CC(=O)N1CCC2(CCCC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030145544	0	54	0.0	-72.77	398.29	4.01	-68.76
C[C@@H](C(=O)N1CCC2(CCCC2CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030145549	0	57	0.0	-66.80	413.70	4.33	-62.47
CC1CC[N@@H+]1CC(=O)N1CCC2(CCCC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030145558	0	58	0.0	-66.01	429.44	5.12	-60.89
CC1CC[N@H+]1CC(=O)N1CCC2(CCCC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030145558	1	58	0.0	-66.07	424.15	4.81	-61.26
C[NH+](C)CC=CC(=O)N1CCC2(CCCC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030145559	0	58	0.0	-72.25	433.15	5.25	-67.00
CC[NH+](CC)CC(=O)N1CCC2(CCCC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030145568	0	60	0.0	-70.25	434.43	5.38	-64.87
O=C(C[NH+]1CCC1)N1CCC2(CCCC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030145571	1	55	0.0	-72.52	408.63	4.46	-68.06
CC(C(=O)N1CCC2(CCCC2CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC1	REAL300030145597	0	58	0.0	-66.43	425.44	4.86	-61.57
C[N@@H+]1CCCC1C(=O)N[C@@]12CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]1CS(=O)(=O)C2	REAL300030145738	1	49	0.0	-68.34	387.39	-0.91	-69.25
C[N@H+]1CCCC1C(=O)N[C@@]12CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]1CS(=O)(=O)C2	REAL300030145738	1	49	0.0	-69.84	387.70	-0.88	-70.72
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@]12CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]1CS(=O)(=O)C2	REAL300030145821	1	49	0.0	-81.00	381.96	-1.40	-82.40
C[N@H+]1CCC[C@@H]1C(=O)N[C@@]12CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]1CS(=O)(=O)C2	REAL300030145821	1	49	0.0	-69.77	387.78	-0.90	-70.67
C[NH+](C)CC(=O)N[C@@]12CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]1CS(=O)(=O)C2	REAL300030145877	1	45	0.0	-76.91	363.14	-1.81	-78.72
C[N@H+](CC(=O)N[C@@]12CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]1CS(=O)(=O)C2)C1CC1	REAL300030145886	1	49	0.0	-74.01	392.37	-0.41	-74.42
C[N@@H+](CC(=O)N[C@@]12CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]1CS(=O)(=O)C2)C1CC1	REAL300030145886	1	49	0.0	-73.85	392.53	-0.41	-74.26
C[NH+]1CC(CC(=O)N[C@@]23CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]2CS(=O)(=O)C3)C1	REAL300030145891	0	49	0.0	-82.13	394.94	-1.06	-83.19
C[C@@H](C(=O)N[C@@]12CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]1CS(=O)(=O)C2)[NH+](C)C	REAL300030145898	0	48	0.0	-81.28	381.56	-1.47	-82.75
C[C@@H](C(=O)N[C@@]12CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]1CS(=O)(=O)C2)[NH+](C)C	REAL300030145915	0	48	0.0	-81.28	381.56	-1.47	-82.75
C[C@H](C(=O)N[C@@]12CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]1CS(=O)(=O)C2)[NH+](C)C	REAL300030145932	0	48	0.0	-71.18	379.32	-1.54	-72.72
CC[N@H+](C)CC(=O)N[C@@]12CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]1CS(=O)(=O)C2	REAL300030145950	0	48	0.0	-76.22	380.85	-1.14	-77.36
CC[N@@H+](C)CC(=O)N[C@@]12CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]1CS(=O)(=O)C2	REAL300030145950	1	48	0.0	-76.10	380.85	-1.13	-77.23
C[NH+](C)CC=CC(=O)N[C@@]12CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]1CS(=O)(=O)C2	REAL300030145963	0	49	0.0	-84.70	399.47	-0.69	-85.39
C[N@@H+]1CCC[C@H]1C(=O)N[C@@]12CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]1CS(=O)(=O)C2	REAL300030146045	1	49	0.0	-68.58	387.12	-0.91	-69.49
C[N@H+]1CCC[C@H]1C(=O)N[C@@]12CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]1CS(=O)(=O)C2	REAL300030146045	1	49	0.0	-67.66	380.09	-1.41	-69.07
C[N@@H+]1CCCC1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030146137	0	49	0.0	-86.65	382.82	-1.33	-87.98
C[N@H+]1CCCC1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030146137	1	49	0.0	-86.16	385.47	-1.08	-87.24
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030146287	0	49	0.0	-86.64	382.81	-1.33	-87.97
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030146287	1	49	0.0	-81.37	388.37	-0.91	-82.28
C[C@@H](C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030146338	0	48	0.0	-89.70	383.34	-1.40	-91.10
CC1C[NH+](CC(=O)N2C[C@@H]3CS(=O)(=O)C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030146359	1	49	0.0	-92.99	396.89	-0.63	-93.62
CC[N@H+](C)CC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030146376	0	48	0.0	-91.93	384.48	-1.09	-93.02
CC[N@@H+](C)CC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030146376	1	48	0.0	-89.62	382.23	-1.16	-90.78
C[NH+](C)C1(C(=O)N2C[C@@H]3CS(=O)(=O)C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030146402	0	49	0.0	-89.01	389.93	-0.97	-89.98
C[C@H](C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030146406	0	48	0.0	-89.36	381.35	-1.52	-90.88
CC[N@@H+]1CCC1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030146408	1	49	0.0	-91.58	397.95	-0.88	-92.46
CC[N@H+]1CCC1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030146408	1	49	0.0	-88.65	387.78	-1.21	-89.86
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030146464	0	49	0.0	-86.26	385.91	-1.00	-87.26
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030146464	1	49	0.0	-91.80	382.91	-1.33	-93.13
C[N@H+](CC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030146495	1	49	0.0	-85.87	393.88	-0.44	-86.31
C[N@@H+](CC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030146495	1	49	0.0	-87.35	394.02	-0.44	-87.79
C[NH+]1CC(CC(=O)N2C[C@@H]3CS(=O)(=O)C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030146517	0	49	0.0	-91.52	396.05	-0.97	-92.49
C[NH+](C)CC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030146520	1	45	0.0	-90.02	364.50	-1.84	-91.86
C[C@@H](C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030146523	0	48	0.0	-89.70	383.34	-1.40	-91.10
CC1CC[N@@H+]1CC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030146530	1	49	0.0	-88.99	392.47	-0.98	-89.97
CC1CC[N@H+]1CC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030146530	1	49	0.0	-89.69	395.87	-0.75	-90.44
C[NH+](C)CC=CC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030146531	0	49	0.0	-95.38	400.66	-0.59	-95.97
CC(C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030146554	1	49	0.0	-82.05	390.56	-0.89	-82.94
C[N@@H+]1CCCC1C(=O)NC1CCS(=O)(=O)C12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030146678	1	49	0.0	-82.79	391.44	-0.62	-83.41
C[N@H+]1CCCC1C(=O)NC1CCS(=O)(=O)C12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030146678	1	49	0.0	-52.75	392.22	-0.56	-53.31
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCS(=O)(=O)C12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030146761	1	49	0.0	-89.73	394.28	-0.77	-90.50
C[N@H+]1CCC[C@@H]1C(=O)NC1CCS(=O)(=O)C12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030146761	1	49	0.0	-84.90	399.13	-0.28	-85.18
C[NH+](C)CC(=O)NC1CCS(=O)(=O)C12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030146817	1	45	0.0	-84.09	371.47	-1.16	-85.25
C[N@H+](CC(=O)NC1CCS(=O)(=O)C12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030146826	1	49	0.0	-55.98	401.94	0.60	-55.38
C[N@@H+](CC(=O)NC1CCS(=O)(=O)C12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030146826	1	49	0.0	-81.47	400.87	0.25	-81.22
C[NH+]1CC(CC(=O)NC2CCS(=O)(=O)C23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030146831	0	49	0.0	-82.89	402.57	-0.44	-83.33
C[C@@H](C(=O)NC1CCS(=O)(=O)C12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030146838	0	48	0.0	-81.07	389.57	-0.76	-81.83
C[C@@H](C(=O)NC1CCS(=O)(=O)C12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030146855	0	48	0.0	-81.07	389.57	-0.76	-81.83
C[C@H](C(=O)NC1CCS(=O)(=O)C12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030146872	0	48	0.0	-84.32	389.66	-0.76	-85.08
CC[N@H+](C)CC(=O)NC1CCS(=O)(=O)C12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030146890	0	48	0.0	-83.35	389.20	-0.49	-83.84
CC[N@@H+](C)CC(=O)NC1CCS(=O)(=O)C12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030146890	1	48	0.0	-83.28	389.19	-0.50	-83.78
C[NH+](C)CC=CC(=O)NC1CCS(=O)(=O)C12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030146903	0	49	0.0	-83.15	407.43	0.05	-83.10
C[N@@H+]1CCC[C@H]1C(=O)NC1CCS(=O)(=O)C12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030146985	1	49	0.0	-68.78	395.81	0.05	-68.73
C[N@H+]1CCC[C@H]1C(=O)NC1CCS(=O)(=O)C12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030146985	1	49	0.0	-89.44	393.47	-0.68	-90.12
C[N@@H+]1CCCC1C(=O)N1CC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CCS2(=O)=O	REAL300030147077	1	49	0.0	-70.16	398.19	-0.16	-70.32
C[N@H+]1CCCC1C(=O)N1CC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CCS2(=O)=O	REAL300030147077	1	49	0.0	-66.49	390.06	-0.23	-66.72
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CCS2(=O)=O	REAL300030147227	1	49	0.0	-67.63	392.18	-0.27	-67.90
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CCS2(=O)=O	REAL300030147227	1	49	0.0	-53.24	397.97	0.15	-53.09
C[C@@H](C(=O)N1CC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CCS2(=O)=O)[NH+](C)C	REAL300030147278	0	48	0.0	-69.63	392.62	-0.36	-69.99
CC[N@H+](C)CC(=O)N1CC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CCS2(=O)=O	REAL300030147316	0	48	0.0	-74.69	393.19	-0.44	-75.13
CC[N@@H+](C)CC(=O)N1CC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CCS2(=O)=O	REAL300030147316	1	48	0.0	-74.66	393.17	-0.45	-75.11
C[NH+](C)C1(C(=O)N2CC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CCS3(=O)=O)CC1	REAL300030147342	1	49	0.0	-80.13	399.46	-0.22	-80.35
C[C@H](C(=O)N1CC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CCS2(=O)=O)[NH+](C)C	REAL300030147346	0	48	0.0	-66.26	391.57	-0.66	-66.92
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CCS2(=O)=O	REAL300030147404	1	49	0.0	-59.37	380.89	-0.09	-59.46
C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CCS2(=O)=O	REAL300030147404	1	49	0.0	-65.14	392.18	-0.28	-65.42
C[N@H+](CC(=O)N1CC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CCS2(=O)=O)C1CC1	REAL300030147435	1	49	0.0	-71.94	404.75	0.28	-71.66
C[N@@H+](CC(=O)N1CC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CCS2(=O)=O)C1CC1	REAL300030147435	1	49	0.0	-72.32	404.89	0.28	-72.04
C[NH+]1CC(CC(=O)N2CC3(C2)C(NC(=O)C2=CC(=O)[N-]O2)CCS3(=O)=O)C1	REAL300030147457	0	49	0.0	-74.34	405.94	0.05	-74.29
C[NH+](C)CC(=O)N1CC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CCS2(=O)=O	REAL300030147460	1	45	0.0	-68.51	374.70	-0.76	-69.27
C[C@@H](C(=O)N1CC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CCS2(=O)=O)[NH+](C)C	REAL300030147463	0	48	0.0	-69.63	392.62	-0.36	-69.99
C[NH+](C)CC=CC(=O)N1CC2(C1)C(NC(=O)C1=CC(=O)[N-]O1)CCS2(=O)=O	REAL300030147471	0	49	0.0	-81.60	411.18	0.06	-81.54
C[N@@H+]1CCCC1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030147640	0	58	0.0	-75.06	413.68	5.82	-69.24
C[N@H+]1CCCC1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030147640	1	58	0.0	-72.14	417.83	6.17	-65.97
CCC(C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030147763	0	60	0.0	-71.10	424.69	6.36	-64.74
CCC[N@H+](C)CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030147769	0	60	0.0	-75.21	434.38	6.75	-68.46
CCC[N@@H+](C)CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030147769	1	60	0.0	-75.11	434.38	6.74	-68.37
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030147777	0	58	0.0	-74.41	413.61	5.84	-68.57
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030147777	1	58	0.0	-69.79	416.36	5.99	-63.80
CC[NH+](CC)CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030147783	0	60	0.0	-73.35	431.15	6.66	-66.69
CC[N@H+](C)CCC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030147845	0	60	0.0	-74.78	435.25	6.61	-68.17
CC[N@@H+](C)CCC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030147845	1	60	0.0	-77.32	435.25	6.60	-70.72
CC[C@@H](C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030147848	0	60	0.0	-73.21	424.88	6.26	-66.95
C[NH+](C)CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030147868	0	54	0.0	-73.48	395.15	5.33	-68.15
CC(C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+]1CCC1	REAL300030147873	0	58	0.0	-73.11	420.77	6.13	-66.98
C[N@H+](CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030147880	0	58	0.0	-72.07	424.47	6.71	-65.36
C[N@@H+](CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030147880	1	58	0.0	-70.51	424.57	6.76	-63.75
C[NH+]1CC(CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030147886	0	58	0.0	-76.51	426.47	6.19	-70.32
C[C@@H](C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030147895	0	57	0.0	-72.99	409.87	5.57	-67.42
C[C@@H](C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030147920	0	57	0.0	-72.99	409.87	5.57	-67.42
O=C(C[NH+]1CCC1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030147940	1	55	0.0	-73.10	405.18	5.73	-67.37
C[C@H](C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030147953	0	57	0.0	-73.17	409.56	5.53	-67.64
CC1C[NH+](CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030147961	1	58	0.0	-75.29	426.06	6.27	-69.02
C[N@H+](CCO)CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030147972	1	58	0.0	-75.73	423.23	2.77	-72.96
C[N@@H+](CCO)CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030147972	1	58	0.0	-75.80	423.35	2.72	-73.08
CC[N@H+](C)CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030147980	0	57	0.0	-74.88	412.87	5.99	-68.89
CC[N@@H+](C)CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030147980	1	57	0.0	-74.84	412.88	6.00	-68.84
C[NH+](C)CC=CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030148001	0	58	0.0	-80.81	431.29	6.59	-74.22
CC[N@@H+]1CCC1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030148008	0	58	0.0	-72.24	425.62	6.14	-66.10
CC[N@H+]1CCC1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030148008	1	58	0.0	-74.44	426.39	6.29	-68.15
C[NH+](C)C(C)(C)C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030148024	0	60	0.0	-73.25	416.33	5.78	-67.47
C[NH+](C)C1(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030148052	0	58	0.0	-77.63	414.39	5.55	-72.08
CC(C[NH+](C)C)C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030148075	0	60	0.0	-74.75	431.09	6.34	-68.41
CC1CC[N@@H+]1CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030148087	0	58	0.0	-74.14	426.49	6.43	-67.71
CC1CC[N@H+]1CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030148087	1	58	0.0	-73.90	426.46	6.41	-67.49
NC(=[NH2+])SCC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030148113	0	52	0.0	-77.81	403.07	2.38	-75.43
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030148146	0	58	0.0	-69.41	419.88	6.21	-63.20
C[N@H+]1CCC[C@H]1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030148146	1	58	0.0	-71.96	413.30	5.84	-66.12
C[N@@H+]1CCCC1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030148268	0	58	0.0	-75.06	413.68	5.82	-69.24
C[N@H+]1CCCC1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030148268	1	58	0.0	-72.14	417.83	6.17	-65.97
CCC(C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030148358	0	60	0.0	-71.10	424.69	6.36	-64.74
CCC[N@H+](C)CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030148362	0	60	0.0	-75.21	434.38	6.75	-68.46
CCC[N@@H+](C)CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030148362	1	60	0.0	-75.11	434.38	6.74	-68.37
CC[N@H+](C)CCC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030148382	0	60	0.0	-74.78	435.25	6.61	-68.17
CC[N@@H+](C)CCC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030148382	1	60	0.0	-77.32	435.25	6.60	-70.72
CC[C@@H](C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030148427	0	60	0.0	-73.21	424.88	6.26	-66.95
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030148478	0	58	0.0	-74.41	413.61	5.84	-68.57
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030148478	1	58	0.0	-69.79	416.36	5.99	-63.80
C[C@@H](C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030148542	0	57	0.0	-72.99	409.87	5.57	-67.42
C[N@H+](CCO)CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030148554	1	58	0.0	-75.73	423.23	2.77	-72.96
C[N@@H+](CCO)CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030148554	1	58	0.0	-75.80	423.35	2.72	-73.08
CC1C[NH+](CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030148575	1	58	0.0	-75.29	426.06	6.27	-69.02
CC[N@H+](C)CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030148593	0	57	0.0	-74.88	412.87	5.99	-68.89
CC[N@@H+](C)CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030148593	1	57	0.0	-74.84	412.88	6.00	-68.84
CC(C[NH+](C)C)C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030148630	0	60	0.0	-74.75	431.09	6.34	-68.41
C[NH+](C)C1(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030148633	0	58	0.0	-77.63	414.39	5.55	-72.08
C[C@H](C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030148638	0	57	0.0	-73.17	409.56	5.53	-67.64
CC[N@@H+]1CCC1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030148641	0	58	0.0	-72.24	425.62	6.14	-66.10
CC[N@H+]1CCC1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030148641	1	58	0.0	-74.44	426.39	6.29	-68.15
NC1=CC=[NH+]C=C1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030148649	0	54	0.0	-75.92	406.15	3.12	-72.80
C[NH+](C)C(C)(C)C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030148654	0	60	0.0	-73.25	416.33	5.78	-67.47
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030148724	0	58	0.0	-69.41	419.88	6.21	-63.20
C[N@H+]1CCC[C@H]1C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030148724	1	58	0.0	-71.96	413.30	5.84	-66.12
C[N@H+](CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030148772	0	58	0.0	-72.07	424.47	6.71	-65.36
C[N@@H+](CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030148772	1	58	0.0	-70.51	424.57	6.76	-63.75
C[NH+]1CC(CC(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030148803	0	58	0.0	-76.51	426.47	6.19	-70.32
C[NH+](C)CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030148808	0	54	0.0	-73.48	395.15	5.33	-68.15
C[C@@H](C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030148813	0	57	0.0	-72.99	409.87	5.57	-67.42
CC1CC[N@@H+]1CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030148822	0	58	0.0	-74.14	426.49	6.43	-67.71
CC1CC[N@H+]1CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030148822	1	58	0.0	-73.90	426.46	6.41	-67.49
C[NH+](C)CC=CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030148823	0	58	0.0	-80.81	431.29	6.59	-74.22
CC[NH+](CC)CC(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030148832	0	60	0.0	-73.35	431.15	6.66	-66.69
O=C(C[NH+]1CCC1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030148835	1	55	0.0	-73.10	405.18	5.73	-67.37
CC(C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+]1CCC1	REAL300030148861	0	58	0.0	-73.11	420.77	6.13	-66.98
C=CCC1(NC(=O)C2CCC[N@H+]2C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149069	0	52	0.0	-56.08	392.12	4.39	-51.69
C=CCC1(NC(=O)C2CCC[N@@H+]2C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149069	1	52	0.0	-55.80	391.43	4.42	-51.38
C=CCC1(NC(=O)C2CCC[N@H+]2C(C)C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149245	0	58	0.0	-54.65	424.89	5.62	-49.03
C=CCC1(NC(=O)C2CCC[N@@H+]2C(C)C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149245	1	58	0.0	-55.87	410.92	4.61	-51.26
C=CCC1(NC(=O)CN2C=C[NH+]=C2C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149274	1	50	0.0	-56.28	395.53	5.18	-51.10
C=CCC1(NC(=O)C2C[NH+]3CCC2CC3)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149300	0	56	0.0	-61.76	406.69	5.16	-56.60
C=CCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149330	0	55	0.0	-57.22	391.31	4.33	-52.89
C=CCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149330	1	55	0.0	-58.72	404.71	4.73	-53.99
C=CCC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149332	0	58	0.0	-61.37	422.76	5.21	-56.16
C=CCC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149332	1	58	0.0	-59.15	431.50	5.61	-53.54
C=CCC1(NC(=O)C2C[N@H+](CC)CCO2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149338	1	56	0.0	-60.53	409.05	4.64	-55.89
C=CCC1(NC(=O)C2C[N@@H+](CC)CCO2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149338	1	56	0.0	-55.43	413.39	4.46	-50.97
C=CCC1(NC(=O)C(F)C[NH+](CC)CC)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149360	0	57	0.0	-56.68	424.51	5.18	-51.50
C=CCC1(NC(=O)C[NH+]2C(C)CCC2C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149389	0	58	0.0	-61.92	393.66	7.11	-54.81
C=CCC1(NC(=O)CCC[NH+]2CCCC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149392	0	58	0.0	-60.52	435.03	6.02	-54.50
C=CCC1(NC(=O)CC[NH+]2CCCCC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149394	0	58	0.0	-59.20	429.90	5.87	-53.33
C=CCC1(NC(=O)C[N@@H+](C)C2CCC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149432	0	55	0.0	-57.15	412.31	5.55	-51.60
C=CCC1(NC(=O)C[N@H+](C)C2CCC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149432	1	55	0.0	-56.39	411.15	5.44	-50.95
C=CCC1(NC(=O)CCC2CCC[N@H+]2C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149504	0	58	0.0	-57.38	432.59	5.99	-51.39
C=CCC1(NC(=O)CCC2CCC[N@@H+]2C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149504	1	58	0.0	-56.54	429.36	5.72	-50.82
C=CCC1(NC(=O)C2CC[NH+](C)CC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149521	0	55	0.0	-59.94	410.90	5.27	-54.67
C=CCC1(NC(=O)C2=CN3C=[NH+]C=C3C=C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149606	0	50	0.0	-62.37	395.37	7.02	-55.35
C=CCC1(NC(=O)CC[NH+]2CCOCC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149613	1	56	0.0	-62.16	421.17	3.45	-58.71
C=CCC1(NC(=O)CN2C=[NH+]C=C2C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149624	1	50	0.0	-59.51	395.86	5.89	-53.62
C=CCC1(NC(=O)CC2CC[N@@H+](C)C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149651	0	55	0.0	-62.78	412.37	5.18	-57.60
C=CCC1(NC(=O)CC2CC[N@H+](C)C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149651	1	55	0.0	-61.79	411.91	5.14	-56.65
C=CCC1(NC(=O)C(CC)[NH+](C)C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149658	0	54	0.0	-56.06	395.36	4.47	-51.59
C=CCC1(NC(=O)C2=CC3=C[NH+]=CN3C=C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149678	1	50	0.0	-70.34	393.62	6.84	-63.50
C=CCC1(NC(=O)CCCC[NH+](C)C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149707	0	57	0.0	-62.91	430.56	5.62	-57.29
C=CCC1(NC(=O)CC[N@@H+](C)CCC)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149720	0	57	0.0	-60.50	427.50	5.40	-55.10
C=CCC1(NC(=O)CC[N@H+](C)CCC)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149720	1	57	0.0	-60.16	426.79	5.42	-54.74
C=CCC1(NC(=O)C[N@@H+](C)CCC)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149723	0	54	0.0	-59.03	405.32	4.98	-54.05
C=CCC1(NC(=O)C[N@H+](C)CCC)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149723	1	54	0.0	-58.69	405.23	4.94	-53.75
C=CCC1(NC(=O)C23CC[N@H+](C2)CCC3)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149735	0	56	0.0	-60.94	407.39	4.65	-56.29
C=CCC1(NC(=O)C23CC[N@@H+](C2)CCC3)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149735	1	56	0.0	-59.17	406.65	4.65	-54.52
C=CCC1(NC(=O)[C@H]2CCC[N@H+]2C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149758	0	52	0.0	-62.00	377.87	3.76	-58.24
C=CCC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149758	1	52	0.0	-56.77	389.42	4.45	-52.32
C=CCC1(NC(=O)C[NH+](CC)CC)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149787	0	54	0.0	-53.09	392.62	4.40	-48.69
C=CCC1(NC(=O)C[NH+]2CCC(C)CC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149838	0	58	0.0	-58.04	428.61	5.97	-52.07
C=CCC1(NC(=O)C2(C[NH+](C)C)CC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149855	0	55	0.0	-75.23	407.04	4.84	-70.39
C=CCC1(NC(=O)C2CC[NH+](C)CC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149898	0	55	0.0	-59.94	410.90	5.27	-54.67
C=CCC1(NC(=O)C(CC)[NH+](CC)CC)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149925	0	60	0.0	-53.71	431.38	5.86	-47.85
C=CCC1(NC(=O)CC[N@@H+](C)CC)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149963	0	54	0.0	-59.49	405.30	4.69	-54.80
C=CCC1(NC(=O)CC[N@H+](C)CC)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149963	1	54	0.0	-59.79	405.99	4.65	-55.14
C=CCC1(NC(=O)C[N@H+]2CCCC2C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149990	0	55	0.0	-55.12	403.63	4.85	-50.27
C=CCC1(NC(=O)C[N@@H+]2CCCC2C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149990	1	55	0.0	-55.91	404.72	4.92	-50.99
C=CCC1(NC(=O)C[N@H+]2CCC(C)C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149992	0	55	0.0	-58.23	412.26	5.22	-53.01
C=CCC1(NC(=O)C[N@@H+]2CCC(C)C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149992	1	55	0.0	-56.41	410.23	5.19	-51.22
C=CCC1(NC(=O)C[N@H+]2CCC(C)(C)C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149995	0	58	0.0	-58.24	431.34	5.88	-52.36
C=CCC1(NC(=O)C[N@@H+]2CCC(C)(C)C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149995	1	58	0.0	-56.72	430.60	5.62	-51.10
C=CCC1(NC(=O)C[N@@H+](C)CC(C)(C)C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149996	0	60	0.0	-58.44	433.23	5.87	-52.57
C=CCC1(NC(=O)C[N@H+](C)CC(C)(C)C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149996	1	60	0.0	-57.86	436.41	6.12	-51.74
C=CCC1(NC(=O)[C@H](CC)[NH+](C)C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150003	0	54	0.0	-56.55	393.31	4.59	-51.96
C=CCC1(NC(=O)C[NH+](C)C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150092	0	48	0.0	-58.88	365.20	3.49	-55.39
C=CCC1(NC(=O)C[NH+]2CCCCCC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150095	0	58	0.0	-57.61	414.23	5.29	-52.32
C=CCC1(NC(=O)C[N+]2=CN(C)C=C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150098	0	50	0.0	-56.13	397.24	7.04	-49.09
C=CCC1(NC(=O)C2CCC[N@@H+](C)C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150102	0	55	0.0	-57.97	398.14	5.20	-52.77
C=CCC1(NC(=O)C2CCC[N@H+](C)C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150102	1	55	0.0	-57.94	402.35	5.30	-52.64
C=CCC1(NC(=O)C2CCC[N@@H+]2C2CC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150106	0	56	0.0	-54.13	421.13	6.02	-48.11
C=CCC1(NC(=O)C2CCC[N@H+]2C2CC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150106	1	56	0.0	-53.84	415.98	5.69	-48.15
C=CCC1(NC(=O)C(C)[NH+]2CCC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150119	1	52	0.0	-56.78	394.05	4.52	-52.26
C=CCC1(NC(=O)CC(CC)C[NH+](C)C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150123	0	60	0.0	-51.61	433.34	5.65	-45.96
C=CCC1(NC(=O)C[NH+]2CCC(O)CC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150140	1	56	0.0	-60.12	417.95	1.91	-58.21
C=CCC1(NC(=O)C[N@@H+](C)C2CC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150141	0	52	0.0	-56.16	394.61	4.90	-51.26
C=CCC1(NC(=O)C[N@H+](C)C2CC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150141	1	52	0.0	-56.67	395.30	4.86	-51.81
C=CCC1(NC(=O)CC2C[NH+](C)C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150154	0	52	0.0	-61.83	397.34	4.27	-57.56
C=CCC1(NC(=O)C2CC[N@H+]2C(C)(C)C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150164	0	58	0.0	-53.95	425.52	5.05	-48.90
C=CCC1(NC(=O)C2CC[N@@H+]2C(C)(C)C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150164	1	58	0.0	-56.33	398.27	4.42	-51.91
C=CCC1(NC(=O)[C@H](C)[NH+](C)C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150175	0	51	0.0	-56.76	382.55	3.98	-52.78
C=CCC1(NC(=O)CN2C=CSC2=[NH2+])CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150226	0	48	0.0	-54.70	393.16	3.74	-50.96
C=CCC1(NC(=O)CC[N@H+](C)CCO)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150232	0	55	0.0	-60.37	415.65	1.47	-58.90
C=CCC1(NC(=O)CC[N@@H+](C)CCO)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150232	1	55	0.0	-60.27	416.26	1.49	-58.78
C=CCC1(NC(=O)[C@H](C)[NH+](C)C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150233	0	51	0.0	-56.76	382.55	3.98	-52.78
C=CCC1(NC(=O)[C@H]2CCCC[N@H+]2C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150237	0	55	0.0	-57.99	392.47	4.82	-53.17
C=CCC1(NC(=O)[C@H]2CCCC[N@@H+]2C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150237	1	55	0.0	-55.85	408.03	5.21	-50.64
C=CCC1(NC(=O)C[NH+]2CCC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150282	1	49	0.0	-58.30	375.40	3.93	-54.37
C=CCC1(NC(=O)C=C2CC[N@@H+](C)C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150297	0	53	0.0	-64.78	402.86	5.05	-59.73
C=CCC1(NC(=O)C=C2CC[N@H+](C)C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150297	1	53	0.0	-64.82	401.97	4.81	-60.01
C=CCC1(NC(=O)COCC[NH+](C)C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150317	0	55	0.0	-61.82	421.07	4.42	-57.40
C=CCC(C)(C(=O)NC1(CC=C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030150330	0	58	0.0	-64.99	413.08	5.43	-59.56
C=CCC1(NC(=O)C(O)CC[S+](C)C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150334	0	54	0.0	-61.56	430.36	3.00	-58.56
C=CCC1(NC(=O)CN2CC(C)C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150367	0	52	0.0	-58.21	395.60	4.78	-53.43
C=CCC1(NC(=O)C[NH+]2CC(C)C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150367	1	52	0.0	-58.21	395.60	4.78	-53.43
C=CCC1(NC(=O)CN(C)CCO)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150384	0	52	0.0	-59.47	394.09	0.96	-58.51
C=CCC1(NC(=O)C[N@H+](C)CCO)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150384	1	52	0.0	-58.52	393.99	0.89	-57.63
C=CCC1(NC(=O)C[N@@H+](C)CCO)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150384	1	52	0.0	-58.52	393.99	0.89	-57.63
C=CCC1(NC(=O)C2CCC[N@@H+](CC)C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150401	0	58	0.0	-58.34	426.99	5.74	-52.60
C=CCC1(NC(=O)C2CCC[N@H+](CC)C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150401	1	58	0.0	-58.34	426.99	5.74	-52.60
C=CCC1(NC(=O)CC(C)C[NH+](C)C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150403	0	57	0.0	-62.25	422.39	5.50	-56.75
C=CCC1(NC(=O)C[N@@H+](C)CC)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150407	0	51	0.0	-58.68	383.82	4.24	-54.44
C=CCC1(NC(=O)C[N@@H+](CC)C2CC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150436	0	55	0.0	-55.15	404.44	5.04	-50.11
C=CCC1(NC(=O)CC[NH+](CC)CC)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150445	0	57	0.0	-58.97	423.12	5.30	-53.67
C=CCC1(NC(=O)C[N@H+]2CCC(C)(O)C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150479	0	56	0.0	-58.34	421.18	1.92	-56.42
C=CCC1(NC(=O)C=CC[NH+](C)C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150482	0	52	0.0	-62.82	402.41	4.75	-58.07
C=CCC1(NC(=O)C(C)OCC[NH+](C)C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150488	0	58	0.0	-61.77	440.20	5.12	-56.65
C=CCC1(NC(=O)CCOCC[NH+](C)C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150494	0	58	0.0	-60.22	442.03	4.28	-55.94
C=CCC1(NC(=O)CN(C)CCOC)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150495	0	55	0.0	-58.25	416.24	3.29	-54.96
C=CCC1(NC(=O)C[N@@H+](C)CCOC)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150495	1	55	0.0	-59.40	416.34	3.37	-56.03
C=CCC1(NC(=O)C[N@H+](C)CCOC)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150495	1	55	0.0	-59.40	416.34	3.37	-56.03
C=CCC1(NC(=O)CCC(C)[NH+](C)C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150512	0	57	0.0	-60.99	421.48	5.17	-55.82
C=CCC1(NC(=O)C2CCN2CC)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150518	0	52	0.0	-56.04	389.45	4.06	-51.98
C=CCC1(NC(=O)C2CC[N@H+]2CC)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150518	1	52	0.0	-56.47	396.58	4.49	-51.98
C=CCC1(NC(=O)C2CC[N@@H+]2CC)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150518	1	52	0.0	-56.47	396.58	4.49	-51.98
C=CCC1(NC(=O)C[N@H+]2CCCC2CO)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150530	0	56	0.0	-55.25	410.88	1.96	-53.29
C=CCC(C(=O)NC1(CC=C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030150562	0	55	0.0	-54.75	408.30	4.91	-49.84
C=CCC1(NC(=O)C2CC(C)(C)C[N@H+]2C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150566	0	58	0.0	-55.67	429.61	5.65	-50.02
C=CCC1(NC(=O)CCCCC[NH+](C)C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150568	0	60	0.0	-63.83	452.06	6.40	-57.43
C=CCC1(NC(=O)C(CCC)[NH+](C)C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150588	0	57	0.0	-56.55	417.22	5.24	-51.31
C=CCC1(NC(=O)C2CCCC[N@H+]2C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150611	0	55	0.0	-56.70	394.21	4.50	-52.20
C=CCC1(NC(=O)CC2=CC[N@H+](C)CC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150632	0	56	0.0	-62.31	424.35	5.82	-56.49
C=CCC1(NC(=O)CC2=CC[N@@H+](C)CC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150632	1	56	0.0	-62.31	424.35	5.82	-56.49
C=CCC1(NC(=O)C=CC[NH+]2CCCC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150666	0	56	0.0	-62.64	428.19	5.88	-56.76
C=CCC1(NC(=O)CC[NH+]2CCCC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150692	0	55	0.0	-59.30	411.94	5.11	-54.19
C=CCC1(NC(=O)C[N@@H+]2CC3CCC2C3)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150723	0	56	0.0	-56.34	412.54	5.56	-50.78
C=CCC1(NC(=O)CN2CC3C=CC2C3)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150759	0	54	0.0	-55.10	404.73	5.25	-49.85
C=CCC1(NC(=O)C[N@@H+]2CC3C=CC2C3)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150759	1	54	0.0	-55.44	404.43	5.48	-49.96
C=CCC1(NC(=O)C[N@H+]2CC3C=CC2C3)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150759	1	54	0.0	-55.44	404.43	5.48	-49.96
C=CCC1(NC(=O)C(C)C[NH+](C)C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150783	0	54	0.0	-59.34	402.42	4.84	-54.50
C=CCC1(NC(=O)CC2CCCC[N@H+]2C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150828	0	58	0.0	-55.18	417.75	5.72	-49.46
C=CCC1(NC(=O)CC2CCCC[N@@H+]2C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150828	1	58	0.0	-55.18	417.75	5.72	-49.46
C=CCC1(NC(=O)C(C)N2CC(C)C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150837	0	55	0.0	-54.04	412.43	4.97	-49.07
C=CCC1(NC(=O)C(C)[NH+]2CC(C)C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150837	1	55	0.0	-54.04	412.43	4.97	-49.07
C=CCC1(NC(=O)CN2CCC2C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150839	0	52	0.0	-56.36	391.18	4.37	-51.99
C=CCC1(NC(=O)C[N@H+]2CCC2C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150839	1	52	0.0	-55.52	390.85	4.24	-51.28
C=CCC1(NC(=O)C[N@@H+]2CCC2C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150839	1	52	0.0	-55.52	390.85	4.24	-51.28
C=CCC1(NC(=O)CC(O)C[NH+](C)C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150841	0	55	0.0	-63.40	417.81	2.42	-60.98
C=CCC1(NC(=O)C2C[N@@H+](C)CC(C)O2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150856	1	56	0.0	-75.88	414.74	4.03	-71.85
C=CCC1(NC(=O)C2C[N@H+](C)CC(C)O2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150856	1	56	0.0	-58.28	416.18	3.96	-54.32
C=CCC1(NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150899	0	55	0.0	-62.13	414.89	5.25	-56.88
C=CCC1(NC(=O)C(C)CC[NH+](C)C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150905	0	57	0.0	-62.67	425.04	5.36	-57.31
C=CCC1(NC(=O)CN2CC[NH+](C)CC2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150920	1	57	0.0	-62.31	424.54	3.11	-59.20
C=CCC1(NC(=O)CSC(N)=[NH2+])CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150942	0	46	0.0	-58.27	373.12	0.44	-57.83
C=CCC1(NC(=O)CC2CC=CC[N@H+]2C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150966	0	56	0.0	-59.69	415.39	5.40	-54.29
C=CCC1(NC(=O)CC2CC=CC[N@@H+]2C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150966	1	56	0.0	-56.12	410.80	5.35	-50.77
C=CCC1(NC(=O)[C@@H](C)OCC[NH+](C)C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150979	0	58	0.0	-61.40	441.08	5.02	-56.38
C=CCC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030151049	0	52	0.0	-55.44	383.28	3.95	-51.49
C=CCC1(NC(=O)CC[N@H+]2CCC(F)C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030151055	0	55	0.0	-62.46	419.11	5.20	-57.26
C=CCC1(NC(=O)C2CC[N@H+](C)C2C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030151073	0	55	0.0	-60.09	395.53	4.13	-55.96
C=CCC1(NC(=O)C2CC[N@@H+](C)C2C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030151073	1	55	0.0	-60.09	395.53	4.13	-55.96
C=CCC1(NC(=O)CC2COCCN2C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030151100	0	56	0.0	-62.97	416.44	3.44	-59.53
C=CCC1(NC(=O)CC2COCC[N@H+]2C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030151100	1	56	0.0	-58.71	407.68	3.02	-55.69
C=CCC1(NC(=O)CC2COCC[N@@H+]2C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030151100	1	56	0.0	-58.71	407.68	3.02	-55.69
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CCC[N@H+]2C)C1	REAL300030151268	0	52	0.0	-70.98	384.80	4.02	-66.96
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CN(C)CCO2)C1	REAL300030151294	0	53	0.0	-81.93	392.04	3.53	-78.40
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2C[N@H+](C)CCO2)C1	REAL300030151294	1	53	0.0	-79.43	393.99	3.75	-75.68
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2C[N@@H+](C)CCO2)C1	REAL300030151294	1	53	0.0	-79.43	393.99	3.75	-75.68
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CCN2CCOCC2)C1	REAL300030151447	0	56	0.0	-73.73	421.92	3.60	-70.13
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC[NH+]2CCOCC2)C1	REAL300030151447	1	56	0.0	-73.73	421.92	3.60	-70.13
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300030151459	0	56	0.0	-77.96	387.88	5.22	-72.74
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC3=CN=CN3C=C2)C1	REAL300030151465	0	50	0.0	-75.60	396.97	6.80	-68.80
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300030151465	1	50	0.0	-75.60	396.97	6.80	-68.80
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC2CC[N@@H+](C)C2)C1	REAL300030151496	0	55	0.0	-69.59	415.05	5.42	-64.17
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC2CC[N@H+](C)C2)C1	REAL300030151496	1	55	0.0	-69.59	415.05	5.42	-64.17
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C(CC)[NH+](C)C)C1	REAL300030151504	0	54	0.0	-64.26	391.48	4.38	-59.88
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CCCC[NH+](C)C)C1	REAL300030151542	0	57	0.0	-74.74	432.02	5.73	-69.01
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C(C(C)C)[NH+](C)C)C1	REAL300030151558	0	57	0.0	-72.45	406.42	5.00	-67.45
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC[N@@H+](C)CCC)C1	REAL300030151559	0	57	0.0	-71.32	428.89	5.58	-65.74
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC[N@H+](C)CCC)C1	REAL300030151559	1	57	0.0	-71.32	428.89	5.58	-65.74
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[N@@H+](C)CCC)C1	REAL300030151563	0	54	0.0	-64.36	406.65	4.99	-59.37
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[N@H+](C)CCC)C1	REAL300030151563	1	54	0.0	-64.36	406.65	4.99	-59.37
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300030151578	0	56	0.0	-89.01	397.62	4.25	-84.76
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300030151578	1	56	0.0	-89.01	397.62	4.25	-84.76
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2(C[NH+](C)C)CC2)C1	REAL300030151652	0	55	0.0	-78.69	414.23	5.08	-73.61
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC[N@@H+](C)CC)C1	REAL300030151671	0	54	0.0	-69.78	408.48	5.01	-64.77
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC[N@H+](C)CC)C1	REAL300030151671	1	54	0.0	-69.78	408.48	5.01	-64.77
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300030151689	0	56	0.0	-83.66	404.96	5.14	-78.52
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CC[NH+](C)CC2)C1	REAL300030151738	0	55	0.0	-58.96	404.57	4.82	-54.14
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1	REAL300030151754	0	57	0.0	-71.97	407.43	5.14	-66.83
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2([NH+](C)C)CCC2)C1	REAL300030151835	0	55	0.0	-79.04	393.63	4.39	-74.65
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C(CC)[NH+](CC)CC)C1	REAL300030151863	0	60	0.0	-60.12	427.76	5.76	-54.36
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[N@H+]2CCCC2C)C1	REAL300030151874	0	55	0.0	-62.90	405.91	4.94	-57.96
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[N@@H+]2CCCC2C)C1	REAL300030151874	1	55	0.0	-65.46	413.51	5.52	-59.94
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CCC[N@H+]2C(C)C)C1	REAL300030151920	0	58	0.0	-64.61	421.36	5.44	-59.17
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CCC[N@@H+]2C(C)C)C1	REAL300030151920	1	58	0.0	-65.69	421.85	5.43	-60.26
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1	REAL300030151929	0	57	0.0	-62.13	409.00	5.00	-57.13
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[N@H+]2CCC(C)C2)C1	REAL300030151943	0	55	0.0	-65.65	413.33	5.31	-60.34
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[N@@H+]2CCC(C)C2)C1	REAL300030151943	1	55	0.0	-67.95	411.76	5.28	-62.67
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1	REAL300030151947	0	58	0.0	-66.04	431.66	5.81	-60.23
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1	REAL300030151947	1	58	0.0	-64.54	432.96	5.81	-58.73
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1	REAL300030151948	0	60	0.0	-67.79	433.11	5.83	-61.96
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1	REAL300030151948	1	60	0.0	-64.02	437.48	6.11	-57.91
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)[C@H](CC)[NH+](C)C)C1	REAL300030151956	0	54	0.0	-62.11	395.65	4.53	-57.58
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CN2C=C[NH+]=C2C)C1	REAL300030152077	1	50	0.0	-60.58	398.53	5.37	-55.21
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2C[N@H+](CC)CCO2)C1	REAL300030152141	1	56	0.0	-80.81	409.82	4.17	-76.64
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2C[N@@H+](CC)CCO2)C1	REAL300030152141	1	56	0.0	-88.20	419.62	4.56	-83.64
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300030152171	0	50	0.0	-62.88	402.23	6.98	-55.90
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CN2C=[NH+]C=C2C)C1	REAL300030152174	1	50	0.0	-64.66	398.14	6.10	-58.56
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	REAL300030152181	0	55	0.0	-71.67	400.47	4.82	-66.85
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	REAL300030152181	1	55	0.0	-76.19	408.83	4.80	-71.39
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	REAL300030152183	0	58	0.0	-59.47	421.53	5.16	-54.31
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1	REAL300030152183	1	58	0.0	-65.51	423.11	5.53	-59.98
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[NH+]2C(C)CCC2C)C1	REAL300030152190	0	58	0.0	-66.02	423.35	5.38	-60.64
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CCC[NH+]2CCCC2)C1	REAL300030152193	0	58	0.0	-72.10	434.33	5.92	-66.18
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC[NH+]2CCCCC2)C1	REAL300030152197	0	58	0.0	-68.95	432.04	6.17	-62.78
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CCCC[N@H+]2CC)C1	REAL300030152200	0	58	0.0	-66.12	424.56	5.69	-60.43
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CCCC[N@@H+]2CC)C1	REAL300030152200	1	58	0.0	-60.92	415.12	5.36	-55.56
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[N@@H+](C)C2CCC2)C1	REAL300030152298	0	55	0.0	-67.05	414.15	5.66	-61.39
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[N@H+](C)C2CCC2)C1	REAL300030152298	1	55	0.0	-61.84	413.65	5.55	-56.29
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CC[NH+](C)CC2)C1	REAL300030152329	0	55	0.0	-58.96	404.57	4.82	-54.14
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1	REAL300030152359	0	52	0.0	-63.21	385.22	4.05	-59.16
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1	REAL300030152359	1	52	0.0	-64.83	392.60	4.54	-60.29
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC(CC=C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030152377	1	54	0.0	-68.69	411.81	5.30	-63.39
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC(CC=C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030152377	1	54	0.0	-70.46	416.99	5.62	-64.84
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CCC2CCC[N@H+]2C)C1	REAL300030152382	0	58	0.0	-70.29	428.90	5.59	-64.70
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CCC2CCC[N@@H+]2C)C1	REAL300030152382	1	58	0.0	-71.72	427.82	5.57	-66.15
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CCCC[N@H+]2C)C1	REAL300030152456	0	55	0.0	-61.26	395.80	4.56	-56.70
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300030152456	1	55	0.0	-61.53	396.43	4.59	-56.94
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CC[N@H+](C)C2C)C1	REAL300030152514	0	55	0.0	-72.92	407.84	4.74	-68.18
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CC[N@@H+](C)C2C)C1	REAL300030152514	1	55	0.0	-73.28	408.49	4.87	-68.41
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CC[N@H+]2C(C)(C)C)C1	REAL300030152570	0	58	0.0	-64.68	405.99	4.67	-60.01
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CC[N@@H+]2C(C)(C)C)C1	REAL300030152570	1	58	0.0	-64.00	429.11	5.41	-58.59
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300030152584	0	51	0.0	-63.92	384.30	4.02	-59.90
C=CCC(C)(C(=O)N1CCCC(CC=C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030152598	0	58	0.0	-73.14	404.42	5.37	-67.77
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC[NH+]2CCCC2)C1	REAL300030152615	0	55	0.0	-69.05	416.37	5.47	-63.58
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[N@H+](C)CCO)C1	REAL300030152624	1	52	0.0	-64.48	395.50	1.00	-63.48
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[N@@H+](C)CCO)C1	REAL300030152624	1	52	0.0	-68.13	396.33	1.15	-66.98
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC2=CC[N@H+](C)CC2)C1	REAL300030152682	0	56	0.0	-66.96	427.50	6.13	-60.83
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC2=CC[N@@H+](C)CC2)C1	REAL300030152682	1	56	0.0	-65.47	427.19	6.04	-59.43
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C(O)CC[S+](C)C)C1	REAL300030152692	0	54	0.0	-79.57	428.70	3.11	-76.46
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2(C)CC(O)C[N@H+]2C)C1	REAL300030152705	0	56	0.0	-61.59	404.80	0.48	-61.11
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2(C)CC(O)C[N@@H+]2C)C1	REAL300030152705	1	56	0.0	-61.83	405.33	0.52	-61.31
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[NH+]2CC(C)C2)C1	REAL300030152735	1	52	0.0	-69.20	398.24	4.84	-64.36
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CCC[N@@H+](CC)C2)C1	REAL300030152741	0	58	0.0	-49.31	415.63	5.65	-43.66
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CCC[N@H+](CC)C2)C1	REAL300030152741	1	58	0.0	-72.34	420.53	5.83	-66.51
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC2=CC=C[NH+]=C2N)C1	REAL300030152745	0	51	0.0	-65.97	402.62	3.61	-62.36
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300030152753	0	56	0.0	-63.80	417.82	5.74	-58.06
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300030152753	1	56	0.0	-62.65	404.41	4.90	-57.75
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300030152783	0	56	0.0	-66.43	427.87	6.01	-60.42
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[N@@H+](C)CC)C1	REAL300030152828	0	51	0.0	-64.30	385.15	4.24	-60.06
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300030152863	1	54	0.0	-64.79	406.16	5.44	-59.35
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300030152863	1	54	0.0	-65.19	405.64	5.41	-59.78
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2C[NH+]3CCN2CC3)C1	REAL300030152916	0	55	0.0	-63.99	400.85	1.72	-62.27
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C(C)OCC[NH+](C)C)C1	REAL300030152950	0	58	0.0	-68.61	440.24	5.33	-63.28
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CCOCC[NH+](C)C)C1	REAL300030152957	0	58	0.0	-70.08	445.81	4.61	-65.47
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[N@@H+](C)CCOC)C1	REAL300030152959	1	55	0.0	-67.42	416.35	3.29	-64.13
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[N@H+](C)CCOC)C1	REAL300030152959	1	55	0.0	-64.78	417.75	3.40	-61.38
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CCC(C)[NH+](C)C)C1	REAL300030152962	0	57	0.0	-68.50	423.79	5.30	-63.20
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C=C2CC[NH+](C)CC2)C1	REAL300030152972	0	56	0.0	-71.65	420.60	6.02	-65.63
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[N@@H+](CC)C2CC2)C1	REAL300030152978	0	55	0.0	-64.37	414.68	5.49	-58.88
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[N@H+](CC)C2CC2)C1	REAL300030152978	1	55	0.0	-64.32	412.47	5.51	-58.81
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C23CC(C2)C[N@H+]3C)C1	REAL300030153005	0	53	0.0	-62.29	382.18	4.15	-58.14
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C23CC(C2)C[N@@H+]3C)C1	REAL300030153005	1	53	0.0	-64.36	395.36	4.59	-59.77
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300030153014	0	56	0.0	-64.70	414.11	5.67	-59.03
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300030153014	1	56	0.0	-66.41	413.14	5.63	-60.78
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C(C)C[NH+](C)C)C1	REAL300030153029	0	54	0.0	-68.10	404.55	4.76	-63.34
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2([NH+](C)C)CC2)C1	REAL300030153040	0	52	0.0	-79.10	388.88	4.13	-74.97
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)[C@@H](C)[NH+](C)C)C1	REAL300030153061	0	51	0.0	-66.71	384.20	3.94	-62.77
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CC[N@H+]2CC)C1	REAL300030153066	1	52	0.0	-65.44	390.07	4.22	-61.22
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CC[N@@H+]2CC)C1	REAL300030153066	1	52	0.0	-65.20	390.42	4.23	-60.97
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C(C)[NH2+]C(C)(C)CC)C1	REAL300030153077	0	60	0.0	-63.56	430.86	4.04	-59.52
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=C(C)[NH+]=C2NC)C1	REAL300030153104	1	54	0.0	-59.42	419.85	4.24	-55.18
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=C[NH+]=CC=C2N)C1	REAL300030153105	0	48	0.0	-71.23	379.53	1.65	-69.58
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C(CCC)[NH+](C)C)C1	REAL300030153113	0	57	0.0	-63.07	420.65	5.47	-57.60
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C(C)(C)[NH+](C)C)C1	REAL300030153118	0	54	0.0	-68.75	386.84	4.06	-64.69
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C(C)CC[NH+](C)C)C1	REAL300030153132	0	57	0.0	-67.86	425.12	5.33	-62.53
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CC(C)(C)C[N@H+]2C)C1	REAL300030153194	0	58	0.0	-58.84	424.94	5.11	-53.73
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CC(C)(C)C[N@@H+]2C)C1	REAL300030153194	1	58	0.0	-60.58	425.31	5.35	-55.23
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CCCCC[NH+](C)C)C1	REAL300030153196	0	60	0.0	-74.93	453.51	6.51	-68.42
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CN2CC[NH+](C)CC2)C1	REAL300030153203	1	57	0.0	-65.11	427.49	3.23	-61.88
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2C[N@@H+](C)CC(C)O2)C1	REAL300030153256	1	56	0.0	-85.42	413.97	4.08	-81.34
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2C[N@H+](C)CC(C)O2)C1	REAL300030153256	1	56	0.0	-68.30	417.34	4.33	-63.97
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300030153287	0	53	0.0	-66.58	402.15	5.43	-61.15
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CCCC[N@H+]2C)C1	REAL300030153314	0	55	0.0	-61.26	395.80	4.56	-56.70
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300030153314	1	55	0.0	-61.53	396.43	4.59	-56.94
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C=C2CC[N@@H+](C)C2)C1	REAL300030153388	0	53	0.0	-69.21	404.57	5.20	-64.01
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C=C2CC[N@H+](C)C2)C1	REAL300030153388	1	53	0.0	-72.68	404.89	5.34	-67.34
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300030153391	0	51	0.0	-68.96	403.75	2.96	-66.00
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2([NH+](C)C)CCCC2)C1	REAL300030153454	0	58	0.0	-66.01	402.47	5.12	-60.89
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[NH+]2CC(CC)C2)C1	REAL300030153463	1	55	0.0	-69.44	421.04	5.61	-63.83
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1	REAL300030153473	0	52	0.0	-60.94	389.34	4.41	-56.53
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1	REAL300030153473	1	52	0.0	-72.61	385.00	4.04	-68.57
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CCC2=CC=C(N)[NH+]=C2)C1	REAL300030153517	0	54	0.0	-68.03	427.44	4.26	-63.77
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C1	REAL300030153568	0	55	0.0	-66.29	415.60	5.29	-61.00
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2(CC[NH+](C)C)CC2)C1	REAL300030153577	0	58	0.0	-63.85	432.92	6.27	-57.58
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC2CC=CC[N@H+]2C)C1	REAL300030153578	0	56	0.0	-54.20	413.55	5.61	-48.59
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC2CC=CC[N@@H+]2C)C1	REAL300030153578	1	56	0.0	-68.79	419.23	5.77	-63.02
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)COCC[NH+](C)C)C1	REAL300030153614	0	55	0.0	-64.70	424.66	4.83	-59.87
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CN2C=CSC2=[NH2+])C1	REAL300030153642	0	48	0.0	-63.12	396.19	3.94	-59.18
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)[C@@H](C)OCC[NH+](C)C)C1	REAL300030153684	0	58	0.0	-70.89	440.67	5.25	-65.64
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CCC[N@@H+](C)C2)C1	REAL300030153714	0	55	0.0	-74.60	411.13	5.16	-69.44
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2CCC[N@H+](C)C2)C1	REAL300030153714	1	55	0.0	-74.60	411.13	5.16	-69.44
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[NH+]2CCCCCC2)C1	REAL300030153715	0	58	0.0	-69.32	419.46	5.80	-63.52
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[N+]2=CN(C)C=C2)C1	REAL300030153719	0	50	0.0	-63.63	399.62	7.26	-56.37
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CN2CCC(O)CC2)C1	REAL300030153742	0	56	0.0	-72.98	420.90	2.16	-70.82
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300030153742	1	56	0.0	-72.98	420.90	2.16	-70.82
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[N@@H+](C)C2CC2)C1	REAL300030153744	0	52	0.0	-63.55	396.71	4.98	-58.57
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC[N@H+]2CCC(F)C2)C1	REAL300030153747	0	55	0.0	-74.23	420.69	5.34	-68.89
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC(C)C[NH+](C)C)C1	REAL300030153768	0	57	0.0	-73.11	424.43	5.59	-67.52
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC2COCCN2C)C1	REAL300030153787	0	56	0.0	-55.54	410.42	3.28	-52.26
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC2COCC[N@H+]2C)C1	REAL300030153787	1	56	0.0	-72.02	418.53	3.51	-68.51
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC2COCC[N@@H+]2C)C1	REAL300030153787	1	56	0.0	-72.02	418.53	3.51	-68.51
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CN=C(N)C=C2C)C1	REAL300030153827	0	51	0.0	-70.13	399.36	2.96	-67.17
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=C[NH+]=C(N)C=C2C)C1	REAL300030153827	1	51	0.0	-70.13	399.36	2.96	-67.17
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[N@H+]2CCC(C)(O)C2)C1	REAL300030153857	0	56	0.0	-64.20	423.35	1.99	-62.21
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[N@@H+]2CCC(C)(O)C2)C1	REAL300030153857	1	56	0.0	-65.83	422.30	1.93	-63.90
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC2C[NH+](C)C2)C1	REAL300030153885	0	52	0.0	-73.39	397.47	4.33	-69.06
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[NH+](C)C)C1	REAL300030153896	0	48	0.0	-66.86	367.24	3.53	-63.33
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC[N@H+](C)CCO)C1	REAL300030153915	0	55	0.0	-70.90	416.53	1.50	-69.40
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC[N@@H+](C)CCO)C1	REAL300030153915	1	55	0.0	-68.20	418.42	1.74	-66.46
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300030153916	0	51	0.0	-63.92	384.30	4.02	-59.90
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC2CCCC[N@H+]2C)C1	REAL300030153933	0	58	0.0	-70.98	427.44	5.89	-65.09
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC2CCCC[N@@H+]2C)C1	REAL300030153933	1	58	0.0	-75.61	425.41	5.74	-69.87
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C(C)[NH+]2CC(C)C2)C1	REAL300030153946	0	55	0.0	-65.22	415.84	5.17	-60.05
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[N@H+]2CCC2C)C1	REAL300030153948	1	52	0.0	-66.40	394.44	4.58	-61.82
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[N@@H+]2CCC2C)C1	REAL300030153948	1	52	0.0	-65.77	394.37	4.55	-61.22
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C=CC[NH+](C)C)C1	REAL300030153956	0	52	0.0	-70.24	403.29	4.95	-65.29
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[NH+]2CC(C)(C)C2)C1	REAL300030153962	1	55	0.0	-67.70	417.91	5.18	-62.52
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CSCC[NH+](C)C)C1	REAL300030153984	0	55	0.0	-73.73	435.88	5.80	-67.93
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[N@H+]2CCCC2CO)C1	REAL300030154003	0	56	0.0	-67.39	415.96	1.56	-65.83
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[N@@H+]2CCCC2CO)C1	REAL300030154003	1	56	0.0	-64.78	415.87	1.55	-63.23
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[NH+](CC)CC)C1	REAL300030154007	0	54	0.0	-64.21	402.29	4.83	-59.38
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[NH+]2CCC2)C1	REAL300030154016	1	49	0.0	-68.09	378.29	4.14	-63.95
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC[NH+](CC)CC)C1	REAL300030154047	0	57	0.0	-70.06	424.39	5.46	-64.60
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C(C)[NH+]2CCC2)C1	REAL300030154106	1	52	0.0	-64.79	386.47	4.17	-60.62
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC(CC)C[NH+](C)C)C1	REAL300030154111	0	60	0.0	-75.76	437.40	6.05	-69.71
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C=CC2=CC=C(N)[NH+]=C2)C1	REAL300030154116	0	52	0.0	-73.34	414.43	3.96	-69.38
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C(C)(C)C[NH+](C)C)C1	REAL300030154117	0	57	0.0	-67.71	406.40	4.90	-62.81
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1	REAL300030154154	0	55	0.0	-72.80	399.89	4.91	-67.89
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1	REAL300030154154	1	55	0.0	-66.24	407.45	5.09	-61.15
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC(O)C[NH+](C)C)C1	REAL300030154178	0	55	0.0	-74.86	419.35	2.57	-72.29
C=CCC(C(=O)N1CCCC(CC=C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030154200	0	55	0.0	-60.89	408.47	5.05	-55.84
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2(C)CC[NH+](C)CC2)C1	REAL300030154213	0	58	0.0	-55.93	414.10	5.04	-50.89
C=CCC1(NC(=O)CSCC[NH+](C)C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030154271	0	55	0.0	-64.89	432.09	5.41	-59.48
C[N@@H+]1CCCC1C(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030154432	0	51	0.0	-72.18	399.32	1.69	-70.49
C[N@H+]1CCCC1C(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030154432	1	51	0.0	-72.99	399.91	1.81	-71.18
CC1=[NH+]C=CN1CC(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030154593	1	49	0.0	-71.32	403.51	2.29	-69.03
C[C@@H]1[C@H](C(=O)NC23CC(C)(C2)OC32CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030154614	0	54	0.0	-75.25	402.81	1.48	-73.77
C[C@@H]1[C@H](C(=O)NC23CC(C)(C2)OC32CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030154614	1	54	0.0	-75.89	416.89	2.00	-73.89
C[N@H+](CC(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030154649	0	54	0.0	-73.76	420.01	2.69	-71.07
C[N@@H+](CC(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030154649	1	54	0.0	-74.21	419.91	2.68	-71.53
C[NH+]1CCC(C(=O)NC23CC(C)(C2)OC32CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030154680	0	54	0.0	-75.43	418.38	2.37	-73.06
CC1=C[NH+]=CN1CC(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030154706	1	49	0.0	-74.46	403.84	3.02	-71.44
C[N@@H+]1CCC(CC(=O)NC23CC(C)(C2)OC32CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030154713	0	54	0.0	-74.89	420.91	2.27	-72.62
C[N@H+]1CCC(CC(=O)NC23CC(C)(C2)OC32CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030154713	1	54	0.0	-76.74	418.23	2.13	-74.61
CCC(C(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030154716	0	53	0.0	-72.60	403.70	1.75	-70.85
C[NH+](C)CCCCC(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030154732	0	56	0.0	-74.84	439.16	2.85	-71.99
CCC[N@H+](C)CCC(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030154737	0	56	0.0	-76.36	435.39	2.67	-73.69
CCC[N@@H+](C)CCC(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030154737	1	56	0.0	-76.40	435.67	2.65	-73.75
CCC[N@H+](C)CC(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030154738	0	53	0.0	-76.02	413.02	2.12	-73.90
CCC[N@@H+](C)CC(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030154738	1	53	0.0	-76.15	413.02	2.11	-74.04
C[N@@H+]1CCC[C@@H]1C(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030154752	0	51	0.0	-79.07	391.92	1.05	-78.02
C[N@H+]1CCC[C@@H]1C(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030154752	1	51	0.0	-71.56	400.50	1.72	-69.84
CC[NH+](CC)CC(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030154763	0	53	0.0	-73.99	405.44	1.77	-72.22
C[NH+](C)CC1(C(=O)NC23CC(C)(C2)OC32CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030154811	0	54	0.0	-71.43	426.49	2.49	-68.94
C[NH+]1CCC(C(=O)NC23CC(C)(C2)OC32CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030154830	0	54	0.0	-75.43	418.38	2.37	-73.06
CC[N@H+](C)CCC(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030154867	0	53	0.0	-75.68	413.89	1.92	-73.76
CC[N@@H+](C)CCC(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030154867	1	53	0.0	-75.55	413.89	1.93	-73.62
CC1CCC[N@@H+]1CC(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030154878	0	54	0.0	-72.85	418.43	2.46	-70.39
CC1CCC[N@H+]1CC(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030154878	1	54	0.0	-52.20	418.07	3.12	-49.08
CC1CC[N@H+](CC(=O)NC23CC(C)(C2)OC32CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030154879	0	54	0.0	-75.28	419.43	2.35	-72.93
CC1CC[N@@H+](CC(=O)NC23CC(C)(C2)OC32CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030154879	1	54	0.0	-75.16	420.08	2.45	-72.71
CC[C@@H](C(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030154881	0	53	0.0	-73.19	403.87	1.75	-71.44
C[NH+](C)CC(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030154914	0	47	0.0	-76.37	373.80	0.71	-75.66
CN1C=C[N+](CC(=O)NC23CC(C)(C2)OC32CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030154915	0	49	0.0	-72.39	405.03	4.22	-68.17
C[N@@H+]1CCCC(C(=O)NC23CC(C)(C2)OC32CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030154918	0	54	0.0	-71.44	412.25	2.55	-68.89
C[N@H+]1CCCC(C(=O)NC23CC(C)(C2)OC32CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030154918	1	54	0.0	-74.68	418.70	2.29	-72.39
CC(C(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030154926	1	51	0.0	-73.38	399.46	1.53	-71.85
C[N@H+](CC(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030154936	0	51	0.0	-73.01	403.06	2.11	-70.90
C[N@@H+](CC(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030154936	1	51	0.0	-73.81	403.48	2.09	-71.72
C[NH+]1CC(CC(=O)NC23CC(C)(C2)OC32CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030154946	0	51	0.0	-74.78	405.21	1.53	-73.25
C[C@@H](C(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030154959	0	50	0.0	-73.87	391.74	1.14	-72.73
C[N@H+](CCO)CCC(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030154996	0	54	0.0	-75.35	424.53	-1.32	-76.67
C[N@@H+](CCO)CCC(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030154996	1	54	0.0	-75.34	424.23	-1.31	-76.65
C[C@@H](C(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030154997	0	50	0.0	-73.87	391.74	1.14	-72.73
C[N@@H+]1CCCC[C@@H]1C(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030155000	0	54	0.0	-72.91	406.67	2.13	-70.78
C[N@H+]1CCCC[C@@H]1C(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030155000	1	54	0.0	-71.35	416.02	2.28	-69.07
C[N@@H+]1CCC(=CC(=O)NC23CC(C)(C2)OC32CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030155033	0	52	0.0	-77.03	412.53	2.26	-74.77
C[N@H+]1CCC(=CC(=O)NC23CC(C)(C2)OC32CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030155033	1	52	0.0	-76.55	412.88	2.25	-74.30
C[NH+](C)CCOCC(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030155042	0	54	0.0	-73.12	429.66	1.65	-71.47
C[C@H](C(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030155052	0	50	0.0	-73.16	391.96	1.10	-72.06
CC1C[NH+](CC(=O)NC23CC(C)(C2)OC32CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030155068	1	51	0.0	-75.86	403.87	1.87	-73.99
C[N@H+](CCO)CC(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030155080	1	51	0.0	-76.30	401.88	-1.86	-78.16
C[N@@H+](CCO)CC(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030155080	1	51	0.0	-75.40	401.63	-1.84	-77.24
CC(CC(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030155090	0	56	0.0	-74.98	430.98	2.71	-72.27
CC[N@H+](C)CC(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030155092	0	50	0.0	-75.66	391.81	1.34	-74.32
CC[N@@H+](C)CC(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030155092	1	50	0.0	-75.60	391.53	1.38	-74.22
CC[N@H+](CC(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030155104	0	54	0.0	-72.31	423.28	2.74	-69.57
CC[N@@H+](CC(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030155104	1	54	0.0	-72.98	420.15	2.68	-70.30
CC[NH+](CC)CCC(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030155110	0	56	0.0	-74.85	427.40	2.35	-72.50
C[NH+](C)CC=CC(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030155124	0	51	0.0	-80.77	409.12	1.78	-78.99
COCC[N@H+](C)CC(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030155131	1	54	0.0	-75.31	423.91	0.54	-74.77
COCC[N@@H+](C)CC(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030155131	1	54	0.0	-76.52	424.13	0.54	-75.98
CC(CCC(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030155141	0	56	0.0	-73.78	431.08	2.43	-71.35
CC[N@@H+]1CCC1C(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030155147	1	51	0.0	-52.70	404.47	2.41	-50.29
CC[N@H+]1CCC1C(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030155147	1	51	0.0	-73.50	398.48	1.41	-72.09
C=CCC(C(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030155170	0	54	0.0	-73.16	420.80	2.35	-70.81
CC12CC(NC(=O)C[NH+]3CC4CC4C3)(C1)C1(CN(C(=O)C3=CC(=O)[N-]O3)C1)O2	REAL300030155177	0	52	0.0	-75.80	409.13	2.59	-73.21
CCCC(C(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030155185	0	56	0.0	-73.72	429.01	2.64	-71.08
C[N@@H+]1CCCCC1C(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030155195	0	54	0.0	-54.25	414.57	3.03	-51.22
C[N@H+]1CCCCC1C(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030155195	1	54	0.0	-73.67	406.45	2.13	-71.54
CC12CC(NC(=O)CC[NH+]3CCCC3)(C1)C1(CN(C(=O)C3=CC(=O)[N-]O3)C1)O2	REAL300030155230	0	54	0.0	-75.24	422.12	2.44	-72.80
CC(C[NH+](C)C)C(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030155269	0	53	0.0	-74.69	412.20	1.98	-72.71
CC(C(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300030155290	1	54	0.0	-72.32	422.55	2.35	-69.97
CC1CC[N@@H+]1CC(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030155291	1	51	0.0	-74.06	399.42	1.57	-72.49
CC1CC[N@H+]1CC(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030155291	1	51	0.0	-74.67	405.17	1.82	-72.85
C[NH+](C)CC(O)CC(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030155292	0	54	0.0	-77.78	426.28	-0.33	-78.11
C[NH+](C)[C@H]1C[C@H](C(=O)NC23CC(C)(C2)OC32CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030155323	0	54	0.0	-75.46	423.58	2.46	-73.00
CC(CC[NH+](C)C)C(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030155325	0	56	0.0	-74.48	433.83	2.60	-71.88
CC12CC(NC(=O)CSC(N)=[NH2+])(C1)C1(CN(C(=O)C3=CC(=O)[N-]O3)C1)O2	REAL300030155345	0	45	0.0	-74.95	382.33	-2.42	-77.37
C[N@@H+]1CCC[C@H]1C(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030155405	0	51	0.0	-72.47	400.03	1.71	-70.76
C[N@H+]1CCC[C@H]1C(=O)NC12CC(C)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030155405	1	51	0.0	-73.91	393.87	1.29	-72.62
CC12CC(NC(=O)C[NH+]3CCCCC3)(C1)C1(CN(C(=O)C3=CC(=O)[N-]O3)C1)O2	REAL300030155414	0	54	0.0	-75.37	415.52	2.58	-72.79
CC1C(C(=O)NC23CC(C)(C2)OC32CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030155417	0	54	0.0	-72.24	419.70	2.27	-69.97
CC1C(C(=O)NC23CC(C)(C2)OC32CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030155417	1	54	0.0	-72.39	415.03	1.92	-70.47
C[N@@H+]1CCCC1C(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030155595	0	51	0.0	-62.83	400.51	1.70	-61.13
C[N@H+]1CCCC1C(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030155595	1	51	0.0	-63.23	401.44	1.86	-61.37
C[N@@H+]1CCOC(C(=O)N2CC3(C2)OC2(C)CC3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030155621	1	52	0.0	-77.90	408.49	1.19	-76.71
C[N@H+]1CCOC(C(=O)N2CC3(C2)OC2(C)CC3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030155621	1	52	0.0	-69.92	401.47	1.00	-68.92
C[N@@H+]1CCC(CC(=O)N2CC3(C2)OC2(C)CC3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030155773	0	54	0.0	-69.32	422.78	2.37	-66.95
C[N@H+]1CCC(CC(=O)N2CC3(C2)OC2(C)CC3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030155773	1	54	0.0	-70.11	422.05	2.41	-67.70
CCC(C(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030155776	0	53	0.0	-57.25	402.03	2.46	-54.79
C[NH+](C)CCCCC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030155791	0	56	0.0	-70.74	441.11	2.96	-67.78
CC(C)C(C(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030155797	0	56	0.0	-64.21	420.69	2.53	-61.68
CCC[N@H+](C)CCC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030155798	0	56	0.0	-69.12	437.58	2.79	-66.33
CCC[N@@H+](C)CCC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030155798	1	56	0.0	-61.29	436.25	3.50	-57.79
CCC[N@H+](C)CC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030155799	0	53	0.0	-58.14	413.89	2.94	-55.20
CCC[N@@H+](C)CC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030155799	1	53	0.0	-58.88	413.90	2.94	-55.94
C[NH+](C)CC1(C(=O)N2CC3(C2)OC2(C)CC3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030155844	0	54	0.0	-73.98	417.13	2.99	-70.99
CC[N@H+](C)CCC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030155852	0	53	0.0	-68.50	416.08	2.04	-66.46
CC[N@@H+](C)CCC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030155852	1	53	0.0	-60.59	414.76	2.76	-57.83
C[NH+]1CCC(C(=O)N2CC3(C2)OC2(C)CC3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030155881	0	54	0.0	-68.17	416.88	3.00	-65.17
CC(C)[C@H](C(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030155896	0	56	0.0	-64.39	419.30	2.48	-61.91
C[NH+](C)C1(C(=O)N2CC3(C2)OC2(C)CC3(NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300030155933	0	54	0.0	-68.22	407.40	2.14	-66.08
CC1CCC[N@@H+]1CC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030155959	0	54	0.0	-62.42	414.16	2.21	-60.21
CC1CCC[N@H+]1CC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030155959	1	54	0.0	-56.92	419.25	3.29	-53.63
CC(C)[C@@H](C(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030155973	0	56	0.0	-64.33	417.70	2.71	-61.62
CC1CC[N@H+](CC(=O)N2CC3(C2)OC2(C)CC3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030155981	0	54	0.0	-64.68	422.00	2.46	-62.22
CC1CC[N@@H+](CC(=O)N2CC3(C2)OC2(C)CC3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030155981	1	54	0.0	-64.95	420.80	2.52	-62.43
CC[C@@H](C(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030155984	0	53	0.0	-64.85	408.43	2.00	-62.85
CC1=[NH+]C=CN1CC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030156028	1	49	0.0	-52.75	401.20	3.04	-49.71
CC1=C[NH+]=CN1CC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030156056	1	49	0.0	-66.26	405.73	3.15	-63.11
C[C@@H]1[C@H](C(=O)N2CC3(C2)OC2(C)CC3(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030156058	0	54	0.0	-69.73	412.84	2.14	-67.59
C[C@@H]1[C@H](C(=O)N2CC3(C2)OC2(C)CC3(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030156058	1	54	0.0	-70.24	418.57	2.04	-68.20
C[N@H+](CC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030156100	0	54	0.0	-55.29	420.77	3.51	-51.78
C[N@@H+](CC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030156100	1	54	0.0	-57.90	420.90	3.52	-54.38
C[NH+]1CCC(C(=O)N2CC3(C2)OC2(C)CC3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030156109	0	54	0.0	-68.17	416.88	3.00	-65.17
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030156123	0	51	0.0	-65.45	394.85	1.35	-64.10
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030156123	1	51	0.0	-58.33	392.83	2.34	-55.99
C[N@@H+]1CCCCC1C(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030156172	0	54	0.0	-56.67	405.26	2.65	-54.02
C[N@H+]1CCCCC1C(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030156172	1	54	0.0	-55.29	404.96	2.64	-52.65
CC1C(C(=O)N2CC3(C2)OC2(C)CC3(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030156208	0	54	0.0	-74.30	411.07	1.95	-72.35
CC1C(C(=O)N2CC3(C2)OC2(C)CC3(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030156208	1	54	0.0	-67.03	416.91	2.38	-64.65
C[C@@H](C(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030156253	0	50	0.0	-64.32	393.72	1.25	-63.07
CC12CC(NC(=O)C3=CC(=O)[N-]O3)(C1)C1(CN(C(=O)CC[NH+]3CCCC3)C1)O2	REAL300030156272	0	54	0.0	-60.90	422.99	3.26	-57.64
C[N@H+](CCO)CC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030156277	1	51	0.0	-61.44	402.74	-1.04	-62.48
C[N@@H+](CCO)CC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030156277	1	51	0.0	-57.61	402.54	-1.03	-58.64
CC1C[NH+](CC(=O)N2CC3(C2)OC2(C)CC3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030156335	1	51	0.0	-66.49	407.04	1.89	-64.60
CC12CC(NC(=O)C3=CC(=O)[N-]O3)(C1)C1(CN(C(=O)CC3=CC=C[NH+]=C3N)C1)O2	REAL300030156341	0	50	0.0	-63.17	410.21	0.62	-62.55
CC[N@H+](C)CC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030156377	0	50	0.0	-57.99	392.40	2.19	-55.80
CC[N@@H+](C)CC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030156377	1	50	0.0	-65.74	393.72	1.48	-64.26
COCC[N@H+](C)CC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030156438	1	54	0.0	-56.73	424.75	1.38	-55.35
COCC[N@@H+](C)CC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030156438	1	54	0.0	-61.88	424.99	1.36	-60.52
CC(CCC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030156440	0	56	0.0	-58.25	431.98	3.28	-54.97
CC[N@H+](CC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030156446	0	54	0.0	-62.68	424.95	2.85	-59.83
CC[N@@H+](CC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030156446	1	54	0.0	-59.01	408.30	2.97	-56.04
C[N@@H+]1CC2CC1(C(=O)N1CC3(C1)OC1(C)CC3(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030156461	0	52	0.0	-65.04	402.78	2.77	-62.27
C[N@H+]1CC2CC1(C(=O)N1CC3(C1)OC1(C)CC3(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030156461	1	52	0.0	-67.91	401.15	1.92	-65.99
CC(C[NH+](C)C)C(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030156472	0	53	0.0	-60.12	410.65	2.59	-57.53
C[NH+](C)C1(C(=O)N2CC3(C2)OC2(C)CC3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030156478	0	51	0.0	-67.72	399.80	1.73	-65.99
C[C@H](C(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030156491	0	50	0.0	-65.06	393.20	1.22	-63.84
CC[N@@H+]1CCC1C(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030156494	1	51	0.0	-63.88	399.27	1.46	-62.42
CC[N@H+]1CCC1C(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030156494	1	51	0.0	-65.72	407.32	1.81	-63.91
CC12CC(NC(=O)C3=CC(=O)[N-]O3)(C1)C1(CN(C(=O)C3=C[NH+]=CC=C3N)C1)O2	REAL300030156516	0	47	0.0	-67.22	382.17	-1.13	-68.35
CCCC(C(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030156521	0	56	0.0	-61.16	425.99	3.32	-57.84
C[NH+](C)C(C)(C)C(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030156524	0	53	0.0	-67.00	398.28	1.88	-65.12
CC(CC[NH+](C)C)C(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030156535	0	56	0.0	-54.59	435.88	3.31	-51.28
CC12CC(NC(=O)C3=CC(=O)[N-]O3)(C1)C1(CN(C(=O)C[NH+]3CC4CC4C3)C1)O2	REAL300030156610	0	52	0.0	-65.69	411.45	2.68	-63.01
C[N@@H+]1CCCCC1C(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030156622	0	54	0.0	-56.67	405.26	2.65	-54.02
C[N@H+]1CCCCC1C(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030156622	1	54	0.0	-55.29	404.96	2.64	-52.65
C[N@@H+]1CCC(=CC(=O)N2CC3(C2)OC2(C)CC3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030156653	0	52	0.0	-72.10	413.66	2.34	-69.76
C[N@H+]1CCC(=CC(=O)N2CC3(C2)OC2(C)CC3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030156653	1	52	0.0	-71.47	414.35	2.33	-69.14
CC12CC(NC(=O)C3=CC(=O)[N-]O3)(C1)C1(CN(C(=O)CNC3=CC=[NH+]C=C3)C1)O2	REAL300030156654	0	50	0.0	-67.64	411.46	0.08	-67.56
CCC1C[NH+](CC(=O)N2CC3(C2)OC2(C)CC3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030156683	1	54	0.0	-67.19	428.40	2.65	-64.54
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030156688	0	51	0.0	-63.18	397.39	1.73	-61.45
C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030156688	1	51	0.0	-62.83	393.71	2.04	-60.79
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3(C2)OC2(C)CC3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030156738	0	54	0.0	-69.50	425.70	2.53	-66.97
C[NH+](C)CCOCC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030156758	0	54	0.0	-67.58	431.62	1.91	-65.67
CC12CC(NC(=O)C3=CC(=O)[N-]O3)(C1)C1(CN(C(=O)C[NH+]3CCCCC3)C1)O2	REAL300030156802	0	54	0.0	-58.70	416.39	3.40	-55.30
C[N@@H+]1CCCC(C(=O)N2CC3(C2)OC2(C)CC3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030156803	0	54	0.0	-59.65	416.82	2.94	-56.71
C[N@H+]1CCCC(C(=O)N2CC3(C2)OC2(C)CC3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030156803	1	54	0.0	-50.72	409.12	2.05	-48.67
CN1C=C[N+](CC(=O)N2CC3(C2)OC2(C)CC3(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030156804	0	49	0.0	-64.48	407.20	4.33	-60.15
C[N@H+](CC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030156815	0	51	0.0	-54.96	403.93	2.94	-52.02
C[N@@H+](CC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030156815	1	51	0.0	-63.63	405.41	2.22	-61.41
CC(CC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030156826	0	56	0.0	-70.22	432.93	2.82	-67.40
CC1=CC(N)=[NH+]C=C1C(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030156859	1	50	0.0	-67.29	403.17	0.07	-67.22
C[NH+]1CC(CC(=O)N2CC3(C2)OC2(C)CC3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030156886	0	51	0.0	-69.28	407.03	1.64	-67.64
C[NH+](C)CC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030156893	0	47	0.0	-67.06	375.75	0.81	-66.25
C[N@H+](CCO)CCC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030156903	0	54	0.0	-59.12	425.11	-0.46	-59.58
C[N@@H+](CCO)CCC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030156903	1	54	0.0	-68.04	426.39	-1.17	-69.21
C[C@@H](C(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030156904	0	50	0.0	-64.32	393.72	1.25	-63.07
CC(C(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300030156918	1	54	0.0	-63.94	422.07	2.26	-61.68
CC1CC[N@@H+]1CC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030156919	1	51	0.0	-56.26	400.13	2.35	-53.91
CC1CC[N@H+]1CC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030156919	1	51	0.0	-65.02	407.31	1.88	-63.14
C[NH+](C)CC=CC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030156922	0	51	0.0	-72.64	412.96	2.05	-70.59
CC1(C)C[NH+](CC(=O)N2CC3(C2)OC2(C)CC3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030156926	1	54	0.0	-66.24	426.11	2.38	-63.86
CC[NH+](CC)CC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030156944	0	53	0.0	-55.69	410.72	2.88	-52.81
CC12CC(NC(=O)C3=CC(=O)[N-]O3)(C1)C1(CN(C(=O)C[NH+]3CCC3)C1)O2	REAL300030156950	1	48	0.0	-66.47	385.78	1.32	-65.15
CC[NH+](CC)CCC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030156971	0	56	0.0	-60.14	432.61	3.44	-56.70
CC(C(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030157006	1	51	0.0	-63.95	405.40	1.78	-62.17
C[NH+](C)CC(C)(C)C(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030157011	0	56	0.0	-67.41	418.78	2.03	-65.38
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030157032	0	54	0.0	-64.28	406.01	2.04	-62.24
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030157032	1	54	0.0	-61.83	417.81	2.36	-59.47
C[NH+](C)CC(O)CC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030157043	0	54	0.0	-72.93	428.45	-0.17	-73.10
C=CCC(C(=O)N1CC2(C1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030157057	0	54	0.0	-62.55	419.26	2.27	-60.28
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CCC[N@@H+]1C	REAL300030157254	0	48	0.0	-60.07	360.44	4.10	-55.97
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CCC[N@H+]1C	REAL300030157254	1	48	0.0	-70.14	364.56	3.28	-66.86
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1C[N@H+](C)CCO1	REAL300030157278	1	49	0.0	-86.03	376.16	2.74	-83.29
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1C[N@@H+](C)CCO1	REAL300030157278	1	49	0.0	-75.21	364.64	3.35	-71.86
CC(C)C1=[NH+]C=CN1CCC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030157462	1	55	0.0	-62.07	428.40	5.65	-56.42
CC(C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300030157469	0	57	0.0	-62.52	411.95	4.93	-57.59
CC(C)[N@@H+]1CCCCC1C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030157471	0	57	0.0	-60.26	417.24	5.07	-55.19
CC(C)[N@H+]1CCCCC1C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030157471	1	57	0.0	-61.01	410.12	5.21	-55.80
CC(C)[N@@H+]1CCCC1C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030157505	0	54	0.0	-65.85	395.80	4.80	-61.05
CC(C)[N@H+]1CCCC1C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030157505	1	54	0.0	-69.63	397.76	4.41	-65.22
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CC2CCCC[N@@H+]2C1	REAL300030157531	0	55	0.0	-70.99	410.54	5.25	-65.74
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CC2CCCC[N@H+]2C1	REAL300030157531	1	55	0.0	-70.34	410.72	5.33	-65.01
CC(C)C1=[NH+]C=CN1CC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030157564	1	52	0.0	-61.21	408.65	5.22	-55.99
CC1=[NH+]C=CN1CC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030157618	1	46	0.0	-61.57	372.42	4.11	-57.46
CC(C[NH+]1CCOCC1)C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030157620	0	55	0.0	-68.00	414.26	3.22	-64.78
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CCC[NH+]1CCCCC1	REAL300030157642	0	57	0.0	-68.25	428.46	5.72	-62.53
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C(C)(C)[NH+]1CCCCC1	REAL300030157669	0	57	0.0	-63.06	412.33	5.46	-57.60
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1C[NH+]2CCC1CC2	REAL300030157688	0	52	0.0	-60.70	385.55	4.40	-56.30
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CCCC2CCC[N@@H+]21	REAL300030157746	0	55	0.0	-71.67	396.24	4.77	-66.90
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CCCC2CCC[N@H+]21	REAL300030157746	1	55	0.0	-62.25	400.17	5.09	-57.16
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300030157748	0	54	0.0	-83.67	424.05	3.77	-79.90
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300030157763	0	54	0.0	-73.74	428.93	4.11	-69.63
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300030157770	0	51	0.0	-65.56	379.21	3.65	-61.91
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300030157770	1	51	0.0	-77.17	381.97	3.62	-73.55
CCC1=[NH+]C=CN1C(C)CC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030157773	1	55	0.0	-62.31	428.95	5.70	-56.61
CC[C@@H]1[C@@H](C(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030157776	0	54	0.0	-69.45	400.48	4.30	-65.15
CC[C@@H]1[C@@H](C(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030157776	1	54	0.0	-75.88	399.47	4.55	-71.33
CC[N@@H+]1CCOC(C(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030157802	1	52	0.0	-83.94	393.96	3.38	-80.56
CC[N@H+]1CCOC(C(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030157802	1	52	0.0	-73.59	382.44	3.99	-69.60
CC[NH+](CC)CC(F)C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030157862	0	53	0.0	-71.81	405.91	4.50	-67.31
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=C(C[NH+](C)C)C=CS1	REAL300030157863	0	51	0.0	-62.48	399.82	5.67	-56.81
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[NH+]1C(C)CCC1C	REAL300030157968	0	54	0.0	-61.67	400.08	4.49	-57.18
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CCC[NH+]1CCCC1	REAL300030157975	0	54	0.0	-68.16	412.79	5.02	-63.14
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300030157976	0	54	0.0	-72.72	412.36	6.54	-66.18
C#CC[NH+]1CCC(C(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030157983	0	53	0.0	-71.39	412.23	5.31	-66.08
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC[NH+]1CCCCC1	REAL300030157984	0	54	0.0	-66.77	406.99	4.92	-61.85
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CC=CC=C1C[NH+](C)C	REAL300030157988	0	54	0.0	-61.09	414.98	6.29	-54.80
CC[N@@H+]1CCCCC1C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030157997	0	54	0.0	-63.60	394.41	4.61	-58.99
CC[N@H+]1CCCCC1C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030157997	1	54	0.0	-71.01	399.29	4.58	-66.43
CC(C)C(C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300030157998	0	60	0.0	-57.52	431.31	5.78	-51.74
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C(C1=CC=CC=C1)[NH+](C)C	REAL300030158001	1	54	0.0	-58.74	417.72	5.98	-52.76
CC(C)C[N@@H+]1CCC(C(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030158027	0	57	0.0	-66.51	429.98	5.58	-60.93
CC(C)C[N@H+]1CCC(C(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030158027	1	57	0.0	-75.82	424.61	5.21	-70.61
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1([NH+](C)C)CCC1	REAL300030158031	0	51	0.0	-65.61	362.40	4.94	-60.67
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C(CN1C=CC=N1)[NH+](C)C	REAL300030158033	1	54	0.0	-64.14	417.11	4.22	-59.92
CC(C)[N@@H+]1CCCC1CC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030158038	0	57	0.0	-62.49	414.63	4.68	-57.81
CC(C)[N@H+]1CCCC1CC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030158038	1	57	0.0	-69.80	408.50	4.45	-65.35
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300030158039	0	58	0.0	-65.81	420.03	5.78	-60.03
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CCC[N@H+]1C1CCCC1	REAL300030158039	1	58	0.0	-62.49	429.98	5.91	-56.58
CC(C)[C@@H](C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030158060	0	53	0.0	-58.16	387.70	4.49	-53.67
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[N@H+](C)C1CCC1	REAL300030158122	0	51	0.0	-63.51	389.11	4.48	-59.03
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[N@@H+](C)C1CCC1	REAL300030158122	1	51	0.0	-62.15	389.21	4.47	-57.68
CC(C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300030158208	0	57	0.0	-60.22	413.71	4.87	-55.35
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CCN(C)C1=CC=[NH+]C=C1	REAL300030158287	0	53	0.0	-69.24	417.44	4.14	-65.10
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030158299	1	50	0.0	-64.84	389.67	4.26	-60.58
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030158299	1	50	0.0	-62.04	396.80	4.88	-57.16
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CCC1CCC[N@@H+]1C	REAL300030158309	0	54	0.0	-68.07	405.74	4.48	-63.59
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CCC1CCC[N@H+]1C	REAL300030158309	1	54	0.0	-69.12	401.98	5.51	-63.61
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C12CCC[NH+](CCC1)C2	REAL300030158322	0	55	0.0	-68.22	401.60	4.76	-63.46
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CCC2CCCC[N@@H+]21	REAL300030158330	0	55	0.0	-63.03	404.60	4.93	-58.10
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CCC2CCCC[N@H+]21	REAL300030158330	1	55	0.0	-61.06	405.01	5.12	-55.94
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C(C)(C)C[NH+]1CCOCC1	REAL300030158338	0	58	0.0	-59.85	423.75	3.58	-56.27
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CCCC[NH+]1CCCC1	REAL300030158358	0	57	0.0	-69.66	434.29	5.81	-63.85
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300030158361	1	54	0.0	-66.92	420.96	6.19	-60.73
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300030158361	1	54	0.0	-68.08	419.65	6.08	-62.00
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CC[NH+](C)CC1	REAL300030158378	0	51	0.0	-68.88	387.55	4.16	-64.72
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=NOC(C[NH+](C)C)=C1	REAL300030158438	1	50	0.0	-77.11	402.18	3.53	-73.58
CC1=C(C(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300030158440	0	49	0.0	-61.68	396.38	6.33	-55.35
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CCCC[N@@H+]1C	REAL300030158483	0	51	0.0	-73.16	372.07	3.75	-69.41
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CCCC[N@H+]1C	REAL300030158483	1	51	0.0	-64.53	377.34	4.02	-60.51
CC(C)C[N@@H+]1CCCC1C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030158514	0	57	0.0	-65.12	415.98	5.78	-59.34
CC(C)C[N@H+]1CCCC1C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030158514	1	57	0.0	-73.44	405.07	4.88	-68.56
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300030158671	0	46	0.0	-76.83	369.92	5.77	-71.06
CC1=[NH+]C=CN1CCCC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030158684	1	52	0.0	-65.17	413.96	5.40	-59.77
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CCCC[NH+]1CCOCC1	REAL300030158688	1	58	0.0	-72.86	441.23	4.08	-68.78
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300030158694	0	54	0.0	-75.75	421.13	5.98	-69.77
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC[NH+]1CCOCC1	REAL300030158695	1	52	0.0	-70.14	398.23	2.49	-67.65
CCC[NH+](CCC)CCCC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030158720	0	62	0.0	-68.56	462.14	6.41	-62.15
CC1=C[NH+]=CN1CC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030158740	1	46	0.0	-67.66	372.76	4.83	-62.83
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CN1C=[NH+]C2=C1CCCC2	REAL300030158751	1	53	0.0	-67.33	414.59	6.56	-60.77
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1(C[NH+](C)C)CCCCC1	REAL300030158795	0	60	0.0	-62.33	419.66	6.77	-55.56
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC[N@H+](C)C1CCCCC1	REAL300030158801	0	60	0.0	-67.47	441.40	6.08	-61.39
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC[N@@H+](C)C1CCCCC1	REAL300030158801	1	60	0.0	-68.54	441.40	6.08	-62.46
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C12CCC[NH+]1CCC2	REAL300030158806	0	52	0.0	-67.62	388.75	4.56	-63.06
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CCCC([NH+](C)C)C1	REAL300030158845	0	57	0.0	-63.67	415.29	5.16	-58.51
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC1CC[N@H+](C)C1	REAL300030158850	0	51	0.0	-69.08	390.49	4.19	-64.89
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC1CC[N@@H+](C)C1	REAL300030158850	1	51	0.0	-66.87	390.89	4.18	-62.69
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=C[NH+]=CC=C1N(C)C	REAL300030158864	0	50	0.0	-69.79	394.82	3.37	-66.42
CCC(C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030158870	0	50	0.0	-61.17	371.19	3.64	-57.53
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC1([NH+](C)C)CCCC1	REAL300030158890	0	57	0.0	-67.92	407.93	4.99	-62.93
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300030158955	1	46	0.0	-70.67	364.69	6.56	-64.11
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300030158998	1	49	0.0	-88.31	399.44	3.72	-84.59
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CCCC[NH+](C)C	REAL300030159032	0	53	0.0	-69.92	409.57	4.65	-65.27
CC(C)C(C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030159054	0	53	0.0	-60.64	391.59	4.62	-56.02
CCC[N@H+](C)CCC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030159056	0	53	0.0	-68.37	404.59	4.45	-63.92
CCC[N@@H+](C)CCC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030159056	1	53	0.0	-68.04	404.59	4.46	-63.58
CCC[N@H+](C)CC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030159062	0	50	0.0	-64.77	382.23	3.90	-60.87
CCC[N@@H+](C)CC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030159062	1	50	0.0	-64.87	382.22	3.91	-60.96
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C12CC[N@H+](C1)CCC2	REAL300030159092	0	52	0.0	-66.85	385.09	3.75	-63.10
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C12CC[N@@H+](C1)CCC2	REAL300030159092	1	52	0.0	-70.24	383.80	3.82	-66.42
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)[C@H]1CCC[N@@H+]1C	REAL300030159156	0	48	0.0	-71.06	366.02	3.31	-67.75
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)[C@H]1CCC[N@H+]1C	REAL300030159156	1	48	0.0	-67.69	363.06	3.10	-64.59
CC1CC2CCC(C(=O)NCC3C(C)CCN3C(=O)C3=CC(=O)[N-]O3)C[N@@H+]2C1	REAL300030159183	0	58	0.0	-72.78	426.64	5.63	-67.15
CC1CC2CCC(C(=O)NCC3C(C)CCN3C(=O)C3=CC(=O)[N-]O3)C[N@H+]2C1	REAL300030159183	1	58	0.0	-65.15	422.45	6.35	-58.80
CCCCCC[N@H+](C)CC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030159234	0	59	0.0	-65.85	446.72	6.24	-59.61
CCCCCC[N@@H+](C)CC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030159234	1	59	0.0	-65.97	446.72	6.25	-59.72
CC[NH+](CC)C(C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300030159243	0	59	0.0	-60.67	422.26	6.03	-54.64
CC[NH+](CC)CC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030159253	0	50	0.0	-63.69	374.09	3.57	-60.12
CCC[N@@H+]1CCCC(C(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030159287	0	57	0.0	-74.45	422.54	5.30	-69.15
CCC[N@H+]1CCCC(C(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030159287	1	57	0.0	-62.34	420.41	5.72	-56.62
CC(C)[N@@H+]1CCOC(C(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030159310	0	55	0.0	-73.01	406.34	4.67	-68.34
CC(C)[N@H+]1CCOC(C(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030159310	1	55	0.0	-79.28	404.43	3.74	-75.54
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[NH+]1CCC(C)CC1	REAL300030159350	0	54	0.0	-64.92	406.03	5.00	-59.92
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300030159381	1	49	0.0	-75.52	393.65	4.48	-71.04
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)COC1CC[NH+](C)CC1	REAL300030159390	0	55	0.0	-74.59	422.94	4.58	-70.01
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1(C[NH+](C)C)CC1	REAL300030159407	0	51	0.0	-66.92	374.36	4.28	-62.64
CC1=[NH+]C=C2CCC(C(=O)NCC3C(C)CCN3C(=O)C3=CC(=O)[N-]O3)CN21	REAL300030159408	1	53	0.0	-70.75	407.38	5.03	-65.72
CC(C)[NH+]1CCC(C(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030159509	0	57	0.0	-66.07	418.22	5.10	-60.97
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CC[NH+](C)CC1	REAL300030159539	0	51	0.0	-68.88	387.55	4.16	-64.72
CC(C)[C@H](C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030159562	0	53	0.0	-65.58	389.86	4.10	-61.48
CCC(C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300030159599	0	56	0.0	-58.66	406.59	4.97	-53.69
CC[N@H+](C)CCC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030159694	0	50	0.0	-67.76	383.09	3.70	-64.06
CC[N@@H+](C)CCC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030159694	1	50	0.0	-67.42	383.09	3.71	-63.71
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[N@@H+]1CCCC1C	REAL300030159770	0	51	0.0	-59.52	379.50	4.83	-54.69
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[N@H+]1CCCC1C	REAL300030159770	1	51	0.0	-60.61	390.12	4.22	-56.39
CC1CC[N@H+](CC(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030159772	0	51	0.0	-63.88	388.87	4.24	-59.64
CC1CC[N@@H+](CC(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030159772	1	51	0.0	-62.59	389.67	4.34	-58.25
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1(F)CC[N@@H+](C(C)(C)C)C1	REAL300030159773	0	57	0.0	-56.32	424.96	4.85	-51.47
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1(F)CC[N@H+](C(C)(C)C)C1	REAL300030159773	1	57	0.0	-69.22	421.77	4.54	-64.68
CC1=[NH+]C=C2CC(C(=O)NCC3C(C)CCN3C(=O)C3=CC(=O)[N-]O3)CCN21	REAL300030159775	1	53	0.0	-74.73	408.99	5.03	-69.70
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[N@@H+]1CCC(C)(C)C1	REAL300030159778	0	54	0.0	-61.89	409.14	4.76	-57.13
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[N@H+]1CCC(C)(C)C1	REAL300030159778	1	54	0.0	-73.68	403.73	4.54	-69.14
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[N@H+](C)CC(C)(C)C	REAL300030159779	0	56	0.0	-64.54	413.38	5.09	-59.45
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[N@@H+](C)CC(C)(C)C	REAL300030159779	1	56	0.0	-61.97	411.65	5.08	-56.89
CC[C@@H](C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030159790	0	50	0.0	-64.44	374.55	3.54	-60.90
CC(COCC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCC1	REAL300030159798	0	58	0.0	-64.43	441.54	5.25	-59.18
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CC[NH+](CC2CC2)CC1	REAL300030159886	0	58	0.0	-69.68	436.76	6.35	-63.33
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC1(O)CC[NH+](C)CC1	REAL300030160036	0	55	0.0	-77.15	410.08	2.51	-74.64
COCC[N@@H+]1CCCC1CC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030160043	0	58	0.0	-61.76	423.64	4.39	-57.37
COCC[N@H+]1CCCC1CC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030160043	1	58	0.0	-66.25	434.40	3.54	-62.71
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[NH+](C)C	REAL300030160051	0	44	0.0	-65.56	342.96	2.49	-63.07
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[NH+]1CCC(CO)CC1	REAL300030160056	1	55	0.0	-66.16	416.86	1.69	-64.47
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[NH+]1CCCCCC1	REAL300030160060	0	54	0.0	-62.91	394.07	4.56	-58.35
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[N+]1=CN(C)C=C1	REAL300030160065	0	46	0.0	-62.09	374.22	6.00	-56.09
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CCC[N@H+](C)C1	REAL300030160076	0	51	0.0	-62.82	381.27	4.32	-58.50
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CCC[N@@H+](C)C1	REAL300030160076	1	51	0.0	-65.44	388.78	4.22	-61.22
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CCC[N@@H+]1C1CC1	REAL300030160082	0	52	0.0	-69.25	396.27	4.82	-64.43
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CCC[N@H+]1C1CC1	REAL300030160082	1	52	0.0	-66.12	393.37	4.42	-61.70
CC(C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030160119	1	48	0.0	-64.31	374.05	3.53	-60.78
CCC(CC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030160128	0	56	0.0	-68.21	415.34	5.02	-63.19
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C(C)(C)C[NH+](C)C	REAL300030160137	0	53	0.0	-56.31	390.38	4.19	-52.12
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300030160160	0	53	0.0	-61.24	387.31	5.35	-55.89
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300030160160	1	53	0.0	-61.65	399.86	5.60	-56.05
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[NH+]1CCC(O)CC1	REAL300030160183	1	52	0.0	-68.99	396.26	1.04	-67.95
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[N@H+](C)C1CC1	REAL300030160185	0	48	0.0	-63.02	372.39	3.90	-59.12
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[N@@H+](C)C1CC1	REAL300030160185	1	48	0.0	-61.75	372.26	3.90	-57.85
CC(C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300030160186	1	56	0.0	-67.92	407.54	2.90	-65.02
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC1C[NH+](C)C1	REAL300030160215	0	48	0.0	-70.15	374.43	3.32	-66.83
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CC[N@@H+]1C1CCCC1	REAL300030160219	0	55	0.0	-63.18	409.88	5.02	-58.16
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CC[N@H+]1C1CCCC1	REAL300030160219	1	55	0.0	-61.85	407.15	5.08	-56.77
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300030160227	0	54	0.0	-71.21	383.44	3.35	-67.86
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CC[N@H+]1C(C)(C)C	REAL300030160227	1	54	0.0	-59.86	387.77	4.07	-55.79
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300030160238	0	54	0.0	-65.01	411.07	3.63	-61.38
C[C@@H](C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030160241	0	47	0.0	-60.31	362.26	2.98	-57.33
CCC1CCC[N@H+](CC(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030160293	0	57	0.0	-74.42	419.79	5.40	-69.02
CCC1CCC[N@@H+](CC(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030160293	1	57	0.0	-64.38	424.02	5.60	-58.78
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CC=C(C[NH+](C)C)N1	REAL300030160302	0	52	0.0	-76.18	410.95	3.75	-72.43
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC1CC2CCC(C1)[NH+]2C	REAL300030160317	0	58	0.0	-65.06	408.51	4.81	-60.25
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CN1C=CSC1=[NH2+]	REAL300030160363	0	44	0.0	-59.13	370.06	2.67	-56.46
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC[N@H+](C)CCO	REAL300030160376	0	51	0.0	-66.64	393.44	0.49	-66.15
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC[N@@H+](C)CCO	REAL300030160376	1	51	0.0	-68.16	393.37	0.46	-67.70
C[C@@H](C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030160377	0	47	0.0	-60.31	362.26	2.98	-57.33
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)[C@H]1CCCC[N@@H+]1C	REAL300030160381	0	51	0.0	-72.14	380.63	3.93	-68.21
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)[C@H]1CCCC[N@H+]1C	REAL300030160381	1	51	0.0	-65.18	376.62	4.00	-61.18
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1C[N@@H+]2CCN1CC2C	REAL300030160391	0	54	0.0	-61.65	395.12	1.45	-60.20
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1C[N@H+]2CCN1CC2C	REAL300030160391	1	54	0.0	-74.81	396.90	1.43	-73.38
COC1C[N@@H+]2CCCC2(C(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030160440	0	56	0.0	-62.08	409.91	3.95	-58.13
COC1C[N@H+]2CCCC2(C(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030160440	1	56	0.0	-71.69	414.18	3.10	-68.59
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC1=CC2=C[NH+]=CN2C=C1	REAL300030160456	0	49	0.0	-68.24	397.40	6.68	-61.56
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[N@H+](C)C1CCSC1	REAL300030160489	0	52	0.0	-70.76	402.27	4.74	-66.02
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[N@@H+](C)C1CCSC1	REAL300030160489	1	52	0.0	-67.37	402.48	4.72	-62.65
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[NH+]1CCC1	REAL300030160490	1	45	0.0	-64.62	354.20	2.99	-61.63
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CC=NC(C[NH+](C)C)=C1	REAL300030160528	1	53	0.0	-66.32	418.41	4.25	-62.07
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C=C1CC[N@H+](C)C1	REAL300030160530	0	49	0.0	-79.73	377.45	3.87	-75.86
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C=C1CC[N@@H+](C)C1	REAL300030160530	1	49	0.0	-70.79	382.08	4.07	-66.72
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1C[NH+](C2CCCCC2)C1	REAL300030160557	0	58	0.0	-66.09	435.31	5.87	-60.22
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)COCC[NH+](C)C	REAL300030160575	0	51	0.0	-66.26	398.84	3.55	-62.71
CCCCC[N@H+](C)CCC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030160582	0	59	0.0	-69.21	447.58	6.01	-63.20
CCCCC[N@@H+](C)CCC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030160582	1	59	0.0	-68.90	447.59	6.02	-62.88
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300030160592	0	55	0.0	-69.21	421.58	4.45	-64.76
C=CCC(C)(C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030160604	0	54	0.0	-64.43	397.43	4.90	-59.53
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C(O)CC[S+](C)C	REAL300030160609	0	50	0.0	-62.26	407.81	2.16	-60.10
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1(C)CC(O)C[N@@H+]1C	REAL300030160644	0	52	0.0	-67.43	368.42	1.76	-65.67
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CN(C)CC[N@H+](C)C1	REAL300030160659	0	56	0.0	-66.55	415.03	2.33	-64.22
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CN(C)CC[N@@H+](C)C1	REAL300030160659	1	56	0.0	-66.55	415.03	2.33	-64.22
CC(C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300030160660	0	55	0.0	-62.66	404.66	2.00	-60.66
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CN1CCC(CO)CC1	REAL300030160675	0	55	0.0	-66.16	416.86	1.69	-64.47
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[NH+]1CCC(CO)CC1	REAL300030160675	1	55	0.0	-66.16	416.86	1.69	-64.47
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC1(O)CCC[N@H+](C)C1	REAL300030160685	0	55	0.0	-75.45	407.02	2.75	-72.70
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC1(O)CCC[N@@H+](C)C1	REAL300030160685	1	55	0.0	-75.45	407.02	2.75	-72.70
CC1CN(CC(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030160689	0	48	0.0	-64.84	364.40	4.18	-60.66
CC1C[NH+](CC(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030160689	1	48	0.0	-64.84	364.40	4.18	-60.66
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CN(C)CCO	REAL300030160719	0	48	0.0	-66.87	371.08	-0.08	-66.95
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[N@H+](C)CCO	REAL300030160719	1	48	0.0	-64.56	370.84	-0.09	-64.65
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[N@@H+](C)CCO	REAL300030160719	1	48	0.0	-64.56	370.84	-0.09	-64.65
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C=C1CC2CCC(C1)[NH+]2C	REAL300030160742	0	56	0.0	-68.09	416.87	5.38	-62.71
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1C[N@@H+]2CCN1CCC2	REAL300030160747	0	54	0.0	-66.49	389.70	2.37	-64.12
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1C[N@H+]2CCN1CCC2	REAL300030160747	1	54	0.0	-66.49	389.70	2.37	-64.12
CC[N@@H+]1CCCC(C(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030160756	0	54	0.0	-64.13	406.39	4.85	-59.28
CC[N@H+]1CCCC(C(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030160756	1	54	0.0	-64.13	406.39	4.85	-59.28
CC(CC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030160758	0	53	0.0	-67.72	401.07	4.52	-63.20
CC[N@H+](C)CC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030160774	0	47	0.0	-64.66	360.73	3.15	-61.51
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C12CCC[N@@H+]1CCCC2	REAL300030160803	0	55	0.0	-52.90	390.21	5.70	-47.20
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C12CCC[N@H+]1CCCC2	REAL300030160803	1	55	0.0	-52.90	390.21	5.70	-47.20
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C12CCC[N@@H+]1CC=CC2	REAL300030160813	0	53	0.0	-55.34	377.43	5.26	-50.08
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C12CCC[N@H+]1CC=CC2	REAL300030160813	1	53	0.0	-55.34	377.43	5.26	-50.08
CC[N@H+](CC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030160841	0	51	0.0	-62.18	388.65	4.48	-57.70
CC[NH+](CC)CCC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030160866	0	53	0.0	-66.58	396.55	4.13	-62.45
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C=C1CC[NH+](C)CC1	REAL300030160885	0	52	0.0	-71.75	397.66	4.89	-66.86
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CCCC[NH+]1CCCCC1	REAL300030160906	0	60	0.0	-69.60	449.96	6.50	-63.10
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[N@@H+]1CCC(C)(O)C1	REAL300030160941	0	52	0.0	-63.60	399.21	0.90	-62.70
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[N@H+]1CCC(C)(O)C1	REAL300030160941	1	52	0.0	-62.12	400.54	0.99	-61.13
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C=CC[NH+](C)C	REAL300030160954	0	48	0.0	-73.17	378.92	3.70	-69.47
CC(OCC[NH+](C)C)C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030160981	0	54	0.0	-63.06	418.62	4.24	-58.82
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CCOCC[NH+](C)C	REAL300030160992	0	54	0.0	-69.35	420.90	3.34	-66.01
COCC[N@H+](C)CC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030160993	1	51	0.0	-63.91	393.09	2.31	-61.60
COCC[N@@H+](C)CC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030160993	1	51	0.0	-66.90	393.32	2.33	-64.57
COCCCC[N@H+](C)CCC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030161025	0	60	0.0	-71.94	459.76	4.30	-67.64
COCCCC[N@@H+](C)CCC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030161025	1	60	0.0	-71.65	459.76	4.31	-67.34
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1([NH+](C)C)CCCC1	REAL300030161051	0	54	0.0	-49.77	384.23	4.93	-44.84
CC(CCC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030161054	0	53	0.0	-65.18	397.07	4.18	-61.00
CC[N@@H+]1CCC1C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030161064	1	48	0.0	-61.03	366.90	3.47	-57.56
CC[N@H+]1CCC1C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030161064	1	48	0.0	-64.72	374.64	3.51	-61.21
CC(C)[N@@H+]1CCCC(C(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030161077	0	57	0.0	-62.99	423.07	5.31	-57.68
CC(C)[N@H+]1CCCC(C(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030161077	1	57	0.0	-72.90	417.76	5.04	-67.86
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[N@@H+]1CCCC1CO	REAL300030161092	0	52	0.0	-63.78	392.63	0.56	-63.22
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[N@H+]1CCCC1CO	REAL300030161092	1	52	0.0	-61.84	384.31	1.11	-60.73
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CC2CCCC[N@@H+]2C1	REAL300030161119	0	55	0.0	-70.99	410.54	5.25	-65.74
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CC2CCCC[N@H+]2C1	REAL300030161119	1	55	0.0	-70.34	410.72	5.33	-65.01
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1(C)CC[NH+](C)CC1	REAL300030161128	0	54	0.0	-57.65	400.25	4.57	-53.08
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CC(C[NH+](C)C)=CN1	REAL300030161134	0	52	0.0	-68.95	400.98	4.28	-64.67
CC(C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300030161155	1	55	0.0	-66.90	413.08	1.47	-65.43
C=CCC(C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030161171	0	51	0.0	-64.20	386.41	3.95	-60.25
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CC(C)(C)C[N@@H+]1C	REAL300030161189	0	54	0.0	-74.98	398.77	3.94	-71.04
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CC(C)(C)C[N@H+]1C	REAL300030161189	1	54	0.0	-71.82	404.52	4.52	-67.30
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CCCCC[NH+](C)C	REAL300030161194	0	56	0.0	-70.51	431.07	5.44	-65.07
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[NH+]1CC2CC2C1	REAL300030161205	0	49	0.0	-64.38	378.32	4.37	-60.01
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1C[N@@H+]2CCN1C(C)C2	REAL300030161242	0	54	0.0	-87.20	392.51	1.34	-85.86
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1C[N@H+]2CCN1C(C)C2	REAL300030161242	1	54	0.0	-68.56	385.96	1.96	-66.60
CCCC(C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030161243	0	53	0.0	-61.62	398.17	4.40	-57.22
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C(C)(C)[NH+](C)C	REAL300030161248	0	50	0.0	-53.32	365.12	3.94	-49.38
CC[NH+](CC)CCSCC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030161289	0	57	0.0	-70.85	442.17	5.51	-65.34
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CCCC[N@@H+]1C	REAL300030161301	0	51	0.0	-73.16	372.07	3.75	-69.41
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CCCC[N@H+]1C	REAL300030161301	1	51	0.0	-64.53	377.34	4.02	-60.51
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC1=CC[N@H+](C)CC1	REAL300030161353	0	52	0.0	-68.65	402.11	4.81	-63.84
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC1=CC[N@@H+](C)CC1	REAL300030161353	1	52	0.0	-66.96	402.11	4.80	-62.16
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC1([NH+]2CCCC2)CC1	REAL300030161363	0	55	0.0	-72.66	404.79	5.01	-67.65
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C(C)(C)C1CCC[N@H+](C)C1	REAL300030161422	0	60	0.0	-69.56	434.16	5.70	-63.86
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C(C)(C)C1CCC[N@@H+](C)C1	REAL300030161422	1	60	0.0	-69.56	434.16	5.70	-63.86
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CC=C(CN(C)C)O1	REAL300030161427	0	51	0.0	-84.31	404.28	4.09	-80.22
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CC=C(C[NH+](C)C)O1	REAL300030161427	1	51	0.0	-84.31	404.28	4.09	-80.22
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C=CC[NH+]1CCCC1	REAL300030161451	0	52	0.0	-71.55	405.27	4.91	-66.64
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CC[NH+](C2CC2)CC1	REAL300030161478	0	55	0.0	-66.16	412.41	5.36	-60.80
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC[NH+]1CCCC1	REAL300030161507	0	51	0.0	-67.10	391.32	4.22	-62.88
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1C[NH+]2CCN1CC2	REAL300030161554	0	51	0.0	-62.67	370.60	1.50	-61.17
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C12CC(C1)C[N@@H+]2C	REAL300030161565	0	49	0.0	-59.99	375.17	3.75	-56.24
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[N@@H+]1CC2CCC1C2	REAL300030161581	0	52	0.0	-60.67	381.11	5.09	-55.58
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[N@H+]1CC2CCC1C2	REAL300030161581	1	52	0.0	-60.67	381.11	5.09	-55.58
CC(C)[NH+]1CCC(CC(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030161593	0	60	0.0	-68.12	436.86	5.81	-62.31
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C=C1C[NH+]2CCC1CC2	REAL300030161644	0	53	0.0	-65.22	399.10	4.88	-60.34
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CN1CC2C=CC1C2	REAL300030161656	0	50	0.0	-58.83	383.01	4.38	-54.45
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[N@@H+]1CC2C=CC1C2	REAL300030161656	1	50	0.0	-61.79	383.50	4.46	-57.33
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[N@H+]1CC2C=CC1C2	REAL300030161656	1	50	0.0	-61.79	383.50	4.46	-57.33
CC(C[NH+](C)C)C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030161721	0	50	0.0	-65.23	380.80	3.88	-61.35
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC1CCCC[N@@H+]1C	REAL300030161823	0	54	0.0	-68.45	391.56	4.33	-64.12
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC1CCCC[N@H+]1C	REAL300030161823	1	54	0.0	-68.45	391.56	4.33	-64.12
CC1=C2C=C(C(=O)NCC3C(C)CCN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=N1	REAL300030161846	0	49	0.0	-68.28	386.64	7.11	-61.17
CC1=C2C=C(C(=O)NCC3C(C)CCN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030161846	1	49	0.0	-68.28	386.64	7.11	-61.17
CC(C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300030161847	1	51	0.0	-72.26	388.94	3.96	-68.30
CC1CC[N@@H+]1CC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030161851	1	48	0.0	-72.36	365.55	3.10	-69.26
CC1CC[N@H+]1CC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030161851	1	48	0.0	-63.82	375.40	3.55	-60.27
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC(O)C[NH+](C)C	REAL300030161856	0	51	0.0	-70.59	396.91	1.52	-69.07
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1C[N@H+](C)CC(C)O1	REAL300030161894	1	52	0.0	-71.13	401.57	3.68	-67.45
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1C[N@@H+](C)CC(C)O1	REAL300030161894	1	52	0.0	-76.46	395.58	3.61	-72.85
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC[NH+]1CCC(O)CC1	REAL300030161906	0	55	0.0	-70.82	417.63	1.55	-69.27
CCC[N@@H+]1CCCCC1C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030161909	0	57	0.0	-71.35	420.18	5.18	-66.17
CCC[N@H+]1CCCCC1C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030161909	1	57	0.0	-71.46	420.81	5.35	-66.11
CC[NH+]1CCN(CCC(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030161914	0	59	0.0	-68.68	441.10	3.12	-65.56
CCN1CC[NH+](CCC(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030161914	1	59	0.0	-68.29	441.57	3.14	-65.15
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300030161917	0	58	0.0	-76.52	409.91	5.06	-71.46
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300030161917	1	58	0.0	-68.85	414.28	5.77	-63.08
CC(C)C[NH+]1CCC(C(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030161965	0	60	0.0	-68.96	444.00	6.26	-62.70
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CN1CCC([NH+](C)C)CC1	REAL300030161991	0	59	0.0	-76.06	433.08	2.99	-73.07
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300030162013	0	51	0.0	-74.80	388.57	4.01	-70.79
CC(CC[NH+](C)C)C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030162021	0	53	0.0	-70.47	403.00	4.39	-66.08
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300030162055	0	55	0.0	-71.53	409.44	1.66	-69.87
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O	REAL300030162055	1	55	0.0	-70.91	409.82	1.50	-69.41
C#CC[N@H+]1CCCCC1C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030162064	1	53	0.0	-64.35	401.03	5.17	-59.18
C#CC[N@@H+]1CCCCC1C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030162064	1	53	0.0	-58.29	391.30	5.60	-52.69
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CN1CC[NH+](C)CC1	REAL300030162070	1	53	0.0	-69.02	393.52	2.52	-66.50
CC[NH+]1CCN(CC(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030162079	0	56	0.0	-75.25	416.00	2.41	-72.84
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CSC(N)=[NH2+]	REAL300030162111	0	42	0.0	-66.12	352.13	-0.53	-66.65
CC[N@@H+]1CCOCC1CC(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030162159	0	55	0.0	-68.81	411.11	3.06	-65.75
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1(CC[NH+](C)C)CCCC1	REAL300030162178	0	60	0.0	-57.81	426.55	6.70	-51.11
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC[NH+]1C(C)CCCC1C	REAL300030162180	0	60	0.0	-63.82	433.12	5.57	-58.25
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CCC([NH+](C)C)CC1	REAL300030162183	0	57	0.0	-54.93	415.29	5.16	-49.77
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1(CC[NH+](C)C)CC1	REAL300030162184	0	54	0.0	-62.14	408.52	5.77	-56.37
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300030162188	0	57	0.0	-71.04	416.49	5.28	-65.76
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC1CC=CC[N@@H+]1C	REAL300030162189	0	52	0.0	-80.38	389.57	4.42	-75.96
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC1CC=CC[N@H+]1C	REAL300030162189	1	52	0.0	-80.38	389.57	4.42	-75.96
C[C@@H](OCC[NH+](C)C)C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030162219	0	54	0.0	-68.66	419.62	4.34	-64.32
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CC2CCC(C1)[NH+]2C	REAL300030162253	0	55	0.0	-69.55	383.93	4.91	-64.64
CC(C(=O)NCC1C(C)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300030162406	1	52	0.0	-65.07	396.59	4.56	-60.51
CCC1C[NH+](CC(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030162409	1	51	0.0	-64.44	396.74	4.41	-60.03
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1C[NH+](C2CCOCC2)C1	REAL300030162411	0	56	0.0	-67.57	426.25	3.44	-64.13
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1([NH+]2CCCC2)CCC1	REAL300030162413	0	55	0.0	-60.39	394.23	5.71	-54.68
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)[C@@H]1CCC[N@H+]1C	REAL300030162424	1	48	0.0	-59.68	359.97	4.01	-55.67
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC[N@H+]1CCC(F)C1	REAL300030162434	1	51	0.0	-69.60	398.51	4.40	-65.20
COC1C[N@@H+](C)C(C)(C(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030162443	1	55	0.0	-44.58	402.05	3.62	-40.96
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC[NH+]1CCCCCC1	REAL300030162456	0	57	0.0	-69.34	417.01	5.12	-64.22
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[NH+]1CCCCC1	REAL300030162458	0	51	0.0	-63.96	384.71	4.36	-59.60
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CC[N@H+](C)C1C	REAL300030162468	0	51	0.0	-62.69	376.54	4.41	-58.28
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CC[N@@H+](C)C1C	REAL300030162468	1	51	0.0	-76.43	377.61	3.31	-73.12
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CCC1CCCC[N@@H+]1C	REAL300030162471	0	57	0.0	-65.21	425.08	5.39	-59.82
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CCC1CCCC[N@H+]1C	REAL300030162471	1	57	0.0	-74.62	419.84	5.17	-69.45
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CC[N@@H+]2CCOCC12	REAL300030162507	0	53	0.0	-64.14	385.62	3.25	-60.89
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CC[N@H+]2CCOCC12	REAL300030162507	1	53	0.0	-61.66	398.86	3.17	-58.49
CC1=[NH+]C=C2C=CC(C(=O)NCC3C(C)CCN3C(=O)C3=CC(=O)[N-]O3)=CN21	REAL300030162515	0	49	0.0	-63.63	395.83	5.88	-57.75
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC1COCCN1C	REAL300030162535	0	52	0.0	-83.23	389.71	2.15	-81.08
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC1COCC[N@@H+]1C	REAL300030162535	1	52	0.0	-82.94	390.19	2.03	-80.91
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC1COCC[N@H+]1C	REAL300030162535	1	52	0.0	-83.23	389.71	2.15	-81.08
CC1=C(C)[NH+]=C(CCC(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)N1	REAL300030162546	1	52	0.0	-62.15	413.23	3.78	-58.37
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CCN1CC1=CC=CC=C1	REAL300030162561	0	55	0.0	-60.04	419.63	6.79	-53.25
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300030162561	1	55	0.0	-78.37	430.14	6.30	-72.07
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CC[N@H+]1CC1=CC=CC=C1	REAL300030162561	1	55	0.0	-60.04	419.63	6.79	-53.25
CC(C)C[N@@H+]1CCCC(C(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030162565	0	60	0.0	-59.61	437.85	6.39	-53.22
CC(C)C[N@H+]1CCCC(C(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030162565	1	60	0.0	-65.81	445.06	6.15	-59.66
CC1CCN(C(=O)C2CCC[N@H+]2C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030162732	1	48	0.0	-58.91	367.85	3.47	-55.44
CC1=[NH+]C=CN1CCCC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030162926	1	52	0.0	-64.30	417.19	5.53	-58.77
CC1CCN(C(=O)CCCC[NH+]2CCOCC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030162930	1	58	0.0	-69.77	444.48	4.21	-65.56
CC1CCN(C(=O)C2=CC=C(C[NH+](C)C)C=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030162934	0	54	0.0	-80.29	418.95	5.96	-74.33
CC1CCN(C(=O)CC[NH+]2CCOCC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030162935	1	52	0.0	-68.87	401.51	2.64	-66.23
CCC[NH+](CCC)CCCC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030162954	0	62	0.0	-64.62	455.58	7.07	-57.55
CC1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030162982	1	46	0.0	-76.18	366.50	5.80	-70.38
CC1CCN(C(=O)C2CCCC([NH+](C)C)C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163047	0	57	0.0	-53.84	413.95	5.40	-48.44
CC1CCN(C(=O)CC2CC[N@H+](C)C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163052	0	51	0.0	-73.89	388.66	4.01	-69.88
CC1CCN(C(=O)CC2CC[N@@H+](C)C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163052	1	51	0.0	-64.90	393.49	4.26	-60.64
CCC(C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030163069	0	50	0.0	-66.55	370.52	3.83	-62.72
CC1CCN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163078	1	49	0.0	-79.76	394.26	4.82	-74.94
CC1CC2CCC(C(=O)N3CCC(C)C3CNC(=O)C3=CC(=O)[N-]O3)C[N@@H+]2C1	REAL300030163121	0	58	0.0	-62.35	430.90	5.73	-56.62
CC1CC2CCC(C(=O)N3CCC(C)C3CNC(=O)C3=CC(=O)[N-]O3)C[N@H+]2C1	REAL300030163121	1	58	0.0	-62.31	430.16	5.94	-56.37
CC1CCN(C(=O)CCCC[NH+](C)C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163150	0	53	0.0	-68.04	402.81	5.35	-62.69
CCC[N@H+](C)CCC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163171	0	53	0.0	-66.63	407.78	4.59	-62.04
CCC[N@@H+](C)CCC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163171	1	53	0.0	-66.64	407.80	4.60	-62.04
CCC[N@H+](C)CC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163175	0	50	0.0	-63.27	376.79	4.57	-58.70
CCC[N@@H+](C)CC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163175	1	50	0.0	-61.60	386.13	4.02	-57.58
CC1CCN(C(=O)C23CC[N@H+](C2)CCC3)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163198	0	52	0.0	-68.76	379.57	3.77	-64.99
CC1CCN(C(=O)C23CC[N@@H+](C2)CCC3)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163198	1	52	0.0	-77.49	377.33	3.61	-73.88
CCCCCC[N@H+](C)CC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163237	0	59	0.0	-62.95	450.62	6.37	-56.58
CCCCCC[N@@H+](C)CC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163237	1	59	0.0	-64.66	441.29	6.92	-57.74
CC1CCN(C(=O)C[NH+]2CCC(C)CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163283	0	54	0.0	-64.87	399.51	5.62	-59.25
CC1CCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163308	1	49	0.0	-73.40	394.05	3.79	-69.61
CC1CCN(C(=O)COC2CC[NH+](C)CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163315	0	55	0.0	-73.02	417.26	5.27	-67.75
CC1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163373	0	55	0.0	-70.81	406.74	4.93	-65.88
CC1CCN(C(=O)C2CC3CCCC[N@H+]3C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163373	1	55	0.0	-69.21	404.81	4.98	-64.23
CC1CCN(C(=O)C2(C[NH+](C)C)CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163385	0	51	0.0	-61.16	389.68	4.29	-56.87
CC1=[NH+]C=C2CCC(C(=O)N3CCC(C)C3CNC(=O)C3=CC(=O)[N-]O3)CN21	REAL300030163386	1	53	0.0	-59.59	410.62	5.16	-54.43
CC(C)[NH+]1CCC(C(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030163396	0	57	0.0	-70.32	418.23	5.37	-64.95
CC[N@H+](C)CCC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163430	0	50	0.0	-66.02	386.33	3.83	-62.19
CC[N@@H+](C)CCC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163430	1	50	0.0	-65.80	386.28	3.83	-61.97
CC1CCN(C(=O)C2C[NH+]3CCC2CC3)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163475	0	52	0.0	-64.04	383.88	4.09	-59.95
CC1CCN(C(=O)C2CC[NH+](C)CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163557	0	51	0.0	-73.60	387.60	4.42	-69.18
CC1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163644	0	58	0.0	-71.78	429.94	6.23	-65.55
CC[NH+](CC)CC(F)C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163687	0	53	0.0	-69.67	395.64	4.87	-64.80
CC(C)C[N@@H+]1CCC(C(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030163721	0	57	0.0	-71.37	424.06	5.22	-66.15
CC(C)C[N@H+]1CCC(C(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030163721	1	57	0.0	-65.96	426.22	5.42	-60.54
CCC(C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300030163750	0	56	0.0	-58.18	399.30	5.33	-52.85
CC1CCN(C(=O)C[N@@H+]2CCCC2C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163775	0	51	0.0	-60.38	390.57	4.35	-56.03
CC1CCN(C(=O)C[N@H+]2CCCC2C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163775	1	51	0.0	-67.63	380.68	3.73	-63.90
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163852	1	55	0.0	-60.05	431.63	5.79	-54.26
CC(C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300030163856	0	57	0.0	-60.59	413.79	5.02	-55.57
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163887	0	54	0.0	-69.92	392.49	4.84	-65.08
CC(C)[N@H+]1CCCC1C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163887	1	54	0.0	-59.70	401.25	4.57	-55.13
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163896	0	57	0.0	-64.87	411.78	5.06	-59.81
CC(C)[N@H+]1CCCC1CC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163896	1	57	0.0	-59.39	415.44	4.67	-54.72
CC1CC[N@H+](CC(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030163942	0	51	0.0	-69.93	388.28	4.03	-65.90
CC1CC[N@@H+](CC(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030163942	1	51	0.0	-63.60	382.35	4.89	-58.71
CC1CCN(C(=O)C2(F)CC[N@@H+](C(C)(C)C)C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163943	0	57	0.0	-66.11	420.58	4.62	-61.49
CC1CCN(C(=O)C2(F)CC[N@H+](C(C)(C)C)C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163943	1	57	0.0	-63.72	423.17	4.73	-58.99
CC1=[NH+]C=C2CC(C(=O)N3CCC(C)C3CNC(=O)C3=CC(=O)[N-]O3)CCN21	REAL300030163944	1	53	0.0	-67.37	413.30	5.40	-61.97
CC1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163947	0	54	0.0	-62.14	412.29	4.93	-57.21
CC1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163947	1	54	0.0	-62.04	411.55	4.91	-57.13
CC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163948	0	56	0.0	-61.41	417.47	5.29	-56.12
CC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163948	1	56	0.0	-62.69	406.29	5.60	-57.09
CC[C@@H](C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030163957	0	50	0.0	-62.58	375.69	3.95	-58.63
CC(COCC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCC1	REAL300030163964	0	58	0.0	-66.49	435.53	5.91	-60.58
CC1CCN(C(=O)CCN(C)C2=CC=[NH+]C=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030164109	0	53	0.0	-67.09	420.71	4.27	-62.82
CC1=[NH+]C=CN1CC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030164217	1	46	0.0	-67.29	371.92	4.04	-63.25
CC(C[NH+]1CCOCC1)C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030164219	1	55	0.0	-70.31	410.21	3.29	-67.02
CC1CCN(C(=O)CCC[NH+]2CCCCC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030164237	0	57	0.0	-65.80	431.26	5.82	-59.98
CC1CCN(C(=O)C2=NOC(C[NH+](C)C)=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030164252	1	50	0.0	-73.54	403.36	3.94	-69.60
CC1=C(C(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300030164254	0	49	0.0	-70.31	398.39	6.49	-63.82
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030164300	1	52	0.0	-58.70	412.45	5.41	-53.29
CC1CCN(C(=O)C2CCCC3CCC[N@@H+]32)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030164347	0	55	0.0	-57.88	407.25	5.26	-52.62
CC1CCN(C(=O)C2CCCC3CCC[N@H+]32)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030164347	1	55	0.0	-61.35	397.59	5.17	-56.18
CC[N@@H+]1CCOC(C(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030164378	1	52	0.0	-75.05	381.11	3.88	-71.17
CC[N@H+]1CCOC(C(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030164378	1	52	0.0	-80.75	396.13	3.57	-77.18
CC1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030164440	0	46	0.0	-67.70	366.31	5.79	-61.91
CC1=C[NH+]=CN1CC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030164445	1	46	0.0	-68.72	372.25	4.76	-63.96
CC1CCN(C(=O)C2=CN(CC[NH+](C)C)N=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030164450	0	54	0.0	-74.75	424.29	3.98	-70.77
CC1CCN(C(=O)C2=NN(CC[NH+](C)C)C=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030164463	0	54	0.0	-79.37	428.85	4.43	-74.94
CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030164470	0	51	0.0	-72.64	381.02	3.64	-69.00
CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030164470	1	51	0.0	-71.40	386.93	3.54	-67.86
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030164472	1	55	0.0	-60.97	432.17	5.84	-55.13
CC[C@@H]1[C@@H](C(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030164475	0	54	0.0	-73.06	396.14	3.98	-69.08
CC[C@@H]1[C@@H](C(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030164475	1	54	0.0	-67.84	400.43	5.29	-62.55
CC1CCN(C(=O)C[NH+]2C(C)CCC2C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030164491	0	54	0.0	-59.79	403.24	4.49	-55.30
CC1CCN(C(=O)CCC[NH+]2CCCC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030164498	0	54	0.0	-65.82	416.04	5.16	-60.66
CC1CCN(C(=O)C2=CC=CC(C[NH+](C)C)=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030164499	0	54	0.0	-69.89	415.75	5.67	-64.22
C#CC[NH+]1CCC(C(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030164505	0	53	0.0	-73.05	412.23	5.57	-67.48
CC1CCN(C(=O)CC[NH+]2CCCCC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030164506	0	54	0.0	-65.67	400.97	5.60	-60.07
CC1CCN(C(=O)CN2C=[NH+]C3=C2CCCC3)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030164524	1	53	0.0	-58.38	418.58	6.78	-51.60
CC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030164557	0	60	0.0	-76.62	422.83	5.71	-70.91
CC1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030164561	0	60	0.0	-66.11	444.65	6.21	-59.90
CC1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030164561	1	60	0.0	-67.11	444.65	6.21	-60.90
CC1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030164564	0	57	0.0	-73.05	399.41	4.94	-68.11
CC1CCN(C(=O)C[N@H+](C)C2CCC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030164761	0	51	0.0	-68.46	388.72	4.42	-64.04
CC1CCN(C(=O)C[N@@H+](C)C2CCC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030164761	1	51	0.0	-59.99	392.85	4.66	-55.33
CC(C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300030164786	0	57	0.0	-58.90	413.08	4.65	-54.25
CC1CCN(C(=O)CCCC[NH+]2CCCC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030164805	0	57	0.0	-67.19	437.56	5.94	-61.25
CC1CCN(C(=O)C[N@H+](C)CC2=CC=CC=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030164808	1	54	0.0	-66.89	423.36	6.25	-60.64
CC1CCN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030164808	1	54	0.0	-66.81	423.65	6.30	-60.51
CC1CCN(C(=O)C2CC[NH+](C)CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030164823	0	51	0.0	-73.60	387.60	4.42	-69.18
CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030164875	0	48	0.0	-60.93	367.29	3.55	-57.38
CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030164875	1	48	0.0	-71.51	360.96	2.89	-68.62
CC1CCN(C(=O)CCC2CCC[N@@H+]2C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030164906	0	54	0.0	-66.22	408.00	4.74	-61.48
CC1CCN(C(=O)CCC2CCC[N@H+]2C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030164906	1	54	0.0	-70.43	413.62	5.12	-65.31
CC1CCN(C(=O)C2CCC3CCCC[N@@H+]32)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030164922	0	55	0.0	-56.99	407.42	5.18	-51.81
CC1CCN(C(=O)C2CCC3CCCC[N@H+]32)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030164922	1	55	0.0	-59.22	396.20	5.62	-53.60
CCC[N@@H+]1CCCC(C(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030164999	0	57	0.0	-60.61	410.40	6.06	-54.55
CCC[N@H+]1CCCC(C(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030164999	1	57	0.0	-57.90	419.34	5.98	-51.92
CC(C)[N@@H+]1CCOC(C(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030165015	1	55	0.0	-79.06	413.33	4.26	-74.80
CC(C)[N@H+]1CCOC(C(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030165015	1	55	0.0	-67.10	414.51	4.09	-63.01
CC1CCN(C(=O)C[NH+]2CCC(CO)CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165089	0	55	0.0	-65.01	419.62	1.78	-63.23
CC1CCN(C(=O)C=C2CC3CCC(C2)[NH+]3C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165126	0	56	0.0	-64.03	418.42	5.58	-58.45
CC1CCN(C(=O)C2CC[N@H+](C)C2C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165144	0	51	0.0	-60.91	384.95	3.68	-57.23
CC1CCN(C(=O)C2CC[N@@H+](C)C2C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165144	1	51	0.0	-70.40	388.40	3.78	-66.62
CC1CCN(C(=O)CCC2CCCC[N@@H+]2C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165148	0	57	0.0	-62.84	427.53	5.56	-57.28
CC1CCN(C(=O)CCC2CCCC[N@H+]2C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165148	1	57	0.0	-62.35	427.82	5.66	-56.69
CC1CCN(C(=O)C2=CC3=C(CCC3)[NH+]=C2N)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165181	1	51	0.0	-59.65	397.89	3.55	-56.10
CC1CCN(C(=O)C2CC[N@@H+]2C(C)(C)C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165247	0	54	0.0	-63.61	398.46	4.87	-58.74
CC1CCN(C(=O)C2CC[N@H+]2C(C)(C)C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165247	1	54	0.0	-64.20	387.46	3.55	-60.65
CC1CCN(C(=O)C2CCN(C3=CC=[NH+]C=C3)C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165265	0	54	0.0	-61.37	421.47	3.17	-58.20
C[C@@H](C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030165270	0	47	0.0	-60.94	361.05	3.05	-57.89
CC1CCN(C(=O)C2=CC=NC(C[NH+](C)C)=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165290	1	53	0.0	-64.42	410.40	3.94	-60.48
C=CCC(C)(C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030165296	0	54	0.0	-70.03	379.31	4.66	-65.37
CC[NH+](CC)CCSCC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165329	0	57	0.0	-70.61	435.34	6.23	-64.38
CC1CCN(C(=O)C2=C(N)C3=CC=CC=C3[NH+]=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165330	1	50	0.0	-64.48	395.46	3.01	-61.47
CC1CCN(C(=O)CC[NH+]2CCCC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165335	0	51	0.0	-66.61	392.94	4.25	-62.36
CC1CCN(C(=O)C[N@H+](C)CCO)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165344	1	48	0.0	-65.56	365.65	0.59	-64.97
CC1CCN(C(=O)C[N@@H+](C)CCO)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165344	1	48	0.0	-62.31	374.77	0.11	-62.20
CC1CCN(C(=O)C2C[N@@H+]3CCN2CCC3)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165382	0	54	0.0	-68.41	389.06	2.07	-66.34
CC1CCN(C(=O)C2C[N@H+]3CCN2CCC3)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165382	1	54	0.0	-81.97	385.14	1.72	-80.25
CC(C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300030165409	1	52	0.0	-64.98	403.75	4.53	-60.45
CC1CCN(C(=O)CC2=CC[N@H+](C)CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165453	0	52	0.0	-64.53	405.86	5.03	-59.50
CC1CCN(C(=O)CC2=CC[N@@H+](C)CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165453	1	52	0.0	-62.52	406.03	5.06	-57.46
CC1CCN(C(=O)C(O)CC[S+](C)C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165468	0	50	0.0	-78.10	398.10	2.57	-75.53
CC1CCN(C(=O)C2CN(C)CC[N@H+](C)C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165507	0	56	0.0	-60.48	416.18	2.72	-57.76
CC1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165507	1	56	0.0	-62.29	406.21	2.58	-59.71
CC(C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300030165508	0	55	0.0	-63.07	414.50	1.72	-61.35
CC(C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1)[N@H+]1CCCC(O)C1	REAL300030165508	1	55	0.0	-64.81	411.59	1.68	-63.13
CC1CCN(C(=O)CC2(O)CCC[N@H+](C)C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165547	0	55	0.0	-64.93	403.92	2.81	-62.12
CC1CCN(C(=O)CC2(O)CCC[N@@H+](C)C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165547	1	55	0.0	-62.94	414.13	3.11	-59.83
CC1C[NH+](CC(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030165553	1	48	0.0	-63.71	376.28	3.77	-59.94
CC[N@@H+]1CCCC(C(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030165559	0	54	0.0	-63.94	393.81	4.63	-59.31
CC[N@H+]1CCCC(C(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030165559	1	54	0.0	-63.47	394.39	4.70	-58.77
CC1CCN(C(=O)CC2=CC=C[NH+]=C2N)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165570	0	47	0.0	-66.98	376.74	2.25	-64.73
CC1CCN(C(=O)C2CCC[N@@H+]2C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165583	0	52	0.0	-59.25	402.37	5.07	-54.18
CC1CCN(C(=O)C2CCC[N@H+]2C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165583	1	52	0.0	-58.59	394.89	4.90	-53.69
CC1CCN(C(=O)C=CC[NH+]2CCCC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165633	0	52	0.0	-70.00	398.92	5.60	-64.40
CC1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165658	0	55	0.0	-69.46	405.59	5.22	-64.24
CC[N@H+](C)CC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165703	0	47	0.0	-63.22	355.29	3.83	-59.39
CC1CCN(C(=O)CN2CC3C=CC2C3)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165768	0	50	0.0	-62.87	376.01	5.09	-57.78
CC1CCN(C(=O)C[N@@H+]2CC3C=CC2C3)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165768	1	50	0.0	-62.20	385.65	4.60	-57.60
CC1CCN(C(=O)C[N@H+]2CC3C=CC2C3)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165768	1	50	0.0	-62.20	385.65	4.60	-57.60
CC1=CC=C(NCCC(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)N=C1	REAL300030165791	0	53	0.0	-62.88	415.81	4.57	-58.31
CC1=CC=C(NCCC(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)[NH+]=C1	REAL300030165791	1	53	0.0	-62.88	415.81	4.57	-58.31
CC1CCN(C(=O)C2C[NH+]3CCN2CC3)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165863	0	51	0.0	-61.79	370.75	1.29	-60.50
CC(OCC[NH+](C)C)C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165927	0	54	0.0	-60.01	408.71	4.72	-55.29
CC1CCN(C(=O)CCOCC[NH+](C)C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165939	0	54	0.0	-63.69	414.23	3.92	-59.77
COCC[N@H+](C)CC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165941	1	51	0.0	-63.63	397.03	2.43	-61.20
COCC[N@@H+](C)CC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165941	1	51	0.0	-65.75	387.89	2.99	-62.76
CC1CCN(C(=O)C2C[NH+](C3CCOC3)C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165943	0	53	0.0	-77.59	408.33	2.77	-74.82
CC(CCC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030165948	0	53	0.0	-65.03	390.80	4.87	-60.16
CC1CCN(C(=O)C=C2CC[NH+](C)CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165973	0	52	0.0	-67.90	400.40	5.06	-62.84
CC[N@H+](CC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030165983	0	51	0.0	-61.34	385.54	5.16	-56.18
CC[N@@H+](CC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030165983	1	51	0.0	-62.62	388.28	4.62	-58.00
CC1CCN(C(=O)C2C[N@@H+]3CCN2C(C)C3)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165994	0	54	0.0	-62.92	386.36	1.94	-60.98
CC1CCN(C(=O)C2C[N@H+]3CCN2C(C)C3)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165994	1	54	0.0	-65.23	385.57	1.79	-63.44
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166036	1	51	0.0	-66.15	409.99	3.24	-62.91
CC1CCN(C(=O)C[N@@H+]2CC3CCC2C3)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166044	0	52	0.0	-68.57	386.17	4.24	-64.33
CC1CCN(C(=O)C[N@H+]2CC3CCC2C3)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166044	1	52	0.0	-58.22	391.06	4.48	-53.74
CC(C)[NH+]1CCC(CC(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030166058	0	60	0.0	-64.00	443.73	6.18	-57.82
CC(C[NH+](C)C)C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166072	0	50	0.0	-65.72	379.99	3.73	-61.99
C[C@H](C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030166112	0	47	0.0	-62.43	362.03	3.22	-59.21
CC[N@@H+]1CCC1C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166124	1	48	0.0	-61.26	370.29	3.29	-57.97
CC[N@H+]1CCC1C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166124	1	48	0.0	-58.80	371.13	3.36	-55.44
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030166137	0	57	0.0	-60.15	405.55	5.84	-54.31
CC(C)[N@H+]1CCCC(C(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030166137	1	57	0.0	-55.23	407.69	5.44	-49.79
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166155	0	56	0.0	-64.19	406.35	3.17	-61.02
C#CC[N@H+]1CCCCC1C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166205	1	53	0.0	-64.27	403.49	5.25	-59.02
C#CC[N@@H+]1CCCCC1C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166205	1	53	0.0	-69.75	397.61	5.17	-64.58
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166208	1	50	0.0	-61.55	394.75	3.41	-58.14
CC1CCN(C(=O)C2=C[NH+]=CC=C2N)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166209	0	44	0.0	-70.88	347.38	0.63	-70.25
CCCC(C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030166221	0	53	0.0	-66.20	386.46	4.83	-61.37
CC(CC[NH+](C)C)C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166249	0	53	0.0	-68.78	398.57	4.40	-64.38
CC1CCN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166307	0	58	0.0	-67.56	411.84	5.36	-62.20
CC1CCN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166307	1	58	0.0	-54.74	416.58	5.87	-48.87
COCCCC[N@H+](C)CCC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166384	0	60	0.0	-70.37	462.95	4.44	-65.93
COCCCC[N@@H+](C)CCC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166384	1	60	0.0	-70.34	462.98	4.46	-65.88
CC1CCN(C(=O)C2CC(C)(C)C[N@@H+]2C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166394	0	54	0.0	-61.17	398.44	4.43	-56.74
CC1CCN(C(=O)C2CC(C)(C)C[N@H+]2C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166394	1	54	0.0	-67.46	404.80	4.33	-63.13
CC1CCN(C(=O)CCCCC[NH+](C)C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166400	0	56	0.0	-68.24	424.31	6.13	-62.11
CC1CCN(C(=O)CC[NH+]2CCC(O)CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166405	0	55	0.0	-68.58	420.86	1.65	-66.93
CCC[N@@H+]1CCCCC1C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166410	0	57	0.0	-60.27	423.64	5.67	-54.60
CCC[N@H+]1CCCCC1C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166410	1	57	0.0	-62.82	425.88	5.62	-57.20
CC[NH+]1CCN(CCC(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030166419	0	59	0.0	-65.08	445.35	3.37	-61.71
CCN1CC[NH+](CCC(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030166419	1	59	0.0	-65.91	444.82	3.28	-62.63
CC1CCN(C(=O)CN2CC[NH+](C)CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166423	1	53	0.0	-63.27	396.75	2.67	-60.60
CC(C)C[NH+]1CCC(C(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030166547	0	60	0.0	-71.12	437.18	6.10	-65.02
CC1CCN(C(=O)C2C[N@H+](C)CC(C)O2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166550	1	52	0.0	-86.19	392.41	3.39	-82.80
CC1CCN(C(=O)C2C[N@@H+](C)CC(C)O2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166550	1	52	0.0	-68.52	394.38	3.65	-64.87
CCC1CCC[N@H+](CC(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030166586	0	57	0.0	-72.02	415.98	5.44	-66.58
CCC1CCC[N@@H+](CC(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030166586	1	57	0.0	-61.65	427.79	5.75	-55.90
CC1CCN(C(=O)C2=CC=C(C[NH+](C)C)N2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166596	0	52	0.0	-86.69	407.31	4.22	-82.47
CC1CCN(C(=O)C[NH+]2CC3CC3C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166618	0	49	0.0	-62.85	382.35	4.55	-58.30
CC1CCN(C(=O)CC2([NH+]3CCCC3)CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166636	0	55	0.0	-62.04	411.52	5.51	-56.53
CC([NH2+]C1(CO)CCCC1)C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166653	0	58	0.0	-61.87	425.36	0.61	-61.26
CC1CCN(C(=O)C2CCCC[N@@H+]2C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166682	0	51	0.0	-62.81	387.42	4.23	-58.58
CC1CCN(C(=O)C2CCCC[N@H+]2C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166682	1	51	0.0	-58.45	384.80	4.30	-54.15
CC1CCN(C(=O)C2CC[N@@H+]2CC2=CC=CC=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166688	1	55	0.0	-70.48	425.23	5.77	-64.71
CC1CCN(C(=O)C2CC[N@H+]2CC2=CC=CC=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166688	1	55	0.0	-60.51	431.09	6.39	-54.12
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030166695	0	60	0.0	-58.86	429.73	6.61	-52.25
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030166695	1	60	0.0	-64.15	434.01	6.59	-57.56
CC1CCN(C(=O)CN2CCC([NH+](C)C)CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166750	0	59	0.0	-65.25	431.07	3.87	-61.38
CC1CCN(C(=O)C=C2CC[N@H+](C)C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166815	0	49	0.0	-75.74	378.76	3.95	-71.79
CC1CCN(C(=O)C=C2CC[N@@H+](C)C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166815	1	49	0.0	-67.52	384.01	4.19	-63.33
CC1CCN(C(=O)CNC2=CC=[NH+]C=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166822	0	47	0.0	-66.85	373.03	2.45	-64.40
CC[NH+]1CCN(CC(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030166884	0	56	0.0	-62.43	414.50	3.36	-59.07
CC1CCN(C(=O)C=C2C[NH+]3CCC2CC3)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166885	0	53	0.0	-61.28	401.47	4.99	-56.29
CC1CCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166944	0	55	0.0	-68.85	413.49	1.56	-67.29
CC1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166944	1	55	0.0	-59.07	416.81	1.98	-57.09
CC1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166953	0	56	0.0	-67.80	429.36	3.60	-64.20
CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166968	0	48	0.0	-71.30	360.07	2.95	-68.35
CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166968	1	48	0.0	-59.38	364.38	3.42	-55.96
CCN1CCOCC1CC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167006	0	55	0.0	-74.67	405.80	2.78	-71.89
CC[N@@H+]1CCOCC1CC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167006	1	55	0.0	-68.17	414.25	3.18	-64.99
CC[N@H+]1CCOCC1CC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167006	1	55	0.0	-68.17	414.25	3.18	-64.99
CC1CCN(C(=O)C2C[NH+](C3CCCCC3)C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167032	0	58	0.0	-66.40	437.89	5.93	-60.47
CC1CCN(C(=O)C2=CC=C3NC(N)=NC3=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167108	0	48	0.0	-70.44	385.21	3.75	-66.69
CC1CCN(C(=O)C2=CC=C3NC(N)=[NH+]C3=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167108	1	48	0.0	-70.44	385.21	3.75	-66.69
CC1CCN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167153	0	51	0.0	-74.11	391.47	4.11	-70.00
CC1CCN(C(=O)CC[NH+]2C(C)CCCC2C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167165	0	60	0.0	-60.90	430.73	6.24	-54.66
CC1CCN(C(=O)C2CCC([NH+](C)C)CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167168	0	57	0.0	-74.85	415.55	5.18	-69.67
CC1CCN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167172	0	57	0.0	-49.42	408.54	5.15	-44.27
CC1CCN(C(=O)CC2CC=CC[N@@H+]2C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167173	0	52	0.0	-60.78	392.34	4.63	-56.15
CC1CCN(C(=O)CC2CC=CC[N@H+]2C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167173	1	52	0.0	-75.24	393.54	4.42	-70.82
CC1=CC(C=CC(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)=C[NH+]=C1N	REAL300030167235	1	51	0.0	-69.63	401.77	4.13	-65.50
CC1CCN(C(=O)COCC[NH+](C)C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167250	0	51	0.0	-66.19	402.77	3.80	-62.39
CCCCC[N@H+](C)CCC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167257	0	59	0.0	-67.44	450.78	6.15	-61.29
CCCCC[N@@H+](C)CCC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167257	1	59	0.0	-67.48	450.80	6.17	-61.31
CC1CCN(C(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167269	0	55	0.0	-67.60	411.91	4.95	-62.65
CC1CCN(C(=O)CN2C=CSC2=[NH2+])C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167295	0	44	0.0	-66.97	369.56	2.61	-64.36
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167374	0	54	0.0	-64.88	412.86	4.12	-60.76
CC1CCN(C(=O)CC[NH+]2CCCCCC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167432	0	57	0.0	-66.21	420.24	5.25	-60.96
CC1CCN(C(=O)C[NH+]2CCCCC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167436	0	51	0.0	-62.86	387.95	4.46	-58.40
CC1CCN(C(=O)C2CCC[N@H+](C)C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167438	0	51	0.0	-66.93	386.07	3.92	-63.01
CC1CCN(C(=O)C2CCC[N@@H+](C)C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167438	1	51	0.0	-54.37	373.92	4.25	-50.12
CC1CCN(C(=O)C[NH+]2CCC(CO)CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167440	0	55	0.0	-65.01	419.62	1.78	-63.23
CC1CCN(C(=O)C[NH+]2CCCCCC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167446	0	54	0.0	-63.43	390.41	5.56	-57.87
CC1CCN(C(=O)C[N+]2=CN(C)C=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167453	0	46	0.0	-68.72	373.50	5.93	-62.79
CC1CCN(C(=O)C2=CC=C(C[NH+](C)C)O2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167471	1	51	0.0	-72.31	406.78	4.49	-67.82
CC1CCN(C(=O)C2=CC=C(C[NH+](C)C)N=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167479	0	53	0.0	-76.73	410.13	4.23	-72.50
CC1CCN(C(=O)C[NH+]2CCC(O)CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167493	1	52	0.0	-66.33	399.01	1.12	-65.21
CC1CCN(C(=O)C[N@H+](C)C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167500	0	48	0.0	-61.57	375.64	4.00	-57.57
CC1CCN(C(=O)C[N@@H+](C)C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167500	1	48	0.0	-61.41	366.58	4.56	-56.85
CC(C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300030167502	1	56	0.0	-62.26	413.79	2.24	-60.02
CC1CCN(C(=O)CC[N@@H+]2CCC(F)C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167507	0	51	0.0	-71.08	401.12	4.56	-66.52
CC1CCN(C(=O)CC[N@H+]2CCC(F)C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167507	1	51	0.0	-68.59	391.13	4.96	-63.63
CC(CC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030167542	0	53	0.0	-67.47	394.17	5.20	-62.27
CC1CCN(C(=O)C2CC[N@@H+]3CCOCC23)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167562	0	53	0.0	-77.02	397.94	2.53	-74.49
CC1CCN(C(=O)C2CC[N@H+]3CCOCC23)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167562	1	53	0.0	-66.79	402.53	2.75	-64.04
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(C)C3CNC(=O)C3=CC(=O)[N-]O3)=CN21	REAL300030167570	0	49	0.0	-65.51	387.70	5.56	-59.95
CC1CCN(C(=O)CC2COCC[N@@H+]2C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167591	1	52	0.0	-65.65	385.22	2.08	-63.57
CC1CCN(C(=O)CC2COCC[N@H+]2C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167591	1	52	0.0	-72.54	396.89	2.42	-70.12
CC[NH+]1CCN(CC(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030167602	0	56	0.0	-62.43	414.50	3.36	-59.07
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167656	1	47	0.0	-74.44	369.27	2.02	-72.42
CC1CCN(C(=O)CCC2=CC=C(N)[NH+]=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167659	0	50	0.0	-63.39	405.20	3.12	-60.27
CC1CCN(C(=O)C[N@@H+]2CCC(C)(O)C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167713	0	52	0.0	-70.04	397.95	0.77	-69.27
CC1CCN(C(=O)C[N@H+]2CCC(C)(O)C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167713	1	52	0.0	-65.86	393.11	1.54	-64.32
CC1CCN(C(=O)C2=CC=NN2CC[NH+](C)C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167723	0	54	0.0	-55.36	419.68	4.03	-51.33
CC1CCN(C(=O)CC2C[NH+](C)C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167754	0	48	0.0	-67.74	377.32	3.36	-64.38
CC1CCN(C(=O)C2CC[N@@H+]2C2CCCC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167760	0	55	0.0	-70.47	407.37	4.96	-65.51
CC1CCN(C(=O)C2CC[N@H+]2C2CCCC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167760	1	55	0.0	-65.32	410.42	5.11	-60.21
CC1CCN(C(=O)C[NH+](C)C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167770	0	44	0.0	-65.16	337.31	3.15	-62.01
CC1CCN(C(=O)CC[N@H+](C)CCO)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167811	0	51	0.0	-66.91	396.66	0.63	-66.28
CC1CCN(C(=O)CC[N@@H+](C)CCO)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167811	1	51	0.0	-66.05	396.61	0.60	-65.45
C[C@@H](C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030167812	0	47	0.0	-60.94	361.05	3.05	-57.89
CC1CCN(C(=O)CC2CCCC[N@@H+]2C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167832	0	54	0.0	-64.89	393.80	4.45	-60.44
CC1CCN(C(=O)CC2CCCC[N@H+]2C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167832	1	54	0.0	-67.11	406.57	4.95	-62.16
CC1=C2C=C(C(=O)N3CCC(C)C3CNC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030167858	1	49	0.0	-75.21	392.88	6.57	-68.64
CC(C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300030167859	0	51	0.0	-64.07	384.34	4.19	-59.88
CC1CC[N@@H+]1CC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167864	1	48	0.0	-69.01	367.85	3.26	-65.75
CC1CC[N@H+]1CC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167864	1	48	0.0	-59.64	372.62	3.44	-56.20
CC1CCN(C(=O)C=CC[NH+](C)C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167879	0	48	0.0	-67.69	380.99	3.80	-63.89
CC1CCN(C(=O)C[NH+]2CC(C)(C)C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167893	1	51	0.0	-62.93	397.32	4.31	-58.62
CC1CCN(C(=O)CCCC[NH+]2CCCCC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167907	0	60	0.0	-67.87	443.49	7.16	-60.71
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)N1	REAL300030167920	1	52	0.0	-60.83	407.54	4.47	-56.36
CC1CCN(C(=O)C2(C3CC[NH+](C)CC3)CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167930	0	58	0.0	-69.55	430.20	6.10	-63.45
CC1=C2C=C(C(=O)N3CCC(C)C3CNC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030167939	1	49	0.0	-75.21	392.88	6.57	-68.64
CC1CCN(C(=O)CSCC[NH+](C)C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167949	0	51	0.0	-70.41	413.88	4.67	-65.74
CC1CCN(C(=O)C2=CC3=C(CCCC3)[NH+]=C2N)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167971	1	54	0.0	-59.30	415.75	4.10	-55.20
CC1CCN(C(=O)C[N@@H+]2CCCC2CO)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167979	0	52	0.0	-61.30	399.80	1.18	-60.12
CC1CCN(C(=O)C[N@H+]2CCCC2CO)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167979	1	52	0.0	-70.49	396.92	0.91	-69.58
CC[NH+](CC)CC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167982	0	50	0.0	-62.87	375.81	4.04	-58.83
CC1CCN(C(=O)C[N@H+](C)C2CCSC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167995	0	52	0.0	-69.19	406.04	4.92	-64.27
CC1CCN(C(=O)C[N@@H+](C)C2CCSC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167995	1	52	0.0	-76.55	401.76	4.65	-71.90
CC1CCN(C(=O)C[NH+]2CCC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167997	1	45	0.0	-62.59	357.21	3.20	-59.39
CC[NH+](CC)CCC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030168042	0	53	0.0	-66.08	399.78	4.25	-61.83
CC1CCN(C(=O)C[NH+]2CCC(C(N)=O)CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030168064	0	55	0.0	-77.06	423.83	1.14	-75.92
CC1CCN(C(=O)C2=CC(C[NH+](C)C)=CN2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030168110	0	52	0.0	-75.02	407.31	4.20	-70.82
CC(C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300030168130	0	55	0.0	-67.05	407.06	1.52	-65.53
CC1CCN(C(=O)C2CC3COCC[N@@H+]3C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030168136	0	53	0.0	-74.21	397.81	2.59	-71.62
CC1CCN(C(=O)C2CC3COCC[N@H+]3C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030168136	1	53	0.0	-70.63	397.96	2.61	-68.02
CC(C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030168152	1	48	0.0	-60.37	360.61	3.88	-56.49
CCC(CC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030168162	0	56	0.0	-69.41	409.77	5.88	-63.53
CC1CCN(C(=O)C=CC2=CC=C(N)[NH+]=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030168169	0	48	0.0	-69.98	392.39	2.79	-67.19
CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030168234	0	51	0.0	-68.09	383.08	3.91	-64.18
CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030168234	1	51	0.0	-65.79	377.46	4.17	-61.62
CC1CCN(C(=O)C2C[N@@H+]3CCN2CC3C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030168248	0	54	0.0	-75.06	391.79	0.97	-74.09
CC1CCN(C(=O)C2C[N@H+]3CCN2CC3C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030168248	1	54	0.0	-74.49	395.47	1.41	-73.08
CC1CCN(C(=O)CC(O)C[NH+](C)C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030168273	0	51	0.0	-70.88	389.92	2.19	-68.69
CC1CCN(C(=O)C2CC3CCC(C2)[NH+]3C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030168276	0	55	0.0	-63.10	401.47	4.53	-58.57
C=CCC(C(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030168322	0	51	0.0	-63.82	378.00	4.54	-59.28
CC1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030168332	0	55	0.0	-70.81	406.74	4.93	-65.88
CC1CCN(C(=O)C2CC3CCCC[N@H+]3C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030168332	1	55	0.0	-69.21	404.81	4.98	-64.23
CC1CCN(C(=O)CC2(O)CC[NH+](C)CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030168348	0	55	0.0	-69.03	408.33	3.40	-65.63
COCC[N@@H+]1CCCC1CC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030168363	0	58	0.0	-67.78	434.94	4.03	-63.75
COCC[N@H+]1CCCC1CC(=O)N1CCC(C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030168363	1	58	0.0	-63.83	434.80	4.61	-59.22
CC1CCN(C(=O)CC2CC3CCC(C2)[NH+]3C)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030168372	0	58	0.0	-71.57	403.52	5.58	-65.99
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CC=NN1CC[NH+](C)C	REAL300030168410	0	54	0.0	-81.16	409.99	4.38	-76.78
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1(C2CC[NH+](C)CC2)CC1	REAL300030168457	0	58	0.0	-70.01	428.65	5.81	-64.20
CC1=C2C=C(C(=O)NCC3C(C)CCN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030168469	1	49	0.0	-68.28	386.64	7.11	-61.17
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CSCC[NH+](C)C	REAL300030168480	0	51	0.0	-73.98	409.85	4.42	-69.56
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CC2COCC[N@@H+]2C1	REAL300030168492	0	53	0.0	-63.82	401.41	2.86	-60.96
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1CC2COCC[N@H+]2C1	REAL300030168492	1	53	0.0	-66.78	401.69	2.98	-63.80
CCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168503	1	48	0.0	-75.76	356.61	3.84	-71.92
COCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168504	1	52	0.0	-75.47	390.23	2.91	-72.56
CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168505	1	45	0.0	-75.91	336.24	3.06	-72.85
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CC3)CC2)CC1	REAL300030168506	1	49	0.0	-74.20	366.56	4.57	-69.63
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CCC3)CC2)CC1	REAL300030168507	1	52	0.0	-76.00	382.35	5.06	-70.94
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CCCC3)CC2)CC1	REAL300030168508	1	55	0.0	-74.66	396.16	5.54	-69.12
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CCOCC3)CC2)CC1	REAL300030168509	1	56	0.0	-79.37	407.72	3.90	-75.47
O=C(CC1CC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168510	1	52	0.0	-76.14	387.50	5.38	-70.76
CC(C)(F)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168511	1	51	0.0	-74.91	376.58	4.23	-70.68
CC(F)(F)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168512	1	48	0.0	-72.22	366.12	3.91	-68.31
COCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168513	1	49	0.0	-79.64	369.33	3.23	-76.41
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=CC=CC=N3)CC2)CC1	REAL300030168514	1	51	0.0	-73.37	387.16	4.99	-68.38
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=CC=NC=C3)CC2)CC1	REAL300030168515	1	51	0.0	-78.69	384.55	4.01	-74.68
CCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168516	1	51	0.0	-75.58	378.11	4.60	-70.98
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=CC=CN=C3)CC2)CC1	REAL300030168517	1	51	0.0	-75.98	386.07	4.02	-71.96
O=C(C1=CC=CO1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168518	1	49	0.0	-74.58	373.01	4.03	-70.55
CC(=O)NCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168519	1	52	0.0	-77.13	395.22	1.47	-75.66
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=CC=CC=C3)CC2)CC1	REAL300030168520	1	52	0.0	-76.44	390.24	5.79	-70.65
CC(C)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168521	1	54	0.0	-74.89	394.79	5.21	-69.68
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CCCCC3)CC2)CC1	REAL300030168522	1	58	0.0	-75.19	416.87	6.31	-68.88
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=CN=CC=N3)CC2)CC1	REAL300030168523	1	50	0.0	-74.39	381.39	3.11	-71.28
CC1=CC=CC=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168524	1	55	0.0	-74.61	410.10	6.44	-68.17
O=C(CC1CCCC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168525	1	58	0.0	-75.53	420.38	6.49	-69.04
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=CC=CS3)CC2)CC1	REAL300030168526	1	49	0.0	-76.02	381.49	4.88	-71.14
CC1CC1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168527	1	52	0.0	-74.27	382.45	5.27	-69.00
CC1=CC=CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030168528	1	55	0.0	-75.73	413.47	6.57	-69.16
CCOCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168529	1	52	0.0	-79.56	391.19	4.18	-75.38
CC(C)=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168530	1	52	0.0	-73.52	385.53	5.26	-68.26
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=COCCO3)CC2)CC1	REAL300030168531	1	52	0.0	-78.79	389.46	3.24	-75.55
CC(=O)NC(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168532	1	55	0.0	-76.77	411.38	2.14	-74.63
CC1=CC=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)O1	REAL300030168533	1	52	0.0	-77.63	391.61	4.59	-73.04
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CCCO3)CC2)CC1	REAL300030168534	1	53	0.0	-81.54	389.18	4.25	-77.29
CSCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168535	1	49	0.0	-78.91	379.67	4.31	-74.60
CC1=CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=NO1	REAL300030168536	1	51	0.0	-72.91	389.51	4.50	-68.41
CSCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168537	1	52	0.0	-74.92	401.29	5.08	-69.84
CC(C)CCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168538	1	57	0.0	-75.77	417.18	5.89	-69.88
O=C(C1=CSC=C1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168539	1	49	0.0	-74.73	381.82	4.90	-69.83
CC1=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C=CO1	REAL300030168540	1	52	0.0	-76.09	391.39	4.76	-71.33
O=C(CC1C=CCC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168541	1	56	0.0	-75.22	412.40	6.39	-68.83
O=C(CN1C=NN=N1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168542	1	50	0.0	-93.31	385.37	3.33	-89.98
CN1C=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C=N1	REAL300030168543	1	52	0.0	-76.64	394.23	3.65	-72.99
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CC=CCC3)CC2)CC1	REAL300030168544	1	56	0.0	-75.78	407.23	6.06	-69.72
CC1=NOC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030168545	1	51	0.0	-74.67	389.80	4.04	-70.63
O=C(C1=CC=CN1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168546	1	50	0.0	-79.40	375.56	4.18	-75.22
CC(=O)CCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168547	1	56	0.0	-85.08	422.69	5.30	-79.78
O=C(C1=COC=C1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168548	1	49	0.0	-78.89	373.00	3.99	-74.90
O=C(CN1C=CC=N1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168549	1	52	0.0	-83.81	396.77	4.21	-79.60
CC1=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)OC=C1	REAL300030168550	1	52	0.0	-74.96	391.20	4.86	-70.10
CCCCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168551	1	57	0.0	-75.66	421.10	6.17	-69.49
CC(C)(C)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168552	1	57	0.0	-73.94	409.80	5.73	-68.21
CC1=CC=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C=N1	REAL300030168553	1	54	0.0	-75.92	407.45	4.62	-71.30
CN1C=CC=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168554	1	53	0.0	-75.32	394.39	5.38	-69.94
CCCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168555	1	54	0.0	-75.72	399.61	5.38	-70.34
CC1=CC=CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=N1	REAL300030168556	1	54	0.0	-72.99	408.78	5.56	-67.43
CC(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168557	1	51	0.0	-74.59	373.37	4.25	-70.34
CCC(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168558	1	54	0.0	-74.53	392.04	4.88	-69.65
CC(C)SCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168559	1	55	0.0	-78.50	419.41	5.83	-72.67
CC(=O)N(C)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168560	1	55	0.0	-83.48	412.88	3.80	-79.68
CCC(CC)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168561	1	57	0.0	-76.27	408.43	5.51	-70.76
CC(C)OCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168562	1	58	0.0	-75.14	432.35	4.62	-70.52
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3COCCO3)CC2)CC1	REAL300030168563	1	54	0.0	-78.84	398.60	3.11	-75.73
O=C(C1=NNC=C1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168564	1	49	0.0	-74.28	372.21	2.98	-71.30
O=C(C1=CC=NN1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168564	1	49	0.0	-77.79	370.84	2.78	-75.01
CSC(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168565	1	52	0.0	-77.15	396.39	4.77	-72.38
CCOC(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168566	1	55	0.0	-78.54	406.51	4.61	-73.93
CCOCCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168567	1	58	0.0	-78.77	433.64	4.64	-74.13
O=C(COCC1CC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168568	1	56	0.0	-78.21	422.85	5.76	-72.45
O=C(CC1CCCO1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168569	1	56	0.0	-76.96	409.38	4.61	-72.35
O=C(C1=CNN=C1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168570	1	49	0.0	-76.99	370.53	2.30	-74.69
COCCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168571	1	55	0.0	-78.83	411.78	3.67	-75.16
CCSCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168572	1	55	0.0	-74.73	422.81	5.96	-68.77
CCOC1CC1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168573	1	56	0.0	-78.07	419.39	5.81	-72.26
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=NSN=C3)CC2)CC1	REAL300030168574	1	47	0.0	-72.60	370.29	2.52	-70.08
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=CN=NS3)CC2)CC1	REAL300030168575	1	47	0.0	-82.37	368.02	2.21	-80.16
COC(=O)NCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168576	1	53	0.0	-77.72	406.06	0.89	-76.83
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=NOC=C3)CC2)CC1	REAL300030168577	1	48	0.0	-73.13	367.52	3.63	-69.50
CCCSCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168578	1	55	0.0	-78.49	422.64	6.00	-72.49
CC(=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030168579	1	56	0.0	-73.77	413.39	6.67	-67.10
CC1=NNC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030168580	1	52	0.0	-76.92	393.85	3.33	-73.59
CC1=CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=NN1	REAL300030168580	1	52	0.0	-76.78	390.21	3.15	-73.63
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=CN=CS3)CC2)CC1	REAL300030168581	1	48	0.0	-78.65	376.42	3.02	-75.63
CCC=C(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168582	1	55	0.0	-75.34	411.04	5.83	-69.51
CC1=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)N=CO1	REAL300030168583	1	51	0.0	-72.71	385.84	2.52	-70.19
CCOC(CC)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168584	1	58	0.0	-78.33	423.83	5.26	-73.07
O=C(CC(F)(F)F)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168585	1	48	0.0	-81.07	374.03	4.25	-76.82
COC(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168586	1	52	0.0	-78.65	384.66	3.66	-74.99
CC(C)OCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168587	1	55	0.0	-79.42	411.46	4.92	-74.50
CCCOCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168588	1	55	0.0	-79.41	412.68	4.99	-74.42
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CCOC3)CC2)CC1	REAL300030168589	1	53	0.0	-77.51	386.39	2.96	-74.55
CN1N=CC=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168590	1	52	0.0	-78.55	389.73	3.69	-74.86
CCC(OC)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168591	1	55	0.0	-78.42	401.97	4.30	-74.12
COCCCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168592	1	58	0.0	-76.44	433.28	4.46	-71.98
CCCC(C)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168593	1	60	0.0	-74.91	434.57	6.63	-68.28
COC(C)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168594	1	55	0.0	-76.98	409.42	4.42	-72.56
C=CCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168595	1	52	0.0	-74.57	391.24	5.32	-69.25
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=COCCC3)CC2)CC1	REAL300030168596	1	54	0.0	-75.45	397.72	4.21	-71.24
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CCCOC3)CC2)CC1	REAL300030168597	1	56	0.0	-74.28	405.39	3.73	-70.55
CCOCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168598	1	55	0.0	-75.30	412.14	3.88	-71.42
O=C(C1=CSC=N1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168599	1	48	0.0	-71.73	375.95	3.66	-68.07
COCC(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168600	1	55	0.0	-75.80	406.30	3.36	-72.44
C=CCOCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168601	1	53	0.0	-80.02	404.09	4.76	-75.26
O=C(C1=COC=N1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168602	1	48	0.0	-72.86	368.34	1.79	-71.07
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)CC1	REAL300030168603	1	53	0.0	-85.61	397.73	1.64	-83.97
CC1=NC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=CN1	REAL300030168604	1	52	0.0	-72.78	390.28	3.79	-68.99
CSCC(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168605	1	55	0.0	-75.17	416.06	5.39	-69.78
C[N@@H+]1CCCC1C(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168606	0	57	0.0	-70.63	411.11	3.23	-67.40
C[N@H+]1CCCC1C(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168606	1	57	0.0	-69.86	406.13	2.68	-67.18
CCC(=O)NCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168607	1	55	0.0	-76.78	415.53	2.29	-74.49
CC(C)(C)C=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168608	1	58	0.0	-75.20	427.40	6.34	-68.86
COCCOCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168609	1	56	0.0	-82.21	424.81	3.43	-78.78
CCCC(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168610	1	57	0.0	-74.60	413.54	5.65	-68.95
O=C(CCC1CC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168611	1	55	0.0	-75.77	409.67	6.17	-69.60
CCCCOCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168612	1	58	0.0	-79.40	434.18	5.77	-73.63
O=C(CC1=NOC=C1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168613	1	51	0.0	-82.15	390.81	4.19	-77.96
O=C(CC1CCOC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168614	1	56	0.0	-75.55	411.39	4.06	-71.49
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CC=CC3)CC2)CC1	REAL300030168615	1	53	0.0	-75.78	387.64	5.44	-70.34
O=C(CC1=NNC=C1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168616	1	52	0.0	-81.13	395.64	3.27	-77.86
CC1=CC=NC=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168617	1	54	0.0	-75.21	405.42	4.70	-70.51
CC1=CN=CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030168618	1	54	0.0	-75.77	407.30	4.65	-71.12
O=C(CC1CCC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168619	1	55	0.0	-75.80	404.39	5.92	-69.88
CC1=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)OC=N1	REAL300030168620	1	51	0.0	-77.36	386.35	1.52	-75.84
CC(C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030168621	1	55	0.0	-74.59	402.99	5.83	-68.76
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3C4CCCC43)CC2)CC1	REAL300030168622	1	56	0.0	-73.76	402.85	6.47	-67.29
N#CC1=CNC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030168623	1	51	0.0	-85.12	397.97	4.55	-80.57
O=C(CCC1CCC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168624	1	58	0.0	-75.78	426.35	6.67	-69.11
CC1=CC=CN=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168625	1	54	0.0	-74.94	410.74	4.64	-70.30
CC=C(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168626	1	52	0.0	-75.27	389.76	4.93	-70.34
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CC(F)(F)C3)CC2)CC1	REAL300030168627	1	52	0.0	-77.81	396.09	5.25	-72.56
CC1CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030168628	1	55	0.0	-75.90	403.36	5.71	-70.19
O=C(C=C1CCC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168629	1	53	0.0	-75.13	395.12	5.93	-69.20
CCC(=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)CC	REAL300030168630	1	58	0.0	-72.75	424.62	6.75	-66.00
CC(C)=C(F)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168631	1	52	0.0	-75.71	396.42	5.10	-70.61
O=C(C1=CCCC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168632	1	53	0.0	-74.70	387.98	5.41	-69.29
CN1C=CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030168633	1	53	0.0	-75.94	398.07	5.57	-70.37
CN1C=NC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030168634	1	52	0.0	-72.95	394.30	5.92	-67.03
O=C(CC1=CC=CN=C1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168635	1	54	0.0	-80.56	411.40	5.03	-75.53
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CCCCO3)CC2)CC1	REAL300030168636	1	56	0.0	-80.43	407.78	5.11	-75.32
CCC(SC)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168637	1	55	0.0	-76.62	413.29	5.38	-71.24
CC1(C)CC1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168638	1	55	0.0	-74.14	403.16	5.80	-68.34
CCC(C)OCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168639	1	58	0.0	-79.29	432.22	5.73	-73.56
CC1(C)C[C@@H]1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168640	1	55	0.0	-74.58	403.30	5.92	-68.66
CSC(C)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168641	1	55	0.0	-76.84	417.17	5.65	-71.19
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1	REAL300030168642	1	53	0.0	-80.15	389.32	4.34	-75.81
C#CCCCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168643	1	56	0.0	-76.54	426.89	6.69	-69.85
CCNC(=O)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168644	1	55	0.0	-87.74	414.13	3.70	-84.04
COC(C)CCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168645	1	58	0.0	-76.56	431.27	4.45	-72.11
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=CN=CN=C3)CC2)CC1	REAL300030168646	1	50	0.0	-78.29	379.30	3.73	-74.56
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=CCOCC3)CC2)CC1	REAL300030168647	1	54	0.0	-78.19	403.08	3.87	-74.32
O=C(CC1=COC=C1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168648	1	52	0.0	-78.88	397.31	4.77	-74.11
CC1=NC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=CO1	REAL300030168649	1	51	0.0	-72.87	389.70	2.40	-70.47
C[C@H](NC(N)=O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168650	1	54	0.0	-77.34	405.46	-0.73	-78.07
CC1=CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=CO1	REAL300030168651	1	52	0.0	-78.67	394.91	4.83	-73.84
CCC(C)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168652	1	57	0.0	-74.89	413.07	5.87	-69.02
C#CCCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168653	1	53	0.0	-79.11	405.39	5.90	-73.21
CC(C)(O)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168654	1	55	0.0	-78.45	403.60	2.92	-75.53
COC(C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030168655	1	56	0.0	-80.06	413.04	5.35	-74.71
CN1N=NC=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168656	1	51	0.0	-80.56	383.93	2.14	-78.42
CCCCC(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168657	1	60	0.0	-74.88	434.23	6.51	-68.37
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@H]3C[C@@H]3C(F)F)CC2)CC1	REAL300030168658	1	52	0.0	-77.50	395.67	5.21	-72.29
CC1(C)CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030168659	1	58	0.0	-75.93	423.10	6.17	-69.76
CC(C)[C@@H](O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168660	1	55	0.0	-76.22	397.31	3.03	-73.19
CN1C=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)N=N1	REAL300030168661	1	51	0.0	-73.32	389.80	2.71	-70.61
CN1C=NC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=N1	REAL300030168662	1	51	0.0	-78.53	389.66	5.16	-73.37
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CC3(F)F)CC2)CC1	REAL300030168663	1	49	0.0	-77.99	379.34	4.74	-73.25
CCC(C)=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168664	1	55	0.0	-73.30	407.31	6.03	-67.27
CC1=CN=CC=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168665	1	54	0.0	-76.54	405.20	4.66	-71.88
CC(C)C#CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168666	1	53	0.0	-74.67	406.63	5.88	-68.79
O=C(CC1(O)CCC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168667	1	56	0.0	-75.11	411.43	3.93	-71.18
CC1=CNN=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168668	1	52	0.0	-73.64	390.77	3.65	-69.99
CC(C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)=C1CCC1	REAL300030168669	1	56	0.0	-75.39	411.28	6.32	-69.07
O=C(C#CC1CC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168670	1	51	0.0	-75.73	396.30	6.06	-69.67
CC(C)(C)C#CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168671	1	56	0.0	-75.59	426.73	6.40	-69.19
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1	REAL300030168672	1	51	0.0	-81.74	395.87	5.06	-76.68
NC(=O)NCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168673	1	54	0.0	-87.94	410.34	-0.64	-88.58
CC1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030168674	1	58	0.0	-76.67	419.50	6.37	-70.30
C#CCOCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168675	1	54	0.0	-76.48	417.92	4.42	-72.06
C#CCOC(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168676	1	54	0.0	-81.56	412.30	5.15	-76.41
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3(C(F)F)CC3)CC2)CC1	REAL300030168677	1	52	0.0	-72.09	394.79	5.03	-67.06
C=CCC(C)(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168678	1	58	0.0	-76.53	415.85	5.70	-70.83
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CC34CCC4)CC2)CC1	REAL300030168679	1	56	0.0	-73.91	410.34	6.26	-67.65
CN(C)C(=O)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168680	1	55	0.0	-88.63	410.42	4.80	-83.83
CN1C=CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=N1	REAL300030168681	1	52	0.0	-74.44	395.01	4.31	-70.13
COCCC(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168682	1	58	0.0	-77.39	425.71	3.94	-73.45
O=C(CN1N=CN=N1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168683	1	50	0.0	-86.40	386.88	2.94	-83.46
CCCC[C@@H](C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168684	1	60	0.0	-76.25	437.96	6.58	-69.67
CCC(C)(C)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168685	1	60	0.0	-73.79	424.03	6.21	-67.58
CC(C)C(C)(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168686	1	60	0.0	-75.94	414.05	5.57	-70.37
C=CC(C)(C)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168687	1	58	0.0	-73.56	418.41	6.12	-67.44
O=C(CN1N=CC=N1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168688	1	51	0.0	-83.64	392.17	2.57	-81.07
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)CC2)CC1	REAL300030168689	1	56	0.0	-74.61	416.86	6.57	-68.04
CCC(C)(CC)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168690	1	60	0.0	-76.79	416.98	5.56	-71.23
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3C=CC=CC=C3)CC2)CC1	REAL300030168691	1	55	0.0	-74.45	404.03	6.28	-68.17
C=C(C)CCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168692	1	55	0.0	-75.02	412.27	5.82	-69.20
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=CC=NS3)CC2)CC1	REAL300030168693	1	48	0.0	-77.46	376.74	3.56	-73.90
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@]34C[C@H]3COC4)CC2)CC1	REAL300030168694	1	54	0.0	-79.09	398.87	3.66	-75.43
CC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030168695	1	52	0.0	-75.00	386.48	4.92	-70.08
CNC(=O)NCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168696	1	54	0.0	-77.99	410.09	0.12	-77.87
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@H]3CCCO3)CC2)CC1	REAL300030168697	1	53	0.0	-80.70	389.89	4.37	-76.33
CC(CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030168698	1	58	0.0	-75.14	424.64	6.68	-68.46
CC(C)(C(N)=O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168699	1	55	0.0	-89.15	398.38	2.22	-86.93
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3(C4CC4)CC3)CC2)CC1	REAL300030168700	1	56	0.0	-74.97	399.29	6.15	-68.82
COC1CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030168701	1	56	0.0	-77.02	415.88	4.04	-72.98
C=CCCOCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168702	1	56	0.0	-79.29	425.50	5.55	-73.74
C=CCOC(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168703	1	56	0.0	-78.90	419.42	5.18	-73.72
CC1=CN=CC=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168704	1	54	0.0	-76.54	405.20	4.66	-71.88
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CCC3(F)F)CC2)CC1	REAL300030168705	1	52	0.0	-76.52	393.93	5.16	-71.36
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=NSC=C3)CC2)CC1	REAL300030168706	1	48	0.0	-72.07	375.75	3.92	-68.15
CC(C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CCC1	REAL300030168707	1	58	0.0	-75.92	422.46	6.35	-69.57
CC1CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CO1	REAL300030168708	1	56	0.0	-75.45	407.81	3.77	-71.68
NC(=O)CCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168709	1	55	0.0	-87.54	415.79	1.45	-86.09
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3(F)CCCC3)CC2)CC1	REAL300030168710	1	55	0.0	-74.52	400.31	5.53	-68.99
CN1C=NC=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168711	1	52	0.0	-77.76	389.49	4.88	-72.88
CC(C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(C)(C)C	REAL300030168712	1	60	0.0	-72.92	419.09	5.83	-67.09
O=C(CC1=CC=CN=C1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168713	1	54	0.0	-80.56	411.40	5.03	-75.53
O=C(C1=NNN=C1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168714	1	48	0.0	-73.65	366.80	1.56	-72.09
CC1=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)NC=N1	REAL300030168715	1	52	0.0	-81.75	390.34	4.62	-77.13
COCC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030168716	1	56	0.0	-77.27	419.83	3.96	-73.31
COCC(C)(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168717	1	58	0.0	-76.83	418.35	3.86	-72.97
CN1N=CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=N1	REAL300030168718	1	51	0.0	-74.52	389.36	2.52	-72.00
O=C(CCC(F)F)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168719	1	51	0.0	-79.29	390.77	4.86	-74.43
CC1(CC(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030168720	1	55	0.0	-75.18	407.60	5.88	-69.30
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3(CCF)CC3)CC2)CC1	REAL300030168721	1	55	0.0	-74.57	413.04	5.74	-68.83
CCC(C(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030168722	0	59	0.0	-68.22	417.96	3.28	-64.94
O=C(C1=CSN=N1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168723	1	47	0.0	-71.98	370.72	2.76	-69.22
CC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCCC1	REAL300030168724	1	58	0.0	-75.82	410.31	5.90	-69.92
O=C(C1=CN=CO1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168725	1	48	0.0	-78.22	367.85	0.80	-77.42
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)CC1	REAL300030168726	1	53	0.0	-88.59	394.58	1.49	-87.10
CCC[N@H+](C)CC(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168727	0	59	0.0	-68.06	426.71	3.56	-64.50
CCC[N@@H+](C)CC(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168727	1	59	0.0	-68.24	426.69	3.56	-64.68
CC1=NNC=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168728	1	52	0.0	-80.03	391.96	2.94	-77.09
CC1=NNN=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168729	1	51	0.0	-73.24	385.34	2.14	-71.10
CCCC(OC)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168730	1	58	0.0	-78.49	423.47	5.07	-73.42
C=C(C)C(C)(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168731	1	58	0.0	-76.75	411.84	5.59	-71.16
CC(CC(N)=O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168732	1	55	0.0	-75.70	406.38	1.10	-74.60
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CCNC3=O)CC2)CC1	REAL300030168733	1	53	0.0	-72.35	395.71	1.43	-70.92
C=CC(C)(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168734	1	55	0.0	-77.49	395.85	5.03	-72.46
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168735	0	57	0.0	-72.85	408.30	2.99	-69.86
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168735	1	57	0.0	-64.93	408.99	2.93	-62.00
C[C@@H]1C[C@H]1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168736	1	52	0.0	-75.60	387.69	5.24	-70.36
CC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCC1	REAL300030168737	1	55	0.0	-74.66	396.78	5.25	-69.41
CC1COC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030168738	1	56	0.0	-79.46	409.96	4.87	-74.59
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@]34C[C@H]3CCC4)CC2)CC1	REAL300030168739	1	56	0.0	-76.85	411.32	6.31	-70.54
CC1=NC=CC=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168740	1	54	0.0	-76.65	405.31	4.75	-71.90
CC[NH+](CC)CC(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168741	0	59	0.0	-66.57	423.77	3.62	-62.95
CCC(F)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168742	1	51	0.0	-76.61	383.53	4.72	-71.89
O=C(CCCF)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168743	1	51	0.0	-79.25	384.70	4.73	-74.52
CC1=COC=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168744	1	52	0.0	-77.90	394.14	4.72	-73.18
C[C@H]1C[C@@H]1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168745	1	52	0.0	-74.29	388.23	5.37	-68.92
CC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C=CCC1	REAL300030168746	1	56	0.0	-75.37	403.11	5.67	-69.70
CN1N=NC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=N1	REAL300030168747	1	50	0.0	-76.64	384.75	2.17	-74.47
CC(C)C(F)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168748	1	54	0.0	-80.34	400.30	5.12	-75.22
C=CC(C)C(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168749	1	58	0.0	-74.43	421.90	6.10	-68.33
CCC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCC1	REAL300030168750	1	58	0.0	-74.56	414.56	5.82	-68.74
CC#CCCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168751	1	56	0.0	-79.67	427.21	6.86	-72.81
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)CC1	REAL300030168752	1	54	0.0	-75.62	402.55	4.09	-71.53
O=C(CCCC1CC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168753	1	58	0.0	-76.08	431.22	6.94	-69.14
CC1(C)CCC1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168754	1	58	0.0	-73.19	417.97	6.10	-67.09
CC1=COC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030168755	1	52	0.0	-75.48	391.67	4.51	-70.97
C=CC(CC)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168756	1	58	0.0	-75.24	428.15	6.43	-68.81
CC(C)(C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030168757	1	58	0.0	-74.91	406.59	5.45	-69.46
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)CC2)CC1	REAL300030168758	1	56	0.0	-76.62	410.08	6.52	-70.10
O=C(CC1=CON=C1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168759	1	51	0.0	-82.14	391.55	4.22	-77.92
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3(F)CCOC3)CC2)CC1	REAL300030168760	1	53	0.0	-75.52	392.56	3.01	-72.51
CC(C)(C)CCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168761	1	60	0.0	-75.98	433.29	6.31	-69.67
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=CC=NC=N3)CC2)CC1	REAL300030168762	1	50	0.0	-72.71	381.62	4.83	-67.88
CC1=CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=CC=N1	REAL300030168763	1	54	0.0	-78.57	406.52	4.71	-73.86
O=C(CC1=CC=CO1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168764	1	52	0.0	-80.12	397.32	4.96	-75.16
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=NC=CC=N3)CC2)CC1	REAL300030168765	1	50	0.0	-78.74	384.56	3.68	-75.06
CCC(C)CCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168766	1	60	0.0	-75.81	435.40	6.56	-69.25
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=CC=CN=N3)CC2)CC1	REAL300030168767	1	50	0.0	-73.41	381.92	3.48	-69.93
CC1OCCC1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168768	1	56	0.0	-78.26	407.58	3.75	-74.51
CC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCOC1	REAL300030168769	1	56	0.0	-76.23	401.60	3.35	-72.88
CCC(CC)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168770	1	60	0.0	-75.01	431.12	6.59	-68.42
CCC(C)C(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168771	1	60	0.0	-74.09	425.68	6.16	-67.93
CCCC(CC)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168772	1	60	0.0	-76.60	427.47	6.20	-70.40
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CCC(F)C3)CC2)CC1	REAL300030168773	1	55	0.0	-78.44	402.20	5.60	-72.84
CC1=NC=CC=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168774	1	54	0.0	-76.65	405.31	4.75	-71.90
C=CCCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168775	1	55	0.0	-76.26	412.42	5.95	-70.31
CCC(C)(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168776	1	57	0.0	-76.79	400.83	5.09	-71.70
CCCC(C)(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168777	1	60	0.0	-76.87	422.37	5.87	-71.00
NC(=O)C1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030168778	1	53	0.0	-73.11	402.75	0.95	-72.16
NC(=O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168779	1	46	0.0	-71.95	349.59	-0.87	-72.82
CC1=NOC=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168780	1	51	0.0	-80.62	389.23	4.09	-76.53
CCC1(C)CC1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168781	1	58	0.0	-74.13	420.01	6.39	-67.74
COCC(C)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168782	1	58	0.0	-77.96	427.78	4.32	-73.64
CC1(CCC(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030168783	1	58	0.0	-76.44	426.01	6.54	-69.90
CC1=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)ON=C1	REAL300030168784	1	51	0.0	-73.68	386.19	3.97	-69.71
CC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC=CC1	REAL300030168785	1	56	0.0	-76.32	401.87	5.63	-70.69
COC(C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(C)C	REAL300030168786	1	58	0.0	-79.16	423.51	5.04	-74.12
CC1CC1CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168787	1	55	0.0	-76.18	408.92	6.05	-70.13
C=CC(C)(CC)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168788	1	58	0.0	-74.47	404.46	5.88	-68.59
O=C(C[C@H]1CCOC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168789	1	56	0.0	-76.78	411.43	4.10	-72.68
CCC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030168790	1	55	0.0	-74.26	406.60	5.58	-68.68
CC(F)(F)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168791	1	51	0.0	-82.37	388.51	4.80	-77.57
CCCC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030168792	1	58	0.0	-74.55	427.94	6.36	-68.19
COCC(OC)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168793	1	56	0.0	-78.66	415.30	3.08	-75.58
CCC[C@@H]1C[C@H]1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168794	1	58	0.0	-73.94	430.86	6.81	-67.13
CC(C)C1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030168795	1	58	0.0	-74.56	418.63	5.87	-68.69
C=C1CC(C)(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030168796	1	56	0.0	-75.93	410.50	5.88	-70.05
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3(CF)CC3)CC2)CC1	REAL300030168797	1	52	0.0	-76.00	390.81	4.98	-71.02
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CC4(CC4)C3)CC2)CC1	REAL300030168798	1	56	0.0	-76.18	414.71	6.44	-69.74
CC(C)(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168799	1	54	0.0	-76.75	387.01	4.62	-72.13
CC1=CC=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C=C1	REAL300030168800	1	55	0.0	-75.58	413.46	6.59	-68.99
CCCCCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168801	1	60	0.0	-75.68	442.60	6.95	-68.73
CC[N@H+](C)CCC(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168802	0	59	0.0	-70.07	427.55	3.42	-66.65
CC[N@@H+](C)CCC(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168802	1	59	0.0	-69.79	427.55	3.41	-66.38
CC1=CON=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168803	1	51	0.0	-73.15	386.64	4.39	-68.76
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168804	1	53	0.0	-78.50	400.77	1.87	-76.63
CC[C@@H](C(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030168805	0	59	0.0	-66.31	413.10	3.09	-63.22
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3(CF)CCC3)CC2)CC1	REAL300030168806	1	55	0.0	-78.63	402.21	5.47	-73.16
O=C(CN1C=NC=N1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168807	1	51	0.0	-86.98	391.55	5.64	-81.34
O=C(CC1=NN=CN1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168808	1	51	0.0	-89.06	389.81	4.24	-84.82
CC(C)C(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168809	1	57	0.0	-75.34	411.81	5.62	-69.72
CC[C@@H]1C[C@H]1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168810	1	55	0.0	-75.62	409.12	6.02	-69.60
CC(C)CCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168811	1	60	0.0	-75.55	438.67	6.67	-68.88
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CC34CC4)CC2)CC1	REAL300030168812	1	53	0.0	-74.39	398.80	6.05	-68.34
O=C(CC1=CN=CN1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168813	1	52	0.0	-84.50	395.94	4.29	-80.21
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@@H]3CC(=O)N3)CC2)CC1	REAL300030168814	1	50	0.0	-87.64	381.27	0.57	-87.07
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=CCCCC3)CC2)CC1	REAL300030168815	1	56	0.0	-74.12	412.52	6.19	-67.93
CC(=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(C)C	REAL300030168816	1	58	0.0	-73.21	424.14	6.51	-66.70
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@H]3CC(=O)N3)CC2)CC1	REAL300030168817	1	50	0.0	-87.92	378.10	0.31	-87.61
O=C(CN1C=NC=N1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168818	1	51	0.0	-86.98	391.55	5.64	-81.34
COC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030168819	1	53	0.0	-72.61	398.88	3.55	-69.06
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CSC3)CC2)CC1	REAL300030168820	1	50	0.0	-77.94	382.16	4.70	-73.24
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3(O)CCCC3)CC2)CC1	REAL300030168821	1	56	0.0	-77.38	401.47	2.68	-74.70
C=CCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168822	1	49	0.0	-76.17	369.47	4.38	-71.79
C[NH+](C)CC(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168823	0	53	0.0	-68.62	387.49	2.15	-66.47
C=CC(O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168824	1	50	0.0	-76.90	375.00	2.00	-74.90
[N-]=[N+]=NCCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168825	1	53	0.0	-79.94	408.25	1.26	-78.68
CC1(C)COC1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168826	1	56	0.0	-79.21	408.48	4.32	-74.89
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@H]3CC3(F)F)CC2)CC1	REAL300030168828	1	49	0.0	-80.62	378.22	4.91	-75.71
O=C(CC1=CNN=C1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168829	1	52	0.0	-79.72	396.79	3.45	-76.27
CC(C)NC(=O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168830	1	55	0.0	-71.04	413.64	2.27	-68.77
C=C(Cl)CCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168831	1	52	0.0	-75.52	407.94	5.69	-69.83
CC1=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCO1	REAL300030168832	1	54	0.0	-76.31	395.61	4.24	-72.07
O=C(C=C1CCCC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168833	1	56	0.0	-74.52	410.38	6.54	-67.98
C[N@H+](CC(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030168834	0	57	0.0	-66.41	417.05	3.68	-62.73
C[N@@H+](CC(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030168834	1	57	0.0	-66.01	416.87	3.56	-62.45
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3(CO)COC3)CC2)CC1	REAL300030168835	1	54	0.0	-81.76	398.12	-0.81	-82.57
CC(C)=CCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168836	1	58	0.0	-75.06	430.27	6.61	-68.45
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3COC3)CC2)CC1	REAL300030168837	1	50	0.0	-77.87	373.51	2.29	-75.58
CC1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)O1	REAL300030168838	1	56	0.0	-79.83	410.11	5.03	-74.80
O=C(CC1(CO)CC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168839	1	56	0.0	-74.74	418.39	2.62	-72.12
C[NH+]1CC(CC(=O)N2CCC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030168840	0	57	0.0	-70.76	418.77	3.02	-67.74
CC1(O)CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030168841	1	56	0.0	-77.21	414.29	2.27	-74.94
CO[C@H](C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168842	1	52	0.0	-80.26	384.66	3.69	-76.57
CC1=NC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=NN1	REAL300030168843	1	51	0.0	-78.69	388.39	3.33	-75.36
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@@H]3C[C@@H]3C(F)F)CC2)CC1	REAL300030168844	1	52	0.0	-76.43	389.71	5.51	-70.92
O=C(C1=COC(=O)N1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168845	1	49	0.0	-81.57	382.49	1.06	-80.51
CC=CC(O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168846	1	53	0.0	-76.63	396.71	2.82	-73.81
CCCC[C@H](C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168847	1	60	0.0	-76.22	437.51	6.55	-69.67
C[C@@H](C(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030168848	0	56	0.0	-68.55	404.87	2.60	-65.95
CCC=C(F)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168849	1	52	0.0	-72.10	394.54	5.27	-66.83
CCC=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168850	1	52	0.0	-75.13	390.57	5.30	-69.83
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CCC(=O)N3)CC2)CC1	REAL300030168852	1	53	0.0	-86.62	397.07	1.61	-85.01
CC(C)(CO)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168853	1	55	0.0	-77.04	396.10	1.45	-75.59
CN1C=CN=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168854	1	52	0.0	-72.07	390.30	5.13	-66.94
O=C(CC(O)C1CC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168855	1	56	0.0	-78.98	415.95	3.95	-75.03
CC(C)CC(F)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168856	1	57	0.0	-76.66	420.48	5.95	-70.71
CC(=CC1CC1)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168857	1	56	0.0	-75.11	420.32	6.47	-68.64
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CCC=CO3)CC2)CC1	REAL300030168858	1	54	0.0	-78.67	397.84	5.26	-73.41
O=C(CC1CSC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168859	1	53	0.0	-81.04	404.25	5.52	-75.52
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3(F)CCC3)CC2)CC1	REAL300030168860	1	52	0.0	-72.23	386.74	5.06	-67.17
O=C(CO)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168861	1	46	0.0	-81.14	347.08	0.93	-80.21
NC(=O)C=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168862	1	50	0.0	-76.80	385.80	0.57	-76.23
C#CCSCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168863	1	51	0.0	-81.41	406.92	5.73	-75.68
CC(O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168864	1	49	0.0	-77.12	364.28	1.60	-75.52
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3(O)CCC3)CC2)CC1	REAL300030168865	1	53	0.0	-74.33	390.83	2.00	-72.33
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C(O)C3CC3)CC2)CC1	REAL300030168866	1	53	0.0	-77.67	390.26	3.15	-74.52
O=C(CN1C=NN=C1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168867	1	51	0.0	-91.33	392.11	6.55	-84.78
C=CCC(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168868	1	55	0.0	-75.55	404.82	5.44	-70.11
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CC3F)CC2)CC1	REAL300030168869	1	49	0.0	-75.51	373.10	4.66	-70.85
C[C@@H](C(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030168870	0	56	0.0	-68.55	404.87	2.60	-65.95
O=C(CCF)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168871	1	48	0.0	-74.76	363.52	4.13	-70.63
O=C(CN1C=CN=N1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168872	1	51	0.0	-89.75	390.64	2.92	-86.83
C=CC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCC1	REAL300030168873	1	56	0.0	-74.31	405.38	6.11	-68.20
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3(O)COC3)CC2)CC1	REAL300030168874	1	51	0.0	-75.51	381.71	-0.17	-75.68
CCC(C)C(O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168875	1	58	0.0	-76.75	417.63	3.60	-73.15
CC(C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)=C1CC1	REAL300030168876	1	53	0.0	-75.37	403.49	5.88	-69.49
CCC1CC1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168877	1	55	0.0	-74.11	403.84	6.00	-68.11
CC(O)CCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168878	1	58	0.0	-77.68	431.45	2.87	-74.81
O=C(CC1(O)CC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168879	1	53	0.0	-78.81	397.76	1.92	-76.89
O=C(C=CCF)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168880	1	49	0.0	-78.19	375.66	4.65	-73.54
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C(F)CC3CC3)CC2)CC1	REAL300030168881	1	55	0.0	-75.45	414.89	6.20	-69.25
CCC(CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)OC	REAL300030168882	1	58	0.0	-76.99	425.65	5.19	-71.80
O=C(C1=C(Cl)CC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168883	1	50	0.0	-78.87	390.37	5.60	-73.27
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@]34C[C@H]3[C@H](F)C4)CC2)CC1	REAL300030168884	1	53	0.0	-83.78	396.83	5.62	-78.16
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=CCCOC3)CC2)CC1	REAL300030168885	1	54	0.0	-74.40	403.59	3.81	-70.59
CC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1(F)F	REAL300030168886	1	52	0.0	-81.36	395.29	5.04	-76.32
CC(C)(C)C(O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168887	1	58	0.0	-75.86	411.68	3.66	-72.20
C#CCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168888	1	50	0.0	-75.51	383.83	5.12	-70.39
CC(C)C(O)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168890	1	58	0.0	-78.95	422.84	3.69	-75.26
CC1=CC=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)N=C1	REAL300030168891	1	54	0.0	-72.89	408.62	5.62	-67.27
CCCC(C)(O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168892	1	58	0.0	-73.26	420.22	2.84	-70.42
CCOC(C)(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168893	1	58	0.0	-81.40	414.56	4.84	-76.56
C#C[C@H]1C[C@H]1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168894	1	51	0.0	-76.90	389.44	5.74	-71.16
[N-]=[N+]=NC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030168895	1	51	0.0	-74.57	390.46	1.22	-73.35
O=C(C1=CNC(=O)O1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168896	1	49	0.0	-76.78	378.35	1.41	-75.37
CC(C)[C@@H]1C[C@H]1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168897	1	58	0.0	-74.04	428.41	6.57	-67.47
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3C4CCC43)CC2)CC1	REAL300030168898	1	53	0.0	-76.31	386.26	5.77	-70.54
C=C1CCC1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168899	1	53	0.0	-75.92	393.11	5.46	-70.46
C[C@H]1C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)[C@H]1C	REAL300030168900	1	55	0.0	-73.97	396.87	5.87	-68.10
C[C@H](C(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030168901	0	56	0.0	-65.65	404.19	2.59	-63.06
CC=CC=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168902	1	53	0.0	-75.18	404.63	5.96	-69.22
CN1N=CN=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168903	1	51	0.0	-73.01	385.35	5.23	-67.78
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@@H]3CC[C@@H](O)C3)CC2)CC1	REAL300030168904	1	56	0.0	-77.32	410.74	2.43	-74.89
CS(=O)C=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168905	1	51	0.0	-83.45	401.67	2.28	-81.17
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@@H]3CC=CCC3)CC2)CC1	REAL300030168906	1	56	0.0	-75.51	409.92	6.17	-69.34
COCC=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168907	1	53	0.0	-77.77	402.83	3.58	-74.19
CS(=O)CCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168908	1	53	0.0	-82.47	410.87	2.43	-80.04
CC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)COC1	REAL300030168910	1	53	0.0	-76.50	388.02	2.58	-73.92
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=CCCCO3)CC2)CC1	REAL300030168911	1	54	0.0	-72.32	398.46	4.62	-67.70
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=CCCS3)CC2)CC1	REAL300030168912	1	51	0.0	-72.65	389.60	5.04	-67.61
CC1=NOC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030168913	1	53	0.0	-85.33	398.64	4.34	-80.99
O=C(NC1CC1)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168914	1	53	0.0	-71.26	403.10	2.34	-68.92
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CCSC3)CC2)CC1	REAL300030168915	1	53	0.0	-77.68	396.03	5.22	-72.46
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CCO3)CC2)CC1	REAL300030168916	1	50	0.0	-81.06	372.48	3.36	-77.70
[N-]=[N+]=NCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168917	1	50	0.0	-75.59	386.70	0.45	-75.14
C#CCOCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168918	1	51	0.0	-82.78	396.97	4.72	-78.06
O=C(CC1=NN=CO1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168919	1	50	0.0	-87.18	386.71	-0.98	-88.16
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CCCS3)CC2)CC1	REAL300030168921	1	53	0.0	-73.02	400.35	5.56	-67.46
CC(C)(O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168922	1	52	0.0	-73.38	382.10	1.43	-71.95
O=C(CC1=CC=CC=N1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168923	1	54	0.0	-79.81	410.00	5.23	-74.58
CC1=CC1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168924	1	50	0.0	-75.68	381.17	5.27	-70.41
CN(C)C(=O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168925	1	52	0.0	-81.53	394.62	2.49	-79.04
CSC=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168926	1	50	0.0	-74.54	391.40	4.83	-69.71
CCC(C)(O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168927	1	55	0.0	-73.22	398.76	2.08	-71.14
CC[N@H+](C)CC(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168928	0	56	0.0	-67.72	405.19	2.82	-64.90
CC[N@@H+](C)CC(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168928	1	56	0.0	-67.85	405.19	2.82	-65.03
CC(C)(F)CCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168929	1	57	0.0	-75.11	422.12	5.93	-69.18
CCC=CC=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168930	1	56	0.0	-73.80	425.67	6.72	-67.08
CC1=CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=CN1	REAL300030168932	1	53	0.0	-78.39	398.42	4.34	-74.05
COCC(C)(O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168933	1	56	0.0	-73.61	414.53	0.93	-72.68
CC1=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCC1	REAL300030168934	1	56	0.0	-73.21	404.78	6.17	-67.04
C=C1CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030168935	1	53	0.0	-75.61	396.39	5.58	-70.03
CC(O)(C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030168936	1	56	0.0	-72.86	407.70	3.12	-69.74
CC1=NC=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)O1	REAL300030168937	1	51	0.0	-77.64	389.84	1.55	-76.09
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CCC3F)CC2)CC1	REAL300030168938	1	52	0.0	-76.67	388.05	5.10	-71.57
O=C(C1=CNC=N1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168939	1	49	0.0	-73.13	372.17	4.33	-68.80
CC1=NOC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=N1	REAL300030168940	1	50	0.0	-78.82	384.98	1.57	-77.25
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CC4CC4C3)CC2)CC1	REAL300030168941	1	56	0.0	-76.71	407.87	6.40	-70.31
O=C(C1=CCSC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168942	1	51	0.0	-78.25	392.28	5.26	-72.99
CCCC(O)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168943	1	58	0.0	-79.18	430.28	3.74	-75.44
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3(Cl)CC3)CC2)CC1	REAL300030168944	1	49	0.0	-72.49	379.81	4.87	-67.62
O=C(C1=CCCO1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168945	1	51	0.0	-71.92	381.40	3.76	-68.16
CC(=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(F)F	REAL300030168946	1	52	0.0	-78.74	398.45	5.52	-73.22
C[NH+](C)CC=CC(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168947	0	57	0.0	-74.76	423.61	3.41	-71.35
CCC[C@H](O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168948	1	55	0.0	-77.11	405.18	3.04	-74.07
CCC(C)(OC)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168949	1	58	0.0	-73.40	414.07	4.36	-69.04
CC(C)[C@H](O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168950	1	55	0.0	-76.82	399.21	2.96	-73.86
CC(C)C(CO)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168951	1	58	0.0	-80.00	419.96	2.30	-77.70
CCOC=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168952	1	53	0.0	-73.50	402.51	4.16	-69.34
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CCCC3O)CC2)CC1	REAL300030168954	1	56	0.0	-75.83	408.60	2.44	-73.39
C[C@@H](O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168955	1	49	0.0	-78.47	362.93	1.45	-77.02
NC(=O)C(O)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168956	1	53	0.0	-86.09	403.68	-0.73	-86.82
CCC(C)=C(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168957	1	58	0.0	-75.21	428.59	6.25	-68.96
COC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCC1	REAL300030168958	1	56	0.0	-74.49	409.04	4.25	-70.24
CC(C)(O)CCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168959	1	58	0.0	-75.54	426.48	2.61	-72.93
O=C(C1=CSN=C1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168960	1	48	0.0	-79.31	375.04	3.61	-75.70
CC1CC(C)(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030168961	1	58	0.0	-76.40	411.33	5.76	-70.64
CNC(=O)CCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168962	1	55	0.0	-76.04	416.22	2.15	-73.89
O=C(CCCCF)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168963	1	54	0.0	-76.52	406.20	5.51	-71.01
O=C(C=CCO)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168964	1	50	0.0	-79.08	380.58	1.18	-77.90
O=C(CC1=CN=CO1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168965	1	51	0.0	-83.23	391.99	1.67	-81.56
COC(C)(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168966	1	55	0.0	-81.55	392.71	3.90	-77.65
C[NH+](C)C(C)(C)C(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168967	0	59	0.0	-72.48	409.16	2.80	-69.68
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C(F)(F)CO)CC2)CC1	REAL300030168968	1	49	0.0	-74.27	375.68	1.94	-72.33
O=C(CCCCO)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168969	1	55	0.0	-76.90	411.03	2.04	-74.86
CC1=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C=NO1	REAL300030168970	1	51	0.0	-76.64	388.95	4.18	-72.46
CC1=CC=NC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030168971	1	54	0.0	-73.24	408.67	5.65	-67.59
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CNC(=O)C3)CC2)CC1	REAL300030168972	1	53	0.0	-86.67	393.60	1.22	-85.45
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)CC1	REAL300030168973	1	52	0.0	-90.83	391.89	-0.71	-91.54
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=CN=CS3)CC2)CC1	REAL300030168974	1	48	0.0	-78.65	376.42	3.02	-75.63
CC1=CC=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)N1	REAL300030168975	1	53	0.0	-78.72	397.48	4.73	-73.99
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3(CO)CC3)CC2)CC1	REAL300030168976	1	53	0.0	-78.44	397.58	1.55	-76.89
COC1(CC(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030168977	1	56	0.0	-77.83	418.05	4.25	-73.58
O=C(CC1CC1(F)F)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168978	1	52	0.0	-77.50	400.57	5.54	-71.96
CC[C@H](C)[C@H](O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168979	1	58	0.0	-76.56	413.44	3.58	-72.98
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@]34C[C@H]3[C@H](O)C4)CC2)CC1	REAL300030168980	1	54	0.0	-85.01	401.65	2.13	-82.88
O=C(CCCCCF)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168981	1	57	0.0	-78.42	427.70	6.29	-72.13
COC(F)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168982	1	49	0.0	-80.09	374.02	2.73	-77.36
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C34CC3CC4)CC2)CC1	REAL300030168983	1	53	0.0	-76.12	393.24	5.65	-70.47
CCCC(C)=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168984	1	58	0.0	-73.27	428.81	6.81	-66.46
C=C[C@H](C)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168985	1	55	0.0	-74.58	407.56	5.74	-68.84
O=C(C=CC1CC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168986	1	53	0.0	-75.23	401.42	6.11	-69.12
CC=C(CC)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168987	1	55	0.0	-74.99	393.84	5.18	-69.81
O=C(CC12CC(C1)C2)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168988	1	56	0.0	-74.39	410.40	6.55	-67.84
C#CCC(CC#C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168989	1	55	0.0	-77.80	427.65	6.73	-71.07
CCC(C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(C)O	REAL300030168990	1	58	0.0	-78.52	415.63	3.18	-75.34
C=CC(C)(O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168991	1	53	0.0	-73.43	391.86	2.20	-71.23
CCC(C)(CO)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168992	1	58	0.0	-81.00	411.08	1.84	-79.16
C[NH+](C)C1(C(=O)N2CCC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030168993	0	57	0.0	-73.14	407.71	2.69	-70.45
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C34CC(C3)CO4)CC2)CC1	REAL300030168994	1	54	0.0	-73.96	398.45	4.05	-69.91
C[C@@H](C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(C)(C)O	REAL300030168995	1	58	0.0	-76.60	411.18	2.45	-74.15
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C34CC(C3)OC4)CC2)CC1	REAL300030168996	1	54	0.0	-76.44	394.93	3.36	-73.08
CC(O)C1CC1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168997	1	56	0.0	-75.68	412.25	4.13	-71.55
C[C@@H]1C[C@@]2(C(=O)N3CCC([NH+]4CCN(C(=O)C5=CC(=O)[N-]O5)CC4)CC3)C[C@@H]12	REAL300030168998	1	56	0.0	-75.55	413.97	6.42	-69.13
O=C(CN1C=NC=N1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168999	1	51	0.0	-86.98	391.55	5.64	-81.34
CC1(C#CC(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030169000	1	54	0.0	-76.07	417.21	6.55	-69.52
O=C(C1=CCC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169001	1	50	0.0	-76.70	372.69	5.02	-71.68
O=C(C1=CC=C(F)O1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169002	1	49	0.0	-72.58	380.15	4.40	-68.18
CON=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169003	1	49	0.0	-80.31	378.36	2.47	-77.84
C#CCC(C)(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169004	1	56	0.0	-76.84	410.22	5.70	-71.14
CN(CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(N)=O	REAL300030169005	1	54	0.0	-84.41	406.62	1.29	-83.12
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3(F)CC3)CC2)CC1	REAL300030169007	1	49	0.0	-72.11	371.08	4.55	-67.56
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C(F)(F)C3CC3)CC2)CC1	REAL300030169008	1	52	0.0	-72.50	395.42	5.40	-67.10
O=C(COCCO)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169009	1	53	0.0	-82.82	402.56	1.04	-81.78
CC(C)(CF)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169010	1	54	0.0	-76.74	391.75	4.72	-72.02
CC(C)[C@@H](O)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169011	1	58	0.0	-79.35	425.43	3.49	-75.86
CSC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030169012	1	53	0.0	-71.97	409.63	5.51	-66.46
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=NOCC3)CC2)CC1	REAL300030169013	1	50	0.0	-73.14	378.12	3.06	-70.08
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3(CCO)CC3)CC2)CC1	REAL300030169014	1	56	0.0	-74.59	417.87	2.25	-72.34
CC(C)C(C)(O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169015	1	58	0.0	-72.21	410.57	2.45	-69.76
CC(C[NH+](C)C)C(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169016	0	59	0.0	-71.96	424.77	3.25	-68.71
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=NN=CS3)CC2)CC1	REAL300030169017	1	47	0.0	-73.40	372.63	2.58	-70.82
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C(F)C3CCC3)CC2)CC1	REAL300030169018	1	55	0.0	-76.75	407.67	5.97	-70.78
CC1(C)CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)O1	REAL300030169019	1	56	0.0	-81.86	415.02	4.66	-77.20
C#CC1=CC=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)O1	REAL300030169020	1	51	0.0	-74.19	401.49	5.61	-68.58
CC1CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=NO1	REAL300030169021	1	53	0.0	-72.68	398.69	3.69	-68.99
CC1(F)CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030169022	1	55	0.0	-74.84	410.29	5.75	-69.09
COCC(O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169023	1	53	0.0	-76.90	396.98	0.76	-76.14
C#CC(C)(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169024	1	53	0.0	-80.98	392.92	5.08	-75.90
COC(C)C(O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169025	1	56	0.0	-73.73	414.16	1.71	-72.02
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)CC1	REAL300030169026	1	52	0.0	-90.82	388.59	-0.97	-91.79
CCSC(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169027	1	55	0.0	-76.96	417.86	5.65	-71.31
O=C(COC1CC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169029	1	53	0.0	-80.71	401.53	4.99	-75.72
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=NC=CN3)CC2)CC1	REAL300030169030	1	49	0.0	-72.50	371.94	3.43	-69.07
O=C(C=CC1CCC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169031	1	56	0.0	-75.22	417.88	6.64	-68.58
CCCC=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169032	1	55	0.0	-75.04	412.06	6.08	-68.96
CC=C(F)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169033	1	49	0.0	-72.22	374.24	4.54	-67.68
CCC(C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(C)C	REAL300030169034	1	60	0.0	-74.33	422.84	5.97	-68.36
CSC(C)(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169035	1	55	0.0	-80.85	403.50	4.96	-75.89
O=C(C(F)=C1CCC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169036	1	53	0.0	-72.51	401.54	5.95	-66.56
CCC(CO)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169037	1	55	0.0	-77.55	405.32	1.69	-75.86
CC(C)(O)C(F)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169038	1	55	0.0	-81.72	404.34	2.19	-79.53
CC(CO)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169039	1	52	0.0	-75.32	383.60	1.01	-74.31
O=C(C1=CON=C1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169040	1	48	0.0	-79.87	367.33	3.52	-76.35
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@@H]3C[C@H]3CF)CC2)CC1	REAL300030169041	1	52	0.0	-79.01	394.54	5.41	-73.60
C#CC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030169042	1	51	0.0	-74.97	392.48	5.55	-69.42
O=C(C1=COCC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169043	1	51	0.0	-75.34	377.44	3.40	-71.94
C[C@H](O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169044	1	49	0.0	-80.37	360.13	1.21	-79.16
O=C(C1=CC(F)=NN1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169045	1	49	0.0	-78.55	378.68	2.57	-75.98
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3C=CCC3)CC2)CC1	REAL300030169046	1	53	0.0	-74.10	388.70	5.43	-68.67
CC(O)C(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169047	1	55	0.0	-75.67	400.71	2.59	-73.08
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3(O)CCOC3)CC2)CC1	REAL300030169048	1	54	0.0	-79.65	392.61	0.10	-79.55
C=C1CC1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169049	1	50	0.0	-75.96	380.14	5.13	-70.83
O=C(CC1CC=CC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169050	1	56	0.0	-75.95	412.33	6.38	-69.57
NC(=[NH2+])SCC(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169051	0	51	0.0	-70.49	395.38	-0.81	-71.30
O=C(CCC[N+](=O)[O-])N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169052	1	53	0.0	-84.55	407.21	5.00	-79.55
CC(CF)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169053	1	51	0.0	-75.07	378.68	4.44	-70.63
CC1(C)C=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030169054	1	56	0.0	-76.57	414.98	6.18	-70.39
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@@H]3CC3(F)F)CC2)CC1	REAL300030169055	1	49	0.0	-80.02	378.39	4.91	-75.11
CC(=O)NCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169056	1	55	0.0	-87.31	417.42	2.15	-85.16
O=C(C1=CNC(=O)N1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169057	1	50	0.0	-85.42	381.92	0.52	-84.90
CC1CCCC1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169058	1	58	0.0	-74.85	410.93	6.32	-68.53
C=C(C)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169059	1	52	0.0	-76.01	391.08	5.03	-70.98
CCSCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169060	1	52	0.0	-78.74	401.14	5.20	-73.54
CC(C)=C(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169061	1	55	0.0	-75.21	405.07	5.58	-69.63
CCCC(O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169062	1	55	0.0	-75.63	405.58	3.04	-72.59
CCCCC(O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169063	1	58	0.0	-77.14	426.68	3.82	-73.32
COC(C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(C)O	REAL300030169064	1	56	0.0	-78.98	410.73	1.42	-77.56
O=C(CSC1CC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169065	1	53	0.0	-78.41	411.70	6.05	-72.36
CCC(O)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169066	1	55	0.0	-79.23	408.78	2.97	-76.26
CC(Cl)=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169067	1	49	0.0	-76.72	381.47	5.04	-71.68
CC=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169068	1	49	0.0	-75.21	369.48	4.54	-70.67
CCC(F)(F)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169069	1	51	0.0	-71.83	386.03	4.65	-67.18
CC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1F	REAL300030169070	1	52	0.0	-75.12	390.52	4.92	-70.20
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@H]3C[C@@H](O)C3)CC2)CC1	REAL300030169071	1	53	0.0	-80.28	393.65	1.64	-78.64
CC1(C)CC1CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169072	1	58	0.0	-76.34	427.59	6.52	-69.82
CC(NC(N)=O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169073	1	54	0.0	-77.54	406.50	-0.58	-78.12
C=C(C)CCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169074	1	58	0.0	-76.56	434.06	6.62	-69.94
CC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC(F)C1	REAL300030169075	1	55	0.0	-76.28	402.73	5.34	-70.94
C[C@@H]1C[C@H]1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169076	1	52	0.0	-75.60	387.69	5.24	-70.36
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@@H]3CC[C@@H]4C[C@@H]43)CC2)CC1	REAL300030169077	1	56	0.0	-75.34	404.11	6.38	-68.96
O=C(COC1COC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169078	1	54	0.0	-81.78	408.61	2.81	-78.97
C[C@@H]1C[C@]2(C(=O)N3CCC([NH+]4CCN(C(=O)C5=CC(=O)[N-]O5)CC4)CC3)C[C@H]12	REAL300030169079	1	56	0.0	-76.80	412.82	6.39	-70.41
CNC(=O)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169080	1	52	0.0	-88.19	392.65	2.86	-85.33
C=CC=CCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169081	1	53	0.0	-76.74	404.72	5.80	-70.94
C#CC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCC1	REAL300030169082	1	54	0.0	-74.45	404.99	5.93	-68.52
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169083	0	57	0.0	-71.47	415.05	3.34	-68.13
C[N@H+]1CCC[C@H]1C(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169083	1	57	0.0	-70.22	408.29	3.03	-67.19
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CC=CCO3)CC2)CC1	REAL300030169084	1	54	0.0	-78.58	397.98	4.87	-73.71
O=C(CCOC1CC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169085	1	56	0.0	-74.31	422.50	4.65	-69.66
O=C(CCCCCO)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169086	1	58	0.0	-79.17	432.53	2.81	-76.36
O=C(C1=CSC=N1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169087	1	48	0.0	-71.73	375.95	3.66	-68.07
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3(CO)CCC3)CC2)CC1	REAL300030169088	1	56	0.0	-79.53	406.72	2.03	-77.50
NC(=O)CCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169089	1	52	0.0	-76.01	394.29	0.67	-75.34
C=CCC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030169090	1	56	0.0	-75.09	420.00	6.16	-68.93
O=C(COC(F)F)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169091	1	49	0.0	-78.42	380.94	3.57	-74.85
COC(C)(C)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169092	1	58	0.0	-75.67	419.03	5.04	-70.63
CC(O)CCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169093	1	55	0.0	-75.27	409.86	2.10	-73.17
CCS(O)=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169094	1	53	0.0	-78.02	406.94	1.41	-76.61
C#CCC(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169095	1	53	0.0	-74.94	398.62	5.52	-69.42
CC(CCO)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169096	1	55	0.0	-78.58	403.46	1.53	-77.05
O=C(C(F)=CC1CC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169097	1	53	0.0	-71.32	404.17	6.06	-65.26
O=C(CC1CC(F)C1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169098	1	55	0.0	-76.17	411.10	6.00	-70.17
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@H](O)CF)CC2)CC1	REAL300030169099	1	49	0.0	-77.67	370.74	1.73	-75.94
CN1C=NN=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169100	1	51	0.0	-74.19	385.22	5.46	-68.73
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3(O)CC3)CC2)CC1	REAL300030169101	1	50	0.0	-74.12	377.91	1.18	-72.94
O=C(CC1CC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169102	0	52	0.0	-79.27	387.49	5.33	-73.94
CC(C)(F)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169103	1	51	0.0	-74.49	377.48	4.34	-70.15
COCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169105	1	49	0.0	-81.52	369.66	3.33	-78.19
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=CC=CC=N3)CC2)CC1	REAL300030169106	1	51	0.0	-74.24	386.40	4.90	-69.34
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=CC=NC=C3)CC2)CC1	REAL300030169107	1	51	0.0	-80.89	385.13	3.98	-76.91
CCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169108	0	51	0.0	-77.56	378.43	4.71	-72.85
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=CC=CN=C3)CC2)CC1	REAL300030169109	1	51	0.0	-78.78	384.86	3.84	-74.94
O=C(C1=CC=CO1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169110	1	49	0.0	-76.81	373.02	4.03	-72.78
CC(=O)NCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169111	0	52	0.0	-80.39	395.61	1.57	-78.82
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=CC=CC=C3)CC2)CC1	REAL300030169112	1	52	0.0	-79.37	389.77	5.83	-73.54
CC(C)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169113	0	54	0.0	-77.03	395.16	5.31	-71.72
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CCCCC3)CC2)CC1	REAL300030169114	1	58	0.0	-79.71	415.93	6.23	-73.48
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=CN=CC=N3)CC2)CC1	REAL300030169115	1	50	0.0	-76.12	380.86	2.99	-73.13
CC1=CC=CC=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169116	1	55	0.0	-76.76	410.86	6.42	-70.34
O=C(CC1CCCC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169117	0	58	0.0	-78.78	420.36	6.59	-72.19
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=CC=CS3)CC2)CC1	REAL300030169118	1	49	0.0	-79.07	380.04	4.64	-74.43
CC1CC1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169119	1	52	0.0	-76.47	382.55	5.37	-71.10
CC1=CC=CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030169120	1	55	0.0	-77.86	410.83	6.36	-71.50
CCOCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169121	1	52	0.0	-81.46	391.51	4.29	-77.17
CC(C)=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169122	0	52	0.0	-75.52	384.98	5.08	-70.44
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=COCCO3)CC2)CC1	REAL300030169123	1	52	0.0	-82.13	387.75	3.13	-79.00
CC(=O)NC(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169124	1	55	0.0	-80.46	414.35	2.19	-78.27
CC1=CC=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)O1	REAL300030169125	1	52	0.0	-76.68	394.96	4.89	-71.79
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CCCO3)CC2)CC1	REAL300030169126	1	53	0.0	-83.51	389.51	4.19	-79.32
CSCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169127	1	49	0.0	-81.13	380.00	4.41	-76.72
CC1=CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=NO1	REAL300030169128	1	51	0.0	-74.06	389.39	4.43	-69.63
CSCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169129	0	52	0.0	-77.50	401.67	5.18	-72.32
CC(C)CCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169130	0	57	0.0	-77.82	417.50	6.01	-71.81
O=C(C1=CSC=C1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169131	1	49	0.0	-78.32	380.41	4.66	-73.66
CC1=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C=CO1	REAL300030169132	1	52	0.0	-77.33	390.82	4.60	-72.73
O=C(CC1C=CCC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169133	0	56	0.0	-78.96	412.37	6.32	-72.64
O=C(CN1C=NN=N1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169134	1	50	0.0	-98.06	385.72	3.41	-94.65
CN1C=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C=N1	REAL300030169135	1	52	0.0	-79.14	393.04	3.45	-75.69
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CC=CCC3)CC2)CC1	REAL300030169136	1	56	0.0	-79.14	408.79	6.19	-72.95
CC1=NOC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030169137	1	51	0.0	-77.29	389.41	3.89	-73.40
O=C(C1=CC=CN1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169138	1	50	0.0	-80.38	375.42	4.09	-76.29
CC(=O)CCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169139	1	56	0.0	-86.67	423.14	5.41	-81.26
O=C(C1=COC=C1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169140	1	49	0.0	-80.96	371.50	3.82	-77.14
O=C(CN1C=CC=N1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169141	1	52	0.0	-87.58	397.13	4.27	-83.31
CC1=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)OC=C1	REAL300030169142	1	52	0.0	-76.15	391.12	4.71	-71.44
CCCCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169143	0	57	0.0	-77.72	421.43	6.27	-71.45
CC(C)(C)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169144	0	57	0.0	-80.29	406.79	5.54	-74.75
CC1=CC=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C=N1	REAL300030169145	1	54	0.0	-78.64	406.61	4.46	-74.18
CN1C=CC=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169146	1	53	0.0	-77.32	393.83	5.20	-72.12
CCCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169147	0	54	0.0	-77.72	399.93	5.49	-72.23
CC1=CC=CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=N1	REAL300030169148	1	54	0.0	-76.27	404.42	5.19	-71.08
CC(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169149	1	51	0.0	-77.40	375.49	4.41	-72.99
CCC(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169150	1	54	0.0	-77.47	392.75	5.00	-72.47
CC(C)SCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169151	1	55	0.0	-80.71	419.74	5.93	-74.78
N#CCSCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169152	1	50	0.0	-90.66	400.81	5.04	-85.62
CC(=O)N(C)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169153	0	55	0.0	-81.69	414.52	3.95	-77.74
CCC(CC)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169154	1	57	0.0	-77.20	409.20	5.48	-71.72
CC(C)OCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169155	0	58	0.0	-77.64	432.73	4.73	-72.91
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3COCCO3)CC2)CC1	REAL300030169156	1	54	0.0	-83.26	396.86	2.93	-80.33
O=C(C1=NNC=C1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169157	1	49	0.0	-75.74	371.60	2.84	-72.90
O=C(C1=CC=NN1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169157	1	49	0.0	-81.87	367.59	2.35	-79.52
CSC(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169158	1	52	0.0	-80.77	396.92	4.89	-75.88
CCOC(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169159	1	55	0.0	-81.84	407.40	4.67	-77.17
CCOCCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169160	0	58	0.0	-80.74	433.96	4.75	-75.99
O=C(COCC1CC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169161	1	56	0.0	-81.81	423.19	5.87	-75.94
O=C(CC1CCCO1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169162	0	56	0.0	-81.12	412.66	4.80	-76.32
O=C(C1=CNN=C1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169163	1	49	0.0	-79.38	370.80	2.16	-77.22
COCCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169164	0	55	0.0	-80.82	412.11	3.78	-77.04
CCSCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169165	0	55	0.0	-77.46	423.14	6.07	-71.39
CCOC1CC1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169166	1	56	0.0	-78.85	420.01	5.91	-72.94
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=NSN=C3)CC2)CC1	REAL300030169167	1	47	0.0	-74.68	369.62	2.32	-72.36
COC(=O)NCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169169	0	53	0.0	-81.18	406.44	0.98	-80.20
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=NOC=C3)CC2)CC1	REAL300030169170	1	48	0.0	-74.96	367.51	3.61	-71.35
CCCSCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169171	1	55	0.0	-80.73	422.96	6.10	-74.63
CC(=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030169172	0	56	0.0	-76.59	413.42	6.64	-69.95
CC1=NNC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030169173	1	52	0.0	-80.51	392.11	3.22	-77.29
CC1=CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=NN1	REAL300030169173	1	52	0.0	-75.12	393.47	3.37	-71.75
CCC=C(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169175	0	55	0.0	-76.31	410.76	5.82	-70.49
CC1=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)N=CO1	REAL300030169176	1	51	0.0	-73.48	385.81	2.47	-71.01
CCOC(CC)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169177	1	58	0.0	-81.80	425.37	5.40	-76.40
O=C(CC(F)(F)F)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169178	0	48	0.0	-84.05	374.35	4.37	-79.68
COC(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169179	1	52	0.0	-82.08	384.99	3.78	-78.30
CC(C)OCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169180	1	55	0.0	-81.28	411.79	5.03	-76.25
CCCOCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169181	1	55	0.0	-81.36	413.01	5.09	-76.27
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CCOC3)CC2)CC1	REAL300030169182	1	53	0.0	-80.21	387.18	2.81	-77.40
CN1N=CC=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169183	1	52	0.0	-80.78	388.70	3.54	-77.24
CCC(OC)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169184	1	55	0.0	-81.97	403.50	4.48	-77.49
COCCCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169185	0	58	0.0	-78.78	433.61	4.56	-74.22
CCCC(C)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169186	0	60	0.0	-77.08	434.89	6.73	-70.35
COC(C)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169187	0	55	0.0	-77.89	409.75	4.53	-73.36
C=CCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169188	0	52	0.0	-77.89	391.25	5.27	-72.62
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=COCCC3)CC2)CC1	REAL300030169189	0	54	0.0	-81.01	399.70	3.96	-77.05
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CCCOC3)CC2)CC1	REAL300030169190	1	56	0.0	-80.86	408.34	3.85	-77.01
CCOCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169191	0	55	0.0	-77.81	412.46	3.98	-73.83
O=C(C1=CSC=N1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169192	1	48	0.0	-73.22	375.94	3.63	-69.59
COCC(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169193	1	55	0.0	-77.93	406.87	3.47	-74.46
C=CCOCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169194	1	53	0.0	-81.95	404.42	4.87	-77.08
O=C(C1=COC=N1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169195	1	48	0.0	-74.27	367.61	1.62	-72.65
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)CC1	REAL300030169196	1	53	0.0	-90.57	398.13	1.72	-88.85
CC1=NC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=CN1	REAL300030169197	1	52	0.0	-73.39	393.56	4.02	-69.37
CSCC(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169198	1	55	0.0	-77.39	416.98	5.51	-71.88
C[N@@H+]1CCCC1C(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169199	0	57	0.0	-68.40	411.95	3.21	-65.19
C[N@H+]1CCCC1C(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169199	1	57	0.0	-67.81	406.48	2.66	-65.15
CCC(=O)NCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169200	0	55	0.0	-80.23	415.90	2.39	-77.84
CC(C)(C)C=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169201	0	58	0.0	-78.35	427.34	6.32	-72.03
CC(C#N)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169202	1	49	0.0	-80.77	375.92	4.09	-76.68
COCCOCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169203	1	56	0.0	-83.42	425.14	3.54	-79.88
CCCC(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169204	1	57	0.0	-77.50	414.25	5.76	-71.74
CC(C)(C)C(=O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169205	1	56	0.0	-72.74	411.24	4.72	-68.02
O=C(CCC1CC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169206	0	55	0.0	-77.95	410.04	6.26	-71.69
CCCCOCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169207	1	58	0.0	-81.30	434.51	5.87	-75.43
O=C(CC1=NOC=C1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169208	1	51	0.0	-85.48	391.18	4.27	-81.21
O=C(CC1CCOC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169209	0	56	0.0	-79.20	411.39	3.99	-75.21
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CC=CC3)CC2)CC1	REAL300030169210	1	53	0.0	-79.99	388.62	5.40	-74.59
O=C(CC1=NNC=C1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169211	1	52	0.0	-84.12	396.00	3.35	-80.77
O=C(CC1=CC=NN1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169211	1	52	0.0	-85.75	396.84	3.25	-82.50
CC1=CC=NC=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169212	1	54	0.0	-77.90	406.02	4.59	-73.31
CC1=CN=CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030169213	1	54	0.0	-81.96	406.32	4.57	-77.39
O=C(CC1CCC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169214	0	55	0.0	-82.41	401.39	5.73	-76.68
CC1=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)OC=N1	REAL300030169215	1	51	0.0	-79.13	385.97	1.41	-77.72
CC(C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030169216	1	55	0.0	-78.57	403.41	5.69	-72.88
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3C4CCCC43)CC2)CC1	REAL300030169217	1	56	0.0	-77.09	404.92	6.55	-70.54
N#CC1=CNC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030169218	1	51	0.0	-89.53	397.31	4.54	-84.99
O=C(CCC1CCC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169219	0	58	0.0	-77.70	426.66	6.77	-70.93
CC1=CC=CN=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169220	1	54	0.0	-78.26	410.68	4.65	-73.61
CC1=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C=CN1	REAL300030169221	1	53	0.0	-76.73	394.33	4.24	-72.49
CC=C(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169222	0	52	0.0	-76.54	389.78	4.95	-71.59
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CC(F)(F)C3)CC2)CC1	REAL300030169223	1	52	0.0	-81.38	395.90	5.32	-76.06
CC1CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030169224	1	55	0.0	-77.75	402.30	5.73	-72.02
O=C(C=C1CCC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169225	0	53	0.0	-76.43	394.71	5.76	-70.67
CCC(=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)CC	REAL300030169226	0	58	0.0	-74.82	417.77	6.20	-68.62
CC(C)=C(F)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169227	1	52	0.0	-77.62	395.73	5.05	-72.57
O=C(C1=CCCC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169228	0	53	0.0	-78.75	387.71	5.38	-73.37
CN1C=CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030169229	1	53	0.0	-77.38	398.41	5.41	-71.97
CN1C=NC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030169230	1	52	0.0	-73.93	394.32	5.90	-68.03
O=C(CC1=CC=CN=C1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169231	0	54	0.0	-84.00	411.77	5.12	-78.88
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CCCCO3)CC2)CC1	REAL300030169232	1	56	0.0	-83.38	406.82	4.99	-78.39
CCC(SC)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169233	1	55	0.0	-80.15	416.35	5.56	-74.59
CC1(C)CC1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169234	1	55	0.0	-76.35	403.25	5.88	-70.47
N#CC1=CC=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)N1	REAL300030169235	1	51	0.0	-82.20	396.74	4.38	-77.82
CCC(C)OCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169236	1	58	0.0	-81.05	432.55	5.84	-75.21
CC1(C)C[C@@H]1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169237	1	55	0.0	-77.55	403.23	5.89	-71.66
CSC(C)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169238	0	55	0.0	-77.47	417.49	5.75	-71.72
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1	REAL300030169239	1	53	0.0	-84.63	388.88	4.15	-80.48
C#CCCCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169240	0	56	0.0	-78.87	427.21	6.79	-72.08
CC(C)(C)OCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169241	1	58	0.0	-81.27	425.81	5.42	-75.85
N#CC1=CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=CN1	REAL300030169242	1	51	0.0	-87.74	396.24	3.84	-83.90
CCNC(=O)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169243	0	55	0.0	-89.28	414.51	3.81	-85.47
COC(C)CCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169244	0	58	0.0	-77.49	431.65	4.56	-72.93
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=CN=CN=C3)CC2)CC1	REAL300030169245	1	50	0.0	-81.09	379.87	3.70	-77.39
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=CCOCC3)CC2)CC1	REAL300030169246	0	54	0.0	-80.90	404.54	3.85	-77.05
O=C(CC1=COC=C1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169247	1	52	0.0	-81.65	397.68	4.87	-76.78
CC1=NC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=CO1	REAL300030169248	1	51	0.0	-73.49	389.60	2.34	-71.15
C[C@H](NC(N)=O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169249	1	54	0.0	-81.75	406.26	-0.71	-82.46
CC1=CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=CO1	REAL300030169250	1	52	0.0	-80.73	393.47	4.69	-76.04
O=C(C=CC1=CC=CN1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169251	0	54	0.0	-81.18	410.85	5.32	-75.86
CCC(C)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169252	0	57	0.0	-77.11	413.39	5.97	-71.14
C#CCCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169253	0	53	0.0	-81.25	405.72	6.01	-75.24
C=CC(C)(O)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169254	0	56	0.0	-79.88	413.81	3.75	-76.13
CC(C)(O)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169255	0	55	0.0	-78.93	401.32	3.39	-75.54
COC(C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030169256	1	56	0.0	-82.26	410.81	5.17	-77.09
CC1=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)NC=C1	REAL300030169257	1	53	0.0	-80.28	394.92	4.72	-75.56
CN1N=NC=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169258	1	51	0.0	-85.28	380.37	1.94	-83.34
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3COC(=O)N3)CC2)CC1	REAL300030169259	1	51	0.0	-96.02	387.83	0.30	-95.72
CCCCC(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169260	1	60	0.0	-77.45	435.75	6.54	-70.91
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@H]3C[C@@H]3C(F)F)CC2)CC1	REAL300030169261	1	52	0.0	-81.57	400.74	5.47	-76.10
CC1(C)CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030169262	1	58	0.0	-77.84	422.91	6.24	-71.60
CC(C)[C@@H](O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169263	1	55	0.0	-79.49	397.11	3.01	-76.48
CN1C=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)N=N1	REAL300030169264	1	51	0.0	-77.17	386.78	2.43	-74.74
CN1C=NC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=N1	REAL300030169265	1	51	0.0	-80.48	389.22	5.05	-75.43
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CC3(F)F)CC2)CC1	REAL300030169266	1	49	0.0	-78.13	379.92	4.81	-73.32
CCC(C)=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169267	0	55	0.0	-75.19	407.05	5.98	-69.21
CC1=CN=CC=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169268	1	54	0.0	-79.41	406.06	4.67	-74.74
CC(C)C#CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169269	1	53	0.0	-77.50	406.97	5.96	-71.54
O=C(CC1(O)CCC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169270	0	56	0.0	-80.37	411.35	3.87	-76.50
CC1=CNN=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169271	1	52	0.0	-75.02	390.20	3.50	-71.52
CC(C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)=C1CCC1	REAL300030169272	0	56	0.0	-77.16	420.19	6.37	-70.79
O=C(C#CC1CC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169273	1	51	0.0	-77.60	396.64	6.13	-71.47
CC(C)(C)C#CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169274	1	56	0.0	-77.16	427.11	6.49	-70.67
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1	REAL300030169275	1	51	0.0	-87.61	392.25	4.77	-82.84
CCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169276	0	48	0.0	-77.67	356.94	3.95	-73.72
COCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169277	0	52	0.0	-77.98	390.61	3.02	-74.96
CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169278	0	45	0.0	-77.04	335.14	3.08	-73.96
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CC3)CC2)CC1	REAL300030169279	1	49	0.0	-78.16	366.55	4.52	-73.64
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CCC3)CC2)CC1	REAL300030169280	1	52	0.0	-78.88	382.26	5.00	-73.88
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CCCC3)CC2)CC1	REAL300030169281	1	55	0.0	-79.59	399.44	5.73	-73.86
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CCOCC3)CC2)CC1	REAL300030169282	1	56	0.0	-80.76	408.03	3.90	-76.86
CN1N=CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=N1	REAL300030169283	1	51	0.0	-77.37	389.37	2.51	-74.86
CCC(C(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030169284	0	59	0.0	-66.97	419.34	3.38	-63.59
CC1COC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030169285	1	56	0.0	-84.13	409.88	4.82	-79.31
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@]34C[C@H]3CCC4)CC2)CC1	REAL300030169286	1	56	0.0	-78.00	404.48	5.92	-72.08
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)CC1	REAL300030169287	1	53	0.0	-90.44	394.56	1.46	-88.98
CCC[N@H+](C)CC(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169288	0	59	0.0	-68.88	427.05	3.67	-65.21
CCC[N@@H+](C)CC(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169288	1	59	0.0	-68.96	427.01	3.66	-65.30
CC1=NC=CC=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169289	1	54	0.0	-79.95	405.92	4.62	-75.33
CC(C)(C)CCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169290	0	60	0.0	-78.08	433.67	6.41	-71.67
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=CC=NC=N3)CC2)CC1	REAL300030169291	1	50	0.0	-75.19	381.41	4.73	-70.46
CC1=CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=CC=N1	REAL300030169292	1	54	0.0	-80.76	406.05	4.54	-76.22
O=C(CC1=CC=CO1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169293	1	52	0.0	-83.09	397.69	5.04	-78.05
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=NC=CC=N3)CC2)CC1	REAL300030169294	1	50	0.0	-79.72	381.97	4.02	-75.70
CCC(C)CCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169295	0	60	0.0	-77.82	435.73	6.65	-71.17
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=CC=CN=N3)CC2)CC1	REAL300030169296	1	50	0.0	-74.25	381.05	3.40	-70.85
CC1OCCC1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169297	1	56	0.0	-82.69	402.85	3.89	-78.80
CC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCOC1	REAL300030169298	1	56	0.0	-80.20	400.73	3.18	-77.02
CCC(CC)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169299	0	60	0.0	-77.23	431.54	6.53	-70.70
CCC(C)C(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169300	1	60	0.0	-77.16	429.86	6.27	-70.89
CCCC(CC)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169301	1	60	0.0	-77.56	429.82	6.25	-71.31
CCC1(C)CC1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169302	1	58	0.0	-76.00	420.59	6.54	-69.46
COCC(C)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169303	0	58	0.0	-80.20	428.10	4.42	-75.78
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3(C(F)F)CC3)CC2)CC1	REAL300030169304	1	52	0.0	-75.34	395.10	5.05	-70.29
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CCC(F)C3)CC2)CC1	REAL300030169305	1	55	0.0	-79.13	402.89	5.59	-73.54
CC1(CCC(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030169306	0	58	0.0	-78.33	426.39	6.63	-71.70
CC1=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)ON=C1	REAL300030169307	1	51	0.0	-76.61	386.20	4.00	-72.61
CC[N@H+](C)CCC(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169308	1	59	0.0	-70.46	427.68	3.50	-66.96
CC[N@@H+](C)CCC(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169308	1	59	0.0	-70.56	427.88	3.51	-67.05
CC1=CON=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169309	1	51	0.0	-74.28	386.49	4.30	-69.98
O=C(CN1N=CN=N1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169310	1	50	0.0	-89.18	387.26	3.03	-86.15
CCCC[C@@H](C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169311	1	60	0.0	-77.73	434.51	6.39	-71.34
CCC(C)(C)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169312	0	60	0.0	-76.19	424.35	6.31	-69.88
CC(C)C(C)(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169313	1	60	0.0	-78.36	416.44	5.39	-72.97
C=CC(C)(C)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169314	0	58	0.0	-76.42	418.79	6.22	-70.20
O=C(CN1N=CC=N1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169315	1	51	0.0	-87.47	392.55	2.64	-84.83
CC1=NC=CC=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169316	1	54	0.0	-79.95	405.92	4.62	-75.33
C=CCCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169317	0	55	0.0	-78.42	412.74	6.06	-72.36
CCC(C)(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169318	1	57	0.0	-78.35	400.84	5.01	-73.34
CCCC(C)(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169319	1	60	0.0	-78.36	422.34	5.78	-72.58
NC(=O)C1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030169320	1	53	0.0	-75.04	402.90	1.03	-74.01
NC(=O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169321	1	46	0.0	-73.78	349.09	-1.03	-74.81
CC1=NOC=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169322	1	51	0.0	-83.61	387.25	3.94	-79.67
CC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC=CC1	REAL300030169323	1	56	0.0	-80.61	402.51	5.64	-74.97
COC(C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(C)C	REAL300030169324	1	58	0.0	-81.75	421.08	5.05	-76.70
CC1CC1CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169325	0	55	0.0	-78.18	409.25	6.16	-72.02
C=CC(C)(CC)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169326	1	58	0.0	-78.21	404.64	5.91	-72.30
O=C(C[C@H]1CCOC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169327	0	56	0.0	-80.35	408.14	3.81	-76.54
CCC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030169328	1	55	0.0	-78.51	406.25	5.53	-72.98
CC(C)(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169329	1	54	0.0	-79.36	386.18	4.55	-74.81
CC1=CC=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C=C1	REAL300030169330	1	55	0.0	-79.27	411.16	6.51	-72.76
O=C(CC1=NN=CN1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169331	1	51	0.0	-93.05	390.18	4.32	-88.73
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3C=CC=CC=C3)CC2)CC1	REAL300030169332	0	55	0.0	-77.59	404.32	6.36	-71.23
C=C(C)CCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169333	0	55	0.0	-77.44	412.89	5.94	-71.50
CC(F)(F)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169335	0	51	0.0	-84.30	388.84	4.91	-79.39
CCCC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030169336	1	58	0.0	-79.27	424.16	6.50	-72.77
COCC(OC)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169337	1	56	0.0	-82.35	415.60	3.19	-79.16
CCC[C@@H]1C[C@H]1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169338	1	58	0.0	-78.10	430.82	6.75	-71.35
CC(C)C1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030169339	1	58	0.0	-77.58	416.30	5.96	-71.62
C=C1CC(C)(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030169340	1	56	0.0	-79.59	409.94	5.72	-73.87
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3(CF)CC3)CC2)CC1	REAL300030169341	1	52	0.0	-79.68	390.98	5.09	-74.59
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CC4(CC4)C3)CC2)CC1	REAL300030169342	1	56	0.0	-79.35	414.62	6.39	-72.96
CCCCCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169343	0	60	0.0	-77.69	442.93	7.05	-70.64
CC(C)C(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169344	1	57	0.0	-77.17	411.68	5.62	-71.55
CC1CCC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030169345	1	58	0.0	-77.83	416.37	6.12	-71.71
C#CCOCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169346	0	54	0.0	-79.31	418.25	4.53	-74.78
C#CCOC(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169347	1	54	0.0	-87.02	413.29	5.30	-81.72
CC(C)(C(N)=O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169348	1	55	0.0	-74.68	398.71	0.64	-74.04
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3(C4CC4)CC3)CC2)CC1	REAL300030169349	1	56	0.0	-79.06	400.64	6.16	-72.90
COC1CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030169350	1	56	0.0	-80.55	416.11	4.11	-76.44
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169351	1	53	0.0	-84.27	400.45	2.64	-81.63
CC[C@@H](C(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030169352	0	59	0.0	-66.82	417.80	3.19	-63.63
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3(CF)CCC3)CC2)CC1	REAL300030169353	1	55	0.0	-83.01	402.82	5.33	-77.68
CC[C@@H]1C[C@H]1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169354	1	55	0.0	-76.86	409.46	6.00	-70.86
CC(C)CCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169355	0	60	0.0	-77.54	439.00	6.78	-70.76
O=C(CN1C=NC=N1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169356	1	51	0.0	-92.78	391.93	5.71	-87.07
NC(=O)NCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169357	0	54	0.0	-90.10	410.67	-0.53	-90.63
CC1=CN=CC=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169358	1	54	0.0	-79.41	406.06	4.67	-74.74
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CCC3(F)F)CC2)CC1	REAL300030169359	1	52	0.0	-75.71	393.04	5.12	-70.59
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=NSC=C3)CC2)CC1	REAL300030169360	1	48	0.0	-73.08	375.27	3.85	-69.23
CC(C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CCC1	REAL300030169361	1	58	0.0	-79.84	420.68	6.32	-73.52
CC1CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CO1	REAL300030169362	1	56	0.0	-80.30	408.08	3.85	-76.45
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CC34CC4)CC2)CC1	REAL300030169363	1	53	0.0	-79.05	399.08	6.12	-72.93
O=C(CC1=CN=CN1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169364	0	52	0.0	-86.18	396.32	4.40	-81.78
C=CCC(C)(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169365	1	58	0.0	-78.38	415.69	5.62	-72.76
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CC34CCC4)CC2)CC1	REAL300030169366	1	56	0.0	-77.91	413.56	6.46	-71.45
CC1=CNC=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169367	1	53	0.0	-81.36	395.42	4.27	-77.09
CN1C=CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=N1	REAL300030169368	1	52	0.0	-75.65	394.40	4.16	-71.49
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3(F)CCCC3)CC2)CC1	REAL300030169369	1	55	0.0	-78.49	400.56	5.62	-72.87
CN1C=NC=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169370	1	52	0.0	-79.57	388.92	4.84	-74.73
CN(C)C(=O)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169371	0	55	0.0	-90.36	410.42	4.90	-85.46
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)CC2)CC1	REAL300030169372	1	56	0.0	-77.64	417.29	6.68	-70.96
COCCC(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169373	1	58	0.0	-80.57	426.42	4.06	-76.51
CCC(C)(CC)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169374	1	60	0.0	-82.96	413.91	5.23	-77.73
COCC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030169375	1	56	0.0	-80.43	420.10	4.06	-76.37
COCC(C)(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169376	1	58	0.0	-79.19	418.16	3.72	-75.47
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1	REAL300030169377	1	53	0.0	-84.36	389.37	4.33	-80.03
O=C(CCC(F)F)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169378	0	51	0.0	-80.76	391.10	4.98	-75.78
O=C(C1=CC(F)=CN1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169379	1	50	0.0	-84.60	382.62	4.16	-80.44
CC1(CC(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030169380	0	55	0.0	-78.48	407.52	5.83	-72.65
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3(CCF)CC3)CC2)CC1	REAL300030169381	1	55	0.0	-78.44	412.96	5.88	-72.56
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@]34C[C@H]3COC4)CC2)CC1	REAL300030169382	1	54	0.0	-80.26	395.55	3.39	-76.87
CC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030169383	1	52	0.0	-77.54	386.37	4.99	-72.55
O=C(C1=CNC=C1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169384	1	50	0.0	-81.30	375.37	3.60	-77.70
CC(CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030169385	0	58	0.0	-77.17	424.99	6.76	-70.41
O=C(C1=CSN=N1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169386	1	47	0.0	-73.77	370.61	2.69	-71.08
CC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCCC1	REAL300030169387	1	58	0.0	-79.48	409.50	5.74	-73.74
O=C(C1=CN=CO1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169388	1	48	0.0	-79.60	367.75	0.76	-78.84
CNC(=O)NCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169389	0	54	0.0	-81.51	410.46	0.22	-81.29
C=CCCOCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169390	1	56	0.0	-81.47	425.82	5.66	-75.81
C=CCOC(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169391	1	56	0.0	-84.16	420.41	5.34	-78.82
NC(=O)CCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169392	0	55	0.0	-89.07	416.12	1.56	-87.51
CC1=NNC=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169393	1	52	0.0	-82.76	391.73	2.80	-79.96
CC1=NNN=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169394	1	51	0.0	-75.96	385.08	2.01	-73.95
CCCC(OC)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169395	1	58	0.0	-82.10	424.94	5.23	-76.87
C=C(C)C(C)(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169396	1	58	0.0	-76.09	414.30	5.46	-70.63
CC(CC(N)=O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169397	1	55	0.0	-78.66	407.83	1.12	-77.54
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CCNC3=O)CC2)CC1	REAL300030169398	1	53	0.0	-74.40	390.50	1.24	-73.16
C=CC(C)(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169399	1	55	0.0	-75.88	396.05	4.97	-70.91
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169400	0	57	0.0	-74.04	408.45	2.83	-71.21
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169400	1	57	0.0	-64.78	408.75	2.89	-61.89
C[C@@H]1C[C@H]1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169401	1	52	0.0	-78.36	388.27	5.35	-73.01
CC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCC1	REAL300030169402	1	55	0.0	-79.94	397.04	5.32	-74.62
CCC(F)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169403	1	51	0.0	-80.59	383.28	4.69	-75.90
O=C(CCCF)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169404	0	51	0.0	-81.51	385.03	4.85	-76.66
CC1=COC=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169405	1	52	0.0	-80.22	393.73	4.57	-75.65
C[C@H]1C[C@@H]1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169406	1	52	0.0	-77.49	384.68	5.07	-72.42
CC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C=CCC1	REAL300030169407	1	56	0.0	-78.33	402.96	5.69	-72.64
CN1N=NC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=N1	REAL300030169408	1	50	0.0	-78.49	384.20	2.02	-76.47
CC1=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)NC=N1	REAL300030169409	1	52	0.0	-81.42	396.01	3.92	-77.50
CC(C)C(F)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169410	1	54	0.0	-78.04	397.97	5.23	-72.81
C=CC(C)C(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169411	1	58	0.0	-77.22	425.15	6.17	-71.05
CCC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCC1	REAL300030169412	1	58	0.0	-79.22	414.56	5.79	-73.43
CC#CCCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169413	0	56	0.0	-81.89	427.54	6.97	-74.92
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)CC1	REAL300030169414	1	54	0.0	-81.62	402.64	4.02	-77.60
O=C(CCCC1CC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169415	0	58	0.0	-78.15	431.54	7.06	-71.09
CC1(C)CCC1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169416	1	58	0.0	-77.67	417.88	6.08	-71.59
CC1=COC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030169417	1	52	0.0	-76.65	394.84	4.71	-71.94
C=CC(CC)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169418	0	58	0.0	-77.44	428.48	6.53	-70.91
CC(C)(C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030169419	1	58	0.0	-79.01	410.40	5.71	-73.30
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)CC2)CC1	REAL300030169420	1	56	0.0	-79.97	407.46	6.37	-73.60
O=C(CC1=CON=C1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169421	1	51	0.0	-85.76	391.92	4.31	-81.45
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3(F)CCOC3)CC2)CC1	REAL300030169422	1	53	0.0	-79.82	391.23	2.91	-76.91
CC(C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(C)(C)C	REAL300030169423	1	60	0.0	-76.96	420.92	5.86	-71.10
O=C(CC1=CC=CN=C1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169424	0	54	0.0	-84.00	411.77	5.12	-78.88
O=C(C1=NNN=C1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169425	1	48	0.0	-76.47	366.39	1.42	-75.05
O=C(CO)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169426	1	46	0.0	-82.84	347.41	1.05	-81.79
NC(=O)C=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169427	0	50	0.0	-80.48	385.81	0.54	-79.94
NC1=NNC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=N1	REAL300030169428	1	50	0.0	-76.59	382.45	3.24	-73.35
COC(=O)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169429	0	51	0.0	-86.97	388.88	4.90	-82.07
C#CCSCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169430	1	51	0.0	-83.82	407.24	5.82	-78.00
CSC=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169431	0	50	0.0	-75.87	391.51	4.84	-71.03
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3(CO)CCC3)CC2)CC1	REAL300030169432	1	56	0.0	-83.62	407.69	2.01	-81.61
NC(=O)CCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169433	0	52	0.0	-78.92	394.62	0.78	-78.14
C=CCC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030169434	1	56	0.0	-78.49	420.84	6.29	-72.20
O=C(COC(F)F)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169435	1	49	0.0	-80.93	381.26	3.69	-77.24
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=CCCS3)CC2)CC1	REAL300030169436	1	51	0.0	-75.18	391.80	5.06	-70.12
CC1=NOC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030169437	1	53	0.0	-90.76	398.58	4.29	-86.47
O=C(NC1CC1)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169438	1	53	0.0	-73.43	402.92	2.25	-71.18
NC1=NNC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030169439	1	51	0.0	-80.99	386.29	1.36	-79.63
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CCSC3)CC2)CC1	REAL300030169440	1	53	0.0	-81.86	396.43	5.32	-76.54
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CCO3)CC2)CC1	REAL300030169441	1	50	0.0	-89.53	369.30	3.17	-86.36
CCCC(O)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169442	0	58	0.0	-81.03	430.60	3.85	-77.18
CC(C)(CC#N)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169443	1	55	0.0	-82.35	403.61	4.71	-77.64
O=C(C1=CCCO1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169445	1	51	0.0	-73.99	381.41	3.74	-70.25
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3(CO)COC3)CC2)CC1	REAL300030169446	1	54	0.0	-86.45	397.94	-0.87	-87.32
CC(C)=CCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169447	0	58	0.0	-77.31	430.70	6.72	-70.59
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3COC3)CC2)CC1	REAL300030169448	1	50	0.0	-80.43	373.57	2.39	-78.04
N#CC1=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCC1	REAL300030169449	0	54	0.0	-87.77	406.35	5.75	-82.02
CC1CCC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)O1	REAL300030169450	1	56	0.0	-83.16	410.38	5.12	-78.04
NC1=CNN=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169451	1	51	0.0	-77.44	380.69	0.59	-76.85
O=C(C=CCO)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169452	0	50	0.0	-82.24	380.52	1.15	-81.09
CC1=NC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=NN1	REAL300030169453	1	51	0.0	-81.18	388.46	3.34	-77.84
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@@H]3C[C@@H]3C(F)F)CC2)CC1	REAL300030169454	1	52	0.0	-84.81	390.28	5.40	-79.41
O=C(C1=COC(=O)N1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169455	1	49	0.0	-89.88	377.06	0.94	-88.94
CC=CC(O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169456	1	53	0.0	-78.21	396.95	2.92	-75.29
CCCC[C@H](C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169457	1	60	0.0	-78.65	434.50	6.38	-72.27
C[C@@H](C(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030169458	0	56	0.0	-66.60	401.65	2.45	-64.15
CCC=C(F)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169459	1	52	0.0	-73.15	393.16	5.30	-67.85
CCC=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169460	0	52	0.0	-78.31	390.51	5.27	-73.04
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CNC(=O)C3)CC2)CC1	REAL300030169461	1	53	0.0	-90.00	393.89	1.31	-88.69
NC1=NON=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169462	1	49	0.0	-75.32	375.90	2.08	-73.24
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)CC1	REAL300030169463	1	52	0.0	-94.52	388.84	-1.00	-95.52
[N-]=[N+]=NCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169465	0	50	0.0	-79.16	387.07	0.56	-78.60
C#CCOCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169466	1	51	0.0	-84.74	397.30	4.83	-79.91
O=C(CC1=NN=CO1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169467	1	50	0.0	-90.37	387.04	-0.91	-91.28
CN(CCO)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169468	0	57	0.0	-79.79	419.57	-0.29	-80.08
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CCCS3)CC2)CC1	REAL300030169469	1	53	0.0	-77.29	400.25	5.56	-71.73
COC(C)(C)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169470	0	58	0.0	-78.77	419.57	5.23	-73.54
CC(O)CCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169471	0	55	0.0	-77.34	410.24	2.21	-75.13
CCS(O)=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169472	1	53	0.0	-76.51	406.96	1.40	-75.11
O=C(CN1C=CC=C1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169473	1	53	0.0	-85.01	403.11	6.22	-78.79
C#CCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169474	0	50	0.0	-78.05	384.22	5.23	-72.82
CC(=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(C)C	REAL300030169475	0	58	0.0	-75.10	423.88	6.46	-68.64
COC1(CC(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030169476	0	56	0.0	-82.67	416.08	4.06	-78.61
O=C(CC1CC1(F)F)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169477	0	52	0.0	-79.66	400.89	5.66	-74.00
CC[C@H](C)[C@H](O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169478	1	58	0.0	-80.04	413.60	3.29	-76.75
CC=CC=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169479	0	53	0.0	-76.85	400.98	5.56	-71.29
CN1N=CN=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169480	1	51	0.0	-75.31	385.01	5.09	-70.22
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@@H]3CC[C@@H](O)C3)CC2)CC1	REAL300030169481	1	56	0.0	-81.82	409.87	2.27	-79.55
CS(=O)C=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169482	1	51	0.0	-85.83	401.61	2.25	-83.58
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@@H]3CC=CCC3)CC2)CC1	REAL300030169483	1	56	0.0	-78.62	409.71	6.12	-72.50
COCC=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169484	0	53	0.0	-81.03	402.77	3.55	-77.48
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CC4CC4C3)CC2)CC1	REAL300030169485	1	56	0.0	-78.42	405.79	6.16	-72.26
CS(=O)CCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169486	1	53	0.0	-87.85	411.19	2.54	-85.31
CCC(C)(O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169488	1	55	0.0	-76.42	398.56	2.07	-74.35
C#CCC(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169489	1	53	0.0	-77.93	399.94	5.54	-72.39
C=CC(O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169490	1	50	0.0	-79.62	375.25	2.13	-77.49
[N-]=[N+]=NCCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169491	0	53	0.0	-82.05	408.57	1.37	-80.68
CC1(C)COC1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169492	1	56	0.0	-84.15	408.18	4.29	-79.86
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C34CC3CC4)CC2)CC1	REAL300030169493	1	53	0.0	-79.36	390.91	5.50	-73.86
CCCC(C)=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169494	0	58	0.0	-75.11	428.55	6.76	-68.35
C=C[C@H](C)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169495	0	55	0.0	-78.49	407.95	5.82	-72.67
O=C(C=CC1CC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169496	0	53	0.0	-76.49	401.07	5.96	-70.53
CC1=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C=NO1	REAL300030169497	1	51	0.0	-79.23	386.02	4.02	-75.21
CC(C)CC(=O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169498	1	56	0.0	-73.27	415.14	4.97	-68.30
CC1CC1(C#N)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169499	1	53	0.0	-78.30	400.89	4.76	-73.54
CCC(C#N)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169500	1	52	0.0	-76.34	393.83	4.54	-71.80
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@@H]3CNC(=O)O3)CC2)CC1	REAL300030169501	1	51	0.0	-100.05	386.06	0.64	-99.41
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3C4CCC43)CC2)CC1	REAL300030169502	1	53	0.0	-76.89	389.63	5.98	-70.91
C=C1CCC1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169503	1	53	0.0	-78.78	389.96	5.42	-73.36
C[C@H]1C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)[C@H]1C	REAL300030169504	1	55	0.0	-77.41	404.36	5.89	-71.52
CC[N@H+](C)CC(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169505	0	56	0.0	-68.61	405.57	2.93	-65.68
CC[N@@H+](C)CC(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169505	1	56	0.0	-68.55	405.51	2.92	-65.63
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CC4(C3)N=N4)CC2)CC1	REAL300030169506	1	52	0.0	-81.60	395.54	0.13	-81.47
CC(O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169507	1	49	0.0	-79.58	363.28	1.56	-78.02
CC(=O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169508	1	47	0.0	-73.53	356.25	2.79	-70.74
NC1=NNC=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169509	1	51	0.0	-83.87	384.00	1.18	-82.69
CC(NC(N)=O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169510	1	54	0.0	-80.54	407.42	-0.54	-81.08
CCOC(=O)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169511	0	54	0.0	-86.67	410.74	5.82	-80.85
CC1=CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=CN1	REAL300030169513	1	53	0.0	-81.06	397.27	4.17	-76.89
COCC(C)(O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169514	1	56	0.0	-77.47	414.05	0.77	-76.70
CC1=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCC1	REAL300030169515	0	56	0.0	-77.14	404.48	6.02	-71.12
N#CCCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169516	0	52	0.0	-88.62	399.29	5.23	-83.39
N#CC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030169517	1	50	0.0	-78.11	384.19	4.41	-73.70
C=C1CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030169518	1	53	0.0	-78.32	396.12	5.67	-72.65
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@]34C[C@H]3[C@H](O)C4)CC2)CC1	REAL300030169519	1	54	0.0	-82.34	401.79	2.11	-80.23
O=C(CCCCCF)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169520	0	57	0.0	-80.42	428.02	6.41	-74.01
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C34CC(C3)CO4)CC2)CC1	REAL300030169521	1	54	0.0	-76.16	398.42	3.98	-72.18
CC(C)(F)CCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169522	0	57	0.0	-77.27	422.47	6.04	-71.23
CCC=CC=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169523	0	56	0.0	-76.78	422.07	6.32	-70.46
CN(CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(N)=O	REAL300030169524	0	54	0.0	-82.75	406.99	1.39	-81.36
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3(F)CC3)CC2)CC1	REAL300030169526	1	49	0.0	-77.62	372.97	4.55	-73.07
CC(O)(C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030169527	1	56	0.0	-75.85	406.74	2.58	-73.27
CC1=NC=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)O1	REAL300030169528	1	51	0.0	-78.71	389.72	1.51	-77.20
COC(C)(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169529	1	55	0.0	-75.28	397.38	3.51	-71.77
CC(CC#N)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169530	1	52	0.0	-81.90	393.49	4.72	-77.18
CCC1CC1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169531	1	55	0.0	-76.01	404.24	6.11	-69.90
C[C@@H](C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(C)(C)O	REAL300030169532	1	58	0.0	-80.29	412.31	2.81	-77.48
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3COC(=O)O3)CC2)CC1	REAL300030169533	1	50	0.0	-98.52	382.60	4.25	-94.27
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C34CC(C3)OC4)CC2)CC1	REAL300030169534	1	54	0.0	-80.46	394.44	3.30	-77.16
CC(O)C1CC1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169535	1	56	0.0	-77.36	417.13	3.03	-74.33
C[C@@H]1C[C@@]2(C(=O)N3CC[NH+](C4CCN(C(=O)C5=CC(=O)[N-]O5)CC4)CC3)C[C@@H]12	REAL300030169536	1	56	0.0	-79.10	414.68	6.40	-72.70
O=C(CN1C=NC=N1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169537	1	51	0.0	-92.78	391.93	5.71	-87.07
CC(C[NH+](C)C)C(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169538	0	59	0.0	-70.48	425.74	3.38	-67.10
C=CC(C)(O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169539	1	53	0.0	-76.15	392.29	2.17	-73.98
CCC(C)(CO)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169540	1	58	0.0	-79.24	411.87	1.81	-77.43
C[NH+](C)C1(C(=O)N2CCN(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030169541	0	57	0.0	-77.48	408.41	2.89	-74.59
CCCC=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169542	0	55	0.0	-78.28	412.01	6.05	-72.23
CC=C(F)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169543	1	49	0.0	-73.19	372.85	4.57	-68.62
CCC(C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(C)C	REAL300030169544	1	60	0.0	-77.42	421.24	6.18	-71.24
N#CC1=CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=CO1	REAL300030169545	1	50	0.0	-86.59	392.34	4.35	-82.24
C[C@H](C(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030169546	0	56	0.0	-67.06	403.34	2.42	-64.64
CC(C)C(CO)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169547	1	58	0.0	-81.06	419.32	2.30	-78.76
CCOC=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169548	0	53	0.0	-76.07	402.46	4.15	-71.92
NC(=O)C(O)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169550	0	53	0.0	-87.04	404.01	-0.62	-87.66
CCC(C)=C(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169551	0	58	0.0	-76.37	428.58	6.54	-69.83
COC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCC1	REAL300030169552	1	56	0.0	-75.51	410.34	4.12	-71.39
C=CCCC(=O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169553	1	54	0.0	-73.78	411.22	4.93	-68.85
CC(O)CCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169554	0	58	0.0	-80.75	431.74	2.98	-77.77
CC(=O)OCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169555	1	51	0.0	-81.50	393.01	4.92	-76.58
CC(=O)NCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169556	0	55	0.0	-89.32	417.44	2.27	-87.05
O=C(C1=CNC(=O)N1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169557	1	50	0.0	-91.21	380.94	0.38	-90.83
C[NH+](C)C(C)(C)C(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169558	0	59	0.0	-67.65	408.43	2.61	-65.04
CC1(C#CC(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030169560	1	54	0.0	-77.18	417.59	6.63	-70.55
CC(=O)C=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169561	1	51	0.0	-78.26	392.74	4.39	-73.87
O=C(COC1CC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169562	1	53	0.0	-82.62	401.88	5.06	-77.56
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=NC=CN3)CC2)CC1	REAL300030169563	1	49	0.0	-73.71	371.84	3.36	-70.35
O=C(C=CC1CCC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169564	0	56	0.0	-81.22	414.20	6.23	-74.99
CSC(C)(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169565	1	55	0.0	-75.60	405.63	4.93	-70.67
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CC(=O)CO3)CC2)CC1	REAL300030169567	1	52	0.0	-86.82	392.05	3.27	-83.55
CC(C)NC(=O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169568	1	55	0.0	-72.82	413.14	2.12	-70.70
C=C(Cl)CCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169569	0	52	0.0	-77.29	408.27	5.80	-71.49
CC1=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCO1	REAL300030169570	0	54	0.0	-76.65	392.14	3.91	-72.74
CN1C=CN=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169571	1	52	0.0	-73.29	390.24	5.09	-68.20
CC(CO)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169572	1	52	0.0	-78.19	384.62	1.07	-77.12
O=C(C1=CON=C1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169573	1	48	0.0	-84.08	365.97	3.34	-80.74
O=C(CCCCO)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169574	0	55	0.0	-79.23	411.35	2.15	-77.08
O=C(C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030169575	1	51	0.0	-73.48	387.46	4.45	-69.03
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)CC1	REAL300030169576	1	51	0.0	-94.40	387.64	0.33	-94.07
O=C(CC1(O)CC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169577	0	53	0.0	-83.93	398.33	1.82	-82.11
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CCC3F)CC2)CC1	REAL300030169578	1	52	0.0	-81.24	387.92	5.05	-76.19
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C(F)C3CCC3)CC2)CC1	REAL300030169579	1	55	0.0	-78.21	406.08	5.88	-72.33
CC1(C)CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)O1	REAL300030169580	1	56	0.0	-84.99	415.08	4.62	-80.37
C#CC1=CC=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)O1	REAL300030169581	1	51	0.0	-77.64	397.83	5.23	-72.41
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@@H]3C[C@H]3CF)CC2)CC1	REAL300030169582	1	52	0.0	-83.25	391.31	5.22	-78.03
O=C(C(F)=C1CCC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169583	1	53	0.0	-72.45	398.42	5.76	-66.69
CCC(CO)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169584	1	55	0.0	-77.48	404.56	1.73	-75.75
CC(C)(O)C(F)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169585	1	55	0.0	-81.33	410.18	3.13	-78.20
O=C(CC(O)C1CC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169586	0	56	0.0	-81.01	416.32	4.04	-76.97
CC(C)CC(F)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169587	1	57	0.0	-80.86	420.23	5.94	-74.92
CC(=CC1CC1)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169588	0	56	0.0	-76.97	412.48	6.36	-70.61
N#C[C@H]1C[C@H]1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169589	1	50	0.0	-88.56	383.69	4.87	-83.69
O=C(CC1=CN=CO1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169590	1	51	0.0	-87.61	392.37	1.75	-85.86
O=C(C1=COCC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169591	0	51	0.0	-80.09	377.51	3.39	-76.70
CC(C)(O)CCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169592	0	58	0.0	-77.79	426.81	2.72	-75.07
CC1=CC=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)N1	REAL300030169593	1	53	0.0	-80.36	398.13	4.63	-75.73
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3(O)CC3)CC2)CC1	REAL300030169594	1	50	0.0	-76.21	377.52	1.28	-74.93
O=C(C1=CCC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169595	0	50	0.0	-77.77	372.71	4.99	-72.78
CC1CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=NO1	REAL300030169596	1	53	0.0	-75.33	398.72	3.68	-71.65
CC(CF)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169597	1	51	0.0	-78.41	379.59	4.45	-73.96
CC(Cl)=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169598	0	49	0.0	-80.13	381.80	5.02	-75.11
CC=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169599	0	49	0.0	-78.26	369.42	4.51	-73.75
CC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1F	REAL300030169601	1	52	0.0	-81.60	391.87	5.08	-76.52
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@@H]3CCC(=O)O3)CC2)CC1	REAL300030169602	1	52	0.0	-96.50	391.89	5.10	-91.40
O=C(C=CCF)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169603	0	49	0.0	-81.65	375.60	4.63	-77.02
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C(F)CC3CC3)CC2)CC1	REAL300030169604	1	55	0.0	-79.08	414.84	6.23	-72.85
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@H]3COC(=O)N3)CC2)CC1	REAL300030169605	1	51	0.0	-95.90	384.53	0.16	-95.74
N#CCCCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169606	0	55	0.0	-83.28	420.79	6.01	-77.27
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3(CO)CC3)CC2)CC1	REAL300030169607	1	53	0.0	-81.76	397.97	1.60	-80.16
O=C(C1=CC=NO1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169608	1	48	0.0	-77.25	367.61	3.34	-73.91
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CCC(=O)N3)CC2)CC1	REAL300030169610	1	53	0.0	-92.02	397.73	1.57	-90.45
C[C@H](O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169611	1	49	0.0	-79.24	363.33	1.44	-77.80
O=C(C1=CC=C(F)O1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169612	1	49	0.0	-75.06	379.47	4.17	-70.89
CON=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169613	1	49	0.0	-83.01	378.38	2.46	-80.55
C#CCC(C)(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169614	1	56	0.0	-79.05	410.03	5.59	-73.46
CC1(F)CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030169615	1	55	0.0	-78.62	409.99	5.82	-72.80
CCC(C)(OC)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169616	1	58	0.0	-76.36	414.53	4.10	-72.26
CC(C)[C@H](O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169617	1	55	0.0	-78.77	399.61	2.94	-75.83
C#CC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030169618	1	51	0.0	-77.16	391.73	5.36	-71.80
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@H]3CCC(=O)O3)CC2)CC1	REAL300030169619	1	52	0.0	-95.64	391.75	4.97	-90.67
C=CC=CCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169620	0	53	0.0	-79.15	405.10	5.91	-73.24
C#CC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCC1	REAL300030169621	1	54	0.0	-77.12	404.64	5.77	-71.35
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169622	0	57	0.0	-66.24	412.36	3.01	-63.23
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169622	1	57	0.0	-72.10	408.29	2.99	-69.11
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CC=CCO3)CC2)CC1	REAL300030169623	1	54	0.0	-87.52	395.03	4.69	-82.83
CC1(C)C=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030169624	0	56	0.0	-77.58	414.50	6.13	-71.45
C#C[C@H]1C[C@H]1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169625	1	51	0.0	-81.59	386.26	5.46	-76.13
[N-]=[N+]=NC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030169626	1	51	0.0	-75.83	388.43	1.30	-74.53
CCC(CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)OC	REAL300030169627	0	58	0.0	-77.23	425.83	4.93	-72.30
O=C(C1=CSC=N1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169628	1	48	0.0	-73.22	375.94	3.63	-69.59
CC=C(CC)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169629	0	55	0.0	-76.45	410.47	5.78	-70.67
O=C(CC12CC(C1)C2)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169630	0	56	0.0	-79.60	410.67	6.64	-72.96
C#CCC(CC#C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169631	1	55	0.0	-79.65	421.90	6.52	-73.13
CCC(C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(C)O	REAL300030169632	1	58	0.0	-77.19	413.57	2.82	-74.37
COC(F)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169633	1	49	0.0	-84.60	373.97	2.70	-81.90
N#CC(=CC1CC1)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169634	1	54	0.0	-73.93	415.41	5.78	-68.15
N#CC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCC1	REAL300030169635	1	53	0.0	-81.83	397.63	4.85	-76.98
O=C(C=C1CCCC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169636	0	56	0.0	-76.76	410.98	6.40	-70.36
CC(C)(C#N)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169637	0	55	0.0	-80.89	409.42	5.44	-75.45
COCC(O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169638	1	53	0.0	-80.94	396.86	0.82	-80.12
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@@H]3CC3(F)F)CC2)CC1	REAL300030169639	1	49	0.0	-85.07	378.44	4.88	-80.19
N#C[C@@H]1C[C@H]1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169640	1	50	0.0	-84.12	387.91	5.10	-79.02
C=C(C)CCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169641	0	58	0.0	-78.55	434.39	6.73	-71.82
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@H]3C[C@@H](O)C3)CC2)CC1	REAL300030169642	1	53	0.0	-86.97	390.41	1.36	-85.61
CC1(C)CC1CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169643	0	58	0.0	-78.38	427.92	6.63	-71.75
O=C(C1=C(Cl)CC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169644	0	50	0.0	-83.53	390.37	5.57	-77.96
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@]34C[C@H]3[C@H](F)C4)CC2)CC1	REAL300030169645	1	53	0.0	-81.47	396.94	5.60	-75.87
O=C(C1=CNC(=O)O1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169646	1	49	0.0	-79.43	377.61	1.16	-78.27
CC(C)[C@@H]1C[C@H]1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169647	1	58	0.0	-77.31	425.46	6.39	-70.92
O=C(COCCO)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169649	1	53	0.0	-83.89	402.89	1.16	-82.73
CC(C)(CF)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169650	1	54	0.0	-79.38	391.56	4.62	-74.76
CC(C)[C@@H](O)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169651	0	58	0.0	-81.22	425.77	3.58	-77.64
CC(C)(CO)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169652	1	55	0.0	-79.33	395.91	1.33	-78.00
C=CCC(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169653	1	55	0.0	-77.84	406.96	5.60	-72.24
CC1CCCC1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169654	1	58	0.0	-78.15	413.96	6.40	-71.75
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@@H]3CC[C@@H]4C[C@@H]43)CC2)CC1	REAL300030169655	1	56	0.0	-78.45	404.86	6.19	-72.26
CC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC(F)C1	REAL300030169656	1	55	0.0	-82.50	403.20	5.29	-77.21
C[C@@H]1C[C@H]1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169657	1	52	0.0	-78.36	388.27	5.35	-73.01
CC(C)(O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169658	1	52	0.0	-76.37	381.92	1.40	-74.97
CSC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030169659	1	53	0.0	-74.64	410.38	5.61	-69.03
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=NOCC3)CC2)CC1	REAL300030169660	1	50	0.0	-75.56	377.57	2.92	-72.64
CC(C#N)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169661	0	52	0.0	-81.38	394.48	4.98	-76.40
C[N@H+](CC(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030169662	0	57	0.0	-65.77	416.86	3.64	-62.13
C[N@@H+](CC(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030169662	1	57	0.0	-66.57	417.22	3.65	-62.92
O=C(CCOC1CC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169663	0	56	0.0	-78.04	422.83	4.75	-73.29
O=C(CCCCCO)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169664	0	58	0.0	-81.09	432.85	2.93	-78.16
CC(CCO)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169665	1	55	0.0	-81.64	404.17	1.65	-79.99
O=C(C(F)=CC1CC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169666	1	53	0.0	-72.99	403.97	5.94	-67.05
O=C(CC1CC(F)C1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169667	0	55	0.0	-79.17	411.48	6.08	-73.09
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@H](O)CF)CC2)CC1	REAL300030169668	1	49	0.0	-82.56	369.49	1.58	-80.98
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3(CCO)CC3)CC2)CC1	REAL300030169669	1	56	0.0	-78.12	417.79	2.40	-75.72
CC(C)C(C)(O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169670	1	58	0.0	-75.90	412.55	2.85	-73.05
N#CC1=CC=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)O1	REAL300030169671	1	50	0.0	-78.23	394.27	4.62	-73.61
O=C(CC1=CC=CC=N1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169672	1	54	0.0	-83.02	410.39	5.29	-77.73
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3(O)CCC3)CC2)CC1	REAL300030169673	1	53	0.0	-81.43	387.74	2.10	-79.33
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C(O)C3CC3)CC2)CC1	REAL300030169674	1	53	0.0	-80.80	390.55	3.15	-77.65
O=C(CN1C=NN=C1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169675	1	51	0.0	-94.72	392.43	6.66	-88.06
C=C(C)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169676	0	52	0.0	-78.19	391.46	5.14	-73.05
CC(C)(C#N)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169677	1	52	0.0	-76.40	388.37	4.06	-72.34
CCSCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169678	1	52	0.0	-80.86	401.46	5.30	-75.56
CC(=O)OCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169679	0	54	0.0	-84.45	413.96	4.92	-79.53
CC(C)=C(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169680	0	55	0.0	-76.43	406.58	5.80	-70.63
CC1(CCC(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)N=N1	REAL300030169681	0	54	0.0	-75.91	410.62	0.57	-75.34
O=C(COC1COC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169683	1	54	0.0	-84.02	409.31	2.87	-81.15
C[C@@H]1C[C@]2(C(=O)N3CC[NH+](C4CCN(C(=O)C5=CC(=O)[N-]O5)CC4)CC3)C[C@H]12	REAL300030169684	1	56	0.0	-79.54	412.65	6.33	-73.21
CNC(=O)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169685	0	52	0.0	-89.76	393.02	2.97	-86.79
CC(=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(F)F	REAL300030169686	0	52	0.0	-81.59	398.19	5.47	-76.12
CN1C=NN=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169687	1	51	0.0	-76.47	385.40	5.42	-71.05
C[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169688	1	56	0.0	-81.63	406.43	3.81	-77.82
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CC(F)C3)CC2)CC1	REAL300030169689	1	52	0.0	-81.49	389.28	5.24	-76.25
CCC(O)C(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169690	1	58	0.0	-79.80	421.00	3.96	-75.84
O=C(CC1CC(=O)N1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169691	0	53	0.0	-86.79	401.49	0.73	-86.06
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C(O)C3CCC3)CC2)CC1	REAL300030169692	1	56	0.0	-80.31	408.05	3.89	-76.42
C[NH+]1CC(CC(=O)N2CCN(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030169693	1	57	0.0	-70.89	419.08	3.13	-67.76
CC1(O)CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030169694	1	56	0.0	-82.02	413.47	2.30	-79.72
C=CCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169695	0	49	0.0	-78.45	369.85	4.49	-73.96
C[NH+](C)CC(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169696	0	53	0.0	-69.47	387.79	2.25	-67.22
NC1=CC=CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030169697	1	54	0.0	-77.96	404.51	3.57	-74.39
N#CCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169698	1	46	0.0	-91.43	356.40	3.62	-87.81
NC1=CC=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C=C1	REAL300030169699	1	54	0.0	-83.68	401.16	3.35	-80.33
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CC3F)CC2)CC1	REAL300030169700	1	49	0.0	-81.67	371.62	4.77	-76.90
C[C@@H](C(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030169701	0	56	0.0	-66.60	401.65	2.45	-64.15
O=C(CCF)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169702	0	48	0.0	-78.40	363.53	4.10	-74.30
O=C(C1=CC(F)=NN1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169703	1	49	0.0	-83.03	377.27	2.46	-80.57
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3C=CCC3)CC2)CC1	REAL300030169704	1	53	0.0	-79.05	388.43	5.38	-73.67
CCC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)COC1	REAL300030169705	1	56	0.0	-82.78	406.41	3.08	-79.70
C#CC(C)(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169706	1	53	0.0	-76.19	394.62	5.03	-71.16
COC(C)C(O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169707	1	56	0.0	-83.34	414.72	1.73	-81.61
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)CC1	REAL300030169708	1	52	0.0	-94.38	388.45	-1.11	-95.49
CCSC(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169709	1	55	0.0	-81.46	416.71	5.70	-75.76
C[NH+](C)CC=CC(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169711	1	57	0.0	-80.30	422.09	3.31	-76.99
O=C(C1=CCSC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169712	0	51	0.0	-78.46	396.46	5.35	-73.11
CO[C@H](C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169713	1	52	0.0	-83.27	384.60	3.62	-79.65
CC(=O)CCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169714	1	53	0.0	-77.24	401.52	4.61	-72.63
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CCCC3O)CC2)CC1	REAL300030169715	1	56	0.0	-78.67	408.84	2.56	-76.11
C[C@@H](O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169716	1	49	0.0	-84.13	363.23	1.38	-82.75
CC[NH+](CC)CC(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169717	0	59	0.0	-67.00	419.11	3.32	-63.68
CC1=CC=NC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030169718	1	54	0.0	-74.40	404.55	5.30	-69.10
O=C(CN1CCC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169719	0	54	0.0	-80.36	397.91	1.67	-78.69
CC(C)C(O)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169720	0	58	0.0	-81.05	423.17	3.81	-77.24
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3COC(=O)C3)CC2)CC1	REAL300030169721	1	52	0.0	-89.86	389.72	4.02	-85.84
CC(O)C(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169722	1	55	0.0	-77.54	404.00	2.12	-75.42
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3(O)CCOC3)CC2)CC1	REAL300030169723	1	54	0.0	-83.45	392.50	0.07	-83.38
CCC(C)(C#N)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169724	1	55	0.0	-76.49	404.65	4.55	-71.94
C=C1CC1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169725	1	50	0.0	-77.98	380.20	5.24	-72.74
O=C(CC1CC=CC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169726	0	56	0.0	-78.33	412.70	6.45	-71.88
O=C(CC1OCCO1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169727	0	54	0.0	-80.58	403.68	3.24	-77.34
COC(OC)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169728	1	53	0.0	-81.73	392.66	3.10	-78.63
N#CC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC=CC1	REAL300030169729	1	54	0.0	-81.87	405.35	5.39	-76.48
O=C(CCC[N+](=O)[O-])N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169730	0	53	0.0	-87.21	407.53	5.12	-82.09
N#CC1(CC(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030169731	0	53	0.0	-89.52	404.53	5.41	-84.11
COC(=O)CCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169732	0	54	0.0	-78.46	412.40	4.74	-73.72
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=CCCOC3)CC2)CC1	REAL300030169733	0	54	0.0	-81.12	400.42	3.50	-77.62
CC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1(F)F	REAL300030169734	1	52	0.0	-84.91	396.05	5.14	-79.77
CC(C)(C)C(O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169735	1	58	0.0	-78.75	409.65	3.44	-75.31
CC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)COC1	REAL300030169736	1	53	0.0	-80.17	388.63	2.66	-77.51
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=CCCCO3)CC2)CC1	REAL300030169737	1	54	0.0	-74.75	398.21	4.54	-70.21
CC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCCO1	REAL300030169738	1	56	0.0	-74.21	406.38	4.24	-69.97
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CC(=O)N3)CC2)CC1	REAL300030169739	1	50	0.0	-91.92	381.18	0.43	-91.49
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@@H]3CC(=O)N3)CC2)CC1	REAL300030169740	1	50	0.0	-92.93	380.42	0.17	-92.76
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=CCCCC3)CC2)CC1	REAL300030169741	0	56	0.0	-76.76	412.66	6.16	-70.60
CCC[C@H](O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169742	1	55	0.0	-80.81	405.79	3.03	-77.78
CC1CC(C)(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030169743	1	58	0.0	-79.09	416.59	5.82	-73.27
NC1=CC=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C=C1	REAL300030169745	1	54	0.0	-83.68	401.16	3.35	-80.33
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@H]3CC3(F)F)CC2)CC1	REAL300030169746	1	49	0.0	-84.05	377.75	4.72	-79.33
O=C(CC1=CNN=C1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169747	0	52	0.0	-84.79	396.79	3.41	-81.38
CC1=CC=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)N=C1	REAL300030169748	1	54	0.0	-73.69	407.84	5.53	-68.16
CC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC(=O)C1	REAL300030169749	1	54	0.0	-87.50	399.47	4.45	-83.05
O=C(CC1=CNC=C1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169750	0	53	0.0	-84.55	398.31	4.54	-80.01
CCCC(C)(O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169751	1	58	0.0	-75.60	416.98	2.51	-73.09
CCOC(C)(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169752	1	58	0.0	-75.11	419.23	4.48	-70.63
O=C(CC1CC(=O)C1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169753	1	54	0.0	-85.43	407.46	5.10	-80.33
O=C(CC1CSC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169754	0	53	0.0	-83.82	404.62	5.63	-78.19
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3(F)CCC3)CC2)CC1	REAL300030169755	1	52	0.0	-77.51	386.96	5.15	-72.36
O=C(C1=CNC=N1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169756	1	49	0.0	-74.37	371.64	4.22	-70.15
CC1=NOC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=N1	REAL300030169757	1	50	0.0	-82.09	384.43	1.36	-80.73
CCOC(=O)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169758	0	54	0.0	-86.67	410.74	5.82	-80.85
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CC(=O)C3)CC2)CC1	REAL300030169759	1	51	0.0	-83.87	385.44	4.23	-79.64
O=C(CN1C=CN=N1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169760	1	51	0.0	-95.97	391.01	2.99	-92.98
C=CC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCC1	REAL300030169761	1	56	0.0	-77.20	403.66	6.12	-71.08
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3(O)COC3)CC2)CC1	REAL300030169762	1	51	0.0	-77.57	382.07	-0.15	-77.72
CCC(C)C(O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169763	1	58	0.0	-78.28	417.57	3.74	-74.54
CC(C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)=C1CC1	REAL300030169764	0	53	0.0	-77.55	403.58	5.86	-71.69
CC1=CC1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169765	0	50	0.0	-78.41	381.38	5.23	-73.18
CN(C)C(=O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169766	1	52	0.0	-80.07	394.76	2.49	-77.58
CC(=O)C1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030169767	1	54	0.0	-74.84	409.86	4.94	-69.90
CCCC(O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169768	1	55	0.0	-79.56	405.50	3.12	-76.44
CCCCC(O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169769	1	58	0.0	-79.71	426.99	3.90	-75.81
COC(C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(C)O	REAL300030169770	1	56	0.0	-80.10	412.12	1.81	-78.29
O=C(CSC1CC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169771	1	53	0.0	-80.64	412.05	6.12	-74.52
CCC(O)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169772	0	55	0.0	-81.15	409.11	3.08	-78.07
N#CC1=CNN=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169773	1	50	0.0	-84.77	391.89	3.28	-81.49
CNC(=O)CCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169774	0	55	0.0	-78.98	416.55	2.26	-76.72
O=C(CCCCF)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169775	0	54	0.0	-78.90	406.52	5.63	-73.27
O=C(C1=CSN=C1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169776	1	48	0.0	-81.61	374.48	3.43	-78.18
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CCC(=O)C3)CC2)CC1	REAL300030169777	1	54	0.0	-85.35	397.71	4.40	-80.95
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@H]3CC(=O)N3)CC2)CC1	REAL300030169778	1	50	0.0	-90.70	381.21	0.53	-90.17
O=C(CN1C=NC=N1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169779	1	51	0.0	-92.78	391.93	5.71	-87.07
COC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030169780	1	53	0.0	-74.97	399.54	3.70	-71.27
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CSC3)CC2)CC1	REAL300030169781	1	50	0.0	-81.68	381.83	4.78	-76.90
NC1=NC=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)O1	REAL300030169782	1	50	0.0	-79.15	382.97	-1.11	-80.26
O=C(CC1(CO)CC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169783	0	56	0.0	-78.40	417.25	2.57	-75.83
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CCC=CO3)CC2)CC1	REAL300030169784	1	54	0.0	-81.78	398.45	5.23	-76.55
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3(O)CCCC3)CC2)CC1	REAL300030169785	1	56	0.0	-82.98	401.72	2.71	-80.27
C=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169786	0	46	0.0	-78.57	347.69	3.64	-74.93
CCC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)COC1	REAL300030169787	1	56	0.0	-77.93	406.60	3.13	-74.80
CC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCCO1	REAL300030169788	1	56	0.0	-73.59	404.67	4.22	-69.37
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CC(=O)N3)CC2)CC1	REAL300030169789	1	50	0.0	-87.42	380.84	0.43	-86.99
C[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169790	1	56	0.0	-78.41	407.44	3.75	-74.66
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CC(F)C3)CC2)CC1	REAL300030169791	1	52	0.0	-74.84	389.02	5.15	-69.69
CCC(O)C(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169792	1	58	0.0	-78.20	421.21	3.38	-74.82
O=C(CC1CC(=O)N1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169793	1	53	0.0	-83.74	401.81	0.89	-82.85
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C(O)C3CCC3)CC2)CC1	REAL300030169794	1	56	0.0	-76.85	406.67	3.83	-73.02
O=C(C1=CC=NO1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169795	1	48	0.0	-74.30	367.52	3.28	-71.02
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCC[N@@H+]1C	REAL300030169932	0	45	0.0	-72.43	351.47	3.05	-69.38
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCC[N@H+]1C	REAL300030169932	1	45	0.0	-66.97	354.15	3.50	-63.47
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1C[N@H+](C)CCO1	REAL300030169956	1	46	0.0	-67.23	358.87	2.74	-64.49
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1C[N@@H+](C)CCO1	REAL300030169956	1	46	0.0	-82.91	364.41	2.84	-80.07
CC(C)C1=[NH+]C=CN1CCC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030170158	1	52	0.0	-66.40	418.40	5.72	-60.68
CC(C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300030170166	0	54	0.0	-67.25	399.78	4.89	-62.36
CC(C)[N@@H+]1CCCCC1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030170169	0	54	0.0	-65.47	394.95	4.81	-60.66
CC(C)[N@H+]1CCCCC1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030170169	1	54	0.0	-64.40	404.18	4.99	-59.41
CC(C)[N@@H+]1CCCC1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030170205	0	51	0.0	-67.40	378.53	4.49	-62.91
CC(C)[N@H+]1CCCC1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030170205	1	51	0.0	-66.72	391.93	4.50	-62.22
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC2CCCC[N@@H+]2C1	REAL300030170235	0	52	0.0	-70.63	398.43	5.23	-65.40
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC2CCCC[N@H+]2C1	REAL300030170235	1	52	0.0	-68.66	395.58	5.21	-63.45
CC(C)C1=[NH+]C=CN1CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030170275	1	49	0.0	-65.29	398.06	5.25	-60.04
CC1=[NH+]C=CN1CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030170337	1	43	0.0	-67.14	361.84	4.11	-63.03
CC(C[NH+]1CCOCC1)C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030170339	0	52	0.0	-73.87	399.38	3.01	-70.86
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCC[NH+]1CCCCC1	REAL300030170362	0	54	0.0	-71.34	416.84	5.84	-65.50
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C(C)(C)[NH+]1CCCCC1	REAL300030170403	0	54	0.0	-72.95	391.42	5.43	-67.52
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300030170406	0	58	0.0	-72.05	433.66	6.40	-65.65
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300030170406	1	58	0.0	-72.66	433.74	6.40	-66.26
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1C[NH+]2CCC1CC2	REAL300030170424	0	49	0.0	-81.53	370.00	4.08	-77.45
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCCC2CCC[N@@H+]21	REAL300030170491	0	52	0.0	-72.22	388.98	4.94	-67.28
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCCC2CCC[N@H+]21	REAL300030170491	1	52	0.0	-66.41	384.24	4.71	-61.70
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300030170494	0	51	0.0	-79.12	411.27	3.65	-75.47
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300030170511	0	51	0.0	-88.36	413.85	4.47	-83.89
C[C@@H]1[C@H](C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030170519	0	48	0.0	-74.04	367.70	3.47	-70.57
C[C@@H]1[C@H](C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030170519	1	48	0.0	-70.67	372.48	4.03	-66.64
CCC1=[NH+]C=CN1C(C)CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030170523	1	52	0.0	-67.13	418.94	5.79	-61.34
CC[C@@H]1[C@@H](C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030170526	0	51	0.0	-70.57	388.99	4.25	-66.32
CC[C@@H]1[C@@H](C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030170526	1	51	0.0	-72.08	388.76	4.55	-67.53
CC[N@@H+]1CCOC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030170556	1	49	0.0	-76.43	375.43	3.33	-73.10
CC[N@H+]1CCOC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030170556	1	49	0.0	-78.75	383.96	3.56	-75.19
CC[NH+](CC)CC(F)C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030170632	0	50	0.0	-74.01	390.94	4.26	-69.75
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=C(C[NH+](C)C)C=CS1	REAL300030170633	0	48	0.0	-73.55	405.79	5.01	-68.54
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1	REAL300030170687	1	52	0.0	-76.82	409.97	3.46	-73.36
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=NNC(C2CCC[N@H+]2C)=C1	REAL300030170687	1	52	0.0	-78.58	416.81	3.89	-74.69
CC1CCC(C)[NH+]1CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030170762	0	51	0.0	-67.58	389.63	4.52	-63.06
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCC[NH+]1CCCC1	REAL300030170773	0	51	0.0	-71.06	401.62	5.18	-65.88
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC(C[NH+](C)C)=CC=C1	REAL300030170774	0	51	0.0	-74.22	407.27	5.66	-68.56
C#CC[NH+]1CCC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030170784	0	50	0.0	-75.67	398.86	5.30	-70.37
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC[NH+]1CCCCC1	REAL300030170786	0	51	0.0	-71.65	395.33	5.04	-66.61
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC=CC=C1C[NH+](C)C	REAL300030170790	0	51	0.0	-72.94	406.66	5.74	-67.20
CC[N@@H+]1CCCCC1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030170802	0	51	0.0	-64.71	389.67	4.82	-59.89
CC[N@H+]1CCCCC1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030170802	1	51	0.0	-66.16	377.93	4.35	-61.81
CC(C)C(C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300030170803	0	57	0.0	-67.19	416.85	6.25	-60.94
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C(C1=CC=CC=C1)[NH+](C)C	REAL300030170807	1	51	0.0	-66.00	399.39	5.82	-60.18
CC(C)C[N@@H+]1CCC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030170834	0	54	0.0	-69.66	413.59	5.42	-64.24
CC(C)C[N@H+]1CCC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030170834	1	54	0.0	-72.88	414.52	5.39	-67.49
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1([NH+](C)C)CCC1	REAL300030170838	0	48	0.0	-69.43	361.20	3.45	-65.98
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCC[N@@H+]1C1CCOCC1	REAL300030170841	0	56	0.0	-70.26	402.13	2.96	-67.30
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCC[N@H+]1C1CCOCC1	REAL300030170841	1	56	0.0	-73.79	414.80	4.43	-69.36
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C(CN1C=CC=N1)[NH+](C)C	REAL300030170843	1	51	0.0	-65.65	398.83	4.02	-61.63
CC(C)[N@@H+]1CCCC1CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030170850	0	54	0.0	-65.35	400.05	5.17	-60.18
CC(C)[N@H+]1CCCC1CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030170850	1	54	0.0	-66.06	402.73	4.76	-61.30
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCC[N@@H+]1C1CCCC1	REAL300030170851	0	55	0.0	-71.83	397.98	5.30	-66.53
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCC[N@H+]1C1CCCC1	REAL300030170851	1	55	0.0	-69.42	410.97	5.81	-63.61
CC(C)[C@@H](C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030170881	0	50	0.0	-68.52	376.32	4.40	-64.12
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@H+](C)C1CCC1	REAL300030170954	0	48	0.0	-67.76	377.50	4.55	-63.21
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@@H+](C)C1CCC1	REAL300030170954	1	48	0.0	-68.68	378.64	4.48	-64.20
CC(C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300030171059	0	54	0.0	-66.35	402.17	4.83	-61.52
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCN(C)C1=CC=[NH+]C=C1	REAL300030171144	0	50	0.0	-71.96	407.12	4.22	-67.74
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030171158	1	47	0.0	-66.69	375.74	4.32	-62.37
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030171158	1	47	0.0	-70.98	382.08	4.74	-66.24
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCC1CCC[N@@H+]1C	REAL300030171170	0	51	0.0	-71.01	394.92	4.60	-66.41
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCC1CCC[N@H+]1C	REAL300030171170	1	51	0.0	-75.01	400.41	5.06	-69.95
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C12CCC[NH+](CCC1)C2	REAL300030171187	0	52	0.0	-70.89	380.46	4.32	-66.57
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCC2CCCC[N@@H+]21	REAL300030171195	0	52	0.0	-67.12	399.42	5.40	-61.72
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCC2CCCC[N@H+]21	REAL300030171195	1	52	0.0	-66.39	392.51	5.00	-61.39
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C(C)(C)C[NH+]1CCOCC1	REAL300030171207	0	55	0.0	-71.03	403.39	3.21	-67.82
CC[NH+](CC)CC1=CC=C(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030171224	0	54	0.0	-80.33	425.58	5.51	-74.82
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCCC[NH+]1CCCC1	REAL300030171229	0	54	0.0	-72.25	423.97	5.89	-66.36
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300030171232	1	51	0.0	-74.93	409.12	6.10	-68.83
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300030171232	1	51	0.0	-75.31	408.03	6.19	-69.12
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC[NH+](C)CC1	REAL300030171250	0	48	0.0	-74.81	373.91	4.00	-70.81
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300030171323	1	47	0.0	-81.19	389.39	3.90	-77.29
CC1=C(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300030171325	0	46	0.0	-78.03	385.14	6.30	-71.73
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCCC[N@@H+]1C	REAL300030171384	0	48	0.0	-69.35	373.38	4.13	-65.22
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCCC[N@H+]1C	REAL300030171384	1	48	0.0	-66.71	372.52	4.07	-62.64
CC(C)C[N@@H+]1CCCC1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030171421	0	54	0.0	-70.27	410.79	5.20	-65.07
CC(C)C[N@H+]1CCCC1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030171421	1	54	0.0	-68.38	413.91	5.57	-62.81
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300030171610	0	43	0.0	-78.30	367.73	5.99	-72.31
CC1=[NH+]C=CN1CCCC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030171626	1	49	0.0	-67.33	403.62	5.48	-61.85
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCCC[NH+]1CCOCC1	REAL300030171630	1	55	0.0	-75.57	430.90	4.16	-71.41
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300030171636	0	51	0.0	-82.68	407.04	5.76	-76.92
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC[NH+]1CCOCC1	REAL300030171637	1	49	0.0	-74.35	387.04	2.66	-71.69
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C(C)(C1=CC=CC=C1)[NH+](C)C	REAL300030171659	0	54	0.0	-76.31	397.90	5.51	-70.80
CCC[NH+](CCC)CCCC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030171667	0	59	0.0	-72.18	450.74	6.49	-65.69
CC[N@H+](C)C(C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300030171668	0	54	0.0	-66.93	412.36	6.15	-60.78
CC[N@@H+](C)C(C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300030171668	1	54	0.0	-65.33	419.52	6.45	-58.88
CC1=C[NH+]=CN1CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030171695	1	43	0.0	-66.81	361.14	4.93	-61.88
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CN1C=[NH+]C2=C1CCCC2	REAL300030171709	1	50	0.0	-70.78	404.62	6.60	-64.18
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1(C[NH+](C)C)CCCCC1	REAL300030171757	0	57	0.0	-67.68	404.38	5.26	-62.42
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC=CC=C1CC[NH+](C)C	REAL300030171758	0	54	0.0	-68.53	426.66	6.46	-62.07
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC[N@H+](C)C1CCCCC1	REAL300030171765	0	57	0.0	-73.86	430.19	6.23	-67.63
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC[N@@H+](C)C1CCCCC1	REAL300030171765	1	57	0.0	-73.42	431.40	6.17	-67.25
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C12CCC[NH+]1CCC2	REAL300030171771	0	49	0.0	-65.69	369.80	4.00	-61.69
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCCC([NH+](C)C)C1	REAL300030171815	0	54	0.0	-67.38	401.30	5.01	-62.37
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1CC[N@H+](C)C1	REAL300030171822	0	48	0.0	-73.19	378.67	4.21	-68.98
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1CC[N@@H+](C)C1	REAL300030171822	1	48	0.0	-72.31	378.93	4.15	-68.16
CN(C)C1=CC=[NH+]C=C1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030171836	0	47	0.0	-81.18	384.02	2.43	-78.75
CCC(C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030171842	0	47	0.0	-70.66	361.99	3.59	-67.07
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1([NH+](C)C)CCCC1	REAL300030171867	0	54	0.0	-74.66	396.47	5.00	-69.66
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300030171946	1	43	0.0	-75.72	368.33	5.95	-69.77
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300030171995	1	46	0.0	-86.21	388.98	4.29	-81.92
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCCC[NH+](C)C	REAL300030172031	0	50	0.0	-73.59	398.01	4.71	-68.88
CC(C)C(C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030172056	0	50	0.0	-72.73	376.76	4.22	-68.51
CCC[N@H+](C)CCC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030172058	0	50	0.0	-72.85	393.37	4.61	-68.24
CCC[N@@H+](C)CCC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030172058	1	50	0.0	-73.73	394.58	4.53	-69.20
CCC[N@H+](C)CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030172065	0	47	0.0	-70.21	370.61	4.01	-66.20
CCC[N@@H+](C)CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030172065	1	47	0.0	-70.19	371.64	3.93	-66.26
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C12CC[N@H+](C1)CCC2	REAL300030172098	0	49	0.0	-82.35	362.91	3.40	-78.95
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C12CC[N@@H+](C1)CCC2	REAL300030172098	1	49	0.0	-71.34	365.00	3.50	-67.84
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300030172174	0	45	0.0	-68.89	356.93	3.46	-65.43
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)[C@H]1CCC[N@H+]1C	REAL300030172174	1	45	0.0	-68.74	352.44	3.07	-65.67
CC1CC2CCC(C(=O)N(C)CC3CN(C(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300030172205	0	55	0.0	-68.45	414.67	5.67	-62.78
CC1CC2CCC(C(=O)N(C)CC3CN(C(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300030172205	1	55	0.0	-68.65	415.05	5.64	-63.01
CCCCCC[N@H+](C)CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030172265	0	56	0.0	-71.71	436.13	6.26	-65.45
CCCCCC[N@@H+](C)CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030172265	1	56	0.0	-71.42	436.14	6.27	-65.15
CC[NH+](CC)C(C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300030172277	0	56	0.0	-65.29	407.14	5.32	-59.97
CC[NH+](CC)CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030172290	0	47	0.0	-69.01	364.23	3.60	-65.41
CCC[N@@H+]1CCCC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030172323	0	54	0.0	-65.06	404.41	5.54	-59.52
CCC[N@H+]1CCCC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030172323	1	54	0.0	-62.04	405.13	5.61	-56.43
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300030172336	0	58	0.0	-68.23	421.88	6.18	-62.05
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCCC[N@H+]1C1CCCC1	REAL300030172336	1	58	0.0	-66.46	426.42	6.30	-60.16
CC(C)[N@@H+]1CCOC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030172349	0	52	0.0	-82.01	398.15	3.99	-78.02
CC(C)[N@H+]1CCOC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030172349	1	52	0.0	-76.37	391.61	3.81	-72.56
CC1CC[NH+](CC(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030172393	0	51	0.0	-71.51	396.05	5.04	-66.47
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300030172427	1	46	0.0	-78.68	386.25	3.59	-75.09
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)COC1CC[NH+](C)CC1	REAL300030172437	0	52	0.0	-78.76	412.93	4.70	-74.06
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1(C[NH+](C)C)CC1	REAL300030172457	0	48	0.0	-75.42	380.43	4.11	-71.31
CC1=[NH+]C=C2CCC(C(=O)N(C)CC3CN(C(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300030172458	1	50	0.0	-66.70	395.72	5.07	-61.63
CC(C)[NH+]1CCC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030172570	0	54	0.0	-72.09	404.57	4.96	-67.13
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC[NH+](C)CC1	REAL300030172602	0	48	0.0	-74.81	373.91	4.00	-70.81
CC(C)[C@H](C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030172625	0	50	0.0	-68.58	378.48	4.41	-64.17
CCC(C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030172665	0	53	0.0	-66.14	391.31	4.42	-61.72
CC[N@H+](C)CCC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030172769	0	47	0.0	-72.19	372.51	3.75	-68.44
CC[N@@H+](C)CCC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030172769	1	47	0.0	-73.06	373.08	3.80	-69.26
CC1CCC[N@@H+]1CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030172858	0	48	0.0	-67.26	378.68	4.19	-63.07
CC1CCC[N@H+]1CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030172858	1	48	0.0	-67.41	370.20	3.99	-63.42
CC1CC[N@H+](CC(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030172861	0	48	0.0	-70.41	378.36	4.28	-66.13
CC1CC[N@@H+](CC(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030172861	1	48	0.0	-69.90	377.47	4.33	-65.57
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1(F)CC[N@@H+](C(C)(C)C)C1	REAL300030172862	0	54	0.0	-69.33	408.05	4.75	-64.58
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1(F)CC[N@H+](C(C)(C)C)C1	REAL300030172862	1	54	0.0	-61.67	409.72	4.76	-56.91
CC1=[NH+]C=C2CC(C(=O)N(C)CC3CN(C(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300030172864	1	50	0.0	-68.53	396.97	5.14	-63.39
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300030172866	0	54	0.0	-81.85	430.94	6.52	-75.33
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300030172868	0	51	0.0	-69.78	396.45	4.86	-64.92
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@H+]1CCC(C)(C)C1	REAL300030172868	1	51	0.0	-69.34	396.35	4.83	-64.51
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@H+](C)CC(C)(C)C	REAL300030172869	0	53	0.0	-69.81	402.19	5.05	-64.76
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@@H+](C)CC(C)(C)C	REAL300030172869	1	53	0.0	-70.84	400.25	4.90	-65.94
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300030172870	0	54	0.0	-73.40	431.55	6.95	-66.45
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300030172870	1	54	0.0	-73.80	431.55	6.94	-66.86
CC[C@@H](C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030172882	0	47	0.0	-68.96	363.87	3.66	-65.30
CC(COCC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300030172890	0	55	0.0	-67.20	431.23	5.34	-61.86
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC[NH+](CC2CC2)CC1	REAL300030173007	0	55	0.0	-75.28	423.10	6.21	-69.07
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C1=CC=CC=C1	REAL300030173070	0	55	0.0	-73.70	431.41	6.71	-66.99
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C1=CC=CC=C1	REAL300030173070	1	55	0.0	-78.80	434.10	6.79	-72.01
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1(O)CC[NH+](C)CC1	REAL300030173181	0	52	0.0	-70.57	399.02	3.01	-67.56
COCC[N@@H+]1CCCC1CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030173190	0	55	0.0	-72.47	421.34	3.97	-68.50
COCC[N@H+]1CCCC1CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030173190	1	55	0.0	-68.36	430.55	4.05	-64.31
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[NH+]1CCC(CO)CC1	REAL300030173203	0	52	0.0	-72.72	406.88	1.73	-70.99
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[NH+]1CCCCCC1	REAL300030173207	0	51	0.0	-70.96	383.49	4.56	-66.40
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N+]1=CN(C)C=C1	REAL300030173212	0	43	0.0	-68.32	363.02	6.11	-62.21
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCC[N@H+](C)C1	REAL300030173225	0	48	0.0	-65.04	366.44	4.06	-60.98
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCC[N@@H+](C)C1	REAL300030173225	1	48	0.0	-65.00	364.84	4.14	-60.86
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCC[N@@H+]1C1CC1	REAL300030173230	0	49	0.0	-66.30	385.38	4.93	-61.37
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCC[N@H+]1C1CC1	REAL300030173230	1	49	0.0	-66.52	381.34	4.81	-61.71
CC(C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030173271	1	45	0.0	-70.08	359.68	3.41	-66.67
CCC(CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030173283	0	53	0.0	-60.89	407.95	5.20	-55.69
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C(C)(C)C[NH+](C)C	REAL300030173292	0	50	0.0	-71.80	373.94	3.76	-68.04
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300030173316	0	50	0.0	-70.74	386.16	5.04	-65.70
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300030173316	1	50	0.0	-71.18	385.39	4.71	-66.47
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[NH+]1CCC(O)CC1	REAL300030173344	1	49	0.0	-74.43	385.79	1.06	-73.37
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@H+](C)C1CC1	REAL300030173346	0	45	0.0	-67.59	361.18	4.01	-63.58
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@@H+](C)C1CC1	REAL300030173346	1	45	0.0	-68.63	362.25	3.94	-64.69
CC(C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300030173347	1	53	0.0	-74.80	406.42	2.37	-72.43
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1C[NH+](C)C1	REAL300030173383	0	45	0.0	-71.59	364.43	3.39	-68.20
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC[N@@H+]1C1CCCC1	REAL300030173387	0	52	0.0	-72.43	393.05	4.84	-67.59
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC[N@H+]1C1CCCC1	REAL300030173387	1	52	0.0	-70.31	396.99	5.04	-65.27
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300030173396	0	51	0.0	-69.74	373.05	3.57	-66.17
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC[N@H+]1C(C)(C)C	REAL300030173396	1	51	0.0	-69.01	392.38	4.13	-64.88
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300030173409	0	51	0.0	-74.64	403.73	2.88	-71.76
C[C@@H](C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030173413	0	44	0.0	-67.18	347.92	2.99	-64.19
CCC1CCC[N@H+](CC(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030173472	0	54	0.0	-67.78	405.27	5.25	-62.53
CCC1CCC[N@@H+](CC(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030173472	1	54	0.0	-70.86	412.37	5.71	-65.15
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC=C(C[NH+](C)C)N1	REAL300030173482	0	49	0.0	-86.63	393.81	4.08	-82.55
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1CC2CCC(C1)[NH+]2C	REAL300030173499	0	55	0.0	-75.69	398.33	5.02	-70.67
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC(C1=CC=CC=C1)[NH+](C)C	REAL300030173506	0	54	0.0	-78.00	423.02	6.58	-71.42
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CN1C=CSC1=[NH2+]	REAL300030173554	0	41	0.0	-67.12	359.48	2.69	-64.43
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC[N@H+](C)CCO	REAL300030173567	0	48	0.0	-73.41	383.43	0.57	-72.84
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC[N@@H+](C)CCO	REAL300030173567	1	48	0.0	-70.92	382.17	0.64	-70.28
C[C@@H](C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030173568	0	44	0.0	-67.18	347.92	2.99	-64.19
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)[C@H]1CCCC[N@@H+]1C	REAL300030173573	0	48	0.0	-68.76	372.52	4.16	-64.60
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)[C@H]1CCCC[N@H+]1C	REAL300030173573	1	48	0.0	-73.28	364.98	3.83	-69.45
CC1CN2CC[N@@H+]1CC2C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030173584	0	51	0.0	-77.79	382.61	1.27	-76.52
CC1CN2CC[N@H+]1CC2C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030173584	1	51	0.0	-79.29	380.50	1.22	-78.07
COC1C[N@@H+]2CCCC2(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030173638	0	53	0.0	-69.19	403.29	2.97	-66.22
COC1C[N@H+]2CCCC2(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030173638	1	53	0.0	-70.66	403.13	2.94	-67.72
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1=CC2=C[NH+]=CN2C=C1	REAL300030173656	0	46	0.0	-67.35	387.05	6.75	-60.60
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@H+](C)C1CCSC1	REAL300030173693	0	49	0.0	-77.98	391.98	4.76	-73.22
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@@H+](C)C1CCSC1	REAL300030173693	1	49	0.0	-76.81	392.33	4.78	-72.03
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[NH+]1CCC1	REAL300030173694	1	42	0.0	-70.20	342.74	2.95	-67.25
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC=NC(C[NH+](C)C)=C1	REAL300030173738	1	50	0.0	-71.78	403.18	3.80	-67.98
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C=C1CC[N@H+](C)C1	REAL300030173740	0	46	0.0	-74.32	370.50	4.06	-70.26
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C=C1CC[N@@H+](C)C1	REAL300030173740	1	46	0.0	-75.60	370.05	4.12	-71.48
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1C[NH+](C2CCCCC2)C1	REAL300030173771	0	55	0.0	-73.27	423.80	5.82	-67.45
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)COCC[NH+](C)C	REAL300030173792	0	48	0.0	-68.04	388.52	3.64	-64.40
CCCCC[N@H+](C)CCC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030173800	0	56	0.0	-73.73	437.00	6.05	-67.68
CCCCC[N@@H+](C)CCC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030173800	1	56	0.0	-74.59	437.57	6.09	-68.50
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300030173812	0	52	0.0	-72.28	407.55	4.41	-67.87
C=CCC(C)(C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030173824	0	51	0.0	-74.91	376.10	4.09	-70.82
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C(O)CC[S+](C)C	REAL300030173829	0	47	0.0	-75.77	393.22	1.96	-73.81
C[C@H](C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030173848	0	44	0.0	-70.64	349.28	2.95	-67.69
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1(C)CC(O)C[N@@H+]1C	REAL300030173872	0	49	0.0	-71.56	372.27	0.36	-71.20
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1(C)CC(O)C[N@H+]1C	REAL300030173872	1	49	0.0	-69.65	370.69	-0.37	-70.02
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CN(C)CC[N@H+](C)C1	REAL300030173887	0	53	0.0	-68.33	397.60	2.39	-65.94
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CN(C)CC[N@@H+](C)C1	REAL300030173887	1	53	0.0	-69.90	400.29	2.14	-67.76
CC(C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300030173888	0	52	0.0	-70.68	399.46	1.40	-69.28
CC(C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300030173888	1	52	0.0	-69.17	399.77	1.41	-67.76
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1C[NH+](C2CCOC2)C1	REAL300030173891	0	50	0.0	-79.56	397.70	2.82	-76.74
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[NH+]1CCC(CO)CC1	REAL300030173906	0	52	0.0	-72.72	406.88	1.73	-70.99
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1(O)CCC[N@H+](C)C1	REAL300030173917	0	52	0.0	-60.28	402.69	2.89	-57.39
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1(O)CCC[N@@H+](C)C1	REAL300030173917	1	52	0.0	-66.13	393.42	2.71	-63.42
CC1C[NH+](CC(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030173921	1	45	0.0	-70.50	363.05	3.70	-66.80
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[NH+]1CCC(C(N)=O)CC1	REAL300030173927	0	52	0.0	-84.28	411.12	1.10	-83.18
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@H+](C)CCO	REAL300030173953	1	45	0.0	-70.17	360.50	-0.06	-70.23
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@@H+](C)CCO	REAL300030173953	1	45	0.0	-71.71	360.28	-0.08	-71.79
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C=C1CC2CCC(C1)[NH+]2C	REAL300030173986	0	53	0.0	-71.15	405.15	5.50	-65.65
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1C[N@@H+]2CCN1CCC2	REAL300030173991	0	51	0.0	-74.85	372.80	1.53	-73.32
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1C[N@H+]2CCN1CCC2	REAL300030173991	1	51	0.0	-73.71	377.12	1.79	-71.92
CC[N@@H+]1CCCC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030174002	0	51	0.0	-69.99	391.11	4.70	-65.29
CC[N@H+]1CCCC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030174002	1	51	0.0	-69.54	389.06	4.63	-64.91
CC(CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030174004	0	50	0.0	-74.12	389.79	4.57	-69.55
CC[N@H+](C)CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030174022	0	44	0.0	-70.03	350.14	3.17	-66.86
CC[N@@H+](C)CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030174022	1	44	0.0	-69.61	349.11	3.27	-66.34
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C12CCC[N@@H+]1CCCC2	REAL300030174054	0	52	0.0	-66.31	380.66	4.36	-61.95
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C12CCC[N@H+]1CCCC2	REAL300030174054	1	52	0.0	-65.31	380.09	4.49	-60.82
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C12CCC[N@@H+]1CC=CC2	REAL300030174064	0	50	0.0	-66.10	372.29	4.39	-61.71
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C12CCC[N@H+]1CC=CC2	REAL300030174064	1	50	0.0	-64.92	373.58	4.36	-60.56
CC[N@H+](CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030174097	0	48	0.0	-66.62	381.25	4.56	-62.06
CC[N@@H+](CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030174097	1	48	0.0	-68.83	373.18	4.52	-64.31
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1([NH+](C)C)CCCSC1	REAL300030174100	0	52	0.0	-77.38	388.91	4.62	-72.76
CC[NH+](CC)CCC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030174122	0	50	0.0	-71.37	390.59	4.49	-66.88
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C=C1CC[NH+](C)CC1	REAL300030174144	0	49	0.0	-68.24	385.48	4.82	-63.42
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[NH+]1CC(C)(C)C1	REAL300030174163	1	48	0.0	-70.59	381.81	4.17	-66.42
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCCC[NH+]1CCCCC1	REAL300030174169	0	57	0.0	-72.26	438.32	6.63	-65.63
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300030174207	0	49	0.0	-70.15	387.93	1.00	-69.15
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@H+]1CCC(C)(O)C1	REAL300030174207	1	49	0.0	-70.80	388.63	0.97	-69.83
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C=CC[NH+](C)C	REAL300030174220	0	45	0.0	-76.00	367.78	3.77	-72.23
CC(OCC[NH+](C)C)C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030174251	0	51	0.0	-71.63	404.16	4.11	-67.52
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCOCC[NH+](C)C	REAL300030174264	0	51	0.0	-73.27	409.46	3.38	-69.89
COCC[N@H+](C)CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030174265	1	48	0.0	-71.93	382.52	2.33	-69.60
COCC[N@@H+](C)CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030174265	1	48	0.0	-70.43	382.75	2.34	-68.09
COCCCC[N@H+](C)CCC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030174303	0	57	0.0	-76.77	449.18	4.34	-72.43
COCCCC[N@@H+](C)CCC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030174303	1	57	0.0	-77.41	449.75	4.38	-73.03
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1([NH+](C)C)CCCC1	REAL300030174331	0	51	0.0	-79.99	374.10	4.29	-75.70
CC(CCC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030174334	0	50	0.0	-70.61	389.93	4.31	-66.30
CC[N@@H+]1CCC1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030174345	1	45	0.0	-70.55	363.15	3.42	-67.13
CC[N@H+]1CCC1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030174345	1	45	0.0	-67.83	355.00	3.24	-64.59
CC(C)[N@@H+]1CCCC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030174361	0	54	0.0	-68.91	407.76	5.22	-63.69
CC(C)[N@H+]1CCCC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030174361	1	54	0.0	-68.95	405.72	5.15	-63.80
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCN(C2=[NH+]C=CN2C)C1	REAL300030174362	1	52	0.0	-65.94	414.42	4.84	-61.10
CC(C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300030174369	0	54	0.0	-73.02	425.19	6.46	-66.56
CC(C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300030174369	1	54	0.0	-73.47	424.40	6.45	-67.02
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@@H+]1CCCC1CO	REAL300030174378	0	49	0.0	-70.10	386.02	1.26	-68.84
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@H+]1CCCC1CO	REAL300030174378	1	49	0.0	-69.74	387.07	1.13	-68.61
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC2CCCC[N@@H+]2C1	REAL300030174411	0	52	0.0	-70.63	398.43	5.23	-65.40
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC2CCCC[N@H+]2C1	REAL300030174411	1	52	0.0	-68.66	395.58	5.21	-63.45
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1(C)CC[NH+](C)CC1	REAL300030174422	0	51	0.0	-66.84	380.77	4.09	-62.75
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC(C[NH+](C)C)=CN1	REAL300030174429	0	49	0.0	-76.20	395.30	4.09	-72.11
CC(C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300030174451	0	52	0.0	-72.21	392.93	1.20	-71.01
C#CC1(O)CC[NH+](C(C)C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030174460	0	54	0.0	-69.81	424.41	2.31	-67.50
C=CCC(C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030174472	0	48	0.0	-68.37	373.83	3.91	-64.46
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C12CCC([NH+](C)C)(CC1)CC2	REAL300030174485	0	58	0.0	-79.79	412.86	5.33	-74.46
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300030174493	0	51	0.0	-68.50	396.56	4.54	-63.96
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC(C)(C)C[N@H+]1C	REAL300030174493	1	51	0.0	-72.08	390.05	4.26	-67.82
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCCCC[NH+](C)C	REAL300030174498	0	53	0.0	-73.16	419.50	5.49	-67.67
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[NH+]1CC2CC2C1	REAL300030174510	0	46	0.0	-70.91	366.71	4.47	-66.44
CC1C[N@@H+](C2CCC2C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CCO1	REAL300030174531	0	56	0.0	-72.70	433.53	4.40	-68.30
CC1C[N@H+](C2CCC2C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CCO1	REAL300030174531	1	56	0.0	-70.49	435.91	4.37	-66.12
CC1C[N@@H+]2CCN1C(C(=O)N(C)CC1CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030174559	0	51	0.0	-72.45	381.77	1.29	-71.16
CC1C[N@H+]2CCN1C(C(=O)N(C)CC1CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030174559	1	51	0.0	-80.35	381.63	1.26	-79.09
CCCC(C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030174561	0	50	0.0	-69.82	381.87	4.20	-65.62
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C(C)(C)[NH+](C)C	REAL300030174567	0	47	0.0	-73.24	352.75	3.26	-69.98
CC[NH+](CC)CCSCC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030174616	0	54	0.0	-75.91	430.79	5.62	-70.29
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCCC[N@@H+]1C	REAL300030174628	0	48	0.0	-69.35	373.38	4.13	-65.22
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCCC[N@H+]1C	REAL300030174628	1	48	0.0	-66.71	372.52	4.07	-62.64
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1=CC[N@H+](C)CC1	REAL300030174690	0	49	0.0	-68.14	391.79	4.90	-63.24
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1=CC[N@@H+](C)CC1	REAL300030174690	1	49	0.0	-69.75	392.16	4.90	-64.85
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1([NH+]2CCCC2)CC1	REAL300030174703	0	52	0.0	-67.73	396.53	5.37	-62.36
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1(C[NH+]2CCCC2)CCCC1	REAL300030174730	0	58	0.0	-79.30	421.61	6.20	-73.10
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C(C)(C)C1CCC[N@H+](C)C1	REAL300030174770	0	57	0.0	-72.79	413.05	5.16	-67.63
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C(C)(C)C1CCC[N@@H+](C)C1	REAL300030174770	1	57	0.0	-72.79	413.05	5.16	-67.63
CN(C)CC1=CC=C(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030174775	0	48	0.0	-83.01	393.14	4.42	-78.59
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300030174775	1	48	0.0	-83.01	393.14	4.42	-78.59
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C=CC[NH+]1CCCC1	REAL300030174802	0	49	0.0	-74.68	394.12	4.97	-69.71
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC[NH+](C2CC2)CC1	REAL300030174834	0	52	0.0	-77.73	394.83	5.03	-72.70
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300030174859	0	48	0.0	-70.95	381.14	4.41	-66.54
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300030174859	1	48	0.0	-76.36	383.30	4.31	-72.05
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1([NH+](C)C)CC1	REAL300030174861	0	45	0.0	-74.59	354.48	3.26	-71.33
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC[NH+]1CCCC1	REAL300030174865	0	48	0.0	-71.45	380.10	4.36	-67.09
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC(=O)N(C2C[NH+](C)C2)C1	REAL300030174876	1	53	0.0	-74.23	418.14	3.11	-71.12
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1C[NH+]2CCN1CC2	REAL300030174927	0	48	0.0	-73.58	364.31	0.70	-72.88
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C12CC(C1)C[N@@H+]2C	REAL300030174938	0	46	0.0	-77.30	357.79	3.75	-73.55
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C12CC(C1)C[N@H+]2C	REAL300030174938	1	46	0.0	-73.90	360.10	3.52	-70.38
CC1=C(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C=NN1CC[NH+](C)C	REAL300030174954	0	54	0.0	-83.05	430.63	4.18	-78.87
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@@H+]1CC2CCC1C2	REAL300030174957	0	49	0.0	-69.35	379.14	4.61	-64.74
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@H+]1CC2CCC1C2	REAL300030174957	1	49	0.0	-67.02	375.69	4.50	-62.52
CC(C)[NH+]1CCC(CC(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030174974	0	57	0.0	-68.73	426.85	5.89	-62.84
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C=C1C[NH+]2CCC1CC2	REAL300030175029	0	50	0.0	-68.87	388.35	4.94	-63.93
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@@H+]1CC2C=CC1C2	REAL300030175042	1	47	0.0	-67.51	370.21	4.45	-63.06
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@H+]1CC2C=CC1C2	REAL300030175042	1	47	0.0	-65.58	371.17	4.48	-61.10
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C(C[NH+](C)C)C1=CC=CC=C1	REAL300030175085	0	54	0.0	-70.72	429.87	6.49	-64.23
CC[NH+]1CCN(CC(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030175088	0	53	0.0	-67.08	408.14	2.76	-64.32
CC(C[NH+](C)C)C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030175119	0	47	0.0	-73.51	367.80	3.60	-69.91
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1CCCC[N@@H+]1C	REAL300030175231	0	51	0.0	-73.30	391.13	4.83	-68.47
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1CCCC[N@H+]1C	REAL300030175231	1	51	0.0	-74.15	392.35	4.76	-69.39
CC1=C2C=C(C(=O)N(C)CC3CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030175254	1	46	0.0	-74.77	389.69	6.59	-68.18
CC(C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300030175255	0	48	0.0	-74.81	375.35	3.90	-70.91
CC1CC[N@@H+]1CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030175259	1	45	0.0	-69.57	362.67	3.67	-65.90
CC1CC[N@H+]1CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030175259	1	45	0.0	-67.77	357.15	3.41	-64.36
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC(O)C[NH+](C)C	REAL300030175264	0	48	0.0	-75.03	385.23	1.59	-73.44
CC1C[N@H+](C)CC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030175305	1	49	0.0	-88.19	377.94	3.15	-85.04
CC1C[N@@H+](C)CC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030175305	1	49	0.0	-78.05	380.58	3.50	-74.55
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC[NH+]1CCC(O)CC1	REAL300030175319	0	52	0.0	-76.13	408.07	1.66	-74.47
CCC[N@@H+]1CCCCC1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030175322	0	54	0.0	-71.68	404.79	5.25	-66.43
CCC[N@H+]1CCCCC1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030175322	1	54	0.0	-71.37	405.18	5.20	-66.17
CC[NH+]1CCN(CCC(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030175326	0	56	0.0	-74.59	430.52	3.17	-71.42
CCN1CC[NH+](CCC(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030175326	1	56	0.0	-73.46	431.59	3.24	-70.22
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300030175329	0	55	0.0	-71.29	397.21	5.10	-66.19
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300030175329	1	55	0.0	-66.36	401.21	5.79	-60.57
CC(C)C[NH+]1CCC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030175383	0	57	0.0	-74.50	430.37	6.10	-68.40
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CN1CCC([NH+](C)C)CC1	REAL300030175416	0	56	0.0	-68.63	425.81	3.20	-65.43
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300030175441	0	48	0.0	-68.48	380.29	4.32	-64.16
CC(CC[NH+](C)C)C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030175451	0	50	0.0	-73.24	389.47	4.22	-69.02
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300030175489	0	52	0.0	-69.62	403.49	2.02	-67.60
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O	REAL300030175489	1	52	0.0	-66.03	403.03	1.91	-64.12
C#CC[N@H+]1CCCCC1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030175499	1	50	0.0	-67.19	385.06	4.89	-62.30
C#CC[N@@H+]1CCCCC1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030175499	1	50	0.0	-68.94	396.95	5.30	-63.64
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C(CC1=CC=CC=C1)[NH+](C)C	REAL300030175505	0	54	0.0	-72.56	417.07	6.33	-66.23
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CN1CC[NH+](C)CC1	REAL300030175507	1	50	0.0	-67.71	390.40	2.08	-65.63
CC[NH+]1CCN(CC(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030175520	0	53	0.0	-67.08	408.14	2.76	-64.32
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CSC(N)=[NH2+]	REAL300030175553	0	39	0.0	-73.71	341.17	-0.52	-74.23
CC[N@@H+]1CCOCC1CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030175607	0	52	0.0	-75.14	400.29	3.12	-72.02
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1(CC[NH+](C)C)CCCC1	REAL300030175629	0	57	0.0	-83.70	424.49	5.59	-78.11
CC1CCCC(C)[NH+]1CCC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030175631	0	57	0.0	-68.84	423.21	5.67	-63.17
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCC([NH+](C)C)CC1	REAL300030175634	0	54	0.0	-55.15	400.27	5.09	-50.06
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1(CC[NH+](C)C)CC1	REAL300030175635	0	51	0.0	-68.91	404.77	4.93	-63.98
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300030175639	0	54	0.0	-72.13	398.75	5.02	-67.11
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1CC=CC[N@@H+]1C	REAL300030175640	0	49	0.0	-60.76	377.97	4.66	-56.10
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1CC=CC[N@H+]1C	REAL300030175640	1	49	0.0	-60.76	377.97	4.66	-56.10
C[C@@H](OCC[NH+](C)C)C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030175677	0	51	0.0	-72.24	404.92	4.23	-68.01
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC2CCC(C1)[NH+]2C	REAL300030175721	0	52	0.0	-72.50	369.89	4.58	-67.92
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1(C2(O)CC[NH+](C)CC2)CC1	REAL300030175849	0	56	0.0	-68.01	420.04	2.93	-65.08
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1(CC[NH+]2CCCCC2)CC1	REAL300030175878	0	58	0.0	-68.57	446.83	6.80	-61.77
CC(C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300030175904	1	49	0.0	-72.96	383.36	4.23	-68.73
CCC1C[NH+](CC(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030175907	0	48	0.0	-71.93	385.65	4.38	-67.55
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1C[NH+](C2CCOCC2)C1	REAL300030175909	0	53	0.0	-75.37	415.02	3.43	-71.94
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1([NH+]2CCCC2)CCC1	REAL300030175911	0	52	0.0	-69.52	386.26	4.75	-64.77
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300030175923	0	45	0.0	-66.74	349.90	3.11	-63.63
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300030175923	1	45	0.0	-67.74	357.90	3.40	-64.34
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC[N@@H+]1CCC(F)C1	REAL300030175933	0	48	0.0	-76.18	385.98	4.46	-71.72
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC[N@H+]1CCC(F)C1	REAL300030175933	1	48	0.0	-76.20	386.84	4.37	-71.83
COC1C[N@H+](C)C(C)(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030175944	0	52	0.0	-65.08	390.79	1.99	-63.09
COC1C[N@@H+](C)C(C)(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030175944	1	52	0.0	-68.83	392.67	1.98	-66.85
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC[NH+]1CCCCCC1	REAL300030175958	0	54	0.0	-73.74	407.00	5.21	-68.53
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[NH+]1CCCCC1	REAL300030175962	0	48	0.0	-70.38	373.22	4.48	-65.90
CC1C(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030175972	0	48	0.0	-67.24	373.46	3.78	-63.46
CC1C(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030175972	1	48	0.0	-74.11	367.40	3.91	-70.20
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCC1CCCC[N@@H+]1C	REAL300030175975	0	54	0.0	-71.44	414.31	5.47	-65.97
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCC1CCCC[N@H+]1C	REAL300030175975	1	54	0.0	-69.97	413.79	5.50	-64.47
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC[N@@H+]2CCOCC12	REAL300030176020	0	50	0.0	-77.82	386.50	2.75	-75.07
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC[N@H+]2CCOCC12	REAL300030176020	1	50	0.0	-70.29	383.04	2.71	-67.58
CC1=[NH+]C=C2C=CC(C(=O)N(C)CC3CN(C(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300030176029	0	46	0.0	-68.82	380.90	5.54	-63.28
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1COCC[N@@H+]1C	REAL300030176052	1	49	0.0	-70.41	376.12	2.23	-68.18
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1COCC[N@H+]1C	REAL300030176052	1	49	0.0	-79.24	382.08	2.46	-76.78
CC1=C(C)[NH+]=C(CCC(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030176066	1	49	0.0	-67.09	403.22	3.86	-63.23
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC(CC[NH+](C)C)=CC=C1	REAL300030176079	0	54	0.0	-75.51	429.76	6.49	-69.02
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300030176084	1	52	0.0	-69.35	414.88	6.27	-63.08
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC[N@H+]1CC1=CC=CC=C1	REAL300030176084	1	52	0.0	-75.24	422.50	6.55	-68.69
CC(C)C[N@@H+]1CCCC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030176088	0	57	0.0	-69.74	430.01	6.13	-63.61
CC(C)C[N@H+]1CCCC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030176088	1	57	0.0	-69.78	428.00	6.04	-63.74
CN(CC1CN(C(=O)C2CCC[N@@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030176247	0	45	0.0	-59.99	353.03	3.43	-56.56
CN(CC1CN(C(=O)C2CCC[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030176247	1	45	0.0	-60.47	350.94	3.14	-57.33
CN(CC1CN(C(=O)C2C[N@H+](C)CCO2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030176272	1	46	0.0	-62.91	357.47	2.79	-60.12
CN(CC1CN(C(=O)C2C[N@@H+](C)CCO2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030176272	1	46	0.0	-70.23	358.22	2.74	-67.49
CC1=[NH+]C=CN1CCCC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030176445	1	49	0.0	-62.64	402.18	5.56	-57.08
CN(CC1CN(C(=O)CCCC[NH+]2CCOCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030176449	1	55	0.0	-69.04	428.82	4.25	-64.79
CN(CC1CN(C(=O)C2=CC=C(C[NH+](C)C)C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030176455	0	51	0.0	-70.94	404.29	5.66	-65.28
CN(CC1CN(C(=O)CC[NH+]2CCOCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030176456	1	49	0.0	-66.12	386.44	2.55	-63.57
CN(CC1CN(C(=O)C(C)(C2=CC=CC=C2)[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030176478	0	54	0.0	-59.45	406.83	6.56	-52.89
CCC[NH+](CCC)CCCC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030176486	0	59	0.0	-65.39	448.54	6.58	-58.81
CC[N@H+](C)C(C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300030176487	0	54	0.0	-58.34	422.88	6.56	-51.78
CC[N@@H+](C)C(C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300030176487	1	54	0.0	-66.24	425.37	6.71	-59.53
CN(CC1CN(C(=O)C23CCC[NH+]2CCC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030176508	0	49	0.0	-58.20	371.54	4.22	-53.98
CN(CC1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030176528	1	43	0.0	-67.65	358.30	5.67	-61.98
CN(CC1CN(C(=O)C2CCCC([NH+](C)C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030176618	0	54	0.0	-73.15	408.65	5.27	-67.88
CN(CC1CN(C(=O)CC2CC[N@H+](C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030176625	0	48	0.0	-75.21	378.55	4.27	-70.94
CN(CC1CN(C(=O)CC2CC[N@@H+](C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030176625	1	48	0.0	-75.14	378.99	4.15	-70.99
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030176639	0	47	0.0	-82.02	381.02	2.83	-79.19
CCC(C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030176645	0	47	0.0	-59.96	359.21	3.45	-56.51
CN(CC1CN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030176655	1	46	0.0	-84.03	389.85	4.06	-79.97
CC1CC2CCC(C(=O)N3CC(CN(C)C(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300030176712	0	55	0.0	-76.10	421.01	5.84	-70.26
CC1CC2CCC(C(=O)N3CC(CN(C)C(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300030176712	1	55	0.0	-70.87	413.10	5.93	-64.94
CN(CC1CN(C(=O)CCCC[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030176752	0	50	0.0	-67.97	396.54	4.68	-63.29
CC(C)C(C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030176779	0	50	0.0	-60.01	377.86	4.49	-55.52
CCC[N@H+](C)CCC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030176781	0	50	0.0	-64.64	392.77	4.50	-60.14
CCC[N@@H+](C)CCC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030176781	1	50	0.0	-63.76	392.81	4.62	-59.14
CCC[N@H+](C)CC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030176788	0	47	0.0	-61.51	370.41	3.95	-57.56
CCC[N@@H+](C)CC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030176788	1	47	0.0	-72.02	371.44	4.00	-68.02
CN(CC1CN(C(=O)C23CC[N@H+](C2)CCC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030176821	0	49	0.0	-75.92	369.90	3.57	-72.35
CN(CC1CN(C(=O)C23CC[N@@H+](C2)CCC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030176821	1	49	0.0	-73.79	368.63	3.59	-70.20
CCCCCC[N@H+](C)CC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030176877	0	56	0.0	-72.67	435.95	6.41	-66.26
CCCCCC[N@@H+](C)CC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030176877	1	56	0.0	-61.92	434.28	6.39	-55.53
CC[NH+](CC)C(C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300030176889	0	56	0.0	-57.67	411.08	5.96	-51.71
CC1CC[NH+](CC(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030176937	0	51	0.0	-60.31	393.14	5.12	-55.19
CN(CC1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030176971	1	46	0.0	-82.03	386.73	3.68	-78.35
CN(CC1CN(C(=O)COC2CC[NH+](C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030176981	0	52	0.0	-71.04	410.47	4.79	-66.25
CN(CC1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030177057	0	52	0.0	-76.35	400.00	5.31	-71.04
CN(CC1CN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030177057	1	52	0.0	-60.63	398.03	5.26	-55.37
CN(CC1CN(C(=O)C2(C[NH+](C)C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030177078	0	48	0.0	-82.56	371.71	4.19	-78.37
CC1=[NH+]C=C2CCC(C(=O)N3CC(CN(C)C(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300030177079	1	50	0.0	-67.23	401.35	5.26	-61.97
CC(C)[NH+]1CCC(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030177092	0	54	0.0	-63.72	407.84	5.19	-58.53
CC[N@H+](C)CCC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030177132	0	47	0.0	-64.10	371.27	3.76	-60.34
CC[N@@H+](C)CCC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030177132	1	47	0.0	-64.11	371.27	3.76	-60.35
CN(CC1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030177175	0	54	0.0	-73.19	397.01	5.56	-67.63
CN(CC1CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030177178	0	58	0.0	-63.06	434.82	6.35	-56.71
CN(CC1CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030177178	1	58	0.0	-62.56	432.01	6.26	-56.30
CN(CC1CN(C(=O)C2C[NH+]3CCC2CC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030177196	0	49	0.0	-64.70	371.14	4.35	-60.35
CN(CC1CN(C(=O)C2CC[NH+](C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030177301	0	48	0.0	-66.08	372.55	4.08	-62.00
CC(C)[C@H](C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030177324	0	50	0.0	-69.16	378.87	4.52	-64.64
CN(CC1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030177432	0	55	0.0	-66.49	424.49	6.22	-60.27
CC[NH+](CC)CC(F)C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030177486	0	50	0.0	-62.49	389.37	4.21	-58.28
CN(CC1CN(C(=O)C2=C(C[NH+](C)C)C=CS2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030177487	0	48	0.0	-64.10	393.61	4.90	-59.20
CC(C)C[N@@H+]1CCC(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030177537	0	54	0.0	-74.53	417.38	5.51	-69.02
CC(C)C[N@H+]1CCC(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030177537	1	54	0.0	-62.29	411.19	5.46	-56.83
CN(CC1CN(C(=O)C2([NH+](C)C)CCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030177541	0	48	0.0	-61.66	363.55	3.80	-57.86
CCC(C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030177583	0	53	0.0	-56.88	394.29	4.55	-52.33
CC1CCC[N@@H+]1CC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030177616	0	48	0.0	-58.21	368.94	3.99	-54.22
CC1CCC[N@H+]1CC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030177616	1	48	0.0	-58.46	376.73	4.25	-54.21
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030177729	1	52	0.0	-58.82	416.63	5.70	-53.12
CC(C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300030177737	0	54	0.0	-57.61	401.19	5.05	-52.56
CC(C)[N@@H+]1CCCCC1C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030177740	0	54	0.0	-56.57	403.36	5.01	-51.56
CC(C)[N@H+]1CCCCC1C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030177740	1	54	0.0	-66.57	397.31	4.91	-61.66
CC(C)[N@@H+]1CCCC1C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030177776	0	51	0.0	-57.79	381.85	4.97	-52.82
CC(C)[N@H+]1CCCC1C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030177776	1	51	0.0	-57.96	381.10	5.12	-52.84
CN(CC1CN(C(=O)C2CCC[N@@H+]2C2CCOCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030177785	0	56	0.0	-60.24	416.29	4.56	-55.68
CN(CC1CN(C(=O)C2CCC[N@H+]2C2CCOCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030177785	1	56	0.0	-60.25	415.17	4.67	-55.58
CN(CC1CN(C(=O)C(CN2C=CC=N2)[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030177787	1	51	0.0	-61.97	405.18	3.84	-58.13
CC(C)[N@@H+]1CCCC1CC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030177794	0	54	0.0	-56.74	399.52	5.21	-51.53
CC(C)[N@H+]1CCCC1CC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030177794	1	54	0.0	-58.18	401.41	4.65	-53.53
CN(CC1CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030177795	0	55	0.0	-58.42	411.78	5.98	-52.44
CN(CC1CN(C(=O)C2CCC[N@H+]2C2CCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030177795	1	55	0.0	-58.88	410.28	6.44	-52.44
CC(C)[C@@H](C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030177825	0	50	0.0	-73.00	382.55	3.99	-69.01
CC1CC[N@H+](CC(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030177863	0	48	0.0	-59.80	377.79	4.39	-55.41
CC1CC[N@@H+](CC(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030177863	1	48	0.0	-70.67	377.55	4.26	-66.41
CN(CC1CN(C(=O)C2(F)CC[N@@H+](C(C)(C)C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030177864	0	54	0.0	-61.45	410.43	4.86	-56.59
CN(CC1CN(C(=O)C2(F)CC[N@H+](C(C)(C)C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030177864	1	54	0.0	-61.18	412.31	4.89	-56.29
CC1=[NH+]C=C2CC(C(=O)N3CC(CN(C)C(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300030177866	1	50	0.0	-73.02	399.18	5.22	-67.80
CN(CC1CN(C(=O)C2=CC=C(CC[NH+](C)C)C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030177868	0	54	0.0	-72.61	426.79	6.50	-66.11
CN(CC1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030177870	0	51	0.0	-59.91	395.84	4.86	-55.05
CN(CC1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030177870	1	51	0.0	-59.70	395.16	4.85	-54.85
CN(CC1CN(C(=O)C[N@H+](C)CC(C)(C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030177871	0	53	0.0	-60.19	400.43	5.16	-55.03
CN(CC1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030177871	1	53	0.0	-70.75	399.65	5.07	-65.68
CN(CC1CN(C(=O)C[N@H+](C)CCC2=CC=CC=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030177872	0	54	0.0	-65.05	429.69	7.07	-57.98
CN(CC1CN(C(=O)C[N@@H+](C)CCC2=CC=CC=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030177872	1	54	0.0	-75.35	431.36	7.10	-68.25
CC[C@@H](C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030177884	0	47	0.0	-72.12	363.67	3.73	-68.39
CC(COCC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300030177892	0	55	0.0	-63.73	429.81	5.33	-58.40
CN(CC1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C2=CC=CC=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030177906	0	55	0.0	-74.44	432.96	6.79	-67.65
CN(CC1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C2=CC=CC=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030177906	1	55	0.0	-67.90	431.48	6.78	-61.12
CN(CC1CN(C(=O)CCN(C)C2=CC=[NH+]C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030178079	0	50	0.0	-62.84	405.28	4.31	-58.53
CC1=[NH+]C=CN1CC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030178221	1	43	0.0	-68.97	361.65	4.19	-64.78
CC(C[NH+]1CCOCC1)C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030178223	0	52	0.0	-80.62	403.33	3.24	-77.38
CN(CC1CN(C(=O)CCC[NH+]2CCCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030178246	0	54	0.0	-65.23	416.67	5.77	-59.46
CN(CC1CN(C(=O)C2=NOC(C[NH+](C)C)=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030178272	1	47	0.0	-80.95	389.37	3.65	-77.30
CC1=C(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300030178274	0	46	0.0	-79.01	384.44	6.17	-72.84
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030178338	1	49	0.0	-58.42	396.21	5.37	-53.05
CN(CC1CN(C(=O)C2CCCC3CCC[N@@H+]32)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030178403	0	52	0.0	-64.07	398.67	5.39	-58.68
CN(CC1CN(C(=O)C2CCCC3CCC[N@H+]32)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030178403	1	52	0.0	-67.47	384.41	4.82	-62.65
CC[N@@H+]1CCOC(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030178452	1	49	0.0	-84.66	385.14	3.65	-81.01
CC[N@H+]1CCOC(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030178452	1	49	0.0	-62.68	377.34	3.44	-59.24
CN(CC1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030178546	0	43	0.0	-66.30	358.01	5.66	-60.64
CC1=C[NH+]=CN1CC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030178551	1	43	0.0	-62.42	360.31	4.98	-57.44
CN(CC1CN(C(=O)C2=CN(CC[NH+](C)C)N=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030178557	0	51	0.0	-81.97	411.74	3.72	-78.25
CN(CC1CN(C(=O)C2=NN(CC[NH+](C)C)C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030178574	0	51	0.0	-83.90	414.83	4.12	-79.78
C[C@@H]1[C@H](C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030178582	0	48	0.0	-76.31	369.58	3.88	-72.43
C[C@@H]1[C@H](C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030178582	1	48	0.0	-63.44	375.57	3.81	-59.63
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030178586	1	52	0.0	-59.02	417.13	5.74	-53.28
CC[C@@H]1[C@@H](C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030178589	0	51	0.0	-76.31	387.56	4.21	-72.10
CC[C@@H]1[C@@H](C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030178589	1	51	0.0	-62.37	388.30	4.61	-57.76
CC1CCC(C)[NH+]1CC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030178621	0	51	0.0	-57.09	389.21	4.47	-52.62
CN(CC1CN(C(=O)CCC[NH+]2CCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030178632	0	51	0.0	-65.28	399.40	4.97	-60.31
CN(CC1CN(C(=O)C2=CC(C[NH+](C)C)=CC=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030178633	0	51	0.0	-77.82	405.88	5.62	-72.20
C#CC[NH+]1CCC(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030178644	0	50	0.0	-67.61	398.69	5.20	-62.41
CN(CC1CN(C(=O)CC[NH+]2CCCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030178646	0	51	0.0	-63.31	395.18	4.97	-58.34
CN(CC1CN(C(=O)C2=CC=CC=C2C[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030178651	0	51	0.0	-62.58	403.16	5.71	-56.87
CC[N@@H+]1CCCCC1C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030178663	0	51	0.0	-58.78	379.19	4.38	-54.40
CC[N@H+]1CCCCC1C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030178663	1	51	0.0	-70.10	393.14	4.69	-65.41
CC(C)C(C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300030178664	0	57	0.0	-66.80	420.63	6.52	-60.28
CN(CC1CN(C(=O)C(C2=CC=CC=C2)[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030178668	1	51	0.0	-59.93	405.87	6.02	-53.91
CN(CC1CN(C(=O)CN2C=[NH+]C3=C2CCCC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030178678	1	50	0.0	-60.98	402.17	6.70	-54.28
CN(CC1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030178727	0	57	0.0	-63.69	408.92	6.06	-57.63
CN(CC1CN(C(=O)C2=CC=CC=C2CC[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030178728	0	54	0.0	-64.52	425.98	6.46	-58.06
CN(CC1CN(C(=O)CC[N@H+](C)C2CCCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030178735	0	57	0.0	-64.11	429.59	6.14	-57.97
CN(CC1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030178735	1	57	0.0	-64.03	429.58	6.15	-57.88
CN(CC1CN(C(=O)CC2([NH+](C)C)CCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030178739	0	54	0.0	-75.63	396.05	5.02	-70.61
CN(CC1CN(C(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030178756	1	52	0.0	-72.66	409.26	3.39	-69.27
CN(CC1CN(C(=O)C2=NNC(C3CCC[N@H+]3C)=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030178756	1	52	0.0	-72.87	415.61	3.63	-69.24
CN(CC1CN(C(=O)C[N@H+](C)C2CCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179031	0	48	0.0	-59.27	376.79	4.63	-54.64
CN(CC1CN(C(=O)C[N@@H+](C)C2CCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179031	1	48	0.0	-69.19	378.32	4.65	-64.54
CC(C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300030179073	0	54	0.0	-55.81	403.45	4.96	-50.85
CC[NH+](CC)CC1=CC=C(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030179090	0	54	0.0	-76.10	430.26	5.75	-70.35
CN(CC1CN(C(=O)CCCC[NH+]2CCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179095	0	54	0.0	-66.55	422.51	5.86	-60.69
CN(CC1CN(C(=O)C[N@H+](C)CC2=CC=CC=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179098	1	51	0.0	-75.48	408.93	6.26	-69.22
CN(CC1CN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179098	1	51	0.0	-63.67	407.21	6.23	-57.44
CN(CC1CN(C(=O)C2CC[NH+](C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179116	0	48	0.0	-66.08	372.55	4.08	-62.00
CN(CC1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179202	0	45	0.0	-69.34	357.64	3.61	-65.73
CN(CC1CN(C(=O)[C@H]2CCC[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179202	1	45	0.0	-60.20	350.44	3.12	-57.08
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030179225	1	47	0.0	-58.04	376.38	4.33	-53.71
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030179225	1	47	0.0	-59.42	382.32	4.80	-54.62
CN(CC1CN(C(=O)CCC2CCC[N@@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179237	0	51	0.0	-63.58	395.59	4.91	-58.67
CN(CC1CN(C(=O)CCC2CCC[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179237	1	51	0.0	-74.21	399.69	5.15	-69.06
CN(CC1CN(C(=O)C23CCC[NH+](CCC2)C3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179254	0	52	0.0	-65.98	381.22	4.39	-61.59
CN(CC1CN(C(=O)C2CCC3CCCC[N@@H+]32)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179262	0	52	0.0	-66.85	399.61	5.46	-61.39
CN(CC1CN(C(=O)C2CCC3CCCC[N@H+]32)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179262	1	52	0.0	-57.01	392.14	5.13	-51.88
CCC[N@@H+]1CCCC(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030179380	0	54	0.0	-63.22	413.26	5.38	-57.84
CCC[N@H+]1CCCC(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030179380	1	54	0.0	-63.32	411.03	5.38	-57.94
CN(CC1CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179393	0	58	0.0	-55.87	427.56	6.39	-49.48
CN(CC1CN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179393	1	58	0.0	-65.77	429.24	6.43	-59.34
CC(C)[N@@H+]1CCOC(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030179406	0	52	0.0	-64.21	400.69	4.16	-60.05
CC(C)[N@H+]1CCOC(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030179406	1	52	0.0	-77.50	400.52	4.08	-73.42
CN(CC1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179430	0	55	0.0	-62.64	407.16	3.20	-59.44
CN(CC1CN(C(=O)C2CCCC[N@@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179453	0	48	0.0	-69.53	363.15	3.77	-65.76
CN(CC1CN(C(=O)C2CCCC[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179453	1	48	0.0	-59.88	359.53	3.76	-56.12
CC(C)C[N@@H+]1CCCC1C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030179491	0	54	0.0	-58.43	413.15	5.59	-52.84
CC(C)C[N@H+]1CCCC1C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030179491	1	54	0.0	-58.84	409.94	5.16	-53.68
CN(CC1CN(C(=O)C[NH+]2CCC(CO)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179514	0	52	0.0	-63.03	403.97	1.81	-61.22
CN(CC1CN(C(=O)C=C2CC3CCC(C2)[NH+]3C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179563	0	53	0.0	-73.12	405.85	5.54	-67.58
CC1C(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030179585	0	48	0.0	-62.34	375.47	4.09	-58.25
CC1C(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030179585	1	48	0.0	-63.82	368.03	3.88	-59.94
CN(CC1CN(C(=O)CCC2CCCC[N@@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179589	0	54	0.0	-74.72	406.91	5.31	-69.41
CN(CC1CN(C(=O)CCC2CCCC[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179589	1	54	0.0	-63.82	405.79	5.29	-58.53
CN(CC1CN(C(=O)C2=CC3=C(CCC3)[NH+]=C2N)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179636	1	48	0.0	-65.92	384.25	3.36	-62.56
CN(CC1CN(C(=O)C2CC[N@@H+]2C(C)(C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179734	0	51	0.0	-58.81	378.22	3.51	-55.30
CN(CC1CN(C(=O)C2CC[N@H+]2C(C)(C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179734	1	51	0.0	-57.56	392.83	4.32	-53.24
CN(CC1CN(C(=O)C2CCN(C3=CC=[NH+]C=C3)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179756	0	51	0.0	-75.73	406.27	3.07	-72.66
C[C@@H](C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030179762	0	44	0.0	-71.97	350.78	3.00	-68.97
CN(CC1CN(C(=O)C2=CC=NC(C[NH+](C)C)=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179785	1	50	0.0	-73.80	401.83	4.19	-69.61
C=CCC(C)(C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030179791	0	51	0.0	-60.64	380.22	4.80	-55.84
CC[NH+](CC)CCSCC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030179830	0	54	0.0	-67.87	428.67	5.68	-62.19
CN(CC1CN(C(=O)C2=C(N)C3=CC=CC=C3[NH+]=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179831	1	47	0.0	-69.32	382.82	2.83	-66.49
CN(CC1CN(C(=O)CC[NH+]2CCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179836	0	48	0.0	-63.74	378.77	4.22	-59.52
CN(CC1CN(C(=O)C[N@H+](C)CCO)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179846	1	45	0.0	-61.65	358.64	0.07	-61.58
CN(CC1CN(C(=O)C[N@@H+](C)CCO)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179846	1	45	0.0	-71.66	360.30	0.09	-71.57
CN(CC1CN(C(=O)C2C[N@@H+]3CCN2CCC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179897	0	51	0.0	-82.33	380.96	1.85	-80.48
CN(CC1CN(C(=O)C2C[N@H+]3CCN2CCC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179897	1	51	0.0	-67.20	380.01	1.86	-65.34
CC(C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300030179945	1	49	0.0	-60.76	384.18	4.36	-56.40
CN(CC1CN(C(=O)CC2=CC[N@H+](C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180006	0	49	0.0	-67.06	390.86	4.99	-62.07
CN(CC1CN(C(=O)CC2=CC[N@@H+](C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180006	1	49	0.0	-72.17	391.30	4.91	-67.26
CN(CC1CN(C(=O)C2CC(=O)N(C3C[NH+](C)C3)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180020	1	53	0.0	-75.86	421.12	3.27	-72.59
CN(CC1CN(C(=O)C(O)CC[S+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180028	0	47	0.0	-65.18	394.05	2.06	-63.12
CN(CC1CN(C(=O)C2(C)CC(O)C[N@@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180062	0	49	0.0	-69.43	373.73	0.17	-69.26
CN(CC1CN(C(=O)C2(C)CC(O)C[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180062	1	49	0.0	-62.29	373.49	0.55	-61.74
CN(CC1CN(C(=O)C2CN(C)CC[N@H+](C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180081	0	53	0.0	-62.29	400.74	2.55	-59.74
CN(CC1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180081	1	53	0.0	-76.33	403.92	2.21	-74.12
CC(C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300030180082	0	52	0.0	-60.64	403.55	1.47	-59.17
CC(C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300030180082	1	52	0.0	-58.55	402.11	1.54	-57.01
CN(CC1CN(C(=O)C2=C(N)[NH+]=CC3=C2CCC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180120	0	48	0.0	-72.91	392.74	3.38	-69.53
CN(CC1CN(C(=O)CC2(O)CCC[N@H+](C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180130	0	52	0.0	-73.61	390.69	2.87	-70.74
CN(CC1CN(C(=O)CC2(O)CCC[N@@H+](C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180130	1	52	0.0	-72.58	399.52	3.13	-69.45
CC1C[NH+](CC(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030180137	1	45	0.0	-72.04	363.48	3.69	-68.35
CC[N@@H+]1CCCC(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030180146	0	51	0.0	-59.46	384.83	4.80	-54.66
CC[N@H+]1CCCC(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030180146	1	51	0.0	-68.88	385.06	4.89	-63.99
CN(CC1CN(C(=O)CC2=CC=C[NH+]=C2N)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180163	0	44	0.0	-68.74	366.45	2.39	-66.35
CN(CC1CN(C(=O)C2CCC[N@@H+]2C2CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180179	0	49	0.0	-67.54	382.07	4.38	-63.16
CN(CC1CN(C(=O)C2CCC[N@H+]2C2CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180179	1	49	0.0	-58.52	381.38	4.46	-54.06
CC1C[N@@H+](C2CCC2C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CCO1	REAL300030180216	0	56	0.0	-58.93	423.93	4.68	-54.25
CC1C[N@H+](C2CCC2C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CCO1	REAL300030180216	1	56	0.0	-59.03	430.75	4.72	-54.31
CN(CC1CN(C(=O)C2=CC=C(C[NH+]3CCCC3)O2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180239	0	52	0.0	-78.73	420.11	5.44	-73.29
CN(CC1CN(C(=O)C=CC[NH+]2CCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180246	0	49	0.0	-66.83	391.62	4.80	-62.03
CN(CC1CN(C(=O)C2CC[NH+](C3CC3)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180281	0	52	0.0	-63.31	397.36	5.28	-58.03
CC[N@H+](C)CC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030180344	0	44	0.0	-60.69	348.28	3.30	-57.39
CN(CC1CN(C(=O)CN2CC3C=CC2C3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180429	0	47	0.0	-58.86	370.86	4.52	-54.34
CN(CC1CN(C(=O)C[N@@H+]2CC3C=CC2C3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180429	1	47	0.0	-58.91	370.15	4.41	-54.50
CN(CC1CN(C(=O)C[N@H+]2CC3C=CC2C3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180429	1	47	0.0	-58.91	370.15	4.41	-54.50
CC1=CC=C(NCCC(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)N=C1	REAL300030180456	0	50	0.0	-60.47	409.42	4.06	-56.41
CC1=CC=C(NCCC(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)[NH+]=C1	REAL300030180456	1	50	0.0	-60.47	409.42	4.06	-56.41
CN(CC1CN(C(=O)C2(C[NH+]3CCCC3)CCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180516	0	58	0.0	-61.42	424.36	6.12	-55.30
CN(CC1CN(C(=O)C23CCC[N@@H+]2CCCC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180619	0	52	0.0	-57.98	383.46	4.75	-53.23
CN(CC1CN(C(=O)C23CCC[N@H+]2CCCC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180619	1	52	0.0	-57.98	383.46	4.75	-53.23
CN(CC1CN(C(=O)C23CCC[N@@H+]2CC=CC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180631	0	50	0.0	-57.84	377.53	4.54	-53.30
CN(CC1CN(C(=O)C23CCC[N@H+]2CC=CC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180631	1	50	0.0	-57.84	377.53	4.54	-53.30
CC(OCC[NH+](C)C)C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030180647	0	51	0.0	-66.64	403.76	4.15	-62.49
CN(CC1CN(C(=O)CCOCC[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180661	0	51	0.0	-65.45	407.87	3.37	-62.08
COCCN(C)CC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030180663	0	48	0.0	-71.25	382.55	2.49	-68.76
COCC[N@H+](C)CC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030180663	1	48	0.0	-61.41	380.89	2.48	-58.93
COCC[N@@H+](C)CC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030180663	1	48	0.0	-61.41	380.89	2.48	-58.93
CC(CCC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030180672	0	50	0.0	-65.29	390.19	4.32	-60.97
CC[N@H+](CC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030180718	0	48	0.0	-58.92	377.23	4.55	-54.37
CC1C[N@@H+]2CCN1C(C(=O)N1CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030180739	0	51	0.0	-64.79	373.31	2.69	-62.10
CN(CC1CN(C(=O)C23CC(C2)C[N@@H+]3C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180782	0	46	0.0	-73.14	358.88	3.82	-69.32
CC1=NC(N)=CC=C1C=CC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030180796	0	48	0.0	-63.83	395.27	3.29	-60.54
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030180796	1	48	0.0	-63.83	395.27	3.29	-60.54
CC1=C(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C=NN1CC[NH+](C)C	REAL300030180803	0	54	0.0	-84.25	428.44	4.24	-80.01
CN(CC1CN(C(=O)C[N@@H+]2CC3CCC2C3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180806	0	49	0.0	-69.20	376.37	4.47	-64.73
CN(CC1CN(C(=O)C[N@H+]2CC3CCC2C3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180806	1	49	0.0	-69.20	376.37	4.47	-64.73
CC(C)[NH+]1CCC(CC(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030180827	0	57	0.0	-63.44	428.70	6.11	-57.33
CC(C[NH+](C)C)C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030180844	0	47	0.0	-65.35	371.15	3.69	-61.66
CN(CC1CN(C(=O)C2C[N@H+](C)CC2C(F)(F)F)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180863	0	48	0.0	-71.09	383.92	4.90	-66.19
CN(CC1CN(C(=O)C2C[N@@H+](C)CC2C(F)(F)F)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180863	1	48	0.0	-70.66	385.30	4.23	-66.43
CN(CC1CN(C(=O)C2([NH+](C)C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180867	0	45	0.0	-61.64	356.87	3.61	-58.03
C[C@H](C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030180901	0	44	0.0	-69.62	349.59	3.03	-66.59
CC[N@@H+]1CCC1C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030180915	0	45	0.0	-71.99	364.62	3.55	-68.44
CC[N@H+]1CCC1C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030180915	1	45	0.0	-60.08	363.35	3.67	-56.41
CC(C)[N@@H+]1CCCC(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030180936	0	54	0.0	-57.80	401.23	5.40	-52.40
CC(C)[N@H+]1CCCC(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030180936	1	54	0.0	-68.45	401.70	5.41	-63.04
CN(CC1CN(C(=O)C2CCN(C3=[NH+]C=CN3C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180938	1	52	0.0	-65.41	411.70	5.05	-60.36
CCC(C)(C)[NH2+]C(C)C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030180967	0	53	0.0	-60.64	397.25	3.43	-57.21
C#CC[N@H+]1CCCCC1C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030181032	1	50	0.0	-68.51	388.29	4.96	-63.55
C#CC[N@@H+]1CCCCC1C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030181032	1	50	0.0	-56.93	398.10	5.40	-51.53
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030181036	1	47	0.0	-55.99	379.74	3.32	-52.67
CN(CC1CN(C(=O)C2=C[NH+]=CC=C2N)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181038	0	41	0.0	-76.37	338.86	0.62	-75.75
CN(CC1CN(C(=O)C(CC2=CC=CC=C2)[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181044	0	54	0.0	-64.10	418.38	6.35	-57.75
CCCC(C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030181055	0	50	0.0	-60.98	385.30	4.42	-56.56
CN(CC1CN(C(=O)C(C)(C)[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181065	0	47	0.0	-58.38	353.56	3.58	-54.80
CC(CC[NH+](C)C)C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030181096	0	50	0.0	-67.66	392.80	4.30	-63.36
CN(CC1CN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181169	0	55	0.0	-63.34	397.99	5.17	-58.17
CN(CC1CN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181169	1	55	0.0	-67.83	405.39	5.83	-62.00
CN(CC1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181210	0	50	0.0	-69.26	396.93	5.03	-64.23
CN(CC1CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181210	1	50	0.0	-57.45	382.46	5.68	-51.77
COCCCC[N@H+](C)CCC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030181267	0	57	0.0	-68.02	447.94	4.36	-63.66
COCCCC[N@@H+](C)CCC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030181267	1	57	0.0	-68.13	447.94	4.35	-63.78
CN(CC1CN(C(=O)C23CCC([NH+](C)C)(CC2)CC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181273	0	58	0.0	-80.62	415.49	5.41	-75.21
CN(CC1CN(C(=O)C2CC(C)(C)C[N@@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181282	0	51	0.0	-59.35	392.97	4.71	-54.64
CN(CC1CN(C(=O)C2CC(C)(C)C[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181282	1	51	0.0	-59.58	391.13	4.29	-55.29
CN(CC1CN(C(=O)CCCCC[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181288	0	53	0.0	-68.75	418.04	5.45	-63.30
CN(CC1CN(C(=O)CC[NH+]2CCC(O)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181294	0	52	0.0	-66.93	405.80	1.59	-65.34
CCC[N@@H+]1CCCCC1C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030181300	0	54	0.0	-58.92	399.90	5.14	-53.78
CCC[N@H+]1CCCCC1C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030181300	1	54	0.0	-68.15	401.51	5.21	-62.94
CC[NH+]1CCN(CCC(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030181310	0	56	0.0	-74.24	430.34	3.29	-70.95
CCN1CC[NH+](CCC(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030181310	1	56	0.0	-63.84	429.16	3.31	-60.53
CN(CC1CN(C(=O)CN2CC[NH+](C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181314	1	50	0.0	-75.02	391.18	2.16	-72.86
CC(C)C[NH+]1CCC(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030181472	0	57	0.0	-65.33	430.11	6.09	-59.24
CC1C[N@H+](C)CC(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030181476	1	49	0.0	-79.61	379.46	3.67	-75.94
CC1C[N@@H+](C)CC(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030181476	1	49	0.0	-81.75	378.76	3.29	-78.46
CCC1CCC[N@H+](CC(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030181522	0	54	0.0	-60.84	404.64	5.21	-55.63
CCC1CCC[N@@H+](CC(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030181522	1	54	0.0	-71.86	406.15	5.65	-66.21
CN(CC1CN(C(=O)C2=CC=C(C[NH+](C)C)N2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181534	0	49	0.0	-82.66	394.80	3.73	-78.93
CN(CC1CN(C(=O)C[NH+]2CC3CC3C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181560	0	46	0.0	-60.19	366.28	4.52	-55.67
CN(CC1CN(C(=O)CC2([NH+]3CCCC3)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181585	0	52	0.0	-69.26	397.32	5.44	-63.82
CC([NH2+]C1(CO)CCCC1)C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030181611	0	55	0.0	-61.01	416.23	0.69	-60.32
CN(CC1CN(C(=O)C2CCCC[N@@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181652	0	48	0.0	-69.53	363.15	3.77	-65.76
CN(CC1CN(C(=O)C2CCCC[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181652	1	48	0.0	-59.88	359.53	3.76	-56.12
CN(CC1CN(C(=O)C2CC[N@@H+]2CC2=CC=CC=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181661	1	52	0.0	-59.58	416.41	6.23	-53.35
CN(CC1CN(C(=O)C2CC[N@H+]2CC2=CC=CC=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181661	1	52	0.0	-75.01	424.44	6.58	-68.43
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030181668	0	57	0.0	-59.70	423.95	6.14	-53.56
CC(C)C[N@H+]1CCCC(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030181668	1	57	0.0	-78.69	423.72	6.14	-72.55
CN(CC1CN(C(=O)CN2CCC([NH+](C)C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181754	0	56	0.0	-75.24	425.50	3.36	-71.88
CN(CC1CN(C(=O)C=C2CC[N@H+](C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181847	0	46	0.0	-77.20	370.83	4.22	-72.98
CN(CC1CN(C(=O)C=C2CC[N@@H+](C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181847	1	46	0.0	-69.74	369.87	4.06	-65.68
CN(CC1CN(C(=O)CNC2=CC=[NH+]C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181855	0	44	0.0	-63.49	366.89	1.81	-61.68
CC[NH+]1CCN(CC(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030181933	0	53	0.0	-72.37	409.20	2.76	-69.61
CN(CC1CN(C(=O)C=C2C[NH+]3CCC2CC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181938	0	50	0.0	-70.68	388.47	4.99	-65.69
CN(CC1CN(C(=O)C2([NH+](C)C)CCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181998	0	51	0.0	-59.91	373.50	4.28	-55.63
CN(CC1CN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182015	0	52	0.0	-60.51	402.88	1.77	-58.74
CN(CC1CN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182015	1	52	0.0	-59.12	402.47	1.96	-57.16
CCC1C[NH+](CC(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030182023	0	48	0.0	-73.08	384.84	4.45	-68.63
CN(CC1CN(C(=O)C2C[NH+](C3CCOCC3)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182027	0	53	0.0	-66.25	414.45	3.49	-62.76
CN(CC1CN(C(=O)C2([NH+]3CCCC3)CCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182030	0	52	0.0	-57.10	388.42	4.96	-52.14
CN(CC1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182048	0	45	0.0	-59.89	350.26	3.12	-56.77
CN(CC1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182048	1	45	0.0	-58.98	354.67	3.50	-55.48
CC[N@@H+]1CCOCC1CC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030182093	0	52	0.0	-75.85	396.55	2.87	-72.98
CN(CC1CN(C(=O)C2=CC(=O)NC3=C2CCC[NH2+]3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182102	0	49	0.0	-86.58	400.28	2.03	-84.55
CN(CC1CN(C(=O)C2C[NH+](C3CCCCC3)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182127	0	55	0.0	-62.30	422.67	5.90	-56.40
COC1C[N@@H+]2CCCC2(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030182149	0	53	0.0	-61.19	406.60	3.13	-58.06
COC1C[N@H+]2CCCC2(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030182149	1	53	0.0	-61.19	406.60	3.13	-58.06
CN(CC1CN(C(=O)C2=CC=C3NC(N)=NC3=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182233	0	45	0.0	-75.29	372.20	3.42	-71.87
CN(CC1CN(C(=O)C2=CC=C3NC(N)=[NH+]C3=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182233	1	45	0.0	-75.29	372.20	3.42	-71.87
CN(CC1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182296	0	48	0.0	-66.08	380.74	4.27	-61.81
CN(CC1CN(C(=O)C2(CC[NH+](C)C)CCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182312	0	57	0.0	-66.58	426.45	5.82	-60.76
CC1CCCC(C)[NH+]1CCC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030182314	0	57	0.0	-60.05	423.23	5.68	-54.37
CN(CC1CN(C(=O)C2CCC([NH+](C)C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182317	0	54	0.0	-64.04	400.23	5.10	-58.94
CN(CC1CN(C(=O)C2(CC[NH+](C)C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182318	0	51	0.0	-66.44	403.89	5.17	-61.27
CN(CC1CN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182323	0	54	0.0	-73.36	401.09	5.11	-68.25
CN(CC1CN(C(=O)CC2CC=CC[N@@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182324	0	49	0.0	-57.98	378.05	4.56	-53.42
CN(CC1CN(C(=O)CC2CC=CC[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182324	1	49	0.0	-57.43	377.41	4.64	-52.79
CC1=CC(C=CC(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)=C[NH+]=C1N	REAL300030182404	1	48	0.0	-62.77	396.13	3.61	-59.16
CN(CC1CN(C(=O)COCC[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182421	0	48	0.0	-65.72	386.41	3.74	-61.98
CCCCC[N@H+](C)CCC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030182429	0	56	0.0	-65.41	435.77	6.07	-59.34
CCCCC[N@@H+](C)CCC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030182429	1	56	0.0	-65.51	435.76	6.06	-59.45
CN(CC1CN(C(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182446	0	52	0.0	-74.65	410.70	4.67	-69.98
CN(CC1CN(C(=O)CN2C=CSC2=[NH2+])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182483	0	41	0.0	-58.54	357.62	2.82	-55.72
C[C@@H](OCC[NH+](C)C)C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030182605	0	51	0.0	-70.80	405.65	4.23	-66.57
CN(CC1CN(C(=O)C2(C3(O)CC[NH+](C)CC3)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182610	0	56	0.0	-70.42	423.60	3.34	-67.08
CN(CC1CN(C(=O)CC[NH+]2CCCCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182703	0	54	0.0	-64.30	404.49	5.35	-58.95
CN(CC1CN(C(=O)C[NH+]2CCCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182709	0	48	0.0	-71.26	373.95	4.45	-66.81
CN(CC1CN(C(=O)C2CCC[N@H+](C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182711	0	48	0.0	-64.13	373.71	4.05	-60.08
CN(CC1CN(C(=O)C2CCC[N@@H+](C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182711	1	48	0.0	-79.45	368.47	4.06	-75.39
CN(CC1CN(C(=O)C[NH+]2CCC(CO)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182713	0	52	0.0	-63.03	403.97	1.81	-61.22
CN(CC1CN(C(=O)C[NH+]2CCCCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182719	0	51	0.0	-70.52	383.29	4.65	-65.87
CN(CC1CN(C(=O)C[N+]2=CN(C)C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182726	0	43	0.0	-60.52	361.79	6.15	-54.37
CN(CC1CN(C(=O)C(C)(C)C2CCC[N@H+](C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182749	0	57	0.0	-65.96	415.00	5.21	-60.75
CN(CC1CN(C(=O)C(C)(C)C2CCC[N@@H+](C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182749	1	57	0.0	-77.93	408.10	4.83	-73.10
CN(CC1CN(C(=O)C2=CC=C(C[NH+](C)C)O2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182755	1	48	0.0	-79.53	394.71	4.34	-75.19
CN(CC1CN(C(=O)C2=CC=C(C[NH+](C)C)N=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182765	0	50	0.0	-82.38	402.51	3.82	-78.56
CN(CC1CN(C(=O)C[NH+]2CCC(O)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182789	1	49	0.0	-63.87	383.38	1.16	-62.71
CN(CC1CN(C(=O)C[N@H+](C)C2CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182797	0	45	0.0	-59.41	360.59	3.96	-55.45
CN(CC1CN(C(=O)C[N@@H+](C)C2CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182797	1	45	0.0	-59.34	360.46	3.96	-55.38
CC(C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300030182799	1	53	0.0	-77.01	410.01	2.52	-74.49
CN(CC1CN(C(=O)CC[N@@H+]2CCC(F)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182807	0	48	0.0	-67.95	386.25	4.36	-63.59
CN(CC1CN(C(=O)CC[N@H+]2CCC(F)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182807	1	48	0.0	-78.41	387.36	4.37	-74.04
COC1C[N@H+](C)C(C)(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030182826	0	52	0.0	-66.74	391.63	2.42	-64.32
COC1C[N@@H+](C)C(C)(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030182826	1	52	0.0	-59.08	393.46	2.73	-56.35
CN(CC1CN(C(=O)C2=CC(CC[NH+](C)C)=CC=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182849	0	54	0.0	-79.25	428.37	6.46	-72.79
CC(CC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030182856	0	50	0.0	-66.84	388.36	4.54	-62.30
CN(CC1CN(C(=O)C2CC[N@@H+]3CCOCC23)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182883	0	50	0.0	-64.83	389.39	2.86	-61.97
CN(CC1CN(C(=O)C2CC[N@H+]3CCOCC23)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182883	1	50	0.0	-61.38	383.93	2.91	-58.47
CC1=[NH+]C=C2C=CC(C(=O)N3CC(CN(C)C(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300030182893	0	46	0.0	-61.85	379.45	5.43	-56.42
CN(CC1CN(C(=O)CC2COCC[N@@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182919	1	49	0.0	-70.85	376.11	2.25	-68.60
CN(CC1CN(C(=O)CC2COCC[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182919	1	49	0.0	-66.48	382.01	2.45	-64.03
CN(CC1CN(C(=O)C(C[NH+](C)C)C2=CC=CC=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182931	0	54	0.0	-62.43	429.12	6.58	-55.85
CC[NH+]1CCN(CC(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030182937	0	53	0.0	-72.37	409.20	2.76	-69.61
CC1=CC(N)=[NH+]C=C1C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030183020	1	44	0.0	-76.99	361.87	1.91	-75.08
CN(CC1CN(C(=O)CCC2=CC=C(N)[NH+]=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183023	0	47	0.0	-63.41	390.19	3.04	-60.37
CN(CC1CN(C(=O)C2(CC[NH+]3CCCCC3)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183056	0	58	0.0	-63.47	443.93	6.81	-56.66
CN(CC1CN(C(=O)C[N@@H+]2CCC(C)(O)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183098	0	49	0.0	-72.59	388.46	0.97	-71.62
CN(CC1CN(C(=O)C[N@H+]2CCC(C)(O)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183098	1	49	0.0	-60.78	386.20	1.04	-59.74
CN(CC1CN(C(=O)C2=CC=NN2CC[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183109	0	51	0.0	-70.19	407.60	3.76	-66.43
CN(CC1CN(C(=O)CC2C[NH+](C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183152	0	45	0.0	-65.48	362.46	3.36	-62.12
CN(CC1CN(C(=O)C2CC[N@@H+]2C2CCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183158	0	52	0.0	-59.86	403.66	5.59	-54.27
CN(CC1CN(C(=O)C2CC[N@H+]2C2CCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183158	1	52	0.0	-60.71	402.70	5.41	-55.30
CN(CC1CN(C(=O)CC[N@H+](C)CCO)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183218	0	48	0.0	-64.45	381.63	0.54	-63.91
CN(CC1CN(C(=O)CC[N@@H+](C)CCO)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183218	1	48	0.0	-63.10	381.80	0.67	-62.43
C[C@@H](C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030183219	0	44	0.0	-71.97	350.78	3.00	-68.97
CN(CC1CN(C(=O)CC2CCCC[N@@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183247	0	51	0.0	-63.79	390.88	4.80	-58.99
CN(CC1CN(C(=O)CC2CCCC[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183247	1	51	0.0	-57.27	383.45	4.71	-52.56
CC1=C2C=C(C(=O)N3CC(CN(C)C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030183282	1	46	0.0	-77.57	380.18	6.25	-71.32
CC(C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300030183283	0	48	0.0	-59.06	378.13	4.11	-54.95
CC1CC[N@@H+]1CC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030183289	0	45	0.0	-70.28	363.51	3.73	-66.55
CC1CC[N@H+]1CC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030183289	1	45	0.0	-71.16	363.49	3.73	-67.43
CN(CC1CN(C(=O)C=CC[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183310	0	45	0.0	-68.59	367.00	3.73	-64.86
CN(CC1CN(C(=O)C[NH+]2CC(C)(C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183328	1	48	0.0	-60.39	382.29	4.26	-56.13
CN(CC1CN(C(=O)CCCC[NH+]2CCCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183343	0	57	0.0	-66.65	437.72	6.55	-60.10
CC1=C(C)[NH+]=C(CCC(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030183360	1	49	0.0	-59.31	401.41	3.83	-55.48
CN(CC1CN(C(=O)C2=CC3=C(C[N@H+](C)CC3)S2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183361	1	49	0.0	-82.14	402.89	5.35	-76.79
CN(CC1CN(C(=O)C2=CC3=C(C[N@@H+](C)CC3)S2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183361	1	49	0.0	-71.05	401.49	5.43	-65.62
CN(CC1CN(C(=O)C2(C3CC[NH+](C)CC3)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183375	0	55	0.0	-69.32	422.02	5.87	-63.45
CC1=C2C=C(C(=O)N3CC(CN(C)C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030183386	1	46	0.0	-77.57	380.18	6.25	-71.32
CN(CC1CN(C(=O)CSCC[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183402	0	48	0.0	-69.89	397.45	4.59	-65.30
CC(C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300030183424	0	54	0.0	-60.94	424.58	6.62	-54.32
CC(C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300030183424	1	54	0.0	-60.29	425.42	6.51	-53.78
CN(CC1CN(C(=O)C2=CC3=C(CCCC3)[NH+]=C2N)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183428	1	51	0.0	-66.05	401.40	3.96	-62.09
CN(CC1CN(C(=O)C[N@@H+]2CCCC2CO)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183437	0	49	0.0	-67.68	378.44	1.12	-66.56
CN(CC1CN(C(=O)C[N@H+]2CCCC2CO)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183437	1	49	0.0	-57.97	378.11	1.11	-56.86
CC[NH+](CC)CC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030183440	0	47	0.0	-59.56	363.38	3.66	-55.90
CN(CC1CN(C(=O)C[N@H+](C)C2CCSC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183457	0	49	0.0	-65.17	389.89	4.86	-60.31
CN(CC1CN(C(=O)C[N@@H+](C)C2CCSC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183457	1	49	0.0	-65.34	389.90	4.88	-60.46
CN(CC1CN(C(=O)C[NH+]2CCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183459	1	42	0.0	-72.56	342.48	3.07	-69.49
CC[NH+](CC)CCC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030183527	0	50	0.0	-62.76	384.14	4.31	-58.45
CN(CC1CN(C(=O)C[NH+]2CCC(C(N)=O)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183553	0	52	0.0	-69.42	408.20	1.18	-68.24
CN(CC1CN(C(=O)C2=CC(C[NH+](C)C)=CN2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183617	0	49	0.0	-79.85	394.34	3.82	-76.03
CC(C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300030183643	0	52	0.0	-61.20	397.02	1.23	-59.97
CN(CC1CN(C(=O)C2CC3COCC[N@@H+]3C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183652	0	50	0.0	-62.38	385.12	2.84	-59.54
CN(CC1CN(C(=O)C2CC3COCC[N@H+]3C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183652	1	50	0.0	-63.31	386.92	2.88	-60.43
CC(C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030183674	0	45	0.0	-69.59	352.96	3.21	-66.38
CCC(CC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030183688	0	53	0.0	-66.07	407.40	5.20	-60.87
CN(CC1CN(C(=O)C=CC2=CC=C(N)[NH+]=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183697	0	45	0.0	-67.25	378.46	2.75	-64.50
CN(CC1CN(C(=O)C(C)(C)C[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183698	0	50	0.0	-63.70	375.07	3.97	-59.73
CN(CC1CN(C(=O)CC(C2=CC=CC=C2)[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183745	0	54	0.0	-65.84	422.55	6.57	-59.27
CN(CC1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183788	0	48	0.0	-70.06	374.62	4.15	-65.91
CN(CC1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183788	1	48	0.0	-68.88	362.76	3.80	-65.08
CC1CN2CC[N@@H+]1CC2C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030183806	0	51	0.0	-63.56	382.51	1.45	-62.11
CC1CN2CC[N@H+]1CC2C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030183806	1	51	0.0	-72.83	382.24	1.38	-71.45
CN(CC1CN(C(=O)CC(O)C[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183842	0	48	0.0	-68.52	383.06	1.70	-66.82
CN(CC1CN(C(=O)C2CC3CCC(C2)[NH+]3C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183845	0	52	0.0	-59.60	368.93	4.72	-54.88
C#CC1(O)CC[NH+](C(C)C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030183887	0	54	0.0	-60.39	425.04	2.49	-57.90
C=CCC(C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030183902	0	48	0.0	-60.77	378.08	4.15	-56.62
CN(CC1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183918	0	52	0.0	-76.35	400.00	5.31	-71.04
CN(CC1CN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183918	1	52	0.0	-60.63	398.03	5.26	-55.37
CN(CC1CN(C(=O)C2(C)CC[NH+](C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183936	0	51	0.0	-65.20	382.62	4.18	-61.02
CN(CC1CN(C(=O)CC2(O)CC[NH+](C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183942	0	52	0.0	-74.15	402.91	2.95	-71.20
COCC[N@@H+]1CCCC1CC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030183961	0	55	0.0	-61.40	421.07	3.98	-57.42
COCC[N@H+]1CCCC1CC(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030183961	1	55	0.0	-61.33	423.71	3.72	-57.61
CN(CC1CN(C(=O)CC2CC3CCC(C2)[NH+]3C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183977	0	55	0.0	-66.12	397.98	5.04	-61.08
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC=NN1CC[NH+](C)C	REAL300030184022	0	51	0.0	-58.73	407.25	3.69	-55.04
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC2=C(C[N@H+](C)CC2)S1	REAL300030184064	1	49	0.0	-82.87	400.56	5.21	-77.66
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC2=C(C[N@@H+](C)CC2)S1	REAL300030184064	1	49	0.0	-80.20	402.11	5.14	-75.06
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1(C2CC[NH+](C)CC2)CC1	REAL300030184076	0	55	0.0	-67.35	416.74	5.70	-61.65
CC1=C2C=C(C(=O)N(C)CC3CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030184089	1	46	0.0	-74.77	389.69	6.59	-68.18
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CSCC[NH+](C)C	REAL300030184104	0	48	0.0	-77.92	399.54	4.52	-73.40
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC2COCC[N@@H+]2C1	REAL300030184116	0	50	0.0	-72.77	386.94	2.78	-69.99
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC2COCC[N@H+]2C1	REAL300030184116	1	50	0.0	-73.60	386.41	2.79	-70.81
C[N@@H+]1CCCC1C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030184280	0	49	0.0	-71.21	383.34	3.63	-67.58
C[N@H+]1CCCC1C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030184280	1	49	0.0	-71.80	385.12	3.73	-68.07
C[N@@H+]1CCOC(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030184304	1	50	0.0	-75.31	388.94	2.92	-72.39
C[N@H+]1CCOC(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030184304	1	50	0.0	-75.09	388.94	2.94	-72.15
CC(C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300030184475	0	58	0.0	-70.79	426.81	5.14	-65.65
CC(C)[N@@H+]1CCCCC1C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030184477	0	58	0.0	-68.08	431.81	5.13	-62.95
CC(C)[N@H+]1CCCCC1C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030184477	1	58	0.0	-69.58	425.89	5.21	-64.37
CC(C)[N@@H+]1CCCC1C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030184498	0	55	0.0	-74.24	411.13	4.88	-69.36
CC(C)[N@H+]1CCCC1C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030184498	1	55	0.0	-74.30	411.14	4.90	-69.40
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@@H+]2C1	REAL300030184515	0	56	0.0	-78.73	425.40	5.40	-73.33
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@H+]2C1	REAL300030184515	1	56	0.0	-78.88	425.34	5.40	-73.48
CC(C)C1=[NH+]C=CN1CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030184537	1	53	0.0	-70.22	424.37	5.39	-64.83
CC1=[NH+]C=CN1CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030184571	1	47	0.0	-71.05	388.15	4.27	-66.78
CC(C[NH+]1CCOCC1)C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030184573	0	56	0.0	-77.45	429.13	3.37	-74.08
O=C(CCC[NH+]1CCCCC1)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030184590	0	58	0.0	-76.67	442.87	5.87	-70.80
CC(C)(C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300030184609	0	58	0.0	-50.25	416.06	6.79	-43.46
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCC1CC2	REAL300030184619	0	53	0.0	-80.65	399.91	4.46	-76.19
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1CCCC2CCC[N@@H+]21	REAL300030184665	0	56	0.0	-70.10	413.94	5.24	-64.86
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1CCCC2CCC[N@H+]21	REAL300030184665	1	56	0.0	-67.52	423.18	5.48	-62.04
C[C@@H]1[C@H](C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030184681	0	52	0.0	-76.41	395.08	4.06	-72.35
C[C@@H]1[C@H](C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030184681	1	52	0.0	-78.35	400.60	4.26	-74.09
CC[C@@H]1[C@@H](C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030184686	0	55	0.0	-78.71	415.53	4.36	-74.35
CC[C@@H]1[C@@H](C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030184686	1	55	0.0	-76.13	418.50	4.90	-71.23
CC[N@@H+]1CCOC(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030184701	1	53	0.0	-74.93	406.69	3.57	-71.36
CC[N@H+]1CCOC(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030184701	1	53	0.0	-87.86	413.01	3.77	-84.09
CC[NH+](CC)CC(F)C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030184747	0	54	0.0	-75.74	415.47	4.26	-71.48
CC1CCC(C)[NH+]1CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030184820	0	55	0.0	-70.32	414.85	4.52	-65.80
O=C(CCC[NH+]1CCCC1)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030184826	0	55	0.0	-76.27	427.65	5.18	-71.09
C[NH+](C)CC1=CC=CC(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300030184827	0	55	0.0	-78.29	435.78	6.15	-72.14
C#CC[NH+]1CCC(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030184832	0	54	0.0	-81.76	427.96	5.48	-76.28
O=C(CC[NH+]1CCCCC1)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030184833	0	55	0.0	-75.98	421.82	5.07	-70.91
C[NH+](C)CC1=CC=CC=C1C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030184836	0	55	0.0	-63.37	429.72	6.40	-56.97
CC[N@@H+]1CCCCC1C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030184840	0	55	0.0	-70.96	409.23	4.74	-66.22
CC[N@H+]1CCCCC1C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030184840	1	55	0.0	-70.58	408.26	4.77	-65.81
C[NH+](C)C(C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030184843	1	55	0.0	-73.43	432.55	6.14	-67.29
CC(C)C[N@@H+]1CCC(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030184860	0	58	0.0	-76.26	444.64	5.61	-70.65
CC(C)C[N@H+]1CCC(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030184860	1	58	0.0	-75.73	441.94	5.64	-70.09
C[NH+](C)C1(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300030184864	0	52	0.0	-54.81	381.36	5.90	-48.91
CC(C)[N@@H+]1CCCC1CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030184866	0	58	0.0	-68.98	430.16	4.79	-64.19
CC(C)[N@H+]1CCCC1CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030184866	1	58	0.0	-69.70	427.82	4.74	-64.96
CC(C)[C@@H](C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030184881	0	54	0.0	-74.27	407.36	4.88	-69.39
C[N@H+](CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030184930	0	52	0.0	-72.15	404.05	4.63	-67.52
C[N@@H+](CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030184930	1	52	0.0	-72.86	403.72	4.63	-68.23
CC(C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300030184994	0	58	0.0	-67.99	428.59	5.04	-62.95
CN(CCC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC=[NH+]C=C1	REAL300030185050	0	54	0.0	-74.69	432.56	4.32	-70.37
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030185058	1	51	0.0	-73.41	404.31	4.43	-68.98
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030185058	1	51	0.0	-71.33	410.39	4.94	-66.39
C[N@@H+]1CCCC1CCC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030185064	0	55	0.0	-80.16	421.40	4.99	-75.17
C[N@H+]1CCCC1CCC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030185064	1	55	0.0	-75.16	419.42	4.69	-70.47
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+](CCC1)C2	REAL300030185075	0	56	0.0	-75.63	415.21	4.85	-70.78
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1CCC2CCCC[N@@H+]21	REAL300030185082	0	56	0.0	-69.73	426.72	5.62	-64.11
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1CCC2CCCC[N@H+]21	REAL300030185082	1	56	0.0	-69.45	426.53	5.59	-63.86
O=C(CCCC[NH+]1CCCC1)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030185102	0	58	0.0	-76.97	449.15	5.96	-71.01
C[N@H+](CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300030185104	1	55	0.0	-79.08	434.48	6.25	-72.83
C[N@@H+](CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300030185104	1	55	0.0	-79.76	435.43	6.25	-73.51
C[NH+]1CCC(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030185115	0	52	0.0	-80.77	402.16	4.33	-76.44
C[NH+](C)CC1=CC(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)=NO1	REAL300030185156	1	51	0.0	-81.77	416.77	3.62	-78.15
CC1=C(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300030185157	0	50	0.0	-81.14	411.04	6.39	-74.75
C[N@@H+]1CCCCC1C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030185189	0	52	0.0	-71.78	391.31	4.08	-67.70
C[N@H+]1CCCCC1C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030185189	1	52	0.0	-72.96	390.50	4.08	-68.88
CC(C)C[N@@H+]1CCCC1C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030185212	0	58	0.0	-73.39	431.66	5.93	-67.46
CC(C)C[N@H+]1CCCC1C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030185212	1	58	0.0	-71.73	443.18	5.86	-65.87
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=CN2C=[NH+]C=C2C=C1	REAL300030185317	0	47	0.0	-76.37	388.00	6.15	-70.22
CC1=[NH+]C=CN1CCCC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030185326	1	53	0.0	-73.76	428.80	5.56	-68.20
C[NH+](C)CC1=CC=C(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300030185331	0	55	0.0	-85.54	435.95	6.15	-79.39
O=C(CC[NH+]1CCOCC1)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030185332	1	53	0.0	-79.26	413.09	2.65	-76.61
CC1=C[NH+]=CN1CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030185363	1	47	0.0	-75.04	388.49	5.00	-70.04
O=C(CN1C=[NH+]C2=C1CCCC2)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030185369	1	54	0.0	-74.70	430.32	6.73	-67.97
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+]1CCC2	REAL300030185405	0	53	0.0	-79.17	402.50	4.63	-74.54
C[NH+](C)C1CCCC(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030185434	0	58	0.0	-68.77	430.10	5.33	-63.44
C[N@@H+]1CCC(CC(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030185437	0	52	0.0	-78.91	405.10	4.23	-74.68
C[N@H+]1CCC(CC(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030185437	1	52	0.0	-79.40	404.30	4.22	-75.18
CN(C)C1=CC=[NH+]C=C1C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030185449	0	51	0.0	-85.69	409.42	3.45	-82.24
CCC(C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030185454	0	51	0.0	-70.03	386.21	3.78	-66.25
C[NH+](C)C1(CC(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300030185468	0	58	0.0	-79.90	422.52	5.08	-74.82
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC2=C[NH+]=CN2C=C1	REAL300030185512	1	47	0.0	-82.92	389.13	6.15	-76.77
C[NH+](C)CCCCC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030185570	0	54	0.0	-78.54	423.19	4.78	-73.76
CC(C)C(C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030185590	0	54	0.0	-69.48	403.12	4.62	-64.86
CCC[N@H+](C)CCC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030185592	0	54	0.0	-77.71	419.42	4.62	-73.09
CCC[N@@H+](C)CCC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030185592	1	54	0.0	-77.61	419.42	4.60	-73.01
CCC[N@H+](C)CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030185598	0	51	0.0	-75.02	397.95	4.07	-70.95
CCC[N@@H+](C)CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030185598	1	51	0.0	-74.85	396.83	4.06	-70.79
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C12CC[N@H+](C1)CCC2	REAL300030185622	0	53	0.0	-76.97	399.56	3.87	-73.10
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C12CC[N@@H+](C1)CCC2	REAL300030185622	1	53	0.0	-77.93	400.61	3.85	-74.08
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030185662	0	49	0.0	-72.72	377.56	3.20	-69.52
C[N@H+]1CCC[C@@H]1C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030185662	1	49	0.0	-70.97	384.21	3.73	-67.24
CCCCCC[N@H+](C)CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030185722	0	60	0.0	-76.21	462.45	6.41	-69.80
CCCCCC[N@@H+](C)CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030185722	1	60	0.0	-76.05	461.32	6.41	-69.64
CC[NH+](CC)C(C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300030185727	0	60	0.0	-71.25	428.01	4.77	-66.48
CC[NH+](CC)CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030185736	0	51	0.0	-72.55	393.18	4.00	-68.55
CCC[N@@H+]1CCCC(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030185768	0	58	0.0	-74.58	441.56	5.69	-68.89
CCC[N@H+]1CCCC(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030185768	1	58	0.0	-74.98	442.43	5.67	-69.31
CC(C)[N@@H+]1CCOC(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030185785	0	56	0.0	-83.14	429.57	4.28	-78.86
CC(C)[N@H+]1CCOC(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030185785	1	56	0.0	-79.46	423.50	4.10	-75.36
CC1CC[NH+](CC(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030185817	0	55	0.0	-74.99	420.81	5.15	-69.84
C[NH+]1CCC(OCC(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030185845	0	56	0.0	-83.02	437.78	4.74	-78.28
C[NH+](C)CC1(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030185859	0	52	0.0	-60.15	397.84	5.58	-54.57
CC1=[NH+]C=C2CCC(C(=O)NCC3CC4(CC4)CN3C(=O)C3=CC(=O)[N-]O3)CN21	REAL300030185860	1	54	0.0	-69.92	425.45	5.39	-64.53
CC(C)[NH+]1CCC(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030185935	0	58	0.0	-77.97	433.95	5.28	-72.69
C[NH+]1CCC(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030185956	0	52	0.0	-80.77	402.16	4.33	-76.44
CC(C)[C@H](C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030185974	0	54	0.0	-71.28	407.39	4.83	-66.45
CCC(C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300030186005	0	57	0.0	-67.48	422.47	5.06	-62.42
CC[N@H+](C)CCC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030186067	0	51	0.0	-76.71	397.92	3.86	-72.85
CC[N@@H+](C)CCC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030186067	1	51	0.0	-76.81	397.92	3.86	-72.95
CC1CCC[N@@H+]1CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030186123	0	52	0.0	-71.13	403.86	4.30	-66.83
CC1CCC[N@H+]1CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030186123	1	52	0.0	-72.17	403.86	4.41	-67.76
CC1CC[N@H+](CC(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030186125	0	52	0.0	-73.44	404.96	4.28	-69.16
CC1CC[N@@H+](CC(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030186125	1	52	0.0	-73.67	402.99	4.36	-69.31
CC1=[NH+]C=C2CC(C(=O)NCC3CC4(CC4)CN3C(=O)C3=CC(=O)[N-]O3)CCN21	REAL300030186127	1	54	0.0	-74.97	427.98	5.41	-69.56
CC1(C)CC[N@H+](CC(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030186130	0	55	0.0	-73.84	423.68	4.90	-68.94
CC1(C)CC[N@@H+](CC(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030186130	1	55	0.0	-73.78	423.54	4.89	-68.89
C[N@H+](CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030186131	0	57	0.0	-74.64	426.95	5.05	-69.59
C[N@@H+](CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030186131	1	57	0.0	-74.15	428.25	5.21	-68.94
CC[C@@H](C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030186140	0	51	0.0	-70.10	388.22	3.66	-66.44
C[NH+]1CCC(O)(CC(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030186319	0	56	0.0	-77.95	428.17	2.90	-75.05
C[NH+](C)CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030186331	0	45	0.0	-74.77	357.82	2.64	-72.13
O=C(C[NH+]1CCC(CO)CC1)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030186335	1	56	0.0	-75.99	431.47	1.85	-74.14
O=C(C[NH+]1CCCCCC1)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030186337	0	55	0.0	-73.16	408.90	4.72	-68.44
CN1C=C[N+](CC(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300030186341	0	47	0.0	-72.27	389.95	6.17	-66.10
C[N@@H+]1CCCC(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030186348	0	52	0.0	-76.31	402.42	4.28	-72.03
C[N@H+]1CCCC(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030186348	1	52	0.0	-66.74	396.16	4.47	-62.27
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@@H+]1C1CC1	REAL300030186353	0	53	0.0	-69.66	415.24	5.18	-64.48
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@H+]1C1CC1	REAL300030186353	1	53	0.0	-69.90	410.97	5.02	-64.88
CC(C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030186382	1	49	0.0	-73.53	387.91	3.65	-69.88
CCC(CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030186388	0	57	0.0	-78.81	429.07	5.14	-73.67
C[NH+](C)CC(C)(C)C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030186395	0	54	0.0	-67.81	404.44	4.37	-63.44
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C12CC(C1)C[N@@H+]2C1CC1	REAL300030186413	0	54	0.0	-52.89	403.70	6.39	-46.50
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C12CC(C1)C[N@H+]2C1CC1	REAL300030186413	1	54	0.0	-50.61	406.49	7.08	-43.53
O=C(C[NH+]1CCC(O)CC1)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030186424	1	53	0.0	-79.68	410.90	1.17	-78.51
C[N@H+](CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030186425	0	49	0.0	-71.32	387.09	4.05	-67.27
C[N@@H+](CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030186425	1	49	0.0	-71.72	387.23	4.05	-67.67
CC(C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300030186426	1	57	0.0	-75.33	431.83	2.51	-72.82
C[NH+]1CC(CC(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030186445	0	49	0.0	-77.15	389.27	3.48	-73.67
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@@H+]1C1CCCC1	REAL300030186449	0	56	0.0	-75.56	431.14	5.60	-69.96
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@H+]1C1CCCC1	REAL300030186449	1	56	0.0	-73.21	421.44	5.04	-68.17
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030186457	0	55	0.0	-72.94	401.27	4.35	-68.59
CC(C)(C)[N@H+]1CCC1C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030186457	1	55	0.0	-71.52	420.59	4.44	-67.08
C[C@@H](C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030186468	0	48	0.0	-71.97	374.97	3.15	-68.82
CCC1CCC[N@H+](CC(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030186510	0	58	0.0	-75.25	432.67	5.73	-69.52
CCC1CCC[N@@H+](CC(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030186510	1	58	0.0	-74.99	439.81	5.79	-69.20
C[NH+](C)CC1=CC=C(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)N1	REAL300030186518	0	53	0.0	-87.93	424.45	4.08	-83.85
[NH2+]=C1SC=CN1CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030186563	0	45	0.0	-70.34	385.79	2.84	-67.50
C[N@H+](CCO)CCC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030186573	0	52	0.0	-76.90	408.27	0.64	-76.26
C[N@@H+](CCO)CCC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030186573	1	52	0.0	-76.36	408.19	0.66	-75.70
C[C@@H](C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030186574	0	48	0.0	-71.97	374.97	3.15	-68.82
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030186578	0	52	0.0	-71.71	391.35	4.07	-67.64
C[N@H+]1CCCC[C@@H]1C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030186578	1	52	0.0	-71.98	400.50	4.25	-67.73
CC1CN2CC[N@@H+]1CC2C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030186587	0	55	0.0	-80.13	411.56	1.62	-78.51
CC1CN2CC[N@H+]1CC2C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030186587	1	55	0.0	-82.20	410.69	1.58	-80.62
O=C(CC1=CC2=C[NH+]=CN2C=C1)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030186633	0	50	0.0	-73.91	412.00	6.84	-67.07
C[N@H+](CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300030186658	0	53	0.0	-79.83	418.07	4.91	-74.92
C[N@@H+](CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300030186658	1	53	0.0	-81.26	416.94	4.88	-76.38
O=C(C[NH+]1CCC1)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030186659	1	46	0.0	-75.01	368.79	3.07	-71.94
C[NH+](C)CC1=CC(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)=CC=N1	REAL300030186689	1	54	0.0	-75.94	432.98	4.71	-71.23
C[N@@H+]1CCC(=CC(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030186691	0	50	0.0	-79.69	396.55	4.19	-75.50
C[N@H+]1CCC(=CC(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030186691	1	50	0.0	-79.33	396.67	4.18	-75.15
C[NH+](C)CCOCC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030186725	0	52	0.0	-75.70	413.59	3.72	-71.98
CCCCC[N@H+](C)CCC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030186731	0	60	0.0	-78.36	462.41	6.16	-72.20
CCCCC[N@@H+](C)CCC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030186731	1	60	0.0	-78.40	462.42	6.16	-72.24
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030186740	0	56	0.0	-76.89	436.48	4.62	-72.27
C=CCC(C)(C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030186747	0	55	0.0	-82.67	412.31	5.06	-77.61
C[S+](C)CCC(O)C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030186752	0	51	0.0	-79.17	422.67	2.32	-76.85
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030186779	0	53	0.0	-59.05	397.02	1.99	-57.06
CN1CC[N@H+](C)CC(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030186791	0	57	0.0	-73.06	428.93	2.81	-70.25
CN1CC[N@@H+](C)CC(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030186791	1	57	0.0	-73.06	428.93	2.81	-70.25
CC(C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300030186792	0	56	0.0	-73.17	427.90	1.79	-71.38
O=C(CN1CCC(CO)CC1)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030186802	0	56	0.0	-75.99	431.47	1.85	-74.14
O=C(C[NH+]1CCC(CO)CC1)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030186802	1	56	0.0	-75.99	431.47	1.85	-74.14
C[N@@H+]1CCCC(O)(CC(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030186811	0	56	0.0	-70.54	428.93	2.94	-67.60
C[N@H+]1CCCC(O)(CC(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030186811	1	56	0.0	-70.54	428.93	2.94	-67.60
CC1CN(CC(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030186814	0	49	0.0	-75.92	388.77	3.81	-72.11
CC1C[NH+](CC(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030186814	1	49	0.0	-75.92	388.77	3.81	-72.11
CN(CCO)CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030186841	0	49	0.0	-76.06	385.68	0.09	-75.97
C[N@H+](CCO)CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030186841	1	49	0.0	-75.29	386.61	0.11	-75.18
C[N@@H+](CCO)CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030186841	1	49	0.0	-75.29	386.61	0.11	-75.18
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1C[N@@H+]2CCN1CCC2	REAL300030186864	0	55	0.0	-79.64	405.98	1.97	-77.67
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1C[N@H+]2CCN1CCC2	REAL300030186864	1	55	0.0	-84.38	404.57	2.48	-81.90
CC[N@@H+]1CCCC(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030186870	0	55	0.0	-74.33	420.90	4.92	-69.41
CC[N@H+]1CCCC(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030186870	1	55	0.0	-74.55	420.08	4.94	-69.61
CC(CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030186872	0	54	0.0	-77.39	415.01	4.65	-72.74
CC[N@H+](C)CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030186885	0	48	0.0	-74.66	376.46	3.33	-71.33
CC[N@@H+](C)CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030186885	1	48	0.0	-74.57	375.33	3.32	-71.25
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C12CCC[N@@H+]1CCCC2	REAL300030186913	0	56	0.0	-54.93	390.90	6.21	-48.72
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C12CCC[N@H+]1CCCC2	REAL300030186913	1	56	0.0	-69.38	411.65	5.32	-64.06
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C12CCC[N@@H+]1CC=CC2	REAL300030186920	0	54	0.0	-66.83	386.56	6.80	-60.03
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C12CCC[N@H+]1CC=CC2	REAL300030186920	1	54	0.0	-54.91	391.81	6.40	-48.51
CC[N@H+](CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030186941	0	52	0.0	-70.39	407.00	4.70	-65.69
CC[N@@H+](CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030186941	1	52	0.0	-71.60	403.47	4.66	-66.94
CC[NH+](CC)CCC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030186959	0	54	0.0	-75.75	415.42	4.57	-71.18
C[NH+]1CCC(=CC(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030186971	0	53	0.0	-76.34	412.40	4.98	-71.36
CC1(O)CC[N@H+](CC(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030187012	0	53	0.0	-75.58	414.96	1.04	-74.54
CC1(O)CC[N@@H+](CC(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030187012	1	53	0.0	-75.56	413.86	1.08	-74.48
C[NH+](C)CC=CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187019	0	49	0.0	-79.51	393.79	3.86	-75.65
CC(OCC[NH+](C)C)C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187041	0	55	0.0	-74.19	433.49	4.39	-69.80
C[NH+](C)CCOCCC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187050	0	55	0.0	-75.58	434.54	3.45	-72.13
COCC[N@H+](C)CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187051	1	52	0.0	-74.93	408.87	2.52	-72.41
COCC[N@@H+](C)CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187051	1	52	0.0	-76.27	407.93	2.49	-73.78
C[NH+](C)C1(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300030187087	0	55	0.0	-49.37	393.83	5.74	-43.63
CC(CCC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030187090	0	54	0.0	-80.96	410.84	4.40	-76.56
CC[N@@H+]1CCC1C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187099	1	49	0.0	-74.62	390.31	3.62	-71.00
CC[N@H+]1CCC1C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187099	1	49	0.0	-73.70	389.48	3.67	-70.03
CC(C)[N@@H+]1CCCC(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030187109	0	58	0.0	-73.14	436.71	5.46	-67.68
CC(C)[N@H+]1CCCC(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030187109	1	58	0.0	-73.44	436.73	5.46	-67.98
O=C(C[N@H+]1CCCC1CO)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187122	0	53	0.0	-73.67	408.33	0.69	-72.98
O=C(C[N@@H+]1CCCC1CO)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187122	1	53	0.0	-73.56	408.22	0.70	-72.86
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@@H+]2C1	REAL300030187144	0	56	0.0	-78.73	425.40	5.40	-73.33
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@H+]2C1	REAL300030187144	1	56	0.0	-78.88	425.34	5.40	-73.48
C[NH+]1CCC(C)(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030187150	0	55	0.0	-71.65	415.91	4.71	-66.94
C[NH+](C)CC1=CNC(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300030187156	0	53	0.0	-81.74	424.21	3.97	-77.77
CC(C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300030187172	1	56	0.0	-75.87	427.70	1.63	-74.24
C=CCC(C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030187180	0	52	0.0	-71.28	400.68	4.11	-67.17
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187193	0	55	0.0	-70.01	424.65	4.77	-65.24
C[N@H+]1CC(C)(C)CC1C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187193	1	55	0.0	-70.98	419.31	4.25	-66.73
C[NH+](C)CCCCCC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187197	0	57	0.0	-77.75	444.69	5.57	-72.18
O=C(C[NH+]1CC2CC2C1)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187205	0	50	0.0	-74.61	393.15	4.53	-70.08
CC1C[N@@H+]2CCN1C(C(=O)NCC1CC3(CC3)CN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030187232	0	55	0.0	-75.21	401.67	2.25	-72.96
CC1C[N@H+]2CCN1C(C(=O)NCC1CC3(CC3)CN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030187232	1	55	0.0	-87.33	411.58	1.72	-85.61
CCCC(C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030187233	0	54	0.0	-72.63	412.68	4.59	-68.04
C[NH+](C)C(C)(C)C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187237	0	51	0.0	-54.29	374.63	4.53	-49.76
C[N@@H+]1CCCCC1C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187279	0	52	0.0	-71.78	391.31	4.08	-67.70
C[N@H+]1CCCCC1C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187279	1	52	0.0	-72.96	390.50	4.08	-68.88
C[N@H+]1CC=C(CC(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030187319	0	53	0.0	-73.83	416.94	5.01	-68.82
C[N@@H+]1CC=C(CC(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030187319	1	53	0.0	-71.70	417.84	4.97	-66.73
O=C(CC1([NH+]2CCCC2)CC1)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187328	0	56	0.0	-72.16	422.85	5.40	-66.76
C[NH+](C)CC1=CC=C(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030187377	1	52	0.0	-84.26	423.23	4.45	-79.81
C[NH+](C)CC1=CC=C(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C=N1	REAL300030187382	0	54	0.0	-82.55	432.78	4.30	-78.25
O=C(C=CC[NH+]1CCCC1)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187394	0	53	0.0	-78.51	420.13	5.07	-73.44
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1CC[NH+](C2CC2)CC1	REAL300030187418	0	56	0.0	-78.98	427.24	5.53	-73.45
C[NH+](C)C1(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030187439	0	49	0.0	-57.63	375.28	5.44	-52.19
O=C(CC[NH+]1CCCC1)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187441	0	52	0.0	-76.18	406.15	4.38	-71.80
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCN1CC2	REAL300030187479	0	52	0.0	-85.30	394.29	1.08	-84.22
C[N@@H+]1CC2CC1(C(=O)NCC1CC3(CC3)CN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030187489	0	50	0.0	-77.64	389.92	3.90	-73.74
C[N@H+]1CC2CC1(C(=O)NCC1CC3(CC3)CN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030187489	1	50	0.0	-49.00	372.24	5.26	-43.74
O=C(C[N@@H+]1CC2CCC1C2)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187503	0	53	0.0	-72.59	405.42	4.76	-67.83
O=C(C[N@H+]1CC2CCC1C2)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187503	1	53	0.0	-72.92	405.07	4.74	-68.18
O=C(C=C1C[NH+]2CCC1CC2)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187544	0	54	0.0	-69.65	413.96	5.04	-64.61
O=C(C[N@@H+]1CC2C=CC1C2)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187554	1	51	0.0	-70.84	398.03	4.52	-66.32
O=C(C[N@H+]1CC2C=CC1C2)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187554	1	51	0.0	-72.96	397.74	4.61	-68.35
CC[NH+]1CCN(CC(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030187586	0	57	0.0	-73.68	434.07	2.78	-70.90
CC(C[NH+](C)C)C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187606	0	51	0.0	-67.39	395.59	4.06	-63.33
C[N@@H+]1CCCCC1CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187684	0	55	0.0	-65.40	410.62	4.69	-60.71
C[N@H+]1CCCCC1CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187684	1	55	0.0	-68.48	410.58	4.72	-63.76
CC1=C2C=C(C(=O)NCC3CC4(CC4)CN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030187700	1	50	0.0	-80.33	410.18	6.74	-73.59
CC(C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300030187701	1	52	0.0	-71.28	406.59	4.33	-66.95
CC1CC[N@@H+]1CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187704	1	49	0.0	-72.25	383.66	3.46	-68.79
CC1CC[N@H+]1CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187704	1	49	0.0	-73.53	389.99	3.72	-69.81
C[NH+](C)CC(O)CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187709	0	52	0.0	-81.02	410.44	1.70	-79.32
CC1C[N@H+](C)CC(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030187737	1	53	0.0	-75.53	409.12	3.70	-71.83
CC1C[N@@H+](C)CC(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030187737	1	53	0.0	-88.16	417.32	3.81	-84.35
O=C(CC[NH+]1CCC(O)CC1)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187746	0	56	0.0	-79.48	432.91	1.74	-77.74
CCC[N@@H+]1CCCCC1C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187748	0	58	0.0	-69.76	439.84	5.69	-64.07
CCC[N@H+]1CCCCC1C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187748	1	58	0.0	-69.90	438.71	5.65	-64.25
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030187827	0	52	0.0	-74.76	407.37	4.38	-70.38
CC(CC[NH+](C)C)C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187835	0	54	0.0	-76.48	417.86	4.54	-71.94
C[N@H+](CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300030187856	0	56	0.0	-71.14	429.90	1.86	-69.28
C[N@@H+](CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300030187856	1	56	0.0	-71.69	428.72	2.06	-69.63
C#CC[N@H+]1CCCCC1C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187865	1	54	0.0	-71.35	415.81	5.31	-66.04
C#CC[N@@H+]1CCCCC1C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187865	1	54	0.0	-70.09	424.88	5.47	-64.62
C[NH+]1CCN(CC(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030187868	1	54	0.0	-74.68	416.84	2.14	-72.54
CC[NH+]1CCN(CC(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030187877	0	57	0.0	-73.68	434.07	2.78	-70.90
NC(=[NH2+])SCC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187903	0	43	0.0	-77.72	366.35	-0.48	-78.20
CC[N@@H+]1CCOCC1CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187940	0	56	0.0	-80.35	425.74	3.12	-77.23
C[NH+](C)C1CCC(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030187956	0	58	0.0	-68.47	431.01	5.34	-63.13
C[NH+](C)CCC1(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030187957	0	55	0.0	-65.32	417.60	6.89	-58.43
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030187959	0	58	0.0	-68.23	430.95	5.31	-62.92
C[N@@H+]1CC=CCC1CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187960	0	53	0.0	-66.15	404.89	4.64	-61.51
C[N@H+]1CC=CCC1CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187960	1	53	0.0	-66.15	404.89	4.64	-61.51
C[C@@H](OCC[NH+](C)C)C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187983	0	55	0.0	-72.06	434.36	4.39	-67.67
C[NH+]1C2CCC1CC(C(=O)NCC1CC3(CC3)CN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030188011	0	56	0.0	-77.21	397.67	5.05	-72.16
CC(C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300030188121	1	53	0.0	-77.12	410.53	4.56	-72.56
CCC1C[NH+](CC(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030188123	1	52	0.0	-76.03	411.33	4.50	-71.53
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1([NH+]2CCCC2)CCC1	REAL300030188125	0	56	0.0	-76.22	418.58	5.33	-70.89
C[N@H+]1CCC[C@H]1C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030188134	1	49	0.0	-75.63	377.70	3.20	-72.43
O=C(CC[N@@H+]1CCC(F)C1)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030188141	1	52	0.0	-81.81	412.24	4.46	-77.35
COC1C[N@@H+](C)C(C)(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030188149	1	56	0.0	-82.95	428.59	3.42	-79.53
O=C(CC[NH+]1CCCCCC1)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030188158	0	58	0.0	-78.71	431.80	5.31	-73.40
O=C(C[NH+]1CCCCC1)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030188160	0	52	0.0	-74.08	399.55	4.52	-69.56
CC1C(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030188170	0	52	0.0	-75.75	399.82	3.86	-71.89
CC1C(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030188170	1	52	0.0	-78.30	395.52	3.75	-74.55
C[N@@H+]1CCCCC1CCC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030188172	0	58	0.0	-78.67	431.79	5.39	-73.28
C[N@H+]1CCCCC1CCC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030188172	1	58	0.0	-74.42	438.86	5.58	-68.84
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@@H+]2CCOCC12	REAL300030188202	0	54	0.0	-71.22	413.59	2.95	-68.27
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@H+]2CCOCC12	REAL300030188202	1	54	0.0	-73.71	413.72	3.01	-70.70
CC1=[NH+]C=C2C=CC(C(=O)NCC3CC4(CC4)CN3C(=O)C3=CC(=O)[N-]O3)=CN21	REAL300030188207	0	50	0.0	-72.83	409.42	5.93	-66.90
CN1CCOCC1CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030188224	0	53	0.0	-82.62	408.17	2.48	-80.14
C[N@@H+]1CCOCC1CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030188224	1	53	0.0	-82.49	407.83	2.50	-79.99
C[N@H+]1CCOCC1CC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030188224	1	53	0.0	-82.62	408.17	2.48	-80.14
CC1=C(C)[NH+]=C(CCC(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)N1	REAL300030188232	1	53	0.0	-70.71	428.06	3.93	-66.78
C[N@H+]1CCCC1C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030188404	1	49	0.0	-70.66	379.05	3.27	-67.39
CC1=[NH+]C=CN1CCCC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030188590	1	53	0.0	-69.29	432.29	5.69	-63.60
C[NH+](C)CC1=CC=C(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300030188595	0	55	0.0	-82.12	432.66	6.63	-75.49
O=C(CC[NH+]1CCOCC1)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030188596	1	53	0.0	-75.33	416.59	2.80	-72.53
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC(=O)[N-]O1	REAL300030188622	1	47	0.0	-74.87	382.34	6.58	-68.29
C[NH+](C)C1CCCC(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030188674	0	58	0.0	-71.34	435.13	5.30	-66.04
C[N@@H+]1CCC(CC(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030188677	0	52	0.0	-72.85	408.04	4.39	-68.46
C[N@H+]1CCC(CC(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030188677	1	52	0.0	-75.12	407.38	4.40	-70.72
CCC(C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030188692	0	51	0.0	-66.08	389.40	3.62	-62.46
C[NH+](C)CCCCC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030188751	0	54	0.0	-74.24	426.68	4.92	-69.32
CCC[N@H+](C)CCC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030188771	0	54	0.0	-74.03	422.62	4.78	-69.25
CCC[N@@H+](C)CCC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030188771	1	54	0.0	-73.91	422.62	4.77	-69.14
CCC[N@H+](C)CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030188775	0	51	0.0	-70.39	400.72	4.18	-66.21
CCC[N@@H+](C)CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030188775	1	51	0.0	-70.33	400.73	4.18	-66.15
O=C(NCC1CC2(CC2)CN1C(=O)C12CC[N@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300030188793	0	53	0.0	-68.24	390.79	4.51	-63.73
O=C(NCC1CC2(CC2)CN1C(=O)C12CC[N@@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300030188793	1	53	0.0	-75.62	389.04	4.47	-71.15
CCCCCC[N@H+](C)CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030188822	0	60	0.0	-71.74	465.24	6.51	-65.23
CCCCCC[N@@H+](C)CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030188822	1	60	0.0	-71.66	465.23	6.52	-65.14
CC1CC[NH+](CC(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030188857	0	55	0.0	-71.50	423.61	5.26	-66.24
C[NH+]1CCC(OCC(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030188879	0	56	0.0	-78.91	441.27	4.88	-74.03
O=C(NCC1CC2(CC2)CN1C(=O)C1CC2CCCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300030188917	0	56	0.0	-74.30	426.03	5.29	-69.01
O=C(NCC1CC2(CC2)CN1C(=O)C1CC2CCCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300030188917	1	56	0.0	-68.32	425.51	5.37	-62.95
C[NH+](C)CC1(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030188927	0	52	0.0	-72.82	403.95	5.21	-67.61
CC1=[NH+]C=C2CCC(C(=O)N3CC4(CC4)CC3CNC(=O)C3=CC(=O)[N-]O3)CN21	REAL300030188928	1	54	0.0	-66.50	424.13	5.18	-61.32
CC(C)[NH+]1CCC(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030188938	0	58	0.0	-73.80	431.50	5.10	-68.70
CC[N@H+](C)CCC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030188960	0	51	0.0	-73.16	401.12	4.04	-69.12
CC[N@@H+](C)CCC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030188960	1	51	0.0	-73.14	401.12	4.03	-69.11
O=C(NCC1CC2(CC2)CN1C(=O)C1C[NH+]2CCC1CC2)C1=CC(=O)[N-]O1	REAL300030188990	0	53	0.0	-76.93	399.78	4.37	-72.56
C[NH+]1CCC(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030189058	0	52	0.0	-71.72	398.50	5.03	-66.69
CC[NH+](CC)CC(F)C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030189146	0	54	0.0	-74.52	415.94	4.36	-70.16
CC(C)C[N@@H+]1CCC(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030189173	0	58	0.0	-72.21	441.92	5.67	-66.54
CC(C)C[N@H+]1CCC(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030189173	1	58	0.0	-68.29	439.22	6.34	-61.95
CCC(C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300030189198	0	57	0.0	-60.11	421.59	5.54	-54.57
CC1CCC[N@@H+]1CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030189214	0	52	0.0	-68.10	405.94	4.45	-63.65
CC1CCC[N@H+]1CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030189214	1	52	0.0	-67.89	406.46	4.53	-63.36
CC(C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300030189275	0	58	0.0	-66.23	430.09	5.19	-61.04
CC(C)[N@@H+]1CCCC1C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030189294	0	55	0.0	-64.24	402.07	5.66	-58.58
CC(C)[N@H+]1CCCC1C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030189294	1	55	0.0	-62.39	399.57	5.65	-56.74
CC(C)[N@@H+]1CCCC1CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030189299	0	58	0.0	-64.51	432.34	4.91	-59.60
CC(C)[N@H+]1CCCC1CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030189299	1	58	0.0	-65.98	435.47	6.33	-59.65
CC1CC[N@H+](CC(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030189329	0	52	0.0	-70.22	406.62	4.51	-65.71
CC1CC[N@@H+](CC(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030189329	1	52	0.0	-70.14	406.85	4.51	-65.63
CC1=[NH+]C=C2CC(C(=O)N3CC4(CC4)CC3CNC(=O)C3=CC(=O)[N-]O3)CCN21	REAL300030189330	1	54	0.0	-70.55	425.43	5.25	-65.30
CC1(C)CC[N@H+](CC(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030189333	0	55	0.0	-69.94	425.86	5.01	-64.93
CC1(C)CC[N@@H+](CC(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030189333	1	55	0.0	-69.97	426.90	5.00	-64.97
C[N@H+](CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030189334	0	57	0.0	-70.95	428.32	5.16	-65.79
C[N@@H+](CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030189334	1	57	0.0	-69.94	431.53	5.34	-64.60
CC[C@@H](C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030189341	0	51	0.0	-70.04	391.41	3.84	-66.20
CN(CCC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1)C1=CC=[NH+]C=C1	REAL300030189456	0	54	0.0	-68.08	435.80	4.43	-63.65
CC1=[NH+]C=CN1CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030189534	1	47	0.0	-67.02	390.48	4.38	-62.64
CC(C[NH+]1CCOCC1)C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030189536	1	56	0.0	-65.71	426.15	4.08	-61.63
O=C(CCC[NH+]1CCCCC1)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030189550	0	58	0.0	-72.32	446.82	6.02	-66.30
C[NH+](C)CC1=CC(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)=NO1	REAL300030189563	1	51	0.0	-78.29	416.94	4.04	-74.25
CC1=C(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300030189564	0	50	0.0	-69.66	409.82	7.23	-62.43
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030189597	1	53	0.0	-65.66	426.80	5.51	-60.15
O=C(NCC1CC2(CC2)CN1C(=O)C1CCCC2CCC[N@@H+]21)C1=CC(=O)[N-]O1	REAL300030189630	0	56	0.0	-65.16	413.01	5.90	-59.26
O=C(NCC1CC2(CC2)CN1C(=O)C1CCCC2CCC[N@H+]21)C1=CC(=O)[N-]O1	REAL300030189630	1	56	0.0	-67.16	414.05	4.92	-62.24
CC[N@@H+]1CCOC(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030189649	1	53	0.0	-73.07	400.16	4.28	-68.79
CC[N@H+]1CCOC(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030189649	1	53	0.0	-81.24	412.13	3.64	-77.60
O=C(NCC1CC2(CC2)CN1C(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC(=O)[N-]O1	REAL300030189689	0	47	0.0	-67.50	382.10	6.57	-60.93
CC1=C[NH+]=CN1CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030189694	1	47	0.0	-68.92	390.81	5.11	-63.81
C[C@@H]1[C@H](C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030189708	0	52	0.0	-72.04	397.75	3.97	-68.07
C[C@@H]1[C@H](C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030189708	1	52	0.0	-67.70	397.59	4.72	-62.98
CC[C@@H]1[C@@H](C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030189712	0	55	0.0	-68.13	412.73	5.09	-63.04
CC[C@@H]1[C@@H](C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030189712	1	55	0.0	-72.07	420.42	4.69	-67.38
CC1CCC(C)[NH+]1CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030189722	0	55	0.0	-61.93	414.23	5.55	-56.38
O=C(CCC[NH+]1CCCC1)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030189728	0	55	0.0	-72.05	431.15	5.31	-66.74
C[NH+](C)CC1=CC=CC(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030189729	0	55	0.0	-66.33	430.42	6.52	-59.81
C#CC[NH+]1CCC(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030189734	0	54	0.0	-77.72	425.99	5.34	-72.38
O=C(CC[NH+]1CCCCC1)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030189735	0	55	0.0	-72.35	425.07	5.23	-67.12
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030189746	1	54	0.0	-69.76	432.62	6.85	-62.91
C[NH+](C)C1(CC(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300030189773	0	58	0.0	-75.81	424.85	5.22	-70.59
C[N@H+](CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030189907	0	52	0.0	-68.32	407.12	4.76	-63.56
C[N@@H+](CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030189907	1	52	0.0	-68.89	407.26	4.77	-64.12
CC(C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300030189925	0	58	0.0	-61.67	429.23	5.71	-55.96
O=C(CCCC[NH+]1CCCC1)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030189938	0	58	0.0	-72.72	452.64	6.09	-66.63
C[N@H+](CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300030189940	1	55	0.0	-75.15	438.15	6.37	-68.78
C[N@@H+](CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300030189940	1	55	0.0	-75.79	437.73	6.37	-69.42
C[NH+]1CCC(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030189951	0	52	0.0	-71.72	398.50	5.03	-66.69
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030189986	0	49	0.0	-69.11	379.25	3.24	-65.87
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030189986	1	49	0.0	-67.64	385.65	3.71	-63.93
C[N@@H+]1CCCC1CCC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030190012	0	55	0.0	-75.12	428.50	5.29	-69.83
C[N@H+]1CCCC1CCC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030190012	1	55	0.0	-70.42	422.52	4.80	-65.62
O=C(NCC1CC2(CC2)CN1C(=O)C1CCC2CCCC[N@@H+]21)C1=CC(=O)[N-]O1	REAL300030190026	0	56	0.0	-67.88	420.23	5.19	-62.69
O=C(NCC1CC2(CC2)CN1C(=O)C1CCC2CCCC[N@H+]21)C1=CC(=O)[N-]O1	REAL300030190026	1	56	0.0	-67.34	420.84	5.23	-62.11
CCC[N@@H+]1CCCC(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030190086	0	58	0.0	-63.48	434.87	5.72	-57.76
CCC[N@H+]1CCCC(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030190086	1	58	0.0	-63.28	437.49	6.34	-56.94
CC(C)[N@@H+]1CCOC(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030190099	1	56	0.0	-79.76	427.90	4.12	-75.64
CC(C)[N@H+]1CCOC(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030190099	1	56	0.0	-78.29	429.05	4.16	-74.13
O=C(C[NH+]1CCC(CO)CC1)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030190156	0	56	0.0	-72.33	434.44	1.95	-70.38
CC1C(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030190199	0	52	0.0	-72.20	398.21	3.77	-68.43
CC1C(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030190199	1	52	0.0	-71.87	400.75	4.30	-67.57
C[N@@H+]1CCCCC1CCC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030190201	0	58	0.0	-70.56	442.04	5.72	-64.84
C[N@H+]1CCCCC1CCC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030190201	1	58	0.0	-70.46	441.73	5.74	-64.72
NC1=[NH+]C2=C(C=C1C(=O)N1CC3(CC3)CC1CNC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030190227	1	52	0.0	-59.67	408.92	4.36	-55.31
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030190276	0	55	0.0	-67.99	422.27	4.38	-63.61
CC(C)(C)[N@H+]1CCC1C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030190276	1	55	0.0	-67.89	421.90	4.43	-63.46
C[C@@H](C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030190294	0	48	0.0	-60.36	372.54	3.80	-56.56
C[NH+](C)CC1=CC(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)=CC=N1	REAL300030190308	1	54	0.0	-66.20	426.25	4.70	-61.50
C=CCC(C)(C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030190312	0	55	0.0	-57.62	404.88	4.87	-52.75
O=C(CC[NH+]1CCCC1)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030190337	0	52	0.0	-72.64	409.35	4.55	-68.09
C[N@H+](CCO)CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030190346	1	49	0.0	-70.77	389.59	0.20	-70.57
C[N@@H+](CCO)CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030190346	1	49	0.0	-71.11	389.52	0.24	-70.87
O=C(NCC1CC2(CC2)CN1C(=O)C1C[N@@H+]2CCN1CCC2)C1=CC(=O)[N-]O1	REAL300030190379	0	55	0.0	-83.35	403.72	2.17	-81.18
O=C(NCC1CC2(CC2)CN1C(=O)C1C[N@H+]2CCN1CCC2)C1=CC(=O)[N-]O1	REAL300030190379	1	55	0.0	-80.17	407.26	1.93	-78.24
CC(C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300030190398	1	53	0.0	-66.17	414.19	5.58	-60.59
C[N@H+]1CC=C(CC(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030190431	0	53	0.0	-69.09	420.39	5.10	-63.99
C[N@@H+]1CC=C(CC(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030190431	1	53	0.0	-66.94	420.61	5.13	-61.81
C[S+](C)CCC(O)C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030190443	0	51	0.0	-76.33	417.96	2.87	-73.46
CN1CC[N@H+](C)CC(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030190472	0	57	0.0	-67.96	430.08	2.63	-65.33
CN1CC[N@@H+](C)CC(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030190472	1	57	0.0	-60.16	425.39	3.34	-56.82
CC(C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300030190473	0	56	0.0	-61.28	426.19	2.43	-58.85
CC(C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1)[N@H+]1CCCC(O)C1	REAL300030190473	1	56	0.0	-63.32	423.34	2.52	-60.80
C[N@@H+]1CCCC(O)(CC(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030190504	0	56	0.0	-65.14	421.35	2.86	-62.28
C[N@H+]1CCCC(O)(CC(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030190504	1	56	0.0	-71.53	418.76	3.01	-68.52
CC1C[NH+](CC(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030190508	1	49	0.0	-71.08	392.29	3.88	-67.20
CC[N@@H+]1CCCC(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030190513	0	55	0.0	-54.59	409.17	5.86	-48.73
CC[N@H+]1CCCC(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030190513	1	55	0.0	-54.39	407.62	5.88	-48.51
NC1=[NH+]C=CC=C1CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030190519	0	48	0.0	-66.57	395.29	2.59	-63.98
O=C(NCC1CC2(CC2)CN1C(=O)C1CCC[N@@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300030190530	0	53	0.0	-64.16	406.07	5.61	-58.55
O=C(NCC1CC2(CC2)CN1C(=O)C1CCC[N@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300030190530	1	53	0.0	-64.62	397.82	5.32	-59.30
O=C(C=CC[NH+]1CCCC1)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030190569	0	53	0.0	-74.59	422.95	5.16	-69.43
O=C(NCC1CC2(CC2)CN1C(=O)C1CC[NH+](C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300030190590	0	56	0.0	-74.51	429.96	5.55	-68.96
CC[N@H+](C)CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030190626	0	48	0.0	-70.64	378.79	3.43	-67.21
O=C(CN1CC2C=CC1C2)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030190678	0	51	0.0	-65.80	400.64	4.64	-61.16
O=C(C[N@@H+]1CC2C=CC1C2)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030190678	1	51	0.0	-69.16	399.89	4.73	-64.43
O=C(C[N@H+]1CC2C=CC1C2)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030190678	1	51	0.0	-69.16	399.89	4.73	-64.43
CC1=CC=C(NCCC(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)N=C1	REAL300030190698	0	54	0.0	-67.67	440.19	4.19	-63.48
CC1=CC=C(NCCC(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)[NH+]=C1	REAL300030190698	1	54	0.0	-67.67	440.19	4.19	-63.48
CC(OCC[NH+](C)C)C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030190804	0	55	0.0	-69.49	432.52	4.33	-65.16
C[NH+](C)CCOCCC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030190814	0	55	0.0	-72.64	437.57	3.63	-69.01
COCCN(C)CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030190816	0	52	0.0	-71.14	411.63	2.63	-68.51
COCC[N@H+](C)CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030190816	1	52	0.0	-71.01	411.84	2.60	-68.41
COCC[N@@H+](C)CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030190816	1	52	0.0	-71.01	411.84	2.60	-68.41
CC(CCC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030190822	0	54	0.0	-77.37	414.20	4.55	-72.82
CC[N@H+](CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030190846	0	52	0.0	-68.13	406.76	4.77	-63.36
CC1C[N@@H+]2CCN1C(C(=O)N1CC3(CC3)CC1CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030190856	0	55	0.0	-80.46	410.02	1.50	-78.96
CC1C[N@H+]2CCN1C(C(=O)N1CC3(CC3)CC1CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030190856	1	55	0.0	-63.69	397.75	4.43	-59.26
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030190885	1	52	0.0	-71.87	424.84	3.43	-68.44
O=C(C[N@@H+]1CC2CCC1C2)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030190891	0	53	0.0	-68.55	407.98	4.88	-63.67
O=C(C[N@H+]1CC2CCC1C2)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030190891	1	53	0.0	-68.67	407.76	4.84	-63.83
CC(C[NH+](C)C)C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030190910	0	51	0.0	-73.20	394.77	3.73	-69.47
C[C@H](C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030190944	0	48	0.0	-62.05	373.62	3.99	-58.06
CC[N@@H+]1CCC1C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030190953	1	49	0.0	-70.08	392.71	3.74	-66.34
CC[N@H+]1CCC1C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030190953	1	49	0.0	-70.12	391.70	3.70	-66.42
CC(C)[N@@H+]1CCCC(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030190963	0	58	0.0	-64.16	433.22	6.28	-57.88
CC(C)[N@H+]1CCCC(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030190963	1	58	0.0	-62.84	431.95	6.13	-56.71
CCC(C)(C)[NH2+]C(C)C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030190974	0	57	0.0	-68.86	425.88	3.51	-65.35
C#CC[N@H+]1CCCCC1C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030191015	1	54	0.0	-67.30	427.14	5.55	-61.75
C#CC[N@@H+]1CCCCC1C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030191015	1	54	0.0	-60.26	421.78	6.25	-54.01
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030191016	1	51	0.0	-61.76	405.15	4.21	-57.55
NC1=CC=[NH+]C=C1C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030191017	0	45	0.0	-69.54	363.90	1.57	-67.97
CCCC(C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030191026	0	54	0.0	-66.72	410.90	4.38	-62.34
CC(CC[NH+](C)C)C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030191048	0	54	0.0	-73.03	416.40	4.35	-68.68
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030191144	0	55	0.0	-66.65	424.61	4.75	-61.90
C[N@H+]1CC(C)(C)CC1C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030191144	1	55	0.0	-66.68	422.29	4.75	-61.93
C[NH+](C)CCCCCC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030191149	0	57	0.0	-73.44	448.18	5.69	-67.75
O=C(CC[NH+]1CCC(O)CC1)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030191153	0	56	0.0	-75.60	435.95	1.83	-73.77
CCC[N@@H+]1CCCCC1C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030191156	0	58	0.0	-68.13	429.23	5.27	-62.86
CCC[N@H+]1CCCCC1C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030191156	1	58	0.0	-66.79	441.14	5.73	-61.06
C[NH+]1CCN(CC(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030191165	1	54	0.0	-71.46	420.03	2.28	-69.18
CC1C[N@H+](C)CC(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030191256	1	53	0.0	-82.72	407.95	3.67	-79.05
CC1C[N@@H+](C)CC(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030191256	1	53	0.0	-84.58	403.52	4.00	-80.58
CCC1CCC[N@H+](CC(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030191286	0	58	0.0	-68.92	434.82	5.40	-63.52
CCC1CCC[N@@H+](CC(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030191286	1	58	0.0	-67.87	434.77	5.41	-62.46
C[NH+](C)CC1=CC=C(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)N1	REAL300030191294	0	53	0.0	-86.57	418.30	5.22	-81.35
O=C(C[NH+]1CC2CC2C1)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030191308	0	50	0.0	-71.06	396.52	4.67	-66.39
O=C(CC1([NH+]2CCCC2)CC1)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030191321	0	56	0.0	-68.51	426.04	5.55	-62.96
C[N@@H+]1CCCCC1C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030191353	0	52	0.0	-57.77	396.27	5.03	-52.74
C[N@H+]1CCCCC1C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030191353	1	52	0.0	-65.04	389.11	4.88	-60.16
C[N@@H+]1CCC(=CC(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030191453	0	50	0.0	-75.03	399.49	4.30	-70.73
C[N@H+]1CCC(=CC(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030191453	1	50	0.0	-74.68	398.69	4.37	-70.31
O=C(CNC1=CC=[NH+]C=C1)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030191458	0	48	0.0	-71.94	396.77	2.05	-69.89
CC[NH+]1CCN(CC(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030191507	0	57	0.0	-70.44	437.27	2.92	-67.52
O=C(C=C1C[NH+]2CCC1CC2)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030191508	0	54	0.0	-65.51	417.13	5.16	-60.35
C[N@H+](CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300030191547	0	56	0.0	-65.40	431.50	2.17	-63.23
C[N@@H+](CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300030191547	1	56	0.0	-68.10	432.10	2.14	-65.96
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030191564	0	49	0.0	-66.93	384.76	3.58	-63.35
C[N@H+]1CCC[C@H]1C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030191564	1	49	0.0	-68.68	379.42	3.29	-65.39
CCN1CCOCC1CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030191592	0	56	0.0	-64.13	420.27	3.87	-60.26
CC[N@@H+]1CCOCC1CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030191592	1	56	0.0	-69.89	424.21	4.03	-65.86
CC[N@H+]1CCOCC1CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030191592	1	56	0.0	-69.89	424.21	4.03	-65.86
NC1=NC2=CC(C(=O)N3CC4(CC4)CC3CNC(=O)C3=CC(=O)[N-]O3)=CC=C2N1	REAL300030191668	0	49	0.0	-68.65	396.47	4.28	-64.37
NC1=[NH+]C2=CC(C(=O)N3CC4(CC4)CC3CNC(=O)C3=CC(=O)[N-]O3)=CC=C2N1	REAL300030191668	1	49	0.0	-68.65	396.47	4.28	-64.37
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030191701	0	52	0.0	-71.65	410.11	4.50	-67.15
C[NH+](C)C1CCC(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030191715	0	58	0.0	-77.66	435.15	5.30	-72.36
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030191717	0	58	0.0	-63.32	429.76	5.19	-58.13
C[N@@H+]1CC=CCC1CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030191718	0	53	0.0	-64.73	407.18	4.80	-59.93
C[N@H+]1CC=CCC1CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030191718	1	53	0.0	-64.73	407.18	4.80	-59.93
CC1=CC(C=CC(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)=CN=C1N	REAL300030191765	0	52	0.0	-75.69	425.05	3.73	-71.96
CC1=CC(C=CC(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)=C[NH+]=C1N	REAL300030191765	1	52	0.0	-75.69	425.05	3.73	-71.96
C[NH+](C)CCOCC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030191777	0	52	0.0	-71.36	417.19	3.83	-67.53
CCCCC[N@H+](C)CCC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030191783	0	60	0.0	-74.94	465.65	6.33	-68.61
CCCCC[N@@H+](C)CCC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030191783	1	60	0.0	-74.94	465.65	6.33	-68.61
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030191793	0	56	0.0	-71.86	436.05	4.60	-67.26
[NH2+]=C1SC=CN1CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030191811	0	45	0.0	-66.69	388.12	2.95	-63.74
C[C@@H](OCC[NH+](C)C)C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030191873	0	55	0.0	-55.50	428.74	4.95	-50.55
O=C(CC[NH+]1CCCCCC1)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030191907	0	58	0.0	-74.79	435.04	5.44	-69.35
C[N@@H+]1CCCC(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030191913	0	52	0.0	-64.28	398.16	4.94	-59.34
C[N@H+]1CCCC(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030191913	1	52	0.0	-64.28	398.16	4.94	-59.34
O=C(C[NH+]1CCCCCC1)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030191917	0	55	0.0	-70.04	412.29	4.81	-65.23
CN1C=C[N+](CC(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030191922	0	47	0.0	-67.57	392.25	6.29	-61.28
CN(C)CC1=CC=C(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030191937	0	52	0.0	-80.76	421.26	4.55	-76.21
C[NH+](C)CC1=CC=C(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030191937	1	52	0.0	-80.76	421.26	4.55	-76.21
O=C(CN1CCC(O)CC1)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030191953	0	53	0.0	-76.03	413.85	1.30	-74.73
O=C(C[NH+]1CCC(O)CC1)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030191953	1	53	0.0	-76.03	413.85	1.30	-74.73
C[N@H+](CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030191958	0	49	0.0	-67.81	390.73	4.17	-63.64
CC(C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1)N1CCN(C)CC1	REAL300030191960	0	57	0.0	-62.05	424.08	3.15	-58.90
CC(C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300030191960	1	57	0.0	-62.05	424.08	3.15	-58.90
O=C(CC[N@H+]1CCC(F)C1)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030191963	0	52	0.0	-75.48	415.52	4.57	-70.91
CC(CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030191987	0	54	0.0	-73.01	418.51	4.79	-68.22
O=C(NCC1CC2(CC2)CN1C(=O)C1CC[N@@H+]2CCOCC12)C1=CC(=O)[N-]O1	REAL300030192002	0	54	0.0	-77.37	416.51	2.93	-74.44
O=C(NCC1CC2(CC2)CN1C(=O)C1CC[N@H+]2CCOCC12)C1=CC(=O)[N-]O1	REAL300030192002	1	54	0.0	-77.37	416.51	2.93	-74.44
CN1CCOCC1CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030192024	0	53	0.0	-65.37	404.18	2.47	-62.90
C[N@@H+]1CCOCC1CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030192024	1	53	0.0	-65.35	404.15	2.48	-62.87
C[N@H+]1CCOCC1CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030192024	1	53	0.0	-65.35	404.15	2.48	-62.87
CC1=CC(N)=NC=C1C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030192073	0	48	0.0	-70.48	385.03	2.83	-67.65
CC1=CC(N)=[NH+]C=C1C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030192073	1	48	0.0	-70.48	385.03	2.83	-67.65
CC1(O)CC[N@H+](CC(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030192110	0	53	0.0	-69.29	416.75	1.19	-68.10
C[NH+]1CC(CC(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030192143	0	49	0.0	-71.40	392.77	3.60	-67.80
O=C(NCC1CC2(CC2)CN1C(=O)C1CC[N@@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300030192148	0	56	0.0	-71.68	431.17	5.51	-66.17
C[N@H+](CCO)CCC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030192183	0	52	0.0	-72.46	411.33	0.83	-71.63
C[N@@H+](CCO)CCC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030192183	1	52	0.0	-72.46	411.33	0.83	-71.63
C[N@@H+]1CCCCC1CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030192202	0	55	0.0	-74.95	420.97	4.98	-69.97
C[N@H+]1CCCCC1CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030192202	1	55	0.0	-74.95	420.97	4.98	-69.97
CC1=C2C=C(C(=O)N3CC4(CC4)CC3CNC(=O)C3=CC(=O)[N-]O3)C=CN2C=N1	REAL300030192221	0	50	0.0	-73.68	404.27	7.14	-66.54
CC1=C2C=C(C(=O)N3CC4(CC4)CC3CNC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030192221	1	50	0.0	-73.68	404.27	7.14	-66.54
CC1CCN1CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030192225	0	49	0.0	-68.85	392.60	3.85	-65.00
CC1CC[N@@H+]1CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030192225	1	49	0.0	-68.47	386.81	3.60	-64.87
CC1CC[N@H+]1CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030192225	1	49	0.0	-68.47	386.81	3.60	-64.87
C[NH+](C)CC=CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030192236	0	49	0.0	-75.49	396.60	3.96	-71.53
CC1(C)CN(CC(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030192248	0	52	0.0	-71.25	411.48	4.37	-66.88
CC1(C)C[NH+](CC(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030192248	1	52	0.0	-71.25	411.48	4.37	-66.88
CC1=C(C)NC(CCC(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300030192266	0	53	0.0	-66.54	431.56	4.06	-62.48
CC1=C(C)[NH+]=C(CCC(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)N1	REAL300030192266	1	53	0.0	-66.54	431.56	4.06	-62.48
CC1=C2C=C(C(=O)N3CC4(CC4)CC3CNC(=O)C3=CC(=O)[N-]O3)C=CN2C=N1	REAL300030192276	0	50	0.0	-73.68	404.27	7.14	-66.54
CC1=C2C=C(C(=O)N3CC4(CC4)CC3CNC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030192276	1	50	0.0	-73.68	404.27	7.14	-66.54
C[NH+](C)CCSCC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030192285	0	52	0.0	-77.71	428.22	4.73	-72.98
O=C(C[N@H+]1CCCC1CO)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030192309	0	53	0.0	-69.90	414.27	1.31	-68.59
CC[NH+](CC)CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030192313	0	51	0.0	-68.52	392.39	3.84	-64.68
C[N@H+](CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300030192324	0	53	0.0	-76.01	420.84	5.01	-71.00
O=C(CN1CCC1)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030192326	0	46	0.0	-70.73	371.62	3.23	-67.50
O=C(C[NH+]1CCC1)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030192326	1	46	0.0	-70.73	371.62	3.23	-67.50
CC[NH+](CC)CCC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030192365	0	54	0.0	-72.45	418.43	4.74	-67.71
O=C(NCC1CC2(CC2)CN1C(=O)C1CC2COCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300030192440	0	54	0.0	-69.72	418.18	3.03	-66.69
O=C(NCC1CC2(CC2)CN1C(=O)C1CC2COCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300030192440	1	54	0.0	-69.72	418.18	3.03	-66.69
CC(C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1)N1CCC1	REAL300030192453	0	49	0.0	-68.66	384.49	3.54	-65.12
CC(C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030192453	1	49	0.0	-68.66	384.49	3.54	-65.12
CCC(CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030192460	0	57	0.0	-57.79	431.89	6.23	-51.56
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030192517	0	52	0.0	-59.44	396.79	5.18	-54.26
CC1CN2CC[N@@H+]1CC2C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030192530	0	55	0.0	-77.02	410.05	1.35	-75.67
C[NH+](C)CC(O)CC(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030192550	0	52	0.0	-76.62	413.79	1.77	-74.85
C[NH+]1C2CCC1CC(C(=O)N1CC3(CC3)CC1CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030192553	0	56	0.0	-67.43	377.74	5.43	-62.00
C=CCC(C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030192585	0	52	0.0	-65.30	402.39	4.11	-61.19
O=C(NCC1CC2(CC2)CN1C(=O)C1CC2CCCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300030192592	0	56	0.0	-68.32	425.51	5.37	-62.95
O=C(NCC1CC2(CC2)CN1C(=O)C1CC2CCCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300030192592	1	56	0.0	-68.32	425.51	5.37	-62.95
C[NH+]1CCC(O)(CC(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030192601	0	56	0.0	-72.61	431.29	3.03	-69.58
CC1=C2C=C(C(=O)NCC3CC4(CC4)CN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=N1	REAL300030192680	0	50	0.0	-80.33	410.18	6.74	-73.59
CC1=C2C=C(C(=O)NCC3CC4(CC4)CN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030192680	1	50	0.0	-80.33	410.18	6.74	-73.59
C[NH+](C)CCSCC(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030192689	0	52	0.0	-81.78	424.72	4.58	-77.20
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1CC2COCC[N@@H+]2C1	REAL300030192697	0	54	0.0	-75.22	417.07	2.99	-72.23
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1CC2COCC[N@H+]2C1	REAL300030192697	1	54	0.0	-75.22	417.07	2.99	-72.23
C[N@@H+]1CCCC1C(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030192862	0	48	0.0	-71.97	389.93	-0.54	-72.51
C[N@H+]1CCCC1C(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030192862	1	48	0.0	-71.76	390.12	-0.62	-72.38
C[N@@H+]1CCOC(C(=O)NCC2=C(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)OC=N2)C1	REAL300030192886	1	49	0.0	-76.35	407.70	-0.61	-76.96
C[N@H+]1CCOC(C(=O)NCC2=C(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)OC=N2)C1	REAL300030192886	1	49	0.0	-82.66	407.47	-0.70	-83.36
CC1=[NH+]C=CN1CC(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193030	1	46	0.0	-66.04	400.00	0.47	-65.57
C[C@@H]1[C@H](C(=O)NCC2=C(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)OC=N2)CC[N@@H+]1C	REAL300030193057	0	51	0.0	-73.32	406.92	-0.10	-73.42
C[C@@H]1[C@H](C(=O)NCC2=C(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)OC=N2)CC[N@H+]1C	REAL300030193057	1	51	0.0	-72.12	413.17	0.18	-71.94
C[NH+](C)C1(C(=O)NCC2=C(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)OC=N2)CCC1	REAL300030193086	0	51	0.0	-75.60	402.55	0.47	-75.13
CC(C)[C@@H](C(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1)[NH+](C)C	REAL300030193088	0	53	0.0	-70.61	418.08	1.05	-69.56
C[N@H+](CC(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1)C1CCC1	REAL300030193102	0	51	0.0	-70.93	416.25	0.90	-70.03
C[N@@H+](CC(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1)C1CCC1	REAL300030193102	1	51	0.0	-70.92	416.15	0.90	-70.02
C[NH+]1CCC(C(=O)NCC2=C(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)OC=N2)CC1	REAL300030193137	0	51	0.0	-71.52	415.15	0.51	-71.01
C[N@@H+]1CCCCC1C(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193149	1	51	0.0	-67.16	403.01	0.33	-66.83
C[N@H+]1CCCCC1C(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193149	1	51	0.0	-67.85	402.96	0.36	-67.49
CC1=C[NH+]=CN1CC(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193180	1	46	0.0	-71.91	398.74	1.22	-70.69
C[N@@H+]1CCC(CC(=O)NCC2=C(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)OC=N2)C1	REAL300030193191	0	51	0.0	-71.15	417.12	0.49	-70.66
C[N@H+]1CCC(CC(=O)NCC2=C(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)OC=N2)C1	REAL300030193191	1	51	0.0	-71.53	416.64	0.51	-71.02
CCC(C(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1)[NH+](C)C	REAL300030193194	0	50	0.0	-68.33	404.20	0.02	-68.31
C[NH+](C)CCCCC(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193216	0	53	0.0	-72.35	435.93	1.00	-71.35
CC(C)C(C(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1)[NH+](C)C	REAL300030193221	0	53	0.0	-66.88	420.01	1.09	-65.79
CCC[N@H+](C)CCC(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193222	0	53	0.0	-75.11	431.62	0.89	-74.22
CCC[N@@H+](C)CCC(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193222	1	53	0.0	-75.11	431.62	0.87	-74.24
CCC[N@H+](C)CC(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193223	0	50	0.0	-72.97	409.26	0.35	-72.62
CCC[N@@H+](C)CC(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193223	1	50	0.0	-69.49	409.80	0.27	-69.22
C[N@@H+]1CCC[C@@H]1C(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193243	0	48	0.0	-71.92	389.93	-0.53	-72.45
C[N@H+]1CCC[C@@H]1C(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193243	1	48	0.0	-66.18	396.78	-0.08	-66.26
CC[NH+](CC)CC(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193258	0	50	0.0	-67.26	406.67	0.21	-67.05
C[NH+](C)CC1(C(=O)NCC2=C(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)OC=N2)CC1	REAL300030193316	0	51	0.0	-74.26	421.85	0.68	-73.58
C[NH+]1CCC(C(=O)NCC2=C(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)OC=N2)CC1	REAL300030193347	0	51	0.0	-71.52	415.15	0.51	-71.01
CC(C)[C@H](C(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1)[NH+](C)C	REAL300030193362	0	53	0.0	-70.55	416.71	0.82	-69.73
CC[N@H+](C)CCC(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193405	0	50	0.0	-74.42	410.12	0.12	-74.30
CC[N@@H+](C)CCC(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193405	1	50	0.0	-74.45	410.12	0.13	-74.32
CC1CCC[N@@H+]1CC(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193419	0	51	0.0	-69.42	408.64	0.30	-69.12
CC1CCC[N@H+]1CC(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193419	1	51	0.0	-66.71	415.73	0.63	-66.08
CC1CC[N@H+](CC(=O)NCC2=C(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)OC=N2)C1	REAL300030193420	0	51	0.0	-72.11	415.60	0.66	-71.45
CC1CC[N@@H+](CC(=O)NCC2=C(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)OC=N2)C1	REAL300030193420	1	51	0.0	-72.25	415.49	0.67	-71.58
CC[C@@H](C(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1)[NH+](C)C	REAL300030193423	0	50	0.0	-69.68	400.27	-0.07	-69.75
C[NH+](C)CC(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193466	0	44	0.0	-69.78	370.57	-1.15	-70.93
CN1C=C[N+](CC(=O)NCC2=C(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)OC=N2)=C1	REAL300030193467	0	46	0.0	-70.85	401.26	2.44	-68.41
C[N@@H+]1CCCC(C(=O)NCC2=C(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)OC=N2)C1	REAL300030193470	0	51	0.0	-70.17	414.94	0.54	-69.63
C[N@H+]1CCCC(C(=O)NCC2=C(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)OC=N2)C1	REAL300030193470	1	51	0.0	-65.20	408.87	0.68	-64.52
CC(C(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1)[NH+]1CCC1	REAL300030193481	1	48	0.0	-71.18	400.03	-0.14	-71.32
C[NH+](C)CC(C)(C)C(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193485	0	53	0.0	-73.05	419.87	0.66	-72.39
C[N@H+](CC(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1)C1CC1	REAL300030193492	0	48	0.0	-70.11	399.29	0.33	-69.78
C[N@@H+](CC(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1)C1CC1	REAL300030193492	1	48	0.0	-69.93	399.29	0.33	-69.60
C[NH+]1CC(CC(=O)NCC2=C(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)OC=N2)C1	REAL300030193504	0	48	0.0	-71.28	402.01	-0.32	-71.60
C[C@@H](C(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1)[NH+](C)C	REAL300030193518	0	47	0.0	-71.13	388.13	-0.69	-71.82
C[N@H+](CCO)CCC(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193561	0	51	0.0	-74.59	420.48	-3.09	-77.68
C[N@@H+](CCO)CCC(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193561	1	51	0.0	-73.84	420.46	-3.10	-76.94
C[C@@H](C(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1)[NH+](C)C	REAL300030193562	0	47	0.0	-71.13	388.13	-0.69	-71.82
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193565	1	51	0.0	-67.16	403.00	0.35	-66.81
C[N@H+]1CCCC[C@@H]1C(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193565	1	51	0.0	-65.49	412.31	0.52	-64.97
C[N@@H+]1CCC(=CC(=O)NCC2=C(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)OC=N2)C1	REAL300030193604	0	49	0.0	-73.84	408.21	0.47	-73.37
C[N@H+]1CCC(=CC(=O)NCC2=C(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)OC=N2)C1	REAL300030193604	1	49	0.0	-76.00	408.94	0.38	-75.62
C[NH+](C)CCOCC(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193616	0	51	0.0	-69.54	426.44	-0.09	-69.63
C[C@H](C(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1)[NH+](C)C	REAL300030193629	0	47	0.0	-71.44	388.20	-0.68	-72.12
C[N@H+](CCO)CC(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193660	1	48	0.0	-70.30	398.65	-3.72	-74.02
C[N@@H+](CCO)CC(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193660	1	48	0.0	-69.28	398.43	-3.73	-73.01
CC(CC(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1)C[NH+](C)C	REAL300030193674	0	53	0.0	-71.86	427.75	0.85	-71.01
CC[N@H+](C)CC(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193676	0	47	0.0	-72.62	387.76	-0.41	-73.03
CC[N@@H+](C)CC(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193676	1	47	0.0	-72.55	387.76	-0.41	-72.96
CC[N@H+](CC(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1)C1CC1	REAL300030193690	0	51	0.0	-69.17	415.27	0.72	-68.45
CC[N@@H+](CC(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1)C1CC1	REAL300030193690	1	51	0.0	-70.11	416.39	0.90	-69.21
CC[NH+](CC)CCC(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193697	0	53	0.0	-70.00	424.16	0.49	-69.51
C[NH+](C)CC=CC(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193713	0	48	0.0	-74.26	406.53	0.06	-74.20
COCC[N@H+](C)CC(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193722	1	51	0.0	-68.97	420.68	-1.32	-70.29
COCC[N@@H+](C)CC(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193722	1	51	0.0	-70.44	420.90	-1.31	-71.75
CC(CCC(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1)[NH+](C)C	REAL300030193735	0	53	0.0	-70.72	423.91	0.59	-70.13
C=CCC(C(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1)[NH+](C)C	REAL300030193770	0	51	0.0	-66.53	413.62	0.30	-66.23
O=C(C[NH+]1CC2CC2C1)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193778	1	49	0.0	-69.24	405.68	0.81	-68.43
CCCC(C(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1)[NH+](C)C	REAL300030193787	0	53	0.0	-69.52	425.82	1.22	-68.30
C[NH+](C)C(C)(C)C(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193789	0	50	0.0	-70.28	397.80	0.02	-70.26
C[N@@H+]1CCCCC1C(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193802	1	51	0.0	-67.16	403.01	0.33	-66.83
C[N@H+]1CCCCC1C(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193802	1	51	0.0	-67.85	402.96	0.36	-67.49
C[NH+](C)C1(C(=O)NCC2=C(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)OC=N2)CC1	REAL300030193849	0	48	0.0	-74.57	396.63	-0.42	-74.99
O=C(CC[NH+]1CCCC1)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193850	0	51	0.0	-73.83	418.36	0.64	-73.19
C[N@@H+]1CC2CC1(C(=O)NCC1=C(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)OC=N1)C2	REAL300030193866	1	49	0.0	-68.66	402.59	0.05	-68.61
C[N@H+]1CC2CC1(C(=O)NCC1=C(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)OC=N1)C2	REAL300030193866	1	49	0.0	-74.28	400.14	0.21	-74.07
CC(C[NH+](C)C)C(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193909	0	50	0.0	-70.32	408.97	0.12	-70.20
CC(C(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1)[NH+]1CC(C)C1	REAL300030193936	1	51	0.0	-70.11	417.65	0.67	-69.44
C[NH+](C)CC(O)CC(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193939	0	51	0.0	-74.22	423.27	-2.14	-76.36
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2=C(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)OC=N2)C1	REAL300030193976	0	51	0.0	-68.38	420.09	0.66	-67.72
CC(CC[NH+](C)C)C(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193979	0	53	0.0	-71.15	430.60	0.74	-70.41
NC(=[NH2+])SCC(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030194005	0	42	0.0	-70.79	378.49	-4.20	-74.99
CCC1C[NH+](CC(=O)NCC2=C(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)OC=N2)C1	REAL300030194075	1	51	0.0	-73.79	422.69	0.78	-73.01
C[N@@H+]1CCC[C@H]1C(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030194079	0	48	0.0	-69.83	395.93	-0.02	-69.85
C[N@H+]1CCC[C@H]1C(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030194079	1	48	0.0	-69.13	390.36	-0.53	-69.66
O=C(C[NH+]1CCCCC1)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030194088	1	51	0.0	-72.36	411.75	0.78	-71.58
CC1C(C(=O)NCC2=C(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)OC=N2)CC[N@@H+]1C	REAL300030194092	0	51	0.0	-69.31	411.73	0.08	-69.23
CC1C(C(=O)NCC2=C(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)OC=N2)CC[N@H+]1C	REAL300030194092	1	51	0.0	-67.10	411.73	0.05	-67.05
C[N@@H+]1CCCC1C(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030194277	0	48	0.0	-73.84	391.03	-0.48	-74.32
C[N@H+]1CCCC1C(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030194277	1	48	0.0	-71.24	395.75	-0.03	-71.27
C[N@@H+]1CCOC(C(=O)N2CC(C3=C(CNC(=O)C4=CC(=O)[N-]O4)N=CO3)C2)C1	REAL300030194303	1	49	0.0	-80.77	407.26	-0.62	-81.39
C[N@H+]1CCOC(C(=O)N2CC(C3=C(CNC(=O)C4=CC(=O)[N-]O4)N=CO3)C2)C1	REAL300030194303	1	49	0.0	-76.70	405.07	-0.64	-77.34
C[N@@H+]1CCC(CC(=O)N2CC(C3=C(CNC(=O)C4=CC(=O)[N-]O4)N=CO3)C2)C1	REAL300030194458	0	51	0.0	-78.12	418.49	0.64	-77.48
C[N@H+]1CCC(CC(=O)N2CC(C3=C(CNC(=O)C4=CC(=O)[N-]O4)N=CO3)C2)C1	REAL300030194458	1	51	0.0	-78.70	418.27	0.64	-78.06
CCC(C(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1)[NH+](C)C	REAL300030194461	0	50	0.0	-66.05	401.86	-0.07	-66.12
C[NH+](C)CCCCC(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030194477	0	53	0.0	-78.28	437.43	1.18	-77.10
CC(C)C(C(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1)[NH+](C)C	REAL300030194484	0	53	0.0	-73.62	416.73	0.74	-72.88
CCC[N@H+](C)CCC(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030194485	0	53	0.0	-71.75	434.07	0.93	-70.82
CCC[N@@H+](C)CCC(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030194485	1	53	0.0	-72.02	434.07	0.93	-71.09
CCC[N@H+](C)CC(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030194486	0	50	0.0	-73.92	411.27	0.44	-73.48
CCC[N@@H+](C)CC(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030194486	1	50	0.0	-74.03	411.26	0.37	-73.66
C[NH+](C)CC1(C(=O)N2CC(C3=C(CNC(=O)C4=CC(=O)[N-]O4)N=CO3)C2)CC1	REAL300030194532	0	51	0.0	-66.48	420.86	0.67	-65.81
CC[N@H+](C)CCC(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030194544	0	50	0.0	-71.14	412.57	0.18	-70.96
CC[N@@H+](C)CCC(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030194544	1	50	0.0	-71.34	412.57	0.17	-71.17
C[NH+]1CCC(C(=O)N2CC(C3=C(CNC(=O)C4=CC(=O)[N-]O4)N=CO3)C2)CC1	REAL300030194574	0	51	0.0	-75.14	414.80	0.40	-74.74
CC(C)[C@H](C(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1)[NH+](C)C	REAL300030194589	0	53	0.0	-71.73	414.66	0.52	-71.21
C[NH+](C)C1(C(=O)N2CC(C3=C(CNC(=O)C4=CC(=O)[N-]O4)N=CO3)C2)CCC1	REAL300030194626	0	51	0.0	-72.28	402.49	0.27	-72.01
CC1CCC[N@@H+]1CC(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030194656	0	51	0.0	-65.89	410.99	0.40	-65.49
CC1CCC[N@H+]1CC(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030194656	1	51	0.0	-66.10	411.13	0.32	-65.78
CC(C)[C@@H](C(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1)[NH+](C)C	REAL300030194671	0	53	0.0	-72.32	417.70	0.89	-71.43
CC1CC[N@H+](CC(=O)N2CC(C3=C(CNC(=O)C4=CC(=O)[N-]O4)N=CO3)C2)C1	REAL300030194679	0	51	0.0	-72.78	418.25	0.61	-72.17
CC1CC[N@@H+](CC(=O)N2CC(C3=C(CNC(=O)C4=CC(=O)[N-]O4)N=CO3)C2)C1	REAL300030194679	1	51	0.0	-72.84	417.38	0.71	-72.13
CC[C@@H](C(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1)[NH+](C)C	REAL300030194682	0	50	0.0	-65.99	403.14	-0.04	-66.03
CC1=[NH+]C=CN1CC(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030194729	1	46	0.0	-67.33	400.88	0.53	-66.80
CC1=C[NH+]=CN1CC(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030194764	1	46	0.0	-73.11	401.80	1.38	-71.73
C[C@@H]1[C@H](C(=O)N2CC(C3=C(CNC(=O)C4=CC(=O)[N-]O4)N=CO3)C2)CC[N@@H+]1C	REAL300030194766	0	51	0.0	-76.15	409.16	0.33	-75.82
C[C@@H]1[C@H](C(=O)N2CC(C3=C(CNC(=O)C4=CC(=O)[N-]O4)N=CO3)C2)CC[N@H+]1C	REAL300030194766	1	51	0.0	-77.61	414.65	0.26	-77.35
C[N@H+](CC(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1)C1CCC1	REAL300030194810	0	51	0.0	-67.54	418.58	0.94	-66.60
C[N@@H+](CC(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1)C1CCC1	REAL300030194810	1	51	0.0	-66.99	418.63	0.94	-66.05
C[NH+]1CCC(C(=O)N2CC(C3=C(CNC(=O)C4=CC(=O)[N-]O4)N=CO3)C2)CC1	REAL300030194819	0	51	0.0	-75.14	414.80	0.40	-74.74
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030194834	0	48	0.0	-69.45	391.41	-0.47	-69.92
C[N@H+]1CCC[C@@H]1C(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030194834	1	48	0.0	-71.19	395.73	-0.02	-71.21
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030194849	1	50	0.0	-71.59	417.73	0.74	-70.85
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030194849	1	50	0.0	-66.45	423.42	1.25	-65.20
C[N@@H+]1CCCCC1C(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030194888	0	51	0.0	-64.89	413.61	0.60	-64.29
C[N@H+]1CCCCC1C(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030194888	1	51	0.0	-71.08	413.69	0.61	-70.47
CC1C(C(=O)N2CC(C3=C(CNC(=O)C4=CC(=O)[N-]O4)N=CO3)C2)CC[N@@H+]1C	REAL300030194928	0	51	0.0	-74.87	412.29	0.18	-74.69
CC1C(C(=O)N2CC(C3=C(CNC(=O)C4=CC(=O)[N-]O4)N=CO3)C2)CC[N@H+]1C	REAL300030194928	1	51	0.0	-75.72	409.58	-0.01	-75.73
C[C@@H](C(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1)[NH+](C)C	REAL300030194974	0	47	0.0	-72.69	390.05	-0.63	-73.32
O=C(CC[NH+]1CCCC1)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030194993	0	51	0.0	-70.66	420.81	0.68	-69.98
C[N@H+](CCO)CC(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030194998	1	48	0.0	-75.05	400.11	-3.61	-78.66
C[N@@H+](CCO)CC(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030194998	1	48	0.0	-69.80	400.35	-3.61	-73.41
CC1C[NH+](CC(=O)N2CC(C3=C(CNC(=O)C4=CC(=O)[N-]O4)N=CO3)C2)C1	REAL300030195062	1	48	0.0	-74.15	403.36	0.13	-74.02
NC1=[NH+]C=CC=C1CC(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030195069	0	47	0.0	-70.76	406.28	-1.15	-71.91
CC[N@H+](C)CC(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030195110	0	47	0.0	-73.72	389.77	-0.30	-74.02
CC[N@@H+](C)CC(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030195110	1	47	0.0	-68.93	390.21	-0.38	-69.31
O=C(C[N@@H+]1CC2C=CC1C2)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030195131	1	50	0.0	-70.22	410.87	0.90	-69.32
O=C(C[N@H+]1CC2C=CC1C2)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030195131	1	50	0.0	-70.32	410.98	0.81	-69.51
COCC[N@H+](C)CC(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030195179	1	51	0.0	-69.83	422.60	-1.20	-71.03
COCC[N@@H+](C)CC(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030195179	1	51	0.0	-75.27	422.36	-1.20	-76.47
CC(CCC(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1)[NH+](C)C	REAL300030195181	0	53	0.0	-78.90	425.39	0.70	-78.20
CC[N@H+](CC(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1)C1CC1	REAL300030195189	0	51	0.0	-70.52	421.24	1.07	-69.45
CC[N@@H+](CC(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1)C1CC1	REAL300030195189	1	51	0.0	-71.02	418.11	1.05	-69.97
C[N@@H+]1CC2CC1(C(=O)N1CC(C3=C(CNC(=O)C4=CC(=O)[N-]O4)N=CO3)C1)C2	REAL300030195206	0	49	0.0	-76.42	399.43	0.22	-76.20
C[N@H+]1CC2CC1(C(=O)N1CC(C3=C(CNC(=O)C4=CC(=O)[N-]O4)N=CO3)C1)C2	REAL300030195206	1	49	0.0	-67.48	401.26	0.11	-67.37
CC(C[NH+](C)C)C(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030195219	0	50	0.0	-77.90	411.93	0.18	-77.72
C[NH+](C)C1(C(=O)N2CC(C3=C(CNC(=O)C4=CC(=O)[N-]O4)N=CO3)C2)CC1	REAL300030195225	0	48	0.0	-72.75	397.85	-0.06	-72.81
C[C@H](C(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1)[NH+](C)C	REAL300030195238	0	47	0.0	-72.99	390.16	-0.59	-73.58
CC[N@@H+]1CCC1C(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030195241	1	48	0.0	-67.10	396.81	-0.25	-67.35
CC[N@H+]1CCC1C(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030195241	1	48	0.0	-72.57	395.30	-0.42	-72.99
NC1=CC=[NH+]C=C1C(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030195263	0	44	0.0	-76.74	379.88	-3.00	-79.74
CCCC(C(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1)[NH+](C)C	REAL300030195268	0	53	0.0	-73.90	424.89	0.88	-73.02
C[NH+](C)C(C)(C)C(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030195271	0	50	0.0	-76.93	393.36	0.05	-76.88
CC(CC[NH+](C)C)C(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030195283	0	53	0.0	-75.49	434.23	0.76	-74.73
O=C(C[NH+]1CC2CC2C1)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030195363	0	49	0.0	-69.06	408.20	0.83	-68.23
C[N@@H+]1CCCCC1C(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030195375	0	51	0.0	-64.89	413.61	0.60	-64.29
C[N@H+]1CCCCC1C(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030195375	1	51	0.0	-71.08	413.69	0.61	-70.47
C[N@@H+]1CCC(=CC(=O)N2CC(C3=C(CNC(=O)C4=CC(=O)[N-]O4)N=CO3)C2)C1	REAL300030195411	0	49	0.0	-74.52	409.98	0.60	-73.92
C[N@H+]1CCC(=CC(=O)N2CC(C3=C(CNC(=O)C4=CC(=O)[N-]O4)N=CO3)C2)C1	REAL300030195411	1	49	0.0	-79.30	409.79	0.53	-78.77
O=C(CNC1=CC=[NH+]C=C1)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030195413	0	47	0.0	-75.60	407.76	-1.70	-77.30
CCC1C[NH+](CC(=O)N2CC(C3=C(CNC(=O)C4=CC(=O)[N-]O4)N=CO3)C2)C1	REAL300030195447	1	51	0.0	-75.06	424.72	0.88	-74.18
C[N@@H+]1CCC[C@H]1C(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030195453	0	48	0.0	-65.89	397.13	-0.08	-65.97
C[N@H+]1CCC[C@H]1C(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030195453	1	48	0.0	-72.49	390.94	-0.48	-72.97
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(C3=C(CNC(=O)C4=CC(=O)[N-]O4)N=CO3)C2)C1	REAL300030195506	0	51	0.0	-69.09	421.89	0.76	-68.33
C[NH+](C)CCOCC(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030195530	0	51	0.0	-74.57	427.91	0.06	-74.51
O=C(C[NH+]1CCCCC1)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030195576	0	51	0.0	-73.45	413.77	0.90	-72.55
C[N@@H+]1CCCC(C(=O)N2CC(C3=C(CNC(=O)C4=CC(=O)[N-]O4)N=CO3)C2)C1	REAL300030195577	0	51	0.0	-65.72	408.48	0.55	-65.17
C[N@H+]1CCCC(C(=O)N2CC(C3=C(CNC(=O)C4=CC(=O)[N-]O4)N=CO3)C2)C1	REAL300030195577	1	51	0.0	-75.84	413.95	0.42	-75.42
CN1C=C[N+](CC(=O)N2CC(C3=C(CNC(=O)C4=CC(=O)[N-]O4)N=CO3)C2)=C1	REAL300030195578	0	46	0.0	-72.22	403.25	2.47	-69.75
C[N@H+](CC(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1)C1CC1	REAL300030195590	0	48	0.0	-66.78	401.76	0.37	-66.41
C[N@@H+](CC(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1)C1CC1	REAL300030195590	1	48	0.0	-66.42	401.76	0.36	-66.06
CC(CC(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1)C[NH+](C)C	REAL300030195601	0	53	0.0	-77.18	429.08	1.06	-76.12
CC1=CC(N)=[NH+]C=C1C(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030195637	1	47	0.0	-77.87	401.57	-1.72	-79.59
C[NH+]1CC(CC(=O)N2CC(C3=C(CNC(=O)C4=CC(=O)[N-]O4)N=CO3)C2)C1	REAL300030195666	0	48	0.0	-76.64	403.33	-0.22	-76.86
C[NH+](C)CC(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030195673	0	44	0.0	-74.55	372.04	-1.04	-75.59
C[N@H+](CCO)CCC(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030195684	0	51	0.0	-71.69	422.93	-3.05	-74.74
C[N@@H+](CCO)CCC(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030195684	1	51	0.0	-75.71	422.47	-2.97	-78.68
C[C@@H](C(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1)[NH+](C)C	REAL300030195685	0	47	0.0	-72.69	390.05	-0.63	-73.32
CC(C(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1)[NH+]1CC(C)C1	REAL300030195703	0	51	0.0	-64.26	423.20	0.61	-63.65
CC1CC[N@@H+]1CC(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030195704	1	48	0.0	-67.39	398.07	-0.14	-67.53
CC1CC[N@H+]1CC(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030195704	1	48	0.0	-72.93	403.25	0.07	-72.86
C[NH+](C)CC=CC(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030195707	0	48	0.0	-79.67	407.76	0.22	-79.45
CC1(C)C[NH+](CC(=O)N2CC(C3=C(CNC(=O)C4=CC(=O)[N-]O4)N=CO3)C2)C1	REAL300030195711	1	51	0.0	-74.24	422.42	0.61	-73.63
CC[NH+](CC)CC(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030195733	0	50	0.0	-71.99	408.16	0.38	-71.61
O=C(C[NH+]1CCC1)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030195739	1	45	0.0	-69.72	382.76	-0.59	-70.31
CC[NH+](CC)CCC(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030195761	0	53	0.0	-75.93	425.64	0.60	-75.33
CC(C(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1)[NH+]1CCC1	REAL300030195796	1	48	0.0	-70.19	394.16	-0.15	-70.34
C[NH+](C)CC(C)(C)C(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030195801	0	53	0.0	-70.04	415.81	0.24	-69.80
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030195823	0	51	0.0	-67.61	401.36	0.14	-67.47
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030195823	1	51	0.0	-70.03	413.45	0.54	-69.49
C[NH+](C)CC(O)CC(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030195835	0	51	0.0	-80.93	424.65	-1.96	-82.89
C=CCC(C(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1)[NH+](C)C	REAL300030195851	0	51	0.0	-65.04	415.86	0.43	-64.61
C[N@@H+]1CCCC1C(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196057	0	55	0.0	-77.54	395.69	3.93	-73.61
C[N@H+]1CCCC1C(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196057	1	55	0.0	-77.82	395.98	3.87	-73.95
C[N@@H+]1CCOC(C(=O)NCC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)C1	REAL300030196081	1	56	0.0	-93.14	413.12	3.81	-89.33
C[N@H+]1CCOC(C(=O)NCC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)C1	REAL300030196081	1	56	0.0	-85.41	405.92	3.74	-81.67
CC1=[NH+]C=CN1CC(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196221	1	53	0.0	-73.16	405.17	5.03	-68.13
C[C@@H]1[C@H](C(=O)NCC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)CC[N@@H+]1C	REAL300030196246	0	58	0.0	-83.20	412.25	4.30	-78.90
C[C@@H]1[C@H](C(=O)NCC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)CC[N@H+]1C	REAL300030196246	1	58	0.0	-76.86	417.71	4.95	-71.91
C[NH+](C)C1(C(=O)NCC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)CCC1	REAL300030196275	0	58	0.0	-71.60	409.87	4.82	-66.78
CC(C)[C@@H](C(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)[NH+](C)C	REAL300030196277	0	60	0.0	-73.44	419.11	4.83	-68.61
C[N@H+](CC(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)C1CCC1	REAL300030196291	0	58	0.0	-74.15	421.96	5.40	-68.75
C[N@@H+](CC(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)C1CCC1	REAL300030196291	1	58	0.0	-73.89	421.86	5.39	-68.50
C[NH+]1CCC(C(=O)NCC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)CC1	REAL300030196324	0	58	0.0	-83.73	420.31	5.05	-78.68
C[N@@H+]1CCCCC1C(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196335	0	58	0.0	-74.28	417.69	4.95	-69.33
C[N@H+]1CCCCC1C(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196335	1	58	0.0	-70.76	417.58	5.03	-65.73
CC1=C[NH+]=CN1CC(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196361	1	53	0.0	-76.24	405.28	5.76	-70.48
C[N@@H+]1CCC(CC(=O)NCC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)C1	REAL300030196371	0	58	0.0	-80.97	422.36	5.02	-75.95
C[N@H+]1CCC(CC(=O)NCC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)C1	REAL300030196371	1	58	0.0	-79.26	422.09	5.05	-74.21
CCC(C(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)[NH+](C)C	REAL300030196374	0	57	0.0	-74.06	405.53	4.40	-69.66
C[NH+](C)CCCCC(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196393	0	60	0.0	-79.81	441.02	5.53	-74.28
CC(C)C(C(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)[NH+](C)C	REAL300030196398	0	60	0.0	-76.59	426.53	5.41	-71.18
CCC[N@H+](C)CCC(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196399	0	60	0.0	-79.26	437.11	5.38	-73.88
CCC[N@@H+](C)CCC(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196399	1	60	0.0	-79.18	437.25	5.34	-73.84
CCC[N@H+](C)CC(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196400	0	57	0.0	-76.29	414.97	4.82	-71.47
CCC[N@@H+](C)CC(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196400	1	57	0.0	-76.42	414.75	4.83	-71.59
C[N@@H+]1CCC[C@@H]1C(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196418	0	55	0.0	-73.06	395.74	4.03	-69.03
C[N@H+]1CCC[C@@H]1C(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196418	1	55	0.0	-73.42	400.71	4.51	-68.91
CC[NH+](CC)CC(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196433	0	57	0.0	-74.31	407.20	4.46	-69.85
C[NH+](C)CC1(C(=O)NCC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)CC1	REAL300030196491	0	58	0.0	-76.58	426.82	5.19	-71.39
C[NH+]1CCC(C(=O)NCC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)CC1	REAL300030196518	0	58	0.0	-83.73	420.31	5.05	-78.68
CC(C)[C@H](C(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)[NH+](C)C	REAL300030196533	0	60	0.0	-76.14	425.71	5.50	-70.64
CC[N@H+](C)CCC(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196572	0	57	0.0	-78.29	415.75	4.60	-73.69
CC[N@@H+](C)CCC(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196572	1	57	0.0	-78.37	415.75	4.60	-73.77
CC1CCC[N@@H+]1CC(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196585	0	58	0.0	-73.33	421.80	5.01	-68.32
CC1CCC[N@H+]1CC(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196585	1	58	0.0	-73.51	420.97	5.22	-68.29
CC1CC[N@H+](CC(=O)NCC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)C1	REAL300030196586	0	58	0.0	-76.25	421.20	5.09	-71.16
CC1CC[N@@H+](CC(=O)NCC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)C1	REAL300030196586	1	58	0.0	-76.25	421.02	5.10	-71.15
CC[C@@H](C(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)[NH+](C)C	REAL300030196589	0	57	0.0	-74.00	406.15	4.44	-69.56
C[NH+](C)CC(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196631	0	51	0.0	-76.52	375.65	3.38	-73.14
CN1C=C[N+](CC(=O)NCC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)=C1	REAL300030196632	0	53	0.0	-73.09	406.75	6.93	-66.16
C[N@@H+]1CCCC(C(=O)NCC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)C1	REAL300030196635	0	58	0.0	-67.72	413.97	5.20	-62.52
C[N@H+]1CCCC(C(=O)NCC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)C1	REAL300030196635	1	58	0.0	-67.40	413.97	5.20	-62.20
CC(C(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)[NH+]1CCC1	REAL300030196645	1	55	0.0	-75.79	405.92	4.36	-71.43
C[NH+](C)CC(C)(C)C(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196649	0	60	0.0	-68.24	424.06	5.09	-63.15
C[N@H+](CC(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)C1CC1	REAL300030196656	0	55	0.0	-72.89	404.77	4.82	-68.07
C[N@@H+](CC(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)C1CC1	REAL300030196656	1	55	0.0	-73.15	404.78	4.82	-68.33
C[NH+]1CC(CC(=O)NCC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)C1	REAL300030196668	0	55	0.0	-76.36	407.10	4.21	-72.15
C[C@@H](C(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)[NH+](C)C	REAL300030196681	0	54	0.0	-75.81	393.51	3.84	-71.97
C[N@H+](CCO)CCC(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196723	0	58	0.0	-78.49	426.10	1.38	-77.11
C[N@@H+](CCO)CCC(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196723	1	58	0.0	-77.85	425.92	1.41	-76.44
C[C@@H](C(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)[NH+](C)C	REAL300030196724	0	54	0.0	-75.81	393.51	3.84	-71.97
C[N@@H+]1CCCC[C@@H]1C(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196727	0	58	0.0	-74.84	408.32	4.79	-70.05
C[N@H+]1CCCC[C@@H]1C(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196727	1	58	0.0	-74.38	417.56	4.93	-69.45
C[N@@H+]1CCC(=CC(=O)NCC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)C1	REAL300030196765	0	56	0.0	-79.63	413.54	5.01	-74.62
C[N@H+]1CCC(=CC(=O)NCC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)C1	REAL300030196765	1	56	0.0	-79.95	414.58	4.87	-75.08
C[NH+](C)CCOCC(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196776	0	58	0.0	-77.16	431.47	4.46	-72.70
C[C@H](C(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)[NH+](C)C	REAL300030196787	0	54	0.0	-73.67	393.69	3.81	-69.86
CC1C[NH+](CC(=O)NCC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)C1	REAL300030196805	1	55	0.0	-76.48	406.89	4.49	-71.99
C[N@H+](CCO)CC(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196818	1	55	0.0	-77.65	403.61	0.85	-76.80
C[N@@H+](CCO)CC(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196818	1	55	0.0	-77.21	403.83	0.84	-76.37
CC(CC(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)C[NH+](C)C	REAL300030196830	0	60	0.0	-84.21	432.72	5.40	-78.81
CC[N@H+](C)CC(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196832	0	54	0.0	-75.99	393.25	4.08	-71.91
CC[N@@H+](C)CC(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196832	1	54	0.0	-76.07	393.26	4.08	-71.99
CC[N@H+](CC(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)C1CC1	REAL300030196845	0	58	0.0	-72.42	424.12	5.45	-66.97
CC[N@@H+](CC(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)C1CC1	REAL300030196845	1	58	0.0	-73.61	421.90	5.44	-68.17
CC[NH+](CC)CCC(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196852	0	60	0.0	-77.44	433.62	5.31	-72.13
C[NH+](C)CC=CC(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196868	0	55	0.0	-80.64	412.88	4.64	-76.00
COCC[N@H+](C)CC(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196877	1	58	0.0	-77.15	426.08	3.24	-73.91
COCC[N@@H+](C)CC(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196877	1	58	0.0	-77.99	425.86	3.25	-74.74
CC(CCC(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)[NH+](C)C	REAL300030196889	0	60	0.0	-76.04	433.05	5.13	-70.91
CC[N@@H+]1CCC1C(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196895	1	55	0.0	-74.76	400.42	4.07	-70.69
CC[N@H+]1CCC1C(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196895	1	55	0.0	-76.18	407.35	4.37	-71.81
C=CCC(C(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)[NH+](C)C	REAL300030196923	0	58	0.0	-73.67	418.93	4.92	-68.75
O=C(C[NH+]1CC2CC2C1)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196931	0	56	0.0	-76.68	410.85	5.31	-71.37
CCCC(C(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)[NH+](C)C	REAL300030196940	0	60	0.0	-75.06	427.03	5.17	-69.89
C[NH+](C)C(C)(C)C(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196942	0	57	0.0	-34.17	391.34	5.68	-28.49
C[N@@H+]1CCCCC1C(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196954	0	58	0.0	-74.28	417.69	4.95	-69.33
C[N@H+]1CCCCC1C(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196954	1	58	0.0	-70.76	417.58	5.03	-65.73
C[NH+](C)C1(C(=O)NCC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)CC1	REAL300030196996	0	55	0.0	-82.70	399.91	4.25	-78.45
O=C(CC[NH+]1CCCC1)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196997	0	58	0.0	-77.93	423.85	5.16	-72.77
C[N@@H+]1CC2CC1(C(=O)NCC13CCN(C(=O)C4=CC(=O)[N-]O4)C1CCCC3)C2	REAL300030197010	0	56	0.0	-81.96	405.89	4.75	-77.21
C[N@H+]1CC2CC1(C(=O)NCC13CCN(C(=O)C4=CC(=O)[N-]O4)C1CCCC3)C2	REAL300030197010	1	56	0.0	-83.62	405.93	4.71	-78.91
CC(C[NH+](C)C)C(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030197048	0	57	0.0	-77.62	414.05	4.69	-72.93
CC(C(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)[NH+]1CC(C)C1	REAL300030197073	1	58	0.0	-73.28	424.85	5.06	-68.22
CC1CC[N@@H+]1CC(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030197074	1	55	0.0	-73.90	401.31	4.22	-69.68
CC1CC[N@H+]1CC(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030197074	1	55	0.0	-75.84	407.11	4.42	-71.42
C[NH+](C)CC(O)CC(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030197076	0	58	0.0	-82.13	428.26	2.44	-79.69
C[NH+](C)[C@H]1C[C@H](C(=O)NCC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)C1	REAL300030197111	0	58	0.0	-75.71	425.23	5.11	-70.60
CC(CC[NH+](C)C)C(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030197113	0	60	0.0	-78.12	435.70	5.27	-72.85
NC(=[NH2+])SCC(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030197137	0	49	0.0	-79.64	384.18	0.26	-79.38
CCC1C[NH+](CC(=O)NCC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)C1	REAL300030197205	1	58	0.0	-77.25	428.28	5.26	-71.99
C[N@@H+]1CCC[C@H]1C(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030197209	0	55	0.0	-73.56	401.97	4.44	-69.12
C[N@H+]1CCC[C@H]1C(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030197209	1	55	0.0	-77.75	395.51	3.97	-73.78
O=C(C[NH+]1CCCCC1)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030197218	0	58	0.0	-76.46	417.62	5.31	-71.15
CC1C(C(=O)NCC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)CC[N@@H+]1C	REAL300030197222	0	58	0.0	-77.03	421.72	4.95	-72.08
CC1C(C(=O)NCC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)CC[N@H+]1C	REAL300030197222	1	58	0.0	-83.66	412.32	4.35	-79.31
C[N@@H+]1CCCC1C(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030197404	0	55	0.0	-65.68	403.82	4.41	-61.27
C[N@H+]1CCCC1C(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030197404	1	55	0.0	-63.12	396.95	3.98	-59.14
C[N@@H+]1CCC(CC(=O)N2CCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCCC23)C1	REAL300030197579	0	58	0.0	-69.25	425.30	5.11	-64.14
C[N@H+]1CCC(CC(=O)N2CCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCCC23)C1	REAL300030197579	1	58	0.0	-68.67	424.68	5.11	-63.56
CCC(C(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12)[NH+](C)C	REAL300030197582	0	57	0.0	-66.10	406.63	4.51	-61.59
C[NH+](C)CCCCC(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030197596	0	60	0.0	-70.26	443.77	5.63	-64.63
CCC[N@H+](C)CCC(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030197602	0	60	0.0	-68.93	439.90	5.54	-63.39
CCC[N@@H+](C)CCC(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030197602	1	60	0.0	-68.99	440.03	5.51	-63.48
CCC[N@H+](C)CC(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030197603	0	57	0.0	-66.64	417.66	4.88	-61.76
CCC[N@@H+](C)CC(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030197603	1	57	0.0	-66.49	417.53	4.98	-61.51
C[NH+](C)CC1(C(=O)N2CCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCCC23)CC1	REAL300030197637	0	58	0.0	-61.97	424.83	5.08	-56.89
CC[N@H+](C)CCC(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030197644	0	57	0.0	-68.22	418.40	4.80	-63.42
CC[N@@H+](C)CCC(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030197644	1	57	0.0	-68.40	418.40	4.81	-63.59
C[NH+]1CCC(C(=O)N2CCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCCC23)CC1	REAL300030197665	0	58	0.0	-70.54	423.07	5.01	-65.53
CC1CCC[N@@H+]1CC(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030197719	0	58	0.0	-63.56	417.23	4.92	-58.64
CC1CCC[N@H+]1CC(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030197719	1	58	0.0	-62.75	424.37	5.31	-57.44
CC1CC[N@H+](CC(=O)N2CCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCCC23)C1	REAL300030197737	0	58	0.0	-65.65	424.83	5.18	-60.47
CC1CC[N@@H+](CC(=O)N2CCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCCC23)C1	REAL300030197737	1	58	0.0	-65.64	423.90	5.23	-60.41
CC[C@@H](C(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12)[NH+](C)C	REAL300030197739	0	57	0.0	-62.52	406.21	4.43	-58.09
CC1=[NH+]C=CN1CC(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030197778	1	53	0.0	-62.77	407.75	5.10	-57.67
CC1=C[NH+]=CN1CC(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030197800	1	53	0.0	-66.83	408.14	5.90	-60.93
C[C@@H]1[C@H](C(=O)N2CCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCCC23)CC[N@@H+]1C	REAL300030197802	0	58	0.0	-71.05	414.61	4.85	-66.20
C[C@@H]1[C@H](C(=O)N2CCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCCC23)CC[N@H+]1C	REAL300030197802	1	58	0.0	-67.10	420.17	4.69	-62.41
C[N@H+](CC(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12)C1CCC1	REAL300030197836	0	58	0.0	-64.85	424.64	5.43	-59.42
C[N@@H+](CC(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12)C1CCC1	REAL300030197836	1	58	0.0	-64.41	424.54	5.55	-58.86
C[NH+]1CCC(C(=O)N2CCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCCC23)CC1	REAL300030197845	0	58	0.0	-70.54	423.07	5.01	-65.53
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030197856	0	55	0.0	-67.60	396.97	3.96	-63.64
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030197856	1	55	0.0	-64.64	403.85	4.43	-60.21
CC1C(C(=O)N2CCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCCC23)CC[N@@H+]1C	REAL300030197928	0	58	0.0	-72.49	414.18	4.41	-68.08
CC1C(C(=O)N2CCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCCC23)CC[N@H+]1C	REAL300030197928	1	58	0.0	-67.21	419.76	4.76	-62.45
C[C@@H](C(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12)[NH+](C)C	REAL300030197965	0	54	0.0	-64.11	394.52	3.80	-60.31
O=C(CC[NH+]1CCCC1)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030197984	0	58	0.0	-68.25	425.17	5.17	-63.08
C[N@H+](CCO)CC(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030197989	1	55	0.0	-66.52	406.51	0.91	-65.61
C[N@@H+](CCO)CC(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030197989	1	55	0.0	-66.25	406.26	0.97	-65.28
CC1C[NH+](CC(=O)N2CCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCCC23)C1	REAL300030198041	1	55	0.0	-67.34	408.49	4.71	-62.63
NC1=[NH+]C=CC=C1CC(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030198045	0	54	0.0	-62.03	412.63	3.38	-58.65
CC[N@H+](C)CC(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030198074	0	54	0.0	-66.37	396.03	4.24	-62.13
CC[N@@H+](C)CC(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030198074	1	54	0.0	-66.23	396.05	4.15	-62.08
COCC[N@H+](C)CC(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030198125	1	58	0.0	-67.57	428.64	3.41	-64.16
COCC[N@@H+](C)CC(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030198125	1	58	0.0	-66.64	428.76	3.30	-63.34
CC(CCC(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12)[NH+](C)C	REAL300030198127	0	60	0.0	-71.89	432.05	5.23	-66.66
CC[N@H+](CC(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12)C1CC1	REAL300030198132	0	58	0.0	-64.30	427.68	5.49	-58.81
CC[N@@H+](CC(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12)C1CC1	REAL300030198132	1	58	0.0	-63.66	424.78	5.44	-58.22
CC(C[NH+](C)C)C(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030198155	0	57	0.0	-67.13	417.24	4.60	-62.53
C[C@H](C(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12)[NH+](C)C	REAL300030198169	0	54	0.0	-65.30	395.85	3.88	-61.42
CC[N@@H+]1CCC1C(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030198172	1	55	0.0	-62.76	401.36	4.10	-58.66
CC[N@H+]1CCC1C(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030198172	1	55	0.0	-65.32	410.12	4.57	-60.75
NC1=CC=[NH+]C=C1C(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030198193	0	51	0.0	-69.75	386.10	1.49	-68.26
CCCC(C(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12)[NH+](C)C	REAL300030198198	0	60	0.0	-66.82	427.84	5.14	-61.68
CC(CC[NH+](C)C)C(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030198210	0	60	0.0	-69.51	434.59	5.19	-64.32
O=C(C[NH+]1CC2CC2C1)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030198280	0	56	0.0	-65.26	414.07	5.46	-59.80
C[N@@H+]1CCCCC1C(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030198289	0	58	0.0	-64.86	419.19	5.06	-59.80
C[N@H+]1CCCCC1C(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030198289	1	58	0.0	-68.34	410.87	4.73	-63.61
C[N@@H+]1CCC(=CC(=O)N2CCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCCC23)C1	REAL300030198313	0	56	0.0	-71.59	416.51	4.98	-66.61
C[N@H+]1CCC(=CC(=O)N2CCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCCC23)C1	REAL300030198313	1	56	0.0	-70.83	416.50	4.99	-65.84
O=C(CNC1=CC=[NH+]C=C1)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030198314	0	54	0.0	-67.46	414.12	2.76	-64.70
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030198337	0	55	0.0	-63.12	400.28	4.32	-58.80
C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030198337	1	55	0.0	-63.16	397.08	3.96	-59.20
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCCC23)C1	REAL300030198382	0	58	0.0	-64.86	428.00	5.31	-59.55
C[NH+](C)CCOCC(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030198402	0	58	0.0	-68.94	434.39	4.51	-64.43
O=C(C[NH+]1CCCCC1)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030198435	0	58	0.0	-65.74	420.04	5.35	-60.39
C[N@@H+]1CCCC(C(=O)N2CCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCCC23)C1	REAL300030198436	0	58	0.0	-60.88	413.01	5.11	-55.77
C[N@H+]1CCCC(C(=O)N2CCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCCC23)C1	REAL300030198436	1	58	0.0	-67.86	423.07	4.96	-62.90
CN1C=C[N+](CC(=O)N2CCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCCC23)=C1	REAL300030198437	0	53	0.0	-65.50	409.53	7.08	-58.42
C[N@H+](CC(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12)C1CC1	REAL300030198446	0	55	0.0	-63.74	407.70	4.93	-58.81
C[N@@H+](CC(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12)C1CC1	REAL300030198446	1	55	0.0	-64.05	407.70	4.97	-59.08
CC(CC(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12)C[NH+](C)C	REAL300030198456	0	60	0.0	-69.89	435.62	5.55	-64.34
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030198481	1	54	0.0	-70.21	407.11	2.80	-67.41
C[NH+]1CC(CC(=O)N2CCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCCC23)C1	REAL300030198506	0	55	0.0	-67.13	409.88	4.36	-62.77
C[NH+](C)CC(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030198513	0	51	0.0	-67.05	378.52	3.47	-63.58
C[N@H+](CCO)CCC(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030198523	0	58	0.0	-67.75	428.89	1.53	-66.22
C[N@@H+](CCO)CCC(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030198523	1	58	0.0	-67.41	428.73	1.59	-65.82
C[C@@H](C(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12)[NH+](C)C	REAL300030198524	0	54	0.0	-64.11	394.52	3.80	-60.31
CC(C(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12)[NH+]1CC(C)C1	REAL300030198534	0	58	0.0	-63.87	428.72	5.05	-58.82
CC1CC[N@@H+]1CC(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030198535	1	55	0.0	-65.67	409.69	4.60	-61.07
CC1CC[N@H+]1CC(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030198535	1	55	0.0	-65.98	409.93	4.56	-61.42
C[NH+](C)CC=CC(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030198537	0	55	0.0	-70.61	414.76	4.79	-65.82
CC1(C)C[NH+](CC(=O)N2CCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCCC23)C1	REAL300030198540	1	58	0.0	-66.73	428.70	5.13	-61.60
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C[NH+](C)C1(C(=O)N2CCC3=CC=CC=C3C(NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300030200196	0	55	0.0	-72.59	400.73	6.71	-65.88
CC1CCC[N@@H+]1CC(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030200218	0	55	0.0	-63.67	416.11	7.44	-56.23
CC1CCC[N@H+]1CC(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030200218	1	55	0.0	-64.13	416.34	7.54	-56.59
CC1CC[N@H+](CC(=O)N2CCC3=CC=CC=C3C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030200235	0	55	0.0	-65.09	416.52	7.43	-57.66
CC1CC[N@@H+](CC(=O)N2CCC3=CC=CC=C3C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030200235	1	55	0.0	-65.37	417.18	7.49	-57.88
CC[C@@H](C(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030200237	0	54	0.0	-61.10	396.74	6.59	-54.51
CC1=[NH+]C=CN1CC(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030200272	1	50	0.0	-62.93	400.55	7.37	-55.56
CC1=C[NH+]=CN1CC(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030200290	1	50	0.0	-66.93	400.88	8.10	-58.83
C[C@@H]1[C@H](C(=O)N2CCC3=CC=CC=C3C(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030200291	0	55	0.0	-67.80	398.46	6.75	-61.05
C[C@@H]1[C@H](C(=O)N2CCC3=CC=CC=C3C(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030200291	1	55	0.0	-70.93	412.43	6.94	-63.99
C[N@H+](CC(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030200318	0	55	0.0	-65.02	417.23	7.76	-57.26
C[N@@H+](CC(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030200318	1	55	0.0	-63.61	417.38	7.77	-55.84
C[NH+]1CCC(C(=O)N2CCC3=CC=CC=C3C(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030200323	0	55	0.0	-66.56	408.56	8.02	-58.54
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030200335	0	52	0.0	-60.66	387.49	6.38	-54.28
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030200335	1	52	0.0	-61.81	393.71	6.64	-55.17
C[N@@H+]1CCCCC1C(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030200375	0	55	0.0	-67.96	387.22	6.59	-61.37
C[N@H+]1CCCCC1C(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030200375	1	55	0.0	-59.00	410.34	7.30	-51.70
CC1C(C(=O)N2CCC3=CC=CC=C3C(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030200403	0	55	0.0	-60.79	409.90	7.02	-53.77
CC1C(C(=O)N2CCC3=CC=CC=C3C(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030200403	1	55	0.0	-66.66	411.56	6.93	-59.73
C[C@@H](C(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030200440	0	51	0.0	-66.43	386.18	6.07	-60.36
O=C(CC[NH+]1CCCC1)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030200457	0	55	0.0	-66.96	419.46	7.55	-59.41
C[N@H+](CCO)CC(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030200462	1	52	0.0	-65.60	399.22	3.20	-62.40
C[N@@H+](CCO)CC(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030200462	1	52	0.0	-67.08	399.24	3.20	-63.88
CC1C[NH+](CC(=O)N2CCC3=CC=CC=C3C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030200500	1	52	0.0	-66.40	402.42	6.88	-59.52
CC[N@H+](C)CC(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030200529	0	51	0.0	-66.17	388.86	6.45	-59.72
CC[N@@H+](C)CC(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030200529	1	51	0.0	-65.81	388.88	6.45	-59.36
CC[N@H+](CC(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030200582	0	55	0.0	-63.02	419.74	7.79	-55.23
CC[N@@H+](CC(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030200582	1	55	0.0	-64.02	417.17	7.78	-56.24
C[N@@H+]1CC2CC1(C(=O)N1CCC3=CC=CC=C3C(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030200594	0	53	0.0	-61.38	386.14	6.90	-54.48
C[N@H+]1CC2CC1(C(=O)N1CCC3=CC=CC=C3C(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030200594	1	53	0.0	-71.12	398.38	6.81	-64.31
CC(C[NH+](C)C)C(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030200603	0	54	0.0	-67.39	406.68	6.84	-60.55
C[NH+](C)C1(C(=O)N2CCC3=CC=CC=C3C(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030200609	0	52	0.0	-71.61	393.19	6.41	-65.20
C[C@H](C(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030200618	0	51	0.0	-62.52	386.55	6.10	-56.42
CC[N@@H+]1CCC1C(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030200621	1	52	0.0	-62.89	390.79	6.29	-56.60
CC[N@H+]1CCC1C(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030200621	1	52	0.0	-63.28	394.41	6.41	-56.87
NC1=CC=[NH+]C=C1C(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030200631	0	48	0.0	-61.88	380.41	3.64	-58.24
C[NH+](C)C(C)(C)C(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030200637	0	54	0.0	-62.61	388.58	5.98	-56.63
O=C(C[NH+]1CC2CC2C1)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030200698	0	53	0.0	-66.80	406.60	7.66	-59.14
C[N@@H+]1CCCCC1C(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030200704	0	55	0.0	-67.96	387.22	6.59	-61.37
C[N@H+]1CCCCC1C(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030200704	1	55	0.0	-59.00	410.34	7.30	-51.70
C[N@@H+]1CCC(=CC(=O)N2CCC3=CC=CC=C3C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030200725	0	53	0.0	-70.34	407.96	7.34	-63.00
C[N@H+]1CCC(=CC(=O)N2CCC3=CC=CC=C3C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030200725	1	53	0.0	-69.50	408.09	7.37	-62.13
CCC1C[NH+](CC(=O)N2CCC3=CC=CC=C3C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030200746	1	55	0.0	-67.56	423.79	7.63	-59.93
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030200751	0	52	0.0	-63.88	392.72	6.62	-57.26
C[N@H+]1CCC[C@H]1C(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030200751	1	52	0.0	-61.32	385.40	6.33	-54.99
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3=CC=CC=C3C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030200784	0	55	0.0	-60.36	420.33	7.52	-52.84
O=C(C[NH+]1CCCCC1)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030200822	0	55	0.0	-66.24	412.87	7.63	-58.61
C[N@@H+]1CCCC(C(=O)N2CCC3=CC=CC=C3C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030200823	0	55	0.0	-65.68	414.87	7.26	-58.42
C[N@H+]1CCCC(C(=O)N2CCC3=CC=CC=C3C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030200823	1	55	0.0	-61.15	406.41	7.42	-53.73
CN1C=C[N+](CC(=O)N2CCC3=CC=CC=C3C(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030200824	0	50	0.0	-61.07	402.38	9.28	-51.79
C[N@H+](CC(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030200834	0	52	0.0	-63.69	400.39	7.18	-56.51
C[N@@H+](CC(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030200834	1	52	0.0	-63.36	400.54	7.19	-56.17
C[NH+]1CC(CC(=O)N2CCC3=CC=CC=C3C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030200883	0	52	0.0	-64.57	402.43	6.64	-57.93
C[NH+](C)CC(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030200889	0	48	0.0	-66.70	371.15	5.77	-60.93
C[C@@H](C(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030200897	0	51	0.0	-66.43	386.18	6.07	-60.36
CC(C(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300030200911	0	55	0.0	-64.61	413.24	7.94	-56.67
CC1CC[N@@H+]1CC(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030200912	1	52	0.0	-63.75	396.87	6.56	-57.19
CC1CC[N@H+]1CC(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030200912	1	52	0.0	-64.20	396.91	6.59	-57.61
C[NH+](C)CC=CC(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030200914	0	52	0.0	-71.40	407.52	7.06	-64.34
CC1(C)C[NH+](CC(=O)N2CCC3=CC=CC=C3C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030200918	1	55	0.0	-66.28	421.50	7.35	-58.93
CC[NH+](CC)CC(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030200930	0	54	0.0	-65.27	402.43	6.82	-58.45
O=C(C[NH+]1CCC1)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030200935	1	49	0.0	-66.04	381.40	6.23	-59.81
CC(C(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030200974	1	52	0.0	-63.73	383.87	6.88	-56.85
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030200995	0	55	0.0	-62.17	401.04	6.84	-55.33
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030200995	1	55	0.0	-59.09	410.50	7.31	-51.78
C=CCC(C(=O)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030201014	0	55	0.0	-59.17	410.88	7.12	-52.05
C[N@@H+]1CCCC1C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030201204	0	46	0.0	-73.14	362.71	2.25	-70.89
C[N@H+]1CCCC1C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030201204	1	46	0.0	-71.65	368.40	2.77	-68.88
C[N@@H+]1CCOC(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030201228	1	47	0.0	-81.89	373.01	1.98	-79.91
C[N@H+]1CCOC(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030201228	1	47	0.0	-75.92	373.03	1.98	-73.94
CC(C)C1=[NH+]C=CN1CCC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030201418	1	53	0.0	-61.39	426.45	4.92	-56.47
CC(C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCCC1	REAL300030201425	0	55	0.0	-71.80	411.79	4.16	-67.64
CC(C)[N@@H+]1CCCCC1C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030201428	0	55	0.0	-60.28	414.07	4.27	-56.01
CC(C)[N@H+]1CCCCC1C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030201428	1	55	0.0	-62.77	408.29	4.34	-58.43
CC(C)[N@@H+]1CCCC1C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030201463	0	52	0.0	-63.43	390.06	3.90	-59.53
CC(C)[N@H+]1CCCC1C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030201463	1	52	0.0	-73.58	395.43	3.99	-69.59
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@@H+]2C1	REAL300030201490	0	53	0.0	-75.97	408.88	4.55	-71.42
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@H+]2C1	REAL300030201490	1	53	0.0	-71.81	409.96	4.44	-67.37
CC(C)C1=[NH+]C=CN1CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030201526	1	50	0.0	-70.23	408.42	4.45	-65.78
CC1=[NH+]C=CN1CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030201582	1	44	0.0	-71.03	370.68	3.40	-67.63
CC(C[NH+]1CCOCC1)C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030201584	0	53	0.0	-77.18	413.89	2.47	-74.71
O=C(CCC[NH+]1CCCCC1)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030201606	0	55	0.0	-67.62	426.46	4.99	-62.63
CC(C)(C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCC1	REAL300030201635	0	55	0.0	-62.37	410.34	4.72	-57.65
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1C[NH+]2CCC1CC2	REAL300030201654	0	50	0.0	-69.44	382.33	3.54	-65.90
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCC2CCC[N@@H+]21	REAL300030201717	0	53	0.0	-63.69	397.45	4.33	-59.36
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCC2CCC[N@H+]21	REAL300030201717	1	53	0.0	-69.72	397.57	4.32	-65.40
C[NH+](C)CCN1C=C(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C=N1	REAL300030201719	0	52	0.0	-76.09	425.28	3.26	-72.83
C[NH+](C)CCN1C=CC(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300030201735	0	52	0.0	-86.78	427.44	3.21	-83.57
C[C@@H]1[C@H](C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030201742	0	49	0.0	-79.54	379.36	2.72	-76.82
C[C@@H]1[C@H](C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030201742	1	49	0.0	-78.23	385.45	2.99	-75.24
CCC1=[NH+]C=CN1C(C)CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030201745	1	53	0.0	-61.53	426.95	4.97	-56.56
CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030201748	0	52	0.0	-76.93	400.09	3.41	-73.52
CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030201748	1	52	0.0	-72.98	403.55	3.79	-69.19
CC[N@@H+]1CCOC(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030201774	1	50	0.0	-83.63	397.96	2.78	-80.85
CC[N@H+]1CCOC(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030201774	1	50	0.0	-68.96	396.12	2.85	-66.11
CC[NH+](CC)CC(F)C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030201843	0	51	0.0	-65.40	400.23	3.49	-61.91
C[NH+](C)CC1=C(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)SC=C1	REAL300030201844	0	49	0.0	-67.16	407.88	4.32	-62.84
CC1CCC(C)[NH+]1CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030201960	0	52	0.0	-71.77	399.90	3.73	-68.04
O=C(CCC[NH+]1CCCC1)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030201967	0	52	0.0	-67.52	410.79	4.30	-63.22
C[NH+](C)CC1=CC=CC(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030201968	0	52	0.0	-78.20	420.92	5.16	-73.04
C#CC[NH+]1CCC(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030201975	0	51	0.0	-79.80	412.37	4.61	-75.19
O=C(CC[NH+]1CCCCC1)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030201976	0	52	0.0	-66.92	404.99	4.19	-62.73
C[NH+](C)CC1=CC=CC=C1C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030201980	0	52	0.0	-64.30	413.63	5.43	-58.87
CC[N@@H+]1CCCCC1C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030201990	0	52	0.0	-71.64	402.53	3.95	-67.69
CC[N@H+]1CCCCC1C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030201990	1	52	0.0	-71.82	392.97	3.81	-68.01
CC(C)C(C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCC1	REAL300030201991	0	58	0.0	-62.74	431.69	5.77	-56.97
C[NH+](C)C(C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300030201994	1	52	0.0	-64.19	415.65	5.25	-58.94
CC(C)C[N@@H+]1CCC(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030202020	0	55	0.0	-74.80	427.48	4.65	-70.15
CC(C)C[N@H+]1CCC(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030202020	1	55	0.0	-75.72	427.46	4.72	-71.00
C[NH+](C)C1(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CCC1	REAL300030202024	0	49	0.0	-66.30	375.15	2.92	-63.38
C[NH+](C)C(CN1C=CC=N1)C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030202026	1	52	0.0	-66.65	413.94	3.01	-63.64
CC(C)[N@@H+]1CCCC1CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030202032	0	55	0.0	-69.33	413.75	3.86	-65.47
CC(C)[N@H+]1CCCC1CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030202032	1	55	0.0	-68.21	411.42	4.28	-63.93
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@@H+]1C1CCCC1	REAL300030202033	0	56	0.0	-63.09	417.70	5.07	-58.02
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@H+]1C1CCCC1	REAL300030202033	1	56	0.0	-62.36	426.95	5.15	-57.21
CC(C)[C@@H](C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030202060	0	51	0.0	-64.18	390.28	3.97	-60.21
C[N@H+](CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300030202126	0	49	0.0	-64.64	387.09	3.74	-60.90
C[N@@H+](CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300030202126	1	49	0.0	-71.56	387.48	3.78	-67.78
CC(C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1C(C)CCC1C	REAL300030202221	0	55	0.0	-60.28	410.32	4.25	-56.03
CN(CCC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=[NH+]C=C1	REAL300030202303	0	51	0.0	-73.96	417.24	3.37	-70.59
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030202316	1	48	0.0	-73.60	389.20	3.50	-70.10
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030202316	1	48	0.0	-73.65	393.95	4.00	-69.65
C[N@@H+]1CCCC1CCC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030202326	0	52	0.0	-74.87	408.77	4.28	-70.59
C[N@H+]1CCCC1CCC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030202326	1	52	0.0	-74.75	404.48	3.77	-70.98
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[NH+](CCC1)C2	REAL300030202340	0	53	0.0	-75.36	400.16	3.90	-71.46
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC2CCCC[N@@H+]21	REAL300030202348	0	53	0.0	-72.37	404.37	4.22	-68.15
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC2CCCC[N@H+]21	REAL300030202348	1	53	0.0	-70.15	410.52	4.61	-65.54
CC(C)(C[NH+]1CCOCC1)C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030202357	0	56	0.0	-75.67	426.36	2.94	-72.73
O=C(CCCC[NH+]1CCCC1)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030202377	0	55	0.0	-76.30	434.09	5.03	-71.27
C[N@H+](CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300030202380	1	52	0.0	-78.02	418.03	5.37	-72.65
C[N@@H+](CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300030202380	1	52	0.0	-79.98	419.48	5.30	-74.68
C[NH+]1CCC(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030202398	0	49	0.0	-68.75	385.58	3.43	-65.32
C[NH+](C)CC1=CC(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)=NO1	REAL300030202465	1	48	0.0	-76.89	400.10	2.78	-74.11
CC1=C(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C=CC2=C[NH+]=CN21	REAL300030202467	0	47	0.0	-65.83	393.27	5.50	-60.33
C[N@@H+]1CCCCC1C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030202516	0	49	0.0	-72.68	384.73	3.31	-69.37
C[N@H+]1CCCCC1C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030202516	1	49	0.0	-70.62	384.55	3.34	-67.28
CC(C)C[N@@H+]1CCCC1C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030202550	0	55	0.0	-72.49	412.67	4.81	-67.68
CC(C)C[N@H+]1CCCC1C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030202550	1	55	0.0	-70.65	426.02	4.99	-65.66
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN2C=[NH+]C=C2C=C1	REAL300030202716	0	44	0.0	-67.64	371.13	5.28	-62.36
CC1=[NH+]C=CN1CCCC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030202731	1	50	0.0	-72.62	413.74	4.62	-68.00
O=C(CCCC[NH+]1CCOCC1)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030202735	1	56	0.0	-71.26	439.23	3.35	-67.91
C[NH+](C)CC1=CC=C(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C=C1	REAL300030202741	0	52	0.0	-83.69	420.91	5.19	-78.50
O=C(CC[NH+]1CCOCC1)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030202742	1	50	0.0	-69.91	396.23	1.77	-68.14
C[NH+](C)C(C)(C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300030202762	0	55	0.0	-67.12	416.74	5.18	-61.94
CCC[NH+](CCC)CCCC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030202770	0	60	0.0	-68.18	459.04	5.67	-62.51
CC[N@H+](C)C(C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300030202771	0	55	0.0	-63.92	433.51	5.92	-58.00
CC[N@@H+](C)C(C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300030202771	1	55	0.0	-72.98	434.54	5.91	-67.07
CC1=C[NH+]=CN1CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030202794	1	44	0.0	-74.90	372.53	4.06	-70.84
O=C(CN1C=[NH+]C2=C1CCCC2)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030202807	1	51	0.0	-65.18	412.58	5.83	-59.35
C[NH+](C)CC1(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CCCCC1	REAL300030202855	0	58	0.0	-70.01	420.89	5.23	-64.78
C[NH+](C)CCC1=CC=CC=C1C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030202856	0	55	0.0	-67.82	432.15	5.91	-61.91
C[N@H+](CCC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCCC1	REAL300030202862	0	58	0.0	-67.62	439.41	5.37	-62.25
C[N@@H+](CCC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCCC1	REAL300030202862	1	58	0.0	-67.73	439.40	5.36	-62.37
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[NH+]1CCC2	REAL300030202867	0	50	0.0	-75.33	385.29	3.49	-71.84
C[NH+](C)C1CCCC(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030202907	0	55	0.0	-69.26	414.91	4.42	-64.84
C[N@@H+]1CCC(CC(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030202914	0	49	0.0	-76.51	389.61	3.33	-73.18
C[N@H+]1CCC(CC(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030202914	1	49	0.0	-77.01	389.03	3.34	-73.67
CN(C)C1=CC=[NH+]C=C1C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030202928	0	48	0.0	-66.85	391.69	2.57	-64.28
CCC(C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030202934	0	48	0.0	-64.15	371.62	2.76	-61.39
C[NH+](C)C1(CC(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300030202958	0	55	0.0	-67.56	404.82	4.19	-63.37
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC2=C[NH+]=CN2C=C1	REAL300030203030	1	44	0.0	-68.62	371.40	5.28	-63.34
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300030203075	1	47	0.0	-85.74	402.46	3.15	-82.59
C[NH+](C)CCCCC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030203110	0	51	0.0	-69.51	406.32	3.91	-65.60
CC(C)C(C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030203132	0	51	0.0	-65.27	390.41	3.97	-61.30
CCC[N@H+](C)CCC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030203134	0	51	0.0	-77.19	404.21	3.70	-73.49
CCC[N@@H+](C)CCC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030203134	1	51	0.0	-68.08	402.59	3.71	-64.37
CCC[N@H+](C)CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030203141	0	48	0.0	-74.94	381.85	3.15	-71.79
CCC[N@@H+](C)CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030203141	1	48	0.0	-75.36	382.00	3.13	-72.23
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CC[N@H+](C1)CCC2	REAL300030203172	0	50	0.0	-75.09	382.88	3.00	-72.09
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CC[N@@H+](C1)CCC2	REAL300030203172	1	50	0.0	-77.64	384.23	2.94	-74.70
C[N@@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030203241	0	46	0.0	-72.82	362.58	2.29	-70.53
C[N@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030203241	1	46	0.0	-71.54	367.67	2.79	-68.75
CC1CC2CCC(C(=O)NC3CC4(C3)CN(C(=O)C3=CC(=O)[N-]O3)C4)C[N@@H+]2C1	REAL300030203269	0	56	0.0	-64.31	429.22	5.07	-59.24
CC1CC2CCC(C(=O)NC3CC4(C3)CN(C(=O)C3=CC(=O)[N-]O3)C4)C[N@H+]2C1	REAL300030203269	1	56	0.0	-60.25	423.14	5.32	-54.93
CCCCCC[N@H+](C)CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030203326	0	57	0.0	-76.15	446.34	5.50	-70.65
CCCCCC[N@@H+](C)CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030203326	1	57	0.0	-76.20	446.31	5.50	-70.70
CC[NH+](CC)C(C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C(C)C	REAL300030203337	0	57	0.0	-62.45	420.81	4.87	-57.58
CC[NH+](CC)CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030203348	0	48	0.0	-64.71	372.55	2.83	-61.88
CCC[N@@H+]1CCCC(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030203382	0	55	0.0	-74.30	426.35	4.78	-69.52
CCC[N@H+]1CCCC(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030203382	1	55	0.0	-74.67	426.31	4.76	-69.91
CC(C)[N@@H+]1CCOC(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030203406	1	53	0.0	-78.76	407.58	3.12	-75.64
CC(C)[N@H+]1CCOC(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030203406	1	53	0.0	-83.17	414.53	3.33	-79.84
CC1CC[NH+](CC(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030203448	0	52	0.0	-66.13	403.56	4.25	-61.88
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300030203480	1	47	0.0	-81.90	402.07	3.15	-78.75
C[NH+]1CCC(OCC(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030203490	0	53	0.0	-81.37	422.50	3.82	-77.55
C[NH+](C)CC1(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030203509	0	49	0.0	-63.39	390.01	3.80	-59.59
CC1=[NH+]C=C2CCC(C(=O)NC3CC4(C3)CN(C(=O)C3=CC(=O)[N-]O3)C4)CN21	REAL300030203510	1	51	0.0	-69.83	410.25	4.48	-65.35
CC(C)[NH+]1CCC(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030203617	0	55	0.0	-66.45	416.24	4.38	-62.07
C[NH+]1CCC(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030203648	0	49	0.0	-68.75	385.58	3.43	-65.32
CC(C)[C@H](C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030203671	0	51	0.0	-65.68	390.57	3.81	-61.87
CCC(C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](CC)CC	REAL300030203710	0	54	0.0	-61.10	407.23	4.13	-56.97
CC[N@H+](C)CCC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030203809	0	48	0.0	-67.45	381.09	2.97	-64.48
CC[N@@H+](C)CCC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030203809	1	48	0.0	-67.45	381.09	2.96	-64.49
CC1CCC[N@@H+]1CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030203891	0	49	0.0	-71.64	381.32	3.12	-68.52
CC1CCC[N@H+]1CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030203891	1	49	0.0	-71.61	381.29	3.13	-68.48
CC1CC[N@H+](CC(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030203894	0	49	0.0	-74.30	387.84	3.46	-70.84
CC1CC[N@@H+](CC(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030203894	1	49	0.0	-74.05	387.96	3.41	-70.64
CC(C)(C)[N@@H+]1CCC(F)(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030203895	0	55	0.0	-69.50	424.56	4.01	-65.49
CC(C)(C)[N@H+]1CCC(F)(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030203895	1	55	0.0	-70.10	424.69	4.02	-66.08
CC1=[NH+]C=C2CC(C(=O)NC3CC4(C3)CN(C(=O)C3=CC(=O)[N-]O3)C4)CCN21	REAL300030203897	1	51	0.0	-73.12	412.02	4.46	-68.66
C[NH+](C)CCC1=CC=C(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C=C1	REAL300030203899	0	55	0.0	-84.25	443.40	6.03	-78.22
CC1(C)CC[N@H+](CC(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030203901	0	52	0.0	-65.41	405.98	4.02	-61.39
CC1(C)CC[N@@H+](CC(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030203901	1	52	0.0	-74.85	408.33	3.96	-70.89
C[N@H+](CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300030203902	0	54	0.0	-65.84	410.62	4.24	-61.60
C[N@@H+](CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300030203902	1	54	0.0	-75.18	412.54	4.26	-70.92
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030203903	0	55	0.0	-79.21	441.90	6.15	-73.06
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030203903	1	55	0.0	-70.98	440.12	6.19	-64.79
CC[C@@H](C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030203915	0	48	0.0	-64.11	371.64	2.76	-61.35
CC(COCC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCC1	REAL300030203923	0	56	0.0	-66.23	439.54	4.51	-61.72
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[NH+](CC2CC2)CC1	REAL300030204025	0	56	0.0	-68.79	434.76	5.64	-63.15
C[NH+]1CCC(O)(CC(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030204182	0	53	0.0	-69.92	411.53	2.07	-67.85
COCC[N@@H+]1CCCC1CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030204189	0	56	0.0	-75.82	432.00	3.04	-72.78
COCC[N@H+]1CCCC1CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030204189	1	56	0.0	-73.73	440.16	3.11	-70.62
C[NH+](C)CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030204197	0	42	0.0	-75.58	342.77	1.71	-73.87
O=C(C[NH+]1CCC(CO)CC1)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030204202	0	53	0.0	-68.94	414.39	0.93	-68.01
O=C(C[NH+]1CCCCCC1)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030204206	0	52	0.0	-65.79	392.07	3.82	-61.97
CN1C=C[N+](CC(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030204211	0	44	0.0	-65.28	372.22	5.27	-60.01
C[N@@H+]1CCCC(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030204222	0	49	0.0	-67.30	385.56	3.38	-63.92
C[N@H+]1CCCC(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030204222	1	49	0.0	-75.72	387.16	3.36	-72.36
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@@H+]1C1CC1	REAL300030204228	0	50	0.0	-70.15	400.19	4.22	-65.93
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@H+]1C1CC1	REAL300030204228	1	50	0.0	-71.78	393.16	3.60	-68.18
CC(C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300030204268	1	46	0.0	-72.83	370.90	2.78	-70.05
CCC(CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300030204278	0	54	0.0	-69.32	412.47	4.23	-65.09
C[NH+](C)CC(C)(C)C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030204287	0	51	0.0	-75.68	391.90	3.56	-72.12
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CC(C1)C[N@@H+]2C1CC1	REAL300030204311	0	51	0.0	-72.96	400.74	4.43	-68.53
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CC(C1)C[N@H+]2C1CC1	REAL300030204311	1	51	0.0	-74.82	397.55	4.85	-69.97
O=C(C[NH+]1CCC(O)CC1)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030204335	1	50	0.0	-69.77	394.19	0.28	-69.49
C[N@H+](CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030204337	0	46	0.0	-64.06	370.27	3.17	-60.89
C[N@@H+](CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030204337	1	46	0.0	-72.99	372.19	3.12	-69.87
CC(C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)N1CC[NH+](C)CC1	REAL300030204338	1	54	0.0	-68.04	411.93	1.57	-66.47
C[NH+]1CC(CC(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030204368	0	46	0.0	-76.55	374.21	2.54	-74.01
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@@H+]1C1CCCC1	REAL300030204372	0	53	0.0	-64.75	413.51	4.73	-60.02
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@H+]1C1CCCC1	REAL300030204372	1	53	0.0	-73.81	408.03	4.15	-69.66
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030204381	0	52	0.0	-71.79	389.74	2.37	-69.42
CC(C)(C)[N@H+]1CCC1C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030204381	1	52	0.0	-63.39	386.78	2.91	-60.48
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300030204392	0	52	0.0	-67.18	417.06	2.25	-64.93
C[C@@H](C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030204395	0	45	0.0	-74.03	360.49	2.15	-71.88
CCC1CCC[N@H+](CC(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030204449	0	55	0.0	-73.92	416.07	4.41	-69.51
CCC1CCC[N@@H+](CC(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030204449	1	55	0.0	-75.13	423.55	4.87	-70.26
C[NH+](C)CC1=CC=C(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300030204458	0	50	0.0	-86.03	409.28	3.14	-82.89
C[NH+]1C2CCC1CC(CC(=O)NC1CC3(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030204473	0	56	0.0	-67.86	406.65	4.20	-63.66
C[NH+](C)C(CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300030204480	0	55	0.0	-80.12	432.69	5.70	-74.42
[NH2+]=C1SC=CN1CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030204522	0	42	0.0	-70.83	369.84	1.89	-68.94
C[N@H+](CCO)CCC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030204536	0	49	0.0	-67.75	391.44	-0.25	-68.00
C[N@@H+](CCO)CCC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030204536	1	49	0.0	-67.29	391.42	-0.26	-67.55
C[C@@H](C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030204537	0	45	0.0	-74.03	360.49	2.15	-71.88
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030204542	0	49	0.0	-72.01	375.24	3.16	-68.85
C[N@H+]1CCCC[C@@H]1C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030204542	1	49	0.0	-64.03	382.93	3.36	-60.67
CC1CN2CC[N@@H+]1CC2C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030204552	0	52	0.0	-78.07	395.40	0.71	-77.36
CC1CN2CC[N@H+]1CC2C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030204552	1	52	0.0	-82.31	393.90	0.63	-81.68
COC1C[N@@H+]2CCCC2(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030204605	0	54	0.0	-78.38	417.59	2.56	-75.82
COC1C[N@H+]2CCCC2(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030204605	1	54	0.0	-77.77	417.19	2.55	-75.22
O=C(CC1=CC2=C[NH+]=CN2C=C1)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030204621	0	47	0.0	-73.84	397.17	5.90	-67.94
C[N@H+](CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300030204655	0	50	0.0	-79.98	402.26	3.94	-76.04
C[N@@H+](CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300030204655	1	50	0.0	-71.66	400.27	4.00	-67.66
O=C(C[NH+]1CCC1)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030204656	1	43	0.0	-66.59	351.06	2.19	-64.40
C[NH+](C)CC1=CC(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC=N1	REAL300030204695	1	51	0.0	-75.07	416.90	3.72	-71.35
C[N@@H+]1CCC(=CC(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030204697	0	47	0.0	-78.45	380.66	3.25	-75.20
C[N@H+]1CCC(=CC(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030204697	1	47	0.0	-78.07	381.49	3.26	-74.81
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1C[NH+](C2CCCCC2)C1	REAL300030204725	0	56	0.0	-68.18	433.00	5.11	-63.07
C[NH+](C)CCOCC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030204744	0	49	0.0	-68.35	396.83	2.81	-65.54
CCCCC[N@H+](C)CCC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030204751	0	57	0.0	-68.96	445.58	5.28	-63.68
CCCCC[N@@H+](C)CCC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030204751	1	57	0.0	-68.93	445.58	5.27	-63.66
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030204761	0	53	0.0	-68.75	419.81	3.70	-65.05
C=CCC(C)(C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030204773	0	52	0.0	-68.85	398.20	3.77	-65.08
C[S+](C)CCC(O)C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030204778	0	48	0.0	-67.41	405.82	1.41	-66.00
C[N@@H+]1CC(O)CC1(C)C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030204816	0	50	0.0	-79.82	389.02	-0.09	-79.91
CN1CC[N@H+](C)CC(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030204831	0	54	0.0	-66.96	411.11	1.91	-65.05
CN1CC[N@@H+](C)CC(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030204831	1	54	0.0	-66.96	411.11	1.91	-65.05
CC(C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)[N@@H+]1CCCC(O)C1	REAL300030204832	0	53	0.0	-71.55	413.48	0.63	-70.92
O=C(C[NH+]1CCC(CO)CC1)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030204848	0	53	0.0	-68.94	414.39	0.93	-68.01
C[N@@H+]1CCCC(O)(CC(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030204859	0	53	0.0	-73.92	410.07	2.15	-71.77
C[N@H+]1CCCC(O)(CC(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030204859	1	53	0.0	-69.30	413.08	2.04	-67.26
CC1C[NH+](CC(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030204863	1	46	0.0	-74.96	373.67	2.81	-72.15
NC(=O)C1CC[NH+](CC(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030204868	0	53	0.0	-75.47	418.63	0.31	-75.16
C[N@H+](CCO)CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030204894	1	46	0.0	-76.23	370.85	-0.86	-77.09
C[N@@H+](CCO)CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030204894	1	46	0.0	-75.04	370.48	-0.84	-75.88
C[NH+]1C2CCC1CC(=CC(=O)NC1CC3(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030204920	0	54	0.0	-68.29	413.99	4.70	-63.59
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1C[N@@H+]2CCN1CCC2	REAL300030204925	0	52	0.0	-85.89	389.45	1.53	-84.36
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1C[N@H+]2CCN1CCC2	REAL300030204925	1	52	0.0	-82.84	390.70	1.00	-81.84
CC[N@@H+]1CCCC(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030204934	0	52	0.0	-67.67	398.57	4.22	-63.45
CC[N@H+]1CCCC(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030204934	1	52	0.0	-65.47	403.20	4.03	-61.44
CC(CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300030204936	0	51	0.0	-68.63	398.15	3.76	-64.87
CC[N@H+](C)CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030204953	0	45	0.0	-66.16	358.72	2.42	-63.74
CC[N@@H+](C)CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030204953	1	45	0.0	-74.96	360.50	2.39	-72.57
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[N@@H+]1CCCC2	REAL300030204984	0	53	0.0	-69.54	397.14	4.30	-65.24
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[N@H+]1CCCC2	REAL300030204984	1	53	0.0	-70.78	397.03	4.30	-66.48
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[N@@H+]1CC=CC2	REAL300030204994	0	51	0.0	-61.32	388.40	4.07	-57.25
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[N@H+]1CC=CC2	REAL300030204994	1	51	0.0	-77.93	388.75	4.65	-73.28
CC[N@H+](CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030205023	0	49	0.0	-63.32	390.20	3.82	-59.50
CC[N@@H+](CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030205023	1	49	0.0	-63.70	387.02	3.77	-59.93
C[NH+](C)C1(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CCCSC1	REAL300030205026	0	53	0.0	-82.76	405.69	4.19	-78.57
CC[NH+](CC)CCC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030205048	0	51	0.0	-66.44	398.91	3.66	-62.78
C[NH+]1CCC(=CC(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030205067	0	50	0.0	-70.31	394.51	4.02	-66.29
CC1(C)C[NH+](CC(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030205082	1	49	0.0	-75.34	393.16	3.27	-72.07
O=C(CCCC[NH+]1CCCCC1)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030205088	0	58	0.0	-68.24	447.96	5.77	-62.47
CC1(O)CC[N@H+](CC(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030205123	0	50	0.0	-74.98	399.02	0.14	-74.84
CC1(O)CC[N@@H+](CC(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030205123	1	50	0.0	-75.84	399.15	0.15	-75.69
C[NH+](C)CC=CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030205136	0	46	0.0	-79.78	378.73	2.93	-76.85
CC(OCC[NH+](C)C)C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030205166	0	52	0.0	-68.18	415.82	3.55	-64.63
C[NH+](C)CCOCCC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030205178	0	52	0.0	-67.09	417.78	2.56	-64.53
COCC[N@H+](C)CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030205179	1	49	0.0	-74.76	392.73	1.57	-73.19
COCC[N@@H+](C)CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030205179	1	49	0.0	-76.44	393.10	1.55	-74.89
COCCCC[N@H+](C)CCC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030205212	0	58	0.0	-71.50	457.76	3.57	-67.93
COCCCC[N@@H+](C)CCC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030205212	1	58	0.0	-71.53	457.76	3.56	-67.97
C[NH+](C)C1(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300030205238	0	52	0.0	-80.92	394.33	3.83	-77.09
CC(CCC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030205241	0	51	0.0	-68.24	394.31	3.50	-64.74
CC[N@@H+]1CCC1C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030205252	1	46	0.0	-64.02	364.88	2.61	-61.41
CC[N@H+]1CCC1C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030205252	1	46	0.0	-74.29	374.28	2.72	-71.57
CC(C)[N@@H+]1CCCC(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030205267	0	55	0.0	-66.93	415.24	4.73	-62.20
CC(C)[N@H+]1CCCC(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030205267	1	55	0.0	-60.98	413.63	4.75	-56.23
CC(C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)[N@H+](C)CC1=CC=CC=C1	REAL300030205274	0	55	0.0	-66.28	435.90	5.75	-60.53
CC(C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)[N@@H+](C)CC1=CC=CC=C1	REAL300030205274	1	55	0.0	-76.59	437.65	5.72	-70.87
O=C(C[N@H+]1CCCC1CO)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030205283	0	50	0.0	-73.83	397.40	0.27	-73.56
O=C(C[N@@H+]1CCCC1CO)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030205283	1	50	0.0	-74.54	392.38	-0.23	-74.77
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@@H+]2C1	REAL300030205313	0	53	0.0	-75.97	408.88	4.55	-71.42
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@H+]2C1	REAL300030205313	1	53	0.0	-71.81	409.96	4.44	-67.37
C[NH+]1CCC(C)(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030205323	0	52	0.0	-67.61	398.20	3.83	-63.78
C[NH+](C)CC1=CNC(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030205329	0	50	0.0	-79.31	409.02	2.99	-76.32
CC(C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC(O)CC1	REAL300030205351	0	53	0.0	-76.52	413.65	0.61	-75.91
C=CCC(C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030205369	0	49	0.0	-72.35	386.44	3.20	-69.15
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030205389	0	52	0.0	-73.65	401.26	3.49	-70.16
C[N@H+]1CC(C)(C)CC1C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030205389	1	52	0.0	-70.38	408.27	3.78	-66.60
C[NH+](C)CCCCCC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030205394	0	54	0.0	-69.78	427.83	4.69	-65.09
O=C(C[NH+]1CC2CC2C1)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030205405	0	47	0.0	-75.40	378.36	3.59	-71.81
CC1C[N@@H+]2CCN1C(C(=O)NC1CC3(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030205446	0	52	0.0	-76.16	394.17	0.85	-75.31
CC1C[N@H+]2CCN1C(C(=O)NC1CC3(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030205446	1	52	0.0	-78.96	395.60	0.74	-78.22
CCCC(C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030205447	0	51	0.0	-64.90	392.88	3.55	-61.35
C[NH+](C)C(C)(C)C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030205452	0	48	0.0	-77.23	370.53	2.81	-74.42
CC[NH+](CC)CCSCC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030205495	0	55	0.0	-69.53	443.55	5.05	-64.48
C[N@@H+]1CCCCC1C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030205507	0	49	0.0	-72.68	384.73	3.31	-69.37
C[N@H+]1CCCCC1C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030205507	1	49	0.0	-70.62	384.55	3.34	-67.28
C[N@H+]1CC=C(CC(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030205563	0	50	0.0	-73.98	401.91	4.04	-69.94
C[N@@H+]1CC=C(CC(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030205563	1	50	0.0	-67.79	400.11	4.08	-63.71
O=C(CC1([NH+]2CCCC2)CC1)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030205575	0	53	0.0	-63.34	406.09	4.48	-58.86
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030205634	0	58	0.0	-77.78	424.95	4.41	-73.37
C[N@H+]1CCCC(C(C)(C)C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030205634	1	58	0.0	-77.78	424.95	4.41	-73.37
CN(C)CC1=CC=C(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030205639	0	49	0.0	-67.00	404.48	3.46	-63.54
C[NH+](C)CC1=CC=C(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030205639	1	49	0.0	-67.00	404.48	3.46	-63.54
O=C(C=CC[NH+]1CCCC1)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030205663	0	50	0.0	-68.96	403.26	4.19	-64.77
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[NH+](C2CC2)CC1	REAL300030205692	0	53	0.0	-76.38	412.18	4.58	-71.80
O=C(CC[NH+]1CCCC1)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030205721	0	49	0.0	-66.88	389.32	3.49	-63.39
C[N@@H+]1CC2CC1(C(=O)NC1CC3(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030205787	0	47	0.0	-74.30	373.81	2.86	-71.44
O=C(C[N@@H+]1CC2CCC1C2)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030205803	0	50	0.0	-73.40	386.96	3.66	-69.74
O=C(C[N@H+]1CC2CCC1C2)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030205803	1	50	0.0	-73.40	386.96	3.66	-69.74
CC(C)[NH+]1CCC(CC(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030205817	0	58	0.0	-65.70	434.86	5.08	-60.62
O=C(C=C1C[NH+]2CCC1CC2)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030205869	0	51	0.0	-67.43	397.10	4.17	-63.26
O=C(C[N@@H+]1CC2C=CC1C2)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030205883	1	48	0.0	-73.24	382.22	3.71	-69.53
O=C(C[N@H+]1CC2C=CC1C2)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030205883	1	48	0.0	-71.63	381.75	3.60	-68.03
C[NH+](C)CC(C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300030205924	0	55	0.0	-66.22	437.11	5.85	-60.37
CC[NH+]1CCN(CC(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030205927	0	54	0.0	-74.50	419.01	1.85	-72.65
CC(C[NH+](C)C)C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030205953	0	48	0.0	-67.62	379.37	3.04	-64.58
C[N@@H+]1CCCCC1CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030206058	0	52	0.0	-69.55	394.33	3.79	-65.76
C[N@H+]1CCCCC1CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030206058	1	52	0.0	-67.07	394.37	3.78	-63.29
CC1=C2C=C(C(=O)NC3CC4(C3)CN(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300030206081	1	47	0.0	-66.16	393.31	5.84	-60.32
CC(C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CC(C)C1	REAL300030206082	0	49	0.0	-71.97	390.11	3.45	-68.52
CC1CC[N@@H+]1CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030206086	1	46	0.0	-72.67	368.38	2.55	-70.12
CC1CC[N@H+]1CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030206086	1	46	0.0	-72.91	368.38	2.54	-70.37
C[NH+](C)CC(O)CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030206091	0	49	0.0	-71.30	393.66	0.75	-70.55
CC1C[N@H+](C)CC(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030206130	1	50	0.0	-86.62	394.37	2.91	-83.71
CC1C[N@@H+](C)CC(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030206130	1	50	0.0	-85.44	401.18	2.91	-82.53
O=C(CC[NH+]1CCC(O)CC1)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030206143	0	53	0.0	-79.38	417.86	0.79	-78.59
CCC[N@@H+]1CCCCC1C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030206146	0	55	0.0	-71.52	414.61	4.53	-66.99
CCC[N@H+]1CCCCC1C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030206146	1	55	0.0	-70.68	424.04	4.70	-65.98
CC[NH+]1CCN(CCC(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030206151	0	57	0.0	-68.07	439.09	2.39	-65.68
CCN1CC[NH+](CCC(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030206151	1	57	0.0	-68.16	439.57	2.42	-65.74
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300030206154	0	56	0.0	-75.88	412.99	4.50	-71.38
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300030206154	1	56	0.0	-66.74	417.32	5.21	-61.53
CC(C)C[NH+]1CCC(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030206204	0	58	0.0	-78.05	443.79	5.50	-72.55
C[NH+](C)C1CCN(CC(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030206232	0	57	0.0	-69.70	434.33	2.46	-67.24
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030206255	0	49	0.0	-74.32	392.30	3.47	-70.85
CC(CC[NH+](C)C)C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030206263	0	51	0.0	-68.80	401.00	3.67	-65.13
C[N@H+](CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300030206297	0	53	0.0	-63.72	411.45	1.15	-62.57
C[N@@H+](CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300030206297	1	53	0.0	-73.73	413.58	0.95	-72.78
C#CC[N@H+]1CCCCC1C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030206307	1	51	0.0	-73.04	400.64	4.32	-68.72
C#CC[N@@H+]1CCCCC1C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030206307	1	51	0.0	-72.74	409.89	4.54	-68.20
C[NH+](C)C(CC1=CC=CC=C1)C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030206312	0	55	0.0	-72.67	433.38	6.34	-66.33
C[NH+]1CCN(CC(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030206314	1	51	0.0	-75.60	401.78	1.21	-74.39
CC[NH+]1CCN(CC(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030206326	0	54	0.0	-74.50	419.01	1.85	-72.65
NC(=[NH2+])SCC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030206360	0	40	0.0	-66.96	349.49	-1.37	-68.33
CC[N@@H+]1CCOCC1CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030206408	0	53	0.0	-76.50	409.18	2.25	-74.25
C[NH+](C)CCC1(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300030206427	0	58	0.0	-76.63	443.98	5.28	-71.35
CC1CCCC(C)[NH+]1CCC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030206429	0	58	0.0	-73.38	433.35	4.82	-68.56
C[NH+](C)C1CCC(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030206432	0	55	0.0	-67.39	413.28	4.43	-62.96
C[NH+](C)CCC1(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030206433	0	52	0.0	-73.07	418.59	4.20	-68.87
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030206437	0	55	0.0	-68.20	414.91	4.43	-63.77
C[N@@H+]1CC=CCC1CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030206438	0	50	0.0	-69.31	387.43	3.78	-65.53
C[N@H+]1CC=CCC1CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030206438	1	50	0.0	-69.31	387.43	3.78	-65.53
C[C@@H](OCC[NH+](C)C)C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030206470	0	52	0.0	-72.08	418.24	3.48	-68.60
C[NH+]1C2CCC1CC(C(=O)NC1CC3(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030206505	0	53	0.0	-61.33	383.83	4.27	-57.06
CC(C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCSCC1	REAL300030206668	1	50	0.0	-66.69	396.36	3.59	-63.10
CCC1C[NH+](CC(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030206671	1	49	0.0	-76.30	395.41	3.56	-72.74
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1C[NH+](C2CCOCC2)C1	REAL300030206673	0	54	0.0	-70.73	424.25	2.71	-68.02
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1([NH+]2CCCC2)CCC1	REAL300030206675	0	53	0.0	-61.29	403.31	4.53	-56.76
C[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030206686	1	46	0.0	-75.34	362.61	2.28	-73.06
O=C(CC[N@@H+]1CCC(F)C1)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030206696	1	49	0.0	-78.24	397.22	3.55	-74.69
COC1C[N@@H+](C)C(C)(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030206705	1	53	0.0	-63.28	412.25	2.28	-61.00
O=C(CC[NH+]1CCCCCC1)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030206718	0	55	0.0	-68.16	414.99	4.38	-63.78
O=C(C[NH+]1CCCCC1)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030206721	0	49	0.0	-65.51	382.71	3.63	-61.88
CC1C(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030206731	0	49	0.0	-79.39	379.20	2.72	-76.67
CC1C(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030206731	1	49	0.0	-73.68	382.57	2.99	-70.69
C[N@@H+]1CCCCC1CCC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030206734	0	55	0.0	-77.34	416.55	4.47	-72.87
C[N@H+]1CCCCC1CCC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030206734	1	55	0.0	-73.65	424.08	4.63	-69.02
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@@H+]2CCOCC12	REAL300030206772	0	51	0.0	-73.68	399.62	1.86	-71.82
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@H+]2CCOCC12	REAL300030206772	1	51	0.0	-73.49	398.00	2.02	-71.47
CC1=[NH+]C=C2C=CC(C(=O)NC3CC4(C3)CN(C(=O)C3=CC(=O)[N-]O3)C4)=CN21	REAL300030206780	0	47	0.0	-72.57	394.20	5.03	-67.54
CN1CCOCC1CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030206803	0	50	0.0	-81.48	393.23	1.55	-79.93
C[N@@H+]1CCOCC1CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030206803	1	50	0.0	-80.92	393.24	1.53	-79.39
C[N@H+]1CCOCC1CC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030206803	1	50	0.0	-81.48	393.23	1.55	-79.93
CC1=C(C)[NH+]=C(CCC(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300030206815	1	50	0.0	-70.80	413.00	3.00	-67.80
C[NH+](C)CCC1=CC=CC(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030206827	0	55	0.0	-79.23	443.41	6.00	-73.23
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCN1CC1=CC=CC=C1	REAL300030206831	0	53	0.0	-74.18	424.45	5.23	-68.95
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300030206831	1	53	0.0	-75.43	424.48	5.23	-70.20
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@H+]1CC1=CC=CC=C1	REAL300030206831	1	53	0.0	-74.18	424.45	5.23	-68.95
CC(C)C[N@@H+]1CCCC(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030206835	0	58	0.0	-68.13	434.80	5.63	-62.50
CC(C)C[N@H+]1CCCC(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030206835	1	58	0.0	-74.17	443.92	5.43	-68.74
C[N@@H+]1CCCC1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030207003	0	46	0.0	-68.71	369.30	2.73	-65.98
C[N@H+]1CCCC1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030207003	1	46	0.0	-69.61	368.27	2.79	-66.82
C[N@@H+]1CCOC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030207029	1	47	0.0	-89.62	378.12	2.24	-87.38
C[N@H+]1CCOC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030207029	1	47	0.0	-72.37	378.00	2.24	-70.13
CC1=[NH+]C=CN1CCCC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030207202	1	50	0.0	-68.92	415.62	4.73	-64.19
O=C(CCCC[NH+]1CCOCC1)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030207206	1	56	0.0	-75.70	442.91	3.42	-72.28
C[NH+](C)CC1=CC=C(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C=C1	REAL300030207212	0	52	0.0	-79.85	418.73	4.85	-75.00
O=C(CC[NH+]1CCOCC1)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030207213	1	50	0.0	-74.79	399.91	1.83	-72.96
C[NH+](C)C(C)(C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=CC=C1	REAL300030207233	0	55	0.0	-75.19	413.74	5.23	-69.96
CCC[NH+](CCC)CCCC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030207241	0	60	0.0	-72.39	462.73	5.74	-66.65
CC[N@H+](C)C(C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=CC=C1	REAL300030207242	0	55	0.0	-65.94	437.17	5.98	-59.96
CC[N@@H+](C)C(C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=CC=C1	REAL300030207242	1	55	0.0	-69.41	431.03	5.89	-63.52
O=C(NC1CC2(C1)CN(C(=O)C13CCC[NH+]1CCC3)C2)C1=CC(=O)[N-]O1	REAL300030207260	0	50	0.0	-65.73	385.09	3.42	-62.31
O=C(NC1CC2(C1)CN(C(=O)C1=CC3=C[NH+]=CN3C=C1)C2)C1=CC(=O)[N-]O1	REAL300030207278	1	44	0.0	-67.96	368.51	4.94	-63.02
C[NH+](C)C1CCCC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030207358	0	55	0.0	-63.36	412.80	4.33	-59.03
C[N@@H+]1CCC(CC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030207365	0	49	0.0	-67.21	389.65	3.43	-63.78
C[N@H+]1CCC(CC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030207365	1	49	0.0	-73.05	391.83	3.42	-69.63
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030207379	0	48	0.0	-77.33	393.59	2.04	-75.29
CCC(C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030207385	0	48	0.0	-66.38	375.27	2.83	-63.55
O=C(NC1CC2(C1)CN(C(=O)C1=NN(C3=CC=[NH+]C=C3)C=C1)C2)C1=CC(=O)[N-]O1	REAL300030207395	1	47	0.0	-80.67	402.35	3.30	-77.37
CC1CC2CCC(C(=O)N3CC4(CC(NC(=O)C5=CC(=O)[N-]O5)C4)C3)C[N@@H+]2C1	REAL300030207447	0	56	0.0	-68.61	427.01	5.15	-63.46
CC1CC2CCC(C(=O)N3CC4(CC(NC(=O)C5=CC(=O)[N-]O5)C4)C3)C[N@H+]2C1	REAL300030207447	1	56	0.0	-59.10	422.33	5.17	-53.93
C[NH+](C)CCCCC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030207485	0	51	0.0	-73.70	410.01	3.95	-69.75
CC(C)C(C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030207509	0	51	0.0	-67.58	390.03	3.72	-63.86
CCC[N@H+](C)CCC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030207511	0	51	0.0	-72.45	406.18	3.81	-68.64
CCC[N@@H+](C)CCC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030207511	1	51	0.0	-72.59	406.18	3.82	-68.77
CCC[N@H+](C)CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030207518	0	48	0.0	-70.02	383.88	3.24	-66.78
CCC[N@@H+](C)CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030207518	1	48	0.0	-70.05	383.88	3.24	-66.81
O=C(NC1CC2(C1)CN(C(=O)C13CC[N@H+](C1)CCC3)C2)C1=CC(=O)[N-]O1	REAL300030207549	0	50	0.0	-65.89	379.80	2.87	-63.02
O=C(NC1CC2(C1)CN(C(=O)C13CC[N@@H+](C1)CCC3)C2)C1=CC(=O)[N-]O1	REAL300030207549	1	50	0.0	-64.50	379.84	2.85	-61.65
CCCCCC[N@H+](C)CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030207603	0	57	0.0	-71.21	448.37	5.58	-65.63
CCCCCC[N@@H+](C)CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030207603	1	57	0.0	-71.27	448.38	5.57	-65.70
CC[NH+](CC)C(C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)C(C)C	REAL300030207614	0	57	0.0	-66.64	420.28	4.55	-62.09
CC1CC[NH+](CC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030207659	0	52	0.0	-69.52	407.16	4.33	-65.19
O=C(NC1CC2(C1)CN(C(=O)C1=CN(C3=CC=[NH+]C=C3)N=C1)C2)C1=CC(=O)[N-]O1	REAL300030207691	1	47	0.0	-78.73	399.20	2.90	-75.83
C[NH+]1CCC(OCC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030207701	0	53	0.0	-77.44	424.60	3.96	-73.48
O=C(NC1CC2(C1)CN(C(=O)C1CC3CCCC[N@@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300030207774	0	53	0.0	-69.36	411.63	4.50	-64.86
O=C(NC1CC2(C1)CN(C(=O)C1CC3CCCC[N@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300030207774	1	53	0.0	-71.90	409.79	4.57	-67.33
C[NH+](C)CC1(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030207790	0	49	0.0	-74.64	391.90	3.52	-71.12
CC1=[NH+]C=C2CCC(C(=O)N3CC4(CC(NC(=O)C5=CC(=O)[N-]O5)C4)C3)CN21	REAL300030207791	1	51	0.0	-69.90	414.54	4.48	-65.42
CC(C)[NH+]1CCC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030207803	0	55	0.0	-72.84	421.20	4.47	-68.37
CC[N@H+](C)CCC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030207843	0	48	0.0	-71.81	384.68	3.07	-68.74
CC[N@@H+](C)CCC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030207843	1	48	0.0	-71.88	384.68	3.09	-68.79
CC(C)(C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCCCC1	REAL300030207879	0	55	0.0	-67.65	409.53	4.76	-62.89
O=C(NC1CC2(C1)CN(C(=O)C1C[NH+]3CCC1CC3)C2)C1=CC(=O)[N-]O1	REAL300030207898	0	50	0.0	-83.71	383.28	3.58	-80.13
C[NH+]1CCC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030208000	0	49	0.0	-75.04	384.69	3.26	-71.78
CC(C)[C@H](C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030208023	0	51	0.0	-68.79	390.51	3.55	-65.24
O=C(NC1CC2(C1)CN(C(=O)C1CC[NH+](CC3CC3)CC1)C2)C1=CC(=O)[N-]O1	REAL300030208125	0	56	0.0	-74.61	431.18	5.22	-69.39
CC[NH+](CC)CC(F)C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030208173	0	51	0.0	-72.06	407.39	3.80	-68.26
C[NH+](C)CC1=C(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)SC=C1	REAL300030208174	0	49	0.0	-60.98	404.38	4.23	-56.75
CC(C)C[N@@H+]1CCC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030208221	0	55	0.0	-72.86	427.11	4.72	-68.14
CC(C)C[N@H+]1CCC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030208221	1	55	0.0	-72.62	430.08	4.77	-67.85
C[NH+](C)C1(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CCC1	REAL300030208225	0	49	0.0	-76.57	374.73	3.06	-73.51
CCC(C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](CC)CC	REAL300030208264	0	54	0.0	-64.64	408.86	4.07	-60.57
CC1CCC[N@@H+]1CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030208296	0	49	0.0	-66.60	383.42	3.18	-63.42
CC1CCC[N@H+]1CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030208296	1	49	0.0	-66.58	383.31	3.18	-63.40
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030208395	1	53	0.0	-65.57	430.15	4.97	-60.60
CC(C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCCCCC1	REAL300030208402	0	55	0.0	-66.38	414.23	4.21	-62.17
CC(C)[N@@H+]1CCCCC1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030208405	0	55	0.0	-57.11	415.80	4.38	-52.73
CC(C)[N@H+]1CCCCC1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030208405	1	55	0.0	-67.14	417.55	4.36	-62.78
CC(C)[N@@H+]1CCCC1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030208440	0	52	0.0	-67.74	402.61	3.90	-63.84
CC(C)[N@H+]1CCCC1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030208440	1	52	0.0	-68.76	395.64	4.39	-64.37
C[NH+](C)C(CN1C=CC=N1)C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030208447	1	52	0.0	-66.21	417.01	3.04	-63.17
CC(C)[N@@H+]1CCCC1CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030208453	0	55	0.0	-58.48	412.08	4.40	-54.08
CC(C)[N@H+]1CCCC1CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030208453	1	55	0.0	-71.21	423.92	4.47	-66.74
O=C(NC1CC2(C1)CN(C(=O)C1CCC[N@@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300030208454	0	56	0.0	-70.40	420.23	5.57	-64.83
O=C(NC1CC2(C1)CN(C(=O)C1CCC[N@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300030208454	1	56	0.0	-71.69	422.15	5.54	-66.15
CC(C)[C@@H](C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030208481	0	51	0.0	-63.06	386.32	3.56	-59.50
CC1CC[N@H+](CC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030208518	0	49	0.0	-70.77	389.96	3.51	-67.26
CC1CC[N@@H+](CC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030208518	1	49	0.0	-70.94	389.95	3.51	-67.43
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030208519	0	55	0.0	-67.60	423.02	3.96	-63.64
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030208519	1	55	0.0	-61.96	423.99	4.12	-57.84
CC1=[NH+]C=C2CC(C(=O)N3CC4(CC(NC(=O)C5=CC(=O)[N-]O5)C4)C3)CCN21	REAL300030208521	1	51	0.0	-69.99	411.26	4.41	-65.58
C[NH+](C)CCC1=CC=C(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C=C1	REAL300030208523	0	55	0.0	-80.43	441.17	5.70	-74.73
CC1(C)CC[N@H+](CC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030208525	0	52	0.0	-70.83	409.52	4.10	-66.73
CC1(C)CC[N@@H+](CC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030208525	1	52	0.0	-63.27	408.53	4.13	-59.14
C[N@H+](CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)CC(C)(C)C	REAL300030208526	0	54	0.0	-69.52	414.28	4.32	-65.20
C[N@@H+](CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)CC(C)(C)C	REAL300030208526	1	54	0.0	-69.68	414.43	4.39	-65.29
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030208527	0	55	0.0	-74.04	443.79	6.25	-67.79
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030208527	1	55	0.0	-74.01	443.79	6.26	-67.75
CC[C@@H](C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030208539	0	48	0.0	-63.15	375.00	3.04	-60.11
CC(COCC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCCC1	REAL300030208547	0	56	0.0	-69.72	443.29	4.61	-65.11
CN(CCC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=[NH+]C=C1	REAL300030208720	0	51	0.0	-68.28	419.37	3.49	-64.79
CC1=[NH+]C=CN1CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030208853	1	44	0.0	-67.34	373.05	3.39	-63.95
CC(C[NH+]1CCOCC1)C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030208855	0	53	0.0	-75.56	416.80	2.44	-73.12
O=C(CCC[NH+]1CCCCC1)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030208877	0	55	0.0	-71.88	430.15	5.06	-66.82
C[NH+](C)CC1=CC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=NO1	REAL300030208900	1	48	0.0	-73.89	400.07	2.94	-70.95
CC1=C(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C=CC2=C[NH+]=CN21	REAL300030208902	0	47	0.0	-74.26	396.89	5.41	-68.85
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030208956	1	50	0.0	-65.82	410.46	4.55	-61.27
O=C(NC1CC2(C1)CN(C(=O)C1CCCC3CCC[N@@H+]31)C2)C1=CC(=O)[N-]O1	REAL300030209013	0	53	0.0	-62.80	411.12	4.59	-58.21
O=C(NC1CC2(C1)CN(C(=O)C1CCCC3CCC[N@H+]31)C2)C1=CC(=O)[N-]O1	REAL300030209013	1	53	0.0	-57.23	404.99	4.52	-52.71
CC[N@@H+]1CCOC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030209051	1	50	0.0	-84.51	397.24	2.83	-81.68
CC[N@H+]1CCOC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030209051	1	50	0.0	-66.33	386.64	2.67	-63.66
O=C(NC1CC2(C1)CN(C(=O)C1=CN3C=[NH+]C=C3C=C1)C2)C1=CC(=O)[N-]O1	REAL300030209136	0	44	0.0	-66.29	368.71	4.94	-61.35
CC1=C[NH+]=CN1CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030209141	1	44	0.0	-70.16	374.40	4.15	-66.01
C[NH+](C)CCN1C=C(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C=N1	REAL300030209147	0	52	0.0	-79.40	424.24	2.98	-76.42
C[NH+](C)CCN1C=CC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=N1	REAL300030209163	0	52	0.0	-81.65	427.36	3.37	-78.28
C[C@@H]1[C@H](C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300030209170	0	49	0.0	-74.71	381.33	2.80	-71.91
C[C@@H]1[C@H](C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300030209170	1	49	0.0	-75.23	384.99	3.49	-71.74
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030209173	1	53	0.0	-65.66	430.60	5.05	-60.61
CC[C@@H]1[C@@H](C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300030209176	0	52	0.0	-72.57	400.25	3.43	-69.14
CC[C@@H]1[C@@H](C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300030209176	1	52	0.0	-65.55	404.83	3.82	-61.73
CC1CCC(C)[NH+]1CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030209201	0	52	0.0	-66.26	401.78	3.82	-62.44
O=C(CCC[NH+]1CCCC1)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030209208	0	52	0.0	-71.70	414.48	4.36	-67.34
C[NH+](C)CC1=CC=CC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300030209209	0	52	0.0	-74.84	418.69	4.86	-69.98
C#CC[NH+]1CCC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030209217	0	51	0.0	-76.08	411.57	4.42	-71.66
O=C(CC[NH+]1CCCCC1)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030209218	0	52	0.0	-71.44	408.65	4.26	-67.18
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030209223	0	52	0.0	-63.69	414.78	4.91	-58.78
CC[N@@H+]1CCCCC1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030209233	0	52	0.0	-66.42	392.74	3.64	-62.78
CC[N@H+]1CCCCC1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030209233	1	52	0.0	-68.72	404.06	4.06	-64.66
CC(C)C(C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCCCC1	REAL300030209234	0	58	0.0	-66.33	428.31	5.36	-60.97
C[NH+](C)C(C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=CC=C1	REAL300030209237	1	52	0.0	-67.52	419.34	5.31	-62.21
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030209246	1	51	0.0	-69.20	416.24	5.89	-63.31
C[NH+](C)CC1(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CCCCC1	REAL300030209295	0	58	0.0	-81.64	420.24	5.42	-76.22
C[NH+](C)CCC1=CC=CC=C1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030209296	0	55	0.0	-66.15	437.97	5.66	-60.49
C[N@H+](CCC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCCCC1	REAL300030209302	0	58	0.0	-72.26	443.00	5.46	-66.80
C[N@@H+](CCC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCCCC1	REAL300030209302	1	58	0.0	-72.58	442.99	5.46	-67.12
C[NH+](C)C1(CC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CCCC1	REAL300030209305	0	55	0.0	-63.78	411.25	4.52	-59.26
C[N@H+](CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300030209567	0	49	0.0	-67.77	390.75	3.81	-63.96
C[N@@H+](CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300030209567	1	49	0.0	-68.12	390.88	3.82	-64.30
CC(C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1C(C)CCC1C	REAL300030209604	0	55	0.0	-63.53	415.26	4.18	-59.35
O=C(CCCC[NH+]1CCCC1)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030209624	0	55	0.0	-72.34	435.98	5.14	-67.20
C[N@H+](CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)CC1=CC=CC=C1	REAL300030209627	1	52	0.0	-74.05	421.31	5.41	-68.64
C[N@@H+](CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)CC1=CC=CC=C1	REAL300030209627	1	52	0.0	-74.13	421.30	5.42	-68.71
C[NH+]1CCC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030209645	0	49	0.0	-75.04	384.69	3.26	-71.78
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030209722	0	46	0.0	-68.95	363.74	2.32	-66.63
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030209722	1	46	0.0	-67.41	370.16	2.82	-64.59
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030209748	1	48	0.0	-68.48	390.21	3.55	-64.93
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030209748	1	48	0.0	-61.78	392.51	4.06	-57.72
C[N@@H+]1CCCC1CCC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030209758	0	52	0.0	-70.82	406.23	3.82	-67.00
C[N@H+]1CCCC1CCC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030209758	1	52	0.0	-72.62	406.51	3.89	-68.73
O=C(NC1CC2(C1)CN(C(=O)C13CCC[NH+](CCC1)C3)C2)C1=CC(=O)[N-]O1	REAL300030209772	0	53	0.0	-65.57	393.52	3.62	-61.95
O=C(NC1CC2(C1)CN(C(=O)C1CCC3CCCC[N@@H+]31)C2)C1=CC(=O)[N-]O1	REAL300030209780	0	53	0.0	-64.91	411.61	4.72	-60.19
O=C(NC1CC2(C1)CN(C(=O)C1CCC3CCCC[N@H+]31)C2)C1=CC(=O)[N-]O1	REAL300030209780	1	53	0.0	-68.87	405.06	4.33	-64.54
CCC[N@@H+]1CCCC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030209886	0	55	0.0	-66.84	419.42	4.83	-62.01
CCC[N@H+]1CCCC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030209886	1	55	0.0	-64.34	421.98	4.68	-59.66
CC(C)[N@@H+]1CCOC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030209910	0	53	0.0	-71.62	407.32	3.15	-68.47
CC(C)[N@H+]1CCOC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030209910	1	53	0.0	-75.93	406.94	3.16	-72.77
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030209931	0	56	0.0	-73.94	421.37	2.66	-71.28
C[N@@H+]1CCCCC1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030209952	0	49	0.0	-67.94	385.84	3.42	-64.52
C[N@H+]1CCCCC1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030209952	1	49	0.0	-62.33	384.97	3.48	-58.85
CC(C)C[N@@H+]1CCCC1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030209987	0	55	0.0	-70.89	417.36	5.20	-65.69
CC(C)C[N@H+]1CCCC1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030209987	1	55	0.0	-69.06	422.51	4.44	-64.62
O=C(C[NH+]1CCC(CO)CC1)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030210008	0	53	0.0	-72.62	417.99	1.02	-71.60
C[NH+]1C2CCC1CC(=CC(=O)N1CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300030210050	0	54	0.0	-66.78	415.81	4.80	-61.98
CC1C(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300030210072	0	49	0.0	-71.24	388.50	3.11	-68.13
CC1C(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300030210072	1	49	0.0	-65.49	384.34	3.47	-62.02
C[N@@H+]1CCCCC1CCC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030210076	0	55	0.0	-72.19	425.68	4.78	-67.41
C[N@H+]1CCCCC1CCC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030210076	1	55	0.0	-73.96	418.60	4.55	-69.41
NC1=[NH+]C2=C(C=C1C(=O)N1CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C1)CCC2	REAL300030210121	1	49	0.0	-56.93	396.93	2.71	-54.22
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030210213	0	52	0.0	-61.41	382.86	2.89	-58.52
CC(C)(C)[N@H+]1CCC1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030210213	1	52	0.0	-66.00	389.93	2.99	-63.01
O=C(NC1CC2(C1)CN(C(=O)C1CCN(C3=CC=[NH+]C=C3)C1)C2)C1=CC(=O)[N-]O1	REAL300030210233	0	52	0.0	-71.43	421.71	2.38	-69.05
C[C@@H](C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030210238	0	45	0.0	-68.83	363.07	2.23	-66.60
C[NH+](C)CC1=CC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=CC=N1	REAL300030210260	1	51	0.0	-72.19	414.68	3.42	-68.77
C=CCC(C)(C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030210266	0	52	0.0	-70.16	392.69	3.57	-66.59
CC[NH+](CC)CCSCC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030210300	0	55	0.0	-74.63	447.18	5.17	-69.46
NC1=C(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C=[NH+]C2=CC=CC=C21	REAL300030210301	1	48	0.0	-66.05	396.14	2.10	-63.95
O=C(CC[NH+]1CCCC1)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030210306	0	49	0.0	-71.56	392.98	3.54	-68.02
C[N@H+](CCO)CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030210316	1	46	0.0	-70.81	372.73	-0.75	-71.56
C[N@@H+](CCO)CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030210316	1	46	0.0	-70.35	372.52	-0.75	-71.10
O=C(NC1CC2(C1)CN(C(=O)C1C[N@@H+]3CCN1CCC3)C2)C1=CC(=O)[N-]O1	REAL300030210362	0	52	0.0	-85.63	385.98	1.46	-84.17
O=C(NC1CC2(C1)CN(C(=O)C1C[N@H+]3CCN1CCC3)C2)C1=CC(=O)[N-]O1	REAL300030210362	1	52	0.0	-77.35	392.57	1.13	-76.22
CC(C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCSCC1	REAL300030210399	1	50	0.0	-70.64	403.31	3.82	-66.82
C[N@H+]1CC=C(CC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030210454	0	50	0.0	-67.23	401.99	4.20	-63.03
C[N@@H+]1CC=C(CC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030210454	1	50	0.0	-66.09	401.97	4.21	-61.88
C[S+](C)CCC(O)C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030210474	0	48	0.0	-78.20	406.99	1.34	-76.86
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030210502	0	50	0.0	-81.36	384.58	-0.29	-81.65
C[N@H+]1CC(O)CC1(C)C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030210502	1	50	0.0	-69.62	389.74	-0.57	-70.19
CN1CC[N@H+](C)CC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030210520	0	54	0.0	-64.42	411.34	1.82	-62.60
CN1CC[N@@H+](C)CC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030210520	1	54	0.0	-63.42	411.80	1.38	-62.04
CC(C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[N@@H+]1CCCC(O)C1	REAL300030210521	0	53	0.0	-67.96	413.77	0.91	-67.05
CC(C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[N@H+]1CCCC(O)C1	REAL300030210521	1	53	0.0	-69.13	414.76	0.71	-68.42
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030210558	0	49	0.0	-68.16	405.21	2.63	-65.53
C[N@@H+]1CCCC(O)(CC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030210566	0	53	0.0	-72.41	412.03	2.33	-70.08
C[N@H+]1CCCC(O)(CC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030210566	1	53	0.0	-62.73	413.15	2.25	-60.48
CC1C[NH+](CC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030210573	1	46	0.0	-70.62	374.72	2.98	-67.64
CC[N@@H+]1CCCC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030210581	0	52	0.0	-66.61	397.92	4.08	-62.53
CC[N@H+]1CCCC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030210581	1	52	0.0	-73.60	402.84	3.98	-69.62
NC1=[NH+]C=CC=C1CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030210595	0	45	0.0	-67.34	378.89	1.64	-65.70
O=C(NC1CC2(C1)CN(C(=O)C1CCC[N@@H+]1C1CC1)C2)C1=CC(=O)[N-]O1	REAL300030210611	0	50	0.0	-69.74	396.30	3.80	-65.94
O=C(NC1CC2(C1)CN(C(=O)C1CCC[N@H+]1C1CC1)C2)C1=CC(=O)[N-]O1	REAL300030210611	1	50	0.0	-70.92	394.30	3.63	-67.29
O=C(C=CC[NH+]1CCCC1)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030210674	0	50	0.0	-74.32	406.81	4.22	-70.10
O=C(NC1CC2(C1)CN(C(=O)C1CC[NH+](C3CC3)CC1)C2)C1=CC(=O)[N-]O1	REAL300030210706	0	53	0.0	-72.32	414.02	4.69	-67.63
CC[N@H+](C)CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030210764	0	45	0.0	-69.78	362.38	2.50	-67.28
O=C(CN1CC2C=CC1C2)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030210843	0	48	0.0	-69.95	383.81	3.82	-66.13
O=C(C[N@@H+]1CC2C=CC1C2)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030210843	1	48	0.0	-68.74	382.52	3.75	-64.99
O=C(C[N@H+]1CC2C=CC1C2)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030210843	1	48	0.0	-68.74	382.52	3.75	-64.99
CC1=CC=C(NCCC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)[NH+]=C1	REAL300030210868	1	51	0.0	-67.15	423.52	3.24	-63.91
O=C(NC1CC2(C1)CN(C(=O)C1C[NH+]3CCN1CC3)C2)C1=CC(=O)[N-]O1	REAL300030210952	0	49	0.0	-84.74	378.04	0.20	-84.54
O=C(NC1CC2(C1)CN(C(=O)C13CCC[N@@H+]1CCCC3)C2)C1=CC(=O)[N-]O1	REAL300030211013	0	53	0.0	-67.95	393.18	4.07	-63.88
O=C(NC1CC2(C1)CN(C(=O)C13CCC[N@H+]1CCCC3)C2)C1=CC(=O)[N-]O1	REAL300030211013	1	53	0.0	-68.17	396.98	4.08	-64.09
O=C(NC1CC2(C1)CN(C(=O)C13CCC[N@@H+]1CC=CC3)C2)C1=CC(=O)[N-]O1	REAL300030211025	0	51	0.0	-67.55	388.74	3.73	-63.82
O=C(NC1CC2(C1)CN(C(=O)C13CCC[N@H+]1CC=CC3)C2)C1=CC(=O)[N-]O1	REAL300030211025	1	51	0.0	-59.46	387.43	3.76	-55.70
CC(OCC[NH+](C)C)C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030211039	0	52	0.0	-74.09	418.07	3.46	-70.63
C[NH+](C)CCOCCC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030211052	0	52	0.0	-71.63	421.47	2.63	-69.00
COCC[N@H+](C)CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030211054	1	49	0.0	-70.09	394.77	1.64	-68.45
COCC[N@@H+](C)CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030211054	1	49	0.0	-70.92	394.99	1.66	-69.26
O=C(NC1CC2(C1)CN(C(=O)C1C[NH+](C3CCOC3)C1)C2)C1=CC(=O)[N-]O1	REAL300030211056	0	51	0.0	-76.09	411.22	2.24	-73.85
CC(CCC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030211061	0	51	0.0	-71.33	401.93	3.57	-67.76
C[NH+]1CCC(=CC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030211091	0	50	0.0	-72.56	398.07	4.09	-68.47
CC[N@H+](CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300030211104	0	49	0.0	-66.50	393.81	3.86	-62.64
CC[N@@H+](CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300030211104	1	49	0.0	-68.18	386.02	3.71	-64.47
C[NH+](C)C1(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CCCSC1	REAL300030211109	0	53	0.0	-77.28	403.08	4.15	-73.13
CC1C[N@@H+]2CCN1C(C(=O)N1CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300030211124	0	52	0.0	-77.55	396.41	0.73	-76.82
CC1C[N@H+]2CCN1C(C(=O)N1CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300030211124	1	52	0.0	-82.73	395.83	0.72	-82.01
C[N@@H+]1CC2CC1(C(=O)N1CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300030211163	0	47	0.0	-79.95	372.23	3.04	-76.91
C[N@H+]1CC2CC1(C(=O)N1CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300030211163	1	47	0.0	-75.34	369.75	2.96	-72.38
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030211175	1	49	0.0	-70.60	409.46	2.48	-68.12
O=C(C[N@@H+]1CC2CCC1C2)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030211184	0	50	0.0	-67.55	391.60	3.93	-63.62
O=C(C[N@H+]1CC2CCC1C2)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030211184	1	50	0.0	-67.74	391.25	3.93	-63.81
CC(C)[NH+]1CCC(CC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030211202	0	58	0.0	-68.47	438.44	5.19	-63.28
CC(C[NH+](C)C)C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030211218	0	48	0.0	-71.75	380.31	2.89	-68.86
C[NH+](C)C1(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030211239	0	46	0.0	-79.63	367.46	2.81	-76.82
C[C@H](C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030211272	0	45	0.0	-68.69	362.36	2.20	-66.49
CC[N@@H+]1CCC1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030211286	1	46	0.0	-70.03	369.05	2.56	-67.47
CC[N@H+]1CCC1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030211286	1	46	0.0	-67.89	368.70	2.44	-65.45
CC(C)[N@@H+]1CCCC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030211304	0	55	0.0	-62.64	419.39	4.46	-58.18
CC(C)[N@H+]1CCCC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030211304	1	55	0.0	-71.03	420.84	4.43	-66.60
CCC(C)(C)[NH2+]C(C)C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030211332	0	54	0.0	-66.33	407.31	2.21	-64.12
C#CC[N@H+]1CCCCC1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030211392	1	51	0.0	-61.28	396.59	4.21	-57.07
C#CC[N@@H+]1CCCCC1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030211392	1	51	0.0	-69.84	398.26	4.16	-65.68
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030211396	1	48	0.0	-64.61	392.58	2.48	-62.13
NC1=CC=[NH+]C=C1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030211397	0	42	0.0	-71.74	351.35	-0.15	-71.89
C[NH+](C)C(CC1=CC=CC=C1)C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030211403	0	55	0.0	-74.09	431.02	5.70	-68.39
CCCC(C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030211410	0	51	0.0	-69.48	398.80	3.73	-65.75
C[NH+](C)C(C)(C)C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030211418	0	48	0.0	-73.09	368.06	2.84	-70.25
CC(CC[NH+](C)C)C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030211445	0	51	0.0	-72.52	401.96	3.51	-69.01
O=C(NC1CC2(C1)CN(C(=O)[C@@H]1CCC[N@@H+]3CCCC[C@H]13)C2)C1=CC(=O)[N-]O1	REAL300030211514	0	56	0.0	-73.33	412.31	4.38	-68.95
O=C(NC1CC2(C1)CN(C(=O)[C@@H]1CCC[N@H+]3CCCC[C@H]13)C2)C1=CC(=O)[N-]O1	REAL300030211514	1	56	0.0	-60.06	415.27	5.12	-54.94
O=C(NC1CC2(C1)CN(C(=O)C13CC(C1)C[N@@H+]3C1CC1)C2)C1=CC(=O)[N-]O1	REAL300030211555	0	51	0.0	-69.96	397.95	4.85	-65.11
O=C(NC1CC2(C1)CN(C(=O)C13CC(C1)C[N@H+]3C1CC1)C2)C1=CC(=O)[N-]O1	REAL300030211555	1	51	0.0	-73.99	393.01	5.12	-68.87
COCCCC[N@H+](C)CCC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030211607	0	58	0.0	-76.13	461.35	3.66	-72.47
COCCCC[N@@H+](C)CCC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030211607	1	58	0.0	-76.32	461.35	3.67	-72.65
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030211619	0	52	0.0	-62.70	401.96	3.54	-59.16
C[N@H+]1CC(C)(C)CC1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030211619	1	52	0.0	-67.16	409.39	3.99	-63.17
C[NH+](C)CCCCCC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030211625	0	54	0.0	-73.27	431.51	4.74	-68.53
O=C(CC[NH+]1CCC(O)CC1)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030211631	0	53	0.0	-75.15	419.28	0.87	-74.28
CCC[N@@H+]1CCCCC1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030211637	0	55	0.0	-67.46	425.15	4.81	-62.65
CCC[N@H+]1CCCCC1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030211637	1	55	0.0	-69.14	425.60	4.80	-64.34
CC[NH+]1CCN(CCC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030211648	0	57	0.0	-72.27	442.76	2.45	-69.82
CCN1CC[NH+](CCC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030211648	1	57	0.0	-72.93	443.26	2.49	-70.44
C[NH+]1CCN(CC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030211652	1	51	0.0	-71.69	404.06	1.32	-70.37
CC(C)C[NH+]1CCC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030211795	0	58	0.0	-74.69	443.36	5.36	-69.33
CC1C[N@H+](C)CC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300030211798	1	50	0.0	-84.40	398.48	2.87	-81.53
CC1C[N@@H+](C)CC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300030211798	1	50	0.0	-87.15	400.65	2.91	-84.24
CCC1CCC[N@H+](CC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030211840	0	55	0.0	-63.74	416.86	4.95	-58.79
CCC1CCC[N@@H+](CC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030211840	1	55	0.0	-63.44	416.38	4.55	-58.89
C[NH+](C)CC1=CC=C(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)N1	REAL300030211851	0	50	0.0	-81.22	407.03	3.21	-78.01
O=C(C[NH+]1CC2CC2C1)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030211876	0	47	0.0	-69.52	379.66	3.66	-65.86
O=C(CC1([NH+]2CCCC2)CC1)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030211899	0	53	0.0	-67.40	409.73	4.60	-62.80
CC([NH2+]C1(CO)CCCC1)C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030211922	0	56	0.0	-69.36	431.29	-0.01	-69.37
C[N@@H+]1CCCCC1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030211959	0	49	0.0	-67.94	385.84	3.42	-64.52
C[N@H+]1CCCCC1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030211959	1	49	0.0	-62.33	384.97	3.48	-58.85
O=C(NC1CC2(C1)CN(C(=O)C1CC[N@@H+]1CC1=CC=CC=C1)C2)C1=CC(=O)[N-]O1	REAL300030211967	1	53	0.0	-75.48	436.10	5.85	-69.63
O=C(NC1CC2(C1)CN(C(=O)C1CC[N@H+]1CC1=CC=CC=C1)C2)C1=CC(=O)[N-]O1	REAL300030211967	1	53	0.0	-62.84	427.07	5.61	-57.23
CC(C)C[N@@H+]1CCCC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030211974	0	58	0.0	-67.15	432.15	5.54	-61.61
CC(C)C[N@H+]1CCCC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030211974	1	58	0.0	-72.08	443.10	5.35	-66.73
C[NH+](C)C1CCN(CC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030212049	0	57	0.0	-71.90	437.99	2.51	-69.39
C[N@@H+]1CCC(=CC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030212131	0	47	0.0	-77.30	382.24	3.40	-73.90
C[N@H+]1CCC(=CC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030212131	1	47	0.0	-69.48	381.55	3.41	-66.07
O=C(CNC1=CC=[NH+]C=C1)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030212139	0	45	0.0	-70.74	380.37	1.10	-69.64
CC[NH+]1CCN(CC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030212212	0	54	0.0	-70.60	421.30	1.95	-68.65
O=C(C=C1C[NH+]2CCC1CC2)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030212215	0	51	0.0	-68.24	400.91	4.21	-64.03
C[NH+](C)C1(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CCCC1	REAL300030212271	0	52	0.0	-76.89	385.58	3.49	-73.40
C[N@H+](CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[C@@H]1CCC[C@H]1O	REAL300030212288	0	53	0.0	-62.86	413.82	1.09	-61.77
C[N@@H+](CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[C@@H]1CCC[C@H]1O	REAL300030212288	1	53	0.0	-62.63	413.13	1.14	-61.49
CCC1C[NH+](CC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030212296	1	49	0.0	-70.97	397.20	3.71	-67.26
O=C(NC1CC2(C1)CN(C(=O)C1C[NH+](C3CCOCC3)C1)C2)C1=CC(=O)[N-]O1	REAL300030212300	0	54	0.0	-75.72	428.36	2.77	-72.95
O=C(NC1CC2(C1)CN(C(=O)C1([NH+]3CCCC3)CCC1)C2)C1=CC(=O)[N-]O1	REAL300030212303	0	53	0.0	-62.97	399.10	4.53	-58.44
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030212320	0	46	0.0	-61.89	364.45	2.78	-59.11
C[N@H+]1CCC[C@H]1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030212320	1	46	0.0	-69.47	363.85	2.29	-67.18
CC[N@@H+]1CCOCC1CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030212362	0	53	0.0	-72.18	408.06	2.17	-70.01
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)NC3=C1CCC[NH2+]3)C2)C1=CC(=O)[N-]O1	REAL300030212371	0	50	0.0	-87.70	412.36	1.25	-86.45
O=C(NC1CC2(C1)CN(C(=O)C1C[NH+](C3CCCCC3)C1)C2)C1=CC(=O)[N-]O1	REAL300030212391	0	56	0.0	-71.00	436.15	5.19	-65.81
COC1C[N@@H+]2CCCC2(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030212413	0	54	0.0	-65.17	418.47	2.29	-62.88
COC1C[N@H+]2CCCC2(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030212413	1	54	0.0	-65.17	418.47	2.29	-62.88
NC1=NC2=CC(C(=O)N3CC4(CC(NC(=O)C5=CC(=O)[N-]O5)C4)C3)=CC=C2N1	REAL300030212490	0	46	0.0	-61.27	382.93	2.69	-58.58
NC1=[NH+]C2=CC(C(=O)N3CC4(CC(NC(=O)C5=CC(=O)[N-]O5)C4)C3)=CC=C2N1	REAL300030212490	1	46	0.0	-61.27	382.93	2.69	-58.58
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030212546	0	49	0.0	-72.90	394.14	3.57	-69.33
C[NH+](C)CCC1(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CCCC1	REAL300030212559	0	58	0.0	-85.35	438.08	5.08	-80.27
CC1CCCC(C)[NH+]1CCC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030212561	0	58	0.0	-68.60	435.28	4.92	-63.68
C[NH+](C)C1CCC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030212564	0	55	0.0	-75.35	424.52	4.54	-70.81
C[NH+](C)CCC1(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030212565	0	52	0.0	-81.93	417.94	4.37	-77.56
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030212570	0	55	0.0	-64.80	412.74	4.34	-60.46
C[N@@H+]1CC=CCC1CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030212571	0	50	0.0	-66.70	394.06	3.93	-62.77
C[N@H+]1CC=CCC1CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030212571	1	50	0.0	-75.75	395.78	3.90	-71.85
CC1=CC(C=CC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=C[NH+]=C1N	REAL300030212644	1	49	0.0	-72.96	409.66	2.77	-70.19
C[NH+](C)CCOCC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030212661	0	49	0.0	-72.04	400.45	2.96	-69.08
CCCCC[N@H+](C)CCC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030212668	0	57	0.0	-73.34	449.18	5.37	-67.97
CCCCC[N@@H+](C)CCC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030212668	1	57	0.0	-73.50	449.18	5.38	-68.12
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300030212683	0	53	0.0	-75.14	421.76	3.75	-71.39
[NH2+]=C1SC=CN1CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030212718	0	42	0.0	-66.71	371.72	1.99	-64.72
C[C@@H](OCC[NH+](C)C)C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030212821	0	52	0.0	-69.53	418.09	3.45	-66.08
O=C(CC[NH+]1CCCCCC1)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030212904	0	55	0.0	-73.37	418.65	4.44	-68.93
O=C(C[NH+]1CCCCC1)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030212909	0	49	0.0	-68.88	386.31	3.72	-65.16
C[N@@H+]1CCCC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030212911	0	49	0.0	-73.39	380.19	3.26	-70.13
C[N@H+]1CCCC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030212911	1	49	0.0	-71.23	386.50	3.25	-67.98
O=C(C[NH+]1CCC(CO)CC1)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030212913	0	53	0.0	-72.62	417.99	1.02	-71.60
O=C(C[NH+]1CCCCCC1)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030212919	0	52	0.0	-68.97	395.72	3.89	-65.08
CN1C=C[N+](CC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300030212926	0	44	0.0	-67.57	375.82	5.36	-62.21
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030212947	0	58	0.0	-77.63	426.29	4.56	-73.07
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030212947	1	58	0.0	-75.55	427.99	4.54	-71.01
C[NH+](C)CC1=CC=C(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300030212953	1	49	0.0	-77.57	407.23	3.56	-74.01
C[NH+](C)CC1=CC=C(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C=N1	REAL300030212962	0	51	0.0	-78.16	414.47	3.03	-75.13
O=C(C[NH+]1CCC(O)CC1)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030212983	1	50	0.0	-73.54	397.40	0.37	-73.17
C[N@H+](CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300030212990	0	46	0.0	-66.88	373.85	3.25	-63.63
C[N@@H+](CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300030212990	1	46	0.0	-67.73	374.07	3.24	-64.49
CC(C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)N1CC[NH+](C)CC1	REAL300030212992	1	54	0.0	-71.27	413.22	1.41	-69.86
O=C(CC[N@H+]1CCC(F)C1)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030212998	0	49	0.0	-76.36	398.69	3.64	-72.72
O=C(CC[N@@H+]1CCC(F)C1)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030212998	1	49	0.0	-79.13	398.88	3.64	-75.49
COC1C[N@H+](C)C(C)(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030213015	0	53	0.0	-79.57	407.01	2.00	-77.57
COC1C[N@@H+](C)C(C)(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030213015	1	53	0.0	-77.40	406.55	2.10	-75.30
C[NH+](C)CCC1=CC=CC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300030213037	0	55	0.0	-76.45	441.00	5.70	-70.75
CC(CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300030213043	0	51	0.0	-73.25	401.77	3.86	-69.39
O=C(NC1CC2(C1)CN(C(=O)C1CC[N@@H+]3CCOCC13)C2)C1=CC(=O)[N-]O1	REAL300030213066	0	51	0.0	-64.68	398.77	1.98	-62.70
O=C(NC1CC2(C1)CN(C(=O)C1CC[N@H+]3CCOCC13)C2)C1=CC(=O)[N-]O1	REAL300030213066	1	51	0.0	-79.26	399.71	2.06	-77.20
CC1=[NH+]C=C2C=CC(C(=O)N3CC4(CC(NC(=O)C5=CC(=O)[N-]O5)C4)C3)=CN21	REAL300030213075	0	47	0.0	-72.67	389.64	4.70	-67.97
C[N@@H+]1CCOCC1CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030213099	1	50	0.0	-62.68	385.97	1.54	-61.14
C[N@H+]1CCOCC1CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030213099	1	50	0.0	-69.80	387.70	1.53	-68.27
C[NH+](C)CC(C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=CC=C1	REAL300030213109	0	55	0.0	-72.87	441.87	5.82	-67.05
CC[NH+]1CCN(CC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030213115	0	54	0.0	-70.60	421.30	1.95	-68.65
CC1=CC(N)=[NH+]C=C1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030213189	1	45	0.0	-71.68	373.81	1.17	-70.51
NC1=CC=C(CCC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C=[NH+]1	REAL300030213192	0	48	0.0	-70.64	403.60	2.36	-68.28
CC1(O)CC[N@H+](CC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030213260	0	50	0.0	-69.02	400.73	0.23	-68.79
CC1(O)CC[N@@H+](CC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030213260	1	50	0.0	-70.95	400.45	0.23	-70.72
C[NH+](C)CCN1N=CC=C1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030213271	0	52	0.0	-67.11	417.65	3.06	-64.05
C[NH+]1CC(CC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030213311	0	46	0.0	-72.14	376.07	2.64	-69.50
O=C(NC1CC2(C1)CN(C(=O)C1CC[N@@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300030213317	0	53	0.0	-68.16	410.10	4.29	-63.87
O=C(NC1CC2(C1)CN(C(=O)C1CC[N@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300030213317	1	53	0.0	-72.82	415.28	4.63	-68.19
C[NH+](C)CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030213327	0	42	0.0	-70.62	344.65	1.83	-68.79
C[N@H+](CCO)CCC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030213374	0	49	0.0	-72.09	395.03	-0.14	-72.23
C[N@@H+](CCO)CCC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030213374	1	49	0.0	-71.11	394.98	-0.14	-71.25
C[C@@H](C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030213375	0	45	0.0	-68.83	363.07	2.23	-66.60
C[N@@H+]1CCCCC1CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030213403	0	52	0.0	-64.35	396.35	3.91	-60.44
C[N@H+]1CCCCC1CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030213403	1	52	0.0	-66.21	402.08	4.06	-62.15
CC1=C2C=C(C(=O)N3CC4(CC(NC(=O)C5=CC(=O)[N-]O5)C4)C3)C=CN2C=[NH+]1	REAL300030213437	1	47	0.0	-66.02	390.92	5.52	-60.50
CC(C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CC(C)C1	REAL300030213438	0	49	0.0	-67.56	389.70	3.29	-64.27
CC1CC[N@@H+]1CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030213444	1	46	0.0	-70.13	370.39	2.65	-67.48
CC1CC[N@H+]1CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030213444	1	46	0.0	-62.37	369.22	2.77	-59.60
C[NH+](C)CC=CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030213465	0	46	0.0	-75.11	381.56	3.08	-72.03
CC1(C)C[NH+](CC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030213481	1	49	0.0	-70.13	395.06	3.41	-66.72
O=C(CCCC[NH+]1CCCCC1)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030213495	0	58	0.0	-72.47	451.65	5.83	-66.64
CC1=C(C)[NH+]=C(CCC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)N1	REAL300030213510	1	50	0.0	-66.07	414.82	3.14	-62.93
C[NH+]1CCC(C2(C(=O)N3CC4(CC(NC(=O)C5=CC(=O)[N-]O5)C4)C3)CC2)CC1	REAL300030213524	0	56	0.0	-77.89	431.45	5.00	-72.89
CC1=C2C=C(C(=O)N3CC4(CC(NC(=O)C5=CC(=O)[N-]O5)C4)C3)C=CN2C=[NH+]1	REAL300030213534	1	47	0.0	-66.02	390.92	5.52	-60.50
C[NH+](C)CCSCC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030213547	0	49	0.0	-76.94	411.48	3.79	-73.15
CC(C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300030213568	0	55	0.0	-70.12	439.24	5.78	-64.34
CC(C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300030213568	1	55	0.0	-71.09	439.19	5.77	-65.32
NC1=[NH+]C2=C(C=C1C(=O)N1CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C1)CCCC2	REAL300030213572	1	52	0.0	-62.86	413.92	3.20	-59.66
O=C(C[N@H+]1CCCC1CO)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030213580	0	50	0.0	-68.96	394.27	-0.11	-69.07
O=C(C[N@@H+]1CCCC1CO)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030213580	1	50	0.0	-68.99	394.25	-0.10	-69.09
CC[NH+](CC)CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030213583	0	48	0.0	-68.33	376.24	2.90	-65.43
C[N@H+](CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCSC1	REAL300030213596	0	50	0.0	-75.33	404.07	4.08	-71.25
C[N@@H+](CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCSC1	REAL300030213596	1	50	0.0	-75.02	403.93	4.06	-70.96
O=C(C[NH+]1CCC1)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030213598	1	43	0.0	-70.29	354.75	2.25	-68.04
CC[NH+](CC)CCC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030213664	0	51	0.0	-71.16	402.60	3.75	-67.41
NC(=O)C1CC[NH+](CC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030213690	0	53	0.0	-78.42	422.23	0.39	-78.03
C[NH+](C)CC1=CNC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300030213749	0	50	0.0	-75.81	406.84	3.10	-72.71
CC(C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCC(O)CC1	REAL300030213775	0	53	0.0	-69.45	405.64	0.42	-69.03
O=C(NC1CC2(C1)CN(C(=O)C1CC3COCC[N@@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300030213783	0	51	0.0	-76.81	401.46	2.16	-74.65
O=C(NC1CC2(C1)CN(C(=O)C1CC3COCC[N@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300030213783	1	51	0.0	-70.23	400.12	2.06	-68.17
CC(C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCC1	REAL300030213805	1	46	0.0	-67.68	370.00	2.63	-65.05
CCC(CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300030213817	0	54	0.0	-67.68	419.82	4.47	-63.21
NC1=CC=C(C=CC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C=[NH+]1	REAL300030213826	0	46	0.0	-74.38	391.68	2.06	-72.32
C[NH+](C)CC(C)(C)C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030213827	0	51	0.0	-71.39	387.55	3.07	-68.32
C[NH+](C)C(CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=CC=C1	REAL300030213872	0	55	0.0	-67.05	432.34	5.73	-61.32
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030213910	0	49	0.0	-62.49	373.24	3.06	-59.43
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030213910	1	49	0.0	-61.51	384.27	3.46	-58.05
CC1CN2CC[N@@H+]1CC2C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030213927	0	52	0.0	-67.53	391.09	0.58	-66.95
CC1CN2CC[N@H+]1CC2C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030213927	1	52	0.0	-68.42	392.76	0.65	-67.77
C[NH+](C)CC(O)CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030213960	0	49	0.0	-76.02	397.24	0.88	-75.14
C[NH+]1C2CCC1CC(C(=O)N1CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300030213963	0	53	0.0	-71.17	381.61	4.01	-67.16
C=CCC(C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030214017	0	49	0.0	-65.48	387.81	3.30	-62.18
O=C(NC1CC2(C1)CN(C(=O)C1CC3CCCC[N@@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300030214032	0	53	0.0	-69.36	411.63	4.50	-64.86
O=C(NC1CC2(C1)CN(C(=O)C1CC3CCCC[N@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300030214032	1	53	0.0	-71.90	409.79	4.57	-67.33
C[NH+]1CCC(C)(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030214049	0	52	0.0	-71.68	395.43	3.42	-68.26
C[NH+]1CCC(O)(CC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030214055	0	53	0.0	-72.86	415.20	2.19	-70.67
COCC[N@@H+]1CCCC1CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030214071	0	56	0.0	-64.60	432.15	3.20	-61.40
COCC[N@H+]1CCCC1CC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030214071	1	56	0.0	-69.29	442.98	3.26	-66.03
C[NH+]1C2CCC1CC(CC(=O)N1CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300030214086	0	56	0.0	-74.26	410.25	4.31	-69.95
C[NH+](C)CCN1N=CC=C1C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030214131	0	52	0.0	-70.00	422.46	3.17	-66.83
C[NH+]1CCC(C2(C(=O)NC3CC4(C3)CN(C(=O)C3=CC(=O)[N-]O3)C4)CC2)CC1	REAL300030214180	0	56	0.0	-69.19	430.80	5.46	-63.73
CC1=C2C=C(C(=O)NC3CC4(C3)CN(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300030214192	1	47	0.0	-66.16	393.31	5.84	-60.32
C[NH+](C)CCSCC(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030214204	0	49	0.0	-71.76	407.86	3.69	-68.07
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2COCC[N@@H+]2C1	REAL300030214216	0	51	0.0	-74.96	401.01	2.10	-72.86
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2COCC[N@H+]2C1	REAL300030214216	1	51	0.0	-67.29	399.78	2.12	-65.17
C[NH+](C)CC(=O)NCC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCOCC1	REAL300030214255	0	58	0.0	-67.48	410.08	3.69	-63.79
C[NH+](C)CC(=O)N1CCC(C2(CNC(=O)C3=CC(=O)[N-]O3)CCOCC2)CC1	REAL300030214340	0	58	0.0	-57.11	413.14	3.77	-53.34
CC1CCN(C(=O)C2CCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030214498	0	48	0.0	-69.26	352.85	4.63	-64.63
CC1CCN(C(=O)C2CCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030214498	1	48	0.0	-61.96	352.42	4.30	-57.66
CC1CCN(C(=O)C2C[N@H+](C)CCO2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030214522	1	49	0.0	-88.72	362.70	3.64	-85.08
CC1CCN(C(=O)C2C[N@@H+](C)CCO2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030214522	1	49	0.0	-56.22	352.11	3.50	-52.72
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030214706	1	55	0.0	-64.09	415.28	6.63	-57.46
CC(C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCCCC1	REAL300030214713	0	57	0.0	-58.09	393.32	5.75	-52.34
CC(C)[N@@H+]1CCCCC1C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030214715	0	57	0.0	-48.19	385.84	5.41	-42.78
CC(C)[N@H+]1CCCCC1C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030214715	1	57	0.0	-62.07	397.67	6.09	-55.98
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030214749	0	54	0.0	-64.15	380.71	5.89	-58.26
CC(C)[N@H+]1CCCC1C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030214749	1	54	0.0	-66.80	383.48	5.60	-61.20
CC1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030214775	0	55	0.0	-65.43	396.50	6.50	-58.93
CC1CCN(C(=O)C2CC3CCCC[N@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030214775	1	55	0.0	-66.99	395.08	6.41	-60.58
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030214808	1	52	0.0	-56.95	394.39	6.21	-50.74
CC1=[NH+]C=CN1CC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030214862	1	46	0.0	-65.53	361.15	5.47	-60.06
CC(C[NH+]1CCOCC1)C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030214864	0	55	0.0	-69.00	398.47	3.94	-65.06
CC1CCN(C(=O)CCC[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030214886	0	57	0.0	-61.02	414.14	6.75	-54.27
CC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030214913	0	57	0.0	-53.82	379.24	5.28	-48.54
CC1CCN(C(=O)C2C[NH+]3CCC2CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030214932	0	52	0.0	-73.83	367.51	5.37	-68.46
CC1CCN(C(=O)C2CCCC3CCC[N@@H+]32)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030214990	0	55	0.0	-61.74	392.58	6.47	-55.27
CC1CCN(C(=O)C2CCCC3CCC[N@H+]32)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030214990	1	55	0.0	-64.65	379.93	5.95	-58.70
CC1CCN(C(=O)C2=CN(CC[NH+](C)C)N=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030214992	0	54	0.0	-77.28	405.81	4.48	-72.80
CC1CCN(C(=O)C2=NN(CC[NH+](C)C)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030215007	0	54	0.0	-67.48	404.90	5.78	-61.70
C[C@@H]1[C@H](C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300030215014	0	51	0.0	-70.89	363.03	4.77	-66.12
C[C@@H]1[C@H](C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300030215014	1	51	0.0	-54.06	366.74	4.62	-49.44
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030215017	1	55	0.0	-55.32	414.59	6.72	-48.60
CC[C@@H]1[C@@H](C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300030215020	0	54	0.0	-59.77	374.73	4.59	-55.18
CC[C@@H]1[C@@H](C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300030215020	1	54	0.0	-64.53	389.36	5.57	-58.96
CC[N@@H+]1CCOC(C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030215046	1	52	0.0	-80.04	374.08	4.29	-75.75
CC[N@H+]1CCOC(C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030215046	1	52	0.0	-88.47	380.91	4.36	-84.11
CC[NH+](CC)CC(F)C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030215106	0	53	0.0	-64.37	386.37	5.15	-59.22
CC1CCN(C(=O)C2=C(C[NH+](C)C)C=CS2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030215107	0	51	0.0	-77.98	387.94	5.96	-72.02
CC1CCC(C)[NH+]1CC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030215212	0	54	0.0	-65.89	389.43	5.94	-59.95
CC1CCN(C(=O)CCC[NH+]2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030215219	0	54	0.0	-61.38	398.46	6.05	-55.33
CC1CCN(C(=O)C2=CC=CC(C[NH+](C)C)=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030215220	0	54	0.0	-69.02	401.03	6.49	-62.53
C#CC[NH+]1CCC(C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030215227	0	53	0.0	-77.39	392.52	6.02	-71.37
CC1CCN(C(=O)CC[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030215228	0	54	0.0	-59.09	392.64	5.95	-53.14
CC1CCN(C(=O)C2=CC=CC=C2C[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030215232	0	54	0.0	-60.26	392.56	7.17	-53.09
CC[N@@H+]1CCCCC1C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030215241	0	54	0.0	-66.94	385.27	5.88	-61.06
CC[N@H+]1CCCCC1C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030215241	1	54	0.0	-50.00	386.02	5.63	-44.37
CC(C)C(C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCCC1	REAL300030215242	0	60	0.0	-61.00	416.30	6.96	-54.04
CC1CCN(C(=O)C(C2=CC=CC=C2)[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030215245	1	54	0.0	-58.49	399.91	6.72	-51.77
CC(C)C[N@@H+]1CCC(C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030215271	0	57	0.0	-71.38	412.09	6.69	-64.69
CC(C)C[N@H+]1CCC(C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030215271	1	57	0.0	-68.15	414.52	6.74	-61.41
CC1CCN(C(=O)C2([NH+](C)C)CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030215275	0	51	0.0	-85.24	360.61	5.18	-80.06
CC1CCN(C(=O)C(CN2C=CC=N2)[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030215277	1	54	0.0	-54.74	398.30	4.60	-50.14
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030215282	0	57	0.0	-60.25	402.34	5.91	-54.34
CC(C)[N@H+]1CCCC1CC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030215282	1	57	0.0	-67.10	401.31	6.12	-60.98
CC1CCN(C(=O)C2CCC[N@@H+]2C2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030215283	0	58	0.0	-64.76	396.17	6.41	-58.35
CC1CCN(C(=O)C2CCC[N@H+]2C2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030215283	1	58	0.0	-64.38	413.60	7.17	-57.21
CC(C)[C@@H](C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030215304	0	53	0.0	-69.10	375.75	5.29	-63.81
CC1CCN(C(=O)C[N@H+](C)C2CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030215366	0	51	0.0	-57.93	374.25	5.36	-52.57
CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030215366	1	51	0.0	-59.10	374.73	5.45	-53.65
CC(C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1C(C)CCC1C	REAL300030215452	0	57	0.0	-62.35	398.14	5.80	-56.55
CC1CCN(C(=O)CCN(C)C2=CC=[NH+]C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030215531	0	53	0.0	-66.67	403.36	5.18	-61.49
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030215543	1	50	0.0	-64.00	376.59	5.62	-58.38
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030215543	1	50	0.0	-65.90	374.23	5.72	-60.18
CC1CCN(C(=O)CCC2CCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030215553	0	54	0.0	-68.67	393.24	5.88	-62.79
CC1CCN(C(=O)CCC2CCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030215553	1	54	0.0	-71.75	399.19	6.39	-65.36
CC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030215566	0	55	0.0	-69.73	374.35	5.38	-64.35
CC1CCN(C(=O)C2CCC3CCCC[N@@H+]32)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030215574	0	55	0.0	-65.62	395.27	6.64	-58.98
CC1CCN(C(=O)C2CCC3CCCC[N@H+]32)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030215574	1	55	0.0	-52.37	391.94	6.18	-46.19
CC1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030215582	0	58	0.0	-61.45	395.91	3.98	-57.47
CC1CCN(C(=O)CCCC[NH+]2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030215602	0	57	0.0	-62.56	419.96	6.83	-55.73
CC1CCN(C(=O)C[N@H+](C)CC2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030215605	1	54	0.0	-60.70	405.34	7.07	-53.63
CC1CCN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030215605	1	54	0.0	-59.28	404.68	6.97	-52.31
CC1CCN(C(=O)C2CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030215622	0	51	0.0	-75.12	367.86	4.88	-70.24
CC1CCN(C(=O)C2=NOC(C[NH+](C)C)=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030215682	1	50	0.0	-58.32	383.62	4.90	-53.42
CC1=C(C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)C=CC2=C[NH+]=CN21	REAL300030215684	0	49	0.0	-74.70	380.30	7.35	-67.35
CC1CCN(C(=O)C2CCCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030215727	0	51	0.0	-68.54	362.41	4.81	-63.73
CC1CCN(C(=O)C2CCCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030215727	1	51	0.0	-64.46	361.07	4.70	-59.76
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030215758	0	57	0.0	-64.73	409.36	6.49	-58.24
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030215758	1	57	0.0	-64.96	403.19	7.03	-57.93
CC1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030215915	0	46	0.0	-67.59	352.41	6.45	-61.14
CC1=[NH+]C=CN1CCCC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030215928	1	52	0.0	-61.79	399.60	6.41	-55.38
CC1CCN(C(=O)CCCC[NH+]2CCOCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030215932	1	58	0.0	-64.92	426.90	5.10	-59.82
CC1CCN(C(=O)C2=CC=C(C[NH+](C)C)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030215938	0	54	0.0	-73.04	399.80	6.45	-66.59
CC1CCN(C(=O)CC[NH+]2CCOCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030215939	1	52	0.0	-73.98	386.15	3.89	-70.09
CCC[NH+](CCC)CCCC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030215964	0	62	0.0	-60.31	446.68	7.42	-52.89
CC1=C[NH+]=CN1CC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030215984	1	46	0.0	-55.22	358.41	5.81	-49.41
CC1CCN(C(=O)CN2C=[NH+]C3=C2CCCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030215995	1	53	0.0	-53.24	400.23	7.54	-45.70
CC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030216039	0	60	0.0	-63.53	382.47	6.82	-56.71
CC1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030216045	0	60	0.0	-61.37	426.91	7.11	-54.26
CC1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030216045	1	60	0.0	-58.40	427.05	7.11	-51.29
CC1CCN(C(=O)C23CCC[NH+]2CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030216050	0	52	0.0	-74.19	359.26	5.06	-69.13
CC1CCN(C(=O)C2CCCC([NH+](C)C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030216089	0	57	0.0	-69.64	405.79	6.46	-63.18
CC1CCN(C(=O)CC2CC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030216094	0	51	0.0	-71.39	377.54	5.49	-65.90
CC1CCN(C(=O)CC2CC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030216094	1	51	0.0	-72.48	377.52	5.49	-66.99
CC1CCN(C(=O)C2=C[NH+]=CC=C2N(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030216108	0	50	0.0	-63.20	372.95	3.48	-59.72
CCC(C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030216114	0	50	0.0	-64.49	353.64	4.40	-60.09
CC1CCN(C(=O)CC2([NH+](C)C)CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030216134	0	57	0.0	-71.66	395.53	6.33	-65.33
CC1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030216199	1	46	0.0	-69.20	352.56	6.47	-62.73
CC1CCN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030216242	1	49	0.0	-70.36	384.12	5.32	-65.04
CC1CCN(C(=O)CCCC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030216276	0	53	0.0	-64.29	394.00	5.66	-58.63
CC(C)C(C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030216298	0	53	0.0	-51.74	371.20	5.19	-46.55
CCC[N@H+](C)CCC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030216300	0	53	0.0	-59.68	390.23	5.48	-54.20
CCC[N@@H+](C)CCC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030216300	1	53	0.0	-60.66	390.23	5.47	-55.19
CCC[N@H+](C)CC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030216306	0	50	0.0	-58.71	367.86	4.88	-53.83
CCC[N@@H+](C)CC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030216306	1	50	0.0	-57.45	367.26	4.80	-52.65
CC1CCN(C(=O)C23CC[N@H+](C2)CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030216336	0	52	0.0	-84.61	357.40	4.22	-80.39
CC1CCN(C(=O)C23CC[N@@H+](C2)CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030216336	1	52	0.0	-73.30	359.65	4.24	-69.06
CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030216400	0	48	0.0	-55.32	350.80	4.32	-51.00
CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030216400	1	48	0.0	-69.25	348.86	4.33	-64.92
CC1CC2CCC(C(=O)N3CCC(C)N(C(=O)C4=CC(=O)[N-]O4)CC3)C[N@@H+]2C1	REAL300030216427	0	58	0.0	-67.38	407.85	7.18	-60.20
CC1CC2CCC(C(=O)N3CCC(C)N(C(=O)C4=CC(=O)[N-]O4)CC3)C[N@H+]2C1	REAL300030216427	1	58	0.0	-66.26	415.48	6.94	-59.32
CCCCCC[N@H+](C)CC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030216478	0	59	0.0	-59.74	432.35	7.22	-52.52
CCCCCC[N@@H+](C)CC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030216478	1	59	0.0	-58.38	431.76	7.14	-51.24
CC[NH+](CC)C(C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1)C(C)C	REAL300030216487	0	59	0.0	-49.21	400.35	6.47	-42.74
CC[NH+](CC)CC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030216497	0	50	0.0	-56.10	359.87	4.53	-51.57
CCC[N@@H+]1CCCC(C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030216531	0	57	0.0	-69.31	415.47	6.78	-62.53
CCC[N@H+]1CCCC(C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030216531	1	57	0.0	-60.84	399.40	6.39	-54.45
CC(C)[N@@H+]1CCOC(C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030216554	1	55	0.0	-85.42	397.85	4.81	-80.61
CC(C)[N@H+]1CCOC(C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030216554	1	55	0.0	-83.20	398.00	4.92	-78.28
CC1CC[NH+](CC(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030216594	0	54	0.0	-58.73	391.21	5.96	-52.77
CC1CCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030216625	1	49	0.0	-76.03	380.79	4.42	-71.61
CC1CCN(C(=O)COC2CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030216634	0	55	0.0	-71.39	408.56	5.63	-65.76
CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030216651	0	51	0.0	-65.66	374.21	5.21	-60.45
CC1=[NH+]C=C2CCC(C(=O)N3CCC(C)N(C(=O)C4=CC(=O)[N-]O4)CC3)CN21	REAL300030216652	1	53	0.0	-62.56	393.45	6.32	-56.24
CC(C)[NH+]1CCC(C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030216753	0	57	0.0	-77.26	404.87	6.06	-71.20
CC1CCN(C(=O)C2CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030216783	0	51	0.0	-75.12	367.86	4.88	-70.24
CC(C)[C@H](C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030216806	0	53	0.0	-65.80	366.86	4.55	-61.25
CCC(C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](CC)CC	REAL300030216843	0	56	0.0	-59.30	391.19	5.72	-53.58
CC[N@H+](C)CCC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030216938	0	50	0.0	-59.32	368.73	4.72	-54.60
CC[N@@H+](C)CCC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030216938	1	50	0.0	-60.22	368.73	4.72	-55.50
CC1CCC[N@@H+]1CC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030217014	0	51	0.0	-66.16	370.43	5.24	-60.92
CC1CCC[N@H+]1CC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030217014	1	51	0.0	-54.48	366.87	4.80	-49.68
CC1CC[N@H+](CC(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030217016	0	51	0.0	-68.96	377.16	5.54	-63.42
CC1CC[N@@H+](CC(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030217016	1	51	0.0	-68.97	377.14	5.54	-63.43
CC1CCN(C(=O)C2(F)CC[N@@H+](C(C)(C)C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217017	0	57	0.0	-47.42	396.79	5.28	-42.14
CC1CCN(C(=O)C2(F)CC[N@H+](C(C)(C)C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217017	1	57	0.0	-68.15	403.46	5.59	-62.56
CC1=[NH+]C=C2CC(C(=O)N3CCC(C)N(C(=O)C4=CC(=O)[N-]O4)CC3)CCN21	REAL300030217019	1	53	0.0	-65.59	396.31	6.44	-59.15
CC1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217022	0	54	0.0	-57.72	393.78	5.69	-52.03
CC1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217022	1	54	0.0	-69.09	396.98	6.08	-63.01
CC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217023	0	56	0.0	-58.19	398.50	5.95	-52.24
CC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217023	1	56	0.0	-69.71	400.50	6.28	-63.43
CC[C@@H](C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030217034	0	50	0.0	-63.52	355.68	4.34	-59.18
CC(COCC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCC1	REAL300030217042	0	58	0.0	-56.79	427.27	6.29	-50.50
CC1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217130	0	58	0.0	-73.04	414.16	6.81	-66.23
CC1CCN(C(=O)CC2(O)CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217280	0	55	0.0	-58.81	398.99	3.80	-55.01
COCC[N@@H+]1CCCC1CC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030217287	0	58	0.0	-70.00	420.68	5.27	-64.73
COCC[N@H+]1CCCC1CC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030217287	1	58	0.0	-69.48	422.99	4.96	-64.52
CC1CCN(C(=O)C[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217295	0	44	0.0	-59.28	328.64	3.47	-55.81
CC1CCN(C(=O)C[NH+]2CCC(CO)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217300	0	55	0.0	-63.36	402.04	2.65	-60.71
CC1CCN(C(=O)C[NH+]2CCCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217304	0	54	0.0	-62.11	379.72	5.53	-56.58
CC1CCN(C(=O)C[N+]2=CN(C)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217309	0	46	0.0	-61.31	359.86	6.98	-54.33
CC1CCN(C(=O)C2CCC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217320	0	51	0.0	-59.78	364.25	5.11	-54.67
CC1CCN(C(=O)C2CCC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217320	1	51	0.0	-63.55	364.38	5.04	-58.51
CC1CCN(C(=O)C2CCC[N@@H+]2C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217326	0	52	0.0	-66.59	374.65	5.47	-61.12
CC1CCN(C(=O)C2CCC[N@H+]2C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217326	1	52	0.0	-62.37	380.09	5.59	-56.78
CC(C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC1	REAL300030217363	1	48	0.0	-70.31	353.78	4.18	-66.13
CCC(CC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300030217372	0	56	0.0	-65.10	399.42	5.99	-59.11
CC1CCN(C(=O)C(C)(C)C[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217381	0	53	0.0	-71.79	362.37	4.41	-67.38
CC1CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217404	0	53	0.0	-64.16	377.62	5.53	-58.63
CC1CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217404	1	53	0.0	-60.86	383.63	6.86	-54.00
CC1CCN(C(=O)C[NH+]2CCC(O)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217427	1	52	0.0	-60.72	381.45	1.92	-58.80
CC1CCN(C(=O)C[N@H+](C)C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217429	0	48	0.0	-55.89	358.05	4.88	-51.01
CC1CCN(C(=O)C[N@@H+](C)C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217429	1	48	0.0	-57.81	357.92	4.89	-52.92
CC(C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1)N1CC[NH+](C)CC1	REAL300030217430	1	56	0.0	-70.86	405.18	3.67	-67.19
CC1CCN(C(=O)CC2C[NH+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217459	0	48	0.0	-56.77	360.06	4.33	-52.44
CC1CCN(C(=O)C2CC[N@@H+]2C2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217463	0	55	0.0	-68.73	401.07	6.68	-62.05
CC1CCN(C(=O)C2CC[N@H+]2C2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217463	1	55	0.0	-67.99	401.09	6.56	-61.43
CC1CCN(C(=O)C2CC[N@@H+]2C(C)(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217471	0	54	0.0	-66.43	368.31	4.73	-61.70
CC1CCN(C(=O)C2CC[N@H+]2C(C)(C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217471	1	54	0.0	-59.66	369.80	4.48	-55.18
CC1CCN(C(=O)C2CCN(C3=CC=[NH+]C=C3)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217482	0	54	0.0	-70.48	405.87	4.30	-66.18
C[C@@H](C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030217485	0	47	0.0	-64.57	346.60	3.88	-60.69
CCC1CCC[N@H+](CC(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030217537	0	57	0.0	-69.89	412.73	6.96	-62.93
CCC1CCC[N@@H+](CC(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030217537	1	57	0.0	-69.91	412.63	6.95	-62.96
CC1CCN(C(=O)C2=CC=C(C[NH+](C)C)N2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217546	0	52	0.0	-53.06	381.67	5.96	-47.10
CC1CCN(C(=O)CC2CC3CCC(C2)[NH+]3C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217561	0	58	0.0	-80.20	395.13	5.99	-74.21
CC1CCN(C(=O)CN2C=CSC2=[NH2+])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217607	0	44	0.0	-58.99	355.71	3.65	-55.34
CC1CCN(C(=O)CC[N@H+](C)CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217620	0	51	0.0	-62.90	379.08	1.51	-61.39
CC1CCN(C(=O)CC[N@@H+](C)CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217620	1	51	0.0	-57.44	379.04	1.53	-55.91
C[C@@H](C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030217621	0	47	0.0	-64.57	346.60	3.88	-60.69
CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217625	0	51	0.0	-47.61	367.28	4.88	-42.73
CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217625	1	51	0.0	-64.46	361.23	4.70	-59.76
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030217635	0	54	0.0	-49.76	381.36	2.10	-47.66
CC1CN2CC[N@H+]1CC2C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030217635	1	54	0.0	-70.42	376.50	2.26	-68.16
COC1C[N@@H+]2CCCC2(C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030217684	0	56	0.0	-65.08	397.74	4.11	-60.97
COC1C[N@H+]2CCCC2(C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030217684	1	56	0.0	-56.85	388.79	4.27	-52.58
CC1CCN(C(=O)CC2=CC3=C[NH+]=CN3C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217700	0	49	0.0	-64.30	382.42	7.60	-56.70
CC1CCN(C(=O)C[N@H+](C)C2CCSC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217733	0	52	0.0	-60.31	387.78	5.71	-54.60
CC1CCN(C(=O)C[N@@H+](C)C2CCSC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217733	1	52	0.0	-56.80	387.52	5.61	-51.19
CC1CCN(C(=O)C[NH+]2CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217734	1	45	0.0	-69.94	341.19	4.26	-65.68
CC1CCN(C(=O)C2=CC=NC(C[NH+](C)C)=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217772	1	53	0.0	-70.98	396.56	5.04	-65.94
CC1CCN(C(=O)C=C2CC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217774	0	49	0.0	-64.02	367.79	5.00	-59.02
CC1CCN(C(=O)C=C2CC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217774	1	49	0.0	-72.39	368.73	5.39	-67.00
CC1CCN(C(=O)C2C[NH+](C3CCCCC3)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217801	0	58	0.0	-64.84	419.16	6.76	-58.08
CC1CCN(C(=O)COCC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217819	0	51	0.0	-66.00	384.45	4.60	-61.40
CCCCC[N@H+](C)CCC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030217826	0	59	0.0	-60.49	433.22	7.04	-53.45
CCCCC[N@@H+](C)CCC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030217826	1	59	0.0	-61.45	433.22	7.03	-54.42
CC1CCN(C(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217836	0	55	0.0	-68.73	401.53	5.47	-63.26
C=CCC(C)(C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030217848	0	54	0.0	-55.18	369.80	4.91	-50.27
CC1CCN(C(=O)C(O)CC[S+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217853	0	50	0.0	-78.69	390.32	2.97	-75.72
CC1CCN(C(=O)C2(C)CC(O)C[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217888	0	52	0.0	-64.67	368.71	1.23	-63.44
CC1CCN(C(=O)C2CN(C)CC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217903	0	56	0.0	-75.44	397.24	2.97	-72.47
CC1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217903	1	56	0.0	-75.44	397.24	2.97	-72.47
CC(C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1)[N@@H+]1CCCC(O)C1	REAL300030217904	0	55	0.0	-64.20	396.28	2.62	-61.58
CC1CCN(C(=O)CC2(O)CCC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217929	0	55	0.0	-67.44	391.63	4.02	-63.42
CC1CCN(C(=O)CC2(O)CCC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217929	1	55	0.0	-67.44	391.63	4.02	-63.42
CC1CN(CC(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030217933	0	48	0.0	-70.52	361.21	5.00	-65.52
CC1C[NH+](CC(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030217933	1	48	0.0	-70.52	361.21	5.00	-65.52
CC1CCN(C(=O)CN(C)CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217963	0	48	0.0	-60.93	356.11	0.81	-60.12
CC1CCN(C(=O)C[N@H+](C)CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217963	1	48	0.0	-58.67	356.46	0.92	-57.75
CC1CCN(C(=O)C[N@@H+](C)CCO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217963	1	48	0.0	-58.67	356.46	0.92	-57.75
CC1CCN(C(=O)C=C2CC3CCC(C2)[NH+]3C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217986	0	56	0.0	-63.46	401.88	6.40	-57.06
CC1CCN(C(=O)C2C[N@@H+]3CCN2CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217991	0	54	0.0	-74.66	373.61	2.94	-71.72
CC1CCN(C(=O)C2C[N@H+]3CCN2CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217991	1	54	0.0	-74.66	373.61	2.94	-71.72
CC[N@@H+]1CCCC(C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030218000	0	54	0.0	-61.98	378.75	5.77	-56.21
CC[N@H+]1CCCC(C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030218000	1	54	0.0	-61.98	378.75	5.77	-56.21
CC(CC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300030218002	0	53	0.0	-61.00	385.82	5.52	-55.48
CC[N@H+](C)CC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030218018	0	47	0.0	-57.03	345.76	4.05	-52.98
CC1CCN(C(=O)C23CCC[N@@H+]2CCCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218047	0	55	0.0	-51.58	365.46	4.59	-46.99
CC1CCN(C(=O)C23CCC[N@H+]2CCCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218047	1	55	0.0	-51.58	365.46	4.59	-46.99
CC1CCN(C(=O)C23CCC[N@@H+]2CC=CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218057	0	53	0.0	-55.43	359.45	4.80	-50.63
CC1CCN(C(=O)C23CCC[N@H+]2CC=CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218057	1	53	0.0	-55.43	359.45	4.80	-50.63
CC[N@H+](CC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300030218085	0	51	0.0	-56.57	374.32	5.49	-51.08
CC[NH+](CC)CCC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030218110	0	53	0.0	-58.74	386.31	5.45	-53.29
CC1CCN(C(=O)CN2CC(C)(C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218144	0	51	0.0	-56.52	378.44	4.95	-51.57
CC1CCN(C(=O)C[NH+]2CC(C)(C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218144	1	51	0.0	-56.52	378.44	4.95	-51.57
CC1CCN(C(=O)CCCC[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218150	0	60	0.0	-62.57	435.63	7.52	-55.05
CC1CCN(C(=O)C[N@@H+]2CCC(C)(O)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218185	0	52	0.0	-54.85	384.54	1.78	-53.07
CC1CCN(C(=O)C=CC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218198	0	48	0.0	-58.53	366.62	4.82	-53.71
CC(OCC[NH+](C)C)C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030218225	0	54	0.0	-72.11	397.11	4.96	-67.15
CC1CCN(C(=O)CCOCC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218236	0	54	0.0	-58.51	405.46	4.30	-54.21
COCCN(C)CC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030218237	0	51	0.0	-60.32	376.66	3.18	-57.14
COCC[N@H+](C)CC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030218237	1	51	0.0	-60.88	378.36	3.21	-57.67
COCC[N@@H+](C)CC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030218237	1	51	0.0	-60.88	378.36	3.21	-57.67
COCCCC[N@H+](C)CCC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030218269	0	60	0.0	-63.94	445.40	5.32	-58.62
COCCCC[N@@H+](C)CCC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030218269	1	60	0.0	-63.94	445.40	5.32	-58.62
CC1CCN(C(=O)C2([NH+](C)C)CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218295	0	54	0.0	-63.90	369.26	5.38	-58.52
CC(CCC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030218298	0	53	0.0	-55.51	382.12	5.26	-50.25
CCN1CCC1C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030218308	0	48	0.0	-58.26	353.20	4.14	-54.12
CC[N@@H+]1CCC1C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030218308	1	48	0.0	-68.10	359.45	4.74	-63.36
CC[N@H+]1CCC1C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030218308	1	48	0.0	-68.10	359.45	4.74	-63.36
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030218321	0	57	0.0	-66.64	405.65	6.10	-60.54
CC(C)[N@H+]1CCCC(C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030218321	1	57	0.0	-66.64	405.65	6.10	-60.54
CC1CCN(C(=O)C[N@@H+]2CCCC2CO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218336	0	52	0.0	-68.76	385.56	2.50	-66.26
CC1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218363	0	55	0.0	-66.99	395.08	6.41	-60.58
CC1CCN(C(=O)C2CC3CCCC[N@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218363	1	55	0.0	-66.99	395.08	6.41	-60.58
CC1CCN(C(=O)C2(C)CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218372	0	54	0.0	-65.92	374.05	5.22	-60.70
C=CCC(C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030218415	0	51	0.0	-61.87	374.06	5.11	-56.76
CC1CCN(C(=O)C2CC(C)(C)C[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218433	0	54	0.0	-66.36	396.01	5.83	-60.53
CC1CCN(C(=O)C2CC(C)(C)C[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218433	1	54	0.0	-66.36	396.01	5.83	-60.53
CC1CCN(C(=O)CCCCC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218438	0	56	0.0	-66.46	415.50	6.43	-60.03
CC1C[N@@H+]2CCN1C(C(=O)N1CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300030218486	0	54	0.0	-64.27	371.86	4.65	-59.62
CCCC(C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030218487	0	53	0.0	-61.85	381.21	5.35	-56.50
CC1CCN(C(=O)C(C)(C)[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218492	0	50	0.0	-63.54	348.36	4.12	-59.42
CC[NH+](CC)CCSCC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030218533	0	57	0.0	-65.91	426.82	6.53	-59.38
CC1CCN(C(=O)C2CCCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218545	0	51	0.0	-64.46	361.07	4.70	-59.76
CC1CCN(C(=O)CC2=CC[N@H+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218597	0	52	0.0	-62.68	387.79	5.83	-56.85
CC1CCN(C(=O)CC2=CC[N@@H+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218597	1	52	0.0	-62.68	387.79	5.83	-56.85
CC1CCN(C(=O)CC2([NH+]3CCCC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218607	0	55	0.0	-54.04	391.46	6.05	-47.99
CC1CCN(C(=O)C(C)(C)C2CCC[N@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218666	0	60	0.0	-75.97	399.22	5.42	-70.55
CC1CCN(C(=O)C(C)(C)C2CCC[N@@H+](C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218666	1	60	0.0	-77.99	400.45	5.54	-72.45
CC1CCN(C(=O)C2=CC=C(C[NH+](C)C)O2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218671	1	51	0.0	-77.25	388.74	5.67	-71.58
CC1CCN(C(=O)C2=CC=C(C[NH+](C)C)N=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218677	0	53	0.0	-74.94	396.72	4.92	-70.02
CC1CCN(C(=O)C=CC[NH+]2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218695	0	52	0.0	-59.71	391.70	5.99	-53.72
CC1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218722	0	55	0.0	-77.20	395.39	6.08	-71.12
CC1CCN(C(=O)C2([NH+](C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218747	0	48	0.0	-66.48	348.69	4.26	-62.22
CC1CCN(C(=O)CC[NH+]2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218751	0	51	0.0	-59.04	376.96	5.23	-53.81
CC1CCN(C(=O)C2C[NH+]3CCN2CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218798	0	51	0.0	-70.46	364.60	1.98	-68.48
CC1CCN(C(=O)C23CC(C2)C[N@H+]3C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218809	1	49	0.0	-69.97	352.27	4.53	-65.44
CC1CCN(C(=O)C[N@@H+]2CC3CCC2C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218825	0	52	0.0	-54.36	375.12	5.53	-48.83
CC1CCN(C(=O)C[N@H+]2CC3CCC2C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218825	1	52	0.0	-67.30	377.41	5.92	-61.38
CC(C)[NH+]1CCC(CC(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030218837	0	60	0.0	-55.86	426.00	7.06	-48.80
CC1CCN(C(=O)C=C2C[NH+]3CCC2CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218888	0	53	0.0	-61.26	385.79	5.99	-55.27
CC1CCN(C(=O)C[N@@H+]2CC3C=CC2C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218900	1	50	0.0	-66.22	370.01	5.71	-60.51
CC1CCN(C(=O)C[N@H+]2CC3C=CC2C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218900	1	50	0.0	-56.80	367.73	5.45	-51.35
CC[NH+]1CCN(CC(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030218939	0	56	0.0	-63.94	404.29	3.51	-60.43
CC(C[NH+](C)C)C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030218965	0	50	0.0	-53.76	365.66	4.64	-49.12
CC1CCN(C(=O)CC2CCCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219067	0	54	0.0	-44.81	379.95	5.53	-39.28
CC1CCN(C(=O)CC2CCCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219067	1	54	0.0	-71.70	389.86	6.10	-65.60
CC1=C2C=C(C(=O)N3CCC(C)N(C(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300030219090	1	49	0.0	-67.00	374.53	7.02	-59.98
CC(C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CC(C)C1	REAL300030219091	0	51	0.0	-65.21	375.45	4.88	-60.33
CC1CC[N@@H+]1CC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030219095	1	48	0.0	-57.04	354.32	4.27	-52.77
CC1CC[N@H+]1CC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030219095	1	48	0.0	-67.19	357.44	4.65	-62.54
CC1CCN(C(=O)CC(O)C[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219100	0	51	0.0	-63.87	381.10	2.55	-61.32
CC1C[N@H+](C)CC(C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300030219138	1	52	0.0	-74.17	378.04	4.42	-69.75
CC1C[N@@H+](C)CC(C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300030219138	1	52	0.0	-74.02	375.51	4.71	-69.31
CC1CCN(C(=O)CC[NH+]2CCC(O)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219150	0	55	0.0	-63.82	403.58	2.59	-61.23
CCC[N@@H+]1CCCCC1C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030219153	0	57	0.0	-61.45	400.18	6.09	-55.36
CCC[N@H+]1CCCCC1C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030219153	1	57	0.0	-49.07	407.81	6.29	-42.78
CC[NH+]1CCN(CCC(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030219158	0	59	0.0	-67.40	427.23	4.19	-63.21
CCN1CC[NH+](CCC(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030219158	1	59	0.0	-59.65	427.24	4.18	-55.47
CC1CCN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219161	0	58	0.0	-77.23	391.78	5.80	-71.43
CC1CCN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219161	1	58	0.0	-65.05	402.05	6.82	-58.23
CC(C)C[NH+]1CCC(C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030219209	0	60	0.0	-74.85	424.14	6.98	-67.87
CC1CCN(C(=O)CN2CCC([NH+](C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219235	0	59	0.0	-67.77	421.37	4.07	-63.70
CC1CCN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219257	0	51	0.0	-68.60	380.53	5.55	-63.05
CC(CC[NH+](C)C)C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030219265	0	53	0.0	-69.06	387.52	5.20	-63.86
CC1CCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219299	0	55	0.0	-59.14	399.48	2.67	-56.47
CC1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219299	1	55	0.0	-54.49	399.26	2.86	-51.63
C#CC[N@H+]1CCCCC1C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030219308	1	53	0.0	-67.51	394.81	6.52	-60.99
C#CC[N@@H+]1CCCCC1C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030219308	1	53	0.0	-67.83	392.63	6.44	-61.39
CC1CCN(C(=O)CN2CC[NH+](C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219314	1	53	0.0	-66.61	387.50	2.93	-63.68
CC[NH+]1CCN(CC(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030219323	0	56	0.0	-63.94	404.29	3.51	-60.43
CC1CCN(C(=O)CSC(N)=[NH2+])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219355	0	42	0.0	-60.66	336.56	0.49	-60.17
CC[N@@H+]1CCOCC1CC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030219403	0	55	0.0	-62.50	396.01	3.91	-58.59
CC1CCN(C(=O)C2(CC[NH+](C)C)CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219422	0	60	0.0	-65.06	419.83	6.78	-58.28
CC1CCCC(C)[NH+]1CCC(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030219424	0	60	0.0	-57.26	422.30	6.64	-50.62
CC1CCN(C(=O)C2CCC([NH+](C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219427	0	57	0.0	-79.39	401.41	6.00	-73.39
CC1CCN(C(=O)C2(CC[NH+](C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219428	0	54	0.0	-76.83	392.78	5.55	-71.28
CC1CCN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219432	0	57	0.0	-67.60	391.96	6.06	-61.54
CC1CCN(C(=O)CC2CC=CC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219433	0	52	0.0	-59.79	374.41	5.45	-54.34
CC1CCN(C(=O)CC2CC=CC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219433	1	52	0.0	-59.79	374.41	5.45	-54.34
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030219463	0	54	0.0	-66.09	400.60	5.31	-60.78
CC1CCN(C(=O)C2CC3CCC(C2)[NH+]3C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219497	0	55	0.0	-56.80	374.53	5.04	-51.76
CC(C(=O)N1CCC(C)N(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCSCC1	REAL300030219650	1	52	0.0	-65.75	386.41	5.43	-60.32
CCC1C[NH+](CC(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030219653	0	51	0.0	-70.45	384.39	5.72	-64.73
CC1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219655	0	56	0.0	-67.59	410.21	4.36	-63.23
CC1CCN(C(=O)C2([NH+]3CCCC3)CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219657	0	55	0.0	-77.13	380.89	5.74	-71.39
CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219668	1	48	0.0	-65.90	352.98	4.68	-61.22
CC1CCN(C(=O)CC[N@H+]2CCC(F)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219678	1	51	0.0	-75.49	385.30	5.70	-69.79
COC1C[N@@H+](C)C(C)(C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030219687	1	55	0.0	-64.92	383.26	3.54	-61.38
CC1CCN(C(=O)CC[NH+]2CCCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219700	0	57	0.0	-59.05	402.63	6.14	-52.91
CC1CCN(C(=O)C[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219702	0	51	0.0	-58.27	370.36	5.34	-52.93
CC1C(C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300030219712	0	51	0.0	-70.41	373.04	5.14	-65.27
CC1C(C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300030219712	1	51	0.0	-70.62	359.15	4.66	-65.96
CC1CCN(C(=O)CCC2CCCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219715	0	57	0.0	-64.49	409.73	6.42	-58.07
CC1CCN(C(=O)CCC2CCCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219715	1	57	0.0	-70.72	405.76	6.65	-64.07
CC1CCN(C(=O)C2CC[N@@H+]3CCOCC23)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219751	0	53	0.0	-72.60	382.09	3.85	-68.75
CC1CCN(C(=O)C2CC[N@H+]3CCOCC23)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219751	1	53	0.0	-65.85	383.99	4.09	-61.76
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(C)N(C(=O)C4=CC(=O)[N-]O4)CC3)=CN21	REAL300030219759	0	49	0.0	-61.96	373.14	6.23	-55.73
CC1CCN(C(=O)CC2COCCN2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219779	0	52	0.0	-75.17	381.27	3.72	-71.45
CC1CCN(C(=O)CC2COCC[N@@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219779	1	52	0.0	-65.05	378.74	3.23	-61.82
CC1CCN(C(=O)CC2COCC[N@H+]2C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219779	1	52	0.0	-75.17	381.27	3.72	-71.45
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300030219790	1	52	0.0	-54.19	398.87	4.80	-49.39
CC1CCN(C(=O)C2CCN2CC2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219805	0	55	0.0	-68.43	414.74	7.54	-60.89
CC1CCN(C(=O)C2CC[N@@H+]2CC2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219805	1	55	0.0	-61.17	414.38	7.25	-53.92
CC1CCN(C(=O)C2CC[N@H+]2CC2=CC=CC=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219805	1	55	0.0	-68.43	414.74	7.54	-60.89
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030219809	0	60	0.0	-72.52	424.36	6.91	-65.61
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030219809	1	60	0.0	-68.72	427.25	6.93	-61.79
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@@H+]1C	REAL300030219976	0	48	0.0	-50.38	341.45	4.06	-46.32
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@H+]1C	REAL300030219976	1	48	0.0	-51.65	348.16	4.14	-47.51
CC1=[NH+]C=CN1CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030220170	1	52	0.0	-72.39	399.34	6.74	-65.65
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCC[NH+]1CCOCC1	REAL300030220174	1	58	0.0	-78.78	426.63	5.42	-73.36
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300030220178	0	54	0.0	-80.03	402.04	6.86	-73.17
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCOCC1	REAL300030220179	1	52	0.0	-81.12	383.65	3.84	-77.28
CCC[NH+](CCC)CCCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030220198	0	62	0.0	-76.89	446.90	7.74	-69.15
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300030220226	1	46	0.0	-53.44	354.26	6.59	-46.85
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCCC([NH+](C)C)C1	REAL300030220291	0	57	0.0	-68.36	394.76	6.17	-62.19
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC[N@H+](C)C1	REAL300030220296	0	51	0.0	-76.41	376.47	5.45	-70.96
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC[N@@H+](C)C1	REAL300030220296	1	51	0.0	-59.77	375.54	5.08	-54.69
CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C)[NH+](C)C	REAL300030220313	0	50	0.0	-72.65	356.05	4.65	-68.00
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300030220322	1	49	0.0	-64.55	385.77	5.27	-59.28
CC1CC2CCC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CCC3C)C[N@@H+]2C1	REAL300030220365	0	58	0.0	-73.17	411.94	6.92	-66.25
CC1CC2CCC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CCC3C)C[N@H+]2C1	REAL300030220365	1	58	0.0	-73.14	413.81	6.96	-66.18
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCC[NH+](C)C	REAL300030220394	0	53	0.0	-76.63	393.74	5.96	-70.67
CCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030220415	0	53	0.0	-52.95	389.40	5.41	-47.54
CCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030220415	1	53	0.0	-49.92	389.13	5.46	-44.46
CCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030220419	0	50	0.0	-76.53	369.42	5.21	-71.32
CCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030220419	1	50	0.0	-76.96	368.90	5.24	-71.72
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C12CC[N@H+](C1)CCC2	REAL300030220442	0	52	0.0	-75.20	359.25	4.55	-70.65
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300030220442	1	52	0.0	-47.71	359.69	4.29	-43.42
CCCCCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030220481	0	59	0.0	-77.93	434.04	7.56	-70.37
CCCCCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030220481	1	59	0.0	-78.26	433.40	7.58	-70.68
CC1CC[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)CC1	REAL300030220527	0	54	0.0	-48.50	389.82	5.93	-42.57
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300030220552	1	49	0.0	-66.33	382.28	4.49	-61.84
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)COC1CC[NH+](C)CC1	REAL300030220559	0	55	0.0	-79.35	408.33	5.83	-73.52
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCCC[N@@H+]2C1	REAL300030220617	0	55	0.0	-73.74	393.61	6.36	-67.38
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCCC[N@H+]2C1	REAL300030220617	1	55	0.0	-73.42	386.86	6.16	-67.26
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1(C[NH+](C)C)CC1	REAL300030220629	0	51	0.0	-61.98	374.01	4.96	-57.02
CC1=[NH+]C=C2CCC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CCC3C)CN21	REAL300030220630	1	53	0.0	-53.07	392.18	5.91	-47.16
CC(C)[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)CC1	REAL300030220640	0	57	0.0	-46.27	393.40	5.64	-40.63
CC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030220674	0	50	0.0	-54.51	368.71	4.74	-49.77
CC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030220674	1	50	0.0	-52.01	367.89	4.69	-47.32
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[NH+]2CCC1CC2	REAL300030220719	0	52	0.0	-43.50	366.60	5.01	-38.49
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[NH+](C)CC1	REAL300030220801	0	51	0.0	-57.52	366.94	4.83	-52.69
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[NH+](CC2CC2)CC1	REAL300030220888	0	58	0.0	-60.02	418.03	7.08	-52.94
CC[NH+](CC)CC(F)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030220931	0	53	0.0	-75.49	387.02	5.51	-69.98
CC(C)C[N@@H+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300030220965	0	57	0.0	-75.07	409.58	6.64	-68.43
CC(C)C[N@H+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300030220965	1	57	0.0	-75.90	406.28	6.43	-69.47
CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C)[NH+](CC)CC	REAL300030220994	0	56	0.0	-67.34	385.96	5.88	-61.46
CC1CCC[N@@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030221019	0	51	0.0	-48.44	366.22	4.83	-43.61
CC1CCC[N@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030221019	1	51	0.0	-73.47	375.45	5.59	-67.88
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030221096	1	55	0.0	-50.38	414.08	6.68	-43.70
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C)[NH+]1CCCCCC1	REAL300030221100	0	57	0.0	-70.65	394.27	6.18	-64.47
CC(C)[N@@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030221131	0	54	0.0	-52.74	374.90	5.51	-47.23
CC(C)[N@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030221131	1	54	0.0	-48.10	384.12	5.39	-42.71
CC(C)[N@@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030221140	0	57	0.0	-73.72	402.64	6.16	-67.56
CC(C)[N@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030221140	1	57	0.0	-73.97	409.22	6.52	-67.45
CC1CC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300030221186	0	51	0.0	-49.85	373.46	5.10	-44.75
CC1CC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300030221186	1	51	0.0	-75.81	375.02	5.50	-70.31
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1(F)CC[N@@H+](C(C)(C)C)C1	REAL300030221187	0	57	0.0	-70.15	401.69	5.81	-64.34
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1(F)CC[N@H+](C(C)(C)C)C1	REAL300030221187	1	57	0.0	-70.02	401.54	5.82	-64.20
CC1=[NH+]C=C2CC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CCC3C)CCN21	REAL300030221188	1	53	0.0	-48.01	393.12	6.00	-42.01
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300030221191	0	54	0.0	-76.54	394.11	6.02	-70.52
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1	REAL300030221191	1	54	0.0	-47.85	392.81	5.70	-42.15
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)CC(C)(C)C	REAL300030221192	0	56	0.0	-76.09	400.55	6.42	-69.67
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C	REAL300030221192	1	56	0.0	-76.54	397.52	6.23	-70.31
CC[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C)[NH+](C)C	REAL300030221201	0	50	0.0	-71.51	356.09	4.66	-66.85
CC(COCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C)[NH+]1CCCC1	REAL300030221208	0	58	0.0	-72.00	426.96	6.49	-65.51
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCN(C)C1=CC=[NH+]C=C1	REAL300030221353	0	53	0.0	-71.11	402.85	5.48	-65.63
CC1=[NH+]C=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030221461	1	46	0.0	-71.39	359.10	5.43	-65.96
CC(C[NH+]1CCOCC1)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030221463	1	55	0.0	-78.77	397.56	4.32	-74.45
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC[NH+]1CCCCC1	REAL300030221481	0	57	0.0	-76.37	413.87	7.07	-69.30
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300030221496	1	50	0.0	-64.86	382.58	4.75	-60.11
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C=CC2=C[NH+]=CN21	REAL300030221498	0	49	0.0	-73.48	379.92	7.54	-65.94
CC(C)C1=[NH+]C=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030221544	1	52	0.0	-69.72	396.15	6.54	-63.18
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300030221591	0	55	0.0	-52.34	384.68	5.96	-46.38
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCCC2CCC[N@H+]21	REAL300030221591	1	55	0.0	-67.36	390.40	6.37	-60.99
CC[N@@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300030221622	1	52	0.0	-63.03	370.19	3.98	-59.05
CC[N@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300030221622	1	52	0.0	-81.31	380.90	4.63	-76.68
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300030221684	0	46	0.0	-52.02	354.03	6.56	-45.46
CC1=C[NH+]=CN1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030221689	1	46	0.0	-74.46	359.02	6.11	-68.35
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300030221694	0	54	0.0	-69.99	408.38	4.59	-65.40
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300030221707	0	54	0.0	-59.81	409.21	5.28	-54.53
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)CC[N@@H+]1C	REAL300030221714	0	51	0.0	-76.31	365.47	5.14	-71.17
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)CC[N@H+]1C	REAL300030221714	1	51	0.0	-75.66	365.00	4.98	-70.68
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030221716	1	55	0.0	-51.14	414.57	6.73	-44.41
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)CC[N@@H+]1C	REAL300030221719	0	54	0.0	-76.65	377.25	5.17	-71.48
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)CC[N@H+]1C	REAL300030221719	1	54	0.0	-76.20	386.28	5.63	-70.57
CC1CCC(C)[NH+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030221735	0	54	0.0	-46.17	383.02	5.27	-40.90
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC[NH+]1CCCC1	REAL300030221742	0	54	0.0	-76.01	398.20	6.36	-69.65
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300030221743	0	54	0.0	-51.50	402.28	6.56	-44.94
C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)CC1	REAL300030221749	0	53	0.0	-81.41	391.42	6.31	-75.10
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCCCC1	REAL300030221750	0	54	0.0	-77.54	392.38	6.26	-71.28
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1C=[NH+]C2=C1CCCC2	REAL300030221768	1	53	0.0	-54.72	398.71	7.48	-47.24
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1(C[NH+](C)C)CCCCC1	REAL300030221801	0	60	0.0	-44.90	385.00	5.96	-38.94
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@H+](C)C1CCCCC1	REAL300030221805	0	60	0.0	-55.30	427.03	7.12	-48.18
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@@H+](C)C1CCCCC1	REAL300030221805	1	60	0.0	-79.18	426.79	7.42	-71.76
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1([NH+](C)C)CCCC1	REAL300030221808	0	57	0.0	-51.51	390.28	5.92	-45.59
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)C1CCC1	REAL300030222005	0	51	0.0	-74.34	376.55	5.80	-68.54
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)C1CCC1	REAL300030222005	1	51	0.0	-73.83	376.42	5.79	-68.04
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C)[NH+]1C(C)CCC1C	REAL300030222030	0	57	0.0	-67.10	391.99	5.77	-61.33
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCC[NH+]1CCCC1	REAL300030222049	0	57	0.0	-75.31	419.70	7.14	-68.17
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300030222052	1	54	0.0	-81.42	406.97	7.40	-74.02
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300030222052	1	54	0.0	-55.27	405.35	7.05	-48.22
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[NH+](C)CC1	REAL300030222067	0	51	0.0	-57.52	366.94	4.83	-52.69
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CCC[N@@H+]1C	REAL300030222119	0	48	0.0	-48.40	349.45	4.25	-44.15
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CCC[N@H+]1C	REAL300030222119	1	48	0.0	-73.15	346.89	4.27	-68.88
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1CCC[N@@H+]1C	REAL300030222150	0	54	0.0	-58.72	392.39	5.84	-52.88
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1CCC[N@H+]1C	REAL300030222150	1	54	0.0	-78.87	397.60	6.35	-72.52
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300030222166	0	55	0.0	-71.30	389.13	6.25	-65.05
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC2CCCC[N@H+]21	REAL300030222166	1	55	0.0	-48.36	386.93	5.90	-42.46
CCC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300030222243	0	57	0.0	-75.05	409.12	6.59	-68.46
CCC[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300030222243	1	57	0.0	-51.17	400.26	6.47	-44.70
CC(C)[N@@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300030222259	1	55	0.0	-58.74	395.13	4.76	-53.98
CC(C)[N@H+]1CCOC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300030222259	1	55	0.0	-47.46	381.78	4.34	-43.12
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCC(CO)CC1	REAL300030222333	0	55	0.0	-53.93	400.94	2.60	-51.33
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=C1CC2CCC(C1)[NH+]2C	REAL300030222370	0	56	0.0	-73.11	400.96	6.74	-66.37
CC1C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)CC[N@@H+]1C	REAL300030222388	0	51	0.0	-55.62	367.99	4.90	-50.72
CC1C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)CC[N@H+]1C	REAL300030222388	1	51	0.0	-58.67	366.98	4.60	-54.07
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1CCCC[N@@H+]1C	REAL300030222392	0	57	0.0	-79.32	403.68	6.58	-72.74
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1CCCC[N@H+]1C	REAL300030222392	1	57	0.0	-79.45	402.77	6.57	-72.88
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=C(CCC2)[NH+]=C1N	REAL300030222425	1	51	0.0	-45.01	384.70	4.22	-40.79
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300030222491	0	54	0.0	-40.96	359.22	3.96	-37.00
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@H+]1C(C)(C)C	REAL300030222491	1	54	0.0	-52.67	363.35	4.42	-48.25
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300030222509	0	54	0.0	-70.75	402.92	4.25	-66.50
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C)[NH+](C)C	REAL300030222514	0	47	0.0	-48.64	343.23	3.78	-44.86
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=NC(C[NH+](C)C)=C1	REAL300030222534	1	53	0.0	-72.08	397.91	5.01	-67.07
C=CCC(C)(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C)[NH+](C)C	REAL300030222540	0	54	0.0	-60.26	347.96	4.69	-55.57
CC[NH+](CC)CCSCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030222573	0	57	0.0	-77.08	426.95	6.88	-70.20
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C(N)C2=CC=CC=C2[NH+]=C1	REAL300030222574	1	50	0.0	-52.73	382.74	3.64	-49.09
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCCC1	REAL300030222579	0	51	0.0	-77.62	376.69	5.55	-72.07
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)CCO	REAL300030222588	1	48	0.0	-77.37	357.75	1.25	-76.12
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)CCO	REAL300030222588	1	48	0.0	-76.09	358.23	1.26	-74.83
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@@H+]2CCN1CCC2	REAL300030222626	0	54	0.0	-81.73	372.55	3.20	-78.53
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@H+]2CCN1CCC2	REAL300030222626	1	54	0.0	-79.06	375.23	2.99	-76.07
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C)[NH+]1CCSCC1	REAL300030222653	1	52	0.0	-49.28	377.78	5.04	-44.24
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC[N@H+](C)CC1	REAL300030222697	0	52	0.0	-60.07	386.68	5.82	-54.25
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC[N@@H+](C)CC1	REAL300030222697	1	52	0.0	-60.64	387.89	5.85	-54.79
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(O)CC[S+](C)C	REAL300030222712	0	50	0.0	-77.20	387.62	3.06	-74.14
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CN(C)CC[N@H+](C)C1	REAL300030222751	0	56	0.0	-70.68	394.54	3.48	-67.20
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CN(C)CC[N@@H+](C)C1	REAL300030222751	1	56	0.0	-72.19	397.40	3.75	-68.44
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C)[N@@H+]1CCCC(O)C1	REAL300030222752	0	55	0.0	-53.96	394.74	2.48	-51.48
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C)[N@H+]1CCCC(O)C1	REAL300030222752	1	55	0.0	-51.33	394.54	2.29	-49.04
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1(O)CCC[N@H+](C)C1	REAL300030222791	0	55	0.0	-74.74	387.53	4.00	-70.74
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1(O)CCC[N@@H+](C)C1	REAL300030222791	1	55	0.0	-70.63	391.39	3.95	-66.68
CC1C[NH+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300030222797	1	48	0.0	-48.10	357.26	4.60	-43.50
CC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300030222803	0	54	0.0	-68.57	381.13	6.12	-62.45
CC[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300030222803	1	54	0.0	-51.32	378.92	5.73	-45.59
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC=C[NH+]=C1N	REAL300030222814	0	47	0.0	-70.51	364.55	3.66	-66.85
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@@H+]1C1CC1	REAL300030222827	0	52	0.0	-51.79	378.22	5.41	-46.38
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@H+]1C1CC1	REAL300030222827	1	52	0.0	-72.46	372.39	5.45	-67.01
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=CC[NH+]1CCCC1	REAL300030222877	0	52	0.0	-51.48	388.93	5.90	-45.58
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300030222902	0	55	0.0	-55.65	397.50	6.29	-49.36
CC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030222947	0	47	0.0	-76.59	347.40	4.50	-72.09
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1CC2C=CC1C2	REAL300030223012	0	50	0.0	-74.69	368.67	5.74	-68.95
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CC2C=CC1C2	REAL300030223012	1	50	0.0	-50.77	368.35	5.45	-45.32
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+]1CC2C=CC1C2	REAL300030223012	1	50	0.0	-50.77	368.35	5.45	-45.32
CC1=CC=C(NCCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)N=C1	REAL300030223035	0	53	0.0	-70.79	407.24	5.23	-65.56
CC1=CC=C(NCCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)[NH+]=C1	REAL300030223035	1	53	0.0	-70.79	407.24	5.23	-65.56
CC(OCC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030223171	0	54	0.0	-73.79	400.00	5.25	-68.54
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCOCC[NH+](C)C	REAL300030223183	0	54	0.0	-73.92	405.64	4.64	-69.28
COCCN(C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030223185	0	51	0.0	-76.38	380.71	3.67	-72.71
COCC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030223185	1	51	0.0	-77.34	380.53	3.62	-73.72
COCC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030223185	1	51	0.0	-77.34	380.53	3.62	-73.72
CC(CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C)[NH+](C)C	REAL300030223192	0	53	0.0	-80.80	382.16	5.57	-75.23
CC[N@H+](CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C)C1CC1	REAL300030223227	0	51	0.0	-73.21	375.98	5.83	-67.38
CC1C[N@@H+]2CCN1C(C(=O)N1CCN(C(=O)C3=CC(=O)[N-]O3)CCC1C)C2	REAL300030223238	0	54	0.0	-67.00	377.44	2.15	-64.85
CC1=NC(N)=CC=C1C=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030223280	0	51	0.0	-54.94	391.56	4.11	-50.83
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030223280	1	51	0.0	-54.94	391.56	4.11	-50.83
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CC2CCC1C2	REAL300030223288	0	52	0.0	-46.41	371.66	5.36	-41.05
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+]1CC2CCC1C2	REAL300030223288	1	52	0.0	-46.41	371.66	5.36	-41.05
CC(C)[NH+]1CCC(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)CC1	REAL300030223302	0	60	0.0	-57.37	425.38	7.07	-50.30
CC(C[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030223316	0	50	0.0	-76.73	360.18	4.72	-72.01
CCN1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030223368	0	48	0.0	-73.11	352.93	4.47	-68.64
CC[N@@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030223368	1	48	0.0	-72.79	352.16	4.43	-68.36
CC[N@H+]1CCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030223368	1	48	0.0	-72.79	352.16	4.43	-68.36
CC(C)[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300030223381	0	57	0.0	-72.24	400.80	6.22	-66.02
CC(C)[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300030223381	1	57	0.0	-72.24	400.80	6.22	-66.02
CCC(C)(C)[NH2+]C(C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030223399	0	56	0.0	-72.44	388.22	4.01	-68.43
C#CCN1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030223449	0	53	0.0	-71.56	392.59	6.46	-65.10
C#CC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030223449	1	53	0.0	-55.81	386.87	5.96	-49.85
C#CC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030223449	1	53	0.0	-55.81	386.87	5.96	-49.85
CNC1=NC(C)=CC=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030223452	0	50	0.0	-66.32	381.30	4.40	-61.92
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030223452	1	50	0.0	-66.32	381.30	4.40	-61.92
CCCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C)[NH+](C)C	REAL300030223465	0	53	0.0	-73.45	377.55	5.42	-68.03
CC(CC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030223493	0	53	0.0	-75.97	381.74	5.33	-70.64
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300030223551	0	58	0.0	-49.23	398.33	6.68	-42.55
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300030223551	1	58	0.0	-49.23	398.33	6.68	-42.55
COCCCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030223628	0	60	0.0	-55.14	444.56	5.30	-49.84
COCCCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030223628	1	60	0.0	-55.14	444.56	5.30	-49.84
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300030223638	0	54	0.0	-71.27	391.45	5.76	-65.51
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC(C)(C)C[N@H+]1C	REAL300030223638	1	54	0.0	-71.27	391.45	5.76	-65.51
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCCC[NH+](C)C	REAL300030223644	0	56	0.0	-74.95	415.24	6.75	-68.20
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCC(O)CC1	REAL300030223649	0	55	0.0	-58.62	403.26	2.54	-56.08
CCC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030223654	0	57	0.0	-55.11	407.52	6.36	-48.75
CCC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030223654	1	57	0.0	-55.11	407.52	6.36	-48.75
CC[NH+]1CCN(CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)CC1	REAL300030223663	0	59	0.0	-79.15	426.98	4.49	-74.66
CCN1CC[NH+](CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)CC1	REAL300030223663	1	59	0.0	-79.15	426.98	4.49	-74.66
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1CCN(C)CC1	REAL300030223667	0	53	0.0	-74.21	387.81	3.28	-70.93
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1CC[NH+](C)CC1	REAL300030223667	1	53	0.0	-74.21	387.81	3.28	-70.93
CC(C)C[NH+]1CCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)CC1	REAL300030223791	0	60	0.0	-47.55	419.68	6.79	-40.76
CC1CN(C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)O1	REAL300030223794	0	52	0.0	-47.45	381.47	4.29	-43.16
CC1C[N@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)O1	REAL300030223794	1	52	0.0	-75.41	372.99	4.43	-70.98
CC1C[N@@H+](C)CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)O1	REAL300030223794	1	52	0.0	-75.41	372.99	4.43	-70.98
CCC1CCC[N@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300030223830	0	57	0.0	-49.96	409.42	6.61	-43.35
CCC1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300030223830	1	57	0.0	-49.96	409.42	6.61	-43.35
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CC2CC2C1	REAL300030223862	0	49	0.0	-76.55	364.86	5.65	-70.90
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1([NH+]2CCCC2)CC1	REAL300030223880	0	55	0.0	-52.44	393.96	6.27	-46.17
CC([NH2+]C1(CO)CCCC1)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030223897	0	58	0.0	-52.05	407.10	1.32	-50.73
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCCC[N@@H+]1C	REAL300030223926	0	51	0.0	-46.90	366.12	4.93	-41.97
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCCC[N@H+]1C	REAL300030223926	1	51	0.0	-75.58	357.72	4.88	-70.70
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300030223932	1	55	0.0	-51.28	417.51	7.35	-43.93
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@H+]1CC1=CC=CC=C1	REAL300030223932	1	55	0.0	-53.28	419.76	7.43	-45.85
CC(C)C[N@@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300030223939	0	60	0.0	-50.98	423.64	6.86	-44.12
CC(C)C[N@H+]1CCCC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C1	REAL300030223939	1	60	0.0	-51.65	417.28	7.02	-44.63
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1CCC([NH+](C)C)CC1	REAL300030223994	0	59	0.0	-72.49	423.65	4.50	-67.99
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=C1CC[N@H+](C)C1	REAL300030224059	0	49	0.0	-57.30	364.69	5.07	-52.23
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=C1CC[N@@H+](C)C1	REAL300030224059	1	49	0.0	-57.57	364.21	5.04	-52.53
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CNC1=CC=[NH+]C=C1	REAL300030224066	0	47	0.0	-74.29	364.09	3.06	-71.23
CC[NH+]1CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)CC1	REAL300030224128	0	56	0.0	-72.60	407.07	3.98	-68.62
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=C1C[NH+]2CCC1CC2	REAL300030224129	0	53	0.0	-69.89	385.54	6.24	-63.65
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300030224188	0	55	0.0	-52.93	399.25	2.86	-50.07
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O	REAL300030224188	1	55	0.0	-50.82	398.70	2.77	-48.05
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[NH+](C2CCOCC2)C1	REAL300030224197	0	56	0.0	-46.46	409.34	4.32	-42.14
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@@H]1CCC[N@@H+]1C	REAL300030224212	0	48	0.0	-45.71	345.96	4.03	-41.68
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@@H]1CCC[N@H+]1C	REAL300030224212	1	48	0.0	-70.84	346.35	4.36	-66.48
CCN1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030224250	0	55	0.0	-50.27	392.36	3.90	-46.37
CC[N@@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030224250	1	55	0.0	-54.92	397.08	4.00	-50.92
CC[N@H+]1CCOCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030224250	1	55	0.0	-54.92	397.08	4.00	-50.92
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[NH+](C2CCCCC2)C1	REAL300030224276	0	58	0.0	-48.14	418.97	6.76	-41.38
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C2NC(N)=NC2=C1	REAL300030224352	0	48	0.0	-54.32	368.23	4.29	-50.03
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C2NC(N)=[NH+]C2=C1	REAL300030224352	1	48	0.0	-54.32	368.23	4.29	-50.03
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300030224397	0	51	0.0	-62.75	377.88	5.23	-57.52
CC1CCCC(C)[NH+]1CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030224409	0	60	0.0	-73.36	422.49	6.95	-66.41
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC([NH+](C)C)CC1	REAL300030224412	0	57	0.0	-47.25	389.88	5.70	-41.55
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300030224416	0	57	0.0	-66.73	396.28	5.88	-60.85
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC=CC[N@@H+]1C	REAL300030224417	0	52	0.0	-70.69	375.52	5.82	-64.87
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC=CC[N@H+]1C	REAL300030224417	1	52	0.0	-79.62	380.18	5.88	-73.74
CC1=CC(C=CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)=C[NH+]=C1N	REAL300030224479	1	51	0.0	-47.58	391.79	4.45	-43.13
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)COCC[NH+](C)C	REAL300030224494	0	51	0.0	-73.79	384.25	4.79	-69.00
CCCCC[N@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030224501	0	59	0.0	-51.32	432.13	7.02	-44.30
CCCCC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030224501	1	59	0.0	-52.88	432.39	7.01	-45.87
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300030224513	0	55	0.0	-74.05	400.58	5.39	-68.66
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1C=CSC1=[NH2+]	REAL300030224539	0	44	0.0	-70.67	357.39	3.98	-66.69
C[C@@H](OCC[NH+](C)C)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030224618	0	54	0.0	-63.72	399.91	4.93	-58.79
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCCCCC1	REAL300030224676	0	57	0.0	-79.66	402.38	6.45	-73.21
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCCCC1	REAL300030224680	0	51	0.0	-47.14	369.25	5.31	-41.83
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@H+](C)C1	REAL300030224682	0	51	0.0	-76.17	370.46	5.22	-70.95
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@@H+](C)C1	REAL300030224682	1	51	0.0	-48.68	355.94	4.83	-43.85
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCC(CO)CC1	REAL300030224684	0	55	0.0	-53.93	400.94	2.60	-51.33
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCCCCC1	REAL300030224690	0	54	0.0	-75.64	381.29	5.86	-69.78
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N+]1=CN(C)C=C1	REAL300030224697	0	46	0.0	-73.13	359.61	7.30	-65.83
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300030224715	1	51	0.0	-77.75	390.19	5.64	-72.11
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C[NH+](C)C)N=C1	REAL300030224723	0	53	0.0	-76.06	397.83	4.92	-71.14
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCC(O)CC1	REAL300030224737	1	52	0.0	-52.54	380.33	1.94	-50.60
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)C1CC1	REAL300030224744	0	48	0.0	-73.70	359.62	5.23	-68.47
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)C1CC1	REAL300030224744	1	48	0.0	-52.22	357.87	4.88	-47.34
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C)N1CC[NH+](C)CC1	REAL300030224746	1	56	0.0	-72.34	396.24	3.36	-68.98
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@@H+]1CCC(F)C1	REAL300030224751	0	51	0.0	-53.95	381.42	5.32	-48.63
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@H+]1CCC(F)C1	REAL300030224751	1	51	0.0	-54.38	381.40	5.31	-49.07
CC(CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C)C[NH+](C)C	REAL300030224786	0	53	0.0	-77.12	385.56	5.83	-71.29
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@@H+]2CCOCC12	REAL300030224806	0	53	0.0	-72.17	380.69	4.02	-68.15
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@H+]2CCOCC12	REAL300030224806	1	53	0.0	-58.89	378.48	3.50	-55.39
CC1=[NH+]C=C2C=CC(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CCC3C)=CN21	REAL300030224814	0	49	0.0	-48.91	375.43	6.34	-42.57
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1COCC[N@@H+]1C	REAL300030224835	1	52	0.0	-47.64	371.69	3.18	-44.46
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1COCC[N@H+]1C	REAL300030224835	1	52	0.0	-82.52	379.62	3.64	-78.88
CC[NH+]1CCN(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)CC1	REAL300030224846	0	56	0.0	-72.60	407.07	3.98	-68.62
CC1=CC(N)=[NH+]C=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030224900	1	47	0.0	-72.34	362.12	3.08	-69.26
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1=CC=C(N)[NH+]=C1	REAL300030224903	0	50	0.0	-73.71	387.38	4.32	-69.39
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300030224957	0	52	0.0	-75.45	385.54	2.21	-73.24
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+]1CCC(C)(O)C1	REAL300030224957	1	52	0.0	-52.19	384.53	1.88	-50.31
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=NN1CC[NH+](C)C	REAL300030224967	0	54	0.0	-68.51	403.44	4.98	-63.53
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1C[NH+](C)C1	REAL300030224998	0	48	0.0	-76.08	361.66	4.68	-71.40
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@@H+]1C1CCCC1	REAL300030225004	0	55	0.0	-73.41	388.61	6.02	-67.39
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@H+]1C1CCCC1	REAL300030225004	1	55	0.0	-75.66	395.90	6.47	-69.19
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+](C)C	REAL300030225014	0	44	0.0	-77.53	328.38	3.78	-73.75
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@H+](C)CCO	REAL300030225055	0	51	0.0	-51.13	378.25	1.48	-49.65
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@@H+](C)CCO	REAL300030225055	1	51	0.0	-52.38	377.89	1.49	-50.89
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C)[NH+](C)C	REAL300030225056	0	47	0.0	-48.64	343.23	3.78	-44.86
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CCCC[N@@H+]1C	REAL300030225076	0	54	0.0	-69.09	380.08	5.88	-63.21
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CCCC[N@H+]1C	REAL300030225076	1	54	0.0	-78.68	388.42	6.01	-72.67
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CCC3C)C=CN2C=[NH+]1	REAL300030225102	1	49	0.0	-51.62	376.16	7.15	-44.47
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C)[NH+]1CC(C)C1	REAL300030225103	0	51	0.0	-49.54	373.33	4.91	-44.63
CC1CC[N@@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030225108	1	48	0.0	-48.24	353.00	4.27	-43.97
CC1CC[N@H+]1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030225108	1	48	0.0	-51.77	354.99	4.36	-47.41
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=CC[NH+](C)C	REAL300030225123	0	48	0.0	-79.23	363.50	5.01	-74.22
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CC(C)(C)C1	REAL300030225137	1	51	0.0	-52.05	379.36	5.11	-46.94
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCC[NH+]1CCCCC1	REAL300030225151	0	60	0.0	-58.98	435.16	7.48	-51.50
CC1=C(C)[NH+]=C(CCC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)N1	REAL300030225164	1	52	0.0	-46.35	397.79	4.78	-41.57
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1(C2CC[NH+](C)CC2)CC1	REAL300030225174	0	58	0.0	-70.16	407.53	6.39	-63.77
CC1=C2C=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CCC3C)C=CN2C=[NH+]1	REAL300030225183	1	49	0.0	-51.62	376.16	7.15	-44.47
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CSCC[NH+](C)C	REAL300030225193	0	51	0.0	-78.76	395.27	5.79	-72.97
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=C(CCCC2)[NH+]=C1N	REAL300030225215	1	54	0.0	-64.56	403.16	5.17	-59.39
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CCCC1CO	REAL300030225223	0	52	0.0	-75.42	379.06	1.85	-73.57
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+]1CCCC1CO	REAL300030225223	1	52	0.0	-72.36	376.21	2.38	-69.98
CC[NH+](CC)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030225226	0	50	0.0	-49.40	359.42	4.55	-44.85
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+](C)C1CCSC1	REAL300030225239	0	52	0.0	-81.76	388.99	6.06	-75.70
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+](C)C1CCSC1	REAL300030225239	1	52	0.0	-82.26	389.16	6.05	-76.21
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCC1	REAL300030225241	1	45	0.0	-76.59	339.60	4.23	-72.36
CC[NH+](CC)CCC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030225286	0	53	0.0	-54.49	382.36	5.15	-49.34
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCC(C(N)=O)CC1	REAL300030225308	0	55	0.0	-54.20	404.88	1.99	-52.21
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(C[NH+](C)C)=CN1	REAL300030225354	0	52	0.0	-75.32	389.28	5.47	-69.85
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C)[NH+]1CCC(O)CC1	REAL300030225374	0	55	0.0	-49.32	394.69	2.25	-47.07
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2COCC[N@@H+]2C1	REAL300030225380	0	53	0.0	-52.53	384.76	3.72	-48.81
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2COCC[N@H+]2C1	REAL300030225380	1	53	0.0	-54.47	381.92	3.66	-50.81
CC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C)[NH+]1CCC1	REAL300030225396	1	48	0.0	-73.40	353.64	4.61	-68.79
CCC(CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C)C[NH+](C)C	REAL300030225406	0	56	0.0	-81.36	404.28	6.46	-74.90
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=CC1=CC=C(N)[NH+]=C1	REAL300030225413	0	48	0.0	-49.20	373.99	3.69	-45.51
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CCCC[N@@H+]1C	REAL300030225478	0	51	0.0	-71.58	368.86	5.33	-66.25
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)[C@H]1CCCC[N@H+]1C	REAL300030225478	1	51	0.0	-50.55	357.26	4.58	-45.97
CC1CN2CC[N@@H+]1CC2C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030225492	0	54	0.0	-77.64	373.54	2.20	-75.44
CC1CN2CC[N@H+]1CC2C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030225492	1	54	0.0	-65.44	375.88	2.02	-63.42
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC(O)C[NH+](C)C	REAL300030225517	0	51	0.0	-80.53	380.99	2.79	-77.74
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCC(C1)[NH+]2C	REAL300030225520	0	55	0.0	-58.29	382.78	5.40	-52.89
C=CCC(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C)[NH+](C)C	REAL300030225566	0	51	0.0	-71.49	368.45	5.13	-66.36
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCCC[N@@H+]2C1	REAL300030225576	0	55	0.0	-73.74	393.61	6.36	-67.38
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCCC[N@H+]2C1	REAL300030225576	1	55	0.0	-73.42	386.86	6.16	-67.26
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1(O)CC[NH+](C)CC1	REAL300030225592	0	55	0.0	-76.41	399.32	3.96	-72.45
COCC[N@@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030225607	0	58	0.0	-45.31	422.65	5.22	-40.09
COCC[N@H+]1CCCC1CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1C	REAL300030225607	1	58	0.0	-77.16	420.27	4.87	-72.29
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1CC2CCC(C1)[NH+]2C	REAL300030225616	0	58	0.0	-74.51	395.66	6.29	-68.22
CC1CCN(C(=O)C2=CC=NN2CC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030225654	0	54	0.0	-61.97	399.99	4.52	-57.45
CC1CCN(C(=O)C2(C3CC[NH+](C)CC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030225701	0	58	0.0	-64.88	411.78	6.89	-57.99
CC1=C2C=C(C(=O)N3CCC(C)N(C(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300030225713	1	49	0.0	-67.00	374.53	7.02	-59.98
CC1CCN(C(=O)CSCC[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030225724	0	51	0.0	-67.31	395.53	5.47	-61.84
CC1CCN(C(=O)C2CC3COCC[N@@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030225736	0	53	0.0	-74.20	385.26	3.96	-70.24
CC1CCN(C(=O)C2CC3COCC[N@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030225736	1	53	0.0	-67.51	386.39	4.11	-63.40
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1CCC[N@@H+]1C	REAL300030225901	0	52	0.0	-70.77	376.63	4.70	-66.07
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1CCC[N@H+]1C	REAL300030225901	1	52	0.0	-63.76	352.88	4.09	-59.67
CC(C)[N@@H+]1CCCC1C(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300030226081	0	58	0.0	-72.79	384.72	5.85	-66.94
CC(C)[N@H+]1CCCC1C(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300030226081	1	58	0.0	-58.22	384.87	5.77	-52.45
CC1=[NH+]C=CN1CC(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300030226114	1	50	0.0	-62.25	363.36	5.17	-57.08
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1C[NH+]2CCC1CC2	REAL300030226142	0	56	0.0	-82.43	372.29	5.11	-77.32
C[C@@H]1[C@H](C(=O)N2C3CCC2CC(N(C)C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030226176	0	55	0.0	-64.17	370.97	4.90	-59.27
C[C@@H]1[C@H](C(=O)N2C3CCC2CC(N(C)C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030226176	1	55	0.0	-74.29	397.36	5.84	-68.45
CC[C@@H]1[C@@H](C(=O)N2C3CCC2CC(N(C)C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030226178	0	58	0.0	-78.40	386.55	5.14	-73.26
CC[C@@H]1[C@@H](C(=O)N2C3CCC2CC(N(C)C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030226178	1	58	0.0	-79.20	388.60	5.44	-73.76
CC[N@@H+]1CCOC(C(=O)N2C3CCC2CC(N(C)C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030226185	1	56	0.0	-70.89	383.17	4.42	-66.47
CC[N@H+]1CCOC(C(=O)N2C3CCC2CC(N(C)C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030226185	1	56	0.0	-91.90	383.18	4.37	-87.53
CC[NH+](CC)CC(F)C(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300030226213	0	57	0.0	-62.56	390.03	5.13	-57.43
CC1CCC(C)[NH+]1CC(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300030226249	0	58	0.0	-58.86	392.23	5.47	-53.39
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)CCC[NH+]1CCCC1	REAL300030226252	0	58	0.0	-66.29	403.19	6.04	-60.25
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)CC[NH+]1CCCCC1	REAL300030226255	0	58	0.0	-64.90	399.06	6.02	-58.88
CC[N@@H+]1CCCCC1C(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300030226258	0	58	0.0	-72.33	379.57	5.22	-67.11
CC[N@H+]1CCCCC1C(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300030226258	1	58	0.0	-67.98	405.84	5.90	-62.08
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1([NH+](C)C)CCC1	REAL300030226269	0	55	0.0	-72.14	383.14	5.14	-67.00
CC(C)[C@@H](C(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030226276	0	57	0.0	-63.99	378.32	4.77	-59.22
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C[N@H+](C)C1CCC1	REAL300030226301	0	55	0.0	-61.79	381.08	5.56	-56.23
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C[N@@H+](C)C1CCC1	REAL300030226301	1	55	0.0	-70.70	405.16	6.21	-64.49
C#CC[N@H+]1CCC[C@H]1C(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300030226377	1	54	0.0	-69.96	403.40	5.95	-64.01
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300030226377	1	54	0.0	-70.13	406.57	6.26	-63.87
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)CCC1CCC[N@@H+]1C	REAL300030226382	0	58	0.0	-71.66	420.02	6.26	-65.40
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)CCC1CCC[N@H+]1C	REAL300030226382	1	58	0.0	-76.25	425.64	6.71	-69.54
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1CC[NH+](C)CC1	REAL300030226402	0	55	0.0	-69.81	373.01	4.88	-64.93
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1CCCC[N@@H+]1C	REAL300030226441	0	55	0.0	-70.22	384.51	5.17	-65.05
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1CCCC[N@H+]1C	REAL300030226441	1	55	0.0	-68.19	399.49	5.78	-62.41
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300030226511	0	50	0.0	-63.96	369.37	6.98	-56.98
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)CC[NH+]1CCOCC1	REAL300030226518	1	56	0.0	-68.07	390.33	3.59	-64.48
CC1=C[NH+]=CN1CC(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300030226531	1	50	0.0	-63.07	364.72	5.93	-57.14
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C12CCC[NH+]1CCC2	REAL300030226552	0	56	0.0	-71.72	369.80	4.77	-66.95
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)CC1CC[N@H+](C)C1	REAL300030226563	0	55	0.0	-74.43	403.90	5.81	-68.62
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)CC1CC[N@@H+](C)C1	REAL300030226563	1	55	0.0	-80.18	381.46	5.22	-74.96
CN(C)C1=CC=[NH+]C=C1C(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300030226569	0	54	0.0	-87.63	382.20	3.46	-84.17
CCC(C(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030226571	0	54	0.0	-70.92	388.31	5.17	-65.75
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300030226598	1	50	0.0	-67.81	369.49	7.00	-60.81
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)CCCC[NH+](C)C	REAL300030226630	0	57	0.0	-68.52	400.33	5.76	-62.76
CC(C)C(C(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030226644	0	57	0.0	-59.30	376.37	4.87	-54.43
CCC[N@H+](C)CCC(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300030226645	0	57	0.0	-74.87	420.46	6.19	-68.68
CCC[N@@H+](C)CCC(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300030226645	1	57	0.0	-75.00	420.47	6.18	-68.82
CCC[N@H+](C)CC(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300030226649	0	54	0.0	-73.03	398.19	5.64	-67.39
CCC[N@@H+](C)CC(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300030226649	1	54	0.0	-63.87	374.19	4.99	-58.88
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C12CC[N@H+](C1)CCC2	REAL300030226664	0	56	0.0	-77.95	388.06	4.95	-73.00
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C12CC[N@@H+](C1)CCC2	REAL300030226664	1	56	0.0	-66.86	365.31	4.27	-62.59
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)[C@H]1CCC[N@@H+]1C	REAL300030226690	0	52	0.0	-61.42	356.90	4.43	-56.99
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)[C@H]1CCC[N@H+]1C	REAL300030226690	1	52	0.0	-71.21	376.15	4.71	-66.50
CC[NH+](CC)CC(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300030226725	0	54	0.0	-61.77	365.51	4.60	-57.17
CC1CC[NH+](CC(=O)N2C3CCC2CC(N(C)C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030226786	0	58	0.0	-73.18	421.45	6.68	-66.50
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1(C[NH+](C)C)CC1	REAL300030226808	0	55	0.0	-74.42	405.91	5.72	-68.70
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1CC[NH+](C)CC1	REAL300030226861	0	55	0.0	-69.81	373.01	4.88	-64.93
CC(C)[C@H](C(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030226877	0	57	0.0	-60.62	373.23	4.89	-55.73
CCC(C(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2)[NH+](CC)CC	REAL300030226905	0	60	0.0	-65.66	418.76	6.28	-59.38
CC[N@H+](C)CCC(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300030226946	0	54	0.0	-74.24	398.97	5.45	-68.79
CC[N@@H+](C)CCC(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300030226946	1	54	0.0	-66.18	375.05	4.84	-61.34
CC1CCC[N@@H+]1CC(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300030226976	0	55	0.0	-72.12	373.72	4.98	-67.14
CC1CCC[N@H+]1CC(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300030226976	1	55	0.0	-70.23	403.27	5.96	-64.27
CC1CC[N@H+](CC(=O)N2C3CCC2CC(N(C)C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030226978	0	55	0.0	-71.61	404.82	5.85	-65.76
CC1CC[N@@H+](CC(=O)N2C3CCC2CC(N(C)C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030226978	1	55	0.0	-76.21	381.10	5.29	-70.92
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300030226982	0	58	0.0	-77.09	400.38	5.83	-71.26
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C[N@H+]1CCC(C)(C)C1	REAL300030226982	1	58	0.0	-76.15	399.83	5.82	-70.33
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C[N@H+](C)CC(C)(C)C	REAL300030226983	0	60	0.0	-61.46	409.05	6.40	-55.06
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C[N@@H+](C)CC(C)(C)C	REAL300030226983	1	60	0.0	-72.82	426.03	6.62	-66.20
CC[C@@H](C(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030226991	0	54	0.0	-64.19	363.80	4.65	-59.54
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C[NH+](C)C	REAL300030227095	0	48	0.0	-64.86	334.96	3.58	-61.28
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C[NH+]1CCCCCC1	REAL300030227099	0	58	0.0	-62.21	386.02	5.60	-56.61
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C[N+]1=CN(C)C=C1	REAL300030227102	0	50	0.0	-62.64	366.29	7.06	-55.58
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1CCC[N@H+](C)C1	REAL300030227107	0	55	0.0	-71.24	366.55	5.02	-66.22
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1CCC[N@@H+](C)C1	REAL300030227107	1	55	0.0	-74.13	403.02	5.71	-68.42
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1CCC[N@@H+]1C1CC1	REAL300030227112	0	56	0.0	-72.07	386.11	5.80	-66.27
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1CCC[N@H+]1C1CC1	REAL300030227112	1	56	0.0	-58.58	383.76	5.69	-52.89
CC(C(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300030227128	0	52	0.0	-74.59	352.24	4.07	-70.52
CCC(CC(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300030227132	0	60	0.0	-62.04	409.78	6.18	-55.86
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C(C)(C)C[NH+](C)C	REAL300030227137	0	57	0.0	-65.35	373.93	4.66	-60.69
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C[NH+]1CCC(O)CC1	REAL300030227152	0	56	0.0	-77.39	411.70	2.72	-74.67
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C[N@H+](C)C1CC1	REAL300030227153	0	52	0.0	-61.47	364.38	5.00	-56.47
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C[N@@H+](C)C1CC1	REAL300030227153	1	52	0.0	-70.90	388.11	5.63	-65.27
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)CC1C[NH+](C)C1	REAL300030227169	0	52	0.0	-67.62	366.35	4.40	-63.22
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300030227180	0	58	0.0	-59.05	396.04	5.24	-53.81
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1CC[N@H+]1C(C)(C)C	REAL300030227180	1	58	0.0	-68.75	403.94	5.25	-63.50
C[C@@H](C(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030227191	0	51	0.0	-64.22	350.48	3.92	-60.30
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)CN1C=CSC1=[NH2+]	REAL300030227250	0	48	0.0	-59.24	362.02	3.78	-55.46
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)CC[N@H+](C)CCO	REAL300030227257	0	55	0.0	-74.12	409.33	2.23	-71.89
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)CC[N@@H+](C)CCO	REAL300030227257	1	55	0.0	-73.32	409.24	2.26	-71.06
C[C@@H](C(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030227258	0	51	0.0	-64.22	350.48	3.92	-60.30
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)[C@H]1CCCC[N@@H+]1C	REAL300030227262	0	55	0.0	-61.74	375.48	5.16	-56.58
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)[C@H]1CCCC[N@H+]1C	REAL300030227262	1	55	0.0	-61.49	361.38	4.59	-56.90
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C[NH+]1CCC1	REAL300030227312	1	49	0.0	-73.00	368.76	4.67	-68.33
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C=C1CC[N@H+](C)C1	REAL300030227331	0	53	0.0	-75.60	395.98	5.75	-69.85
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C=C1CC[N@@H+](C)C1	REAL300030227331	1	53	0.0	-75.97	396.13	5.71	-70.26
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)COCC[NH+](C)C	REAL300030227354	0	55	0.0	-65.26	390.81	4.66	-60.60
C=CCC(C)(C(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030227368	0	58	0.0	-77.15	373.69	4.87	-72.28
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C(O)CC[S+](C)C	REAL300030227372	0	54	0.0	-75.36	417.35	3.57	-71.79
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1(C)CC(O)C[N@@H+]1C	REAL300030227391	0	56	0.0	-63.80	373.99	0.89	-62.91
CC1CN(CC(=O)N2C3CCC2CC(N(C)C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030227410	0	52	0.0	-72.89	389.79	5.28	-67.61
CC1C[NH+](CC(=O)N2C3CCC2CC(N(C)C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030227410	1	52	0.0	-72.89	389.79	5.28	-67.61
CN(CCO)CC(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300030227428	0	52	0.0	-64.72	363.14	0.97	-63.75
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C[N@H+](C)CCO	REAL300030227428	1	52	0.0	-73.06	386.76	1.70	-71.36
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C[N@@H+](C)CCO	REAL300030227428	1	52	0.0	-73.06	386.76	1.70	-71.36
CC[N@@H+]1CCCC(C(=O)N2C3CCC2CC(N(C)C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030227448	0	58	0.0	-64.20	390.89	5.53	-58.67
CC[N@H+]1CCCC(C(=O)N2C3CCC2CC(N(C)C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030227448	1	58	0.0	-64.20	390.89	5.53	-58.67
CC(CC(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300030227450	0	57	0.0	-67.24	391.97	5.57	-61.67
CC[N@H+](C)CC(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300030227455	0	51	0.0	-63.63	352.69	4.25	-59.38
CC[N@H+](CC(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030227488	0	55	0.0	-60.51	380.62	5.54	-54.97
CC[NH+](CC)CCC(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300030227498	0	57	0.0	-64.68	392.74	5.53	-59.15
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)CN1CC(C)(C)C1	REAL300030227516	0	55	0.0	-63.28	385.23	5.17	-58.11
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C[NH+]1CC(C)(C)C1	REAL300030227516	1	55	0.0	-63.28	385.23	5.17	-58.11
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300030227534	0	56	0.0	-75.64	390.95	1.96	-73.68
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C=CC[NH+](C)C	REAL300030227538	0	52	0.0	-76.01	394.70	5.42	-70.59
CC(OCC[NH+](C)C)C(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300030227547	0	58	0.0	-67.03	403.89	5.05	-61.98
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)CCOCC[NH+](C)C	REAL300030227553	0	58	0.0	-65.19	411.67	4.45	-60.74
COCCN(C)CC(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300030227554	0	55	0.0	-72.88	409.02	4.09	-68.79
COCC[N@H+](C)CC(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300030227554	1	55	0.0	-64.68	385.39	3.38	-61.30
COCC[N@@H+](C)CC(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300030227554	1	55	0.0	-64.68	385.39	3.38	-61.30
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1([NH+](C)C)CCCC1	REAL300030227574	0	58	0.0	-74.33	393.60	5.52	-68.81
CC(CCC(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030227576	0	57	0.0	-68.32	387.35	5.33	-62.99
CC[N@@H+]1CCC1C(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300030227582	0	52	0.0	-72.49	389.12	5.11	-67.38
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C[N@@H+]1CCCC1CO	REAL300030227595	0	56	0.0	-72.18	407.88	2.25	-69.93
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1(C)CC[NH+](C)CC1	REAL300030227617	0	58	0.0	-71.89	381.63	4.98	-66.91
C=CCC(C(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030227636	0	55	0.0	-59.35	371.28	4.80	-54.55
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300030227643	0	58	0.0	-72.01	396.09	5.49	-66.52
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1CC(C)(C)C[N@H+]1C	REAL300030227643	1	58	0.0	-72.01	396.09	5.49	-66.52
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)CCCCC[NH+](C)C	REAL300030227645	0	60	0.0	-68.58	421.83	6.53	-62.05
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C[NH+]1CC2CC2C1	REAL300030227650	0	53	0.0	-63.22	370.68	5.46	-57.76
CCCC(C(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030227666	0	57	0.0	-71.57	409.82	5.93	-65.64
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C(C)(C)[NH+](C)C	REAL300030227669	0	54	0.0	-57.94	353.76	3.89	-54.05
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1CCCC[N@@H+]1C	REAL300030227695	0	55	0.0	-68.19	399.49	5.78	-62.41
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)CC1=CC[N@H+](C)CC1	REAL300030227719	0	56	0.0	-69.72	417.15	6.55	-63.17
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)CC1=CC[N@@H+](C)CC1	REAL300030227719	1	56	0.0	-69.72	417.15	6.55	-63.17
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C=CC[NH+]1CCCC1	REAL300030227759	0	56	0.0	-67.65	395.90	5.98	-61.67
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)CC[NH+]1CCCC1	REAL300030227792	0	55	0.0	-65.11	383.39	5.31	-59.80
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C12CC(C1)C[N@@H+]2C	REAL300030227821	0	53	0.0	-71.77	379.48	5.25	-66.52
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C[N@@H+]1CC2CCC1C2	REAL300030227828	0	56	0.0	-74.22	379.06	5.45	-68.77
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C[N@H+]1CC2CCC1C2	REAL300030227828	1	56	0.0	-74.22	379.06	5.45	-68.77
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C[N@@H+]1CC2C=CC1C2	REAL300030227868	1	54	0.0	-72.10	373.84	5.41	-66.69
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C[N@H+]1CC2C=CC1C2	REAL300030227868	1	54	0.0	-69.54	397.99	6.09	-63.45
CC(C[NH+](C)C)C(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300030227900	0	54	0.0	-60.55	366.58	4.56	-55.99
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)CC1CCCC[N@@H+]1C	REAL300030227950	0	58	0.0	-75.25	416.13	6.41	-68.84
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)CC1CCCC[N@H+]1C	REAL300030227950	1	58	0.0	-65.71	410.15	6.30	-59.41
CC(C(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CC(C)C1	REAL300030227960	0	55	0.0	-61.23	376.92	4.83	-56.40
CC1CC[N@@H+]1CC(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300030227962	0	52	0.0	-71.63	389.28	5.32	-66.31
CC1CC[N@H+]1CC(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300030227962	1	52	0.0	-72.06	389.29	5.27	-66.79
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)CC(O)C[NH+](C)C	REAL300030227965	0	55	0.0	-70.40	387.53	2.68	-67.72
CC1C[N@H+](C)CC(C(=O)N2C3CCC2CC(N(C)C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030227985	1	56	0.0	-84.69	379.64	4.34	-80.35
CC1C[N@@H+](C)CC(C(=O)N2C3CCC2CC(N(C)C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030227985	1	56	0.0	-73.51	379.62	4.02	-69.49
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300030228032	0	55	0.0	-77.20	384.44	5.30	-71.90
CC(CC[NH+](C)C)C(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300030228038	0	57	0.0	-73.30	412.42	5.72	-67.58
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)CN1CC[NH+](C)CC1	REAL300030228057	1	57	0.0	-68.21	393.84	3.09	-65.12
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)CSC(N)=[NH2+]	REAL300030228081	0	46	0.0	-64.91	342.98	0.55	-64.36
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1(CC[NH+](C)C)CC1	REAL300030228110	0	58	0.0	-75.15	431.15	6.60	-68.55
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)CC1CC=CC[N@@H+]1C	REAL300030228111	0	56	0.0	-83.32	385.19	5.68	-77.64
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)CC1CC=CC[N@H+]1C	REAL300030228111	1	56	0.0	-66.49	404.69	6.22	-60.27
C[C@@H](OCC[NH+](C)C)C(=O)N1C2CCC1CC(N(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300030228124	0	58	0.0	-70.42	427.26	5.70	-64.72
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)[C@@H]1CCC[N@@H+]1C	REAL300030228215	0	52	0.0	-69.48	380.12	5.03	-64.45
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)[C@@H]1CCC[N@H+]1C	REAL300030228215	1	52	0.0	-69.48	380.12	5.03	-64.45
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)CC[N@@H+]1CCC(F)C1	REAL300030228221	0	55	0.0	-85.93	388.98	5.35	-80.58
CC1C(C(=O)N2C3CCC2CC(N(C)C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030228240	0	55	0.0	-72.40	394.40	5.59	-66.81
CC1C(C(=O)N2C3CCC2CC(N(C)C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030228240	1	55	0.0	-72.40	394.40	5.59	-66.81
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)CC1COCCN1C	REAL300030228269	0	56	0.0	-79.52	408.77	4.07	-75.45
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)CC1COCC[N@@H+]1C	REAL300030228269	1	56	0.0	-74.86	378.15	3.32	-71.54
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)CC1COCC[N@H+]1C	REAL300030228269	1	56	0.0	-74.86	378.15	3.32	-71.54
CN(C(=O)C1CCC[N@@H+]1C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030228440	0	52	0.0	-82.36	351.10	4.03	-78.33
CN(C(=O)C1CCC[N@H+]1C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030228440	1	52	0.0	-82.36	351.10	4.03	-78.33
CN(C(=O)C1CN(C)CCO1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030228466	0	53	0.0	-76.54	389.55	4.40	-72.14
CN(C(=O)C1C[N@H+](C)CCO1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030228466	1	53	0.0	-84.43	358.99	3.55	-80.88
CN(C(=O)C1C[N@@H+](C)CCO1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030228466	1	53	0.0	-84.43	358.99	3.55	-80.88
CN(C(=O)CCN1CCOCC1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030228618	0	56	0.0	-88.41	389.34	3.64	-84.77
CN(C(=O)CC[NH+]1CCOCC1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030228618	1	56	0.0	-88.41	389.34	3.64	-84.77
CN(C(=O)C1=CC2=CN=CN2C=C1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030228631	0	50	0.0	-78.30	361.78	6.71	-71.59
CN(C(=O)C1=CC2=C[NH+]=CN2C=C1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030228631	1	50	0.0	-78.30	361.78	6.71	-71.59
CN(C(=O)CC1CC[N@H+](C)C1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030228659	0	55	0.0	-81.01	380.17	5.10	-75.91
CN(C(=O)CC1CC[N@@H+](C)C1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030228659	1	55	0.0	-81.01	380.17	5.10	-75.91
CCC(C(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030228666	0	54	0.0	-79.33	349.99	4.17	-75.16
CN(C(=O)CCCC[NH+](C)C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030228701	0	57	0.0	-83.04	399.26	5.75	-77.29
CCC[N@H+](C)CCC(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030228716	0	57	0.0	-86.21	395.49	5.58	-80.63
CCC[N@@H+](C)CCC(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030228716	1	57	0.0	-86.21	395.49	5.58	-80.63
CCC[N@H+](C)CC(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030228719	0	54	0.0	-84.77	373.38	5.01	-79.76
CCC[N@@H+](C)CC(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030228719	1	54	0.0	-84.77	373.38	5.01	-79.76
CN(C(=O)C12CC[N@H+](C1)CCC2)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030228731	0	56	0.0	-93.62	359.85	4.11	-89.51
CN(C(=O)C12CC[N@@H+](C1)CCC2)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030228731	1	56	0.0	-93.62	359.85	4.11	-89.51
CC1CC[NH+](CC(=O)N(C)C2CC3CCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030228761	0	58	0.0	-83.54	396.98	6.14	-77.40
CN(C(=O)C1(C[NH+](C)C)CC1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030228792	0	55	0.0	-86.14	378.10	4.96	-81.18
CC[N@H+](C)CCC(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030228808	0	54	0.0	-82.82	374.32	4.79	-78.03
CC[N@@H+](C)CCC(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030228808	1	54	0.0	-82.82	374.32	4.79	-78.03
CN(C(=O)C1C[NH+]2CCC1CC2)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030228825	0	56	0.0	-84.18	357.87	4.78	-79.40
CN(C(=O)C1CC[NH+](C)CC1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030228865	0	55	0.0	-88.00	373.44	4.90	-83.10
CC[NH+](CC)CC(F)C(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030228927	0	57	0.0	-84.13	388.38	5.13	-79.00
CCC(C(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300030228960	0	60	0.0	-74.60	387.35	5.54	-69.06
CC1CCC[N@@H+]1CC(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030228970	0	55	0.0	-67.22	403.25	5.82	-61.40
CC1CCC[N@H+]1CC(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030228970	1	55	0.0	-67.03	396.00	5.52	-61.51
CC(C)[N@@H+]1CCCC1C(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229012	0	58	0.0	-80.19	383.38	6.36	-73.83
CC(C)[N@H+]1CCCC1C(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229012	1	58	0.0	-65.76	412.36	6.08	-59.68
CC1CC[N@H+](CC(=O)N(C)C2CC3CCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030229032	0	55	0.0	-80.93	380.49	5.18	-75.75
CC1CC[N@@H+](CC(=O)N(C)C2CC3CCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030229032	1	55	0.0	-69.66	402.61	5.90	-63.76
CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229035	0	58	0.0	-81.51	399.77	5.76	-75.75
CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229035	1	58	0.0	-69.58	422.53	6.38	-63.20
CN(C(=O)C[N@H+](C)CC(C)(C)C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229036	0	60	0.0	-81.98	403.85	6.13	-75.85
CN(C(=O)C[N@@H+](C)CC(C)(C)C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229036	1	60	0.0	-69.85	426.93	6.63	-63.22
CC[C@@H](C(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030229043	0	54	0.0	-79.10	355.59	4.17	-74.93
CC1=[NH+]C=CN1CC(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229154	1	50	0.0	-66.55	386.74	5.75	-60.80
CC[N@@H+]1CCOC(C(=O)N(C)C2CC3CCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030229210	1	56	0.0	-90.01	377.07	4.04	-85.97
CC[N@H+]1CCOC(C(=O)N(C)C2CC3CCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030229210	1	56	0.0	-83.05	398.74	4.78	-78.27
CN(C(=O)C1=CN2C=[NH+]C=C2C=C1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229234	0	50	0.0	-77.16	361.28	6.64	-70.52
CC1=C[NH+]=CN1CC(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229237	1	50	0.0	-78.34	362.93	5.82	-72.52
C[C@@H]1[C@H](C(=O)N(C)C2CC3CCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030229243	0	55	0.0	-88.76	369.50	4.58	-84.18
C[C@@H]1[C@H](C(=O)N(C)C2CC3CCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030229243	1	55	0.0	-87.06	376.19	4.88	-82.18
CC[C@@H]1[C@@H](C(=O)N(C)C2CC3CCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030229245	0	58	0.0	-72.15	414.07	5.76	-66.39
CC[C@@H]1[C@@H](C(=O)N(C)C2CC3CCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030229245	1	58	0.0	-80.10	390.66	5.48	-74.62
CC1CCC(C)[NH+]1CC(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229251	0	58	0.0	-83.56	387.24	6.67	-76.89
CN(C(=O)CCC[NH+]1CCCC1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229254	0	58	0.0	-80.05	404.07	6.09	-73.96
CN(C(=O)CC[NH+]1CCCCC1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229257	0	58	0.0	-82.54	397.77	5.97	-76.57
CN(C(=O)C[N@H+](C)C1CCC1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229339	0	55	0.0	-82.65	380.27	5.58	-77.07
CN(C(=O)C[N@@H+](C)C1CCC1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229339	1	55	0.0	-79.82	380.44	5.50	-74.32
CN(C(=O)C1CC[NH+](C)CC1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229368	0	55	0.0	-88.00	373.44	4.90	-83.10
CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229392	0	52	0.0	-78.32	354.37	4.31	-74.01
CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229392	1	52	0.0	-68.07	376.29	4.69	-63.38
CN(C(=O)CCC1CCC[N@@H+]1C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229411	0	58	0.0	-79.14	395.71	5.60	-73.54
CN(C(=O)CCC1CCC[N@H+]1C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229411	1	58	0.0	-71.53	424.59	6.67	-64.86
CC1C(C(=O)N(C)C2CC3CCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030229519	0	55	0.0	-85.02	370.32	5.01	-80.01
CC1C(C(=O)N(C)C2CC3CCC(C2)N3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030229519	1	55	0.0	-81.45	370.84	4.83	-76.62
CN(C(=O)C1CC[N@@H+]1C(C)(C)C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229563	0	58	0.0	-66.77	395.93	5.22	-61.55
CN(C(=O)C1CC[N@H+]1C(C)(C)C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229563	1	58	0.0	-78.77	360.30	4.67	-74.10
C[C@@H](C(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030229577	0	51	0.0	-81.85	345.45	3.88	-77.97
C=CCC(C)(C(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030229591	0	58	0.0	-75.64	375.19	4.83	-70.81
CN(C(=O)CC[NH+]1CCCC1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229608	0	55	0.0	-81.36	382.46	5.28	-76.08
CN(C(=O)C[N@H+](C)CCO)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229617	1	52	0.0	-71.16	385.38	1.58	-69.58
CN(C(=O)C[N@@H+](C)CCO)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229617	1	52	0.0	-70.37	385.17	1.57	-68.80
CN(C(=O)CC1=CC[N@H+](C)CC1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229668	0	56	0.0	-76.53	393.45	5.90	-70.63
CN(C(=O)CC1=CC[N@@H+](C)CC1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229668	1	56	0.0	-69.79	416.49	6.51	-63.28
CN(C(=O)C(O)CC[S+](C)C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229676	0	54	0.0	-89.95	393.80	2.89	-87.06
CC1C[NH+](CC(=O)N(C)C2CC3CCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030229716	1	52	0.0	-82.06	365.19	4.61	-77.45
CC[N@@H+]1CCCC(C(=O)N(C)C2CC3CCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030229720	0	58	0.0	-65.22	408.50	6.33	-58.89
CC[N@H+]1CCCC(C(=O)N(C)C2CC3CCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030229720	1	58	0.0	-74.52	385.15	5.70	-68.82
CN(C(=O)CC1=CC=C[NH+]=C1N)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229724	0	51	0.0	-75.83	368.47	3.36	-72.47
CN(C(=O)C1CCC[N@@H+]1C1CC1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229730	0	56	0.0	-76.64	374.80	5.20	-71.44
CN(C(=O)C1CCC[N@H+]1C1CC1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229730	1	56	0.0	-80.52	382.23	5.46	-75.06
CN(C(=O)C=CC[NH+]1CCCC1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229756	0	56	0.0	-81.83	394.05	5.80	-76.03
CC[N@H+](C)CC(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229791	0	51	0.0	-70.26	375.03	4.81	-65.45
CN(C(=O)CN1CC2C=CC1C2)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229821	0	54	0.0	-83.32	373.30	5.55	-77.77
CN(C(=O)C[N@@H+]1CC2C=CC1C2)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229821	1	54	0.0	-77.25	373.44	5.39	-71.86
CN(C(=O)C[N@H+]1CC2C=CC1C2)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229821	1	54	0.0	-77.25	373.44	5.39	-71.86
CN(C(=O)C1C[NH+]2CCN1CC2)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229869	0	55	0.0	-85.96	368.90	1.77	-84.19
CC(OCC[NH+](C)C)C(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229898	0	58	0.0	-76.37	400.38	4.83	-71.54
CN(C(=O)CCOCC[NH+](C)C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229905	0	58	0.0	-79.34	410.70	4.40	-74.94
COCC[N@H+](C)CC(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229907	1	55	0.0	-70.18	407.42	3.97	-66.21
COCC[N@@H+](C)CC(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229907	1	55	0.0	-71.31	407.64	3.98	-67.33
CC(CCC(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030229910	0	57	0.0	-87.43	387.08	5.36	-82.07
CN(C(=O)C=C1CC[NH+](C)CC1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229919	0	56	0.0	-73.33	410.45	6.44	-66.89
CC[N@H+](CC(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030229925	0	55	0.0	-77.56	379.41	5.30	-72.26
CC[N@@H+](CC(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030229925	1	55	0.0	-78.83	378.16	5.31	-73.52
CN(C(=O)C[N@@H+]1CC2CCC1C2)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229955	0	56	0.0	-68.17	403.90	6.25	-61.92
CN(C(=O)C[N@H+]1CC2CCC1C2)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229955	1	56	0.0	-79.79	380.80	5.61	-74.18
CC(C[NH+](C)C)C(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229969	0	54	0.0	-80.36	367.12	4.48	-75.88
C[C@H](C(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030229994	0	51	0.0	-81.37	348.14	3.65	-77.72
CC[N@@H+]1CCC1C(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229999	1	52	0.0	-80.35	355.44	4.18	-76.17
CC[N@H+]1CCC1C(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229999	1	52	0.0	-79.14	351.22	3.88	-75.26
CCC(C)(C)[NH2+]C(C)C(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230008	0	60	0.0	-75.79	391.12	3.61	-72.18
CNC1=[NH+]C(C)=CC=C1C(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230033	1	54	0.0	-73.35	382.09	4.77	-68.58
CN(C(=O)C1=C[NH+]=CC=C1N)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230034	0	48	0.0	-84.45	339.88	1.49	-82.96
CCCC(C(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030230042	0	57	0.0	-80.56	368.90	4.80	-75.76
CC(CC[NH+](C)C)C(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230059	0	57	0.0	-79.43	388.67	5.09	-74.34
CN(C(=O)C1CC(C)(C)C[N@@H+]1C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230115	0	58	0.0	-75.13	387.90	5.03	-70.10
CN(C(=O)C1CC(C)(C)C[N@H+]1C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230115	1	58	0.0	-79.99	393.31	5.60	-74.39
CN(C(=O)CCCCC[NH+](C)C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230117	0	60	0.0	-80.95	420.76	6.54	-74.41
CN(C(=O)CN1CC[NH+](C)CC1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230124	1	57	0.0	-78.45	393.01	3.05	-75.40
CC1C[N@H+](C)CC(C(=O)N(C)C2CC3CCC(C2)N3C(=O)C2=CC(=O)[N-]O2)O1	REAL300030230172	1	56	0.0	-77.70	403.89	5.14	-72.56
CC1C[N@@H+](C)CC(C(=O)N(C)C2CC3CCC(C2)N3C(=O)C2=CC(=O)[N-]O2)O1	REAL300030230172	1	56	0.0	-75.54	403.88	5.13	-70.41
CN(C(=O)C[NH+]1CC2CC2C1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230202	0	53	0.0	-82.40	369.55	5.39	-77.01
CN(C(=O)C1CCCC[N@@H+]1C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230223	0	55	0.0	-66.25	397.93	5.75	-60.50
CN(C(=O)C1CCCC[N@H+]1C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230223	1	55	0.0	-82.32	362.63	4.72	-77.60
CN(C(=O)C=C1CC[N@H+](C)C1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230283	0	53	0.0	-81.38	372.42	5.10	-76.28
CN(C(=O)C=C1CC[N@@H+](C)C1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230283	1	53	0.0	-74.60	395.23	5.71	-68.89
CN(C(=O)CNC1=CC=[NH+]C=C1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230286	0	51	0.0	-78.81	369.93	2.79	-76.02
CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230352	0	52	0.0	-70.41	376.43	4.68	-65.73
CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230352	1	52	0.0	-76.57	379.92	4.98	-71.59
CN(C(=O)CCC1=CC=C(N)[NH+]=C1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230390	0	54	0.0	-77.42	393.24	4.05	-73.37
CN(C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230434	0	55	0.0	-70.38	406.48	5.90	-64.48
CN(C(=O)CC1CC=CC[N@@H+]1C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230442	0	56	0.0	-84.09	385.54	5.63	-78.46
CN(C(=O)CC1CC=CC[N@H+]1C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230442	1	56	0.0	-73.20	408.58	6.26	-66.94
CN(C(=O)COCC[NH+](C)C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230477	0	55	0.0	-80.26	389.77	4.51	-75.75
CN(C(=O)CN1C=CSC1=[NH2+])C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230498	0	48	0.0	-65.57	384.37	4.33	-61.24
C[C@@H](OCC[NH+](C)C)C(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230532	0	58	0.0	-69.84	428.16	5.71	-64.13
CN(C(=O)C1CCC[N@H+](C)C1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230555	0	55	0.0	-65.84	390.82	5.68	-60.16
CN(C(=O)C1CCC[N@@H+](C)C1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230555	1	55	0.0	-65.84	390.82	5.68	-60.16
CN(C(=O)C[NH+]1CCCCCC1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230556	0	58	0.0	-81.03	385.29	5.55	-75.48
CN(C(=O)C[N+]1=CN(C)C=C1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230560	0	50	0.0	-78.15	365.47	7.04	-71.11
CN(C(=O)CN1CCC(O)CC1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230579	0	56	0.0	-87.35	387.22	2.17	-85.18
CN(C(=O)C[NH+]1CCC(O)CC1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230579	1	56	0.0	-87.35	387.22	2.17	-85.18
CN(C(=O)C[N@H+](C)C1CC1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230581	0	52	0.0	-79.58	363.63	4.91	-74.67
CN(C(=O)CC[N@@H+]1CCC(F)C1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230584	0	55	0.0	-89.17	388.39	5.47	-83.70
CC(CC(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030230603	0	57	0.0	-80.57	391.39	5.56	-75.01
CN(C(=O)CC1COCCN1C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230622	0	56	0.0	-79.04	377.37	3.24	-75.80
CN(C(=O)CC1COCC[N@@H+]1C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230622	1	56	0.0	-90.82	384.55	3.49	-87.33
CN(C(=O)CC1COCC[N@H+]1C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230622	1	56	0.0	-90.82	384.55	3.49	-87.33
CC1=CC(N)=NC=C1C(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230651	0	51	0.0	-81.45	358.39	2.62	-78.83
CC1=CC(N)=[NH+]C=C1C(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230651	1	51	0.0	-81.45	358.39	2.62	-78.83
CN(C(=O)C[N@@H+]1CCC(C)(O)C1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230677	0	56	0.0	-80.65	390.28	1.94	-78.71
CN(C(=O)CC1C[NH+](C)C1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230703	0	52	0.0	-72.16	388.75	5.00	-67.16
CN(C(=O)CC[N@H+](C)CCO)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230732	0	55	0.0	-81.37	384.52	1.62	-79.75
CN(C(=O)CC[N@@H+](C)CCO)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230732	1	55	0.0	-81.37	384.52	1.62	-79.75
CN(C(=O)CC1CCCC[N@@H+]1C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230746	0	58	0.0	-86.40	393.29	5.84	-80.56
CN(C(=O)CC1CCCC[N@H+]1C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230746	1	58	0.0	-86.40	393.29	5.84	-80.56
CC1CCN1CC(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230760	0	52	0.0	-68.87	388.51	5.21	-63.66
CC1CC[N@@H+]1CC(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230760	1	52	0.0	-68.22	383.13	4.95	-63.27
CC1CC[N@H+]1CC(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230760	1	52	0.0	-68.22	383.13	4.95	-63.27
CN(C(=O)C=CC[NH+](C)C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230765	0	52	0.0	-85.61	370.82	4.86	-80.75
CN(C(=O)CN1CC(C)(C)C1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230770	0	55	0.0	-84.90	384.98	5.28	-79.62
CN(C(=O)C[NH+]1CC(C)(C)C1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230770	1	55	0.0	-84.90	384.98	5.28	-79.62
CN(C(=O)CSCC[NH+](C)C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230790	0	55	0.0	-86.63	400.79	5.57	-81.06
CN(C(=O)C[N@@H+]1CCCC1CO)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230807	0	56	0.0	-83.48	388.01	2.06	-81.42
CC[NH+](CC)CC(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230811	0	54	0.0	-80.97	365.13	4.62	-76.35
CN(C(=O)CN1CCC1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230820	0	49	0.0	-82.14	344.32	3.93	-78.21
CN(C(=O)C[NH+]1CCC1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230820	1	49	0.0	-82.14	344.32	3.93	-78.21
CC[NH+](CC)CCC(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230845	0	57	0.0	-83.64	391.52	5.50	-78.14
CC(C(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030230889	1	52	0.0	-76.96	356.49	4.28	-72.68
CCC(CC(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030230894	0	60	0.0	-76.92	403.81	6.15	-70.77
CN(C(=O)C=CC1=CC=C(N)[NH+]=C1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230898	0	52	0.0	-82.25	380.85	3.76	-78.49
CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230926	0	55	0.0	-80.36	370.18	4.93	-75.43
CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230926	1	55	0.0	-81.77	361.14	4.62	-77.15
CN(C(=O)CC(O)C[NH+](C)C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230947	0	55	0.0	-86.88	386.51	2.51	-84.37
C=CCC(C(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030230969	0	55	0.0	-79.78	365.73	4.68	-75.10
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)CSCC[NH+](C)C	REAL300030231039	0	55	0.0	-70.45	401.95	5.52	-64.93
C=CCC1(NC(=O)C2CCC[N@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030231203	0	52	0.0	-65.71	387.91	4.37	-61.34
C=CCC1(NC(=O)C2CCC[N@@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030231203	1	52	0.0	-66.19	386.74	4.55	-61.64
C=CCC1(NC(=O)C2CCC[N@H+]2C(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030231379	0	58	0.0	-66.49	400.37	4.74	-61.75
C=CCC1(NC(=O)C2CCC[N@@H+]2C(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030231379	1	58	0.0	-65.76	404.14	4.72	-61.04
C=CCC1(NC(=O)CN2C=C[NH+]=C2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030231408	1	50	0.0	-66.19	392.07	5.11	-61.08
C=CCC1(NC(=O)C2C[NH+]3CCC2CC3)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030231434	0	56	0.0	-73.75	401.66	5.33	-68.42
C=CCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030231464	0	55	0.0	-68.73	394.78	4.34	-64.39
C=CCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030231464	1	55	0.0	-68.40	399.46	4.65	-63.75
C=CCC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030231466	0	58	0.0	-69.15	418.17	5.08	-64.07
C=CCC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030231466	1	58	0.0	-67.35	422.84	5.73	-61.62
C=CCC1(NC(=O)C2C[N@H+](CC)CCO2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030231472	1	56	0.0	-79.35	417.85	4.58	-74.77
C=CCC1(NC(=O)C2C[N@@H+](CC)CCO2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030231472	1	56	0.0	-74.36	417.80	4.37	-69.99
C=CCC1(NC(=O)C(F)C[NH+](CC)CC)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030231494	0	57	0.0	-68.52	426.13	5.55	-62.97
C=CCC1(NC(=O)C[NH+]2C(C)CCC2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030231523	0	58	0.0	-67.56	416.00	5.41	-62.15
C=CCC1(NC(=O)CCC[NH+]2CCCC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030231526	0	58	0.0	-69.55	432.53	6.11	-63.44
C=CCC1(NC(=O)CC[NH+]2CCCCC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030231528	0	58	0.0	-70.10	426.70	6.00	-64.10
C=CCC1(NC(=O)C[N@@H+](C)C2CCC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030231566	0	55	0.0	-67.79	408.87	5.47	-62.32
C=CCC1(NC(=O)C[N@H+](C)C2CCC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030231566	1	55	0.0	-67.37	408.77	5.47	-61.90
C=CCC1(NC(=O)CCC2CCC[N@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030231638	0	58	0.0	-70.12	429.90	5.96	-64.16
C=CCC1(NC(=O)CCC2CCC[N@@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030231638	1	58	0.0	-70.97	426.27	5.80	-65.17
C=CCC1(NC(=O)C2CC[NH+](C)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030231655	0	55	0.0	-72.34	407.74	5.28	-67.06
C=CCC1(NC(=O)C2=CN3C=[NH+]C=C3C=C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030231740	0	50	0.0	-68.70	393.20	7.15	-61.55
C=CCC1(NC(=O)CC[NH+]2CCOCC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030231747	1	56	0.0	-72.89	418.15	3.61	-69.28
C=CCC1(NC(=O)CN2C=[NH+]C=C2C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030231758	1	50	0.0	-66.91	392.40	5.84	-61.07
C=CCC1(NC(=O)CC2CC[N@@H+](C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030231785	0	55	0.0	-70.34	408.60	5.03	-65.31
C=CCC1(NC(=O)CC2CC[N@H+](C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030231785	1	55	0.0	-69.67	409.06	5.23	-64.44
C=CCC1(NC(=O)C(CC)[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030231792	0	54	0.0	-69.27	391.71	4.61	-64.66
C=CCC1(NC(=O)C2=CC3=C[NH+]=CN3C=C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030231812	1	50	0.0	-72.08	393.32	7.14	-64.94
C=CCC1(NC(=O)CCCC[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030231841	0	57	0.0	-70.31	428.24	5.75	-64.56
C=CCC1(NC(=O)CC[N@@H+](C)CCC)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030231854	0	57	0.0	-71.32	424.30	5.53	-65.79
C=CCC1(NC(=O)CC[N@H+](C)CCC)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030231854	1	57	0.0	-71.47	424.29	5.54	-65.93
C=CCC1(NC(=O)C[N@@H+](C)CCC)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030231857	0	54	0.0	-69.60	402.11	5.03	-64.57
C=CCC1(NC(=O)C[N@H+](C)CCC)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030231857	1	54	0.0	-69.46	401.89	4.91	-64.55
C=CCC1(NC(=O)C23CC[N@H+](C2)CCC3)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030231869	0	56	0.0	-69.94	402.87	4.65	-65.29
C=CCC1(NC(=O)C23CC[N@@H+](C2)CCC3)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030231869	1	56	0.0	-69.06	404.85	4.82	-64.24
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C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC[N@H+](CC)C2)CC1	REAL300030234875	1	58	0.0	-70.84	418.92	5.82	-65.02
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2=CC=C[NH+]=C2N)CC1	REAL300030234879	0	51	0.0	-70.89	399.98	3.59	-67.30
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1	REAL300030234887	0	56	0.0	-61.30	417.08	5.68	-55.62
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC[N@H+]2C2CC2)CC1	REAL300030234887	1	56	0.0	-71.52	413.33	5.46	-66.06
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C=CC[NH+]2CCCC2)CC1	REAL300030234917	0	56	0.0	-81.24	426.61	6.11	-75.13
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+](C)CC)CC1	REAL300030234962	0	51	0.0	-76.30	383.47	4.42	-71.88
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CN2CC3C=CC2C3)CC1	REAL300030234997	0	54	0.0	-71.41	404.64	5.62	-65.79
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+]2CC3C=CC2C3)CC1	REAL300030234997	1	54	0.0	-65.47	405.12	5.73	-59.74
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+]2CC3C=CC2C3)CC1	REAL300030234997	1	54	0.0	-65.47	405.12	5.73	-59.74
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(C)OCC[NH+](C)C)CC1	REAL300030235084	0	58	0.0	-76.24	436.97	5.30	-70.94
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCOCC[NH+](C)C)CC1	REAL300030235091	0	58	0.0	-76.68	442.20	4.47	-72.21
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CN(C)CCOC)CC1	REAL300030235093	0	55	0.0	-75.65	415.79	3.57	-72.08
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+](C)CCOC)CC1	REAL300030235093	1	55	0.0	-78.01	415.70	3.48	-74.53
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+](C)CCOC)CC1	REAL300030235093	1	55	0.0	-78.01	415.70	3.48	-74.53
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCC(C)[NH+](C)C)CC1	REAL300030235096	0	57	0.0	-76.67	422.96	5.52	-71.15
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+](CC)C2CC2)CC1	REAL300030235112	0	55	0.0	-64.75	407.15	5.65	-59.10
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C23CC(C2)C[N@H+]3C)CC1	REAL300030235139	0	53	0.0	-78.72	392.83	4.68	-74.04
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+]2CC3CCC2C3)CC1	REAL300030235148	0	56	0.0	-74.44	412.47	5.84	-68.60
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+]2CC3CCC2C3)CC1	REAL300030235148	1	56	0.0	-74.44	412.47	5.84	-68.60
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(C)C[NH+](C)C)CC1	REAL300030235163	0	54	0.0	-79.08	400.09	4.65	-74.43
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC[N@H+]2CC)CC1	REAL300030235200	0	52	0.0	-63.42	387.60	4.19	-59.23
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(C)[NH2+]C(C)(C)CC)CC1	REAL300030235211	0	60	0.0	-73.52	430.12	4.20	-69.32
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C(C)N=C2NC)CC1	REAL300030235238	0	54	0.0	-66.77	418.79	4.38	-62.39
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C(C)[NH+]=C2NC)CC1	REAL300030235238	1	54	0.0	-66.77	418.79	4.38	-62.39
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(CCC)[NH+](C)C)CC1	REAL300030235247	0	57	0.0	-76.49	417.28	5.49	-71.00
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(C)(C)[NH+](C)C)CC1	REAL300030235252	0	54	0.0	-74.78	385.53	4.13	-70.65
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(C)CC[NH+](C)C)CC1	REAL300030235266	0	57	0.0	-77.64	425.85	5.53	-72.11
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC(C)(C)C[N@H+]2C)CC1	REAL300030235328	0	58	0.0	-67.58	425.60	5.43	-62.15
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC(C)(C)C[N@@H+]2C)CC1	REAL300030235328	1	58	0.0	-67.58	425.60	5.43	-62.15
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCCCC[NH+](C)C)CC1	REAL300030235330	0	60	0.0	-77.50	452.23	6.59	-70.91
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CN2CCN(C)CC2)CC1	REAL300030235337	0	57	0.0	-68.70	424.42	3.16	-65.54
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CN2CC[NH+](C)CC2)CC1	REAL300030235337	1	57	0.0	-68.70	424.42	3.16	-65.54
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CN(C)CC(C)O2)CC1	REAL300030235390	0	56	0.0	-68.68	413.76	4.69	-63.99
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2C[N@@H+](C)CC(C)O2)CC1	REAL300030235390	1	56	0.0	-70.60	413.27	4.29	-66.31
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2C[N@H+](C)CC(C)O2)CC1	REAL300030235390	1	56	0.0	-70.60	413.27	4.29	-66.31
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+]2CC3CC3C2)CC1	REAL300030235421	0	53	0.0	-76.70	401.21	5.63	-71.07
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCCC[N@H+]2C)CC1	REAL300030235448	0	55	0.0	-70.00	399.26	5.03	-64.97
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C=C2CC[N@@H+](C)C2)CC1	REAL300030235522	0	53	0.0	-70.38	404.48	5.39	-64.99
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C=C2CC[N@H+](C)C2)CC1	REAL300030235522	1	53	0.0	-70.38	404.48	5.39	-64.99
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CNC2=CC=[NH+]C=C2)CC1	REAL300030235525	0	51	0.0	-67.44	401.12	2.93	-64.51
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2([NH+](C)C)CCCC2)CC1	REAL300030235588	0	58	0.0	-77.05	405.33	5.29	-71.76
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	REAL300030235607	0	52	0.0	-76.41	383.69	4.17	-72.24
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	REAL300030235607	1	52	0.0	-76.41	383.69	4.17	-72.24
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)CC1	REAL300030235702	0	55	0.0	-76.59	415.39	5.49	-71.10
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2(CC[NH+](C)C)CC2)CC1	REAL300030235711	0	58	0.0	-73.16	438.12	6.03	-67.13
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2CC=CC[N@H+]2C)CC1	REAL300030235712	0	56	0.0	-67.32	412.04	5.80	-61.52
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2CC=CC[N@@H+]2C)CC1	REAL300030235712	1	56	0.0	-67.32	412.04	5.80	-61.52
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)COCC[NH+](C)C)CC1	REAL300030235748	0	55	0.0	-74.96	421.63	4.87	-70.09
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CN2C=CSC2=[NH2+])CC1	REAL300030235776	0	48	0.0	-72.81	392.81	3.92	-68.89
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@@H](C)OCC[NH+](C)C)CC1	REAL300030235818	0	58	0.0	-69.26	437.38	5.25	-64.01
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+]2CCCCC2)CC1	REAL300030235847	0	55	0.0	-76.10	407.10	5.51	-70.59
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC[N@@H+](C)C2)CC1	REAL300030235848	0	55	0.0	-76.33	409.73	5.24	-71.09
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC[N@H+](C)C2)CC1	REAL300030235848	1	55	0.0	-70.44	401.18	5.18	-65.26
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+]2CCCCCC2)CC1	REAL300030235849	0	58	0.0	-76.02	416.52	5.68	-70.34
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N+]2=CN(C)C=C2)CC1	REAL300030235853	0	50	0.0	-74.37	396.60	7.15	-67.22
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+]2CCC(O)CC2)CC1	REAL300030235876	0	56	0.0	-80.77	418.58	2.26	-78.51
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+](C)C2CC2)CC1	REAL300030235878	0	52	0.0	-72.91	394.65	5.04	-67.87
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+](C)C2CC2)CC1	REAL300030235878	1	52	0.0	-65.41	394.82	5.07	-60.34
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC[N@H+]2CCC(F)C2)CC1	REAL300030235881	0	55	0.0	-79.57	419.91	5.51	-74.06
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC[N@@H+]2CCC(F)C2)CC1	REAL300030235881	1	55	0.0	-74.22	420.04	5.58	-68.64
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC(C)C[NH+](C)C)CC1	REAL300030235902	0	57	0.0	-78.97	422.94	5.80	-73.17
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2COCC[N@H+]2C)CC1	REAL300030235921	1	56	0.0	-83.27	415.86	3.52	-79.75
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2COCC[N@@H+]2C)CC1	REAL300030235921	1	56	0.0	-80.23	416.85	3.72	-76.51
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=C[NH+]=C(N)C=C2C)CC1	REAL300030235961	1	51	0.0	-63.44	396.82	3.02	-60.42
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCC2=CC=C(N)[NH+]=C2)CC1	REAL300030235962	0	54	0.0	-74.94	424.38	4.19	-70.75
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+]2CCC(C)(O)C2)CC1	REAL300030235991	0	56	0.0	-75.06	421.69	2.15	-72.91
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+]2CCC(C)(O)C2)CC1	REAL300030235991	1	56	0.0	-77.39	421.96	2.14	-75.25
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2C[NH+](C)C2)CC1	REAL300030236019	0	52	0.0	-68.93	396.69	4.53	-64.40
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+](C)C)CC1	REAL300030236030	0	48	0.0	-77.07	365.75	3.74	-73.33
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC[N@H+](C)CCO)CC1	REAL300030236049	0	55	0.0	-77.79	416.20	1.80	-75.99
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC[N@@H+](C)CCO)CC1	REAL300030236049	1	55	0.0	-78.03	416.06	1.79	-76.24
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@H](C)[NH+](C)C)CC1	REAL300030236050	0	51	0.0	-71.03	381.98	4.17	-66.86
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2CCCC[N@H+]2C)CC1	REAL300030236067	0	58	0.0	-60.84	417.18	5.79	-55.05
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2CCCC[N@@H+]2C)CC1	REAL300030236067	1	58	0.0	-76.60	425.69	6.04	-70.56
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(C)[NH+]2CC(C)C2)CC1	REAL300030236080	0	55	0.0	-66.39	414.43	5.25	-61.14
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+]2CCC2C)CC1	REAL300030236082	0	52	0.0	-66.98	396.75	4.76	-62.22
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+]2CCC2C)CC1	REAL300030236082	1	52	0.0	-73.93	392.13	4.65	-69.28
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C=CC[NH+](C)C)CC1	REAL300030236090	0	52	0.0	-82.56	401.53	4.95	-77.61
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1	REAL300030236096	1	55	0.0	-76.51	416.12	5.31	-71.20
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CSCC[NH+](C)C)CC1	REAL300030236118	0	55	0.0	-81.61	432.65	5.77	-75.84
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+]2CCCC2CO)CC1	REAL300030236137	0	56	0.0	-72.27	416.41	1.91	-70.36
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+]2CCCC2CO)CC1	REAL300030236137	1	56	0.0	-63.88	411.71	2.32	-61.56
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+](CC)CC)CC1	REAL300030236141	0	54	0.0	-74.69	396.88	4.71	-69.98
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+]2CCC2)CC1	REAL300030236150	1	49	0.0	-76.57	375.68	4.11	-72.46
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC[NH+](CC)CC)CC1	REAL300030236181	0	57	0.0	-77.87	419.07	5.34	-72.53
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(C)[NH+]2CCC2)CC1	REAL300030236240	0	52	0.0	-65.03	391.28	4.55	-60.48
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC(CC)C[NH+](C)C)CC1	REAL300030236245	0	60	0.0	-81.47	440.81	6.35	-75.12
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C=CC2=CC=C(N)[NH+]=C2)CC1	REAL300030236250	0	52	0.0	-69.27	412.07	3.98	-65.29
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(C)(C)C[NH+](C)C)CC1	REAL300030236251	0	57	0.0	-72.01	398.01	5.14	-66.87
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1	REAL300030236288	0	55	0.0	-72.79	398.07	4.87	-67.92
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1	REAL300030236288	1	55	0.0	-71.02	406.17	5.32	-65.70
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC(O)C[NH+](C)C)CC1	REAL300030236312	0	55	0.0	-82.21	417.72	2.68	-79.53
C=CCC(C(=O)N1CCC(CC=C)(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030236334	0	55	0.0	-73.62	409.09	5.25	-68.37
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2(C)CC[NH+](C)CC2)CC1	REAL300030236347	0	58	0.0	-71.63	413.51	5.23	-66.40
C=CCC1(NC(=O)CSCC[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030236405	0	55	0.0	-74.46	429.59	5.50	-68.96
C[N@@H+]1CCCC1C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030236564	0	51	0.0	-75.54	388.88	3.34	-72.20
C[N@H+]1CCCC1C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030236564	1	51	0.0	-73.75	387.73	3.33	-70.42
C[N@@H+]1CCOC(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030236588	1	52	0.0	-89.35	406.55	3.24	-86.11
C[N@H+]1CCOC(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030236588	1	52	0.0	-86.97	405.08	3.22	-83.75
CC(C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300030236749	0	60	0.0	-71.37	437.81	5.24	-66.13
CC(C)[N@@H+]1CCCCC1C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030236751	0	60	0.0	-68.98	440.97	5.29	-63.69
CC(C)[N@H+]1CCCCC1C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030236751	1	60	0.0	-69.76	434.63	5.35	-64.41
CC(C)[N@@H+]1CCCC1C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030236772	0	57	0.0	-74.05	421.78	5.12	-68.93
CC(C)[N@H+]1CCCC1C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030236772	1	57	0.0	-70.82	426.55	4.91	-65.91
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@@H+]2C1	REAL300030236788	0	58	0.0	-78.19	436.56	5.46	-72.73
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@H+]2C1	REAL300030236788	1	58	0.0	-73.39	435.04	5.52	-67.87
CC(C)C1=[NH+]C=CN1CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030236809	1	55	0.0	-71.15	434.89	5.52	-65.63
CC1=[NH+]C=CN1CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030236839	1	49	0.0	-72.58	398.57	4.40	-68.18
CC(C[NH+]1CCOCC1)C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030236840	0	58	0.0	-78.21	440.19	3.50	-74.71
O=C(CCC[NH+]1CCCCC1)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030236856	0	60	0.0	-77.67	454.64	6.02	-71.65
CC(C)(C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300030236874	0	60	0.0	-76.29	438.47	5.78	-70.51
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCC1CC2	REAL300030236882	0	55	0.0	-83.91	410.34	4.58	-79.33
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCCC2CCC[N@@H+]21	REAL300030236923	0	58	0.0	-71.82	424.56	5.35	-66.47
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCCC2CCC[N@H+]21	REAL300030236923	1	58	0.0	-68.27	432.36	5.62	-62.65
C[C@@H]1[C@H](C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030236937	0	54	0.0	-79.63	405.29	3.75	-75.88
C[C@@H]1[C@H](C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030236937	1	54	0.0	-76.91	410.84	4.53	-72.38
CC[C@@H]1[C@@H](C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030236941	0	57	0.0	-77.41	425.68	4.48	-72.93
CC[C@@H]1[C@@H](C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030236941	1	57	0.0	-77.88	431.47	4.88	-73.00
CC[N@@H+]1CCOC(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030236951	1	55	0.0	-76.49	417.19	3.74	-72.75
CC[N@H+]1CCOC(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030236951	1	55	0.0	-85.78	424.26	3.88	-81.90
CC[NH+](CC)CC(F)C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030236992	0	56	0.0	-79.61	427.02	4.42	-75.19
CC1CCC(C)[NH+]1CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030237055	0	57	0.0	-72.20	427.90	4.82	-67.38
O=C(CCC[NH+]1CCCC1)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030237061	0	57	0.0	-77.30	437.94	5.26	-72.04
C#CC[NH+]1CCC(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030237066	0	56	0.0	-82.29	438.35	5.60	-76.69
O=C(CC[NH+]1CCCCC1)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030237067	0	57	0.0	-77.02	433.14	5.22	-71.80
CC[N@@H+]1CCCCC1C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030237073	0	57	0.0	-71.95	418.06	4.88	-67.07
CC[N@H+]1CCCCC1C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030237073	1	57	0.0	-71.70	427.57	5.01	-66.69
CC(C)C[N@@H+]1CCC(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030237087	0	60	0.0	-76.85	454.98	5.79	-71.06
CC(C)C[N@H+]1CCC(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030237087	1	60	0.0	-75.39	453.37	5.78	-69.61
C[NH+](C)C1(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300030237091	0	54	0.0	-70.91	401.22	4.40	-66.51
CC(C)[N@@H+]1CCCC1CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030237093	0	60	0.0	-69.07	438.38	5.29	-63.78
CC(C)[N@H+]1CCCC1CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030237093	1	60	0.0	-74.70	447.28	5.38	-69.32
CC(C)[C@@H](C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030237106	0	56	0.0	-72.72	416.91	5.11	-67.61
C[N@H+](CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030237147	0	54	0.0	-73.10	415.24	4.77	-68.33
C[N@@H+](CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030237147	1	54	0.0	-72.84	415.37	4.76	-68.08
CC(C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300030237206	0	60	0.0	-70.70	430.89	4.67	-66.03
C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030237265	1	53	0.0	-72.13	414.38	4.57	-67.56
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030237265	1	53	0.0	-72.54	420.27	5.07	-67.47
C[N@@H+]1CCCC1CCC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030237271	0	57	0.0	-79.77	436.45	5.29	-74.48
C[N@H+]1CCCC1CCC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030237271	1	57	0.0	-76.21	430.28	4.80	-71.41
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+](CCC1)C2	REAL300030237280	0	58	0.0	-76.82	426.53	4.99	-71.83
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC2CCCC[N@@H+]21	REAL300030237283	0	58	0.0	-71.43	428.55	5.26	-66.17
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC2CCCC[N@H+]21	REAL300030237283	1	58	0.0	-70.01	435.61	5.72	-64.29
O=C(CCCC[NH+]1CCCC1)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030237299	0	60	0.0	-78.31	460.47	6.11	-72.20
C[NH+]1CCC(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030237310	0	54	0.0	-81.14	413.73	4.45	-76.69
C[NH+](C)CC1=CC(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=NO1	REAL300030237345	1	53	0.0	-84.22	427.20	3.76	-80.46
CC1=C(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300030237346	0	52	0.0	-76.79	412.79	6.63	-70.16
C[N@@H+]1CCCCC1C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030237377	0	54	0.0	-73.30	400.34	4.24	-69.06
C[N@H+]1CCCCC1C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030237377	1	54	0.0	-72.68	400.31	4.20	-68.48
CC(C)C[N@@H+]1CCCC1C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030237399	0	60	0.0	-74.40	443.22	6.02	-68.38
CC(C)C[N@H+]1CCCC1C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030237399	1	60	0.0	-72.65	453.66	5.98	-66.67
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CN2C=[NH+]C=C2C=C1	REAL300030237499	0	49	0.0	-77.81	399.18	6.26	-71.55
CC1=[NH+]C=CN1CCCC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030237507	1	55	0.0	-74.93	440.15	5.68	-69.25
O=C(CC[NH+]1CCOCC1)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030237512	1	55	0.0	-80.45	424.41	2.80	-77.65
CC1=C[NH+]=CN1CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030237542	1	49	0.0	-74.54	398.91	5.13	-69.41
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+]1CCC2	REAL300030237581	0	55	0.0	-79.10	413.90	4.78	-74.32
C[NH+](C)C1CCCC(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030237605	0	60	0.0	-76.17	447.96	5.64	-70.53
C[N@@H+]1CCC(CC(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030237608	0	54	0.0	-78.91	415.80	4.39	-74.52
C[N@H+]1CCC(CC(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030237608	1	54	0.0	-78.64	416.25	4.38	-74.26
CN(C)C1=CC=[NH+]C=C1C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030237620	0	53	0.0	-85.39	420.02	3.58	-81.81
CCC(C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030237625	0	53	0.0	-71.36	397.25	3.91	-67.45
C[NH+](C)C1(CC(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300030237637	0	60	0.0	-79.18	432.01	5.24	-73.94
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC2=C[NH+]=CN2C=C1	REAL300030237678	1	49	0.0	-83.28	399.57	6.31	-76.97
C[NH+](C)CCCCC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030237732	0	56	0.0	-79.77	434.50	4.93	-74.84
CC(C)C(C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030237752	0	56	0.0	-72.46	412.17	4.30	-68.16
CCC[N@H+](C)CCC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030237754	0	56	0.0	-78.50	430.74	4.73	-73.77
CCC[N@@H+](C)CCC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030237754	1	56	0.0	-78.60	430.74	4.74	-73.86
CCC[N@H+](C)CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030237759	0	53	0.0	-75.38	408.37	4.20	-71.18
CCC[N@@H+](C)CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030237759	1	53	0.0	-75.27	408.37	4.19	-71.08
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C12CC[N@H+](C1)CCC2	REAL300030237782	0	55	0.0	-77.83	409.56	4.02	-73.81
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C12CC[N@@H+](C1)CCC2	REAL300030237782	1	55	0.0	-84.25	408.61	4.12	-80.13
C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030237818	0	51	0.0	-75.78	388.72	3.30	-72.48
C[N@H+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030237818	1	51	0.0	-72.44	394.94	3.83	-68.61
CCCCCC[N@H+](C)CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030237875	0	62	0.0	-76.53	472.87	6.55	-69.98
CCCCCC[N@@H+](C)CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030237875	1	62	0.0	-76.52	472.87	6.54	-69.98
CC[NH+](CC)C(C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300030237879	0	62	0.0	-67.70	447.81	6.08	-61.62
CC[NH+](CC)CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030237888	0	53	0.0	-73.36	403.14	4.13	-69.23
CCC[N@@H+]1CCCC(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030237920	0	60	0.0	-76.04	452.88	5.81	-70.23
CCC[N@H+]1CCCC(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030237920	1	60	0.0	-75.74	452.88	5.81	-69.93
CC(C)[N@@H+]1CCOC(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030237935	0	58	0.0	-74.75	434.02	4.26	-70.49
CC(C)[N@H+]1CCOC(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030237935	1	58	0.0	-83.49	441.06	4.41	-79.08
CC1CC[NH+](CC(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030237964	0	57	0.0	-75.66	431.71	5.27	-70.39
C[NH+]1CCC(OCC(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030237990	0	58	0.0	-83.98	449.10	4.88	-79.10
C[NH+](C)CC1(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030238001	0	54	0.0	-81.30	415.26	4.41	-76.89
CC(C)[NH+]1CCC(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030238074	0	60	0.0	-79.56	448.03	5.64	-73.92
C[NH+]1CCC(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030238092	0	54	0.0	-81.14	413.73	4.45	-76.69
CC(C)[C@H](C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030238110	0	56	0.0	-73.17	414.64	4.34	-68.83
CCC(C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300030238141	0	59	0.0	-68.50	434.65	5.15	-63.35
CC[N@H+](C)CCC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030238197	0	53	0.0	-77.80	409.24	4.00	-73.80
CC[N@@H+](C)CCC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030238197	1	53	0.0	-77.77	409.24	4.01	-73.76
CC1CCC[N@@H+]1CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030238253	0	54	0.0	-72.52	414.09	4.47	-68.05
CC1CCC[N@H+]1CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030238253	1	54	0.0	-71.91	407.73	4.16	-67.75
CC1CC[N@H+](CC(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030238255	0	54	0.0	-74.23	415.26	4.41	-69.82
CC1CC[N@@H+](CC(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030238255	1	54	0.0	-74.16	413.09	4.47	-69.69
CC1(C)CC[N@H+](CC(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030238259	0	57	0.0	-74.33	432.76	5.04	-69.29
CC1(C)CC[N@@H+](CC(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030238259	1	57	0.0	-74.39	434.00	5.03	-69.36
C[N@H+](CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030238260	0	59	0.0	-75.41	438.81	5.25	-70.16
C[N@@H+](CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030238260	1	59	0.0	-74.86	439.41	5.34	-69.52
CC[C@@H](C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030238268	0	53	0.0	-71.30	399.28	3.84	-67.46
C[NH+]1CCC(O)(CC(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030238425	0	58	0.0	-74.90	436.77	3.18	-71.72
C[NH+](C)CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030238437	0	47	0.0	-75.70	369.14	2.79	-72.91
O=C(C[NH+]1CCC(CO)CC1)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030238441	0	58	0.0	-76.97	442.62	1.95	-75.02
O=C(C[NH+]1CCCCCC1)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030238442	0	57	0.0	-74.57	420.11	4.83	-69.74
CN1C=C[N+](CC(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300030238446	0	49	0.0	-73.76	400.37	6.30	-67.46
C[N@@H+]1CCCC(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030238453	0	54	0.0	-69.43	407.47	4.61	-64.82
C[N@H+]1CCCC(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030238453	1	54	0.0	-68.48	407.41	4.61	-63.87
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@@H+]1C1CC1	REAL300030238458	0	55	0.0	-70.70	426.57	5.32	-65.38
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@H+]1C1CC1	REAL300030238458	1	55	0.0	-70.37	420.18	5.18	-65.19
CC(C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030238485	1	51	0.0	-74.54	398.93	3.73	-70.81
CCC(CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030238490	0	59	0.0	-79.09	439.91	5.40	-73.69
C[NH+](C)CC(C)(C)C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030238497	0	56	0.0	-72.65	416.51	4.46	-68.19
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C12CC(C1)C[N@@H+]2C1CC1	REAL300030238514	0	56	0.0	-76.17	424.90	5.40	-70.77
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C12CC(C1)C[N@H+]2C1CC1	REAL300030238514	1	56	0.0	-77.39	424.81	6.10	-71.29
O=C(C[NH+]1CCC(O)CC1)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030238522	1	55	0.0	-79.13	421.96	1.31	-77.82
C[N@H+](CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030238523	0	51	0.0	-72.90	398.56	4.19	-68.71
C[N@@H+](CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030238523	1	51	0.0	-72.75	398.55	4.20	-68.55
CC(C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300030238524	1	59	0.0	-75.32	440.07	2.61	-72.71
C[NH+]1CC(CC(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030238542	0	51	0.0	-77.03	400.43	3.61	-73.42
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@@H+]1C1CCCC1	REAL300030238546	0	58	0.0	-74.12	433.68	5.30	-68.82
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@H+]1C1CCCC1	REAL300030238546	1	58	0.0	-73.96	434.27	5.20	-68.76
CC(C)(C)[N@@H+]1CCC1C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030238554	0	57	0.0	-72.61	430.29	4.47	-68.14
CC(C)(C)[N@H+]1CCC1C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030238554	1	57	0.0	-72.30	430.38	4.51	-67.79
C[C@@H](C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030238565	0	50	0.0	-73.47	387.13	3.21	-70.26
CCC1CCC[N@H+](CC(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030238604	0	60	0.0	-75.49	450.12	5.91	-69.58
CCC1CCC[N@@H+](CC(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030238604	1	60	0.0	-73.76	441.21	5.45	-68.31
C[NH+](C)CC1=CC=C(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)N1	REAL300030238611	0	55	0.0	-89.57	435.58	4.19	-85.38
[NH2+]=C1SC=CN1CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030238652	0	47	0.0	-72.20	396.21	2.97	-69.23
C[N@H+](CCO)CCC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030238662	0	54	0.0	-77.73	419.59	0.78	-76.95
C[N@@H+](CCO)CCC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030238662	1	54	0.0	-77.10	419.30	0.76	-76.34
C[C@@H](C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030238663	0	50	0.0	-73.47	387.13	3.21	-70.26
C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030238667	0	54	0.0	-73.62	400.42	4.21	-69.41
C[N@H+]1CCCC[C@@H]1C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030238667	1	54	0.0	-72.65	410.84	4.39	-68.26
CC1CN2CC[N@@H+]1CC2C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030238675	0	57	0.0	-78.90	420.39	1.79	-77.11
CC1CN2CC[N@H+]1CC2C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030238675	1	57	0.0	-82.89	420.62	1.78	-81.11
O=C(CC1=CC2=C[NH+]=CN2C=C1)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030238717	0	52	0.0	-75.35	423.55	6.97	-68.38
C[N@H+](CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300030238740	0	55	0.0	-80.70	428.63	5.02	-75.68
C[N@@H+](CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300030238740	1	55	0.0	-79.32	428.40	5.03	-74.29
O=C(C[NH+]1CCC1)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030238741	1	48	0.0	-75.89	379.30	3.25	-72.64
C[N@@H+]1CCC(=CC(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030238771	0	52	0.0	-80.42	406.98	4.35	-76.07
C[N@H+]1CCC(=CC(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030238771	1	52	0.0	-80.34	408.00	4.34	-76.00
C[NH+](C)CCOCC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030238804	0	54	0.0	-77.13	424.82	3.84	-73.29
CCCCC[N@H+](C)CCC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030238810	0	62	0.0	-79.37	473.74	6.30	-73.07
CCCCC[N@@H+](C)CCC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030238810	1	62	0.0	-79.50	473.73	6.31	-73.19
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030238819	0	58	0.0	-77.86	446.60	4.73	-73.13
C=CCC(C)(C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030238826	0	57	0.0	-68.43	423.28	4.81	-63.62
C[S+](C)CCC(O)C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030238831	0	53	0.0	-84.71	433.99	2.45	-82.26
C[N@@H+]1CC(O)CC1(C)C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030238856	0	55	0.0	-81.15	417.35	1.09	-80.06
C[N@H+]1CC(O)CC1(C)C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030238856	1	55	0.0	-80.88	416.40	1.22	-79.66
CN1CC[N@H+](C)CC(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030238866	0	59	0.0	-73.90	439.53	2.95	-70.95
CN1CC[N@@H+](C)CC(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030238866	1	59	0.0	-74.28	440.24	2.55	-71.73
CC(C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300030238867	0	58	0.0	-74.62	438.75	1.73	-72.89
CC(C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[N@H+]1CCCC(O)C1	REAL300030238867	1	58	0.0	-74.13	437.78	1.90	-72.23
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1C[NH+](C2CCOC2)C1	REAL300030238870	0	56	0.0	-83.91	435.68	3.14	-80.77
O=C(C[NH+]1CCC(CO)CC1)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030238876	0	58	0.0	-76.97	442.62	1.95	-75.02
C[N@@H+]1CCCC(O)(CC(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030238885	0	58	0.0	-75.86	436.59	3.23	-72.63
C[N@H+]1CCCC(O)(CC(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030238885	1	58	0.0	-76.52	425.75	3.04	-73.48
CC1C[NH+](CC(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030238888	1	51	0.0	-76.26	399.07	3.92	-72.34
C[N@H+](CCO)CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030238914	1	51	0.0	-75.83	397.22	0.21	-75.62
C[N@@H+](CCO)CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030238914	1	51	0.0	-75.90	397.15	0.24	-75.66
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1C[N@@H+]2CCN1CCC2	REAL300030238936	0	57	0.0	-84.04	417.26	2.10	-81.94
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1C[N@H+]2CCN1CCC2	REAL300030238936	1	57	0.0	-81.56	418.78	2.58	-78.98
CC[N@@H+]1CCCC(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030238942	0	57	0.0	-75.41	431.41	5.07	-70.34
CC[N@H+]1CCCC(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030238942	1	57	0.0	-68.17	423.70	5.26	-62.91
CC(CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030238944	0	56	0.0	-78.52	426.33	4.79	-73.73
CC[N@H+](C)CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030238955	0	50	0.0	-75.03	386.88	3.46	-71.57
CC[N@@H+](C)CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030238955	1	50	0.0	-74.97	386.87	3.46	-71.51
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C12CCC[N@@H+]1CCCC2	REAL300030238979	0	58	0.0	-71.04	422.60	5.39	-65.65
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C12CCC[N@H+]1CCCC2	REAL300030238979	1	58	0.0	-71.26	423.29	5.31	-65.95
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C12CCC[N@@H+]1CC=CC2	REAL300030238984	0	56	0.0	-71.71	415.10	5.54	-66.17
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C12CCC[N@H+]1CC=CC2	REAL300030238984	1	56	0.0	-77.24	414.64	5.67	-71.57
CC[N@H+](CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030239004	0	54	0.0	-72.56	414.88	4.81	-67.75
CC[N@@H+](CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030239004	1	54	0.0	-72.59	413.29	4.80	-67.79
CC[NH+](CC)CCC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239020	0	56	0.0	-77.24	421.91	4.40	-72.84
C[NH+]1CCC(=CC(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030239031	0	55	0.0	-78.26	422.44	5.09	-73.17
CC1(C)C[NH+](CC(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030239043	1	54	0.0	-75.85	419.72	4.40	-71.45
CC1(O)CC[N@H+](CC(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030239068	0	55	0.0	-76.23	425.62	1.21	-75.02
CC1(O)CC[N@@H+](CC(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030239068	1	55	0.0	-75.46	424.26	1.21	-74.25
C[NH+](C)CC=CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239075	0	51	0.0	-80.86	405.11	4.00	-76.86
CC(OCC[NH+](C)C)C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239096	0	57	0.0	-77.53	444.80	4.54	-72.99
C[NH+](C)CCOCCC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239104	0	57	0.0	-77.14	445.83	3.61	-73.53
COCC[N@H+](C)CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239105	1	54	0.0	-75.81	419.40	2.64	-73.17
COCC[N@@H+](C)CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239105	1	54	0.0	-76.03	419.48	2.62	-73.41
C[NH+](C)C1(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300030239138	0	57	0.0	-78.20	420.63	5.34	-72.86
CC(CCC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030239141	0	56	0.0	-80.41	422.43	4.50	-75.91
CC[N@@H+]1CCC1C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239148	1	51	0.0	-73.63	393.68	3.48	-70.15
CC[N@H+]1CCC1C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239148	1	51	0.0	-74.85	400.71	3.82	-71.03
CC(C)[N@@H+]1CCCC(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030239158	0	60	0.0	-68.78	441.73	5.77	-63.01
CC(C)[N@H+]1CCCC(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030239158	1	60	0.0	-67.67	441.79	5.78	-61.89
O=C(C[N@H+]1CCCC1CO)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239171	0	55	0.0	-74.81	422.18	1.35	-73.46
O=C(C[N@@H+]1CCCC1CO)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239171	1	55	0.0	-74.89	422.11	1.35	-73.54
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@@H+]2C1	REAL300030239193	0	58	0.0	-78.19	436.56	5.46	-72.73
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@H+]2C1	REAL300030239193	1	58	0.0	-73.39	435.04	5.52	-67.87
C[NH+]1CCC(C)(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030239199	0	57	0.0	-76.55	426.39	4.86	-71.69
C[NH+](C)CC1=CNC(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300030239205	0	55	0.0	-83.03	435.39	4.09	-78.94
CC(C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300030239219	0	58	0.0	-77.14	439.99	1.70	-75.44
C=CCC(C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030239227	0	54	0.0	-70.71	412.64	4.32	-66.39
C[N@@H+]1CC(C)(C)CC1C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239237	0	57	0.0	-71.08	433.70	4.92	-66.16
C[N@H+]1CC(C)(C)CC1C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239237	1	57	0.0	-72.63	433.52	5.01	-67.62
C[NH+](C)CCCCCC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239241	0	59	0.0	-79.15	456.00	5.71	-73.44
O=C(C[NH+]1CC2CC2C1)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239249	0	52	0.0	-75.41	404.47	4.66	-70.75
CC1C[N@@H+]2CCN1C(C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030239275	0	57	0.0	-85.51	422.19	1.77	-83.74
CC1C[N@H+]2CCN1C(C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030239275	1	57	0.0	-85.04	420.83	1.84	-83.20
CCCC(C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030239276	0	56	0.0	-72.23	420.43	4.58	-67.65
C[NH+](C)C(C)(C)C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239280	0	53	0.0	-80.46	396.36	3.89	-76.57
C[N@@H+]1CCCCC1C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239318	0	54	0.0	-73.30	400.34	4.24	-69.06
C[N@H+]1CCCCC1C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239318	1	54	0.0	-72.68	400.31	4.20	-68.48
C[N@H+]1CC=C(CC(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030239351	0	55	0.0	-75.15	428.25	5.12	-70.03
C[N@@H+]1CC=C(CC(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030239351	1	55	0.0	-73.26	428.22	5.12	-68.14
O=C(CC1([NH+]2CCCC2)CC1)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239360	0	58	0.0	-73.69	435.23	5.54	-68.15
C[NH+](C)CC1=CC=C(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030239404	1	54	0.0	-86.07	433.71	4.60	-81.47
O=C(C=CC[NH+]1CCCC1)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239420	0	55	0.0	-79.59	430.86	5.19	-74.40
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC[NH+](C2CC2)CC1	REAL300030239441	0	58	0.0	-79.11	437.19	5.66	-73.45
C[NH+](C)C1(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030239460	0	51	0.0	-81.39	390.10	4.43	-76.96
O=C(CC[NH+]1CCCC1)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239462	0	54	0.0	-77.19	417.47	4.51	-72.68
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCN1CC2	REAL300030239496	0	54	0.0	-85.03	404.35	1.27	-83.76
C[N@@H+]1CC2CC1(C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030239506	0	52	0.0	-80.35	401.07	3.97	-76.38
C[N@H+]1CC2CC1(C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030239506	1	52	0.0	-78.37	400.13	3.86	-74.51
O=C(C[N@@H+]1CC2CCC1C2)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239518	0	55	0.0	-73.55	415.71	4.88	-68.67
O=C(C[N@H+]1CC2CCC1C2)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239518	1	55	0.0	-72.16	412.01	4.68	-67.48
O=C(C=C1C[NH+]2CCC1CC2)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239559	0	56	0.0	-71.51	425.50	5.16	-66.35
O=C(C[N@@H+]1CC2C=CC1C2)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239569	1	53	0.0	-71.58	408.72	4.68	-66.90
O=C(C[N@H+]1CC2C=CC1C2)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239569	1	53	0.0	-71.10	406.87	4.64	-66.46
CC[NH+]1CCN(CC(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030239600	0	59	0.0	-75.31	445.38	2.93	-72.38
CC(C[NH+](C)C)C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239617	0	53	0.0	-77.81	407.33	4.06	-73.75
C[N@@H+]1CCCCC1CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239687	0	57	0.0	-67.60	420.88	4.85	-62.75
C[N@H+]1CCCCC1CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239687	1	57	0.0	-78.63	427.72	4.99	-73.64
CC1=C2C=C(C(=O)NCCC[C@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030239703	1	52	0.0	-81.53	421.36	6.85	-74.68
CC(C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300030239704	0	54	0.0	-73.29	416.42	4.47	-68.82
CC1CC[N@@H+]1CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239707	1	51	0.0	-73.31	395.43	3.68	-69.63
CC1CC[N@H+]1CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239707	1	51	0.0	-72.96	393.47	3.59	-69.37
C[NH+](C)CC(O)CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239711	0	54	0.0	-81.78	420.18	1.78	-80.00
CC1C[N@H+](C)CC(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030239738	1	55	0.0	-86.92	420.95	3.96	-82.96
CC1C[N@@H+](C)CC(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030239738	1	55	0.0	-89.06	420.38	3.55	-85.51
O=C(CC[NH+]1CCC(O)CC1)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239747	0	58	0.0	-80.35	444.23	1.86	-78.49
CCC[N@@H+]1CCCCC1C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239749	0	60	0.0	-70.90	448.78	5.77	-65.13
CCC[N@H+]1CCCCC1C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239749	1	60	0.0	-71.95	439.51	5.61	-66.34
C[NH+](C)[C@H]1C[C@H](C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030239819	0	54	0.0	-76.65	418.63	4.50	-72.15
CC(CC[NH+](C)C)C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239827	0	56	0.0	-77.87	429.18	4.68	-73.19
C[N@H+](CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300030239847	0	58	0.0	-70.76	439.69	2.18	-68.58
C[N@@H+](CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300030239847	1	58	0.0	-73.88	440.06	1.99	-71.89
C#CC[N@H+]1CCCCC1C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239853	1	56	0.0	-72.70	435.03	5.58	-67.12
C#CC[N@@H+]1CCCCC1C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239853	1	56	0.0	-72.80	425.53	5.43	-67.37
C[NH+]1CCN(CC(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030239856	1	56	0.0	-76.36	428.14	2.30	-74.06
CC[NH+]1CCN(CC(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030239865	0	59	0.0	-75.31	445.38	2.93	-72.38
NC(=[NH2+])SCC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239889	0	45	0.0	-78.36	376.29	-0.34	-78.70
CC[N@@H+]1CCOCC1CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239924	0	58	0.0	-80.26	436.41	3.26	-77.00
C[NH+](C)C1CCC(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030239939	0	60	0.0	-74.53	441.43	5.48	-69.05
C[NH+](C)CCC1(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030239940	0	57	0.0	-84.61	440.62	5.36	-79.25
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030239942	0	60	0.0	-74.47	441.36	5.48	-68.99
C[N@@H+]1CC=CCC1CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239943	0	55	0.0	-69.66	415.31	4.78	-64.88
C[N@H+]1CC=CCC1CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239943	1	55	0.0	-69.66	415.31	4.78	-64.88
C[C@@H](OCC[NH+](C)C)C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239964	0	57	0.0	-75.06	444.64	4.58	-70.48
C[NH+]1C2CCC1CC(C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030239990	0	58	0.0	-74.06	411.39	5.26	-68.80
CC(C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300030240096	1	55	0.0	-76.24	428.10	4.79	-71.45
CCC1C[NH+](CC(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030240098	1	54	0.0	-76.70	421.80	4.66	-72.04
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1([NH+]2CCCC2)CCC1	REAL300030240100	0	58	0.0	-69.80	429.84	5.51	-64.29
C[N@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030240109	1	51	0.0	-74.00	388.84	3.33	-70.67
O=C(CC[N@@H+]1CCC(F)C1)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030240116	1	54	0.0	-81.64	421.80	4.55	-77.09
COC1C[N@@H+](C)C(C)(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030240124	1	58	0.0	-80.20	438.13	3.25	-76.95
O=C(CC[NH+]1CCCCCC1)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030240132	0	60	0.0	-78.94	443.16	5.41	-73.53
O=C(C[NH+]1CCCCC1)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030240134	0	54	0.0	-74.91	410.87	4.66	-70.25
CC1C(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030240144	0	54	0.0	-76.82	409.24	3.92	-72.90
CC1C(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030240144	1	54	0.0	-76.68	409.50	4.47	-72.21
C[N@@H+]1CCCCC1CCC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030240146	0	60	0.0	-81.01	443.03	5.51	-75.50
C[N@H+]1CCCCC1CCC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030240146	1	60	0.0	-75.61	449.58	5.66	-69.95
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@@H+]2CCOCC12	REAL300030240174	0	56	0.0	-81.13	427.94	3.06	-78.07
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@H+]2CCOCC12	REAL300030240174	1	56	0.0	-72.72	422.40	3.32	-69.40
CC1=[NH+]C=C2C=CC(C(=O)NCCC[C@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)=CN21	REAL300030240179	0	52	0.0	-74.45	420.62	6.04	-68.41
CN1CCOCC1CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030240193	0	55	0.0	-72.57	412.26	2.46	-70.11
C[N@@H+]1CCOCC1CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030240193	1	55	0.0	-70.64	412.27	2.47	-68.17
C[N@H+]1CCOCC1CC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030240193	1	55	0.0	-72.57	412.26	2.46	-70.11
CC1=C(C)[NH+]=C(CCC(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)N1	REAL300030240201	1	55	0.0	-71.92	439.38	4.07	-67.85
C[N@@H+]1CCCC1C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030240371	0	51	0.0	-70.24	390.37	3.37	-66.87
C[N@H+]1CCCC1C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030240371	1	51	0.0	-68.90	390.39	3.37	-65.53
CC1=[NH+]C=CN1CCCC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030240555	1	55	0.0	-69.42	442.43	5.78	-63.64
O=C(CC[NH+]1CCOCC1)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030240560	1	55	0.0	-75.27	426.95	2.94	-72.33
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC(=O)[N-]O1	REAL300030240585	1	49	0.0	-72.16	389.67	5.86	-66.30
C[NH+](C)C1CCCC(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030240631	0	60	0.0	-71.50	445.07	5.41	-66.09
C[N@@H+]1CCC(CC(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030240634	0	54	0.0	-73.99	417.25	4.52	-69.47
C[N@H+]1CCC(CC(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030240634	1	54	0.0	-74.66	418.02	4.54	-70.12
CCC(C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030240649	0	53	0.0	-67.12	397.90	3.71	-63.41
C[NH+](C)CCCCC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030240705	0	56	0.0	-74.61	437.04	5.05	-69.56
CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030240725	0	56	0.0	-73.45	432.51	4.87	-68.58
CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030240725	1	56	0.0	-73.57	433.28	4.88	-68.69
CCC[N@H+](C)CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030240729	0	53	0.0	-70.36	410.16	4.31	-66.05
CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030240729	1	53	0.0	-70.38	410.14	4.31	-66.07
O=C(NCCC[C@H]1CCCN1C(=O)C12CC[N@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300030240747	0	55	0.0	-73.48	397.55	3.51	-69.97
O=C(NCCC[C@H]1CCCN1C(=O)C12CC[N@@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300030240747	1	55	0.0	-73.41	396.38	3.55	-69.86
CCCCCC[N@H+](C)CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030240772	0	62	0.0	-71.70	474.66	6.66	-65.04
CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030240772	1	62	0.0	-71.67	474.64	6.65	-65.02
CC1CC[NH+](CC(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030240805	0	57	0.0	-70.72	434.07	5.37	-65.35
C[NH+]1CCC(OCC(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030240826	0	58	0.0	-78.91	450.85	5.01	-73.90
O=C(NCCC[C@H]1CCCN1C(=O)C1CC2CCCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300030240861	0	58	0.0	-70.09	435.35	5.43	-64.66
O=C(NCCC[C@H]1CCCN1C(=O)C1CC2CCCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300030240861	1	58	0.0	-72.45	435.22	5.44	-67.01
C[NH+](C)CC1(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030240871	0	54	0.0	-66.24	414.51	4.28	-61.96
CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030240881	0	60	0.0	-74.06	445.13	5.45	-68.61
CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030240900	0	53	0.0	-72.78	411.00	4.14	-68.64
CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030240900	1	53	0.0	-72.71	411.78	4.13	-68.58
O=C(NCCC[C@H]1CCCN1C(=O)C1C[NH+]2CCC1CC2)C1=CC(=O)[N-]O1	REAL300030240928	0	55	0.0	-78.65	408.15	4.38	-74.27
C[NH+]1CCC(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030240992	0	54	0.0	-70.86	407.29	4.13	-66.73
CC[NH+](CC)CC(F)C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030241074	0	56	0.0	-71.20	430.02	4.59	-66.61
CC(C)C[N@@H+]1CCC(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030241098	0	60	0.0	-71.57	452.56	5.68	-65.89
CC(C)C[N@H+]1CCC(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030241098	1	60	0.0	-66.08	448.70	5.59	-60.49
CCC(C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300030241123	0	59	0.0	-61.23	422.43	4.65	-56.58
CC1CCC[N@@H+]1CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030241139	0	54	0.0	-66.79	410.41	4.27	-62.52
CC1CCC[N@H+]1CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030241139	1	54	0.0	-67.54	416.68	4.57	-62.97
CC(C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300030241187	0	60	0.0	-66.62	438.81	5.25	-61.37
CC(C)[N@@H+]1CCCC1C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030241206	0	57	0.0	-68.37	421.81	5.05	-63.32
CC(C)[N@H+]1CCCC1C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030241206	1	57	0.0	-66.29	428.40	4.87	-61.42
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030241211	0	60	0.0	-62.87	440.96	5.48	-57.39
CC(C)[N@H+]1CCCC1CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030241211	1	60	0.0	-64.35	440.30	5.00	-59.35
CC1CC[N@H+](CC(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030241238	0	54	0.0	-69.33	416.35	4.59	-64.74
CC1CC[N@@H+](CC(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030241238	1	54	0.0	-69.63	416.71	4.63	-65.00
CC1(C)CC[N@H+](CC(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030241241	0	57	0.0	-69.44	435.94	5.14	-64.30
CC1(C)CC[N@@H+](CC(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030241241	1	57	0.0	-69.83	436.35	5.13	-64.70
C[N@H+](CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030241242	0	59	0.0	-70.39	438.78	5.29	-65.10
C[N@@H+](CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030241242	1	59	0.0	-70.11	440.89	5.43	-64.68
CC[C@@H](C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030241249	0	53	0.0	-63.45	391.01	3.62	-59.83
CC1=[NH+]C=CN1CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030241424	1	49	0.0	-67.04	400.82	4.48	-62.56
CC(C[NH+]1CCOCC1)C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030241425	1	58	0.0	-73.57	438.92	3.34	-70.23
O=C(CCC[NH+]1CCCCC1)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030241438	0	60	0.0	-72.41	456.45	6.17	-66.24
C[NH+](C)CC1=CC(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)=NO1	REAL300030241448	1	53	0.0	-79.88	427.23	4.05	-75.83
CC1=C(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300030241449	0	52	0.0	-68.94	415.38	6.29	-62.65
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030241481	1	55	0.0	-65.51	437.04	5.62	-59.89
O=C(NCCC[C@H]1CCCN1C(=O)C1CCCC2CCC[N@@H+]21)C1=CC(=O)[N-]O1	REAL300030241509	0	58	0.0	-65.06	418.88	5.04	-60.02
O=C(NCCC[C@H]1CCCN1C(=O)C1CCCC2CCC[N@H+]21)C1=CC(=O)[N-]O1	REAL300030241509	1	58	0.0	-59.66	425.83	5.31	-54.35
CC[N@@H+]1CCOC(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030241523	1	55	0.0	-73.26	414.23	3.54	-69.72
CC[N@H+]1CCOC(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030241523	1	55	0.0	-81.37	422.55	3.78	-77.59
O=C(NCCC[C@H]1CCCN1C(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC(=O)[N-]O1	REAL300030241561	0	49	0.0	-66.41	389.50	5.85	-60.56
CC1=C[NH+]=CN1CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030241566	1	49	0.0	-69.29	400.65	5.23	-64.06
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030241578	0	54	0.0	-72.79	407.26	4.33	-68.46
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030241578	1	54	0.0	-67.66	401.67	3.90	-63.76
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030241581	0	57	0.0	-72.62	425.95	4.43	-68.19
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030241581	1	57	0.0	-72.23	431.56	4.80	-67.43
CC1CCC(C)[NH+]1CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030241589	0	57	0.0	-67.14	430.38	4.93	-62.21
O=C(CCC[NH+]1CCCC1)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030241595	0	57	0.0	-72.06	440.49	5.38	-66.68
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030241600	0	56	0.0	-70.91	431.88	5.29	-65.62
O=C(CC[NH+]1CCCCC1)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030241601	0	57	0.0	-71.96	434.96	5.37	-66.59
C[NH+](C)C1(CC(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300030241636	0	60	0.0	-74.52	435.51	5.36	-69.16
C[N@H+](CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030241751	0	54	0.0	-68.20	417.91	4.87	-63.33
C[N@@H+](CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030241751	1	54	0.0	-68.32	417.15	4.87	-63.45
CC(C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300030241768	0	60	0.0	-61.09	431.26	4.81	-56.28
O=C(CCCC[NH+]1CCCC1)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030241780	0	60	0.0	-73.09	463.01	6.23	-66.86
C[NH+]1CCC(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030241791	0	54	0.0	-70.86	407.29	4.13	-66.73
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030241822	0	51	0.0	-69.96	389.42	3.39	-66.57
C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030241822	1	51	0.0	-67.86	393.44	3.73	-64.13
C[N@@H+]1CCCC1CCC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030241847	0	57	0.0	-70.93	432.91	4.96	-65.97
C[N@H+]1CCCC1CCC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030241847	1	57	0.0	-75.82	435.31	5.27	-70.55
O=C(NCCC[C@H]1CCCN1C(=O)C1CCC2CCCC[N@@H+]21)C1=CC(=O)[N-]O1	REAL300030241856	0	58	0.0	-66.66	431.98	5.33	-61.33
O=C(NCCC[C@H]1CCCN1C(=O)C1CCC2CCCC[N@H+]21)C1=CC(=O)[N-]O1	REAL300030241856	1	58	0.0	-67.03	430.42	5.34	-61.69
CCC[N@@H+]1CCCC(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030241912	0	60	0.0	-71.11	449.97	5.62	-65.49
CCC[N@H+]1CCCC(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030241912	1	60	0.0	-64.41	443.81	5.78	-58.63
CC(C)[N@@H+]1CCOC(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030241923	1	58	0.0	-71.17	432.40	4.09	-67.08
CC(C)[N@H+]1CCOC(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030241923	1	58	0.0	-66.86	424.69	3.80	-63.06
O=C(C[NH+]1CCC(CO)CC1)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030241972	0	58	0.0	-71.77	444.38	2.07	-69.70
CC1C(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030242012	0	54	0.0	-74.08	413.30	4.12	-69.96
CC1C(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030242012	1	54	0.0	-71.00	408.50	3.94	-67.06
C[N@@H+]1CCCCC1CCC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242014	0	60	0.0	-70.24	452.64	5.82	-64.42
C[N@H+]1CCCCC1CCC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242014	1	60	0.0	-70.36	452.73	5.84	-64.52
NC1=[NH+]C2=C(C=C1C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030242040	1	54	0.0	-59.35	417.67	3.49	-55.86
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242084	0	57	0.0	-67.73	431.82	4.58	-63.15
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242084	1	57	0.0	-65.26	408.47	3.62	-61.64
C[C@@H](C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030242101	0	50	0.0	-64.18	378.12	2.94	-61.24
C=CCC(C)(C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030242118	0	57	0.0	-59.07	408.02	4.12	-54.95
O=C(CC[NH+]1CCCC1)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242140	0	54	0.0	-72.31	418.72	4.55	-67.76
C[N@H+](CCO)CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242149	1	51	0.0	-70.80	399.82	0.32	-70.48
C[N@@H+](CCO)CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242149	1	51	0.0	-71.06	398.79	0.29	-70.77
O=C(NCCC[C@H]1CCCN1C(=O)C1C[N@@H+]2CCN1CCC2)C1=CC(=O)[N-]O1	REAL300030242182	0	57	0.0	-78.83	417.44	2.08	-76.75
O=C(NCCC[C@H]1CCCN1C(=O)C1C[N@H+]2CCN1CCC2)C1=CC(=O)[N-]O1	REAL300030242182	1	57	0.0	-82.20	413.83	2.30	-79.90
CC(C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300030242200	1	55	0.0	-70.82	429.07	4.84	-65.98
C[N@H+]1CC=C(CC(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030242228	0	55	0.0	-69.91	430.11	5.27	-64.64
C[N@@H+]1CC=C(CC(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030242228	1	55	0.0	-68.10	430.58	5.21	-62.89
C[S+](C)CCC(O)C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242240	0	53	0.0	-78.45	431.10	2.25	-76.20
CN1CC[N@H+](C)CC(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030242265	0	59	0.0	-69.03	438.58	2.74	-66.29
CN1CC[N@@H+](C)CC(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030242265	1	59	0.0	-69.24	438.84	2.36	-66.88
CC(C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300030242266	0	58	0.0	-64.53	428.48	1.61	-62.92
CC(C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1)[N@H+]1CCCC(O)C1	REAL300030242266	1	58	0.0	-65.32	431.03	1.44	-63.88
C[N@@H+]1CCCC(O)(CC(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030242297	0	58	0.0	-66.83	432.23	3.00	-63.83
C[N@H+]1CCCC(O)(CC(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030242297	1	58	0.0	-67.00	441.25	3.23	-63.77
CC1C[NH+](CC(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030242301	1	51	0.0	-70.47	401.92	3.99	-66.48
CC[N@@H+]1CCCC(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030242306	0	57	0.0	-70.57	428.48	4.87	-65.70
CC[N@H+]1CCCC(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030242306	1	57	0.0	-63.97	423.67	5.07	-58.90
NC1=[NH+]C=CC=C1CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242312	0	50	0.0	-66.91	405.64	2.71	-64.20
O=C(NCCC[C@H]1CCCN1C(=O)C1CCC[N@@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300030242322	0	55	0.0	-69.33	421.97	4.78	-64.55
O=C(NCCC[C@H]1CCCN1C(=O)C1CCC[N@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300030242322	1	55	0.0	-68.81	420.89	4.70	-64.11
O=C(C=CC[NH+]1CCCC1)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242360	0	55	0.0	-74.87	433.39	5.30	-69.57
O=C(NCCC[C@H]1CCCN1C(=O)C1CC[NH+](C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300030242379	0	58	0.0	-67.82	430.95	5.37	-62.45
CC[N@H+](C)CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242411	0	50	0.0	-69.98	389.12	3.53	-66.45
O=C(CN1CC2C=CC1C2)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242455	0	53	0.0	-68.40	410.76	4.85	-63.55
O=C(C[N@@H+]1CC2C=CC1C2)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242455	1	53	0.0	-68.58	410.26	4.87	-63.71
O=C(C[N@H+]1CC2C=CC1C2)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242455	1	53	0.0	-68.58	410.26	4.87	-63.71
CC(OCC[NH+](C)C)C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242572	0	57	0.0	-63.10	436.14	4.10	-59.00
C[NH+](C)CCOCCC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242581	0	57	0.0	-72.17	448.50	3.70	-68.47
COCCN(C)CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242583	0	54	0.0	-70.89	421.07	2.71	-68.18
COCC[N@H+](C)CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242583	1	54	0.0	-71.23	421.25	2.72	-68.51
COCC[N@@H+](C)CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242583	1	54	0.0	-71.23	421.25	2.72	-68.51
CC(CCC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030242588	0	56	0.0	-75.71	425.09	4.65	-71.06
CC[N@H+](CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030242610	0	54	0.0	-68.73	412.31	4.80	-63.93
CC1C[N@@H+]2CCN1C(C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030242620	0	57	0.0	-64.65	407.27	3.46	-61.19
CC1=NC(N)=CC=C1C=CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242646	0	54	0.0	-71.83	434.71	3.55	-68.28
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242646	1	54	0.0	-71.83	434.71	3.55	-68.28
O=C(C[N@@H+]1CC2CCC1C2)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242652	0	55	0.0	-67.15	415.96	4.81	-62.34
O=C(C[N@H+]1CC2CCC1C2)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242652	1	55	0.0	-67.15	415.96	4.81	-62.34
CC(C[NH+](C)C)C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242669	0	53	0.0	-67.07	400.83	3.70	-63.37
CC[N@@H+]1CCC1C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242709	0	51	0.0	-70.29	402.16	3.85	-66.44
CC(C)[N@@H+]1CCCC(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030242719	0	60	0.0	-64.27	441.77	5.27	-59.00
CC(C)[N@H+]1CCCC(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030242719	1	60	0.0	-64.27	441.77	5.27	-59.00
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242730	0	59	0.0	-65.65	425.02	2.98	-62.67
C#CCN1CCCCC1C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242768	0	56	0.0	-67.46	437.62	5.63	-61.83
C#CC[N@H+]1CCCCC1C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242768	1	56	0.0	-63.11	426.80	5.30	-57.81
C#CC[N@@H+]1CCCCC1C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242768	1	56	0.0	-63.11	426.80	5.30	-57.81
CNC1=NC(C)=CC=C1C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242769	0	53	0.0	-60.83	413.54	3.35	-57.48
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242769	1	53	0.0	-60.83	413.54	3.35	-57.48
CCCC(C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030242779	0	56	0.0	-68.03	420.06	4.60	-63.43
CC(CC[NH+](C)C)C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242800	0	56	0.0	-72.95	426.31	4.48	-68.47
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242890	0	57	0.0	-69.18	429.79	4.55	-64.63
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242890	1	57	0.0	-67.92	435.14	4.98	-62.94
C[NH+](C)CCCCCC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242895	0	59	0.0	-73.92	458.54	5.83	-68.09
O=C(CC[NH+]1CCC(O)CC1)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242899	0	58	0.0	-75.56	446.06	1.94	-73.62
CCC[N@@H+]1CCCCC1C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242902	0	60	0.0	-67.51	439.71	5.40	-62.11
CCC[N@H+]1CCCCC1C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242902	1	60	0.0	-66.87	451.42	5.85	-61.02
C[NH+]1CCN(CC(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030242910	1	56	0.0	-70.87	430.42	2.36	-68.51
CC1C[N@H+](C)CC(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030242994	1	55	0.0	-71.44	410.77	3.29	-68.15
CC1C[N@@H+](C)CC(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030242994	1	55	0.0	-84.71	417.36	3.39	-81.32
CCC1CCC[N@H+](CC(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030243024	0	60	0.0	-68.21	445.22	5.55	-62.66
CCC1CCC[N@@H+](CC(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030243024	1	60	0.0	-70.57	452.66	6.01	-64.56
C[NH+](C)CC1=CC=C(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)N1	REAL300030243032	0	55	0.0	-81.47	426.83	4.05	-77.42
O=C(C[NH+]1CC2CC2C1)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243046	0	52	0.0	-70.45	406.74	4.74	-65.71
O=C(CC1([NH+]2CCCC2)CC1)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243059	0	58	0.0	-68.12	436.92	5.67	-62.45
C[N@@H+]1CCCCC1C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243090	0	54	0.0	-68.39	400.43	4.01	-64.38
C[N@H+]1CCCCC1C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243090	1	54	0.0	-65.15	393.81	3.89	-61.26
C[N@@H+]1CCC(=CC(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030243182	0	52	0.0	-75.09	408.96	4.46	-70.63
C[N@H+]1CCC(=CC(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030243182	1	52	0.0	-75.06	408.62	4.45	-70.61
O=C(CNC1=CC=[NH+]C=C1)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243187	0	50	0.0	-71.71	407.10	2.16	-69.55
CC[NH+]1CCN(CC(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030243233	0	59	0.0	-69.27	447.71	3.08	-66.19
O=C(C=C1C[NH+]2CCC1CC2)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243234	0	56	0.0	-66.67	427.30	5.29	-61.38
C[N@H+](CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300030243271	0	58	0.0	-67.37	442.70	2.11	-65.26
C[N@@H+](CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300030243271	1	58	0.0	-68.18	442.32	2.28	-65.90
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243287	0	51	0.0	-67.56	392.65	3.76	-63.80
C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243287	1	51	0.0	-68.88	390.59	3.39	-65.49
CCN1CCOCC1CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243312	0	58	0.0	-66.13	428.84	3.01	-63.12
CC[N@@H+]1CCOCC1CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243312	1	58	0.0	-70.45	431.79	3.17	-67.28
CC[N@H+]1CCOCC1CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243312	1	58	0.0	-70.45	431.79	3.17	-67.28
NC1=NC2=CC(C(=O)N3CCC[C@@H]3CCCNC(=O)C3=CC(=O)[N-]O3)=CC=C2N1	REAL300030243379	0	51	0.0	-66.50	403.90	3.55	-62.95
NC1=[NH+]C2=CC(C(=O)N3CCC[C@@H]3CCCNC(=O)C3=CC(=O)[N-]O3)=CC=C2N1	REAL300030243379	1	51	0.0	-66.50	403.90	3.55	-62.95
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030243408	0	54	0.0	-72.02	420.06	4.64	-67.38
C[NH+](C)C1CCC(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030243421	0	60	0.0	-61.27	432.94	5.18	-56.09
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030243423	0	60	0.0	-61.25	432.95	5.18	-56.07
C[N@@H+]1CC=CCC1CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243424	0	55	0.0	-64.74	417.20	4.92	-59.82
C[N@H+]1CC=CCC1CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243424	1	55	0.0	-64.74	417.20	4.92	-59.82
CC1=CC(C=CC(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)=CN=C1N	REAL300030243469	0	54	0.0	-75.20	434.91	3.85	-71.35
CC1=CC(C=CC(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)=C[NH+]=C1N	REAL300030243469	1	54	0.0	-75.20	434.91	3.85	-71.35
C[NH+](C)CCOCC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243480	0	54	0.0	-71.67	427.22	3.95	-67.72
CCCCC[N@H+](C)CCC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243486	0	62	0.0	-74.54	476.27	6.44	-68.10
CCCCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243486	1	62	0.0	-74.54	476.27	6.44	-68.10
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030243496	0	58	0.0	-73.04	447.18	4.67	-68.37
[NH2+]=C1SC=CN1CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243513	0	47	0.0	-66.79	398.46	3.07	-63.72
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243571	0	57	0.0	-70.20	443.17	4.43	-65.77
O=C(CC[NH+]1CCCCCC1)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243601	0	60	0.0	-74.00	444.97	5.56	-68.44
O=C(C[NH+]1CCCCC1)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243605	0	54	0.0	-69.91	413.17	4.75	-65.16
C[N@@H+]1CCCC(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030243607	0	54	0.0	-72.35	412.14	4.25	-68.10
C[N@H+]1CCCC(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030243607	1	54	0.0	-64.25	404.68	4.37	-59.88
O=C(C[NH+]1CCC(CO)CC1)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243608	0	58	0.0	-71.77	444.38	2.07	-69.70
O=C(C[NH+]1CCCCCC1)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243609	0	57	0.0	-70.42	424.93	5.30	-65.12
CN1C=C[N+](CC(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030243614	0	49	0.0	-68.20	402.99	6.42	-61.78
C[NH+](C)CC1=CC=C(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030243627	1	54	0.0	-81.64	431.18	4.66	-76.98
O=C(C[NH+]1CCC(O)CC1)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243640	0	55	0.0	-75.08	424.32	1.41	-73.67
C[N@@H+](CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030243645	1	51	0.0	-67.89	400.35	4.29	-63.60
CC(C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300030243647	1	59	0.0	-61.13	436.01	2.47	-58.66
O=C(CC[N@@H+]1CCC(F)C1)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243649	1	54	0.0	-76.85	425.01	4.68	-72.17
CC(CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030243673	0	56	0.0	-77.21	428.52	4.91	-72.30
O=C(NCCC[C@H]1CCCN1C(=O)C1CC[N@@H+]2CCOCC12)C1=CC(=O)[N-]O1	REAL300030243688	0	56	0.0	-76.45	426.58	3.02	-73.43
O=C(NCCC[C@H]1CCCN1C(=O)C1CC[N@H+]2CCOCC12)C1=CC(=O)[N-]O1	REAL300030243688	1	56	0.0	-75.57	429.38	3.10	-72.47
CC1=[NH+]C=C2C=CC(C(=O)N3CCC[C@@H]3CCCNC(=O)C3=CC(=O)[N-]O3)=CN21	REAL300030243693	0	52	0.0	-63.39	410.84	5.62	-57.77
CN1CCOCC1CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243707	0	55	0.0	-71.92	414.08	2.48	-69.44
C[N@@H+]1CCOCC1CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243707	1	55	0.0	-66.08	414.51	2.57	-63.51
C[N@H+]1CCOCC1CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243707	1	55	0.0	-71.92	414.08	2.48	-69.44
CC[NH+]1CCN(CC(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030243713	0	59	0.0	-69.27	447.71	3.08	-66.19
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243753	1	50	0.0	-68.72	392.84	1.96	-66.76
NC1=CC=C(CCC(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C=[NH+]1	REAL300030243756	0	53	0.0	-71.45	430.75	3.41	-68.04
CC1(O)CC[N@@H+](CC(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030243788	1	55	0.0	-70.48	427.21	1.31	-69.17
C[NH+]1CC(CC(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030243820	0	51	0.0	-71.92	402.97	3.73	-68.19
O=C(NCCC[C@H]1CCCN1C(=O)C1CC[N@@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300030243825	0	58	0.0	-70.76	443.80	5.85	-64.91
O=C(NCCC[C@H]1CCCN1C(=O)C1CC[N@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300030243825	1	58	0.0	-68.70	434.58	5.29	-63.41
C[NH+](C)CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243833	0	47	0.0	-70.72	371.76	2.89	-67.83
C[N@H+](CCO)CCC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243859	0	54	0.0	-72.76	422.13	0.93	-71.83
C[N@@H+](CCO)CCC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243859	1	54	0.0	-71.91	422.06	0.88	-71.03
C[C@@H](C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030243860	0	50	0.0	-64.18	378.12	2.94	-61.24
C[N@@H+]1CCCCC1CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243876	0	57	0.0	-63.40	422.63	4.99	-58.41
C[N@H+]1CCCCC1CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243876	1	57	0.0	-64.19	422.65	4.97	-59.22
CC1=C2C=C(C(=O)N3CCC[C@@H]3CCCNC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030243893	1	52	0.0	-70.74	411.57	6.41	-64.33
CC(C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300030243894	0	54	0.0	-63.50	410.68	4.19	-59.31
CC1CC[N@@H+]1CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243897	0	51	0.0	-69.37	402.70	3.97	-65.40
CC1CC[N@H+]1CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243897	1	51	0.0	-68.31	396.67	3.72	-64.59
C[NH+](C)CC=CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243907	0	51	0.0	-75.93	405.71	4.09	-71.84
CC1(C)C[NH+](CC(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030243919	1	54	0.0	-70.70	421.30	4.47	-66.23
CC1=C(C)[NH+]=C(CCC(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)N1	REAL300030243936	1	55	0.0	-66.80	441.65	4.18	-62.62
CC1=C2C=C(C(=O)N3CCC[C@@H]3CCCNC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030243946	1	52	0.0	-70.74	411.57	6.41	-64.33
C[NH+](C)CCSCC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243954	0	54	0.0	-77.93	437.81	4.87	-73.06
O=C(C[N@H+]1CCCC1CO)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243977	0	55	0.0	-66.85	417.59	1.45	-65.40
O=C(C[N@@H+]1CCCC1CO)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243977	1	55	0.0	-69.41	421.04	0.97	-68.44
CC[NH+](CC)CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243981	0	53	0.0	-68.50	402.70	3.96	-64.54
C[N@H+](CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300030243991	0	55	0.0	-75.08	431.79	5.10	-69.98
C[N@@H+](CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300030243991	1	55	0.0	-74.45	430.95	5.15	-69.30
O=C(C[NH+]1CCC1)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243993	1	48	0.0	-70.65	381.53	3.30	-67.35
CC[NH+](CC)CCC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030244029	0	56	0.0	-71.71	429.34	4.85	-66.86
C[NH+](C)CC1=CNC(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030244080	0	55	0.0	-69.51	426.12	4.13	-65.38
CC(C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300030244093	0	58	0.0	-72.05	438.00	1.66	-70.39
O=C(NCCC[C@H]1CCCN1C(=O)C1CC2COCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300030244098	0	56	0.0	-73.21	426.62	3.10	-70.11
O=C(NCCC[C@H]1CCCN1C(=O)C1CC2COCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300030244098	1	56	0.0	-70.68	425.59	3.10	-67.58
CC(C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030244110	0	51	0.0	-68.20	395.51	3.64	-64.56
CCC(CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030244116	0	59	0.0	-58.05	439.27	5.37	-52.68
NC1=CC=C(C=CC(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C=[NH+]1	REAL300030244121	0	51	0.0	-76.08	418.11	3.09	-72.99
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030244168	0	54	0.0	-68.34	400.44	4.00	-64.34
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030244168	1	54	0.0	-67.47	412.03	4.46	-63.01
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030244180	0	57	0.0	-77.35	420.46	1.50	-75.85
CC1CN2CC[N@H+]1CC2C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030244180	1	57	0.0	-75.96	420.23	1.52	-74.44
C[NH+](C)CC(O)CC(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030244200	0	54	0.0	-76.66	424.31	1.93	-74.73
C[NH+]1C2CCC1CC(C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030244203	0	58	0.0	-68.46	390.04	4.37	-64.09
C=CCC(C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030244235	0	54	0.0	-70.24	417.80	4.48	-65.76
O=C(NCCC[C@H]1CCCN1C(=O)C1CC2CCCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300030244242	0	58	0.0	-70.09	435.35	5.43	-64.66
O=C(NCCC[C@H]1CCCN1C(=O)C1CC2CCCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300030244242	1	58	0.0	-72.45	435.22	5.44	-67.01
C[NH+]1CCC(O)(CC(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030244251	0	58	0.0	-69.57	438.58	3.28	-66.29
CC1=C2C=C(C(=O)NCCC[C@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030244324	1	52	0.0	-81.53	421.36	6.85	-74.68
C[NH+](C)CCSCC(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030244333	0	54	0.0	-83.13	436.04	4.73	-78.40
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC2COCC[N@@H+]2C1	REAL300030244341	0	56	0.0	-74.59	426.17	3.17	-71.42
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC2COCC[N@H+]2C1	REAL300030244341	1	56	0.0	-77.76	426.51	3.16	-74.60
C[N@@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030244503	0	51	0.0	-72.80	378.47	3.08	-69.72
C[N@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030244503	1	51	0.0	-65.85	384.99	3.53	-62.32
C[N@@H+]1CCOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030244527	1	52	0.0	-81.45	389.02	2.94	-78.51
C[N@H+]1CCOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030244527	1	52	0.0	-81.14	388.87	2.83	-78.31
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[NH+]1CCCCCC1	REAL300030244688	0	60	0.0	-65.36	428.76	5.05	-60.31
CC(C)[N@@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030244690	0	60	0.0	-64.46	425.39	5.24	-59.22
CC(C)[N@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030244690	1	60	0.0	-64.29	426.61	5.12	-59.17
CC(C)[N@@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030244711	0	57	0.0	-72.01	411.28	4.82	-67.19
CC(C)[N@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030244711	1	57	0.0	-71.66	410.93	4.76	-66.90
CC1(C)CC(NC(=O)C2CC3CCCC[N@@H+]3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030244727	0	58	0.0	-68.64	426.02	5.38	-63.26
CC1(C)CC(NC(=O)C2CC3CCCC[N@H+]3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030244727	1	58	0.0	-78.69	426.08	5.22	-73.47
CC(C)C1=[NH+]C=CN1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030244748	1	55	0.0	-70.47	424.32	5.28	-65.19
CC1=[NH+]C=CN1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030244778	1	49	0.0	-66.44	388.18	4.26	-62.18
CC(C[NH+]1CCOCC1)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030244779	0	58	0.0	-72.78	429.91	3.29	-69.49
CC1(C)CC(NC(=O)CCC[NH+]2CCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030244795	0	60	0.0	-72.49	443.82	5.82	-66.67
CC(C)(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[NH+]1CCCCC1	REAL300030244813	0	60	0.0	-73.39	428.10	5.63	-67.76
CC1(C)CC(NC(=O)C2C[NH+]3CCC2CC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030244821	0	55	0.0	-84.59	399.84	4.35	-80.24
CC1(C)CC(NC(=O)C2CCCC3CCC[N@@H+]32)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030244862	0	58	0.0	-63.30	423.35	5.52	-57.78
CC1(C)CC(NC(=O)C2CCCC3CCC[N@H+]32)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030244862	1	58	0.0	-63.48	423.04	5.37	-58.11
C[C@@H]1[C@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC[N@@H+]1C	REAL300030244876	0	54	0.0	-76.85	395.68	3.94	-72.91
C[C@@H]1[C@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC[N@H+]1C	REAL300030244876	1	54	0.0	-70.58	400.83	4.19	-66.39
CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC[N@@H+]1C	REAL300030244880	0	57	0.0	-72.49	414.60	4.24	-68.25
CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC[N@H+]1C	REAL300030244880	1	57	0.0	-73.24	419.69	4.88	-68.36
CC[N@@H+]1CCOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030244890	1	55	0.0	-71.07	406.59	3.48	-67.59
CC[N@H+]1CCOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030244890	1	55	0.0	-71.13	406.65	3.49	-67.64
CC[NH+](CC)CC(F)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030244931	0	56	0.0	-75.56	420.77	4.52	-71.04
CC1CCC(C)[NH+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030244994	0	57	0.0	-67.41	415.64	4.57	-62.84
CC1(C)CC(NC(=O)CCC[NH+]2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030245000	0	57	0.0	-72.00	428.60	5.16	-66.84
C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC1	REAL300030245005	0	56	0.0	-79.00	428.01	5.45	-73.55
CC1(C)CC(NC(=O)CC[NH+]2CCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030245006	0	57	0.0	-71.26	422.32	5.05	-66.21
CC[N@@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030245012	0	57	0.0	-64.24	418.11	4.78	-59.46
CC[N@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030245012	1	57	0.0	-67.63	418.34	4.89	-62.74
CC(C)C[N@@H+]1CCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030245026	0	60	0.0	-71.52	444.49	5.52	-66.00
CC(C)C[N@H+]1CCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030245026	1	60	0.0	-71.59	442.74	5.50	-66.09
C[NH+](C)C1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CCC1	REAL300030245030	0	54	0.0	-81.22	394.44	4.01	-77.21
CC(C)[N@@H+]1CCCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030245032	0	60	0.0	-69.91	427.51	4.68	-65.23
CC(C)[N@H+]1CCCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030245032	1	60	0.0	-74.62	437.29	5.11	-69.51
CC(C)[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[NH+](C)C	REAL300030245045	0	56	0.0	-65.10	407.72	4.66	-60.44
C[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)C1CCC1	REAL300030245086	0	54	0.0	-66.95	404.65	4.52	-62.43
C[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)C1CCC1	REAL300030245086	1	54	0.0	-66.58	404.99	4.64	-61.94
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[NH+]1C(C)CCC1C	REAL300030245145	0	60	0.0	-64.78	428.62	4.78	-60.00
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030245204	1	53	0.0	-67.15	405.11	4.30	-62.85
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030245204	1	53	0.0	-67.32	410.87	4.82	-62.50
C[N@@H+]1CCCC1CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030245210	0	57	0.0	-78.54	426.26	5.14	-73.40
C[N@H+]1CCCC1CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030245210	1	57	0.0	-69.66	420.07	4.53	-65.13
CC1(C)CC(NC(=O)C23CCC[NH+](CCC2)C3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030245219	0	58	0.0	-71.44	416.17	4.84	-66.60
CC1(C)CC(NC(=O)C2CCC3CCCC[N@@H+]32)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030245222	0	58	0.0	-64.90	426.67	5.61	-59.29
CC1(C)CC(NC(=O)C2CCC3CCCC[N@H+]32)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030245222	1	58	0.0	-66.28	426.46	5.60	-60.68
CC1(C)CC(NC(=O)CCCC[NH+]2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030245238	0	60	0.0	-74.55	448.49	5.84	-68.71
C[NH+]1CCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC1	REAL300030245249	0	54	0.0	-79.94	403.34	4.30	-75.64
C[NH+](C)CC1=CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)=NO1	REAL300030245284	1	53	0.0	-79.77	416.91	3.64	-76.13
CC1=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C=CC2=C[NH+]=CN21	REAL300030245285	0	52	0.0	-75.83	410.74	6.54	-69.29
C[N@@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030245316	0	54	0.0	-68.70	391.24	4.05	-64.65
C[N@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030245316	1	54	0.0	-68.43	391.23	3.98	-64.45
CC(C)C[N@@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030245338	0	60	0.0	-74.08	431.96	4.98	-69.10
CC(C)C[N@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030245338	1	60	0.0	-71.80	432.87	5.86	-65.94
CC1(C)CC(NC(=O)C2=CN3C=[NH+]C=C3C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030245438	0	49	0.0	-73.85	388.94	6.16	-67.69
CC1=[NH+]C=CN1CCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030245446	1	55	0.0	-68.91	429.58	5.47	-63.44
CC1(C)CC(NC(=O)CC[NH+]2CCOCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030245451	1	55	0.0	-75.29	414.05	2.64	-72.65
CC1=C[NH+]=CN1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030245481	1	49	0.0	-70.70	387.48	4.95	-65.75
CC1(C)CC(NC(=O)C23CCC[NH+]2CCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030245520	0	55	0.0	-79.26	403.32	4.63	-74.63
C[NH+](C)C1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030245544	0	60	0.0	-59.94	431.10	5.30	-54.64
C[N@@H+]1CCC(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030245547	0	54	0.0	-73.60	405.79	4.24	-69.36
C[N@H+]1CCC(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030245547	1	54	0.0	-76.86	405.13	4.26	-72.60
CN(C)C1=CC=[NH+]C=C1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030245559	0	53	0.0	-84.97	409.82	3.49	-81.48
CCC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[NH+](C)C	REAL300030245564	0	53	0.0	-63.85	387.70	3.62	-60.23
C[NH+](C)C1(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CCCC1	REAL300030245576	0	60	0.0	-77.88	422.63	5.09	-72.79
CC1(C)CC(NC(=O)C2=CC3=C[NH+]=CN3C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030245617	1	49	0.0	-81.63	389.21	6.15	-75.48
C[NH+](C)CCCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030245671	0	56	0.0	-76.02	423.97	4.70	-71.32
CC(C)C(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[NH+](C)C	REAL300030245691	0	56	0.0	-65.88	407.35	4.77	-61.11
CCC[N@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030245693	0	56	0.0	-73.19	420.37	4.60	-68.59
CCC[N@@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030245693	1	56	0.0	-73.44	420.02	4.48	-68.96
CCC[N@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030245698	0	53	0.0	-69.13	397.98	4.05	-65.08
CCC[N@@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030245698	1	53	0.0	-68.84	397.78	3.95	-64.89
CC1(C)CC(NC(=O)C23CC[N@H+](C2)CCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030245721	0	55	0.0	-74.37	400.51	3.75	-70.62
CC1(C)CC(NC(=O)C23CC[N@@H+](C2)CCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030245721	1	55	0.0	-74.06	400.36	3.88	-70.18
C[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030245757	0	51	0.0	-66.04	378.76	3.21	-62.83
C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030245757	1	51	0.0	-65.64	383.89	3.71	-61.93
CCCCCC[N@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030245814	0	62	0.0	-70.16	462.27	6.30	-63.86
CCCCCC[N@@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030245814	1	62	0.0	-70.15	462.47	6.40	-63.75
CC[NH+](CC)C(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)C(C)C	REAL300030245818	0	62	0.0	-64.50	426.02	4.66	-59.84
CC[NH+](CC)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030245827	0	53	0.0	-68.34	390.00	3.63	-64.71
CCC[N@@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030245859	0	60	0.0	-60.55	435.90	5.75	-54.80
CCC[N@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030245859	1	60	0.0	-60.36	436.04	5.79	-54.57
CC(C)[N@@H+]1CCOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030245874	1	58	0.0	-81.98	430.70	4.26	-77.72
CC(C)[N@H+]1CCOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030245874	1	58	0.0	-77.86	423.40	4.00	-73.86
CC1CC[NH+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC1	REAL300030245903	0	57	0.0	-70.60	421.07	5.02	-65.58
C[NH+]1CCC(OCC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC1	REAL300030245929	0	58	0.0	-81.91	438.56	4.65	-77.26
C[NH+](C)CC1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC1	REAL300030245940	0	54	0.0	-69.76	410.69	4.40	-65.36
CC(C)[NH+]1CCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC1	REAL300030246013	0	60	0.0	-76.65	434.01	5.25	-71.40
C[NH+]1CCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC1	REAL300030246031	0	54	0.0	-79.94	403.34	4.30	-75.64
CC(C)[C@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[NH+](C)C	REAL300030246049	0	56	0.0	-66.69	407.96	4.82	-61.87
CCC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[NH+](CC)CC	REAL300030246080	0	59	0.0	-62.20	423.56	4.90	-57.30
CC[N@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030246136	0	53	0.0	-72.45	398.87	3.86	-68.59
CC[N@@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030246136	1	53	0.0	-72.66	398.52	3.74	-68.92
CC1CCC[N@@H+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030246192	0	54	0.0	-65.34	397.21	3.92	-61.42
CC1CCC[N@H+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030246192	1	54	0.0	-65.43	397.49	4.02	-61.41
CC1CC[N@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030246194	0	54	0.0	-68.99	404.09	4.39	-64.60
CC1CC[N@@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030246194	1	54	0.0	-68.94	404.00	4.38	-64.56
CC1(C)CC[N@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030246198	0	57	0.0	-69.12	424.23	4.92	-64.20
CC1(C)CC[N@@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030246198	1	57	0.0	-68.31	423.77	4.90	-63.41
C[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)CC(C)(C)C	REAL300030246199	0	59	0.0	-69.99	427.25	4.96	-65.03
C[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)CC(C)(C)C	REAL300030246199	1	59	0.0	-68.56	428.33	5.08	-63.48
CC[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[NH+](C)C	REAL300030246207	0	53	0.0	-64.92	387.39	3.64	-61.28
C[NH+]1CCC(O)(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC1	REAL300030246364	0	58	0.0	-75.86	429.02	2.84	-73.02
C[NH+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030246376	0	47	0.0	-69.27	358.61	2.56	-66.71
CC1(C)CC(NC(=O)C[NH+]2CCC(CO)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030246380	1	58	0.0	-75.23	432.32	1.71	-73.52
CC1(C)CC(NC(=O)C[NH+]2CCCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030246381	0	57	0.0	-67.65	409.39	4.58	-63.07
CN1C=C[N+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)=C1	REAL300030246385	0	49	0.0	-65.19	390.01	6.15	-59.04
C[N@@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030246392	0	54	0.0	-58.40	397.16	4.47	-53.93
C[N@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030246392	1	54	0.0	-71.52	403.07	4.16	-67.36
CC1(C)CC(NC(=O)C2CCC[N@@H+]2C2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030246397	0	55	0.0	-74.71	411.15	4.52	-70.19
CC1(C)CC(NC(=O)C2CCC[N@H+]2C2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030246397	1	55	0.0	-78.82	406.72	5.35	-73.47
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[NH+]1CCC1	REAL300030246424	1	51	0.0	-67.32	386.31	3.59	-63.73
CCC(CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)C[NH+](C)C	REAL300030246429	0	59	0.0	-76.62	429.30	5.18	-71.44
C[NH+](C)CC(C)(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030246436	0	56	0.0	-67.96	405.82	4.36	-63.60
CC1(C)CC(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030246453	0	56	0.0	-72.65	416.27	5.19	-67.46
CC1(C)CC(NC(=O)C23CC(C2)C[N@H+]3C2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030246453	1	56	0.0	-77.05	422.55	5.26	-71.79
CC1(C)CC(NC(=O)C[NH+]2CCC(O)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030246461	1	55	0.0	-76.53	411.71	1.06	-75.47
C[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)C1CC1	REAL300030246462	0	51	0.0	-65.49	387.69	3.94	-61.55
C[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)C1CC1	REAL300030246462	1	51	0.0	-66.80	388.01	3.97	-62.83
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)N1CC[NH+](C)CC1	REAL300030246463	1	59	0.0	-70.05	431.71	2.37	-67.68
C[NH+]1CC(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030246481	0	51	0.0	-72.73	390.05	3.38	-69.35
CC1(C)CC(NC(=O)C2CC[N@@H+]2C2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030246485	0	58	0.0	-70.54	431.16	5.65	-64.89
CC1(C)CC(NC(=O)C2CC[N@H+]2C2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030246485	1	58	0.0	-68.94	423.81	5.10	-63.84
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030246493	0	57	0.0	-75.74	402.23	4.21	-71.53
CC(C)(C)[N@H+]1CCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030246493	1	57	0.0	-66.60	420.37	4.38	-62.22
C[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[NH+](C)C	REAL300030246504	0	50	0.0	-66.31	375.68	3.00	-63.31
CCC1CCC[N@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030246543	0	60	0.0	-68.12	432.25	5.31	-62.81
CCC1CCC[N@@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030246543	1	60	0.0	-70.14	439.52	5.67	-64.47
C[NH+](C)CC1=CC=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)N1	REAL300030246550	0	55	0.0	-90.02	425.64	3.84	-86.18
CC1(C)CC(NC(=O)CN2C=CSC2=[NH2+])CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030246591	0	47	0.0	-66.41	385.82	2.83	-63.58
C[N@H+](CCO)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030246601	0	54	0.0	-71.68	408.87	0.53	-71.15
C[N@@H+](CCO)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030246601	1	54	0.0	-71.92	409.28	0.58	-71.34
C[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[NH+](C)C	REAL300030246602	0	50	0.0	-66.31	375.68	3.00	-63.31
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030246606	0	54	0.0	-68.47	391.07	4.10	-64.37
C[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030246606	1	54	0.0	-64.19	401.03	4.19	-60.00
CC1CN2CC[N@@H+]1CC2C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030246614	0	57	0.0	-84.36	411.16	1.70	-82.66
CC1CN2CC[N@H+]1CC2C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030246614	1	57	0.0	-83.05	409.82	1.47	-81.58
CC1(C)CC(NC(=O)CC2=CC3=C[NH+]=CN3C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030246656	0	52	0.0	-67.57	413.18	6.81	-60.76
C[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)C1CCSC1	REAL300030246679	0	55	0.0	-70.93	419.56	4.86	-66.07
C[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)C1CCSC1	REAL300030246679	1	55	0.0	-73.92	418.09	4.87	-69.05
CC1(C)CC(NC(=O)C[NH+]2CCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030246680	1	48	0.0	-69.97	369.10	3.15	-66.82
C[N@@H+]1CCC(=CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030246710	0	52	0.0	-74.42	397.42	4.10	-70.32
C[N@H+]1CCC(=CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030246710	1	52	0.0	-74.71	396.42	4.13	-70.58
C[NH+](C)CCOCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030246743	0	54	0.0	-68.61	414.23	3.59	-65.02
CCCCC[N@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030246749	0	62	0.0	-74.18	463.01	6.05	-68.13
CCCCC[N@@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030246749	1	62	0.0	-74.15	463.02	6.04	-68.11
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)O1	REAL300030246758	0	58	0.0	-73.37	437.76	4.61	-68.76
C=CCC(C)(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[NH+](C)C	REAL300030246765	0	57	0.0	-60.19	411.89	4.54	-55.65
C[S+](C)CCC(O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030246770	0	53	0.0	-84.68	423.59	2.31	-82.37
C[N@@H+]1CC(O)CC1(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030246795	0	55	0.0	-74.81	407.41	0.91	-73.90
CN1CC[N@H+](C)CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030246805	0	59	0.0	-67.19	428.49	2.73	-64.46
CN1CC[N@@H+](C)CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030246805	1	59	0.0	-67.19	428.49	2.73	-64.46
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[N@@H+]1CCCC(O)C1	REAL300030246806	0	58	0.0	-68.54	427.81	1.75	-66.79
CC1(C)CC(NC(=O)CN2CCC(CO)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030246815	0	58	0.0	-75.23	432.32	1.71	-73.52
CC1(C)CC(NC(=O)C[NH+]2CCC(CO)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030246815	1	58	0.0	-75.23	432.32	1.71	-73.52
C[N@@H+]1CCCC(O)(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030246824	0	58	0.0	-59.04	428.77	2.87	-56.17
C[N@H+]1CCCC(O)(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030246824	1	58	0.0	-59.04	428.77	2.87	-56.17
CC1CN(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030246827	0	51	0.0	-69.45	390.05	3.74	-65.71
CC1C[NH+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030246827	1	51	0.0	-69.45	390.05	3.74	-65.71
C[N@H+](CCO)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030246853	1	51	0.0	-71.33	386.86	0.07	-71.26
C[N@@H+](CCO)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030246853	1	51	0.0	-71.09	386.52	-0.02	-71.11
CC1(C)CC(NC(=O)C2C[N@@H+]3CCN2CCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030246875	0	57	0.0	-84.40	405.39	2.32	-82.08
CC1(C)CC(NC(=O)C2C[N@H+]3CCN2CCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030246875	1	57	0.0	-75.96	406.67	1.86	-74.10
CC[N@@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030246881	0	57	0.0	-70.74	420.96	4.92	-65.82
CC[N@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030246881	1	57	0.0	-70.76	421.02	4.92	-65.84
CC(CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)C[NH+](C)C	REAL300030246883	0	56	0.0	-73.09	415.61	4.53	-68.56
CC[N@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030246894	0	50	0.0	-68.91	376.51	3.32	-65.59
CC[N@@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030246894	1	50	0.0	-68.94	376.50	3.32	-65.62
CC1(C)CC(NC(=O)C23CCC[N@@H+]2CCCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030246918	0	58	0.0	-65.04	412.16	5.16	-59.88
CC1(C)CC(NC(=O)C23CCC[N@H+]2CCCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030246918	1	58	0.0	-65.99	414.04	5.05	-60.94
CC1(C)CC(NC(=O)C23CCC[N@@H+]2CC=CC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030246923	0	56	0.0	-72.46	405.79	5.27	-67.19
CC1(C)CC(NC(=O)C23CCC[N@H+]2CC=CC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030246923	1	56	0.0	-68.67	405.25	5.16	-63.51
CC[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)C1CC1	REAL300030246943	0	54	0.0	-65.60	407.38	4.66	-60.94
CC[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)C1CC1	REAL300030246943	1	54	0.0	-66.66	407.85	4.69	-61.97
CC[NH+](CC)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030246959	0	56	0.0	-72.05	412.19	4.17	-67.88
C[NH+]1CCC(=CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC1	REAL300030246970	0	55	0.0	-73.05	412.60	5.01	-68.04
CC1(C)C[NH+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030246982	1	54	0.0	-70.29	408.87	4.11	-66.18
CC1(O)CC[N@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030247007	0	55	0.0	-71.06	415.14	1.04	-70.02
CC1(O)CC[N@@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030247007	1	55	0.0	-71.21	415.31	1.06	-70.15
C[NH+](C)CC=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030247014	0	51	0.0	-77.76	395.84	3.84	-73.92
CC(OCC[NH+](C)C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030247035	0	57	0.0	-63.81	434.27	4.31	-59.50
C[NH+](C)CCOCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030247043	0	57	0.0	-75.70	435.26	3.34	-72.36
COCC[N@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030247044	1	54	0.0	-71.14	408.77	2.38	-68.76
COCC[N@@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030247044	1	54	0.0	-69.90	409.09	2.48	-67.42
C[NH+](C)C1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CCCC1	REAL300030247077	0	57	0.0	-78.50	410.92	4.60	-73.90
CC(CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[NH+](C)C	REAL300030247080	0	56	0.0	-71.07	415.04	4.28	-66.79
CC[N@@H+]1CCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030247087	1	51	0.0	-70.20	390.10	3.49	-66.71
CC[N@H+]1CCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030247087	1	51	0.0	-69.48	390.19	3.57	-65.91
CC(C)[N@@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030247097	0	60	0.0	-63.08	431.21	5.55	-57.53
CC(C)[N@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030247097	1	60	0.0	-69.96	437.70	5.43	-64.53
CC1(C)CC(NC(=O)C[N@@H+]2CCCC2CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030247110	0	55	0.0	-68.81	412.86	1.14	-67.67
CC1(C)CC(NC(=O)C[N@H+]2CCCC2CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030247110	1	55	0.0	-67.88	408.32	0.74	-67.14
CC1(C)CC(NC(=O)C2CC3CCCC[N@@H+]3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030247132	0	58	0.0	-68.64	426.02	5.38	-63.26
CC1(C)CC(NC(=O)C2CC3CCCC[N@H+]3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030247132	1	58	0.0	-78.69	426.08	5.22	-73.47
C[NH+]1CCC(C)(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC1	REAL300030247138	0	57	0.0	-64.69	415.75	4.61	-60.08
C[NH+](C)CC1=CNC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)=C1	REAL300030247144	0	55	0.0	-81.45	424.85	3.81	-77.64
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[NH+]1CCC(O)CC1	REAL300030247158	0	58	0.0	-72.81	428.54	1.46	-71.35
C=CCC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[NH+](C)C	REAL300030247166	0	54	0.0	-63.02	401.95	4.09	-58.93
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030247176	0	57	0.0	-64.11	424.37	4.72	-59.39
C[N@H+]1CC(C)(C)CC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030247176	1	57	0.0	-65.20	418.64	4.35	-60.85
C[NH+](C)CCCCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030247180	0	59	0.0	-75.84	445.47	5.48	-70.36
CC1(C)CC(NC(=O)C[NH+]2CC3CC3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030247188	0	52	0.0	-69.72	394.11	4.52	-65.20
CC1C[N@@H+]2CCN1C(C(=O)NC1CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C1)C2	REAL300030247214	0	57	0.0	-74.23	396.39	1.68	-72.55
CC1C[N@H+]2CCN1C(C(=O)NC1CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C1)C2	REAL300030247214	1	57	0.0	-70.87	403.30	2.25	-68.62
CCCC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[NH+](C)C	REAL300030247215	0	56	0.0	-69.12	410.34	4.39	-64.73
C[NH+](C)C(C)(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030247219	0	53	0.0	-80.76	386.47	3.53	-77.23
C[N@@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030247257	0	54	0.0	-68.70	391.24	4.05	-64.65
C[N@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030247257	1	54	0.0	-68.43	391.23	3.98	-64.45
C[N@H+]1CC=C(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC1	REAL300030247290	0	55	0.0	-67.69	417.95	4.99	-62.70
C[N@@H+]1CC=C(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC1	REAL300030247290	1	55	0.0	-64.29	417.91	4.96	-59.33
CC1(C)CC(NC(=O)CC2([NH+]3CCCC3)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030247299	0	58	0.0	-70.24	422.00	5.19	-65.05
C[NH+](C)CC1=CC=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)O1	REAL300030247343	1	54	0.0	-86.51	423.10	4.35	-82.16
CC1(C)CC(NC(=O)C=CC[NH+]2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030247359	0	55	0.0	-76.40	420.06	5.01	-71.39
CC1(C)CC(NC(=O)C2CC[NH+](C3CC3)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030247380	0	58	0.0	-74.49	428.19	5.50	-68.99
C[NH+](C)C1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC1	REAL300030247399	0	51	0.0	-78.49	386.72	4.02	-74.47
CC1(C)CC(NC(=O)CC[NH+]2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030247401	0	54	0.0	-72.30	405.49	4.24	-68.06
CC1(C)CC(NC(=O)C2C[NH+]3CCN2CC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030247435	0	54	0.0	-85.31	395.13	1.08	-84.23
C[N@@H+]1CC2CC1(C(=O)NC1CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C1)C2	REAL300030247445	0	52	0.0	-80.33	390.92	3.69	-76.64
C[N@H+]1CC2CC1(C(=O)NC1CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C1)C2	REAL300030247445	1	52	0.0	-78.15	388.41	3.95	-74.20
CC1(C)CC(NC(=O)C[N@@H+]2CC3CCC2C3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030247457	0	55	0.0	-67.39	403.16	4.56	-62.83
CC1(C)CC(NC(=O)C[N@H+]2CC3CCC2C3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030247457	1	55	0.0	-68.55	405.28	4.75	-63.80
CC1(C)CC(NC(=O)C=C2C[NH+]3CCC2CC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030247498	0	56	0.0	-61.63	415.04	4.96	-56.67
CC1(C)CC(NC(=O)C[N@@H+]2CC3C=CC2C3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030247508	1	53	0.0	-68.43	397.80	4.54	-63.89
CC1(C)CC(NC(=O)C[N@H+]2CC3C=CC2C3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030247508	1	53	0.0	-67.99	397.99	4.64	-63.35
CC[NH+]1CCN(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC1	REAL300030247539	0	59	0.0	-67.67	435.32	2.72	-64.95
CC(C[NH+](C)C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030247556	0	53	0.0	-65.07	396.69	3.90	-61.17
C[N@@H+]1CCCCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030247626	0	57	0.0	-78.79	417.35	4.78	-74.01
C[N@H+]1CCCCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030247626	1	57	0.0	-79.15	417.47	4.73	-74.42
CC1=C2C=C(C(=O)NC3CN(C(=O)C4=CC(=O)[N-]O4)CC(C)(C)C3)C=CN2C=[NH+]1	REAL300030247642	1	52	0.0	-80.63	410.96	6.65	-73.98
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[NH+]1CC(C)C1	REAL300030247643	1	54	0.0	-67.50	406.53	4.29	-63.21
CC1CC[N@@H+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030247646	1	51	0.0	-67.03	384.34	3.37	-63.66
CC1CC[N@H+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030247646	1	51	0.0	-68.12	389.92	3.64	-64.48
C[NH+](C)CC(O)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030247650	0	54	0.0	-77.86	411.22	1.60	-76.26
CC1C[N@H+](C)CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)O1	REAL300030247677	1	55	0.0	-86.07	410.39	3.72	-82.35
CC1C[N@@H+](C)CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)O1	REAL300030247677	1	55	0.0	-91.41	417.20	3.74	-87.67
CC1(C)CC(NC(=O)CC[NH+]2CCC(O)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030247686	0	58	0.0	-74.14	433.41	1.69	-72.45
CCC[N@@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030247688	0	60	0.0	-68.43	430.44	5.47	-62.96
CCC[N@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030247688	1	60	0.0	-66.94	430.21	5.35	-61.59
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030247758	0	54	0.0	-75.36	408.35	4.37	-70.99
CC(CC[NH+](C)C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030247766	0	56	0.0	-72.12	418.79	4.54	-67.58
C[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[C@@H]1CCC[C@H]1O	REAL300030247786	0	58	0.0	-63.36	429.27	1.94	-61.42
C[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[C@@H]1CCC[C@H]1O	REAL300030247786	1	58	0.0	-66.96	429.62	1.76	-65.20
C#CC[N@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030247792	1	56	0.0	-65.96	425.60	5.33	-60.63
C#CC[N@@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030247792	1	56	0.0	-65.86	425.83	5.32	-60.54
C[NH+]1CCN(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC1	REAL300030247795	1	56	0.0	-72.16	417.45	2.03	-70.13
CC[NH+]1CCN(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC1	REAL300030247804	0	59	0.0	-67.67	435.32	2.72	-64.95
CC1(C)CC(NC(=O)CSC(N)=[NH2+])CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030247828	0	45	0.0	-74.89	366.53	-0.50	-75.39
CC[N@@H+]1CCOCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030247863	0	58	0.0	-78.89	426.67	3.02	-75.87
C[NH+](C)C1CCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC1	REAL300030247878	0	60	0.0	-80.25	437.59	5.47	-74.78
C[NH+](C)CCC1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC1	REAL300030247879	0	57	0.0	-85.63	432.99	5.11	-80.52
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC1	REAL300030247881	0	60	0.0	-72.46	431.11	5.34	-67.12
C[N@@H+]1CC=CCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030247882	0	55	0.0	-57.17	404.96	4.63	-52.54
C[N@H+]1CC=CCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030247882	1	55	0.0	-57.17	404.96	4.63	-52.54
C[C@@H](OCC[NH+](C)C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030247903	0	57	0.0	-71.28	434.46	4.40	-66.88
C[NH+]1C2CCC1CC(C(=O)NC1CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C1)C2	REAL300030247929	0	58	0.0	-77.34	400.86	4.99	-72.35
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[NH+]1CCSCC1	REAL300030248035	1	55	0.0	-71.12	412.70	4.44	-66.68
CCC1C[NH+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030248037	1	54	0.0	-70.40	411.08	4.39	-66.01
CC1(C)CC(NC(=O)C2([NH+]3CCCC3)CCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030248039	0	58	0.0	-63.40	420.71	5.27	-58.13
C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030248048	1	51	0.0	-67.17	378.50	3.07	-64.10
CC1(C)CC(NC(=O)CC[N@H+]2CCC(F)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030248055	1	54	0.0	-77.56	413.13	4.36	-73.20
COC1C[N@@H+](C)C(C)(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030248063	1	58	0.0	-82.73	428.00	3.21	-79.52
CC1(C)CC(NC(=O)CC[NH+]2CCCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030248071	0	60	0.0	-75.06	432.45	5.15	-69.91
CC1(C)CC(NC(=O)C[NH+]2CCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030248073	0	54	0.0	-69.43	400.49	4.51	-64.92
CC1C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC[N@@H+]1C	REAL300030248083	0	54	0.0	-72.07	399.72	3.72	-68.35
CC1C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC[N@H+]1C	REAL300030248083	1	54	0.0	-71.30	405.07	3.94	-67.36
C[N@@H+]1CCCCC1CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030248085	0	60	0.0	-78.87	432.50	5.27	-73.60
C[N@H+]1CCCCC1CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030248085	1	60	0.0	-78.87	432.76	5.37	-73.50
CC1(C)CC(NC(=O)C2CC[N@@H+]3CCOCC23)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030248113	0	56	0.0	-64.37	413.37	2.88	-61.49
CC1(C)CC(NC(=O)C2CC[N@H+]3CCOCC23)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030248113	1	56	0.0	-79.55	417.56	2.84	-76.71
CC1=[NH+]C=C2C=CC(C(=O)NC3CN(C(=O)C4=CC(=O)[N-]O4)CC(C)(C)C3)=CN21	REAL300030248118	0	52	0.0	-71.15	410.34	5.94	-65.21
CN1CCOCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030248132	0	55	0.0	-67.07	401.68	2.23	-64.84
C[N@@H+]1CCOCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030248132	1	55	0.0	-58.96	401.69	2.21	-56.75
C[N@H+]1CCOCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030248132	1	55	0.0	-67.07	401.68	2.23	-64.84
CC1=C(C)[NH+]=C(CCC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)N1	REAL300030248140	1	55	0.0	-66.87	429.01	3.92	-62.95
C[N@H+]1CCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030248310	1	51	0.0	-55.32	384.37	3.63	-51.69
CN1CCOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030248336	0	52	0.0	-89.52	395.20	3.07	-86.45
C[N@@H+]1CCOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030248336	1	52	0.0	-58.62	393.38	3.04	-55.58
C[N@H+]1CCOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030248336	1	52	0.0	-89.52	395.20	3.07	-86.45
CC1=[NH+]C=CN1CCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030248496	1	55	0.0	-58.46	432.63	5.74	-52.72
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[NH+]2CCOCC2)C1	REAL300030248501	1	55	0.0	-60.98	416.92	2.84	-58.14
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300030248526	0	55	0.0	-53.83	398.26	4.07	-49.76
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300030248535	1	49	0.0	-59.89	395.95	6.18	-53.71
C[NH+](C)C1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030248589	0	60	0.0	-66.84	430.31	5.27	-61.57
C[N@@H+]1CCC(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030248592	0	54	0.0	-60.28	408.02	4.48	-55.80
C[N@H+]1CCC(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030248592	1	54	0.0	-61.39	408.33	4.45	-56.94
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030248604	0	53	0.0	-61.30	415.62	2.57	-58.73
CCC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[NH+](C)C	REAL300030248609	0	53	0.0	-56.54	392.39	3.87	-52.67
C[NH+](C)CCCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030248671	0	56	0.0	-62.26	427.03	4.96	-57.30
CC(C)C(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[NH+](C)C	REAL300030248693	0	56	0.0	-55.03	404.15	4.43	-50.60
CCC[N@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030248695	0	56	0.0	-59.19	423.29	4.81	-54.38
CCC[N@@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030248695	1	56	0.0	-59.40	423.29	4.82	-54.58
CCC[N@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030248700	0	53	0.0	-57.40	400.88	4.20	-53.20
CCC[N@@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030248700	1	53	0.0	-57.33	400.89	4.19	-53.14
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300030248723	0	55	0.0	-58.73	393.16	3.66	-55.07
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300030248723	1	55	0.0	-59.38	394.29	3.64	-55.74
CCCCCC[N@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030248755	0	62	0.0	-58.28	465.38	6.55	-51.73
CCCCCC[N@@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030248755	1	62	0.0	-58.28	465.35	6.55	-51.73
CC[NH+](CC)C(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)C(C)C	REAL300030248759	0	62	0.0	-53.78	424.59	4.92	-48.86
CC1CC[NH+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC1	REAL300030248791	0	57	0.0	-56.71	424.56	5.28	-51.43
C[NH+]1CCC(OCC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC1	REAL300030248817	0	58	0.0	-65.92	441.61	4.96	-60.96
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300030248859	0	58	0.0	-56.30	425.57	5.32	-50.98
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300030248859	1	58	0.0	-56.54	425.48	5.39	-51.15
C[NH+](C)CC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC1	REAL300030248870	0	54	0.0	-53.38	410.22	4.37	-49.01
CC(C)[NH+]1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC1	REAL300030248881	0	60	0.0	-58.84	439.87	5.54	-53.30
CC[N@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030248902	0	53	0.0	-58.81	401.76	4.04	-54.77
CC[N@@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030248902	1	53	0.0	-58.92	401.79	4.09	-54.83
CC(C)(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[NH+]1CCCCC1	REAL300030248928	0	60	0.0	-53.42	422.74	5.32	-48.10
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300030248936	0	55	0.0	-62.28	399.22	4.29	-57.99
C[NH+]1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC1	REAL300030249011	0	54	0.0	-61.98	405.56	4.36	-57.62
CC(C)[C@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[NH+](C)C	REAL300030249029	0	56	0.0	-55.02	404.87	4.34	-50.68
CC[NH+](CC)CC(F)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030249115	0	56	0.0	-61.25	417.83	4.41	-56.84
CC(C)C[N@@H+]1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030249147	0	60	0.0	-60.77	445.92	5.70	-55.07
CC(C)C[N@H+]1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030249147	1	60	0.0	-58.50	442.88	5.57	-52.93
C[NH+](C)C1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CCC1	REAL300030249151	0	54	0.0	-52.49	376.51	3.43	-49.06
CCC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[NH+](CC)CC	REAL300030249182	0	59	0.0	-52.86	418.92	4.75	-48.11
CC1CCC[N@@H+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030249202	0	54	0.0	-54.42	400.37	4.16	-50.26
CC1CCC[N@H+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030249202	1	54	0.0	-54.33	407.02	4.60	-49.73
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[NH+]1CCCCCC1	REAL300030249257	0	60	0.0	-54.60	428.90	5.14	-49.46
CC(C)[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030249259	0	60	0.0	-53.02	433.20	5.29	-47.73
CC(C)[N@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030249259	1	60	0.0	-51.60	432.74	5.26	-46.34
CC(C)[N@@H+]1CCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030249280	0	57	0.0	-53.61	416.34	4.68	-48.93
CC(C)[N@H+]1CCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030249280	1	57	0.0	-52.27	401.21	4.25	-48.02
CC(C)[N@@H+]1CCCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030249286	0	60	0.0	-55.57	434.90	5.16	-50.41
CC(C)[N@H+]1CCCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030249286	1	60	0.0	-56.04	441.17	5.47	-50.57
CC(C)[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[NH+](C)C	REAL300030249299	0	56	0.0	-56.96	402.85	4.21	-52.75
CC1CC[N@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030249319	0	54	0.0	-56.51	407.02	4.49	-52.02
CC1CC[N@@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030249319	1	54	0.0	-56.19	407.77	4.54	-51.65
CC1(C)CC[N@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030249323	0	57	0.0	-55.98	426.88	5.03	-50.95
CC1(C)CC[N@@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030249323	1	57	0.0	-55.89	426.69	5.04	-50.85
C[N@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)CC(C)(C)C	REAL300030249324	0	59	0.0	-56.63	429.49	5.19	-51.44
C[N@@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)CC(C)(C)C	REAL300030249324	1	59	0.0	-56.20	431.43	5.33	-50.87
CC[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[NH+](C)C	REAL300030249332	0	53	0.0	-55.74	391.28	3.75	-51.99
CC1=[NH+]C=CN1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030249522	1	49	0.0	-56.70	391.06	4.40	-52.30
CC(C[NH+]1CCOCC1)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030249523	0	58	0.0	-59.51	430.63	3.33	-56.18
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC[NH+]2CCCCC2)C1	REAL300030249539	0	60	0.0	-59.49	447.20	6.10	-53.39
C[NH+](C)CC1=CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)=NO1	REAL300030249554	1	53	0.0	-70.55	416.87	4.06	-66.49
CC1=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C=CC2=C[NH+]=CN21	REAL300030249555	0	52	0.0	-61.71	414.35	6.62	-55.09
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030249589	1	55	0.0	-54.84	427.31	5.52	-49.32
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300030249620	0	58	0.0	-65.58	426.35	5.46	-60.12
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300030249620	1	58	0.0	-53.29	408.38	4.74	-48.55
CC[N@@H+]1CCOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030249637	1	55	0.0	-61.92	405.38	3.50	-58.42
CC[N@H+]1CCOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030249637	1	55	0.0	-61.96	405.44	3.51	-58.45
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300030249688	0	49	0.0	-55.79	395.85	6.12	-49.67
CC1=C[NH+]=CN1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030249693	1	49	0.0	-57.73	391.41	5.13	-52.60
C[C@@H]1[C@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC[N@@H+]1C	REAL300030249707	0	54	0.0	-59.91	397.75	4.06	-55.85
C[C@@H]1[C@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC[N@H+]1C	REAL300030249707	1	54	0.0	-56.79	399.09	3.89	-52.90
CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC[N@@H+]1C	REAL300030249711	0	57	0.0	-77.60	419.02	4.46	-73.14
CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC[N@H+]1C	REAL300030249711	1	57	0.0	-59.02	419.14	4.77	-54.25
CC1CCC(C)[NH+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030249722	0	57	0.0	-53.35	418.34	4.65	-48.70
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC[NH+]2CCCC2)C1	REAL300030249728	0	57	0.0	-59.78	429.94	5.28	-54.50
C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC1	REAL300030249734	0	56	0.0	-82.50	430.73	5.55	-76.95
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[NH+]2CCCCC2)C1	REAL300030249735	0	57	0.0	-58.31	425.25	5.26	-53.05
CC[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030249742	0	57	0.0	-56.32	412.11	4.67	-51.65
CC[N@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030249742	1	57	0.0	-54.28	420.05	5.03	-49.25
C[NH+](C)C1(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CCCC1	REAL300030249782	0	60	0.0	-58.70	425.52	5.30	-53.40
C[N@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)C1CCC1	REAL300030249923	0	54	0.0	-56.04	407.87	4.77	-51.27
C[N@@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)C1CCC1	REAL300030249923	1	54	0.0	-55.62	407.78	4.75	-50.87
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[NH+]1C(C)CCC1C	REAL300030249945	0	60	0.0	-49.43	423.81	4.87	-44.56
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300030249957	0	60	0.0	-61.07	451.41	6.06	-55.01
C[NH+]1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC1	REAL300030249968	0	54	0.0	-61.98	405.56	4.36	-57.62
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030250009	0	51	0.0	-54.43	378.07	3.20	-51.23
C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030250009	1	51	0.0	-56.07	383.43	3.60	-52.47
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030250032	1	53	0.0	-53.04	406.22	4.54	-48.50
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030250032	1	53	0.0	-54.51	410.46	4.93	-49.58
C[N@@H+]1CCCC1CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030250038	0	57	0.0	-59.85	423.42	4.85	-55.00
C[N@H+]1CCCC1CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030250038	1	57	0.0	-59.71	423.61	4.85	-54.86
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300030250047	0	58	0.0	-76.17	405.74	4.33	-71.84
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300030250050	0	58	0.0	-52.23	421.11	5.28	-46.95
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300030250050	1	58	0.0	-52.24	421.24	5.29	-46.95
CCC[N@@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030250119	0	60	0.0	-55.36	444.98	5.75	-49.61
CCC[N@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030250119	1	60	0.0	-75.33	444.79	5.72	-69.61
CC(C)[N@@H+]1CCOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030250134	1	58	0.0	-84.83	429.35	4.20	-80.63
CC(C)[N@H+]1CCOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030250134	1	58	0.0	-85.42	430.12	4.21	-81.21
C[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030250157	0	54	0.0	-58.37	394.30	4.01	-54.36
C[N@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030250157	1	54	0.0	-55.53	391.07	3.90	-51.63
CC(C)C[N@@H+]1CCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030250180	0	60	0.0	-70.83	446.56	5.91	-64.92
CC(C)C[N@H+]1CCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030250180	1	60	0.0	-53.78	444.57	5.80	-47.98
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300030250195	0	58	0.0	-58.48	435.43	1.99	-56.49
CC1C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC[N@@H+]1C	REAL300030250238	0	54	0.0	-59.17	399.29	3.86	-55.31
CC1C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC[N@H+]1C	REAL300030250238	1	54	0.0	-61.37	397.31	4.29	-57.08
C[N@@H+]1CCCCC1CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030250240	0	60	0.0	-56.43	435.62	5.58	-50.85
C[N@H+]1CCCCC1CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030250240	1	60	0.0	-56.40	435.59	5.57	-50.83
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC3=C(CCC3)[NH+]=C2N)C1	REAL300030250271	1	54	0.0	-50.91	417.77	3.52	-47.39
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030250329	0	57	0.0	-54.19	422.42	4.45	-49.74
CC(C)(C)[N@H+]1CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030250329	1	57	0.0	-53.08	422.06	4.46	-48.62
C[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[NH+](C)C	REAL300030250347	0	50	0.0	-55.90	378.07	3.17	-52.73
C=CCC(C)(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[NH+](C)C	REAL300030250364	0	57	0.0	-52.71	401.90	4.10	-48.61
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[NH+]2CCCC2)C1	REAL300030250386	0	54	0.0	-58.62	408.44	4.49	-54.13
C[N@H+](CCO)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030250396	1	51	0.0	-57.37	389.71	0.22	-57.15
C[N@@H+](CCO)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030250396	1	51	0.0	-57.45	389.46	0.24	-57.21
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300030250432	0	57	0.0	-64.14	404.82	2.18	-61.96
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300030250432	1	57	0.0	-64.03	404.79	2.18	-61.85
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[NH+]1CCSCC1	REAL300030250453	1	55	0.0	-57.87	418.59	4.72	-53.15
C[N@H+]1CC=C(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC1	REAL300030250485	0	55	0.0	-62.74	420.78	5.16	-57.58
C[N@@H+]1CC=C(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC1	REAL300030250485	1	55	0.0	-62.06	420.76	5.16	-56.90
C[S+](C)CCC(O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030250500	0	53	0.0	-60.53	422.32	2.22	-58.31
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030250518	0	55	0.0	-59.95	394.19	0.45	-59.50
C[N@H+]1CC(O)CC1(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030250518	1	55	0.0	-59.49	404.07	0.27	-59.22
CN1CC[N@H+](C)CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030250528	0	59	0.0	-59.67	428.11	2.75	-56.92
CN1CC[N@@H+](C)CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030250528	1	59	0.0	-56.28	432.10	2.33	-53.95
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[N@@H+]1CCCC(O)C1	REAL300030250529	0	58	0.0	-54.19	429.55	1.88	-52.31
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[N@H+]1CCCC(O)C1	REAL300030250529	1	58	0.0	-52.59	427.87	1.81	-50.78
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(N)[NH+]=CC3=C2CCC3)C1	REAL300030250556	0	54	0.0	-52.49	420.55	3.62	-48.87
C[N@@H+]1CCCC(O)(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030250562	0	58	0.0	-58.03	429.14	3.27	-54.76
C[N@H+]1CCCC(O)(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030250562	1	58	0.0	-59.37	419.34	3.08	-56.29
CC1C[NH+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030250567	1	51	0.0	-57.21	392.95	3.86	-53.35
CC[N@@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030250574	0	57	0.0	-52.99	415.39	5.12	-47.87
CC[N@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030250574	1	57	0.0	-56.72	422.40	4.94	-51.78
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=CC=C[NH+]=C2N)C1	REAL300030250580	0	50	0.0	-58.68	395.86	2.63	-56.05
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300030250592	0	55	0.0	-53.00	415.59	5.08	-47.92
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300030250592	1	55	0.0	-53.24	406.23	4.49	-48.75
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300030250634	0	55	0.0	-59.92	421.17	5.11	-54.81
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300030250655	0	58	0.0	-59.32	430.41	5.56	-53.76
CC[N@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030250698	0	50	0.0	-57.04	379.36	3.46	-53.58
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2CC3C=CC2C3)C1	REAL300030250749	0	53	0.0	-55.85	400.64	4.67	-51.18
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300030250749	1	53	0.0	-54.84	401.01	4.77	-50.07
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300030250749	1	53	0.0	-54.84	401.01	4.77	-50.07
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300030250868	0	58	0.0	-52.57	401.88	4.33	-48.24
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[N@H+]2CCCC3)C1	REAL300030250868	1	58	0.0	-53.20	402.49	4.30	-48.90
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300030250875	0	56	0.0	-53.00	403.30	4.44	-48.56
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300030250875	1	56	0.0	-53.19	399.93	4.32	-48.87
CC(OCC[NH+](C)C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030250885	0	57	0.0	-70.55	433.53	4.39	-66.16
C[NH+](C)CCOCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030250894	0	57	0.0	-59.45	438.49	3.62	-55.83
COCC[N@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030250896	1	54	0.0	-57.54	411.71	2.64	-54.90
COCC[N@@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030250896	1	54	0.0	-57.15	411.96	2.63	-54.52
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[NH+](C3CCOC3)C2)C1	REAL300030250897	0	56	0.0	-60.44	427.49	3.15	-57.29
CC(CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[NH+](C)C	REAL300030250901	0	56	0.0	-60.51	419.01	4.58	-55.93
C[NH+]1CCC(=CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC1	REAL300030250918	0	55	0.0	-65.01	414.10	5.08	-59.93
CC[N@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)C1CC1	REAL300030250926	0	54	0.0	-55.62	402.76	4.39	-51.23
CC[N@@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)C1CC1	REAL300030250926	1	54	0.0	-54.87	408.12	4.82	-50.05
CC1C[N@@H+]2CCN1C(C(=O)N1CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C1)C2	REAL300030250941	0	57	0.0	-56.63	411.01	1.44	-55.19
CC1C[N@H+]2CCN1C(C(=O)N1CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C1)C2	REAL300030250941	1	57	0.0	-63.70	411.20	1.47	-62.23
C[N@@H+]1CC2CC1(C(=O)N1CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C1)C2	REAL300030250964	0	52	0.0	-56.61	388.56	3.85	-52.76
C[N@H+]1CC2CC1(C(=O)N1CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C1)C2	REAL300030250964	1	52	0.0	-50.22	384.32	3.78	-46.44
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030250973	1	54	0.0	-57.73	425.53	3.49	-54.24
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300030250979	0	55	0.0	-54.52	408.17	4.89	-49.63
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300030250979	1	55	0.0	-55.07	408.55	4.92	-50.15
CC(C[NH+](C)C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030250999	0	53	0.0	-59.61	400.08	3.96	-55.65
C[NH+](C)C1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC1	REAL300030251015	0	51	0.0	-58.42	383.99	3.26	-55.16
C[C@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[NH+](C)C	REAL300030251040	0	50	0.0	-55.70	377.61	3.12	-52.58
CC[N@@H+]1CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030251047	1	51	0.0	-55.96	385.66	3.49	-52.47
CC[N@H+]1CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030251047	1	51	0.0	-55.49	384.77	3.42	-52.07
CC(C)[N@@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030251059	0	60	0.0	-54.25	438.77	5.51	-48.74
CC(C)[N@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030251059	1	60	0.0	-73.68	440.00	5.50	-68.18
CCC(C)(C)[NH2+]C(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030251074	0	59	0.0	-55.46	423.25	3.20	-52.26
C#CC[N@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030251115	1	56	0.0	-53.49	416.31	5.04	-48.45
C#CC[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030251115	1	56	0.0	-54.00	416.35	5.09	-48.91
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030251116	1	53	0.0	-51.76	414.71	3.44	-48.32
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C[NH+]=CC=C2N)C1	REAL300030251117	0	47	0.0	-57.57	373.58	0.78	-56.79
CCCC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[NH+](C)C	REAL300030251126	0	56	0.0	-57.53	413.65	4.64	-52.89
C[NH+](C)C(C)(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030251133	0	53	0.0	-51.14	380.96	3.22	-47.92
CC(CC[NH+](C)C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030251151	0	56	0.0	-61.80	421.74	4.58	-57.22
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300030251218	0	56	0.0	-53.05	414.57	6.03	-47.02
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300030251218	1	56	0.0	-76.21	414.00	6.05	-70.16
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030251252	0	57	0.0	-55.11	423.80	4.71	-50.40
C[N@H+]1CC(C)(C)CC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030251252	1	57	0.0	-54.26	419.07	4.50	-49.76
C[NH+](C)CCCCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030251257	0	59	0.0	-63.50	448.52	5.75	-57.75
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[NH+]2CCC(O)CC2)C1	REAL300030251261	0	58	0.0	-61.52	436.33	1.91	-59.61
CCC[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030251265	0	60	0.0	-54.44	441.62	5.76	-48.68
CCC[N@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030251265	1	60	0.0	-55.19	433.39	5.41	-49.78
C[NH+]1CCN(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC1	REAL300030251274	1	56	0.0	-61.78	420.68	2.28	-59.50
CC1C[N@H+](C)CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)O1	REAL300030251367	1	55	0.0	-80.27	409.17	3.61	-76.66
CC1C[N@@H+](C)CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)O1	REAL300030251367	1	55	0.0	-58.79	415.94	3.79	-55.00
CCC1CCC[N@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030251399	0	60	0.0	-56.01	435.66	5.87	-50.14
CCC1CCC[N@@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030251399	1	60	0.0	-56.07	435.64	5.86	-50.21
C[NH+](C)CC1=CC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)N1	REAL300030251407	0	55	0.0	-57.15	423.44	4.31	-52.84
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300030251422	0	52	0.0	-56.52	397.12	4.68	-51.84
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2([NH+]3CCCC3)CC2)C1	REAL300030251435	0	58	0.0	-55.27	426.78	5.58	-49.69
C[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030251472	0	54	0.0	-58.37	394.30	4.01	-54.36
C[N@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030251472	1	54	0.0	-55.53	391.07	3.90	-51.63
C[N@@H+]1CCC(=CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030251587	0	52	0.0	-64.74	398.41	4.39	-60.35
C[N@H+]1CCC(=CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030251587	1	52	0.0	-64.76	398.64	4.41	-60.35
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300030251592	0	50	0.0	-57.84	397.38	2.06	-55.78
CC[NH+]1CCN(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC1	REAL300030251646	0	59	0.0	-60.50	437.91	2.92	-57.58
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=C2C[NH+]3CCC2CC3)C1	REAL300030251649	0	56	0.0	-62.65	416.99	5.22	-57.43
C[NH+](C)C1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CCCC1	REAL300030251684	0	57	0.0	-58.27	398.02	4.41	-53.86
C[N@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[C@@H]1CCC[C@H]1O	REAL300030251695	0	58	0.0	-55.86	431.68	2.06	-53.80
C[N@@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[C@@H]1CCC[C@H]1O	REAL300030251695	1	58	0.0	-55.38	432.51	2.17	-53.21
CCC1C[NH+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030251699	1	54	0.0	-58.04	414.11	4.58	-53.46
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300030251703	0	58	0.0	-50.29	402.24	4.60	-45.69
C[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030251717	0	51	0.0	-55.75	386.35	3.65	-52.10
C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030251717	1	51	0.0	-58.19	380.28	3.31	-54.88
CC[N@@H+]1CCOCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030251745	0	58	0.0	-60.08	425.33	3.15	-56.93
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C3NC(N)=NC3=C2)C1	REAL300030251826	0	51	0.0	-56.94	405.77	3.73	-53.21
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C3NC(N)=[NH+]C3=C2)C1	REAL300030251826	1	51	0.0	-56.94	405.77	3.73	-53.21
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030251860	0	54	0.0	-61.76	410.76	4.52	-57.24
C[NH+](C)C1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC1	REAL300030251874	0	60	0.0	-61.36	430.26	5.26	-56.10
C[NH+](C)CCC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC1	REAL300030251875	0	57	0.0	-56.95	429.55	5.17	-51.78
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC1	REAL300030251877	0	60	0.0	-61.33	430.27	5.25	-56.08
C[N@@H+]1CC=CCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030251878	0	55	0.0	-55.69	407.91	4.83	-50.86
C[N@H+]1CC=CCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030251878	1	55	0.0	-59.60	412.80	4.90	-54.70
CC1=CC(C=CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)=C[NH+]=C1N	REAL300030251926	1	54	0.0	-55.67	425.73	3.79	-51.88
C[NH+](C)CCOCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030251938	0	54	0.0	-61.77	417.54	3.91	-57.86
CCCCC[N@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030251944	0	62	0.0	-60.05	466.29	6.37	-53.68
CCCCC[N@@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030251944	1	62	0.0	-60.25	466.29	6.38	-53.87
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)O1	REAL300030251955	0	58	0.0	-62.03	437.11	4.62	-57.41
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2C=CSC2=[NH2+])C1	REAL300030251979	0	47	0.0	-54.18	388.72	2.97	-51.21
C[C@@H](OCC[NH+](C)C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030252048	0	57	0.0	-59.19	432.84	4.34	-54.85
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[NH+]2CCCCCC2)C1	REAL300030252086	0	60	0.0	-59.01	435.71	5.48	-53.53
C[N@@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030252092	0	54	0.0	-61.66	396.72	4.21	-57.45
C[N@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030252092	1	54	0.0	-61.66	396.72	4.21	-57.45
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCCCCC2)C1	REAL300030252094	0	57	0.0	-57.06	412.74	4.84	-52.22
CN1C=C[N+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)=C1	REAL300030252099	0	49	0.0	-56.30	392.93	6.32	-49.98
CN(C)CC1=CC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)O1	REAL300030252115	0	54	0.0	-60.74	422.28	4.53	-56.21
C[NH+](C)CC1=CC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)O1	REAL300030252115	1	54	0.0	-60.74	422.28	4.53	-56.21
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2CCC(O)CC2)C1	REAL300030252131	0	55	0.0	-60.04	414.80	1.33	-58.71
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300030252131	1	55	0.0	-60.04	414.80	1.33	-58.71
C[N@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)C1CC1	REAL300030252136	0	51	0.0	-55.33	391.07	4.19	-51.14
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)N1CCN(C)CC1	REAL300030252138	0	59	0.0	-61.01	437.23	2.70	-58.31
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)N1CC[NH+](C)CC1	REAL300030252138	1	59	0.0	-61.01	437.23	2.70	-58.31
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[N@@H+]2CCC(F)C2)C1	REAL300030252140	0	54	0.0	-62.24	415.93	4.64	-57.60
COC1C[N@H+](C)C(C)(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030252150	0	58	0.0	-55.80	423.07	2.55	-53.25
CC(CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)C[NH+](C)C	REAL300030252167	0	56	0.0	-60.97	418.88	4.88	-56.09
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300030252182	0	56	0.0	-58.49	416.99	2.92	-55.57
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@H+]3CCOCC23)C1	REAL300030252182	1	56	0.0	-58.49	416.99	2.92	-55.57
CN1CCOCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030252201	0	55	0.0	-58.35	404.82	2.52	-55.83
C[N@@H+]1CCOCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030252201	1	55	0.0	-61.79	412.18	2.64	-59.15
C[N@H+]1CCOCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030252201	1	55	0.0	-61.79	412.18	2.64	-59.15
CC1=CC(N)=NC=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030252261	0	50	0.0	-57.07	394.58	2.08	-54.99
CC1=CC(N)=[NH+]C=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030252261	1	50	0.0	-57.07	394.58	2.08	-54.99
CC1(O)CC[N@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030252303	0	55	0.0	-57.42	418.20	1.21	-56.21
C[NH+]1CC(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030252337	0	51	0.0	-59.84	392.95	3.65	-56.19
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300030252342	0	58	0.0	-56.13	431.75	5.51	-50.62
C[N@H+](CCO)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030252378	0	54	0.0	-58.63	412.12	0.84	-57.79
C[N@@H+](CCO)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030252378	1	54	0.0	-58.63	412.12	0.84	-57.79
C[N@@H+]1CCCCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030252399	0	57	0.0	-55.40	413.41	4.89	-50.51
C[N@H+]1CCCCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030252399	1	57	0.0	-55.40	413.41	4.89	-50.51
CC1=C2C=C(C(=O)N3CC(NC(=O)C4=CC(=O)[N-]O4)CC(C)(C)C3)C=CN2C=N1	REAL300030252419	0	52	0.0	-58.64	417.87	6.74	-51.90
CC1=C2C=C(C(=O)N3CC(NC(=O)C4=CC(=O)[N-]O4)CC(C)(C)C3)C=CN2C=[NH+]1	REAL300030252419	1	52	0.0	-58.64	417.87	6.74	-51.90
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)N1CC(C)C1	REAL300030252420	0	54	0.0	-71.31	411.03	4.31	-67.00
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[NH+]1CC(C)C1	REAL300030252420	1	54	0.0	-71.31	411.03	4.31	-67.00
CC1CCN1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030252424	0	51	0.0	-56.50	393.01	3.83	-52.67
CC1CC[N@@H+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030252424	1	51	0.0	-55.93	387.49	3.62	-52.31
CC1CC[N@H+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030252424	1	51	0.0	-55.93	387.49	3.62	-52.31
C[NH+](C)CC=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030252437	0	51	0.0	-62.42	396.55	4.01	-58.41
CC1(C)CN(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030252450	0	54	0.0	-56.89	412.04	4.35	-52.54
CC1(C)C[NH+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C1	REAL300030252450	1	54	0.0	-56.89	412.04	4.35	-52.54
CC1=C(C)NC(CCC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)=N1	REAL300030252468	0	55	0.0	-53.97	432.87	4.19	-49.78
CC1=C(C)[NH+]=C(CCC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)N1	REAL300030252468	1	55	0.0	-53.97	432.87	4.19	-49.78
CC1=C2C=C(C(=O)N3CC(NC(=O)C4=CC(=O)[N-]O4)CC(C)(C)C3)C=CN2C=N1	REAL300030252479	0	52	0.0	-58.64	417.87	6.74	-51.90
CC1=C2C=C(C(=O)N3CC(NC(=O)C4=CC(=O)[N-]O4)CC(C)(C)C3)C=CN2C=[NH+]1	REAL300030252479	1	52	0.0	-58.64	417.87	6.74	-51.90
C[NH+](C)CCSCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030252488	0	54	0.0	-64.27	428.56	4.80	-59.47
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+]2CCCC2CO)C1	REAL300030252513	0	55	0.0	-55.48	414.69	1.35	-54.13
CC[NH+](CC)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030252517	0	53	0.0	-56.15	397.70	4.15	-52.00
C[N@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)C1CCSC1	REAL300030252527	0	55	0.0	-60.90	420.99	5.01	-55.89
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2CCC2)C1	REAL300030252529	0	48	0.0	-57.33	371.95	3.25	-54.08
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCC2)C1	REAL300030252529	1	48	0.0	-57.33	371.95	3.25	-54.08
CC[NH+](CC)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030252575	0	56	0.0	-57.78	419.60	4.76	-53.02
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300030252660	0	56	0.0	-58.79	416.09	2.91	-55.88
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC3COCC[N@H+]3C2)C1	REAL300030252660	1	56	0.0	-58.79	416.09	2.91	-55.88
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)N1CCC1	REAL300030252674	0	51	0.0	-55.24	387.40	3.64	-51.60
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[NH+]1CCC1	REAL300030252674	1	51	0.0	-55.24	387.40	3.64	-51.60
CCC(CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)C[NH+](C)C	REAL300030252680	0	59	0.0	-58.94	436.50	5.47	-53.47
C[NH+](C)CC(C)(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030252688	0	56	0.0	-56.24	396.29	3.85	-52.39
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030252746	0	54	0.0	-57.10	401.40	4.32	-52.78
CC1CN2CC[N@@H+]1CC2C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030252760	0	57	0.0	-61.49	411.13	1.40	-60.09
C[NH+](C)CC(O)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030252781	0	54	0.0	-63.24	414.26	1.85	-61.39
C[NH+]1C2CCC1CC(C(=O)N1CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C1)C2	REAL300030252784	0	58	0.0	-58.47	406.61	4.51	-53.96
C=CCC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1)[NH+](C)C	REAL300030252816	0	54	0.0	-56.34	405.53	4.34	-52.00
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300030252824	0	58	0.0	-56.54	425.48	5.39	-51.15
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300030252824	1	58	0.0	-56.54	425.48	5.39	-51.15
C[NH+]1CCC(C)(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC1	REAL300030252835	0	57	0.0	-56.86	403.61	4.14	-52.72
C[NH+]1CCC(O)(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)CC1	REAL300030252837	0	58	0.0	-63.21	432.14	3.14	-60.07
CC1=C2C=C(C(=O)NC3CN(C(=O)C4=CC(=O)[N-]O4)CC(C)(C)C3)C=CN2C=[NH+]1	REAL300030252913	1	52	0.0	-80.63	410.96	6.65	-73.98
C[NH+](C)CCSCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030252922	0	54	0.0	-81.20	425.31	4.47	-76.73
CC1(C)CC(NC(=O)C2CC3COCC[N@@H+]3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030252930	0	56	0.0	-72.96	417.32	2.87	-70.09
CC1(C)CC(NC(=O)C2CC3COCC[N@H+]3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030252930	1	56	0.0	-74.27	417.03	2.90	-71.37
C[N@@H+]1CCCC1C(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030253094	0	55	0.0	-73.79	403.47	3.87	-69.92
C[N@H+]1CCCC1C(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030253094	1	55	0.0	-70.50	403.77	3.90	-66.60
C[N@@H+]1CCOC(C(=O)NC2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030253118	1	56	0.0	-85.52	420.65	3.78	-81.74
C[N@H+]1CCOC(C(=O)NC2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030253118	1	56	0.0	-77.99	413.54	3.60	-74.39
CC1=[NH+]C=CN1CC(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030253258	1	53	0.0	-70.57	414.92	4.97	-65.60
C[C@@H]1[C@H](C(=O)NC2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@@H+]1C	REAL300030253283	0	58	0.0	-77.52	420.42	4.33	-73.19
C[C@@H]1[C@H](C(=O)NC2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@H+]1C	REAL300030253283	1	58	0.0	-76.61	426.87	4.63	-71.98
C[NH+](C)C1(C(=O)NC2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CCC1	REAL300030253312	0	58	0.0	-77.54	418.67	4.88	-72.66
CC(C)[C@@H](C(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030253314	0	60	0.0	-69.89	433.46	5.54	-64.35
C[N@H+](CC(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCC1	REAL300030253328	0	58	0.0	-72.00	431.59	5.33	-66.67
C[N@@H+](CC(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCC1	REAL300030253328	1	58	0.0	-72.42	431.72	5.35	-67.07
C[NH+]1CCC(C(=O)NC2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030253361	0	58	0.0	-77.58	428.17	5.06	-72.52
C[N@@H+]1CCCCC1C(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030253372	0	58	0.0	-67.94	425.74	4.88	-63.06
C[N@H+]1CCCCC1C(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030253372	1	58	0.0	-67.49	427.57	4.94	-62.55
CC1=C[NH+]=CN1CC(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030253398	1	53	0.0	-73.26	412.30	5.71	-67.55
C[N@@H+]1CCC(CC(=O)NC2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030253408	0	58	0.0	-77.17	429.78	4.92	-72.25
C[N@H+]1CCC(CC(=O)NC2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030253408	1	58	0.0	-76.48	429.57	4.90	-71.58
CCC(C(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030253411	0	57	0.0	-71.16	415.89	4.35	-66.81
C[NH+](C)CCCCC(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030253430	0	60	0.0	-76.17	450.85	5.48	-70.69
CC(C)C(C(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030253435	0	60	0.0	-71.86	434.54	5.58	-66.28
CCC[N@H+](C)CCC(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030253436	0	60	0.0	-75.74	445.18	5.35	-70.39
CCC[N@@H+](C)CCC(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030253436	1	60	0.0	-76.08	447.08	5.29	-70.79
CCC[N@H+](C)CC(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030253437	0	57	0.0	-74.73	422.83	4.80	-69.93
CCC[N@@H+](C)CC(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030253437	1	57	0.0	-74.26	424.72	4.76	-69.50
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030253455	0	55	0.0	-71.84	403.67	3.83	-68.01
C[N@H+]1CCC[C@@H]1C(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030253455	1	55	0.0	-69.39	409.61	4.38	-65.01
CC[NH+](CC)CC(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030253470	0	57	0.0	-72.26	421.59	4.71	-67.55
C[NH+](C)CC1(C(=O)NC2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030253528	0	58	0.0	-73.44	436.69	5.24	-68.20
C[NH+]1CCC(C(=O)NC2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030253555	0	58	0.0	-77.58	428.17	5.06	-72.52
CC(C)[C@H](C(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030253570	0	60	0.0	-71.27	434.00	5.69	-65.58
CC[N@H+](C)CCC(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030253609	0	57	0.0	-75.33	425.58	4.55	-70.78
CC[N@@H+](C)CCC(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030253609	1	57	0.0	-75.32	425.59	4.54	-70.78
CC1CCC[N@@H+]1CC(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030253622	0	58	0.0	-69.52	428.18	5.09	-64.43
CC1CCC[N@H+]1CC(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030253622	1	58	0.0	-72.08	428.77	5.17	-66.91
CC1CC[N@H+](CC(=O)NC2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030253623	0	58	0.0	-71.51	430.04	5.01	-66.50
CC1CC[N@@H+](CC(=O)NC2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030253623	1	58	0.0	-70.93	428.77	5.10	-65.83
CC[C@@H](C(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030253626	0	57	0.0	-71.56	415.35	4.46	-67.10
C[NH+](C)CC(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030253668	0	51	0.0	-74.57	385.49	3.35	-71.22
CN1C=C[N+](CC(=O)NC2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=C1	REAL300030253669	0	53	0.0	-71.67	416.72	6.86	-64.81
C[N@@H+]1CCCC(C(=O)NC2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030253672	0	58	0.0	-74.82	427.83	4.94	-69.88
C[N@H+]1CCCC(C(=O)NC2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030253672	1	58	0.0	-67.98	422.09	5.18	-62.80
CC(C(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+]1CCC1	REAL300030253682	1	55	0.0	-68.93	414.72	4.37	-64.56
C[NH+](C)CC(C)(C)C(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030253686	0	60	0.0	-68.28	433.15	5.03	-63.25
C[N@H+](CC(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC1	REAL300030253693	0	55	0.0	-71.13	412.86	4.81	-66.32
C[N@@H+](CC(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC1	REAL300030253693	1	55	0.0	-71.88	414.89	4.76	-67.12
C[NH+]1CC(CC(=O)NC2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030253705	0	55	0.0	-72.04	417.07	4.16	-67.88
C[C@@H](C(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030253718	0	54	0.0	-72.40	401.68	3.81	-68.59
C[N@H+](CCO)CCC(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030253760	0	58	0.0	-75.04	435.94	1.33	-73.71
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C[C@H](C(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030253824	0	54	0.0	-69.33	402.85	3.87	-65.46
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C[N@H+](CCO)CC(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030253855	1	55	0.0	-74.86	413.57	0.78	-74.08
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CC[N@@H+](C)CC(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030253869	1	54	0.0	-73.87	403.22	4.01	-69.86
CC[N@H+](CC(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC1	REAL300030253882	0	58	0.0	-70.59	434.08	5.38	-65.21
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COCC[N@H+](C)CC(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030253914	1	58	0.0	-75.03	433.71	3.23	-71.80
COCC[N@@H+](C)CC(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030253914	1	58	0.0	-75.12	435.82	3.19	-71.93
CC(CCC(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030253926	0	60	0.0	-73.72	442.84	5.08	-68.64
CC[N@@H+]1CCC1C(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030253932	1	55	0.0	-68.58	408.48	4.30	-64.28
CC[N@H+]1CCC1C(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030253932	1	55	0.0	-71.81	415.45	4.32	-67.49
C=CCC(C(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030253960	0	58	0.0	-71.24	429.16	4.84	-66.40
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C[N@@H+]1CCCCC1C(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030253991	0	58	0.0	-67.94	425.74	4.88	-63.06
C[N@H+]1CCCCC1C(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030253991	1	58	0.0	-67.49	427.57	4.94	-62.55
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C[N@@H+]1CCOC(C(=O)N2CCC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030254467	1	56	0.0	-86.03	420.83	3.79	-82.24
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C[N@@H+]1CCC(CC(=O)N2CCC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030254619	0	58	0.0	-77.66	433.23	5.01	-72.65
C[N@H+]1CCC(CC(=O)N2CCC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030254619	1	58	0.0	-76.34	433.13	5.12	-71.22
CCC(C(=O)N1CCC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300030254622	0	57	0.0	-70.91	414.38	4.54	-66.37
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C=CCC1(NC(=O)CCCC[NH+]2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257109	0	55	0.0	-66.48	436.22	5.11	-61.37
C=CCC1(NC(=O)C[N@@H+](C)CC2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257112	1	52	0.0	-68.51	421.18	5.35	-63.16
C=CCC1(NC(=O)C[N@H+](C)CC2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257112	1	52	0.0	-66.28	421.60	5.37	-60.91
C=CCC1(NC(=O)C2CC[NH+](C)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257128	0	49	0.0	-68.81	389.25	3.46	-65.35
C=CCC1(NC(=O)C2=NOC(C[NH+](C)C)=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257174	1	48	0.0	-77.34	402.68	2.69	-74.65
C=CCC1(NC(=O)C2=C(C)N3C=[NH+]C=C3C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257176	0	47	0.0	-66.45	388.70	5.61	-60.84
C=CCC1(NC(=O)C2=CN3C=[NH+]C=C3C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257379	0	44	0.0	-67.74	374.70	5.23	-62.51
C=CCC1(NC(=O)CCCN2C=C[NH+]=C2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257394	1	50	0.0	-63.74	415.86	4.69	-59.05
C=CCC1(NC(=O)CCCC[NH+]2CCOCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257398	1	56	0.0	-70.55	443.16	3.11	-67.44
C=CCC1(NC(=O)C2=CC=C(C[NH+](C)C)C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257402	0	52	0.0	-74.44	422.67	5.23	-69.21
C=CCC1(NC(=O)CC[NH+]2CCOCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257403	1	50	0.0	-67.12	400.16	1.80	-65.32
C=CCC1(NC(=O)CCC[NH+](CCC)CCC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257423	0	60	0.0	-66.63	463.07	5.45	-61.18
C=CCC1(NC(=O)CN2C=[NH+]C=C2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257443	1	44	0.0	-62.05	374.36	4.07	-57.98
C=CCC1(NC(=O)CN2C=[NH+]C3=C2CCCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257455	1	51	0.0	-60.30	416.49	5.85	-54.45
C=CCC1(NC(=O)C2(C[NH+](C)C)CCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257489	0	58	0.0	-54.73	411.41	4.36	-50.37
C=CCC1(NC(=O)CC[N@@H+](C)C2CCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257493	0	58	0.0	-65.62	443.00	5.30	-60.32
C=CCC1(NC(=O)CC[N@H+](C)C2CCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257493	1	58	0.0	-67.29	442.94	5.34	-61.95
C=CCC1(NC(=O)C2CCCC([NH+](C)C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257535	0	55	0.0	-68.14	423.14	4.58	-63.56
C=CCC1(NC(=O)CC2CC[N@@H+](C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257542	0	49	0.0	-68.59	391.71	3.32	-65.27
C=CCC1(NC(=O)CC2CC[N@H+](C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257542	1	49	0.0	-69.08	391.45	3.35	-65.73
C=CCC1(NC(=O)C(CC)[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257559	0	48	0.0	-62.52	374.05	2.79	-59.73
C=CCC1(NC(=O)CC2([NH+](C)C)CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257580	0	55	0.0	-67.67	404.56	4.01	-63.66
C=CCC1(NC(=O)C2=CC3=C[NH+]=CN3C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257639	1	44	0.0	-70.36	374.97	5.25	-65.11
C=CCC1(NC(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257678	1	47	0.0	-75.98	404.23	3.19	-72.79
C=CCC1(NC(=O)CCCC[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257706	0	51	0.0	-69.21	410.26	3.65	-65.56
C=CCC1(NC(=O)CC[N@@H+](C)CCC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257725	0	51	0.0	-65.52	406.48	3.73	-61.79
C=CCC1(NC(=O)CC[N@H+](C)CCC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257725	1	51	0.0	-66.32	406.18	3.67	-62.65
C=CCC1(NC(=O)C[N@@H+](C)CCC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257730	0	48	0.0	-65.02	383.76	3.16	-61.86
C=CCC1(NC(=O)C[N@H+](C)CCC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257730	1	48	0.0	-63.26	384.12	3.19	-60.07
C=CCC1(NC(=O)C23CC[N@H+](C2)CCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257754	0	50	0.0	-68.00	385.82	2.94	-65.06
C=CCC1(NC(=O)C23CC[N@@H+](C2)CCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257754	1	50	0.0	-70.05	386.78	2.99	-67.06
C=CCC1(NC(=O)[C@H]2CCC[N@H+]2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257810	0	46	0.0	-61.11	363.02	2.23	-58.88
C=CCC1(NC(=O)[C@H]2CCC[N@@H+]2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257810	1	46	0.0	-62.05	370.19	2.85	-59.20
C=CCC1(NC(=O)C2CCC3CC(C)C[N@H+]3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257835	0	56	0.0	-60.57	423.89	5.09	-55.48
C=CCC1(NC(=O)C2CCC3CC(C)C[N@@H+]3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257835	1	56	0.0	-63.02	433.21	5.12	-57.90
C=CCC1(NC(=O)C[N@@H+](C)CCCCCC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257881	0	57	0.0	-66.14	448.26	5.51	-60.63
C=CCC1(NC(=O)C[N@H+](C)CCCCCC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257881	1	57	0.0	-64.29	448.62	5.54	-58.75
C=CCC1(NC(=O)C[NH+](CC)CC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257899	0	48	0.0	-62.40	376.47	2.60	-59.80
C=CCC1(NC(=O)C2CCC[N@@H+](CCC)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257926	0	55	0.0	-64.87	428.91	4.81	-60.06
C=CCC1(NC(=O)C2CCC[N@H+](CCC)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257926	1	55	0.0	-64.65	428.92	4.79	-59.86
C=CCC1(NC(=O)C2C[N@H+](C(C)C)CCO2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257943	1	53	0.0	-69.51	417.38	3.29	-66.22
C=CCC1(NC(=O)C2C[N@@H+](C(C)C)CCO2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257943	1	53	0.0	-66.03	416.15	3.29	-62.74
C=CCC1(NC(=O)C[NH+]2CCC(C)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257981	0	52	0.0	-64.71	407.10	4.22	-60.49
C=CCC1(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258007	1	47	0.0	-74.75	404.21	3.21	-71.54
C=CCC1(NC(=O)COC2CC[NH+](C)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258015	0	53	0.0	-71.88	424.85	3.82	-68.06
C=CCC1(NC(=O)C2(C[NH+](C)C)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258032	0	49	0.0	-78.01	386.05	3.54	-74.47
C=CCC1(NC(=O)C2CCC3=C[NH+]=C(C)N3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258033	1	51	0.0	-59.82	412.76	4.54	-55.28
C=CCC1(NC(=O)C2CC[NH+](C(C)C)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258123	0	55	0.0	-66.07	419.91	4.41	-61.66
C=CCC1(NC(=O)C2CC[NH+](C)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258149	0	49	0.0	-68.81	389.25	3.46	-65.35
C=CCC1(NC(=O)C(CC)[NH+](CC)CC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258186	0	54	0.0	-59.13	401.11	3.65	-55.48
C=CCC1(NC(=O)CC[N@@H+](C)CC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258276	0	48	0.0	-65.00	384.99	3.01	-61.99
C=CCC1(NC(=O)CC[N@H+](C)CC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258276	1	48	0.0	-65.15	384.99	2.99	-62.16
C=CCC1(NC(=O)C[N@H+]2CCCC2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258340	0	49	0.0	-61.10	383.62	3.15	-57.95
C=CCC1(NC(=O)C[N@@H+]2CCCC2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258340	1	49	0.0	-62.31	389.63	3.54	-58.77
C=CCC1(NC(=O)C[N@H+]2CCC(C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258343	0	49	0.0	-63.65	391.40	3.41	-60.24
C=CCC1(NC(=O)C[N@@H+]2CCC(C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258343	1	49	0.0	-63.95	389.84	3.47	-60.48
C=CCC1(NC(=O)C2(F)CC[N@@H+](C(C)(C)C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258344	0	55	0.0	-59.28	426.32	4.06	-55.22
C=CCC1(NC(=O)C2(F)CC[N@H+](C(C)(C)C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258344	1	55	0.0	-57.69	426.63	3.84	-53.85
C=CCC1(NC(=O)C2CCN3C(=C[NH+]=C3C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258345	1	51	0.0	-61.44	413.53	4.49	-56.95
C=CCC1(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258347	0	55	0.0	-75.89	445.18	6.06	-69.83
C=CCC1(NC(=O)C[N@H+]2CCC(C)(C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258349	0	52	0.0	-64.06	410.72	4.01	-60.05
C=CCC1(NC(=O)C[N@@H+]2CCC(C)(C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258349	1	52	0.0	-63.81	409.80	3.97	-59.84
C=CCC1(NC(=O)C[N@@H+](C)CC(C)(C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258350	0	54	0.0	-64.90	411.97	4.17	-60.73
C=CCC1(NC(=O)C[N@H+](C)CC(C)(C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258350	1	54	0.0	-62.88	414.87	4.20	-58.68
C=CCC1(NC(=O)C[N@H+](C)CCC2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258351	0	55	0.0	-69.76	443.76	6.28	-63.48
C=CCC1(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258351	1	55	0.0	-67.45	444.03	6.21	-61.24
C=CCC1(NC(=O)[C@H](CC)[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258360	0	48	0.0	-60.65	374.84	2.70	-57.95
C=CCC1(NC(=O)COCC(C)[NH+]2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258367	0	56	0.0	-64.93	443.47	4.49	-60.44
C=CCC1(NC(=O)C2CC[NH+](CC3CC3)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258456	0	56	0.0	-68.20	438.41	5.66	-62.54
C=CCC1(NC(=O)CC2(O)CC[NH+](C)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258586	0	53	0.0	-63.83	412.26	2.18	-61.65
C=CCC1(NC(=O)CC2CCC[N@H+]2CCOC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258592	0	56	0.0	-64.74	433.51	2.84	-61.90
C=CCC1(NC(=O)CC2CCC[N@@H+]2CCOC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258592	1	56	0.0	-64.94	435.85	2.79	-62.15
C=CCC1(NC(=O)C[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258599	0	42	0.0	-65.00	344.90	1.51	-63.49
C=CCC1(NC(=O)C[NH+]2CCC(CO)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258603	0	53	0.0	-64.67	418.31	0.95	-63.72
C=CCC1(NC(=O)C[NH+]2CCCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258607	0	52	0.0	-63.93	395.34	3.86	-60.07
C=CCC1(NC(=O)C[N+]2=CN(C)C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258612	0	44	0.0	-62.48	376.13	5.29	-57.19
C=CCC1(NC(=O)C2CCC[N@@H+](C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258622	0	49	0.0	-67.52	389.24	3.14	-64.38
C=CCC1(NC(=O)C2CCC[N@H+](C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258622	1	49	0.0	-65.70	389.76	3.16	-62.54
C=CCC1(NC(=O)C2CCC[N@@H+]2C2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258627	0	50	0.0	-60.56	401.86	4.27	-56.29
C=CCC1(NC(=O)C2CCC[N@H+]2C2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258627	1	50	0.0	-69.64	382.46	4.37	-65.27
C=CCC1(NC(=O)C(C)[NH+]2CCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258660	1	46	0.0	-62.28	372.99	2.80	-59.48
C=CCC1(NC(=O)CC(CC)C[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258670	0	54	0.0	-65.37	419.74	4.35	-61.02
C=CCC1(NC(=O)C[NH+]2CCC(O)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258717	1	50	0.0	-66.61	397.71	0.29	-66.32
C=CCC1(NC(=O)C[N@@H+](C)C2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258719	0	46	0.0	-61.11	374.16	3.18	-57.93
C=CCC1(NC(=O)C[N@H+](C)C2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258719	1	46	0.0	-60.90	374.29	3.19	-57.71
C=CCC1(NC(=O)C(C)N2CC[NH+](C)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258720	1	54	0.0	-64.68	414.85	1.38	-63.30
C=CCC1(NC(=O)CC2C[NH+](C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258744	0	46	0.0	-64.46	376.33	2.63	-61.83
C=CCC1(NC(=O)C2CC[N@@H+]2C2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258748	0	53	0.0	-66.59	410.10	4.18	-62.41
C=CCC1(NC(=O)C2CC[N@H+]2C2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258748	1	53	0.0	-63.95	406.04	4.24	-59.71
C=CCC1(NC(=O)C2CC[N@H+]2C(C)(C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258756	0	52	0.0	-63.68	379.10	3.38	-60.30
C=CCC1(NC(=O)C2CC[N@@H+]2C(C)(C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258756	1	52	0.0	-68.26	377.78	4.34	-63.92
C=CCC1(NC(=O)C2CCN(C3=CC=[NH+]C=C3)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258766	0	52	0.0	-67.39	419.53	2.21	-65.18
C=CCC1(NC(=O)[C@H](C)[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258769	0	45	0.0	-63.30	356.96	1.96	-61.34
C=CCC1(NC(=O)C[N@H+]2CCCC(CC)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258814	0	55	0.0	-64.41	418.43	4.83	-59.58
C=CCC1(NC(=O)C[N@@H+]2CCCC(CC)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258814	1	55	0.0	-64.50	426.12	4.86	-59.64
C=CCC1(NC(=O)C2=CC=C(C[NH+](C)C)N2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258822	0	50	0.0	-71.02	411.11	3.18	-67.84
C=CCC1(NC(=O)CC2CC3CCC(C2)[NH+]3C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258834	0	56	0.0	-61.32	410.93	4.24	-57.08
C=CCC1(NC(=O)CC(C2=CC=CC=C2)[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258839	0	55	0.0	-66.95	434.38	5.91	-61.04
C=CCC1(NC(=O)CN2C=CSC2=[NH2+])CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258875	0	42	0.0	-62.10	371.60	1.93	-60.17
C=CCC1(NC(=O)CC[N@H+](C)CCO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258886	0	49	0.0	-66.43	395.04	-0.29	-66.72
C=CCC1(NC(=O)CC[N@@H+](C)CCO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258886	1	49	0.0	-64.28	395.46	-0.30	-64.58
C=CCC1(NC(=O)[C@H](C)[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258887	0	45	0.0	-63.30	356.96	1.96	-61.34
C=CCC1(NC(=O)[C@H]2CCCC[N@H+]2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258892	0	49	0.0	-61.99	372.29	3.12	-58.87
C=CCC1(NC(=O)[C@H]2CCCC[N@@H+]2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258892	1	49	0.0	-62.80	386.99	3.33	-59.47
C=CCC1(NC(=O)C2C[N@H+]3CCN2CC3C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258899	0	52	0.0	-69.07	397.18	0.66	-68.41
C=CCC1(NC(=O)C2C[N@@H+]3CCN2CC3C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258899	1	52	0.0	-68.95	397.07	0.63	-68.32
C=CCC1(NC(=O)CC2=CC3=C[NH+]=CN3C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258958	0	47	0.0	-66.89	399.02	6.02	-60.87
C=CCC1(NC(=O)C[N@@H+](C)C2CCSC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258986	0	50	0.0	-71.31	404.02	4.00	-67.31
C=CCC1(NC(=O)C[N@H+](C)C2CCSC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258986	1	50	0.0	-67.27	404.17	4.02	-63.25
C=CCC1(NC(=O)C[NH+]2CCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258987	1	43	0.0	-64.87	354.41	2.06	-62.81
C=CCC1(NC(=O)C2=CC=NC(C[NH+](C)C)=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259020	1	51	0.0	-69.21	419.08	3.56	-65.65
C=CCC1(NC(=O)C=C2CC[N@@H+](C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259021	0	47	0.0	-70.39	382.50	3.40	-66.99
C=CCC1(NC(=O)C=C2CC[N@H+](C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259021	1	47	0.0	-69.38	382.79	3.36	-66.02
C=CCC1(NC(=O)C2C[NH+](C3CCCCC3)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259046	0	56	0.0	-68.27	436.38	5.00	-63.27
C=CCC1(NC(=O)COCC[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259060	0	49	0.0	-68.25	400.77	2.50	-65.75
C=CCC1(NC(=O)CC[N@@H+](C)CCCCC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259067	0	57	0.0	-66.45	449.48	5.29	-61.16
C=CCC1(NC(=O)CC[N@H+](C)CCCCC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259067	1	57	0.0	-67.15	449.18	5.23	-61.92
C=CCC1(NC(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259076	0	53	0.0	-68.20	423.36	3.63	-64.57
C=CCC(C)(C(=O)NC1(CC=C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030259088	0	52	0.0	-66.11	395.51	3.97	-62.14
C=CCC1(NC(=O)C(O)CC[S+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259093	0	48	0.0	-71.42	409.76	1.30	-70.12
C=CCC1(NC(=O)C2CN(C)CC[N@H+](C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259138	0	54	0.0	-66.75	415.33	1.48	-65.27
C=CCC1(NC(=O)C2CN(C)CC[N@@H+](C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259138	1	54	0.0	-66.75	415.33	1.48	-65.27
C=CCC1(NC(=O)C(C)[N@@H+]2CCCC(O)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259139	0	53	0.0	-61.22	413.57	0.84	-60.38
C=CCC1(NC(=O)CC2(O)CCC[N@@H+](C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259164	0	53	0.0	-65.44	402.73	1.92	-63.52
C=CCC1(NC(=O)CC2(O)CCC[N@H+](C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259164	1	53	0.0	-65.44	402.73	1.92	-63.52
C=CCC1(NC(=O)CN2CC(C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259168	0	46	0.0	-64.60	374.60	2.92	-61.68
C=CCC1(NC(=O)C[NH+]2CC(C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259168	1	46	0.0	-64.60	374.60	2.92	-61.68
C=CCC1(NC(=O)CN(C)CCO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259196	0	46	0.0	-63.12	372.97	-0.79	-63.91
C=CCC1(NC(=O)C[N@H+](C)CCO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259196	1	46	0.0	-65.49	372.64	-0.83	-66.32
C=CCC1(NC(=O)C[N@@H+](C)CCO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259196	1	46	0.0	-65.49	372.64	-0.83	-66.32
C=CCC1(NC(=O)C=C2CC3CCC(C2)[NH+]3C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259217	0	54	0.0	-67.52	417.55	4.60	-62.92
C=CCC1(NC(=O)C2C[N@@H+]3CCN2CCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259221	0	52	0.0	-72.38	391.13	1.44	-70.94
C=CCC1(NC(=O)C2C[N@H+]3CCN2CCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259221	1	52	0.0	-72.38	391.13	1.44	-70.94
C=CCC1(NC(=O)C2CCC[N@@H+](CC)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259228	0	52	0.0	-60.24	400.28	4.21	-56.03
C=CCC1(NC(=O)C2CCC[N@H+](CC)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259228	1	52	0.0	-60.24	400.28	4.21	-56.03
C=CCC1(NC(=O)CC(C)C[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259230	0	51	0.0	-68.90	402.08	3.52	-65.38
C=CCC1(NC(=O)C[N@@H+](C)CC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259245	0	45	0.0	-62.96	362.62	2.44	-60.52
C=CCC1(NC(=O)C[N@@H+](CC)C2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259303	0	49	0.0	-60.75	390.83	3.74	-57.01
C=CCC1(NC(=O)CC[NH+](CC)CC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259322	0	51	0.0	-66.09	398.60	3.17	-62.92
C=CCC1(NC(=O)CN2CC(C)(C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259353	0	49	0.0	-64.41	395.13	3.39	-61.02
C=CCC1(NC(=O)C[NH+]2CC(C)(C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259353	1	49	0.0	-64.41	395.13	3.39	-61.02
C=CCC1(NC(=O)CCCC[NH+]2CCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259359	0	58	0.0	-67.80	451.07	5.74	-62.06
C=CCC1(NC(=O)C[N@H+]2CCC(C)(O)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259387	0	50	0.0	-64.02	400.76	0.14	-63.88
C=CCC1(NC(=O)C=CC[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259397	0	46	0.0	-67.66	382.11	3.03	-64.63
C=CCC1(NC(=O)C(C)OCC[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259418	0	52	0.0	-67.39	419.43	3.45	-63.94
C=CCC1(NC(=O)CCOCC[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259430	0	52	0.0	-65.78	421.56	2.32	-63.46
C=CCC1(NC(=O)CN(C)CCOC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259431	0	49	0.0	-64.69	394.61	1.56	-63.13
C=CCC1(NC(=O)C[N@@H+](C)CCOC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259431	1	49	0.0	-63.02	395.22	1.61	-61.41
C=CCC1(NC(=O)C[N@H+](C)CCOC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259431	1	49	0.0	-63.02	395.22	1.61	-61.41
C=CCC1(NC(=O)CC[N@@H+](C)CCCCOC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259459	0	58	0.0	-69.85	461.35	3.52	-66.33
C=CCC1(NC(=O)CC[N@H+](C)CCCCOC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259459	1	58	0.0	-69.85	461.35	3.52	-66.33
C=CCC1(NC(=O)CCC(C)[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259482	0	51	0.0	-70.03	398.50	3.25	-66.78
C=CCC1(NC(=O)C2CCN2CC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259493	0	46	0.0	-63.63	375.77	2.90	-60.73
C=CCC1(NC(=O)C2CC[N@H+]2CC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259493	1	46	0.0	-63.45	367.85	2.54	-60.91
C=CCC1(NC(=O)C2CC[N@@H+]2CC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259493	1	46	0.0	-63.45	367.85	2.54	-60.91
C=CCC1(NC(=O)C2CCC[N@@H+](C(C)C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259507	0	55	0.0	-58.70	417.34	4.75	-53.95
C=CCC1(NC(=O)C2CCC[N@H+](C(C)C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259507	1	55	0.0	-58.70	417.34	4.75	-53.95
C=CCC1(NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259513	0	55	0.0	-65.06	439.79	5.75	-59.31
C=CCC1(NC(=O)C[N@H+]2CCCC2CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259522	0	50	0.0	-62.64	397.59	0.28	-62.36
C=CCC1(NC(=O)C2CC3CCCC[N@@H+]3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259546	0	53	0.0	-63.53	412.83	4.46	-59.07
C=CCC1(NC(=O)C2CC3CCCC[N@H+]3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259546	1	53	0.0	-63.53	412.83	4.46	-59.07
C=CCC(C(=O)NC1(CC=C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030259589	0	49	0.0	-68.97	393.12	3.58	-65.39
C=CCC1(NC(=O)C2CC(C)(C)C[N@H+]2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259603	0	52	0.0	-62.98	411.17	3.90	-59.08
C=CCC1(NC(=O)CCCCC[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259608	0	54	0.0	-69.51	431.76	4.43	-65.08
C=CCC1(NC(=O)C2C[N@H+]3CCN2C(C)C3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259654	0	52	0.0	-65.47	397.32	0.76	-64.71
C=CCC1(NC(=O)C(CCC)[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259655	0	51	0.0	-67.36	399.34	4.05	-63.31
C=CCC1(NC(=O)CSCC[NH+](CC)CC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259698	0	55	0.0	-70.28	443.13	4.57	-65.71
C=CCC1(NC(=O)C2CCCC[N@H+]2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259707	0	49	0.0	-61.26	375.33	3.03	-58.23
C=CCC1(NC(=O)CC2=CC[N@H+](C)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259756	0	50	0.0	-64.84	403.26	3.90	-60.94
C=CCC1(NC(=O)CC2=CC[N@@H+](C)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259756	1	50	0.0	-64.84	403.26	3.90	-60.94
C=CCC1(NC(=O)CC2([NH+]3CCCC3)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259766	0	53	0.0	-62.98	409.99	4.46	-58.52
C=CCC1(NC(=O)C2=CC=C(C[NH+](C)C)O2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259820	1	49	0.0	-72.37	409.08	3.57	-68.80
C=CCC1(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259825	0	51	0.0	-72.69	418.49	3.73	-68.96
C=CCC1(NC(=O)C=CC[NH+]2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259840	0	50	0.0	-67.47	405.80	4.09	-63.38
C=CCC1(NC(=O)C2CC[NH+](C3CC3)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259865	0	53	0.0	-66.38	413.58	4.70	-61.68
C=CCC1(NC(=O)CC[NH+]2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259887	0	49	0.0	-66.59	391.26	3.36	-63.23
C=CCC1(NC(=O)C2C[NH+]3CCN2CC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259933	0	49	0.0	-63.84	380.96	0.21	-63.63
C=CCC1(NC(=O)C[N@@H+]2CC3CCC2C3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259956	0	50	0.0	-61.33	391.62	3.90	-57.43
C=CCC1(NC(=O)C[N@H+]2CC3CCC2C3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259956	1	50	0.0	-61.01	388.97	3.44	-57.57
C=CCC1(NC(=O)CC2CC[NH+](C(C)C)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259969	0	58	0.0	-62.39	439.39	5.03	-57.36
C=CCC1(NC(=O)C=C2C[NH+]3CCC2CC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260015	0	51	0.0	-65.46	400.84	4.25	-61.21
C=CCC1(NC(=O)C[N@@H+]2CC3C=CC2C3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260027	1	48	0.0	-61.49	383.99	3.66	-57.83
C=CCC1(NC(=O)C[N@H+]2CC3C=CC2C3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260027	1	48	0.0	-62.13	384.00	3.73	-58.40
C=CCC1(NC(=O)C(C[NH+](C)C)C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260057	0	55	0.0	-63.22	441.24	5.88	-57.34
C=CCC1(NC(=O)CN2CC[NH+](CC)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260059	0	54	0.0	-65.51	420.78	1.88	-63.63
C=CCC1(NC(=O)C(C)C[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260080	0	48	0.0	-67.49	382.73	3.00	-64.49
C=CCC1(NC(=O)CC2CCCC[N@H+]2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260171	0	52	0.0	-57.58	396.37	3.79	-53.79
C=CCC1(NC(=O)CC2CCCC[N@@H+]2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260171	1	52	0.0	-62.74	396.27	3.78	-58.96
C=CCC1(NC(=O)C2=CC3=C(C)[NH+]=CN3C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260189	1	47	0.0	-68.14	396.88	5.81	-62.33
C=CCC1(NC(=O)C(C)[NH+]2CC(C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260190	1	49	0.0	-60.31	383.92	3.24	-57.07
C=CCC1(NC(=O)C[N@H+]2CCC2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260194	1	46	0.0	-63.27	370.37	2.55	-60.72
C=CCC1(NC(=O)C[N@@H+]2CCC2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260194	1	46	0.0	-63.02	376.43	2.83	-60.19
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C=CCC1(NC(=O)C2C[N@H+](C)CC(C)O2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260231	1	50	0.0	-56.78	396.71	2.72	-54.06
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C=CCC1(NC(=O)C2CCCC[N@H+]2CCC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260246	0	55	0.0	-62.89	416.62	4.49	-58.40
C=CCC1(NC(=O)C2CCCC[N@@H+]2CCC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260246	1	55	0.0	-61.61	425.85	4.73	-56.88
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C=CCC1(NC(=O)CC[NH+]2CCN(CC)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260251	1	57	0.0	-65.30	443.50	2.45	-62.85
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C=CCC1(NC(=O)C2CC[NH+](CC(C)C)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260299	0	58	0.0	-67.74	445.86	5.50	-62.24
C=CCC1(NC(=O)CN2CCC([NH+](C)C)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260318	0	57	0.0	-67.98	437.86	2.43	-65.55
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C=CCC1(NC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260376	1	53	0.0	-63.33	414.79	1.00	-62.33
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C#CC[N@@H+]1CCCCC1C(=O)NC1(CC=C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260384	1	51	0.0	-63.03	402.76	4.30	-58.73
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C=CCC1(NC(=O)CN2CC[NH+](C)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260390	1	51	0.0	-65.80	403.51	1.23	-64.57
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C=CCC1(NC(=O)CSC(N)=[NH2+])CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260428	0	40	0.0	-65.07	353.42	-1.33	-66.40
C=CCC1(NC(=O)CC2COCCN2CC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260471	0	53	0.0	-65.67	407.85	1.93	-63.74
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C=CCC1(NC(=O)C2CC3CCC(C2)[NH+]3C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260550	0	53	0.0	-57.80	373.74	4.62	-53.18
C=CCC1(NC(=O)C(C)[NH+]2CCSCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260684	1	50	0.0	-65.86	403.58	3.73	-62.13
C=CCC1(NC(=O)C2C[NH+](C3CCOCC3)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260688	0	54	0.0	-67.53	428.14	2.67	-64.86
C=CCC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260698	1	46	0.0	-65.79	364.08	2.27	-63.52
C=CCC1(NC(=O)CC[N@@H+]2CCC(F)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260707	1	49	0.0	-70.16	398.72	3.55	-66.61
C=CCC1(NC(=O)CC[NH+]2CCCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260727	0	55	0.0	-67.00	418.55	4.37	-62.63
C=CCC1(NC(=O)C[NH+]2CCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260730	0	49	0.0	-63.11	386.72	3.59	-59.52
C=CCC1(NC(=O)C2CC[N@H+](C)C2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260738	0	49	0.0	-67.12	390.80	3.10	-64.02
C=CCC1(NC(=O)C2CC[N@@H+](C)C2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260738	1	49	0.0	-66.86	389.34	3.38	-63.48
C=CCC1(NC(=O)CCC2CCCC[N@H+]2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260741	0	55	0.0	-65.14	425.86	4.66	-60.48
C=CCC1(NC(=O)CCC2CCCC[N@@H+]2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260741	1	55	0.0	-66.20	418.53	4.47	-61.73
C=CCC1(NC(=O)C2CC[N@@H+]3CCOCC23)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260772	0	51	0.0	-62.87	394.74	2.07	-60.80
C=CCC1(NC(=O)C2CC[N@H+]3CCOCC23)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260772	1	51	0.0	-66.14	403.75	1.82	-64.32
C=CCC1(NC(=O)C2=CN3C(=C[NH+]=C3C)C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260779	0	47	0.0	-63.82	396.12	5.01	-58.81
C=CCC1(NC(=O)CC2COCCN2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260801	0	50	0.0	-66.37	387.70	1.39	-64.98
C=CCC1(NC(=O)CC2COCC[N@H+]2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260801	1	50	0.0	-69.45	395.72	1.55	-67.90
C=CCC1(NC(=O)CC2COCC[N@@H+]2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260801	1	50	0.0	-66.37	387.70	1.39	-64.98
C=CCC1(NC(=O)CCC2=[NH+]C(C)=C(C)N2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260812	1	50	0.0	-60.31	414.82	3.00	-57.31
C=CCC1(NC(=O)C2=CC=CC(CC[NH+](C)C)=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260821	0	55	0.0	-71.95	445.17	6.06	-65.89
C=CCC1(NC(=O)C2CCN2CC2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260824	0	53	0.0	-65.40	435.88	5.83	-59.57
C=CCC1(NC(=O)C2CC[N@@H+]2CC2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260824	1	53	0.0	-66.67	436.60	5.76	-60.91
C=CCC1(NC(=O)C2CC[N@H+]2CC2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260824	1	53	0.0	-65.40	435.88	5.83	-59.57
C=CCC1(NC(=O)C2CCC[N@@H+](CC(C)C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260828	0	58	0.0	-65.18	445.83	5.24	-59.94
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C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@H+]2C)C1	REAL300030260993	0	46	0.0	-60.98	371.72	2.52	-58.46
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@@H+]2C)C1	REAL300030260993	1	46	0.0	-76.33	365.62	2.27	-74.06
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[N@H+](C)CCO2)C1	REAL300030261019	1	47	0.0	-86.93	379.84	2.23	-84.70
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[N@@H+](C)CCO2)C1	REAL300030261019	1	47	0.0	-71.47	372.97	2.00	-69.47
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCCN2C=C[NH+]=C2C)C1	REAL300030261192	1	50	0.0	-72.24	417.49	4.85	-67.39
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300030261196	1	56	0.0	-80.45	444.82	3.44	-77.01
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(C[NH+](C)C)C=C2)C1	REAL300030261202	0	52	0.0	-87.79	420.90	4.93	-82.86
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[NH+]2CCOCC2)C1	REAL300030261203	1	50	0.0	-77.48	401.78	1.97	-75.51
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)(C2=CC=CC=C2)[NH+](C)C)C1	REAL300030261223	0	55	0.0	-85.64	415.61	5.19	-80.45
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC[NH+](CCC)CCC)C1	REAL300030261231	0	60	0.0	-77.15	464.60	5.78	-71.37
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C2=CC=CC=C2)[N@@H+](C)CC)C1	REAL300030261232	0	55	0.0	-67.84	439.02	5.94	-61.90
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C2=CC=CC=C2)[N@H+](C)CC)C1	REAL300030261232	1	55	0.0	-64.83	438.99	6.08	-58.75
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300030261250	0	50	0.0	-68.72	385.76	3.58	-65.14
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300030261268	1	44	0.0	-83.13	372.40	5.01	-78.12
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCCC([NH+](C)C)C2)C1	REAL300030261348	0	55	0.0	-72.85	424.22	4.36	-68.49
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2CC[N@@H+](C)C2)C1	REAL300030261355	0	49	0.0	-67.62	393.57	3.43	-64.19
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2CC[N@H+](C)C2)C1	REAL300030261355	1	49	0.0	-77.66	392.92	3.53	-74.13
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C[NH+]=CC=C2N(C)C)C1	REAL300030261369	0	48	0.0	-83.81	396.50	2.07	-81.74
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(CC)[NH+](C)C)C1	REAL300030261375	0	48	0.0	-73.24	378.87	3.05	-70.19
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)C1	REAL300030261385	1	47	0.0	-87.52	404.12	3.33	-84.19
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC3CC(C)C[N@H+]3C2)C1	REAL300030261437	0	56	0.0	-71.95	430.14	5.01	-66.94
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC3CC(C)C[N@@H+]3C2)C1	REAL300030261437	1	56	0.0	-66.52	425.35	4.96	-61.56
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCCC[NH+](C)C)C1	REAL300030261475	0	51	0.0	-78.49	411.92	3.99	-74.50
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C(C)C)[NH+](C)C)C1	REAL300030261499	0	51	0.0	-69.28	391.30	3.61	-65.67
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[N@@H+](C)CCC)C1	REAL300030261501	0	51	0.0	-77.41	408.41	3.86	-73.55
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[N@H+](C)CCC)C1	REAL300030261501	1	51	0.0	-77.14	408.21	3.81	-73.33
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+](C)CCC)C1	REAL300030261508	0	48	0.0	-73.90	386.03	3.32	-70.58
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+](C)CCC)C1	REAL300030261508	1	48	0.0	-74.65	385.79	3.25	-71.40
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300030261539	0	50	0.0	-76.22	383.72	2.79	-73.43
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300030261539	1	50	0.0	-80.42	381.87	2.79	-77.63
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+](C)CCCCCC)C1	REAL300030261593	0	57	0.0	-75.77	450.87	5.60	-70.17
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+](C)CCCCCC)C1	REAL300030261593	1	57	0.0	-75.84	450.28	5.60	-70.24
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C(C)C)[NH+](CC)CC)C1	REAL300030261604	0	57	0.0	-66.47	412.53	3.89	-62.58
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCC(C)CC2)C1	REAL300030261649	0	52	0.0	-74.25	409.20	4.34	-69.91
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300030261681	1	47	0.0	-82.46	401.38	2.98	-79.48
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)COC2CC[NH+](C)CC2)C1	REAL300030261691	0	53	0.0	-82.58	426.48	4.00	-78.58
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300030261764	0	53	0.0	-63.03	413.59	4.50	-58.53
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300030261764	1	53	0.0	-76.93	411.69	4.46	-72.47
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(C[NH+](C)C)CC2)C1	REAL300030261780	0	49	0.0	-81.80	394.92	3.63	-78.17
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC3=C[NH+]=C(C)N3C2)C1	REAL300030261781	1	51	0.0	-68.64	411.14	4.52	-64.12
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[NH+](C(C)C)CC2)C1	REAL300030261793	0	55	0.0	-77.23	422.47	4.37	-72.86
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[N@@H+](C)CC)C1	REAL300030261833	0	48	0.0	-76.72	386.91	3.12	-73.60
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[N@H+](C)CC)C1	REAL300030261833	1	48	0.0	-76.46	386.71	3.06	-73.40
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)(C)[NH+]2CCCCC2)C1	REAL300030261869	0	55	0.0	-77.15	411.75	4.81	-72.34
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300030261888	0	50	0.0	-87.17	386.83	3.62	-83.55
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[NH+](C)CC2)C1	REAL300030261990	0	49	0.0	-80.05	392.21	3.42	-76.63
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1	REAL300030262013	0	51	0.0	-69.97	389.37	3.72	-66.25
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[NH+](CC3CC3)CC2)C1	REAL300030262115	0	56	0.0	-83.67	440.08	5.57	-78.10
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(F)C[NH+](CC)CC)C1	REAL300030262163	0	51	0.0	-75.79	405.03	3.58	-72.21
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(C[NH+](C)C)C=CS2)C1	REAL300030262164	0	49	0.0	-64.88	407.73	4.21	-60.67
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@@H+](CC(C)C)C2)C1	REAL300030262211	0	55	0.0	-74.08	431.25	4.87	-69.21
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@H+](CC(C)C)C2)C1	REAL300030262211	1	55	0.0	-62.66	428.23	4.65	-58.01
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2([NH+](C)C)CCC2)C1	REAL300030262215	0	49	0.0	-69.07	376.57	2.94	-66.13
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(CC)[NH+](CC)CC)C1	REAL300030262254	0	54	0.0	-66.55	410.73	4.12	-62.43
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+]2CCCC2C)C1	REAL300030262286	0	49	0.0	-71.08	385.53	3.25	-67.83
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+]2CCCC2C)C1	REAL300030262286	1	49	0.0	-68.49	385.18	3.31	-65.18
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCN2C=C[NH+]=C2C(C)C)C1	REAL300030262385	1	53	0.0	-69.57	432.08	5.00	-64.57
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)[NH+]2CCCCCC2)C1	REAL300030262392	0	55	0.0	-70.07	415.95	4.22	-65.85
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCCC[N@H+]2C(C)C)C1	REAL300030262395	0	55	0.0	-64.81	418.45	4.52	-60.29
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCCC[N@@H+]2C(C)C)C1	REAL300030262395	1	55	0.0	-67.23	419.29	4.41	-62.82
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@H+]2C(C)C)C1	REAL300030262430	0	52	0.0	-63.17	397.22	4.11	-59.06
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@@H+]2C(C)C)C1	REAL300030262430	1	52	0.0	-69.80	404.93	3.96	-65.84
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(CN2C=CC=N2)[NH+](C)C)C1	REAL300030262437	1	52	0.0	-84.17	418.85	3.66	-80.51
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2CCC[N@H+]2C(C)C)C1	REAL300030262443	0	55	0.0	-55.02	416.73	3.76	-51.26
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2CCC[N@@H+]2C(C)C)C1	REAL300030262443	1	55	0.0	-67.40	415.07	4.03	-63.37
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1	REAL300030262444	0	56	0.0	-60.09	426.71	5.28	-54.81
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@H+]2C2CCCC2)C1	REAL300030262444	1	56	0.0	-70.22	431.26	5.34	-64.88
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1	REAL300030262471	0	51	0.0	-74.48	390.73	3.50	-70.98
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+]2CCC(C)C2)C1	REAL300030262508	0	49	0.0	-73.20	392.99	3.54	-69.66
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+]2CCC(C)C2)C1	REAL300030262508	1	49	0.0	-73.38	392.48	3.53	-69.85
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(F)CC[N@@H+](C(C)(C)C)C2)C1	REAL300030262509	0	55	0.0	-70.54	426.29	4.19	-66.35
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(F)CC[N@H+](C(C)(C)C)C2)C1	REAL300030262509	1	55	0.0	-71.66	426.45	4.09	-67.57
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCN3C(=C[NH+]=C3C)C2)C1	REAL300030262511	1	51	0.0	-71.34	410.51	4.58	-66.76
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(CC[NH+](C)C)C=C2)C1	REAL300030262513	0	55	0.0	-89.60	443.35	5.78	-83.82
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1	REAL300030262515	0	52	0.0	-62.55	411.67	3.87	-58.68
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1	REAL300030262515	1	52	0.0	-73.55	412.13	4.10	-69.45
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+](C)CC(C)(C)C)C1	REAL300030262516	0	54	0.0	-73.81	414.82	4.25	-69.56
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+](C)CC(C)(C)C)C1	REAL300030262516	1	54	0.0	-70.69	416.57	4.46	-66.23
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+](C)CCC2=CC=CC=C2)C1	REAL300030262517	0	55	0.0	-78.04	445.69	6.28	-71.76
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+](C)CCC2=CC=CC=C2)C1	REAL300030262517	1	55	0.0	-77.98	446.28	6.28	-71.70
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@H](CC)[NH+](C)C)C1	REAL300030262529	0	48	0.0	-75.18	378.42	2.96	-72.22
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)COCC(C)[NH+]2CCCC2)C1	REAL300030262537	0	56	0.0	-70.30	445.15	4.74	-65.56
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCN(C)C2=CC=[NH+]C=C2)C1	REAL300030262710	0	51	0.0	-73.93	421.24	3.61	-70.32
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2C=C[NH+]=C2C)C1	REAL300030262843	1	44	0.0	-70.30	376.55	3.46	-66.84
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)C[NH+]2CCOCC2)C1	REAL300030262845	0	53	0.0	-65.90	415.41	2.55	-63.35
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC[NH+]2CCCCC2)C1	REAL300030262867	0	55	0.0	-74.47	432.01	5.20	-69.27
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NOC(C[NH+](C)C)=C2)C1	REAL300030262890	1	48	0.0	-79.69	402.61	2.85	-76.84
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(C)N3C=[NH+]C=C3C=C2)C1	REAL300030262892	0	47	0.0	-71.87	397.10	5.59	-66.28
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2C=C[NH+]=C2C(C)C)C1	REAL300030262946	1	50	0.0	-69.66	412.90	4.57	-65.09
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300030263003	0	53	0.0	-66.58	408.85	4.51	-62.07
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300030263003	1	53	0.0	-69.74	400.20	4.09	-65.65
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[N@H+](CC)CCO2)C1	REAL300030263041	1	50	0.0	-68.15	389.90	2.74	-65.41
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[N@@H+](CC)CCO2)C1	REAL300030263041	1	50	0.0	-72.60	392.75	2.46	-70.14
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300030263126	0	44	0.0	-76.67	372.11	5.00	-71.67
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2C=[NH+]C=C2C)C1	REAL300030263131	1	44	0.0	-75.23	375.50	4.20	-71.03
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN(CC[NH+](C)C)N=C2)C1	REAL300030263137	0	52	0.0	-82.50	426.39	3.03	-79.47
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NN(CC[NH+](C)C)C=C2)C1	REAL300030263153	0	52	0.0	-88.79	429.13	3.40	-85.39
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	REAL300030263160	0	49	0.0	-79.17	383.95	3.14	-76.03
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	REAL300030263160	1	49	0.0	-60.79	388.11	3.22	-57.57
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC(C)N2C=C[NH+]=C2CC)C1	REAL300030263163	1	53	0.0	-70.11	432.77	5.11	-65.00
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	REAL300030263166	0	52	0.0	-79.04	401.80	3.45	-75.59
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1	REAL300030263166	1	52	0.0	-62.20	406.80	3.53	-58.67
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2C(C)CCC2C)C1	REAL300030263191	0	52	0.0	-71.09	403.71	3.86	-67.23
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC[NH+]2CCCC2)C1	REAL300030263198	0	52	0.0	-73.96	414.75	4.37	-69.59
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC(C[NH+](C)C)=C2)C1	REAL300030263199	0	52	0.0	-76.60	420.34	4.99	-71.61
C#CC[NH+]1CCC(C(=O)N2CC(CC=C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030263207	0	51	0.0	-82.60	412.02	4.54	-78.06
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[NH+]2CCCCC2)C1	REAL300030263208	0	52	0.0	-76.33	410.56	4.29	-72.04
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC=C2C[NH+](C)C)C1	REAL300030263213	0	52	0.0	-58.36	415.83	5.41	-52.95
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCCC[N@H+]2CC)C1	REAL300030263223	0	52	0.0	-72.21	406.53	4.07	-68.14
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCCC[N@@H+]2CC)C1	REAL300030263223	1	52	0.0	-58.95	393.69	3.42	-55.53
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C(C)C)[NH+]2CCCCC2)C1	REAL300030263224	0	58	0.0	-70.08	433.96	5.64	-64.44
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C2=CC=CC=C2)[NH+](C)C)C1	REAL300030263227	1	52	0.0	-74.34	416.75	5.14	-69.20
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2C=[NH+]C3=C2CCCC3)C1	REAL300030263236	1	51	0.0	-75.12	418.40	5.97	-69.15
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(C[NH+](C)C)CCCCC2)C1	REAL300030263285	0	58	0.0	-73.51	423.42	5.05	-68.46
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC=C2CC[NH+](C)C)C1	REAL300030263286	0	55	0.0	-56.60	440.44	5.69	-50.91
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[N@@H+](C)C2CCCCC2)C1	REAL300030263292	0	58	0.0	-75.07	444.92	5.54	-69.53
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[N@H+](C)C2CCCCC2)C1	REAL300030263292	1	58	0.0	-77.01	445.03	5.45	-71.56
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2([NH+](C)C)CCCC2)C1	REAL300030263295	0	55	0.0	-78.98	410.66	4.32	-74.66
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+](C)C2CCC2)C1	REAL300030263557	0	49	0.0	-71.80	393.24	3.83	-67.97
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+](C)C2CCC2)C1	REAL300030263557	1	49	0.0	-72.82	392.79	3.83	-68.99
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)[NH+]2C(C)CCC2C)C1	REAL300030263594	0	55	0.0	-67.16	416.19	4.10	-63.06
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300030263614	0	55	0.0	-75.80	437.11	5.22	-70.58
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)C1	REAL300030263617	1	52	0.0	-78.23	423.46	5.49	-72.74
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+](C)CC2=CC=CC=C2)C1	REAL300030263617	1	52	0.0	-79.30	423.27	5.44	-73.86
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[NH+](C)CC2)C1	REAL300030263635	0	49	0.0	-80.05	392.21	3.42	-76.63
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@H]2CCC[N@H+]2C)C1	REAL300030263712	0	46	0.0	-70.43	365.93	2.38	-68.05
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1	REAL300030263712	1	46	0.0	-70.85	369.65	2.74	-68.11
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CC=C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030263738	1	48	0.0	-73.77	392.27	3.52	-70.25
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CC=C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030263738	1	48	0.0	-73.41	395.54	4.01	-69.40
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC2CCC[N@H+]2C)C1	REAL300030263748	0	52	0.0	-74.09	408.35	3.86	-70.23
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC2CCC[N@@H+]2C)C1	REAL300030263748	1	52	0.0	-75.17	408.22	3.94	-71.23
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300030263762	0	53	0.0	-92.66	396.35	3.66	-89.00
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300030263770	0	53	0.0	-57.25	406.55	4.25	-53.00
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300030263770	1	53	0.0	-70.01	412.88	4.74	-65.27
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@@H+](CCC)C2)C1	REAL300030263876	0	55	0.0	-73.30	425.67	4.74	-68.56
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@H+](CCC)C2)C1	REAL300030263876	1	55	0.0	-63.95	427.52	4.66	-59.29
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[N@H+](C(C)C)CCO2)C1	REAL300030263900	0	53	0.0	-72.61	416.57	3.17	-69.44
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[N@@H+](C(C)C)CCO2)C1	REAL300030263900	1	53	0.0	-78.88	409.31	3.28	-75.60
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1	REAL300030263921	0	56	0.0	-74.68	422.42	2.50	-72.18
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCCC[N@H+]2C)C1	REAL300030263942	0	49	0.0	-73.34	388.37	3.39	-69.95
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300030263942	1	49	0.0	-73.63	375.86	3.07	-70.56
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@H+]2CC(C)C)C1	REAL300030263977	0	55	0.0	-62.78	424.03	4.19	-58.59
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@@H+]2CC(C)C)C1	REAL300030263977	1	55	0.0	-71.30	428.69	4.92	-66.38
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300030263998	0	53	0.0	-74.91	420.03	1.02	-73.89
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=C2CC3CCC(C2)[NH+]3C)C1	REAL300030264040	0	54	0.0	-75.21	420.01	4.86	-70.35
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@H+](C)C2C)C1	REAL300030264062	0	49	0.0	-75.10	390.66	3.19	-71.91
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@@H+](C)C2C)C1	REAL300030264062	1	49	0.0	-73.02	390.28	3.24	-69.78
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC2CCCC[N@H+]2C)C1	REAL300030264066	0	55	0.0	-74.85	428.15	4.81	-70.04
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC2CCCC[N@@H+]2C)C1	REAL300030264066	1	55	0.0	-73.15	428.01	4.77	-68.38
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC3=C(CCC3)[NH+]=C2N)C1	REAL300030264111	1	49	0.0	-66.66	401.00	2.69	-63.97
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@H+]2C(C)(C)C)C1	REAL300030264203	0	52	0.0	-70.97	408.48	3.61	-67.36
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@@H+]2C(C)(C)C)C1	REAL300030264203	1	52	0.0	-59.99	408.19	3.35	-56.64
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCN(C3=CC=[NH+]C=C3)C2)C1	REAL300030264223	0	52	0.0	-74.95	422.74	2.38	-72.57
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300030264228	0	45	0.0	-74.02	364.71	2.20	-71.82
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=NC(C[NH+](C)C)=C2)C1	REAL300030264250	1	51	0.0	-73.47	416.35	3.15	-70.32
C=CCC(C)(C(=O)N1CC(CC=C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030264256	0	52	0.0	-79.18	394.89	3.55	-75.63
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CSCC[NH+](CC)CC)C1	REAL300030264290	0	55	0.0	-78.20	444.84	4.94	-73.26
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(N)C3=CC=CC=C3[NH+]=C2)C1	REAL300030264291	1	48	0.0	-72.65	397.17	2.02	-70.63
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[NH+]2CCCC2)C1	REAL300030264296	0	49	0.0	-73.98	394.84	3.68	-70.30
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+](C)CCO)C1	REAL300030264306	1	46	0.0	-72.05	374.59	-0.62	-72.67
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+](C)CCO)C1	REAL300030264306	1	46	0.0	-74.62	374.69	-0.71	-75.33
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300030264352	0	52	0.0	-91.59	391.40	1.47	-90.12
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300030264352	1	52	0.0	-88.81	392.10	1.50	-87.31
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)[NH+]2CCSCC2)C1	REAL300030264389	1	50	0.0	-75.37	405.04	3.80	-71.57
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=CC[N@H+](C)CC2)C1	REAL300030264444	0	50	0.0	-73.48	405.58	4.29	-69.19
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=CC[N@@H+](C)CC2)C1	REAL300030264444	1	50	0.0	-71.11	405.96	4.22	-66.89
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(O)CC[S+](C)C)C1	REAL300030264464	0	48	0.0	-87.44	409.08	1.35	-86.09
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(C)CC(O)C[N@H+]2C)C1	REAL300030264492	0	50	0.0	-78.94	384.52	-0.32	-79.26
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(C)CC(O)C[N@@H+]2C)C1	REAL300030264492	1	50	0.0	-70.32	384.34	-0.66	-70.98
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CN(C)CC[N@H+](C)C2)C1	REAL300030264510	0	54	0.0	-63.42	416.73	1.57	-61.85
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CN(C)CC[N@@H+](C)C2)C1	REAL300030264510	1	54	0.0	-58.70	419.48	1.46	-57.24
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)[N@@H+]2CCCC(O)C2)C1	REAL300030264511	0	53	0.0	-57.44	414.56	0.77	-56.67
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)[N@H+]2CCCC(O)C2)C1	REAL300030264511	1	53	0.0	-71.45	415.10	0.90	-70.55
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(N)[NH+]=CC3=C2CCC3)C1	REAL300030264548	0	49	0.0	-69.31	407.37	2.70	-66.61
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2(O)CCC[N@@H+](C)C2)C1	REAL300030264556	0	53	0.0	-67.35	407.34	1.99	-65.36
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2(O)CCC[N@H+](C)C2)C1	REAL300030264556	1	53	0.0	-66.74	417.42	2.26	-64.48
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CC(C)C2)C1	REAL300030264563	1	46	0.0	-74.97	377.85	2.94	-72.03
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@@H+](CC)C2)C1	REAL300030264571	0	52	0.0	-61.44	400.23	4.11	-57.33
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@H+](CC)C2)C1	REAL300030264571	1	52	0.0	-70.99	406.14	3.93	-67.06
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=CC=C[NH+]=C2N)C1	REAL300030264585	0	45	0.0	-68.91	381.39	1.66	-67.25
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300030264601	0	50	0.0	-76.65	397.36	3.73	-72.92
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300030264601	1	50	0.0	-69.81	396.19	4.22	-65.59
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300030264664	0	50	0.0	-76.43	408.68	4.34	-72.09
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300030264696	0	53	0.0	-76.78	409.65	4.45	-72.33
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+](C)CC)C1	REAL300030264754	0	45	0.0	-74.41	364.29	2.51	-71.90
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2CC3C=CC2C3)C1	REAL300030264833	0	48	0.0	-62.28	385.71	3.49	-58.79
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300030264833	1	48	0.0	-61.71	385.89	3.71	-58.00
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300030264833	1	48	0.0	-61.71	385.89	3.71	-58.00
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCNC2=CC=C(C)C=[NH+]2)C1	REAL300030264858	1	51	0.0	-71.81	425.42	3.26	-68.55
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[NH+]3CCN2CC3)C1	REAL300030264942	0	49	0.0	-88.24	381.22	0.16	-88.08
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300030265003	0	53	0.0	-69.87	397.87	4.17	-65.70
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[N@H+]2CCCC3)C1	REAL300030265003	1	53	0.0	-69.50	396.78	3.94	-65.56
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300030265015	0	51	0.0	-69.38	391.72	3.82	-65.56
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300030265015	1	51	0.0	-70.06	391.68	3.66	-66.40
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)OCC[NH+](C)C)C1	REAL300030265029	0	52	0.0	-69.71	419.69	3.48	-66.23
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCOCC[NH+](C)C)C1	REAL300030265042	0	52	0.0	-72.95	423.29	2.74	-70.21
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+](C)CCOC)C1	REAL300030265044	1	49	0.0	-74.15	396.95	1.69	-72.46
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+](C)CCOC)C1	REAL300030265044	1	49	0.0	-72.27	396.84	1.78	-70.49
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[NH+](C3CCOC3)C2)C1	REAL300030265046	0	51	0.0	-80.24	412.03	2.25	-77.99
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC(C)[NH+](C)C)C1	REAL300030265051	0	51	0.0	-74.80	403.81	3.58	-71.22
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=C2CC[NH+](C)CC2)C1	REAL300030265081	0	50	0.0	-73.35	400.46	4.32	-69.03
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+](CC)C2CC2)C1	REAL300030265094	0	49	0.0	-69.64	395.20	3.88	-65.76
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+](CC)C2CC2)C1	REAL300030265094	1	49	0.0	-69.83	388.05	3.48	-66.35
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2([NH+](C)C)CCCSC2)C1	REAL300030265099	0	53	0.0	-85.67	404.76	4.49	-81.18
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[N@H+]3CCN2C(C)C3)C1	REAL300030265114	0	52	0.0	-88.19	398.63	0.78	-87.41
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[N@@H+]3CCN2C(C)C3)C1	REAL300030265114	1	52	0.0	-79.20	396.83	0.73	-78.47
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CC(C2)C[N@H+]3C)C1	REAL300030265153	0	47	0.0	-67.03	375.15	2.84	-64.19
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CC(C2)C[N@@H+]3C)C1	REAL300030265153	1	47	0.0	-72.07	378.19	2.92	-69.15
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=CC2=CC=C(N)[NH+]=C2C)C1	REAL300030265165	1	49	0.0	-76.21	411.27	2.50	-73.71
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300030265174	0	50	0.0	-72.10	393.82	3.97	-68.13
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300030265174	1	50	0.0	-71.83	391.34	3.77	-68.06
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2CC[NH+](C(C)C)CC2)C1	REAL300030265192	0	58	0.0	-71.34	444.03	5.52	-65.82
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)C[NH+](C)C)C1	REAL300030265208	0	48	0.0	-78.25	386.58	3.03	-75.22
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2([NH+](C)C)CC2)C1	REAL300030265229	0	46	0.0	-79.64	370.43	2.90	-76.74
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@@H](C)[NH+](C)C)C1	REAL300030265262	0	45	0.0	-72.02	364.73	2.29	-69.73
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@H+]2CC)C1	REAL300030265276	1	46	0.0	-74.99	378.18	2.82	-72.17
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@@H+]2CC)C1	REAL300030265276	1	46	0.0	-63.30	378.44	2.61	-60.69
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@@H+](C(C)C)C2)C1	REAL300030265294	0	55	0.0	-72.93	423.42	4.47	-68.46
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@H+](C(C)C)C2)C1	REAL300030265294	1	55	0.0	-68.19	415.96	4.37	-63.82
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)[NH2+]C(C)(C)CC)C1	REAL300030265322	0	54	0.0	-71.18	411.90	2.34	-68.84
C#CC[N@H+]1CCCCC1C(=O)N1CC(CC=C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030265382	1	51	0.0	-58.24	401.19	4.04	-54.20
C#CC[N@@H+]1CCCCC1C(=O)N1CC(CC=C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030265382	1	51	0.0	-62.34	401.36	4.14	-58.20
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(C)[NH+]=C2NC)C1	REAL300030265386	1	48	0.0	-68.86	395.58	2.48	-66.38
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C[NH+]=CC=C2N)C1	REAL300030265387	0	42	0.0	-78.81	354.34	-0.21	-79.02
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(CC2=CC=CC=C2)[NH+](C)C)C1	REAL300030265393	0	55	0.0	-83.11	433.92	5.84	-77.27
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(CCC)[NH+](C)C)C1	REAL300030265400	0	51	0.0	-71.30	401.77	3.74	-67.56
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)(C)[NH+](C)C)C1	REAL300030265408	0	48	0.0	-74.55	369.13	2.77	-71.78
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)CC[NH+](C)C)C1	REAL300030265435	0	51	0.0	-78.73	408.20	3.65	-75.08
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1	REAL300030265504	0	56	0.0	-73.55	414.61	4.50	-69.05
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1	REAL300030265504	1	56	0.0	-60.19	422.38	5.20	-54.99
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300030265545	0	51	0.0	-78.64	403.26	4.23	-74.41
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300030265545	1	51	0.0	-75.33	395.38	5.18	-70.15
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[N@@H+](C)CCCCOC)C1	REAL300030265597	0	58	0.0	-81.27	463.58	3.72	-77.55
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[N@H+](C)CCCCOC)C1	REAL300030265597	1	58	0.0	-80.97	463.38	3.66	-77.31
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC(C)(C)C[N@H+]2C)C1	REAL300030265609	0	52	0.0	-70.32	405.37	3.42	-66.90
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC(C)(C)C[N@@H+]2C)C1	REAL300030265609	1	52	0.0	-66.87	406.01	3.49	-63.38
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCCCC[NH+](C)C)C1	REAL300030265615	0	54	0.0	-77.68	433.42	4.77	-72.91
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[NH+]2CCC(O)CC2)C1	REAL300030265621	0	53	0.0	-77.59	421.60	1.03	-76.56
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCCC[N@H+]2CCC)C1	REAL300030265627	0	55	0.0	-70.34	416.46	4.43	-65.91
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCCC[N@@H+]2CCC)C1	REAL300030265627	1	55	0.0	-73.25	414.68	4.39	-68.86
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCN2CC[NH+](CC)CC2)C1	REAL300030265638	0	57	0.0	-76.22	445.25	2.48	-73.74
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[NH+]2CCN(CC)CC2)C1	REAL300030265638	1	57	0.0	-74.84	445.12	2.61	-72.23
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2CC[NH+](C)CC2)C1	REAL300030265642	1	51	0.0	-76.40	405.82	1.36	-75.04
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[NH+](CC(C)C)CC2)C1	REAL300030265785	0	58	0.0	-79.68	443.40	5.40	-74.28
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[N@@H+](C)CC(C)O2)C1	REAL300030265788	1	50	0.0	-87.74	393.86	2.48	-85.26
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[N@H+](C)CC(C)O2)C1	REAL300030265788	1	50	0.0	-90.29	402.93	3.02	-87.27
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+]2CCCC(CC)C2)C1	REAL300030265830	0	55	0.0	-74.76	420.51	4.93	-69.83
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+]2CCCC(CC)C2)C1	REAL300030265830	1	55	0.0	-74.65	428.14	4.97	-69.68
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(C[NH+](C)C)N2)C1	REAL300030265841	0	50	0.0	-88.97	409.45	3.02	-85.95
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300030265866	0	47	0.0	-74.02	382.26	3.78	-70.24
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2([NH+]3CCCC3)CC2)C1	REAL300030265889	0	53	0.0	-72.29	411.67	4.61	-67.68
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)[NH2+]C2(CO)CCCC2)C1	REAL300030265912	0	56	0.0	-74.90	429.77	-0.23	-75.13
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCCC[N@H+]2C)C1	REAL300030265949	0	49	0.0	-73.34	388.37	3.39	-69.95
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300030265949	1	49	0.0	-73.63	375.86	3.07	-70.56
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@@H+]2CC2=CC=CC=C2)C1	REAL300030265957	1	53	0.0	-59.28	429.43	5.25	-54.03
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@H+]2CC2=CC=CC=C2)C1	REAL300030265957	1	53	0.0	-72.63	431.36	5.48	-67.15
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@@H+](CC(C)C)C2)C1	REAL300030265964	0	58	0.0	-63.89	447.48	5.51	-58.38
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@H+](CC(C)C)C2)C1	REAL300030265964	1	58	0.0	-62.02	446.88	5.33	-56.69
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2CCC([NH+](C)C)CC2)C1	REAL300030266039	0	57	0.0	-76.02	440.14	2.57	-73.45
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=C2CC[N@@H+](C)C2)C1	REAL300030266121	0	47	0.0	-70.07	384.53	3.18	-66.89
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=C2CC[N@H+](C)C2)C1	REAL300030266121	1	47	0.0	-78.47	385.53	3.43	-75.04
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300030266129	0	45	0.0	-76.38	382.27	1.12	-75.26
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2CC[NH+](CC)CC2)C1	REAL300030266202	0	54	0.0	-75.12	423.05	2.00	-73.12
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=C2C[NH+]3CCC2CC3)C1	REAL300030266205	0	51	0.0	-69.16	403.16	4.29	-64.87
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2([NH+](C)C)CCCC2)C1	REAL300030266261	0	52	0.0	-74.74	386.35	3.59	-71.15
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)C1	REAL300030266278	0	53	0.0	-69.00	417.17	1.24	-67.76
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)C1	REAL300030266278	1	53	0.0	-72.57	417.55	1.04	-71.53
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CC(CC)C2)C1	REAL300030266286	1	49	0.0	-75.85	399.01	3.66	-72.19
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[NH+](C3CCOCC3)C2)C1	REAL300030266290	0	54	0.0	-79.85	430.34	2.83	-77.02
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300030266293	0	53	0.0	-64.93	403.33	4.20	-60.73
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@@H]2CCC[N@H+]2C)C1	REAL300030266310	0	46	0.0	-71.31	369.55	2.67	-68.64
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1	REAL300030266310	1	46	0.0	-68.42	365.61	2.43	-65.99
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2COCC[N@H+]2CC)C1	REAL300030266352	0	53	0.0	-80.22	415.00	2.34	-77.88
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)NC3=C2CCC[NH2+]3)C1	REAL300030266361	0	50	0.0	-85.21	414.28	1.27	-83.94
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[NH+](C3CCCCC3)C2)C1	REAL300030266381	0	56	0.0	-71.66	438.19	5.31	-66.35
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[N@H+]2CC(OC)C3)C1	REAL300030266403	0	54	0.0	-70.04	417.73	2.31	-67.73
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[N@@H+]2CC(OC)C3)C1	REAL300030266403	1	54	0.0	-70.04	417.73	2.31	-67.73
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C3NC(N)=NC3=C2)C1	REAL300030266480	0	46	0.0	-80.83	386.47	2.67	-78.16
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C3NC(N)=[NH+]C3=C2)C1	REAL300030266480	1	46	0.0	-80.83	386.47	2.67	-78.16
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C1	REAL300030266536	0	49	0.0	-78.93	396.10	3.58	-75.35
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(CC[NH+](C)C)CCCC2)C1	REAL300030266549	0	58	0.0	-72.17	441.53	5.10	-67.07
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[NH+]2C(C)CCCC2C)C1	REAL300030266551	0	58	0.0	-69.99	440.43	5.13	-64.86
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC([NH+](C)C)CC2)C1	REAL300030266554	0	55	0.0	-77.03	416.47	4.36	-72.67
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(CC[NH+](C)C)CC2)C1	REAL300030266555	0	52	0.0	-83.48	419.80	4.47	-79.01
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C1	REAL300030266560	0	55	0.0	-75.49	416.82	4.32	-71.17
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2CC=CC[N@H+]2C)C1	REAL300030266561	0	50	0.0	-69.54	392.77	3.84	-65.70
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2CC=CC[N@@H+]2C)C1	REAL300030266561	1	50	0.0	-80.24	397.72	3.86	-76.38
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=CC2=C[NH+]=C(N)C(C)=C2)C1	REAL300030266634	1	49	0.0	-80.27	411.83	2.85	-77.42
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)COCC[NH+](C)C)C1	REAL300030266651	0	49	0.0	-74.88	402.38	3.04	-71.84
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[N@@H+](C)CCCCC)C1	REAL300030266658	0	57	0.0	-78.31	451.41	5.43	-72.88
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[N@H+](C)CCCCC)C1	REAL300030266658	1	57	0.0	-78.00	451.20	5.37	-72.63
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)C1	REAL300030266673	0	53	0.0	-67.80	421.96	4.01	-63.79
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2C=CSC2=[NH2+])C1	REAL300030266708	0	42	0.0	-71.06	373.87	2.08	-68.98
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@@H](C)OCC[NH+](C)C)C1	REAL300030266811	0	52	0.0	-70.33	419.73	3.48	-66.85
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[NH+]2CCCCCC2)C1	REAL300030266894	0	55	0.0	-75.31	420.51	4.58	-70.73
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCCCC2)C1	REAL300030266899	0	49	0.0	-73.61	388.55	3.76	-69.85
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@@H+](C)C2)C1	REAL300030266901	0	49	0.0	-75.42	389.10	3.30	-72.12
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@H+](C)C2)C1	REAL300030266901	1	49	0.0	-68.68	382.77	3.49	-65.19
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300030266903	0	53	0.0	-74.91	420.03	1.02	-73.89
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCCCCC2)C1	REAL300030266909	0	52	0.0	-72.97	397.63	3.91	-69.06
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N+]2=CN(C)C=C2)C1	REAL300030266916	0	44	0.0	-73.35	377.79	5.36	-67.99
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)(C)C2CCC[N@@H+](C)C2)C1	REAL300030266937	0	58	0.0	-78.90	429.37	4.60	-74.30
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)(C)C2CCC[N@H+](C)C2)C1	REAL300030266937	1	58	0.0	-72.83	432.36	4.40	-68.43
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(C[NH+](C)C)O2)C1	REAL300030266943	1	49	0.0	-83.84	408.97	3.61	-80.23
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(C[NH+](C)C)N=C2)C1	REAL300030266952	0	51	0.0	-86.10	416.74	3.08	-83.02
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300030266973	1	50	0.0	-78.02	399.42	0.37	-77.65
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+](C)C2CC2)C1	REAL300030266980	0	46	0.0	-71.08	375.84	3.25	-67.83
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+](C)C2CC2)C1	REAL300030266980	1	46	0.0	-71.78	376.23	3.32	-68.46
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)N2CC[NH+](C)CC2)C1	REAL300030266982	1	54	0.0	-79.08	423.98	1.73	-77.35
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[N@H+]2CCC(F)C2)C1	REAL300030266988	0	49	0.0	-83.24	400.93	3.66	-79.58
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[N@@H+]2CCC(F)C2)C1	REAL300030266988	1	49	0.0	-81.03	400.89	3.65	-77.38
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(C)CC(OC)C[N@@H+]2C)C1	REAL300030267005	0	53	0.0	-64.65	409.48	1.97	-62.68
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(C)CC(OC)C[N@H+]2C)C1	REAL300030267005	1	53	0.0	-71.47	406.24	2.53	-68.94
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC(CC[NH+](C)C)=C2)C1	REAL300030267027	0	55	0.0	-77.82	442.83	5.81	-72.01
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC(C)C[NH+](C)C)C1	REAL300030267033	0	51	0.0	-75.08	403.70	3.93	-71.15
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300030267056	0	51	0.0	-71.34	401.41	2.17	-69.17
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@H+]3CCOCC23)C1	REAL300030267056	1	51	0.0	-67.68	399.46	2.15	-65.53
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN3C(=C[NH+]=C3C)C=C2)C1	REAL300030267065	0	47	0.0	-62.97	394.02	4.82	-58.15
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2COCC[N@H+]2C)C1	REAL300030267089	1	50	0.0	-80.61	397.06	1.78	-78.83
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2COCC[N@@H+]2C)C1	REAL300030267089	1	50	0.0	-83.18	397.17	1.63	-81.55
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C[NH+](C)C)C2=CC=CC=C2)C1	REAL300030267099	0	55	0.0	-86.57	440.11	5.68	-80.89
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2CC[NH+](CC)CC2)C1	REAL300030267105	0	54	0.0	-75.12	423.05	2.00	-73.12
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C[NH+]=C(N)C=C2C)C1	REAL300030267179	1	45	0.0	-79.59	374.95	1.10	-78.49
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC2=CC=C(N)[NH+]=C2)C1	REAL300030267182	0	48	0.0	-73.78	405.63	2.36	-71.42
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+]2CCC(C)(O)C2)C1	REAL300030267250	0	50	0.0	-64.89	403.34	0.05	-64.84
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+]2CCC(C)(O)C2)C1	REAL300030267250	1	50	0.0	-75.27	403.05	0.28	-74.99
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=NN2CC[NH+](C)C)C1	REAL300030267261	0	52	0.0	-62.65	421.02	2.98	-59.67
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2C[NH+](C)C2)C1	REAL300030267301	0	46	0.0	-72.93	377.80	2.76	-70.17
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300030267307	0	53	0.0	-62.83	419.27	4.60	-58.23
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300030267307	1	53	0.0	-75.22	417.82	4.63	-70.59
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+](C)C)C1	REAL300030267317	0	42	0.0	-72.54	346.53	1.95	-70.59
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[N@H+](C)CCO)C1	REAL300030267364	0	49	0.0	-75.47	397.06	-0.14	-75.61
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[N@@H+](C)CCO)C1	REAL300030267364	1	49	0.0	-73.17	396.87	-0.07	-73.24
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300030267365	0	45	0.0	-74.02	364.71	2.20	-71.82
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2CCCC[N@H+]2C)C1	REAL300030267393	0	52	0.0	-61.48	398.26	3.99	-57.49
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2CCCC[N@@H+]2C)C1	REAL300030267393	1	52	0.0	-79.49	405.95	4.10	-75.39
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC3=C(C)[NH+]=CN3C=C2)C1	REAL300030267427	1	47	0.0	-79.55	394.17	5.63	-73.92
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)[NH+]2CC(C)C2)C1	REAL300030267428	0	49	0.0	-71.40	392.54	3.24	-68.16
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+]2CCC2C)C1	REAL300030267434	1	46	0.0	-71.58	373.22	2.78	-68.80
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+]2CCC2C)C1	REAL300030267434	1	46	0.0	-74.07	378.47	2.93	-71.14
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=CC[NH+](C)C)C1	REAL300030267455	0	46	0.0	-81.35	383.91	3.12	-78.23
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CC(C)(C)C2)C1	REAL300030267471	1	49	0.0	-74.27	397.39	3.52	-70.75
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCCC[NH+]2CCCCC2)C1	REAL300030267485	0	58	0.0	-75.28	453.51	5.96	-69.32
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC2=[NH+]C(C)=C(C)N2)C1	REAL300030267500	1	50	0.0	-69.96	416.86	3.14	-66.82
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(C3CC[NH+](C)CC3)CC2)C1	REAL300030267514	0	56	0.0	-87.77	435.57	5.48	-82.29
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC3=C(C)[NH+]=CN3C=C2)C1	REAL300030267524	1	47	0.0	-79.55	394.17	5.63	-73.92
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CSCC[NH+](C)C)C1	REAL300030267537	0	49	0.0	-80.16	413.41	3.88	-76.28
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C1	REAL300030267558	0	55	0.0	-77.56	441.51	5.83	-71.73
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C1	REAL300030267558	1	55	0.0	-76.97	442.02	5.82	-71.15
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC3=C(CCCC3)[NH+]=C2N)C1	REAL300030267562	1	52	0.0	-66.01	417.25	3.19	-62.82
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+]2CCCC2CO)C1	REAL300030267570	0	50	0.0	-62.89	395.99	-0.24	-63.13
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+]2CCCC2CO)C1	REAL300030267570	1	50	0.0	-70.84	401.41	0.50	-70.34
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+](CC)CC)C1	REAL300030267573	0	48	0.0	-73.16	377.80	2.96	-70.20
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+](C)C2CCSC2)C1	REAL300030267586	0	50	0.0	-78.64	406.00	4.19	-74.45
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+](C)C2CCSC2)C1	REAL300030267586	1	50	0.0	-76.05	407.25	4.17	-71.88
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCC2)C1	REAL300030267588	1	43	0.0	-74.80	356.66	2.27	-72.53
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[NH+](CC)CC)C1	REAL300030267654	0	51	0.0	-76.23	400.17	3.54	-72.69
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCC(C(N)=O)CC2)C1	REAL300030267680	0	53	0.0	-88.47	424.66	0.37	-88.10
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(C[NH+](C)C)=CN2)C1	REAL300030267739	0	50	0.0	-82.19	408.62	3.10	-79.09
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)[NH+]2CCC(O)CC2)C1	REAL300030267765	0	53	0.0	-72.05	410.27	0.62	-71.43
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300030267773	0	51	0.0	-75.41	404.65	2.22	-73.19
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC3COCC[N@H+]3C2)C1	REAL300030267773	1	51	0.0	-66.35	403.26	1.88	-64.47
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)[NH+]2CCC2)C1	REAL300030267795	1	46	0.0	-71.37	371.69	2.65	-68.72
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC(CC)C[NH+](C)C)C1	REAL300030267807	0	54	0.0	-79.24	417.50	4.34	-74.90
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=CC2=CC=C(N)[NH+]=C2)C1	REAL300030267816	0	46	0.0	-81.16	393.67	2.05	-79.11
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)(C)C[NH+](C)C)C1	REAL300030267817	0	51	0.0	-75.47	387.96	3.01	-72.46
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC(C2=CC=CC=C2)[NH+](C)C)C1	REAL300030267862	0	55	0.0	-72.31	434.56	5.83	-66.48
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@H]2CCCC[N@H+]2C)C1	REAL300030267900	0	49	0.0	-63.74	376.11	2.95	-60.79
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1	REAL300030267900	1	49	0.0	-68.37	387.72	3.47	-64.90
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[N@H+]3CCN2CC3C)C1	REAL300030267917	0	52	0.0	-86.09	398.24	0.68	-85.41
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[N@@H+]3CCN2CC3C)C1	REAL300030267917	1	52	0.0	-74.43	396.16	0.66	-73.77
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC(O)C[NH+](C)C)C1	REAL300030267950	0	49	0.0	-78.59	399.08	0.95	-77.64
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC3CCC(C2)[NH+]3C)C1	REAL300030267953	0	53	0.0	-77.10	383.74	4.27	-72.83
C=CCC(C(=O)N1CC(CC=C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030268007	0	49	0.0	-71.62	394.12	3.46	-68.16
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300030268022	0	53	0.0	-63.03	413.59	4.50	-58.53
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300030268022	1	53	0.0	-76.93	411.69	4.46	-72.47
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(C)CC[NH+](C)CC2)C1	REAL300030268039	0	52	0.0	-70.78	396.39	3.28	-67.50
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2(O)CC[NH+](C)CC2)C1	REAL300030268045	0	53	0.0	-75.72	416.98	2.16	-73.56
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2CCC[N@H+]2CCOC)C1	REAL300030268061	0	56	0.0	-73.70	443.35	3.52	-70.18
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2CCC[N@@H+]2CCOC)C1	REAL300030268061	1	56	0.0	-73.89	445.24	3.33	-70.56
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2CC3CCC(C2)[NH+]3C)C1	REAL300030268076	0	56	0.0	-78.99	412.42	4.38	-74.61
C=CCC1(NC(=O)C2=CC=NN2CC[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030268113	0	52	0.0	-57.12	408.51	3.12	-54.00
C=CCC1(NC(=O)C2(C3CC[NH+](C)CC3)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030268154	0	56	0.0	-63.52	432.60	5.46	-58.06
C=CCC1(NC(=O)C2=CC3=C(C)[NH+]=CN3C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030268165	1	47	0.0	-68.14	396.88	5.81	-62.33
C=CCC1(NC(=O)CSCC[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030268175	0	49	0.0	-72.17	411.79	3.46	-68.71
C=CCC1(NC(=O)C2CC3COCC[N@@H+]3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030268185	0	51	0.0	-66.96	403.33	2.07	-64.89
C=CCC1(NC(=O)C2CC3COCC[N@H+]3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030268185	1	51	0.0	-66.49	403.05	1.99	-64.50
C[N@@H+]1CCCC1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030268347	0	52	0.0	-69.74	394.64	3.51	-66.23
C[N@H+]1CCCC1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030268347	1	52	0.0	-73.83	394.49	3.50	-70.33
C[N@@H+]1CCOC(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030268371	1	53	0.0	-80.97	412.00	3.40	-77.57
C[N@H+]1CCOC(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030268371	1	53	0.0	-71.06	404.84	3.23	-67.83
CC(C)[N@@H+]1CCCC1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030268527	0	58	0.0	-68.22	433.53	5.06	-63.16
CC(C)[N@H+]1CCCC1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030268527	1	58	0.0	-71.49	426.95	5.19	-66.30
CC1=[NH+]C=CN1CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030268560	1	50	0.0	-68.68	404.02	4.57	-64.11
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1C[NH+]2CCC1CC2	REAL300030268588	0	56	0.0	-80.32	415.86	4.75	-75.57
C[C@@H]1[C@H](C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@@H+]1C	REAL300030268622	0	55	0.0	-75.50	412.21	4.11	-71.39
C[C@@H]1[C@H](C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@H+]1C	REAL300030268622	1	55	0.0	-74.68	416.80	4.38	-70.30
CC[C@@H]1[C@@H](C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@@H+]1C	REAL300030268624	0	58	0.0	-75.02	432.07	4.65	-70.37
CC[C@@H]1[C@@H](C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@H+]1C	REAL300030268624	1	58	0.0	-73.53	435.29	5.21	-68.32
CC[N@@H+]1CCOC(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030268631	1	56	0.0	-76.70	422.55	3.90	-72.80
CC[N@H+]1CCOC(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030268631	1	56	0.0	-78.26	422.60	3.87	-74.39
CC[NH+](CC)CC(F)C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030268659	0	57	0.0	-79.48	431.64	4.55	-74.93
CC1CCC(C)[NH+]1CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030268695	0	58	0.0	-69.02	431.72	4.98	-64.04
O=C(CCC[NH+]1CCCC1)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030268698	0	58	0.0	-73.62	444.43	5.48	-68.14
O=C(CC[NH+]1CCCCC1)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030268701	0	58	0.0	-73.42	438.15	5.34	-68.08
CC[N@@H+]1CCCCC1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030268704	0	58	0.0	-68.25	424.96	5.03	-63.22
CC[N@H+]1CCCCC1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030268704	1	58	0.0	-72.12	434.29	5.17	-66.95
C[NH+](C)C1(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CCC1	REAL300030268715	0	55	0.0	-74.68	410.27	4.30	-70.38
CC(C)[C@@H](C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030268722	0	57	0.0	-71.35	420.23	4.85	-66.50
C[N@H+](CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCC1	REAL300030268747	0	55	0.0	-70.09	420.69	4.94	-65.15
C[N@@H+](CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCC1	REAL300030268747	1	55	0.0	-70.85	420.82	4.95	-65.90
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030268823	1	54	0.0	-71.30	421.23	4.74	-66.56
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030268823	1	54	0.0	-68.89	427.14	5.25	-63.64
C[N@@H+]1CCCC1CCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030268828	0	58	0.0	-76.90	442.42	5.45	-71.45
C[N@H+]1CCCC1CCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030268828	1	58	0.0	-71.29	437.06	4.98	-66.31
C[NH+]1CCC(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030268848	0	55	0.0	-77.95	419.18	4.61	-73.34
C[N@@H+]1CCCCC1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030268887	0	55	0.0	-70.73	416.54	4.54	-66.19
C[N@H+]1CCCCC1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030268887	1	55	0.0	-73.14	416.47	4.56	-68.58
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CN2C=[NH+]C=C2C=C1	REAL300030268957	0	50	0.0	-74.28	404.77	6.48	-67.80
O=C(CC[NH+]1CCOCC1)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030268964	1	56	0.0	-76.87	429.86	2.96	-73.91
CC1=C[NH+]=CN1CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030268977	1	50	0.0	-73.00	403.31	5.25	-67.75
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C12CCC[NH+]1CCC2	REAL300030268998	0	56	0.0	-71.96	419.18	4.95	-67.01
C[N@@H+]1CCC(CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030269009	0	55	0.0	-78.00	421.05	4.55	-73.45
C[N@H+]1CCC(CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030269009	1	55	0.0	-73.74	421.41	4.55	-69.19
CN(C)C1=CC=[NH+]C=C1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030269015	0	54	0.0	-79.49	425.62	3.79	-75.70
CCC(C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030269017	0	54	0.0	-74.79	407.11	4.10	-70.69
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC2=C[NH+]=CN2C=C1	REAL300030269044	1	50	0.0	-78.38	405.04	6.46	-71.92
C[NH+](C)CCCCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030269076	0	57	0.0	-78.31	439.87	5.07	-73.24
CC(C)C(C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030269090	0	57	0.0	-72.74	421.92	5.16	-67.58
CCC[N@H+](C)CCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030269091	0	57	0.0	-74.83	436.19	4.90	-69.93
CCC[N@@H+](C)CCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030269091	1	57	0.0	-74.69	436.18	4.92	-69.77
CCC[N@H+](C)CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030269095	0	54	0.0	-72.32	413.83	4.37	-67.95
CCC[N@@H+](C)CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030269095	1	54	0.0	-72.47	413.82	4.37	-68.10
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C12CC[N@H+](C1)CCC2	REAL300030269110	0	56	0.0	-80.52	416.25	4.30	-76.22
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C12CC[N@@H+](C1)CCC2	REAL300030269110	1	56	0.0	-74.69	416.47	4.17	-70.52
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030269136	0	52	0.0	-70.29	395.05	3.51	-66.78
C[N@H+]1CCC[C@@H]1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030269136	1	52	0.0	-68.72	400.28	3.91	-64.81
CC[NH+](CC)CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030269171	0	54	0.0	-73.79	406.10	4.02	-69.77
CC1CC[NH+](CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030269232	0	58	0.0	-72.64	437.17	5.44	-67.20
C[NH+](C)CC1(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030269254	0	55	0.0	-77.51	426.20	4.73	-72.78
C[NH+]1CCC(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030269307	0	55	0.0	-77.95	419.18	4.61	-73.34
CC(C)[C@H](C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030269323	0	57	0.0	-69.35	424.05	5.16	-64.19
CCC(C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](CC)CC	REAL300030269351	0	60	0.0	-69.12	440.77	5.30	-63.82
CC[N@H+](C)CCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030269392	0	54	0.0	-74.16	414.70	4.16	-70.00
CC[N@@H+](C)CCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030269392	1	54	0.0	-74.00	414.69	4.16	-69.84
CC1CCC[N@@H+]1CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030269422	0	55	0.0	-69.18	413.30	4.34	-64.84
CC1CCC[N@H+]1CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030269422	1	55	0.0	-69.08	413.35	4.33	-64.75
CC1CC[N@H+](CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030269424	0	55	0.0	-71.52	420.85	4.61	-66.91
CC1CC[N@@H+](CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030269424	1	55	0.0	-71.79	419.91	4.71	-67.08
CC1(C)CC[N@H+](CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030269428	0	58	0.0	-71.57	439.62	5.21	-66.36
CC1(C)CC[N@@H+](CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030269428	1	58	0.0	-71.91	439.87	5.20	-66.71
C[N@H+](CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)CC(C)(C)C	REAL300030269429	0	60	0.0	-71.80	444.22	5.44	-66.36
C[N@@H+](CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)CC(C)(C)C	REAL300030269429	1	60	0.0	-72.34	444.37	5.51	-66.83
CC[C@@H](C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030269437	0	54	0.0	-70.41	405.02	3.98	-66.43
C[NH+](C)CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030269541	0	48	0.0	-75.85	374.51	2.94	-72.91
O=C(C[NH+]1CCCCCC1)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030269545	0	58	0.0	-72.13	425.91	5.00	-67.13
CN1C=C[N+](CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=C1	REAL300030269548	0	50	0.0	-69.72	405.83	6.46	-63.26
C[N@@H+]1CCCC(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030269553	0	55	0.0	-74.59	419.61	4.59	-70.00
C[N@H+]1CCCC(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030269553	1	55	0.0	-68.15	412.84	4.79	-63.36
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCC[N@@H+]1C1CC1	REAL300030269558	0	56	0.0	-67.51	432.09	5.47	-62.04
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCC[N@H+]1C1CC1	REAL300030269558	1	56	0.0	-69.20	427.50	5.33	-63.87
CC(C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+]1CCC1	REAL300030269574	1	52	0.0	-74.67	404.51	3.87	-70.80
CCC(CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C[NH+](C)C	REAL300030269578	0	60	0.0	-77.97	446.02	5.43	-72.54
C[NH+](C)CC(C)(C)C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030269583	0	57	0.0	-76.16	421.70	4.63	-71.53
O=C(C[NH+]1CCC(O)CC1)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030269598	1	56	0.0	-76.57	427.79	1.48	-75.09
C[N@H+](CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC1	REAL300030269599	0	52	0.0	-72.76	403.77	4.35	-68.41
C[N@@H+](CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC1	REAL300030269599	1	52	0.0	-70.30	403.99	4.36	-65.94
C[NH+]1CC(CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030269615	0	52	0.0	-74.66	406.03	3.77	-70.89
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030269626	0	58	0.0	-71.72	418.50	4.53	-67.19
CC(C)(C)[N@H+]1CCC1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030269626	1	58	0.0	-67.37	436.14	4.68	-62.69
C[C@@H](C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030269637	0	51	0.0	-71.93	392.50	3.36	-68.57
[NH2+]=C1SC=CN1CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030269696	0	48	0.0	-67.84	401.67	3.14	-64.70
C[N@H+](CCO)CCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030269703	0	55	0.0	-73.55	425.03	0.95	-72.60
C[N@@H+](CCO)CCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030269703	1	55	0.0	-73.86	424.99	0.93	-72.93
C[C@@H](C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030269704	0	51	0.0	-71.93	392.50	3.36	-68.57
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030269708	0	55	0.0	-69.41	407.19	4.37	-65.04
C[N@H+]1CCCC[C@@H]1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030269708	1	55	0.0	-67.85	416.55	4.55	-63.30
O=C(C[NH+]1CCC1)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030269758	1	49	0.0	-75.86	384.61	3.35	-72.51
C[N@@H+]1CCC(=CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030269777	0	53	0.0	-75.23	412.99	4.53	-70.70
C[N@H+]1CCC(=CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030269777	1	53	0.0	-77.32	413.89	4.51	-72.81
C[NH+](C)CCOCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030269800	0	55	0.0	-76.20	430.38	4.00	-72.20
C=CCC(C)(C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030269814	0	58	0.0	-74.21	426.29	4.76	-69.45
C[S+](C)CCC(O)C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030269818	0	54	0.0	-80.53	439.35	2.60	-77.93
C[N@@H+]1CC(O)CC1(C)C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030269837	0	56	0.0	-81.95	422.04	1.23	-80.72
CC1C[NH+](CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030269856	1	52	0.0	-72.31	405.90	4.08	-68.23
C[N@H+](CCO)CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030269874	1	52	0.0	-73.54	402.67	0.38	-73.16
C[N@@H+](CCO)CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030269874	1	52	0.0	-72.35	402.46	0.37	-71.98
CC[N@@H+]1CCCC(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030269894	0	58	0.0	-71.55	436.83	5.22	-66.33
CC[N@H+]1CCCC(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030269894	1	58	0.0	-65.92	431.07	5.45	-60.47
CC(CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C[NH+](C)C	REAL300030269896	0	57	0.0	-77.63	431.69	4.94	-72.69
CC[N@H+](C)CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030269901	0	51	0.0	-72.02	392.33	3.63	-68.39
CC[N@@H+](C)CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030269901	1	51	0.0	-72.17	392.32	3.63	-68.54
CC[N@H+](CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC1	REAL300030269934	0	55	0.0	-69.74	420.95	4.93	-64.81
CC[N@@H+](CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC1	REAL300030269934	1	55	0.0	-69.56	420.95	4.93	-64.63
CC[NH+](CC)CCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030269944	0	57	0.0	-76.60	428.11	4.56	-72.04
C[NH+]1CCC(=CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030269954	0	56	0.0	-76.70	428.05	5.23	-71.47
CC1(C)C[NH+](CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030269962	1	55	0.0	-72.53	425.16	4.58	-67.95
CC1(O)CC[N@H+](CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030269980	0	56	0.0	-71.87	430.43	1.35	-70.52
CC1(O)CC[N@@H+](CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030269980	1	56	0.0	-73.23	430.92	1.35	-71.88
C[NH+](C)CC=CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030269984	0	52	0.0	-79.51	410.47	4.17	-75.34
CC(OCC[NH+](C)C)C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030269993	0	58	0.0	-70.06	450.25	4.71	-65.35
C[NH+](C)CCOCCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030269999	0	58	0.0	-75.99	451.33	3.72	-72.27
COCC[N@H+](C)CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030270000	1	55	0.0	-71.95	424.68	2.81	-69.14
COCC[N@@H+](C)CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030270000	1	55	0.0	-73.69	424.92	2.79	-70.90
C[NH+](C)C1(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CCCC1	REAL300030270020	0	58	0.0	-77.06	426.88	5.41	-71.65
CC(CCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030270022	0	57	0.0	-79.94	427.86	4.67	-75.27
CC[N@@H+]1CCC1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030270028	1	52	0.0	-69.88	397.90	3.50	-66.38
CC[N@H+]1CCC1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030270028	1	52	0.0	-74.70	406.15	3.97	-70.73
O=C(C[N@H+]1CCCC1CO)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030270041	0	56	0.0	-71.73	427.65	1.50	-70.23
O=C(C[N@@H+]1CCCC1CO)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030270041	1	56	0.0	-71.65	424.17	1.04	-70.61
C[NH+]1CCC(C)(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030270063	0	58	0.0	-70.72	432.35	5.02	-65.70
C=CCC(C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030270082	0	55	0.0	-75.34	421.12	4.61	-70.73
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030270089	0	58	0.0	-69.29	434.45	4.66	-64.63
C[N@H+]1CC(C)(C)CC1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030270089	1	58	0.0	-72.74	434.22	4.62	-68.12
C[NH+](C)CCCCCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030270091	0	60	0.0	-77.64	461.37	5.85	-71.79
O=C(C[NH+]1CC2CC2C1)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030270096	0	53	0.0	-72.31	409.92	4.83	-67.48
CCCC(C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030270112	0	57	0.0	-75.60	428.62	4.86	-70.74
C[NH+](C)C(C)(C)C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030270115	0	54	0.0	-73.49	402.05	4.11	-69.38
C[N@@H+]1CCCCC1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030270141	0	55	0.0	-70.73	416.54	4.54	-66.19
C[N@H+]1CCCCC1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030270141	1	55	0.0	-73.14	416.47	4.56	-68.58
C[N@H+]1CC=C(CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030270165	0	56	0.0	-72.97	433.73	5.27	-67.70
C[N@@H+]1CC=C(CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030270165	1	56	0.0	-71.32	433.71	5.27	-66.05
O=C(C=CC[NH+]1CCCC1)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030270205	0	56	0.0	-76.51	436.90	5.38	-71.13
C[NH+](C)C1(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030270236	0	52	0.0	-76.95	401.14	3.63	-73.32
O=C(CC[NH+]1CCCC1)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030270238	0	55	0.0	-73.53	422.92	4.67	-68.86
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1C[NH+]2CCN1CC2	REAL300030270262	0	55	0.0	-81.63	410.97	1.43	-80.20
C[N@@H+]1CC2CC1(C(=O)NC1CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC1)C2	REAL300030270267	0	53	0.0	-73.36	405.23	4.19	-69.17
C[N@H+]1CC2CC1(C(=O)NC1CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC1)C2	REAL300030270267	1	53	0.0	-75.31	407.05	4.07	-71.24
O=C(C[N@@H+]1CC2CCC1C2)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030270274	0	56	0.0	-70.25	421.17	5.04	-65.21
O=C(C[N@H+]1CC2CCC1C2)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030270274	1	56	0.0	-70.48	421.17	5.05	-65.43
O=C(C[N@@H+]1CC2C=CC1C2)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030270314	1	54	0.0	-68.55	413.71	4.84	-63.71
O=C(C[N@H+]1CC2C=CC1C2)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030270314	1	54	0.0	-70.48	413.94	4.93	-65.55
CC(C[NH+](C)C)C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030270346	0	54	0.0	-74.29	413.00	4.22	-70.07
C[N@@H+]1CCCCC1CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030270396	0	58	0.0	-68.09	426.34	5.02	-63.07
C[N@H+]1CCCCC1CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030270396	1	58	0.0	-73.04	433.86	5.14	-67.90
CC(C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+]1CC(C)C1	REAL300030270406	1	55	0.0	-73.31	422.03	4.67	-68.64
CC1CC[N@@H+]1CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030270408	1	52	0.0	-70.16	400.39	3.77	-66.39
CC1CC[N@H+]1CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030270408	1	52	0.0	-74.18	405.84	4.03	-70.15
C[NH+](C)CC(O)CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030270411	0	55	0.0	-80.49	427.12	1.97	-78.52
CC1C[N@H+](C)CC(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)O1	REAL300030270431	1	56	0.0	-89.85	425.88	3.70	-86.15
CC1C[N@@H+](C)CC(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)O1	REAL300030270431	1	56	0.0	-80.53	426.04	3.98	-76.55
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030270478	0	55	0.0	-75.32	424.26	4.67	-70.65
CC(CC[NH+](C)C)C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030270484	0	57	0.0	-74.75	434.64	4.84	-69.91
C[NH+]1CCN(CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030270503	1	57	0.0	-74.45	433.61	2.46	-71.99
NC(=[NH2+])SCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030270527	0	46	0.0	-78.02	383.03	-0.20	-78.22
C[NH+](C)CCC1(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030270556	0	58	0.0	-70.50	449.02	5.52	-64.98
C[N@@H+]1CC=CCC1CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030270557	0	56	0.0	-73.81	425.83	5.01	-68.80
C[N@H+]1CC=CCC1CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030270557	1	56	0.0	-65.17	420.77	4.94	-60.23
C[C@@H](OCC[NH+](C)C)C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030270570	0	58	0.0	-70.14	450.28	4.71	-65.43
CCC1CN(CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030270656	0	55	0.0	-73.28	427.26	4.80	-68.48
CCC1C[NH+](CC(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030270656	1	55	0.0	-73.28	427.26	4.80	-68.48
C[N@@H+]1CCC[C@H]1C(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030270661	0	52	0.0	-74.01	395.00	3.51	-70.50
O=C(CC[N@H+]1CCC(F)C1)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030270667	0	55	0.0	-76.62	429.70	4.76	-71.86
CC1C(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@@H+]1C	REAL300030270686	0	55	0.0	-74.45	411.37	3.96	-70.49
CC1C(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@H+]1C	REAL300030270686	1	55	0.0	-74.45	411.37	3.96	-70.49
CN1CCOCC1CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030270715	0	56	0.0	-70.86	417.66	2.62	-68.24
C[N@@H+]1CCOCC1CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030270715	1	56	0.0	-67.43	417.72	2.62	-64.81
C[N@H+]1CCOCC1CC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030270715	1	56	0.0	-67.43	417.72	2.62	-64.81
C[N@@H+]1CCCC1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030270886	0	52	0.0	-71.36	395.69	3.56	-67.80
C[N@H+]1CCCC1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030270886	1	52	0.0	-68.67	400.17	4.02	-64.65
C[N@@H+]1CCOC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030270912	1	53	0.0	-85.29	409.90	3.42	-81.87
C[N@H+]1CCOC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030270912	1	53	0.0	-83.40	412.09	3.43	-79.97
O=C(CC[NH+]1CCOCC1)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030271065	1	56	0.0	-77.19	431.79	3.08	-74.11
O=C(NC1CCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)CC1)C1=CC(=O)[N-]O1	REAL300030271077	0	56	0.0	-66.74	417.26	4.57	-62.17
O=C(NC1CCC2(CN(C(=O)C3=CC4=C[NH+]=CN4C=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300030271083	1	50	0.0	-78.43	402.59	6.15	-72.28
C[N@@H+]1CCC(CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030271114	0	55	0.0	-76.30	423.48	4.67	-71.63
C[N@H+]1CCC(CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030271114	1	55	0.0	-76.89	422.83	4.67	-72.22
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030271120	0	54	0.0	-80.00	425.39	3.26	-76.74
CCC(C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300030271122	0	54	0.0	-70.50	407.47	4.18	-66.32
C[NH+](C)CCCCC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030271160	0	57	0.0	-74.40	441.90	5.19	-69.21
CC(C)C(C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300030271176	0	57	0.0	-68.84	422.23	4.92	-63.92
CCC[N@H+](C)CCC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030271177	0	57	0.0	-74.27	438.59	5.05	-69.22
CCC[N@@H+](C)CCC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030271177	1	57	0.0	-73.57	438.18	5.04	-68.53
CCC[N@H+](C)CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030271181	0	54	0.0	-70.93	415.82	4.48	-66.45
CCC[N@@H+](C)CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030271181	1	54	0.0	-71.90	415.83	4.49	-67.41
O=C(NC1CCC2(CN(C(=O)C34CC[N@H+](C3)CCC4)C2)CC1)C1=CC(=O)[N-]O1	REAL300030271196	0	56	0.0	-74.70	413.02	3.98	-70.72
O=C(NC1CCC2(CN(C(=O)C34CC[N@@H+](C3)CCC4)C2)CC1)C1=CC(=O)[N-]O1	REAL300030271196	1	56	0.0	-75.09	412.77	4.00	-71.09
CC1CC[NH+](CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300030271229	0	58	0.0	-70.89	439.16	5.56	-65.33
C[NH+](C)CC1(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300030271270	0	55	0.0	-73.85	427.74	4.77	-69.08
CC[N@H+](C)CCC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030271289	0	54	0.0	-72.79	416.69	4.30	-68.49
CC[N@@H+](C)CCC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030271289	1	54	0.0	-72.87	416.69	4.29	-68.58
O=C(NC1CCC2(CN(C(=O)C3C[NH+]4CCC3CC4)C2)CC1)C1=CC(=O)[N-]O1	REAL300030271307	0	56	0.0	-74.96	414.53	4.71	-70.25
C[NH+]1CCC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300030271356	0	55	0.0	-77.23	418.56	4.51	-72.72
CC(C)[C@H](C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300030271372	0	57	0.0	-70.62	422.86	5.06	-65.56
CC[NH+](CC)CC(F)C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030271432	0	57	0.0	-71.18	438.83	5.04	-66.14
C[NH+](C)C1(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)CCC1	REAL300030271453	0	55	0.0	-75.72	406.69	4.30	-71.42
CCC(C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2)[NH+](CC)CC	REAL300030271481	0	60	0.0	-64.74	441.39	5.32	-59.42
CC1CCC[N@@H+]1CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030271492	0	55	0.0	-67.74	422.63	4.73	-63.01
CC1CCC[N@H+]1CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030271492	1	55	0.0	-67.65	415.25	4.42	-63.23
CC(C)[N@@H+]1CCCC1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030271538	0	58	0.0	-69.55	427.48	5.39	-64.16
CC(C)[N@H+]1CCCC1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030271538	1	58	0.0	-66.71	432.92	5.06	-61.65
CC(C)[C@@H](C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300030271547	0	57	0.0	-68.86	421.66	4.91	-63.95
CC1CC[N@H+](CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030271561	0	55	0.0	-69.48	422.81	4.72	-64.76
CC1CC[N@@H+](CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030271561	1	55	0.0	-69.96	421.90	4.81	-65.15
CC1(C)CC[N@H+](CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030271565	0	58	0.0	-69.83	441.63	5.31	-64.52
CC1(C)CC[N@@H+](CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030271565	1	58	0.0	-69.94	442.04	5.30	-64.64
C[N@H+](CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2)CC(C)(C)C	REAL300030271566	0	60	0.0	-70.80	444.42	5.46	-65.34
C[N@@H+](CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2)CC(C)(C)C	REAL300030271566	1	60	0.0	-71.48	446.39	5.63	-65.85
CC[C@@H](C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300030271574	0	54	0.0	-67.63	407.29	4.06	-63.57
CC1=[NH+]C=CN1CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030271695	1	50	0.0	-68.99	406.00	4.69	-64.30
CC[N@@H+]1CCOC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030271759	1	56	0.0	-82.77	429.26	4.05	-78.72
CC[N@H+]1CCOC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030271759	1	56	0.0	-79.03	427.03	4.02	-75.01
O=C(NC1CCC2(CN(C(=O)C3=CN4C=[NH+]C=C4C=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300030271789	0	50	0.0	-73.81	402.29	6.13	-67.68
CC1=C[NH+]=CN1CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030271792	1	50	0.0	-71.60	406.34	5.42	-66.18
C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)CC[N@@H+]1C	REAL300030271799	0	55	0.0	-77.49	413.64	4.06	-73.43
C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)CC[N@H+]1C	REAL300030271799	1	55	0.0	-73.04	418.52	4.68	-68.36
CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)CC[N@@H+]1C	REAL300030271801	0	58	0.0	-75.15	432.46	4.70	-70.45
CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)CC[N@H+]1C	REAL300030271801	1	58	0.0	-72.93	435.75	5.19	-67.74
CC1CCC(C)[NH+]1CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030271808	0	58	0.0	-66.99	433.32	4.92	-62.07
O=C(CCC[NH+]1CCCC1)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030271811	0	58	0.0	-74.25	446.35	5.61	-68.64
O=C(CC[NH+]1CCCCC1)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030271815	0	58	0.0	-73.03	440.99	5.51	-67.52
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[NH2+]=C1SC=CN1CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030273260	0	48	0.0	-68.53	403.67	3.26	-65.27
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C[N@@H+]1CCOCC1CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030273405	1	56	0.0	-68.91	420.12	2.75	-66.16
C[N@H+]1CCOCC1CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030273405	1	56	0.0	-68.91	420.12	2.75	-66.16
CC1=CC(N)=NC=C1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030273445	0	51	0.0	-74.50	404.02	2.32	-72.18
CC1=CC(N)=[NH+]C=C1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030273445	1	51	0.0	-74.50	404.02	2.32	-72.18
CC1(O)CC[N@H+](CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030273475	0	56	0.0	-70.73	433.13	1.48	-69.25
C[NH+]1CC(CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030273503	0	52	0.0	-73.97	407.80	3.90	-70.07
C[N@H+](CCO)CCC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030273533	0	55	0.0	-72.16	427.02	1.07	-71.09
C[N@@H+](CCO)CCC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030273533	1	55	0.0	-72.16	427.02	1.07	-71.09
C[N@@H+]1CCCCC1CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030273551	0	58	0.0	-65.72	428.74	5.13	-60.59
C[N@H+]1CCCCC1CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030273551	1	58	0.0	-65.72	428.74	5.13	-60.59
CC1CCN1CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030273566	0	52	0.0	-70.50	402.30	3.88	-66.62
CC1CC[N@@H+]1CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030273566	1	52	0.0	-69.47	407.92	4.15	-65.32
CC1CC[N@H+]1CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030273566	1	52	0.0	-69.47	407.92	4.15	-65.32
C[NH+](C)CC=CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030273574	0	52	0.0	-75.50	412.31	4.26	-71.24
CC1(C)CN(CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030273580	0	55	0.0	-70.87	427.20	4.69	-66.18
CC1(C)C[NH+](CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030273580	1	55	0.0	-70.87	427.20	4.69	-66.18
C[NH+](C)CCSCC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030273602	0	55	0.0	-79.88	443.41	5.00	-74.88
O=C(C[N@H+]1CCCC1CO)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030273621	0	56	0.0	-69.98	429.60	1.61	-68.37
CC[NH+](CC)CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030273625	0	54	0.0	-70.89	412.62	4.42	-66.47
O=C(CN1CCC1)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030273634	0	49	0.0	-71.05	386.89	3.54	-67.51
O=C(C[NH+]1CCC1)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030273634	1	49	0.0	-71.05	386.89	3.54	-67.51
CC[NH+](CC)CCC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030273665	0	57	0.0	-72.26	430.15	4.72	-67.54
CC(C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2)N1CCC1	REAL300030273724	0	52	0.0	-71.67	398.63	3.71	-67.96
CC(C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2)[NH+]1CCC1	REAL300030273724	1	52	0.0	-71.67	398.63	3.71	-67.96
CCC(CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2)C[NH+](C)C	REAL300030273729	0	60	0.0	-75.55	447.55	5.54	-70.01
C[NH+](C)CC(C)(C)C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030273735	0	57	0.0	-72.51	419.97	4.36	-68.15
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030273772	0	55	0.0	-69.23	418.32	4.65	-64.58
C[NH+](C)CC(O)CC(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030273796	0	55	0.0	-77.20	429.48	2.14	-75.06
C=CCC(C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300030273818	0	55	0.0	-70.62	421.94	4.69	-65.93
C[NH+]1CCC(C)(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300030273831	0	58	0.0	-74.77	426.80	4.67	-70.10
C[NH+](C)CCSCC(=O)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030273894	0	55	0.0	-81.81	441.40	4.86	-76.95
C[N@@H+]1CCCC1C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030274053	0	46	0.0	-67.98	356.88	2.42	-65.56
C[N@H+]1CCCC1C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030274053	1	46	0.0	-69.08	350.46	1.99	-67.09
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030274261	1	53	0.0	-67.76	417.61	4.57	-63.19
CC(C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCCC1	REAL300030274265	0	55	0.0	-69.90	401.70	3.80	-66.10
CC(C)[N@@H+]1CCCC1C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030274298	0	52	0.0	-69.62	380.47	3.45	-66.17
CC(C)[N@H+]1CCCC1C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030274298	1	52	0.0	-70.64	378.38	3.36	-67.28
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@@H+]2C1	REAL300030274321	0	53	0.0	-75.98	398.67	4.24	-71.74
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@H+]2C1	REAL300030274321	1	53	0.0	-71.02	399.37	4.10	-66.92
CC(C)C1=[NH+]C=CN1CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030274350	1	50	0.0	-69.83	398.06	4.28	-65.55
CC1=[NH+]C=CN1CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030274395	1	44	0.0	-71.24	361.73	3.16	-68.08
CC(C[NH+]1CCOCC1)C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030274397	1	53	0.0	-72.19	402.84	2.12	-70.07
O=C(CCC[NH+]1CCCCC1)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030274415	0	55	0.0	-73.07	416.71	4.72	-68.35
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1C[NH+]2CCC1CC2	REAL300030274458	0	50	0.0	-80.17	373.40	3.31	-76.86
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCC2CCC[N@@H+]21	REAL300030274515	0	53	0.0	-69.43	388.84	3.95	-65.48
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCC2CCC[N@H+]21	REAL300030274515	1	53	0.0	-64.88	395.76	4.29	-60.59
C[NH+](C)CCN1C=C(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C=N1	REAL300030274517	0	52	0.0	-80.67	416.41	2.89	-77.78
C[NH+](C)CCN1C=CC(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300030274530	0	52	0.0	-86.06	416.69	2.91	-83.15
C[C@@H]1[C@H](C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030274537	0	49	0.0	-73.86	369.33	2.58	-71.28
C[C@@H]1[C@H](C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030274537	1	49	0.0	-73.10	374.10	2.88	-70.22
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030274539	1	53	0.0	-67.91	417.16	4.69	-63.22
CC[C@@H]1[C@@H](C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030274542	0	52	0.0	-69.67	387.69	3.08	-66.59
CC[C@@H]1[C@@H](C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030274542	1	52	0.0	-73.30	393.87	3.40	-69.90
CC[N@@H+]1CCOC(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030274564	1	50	0.0	-84.93	387.17	2.44	-82.49
CC[N@H+]1CCOC(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030274564	1	50	0.0	-79.76	386.37	2.52	-77.24
CC[NH+](CC)CC(F)C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030274619	0	51	0.0	-74.25	391.96	3.27	-70.98
CC1CCC(C)[NH+]1CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030274714	0	52	0.0	-70.56	391.50	3.44	-67.12
O=C(CCC[NH+]1CCCC1)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030274721	0	52	0.0	-73.54	400.77	3.86	-69.68
C[NH+](C)CC1=CC=CC(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030274722	0	52	0.0	-75.80	409.81	4.87	-70.93
C#CC[NH+]1CCC(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030274727	0	51	0.0	-78.88	400.90	4.19	-74.69
O=C(CC[NH+]1CCCCC1)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030274728	0	52	0.0	-74.21	395.68	3.82	-70.39
CC(C)C[N@@H+]1CCC(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030274763	0	55	0.0	-70.69	415.71	4.41	-66.28
CC(C)C[N@H+]1CCC(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030274763	1	55	0.0	-70.77	416.50	4.43	-66.34
CC(C)[N@@H+]1CCCC1CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030274772	0	55	0.0	-63.63	400.22	3.97	-59.66
CC(C)[N@H+]1CCCC1CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030274772	1	55	0.0	-65.81	410.08	4.07	-61.74
C[N@H+](CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300030274850	0	49	0.0	-72.89	378.40	3.52	-69.37
C[N@@H+](CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300030274850	1	49	0.0	-70.06	377.44	3.47	-66.59
CC(C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1C(C)CCC1C	REAL300030274926	0	55	0.0	-62.79	399.12	3.45	-59.34
CN(CCC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=[NH+]C=C1	REAL300030274997	0	51	0.0	-68.06	405.94	3.15	-64.91
C[N@@H+]1CCCC1CCC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030275017	0	52	0.0	-72.60	394.04	3.39	-69.21
C[N@H+]1CCCC1CCC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030275017	1	52	0.0	-77.62	395.52	3.74	-73.88
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC2CCCC[N@@H+]21	REAL300030275033	0	53	0.0	-68.50	399.95	4.32	-64.18
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC2CCCC[N@H+]21	REAL300030275033	1	53	0.0	-68.31	393.13	3.90	-64.41
O=C(CCCC[NH+]1CCCC1)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030275059	0	55	0.0	-74.05	423.30	4.70	-69.35
C[N@H+](CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300030275062	1	52	0.0	-80.31	408.96	5.13	-75.18
C[N@@H+](CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300030275062	1	52	0.0	-76.70	407.92	5.07	-71.63
C[NH+]1CCC(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030275078	0	49	0.0	-78.74	376.68	3.03	-75.71
C[NH+](C)CC1=CC(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)=NO1	REAL300030275124	1	48	0.0	-79.87	391.22	2.44	-77.43
CC1=C(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C=CC2=C[NH+]=CN21	REAL300030275126	0	47	0.0	-74.04	384.40	5.13	-68.91
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN2C=[NH+]C=C2C=C1	REAL300030275329	0	44	0.0	-73.25	361.37	4.97	-68.28
CC1=[NH+]C=CN1CCCC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030275344	1	50	0.0	-70.54	402.18	4.39	-66.15
O=C(CCCC[NH+]1CCOCC1)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030275348	1	56	0.0	-77.36	430.24	2.97	-74.39
C[NH+](C)CC1=CC=C(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C=C1	REAL300030275352	0	52	0.0	-82.17	409.34	4.96	-77.21
O=C(CC[NH+]1CCOCC1)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030275353	1	50	0.0	-76.14	385.95	1.46	-74.68
CCC[NH+](CCC)CCCC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030275373	0	60	0.0	-73.95	454.66	5.61	-68.34
CC1=C[NH+]=CN1CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030275393	1	44	0.0	-69.91	360.96	3.82	-66.09
O=C(CN1C=[NH+]C2=C1CCCC2)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030275405	1	51	0.0	-70.53	403.26	5.47	-65.06
C[NH+](C)CC1(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CCCCC1	REAL300030275439	0	58	0.0	-83.41	410.97	4.97	-78.44
C[N@H+](CCC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCCC1	REAL300030275443	0	58	0.0	-74.41	429.61	5.06	-69.35
C[N@@H+](CCC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCCC1	REAL300030275443	1	58	0.0	-74.90	429.62	5.08	-69.82
C[NH+](C)C1CCCC(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030275485	0	55	0.0	-67.36	403.60	4.18	-63.18
C[N@@H+]1CCC(CC(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030275492	0	49	0.0	-74.97	378.14	3.09	-71.88
C[N@H+]1CCC(CC(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030275492	1	49	0.0	-71.68	377.48	3.00	-68.68
CCC(C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030275509	0	48	0.0	-72.73	363.41	2.49	-70.24
C[NH+](C)C1(CC(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300030275530	0	55	0.0	-70.95	394.98	3.89	-67.06
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC2=C[NH+]=CN2C=C1	REAL300030275589	1	44	0.0	-78.92	362.06	4.91	-74.01
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300030275628	1	47	0.0	-83.88	391.71	2.84	-81.04
C[NH+](C)CCCCC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030275656	0	51	0.0	-75.54	397.03	3.54	-72.00
CCC[N@H+](C)CCC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030275675	0	51	0.0	-75.67	393.68	3.33	-72.34
CCC[N@@H+](C)CCC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030275675	1	51	0.0	-75.56	393.79	3.36	-72.20
CCC[N@H+](C)CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030275680	0	48	0.0	-72.42	370.43	2.90	-69.52
CCC[N@@H+](C)CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030275680	1	48	0.0	-72.33	370.42	2.90	-69.43
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CC[N@H+](C1)CCC2	REAL300030275704	0	50	0.0	-72.39	372.96	2.63	-69.76
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CC[N@@H+](C1)CCC2	REAL300030275704	1	50	0.0	-73.77	373.49	2.63	-71.14
C[N@@H+]1CCC[C@@H]1C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030275760	0	46	0.0	-73.86	351.20	2.01	-71.85
C[N@H+]1CCC[C@@H]1C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030275760	1	46	0.0	-65.81	357.44	2.53	-63.28
CC1CC2CCC(C(=O)N[C@]34CC[C@H]3CN(C(=O)C3=CC(=O)[N-]O3)C4)C[N@@H+]2C1	REAL300030275785	0	56	0.0	-71.49	419.72	4.74	-66.75
CC1CC2CCC(C(=O)N[C@]34CC[C@H]3CN(C(=O)C3=CC(=O)[N-]O3)C4)C[N@H+]2C1	REAL300030275785	1	56	0.0	-65.47	414.34	4.90	-60.57
CCCCCC[N@H+](C)CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030275831	0	57	0.0	-76.54	436.03	5.29	-71.25
CCCCCC[N@@H+](C)CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030275831	1	57	0.0	-73.53	434.93	5.22	-68.31
CC[NH+](CC)CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030275849	0	48	0.0	-71.72	363.26	2.46	-69.26
CCC[N@@H+]1CCCC(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030275876	0	55	0.0	-63.65	408.66	4.69	-58.96
CCC[N@H+]1CCCC(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030275876	1	55	0.0	-67.20	409.76	4.75	-62.45
CC(C)[N@@H+]1CCOC(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030275893	1	53	0.0	-68.45	395.99	2.88	-65.57
CC(C)[N@H+]1CCOC(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030275893	1	53	0.0	-79.87	403.57	2.95	-76.92
CC1CC[NH+](CC(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030275931	0	52	0.0	-74.27	394.25	3.89	-70.38
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300030275957	1	47	0.0	-79.49	391.39	2.82	-76.67
C[NH+]1CCC(OCC(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030275965	0	53	0.0	-81.36	412.25	3.59	-77.77
C[NH+](C)CC1(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030275982	0	49	0.0	-72.66	380.18	3.46	-69.20
CC1=[NH+]C=C2CCC(C(=O)N[C@]34CC[C@H]3CN(C(=O)C3=CC(=O)[N-]O3)C4)CN21	REAL300030275983	1	51	0.0	-65.24	399.75	4.18	-61.06
CC(C)[NH+]1CCC(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030276073	0	55	0.0	-76.21	411.00	4.21	-72.00
C[NH+]1CCC(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030276099	0	49	0.0	-78.74	376.68	3.03	-75.71
CCC(C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](CC)CC	REAL300030276136	0	54	0.0	-66.88	394.99	3.39	-63.49
CC[N@H+](C)CCC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030276226	0	48	0.0	-74.70	372.29	2.63	-72.07
CC[N@@H+](C)CCC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030276226	1	48	0.0	-74.96	372.18	2.58	-72.38
CC1CCC[N@@H+]1CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030276290	0	49	0.0	-71.33	371.12	2.88	-68.45
CC1CCC[N@H+]1CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030276290	1	49	0.0	-69.29	375.60	3.23	-66.06
CC1CC[N@H+](CC(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030276293	0	49	0.0	-72.44	378.34	3.03	-69.41
CC1CC[N@@H+](CC(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030276293	1	49	0.0	-71.74	377.32	3.22	-68.52
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030276294	0	55	0.0	-70.54	414.31	3.81	-66.73
CC(C)(C)[N@H+]1CCC(F)(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030276294	1	55	0.0	-71.07	414.58	3.88	-67.19
CC1=[NH+]C=C2CC(C(=O)N[C@]34CC[C@H]3CN(C(=O)C3=CC(=O)[N-]O3)C4)CCN21	REAL300030276295	1	51	0.0	-72.49	401.34	4.14	-68.35
C[NH+](C)CCC1=CC=C(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C=C1	REAL300030276297	0	55	0.0	-82.86	431.84	5.81	-77.05
CC1(C)CC[N@H+](CC(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030276299	0	52	0.0	-71.51	396.28	3.73	-67.78
CC1(C)CC[N@@H+](CC(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030276299	1	52	0.0	-68.81	395.90	3.63	-65.18
C[N@H+](CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300030276300	0	54	0.0	-72.41	399.01	3.88	-68.53
C[N@@H+](CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300030276300	1	54	0.0	-71.77	400.98	4.02	-67.75
C[N@H+](CCC1=CC=CC=C1)CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030276301	0	55	0.0	-76.02	430.34	5.90	-70.12
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030276301	1	55	0.0	-78.91	431.44	5.97	-72.94
CC[C@@H](C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030276310	0	48	0.0	-69.28	362.08	2.41	-66.87
CC(COCC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCC1	REAL300030276317	0	56	0.0	-72.93	430.88	4.26	-68.67
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[NH+](CC2CC2)CC1	REAL300030276406	0	56	0.0	-78.66	425.44	5.24	-73.42
C[NH+]1CCC(O)(CC(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030276536	0	53	0.0	-75.83	402.51	1.67	-74.16
COCC[N@@H+]1CCCC1CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030276542	0	56	0.0	-63.01	421.54	3.30	-59.71
COCC[N@H+]1CCCC1CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030276542	1	56	0.0	-70.20	423.38	2.43	-67.77
C[NH+](C)CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030276549	0	42	0.0	-67.85	331.04	1.46	-66.39
O=C(C[NH+]1CCC(CO)CC1)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030276553	1	53	0.0	-77.62	405.49	0.55	-77.07
O=C(C[NH+]1CCCCCC1)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030276557	0	52	0.0	-74.74	383.38	3.59	-71.15
CN1C=C[N+](CC(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030276562	0	44	0.0	-70.14	362.90	4.91	-65.23
C[N@@H+]1CCCC(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030276572	0	49	0.0	-64.07	369.37	3.28	-60.79
C[N@H+]1CCCC(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030276572	1	49	0.0	-64.46	369.55	3.29	-61.17
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@@H+]1C1CC1	REAL300030276577	0	50	0.0	-71.34	383.61	3.33	-68.01
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@H+]1C1CC1	REAL300030276577	1	50	0.0	-69.74	384.90	3.90	-65.84
CC(C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300030276610	1	46	0.0	-70.22	359.88	2.45	-67.77
CCC(CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300030276620	0	54	0.0	-76.16	406.14	4.08	-72.08
O=C(C[NH+]1CCC(O)CC1)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030276667	1	50	0.0	-78.70	384.50	-0.08	-78.78
C[N@H+](CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030276669	0	46	0.0	-70.60	360.95	2.81	-67.79
C[N@@H+](CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030276669	1	46	0.0	-70.90	361.42	2.81	-68.09
CC(C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)N1CC[NH+](C)CC1	REAL300030276670	1	54	0.0	-72.07	404.47	1.32	-70.75
C[NH+]1CC(CC(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030276694	0	46	0.0	-73.57	363.22	2.12	-71.45
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@@H+]1C1CCCC1	REAL300030276698	0	53	0.0	-72.30	400.27	4.03	-68.27
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@H+]1C1CCCC1	REAL300030276698	1	53	0.0	-73.47	401.97	4.29	-69.18
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030276706	0	52	0.0	-66.62	370.33	2.78	-63.84
CC(C)(C)[N@H+]1CCC1C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030276706	1	52	0.0	-73.23	377.62	2.67	-70.56
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300030276716	0	52	0.0	-68.71	408.00	1.89	-66.82
C[C@@H](C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030276719	0	45	0.0	-70.81	349.74	1.79	-69.02
CCC1CCC[N@H+](CC(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030276764	0	55	0.0	-69.69	412.40	4.53	-65.16
CCC1CCC[N@@H+](CC(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030276764	1	55	0.0	-72.54	412.20	4.60	-67.94
C[NH+](C)CC1=CC=C(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300030276772	0	50	0.0	-82.88	397.78	2.90	-79.98
C[NH+]1C2CCC1CC(CC(=O)N[C@]13CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030276784	0	56	0.0	-76.44	397.27	3.91	-72.53
C[NH+](C)C(CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300030276789	0	55	0.0	-81.69	421.90	5.39	-76.30
[NH2+]=C1SC=CN1CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030276825	0	42	0.0	-66.88	358.27	1.67	-65.21
C[N@H+](CCO)CCC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030276836	0	49	0.0	-75.03	382.54	-0.63	-75.66
C[N@@H+](CCO)CCC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030276836	1	49	0.0	-73.85	382.48	-0.63	-74.48
C[C@@H](C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030276837	0	45	0.0	-70.81	349.74	1.79	-69.02
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030276842	0	49	0.0	-72.95	365.31	2.90	-70.05
C[N@H+]1CCCC[C@@H]1C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030276842	1	49	0.0	-70.61	373.15	3.07	-67.54
CC1CN2CC[N@@H+]1CC2C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030276849	0	52	0.0	-68.09	383.99	0.37	-67.72
CC1CN2CC[N@H+]1CC2C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030276849	1	52	0.0	-80.33	383.59	0.44	-79.89
O=C(CC1=CC2=C[NH+]=CN2C=C1)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030276908	0	47	0.0	-71.51	386.50	5.55	-65.96
C[N@H+](CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300030276936	0	50	0.0	-77.90	390.55	3.73	-74.17
C[N@@H+](CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300030276936	1	50	0.0	-76.07	391.95	3.70	-72.37
C[NH+](C)CC1=CC(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC=N1	REAL300030276970	1	51	0.0	-73.06	406.25	3.01	-70.05
C[N@@H+]1CCC(=CC(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030276971	0	47	0.0	-77.40	370.17	3.11	-74.29
C[N@H+]1CCC(=CC(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030276971	1	47	0.0	-76.16	369.83	2.99	-73.17
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1C[NH+](C2CCCCC2)C1	REAL300030276996	0	56	0.0	-76.59	423.24	4.82	-71.77
C[NH+](C)CCOCC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030277010	0	49	0.0	-74.34	388.17	2.56	-71.78
CCCCC[N@H+](C)CCC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030277017	0	57	0.0	-76.58	436.56	4.90	-71.68
CCCCC[N@@H+](C)CCC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030277017	1	57	0.0	-75.37	435.80	5.01	-70.36
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030277026	0	53	0.0	-71.58	410.44	3.34	-68.24
C=CCC(C)(C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030277038	0	52	0.0	-65.18	386.69	3.51	-61.67
C[S+](C)CCC(O)C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030277043	0	48	0.0	-79.92	397.26	1.11	-78.81
CN1CC[N@H+](C)CC(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030277088	0	54	0.0	-71.73	400.30	0.97	-70.76
CN1CC[N@@H+](C)CC(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030277088	1	54	0.0	-71.73	400.30	0.97	-70.76
CC(C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[N@@H+]1CCCC(O)C1	REAL300030277089	0	53	0.0	-71.52	401.08	0.49	-71.03
O=C(CN1CCC(CO)CC1)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030277103	0	53	0.0	-77.62	405.49	0.55	-77.07
O=C(C[NH+]1CCC(CO)CC1)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030277103	1	53	0.0	-77.62	405.49	0.55	-77.07
C[N@@H+]1CCCC(O)(CC(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030277114	0	53	0.0	-69.54	401.52	1.79	-67.75
C[N@H+]1CCCC(O)(CC(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030277114	1	53	0.0	-69.54	401.52	1.79	-67.75
CC1CN(CC(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030277118	0	46	0.0	-73.71	363.36	2.48	-71.23
CC1C[NH+](CC(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030277118	1	46	0.0	-73.71	363.36	2.48	-71.23
CN(CCO)CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030277146	0	46	0.0	-72.43	359.29	-1.10	-73.53
C[N@H+](CCO)CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030277146	1	46	0.0	-73.13	359.05	-1.09	-74.22
C[N@@H+](CCO)CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030277146	1	46	0.0	-73.13	359.05	-1.09	-74.22
C[NH+]1C2CCC1CC(=CC(=O)N[C@]13CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030277167	0	54	0.0	-69.27	404.24	4.38	-64.89
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1C[N@@H+]2CCN1CCC2	REAL300030277171	0	52	0.0	-85.65	378.56	1.11	-84.54
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1C[N@H+]2CCN1CCC2	REAL300030277171	1	52	0.0	-85.65	378.56	1.11	-84.54
CC[N@@H+]1CCCC(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030277178	0	52	0.0	-62.47	387.38	3.88	-58.59
CC[N@H+]1CCCC(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030277178	1	52	0.0	-62.47	387.38	3.88	-58.59
CC(CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300030277180	0	51	0.0	-74.67	388.37	3.45	-71.22
CC[N@H+](C)CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030277195	0	45	0.0	-74.88	350.04	2.19	-72.69
CC[N@H+](CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030277253	0	49	0.0	-70.83	377.72	3.41	-67.42
CC[NH+](CC)CCC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030277272	0	51	0.0	-73.37	384.81	3.11	-70.26
O=C(CCCC[NH+]1CCCCC1)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030277309	0	58	0.0	-73.37	438.21	5.48	-67.89
CC1(O)CC[N@H+](CC(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030277337	0	50	0.0	-72.06	387.78	-0.10	-72.16
C[NH+](C)CC=CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030277347	0	46	0.0	-78.32	368.26	2.76	-75.56
CC(OCC[NH+](C)C)C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030277368	0	52	0.0	-73.36	407.76	3.09	-70.27
C[NH+](C)CCOCCC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030277380	0	52	0.0	-72.79	408.91	2.17	-70.62
COCCN(C)CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030277381	0	49	0.0	-73.26	381.30	1.31	-71.95
COCC[N@H+](C)CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030277381	1	49	0.0	-72.62	381.54	1.30	-71.32
COCC[N@@H+](C)CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030277381	1	49	0.0	-72.62	381.54	1.30	-71.32
COCCCC[N@H+](C)CCC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030277409	0	58	0.0	-78.35	447.97	3.30	-75.05
COCCCC[N@@H+](C)CCC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030277409	1	58	0.0	-78.35	447.97	3.30	-75.05
CC(CCC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030277432	0	51	0.0	-78.02	385.45	3.13	-74.89
CCN1CCC1C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030277443	0	46	0.0	-71.65	356.90	2.10	-69.55
CC[N@@H+]1CCC1C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030277443	1	46	0.0	-70.58	356.52	2.05	-68.53
CC[N@H+]1CCC1C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030277443	1	46	0.0	-70.58	356.52	2.05	-68.53
CC(C)[N@@H+]1CCCC(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030277457	0	55	0.0	-61.52	403.98	4.38	-57.14
CC(C)[N@H+]1CCCC(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030277457	1	55	0.0	-61.52	403.98	4.38	-57.14
CC(C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[N@H+](C)CC1=CC=CC=C1	REAL300030277463	0	55	0.0	-75.94	426.59	5.37	-70.57
O=C(C[N@H+]1CCCC1CO)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030277472	0	50	0.0	-70.40	377.50	-0.07	-70.47
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@@H+]2C1	REAL300030277496	0	53	0.0	-71.02	399.37	4.10	-66.92
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@H+]2C1	REAL300030277496	1	53	0.0	-71.02	399.37	4.10	-66.92
CC(C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)N1CCC(O)CC1	REAL300030277523	0	53	0.0	-74.66	402.08	0.38	-74.28
CC(C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC(O)CC1	REAL300030277523	1	53	0.0	-74.66	402.08	0.38	-74.28
C=CCC(C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030277539	0	49	0.0	-74.94	378.92	3.21	-71.73
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030277553	0	52	0.0	-71.01	397.65	3.61	-67.40
C[NH+](C)CCCCCC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030277558	0	54	0.0	-74.15	418.07	4.40	-69.75
CC1C[N@@H+]2CCN1C(C(=O)N[C@]13CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030277604	0	52	0.0	-70.79	371.41	0.74	-70.05
CCCC(C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030277605	0	51	0.0	-74.81	386.80	3.46	-71.35
CC[NH+](CC)CCSCC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030277648	0	55	0.0	-78.55	430.44	4.57	-73.98
C[N@@H+]1CCCCC1C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030277657	0	49	0.0	-68.70	373.30	2.99	-65.71
C[N@H+]1CC=C(CC(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030277706	0	50	0.0	-67.71	390.54	3.74	-63.97
C[N@@H+]1CC=C(CC(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030277706	1	50	0.0	-67.71	390.54	3.74	-63.97
O=C(CC1([NH+]2CCCC2)CC1)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030277716	0	53	0.0	-67.48	397.53	4.16	-63.32
C[NH+](C)CC1=CC=C(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030277770	1	49	0.0	-80.43	394.70	3.18	-77.25
C[NH+](C)CC1=CC=C(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C=N1	REAL300030277775	0	51	0.0	-79.27	405.13	3.49	-75.78
O=C(C=CC[NH+]1CCCC1)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030277790	0	50	0.0	-75.46	392.98	3.73	-71.73
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[NH+](C2CC2)CC1	REAL300030277815	0	53	0.0	-74.34	405.98	4.43	-69.91
O=C(CC[NH+]1CCCC1)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030277837	0	49	0.0	-75.79	380.63	3.25	-72.54
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1C[NH+]2CCN1CC2	REAL300030277883	0	49	0.0	-83.28	368.03	-0.15	-83.43
O=C(C[N@@H+]1CC2CCC1C2)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030277906	0	50	0.0	-72.58	376.51	3.41	-69.17
O=C(C[N@H+]1CC2CCC1C2)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030277906	1	50	0.0	-67.15	378.20	3.53	-63.62
CC(C)[NH+]1CCC(CC(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030277919	0	58	0.0	-69.90	429.81	5.09	-64.81
O=C(C=C1C[NH+]2CCC1CC2)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030277965	0	51	0.0	-66.51	387.77	3.78	-62.73
O=C(C[N@@H+]1CC2C=CC1C2)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030277977	1	48	0.0	-70.11	371.21	3.26	-66.85
O=C(C[N@H+]1CC2C=CC1C2)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030277977	1	48	0.0	-63.03	370.44	3.35	-59.68
C[NH+](C)CC(C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300030278007	0	55	0.0	-80.56	428.21	5.46	-75.10
CC[NH+]1CCN(CC(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030278009	0	54	0.0	-72.21	409.04	1.72	-70.49
CC(C[NH+](C)C)C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030278030	0	48	0.0	-69.33	369.45	2.87	-66.46
C[N@@H+]1CCCCC1CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030278121	0	52	0.0	-57.95	382.78	3.51	-54.44
C[N@H+]1CCCCC1CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030278121	1	52	0.0	-67.50	382.94	3.53	-63.97
CC1=C2C=C(C(=O)N[C@]34CC[C@H]3CN(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300030278139	1	47	0.0	-77.03	384.45	5.49	-71.54
CC(C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CC(C)C1	REAL300030278140	1	49	0.0	-68.98	380.40	3.16	-65.82
CC1CC[N@@H+]1CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030278144	1	46	0.0	-74.01	364.01	2.64	-71.37
CC1CC[N@H+]1CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030278144	1	46	0.0	-65.07	356.83	2.28	-62.79
C[NH+](C)CC(O)CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030278148	0	49	0.0	-77.50	383.92	0.42	-77.08
CC1C[N@H+](C)CC(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030278181	1	50	0.0	-84.57	390.19	2.52	-82.05
CC1C[N@@H+](C)CC(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030278181	1	50	0.0	-83.50	382.89	2.50	-81.00
O=C(CC[NH+]1CCC(O)CC1)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030278193	0	53	0.0	-76.50	405.84	0.53	-75.97
CCC[N@@H+]1CCCCC1C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030278196	0	55	0.0	-67.24	412.19	4.51	-62.73
CCC[N@H+]1CCCCC1C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030278196	1	55	0.0	-65.68	403.28	4.23	-61.45
CC[NH+]1CCN(CCC(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030278201	0	57	0.0	-75.17	429.77	2.02	-73.15
CCN1CC[NH+](CCC(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030278201	1	57	0.0	-74.19	429.81	2.13	-72.06
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300030278204	0	56	0.0	-75.28	402.84	4.28	-71.00
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300030278204	1	56	0.0	-65.88	406.11	4.88	-61.00
CC(C)C[NH+]1CCC(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030278249	0	58	0.0	-77.89	433.28	5.11	-72.78
C[NH+](C)C1CCN(CC(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030278268	0	57	0.0	-70.04	425.19	2.13	-67.91
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030278289	0	49	0.0	-67.58	381.23	3.15	-64.43
CC(CC[NH+](C)C)C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030278297	0	51	0.0	-73.79	392.13	3.26	-70.53
C[N@H+](CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300030278326	0	53	0.0	-68.75	402.15	0.78	-67.97
C[N@@H+](CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300030278326	1	53	0.0	-70.44	402.01	0.87	-69.57
C[NH+](C)C(CC1=CC=CC=C1)C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030278338	0	55	0.0	-76.28	424.66	6.07	-70.21
C[NH+]1CCN(CC(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030278340	1	51	0.0	-73.21	391.30	1.04	-72.17
CC[NH+]1CCN(CC(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030278351	0	54	0.0	-72.21	409.04	1.72	-70.49
NC(=[NH2+])SCC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030278378	0	40	0.0	-77.43	340.83	-1.60	-79.03
CCN1CCOCC1CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030278421	0	53	0.0	-69.83	395.15	1.74	-68.09
CC[N@@H+]1CCOCC1CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030278421	1	53	0.0	-73.84	394.79	1.69	-72.15
CC[N@H+]1CCOCC1CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030278421	1	53	0.0	-73.84	394.79	1.69	-72.15
CC1CCCC(C)[NH+]1CCC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030278437	0	58	0.0	-71.66	422.68	4.48	-67.18
C[NH+](C)C1CCC(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030278440	0	55	0.0	-72.41	404.38	4.06	-68.35
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030278444	0	55	0.0	-72.33	403.97	4.06	-68.27
C[N@@H+]1CC=CCC1CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030278445	0	50	0.0	-69.95	382.23	3.50	-66.45
C[N@H+]1CC=CCC1CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030278445	1	50	0.0	-69.95	382.23	3.50	-66.45
C[C@@H](OCC[NH+](C)C)C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030278471	0	52	0.0	-71.15	406.67	3.10	-68.05
C[NH+]1C2CCC1CC(C(=O)N[C@]13CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030278500	0	53	0.0	-75.55	391.81	3.59	-71.96
CC(C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCSCC1	REAL300030278634	1	50	0.0	-73.76	390.39	3.47	-70.29
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1C[NH+](C2CCOCC2)C1	REAL300030278638	0	54	0.0	-79.95	415.15	2.40	-77.55
C[N@H+]1CCC[C@H]1C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030278648	1	46	0.0	-69.03	350.30	1.99	-67.04
O=C(CC[N@@H+]1CCC(F)C1)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030278657	1	49	0.0	-77.21	385.48	3.30	-73.91
O=C(CC[NH+]1CCCCCC1)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030278677	0	55	0.0	-76.04	405.70	4.02	-72.02
O=C(C[NH+]1CCCCC1)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030278680	0	49	0.0	-72.18	373.32	3.35	-68.83
CC1C(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030278688	0	49	0.0	-72.87	373.24	2.87	-70.00
CC1C(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030278688	1	49	0.0	-71.43	372.98	2.99	-68.44
C[N@@H+]1CCCCC1CCC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030278691	0	55	0.0	-78.05	406.05	4.10	-73.95
C[N@H+]1CCCCC1CCC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030278691	1	55	0.0	-71.01	405.15	4.14	-66.87
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@@H+]2CCOCC12	REAL300030278722	0	51	0.0	-71.40	386.64	1.67	-69.73
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@H+]2CCOCC12	REAL300030278722	1	51	0.0	-64.71	386.36	1.75	-62.96
CC1=[NH+]C=C2C=CC(C(=O)N[C@]34CC[C@H]3CN(C(=O)C3=CC(=O)[N-]O3)C4)=CN21	REAL300030278729	0	47	0.0	-70.28	383.67	4.69	-65.59
CN1CCOCC1CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030278751	0	50	0.0	-67.76	374.16	1.12	-66.64
C[N@@H+]1CCOCC1CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030278751	1	50	0.0	-67.31	374.76	1.06	-66.25
C[N@H+]1CCOCC1CC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030278751	1	50	0.0	-67.76	374.16	1.12	-66.64
CC1=C(C)[NH+]=C(CCC(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300030278762	1	50	0.0	-67.71	401.44	2.77	-64.94
C[NH+](C)CCC1=CC=CC(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030278771	0	55	0.0	-76.75	432.73	5.71	-71.04
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCN1CC1=CC=CC=C1	REAL300030278774	0	53	0.0	-70.10	422.57	5.45	-64.65
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300030278774	1	53	0.0	-73.00	422.53	5.41	-67.59
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@H+]1CC1=CC=CC=C1	REAL300030278774	1	53	0.0	-70.10	422.57	5.45	-64.65
CC(C)C[N@@H+]1CCCC(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030278778	0	58	0.0	-72.36	433.28	5.07	-67.29
CC(C)C[N@H+]1CCCC(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030278778	1	58	0.0	-69.97	432.58	5.13	-64.84
C[N@@H+]1CCCC1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030278943	0	46	0.0	-70.20	352.56	2.06	-68.14
C[N@H+]1CCCC1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030278943	1	46	0.0	-74.31	353.64	2.01	-72.30
C[N@@H+]1CCOC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030278969	1	47	0.0	-80.51	359.35	1.63	-78.88
C[N@H+]1CCOC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030278969	1	47	0.0	-91.18	366.91	1.78	-89.40
CC1=[NH+]C=CN1CCCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030279142	1	50	0.0	-74.85	405.49	4.44	-70.41
O=C(CCCC[NH+]1CCOCC1)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030279146	1	56	0.0	-79.91	432.14	3.18	-76.73
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300030279152	0	52	0.0	-87.66	408.04	4.64	-83.02
O=C(CC[NH+]1CCOCC1)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030279153	1	50	0.0	-81.03	390.56	1.72	-79.31
C[NH+](C)C(C)(C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300030279173	0	55	0.0	-81.66	399.95	4.76	-76.90
CCC[NH+](CCC)CCCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030279181	0	60	0.0	-77.59	452.12	5.55	-72.04
CC[N@H+](C)C(C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300030279182	0	55	0.0	-70.45	424.96	5.46	-64.99
CC[N@@H+](C)C(C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300030279182	1	55	0.0	-71.43	423.71	5.59	-65.84
O=C(N[C@]12CC[C@H]1CN(C(=O)C13CCC[NH+]1CCC3)C2)C1=CC(=O)[N-]O1	REAL300030279200	0	50	0.0	-70.57	372.00	2.91	-67.66
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC3=C[NH+]=CN3C=C1)C2)C1=CC(=O)[N-]O1	REAL300030279218	1	44	0.0	-82.21	369.70	4.92	-77.29
C[NH+](C)C1CCCC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030279298	0	55	0.0	-73.96	408.35	4.11	-69.85
C[N@@H+]1CCC(CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030279305	0	49	0.0	-79.38	381.56	3.10	-76.28
C[N@H+]1CCC(CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030279305	1	49	0.0	-77.36	381.20	3.15	-74.21
CN(C)C1=CC=[NH+]C=C1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030279319	0	48	0.0	-82.14	383.75	1.55	-80.59
CCC(C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030279325	0	48	0.0	-70.60	361.84	2.45	-68.15
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=NN(C3=CC=[NH+]C=C3)C=C1)C2)C1=CC(=O)[N-]O1	REAL300030279335	1	47	0.0	-88.85	392.02	3.23	-85.62
CC1CC2CCC(C(=O)N3C[C@@H]4CC[C@]4(NC(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300030279387	0	56	0.0	-74.75	413.99	4.71	-70.04
CC1CC2CCC(C(=O)N3C[C@@H]4CC[C@]4(NC(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300030279387	1	56	0.0	-53.86	421.66	4.77	-49.09
C[NH+](C)CCCCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030279425	0	51	0.0	-79.18	399.40	3.76	-75.42
CC(C)C(C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030279449	0	51	0.0	-69.72	377.37	3.05	-66.67
CCC[N@H+](C)CCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030279451	0	51	0.0	-78.22	395.63	3.59	-74.63
CCC[N@@H+](C)CCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030279451	1	51	0.0	-76.78	395.46	3.56	-73.22
CCC[N@H+](C)CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030279458	0	48	0.0	-74.30	373.27	3.00	-71.30
CCC[N@@H+](C)CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030279458	1	48	0.0	-74.37	373.27	3.00	-71.37
O=C(N[C@]12CC[C@H]1CN(C(=O)C13CC[N@H+](C1)CCC3)C2)C1=CC(=O)[N-]O1	REAL300030279489	0	50	0.0	-78.48	367.68	2.33	-76.15
O=C(N[C@]12CC[C@H]1CN(C(=O)C13CC[N@@H+](C1)CCC3)C2)C1=CC(=O)[N-]O1	REAL300030279489	1	50	0.0	-78.67	367.59	2.53	-76.14
CCCCCC[N@H+](C)CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030279543	0	57	0.0	-75.56	437.76	5.35	-70.21
CCCCCC[N@@H+](C)CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030279543	1	57	0.0	-75.57	437.76	5.35	-70.22
CC[NH+](CC)C(C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300030279554	0	57	0.0	-71.24	408.41	4.17	-67.07
CC1CC[NH+](CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030279599	0	52	0.0	-76.26	397.07	3.99	-72.27
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CN(C3=CC=[NH+]C=C3)N=C1)C2)C1=CC(=O)[N-]O1	REAL300030279631	1	47	0.0	-82.07	387.41	2.57	-79.50
C[NH+]1CCC(OCC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030279641	0	53	0.0	-84.03	414.87	3.66	-80.37
O=C(N[C@]12CC[C@H]1CN(C(=O)C1CC3CCCC[N@@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300030279714	0	53	0.0	-75.50	398.97	4.09	-71.41
O=C(N[C@]12CC[C@H]1CN(C(=O)C1CC3CCCC[N@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300030279714	1	53	0.0	-77.10	397.35	4.03	-73.07
C[NH+](C)CC1(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030279730	0	49	0.0	-76.41	382.23	3.30	-73.11
CC1=[NH+]C=C2CCC(C(=O)N3C[C@@H]4CC[C@]4(NC(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300030279731	1	51	0.0	-71.08	401.93	4.24	-66.84
CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030279743	0	55	0.0	-61.25	410.60	4.03	-57.22
CC[N@H+](C)CCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030279783	0	48	0.0	-77.44	374.13	2.85	-74.59
CC[N@@H+](C)CCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030279783	1	48	0.0	-76.03	373.96	2.82	-73.21
CC(C)(C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300030279819	0	55	0.0	-72.14	392.38	4.38	-67.76
O=C(N[C@]12CC[C@H]1CN(C(=O)C1C[NH+]3CCC1CC3)C2)C1=CC(=O)[N-]O1	REAL300030279838	0	50	0.0	-80.58	371.75	3.14	-77.44
C[NH+]1CCC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030279940	0	49	0.0	-63.93	379.93	3.06	-60.87
CC(C)[C@H](C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030279963	0	51	0.0	-68.02	377.77	2.97	-65.05
O=C(N[C@]12CC[C@H]1CN(C(=O)C1CC[NH+](CC3CC3)CC1)C2)C1=CC(=O)[N-]O1	REAL300030280065	0	56	0.0	-81.41	424.34	5.12	-76.29
CC[NH+](CC)CC(F)C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030280113	0	51	0.0	-77.85	397.09	3.45	-74.40
C[NH+](C)CC1=C(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)SC=C1	REAL300030280114	0	49	0.0	-58.79	394.36	3.70	-55.09
CC(C)C[N@@H+]1CCC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030280161	0	55	0.0	-74.63	415.96	4.44	-70.19
CC(C)C[N@H+]1CCC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030280161	1	55	0.0	-75.20	415.28	4.37	-70.83
C[NH+](C)C1(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300030280165	0	49	0.0	-80.85	366.93	2.91	-77.94
CCC(C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030280204	0	54	0.0	-66.01	395.58	3.68	-62.33
CC1CCC[N@@H+]1CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030280236	0	49	0.0	-71.64	373.99	3.06	-68.58
CC1CCC[N@H+]1CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030280236	1	49	0.0	-72.61	379.66	3.20	-69.41
CC(C)C1=[NH+]C=CN1CCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030280335	1	53	0.0	-71.05	419.95	4.68	-66.37
CC(C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300030280342	0	55	0.0	-70.27	401.79	4.05	-66.22
CC(C)[N@@H+]1CCCCC1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030280345	0	55	0.0	-69.90	397.29	3.74	-66.16
CC(C)[N@H+]1CCCCC1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030280345	1	55	0.0	-69.62	397.83	3.87	-65.75
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030280380	0	52	0.0	-70.00	383.90	3.76	-66.24
CC(C)[N@H+]1CCCC1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030280380	1	52	0.0	-68.83	388.91	3.45	-65.38
C[NH+](C)C(CN1C=CC=N1)C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030280387	1	52	0.0	-64.78	400.88	3.00	-61.78
CC(C)[N@@H+]1CCCC1CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030280393	0	55	0.0	-66.61	403.78	4.05	-62.56
CC(C)[N@H+]1CCCC1CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030280393	1	55	0.0	-73.50	413.75	4.20	-69.30
O=C(N[C@]12CC[C@H]1CN(C(=O)C1CCC[N@@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300030280394	0	56	0.0	-74.88	405.23	5.06	-69.82
O=C(N[C@]12CC[C@H]1CN(C(=O)C1CCC[N@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300030280394	1	56	0.0	-72.10	418.88	4.85	-67.25
CC(C)[C@@H](C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030280421	0	51	0.0	-74.59	377.16	3.10	-71.49
CC1CC[N@H+](CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030280458	0	49	0.0	-74.89	381.03	3.45	-71.44
CC1CC[N@@H+](CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030280458	1	49	0.0	-72.32	379.89	3.27	-69.05
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030280459	0	55	0.0	-68.34	411.98	3.77	-64.57
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030280459	1	55	0.0	-69.87	412.65	3.74	-66.13
CC1=[NH+]C=C2CC(C(=O)N3C[C@@H]4CC[C@]4(NC(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300030280461	1	51	0.0	-75.35	403.73	4.29	-71.06
C[NH+](C)CCC1=CC=C(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300030280463	0	55	0.0	-88.59	430.54	5.48	-83.11
CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030280465	0	52	0.0	-73.62	399.47	3.83	-69.79
CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030280465	1	52	0.0	-74.67	399.48	3.76	-70.91
C[N@H+](CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030280466	0	54	0.0	-75.68	402.31	3.89	-71.79
C[N@@H+](CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030280466	1	54	0.0	-75.20	405.46	4.25	-70.95
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030280467	0	55	0.0	-77.76	433.17	6.04	-71.72
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030280467	1	55	0.0	-77.70	433.17	6.04	-71.66
CC[C@@H](C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030280479	0	48	0.0	-73.69	365.76	2.62	-71.07
CC(COCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300030280487	0	56	0.0	-74.35	433.48	4.34	-70.01
CN(CCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300030280660	0	51	0.0	-74.18	410.02	3.36	-70.82
CC1=[NH+]C=CN1CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030280793	1	44	0.0	-71.63	364.32	3.09	-68.54
CC(C[NH+]1CCOCC1)C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030280795	0	53	0.0	-65.47	404.79	2.21	-63.26
O=C(CCC[NH+]1CCCCC1)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030280817	0	55	0.0	-78.24	419.99	4.76	-73.48
C[NH+](C)CC1=CC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300030280840	1	48	0.0	-82.13	391.21	2.76	-79.37
CC1=C(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300030280842	0	47	0.0	-79.46	387.11	5.12	-74.34
CC(C)C1=[NH+]C=CN1CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030280896	1	50	0.0	-70.64	400.15	4.22	-66.42
O=C(N[C@]12CC[C@H]1CN(C(=O)C1CCCC3CCC[N@@H+]31)C2)C1=CC(=O)[N-]O1	REAL300030280953	0	53	0.0	-68.13	394.44	4.04	-64.09
O=C(N[C@]12CC[C@H]1CN(C(=O)C1CCCC3CCC[N@H+]31)C2)C1=CC(=O)[N-]O1	REAL300030280953	1	53	0.0	-71.58	387.52	3.73	-67.85
CC[N@@H+]1CCOC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030280991	1	50	0.0	-85.87	384.30	2.54	-83.33
CC[N@H+]1CCOC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030280991	1	50	0.0	-88.99	384.70	2.43	-86.56
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CN3C=[NH+]C=C3C=C1)C2)C1=CC(=O)[N-]O1	REAL300030281076	0	44	0.0	-80.26	369.59	4.92	-75.34
CC1=C[NH+]=CN1CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030281081	1	44	0.0	-74.59	364.73	4.01	-70.58
C[NH+](C)CCN1C=C(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300030281087	0	52	0.0	-82.95	413.07	2.74	-80.21
C[NH+](C)CCN1C=CC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030281103	0	52	0.0	-91.60	417.02	3.29	-88.31
C[C@@H]1[C@H](C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030281110	0	49	0.0	-78.48	370.13	2.80	-75.68
C[C@@H]1[C@H](C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030281110	1	49	0.0	-77.58	375.06	3.09	-74.49
CCC1=[NH+]C=CN1C(C)CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030281113	1	53	0.0	-71.35	420.44	4.74	-66.61
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030281116	0	52	0.0	-78.83	387.40	3.18	-75.65
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030281116	1	52	0.0	-77.70	393.79	3.45	-74.25
CC1CCC(C)[NH+]1CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030281141	0	52	0.0	-73.59	382.81	3.11	-70.48
O=C(CCC[NH+]1CCCC1)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030281148	0	52	0.0	-77.45	403.73	3.99	-73.46
C[NH+](C)CC1=CC=CC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030281149	0	52	0.0	-86.73	408.54	4.72	-82.01
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030281157	0	51	0.0	-64.30	405.11	4.26	-60.04
O=C(CC[NH+]1CCCCC1)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030281158	0	52	0.0	-75.37	397.41	3.99	-71.38
C[NH+](C)CC1=CC=CC=C1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030281163	0	52	0.0	-58.93	406.86	4.63	-54.30
CC[N@@H+]1CCCCC1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030281173	0	52	0.0	-69.92	391.12	3.68	-66.24
CC[N@H+]1CCCCC1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030281173	1	52	0.0	-70.54	393.10	3.84	-66.70
CC(C)C(C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300030281174	0	58	0.0	-69.60	422.04	4.89	-64.71
C[NH+](C)C(C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300030281177	1	52	0.0	-72.02	401.66	4.71	-67.31
O=C(CN1C=[NH+]C2=C1CCCC2)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030281186	1	51	0.0	-74.38	406.07	5.57	-68.81
C[NH+](C)CC1(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CCCCC1	REAL300030281235	0	58	0.0	-78.64	405.34	4.67	-73.97
C[NH+](C)CCC1=CC=CC=C1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030281236	0	55	0.0	-56.30	428.08	5.36	-50.94
C[N@H+](CCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300030281242	0	58	0.0	-79.70	432.89	5.14	-74.56
C[N@@H+](CCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300030281242	1	58	0.0	-79.64	432.89	5.15	-74.49
C[NH+](C)C1(CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030281245	0	55	0.0	-79.01	396.97	3.98	-75.03
C[N@H+](CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030281507	0	49	0.0	-72.88	381.38	3.67	-69.21
C[N@@H+](CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030281507	1	49	0.0	-73.56	380.66	3.47	-70.09
CC(C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300030281544	0	55	0.0	-72.47	402.39	3.95	-68.52
O=C(CCCC[NH+]1CCCC1)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030281564	0	55	0.0	-78.27	426.26	4.84	-73.43
C[N@H+](CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300030281567	1	52	0.0	-80.59	411.13	5.11	-75.48
C[N@@H+](CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300030281567	1	52	0.0	-79.13	410.75	5.18	-73.95
C[NH+]1CCC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030281585	0	49	0.0	-63.93	379.93	3.06	-60.87
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030281662	0	46	0.0	-70.19	352.59	2.06	-68.13
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030281662	1	46	0.0	-69.89	356.60	2.40	-67.49
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030281688	1	48	0.0	-72.25	380.48	3.39	-68.86
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030281688	1	48	0.0	-72.01	382.25	3.64	-68.37
C[N@@H+]1CCCC1CCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030281698	0	52	0.0	-75.81	396.77	3.56	-72.25
C[N@H+]1CCCC1CCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030281698	1	52	0.0	-76.19	396.34	3.56	-72.63
O=C(N[C@]12CC[C@H]1CN(C(=O)C13CCC[NH+](CCC1)C3)C2)C1=CC(=O)[N-]O1	REAL300030281712	0	53	0.0	-65.57	381.26	3.30	-62.27
O=C(N[C@]12CC[C@H]1CN(C(=O)C1CCC3CCCC[N@@H+]31)C2)C1=CC(=O)[N-]O1	REAL300030281720	0	53	0.0	-71.11	394.09	4.01	-67.10
O=C(N[C@]12CC[C@H]1CN(C(=O)C1CCC3CCCC[N@H+]31)C2)C1=CC(=O)[N-]O1	REAL300030281720	1	53	0.0	-72.16	395.62	4.11	-68.05
CCC[N@@H+]1CCCC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030281826	0	55	0.0	-73.43	409.50	4.60	-68.83
CCC[N@H+]1CCCC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030281826	1	55	0.0	-59.05	417.22	4.45	-54.60
CC(C)[N@@H+]1CCOC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030281850	1	53	0.0	-62.57	402.89	3.00	-59.57
CC(C)[N@H+]1CCOC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030281850	1	53	0.0	-62.34	394.00	2.79	-59.55
CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030281871	0	56	0.0	-79.92	407.29	2.23	-77.69
C[N@@H+]1CCCCC1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030281892	0	49	0.0	-71.00	366.98	2.78	-68.22
C[N@H+]1CCCCC1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030281892	1	49	0.0	-68.35	373.43	3.11	-65.24
CC(C)C[N@@H+]1CCCC1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030281927	0	55	0.0	-70.38	411.55	4.10	-66.28
CC(C)C[N@H+]1CCCC1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030281927	1	55	0.0	-74.27	405.95	4.69	-69.58
O=C(C[NH+]1CCC(CO)CC1)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030281948	0	53	0.0	-76.82	408.93	0.86	-75.96
C[NH+]1C2CCC1CC(=CC(=O)N1C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030281990	0	54	0.0	-74.32	406.63	4.45	-69.87
CC1C(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030282012	0	49	0.0	-82.45	370.02	2.47	-79.98
CC1C(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030282012	1	49	0.0	-78.87	370.05	2.51	-76.36
C[N@@H+]1CCCCC1CCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030282016	0	55	0.0	-78.35	408.07	4.29	-74.06
C[N@H+]1CCCCC1CCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030282016	1	55	0.0	-81.66	408.90	4.26	-77.40
NC1=[NH+]C2=C(C=C1C(=O)N1C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C1)CCC2	REAL300030282061	1	49	0.0	-67.26	387.01	2.30	-64.96
CC(C)(C)[N@@H+]1CCC1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030282153	0	52	0.0	-70.36	396.11	3.22	-67.14
CC(C)(C)[N@H+]1CCC1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030282153	1	52	0.0	-71.92	394.29	3.32	-68.60
O=C(N[C@]12CC[C@H]1CN(C(=O)C1CCN(C3=CC=[NH+]C=C3)C1)C2)C1=CC(=O)[N-]O1	REAL300030282173	0	52	0.0	-73.46	405.72	1.86	-71.60
C[C@@H](C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030282178	0	45	0.0	-73.54	350.40	1.99	-71.55
C[NH+](C)CC1=CC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)=CC=N1	REAL300030282200	1	51	0.0	-74.19	402.12	3.10	-71.09
C=CCC(C)(C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030282206	0	52	0.0	-66.26	380.24	3.13	-63.13
CC[NH+](CC)CCSCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030282240	0	55	0.0	-80.93	433.06	4.58	-76.35
NC1=C(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]C2=CC=CC=C21	REAL300030282241	1	48	0.0	-68.78	385.09	1.76	-67.02
O=C(CC[NH+]1CCCC1)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030282246	0	49	0.0	-76.94	381.34	3.29	-73.65
C[N@H+](CCO)CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030282256	1	46	0.0	-75.64	362.12	-0.98	-76.62
C[N@@H+](CCO)CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030282256	1	46	0.0	-74.58	361.90	-0.99	-75.57
O=C(N[C@]12CC[C@H]1CN(C(=O)C1C[N@@H+]3CCN1CCC3)C2)C1=CC(=O)[N-]O1	REAL300030282302	0	52	0.0	-84.48	381.59	1.19	-83.29
O=C(N[C@]12CC[C@H]1CN(C(=O)C1C[N@H+]3CCN1CCC3)C2)C1=CC(=O)[N-]O1	REAL300030282302	1	52	0.0	-84.08	376.19	0.99	-83.09
CC(C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300030282339	1	50	0.0	-75.80	391.97	3.43	-72.37
C[N@H+]1CC=C(CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030282394	0	50	0.0	-72.46	393.04	3.93	-68.53
C[N@@H+]1CC=C(CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030282394	1	50	0.0	-70.53	393.17	3.88	-66.65
C[S+](C)CCC(O)C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030282414	0	48	0.0	-65.34	394.94	0.99	-64.35
C[N@@H+]1CC(O)CC1(C)C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030282442	0	50	0.0	-82.69	373.35	-0.63	-83.32
C[N@H+]1CC(O)CC1(C)C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030282442	1	50	0.0	-71.44	374.87	-1.07	-72.51
CN1CC[N@H+](C)CC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030282460	0	54	0.0	-80.36	407.35	1.60	-78.76
CN1CC[N@@H+](C)CC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030282460	1	54	0.0	-81.10	405.40	1.43	-79.67
CC(C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300030282461	0	53	0.0	-71.48	403.76	0.51	-70.97
CC(C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300030282461	1	53	0.0	-69.57	400.69	0.52	-69.05
NC1=[NH+]C=C2CCCC2=C1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030282498	0	49	0.0	-73.46	395.47	2.34	-71.12
C[N@@H+]1CCCC(O)(CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030282506	0	53	0.0	-70.87	395.34	1.71	-69.16
C[N@H+]1CCCC(O)(CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030282506	1	53	0.0	-70.48	404.43	1.88	-68.60
CC1C[NH+](CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030282513	1	46	0.0	-75.66	364.12	2.74	-72.92
CC[N@@H+]1CCCC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030282521	0	52	0.0	-75.77	392.42	3.55	-72.22
CC[N@H+]1CCCC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030282521	1	52	0.0	-75.38	395.55	3.69	-71.69
NC1=[NH+]C=CC=C1CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030282535	0	45	0.0	-71.00	369.06	1.38	-69.62
O=C(N[C@]12CC[C@H]1CN(C(=O)C1CCC[N@@H+]1C1CC1)C2)C1=CC(=O)[N-]O1	REAL300030282551	0	50	0.0	-68.43	389.88	3.81	-64.62
O=C(N[C@]12CC[C@H]1CN(C(=O)C1CCC[N@H+]1C1CC1)C2)C1=CC(=O)[N-]O1	REAL300030282551	1	50	0.0	-73.67	384.85	3.50	-70.17
O=C(C=CC[NH+]1CCCC1)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030282614	0	50	0.0	-80.11	394.15	3.95	-76.16
O=C(N[C@]12CC[C@H]1CN(C(=O)C1CC[NH+](C3CC3)CC1)C2)C1=CC(=O)[N-]O1	REAL300030282646	0	53	0.0	-78.64	403.28	4.38	-74.26
CC[N@H+](C)CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030282704	0	45	0.0	-75.22	353.39	2.36	-72.86
O=C(CN1CC2C=CC1C2)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030282783	0	48	0.0	-69.54	372.86	3.45	-66.09
O=C(C[N@@H+]1CC2C=CC1C2)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030282783	1	48	0.0	-73.60	374.47	3.48	-70.12
O=C(C[N@H+]1CC2C=CC1C2)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030282783	1	48	0.0	-73.60	374.47	3.48	-70.12
CC1=CC=C(NCCC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)N=C1	REAL300030282808	0	51	0.0	-73.01	413.35	2.92	-70.09
CC1=CC=C(NCCC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)[NH+]=C1	REAL300030282808	1	51	0.0	-73.01	413.35	2.92	-70.09
O=C(N[C@]12CC[C@H]1CN(C(=O)C1C[NH+]3CCN1CC3)C2)C1=CC(=O)[N-]O1	REAL300030282892	0	49	0.0	-86.34	367.05	-0.27	-86.61
O=C(N[C@]12CC[C@H]1CN(C(=O)C13CCC[N@@H+]1CCCC3)C2)C1=CC(=O)[N-]O1	REAL300030282953	0	53	0.0	-69.57	382.84	3.39	-66.18
O=C(N[C@]12CC[C@H]1CN(C(=O)C13CCC[N@H+]1CCCC3)C2)C1=CC(=O)[N-]O1	REAL300030282953	1	53	0.0	-68.17	380.51	3.16	-65.01
O=C(N[C@]12CC[C@H]1CN(C(=O)C13CCC[N@@H+]1CC=CC3)C2)C1=CC(=O)[N-]O1	REAL300030282965	0	51	0.0	-67.73	375.21	3.32	-64.41
O=C(N[C@]12CC[C@H]1CN(C(=O)C13CCC[N@H+]1CC=CC3)C2)C1=CC(=O)[N-]O1	REAL300030282965	1	51	0.0	-69.45	375.97	3.14	-66.31
CC(OCC[NH+](C)C)C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030282979	0	52	0.0	-69.48	405.33	3.12	-66.36
C[NH+](C)CCOCCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030282992	0	52	0.0	-77.07	410.85	2.43	-74.64
COCC[N@H+](C)CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030282994	1	49	0.0	-74.17	384.15	1.42	-72.75
COCC[N@@H+](C)CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030282994	1	49	0.0	-76.94	384.81	1.35	-75.59
O=C(N[C@]12CC[C@H]1CN(C(=O)C1C[NH+](C3CCOC3)C1)C2)C1=CC(=O)[N-]O1	REAL300030282996	0	51	0.0	-80.66	400.82	1.95	-78.71
CC(CCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030283001	0	51	0.0	-81.02	387.31	3.32	-77.70
C[NH+]1CCC(=CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030283031	0	50	0.0	-75.59	386.65	3.85	-71.74
CC[N@H+](CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030283044	0	49	0.0	-71.28	383.51	3.52	-67.76
CC[N@@H+](CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030283044	1	49	0.0	-72.40	381.73	3.71	-68.69
C[NH+](C)C1(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CCCSC1	REAL300030283049	0	53	0.0	-85.99	385.44	3.93	-82.06
CC1C[N@@H+]2CCN1C(C(=O)N1C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030283064	0	52	0.0	-85.80	384.38	0.23	-85.57
CC1C[N@H+]2CCN1C(C(=O)N1C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030283064	1	52	0.0	-72.83	374.03	2.49	-70.34
C[N@@H+]1CC2CC1(C(=O)N1C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030283103	0	47	0.0	-77.74	358.85	2.87	-74.87
C[N@H+]1CC2CC1(C(=O)N1C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030283103	1	47	0.0	-79.17	357.86	2.69	-76.48
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030283115	1	49	0.0	-76.03	398.38	2.18	-73.85
O=C(C[N@@H+]1CC2CCC1C2)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030283124	0	50	0.0	-71.88	380.88	3.70	-68.18
O=C(C[N@H+]1CC2CCC1C2)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030283124	1	50	0.0	-73.03	382.65	3.81	-69.22
CC(C)[NH+]1CCC(CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030283142	0	58	0.0	-72.72	432.45	5.25	-67.47
CC(C[NH+](C)C)C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030283158	0	48	0.0	-77.69	367.90	2.61	-75.08
C[NH+](C)C1(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030283179	0	46	0.0	-78.46	355.98	2.21	-76.25
C[C@H](C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030283212	0	45	0.0	-71.25	350.21	1.88	-69.37
CC[N@@H+]1CCC1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030283226	1	46	0.0	-75.39	365.23	2.47	-72.92
CC[N@H+]1CCC1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030283226	1	46	0.0	-73.42	366.01	2.56	-70.86
CC(C)[N@@H+]1CCCC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030283244	0	55	0.0	-66.20	402.08	4.26	-61.94
CC(C)[N@H+]1CCCC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030283244	1	55	0.0	-75.37	413.81	4.35	-71.02
CCC(C)(C)[NH2+]C(C)C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030283272	0	54	0.0	-70.02	394.91	1.92	-68.10
C#CC[N@H+]1CCCCC1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030283332	1	51	0.0	-67.64	399.03	4.23	-63.41
C#CC[N@@H+]1CCCCC1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030283332	1	51	0.0	-71.18	398.55	4.21	-66.97
CNC1=[NH+]C(C)=CC=C1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030283336	1	48	0.0	-67.64	384.04	2.11	-65.53
NC1=CC=[NH+]C=C1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030283337	0	42	0.0	-75.54	342.16	-0.46	-76.00
C[NH+](C)C(CC1=CC=CC=C1)C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030283343	0	55	0.0	-82.69	419.91	5.47	-77.22
CCCC(C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030283350	0	51	0.0	-71.13	385.20	3.37	-67.76
C[NH+](C)C(C)(C)C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030283358	0	48	0.0	-77.29	353.49	2.05	-75.24
CC(CC[NH+](C)C)C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030283385	0	51	0.0	-77.84	389.54	3.24	-74.60
O=C(N[C@]12CC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]3CCCC[C@H]13)C2)C1=CC(=O)[N-]O1	REAL300030283454	0	56	0.0	-77.80	399.80	4.08	-73.72
O=C(N[C@]12CC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]3CCCC[C@H]13)C2)C1=CC(=O)[N-]O1	REAL300030283454	1	56	0.0	-54.55	407.47	4.84	-49.71
O=C(N[C@]12CC[C@H]1CN(C(=O)C13CC(C1)C[N@@H+]3C1CC1)C2)C1=CC(=O)[N-]O1	REAL300030283495	0	51	0.0	-76.74	386.07	4.46	-72.28
O=C(N[C@]12CC[C@H]1CN(C(=O)C13CC(C1)C[N@H+]3C1CC1)C2)C1=CC(=O)[N-]O1	REAL300030283495	1	51	0.0	-55.49	383.16	4.56	-50.93
COCCCC[N@H+](C)CCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030283547	0	58	0.0	-82.00	450.80	3.44	-78.56
COCCCC[N@@H+](C)CCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030283547	1	58	0.0	-80.62	450.64	3.43	-77.19
C[N@@H+]1CC(C)(C)CC1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030283559	0	52	0.0	-74.21	387.10	3.11	-71.10
C[N@H+]1CC(C)(C)CC1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030283559	1	52	0.0	-70.19	396.55	3.35	-66.84
C[NH+](C)CCCCCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030283565	0	54	0.0	-77.66	420.73	4.49	-73.17
O=C(CC[NH+]1CCC(O)CC1)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030283571	0	53	0.0	-80.70	410.77	0.81	-79.89
CCC[N@@H+]1CCCCC1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030283577	0	55	0.0	-71.40	415.16	4.63	-66.77
CCC[N@H+]1CCCCC1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030283577	1	55	0.0	-74.50	405.65	4.17	-70.33
CC[NH+]1CCN(CCC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030283588	0	57	0.0	-79.49	433.13	2.23	-77.26
CCN1CC[NH+](CCC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030283588	1	57	0.0	-78.94	433.90	2.37	-76.57
C[NH+]1CCN(CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030283592	1	51	0.0	-76.46	393.51	0.99	-75.47
CC(C)C[NH+]1CCC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030283735	0	58	0.0	-81.95	435.75	5.13	-76.82
CC1C[N@H+](C)CC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030283738	1	50	0.0	-89.02	381.08	2.50	-86.52
CC1C[N@@H+](C)CC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030283738	1	50	0.0	-67.21	388.51	2.58	-64.63
CCC1CCC[N@H+](CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030283780	0	55	0.0	-75.63	415.92	4.62	-71.01
CCC1CCC[N@@H+](CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030283780	1	55	0.0	-73.18	415.55	4.64	-68.54
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030283791	0	50	0.0	-63.61	396.17	2.92	-60.69
O=C(C[NH+]1CC2CC2C1)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030283816	0	47	0.0	-75.68	370.39	3.38	-72.30
O=C(CC1([NH+]2CCCC2)CC1)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030283839	0	53	0.0	-73.31	400.03	4.28	-69.03
CC([NH2+]C1(CO)CCCC1)C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030283862	0	56	0.0	-73.04	415.16	-0.58	-73.62
C[N@@H+]1CCCCC1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030283899	0	49	0.0	-71.00	366.98	2.78	-68.22
C[N@H+]1CCCCC1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030283899	1	49	0.0	-68.35	373.43	3.11	-65.24
O=C(N[C@]12CC[C@H]1CN(C(=O)C1CC[N@@H+]1CC1=CC=CC=C1)C2)C1=CC(=O)[N-]O1	REAL300030283907	1	53	0.0	-77.66	425.09	5.55	-72.11
O=C(N[C@]12CC[C@H]1CN(C(=O)C1CC[N@H+]1CC1=CC=CC=C1)C2)C1=CC(=O)[N-]O1	REAL300030283907	1	53	0.0	-72.99	414.73	5.22	-67.77
CC(C)C[N@@H+]1CCCC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030283914	0	58	0.0	-73.99	434.98	5.11	-68.88
CC(C)C[N@H+]1CCCC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030283914	1	58	0.0	-75.98	435.29	5.19	-70.79
C[NH+](C)C1CCN(CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030283989	0	57	0.0	-76.21	427.83	2.19	-74.02
C[N@@H+]1CCC(=CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030284071	0	47	0.0	-80.78	372.81	3.07	-77.71
C[N@H+]1CCC(=CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030284071	1	47	0.0	-78.82	370.91	3.15	-75.67
O=C(CNC1=CC=[NH+]C=C1)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030284079	0	45	0.0	-77.15	371.01	0.94	-76.21
CC[NH+]1CCN(CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030284152	0	54	0.0	-75.01	411.68	1.67	-73.34
O=C(C=C1C[NH+]2CCC1CC2)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030284155	0	51	0.0	-68.45	389.45	3.88	-64.57
C[NH+](C)C1(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030284211	0	52	0.0	-68.24	367.35	2.70	-65.54
C[N@H+](CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300030284228	0	53	0.0	-67.53	404.88	0.95	-66.58
C[N@@H+](CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300030284228	1	53	0.0	-71.01	405.38	0.75	-70.26
CCC1C[NH+](CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030284236	1	49	0.0	-74.01	386.62	3.42	-70.59
O=C(N[C@]12CC[C@H]1CN(C(=O)C1C[NH+](C3CCOCC3)C1)C2)C1=CC(=O)[N-]O1	REAL300030284240	0	54	0.0	-82.38	418.76	2.62	-79.76
O=C(N[C@]12CC[C@H]1CN(C(=O)C1([NH+]3CCCC3)CCC1)C2)C1=CC(=O)[N-]O1	REAL300030284243	0	53	0.0	-73.27	390.70	3.83	-69.44
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030284260	0	46	0.0	-71.24	355.99	2.26	-68.98
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030284260	1	46	0.0	-74.47	353.61	2.03	-72.44
CC[N@@H+]1CCOCC1CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030284302	0	53	0.0	-76.44	397.55	1.96	-74.48
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)NC3=C1CCC[NH2+]3)C2)C1=CC(=O)[N-]O1	REAL300030284311	0	50	0.0	-88.45	401.15	1.03	-87.42
O=C(N[C@]12CC[C@H]1CN(C(=O)C1C[NH+](C3CCCCC3)C1)C2)C1=CC(=O)[N-]O1	REAL300030284331	0	56	0.0	-77.69	426.04	4.89	-72.80
COC1C[N@@H+]2CCCC2(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030284353	0	54	0.0	-68.69	404.97	1.98	-66.71
COC1C[N@H+]2CCCC2(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030284353	1	54	0.0	-68.69	404.97	1.98	-66.71
NC1=NC2=CC(C(=O)N3C[C@@H]4CC[C@]4(NC(=O)C4=CC(=O)[N-]O4)C3)=CC=C2N1	REAL300030284430	0	46	0.0	-78.25	374.51	2.44	-75.81
NC1=[NH+]C2=CC(C(=O)N3C[C@@H]4CC[C@]4(NC(=O)C4=CC(=O)[N-]O4)C3)=CC=C2N1	REAL300030284430	1	46	0.0	-78.25	374.51	2.44	-75.81
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030284486	0	49	0.0	-77.61	383.75	3.21	-74.40
C[NH+](C)CCC1(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030284499	0	58	0.0	-76.19	425.52	4.67	-71.52
CC1CCCC(C)[NH+]1CCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030284501	0	58	0.0	-73.65	428.96	4.70	-68.95
C[NH+](C)C1CCC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030284504	0	55	0.0	-62.56	403.51	3.99	-58.57
C[NH+](C)CCC1(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030284505	0	52	0.0	-71.45	406.20	3.92	-67.53
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030284510	0	55	0.0	-71.88	402.63	3.91	-67.97
C[N@@H+]1CC=CCC1CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030284511	0	50	0.0	-67.46	380.36	3.55	-63.91
C[N@H+]1CC=CCC1CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030284511	1	50	0.0	-81.21	385.71	3.62	-77.59
CC1=CC(C=CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)=C[NH+]=C1N	REAL300030284584	1	49	0.0	-80.52	398.35	2.57	-77.95
C[NH+](C)CCOCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030284601	0	49	0.0	-75.91	390.79	2.62	-73.29
CCCCC[N@H+](C)CCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030284608	0	57	0.0	-79.01	438.62	5.15	-73.86
CCCCC[N@@H+](C)CCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030284608	1	57	0.0	-77.63	438.46	5.12	-72.51
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030284623	0	53	0.0	-78.28	409.55	3.62	-74.66
[NH2+]=C1SC=CN1CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030284658	0	42	0.0	-71.38	361.54	1.68	-69.70
C[C@@H](OCC[NH+](C)C)C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030284761	0	52	0.0	-65.60	405.34	3.18	-62.42
O=C(CC[NH+]1CCCCCC1)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030284844	0	55	0.0	-79.11	408.05	4.25	-74.86
O=C(C[NH+]1CCCCC1)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030284849	0	49	0.0	-75.18	376.98	3.53	-71.65
C[N@@H+]1CCCC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030284851	0	49	0.0	-73.65	369.84	3.18	-70.47
C[N@H+]1CCCC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030284851	1	49	0.0	-65.75	367.88	3.15	-62.60
O=C(C[NH+]1CCC(CO)CC1)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030284853	0	53	0.0	-76.82	408.93	0.86	-75.96
O=C(C[NH+]1CCCCCC1)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030284859	0	52	0.0	-74.53	385.47	3.56	-70.97
CN1C=C[N+](CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030284866	0	44	0.0	-73.07	366.50	5.19	-67.88
C[N@@H+]1CCCC(C(C)(C)C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030284887	0	58	0.0	-89.25	417.21	4.02	-85.23
C[N@H+]1CCCC(C(C)(C)C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030284887	1	58	0.0	-78.17	414.21	4.09	-74.08
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030284893	1	49	0.0	-84.44	394.52	3.25	-81.19
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300030284902	0	51	0.0	-85.86	402.16	2.72	-83.14
O=C(C[NH+]1CCC(O)CC1)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030284923	1	50	0.0	-79.41	388.09	0.20	-79.21
C[N@H+](CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030284930	0	46	0.0	-70.70	363.34	3.02	-67.68
C[N@@H+](CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030284930	1	46	0.0	-72.75	364.34	2.91	-69.84
CC(C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300030284932	1	54	0.0	-74.07	402.71	1.15	-72.92
O=C(CC[N@H+]1CCC(F)C1)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030284938	0	49	0.0	-84.27	388.63	3.47	-80.80
O=C(CC[N@@H+]1CCC(F)C1)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030284938	1	49	0.0	-77.26	388.74	3.36	-73.90
COC1C[N@H+](C)C(C)(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030284955	0	53	0.0	-69.52	395.74	1.30	-68.22
COC1C[N@@H+](C)C(C)(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030284955	1	53	0.0	-69.46	395.49	1.23	-68.23
C[NH+](C)CCC1=CC=CC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030284977	0	55	0.0	-86.78	431.04	5.57	-81.21
CC(CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030284983	0	51	0.0	-77.69	391.19	3.61	-74.08
O=C(N[C@]12CC[C@H]1CN(C(=O)C1CC[N@@H+]3CCOCC13)C2)C1=CC(=O)[N-]O1	REAL300030285006	0	51	0.0	-81.63	390.97	1.81	-79.82
O=C(N[C@]12CC[C@H]1CN(C(=O)C1CC[N@H+]3CCOCC13)C2)C1=CC(=O)[N-]O1	REAL300030285006	1	51	0.0	-72.51	386.27	1.70	-70.81
CC1=[NH+]C=C2C=CC(C(=O)N3C[C@@H]4CC[C@]4(NC(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300030285015	0	47	0.0	-75.72	390.21	4.69	-71.03
C[N@@H+]1CCOCC1CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030285039	1	50	0.0	-84.22	385.68	1.40	-82.82
C[N@H+]1CCOCC1CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030285039	1	50	0.0	-70.45	377.61	1.21	-69.24
C[NH+](C)CC(C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300030285049	0	55	0.0	-78.62	431.66	5.46	-73.16
CC[NH+]1CCN(CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030285055	0	54	0.0	-75.01	411.68	1.67	-73.34
CC1=CC(N)=[NH+]C=C1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030285129	1	45	0.0	-74.82	363.85	0.77	-74.05
NC1=CC=C(CCC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300030285132	0	48	0.0	-76.40	393.97	2.19	-74.21
CC1(O)CC[N@H+](CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030285200	0	50	0.0	-73.00	390.94	-0.05	-73.05
CC1(O)CC[N@@H+](CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030285200	1	50	0.0	-73.99	390.37	-0.10	-74.09
C[NH+](C)CCN1N=CC=C1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030285211	0	52	0.0	-64.98	408.02	2.66	-62.32
C[NH+]1CC(CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030285251	0	46	0.0	-77.76	365.31	2.45	-75.31
O=C(N[C@]12CC[C@H]1CN(C(=O)C1CC[N@@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300030285257	0	53	0.0	-71.88	399.23	3.98	-67.90
O=C(N[C@]12CC[C@H]1CN(C(=O)C1CC[N@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300030285257	1	53	0.0	-74.47	405.04	4.30	-70.17
C[NH+](C)CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030285267	0	42	0.0	-76.12	334.48	1.51	-74.61
C[N@H+](CCO)CCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030285314	0	49	0.0	-75.21	384.31	-0.41	-75.62
C[N@@H+](CCO)CCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030285314	1	49	0.0	-76.77	384.47	-0.39	-77.16
C[C@@H](C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030285315	0	45	0.0	-73.54	350.40	1.99	-71.55
C[N@@H+]1CCCCC1CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030285343	0	52	0.0	-77.55	393.27	3.75	-73.80
C[N@H+]1CCCCC1CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030285343	1	52	0.0	-80.43	393.73	3.73	-76.70
CC1=C2C=C(C(=O)N3C[C@@H]4CC[C@]4(NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030285377	1	47	0.0	-79.11	390.34	5.47	-73.64
CC(C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300030285378	0	49	0.0	-57.46	385.01	3.24	-54.22
CC1CC[N@@H+]1CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030285384	1	46	0.0	-73.43	360.27	2.29	-71.14
CC1CC[N@H+]1CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030285384	1	46	0.0	-74.54	366.24	2.58	-71.96
C[NH+](C)CC=CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030285405	0	46	0.0	-80.78	370.23	2.80	-77.98
CC1(C)C[NH+](CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030285421	1	49	0.0	-75.95	385.30	3.07	-72.88
O=C(CCCC[NH+]1CCCCC1)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030285435	0	58	0.0	-78.34	441.93	5.54	-72.80
CC1=C(C)[NH+]=C(CCC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030285450	1	50	0.0	-71.67	405.17	2.81	-68.86
C[NH+]1CCC(C2(C(=O)N3C[C@@H]4CC[C@]4(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030285464	0	56	0.0	-78.57	417.48	4.93	-73.64
CC1=C2C=C(C(=O)N3C[C@@H]4CC[C@]4(NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030285474	1	47	0.0	-79.11	390.34	5.47	-73.64
C[NH+](C)CCSCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030285487	0	49	0.0	-82.93	401.82	3.48	-79.45
CC(C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300030285508	0	55	0.0	-76.89	428.83	5.44	-71.45
CC(C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300030285508	1	55	0.0	-76.35	427.40	5.41	-70.94
NC1=[NH+]C2=C(C=C1C(=O)N1C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C1)CCCC2	REAL300030285512	1	52	0.0	-67.05	405.49	3.00	-64.05
O=C(C[N@H+]1CCCC1CO)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030285520	0	50	0.0	-73.29	388.96	0.18	-73.11
O=C(C[N@@H+]1CCCC1CO)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030285520	1	50	0.0	-71.80	380.33	0.04	-71.76
CC[NH+](CC)CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030285523	0	48	0.0	-73.49	370.65	2.85	-70.64
C[N@H+](CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300030285536	0	50	0.0	-78.38	393.53	3.84	-74.54
C[N@@H+](CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300030285536	1	50	0.0	-78.97	393.01	3.89	-75.08
O=C(C[NH+]1CCC1)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030285538	1	43	0.0	-73.50	344.32	1.99	-71.51
CC[NH+](CC)CCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030285604	0	51	0.0	-75.21	391.97	3.52	-71.69
NC(=O)C1CC[NH+](CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030285630	0	53	0.0	-85.44	412.93	0.23	-85.21
C[NH+](C)CC1=CNC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030285689	0	50	0.0	-82.46	396.13	3.08	-79.38
CC(C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300030285715	0	53	0.0	-73.63	403.05	0.45	-73.18
O=C(N[C@]12CC[C@H]1CN(C(=O)C1CC3COCC[N@@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300030285723	0	51	0.0	-77.31	388.28	1.75	-75.56
O=C(N[C@]12CC[C@H]1CN(C(=O)C1CC3COCC[N@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300030285723	1	51	0.0	-79.44	390.45	1.73	-77.71
CC(C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030285745	1	46	0.0	-56.36	360.60	2.39	-53.97
CCC(CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030285757	0	54	0.0	-84.21	409.90	4.30	-79.91
NC1=CC=C(C=CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300030285766	0	46	0.0	-81.08	380.76	1.73	-79.35
C[NH+](C)CC(C)(C)C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030285767	0	51	0.0	-76.06	373.17	2.71	-73.35
C[NH+](C)C(CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300030285812	0	55	0.0	-70.76	423.27	5.45	-65.31
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030285850	0	49	0.0	-76.29	368.09	2.94	-73.35
C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030285850	1	49	0.0	-68.42	373.72	3.09	-65.33
CC1CN2CC[N@@H+]1CC2C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030285867	0	52	0.0	-83.45	382.80	0.21	-83.24
CC1CN2CC[N@H+]1CC2C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030285867	1	52	0.0	-80.46	383.69	0.14	-80.32
C[NH+](C)CC(O)CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030285900	0	49	0.0	-83.01	387.18	0.54	-82.47
C[NH+]1C2CCC1CC(C(=O)N1C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030285903	0	53	0.0	-76.63	367.40	3.31	-73.32
C=CCC(C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030285957	0	49	0.0	-70.34	374.82	3.01	-67.33
O=C(N[C@]12CC[C@H]1CN(C(=O)C1CC3CCCC[N@@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300030285972	0	53	0.0	-75.50	398.97	4.09	-71.41
O=C(N[C@]12CC[C@H]1CN(C(=O)C1CC3CCCC[N@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300030285972	1	53	0.0	-77.10	397.35	4.03	-73.07
C[NH+]1CCC(C)(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030285989	0	52	0.0	-73.75	381.58	3.16	-70.59
C[NH+]1CCC(O)(CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030285995	0	53	0.0	-78.92	404.68	1.84	-77.08
COCC[N@@H+]1CCCC1CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030286011	0	56	0.0	-61.04	424.92	3.48	-57.56
COCC[N@H+]1CCCC1CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030286011	1	56	0.0	-76.44	425.85	2.58	-73.86
C[NH+]1C2CCC1CC(CC(=O)N1C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030286026	0	56	0.0	-75.01	413.21	4.51	-70.50
C[NH+](C)CCN1N=CC=C1C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030286063	0	52	0.0	-68.77	410.34	2.96	-65.81
C[NH+]1CCC(C2(C(=O)N[C@]34CC[C@H]3CN(C(=O)C3=CC(=O)[N-]O3)C4)CC2)CC1	REAL300030286104	0	56	0.0	-65.56	419.69	5.13	-60.43
CC1=C2C=C(C(=O)N[C@]34CC[C@H]3CN(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300030286115	1	47	0.0	-77.03	384.45	5.49	-71.54
C[NH+](C)CCSCC(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030286125	0	49	0.0	-80.40	399.20	3.46	-76.94
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2COCC[N@@H+]2C1	REAL300030286135	0	51	0.0	-71.81	390.51	1.74	-70.07
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2COCC[N@H+]2C1	REAL300030286135	1	51	0.0	-75.37	390.61	1.75	-73.62
C[NH+](C)CC(=O)NC12CC(C)(C1)OC21CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030286242	0	53	0.0	-68.71	396.92	2.06	-66.65
C[C@@H](C(=O)NC12CC(C)(C1)OC21CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030286248	0	56	0.0	-65.80	415.08	2.46	-63.34
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C[C@H](C(=O)NC12CC(C)(C1)OC21CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030286270	0	56	0.0	-66.86	415.45	2.40	-64.46
CC[N@H+](C)CC(=O)NC12CC(C)(C1)OC21CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030286279	0	56	0.0	-67.80	414.73	2.70	-65.10
CC[N@@H+](C)CC(=O)NC12CC(C)(C1)OC21CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030286279	1	56	0.0	-67.76	414.72	2.70	-65.06
C[C@@H](C(=O)N1CCC2(CC1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030286448	0	56	0.0	-66.15	416.46	2.56	-63.59
CC[N@H+](C)CC(=O)N1CCC2(CC1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030286467	0	56	0.0	-67.44	417.56	2.83	-64.61
CC[N@@H+](C)CC(=O)N1CCC2(CC1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030286467	1	56	0.0	-67.45	417.76	2.84	-64.61
C[C@H](C(=O)N1CCC2(CC1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030286480	0	56	0.0	-66.05	415.96	2.50	-63.55
C[NH+](C)CC(=O)N1CCC2(CC1)OC1(C)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030286540	0	53	0.0	-68.19	399.99	2.17	-66.02
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C=CCC1(NC(=O)C2CC3CCCC[N@H+]3C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030286951	1	56	0.0	-65.06	423.56	5.09	-59.97
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C=CCC1(NC(=O)CC2CC[N@H+](C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030287722	1	52	0.0	-70.19	400.85	4.08	-66.11
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C=CCC1(NC(=O)C23CC[N@H+](C2)CCC3)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030287871	0	53	0.0	-72.32	396.51	3.64	-68.68
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C=CCC1(NC(=O)C[N@H+](C)CCCCCC)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030287956	1	60	0.0	-64.84	459.96	6.21	-58.63
C=CCC1(NC(=O)C[NH+](CC)CC)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030287968	0	51	0.0	-63.47	384.63	3.54	-59.93
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C=CCC1(NC(=O)COC2CC[NH+](C)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288059	0	56	0.0	-72.20	434.50	4.47	-67.73
C=CCC1(NC(=O)C2(C[NH+](C)C)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288072	0	52	0.0	-72.58	399.17	3.90	-68.68
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C=CCC1(NC(=O)C2CC[NH+](C(C)C)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288137	0	58	0.0	-66.69	429.56	5.10	-61.59
C=CCC1(NC(=O)C2CC[NH+](C)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288154	0	52	0.0	-75.88	399.72	4.07	-71.81
C=CCC1(NC(=O)C(CC)[NH+](CC)CC)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288184	0	57	0.0	-61.71	419.61	4.86	-56.85
C=CCC1(NC(=O)CC[N@@H+](C)CC)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288241	0	51	0.0	-68.53	394.63	3.70	-64.83
C=CCC1(NC(=O)CC[N@H+](C)CC)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288241	1	51	0.0	-68.63	394.64	3.70	-64.93
C=CCC1(NC(=O)C[N@H+]2CCCC2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288286	0	52	0.0	-60.50	401.58	4.27	-56.23
C=CCC1(NC(=O)C[N@@H+]2CCCC2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288286	1	52	0.0	-65.52	393.19	3.84	-61.68
C=CCC1(NC(=O)C[N@H+]2CCC(C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288288	0	52	0.0	-66.67	400.65	4.11	-62.56
C=CCC1(NC(=O)C[N@@H+]2CCC(C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288288	1	52	0.0	-67.04	400.39	4.15	-62.89
C=CCC1(NC(=O)C2CCN3C(=C[NH+]=C3C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288289	1	54	0.0	-64.04	425.01	5.17	-58.87
C=CCC1(NC(=O)C[N@H+]2CCC(C)(C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288292	0	55	0.0	-68.16	419.51	4.71	-63.45
C=CCC1(NC(=O)C[N@@H+]2CCC(C)(C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288292	1	55	0.0	-66.93	419.36	4.68	-62.25
C=CCC1(NC(=O)C[N@@H+](C)CC(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288293	0	57	0.0	-63.88	423.70	4.90	-58.98
C=CCC1(NC(=O)C[N@H+](C)CC(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288293	1	57	0.0	-68.75	425.20	4.98	-63.77
C=CCC1(NC(=O)[C@H](CC)[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288300	0	51	0.0	-61.02	386.84	3.42	-57.60
C=CCC1(NC(=O)CC2(O)CC[NH+](C)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288455	0	56	0.0	-71.31	426.57	2.59	-68.72
C=CCC1(NC(=O)C[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288465	0	45	0.0	-63.74	356.36	2.51	-61.23
C=CCC1(NC(=O)C[NH+]2CCC(CO)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288468	1	56	0.0	-70.06	427.81	1.59	-68.47
C=CCC1(NC(=O)C[NH+]2CCCCCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288470	0	55	0.0	-65.90	407.10	4.47	-61.43
C=CCC1(NC(=O)C[N+]2=CN(C)C=C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288474	0	47	0.0	-68.23	386.08	5.94	-62.29
C=CCC1(NC(=O)C2CCC[N@@H+](C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288480	0	52	0.0	-64.43	386.26	3.95	-60.48
C=CCC1(NC(=O)C2CCC[N@H+](C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288480	1	52	0.0	-59.92	394.39	4.27	-55.65
C=CCC1(NC(=O)C2CCC[N@@H+]2C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288484	0	53	0.0	-58.72	389.19	5.51	-53.21
C=CCC1(NC(=O)C2CCC[N@H+]2C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288484	1	53	0.0	-64.94	395.73	4.13	-60.81
C=CCC1(NC(=O)C(C)[NH+]2CCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288508	1	49	0.0	-65.97	384.46	3.44	-62.53
C=CCC1(NC(=O)CC(CC)C[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288514	0	57	0.0	-69.35	429.01	5.00	-64.35
C=CCC1(NC(=O)C[NH+]2CCC(O)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288543	1	53	0.0	-71.69	407.36	1.02	-70.67
C=CCC1(NC(=O)C[N@@H+](C)C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288544	0	49	0.0	-64.71	383.81	3.91	-60.80
C=CCC1(NC(=O)C[N@H+](C)C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288544	1	49	0.0	-63.00	385.42	3.84	-59.16
C=CCC1(NC(=O)C(C)N2CC[NH+](C)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288545	1	57	0.0	-66.16	429.48	2.26	-63.90
C=CCC1(NC(=O)CC2C[NH+](C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288561	0	49	0.0	-67.11	385.90	3.29	-63.82
C=CCC1(NC(=O)C2CC[N@@H+]2C2CCCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288565	0	56	0.0	-66.25	428.56	5.31	-60.94
C=CCC1(NC(=O)C2CC[N@H+]2C2CCCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288565	1	56	0.0	-67.08	425.43	5.32	-61.76
C=CCC1(NC(=O)C2CC[N@H+]2C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288572	0	55	0.0	-60.49	417.90	4.19	-56.30
C=CCC1(NC(=O)C2CC[N@@H+]2C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288572	1	55	0.0	-71.91	392.06	2.98	-68.93
C=CCC1(NC(=O)[C@H](C)[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288583	0	48	0.0	-68.05	372.65	2.87	-65.18
C=CCC1(NC(=O)C[N@H+]2CCCC(CC)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288618	0	58	0.0	-68.78	428.49	5.55	-63.23
C=CCC1(NC(=O)C[N@@H+]2CCCC(CC)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288618	1	58	0.0	-67.26	428.03	5.16	-62.10
C=CCC1(NC(=O)C2=CC=C(C[NH+](C)C)N2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288625	0	53	0.0	-73.35	421.09	3.91	-69.44
C=CCC1(NC(=O)CN2C=CSC2=[NH2+])CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288662	0	45	0.0	-66.71	381.93	2.61	-64.10
C=CCC1(NC(=O)CC[N@H+](C)CCO)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288670	0	52	0.0	-68.62	406.47	0.43	-68.19
C=CCC1(NC(=O)CC[N@@H+](C)CCO)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288670	1	52	0.0	-67.35	404.73	0.42	-66.93
C=CCC1(NC(=O)[C@H](C)[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288671	0	48	0.0	-68.05	372.65	2.87	-65.18
C=CCC1(NC(=O)[C@H]2CCCC[N@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288675	0	52	0.0	-66.49	388.25	3.81	-62.68
C=CCC1(NC(=O)[C@H]2CCCC[N@@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288675	1	52	0.0	-60.12	398.34	4.02	-56.10
C=CCC1(NC(=O)C2C[N@H+]3CCN2CC3C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288682	0	55	0.0	-68.16	407.38	1.40	-66.76
C=CCC1(NC(=O)C2C[N@@H+]3CCN2CC3C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288682	1	55	0.0	-71.78	405.98	1.30	-70.48
C=CCC1(NC(=O)CC2=CC3=C[NH+]=CN3C=C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288725	0	50	0.0	-67.34	408.94	6.67	-60.67
C=CCC1(NC(=O)C[N@@H+](C)C2CCSC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288747	0	53	0.0	-72.64	415.50	4.66	-67.98
C=CCC1(NC(=O)C[N@H+](C)C2CCSC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288747	1	53	0.0	-72.34	413.81	4.75	-67.59
C=CCC1(NC(=O)C[NH+]2CCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288748	1	46	0.0	-68.98	364.70	2.88	-66.10
C=CCC1(NC(=O)C2=CC=NC(C[NH+](C)C)=C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288773	1	54	0.0	-66.76	430.51	4.53	-62.23
C=CCC1(NC(=O)C=C2CC[N@@H+](C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288774	0	50	0.0	-70.64	392.40	4.04	-66.60
C=CCC1(NC(=O)C=C2CC[N@H+](C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288774	1	50	0.0	-73.57	392.90	4.05	-69.52
C=CCC1(NC(=O)COCC[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288802	0	52	0.0	-68.04	410.41	3.43	-64.61
C=CCC1(NC(=O)CC[N@@H+](C)CCCCC)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288808	0	60	0.0	-69.48	459.14	6.02	-63.46
C=CCC1(NC(=O)CC[N@H+](C)CCCCC)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288808	1	60	0.0	-69.24	460.61	5.95	-63.29
C=CCC1(NC(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288816	0	56	0.0	-66.50	433.35	4.53	-61.97
C=CCC(C)(C(=O)NC1(CC=C)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030288823	0	55	0.0	-67.18	398.30	4.74	-62.44
C=CCC1(NC(=O)C(O)CC[S+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288828	0	51	0.0	-65.63	419.61	2.01	-63.62
C=CCC1(NC(=O)C2CN(C)CC[N@H+](C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288861	0	57	0.0	-66.91	424.55	2.57	-64.34
C=CCC1(NC(=O)C2CN(C)CC[N@@H+](C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288861	1	57	0.0	-66.79	424.75	2.65	-64.14
C=CCC1(NC(=O)C(C)[N@@H+]2CCCC(O)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288862	0	56	0.0	-61.51	421.57	1.27	-60.24
C=CCC1(NC(=O)C(C)[N@H+]2CCCC(O)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288862	1	56	0.0	-65.06	425.22	1.30	-63.76
C=CCC1(NC(=O)C2C[NH+](C3CCOC3)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288865	0	54	0.0	-72.96	419.09	2.71	-70.25
C=CCC1(NC(=O)C[NH+]2CCC(CO)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288872	1	56	0.0	-70.06	427.81	1.59	-68.47
C=CCC1(NC(=O)CC2(O)CCC[N@@H+](C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288881	0	56	0.0	-66.80	421.97	2.83	-63.97
C=CCC1(NC(=O)CC2(O)CCC[N@H+](C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288881	1	56	0.0	-65.28	424.39	2.63	-62.65
C=CCC1(NC(=O)C[NH+]2CC(C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288884	1	49	0.0	-63.50	386.22	3.59	-59.91
C=CCC1(NC(=O)C[N@H+](C)CCO)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288909	1	49	0.0	-63.60	384.31	-0.12	-63.72
C=CCC1(NC(=O)C[N@@H+](C)CCO)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288909	1	49	0.0	-67.96	382.43	-0.14	-68.10
C=CCC1(NC(=O)C2C[N@@H+]3CCN2CCC3)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288929	0	55	0.0	-79.28	402.11	1.70	-77.58
C=CCC1(NC(=O)C2C[N@H+]3CCN2CCC3)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288929	1	55	0.0	-64.76	402.87	2.21	-62.55
C=CCC1(NC(=O)C2CCC[N@@H+](CC)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288933	0	55	0.0	-63.00	410.40	4.93	-58.07
C=CCC1(NC(=O)C2CCC[N@H+](CC)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288933	1	55	0.0	-65.42	418.66	4.76	-60.66
C=CCC1(NC(=O)CC(C)C[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288935	0	54	0.0	-68.58	411.72	4.49	-64.09
C=CCC1(NC(=O)C[N@@H+](C)CC)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288947	0	48	0.0	-69.50	372.59	3.10	-66.40
C=CCC1(NC(=O)C[N@H+](C)CC)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288947	1	48	0.0	-67.29	372.27	3.15	-64.14
C=CCC1(NC(=O)C[N@@H+](CC)C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288994	0	52	0.0	-64.36	403.12	4.52	-59.84
C=CCC1(NC(=O)C[N@H+](CC)C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288994	1	52	0.0	-67.09	393.81	4.16	-62.93
C=CCC1(NC(=O)CC[NH+](CC)CC)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289009	0	54	0.0	-67.04	412.34	4.34	-62.70
C=CCC1(NC(=O)C=C2CC[NH+](C)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289021	0	53	0.0	-68.56	408.31	4.78	-63.78
C=CCC1(NC(=O)C[N@H+]2CCC(C)(O)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289055	0	53	0.0	-68.30	410.76	0.84	-67.46
C=CCC1(NC(=O)C[N@@H+]2CCC(C)(O)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289055	1	53	0.0	-67.43	410.36	0.89	-66.54
C=CCC1(NC(=O)C=CC[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289061	0	49	0.0	-69.53	390.40	3.68	-65.85
C=CCC1(NC(=O)C(C)OCC[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289078	0	55	0.0	-66.82	430.48	4.09	-62.73
C=CCC1(NC(=O)CCOCC[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289087	0	55	0.0	-66.72	431.12	3.22	-63.50
C=CCC1(NC(=O)C[N@@H+](C)CCOC)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289088	1	52	0.0	-68.00	404.69	2.27	-65.73
C=CCC1(NC(=O)C[N@H+](C)CCOC)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289088	1	52	0.0	-67.77	404.87	2.33	-65.44
C=CCC1(NC(=O)CCC(C)[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289121	0	54	0.0	-67.18	411.72	4.18	-63.00
C=CCC1(NC(=O)C2CC[N@H+]2CC)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289130	1	49	0.0	-64.58	380.63	3.14	-61.44
C=CCC1(NC(=O)C2CC[N@@H+]2CC)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289130	1	49	0.0	-66.94	386.21	3.49	-63.45
C=CCC1(NC(=O)C2CCC[N@@H+](C(C)C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289139	0	58	0.0	-62.28	422.59	5.29	-56.99
C=CCC1(NC(=O)C2CCC[N@H+](C(C)C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289139	1	58	0.0	-65.16	433.61	5.27	-59.89
C=CCC1(NC(=O)C[N@H+]2CCCC2CO)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289151	0	53	0.0	-66.00	409.33	1.02	-64.98
C=CCC1(NC(=O)C[N@@H+]2CCCC2CO)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289151	1	53	0.0	-65.11	400.44	1.01	-64.10
C=CCC1(NC(=O)C2CC3CCCC[N@@H+]3C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289170	0	56	0.0	-73.24	422.33	5.19	-68.05
C=CCC1(NC(=O)C2CC3CCCC[N@H+]3C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289170	1	56	0.0	-65.06	423.56	5.09	-59.97
C=CCC1(NC(=O)C2=CC(C[NH+](C)C)=CN2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289177	0	53	0.0	-70.77	420.86	3.80	-66.97
C=CCC1(NC(=O)C(C)[NH+]2CCC(O)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289189	1	56	0.0	-67.90	418.65	1.19	-66.71
C=CCC(C(=O)NC1(CC=C)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030289197	0	52	0.0	-63.20	397.43	3.93	-59.27
C=CCC1(NC(=O)C2CC(C)(C)C[N@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289204	0	55	0.0	-66.25	414.32	4.25	-62.00
C=CCC1(NC(=O)C2CC(C)(C)C[N@@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289204	1	55	0.0	-68.51	405.84	4.51	-64.00
C=CCC1(NC(=O)CCCCC[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289208	0	57	0.0	-68.89	441.40	5.41	-63.48
C=CCC1(NC(=O)C[NH+]2CC3CC3C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289216	0	50	0.0	-67.53	389.08	4.32	-63.21
C=CCC1(NC(=O)C2C[N@H+]3CCN2C(C)C3)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289242	0	55	0.0	-75.41	405.73	1.53	-73.88
C=CCC1(NC(=O)C2C[N@@H+]3CCN2C(C)C3)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289242	1	55	0.0	-63.18	409.25	1.44	-61.74
C=CCC1(NC(=O)C(CCC)[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289243	0	54	0.0	-67.91	408.13	4.68	-63.23
C=CCC1(NC(=O)C2CCCC[N@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289281	0	52	0.0	-67.37	390.89	4.51	-62.86
C=CCC1(NC(=O)C2CCCC[N@@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289281	1	52	0.0	-61.39	382.43	3.56	-57.83
C=CCC1(NC(=O)CC2=CC[N@H+](C)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289317	0	53	0.0	-67.31	413.69	4.81	-62.50
C=CCC1(NC(=O)CC2=CC[N@@H+](C)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289317	1	53	0.0	-66.23	413.69	4.81	-61.42
C=CCC1(NC(=O)CC2([NH+]3CCCC3)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289324	0	56	0.0	-63.67	421.24	5.18	-58.49
C=CCC1(NC(=O)C2=CC=C(C[NH+](C)C)O2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289367	1	52	0.0	-69.95	419.63	4.13	-65.82
C=CCC1(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289371	0	54	0.0	-72.21	428.47	4.13	-68.08
C=CCC1(NC(=O)C=CC[NH+]2CCCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289382	0	53	0.0	-68.97	415.08	4.78	-64.19
C=CCC1(NC(=O)C2CC[NH+](C3CC3)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289403	0	56	0.0	-73.16	424.57	5.27	-67.89
C=CCC1(NC(=O)CC[NH+]2CCCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289419	0	52	0.0	-63.58	404.63	4.23	-59.35
C=CCC1(NC(=O)C2C[NH+]3CCN2CC3)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289451	0	52	0.0	-63.02	392.27	0.89	-62.13
C=CCC1(NC(=O)C[N@@H+]2CC3CCC2C3)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289471	0	53	0.0	-63.99	402.52	4.53	-59.46
C=CCC1(NC(=O)C[N@H+]2CC3CCC2C3)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289471	1	53	0.0	-66.90	400.94	4.55	-62.35
C=CCC1(NC(=O)C=C2C[NH+]3CCC2CC3)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289508	0	54	0.0	-64.43	412.43	4.89	-59.54
C=CCC1(NC(=O)C[N@@H+]2CC3C=CC2C3)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289516	1	51	0.0	-64.81	393.53	4.36	-60.45
C=CCC1(NC(=O)C[N@H+]2CC3C=CC2C3)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289516	1	51	0.0	-62.56	395.65	4.40	-58.16
C=CCC1(NC(=O)CN2CC[NH+](CC)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289540	0	57	0.0	-65.55	432.80	2.62	-62.93
C=CCC1(NC(=O)C(C)C[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289555	0	51	0.0	-68.13	392.68	3.68	-64.45
C=CCC1(NC(=O)CC2CCCC[N@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289623	0	55	0.0	-74.96	407.51	4.34	-70.62
C=CCC1(NC(=O)CC2CCCC[N@@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289623	1	55	0.0	-64.06	406.22	4.53	-59.53
C=CCC1(NC(=O)C2=CC3=C(C)[NH+]=CN3C=C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289636	1	50	0.0	-69.02	406.90	6.59	-62.43
C=CCC1(NC(=O)C(C)[NH+]2CC(C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289637	1	52	0.0	-64.71	403.92	4.17	-60.54
C=CCC1(NC(=O)C[N@H+]2CCC2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289640	1	49	0.0	-66.67	380.22	3.37	-63.30
C=CCC1(NC(=O)C[N@@H+]2CCC2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289640	1	49	0.0	-68.04	385.87	3.56	-64.48
C=CCC1(NC(=O)CC(O)C[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289644	0	52	0.0	-71.37	406.68	1.31	-70.06
C=CCC1(NC(=O)C2C[N@@H+](C)CC(C)O2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289667	1	53	0.0	-68.46	407.36	3.07	-65.39
C=CCC1(NC(=O)C2C[N@H+](C)CC(C)O2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289667	1	53	0.0	-73.76	407.90	3.06	-70.70
C=CCC1(NC(=O)CC[NH+]2CCC(O)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289676	0	56	0.0	-70.98	429.18	1.56	-69.42
C=CCC1(NC(=O)C2CCCC[N@H+]2CCC)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289678	0	58	0.0	-57.97	437.40	5.40	-52.57
C=CCC1(NC(=O)C2CCCC[N@@H+]2CCC)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289678	1	58	0.0	-63.92	435.70	5.50	-58.42
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C=CCC1(NC(=O)C(C)CC[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289757	0	54	0.0	-68.91	414.36	4.37	-64.54
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C=CCC1(NC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289774	1	56	0.0	-61.64	427.14	1.89	-59.75
C#CC[N@H+]1CCCCC1C(=O)NC1(CC=C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289781	1	54	0.0	-59.79	409.53	4.91	-54.88
C#CC[N@@H+]1CCCCC1C(=O)NC1(CC=C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289781	1	54	0.0	-62.46	421.52	5.21	-57.25
C=CCC1(NC(=O)CN2CC[NH+](C)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289784	1	54	0.0	-66.46	415.06	1.94	-64.52
C=CCC1(NC(=O)CN2CC[NH+](CC)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289793	0	57	0.0	-65.55	432.80	2.62	-62.93
C=CCC1(NC(=O)CSC(N)=[NH2+])CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289815	0	43	0.0	-63.48	364.28	-0.55	-64.03
C=CCC1(NC(=O)CC2COCC[N@H+]2CC)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289848	1	56	0.0	-74.07	412.15	2.48	-71.59
C=CCC1(NC(=O)CC2COCC[N@@H+]2CC)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289848	1	56	0.0	-69.31	417.64	2.79	-66.52
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C=CCC1(NC(=O)CC2CC=CC[N@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289865	0	53	0.0	-69.71	405.07	4.47	-65.24
C=CCC1(NC(=O)CC2CC=CC[N@@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289865	1	53	0.0	-62.73	400.71	4.46	-58.27
C=CCC1(NC(=O)[C@@H](C)OCC[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289886	0	55	0.0	-67.28	429.66	4.08	-63.20
C=CCC1(NC(=O)C2CC3CCC(C2)[NH+]3C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289908	0	56	0.0	-65.78	414.32	4.72	-61.06
C=CCC1(NC(=O)C(C)N2CCSCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289997	0	53	0.0	-68.85	413.53	4.55	-64.30
C=CCC1(NC(=O)C(C)[NH+]2CCSCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289997	1	53	0.0	-68.85	413.53	4.55	-64.30
C=CCC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030290006	0	49	0.0	-65.02	372.32	2.85	-62.17
C=CCC1(NC(=O)CC[N@H+]2CCC(F)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030290013	0	52	0.0	-72.87	408.46	4.17	-68.70
C=CCC1(NC(=O)CC[NH+]2CCCCCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030290029	0	58	0.0	-72.10	428.88	5.04	-67.06
C=CCC1(NC(=O)C2CC[N@H+](C)C2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030290039	0	52	0.0	-65.61	385.82	4.25	-61.36
C=CCC1(NC(=O)C2CC[N@@H+](C)C2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030290039	1	52	0.0	-65.61	385.82	4.25	-61.36
C=CCC1(NC(=O)CCC2CCCC[N@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030290041	0	58	0.0	-66.54	435.28	5.31	-61.23
C=CCC1(NC(=O)CCC2CCCC[N@@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030290041	1	58	0.0	-66.54	435.28	5.31	-61.23
C=CCC1(NC(=O)C2CC[N@@H+]3CCOCC23)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030290065	0	54	0.0	-67.32	404.85	2.51	-64.81
C=CCC1(NC(=O)C2CC[N@H+]3CCOCC23)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030290065	1	54	0.0	-67.32	404.85	2.51	-64.81
C=CCC1(NC(=O)CC2COCCN2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030290087	0	53	0.0	-74.22	400.08	2.01	-72.21
C=CCC1(NC(=O)CC2COCC[N@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030290087	1	53	0.0	-75.94	398.42	2.01	-73.93
C=CCC1(NC(=O)CC2COCC[N@@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030290087	1	53	0.0	-75.94	398.42	2.01	-73.93
C=CCC1(NC(=O)CCC2=NC(C)=C(C)N2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030290095	0	53	0.0	-62.88	424.77	3.78	-59.10
C=CCC1(NC(=O)CCC2=[NH+]C(C)=C(C)N2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030290095	1	53	0.0	-62.88	424.77	3.78	-59.10
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC[N@H+]2C)C1	REAL300030290263	0	49	0.0	-68.14	376.73	3.04	-65.10
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CN(C)CCO2)C1	REAL300030290289	0	50	0.0	-79.00	391.76	2.77	-76.23
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2C[N@H+](C)CCO2)C1	REAL300030290289	1	50	0.0	-91.22	391.57	2.85	-88.37
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2C[N@@H+](C)CCO2)C1	REAL300030290289	1	50	0.0	-91.22	391.57	2.85	-88.37
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCCN2C=CN=C2C)C1	REAL300030290451	0	53	0.0	-72.14	428.94	5.48	-66.66
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCCN2C=C[NH+]=C2C)C1	REAL300030290451	1	53	0.0	-72.14	428.94	5.48	-66.66
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C(C[NH+](C)C)C=C2)C1	REAL300030290456	0	55	0.0	-81.22	430.25	5.55	-75.67
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCN2CCOCC2)C1	REAL300030290457	0	53	0.0	-76.87	413.24	2.58	-74.29
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC[NH+]2CCOCC2)C1	REAL300030290457	1	53	0.0	-76.87	413.24	2.58	-74.29
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300030290482	0	53	0.0	-67.72	395.00	3.92	-63.80
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC3=CN=CN3C=C2)C1	REAL300030290492	0	47	0.0	-80.08	381.84	5.53	-74.55
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300030290492	1	47	0.0	-80.08	381.84	5.53	-74.55
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCCC([NH+](C)C)C2)C1	REAL300030290552	0	58	0.0	-73.29	435.90	5.31	-67.98
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2CC[N@@H+](C)C2)C1	REAL300030290555	0	52	0.0	-75.51	404.65	4.17	-71.34
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2CC[N@H+](C)C2)C1	REAL300030290555	1	52	0.0	-75.51	404.65	4.17	-71.34
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(CC)[NH+](C)C)C1	REAL300030290572	0	51	0.0	-65.86	383.14	3.35	-62.51
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCCC[NH+](C)C)C1	REAL300030290639	0	54	0.0	-76.87	423.33	4.71	-72.16
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(C(C)C)[NH+](C)C)C1	REAL300030290661	0	54	0.0	-68.68	401.86	4.40	-64.28
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC[N@@H+](C)CCC)C1	REAL300030290663	0	54	0.0	-75.38	419.56	4.53	-70.85
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC[N@H+](C)CCC)C1	REAL300030290663	1	54	0.0	-75.38	419.56	4.53	-70.85
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+](C)CCC)C1	REAL300030290669	0	51	0.0	-74.48	397.22	3.99	-70.49
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+](C)CCC)C1	REAL300030290669	1	51	0.0	-74.48	397.22	3.99	-70.49
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300030290693	0	53	0.0	-83.33	389.80	3.40	-79.93
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300030290693	1	53	0.0	-83.33	389.80	3.40	-79.93
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+](C)CCCCCC)C1	REAL300030290729	0	60	0.0	-75.68	461.72	6.32	-69.36
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+](C)CCCCCC)C1	REAL300030290729	1	60	0.0	-75.68	461.72	6.32	-69.36
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(C(C)C)[NH+](CC)CC)C1	REAL300030290734	0	60	0.0	-64.85	424.50	4.53	-60.32
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)COC2CC[NH+](C)CC2)C1	REAL300030290795	0	56	0.0	-82.60	438.98	4.74	-77.86
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300030290840	0	56	0.0	-78.16	422.77	5.09	-73.07
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300030290840	1	56	0.0	-78.16	422.77	5.09	-73.07
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2(C[NH+](C)C)CC2)C1	REAL300030290851	0	52	0.0	-77.65	404.97	4.07	-73.58
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC3=C[NH+]=C(C)N3C2)C1	REAL300030290852	1	54	0.0	-72.44	428.19	5.18	-67.26
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1	REAL300030290863	0	58	0.0	-77.08	435.75	5.21	-71.87
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC[N@@H+](C)CC)C1	REAL300030290888	0	51	0.0	-74.50	398.06	3.78	-70.72
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC[N@H+](C)CC)C1	REAL300030290888	1	51	0.0	-74.63	398.06	3.79	-70.84
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1	REAL300030290914	0	58	0.0	-71.99	417.76	5.38	-66.61
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300030290924	0	53	0.0	-79.14	396.25	4.14	-75.00
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC[NH+](C)CC2)C1	REAL300030291004	0	52	0.0	-80.71	398.14	3.97	-76.74
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1	REAL300030291022	0	54	0.0	-70.91	400.36	4.33	-66.58
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(F)C[NH+](CC)CC)C1	REAL300030291117	0	54	0.0	-70.33	419.78	4.52	-65.81
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC[N@@H+](CC(C)C)C2)C1	REAL300030291152	0	58	0.0	-72.40	441.59	5.44	-66.96
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC[N@H+](CC(C)C)C2)C1	REAL300030291152	1	58	0.0	-76.10	442.25	5.43	-70.67
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2([NH+](C)C)CCC2)C1	REAL300030291156	0	52	0.0	-72.10	386.94	3.85	-68.25
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(CC)[NH+](CC)CC)C1	REAL300030291187	0	57	0.0	-65.15	419.44	4.66	-60.49
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+]2CCCC2C)C1	REAL300030291207	0	52	0.0	-70.88	396.70	3.95	-66.93
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+]2CCCC2C)C1	REAL300030291207	1	52	0.0	-69.07	403.26	4.40	-64.67
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(C)[NH+]2CCCCCC2)C1	REAL300030291277	0	58	0.0	-64.12	424.90	4.85	-59.27
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCCC[N@H+]2C(C)C)C1	REAL300030291279	0	58	0.0	-65.20	421.77	4.74	-60.46
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCCC[N@@H+]2C(C)C)C1	REAL300030291279	1	58	0.0	-69.36	421.68	4.79	-64.57
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC[N@H+]2C(C)C)C1	REAL300030291300	0	55	0.0	-67.30	415.33	4.58	-62.72
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC[N@@H+]2C(C)C)C1	REAL300030291300	1	55	0.0	-72.82	409.55	5.00	-67.82
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2CCC[N@H+]2C(C)C)C1	REAL300030291306	0	58	0.0	-66.21	426.74	5.08	-61.13
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2CCC[N@@H+]2C(C)C)C1	REAL300030291306	1	58	0.0	-62.88	428.18	4.69	-58.19
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1	REAL300030291321	0	54	0.0	-65.79	401.52	4.15	-61.64
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+]2CCC(C)C2)C1	REAL300030291342	0	52	0.0	-73.56	403.32	4.26	-69.30
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+]2CCC(C)C2)C1	REAL300030291342	1	52	0.0	-73.53	404.02	4.29	-69.24
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCN3C(=C[NH+]=C3C)C2)C1	REAL300030291344	1	54	0.0	-73.36	426.23	5.12	-68.24
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1	REAL300030291347	0	55	0.0	-69.60	424.72	4.84	-64.76
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1	REAL300030291347	1	55	0.0	-70.24	424.16	4.90	-65.34
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1	REAL300030291348	0	57	0.0	-74.08	424.95	4.90	-69.18
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1	REAL300030291348	1	57	0.0	-74.38	427.94	5.11	-69.27
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@H](CC)[NH+](C)C)C1	REAL300030291357	0	51	0.0	-66.55	389.15	3.67	-62.88
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCN(C)C2=CC=[NH+]C=C2)C1	REAL300030291484	0	54	0.0	-68.81	432.45	4.22	-64.59
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CN2C=C[NH+]=C2C)C1	REAL300030291568	1	47	0.0	-70.51	387.39	4.16	-66.35
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(C)C[NH+]2CCOCC2)C1	REAL300030291570	0	56	0.0	-74.25	428.34	3.17	-71.08
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCC[NH+]2CCCCC2)C1	REAL300030291587	0	58	0.0	-74.53	443.47	5.81	-68.72
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NOC(C[NH+](C)C)=C2)C1	REAL300030291605	1	51	0.0	-77.31	412.58	3.79	-73.52
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=C(C)N3C=[NH+]C=C3C=C2)C1	REAL300030291606	0	50	0.0	-67.55	410.49	6.28	-61.27
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CN2C=C[NH+]=C2C(C)C)C1	REAL300030291641	1	53	0.0	-69.71	423.66	5.30	-64.41
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300030291677	0	56	0.0	-72.15	410.26	4.66	-67.49
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300030291677	1	56	0.0	-68.71	410.23	4.62	-64.09
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2C[N@H+](CC)CCO2)C1	REAL300030291699	1	53	0.0	-61.93	409.06	3.50	-58.43
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2C[N@@H+](CC)CCO2)C1	REAL300030291699	1	53	0.0	-89.08	409.46	3.54	-85.54
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300030291752	0	47	0.0	-75.13	381.47	5.51	-69.62
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CN2C=[NH+]C=C2C)C1	REAL300030291757	1	47	0.0	-75.34	387.75	4.90	-70.44
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	REAL300030291773	0	52	0.0	-82.36	393.93	3.46	-78.90
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	REAL300030291773	1	52	0.0	-70.75	399.81	4.15	-66.60
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	REAL300030291778	0	55	0.0	-73.63	411.27	4.03	-69.60
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1	REAL300030291778	1	55	0.0	-66.59	414.21	4.57	-62.02
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+]2C(C)CCC2C)C1	REAL300030291791	0	55	0.0	-67.85	414.68	4.42	-63.43
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCC[NH+]2CCCC2)C1	REAL300030291797	0	55	0.0	-69.44	425.55	5.00	-64.44
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=CC(C[NH+](C)C)=C2)C1	REAL300030291798	0	55	0.0	-76.94	429.72	5.47	-71.47
C#CC[NH+]1CCC(C(=O)N2CCC(CC=C)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030291804	0	54	0.0	-78.53	425.53	5.24	-73.29
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC[NH+]2CCCCC2)C1	REAL300030291805	0	55	0.0	-73.66	421.97	5.00	-68.66
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=CC=C2C[NH+](C)C)C1	REAL300030291809	0	55	0.0	-62.34	422.19	5.72	-56.62
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCCC[N@H+]2CC)C1	REAL300030291813	0	55	0.0	-64.61	417.51	4.75	-59.86
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCCC[N@@H+]2CC)C1	REAL300030291813	1	55	0.0	-68.58	416.23	4.72	-63.86
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(C2=CC=CC=C2)[NH+](C)C)C1	REAL300030291816	1	55	0.0	-66.77	429.82	5.81	-60.96
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CN2C=[NH+]C3=C2CCCC3)C1	REAL300030291821	1	54	0.0	-74.86	429.61	6.63	-68.23
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2([NH+](C)C)CCCC2)C1	REAL300030291857	0	58	0.0	-76.86	421.68	5.05	-71.81
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+](C)C2CCC2)C1	REAL300030292022	0	52	0.0	-71.66	404.10	4.55	-67.11
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+](C)C2CCC2)C1	REAL300030292022	1	52	0.0	-72.56	404.23	4.57	-67.99
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(C)[NH+]2C(C)CCC2C)C1	REAL300030292047	0	58	0.0	-62.24	424.50	4.74	-57.50
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300030292060	0	58	0.0	-69.80	448.64	5.89	-63.91
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)C1	REAL300030292062	1	55	0.0	-78.74	434.66	6.16	-72.58
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+](C)CC2=CC=CC=C2)C1	REAL300030292062	1	55	0.0	-78.97	434.70	6.16	-72.81
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC[NH+](C)CC2)C1	REAL300030292073	0	52	0.0	-80.71	398.14	3.97	-76.74
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@H]2CCC[N@H+]2C)C1	REAL300030292118	0	49	0.0	-72.41	377.74	3.00	-69.41
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1	REAL300030292118	1	49	0.0	-69.68	381.37	3.47	-66.21
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC=C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030292142	1	51	0.0	-71.65	404.29	4.29	-67.36
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC=C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030292142	1	51	0.0	-63.81	407.11	4.66	-59.15
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCC2CCC[N@H+]2C)C1	REAL300030292148	0	55	0.0	-80.50	426.35	5.09	-75.41
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCC2CCC[N@@H+]2C)C1	REAL300030292148	1	55	0.0	-71.53	420.78	4.64	-66.89
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300030292159	0	56	0.0	-75.43	405.46	4.25	-71.18
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300030292166	0	56	0.0	-70.93	418.50	4.99	-65.94
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300030292166	1	56	0.0	-65.17	422.55	5.31	-59.86
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC[N@@H+](CCC)C2)C1	REAL300030292239	0	58	0.0	-66.93	430.99	5.44	-61.49
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC[N@H+](CCC)C2)C1	REAL300030292239	1	58	0.0	-75.51	437.40	5.32	-70.19
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2C[N@H+](C(C)C)CCO2)C1	REAL300030292256	1	56	0.0	-81.96	426.00	4.03	-77.93
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2C[N@@H+](C(C)C)CCO2)C1	REAL300030292256	1	56	0.0	-67.95	418.41	3.82	-64.13
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCCC[N@H+]2C)C1	REAL300030292287	0	52	0.0	-70.63	399.33	4.11	-66.52
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300030292287	1	52	0.0	-69.90	398.41	4.14	-65.76
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC[N@H+]2CC(C)C)C1	REAL300030292311	0	58	0.0	-69.59	436.74	5.20	-64.39
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC[N@@H+]2CC(C)C)C1	REAL300030292311	1	58	0.0	-73.82	435.35	5.13	-68.69
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300030292326	0	56	0.0	-72.75	431.38	1.70	-71.05
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC[N@H+](C)C2C)C1	REAL300030292372	0	52	0.0	-73.31	400.44	3.90	-69.41
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC[N@@H+](C)C2C)C1	REAL300030292372	1	52	0.0	-76.58	394.79	3.57	-73.01
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCC2CCCC[N@H+]2C)C1	REAL300030292374	0	58	0.0	-75.94	433.09	5.40	-70.54
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCC2CCCC[N@@H+]2C)C1	REAL300030292374	1	58	0.0	-80.81	432.94	5.33	-75.48
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C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)C1	REAL300030293942	0	56	0.0	-64.58	429.15	1.89	-62.69
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)C1	REAL300030293942	1	56	0.0	-69.65	429.60	1.95	-67.70
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+]2CC(CC)C2)C1	REAL300030293948	0	52	0.0	-70.69	411.76	4.44	-66.25
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300030293952	0	56	0.0	-74.69	411.85	4.90	-69.79
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1	REAL300030293966	0	49	0.0	-71.10	380.17	3.36	-67.74
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1	REAL300030293966	1	49	0.0	-64.98	375.55	2.95	-62.03
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2COCC[N@H+]2CC)C1	REAL300030293997	0	56	0.0	-79.78	426.26	3.03	-76.75
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C3NC(N)=NC3=C2)C1	REAL300030294087	0	49	0.0	-74.36	395.66	3.20	-71.16
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C3NC(N)=[NH+]C3=C2)C1	REAL300030294087	1	49	0.0	-74.36	395.66	3.20	-71.16
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C1	REAL300030294125	0	52	0.0	-72.37	408.58	4.37	-68.00
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC([NH+](C)C)CC2)C1	REAL300030294140	0	58	0.0	-65.74	425.92	4.99	-60.75
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2(CC[NH+](C)C)CC2)C1	REAL300030294141	0	55	0.0	-82.16	429.30	4.93	-77.23
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C1	REAL300030294143	0	58	0.0	-65.66	425.75	4.91	-60.75
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2CC=CC[N@H+]2C)C1	REAL300030294144	0	53	0.0	-67.54	404.20	4.64	-62.90
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2CC=CC[N@@H+]2C)C1	REAL300030294144	1	53	0.0	-67.54	404.20	4.64	-62.90
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C=CC2=CN=C(N)C(C)=C2)C1	REAL300030294194	0	52	0.0	-70.08	421.71	3.56	-66.52
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C=CC2=C[NH+]=C(N)C(C)=C2)C1	REAL300030294194	1	52	0.0	-70.08	421.71	3.56	-66.52
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)COCC[NH+](C)C)C1	REAL300030294207	0	52	0.0	-69.96	413.34	3.73	-66.23
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC[N@@H+](C)CCCCC)C1	REAL300030294213	0	60	0.0	-76.25	462.56	6.10	-70.15
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC[N@H+](C)CCCCC)C1	REAL300030294213	1	60	0.0	-76.25	462.56	6.10	-70.15
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)C1	REAL300030294225	0	56	0.0	-76.19	434.04	4.38	-71.81
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CN2C=CSC2=[NH2+])C1	REAL300030294250	0	45	0.0	-71.50	385.05	2.76	-68.74
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@@H](C)OCC[NH+](C)C)C1	REAL300030294324	0	55	0.0	-73.42	428.96	4.14	-69.28
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC[NH+]2CCCCCC2)C1	REAL300030294368	0	58	0.0	-71.15	431.32	5.20	-65.95
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+]2CCCCC2)C1	REAL300030294372	0	52	0.0	-68.09	399.04	4.40	-63.69
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC[N@@H+](C)C2)C1	REAL300030294374	0	52	0.0	-72.72	402.52	4.10	-68.62
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC[N@H+](C)C2)C1	REAL300030294374	1	52	0.0	-66.68	393.26	4.10	-62.58
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300030294375	0	56	0.0	-72.75	431.38	1.70	-71.05
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+]2CCCCCC2)C1	REAL300030294378	0	55	0.0	-68.49	408.27	4.60	-63.89
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N+]2=CN(C)C=C2)C1	REAL300030294383	0	47	0.0	-68.43	389.05	6.10	-62.33
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C(C[NH+](C)C)O2)C1	REAL300030294401	1	52	0.0	-74.57	417.96	4.36	-70.21
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C(C[NH+](C)C)N=C2)C1	REAL300030294407	0	54	0.0	-77.39	425.63	3.59	-73.80
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300030294421	1	53	0.0	-76.18	410.79	1.05	-75.13
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+](C)C2CC2)C1	REAL300030294426	1	49	0.0	-68.73	387.37	3.96	-64.77
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(C)N2CC[NH+](C)CC2)C1	REAL300030294428	1	57	0.0	-71.59	424.43	2.10	-69.49
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC[N@@H+]2CCC(F)C2)C1	REAL300030294431	1	52	0.0	-80.47	411.91	4.35	-76.12
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2(C)CC(OC)C[N@H+]2C)C1	REAL300030294442	1	56	0.0	-53.23	417.73	2.50	-50.73
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC(C)C[NH+](C)C)C1	REAL300030294462	0	54	0.0	-70.65	414.13	4.49	-66.16
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300030294478	0	54	0.0	-69.33	408.46	2.70	-66.63
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC[N@H+]3CCOCC23)C1	REAL300030294478	1	54	0.0	-68.87	413.71	2.67	-66.20
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CN3C(=C[NH+]=C3C)C=C2)C1	REAL300030294483	0	50	0.0	-71.42	402.92	5.29	-66.13
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2COCCN2C)C1	REAL300030294500	0	53	0.0	-79.95	408.09	2.46	-77.49
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2COCC[N@H+]2C)C1	REAL300030294500	1	53	0.0	-72.35	409.61	2.39	-69.96
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2COCC[N@@H+]2C)C1	REAL300030294500	1	53	0.0	-79.95	408.09	2.46	-77.49
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CN2CC[NH+](CC)CC2)C1	REAL300030294508	0	57	0.0	-66.08	435.81	2.74	-63.34
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=C[NH+]=C(N)C=C2C)C1	REAL300030294563	1	48	0.0	-62.21	388.32	1.87	-60.34
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCC2=CC=C(N)[NH+]=C2)C1	REAL300030294566	0	51	0.0	-68.18	416.33	3.07	-65.11
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+]2CCC(C)(O)C2)C1	REAL300030294607	1	53	0.0	-74.90	414.28	0.94	-73.96
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2C[NH+](C)C2)C1	REAL300030294642	0	49	0.0	-70.82	390.37	3.41	-67.41
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300030294647	0	56	0.0	-72.66	422.02	4.90	-67.76
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300030294647	1	56	0.0	-69.07	422.65	4.78	-64.29
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+](C)C)C1	REAL300030294655	0	45	0.0	-72.15	357.97	2.54	-69.61
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC[N@H+](C)CCO)C1	REAL300030294684	0	52	0.0	-74.91	408.42	0.57	-74.34
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC[N@@H+](C)CCO)C1	REAL300030294684	1	52	0.0	-73.13	408.27	0.53	-72.60
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300030294685	0	48	0.0	-67.72	373.85	2.85	-64.87
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2CCCC[N@H+]2C)C1	REAL300030294707	0	55	0.0	-77.07	417.40	4.79	-72.28
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2CCCC[N@@H+]2C)C1	REAL300030294707	1	55	0.0	-79.32	417.32	4.75	-74.57
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC3=C(C)[NH+]=CN3C=C2)C1	REAL300030294729	1	50	0.0	-78.06	403.80	6.11	-71.95
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(C)[NH+]2CC(C)C2)C1	REAL300030294730	0	52	0.0	-56.02	405.36	4.08	-51.94
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CN2CCC2C)C1	REAL300030294734	0	49	0.0	-66.38	383.04	3.35	-63.03
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+]2CCC2C)C1	REAL300030294734	1	49	0.0	-72.15	389.19	3.65	-68.50
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+]2CCC2C)C1	REAL300030294734	1	49	0.0	-66.38	383.04	3.35	-63.03
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C=CC[NH+](C)C)C1	REAL300030294748	0	49	0.0	-72.41	392.51	3.79	-68.62
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+]2CC(C)(C)C2)C1	REAL300030294761	1	52	0.0	-71.71	408.40	4.21	-67.50
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCC2=[NH+]C(C)=C(C)N2)C1	REAL300030294780	1	53	0.0	-68.30	428.20	3.86	-64.44
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC3=C(C)[NH+]=CN3C=C2)C1	REAL300030294791	1	50	0.0	-78.06	403.80	6.11	-71.95
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CSCC[NH+](C)C)C1	REAL300030294801	0	52	0.0	-73.97	424.37	4.58	-69.39
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+]2CCCC2CO)C1	REAL300030294827	1	53	0.0	-70.03	407.55	0.59	-69.44
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+](CC)CC)C1	REAL300030294831	0	51	0.0	-69.28	389.04	3.58	-65.70
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+](C)C2CCSC2)C1	REAL300030294842	1	53	0.0	-76.32	417.15	4.82	-71.50
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+]2CCC2)C1	REAL300030294844	1	46	0.0	-75.06	368.08	3.02	-72.04
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC[NH+](CC)CC)C1	REAL300030294895	0	54	0.0	-74.11	411.49	4.17	-69.94
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(C[NH+](C)C)=CN2)C1	REAL300030294962	0	53	0.0	-80.62	419.88	3.94	-76.68
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(C)[NH+]2CCC(O)CC2)C1	REAL300030294981	0	56	0.0	-70.72	417.00	1.04	-69.68
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300030294987	0	54	0.0	-74.33	413.77	2.74	-71.59
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC3COCC[N@H+]3C2)C1	REAL300030294987	1	54	0.0	-71.85	413.59	2.81	-69.04
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(C)[NH+]2CCC2)C1	REAL300030295002	1	49	0.0	-68.47	379.07	3.08	-65.39
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC(CC)C[NH+](C)C)C1	REAL300030295009	0	57	0.0	-77.12	429.44	5.05	-72.07
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C=CC2=CC=C(N)[NH+]=C2)C1	REAL300030295016	0	49	0.0	-80.79	405.65	2.77	-78.02
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(C)(C)C[NH+](C)C)C1	REAL300030295017	0	54	0.0	-62.98	395.70	3.70	-59.28
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1	REAL300030295081	0	52	0.0	-68.12	391.54	3.79	-64.33
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1	REAL300030295081	1	52	0.0	-68.75	397.99	3.99	-64.76
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2C[N@H+]3CCN2CC3C)C1	REAL300030295096	0	55	0.0	-70.43	407.33	1.15	-69.28
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2C[N@@H+]3CCN2CC3C)C1	REAL300030295096	1	55	0.0	-64.01	407.88	1.16	-62.85
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC(O)C[NH+](C)C)C1	REAL300030295117	0	52	0.0	-78.91	410.58	1.63	-77.28
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC3CCC(C2)[NH+]3C)C1	REAL300030295120	0	56	0.0	-68.55	393.41	4.47	-64.08
C=CCC(C(=O)N1CCC(CC=C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030295153	0	52	0.0	-65.42	399.30	3.91	-61.51
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300030295163	0	56	0.0	-81.11	421.07	5.03	-76.08
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300030295163	1	56	0.0	-78.16	422.77	5.09	-73.07
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2(C)CC[NH+](C)CC2)C1	REAL300030295174	0	55	0.0	-63.43	405.95	4.12	-59.31
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2(O)CC[NH+](C)CC2)C1	REAL300030295176	0	56	0.0	-71.05	429.53	2.92	-68.13
C=CCC1(NC(=O)C2=CC3=C(C)[NH+]=CN3C=C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030295252	1	50	0.0	-69.02	406.90	6.59	-62.43
C=CCC1(NC(=O)CSCC[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030295260	0	52	0.0	-71.85	421.43	4.43	-67.42
C=CCC1(NC(=O)C2CC3COCC[N@@H+]3C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030295267	0	54	0.0	-62.54	414.57	2.83	-59.71
C=CCC1(NC(=O)C2CC3COCC[N@H+]3C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030295267	1	54	0.0	-70.31	413.26	2.77	-67.54
C[N@@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030295427	0	49	0.0	-75.99	373.74	3.10	-72.89
C[N@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030295427	1	49	0.0	-73.90	373.85	3.22	-70.68
C[N@@H+]1CCOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030295451	1	50	0.0	-89.89	391.05	2.99	-86.90
C[N@H+]1CCOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030295451	1	50	0.0	-82.33	383.94	2.79	-79.54
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[NH+]1CCCCCC1	REAL300030295622	0	58	0.0	-72.80	424.48	5.34	-67.46
CC(C)[N@@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030295624	0	58	0.0	-69.70	420.80	5.23	-64.47
CC(C)[N@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030295624	1	58	0.0	-69.32	426.73	5.03	-64.29
CC(C)[N@@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030295645	0	55	0.0	-74.87	406.62	4.90	-69.97
CC(C)[N@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030295645	1	55	0.0	-73.54	401.68	4.45	-69.09
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1CC2CCCC[N@@H+]2C1	REAL300030295662	0	56	0.0	-74.84	421.33	5.23	-69.61
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1CC2CCCC[N@H+]2C1	REAL300030295662	1	56	0.0	-72.59	420.91	5.26	-67.33
CC(C)C1=[NH+]C=CN1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030295684	1	53	0.0	-70.73	419.44	5.27	-65.46
CC1=[NH+]C=CN1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030295718	1	47	0.0	-71.88	383.51	4.28	-67.60
CC(C[NH+]1CCOCC1)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030295720	0	56	0.0	-77.79	425.39	3.39	-74.40
O=C(CCC[NH+]1CCCCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030295737	0	58	0.0	-76.87	439.19	5.77	-71.10
CC(C)(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[NH+]1CCCCC1	REAL300030295756	0	58	0.0	-77.58	423.42	5.63	-71.95
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1C[NH+]2CCC1CC2	REAL300030295766	0	53	0.0	-85.10	394.94	4.31	-80.79
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1CCCC2CCC[N@@H+]21	REAL300030295812	0	56	0.0	-68.68	418.47	5.50	-63.18
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1CCCC2CCC[N@H+]21	REAL300030295812	1	56	0.0	-72.56	410.61	5.12	-67.44
C[C@@H]1[C@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC[N@@H+]1C	REAL300030295828	0	52	0.0	-81.43	390.62	3.65	-77.78
C[C@@H]1[C@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC[N@H+]1C	REAL300030295828	1	52	0.0	-78.04	395.97	3.96	-74.08
CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC[N@@H+]1C	REAL300030295833	0	55	0.0	-77.21	410.73	4.36	-72.85
CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC[N@H+]1C	REAL300030295833	1	55	0.0	-76.93	416.19	4.56	-72.37
CC[N@@H+]1CCOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030295848	1	53	0.0	-87.97	408.85	3.64	-84.33
CC[N@H+]1CCOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030295848	1	53	0.0	-81.55	402.15	3.60	-77.95
CC[NH+](CC)CC(F)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030295894	0	54	0.0	-76.78	417.55	4.68	-72.10
CC1CCC(C)[NH+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030295967	0	55	0.0	-72.24	411.23	4.67	-67.57
O=C(CCC[NH+]1CCCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030295973	0	55	0.0	-76.56	423.51	5.07	-71.49
C[NH+](C)CC1=CC=CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)=C1	REAL300030295974	0	55	0.0	-78.19	431.87	6.02	-72.17
C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC1	REAL300030295979	0	54	0.0	-82.45	423.83	5.53	-76.92
O=C(CC[NH+]1CCCCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030295980	0	55	0.0	-76.78	417.23	4.94	-71.84
C[NH+](C)CC1=CC=CC=C1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030295983	0	55	0.0	-59.96	424.96	6.47	-53.49
CC[N@@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030295987	0	55	0.0	-72.18	403.97	4.61	-67.57
CC[N@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030295987	1	55	0.0	-71.45	404.86	4.72	-66.73
C[NH+](C)C(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1=CC=CC=C1	REAL300030295990	1	55	0.0	-73.67	428.82	6.14	-67.53
CC(C)C[N@@H+]1CCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030296007	0	58	0.0	-76.39	438.53	5.54	-70.85
CC(C)C[N@H+]1CCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030296007	1	58	0.0	-75.08	438.03	5.54	-69.54
C[NH+](C)C1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CCC1	REAL300030296011	0	52	0.0	-82.67	386.97	3.82	-78.85
CC(C)[N@@H+]1CCCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030296013	0	58	0.0	-68.87	425.63	4.77	-64.10
CC(C)[N@H+]1CCCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030296013	1	58	0.0	-68.18	423.95	4.69	-63.49
CC(C)[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[NH+](C)C	REAL300030296028	0	54	0.0	-73.02	405.20	4.54	-68.48
C[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1CCC1	REAL300030296077	0	52	0.0	-73.09	400.17	4.65	-68.44
C[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1CCC1	REAL300030296077	1	52	0.0	-73.18	400.31	4.66	-68.52
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[NH+]1C(C)CCC1C	REAL300030296141	0	58	0.0	-69.67	423.94	4.91	-64.76
CN(CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1=CC=[NH+]C=C1	REAL300030296197	0	54	0.0	-75.08	428.17	4.18	-70.90
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030296205	1	51	0.0	-74.42	400.36	4.32	-70.10
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030296205	1	51	0.0	-74.27	406.53	4.87	-69.40
C[N@@H+]1CCCC1CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030296211	0	55	0.0	-80.13	421.19	5.02	-75.11
C[N@H+]1CCCC1CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030296211	1	55	0.0	-75.15	415.64	4.57	-70.58
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C12CCC[NH+](CCC1)C2	REAL300030296222	0	56	0.0	-75.93	411.08	4.72	-71.21
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1CCC2CCCC[N@@H+]21	REAL300030296229	0	56	0.0	-70.39	421.52	5.51	-64.88
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1CCC2CCCC[N@H+]21	REAL300030296229	1	56	0.0	-70.31	421.86	5.58	-64.73
O=C(CCCC[NH+]1CCCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030296249	0	58	0.0	-77.61	445.02	5.85	-71.76
C[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)CC1=CC=CC=C1	REAL300030296251	1	55	0.0	-80.39	430.75	6.25	-74.14
C[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)CC1=CC=CC=C1	REAL300030296251	1	55	0.0	-80.62	430.34	6.14	-74.48
C[NH+]1CCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC1	REAL300030296262	0	52	0.0	-82.31	398.27	4.21	-78.10
C[NH+](C)CC1=CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)=NO1	REAL300030296303	1	51	0.0	-81.86	411.81	3.49	-78.37
CC1=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C=CC2=C[NH+]=CN21	REAL300030296304	0	50	0.0	-76.06	397.81	6.42	-69.64
C[N@@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030296336	0	52	0.0	-72.52	395.94	4.26	-68.26
C[N@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030296336	1	52	0.0	-72.52	395.55	4.14	-68.38
CC(C)C[N@@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030296359	0	58	0.0	-72.40	438.87	5.85	-66.55
CC(C)C[N@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030296359	1	58	0.0	-72.35	438.85	5.81	-66.54
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1=CN2C=[NH+]C=C2C=C1	REAL300030296464	0	47	0.0	-77.06	384.25	6.19	-70.87
CC1=[NH+]C=CN1CCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030296473	1	53	0.0	-73.97	425.05	5.56	-68.41
C[NH+](C)CC1=CC=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C=C1	REAL300030296478	0	55	0.0	-87.43	431.88	6.03	-81.40
O=C(CC[NH+]1CCOCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030296479	1	53	0.0	-80.35	408.96	2.53	-77.82
CC1=C[NH+]=CN1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030296510	1	47	0.0	-75.31	382.40	4.83	-70.48
O=C(CN1C=[NH+]C2=C1CCCC2)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030296516	1	54	0.0	-73.35	425.66	6.74	-66.61
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C12CCC[NH+]1CCC2	REAL300030296552	0	53	0.0	-80.82	398.76	4.65	-76.17
C[NH+](C)C1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030296581	0	58	0.0	-68.32	426.39	5.33	-62.99
C[N@@H+]1CCC(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030296584	0	52	0.0	-79.80	400.23	4.14	-75.66
C[N@H+]1CCC(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030296584	1	52	0.0	-77.91	399.87	4.16	-73.75
CN(C)C1=CC=[NH+]C=C1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030296596	0	51	0.0	-86.86	404.80	3.46	-83.40
CCC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[NH+](C)C	REAL300030296601	0	51	0.0	-70.92	381.95	3.69	-67.23
C[NH+](C)C1(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CCCC1	REAL300030296615	0	58	0.0	-80.75	417.53	4.94	-75.81
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1=CC2=C[NH+]=CN2C=C1	REAL300030296659	1	47	0.0	-83.51	384.14	6.04	-77.47
C[NH+](C)CCCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030296717	0	54	0.0	-79.11	419.05	4.66	-74.45
CC(C)C(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[NH+](C)C	REAL300030296737	0	54	0.0	-74.01	401.52	4.83	-69.18
CCC[N@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030296739	0	54	0.0	-78.37	415.28	4.47	-73.90
CCC[N@@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030296739	1	54	0.0	-78.35	415.28	4.49	-73.86
CCC[N@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030296745	0	51	0.0	-75.54	392.91	3.95	-71.59
CCC[N@@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030296745	1	51	0.0	-75.53	392.92	3.95	-71.58
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C12CC[N@H+](C1)CCC2	REAL300030296769	0	53	0.0	-77.84	395.70	3.74	-74.10
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C12CC[N@@H+](C1)CCC2	REAL300030296769	1	53	0.0	-77.03	395.63	3.87	-73.16
C[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030296809	0	49	0.0	-74.01	374.00	3.22	-70.79
C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030296809	1	49	0.0	-72.18	379.17	3.73	-68.45
CCCCCC[N@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030296869	0	60	0.0	-76.67	457.82	6.40	-70.27
CCCCCC[N@@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030296869	1	60	0.0	-76.79	457.41	6.28	-70.51
CC[NH+](CC)C(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C(C)C	REAL300030296874	0	60	0.0	-72.00	429.65	5.70	-66.30
CC[NH+](CC)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030296883	0	51	0.0	-73.42	389.70	3.99	-69.43
CCC[N@@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030296915	0	58	0.0	-68.29	431.57	5.90	-62.39
CCC[N@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030296915	1	58	0.0	-68.39	431.16	5.77	-62.62
CC(C)[N@@H+]1CCOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030296932	1	56	0.0	-85.59	425.69	4.16	-81.43
CC(C)[N@H+]1CCOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030296932	1	56	0.0	-79.34	418.92	4.10	-75.24
CC1CC[NH+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC1	REAL300030296964	0	55	0.0	-76.45	416.25	5.01	-71.44
C[NH+]1CCC(OCC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC1	REAL300030296992	0	56	0.0	-84.04	434.03	4.75	-79.29
C[NH+](C)CC1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC1	REAL300030297006	0	52	0.0	-76.98	405.90	4.28	-72.70
CC1=[NH+]C=C2CCC(C(=O)NC3CN(C(=O)C4=CC(=O)[N-]O4)CC4(CC4)C3)CN21	REAL300030297007	1	54	0.0	-70.97	421.72	5.38	-65.59
CC(C)[NH+]1CCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC1	REAL300030297082	0	58	0.0	-79.14	429.32	5.29	-73.85
C[NH+]1CCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC1	REAL300030297103	0	52	0.0	-82.31	398.27	4.21	-78.10
CC(C)[C@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[NH+](C)C	REAL300030297121	0	54	0.0	-72.56	399.69	4.53	-68.03
CCC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[NH+](CC)CC	REAL300030297152	0	57	0.0	-68.33	418.13	4.94	-63.39
CC[N@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030297214	0	51	0.0	-77.43	394.19	3.86	-73.57
CC[N@@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030297214	1	51	0.0	-77.41	394.18	3.86	-73.55
CC1CCC[N@@H+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030297270	0	52	0.0	-71.75	392.71	4.04	-67.71
CC1CCC[N@H+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030297270	1	52	0.0	-71.68	392.70	4.03	-67.65
CC1CC[N@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030297272	0	52	0.0	-74.93	399.50	4.41	-70.52
CC1CC[N@@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030297272	1	52	0.0	-74.57	399.02	4.21	-70.36
CC1=[NH+]C=C2CC(C(=O)NC3CN(C(=O)C4=CC(=O)[N-]O4)CC4(CC4)C3)CCN21	REAL300030297274	1	54	0.0	-76.00	422.90	5.28	-70.72
CC1(C)CC[N@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030297277	0	55	0.0	-75.26	418.96	4.78	-70.48
CC1(C)CC[N@@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030297277	1	55	0.0	-75.27	419.14	4.77	-70.50
C[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)CC(C)(C)C	REAL300030297278	0	57	0.0	-75.49	421.31	5.05	-70.44
C[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)CC(C)(C)C	REAL300030297278	1	57	0.0	-75.56	423.75	5.10	-70.46
CC[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[NH+](C)C	REAL300030297287	0	51	0.0	-70.72	382.46	3.68	-67.04
C[NH+]1CCC(O)(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC1	REAL300030297466	0	56	0.0	-77.06	424.31	2.85	-74.21
C[NH+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030297478	0	45	0.0	-75.79	353.69	2.54	-73.25
O=C(C[NH+]1CCC(CO)CC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030297482	1	56	0.0	-79.41	427.77	1.83	-77.58
O=C(C[NH+]1CCCCCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030297484	0	55	0.0	-74.81	405.04	4.71	-70.10
CN1C=C[N+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)=C1	REAL300030297488	0	47	0.0	-73.29	385.33	6.16	-67.13
C[N@@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030297495	0	52	0.0	-67.97	392.38	4.50	-63.47
C[N@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030297495	1	52	0.0	-76.40	398.33	4.15	-72.25
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1CCC[N@@H+]1C1CC1	REAL300030297500	0	53	0.0	-70.66	411.58	5.17	-65.49
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1CCC[N@H+]1C1CC1	REAL300030297500	1	53	0.0	-79.20	401.73	5.24	-73.96
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[NH+]1CCC1	REAL300030297529	1	49	0.0	-73.23	381.90	3.61	-69.62
CCC(CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C[NH+](C)C	REAL300030297535	0	57	0.0	-81.83	429.65	5.23	-76.60
C[NH+](C)CC(C)(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030297542	0	54	0.0	-76.09	401.19	4.34	-71.75
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C12CC(C1)C[N@@H+]2C1CC1	REAL300030297560	0	54	0.0	-77.62	418.54	4.94	-72.68
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C12CC(C1)C[N@H+]2C1CC1	REAL300030297560	1	54	0.0	-79.31	412.18	5.75	-73.56
O=C(C[NH+]1CCC(O)CC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030297571	1	53	0.0	-79.97	406.51	1.06	-78.91
C[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1CC1	REAL300030297572	0	49	0.0	-72.28	383.36	4.06	-68.22
C[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1CC1	REAL300030297572	1	49	0.0	-73.12	383.09	3.95	-69.17
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)N1CC[NH+](C)CC1	REAL300030297573	1	57	0.0	-74.77	427.01	2.38	-72.39
C[NH+]1CC(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030297592	0	49	0.0	-76.98	385.13	3.35	-73.63
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1CC[N@@H+]1C1CCCC1	REAL300030297596	0	56	0.0	-74.52	420.31	5.17	-69.35
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1CC[N@H+]1C1CCCC1	REAL300030297596	1	56	0.0	-75.42	418.69	4.96	-70.46
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030297604	0	55	0.0	-73.70	398.78	3.69	-70.01
CC(C)(C)[N@H+]1CCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030297604	1	55	0.0	-72.67	415.64	4.38	-68.29
C[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[NH+](C)C	REAL300030297615	0	48	0.0	-72.96	371.46	3.08	-69.88
CCC1CCC[N@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030297657	0	58	0.0	-72.96	427.56	5.32	-67.64
CCC1CCC[N@@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030297657	1	58	0.0	-76.03	434.70	5.66	-70.37
C[NH+](C)CC1=CC=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)N1	REAL300030297665	0	53	0.0	-90.19	420.92	3.84	-86.35
[NH2+]=C1SC=CN1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030297710	0	45	0.0	-71.10	380.76	2.71	-68.39
C[N@H+](CCO)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030297720	0	52	0.0	-77.09	404.13	0.50	-76.59
C[N@@H+](CCO)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030297720	1	52	0.0	-76.78	404.00	0.52	-76.26
C[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[NH+](C)C	REAL300030297721	0	48	0.0	-72.96	371.46	3.08	-69.88
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030297725	0	52	0.0	-72.35	386.55	4.09	-68.26
C[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030297725	1	52	0.0	-71.42	395.66	4.14	-67.28
CC1CN2CC[N@@H+]1CC2C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030297734	0	55	0.0	-83.77	406.85	1.42	-82.35
CC1CN2CC[N@H+]1CC2C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030297734	1	55	0.0	-84.89	406.75	1.63	-83.26
O=C(CC1=CC2=C[NH+]=CN2C=C1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030297780	0	50	0.0	-73.54	408.50	6.83	-66.71
C[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1CCSC1	REAL300030297805	0	53	0.0	-79.39	412.91	4.79	-74.60
C[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1CCSC1	REAL300030297805	1	53	0.0	-82.19	413.03	4.75	-77.44
O=C(C[NH+]1CCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030297806	1	46	0.0	-75.93	363.98	3.01	-72.92
C[NH+](C)CC1=CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)=CC=N1	REAL300030297836	1	54	0.0	-75.60	428.27	4.30	-71.30
C[N@@H+]1CCC(=CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030297838	0	50	0.0	-79.43	392.57	4.07	-75.36
C[N@H+]1CCC(=CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030297838	1	50	0.0	-79.33	392.91	4.21	-75.12
C[NH+](C)CCOCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030297872	0	52	0.0	-75.01	409.56	3.59	-71.42
CCCCC[N@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030297878	0	60	0.0	-79.26	458.27	6.03	-73.23
CCCCC[N@@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030297878	1	60	0.0	-79.13	458.69	6.15	-72.98
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)O1	REAL300030297887	0	56	0.0	-77.00	432.52	4.48	-72.52
C=CCC(C)(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[NH+](C)C	REAL300030297894	0	55	0.0	-79.59	405.91	4.46	-75.13
C[S+](C)CCC(O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030297899	0	51	0.0	-83.17	418.93	2.32	-80.85
C[N@@H+]1CC(O)CC1(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030297926	0	53	0.0	-85.19	400.48	0.81	-84.38
CN1CC[N@H+](C)CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030297938	0	57	0.0	-72.95	423.98	2.83	-70.12
CN1CC[N@@H+](C)CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030297938	1	57	0.0	-72.95	423.98	2.83	-70.12
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[N@@H+]1CCCC(O)C1	REAL300030297939	0	56	0.0	-74.75	422.84	1.68	-73.07
O=C(CN1CCC(CO)CC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030297949	0	56	0.0	-79.41	427.77	1.83	-77.58
O=C(C[NH+]1CCC(CO)CC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030297949	1	56	0.0	-79.41	427.77	1.83	-77.58
C[N@@H+]1CCCC(O)(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030297958	0	56	0.0	-70.67	424.00	2.89	-67.78
C[N@H+]1CCCC(O)(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030297958	1	56	0.0	-70.67	424.00	2.89	-67.78
CC1CN(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030297961	0	49	0.0	-76.56	383.55	3.63	-72.93
CC1C[NH+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030297961	1	49	0.0	-76.56	383.55	3.63	-72.93
CN(CCO)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030297988	0	49	0.0	-76.65	381.77	-0.03	-76.68
C[N@H+](CCO)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030297988	1	49	0.0	-76.21	381.87	0.12	-76.09
C[N@@H+](CCO)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030297988	1	49	0.0	-76.21	381.87	0.12	-76.09
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1C[N@@H+]2CCN1CCC2	REAL300030298011	0	55	0.0	-81.86	402.19	1.97	-79.89
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1C[N@H+]2CCN1CCC2	REAL300030298011	1	55	0.0	-81.86	402.19	1.97	-79.89
CC[N@@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030298017	0	55	0.0	-67.94	409.68	5.03	-62.91
CC[N@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030298017	1	55	0.0	-67.94	409.68	5.03	-62.91
CC(CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C[NH+](C)C	REAL300030298019	0	54	0.0	-77.76	410.88	4.54	-73.22
CC[N@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298032	0	48	0.0	-75.32	371.42	3.19	-72.13
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C12CCC[N@@H+]1CCCC2	REAL300030298060	0	56	0.0	-70.72	409.03	5.07	-65.65
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C12CCC[N@H+]1CCCC2	REAL300030298060	1	56	0.0	-70.72	409.03	5.07	-65.65
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C12CCC[N@@H+]1CC=CC2	REAL300030298067	0	54	0.0	-70.14	402.70	4.98	-65.16
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C12CCC[N@H+]1CC=CC2	REAL300030298067	1	54	0.0	-70.14	402.70	4.98	-65.16
CC[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1CC1	REAL300030298088	0	52	0.0	-72.83	399.98	4.65	-68.18
CC[NH+](CC)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298106	0	54	0.0	-76.61	411.95	4.58	-72.03
CC1(C)CN(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030298131	0	52	0.0	-75.93	404.25	4.14	-71.79
CC1(C)C[NH+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030298131	1	52	0.0	-75.93	404.25	4.14	-71.79
CC1(O)CC[N@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030298159	0	53	0.0	-73.88	410.07	1.08	-72.80
C[NH+](C)CC=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298166	0	49	0.0	-80.33	391.30	3.93	-76.40
CC(OCC[NH+](C)C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298188	0	55	0.0	-71.78	429.26	4.31	-67.47
C[NH+](C)CCOCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298197	0	55	0.0	-77.36	430.43	3.35	-74.01
COCCN(C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298198	0	52	0.0	-76.02	404.12	2.52	-73.50
COCC[N@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298198	1	52	0.0	-77.09	404.02	2.37	-74.72
COCC[N@@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298198	1	52	0.0	-77.09	404.02	2.37	-74.72
C[NH+](C)C1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CCCC1	REAL300030298234	0	55	0.0	-79.86	405.78	5.30	-74.56
CC(CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[NH+](C)C	REAL300030298237	0	54	0.0	-80.46	407.32	4.38	-76.08
CCN1CCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298246	0	49	0.0	-73.03	378.89	3.39	-69.64
CC[N@@H+]1CCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298246	1	49	0.0	-75.42	385.35	3.50	-71.92
CC[N@H+]1CCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298246	1	49	0.0	-75.42	385.35	3.50	-71.92
CC(C)[N@@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030298256	0	58	0.0	-73.70	432.96	5.46	-68.24
CC(C)[N@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030298256	1	58	0.0	-73.70	432.96	5.46	-68.24
O=C(C[N@H+]1CCCC1CO)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298269	0	53	0.0	-75.29	407.17	1.22	-74.07
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1CC2CCCC[N@@H+]2C1	REAL300030298291	0	56	0.0	-72.59	420.91	5.26	-67.33
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1CC2CCCC[N@H+]2C1	REAL300030298291	1	56	0.0	-72.59	420.91	5.26	-67.33
C[NH+]1CCC(C)(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC1	REAL300030298297	0	55	0.0	-75.80	411.35	4.73	-71.07
C=CCC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[NH+](C)C	REAL300030298327	0	52	0.0	-70.83	396.01	4.01	-66.82
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298340	0	55	0.0	-73.29	414.46	4.27	-69.02
C[NH+](C)CCCCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298344	0	57	0.0	-78.26	440.55	5.45	-72.81
CC1C[N@@H+]2CCN1C(C(=O)NC1CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C1)C2	REAL300030298379	0	55	0.0	-85.70	406.86	1.49	-84.21
CCCC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[NH+](C)C	REAL300030298380	0	54	0.0	-75.49	408.57	4.45	-71.04
C[NH+](C)C(C)(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298384	0	51	0.0	-81.91	381.35	3.82	-78.09
C[N@@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298426	0	52	0.0	-72.52	395.55	4.14	-68.38
C[N@H+]1CC=C(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC1	REAL300030298466	0	53	0.0	-70.65	412.84	4.85	-65.80
C[N@@H+]1CC=C(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC1	REAL300030298466	1	53	0.0	-70.65	412.84	4.85	-65.80
O=C(CC1([NH+]2CCCC2)CC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298475	0	56	0.0	-72.95	419.16	5.39	-67.56
CN(C)CC1=CC=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)O1	REAL300030298524	0	52	0.0	-85.67	417.57	4.38	-81.29
C[NH+](C)CC1=CC=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)O1	REAL300030298524	1	52	0.0	-85.67	417.57	4.38	-81.29
O=C(C=CC[NH+]1CCCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298541	0	53	0.0	-79.89	415.99	4.96	-74.93
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1CC[NH+](C2CC2)CC1	REAL300030298565	0	56	0.0	-78.87	423.08	5.39	-73.48
O=C(CC[NH+]1CCCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298588	0	52	0.0	-76.76	402.43	4.38	-72.38
C[N@@H+]1CC2CC1(C(=O)NC1CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C1)C2	REAL300030298636	0	50	0.0	-82.02	384.53	3.67	-78.35
O=C(C[N@@H+]1CC2CCC1C2)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298650	0	53	0.0	-73.81	400.55	4.66	-69.15
O=C(C[N@H+]1CC2CCC1C2)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298650	1	53	0.0	-73.81	400.55	4.66	-69.15
O=C(C=C1C[NH+]2CCC1CC2)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298691	0	54	0.0	-68.74	410.46	5.09	-63.65
O=C(CN1CC2C=CC1C2)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298701	0	51	0.0	-70.96	393.30	4.43	-66.53
O=C(C[N@@H+]1CC2C=CC1C2)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298701	1	51	0.0	-73.80	393.15	4.63	-69.17
O=C(C[N@H+]1CC2C=CC1C2)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298701	1	51	0.0	-73.80	393.15	4.63	-69.17
CC(C[NH+](C)C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298753	0	51	0.0	-77.35	392.10	3.81	-73.54
C[N@@H+]1CCCCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298831	0	55	0.0	-79.14	413.38	4.85	-74.29
C[N@H+]1CCCCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298831	1	55	0.0	-79.14	413.38	4.85	-74.29
CC1=C2C=C(C(=O)NC3CN(C(=O)C4=CC(=O)[N-]O4)CC4(CC4)C3)C=CN2C=[NH+]1	REAL300030298847	1	50	0.0	-81.61	406.43	6.75	-74.86
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[NH+]1CC(C)C1	REAL300030298848	1	52	0.0	-72.73	401.23	4.25	-68.48
CC1CC[N@@H+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298851	1	49	0.0	-73.27	379.53	3.36	-69.91
CC1CC[N@H+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298851	1	49	0.0	-72.85	380.45	3.54	-69.31
C[NH+](C)CC(O)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298856	0	52	0.0	-81.55	406.26	1.54	-80.01
CC1C[N@H+](C)CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)O1	REAL300030298884	1	53	0.0	-90.74	412.21	3.71	-87.03
CC1C[N@@H+](C)CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)O1	REAL300030298884	1	53	0.0	-78.99	405.53	3.69	-75.30
O=C(CC[NH+]1CCC(O)CC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298893	0	56	0.0	-79.94	428.32	1.57	-78.37
CCC[N@@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298895	0	58	0.0	-72.39	425.53	5.35	-67.04
CCC[N@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298895	1	58	0.0	-72.77	435.39	5.49	-67.28
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030298974	0	52	0.0	-76.06	403.23	4.26	-71.80
CC(CC[NH+](C)C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298982	0	54	0.0	-77.04	413.73	4.43	-72.61
C[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[C@@H]1CCC[C@H]1O	REAL300030299003	0	56	0.0	-72.12	424.74	1.75	-70.37
C[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[C@@H]1CCC[C@H]1O	REAL300030299003	1	56	0.0	-73.11	423.96	1.79	-71.32
C#CC[N@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030299012	1	54	0.0	-73.40	411.89	5.26	-68.14
C#CC[N@@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030299012	1	54	0.0	-73.42	411.87	5.27	-68.15
C[NH+]1CCN(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC1	REAL300030299015	1	54	0.0	-75.81	412.72	2.03	-73.78
CC[NH+]1CCN(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC1	REAL300030299024	0	57	0.0	-74.63	430.46	2.71	-71.92
NC(=[NH2+])SCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030299050	0	43	0.0	-79.09	361.61	-0.52	-79.61
CC[N@@H+]1CCOCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030299087	0	56	0.0	-81.22	422.12	3.11	-78.11
C[NH+](C)C1CCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC1	REAL300030299103	0	58	0.0	-73.12	426.37	5.36	-67.76
C[NH+](C)CCC1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC1	REAL300030299104	0	55	0.0	-82.40	428.52	5.03	-77.37
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC1	REAL300030299106	0	58	0.0	-73.12	426.40	5.36	-67.76
C[N@@H+]1CC=CCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030299107	0	53	0.0	-66.85	399.86	4.51	-62.34
C[N@H+]1CC=CCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030299107	1	53	0.0	-66.85	399.86	4.51	-62.34
C[C@@H](OCC[NH+](C)C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030299130	0	55	0.0	-72.09	429.36	4.26	-67.83
C[NH+]1C2CCC1CC(C(=O)NC1CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C1)C2	REAL300030299158	0	56	0.0	-77.51	413.70	4.76	-72.75
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[NH+]1CCSCC1	REAL300030299268	1	53	0.0	-75.81	412.46	4.54	-71.27
CCC1C[NH+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030299270	1	52	0.0	-76.34	406.75	4.51	-71.83
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1([NH+]2CCCC2)CCC1	REAL300030299272	0	56	0.0	-79.08	411.77	5.32	-73.76
C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030299281	1	49	0.0	-74.57	373.76	3.08	-71.49
O=C(CC[N@@H+]1CCC(F)C1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030299288	1	52	0.0	-81.96	408.66	4.47	-77.49
COC1C[N@@H+](C)C(C)(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030299296	1	56	0.0	-80.31	423.84	2.97	-77.34
O=C(CC[NH+]1CCCCCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030299305	0	58	0.0	-78.67	428.12	5.27	-73.40
O=C(C[NH+]1CCCCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030299307	0	52	0.0	-75.44	395.79	4.53	-70.91
CC1C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC[N@@H+]1C	REAL300030299317	0	52	0.0	-76.56	396.11	4.19	-72.37
CC1C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC[N@H+]1C	REAL300030299317	1	52	0.0	-80.21	396.93	3.93	-76.28
C[N@@H+]1CCCCC1CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030299319	0	58	0.0	-81.14	428.02	5.37	-75.77
C[N@H+]1CCCCC1CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030299319	1	58	0.0	-79.99	428.02	5.38	-74.61
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1CC[N@@H+]2CCOCC12	REAL300030299349	0	54	0.0	-81.61	413.03	2.94	-78.67
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1CC[N@H+]2CCOCC12	REAL300030299349	1	54	0.0	-74.38	410.31	2.76	-71.62
CC1=[NH+]C=C2C=CC(C(=O)NC3CN(C(=O)C4=CC(=O)[N-]O4)CC4(CC4)C3)=CN21	REAL300030299354	0	50	0.0	-74.07	405.27	5.81	-68.26
CN1CCOCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030299371	0	53	0.0	-71.49	397.21	2.34	-69.15
C[N@@H+]1CCOCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030299371	1	53	0.0	-69.16	397.23	2.33	-66.83
C[N@H+]1CCOCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030299371	1	53	0.0	-71.49	397.21	2.34	-69.15
CC1=C(C)[NH+]=C(CCC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)N1	REAL300030299379	1	53	0.0	-71.56	423.92	3.81	-67.75
C[N@H+]1CCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030299551	1	49	0.0	-54.87	379.57	3.61	-51.26
CN1CCOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030299577	0	50	0.0	-63.75	382.81	2.82	-60.93
C[N@@H+]1CCOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030299577	1	50	0.0	-65.00	390.63	3.04	-61.96
C[N@H+]1CCOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030299577	1	50	0.0	-63.75	382.81	2.82	-60.93
CC1=[NH+]C=CN1CCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030299739	1	53	0.0	-57.43	427.91	5.73	-51.70
C[NH+](C)CC1=CC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C=C1	REAL300030299744	0	55	0.0	-65.48	435.18	5.98	-59.50
O=C(CC[NH+]1CCOCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030299745	1	53	0.0	-60.42	412.22	2.85	-57.57
O=C(NC1CN(C(=O)C23CCC[NH+]2CCC3)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030299770	0	53	0.0	-53.25	391.13	4.05	-49.20
O=C(NC1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030299780	1	47	0.0	-58.17	391.45	6.14	-52.03
C[NH+](C)C1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030299840	0	58	0.0	-59.41	425.79	5.23	-54.18
C[N@@H+]1CCC(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030299843	0	52	0.0	-59.69	403.27	4.43	-55.26
C[N@H+]1CCC(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030299843	1	52	0.0	-61.23	403.57	4.42	-56.81
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030299855	0	51	0.0	-85.06	408.91	2.65	-82.41
CCC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[NH+](C)C	REAL300030299860	0	51	0.0	-54.52	384.36	3.70	-50.82
C[NH+](C)CCCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030299927	0	54	0.0	-61.87	422.31	4.95	-56.92
CC(C)C(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[NH+](C)C	REAL300030299949	0	54	0.0	-58.50	394.08	4.09	-54.41
CCC[N@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030299951	0	54	0.0	-58.72	418.55	4.79	-53.93
CCC[N@@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030299951	1	54	0.0	-58.83	418.46	4.78	-54.05
CCC[N@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030299957	0	51	0.0	-56.90	396.17	4.20	-52.70
CCC[N@@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030299957	1	51	0.0	-56.90	396.17	4.17	-52.73
O=C(NC1CN(C(=O)C23CC[N@H+](C2)CCC3)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030299981	0	53	0.0	-58.36	383.92	3.46	-54.90
O=C(NC1CN(C(=O)C23CC[N@@H+](C2)CCC3)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030299981	1	53	0.0	-58.73	388.48	3.61	-55.12
CCCCCC[N@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030300017	0	60	0.0	-57.75	460.66	6.53	-51.22
CCCCCC[N@@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030300017	1	60	0.0	-57.75	460.66	6.53	-51.22
CC[NH+](CC)C(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C(C)C	REAL300030300022	0	60	0.0	-55.53	421.22	5.16	-50.37
CC1CC[NH+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC1	REAL300030300055	0	55	0.0	-56.10	419.44	5.23	-50.87
C[NH+]1CCC(OCC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC1	REAL300030300083	0	56	0.0	-64.84	436.85	4.93	-59.91
O=C(NC1CN(C(=O)C2CC3CCCC[N@@H+]3C2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030300128	0	56	0.0	-57.55	421.21	5.31	-52.24
O=C(NC1CN(C(=O)C2CC3CCCC[N@H+]3C2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030300128	1	56	0.0	-57.61	421.10	5.33	-52.28
C[NH+](C)CC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC1	REAL300030300139	0	52	0.0	-52.45	402.23	4.31	-48.14
CC1=[NH+]C=C2CCC(C(=O)N3CC(NC(=O)C4=CC(=O)[N-]O4)CC4(CC4)C3)CN21	REAL300030300140	1	54	0.0	-50.74	426.23	5.43	-45.31
CC(C)[NH+]1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC1	REAL300030300151	0	58	0.0	-56.71	431.93	5.33	-51.38
CC[N@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030300176	0	51	0.0	-58.28	396.95	4.03	-54.25
CC[N@@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030300176	1	51	0.0	-58.56	397.05	4.06	-54.50
CC(C)(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[NH+]1CCCCC1	REAL300030300202	0	58	0.0	-51.76	415.58	5.07	-46.69
O=C(NC1CN(C(=O)C2C[NH+]3CCC2CC3)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030300212	0	53	0.0	-62.27	394.24	4.28	-57.99
C[NH+]1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC1	REAL300030300292	0	52	0.0	-59.80	401.40	4.34	-55.46
CC(C)[C@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[NH+](C)C	REAL300030300310	0	54	0.0	-56.15	392.37	4.10	-52.05
CC[NH+](CC)CC(F)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030300405	0	54	0.0	-60.59	418.65	4.78	-55.81
CC(C)C[N@@H+]1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030300440	0	58	0.0	-56.09	434.36	5.59	-50.50
CC(C)C[N@H+]1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030300440	1	58	0.0	-58.27	437.98	5.57	-52.70
C[NH+](C)C1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CCC1	REAL300030300444	0	52	0.0	-54.55	377.33	3.57	-50.98
CCC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[NH+](CC)CC	REAL300030300475	0	57	0.0	-54.97	418.16	5.02	-49.95
CC1CCC[N@@H+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030300495	0	52	0.0	-53.80	401.22	4.51	-49.29
CC1CCC[N@H+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030300495	1	52	0.0	-54.06	402.17	4.55	-49.51
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[NH+]1CCCCCC1	REAL300030300565	0	58	0.0	-68.69	421.93	5.16	-63.53
CC(C)[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030300567	0	58	0.0	-52.57	427.84	5.24	-47.33
CC(C)[N@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030300567	1	58	0.0	-52.16	420.69	5.01	-47.15
CC(C)[N@@H+]1CCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030300588	0	55	0.0	-51.49	401.53	4.86	-46.63
CC(C)[N@H+]1CCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030300588	1	55	0.0	-52.81	412.29	4.67	-48.14
CC(C)[N@@H+]1CCCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030300594	0	58	0.0	-54.64	428.40	4.93	-49.71
CC(C)[N@H+]1CCCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030300594	1	58	0.0	-52.19	427.27	4.93	-47.26
CC(C)[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[NH+](C)C	REAL300030300609	0	54	0.0	-56.69	397.41	4.16	-52.53
CC1CC[N@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030300630	0	52	0.0	-55.86	402.17	4.44	-51.42
CC1CC[N@@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030300630	1	52	0.0	-55.92	402.92	4.47	-51.45
CC1=[NH+]C=C2CC(C(=O)N3CC(NC(=O)C4=CC(=O)[N-]O4)CC4(CC4)C3)CCN21	REAL300030300632	1	54	0.0	-52.94	425.86	5.45	-47.49
CC1(C)CC[N@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030300635	0	55	0.0	-55.51	421.91	5.01	-50.50
CC1(C)CC[N@@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030300635	1	55	0.0	-55.54	421.77	5.00	-50.54
C[N@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)CC(C)(C)C	REAL300030300636	0	57	0.0	-56.00	424.77	5.18	-50.82
C[N@@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)CC(C)(C)C	REAL300030300636	1	57	0.0	-55.66	426.68	5.32	-50.34
CC[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[NH+](C)C	REAL300030300645	0	51	0.0	-56.09	377.86	3.51	-52.58
CN(CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1=CC=[NH+]C=C1	REAL300030300772	0	54	0.0	-55.17	431.69	4.48	-50.69
CC1=[NH+]C=CN1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030300856	1	47	0.0	-55.53	386.31	4.37	-51.16
CC(C[NH+]1CCOCC1)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030300858	0	56	0.0	-58.28	426.30	3.29	-54.99
O=C(CCC[NH+]1CCCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030300875	0	58	0.0	-59.19	442.44	6.06	-53.13
C[NH+](C)CC1=CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)=NO1	REAL300030300893	1	51	0.0	-81.28	411.84	4.03	-77.25
CC1=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C=CC2=C[NH+]=CN21	REAL300030300894	0	50	0.0	-59.48	406.41	6.45	-53.03
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030300929	1	53	0.0	-54.26	422.56	5.50	-48.76
O=C(NC1CN(C(=O)C2CCCC3CCC[N@@H+]32)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030300965	0	56	0.0	-53.10	410.50	4.94	-48.16
O=C(NC1CN(C(=O)C2CCCC3CCC[N@H+]32)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030300965	1	56	0.0	-50.57	421.64	5.47	-45.10
CC[N@@H+]1CCOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030300987	1	53	0.0	-61.90	400.61	3.48	-58.42
CC[N@H+]1CCOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030300987	1	53	0.0	-61.84	400.62	3.47	-58.37
O=C(NC1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030301040	0	47	0.0	-54.53	391.34	6.09	-48.44
CC1=C[NH+]=CN1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030301045	1	47	0.0	-57.29	385.66	5.07	-52.22
C[C@@H]1[C@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC[N@@H+]1C	REAL300030301061	0	52	0.0	-60.11	392.47	3.73	-56.38
C[C@@H]1[C@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC[N@H+]1C	REAL300030301061	1	52	0.0	-55.88	394.16	4.28	-51.60
CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC[N@@H+]1C	REAL300030301066	0	55	0.0	-59.97	409.84	4.30	-55.67
CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC[N@H+]1C	REAL300030301066	1	55	0.0	-56.60	412.49	4.57	-52.03
CC1CCC(C)[NH+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030301079	0	55	0.0	-53.22	414.57	4.81	-48.41
O=C(CCC[NH+]1CCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030301085	0	55	0.0	-59.77	425.18	5.25	-54.52
C[NH+](C)CC1=CC=CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)=C1	REAL300030301086	0	55	0.0	-64.02	435.09	5.95	-58.07
C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC1	REAL300030301092	0	54	0.0	-58.23	426.44	5.58	-52.65
O=C(CC[NH+]1CCCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030301093	0	55	0.0	-57.81	420.94	5.26	-52.55
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030301097	0	55	0.0	-58.04	428.95	6.18	-51.86
CC[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030301101	0	55	0.0	-53.34	404.13	4.54	-48.80
CC[N@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030301101	1	55	0.0	-55.02	401.44	4.40	-50.62
C[NH+](C)C(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1=CC=CC=C1	REAL300030301104	1	55	0.0	-68.84	428.53	6.02	-62.82
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030301109	1	54	0.0	-57.95	428.52	6.83	-51.12
C[NH+](C)C1(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CCCC1	REAL300030301145	0	58	0.0	-58.09	420.79	5.28	-52.81
C[N@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1CCC1	REAL300030301310	0	52	0.0	-55.60	402.99	4.74	-50.86
C[N@@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1CCC1	REAL300030301310	1	52	0.0	-55.01	403.10	4.75	-50.26
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[NH+]1C(C)CCC1C	REAL300030301335	0	58	0.0	-51.58	414.70	4.49	-47.09
O=C(CCCC[NH+]1CCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030301348	0	58	0.0	-60.52	448.28	6.14	-54.38
C[N@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)CC1=CC=CC=C1	REAL300030301350	1	55	0.0	-59.11	433.60	6.37	-52.74
C[N@@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)CC1=CC=CC=C1	REAL300030301350	1	55	0.0	-59.05	433.60	6.36	-52.69
C[NH+]1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC1	REAL300030301361	0	52	0.0	-59.80	401.40	4.34	-55.46
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030301406	0	49	0.0	-54.01	375.33	3.31	-50.70
C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030301406	1	49	0.0	-54.91	379.65	3.61	-51.30
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030301430	1	51	0.0	-52.18	402.06	4.54	-47.64
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030301430	1	51	0.0	-54.45	408.39	4.95	-49.50
C[N@@H+]1CCCC1CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030301436	0	55	0.0	-55.61	424.33	5.31	-50.30
C[N@H+]1CCCC1CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030301436	1	55	0.0	-60.32	418.87	4.84	-55.48
O=C(NC1CN(C(=O)C23CCC[NH+](CCC2)C3)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030301447	0	56	0.0	-60.25	400.24	4.38	-55.87
O=C(NC1CN(C(=O)C2CCC3CCCC[N@@H+]32)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030301454	0	56	0.0	-51.52	421.26	5.52	-46.00
O=C(NC1CN(C(=O)C2CCC3CCCC[N@H+]32)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030301454	1	56	0.0	-51.43	417.16	5.25	-46.18
CCC[N@@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030301527	0	58	0.0	-60.37	431.02	5.58	-54.79
CCC[N@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030301527	1	58	0.0	-54.76	440.63	5.73	-49.03
CC(C)[N@@H+]1CCOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030301544	1	56	0.0	-85.44	425.06	4.19	-81.25
CC(C)[N@H+]1CCOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030301544	1	56	0.0	-60.10	417.39	3.99	-56.11
C[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030301575	0	52	0.0	-55.62	381.56	3.76	-51.86
C[N@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030301575	1	52	0.0	-56.89	396.71	4.30	-52.59
CC(C)C[N@@H+]1CCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030301599	0	58	0.0	-53.73	440.84	5.83	-47.90
CC(C)C[N@H+]1CCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030301599	1	58	0.0	-54.32	434.35	5.39	-48.93
O=C(C[NH+]1CCC(CO)CC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030301614	0	56	0.0	-58.05	430.27	1.92	-56.13
CC1C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC[N@@H+]1C	REAL300030301660	0	52	0.0	-55.80	396.62	4.01	-51.79
CC1C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC[N@H+]1C	REAL300030301660	1	52	0.0	-55.93	391.41	3.80	-52.13
C[N@@H+]1CCCCC1CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030301662	0	58	0.0	-59.02	430.90	5.55	-53.47
C[N@H+]1CCCCC1CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030301662	1	58	0.0	-55.61	430.81	5.54	-50.07
NC1=[NH+]C2=C(C=C1C(=O)N1CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C1)CCC2	REAL300030301694	1	52	0.0	-50.27	413.57	3.52	-46.75
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030301758	0	55	0.0	-52.58	417.41	4.45	-48.13
CC(C)(C)[N@H+]1CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030301758	1	55	0.0	-52.56	395.22	3.61	-48.95
C[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[NH+](C)C	REAL300030301777	0	48	0.0	-56.29	372.58	3.11	-53.18
C[NH+](C)CC1=CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)=CC=N1	REAL300030301791	1	54	0.0	-73.75	430.10	4.10	-69.65
C=CCC(C)(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[NH+](C)C	REAL300030301795	0	55	0.0	-55.39	401.79	4.37	-51.02
O=C(CC[NH+]1CCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030301820	0	52	0.0	-57.84	404.52	4.50	-53.34
C[N@H+](CCO)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030301830	1	49	0.0	-56.88	385.02	0.20	-56.68
C[N@@H+](CCO)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030301830	1	49	0.0	-56.33	384.79	0.21	-56.12
O=C(NC1CN(C(=O)C2C[N@@H+]3CCN2CCC3)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030301868	0	55	0.0	-63.80	402.93	1.99	-61.81
O=C(NC1CN(C(=O)C2C[N@H+]3CCN2CCC3)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030301868	1	55	0.0	-63.90	400.06	2.15	-61.75
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[NH+]1CCSCC1	REAL300030301890	1	53	0.0	-55.95	414.17	4.71	-51.24
C[N@H+]1CC=C(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC1	REAL300030301930	0	53	0.0	-62.52	416.01	5.13	-57.39
C[N@@H+]1CC=C(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC1	REAL300030301930	1	53	0.0	-61.92	416.07	5.14	-56.78
C[S+](C)CCC(O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030301945	0	51	0.0	-60.99	417.57	2.20	-58.79
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030301964	0	53	0.0	-59.53	394.52	-0.27	-59.80
C[N@H+]1CC(O)CC1(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030301964	1	53	0.0	-58.25	398.22	0.25	-58.00
CN1CC[N@H+](C)CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030301977	0	57	0.0	-56.67	429.27	2.77	-53.90
CN1CC[N@@H+](C)CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030301977	1	57	0.0	-70.80	425.49	2.59	-68.21
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[N@@H+]1CCCC(O)C1	REAL300030301978	0	56	0.0	-53.76	424.59	1.88	-51.88
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[N@H+]1CCCC(O)C1	REAL300030301978	1	56	0.0	-51.82	424.12	1.79	-50.03
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302005	0	52	0.0	-51.54	417.99	3.56	-47.98
C[N@@H+]1CCCC(O)(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030302011	0	56	0.0	-56.93	417.48	2.97	-53.96
C[N@H+]1CCCC(O)(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030302011	1	56	0.0	-58.31	414.55	3.03	-55.28
CC1C[NH+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030302016	1	49	0.0	-56.74	388.19	3.84	-52.90
CC[N@@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030302023	0	55	0.0	-52.18	410.81	5.12	-47.06
CC[N@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030302023	1	55	0.0	-56.43	418.30	4.95	-51.48
NC1=[NH+]C=CC=C1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302029	0	48	0.0	-58.65	391.14	2.61	-56.04
O=C(NC1CN(C(=O)C2CCC[N@@H+]2C2CC2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030302042	0	53	0.0	-52.55	410.70	5.07	-47.48
O=C(NC1CN(C(=O)C2CCC[N@H+]2C2CC2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030302042	1	53	0.0	-52.24	405.19	4.87	-47.37
O=C(C=CC[NH+]1CCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302085	0	53	0.0	-79.80	417.20	5.15	-74.65
O=C(NC1CN(C(=O)C2CC[NH+](C3CC3)CC2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030302108	0	56	0.0	-56.91	426.23	5.55	-51.36
CC[N@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302155	0	48	0.0	-56.49	374.62	3.42	-53.07
O=C(CN1CC2C=CC1C2)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302215	0	51	0.0	-54.18	396.45	4.74	-49.44
O=C(C[N@@H+]1CC2C=CC1C2)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302215	1	51	0.0	-54.19	396.20	4.74	-49.45
O=C(C[N@H+]1CC2C=CC1C2)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302215	1	51	0.0	-54.19	396.20	4.74	-49.45
CC1=CC=C(NCCC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)N=C1	REAL300030302237	0	54	0.0	-55.19	435.80	4.22	-50.97
CC1=CC=C(NCCC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)[NH+]=C1	REAL300030302237	1	54	0.0	-55.19	435.80	4.22	-50.97
O=C(NC1CN(C(=O)C23CCC[N@@H+]2CCCC3)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030302343	0	56	0.0	-52.15	403.26	4.38	-47.77
O=C(NC1CN(C(=O)C23CCC[N@H+]2CCCC3)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030302343	1	56	0.0	-52.15	403.26	4.38	-47.77
O=C(NC1CN(C(=O)C23CCC[N@@H+]2CC=CC3)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030302352	0	54	0.0	-52.80	393.83	4.33	-48.47
O=C(NC1CN(C(=O)C23CCC[N@H+]2CC=CC3)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030302352	1	54	0.0	-52.80	393.83	4.33	-48.47
CC(OCC[NH+](C)C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302363	0	55	0.0	-58.69	429.10	4.38	-54.31
C[NH+](C)CCOCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302373	0	55	0.0	-58.97	433.77	3.61	-55.36
COCCN(C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302375	0	52	0.0	-55.97	407.05	2.61	-53.36
COCC[N@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302375	1	52	0.0	-56.54	407.27	2.60	-53.94
COCC[N@@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302375	1	52	0.0	-56.54	407.27	2.60	-53.94
CC(CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[NH+](C)C	REAL300030302381	0	54	0.0	-57.20	410.59	4.54	-52.66
CC[N@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1CC1	REAL300030302408	0	52	0.0	-54.92	398.25	4.67	-50.25
CC1C[N@@H+]2CCN1C(C(=O)N1CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C1)C2	REAL300030302424	0	55	0.0	-55.26	404.51	1.39	-53.87
C[N@@H+]1CC2CC1(C(=O)N1CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C1)C2	REAL300030302449	0	50	0.0	-50.23	382.16	3.71	-46.52
CC1=NC(N)=CC=C1C=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302459	0	52	0.0	-76.63	420.85	3.45	-73.18
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302459	1	52	0.0	-76.63	420.85	3.45	-73.18
O=C(C[N@@H+]1CC2CCC1C2)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302466	0	53	0.0	-54.00	401.09	4.68	-49.32
O=C(C[N@H+]1CC2CCC1C2)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302466	1	53	0.0	-54.00	401.09	4.68	-49.32
CC(C[NH+](C)C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302488	0	51	0.0	-57.92	395.41	3.92	-54.00
CCN1CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302540	0	49	0.0	-55.92	378.56	3.33	-52.59
CC[N@@H+]1CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302540	1	49	0.0	-55.65	387.94	3.69	-51.96
CC[N@H+]1CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302540	1	49	0.0	-55.65	387.94	3.69	-51.96
CC(C)[N@@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030302553	0	58	0.0	-55.26	435.67	5.48	-49.78
CC(C)[N@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030302553	1	58	0.0	-55.26	435.67	5.48	-49.78
CCC(C)(C)[NH2+]C(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302568	0	57	0.0	-55.19	421.24	3.27	-51.92
C#CCN1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302612	0	54	0.0	-51.96	422.85	5.56	-46.40
C#CC[N@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302612	1	54	0.0	-55.16	408.99	4.92	-50.24
C#CC[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302612	1	54	0.0	-55.16	408.99	4.92	-50.24
CNC1=NC(C)=CC=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302613	0	51	0.0	-50.64	409.04	3.34	-47.30
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302613	1	51	0.0	-50.64	409.04	3.34	-47.30
CCCC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[NH+](C)C	REAL300030302623	0	54	0.0	-55.01	405.89	4.46	-50.55
C[NH+](C)C(C)(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302630	0	51	0.0	-56.84	374.35	3.23	-53.61
CC(CC[NH+](C)C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302649	0	54	0.0	-60.17	417.08	4.57	-55.60
O=C(NC1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030302720	0	54	0.0	-53.73	409.40	5.84	-47.89
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302759	0	55	0.0	-52.85	416.01	4.34	-48.51
C[NH+](C)CCCCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302764	0	57	0.0	-63.17	443.81	5.73	-57.44
O=C(CC[NH+]1CCC(O)CC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302768	0	56	0.0	-62.11	432.03	1.91	-60.20
CCC[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302772	0	58	0.0	-52.11	435.67	5.67	-46.44
CCC[N@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302772	1	58	0.0	-52.11	435.67	5.67	-46.44
CN1CCN(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC1	REAL300030302782	0	54	0.0	-62.69	415.91	2.26	-60.43
C[NH+]1CCN(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC1	REAL300030302782	1	54	0.0	-62.69	415.91	2.26	-60.43
CC1C[N@H+](C)CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)O1	REAL300030302884	1	53	0.0	-63.93	404.02	3.58	-60.35
CC1C[N@@H+](C)CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)O1	REAL300030302884	1	53	0.0	-54.44	401.09	3.53	-50.91
CCC1CCC[N@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030302917	0	58	0.0	-55.70	437.87	5.87	-49.83
CCC1CCC[N@@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030302917	1	58	0.0	-55.65	430.80	5.84	-49.81
C[NH+](C)CC1=CC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)N1	REAL300030302926	0	53	0.0	-93.12	418.60	4.34	-88.78
O=C(C[NH+]1CC2CC2C1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302941	0	50	0.0	-55.99	392.41	4.65	-51.34
O=C(CC1([NH+]2CCCC2)CC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302954	0	56	0.0	-54.78	422.01	5.56	-49.22
C[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302993	0	52	0.0	-55.62	381.56	3.76	-51.86
C[N@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302993	1	52	0.0	-56.89	396.71	4.30	-52.59
C[N@@H+]1CCC(=CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030303116	0	50	0.0	-79.23	394.75	4.31	-74.92
C[N@H+]1CCC(=CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030303116	1	50	0.0	-78.77	394.65	4.33	-74.44
O=C(CNC1=CC=[NH+]C=C1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030303121	0	48	0.0	-57.42	392.64	2.05	-55.37
CC[NH+]1CCN(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC1	REAL300030303178	0	57	0.0	-61.26	433.15	2.90	-58.36
O=C(C=C1C[NH+]2CCC1CC2)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030303181	0	54	0.0	-67.68	412.28	5.21	-62.47
C[NH+](C)C1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CCCC1	REAL300030303219	0	55	0.0	-57.21	393.71	3.97	-53.24
C[N@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[C@@H]1CCC[C@H]1O	REAL300030303230	0	56	0.0	-54.98	426.94	2.04	-52.94
C[N@@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[C@@H]1CCC[C@H]1O	REAL300030303230	1	56	0.0	-56.71	427.89	1.98	-54.73
CCC1C[NH+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030303236	1	52	0.0	-57.21	409.55	4.60	-52.61
O=C(NC1CN(C(=O)C2([NH+]3CCCC3)CCC2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030303240	0	56	0.0	-74.66	411.09	4.83	-69.83
C[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030303254	0	49	0.0	-54.20	382.15	3.70	-50.50
C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030303254	1	49	0.0	-57.97	375.44	3.32	-54.65
CC[N@@H+]1CCOCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030303285	0	56	0.0	-57.87	420.57	3.11	-54.76
NC1=NC2=CC(C(=O)N3CC(NC(=O)C4=CC(=O)[N-]O4)CC4(CC4)C3)=CC=C2N1	REAL300030303375	0	49	0.0	-77.37	398.90	3.65	-73.72
NC1=[NH+]C2=CC(C(=O)N3CC(NC(=O)C4=CC(=O)[N-]O4)CC4(CC4)C3)=CC=C2N1	REAL300030303375	1	49	0.0	-77.37	398.90	3.65	-73.72
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030303413	0	52	0.0	-61.62	406.06	4.47	-57.15
C[NH+](C)C1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC1	REAL300030303428	0	58	0.0	-83.01	435.30	5.51	-77.50
C[NH+](C)CCC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC1	REAL300030303429	0	55	0.0	-53.28	424.86	5.07	-48.21
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC1	REAL300030303431	0	58	0.0	-58.13	427.23	5.44	-52.69
C[N@@H+]1CC=CCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030303432	0	53	0.0	-59.14	408.09	4.89	-54.25
C[N@H+]1CC=CCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030303432	1	53	0.0	-59.14	408.09	4.89	-54.25
CC1=CC(C=CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)=CN=C1N	REAL300030303482	0	52	0.0	-81.14	420.99	3.76	-77.38
CC1=CC(C=CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)=C[NH+]=C1N	REAL300030303482	1	52	0.0	-81.14	420.99	3.76	-77.38
C[NH+](C)CCOCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030303495	0	52	0.0	-61.53	412.82	3.91	-57.62
CCCCC[N@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030303501	0	60	0.0	-59.70	461.45	6.34	-53.36
CCCCC[N@@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030303501	1	60	0.0	-59.70	461.45	6.34	-53.36
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)O1	REAL300030303513	0	56	0.0	-61.76	432.54	4.67	-57.09
[NH2+]=C1SC=CN1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030303538	0	45	0.0	-55.25	384.01	2.96	-52.29
C[C@@H](OCC[NH+](C)C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030303612	0	55	0.0	-58.64	429.05	4.36	-54.28
O=C(CC[NH+]1CCCCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030303656	0	58	0.0	-58.34	431.39	5.82	-52.52
O=C(C[NH+]1CCCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030303660	0	52	0.0	-55.39	398.64	4.62	-50.77
C[N@@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030303662	0	52	0.0	-60.93	401.49	4.31	-56.62
C[N@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030303662	1	52	0.0	-53.40	393.12	4.46	-48.94
O=C(C[NH+]1CCC(CO)CC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030303663	0	56	0.0	-58.05	430.27	1.92	-56.13
O=C(C[NH+]1CCCCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030303666	0	55	0.0	-56.60	407.98	4.81	-51.79
CN1C=C[N+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)=C1	REAL300030303671	0	47	0.0	-55.83	388.18	6.28	-49.55
C[NH+](C)CC1=CC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)O1	REAL300030303689	1	52	0.0	-86.91	418.28	4.53	-82.38
C[NH+](C)CC1=CC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C=N1	REAL300030303695	0	54	0.0	-81.75	429.00	3.93	-77.82
O=C(C[NH+]1CCC(O)CC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030303709	1	53	0.0	-59.26	409.68	1.27	-57.99
C[N@@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1CC1	REAL300030303714	1	49	0.0	-55.11	386.30	4.15	-50.96
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)N1CC[NH+](C)CC1	REAL300030303716	1	57	0.0	-63.13	432.43	2.67	-60.46
O=C(CC[N@@H+]1CCC(F)C1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030303719	1	52	0.0	-61.72	411.49	4.60	-57.12
COC1C[N@@H+](C)C(C)(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030303730	1	56	0.0	-57.65	416.50	2.10	-55.55
CC(CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C[NH+](C)C	REAL300030303750	0	54	0.0	-61.25	413.97	4.83	-56.42
O=C(NC1CN(C(=O)C2CC[N@@H+]3CCOCC23)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030303766	0	54	0.0	-57.81	411.23	2.89	-54.92
O=C(NC1CN(C(=O)C2CC[N@H+]3CCOCC23)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030303766	1	54	0.0	-58.48	407.39	2.99	-55.49
CC1=[NH+]C=C2C=CC(C(=O)N3CC(NC(=O)C4=CC(=O)[N-]O4)CC4(CC4)C3)=CN21	REAL300030303771	0	50	0.0	-57.49	412.90	5.89	-51.60
CN1CCOCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030303788	0	53	0.0	-60.60	407.46	2.63	-57.97
C[N@@H+]1CCOCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030303788	1	53	0.0	-55.15	400.07	2.49	-52.66
C[N@H+]1CCOCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030303788	1	53	0.0	-60.60	407.46	2.63	-57.97
CC[NH+]1CCN(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC1	REAL300030303796	0	57	0.0	-61.26	433.15	2.90	-58.36
CC1=CC(N)=[NH+]C=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030303851	1	48	0.0	-54.79	387.96	2.04	-52.75
NC1=CC=C(CCC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C=[NH+]1	REAL300030303854	0	51	0.0	-57.57	415.87	3.29	-54.28
CC1(O)CC[N@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030303895	0	53	0.0	-57.31	412.85	1.18	-56.13
CC1(O)CC[N@@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030303895	1	53	0.0	-55.89	413.28	1.16	-54.73
C[NH+]1CC(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030303930	0	49	0.0	-59.38	388.07	3.56	-55.82
O=C(NC1CN(C(=O)C2CC[N@@H+]2C2CCCC2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030303935	0	56	0.0	-54.71	421.22	5.30	-49.41
O=C(NC1CN(C(=O)C2CC[N@H+]2C2CCCC2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030303935	1	56	0.0	-54.65	420.77	5.14	-49.51
C[NH+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030303943	0	45	0.0	-57.81	356.95	2.77	-55.04
C[N@H+](CCO)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030303972	0	52	0.0	-59.24	407.31	0.81	-58.43
C[N@@H+](CCO)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030303972	1	52	0.0	-58.15	407.35	0.81	-57.34
C[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[NH+](C)C	REAL300030303973	0	48	0.0	-56.29	372.58	3.11	-53.18
C[N@@H+]1CCCCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030303995	0	55	0.0	-55.20	408.66	4.86	-50.34
C[N@H+]1CCCCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030303995	1	55	0.0	-55.23	408.64	4.86	-50.37
CC1=C2C=C(C(=O)N3CC(NC(=O)C4=CC(=O)[N-]O4)CC4(CC4)C3)C=CN2C=[NH+]1	REAL300030304017	1	50	0.0	-58.65	413.52	6.72	-51.93
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[NH+]1CC(C)C1	REAL300030304018	1	52	0.0	-53.23	404.88	4.32	-48.91
CC1CC[N@@H+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030304022	1	49	0.0	-55.22	388.25	3.86	-51.36
CC1CC[N@H+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030304022	1	49	0.0	-56.15	388.22	3.83	-52.32
C[NH+](C)CC=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030304036	0	49	0.0	-80.24	391.78	4.00	-76.24
CC1(C)C[NH+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C1	REAL300030304049	1	52	0.0	-56.31	407.48	4.37	-51.94
CC1=C(C)[NH+]=C(CCC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)N1	REAL300030304068	1	53	0.0	-53.37	427.10	4.09	-49.28
CC1=C2C=C(C(=O)N3CC(NC(=O)C4=CC(=O)[N-]O4)CC4(CC4)C3)C=CN2C=[NH+]1	REAL300030304079	1	50	0.0	-58.65	413.52	6.72	-51.93
C[NH+](C)CCSCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030304089	0	52	0.0	-63.96	423.84	4.80	-59.16
O=C(C[N@H+]1CCCC1CO)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030304115	0	53	0.0	-54.74	411.48	1.42	-53.32
O=C(C[N@@H+]1CCCC1CO)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030304115	1	53	0.0	-54.28	402.70	1.31	-52.97
CC[NH+](CC)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030304119	0	51	0.0	-55.10	388.54	3.84	-51.26
C[N@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1CCSC1	REAL300030304130	0	53	0.0	-61.51	416.29	5.02	-56.49
C[N@@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1CCSC1	REAL300030304130	1	53	0.0	-61.22	416.28	5.00	-56.22
O=C(C[NH+]1CCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030304132	1	46	0.0	-57.17	367.20	3.23	-53.94
CC[NH+](CC)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030304183	0	54	0.0	-57.35	414.90	4.75	-52.60
C[NH+](C)CC1=CNC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)=C1	REAL300030304250	0	53	0.0	-81.58	420.18	4.34	-77.24
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[NH+]1CCC(O)CC1	REAL300030304269	0	56	0.0	-56.05	419.46	1.39	-54.66
O=C(NC1CN(C(=O)C2CC3COCC[N@@H+]3C2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030304275	0	54	0.0	-58.88	412.61	2.95	-55.93
O=C(NC1CN(C(=O)C2CC3COCC[N@H+]3C2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030304275	1	54	0.0	-58.29	409.30	2.85	-55.44
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[NH+]1CCC1	REAL300030304290	1	49	0.0	-55.69	382.12	3.62	-52.07
CCC(CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C[NH+](C)C	REAL300030304297	0	57	0.0	-58.15	431.79	5.45	-52.70
NC1=CC=C(C=CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C=[NH+]1	REAL300030304304	0	49	0.0	-82.15	403.29	3.03	-79.12
C[NH+](C)CC(C)(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030304305	0	54	0.0	-57.78	393.92	3.85	-53.93
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030304369	0	52	0.0	-56.99	383.75	3.72	-53.27
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030304369	1	52	0.0	-56.93	396.70	4.29	-52.64
CC1CN2CC[N@@H+]1CC2C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030304384	0	55	0.0	-61.63	404.83	1.28	-60.35
CC1CN2CC[N@H+]1CC2C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030304384	1	55	0.0	-53.85	404.43	1.33	-52.52
C[NH+](C)CC(O)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030304405	0	52	0.0	-62.79	409.43	1.84	-60.95
C[NH+]1C2CCC1CC(C(=O)N1CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C1)C2	REAL300030304408	0	56	0.0	-58.23	401.85	4.51	-53.72
C=CCC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)[NH+](C)C	REAL300030304441	0	52	0.0	-55.51	397.55	4.22	-51.29
O=C(NC1CN(C(=O)C2CC3CCCC[N@@H+]3C2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030304451	0	56	0.0	-57.55	421.21	5.31	-52.24
O=C(NC1CN(C(=O)C2CC3CCCC[N@H+]3C2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030304451	1	56	0.0	-57.61	421.10	5.33	-52.28
C[NH+]1CCC(C)(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC1	REAL300030304462	0	55	0.0	-55.89	400.52	4.21	-51.68
C[NH+]1CCC(O)(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)CC1	REAL300030304464	0	56	0.0	-61.11	427.35	3.10	-58.01
CC1=C2C=C(C(=O)NC3CN(C(=O)C4=CC(=O)[N-]O4)CC4(CC4)C3)C=CN2C=[NH+]1	REAL300030304546	1	50	0.0	-81.61	406.43	6.75	-74.86
C[NH+](C)CCSCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030304555	0	52	0.0	-83.04	420.58	4.47	-78.57
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1CC2COCC[N@@H+]2C1	REAL300030304563	0	54	0.0	-78.17	412.88	2.98	-75.19
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1CC2COCC[N@H+]2C1	REAL300030304563	1	54	0.0	-74.22	412.41	3.01	-71.21
C[N@@H+]1CCCC1C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030304726	0	49	0.0	-68.13	368.96	0.02	-68.11
C[N@H+]1CCCC1C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030304726	1	49	0.0	-68.08	370.46	0.35	-67.73
C[N@@H+]1CCOC(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030304750	1	50	0.0	-87.53	381.59	-0.26	-87.79
C[N@H+]1CCOC(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030304750	1	50	0.0	-75.27	373.53	-0.65	-75.92
CC(C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300030304908	0	58	0.0	-67.10	413.19	1.74	-65.36
CC(C)[N@@H+]1CCCCC1C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030304910	0	58	0.0	-65.68	417.32	1.80	-63.88
CC(C)[N@H+]1CCCCC1C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030304910	1	58	0.0	-66.04	411.64	2.00	-64.04
CC(C)[N@@H+]1CCCC1C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030304930	0	55	0.0	-66.30	402.37	1.35	-64.95
CC(C)[N@H+]1CCCC1C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030304930	1	55	0.0	-70.41	396.62	1.52	-68.89
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@@H+]2C1	REAL300030304946	0	56	0.0	-75.23	411.82	2.03	-73.20
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@H+]2C1	REAL300030304946	1	56	0.0	-75.94	410.81	1.82	-74.12
CC(C)C1=[NH+]C=CN1CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030304964	1	53	0.0	-67.22	409.03	1.80	-65.42
CC1=[NH+]C=CN1CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030304991	1	47	0.0	-67.90	372.69	0.66	-67.24
CC(C[NH+]1CCOCC1)C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030304992	0	56	0.0	-74.61	414.67	-0.24	-74.85
O=C(CCC[NH+]1CCCCC1)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030305007	0	58	0.0	-74.51	429.72	2.53	-71.98
CC(C)(C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300030305024	0	58	0.0	-73.17	413.63	2.19	-70.98
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+]2CCC1CC2	REAL300030305032	0	53	0.0	-79.84	384.62	0.84	-79.00
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC2CCC[N@@H+]21	REAL300030305071	0	56	0.0	-64.21	408.78	2.12	-62.09
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC2CCC[N@H+]21	REAL300030305071	1	56	0.0	-64.31	408.83	2.14	-62.17
C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030305084	0	52	0.0	-78.16	379.62	0.06	-78.10
C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030305084	1	52	0.0	-74.45	386.84	0.90	-73.55
CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030305088	0	55	0.0	-75.52	402.24	1.13	-74.39
CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030305088	1	55	0.0	-75.18	405.28	1.10	-74.08
CC[N@@H+]1CCOC(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030305097	1	53	0.0	-85.00	398.48	0.15	-84.85
CC[N@H+]1CCOC(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030305097	1	53	0.0	-85.35	399.80	0.52	-84.83
CC[NH+](CC)CC(F)C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030305138	0	54	0.0	-74.55	403.88	0.62	-73.93
CC1CCC(C)[NH+]1CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030305198	0	55	0.0	-71.24	391.75	0.48	-70.76
O=C(CCC[NH+]1CCCC1)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030305204	0	55	0.0	-74.12	413.02	1.74	-72.38
C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030305209	0	54	0.0	-78.84	412.57	1.87	-76.97
O=C(CC[NH+]1CCCCC1)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030305210	0	55	0.0	-73.32	408.22	1.70	-71.62
CC[N@@H+]1CCCCC1C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030305215	0	55	0.0	-67.34	404.65	1.65	-65.69
CC[N@H+]1CCCCC1C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030305215	1	55	0.0	-68.95	396.26	0.83	-68.12
CC(C)C[N@@H+]1CCC(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030305229	0	58	0.0	-72.66	429.20	2.24	-70.42
CC(C)C[N@H+]1CCC(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030305229	1	58	0.0	-74.88	431.63	1.66	-73.22
C[NH+](C)C1(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300030305232	0	52	0.0	-66.74	376.93	0.67	-66.07
CC(C)[N@@H+]1CCCC1CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030305234	0	58	0.0	-64.68	416.22	1.57	-63.11
CC(C)[N@H+]1CCCC1CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030305234	1	58	0.0	-71.37	415.07	0.94	-70.43
CC(C)[C@@H](C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030305246	0	54	0.0	-68.08	390.82	1.31	-66.77
C[N@H+](CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030305287	0	52	0.0	-69.58	389.44	1.05	-68.53
C[N@@H+](CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030305287	1	52	0.0	-69.76	389.55	1.05	-68.71
CC(C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300030305340	0	58	0.0	-68.43	404.75	1.01	-67.42
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030305394	1	51	0.0	-71.07	391.33	0.62	-70.45
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030305394	1	51	0.0	-68.80	396.70	1.50	-67.30
C[N@@H+]1CCCC1CCC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030305399	0	55	0.0	-71.85	406.04	0.90	-70.95
C[N@H+]1CCCC1CCC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030305399	1	55	0.0	-72.12	405.31	1.09	-71.03
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[NH+](CCC1)C2	REAL300030305408	0	56	0.0	-73.41	402.05	1.63	-71.78
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC2CCCC[N@@H+]21	REAL300030305411	0	56	0.0	-69.15	405.54	1.95	-67.20
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC2CCCC[N@H+]21	REAL300030305411	1	56	0.0	-68.64	405.40	1.92	-66.72
O=C(CCCC[NH+]1CCCC1)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030305427	0	58	0.0	-76.03	434.53	2.53	-73.50
C[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030305438	0	52	0.0	-79.75	388.78	0.95	-78.80
C[NH+](C)CC1=CC(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300030305470	1	51	0.0	-79.31	401.39	0.05	-79.26
CC1=C(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300030305471	0	50	0.0	-77.99	396.64	2.99	-75.00
C[N@@H+]1CCCCC1C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030305498	0	52	0.0	-68.81	375.44	0.52	-68.29
C[N@H+]1CCCCC1C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030305498	1	52	0.0	-67.48	386.59	1.06	-66.42
CC(C)C[N@@H+]1CCCC1C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030305518	0	58	0.0	-71.69	417.93	1.74	-69.95
CC(C)C[N@H+]1CCCC1C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030305518	1	58	0.0	-68.93	428.84	2.48	-66.45
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN2C=[NH+]C=C2C=C1	REAL300030305612	0	47	0.0	-74.39	373.46	2.58	-71.81
CC1=[NH+]C=CN1CCCC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030305620	1	53	0.0	-70.57	414.31	1.95	-68.62
O=C(CC[NH+]1CCOCC1)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030305624	1	53	0.0	-76.99	398.45	-0.93	-77.92
CC1=C[NH+]=CN1CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030305651	1	47	0.0	-71.44	373.04	1.40	-70.04
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[NH+]1CCC2	REAL300030305687	0	53	0.0	-77.03	388.86	1.28	-75.75
C[NH+](C)C1CCCC(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030305709	0	58	0.0	-73.21	423.02	2.13	-71.08
C[N@@H+]1CCC(CC(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030305712	0	52	0.0	-75.06	391.33	0.46	-74.60
C[N@H+]1CCC(CC(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030305712	1	52	0.0	-75.14	389.14	0.65	-74.49
CN(C)C1=CC=[NH+]C=C1C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030305723	0	51	0.0	-84.42	393.87	-0.12	-84.54
CCC(C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030305728	0	51	0.0	-67.88	375.49	0.42	-67.46
C[NH+](C)C1(CC(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030305739	0	58	0.0	-78.24	408.05	1.72	-76.52
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC2=C[NH+]=CN2C=C1	REAL300030305775	1	47	0.0	-81.03	373.75	2.58	-78.45
C[NH+](C)CCCCC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030305821	0	54	0.0	-76.26	408.66	1.19	-75.07
CC(C)C(C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030305840	0	54	0.0	-67.73	389.61	1.38	-66.35
CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030305842	0	54	0.0	-74.92	404.89	1.02	-73.90
CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030305842	1	54	0.0	-74.91	404.90	1.03	-73.88
CCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030305847	0	51	0.0	-70.98	383.82	0.85	-70.13
CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030305847	1	51	0.0	-70.94	383.86	0.87	-70.07
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@H+](C1)CCC2	REAL300030305868	0	53	0.0	-74.16	386.12	0.09	-74.07
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@@H+](C1)CCC2	REAL300030305868	1	53	0.0	-75.01	385.79	0.50	-74.51
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030305901	0	49	0.0	-70.94	364.15	-0.15	-71.09
C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030305901	1	49	0.0	-68.13	369.06	0.10	-68.03
CCCCCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030305950	0	60	0.0	-72.09	448.36	3.22	-68.87
CCCCCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030305950	1	60	0.0	-72.06	448.34	3.19	-68.87
CC[NH+](CC)C(C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300030305954	0	60	0.0	-63.00	420.86	2.26	-60.74
CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030305962	0	51	0.0	-70.41	374.89	0.13	-70.28
CCC[N@@H+]1CCCC(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030305993	0	58	0.0	-72.44	427.94	2.31	-70.13
CCC[N@H+]1CCCC(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030305993	1	58	0.0	-72.48	427.92	2.30	-70.18
CC(C)[N@@H+]1CCOC(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030306008	1	56	0.0	-73.88	409.07	0.74	-73.14
CC(C)[N@H+]1CCOC(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030306008	1	56	0.0	-83.80	416.42	0.52	-83.28
CC1CC[NH+](CC(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030306036	0	55	0.0	-72.68	405.75	1.56	-71.12
C[NH+]1CCC(OCC(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030306061	0	56	0.0	-82.74	424.08	1.39	-81.35
C[NH+](C)CC1(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030306071	0	52	0.0	-82.26	391.14	1.23	-81.03
CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030306139	0	58	0.0	-75.44	418.58	1.69	-73.75
C[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030306156	0	52	0.0	-79.75	388.78	0.95	-78.80
CC(C)[C@H](C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030306174	0	54	0.0	-69.05	391.40	1.27	-67.78
CCC(C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030306204	0	57	0.0	-64.21	410.44	1.81	-62.40
CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030306258	0	51	0.0	-74.22	383.40	0.27	-73.95
CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030306258	1	51	0.0	-74.16	383.40	0.27	-73.89
CC1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030306309	0	52	0.0	-68.56	389.36	1.07	-67.49
CC1CCC[N@H+]1CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030306309	1	52	0.0	-67.42	382.92	0.68	-66.74
CC1CC[N@H+](CC(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030306311	0	52	0.0	-70.05	390.00	1.12	-68.93
CC1CC[N@@H+](CC(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030306311	1	52	0.0	-71.44	388.64	0.82	-70.62
CC1(C)CC[N@H+](CC(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030306315	0	55	0.0	-70.76	409.57	1.53	-69.23
CC1(C)CC[N@@H+](CC(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030306315	1	55	0.0	-70.96	408.31	1.32	-69.64
C[N@H+](CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030306316	0	57	0.0	-71.00	412.40	1.88	-69.12
C[N@@H+](CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030306316	1	57	0.0	-70.78	414.55	1.87	-68.91
CC[C@@H](C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030306324	0	51	0.0	-67.83	372.82	0.15	-67.68
C[NH+]1CCC(O)(CC(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030306473	0	56	0.0	-69.83	411.80	-0.33	-70.16
C[NH+](C)CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030306484	0	45	0.0	-72.14	343.30	-0.92	-73.06
O=C(C[NH+]1CCC(CO)CC1)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030306488	1	56	0.0	-73.26	416.59	-1.76	-75.02
O=C(C[NH+]1CCCCCC1)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030306489	0	55	0.0	-69.94	395.13	1.34	-68.60
CN1C=C[N+](CC(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030306493	0	47	0.0	-69.86	374.54	2.58	-67.28
C[N@@H+]1CCCC(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030306500	0	52	0.0	-63.43	382.97	1.25	-62.18
C[N@H+]1CCCC(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030306500	1	52	0.0	-73.77	388.78	0.91	-72.86
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@@H+]1C1CC1	REAL300030306505	0	53	0.0	-66.41	400.02	1.79	-64.62
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@H+]1C1CC1	REAL300030306505	1	53	0.0	-74.49	392.33	1.99	-72.50
CC(C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030306529	1	49	0.0	-69.45	372.78	-0.03	-69.48
CCC(CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030306533	0	57	0.0	-81.42	418.82	1.91	-79.51
C[NH+](C)CC(C)(C)C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030306540	0	54	0.0	-67.70	390.85	1.05	-66.65
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC(C1)C[N@@H+]2C1CC1	REAL300030306556	0	54	0.0	-73.82	401.82	2.06	-71.76
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC(C1)C[N@H+]2C1CC1	REAL300030306556	1	54	0.0	-76.39	397.02	2.06	-74.33
O=C(C[NH+]1CCC(O)CC1)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030306564	1	53	0.0	-76.61	397.91	-2.02	-78.63
C[N@H+](CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030306565	0	49	0.0	-67.82	373.48	0.71	-67.11
C[N@@H+](CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030306565	1	49	0.0	-69.36	372.70	0.47	-68.89
CC(C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300030306566	1	57	0.0	-61.77	415.32	-1.48	-63.25
C[NH+]1CC(CC(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030306584	0	49	0.0	-73.88	375.67	0.11	-73.77
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+]1C1CCCC1	REAL300030306588	0	56	0.0	-70.59	410.48	1.90	-68.69
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+]1C1CCCC1	REAL300030306588	1	56	0.0	-72.38	407.68	1.24	-71.14
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030306596	0	55	0.0	-70.26	388.80	0.98	-69.28
CC(C)(C)[N@H+]1CCC1C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030306596	1	55	0.0	-69.18	390.96	-0.13	-69.31
C[C@@H](C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030306607	0	48	0.0	-69.74	362.12	-0.30	-70.04
CCC1CCC[N@H+](CC(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030306642	0	58	0.0	-71.55	425.20	2.41	-69.14
CCC1CCC[N@@H+](CC(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030306642	1	58	0.0	-71.42	425.20	2.41	-69.01
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030306649	0	53	0.0	-89.22	409.86	0.49	-88.73
[NH2+]=C1SC=CN1CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030306690	0	45	0.0	-67.38	371.26	-0.52	-67.90
C[N@H+](CCO)CCC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030306700	0	52	0.0	-73.65	393.75	-2.94	-76.59
C[N@@H+](CCO)CCC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030306700	1	52	0.0	-73.31	393.73	-2.95	-76.26
C[C@@H](C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030306701	0	48	0.0	-69.74	362.12	-0.30	-70.04
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030306705	0	52	0.0	-68.77	375.42	0.52	-68.25
C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030306705	1	52	0.0	-67.68	386.67	0.45	-67.23
CC1CN2CC[N@@H+]1CC2C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030306713	0	55	0.0	-81.53	395.42	-1.80	-83.33
CC1CN2CC[N@H+]1CC2C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030306713	1	55	0.0	-79.60	397.56	-1.59	-81.19
O=C(CC1=CC2=C[NH+]=CN2C=C1)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030306754	0	50	0.0	-70.19	398.92	3.07	-67.12
C[N@H+](CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300030306776	0	53	0.0	-76.53	402.63	1.31	-75.22
C[N@@H+](CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300030306776	1	53	0.0	-74.73	403.47	1.54	-73.19
O=C(C[NH+]1CCC1)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030306777	1	46	0.0	-71.65	354.92	-0.07	-71.72
C[N@@H+]1CCC(=CC(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030306805	0	50	0.0	-76.32	382.42	0.46	-75.86
C[N@H+]1CCC(=CC(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030306805	1	50	0.0	-77.36	383.04	0.85	-76.51
C[NH+](C)CCOCC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030306838	0	52	0.0	-72.37	400.36	0.50	-71.87
CCCCC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030306843	0	60	0.0	-75.88	447.89	2.57	-73.31
CCCCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030306843	1	60	0.0	-75.90	447.89	2.59	-73.31
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030306852	0	56	0.0	-74.62	422.84	1.26	-73.36
C=CCC(C)(C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030306859	0	55	0.0	-74.89	396.65	1.15	-73.74
C[S+](C)CCC(O)C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030306863	0	51	0.0	-81.99	408.15	-1.29	-83.28
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030306888	0	53	0.0	-81.28	391.63	-2.36	-83.64
CN1CC[N@H+](C)CC(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030306898	0	57	0.0	-69.99	415.29	-0.94	-70.93
CN1CC[N@@H+](C)CC(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030306898	1	57	0.0	-69.99	415.29	-0.94	-70.93
CC(C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300030306899	0	56	0.0	-70.15	413.44	-1.46	-71.61
O=C(CN1CCC(CO)CC1)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030306908	0	56	0.0	-73.26	416.59	-1.76	-75.02
O=C(C[NH+]1CCC(CO)CC1)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030306908	1	56	0.0	-73.26	416.59	-1.76	-75.02
C[N@@H+]1CCCC(O)(CC(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030306917	0	56	0.0	-72.87	403.72	-1.01	-73.88
C[N@H+]1CCCC(O)(CC(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030306917	1	56	0.0	-72.87	403.72	-1.01	-73.88
CC1CN(CC(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030306920	0	49	0.0	-72.55	373.32	0.19	-72.36
CC1C[NH+](CC(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030306920	1	49	0.0	-72.55	373.32	0.19	-72.36
CN(CCO)CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030306946	0	49	0.0	-72.14	372.69	-3.12	-75.26
C[N@H+](CCO)CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030306946	1	49	0.0	-71.68	372.38	-3.12	-74.80
C[N@@H+](CCO)CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030306946	1	49	0.0	-71.68	372.38	-3.12	-74.80
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[N@@H+]2CCN1CCC2	REAL300030306968	0	55	0.0	-84.66	391.36	-1.32	-85.98
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[N@H+]2CCN1CCC2	REAL300030306968	1	55	0.0	-84.66	391.36	-1.32	-85.98
CC[N@@H+]1CCCC(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030306974	0	55	0.0	-71.77	405.54	1.35	-70.42
CC[N@H+]1CCCC(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030306974	1	55	0.0	-71.77	405.54	1.35	-70.42
CC(CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030306976	0	54	0.0	-79.96	401.45	1.41	-78.55
CC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030306986	0	48	0.0	-70.81	362.32	0.11	-70.70
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@@H+]1CCCC2	REAL300030307007	0	56	0.0	-66.39	398.45	1.47	-64.92
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@H+]1CCCC2	REAL300030307007	1	56	0.0	-66.39	398.45	1.47	-64.92
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@@H+]1CC=CC2	REAL300030307012	0	54	0.0	-66.16	393.57	1.07	-65.09
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@H+]1CC=CC2	REAL300030307012	1	54	0.0	-66.16	393.57	1.07	-65.09
CC[N@H+](CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030307032	0	52	0.0	-69.42	389.27	1.06	-68.36
CC[NH+](CC)CCC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307047	0	54	0.0	-73.45	402.27	1.34	-72.11
CC1(C)CN(CC(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030307067	0	52	0.0	-71.85	394.60	0.87	-70.98
CC1(C)C[NH+](CC(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030307067	1	52	0.0	-71.85	394.60	0.87	-70.98
CC1(O)CC[N@H+](CC(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030307091	0	53	0.0	-71.93	400.73	-2.30	-74.23
C[NH+](C)CC=CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307098	0	49	0.0	-78.08	379.27	0.28	-77.80
CC(OCC[NH+](C)C)C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307117	0	55	0.0	-74.43	419.06	1.07	-73.36
C[NH+](C)CCOCCC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307125	0	55	0.0	-74.68	420.09	-0.14	-74.82
COCCN(C)CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307126	0	52	0.0	-71.33	394.63	-0.71	-72.04
COCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307126	1	52	0.0	-72.49	394.95	-0.72	-73.21
COCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307126	1	52	0.0	-72.49	394.95	-0.72	-73.21
C[NH+](C)C1(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030307155	0	55	0.0	-65.46	392.79	1.21	-64.25
CC(CCC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030307158	0	54	0.0	-78.16	398.11	0.56	-77.60
CCN1CCC1C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307165	0	49	0.0	-69.27	369.03	0.00	-69.27
CC[N@@H+]1CCC1C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307165	1	49	0.0	-69.48	368.67	-0.45	-69.93
CC[N@H+]1CCC1C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307165	1	49	0.0	-69.48	368.67	-0.45	-69.93
CC(C)[N@@H+]1CCCC(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030307175	0	58	0.0	-70.90	422.19	1.85	-69.05
CC(C)[N@H+]1CCCC(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030307175	1	58	0.0	-70.90	422.19	1.85	-69.05
O=C(C[N@H+]1CCCC1CO)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307187	0	53	0.0	-71.09	397.28	-2.14	-73.23
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@@H+]2C1	REAL300030307209	0	56	0.0	-75.94	410.81	1.82	-74.12
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@H+]2C1	REAL300030307209	1	56	0.0	-75.94	410.81	1.82	-74.12
C[NH+]1CCC(C)(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030307215	0	55	0.0	-71.34	401.44	1.38	-69.96
C=CCC(C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030307242	0	52	0.0	-66.99	386.74	0.90	-66.09
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307252	0	55	0.0	-72.24	403.74	0.65	-71.59
C[NH+](C)CCCCCC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307255	0	57	0.0	-75.67	430.16	1.97	-73.70
CC1C[N@@H+]2CCN1C(C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030307288	0	55	0.0	-80.69	397.41	-2.07	-82.76
CCCC(C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030307289	0	54	0.0	-69.61	400.00	1.79	-67.82
C[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307293	0	51	0.0	-77.77	372.32	0.49	-77.28
C[N@@H+]1CCCCC1C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307331	0	52	0.0	-67.48	386.59	1.06	-66.42
C[N@H+]1CC=C(CC(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030307364	0	53	0.0	-67.24	402.45	1.38	-65.86
C[N@@H+]1CC=C(CC(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030307364	1	53	0.0	-67.24	402.45	1.38	-65.86
O=C(CC1([NH+]2CCCC2)CC1)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307373	0	56	0.0	-70.03	409.41	2.03	-68.00
CN(C)CC1=CC=C(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030307415	0	52	0.0	-85.05	408.71	1.10	-83.95
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030307415	1	52	0.0	-85.05	408.71	1.10	-83.95
O=C(C=CC[NH+]1CCCC1)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307431	0	53	0.0	-76.74	404.21	1.41	-75.33
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[NH+](C2CC2)CC1	REAL300030307451	0	56	0.0	-76.77	413.62	2.15	-74.62
O=C(CC[NH+]1CCCC1)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307471	0	52	0.0	-73.75	390.58	0.72	-73.03
C[N@@H+]1CC2CC1(C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030307513	0	50	0.0	-78.13	374.42	0.60	-77.53
O=C(C[N@@H+]1CC2CCC1C2)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307525	0	53	0.0	-69.22	391.06	1.40	-67.82
O=C(C[N@H+]1CC2CCC1C2)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307525	1	53	0.0	-69.22	391.06	1.40	-67.82
O=C(C=C1C[NH+]2CCC1CC2)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307562	0	54	0.0	-65.29	399.65	1.47	-63.82
O=C(CN1CC2C=CC1C2)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307572	0	51	0.0	-69.59	383.44	1.25	-68.34
O=C(C[N@@H+]1CC2C=CC1C2)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307572	1	51	0.0	-68.02	383.63	0.77	-67.25
O=C(C[N@H+]1CC2C=CC1C2)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307572	1	51	0.0	-68.02	383.63	0.77	-67.25
CC(C[NH+](C)C)C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307617	0	51	0.0	-73.77	381.72	0.34	-73.43
C[N@@H+]1CCCCC1CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307682	0	55	0.0	-76.96	402.40	1.26	-75.70
C[N@H+]1CCCCC1CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307682	1	55	0.0	-76.96	402.40	1.26	-75.70
CC1=C2C=C(C(=O)N[C@H]3CC[C@@H](O)CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=N1	REAL300030307698	0	50	0.0	-79.51	395.66	3.14	-76.37
CC1=C2C=C(C(=O)N[C@H]3CC[C@@H](O)CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030307698	1	50	0.0	-79.51	395.66	3.14	-76.37
CC(C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)N1CC(C)C1	REAL300030307699	0	52	0.0	-69.21	390.84	0.78	-68.43
CC(C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300030307699	1	52	0.0	-69.21	390.84	0.78	-68.43
CC1CCN1CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307702	0	49	0.0	-69.56	369.01	-0.12	-69.68
CC1CC[N@@H+]1CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307702	1	49	0.0	-68.82	370.51	0.20	-68.62
CC1CC[N@H+]1CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307702	1	49	0.0	-68.82	370.51	0.20	-68.62
C[NH+](C)CC(O)CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307705	0	52	0.0	-79.62	396.69	-1.67	-81.29
CC1CN(C)CC(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030307731	0	53	0.0	-88.31	394.65	-0.18	-88.49
CC1C[N@H+](C)CC(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030307731	1	53	0.0	-89.77	394.54	-0.18	-89.95
CC1C[N@@H+](C)CC(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030307731	1	53	0.0	-89.77	394.54	-0.18	-89.95
O=C(CC[NH+]1CCC(O)CC1)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307740	0	56	0.0	-76.65	419.32	-1.64	-78.29
CCC[N@@H+]1CCCCC1C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307742	0	58	0.0	-67.98	425.44	2.26	-65.72
CCC[N@H+]1CCCCC1C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307742	1	58	0.0	-67.98	425.44	2.26	-65.72
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030307806	0	52	0.0	-74.57	393.89	1.01	-73.56
CC(CC[NH+](C)C)C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307814	0	54	0.0	-74.15	404.57	0.78	-73.37
C[N@H+](CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300030307834	0	56	0.0	-69.86	415.51	-1.89	-71.75
C#CCN1CCCCC1C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307840	0	54	0.0	-68.69	402.53	2.06	-66.63
C#CC[N@H+]1CCCCC1C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307840	1	54	0.0	-69.91	411.94	1.61	-68.30
C#CC[N@@H+]1CCCCC1C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307840	1	54	0.0	-69.91	411.94	1.61	-68.30
CN1CCN(CC(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030307843	0	54	0.0	-73.13	403.64	-1.05	-74.18
C[NH+]1CCN(CC(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030307843	1	54	0.0	-73.13	403.64	-1.05	-74.18
CC[NH+]1CCN(CC(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030307852	0	57	0.0	-70.02	421.98	-0.96	-70.98
NC(=[NH2+])SCC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307875	0	43	0.0	-75.70	352.54	-3.60	-79.30
CC[N@@H+]1CCOCC1CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307908	0	56	0.0	-73.90	406.69	-0.58	-74.48
C[NH+](C)C1CCC(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030307923	0	58	0.0	-67.74	416.95	2.13	-65.61
C[NH+](C)CCC1(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030307924	0	55	0.0	-74.25	419.28	1.63	-72.62
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030307926	0	58	0.0	-65.37	415.54	1.76	-63.61
C[N@@H+]1CC=CCC1CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307927	0	53	0.0	-77.63	394.81	1.34	-76.29
C[N@H+]1CC=CCC1CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307927	1	53	0.0	-77.63	394.81	1.34	-76.29
C[C@@H](OCC[NH+](C)C)C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307948	0	55	0.0	-69.76	419.78	1.06	-68.70
C[NH+]1C2CCC1CC(C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030307973	0	56	0.0	-74.45	404.71	1.11	-73.34
CC(C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300030308071	1	53	0.0	-72.83	398.89	0.79	-72.04
CCC1C[NH+](CC(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030308073	1	52	0.0	-72.14	396.83	1.16	-70.98
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1([NH+]2CCCC2)CCC1	REAL300030308075	0	56	0.0	-66.15	406.27	2.11	-64.04
C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030308082	1	49	0.0	-72.74	364.59	-0.58	-73.32
O=C(CC[N@H+]1CCC(F)C1)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030308089	1	52	0.0	-79.16	398.39	1.10	-78.06
COC1C[N@@H+](C)C(C)(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030308097	1	56	0.0	-77.96	410.95	0.12	-77.84
O=C(CC[NH+]1CCCCCC1)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030308105	0	58	0.0	-75.85	417.29	1.69	-74.16
O=C(C[NH+]1CCCCC1)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030308107	0	52	0.0	-71.07	386.78	1.31	-69.76
CC1C(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030308117	0	52	0.0	-72.00	385.40	0.48	-71.52
CC1C(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030308117	1	52	0.0	-74.70	382.02	0.19	-74.51
C[N@@H+]1CCCCC1CCC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030308119	0	58	0.0	-78.17	418.19	2.01	-76.16
C[N@H+]1CCCCC1CCC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030308119	1	58	0.0	-70.74	425.79	1.77	-68.97
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+]2CCOCC12	REAL300030308141	0	54	0.0	-77.69	403.64	-0.84	-78.53
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+]2CCOCC12	REAL300030308141	1	54	0.0	-70.01	398.31	-0.59	-70.60
CC1=[NH+]C=C2C=CC(C(=O)N[C@H]3CC[C@@H](O)CN(C(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300030308146	0	50	0.0	-71.46	396.12	2.18	-69.28
CN1CCOCC1CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030308159	0	53	0.0	-65.74	387.30	-1.04	-66.78
C[N@@H+]1CCOCC1CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030308159	1	53	0.0	-67.85	386.46	-1.27	-69.12
C[N@H+]1CCOCC1CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030308159	1	53	0.0	-65.74	387.30	-1.04	-66.78
CC1=C(C)[NH+]=C(CCC(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030308166	1	53	0.0	-68.76	414.45	0.57	-68.19
C[N@H+]1CCCC1C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030308336	1	49	0.0	-73.87	368.93	0.34	-73.53
CN1CCOC(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030308362	0	50	0.0	-93.78	379.57	-0.27	-94.05
C[N@@H+]1CCOC(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030308362	1	50	0.0	-55.11	372.02	-0.85	-55.96
C[N@H+]1CCOC(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030308362	1	50	0.0	-93.78	379.57	-0.27	-94.05
CC1=[NH+]C=CN1CCCC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030308521	1	53	0.0	-74.17	420.13	1.98	-72.19
O=C(CC[NH+]1CCOCC1)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030308525	1	53	0.0	-81.38	404.39	-0.91	-82.29
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C23CCC[NH+]2CCC3)C1)C1=CC(=O)[N-]O1	REAL300030308548	0	53	0.0	-71.93	380.50	0.73	-71.20
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1)C1=CC(=O)[N-]O1	REAL300030308556	1	47	0.0	-84.26	382.41	2.91	-81.35
C[NH+](C)C1CCCC(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030308606	0	58	0.0	-78.73	425.16	2.22	-76.51
C[N@@H+]1CCC(CC(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030308609	0	52	0.0	-79.01	395.82	0.66	-78.35
C[N@H+]1CCC(CC(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030308609	1	52	0.0	-81.72	393.65	1.22	-80.50
CN(C)C1=CC=[NH+]C=C1C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030308620	0	51	0.0	-51.83	389.18	-0.23	-52.06
CCC(C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030308625	0	51	0.0	-66.04	379.26	0.08	-65.96
C[NH+](C)CCCCC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030308679	0	54	0.0	-81.39	412.55	1.75	-79.64
CC(C)C(C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030308700	0	54	0.0	-72.68	393.65	0.54	-72.14
CCC[N@H+](C)CCC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030308702	0	54	0.0	-80.11	408.78	1.55	-78.56
CCC[N@@H+](C)CCC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030308702	1	54	0.0	-80.08	408.78	1.57	-78.51
CCC[N@H+](C)CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030308707	0	51	0.0	-75.80	386.46	0.98	-74.82
CCC[N@@H+](C)CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030308707	1	51	0.0	-75.72	386.45	0.97	-74.75
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C23CC[N@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300030308728	0	53	0.0	-79.94	379.88	0.40	-79.54
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C23CC[N@@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300030308728	1	53	0.0	-66.56	383.89	-0.06	-66.62
CCCCCC[N@H+](C)CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030308753	0	60	0.0	-77.06	450.96	3.31	-73.75
CCCCCC[N@@H+](C)CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030308753	1	60	0.0	-77.05	450.87	3.29	-73.76
CC[NH+](CC)C(C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300030308757	0	60	0.0	-69.36	424.28	1.63	-67.73
CC1CC[NH+](CC(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030308787	0	55	0.0	-76.99	409.72	2.00	-74.99
C[NH+]1CCC(OCC(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030308812	0	56	0.0	-84.51	429.05	1.19	-83.32
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030308851	0	56	0.0	-56.75	415.44	1.66	-55.09
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030308851	1	56	0.0	-55.43	415.19	1.70	-53.73
C[NH+](C)CC1(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030308861	0	52	0.0	-70.86	389.67	0.64	-70.22
CC(C)[NH+]1CCC(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030308872	0	58	0.0	-81.84	417.70	1.85	-79.99
CC[N@H+](C)CCC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030308892	0	51	0.0	-78.57	389.21	0.32	-78.25
CC[N@@H+](C)CCC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030308892	1	51	0.0	-78.57	389.21	0.32	-78.25
CC(C)(C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300030308914	0	58	0.0	-52.51	392.03	1.81	-50.70
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2C[NH+]3CCC2CC3)C1)C1=CC(=O)[N-]O1	REAL300030308922	0	53	0.0	-74.43	387.22	0.54	-73.89
C[NH+]1CCC(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030308992	0	52	0.0	-60.05	391.60	0.51	-59.54
CC(C)[C@H](C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030309010	0	54	0.0	-72.93	393.09	0.56	-72.37
CC[NH+](CC)CC(F)C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030309094	0	54	0.0	-77.03	405.76	0.67	-76.36
CC(C)C[N@@H+]1CCC(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030309123	0	58	0.0	-78.00	428.82	2.35	-75.65
CC(C)C[N@H+]1CCC(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030309123	1	58	0.0	-77.21	427.87	2.36	-74.85
C[NH+](C)C1(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300030309126	0	52	0.0	-83.77	372.81	0.72	-83.05
CCC(C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030309156	0	57	0.0	-74.92	407.60	1.39	-73.53
CC1CCC[N@@H+]1CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030309175	0	52	0.0	-71.95	385.86	0.92	-71.03
CC1CCC[N@H+]1CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030309175	1	52	0.0	-72.94	394.47	0.83	-72.11
CC(C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300030309225	0	58	0.0	-79.57	410.83	2.06	-77.51
CC(C)[N@@H+]1CCCCC1C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030309227	0	58	0.0	-70.40	414.06	1.48	-68.92
CC(C)[N@H+]1CCCCC1C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030309227	1	58	0.0	-69.32	418.34	1.42	-67.90
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030309247	0	55	0.0	-71.65	391.28	0.64	-71.01
CC(C)[N@H+]1CCCC1C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030309247	1	55	0.0	-73.09	402.13	1.44	-71.65
CC(C)[N@@H+]1CCCC1CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030309253	0	58	0.0	-75.36	428.37	1.75	-73.61
CC(C)[N@H+]1CCCC1CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030309253	1	58	0.0	-66.90	418.97	1.14	-65.76
CC(C)[C@@H](C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030309265	0	54	0.0	-65.00	392.05	0.60	-64.40
CC1CC[N@H+](CC(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030309284	0	52	0.0	-75.26	393.34	1.26	-74.00
CC1CC[N@@H+](CC(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030309284	1	52	0.0	-74.32	394.43	0.72	-73.60
CC1(C)CC[N@H+](CC(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030309288	0	55	0.0	-75.60	412.44	1.77	-73.83
CC1(C)CC[N@@H+](CC(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030309288	1	55	0.0	-74.93	414.57	1.26	-73.67
C[N@H+](CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030309289	0	57	0.0	-75.72	416.86	2.04	-73.68
C[N@@H+](CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030309289	1	57	0.0	-75.60	418.89	1.60	-74.00
CC[C@@H](C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030309297	0	51	0.0	-72.72	368.79	-0.11	-72.83
CC1=[NH+]C=CN1CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030309473	1	47	0.0	-71.92	375.53	1.11	-70.81
CC(C[NH+]1CCOCC1)C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030309474	0	56	0.0	-55.14	417.36	-0.40	-55.54
O=C(CCC[NH+]1CCCCC1)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030309489	0	58	0.0	-77.95	434.62	2.31	-75.64
C[NH+](C)CC1=CC(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300030309503	1	51	0.0	-81.42	402.41	0.75	-80.67
CC1=C(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300030309504	0	50	0.0	-80.57	400.86	2.57	-78.00
CC(C)C1=[NH+]C=CN1CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030309535	1	53	0.0	-70.79	413.02	2.27	-68.52
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2CCCC3CCC[N@@H+]32)C1)C1=CC(=O)[N-]O1	REAL300030309566	0	56	0.0	-64.11	402.63	1.06	-63.05
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2CCCC3CCC[N@H+]32)C1)C1=CC(=O)[N-]O1	REAL300030309566	1	56	0.0	-72.73	399.33	1.61	-71.12
CC[N@@H+]1CCOC(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030309581	1	53	0.0	-61.49	400.90	-0.06	-61.55
CC[N@H+]1CCOC(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030309581	1	53	0.0	-89.45	400.89	-0.03	-89.48
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300030309630	0	47	0.0	-78.20	374.17	2.34	-75.86
CC1=C[NH+]=CN1CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030309635	1	47	0.0	-74.85	378.87	1.38	-73.47
C[C@@H]1[C@H](C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030309648	0	52	0.0	-79.59	384.91	0.22	-79.37
C[C@@H]1[C@H](C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030309648	1	52	0.0	-82.24	390.13	0.29	-81.95
CC[C@@H]1[C@@H](C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030309652	0	55	0.0	-81.26	400.00	1.06	-80.20
CC[C@@H]1[C@@H](C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030309652	1	55	0.0	-81.23	406.11	1.47	-79.76
CC1CCC(C)[NH+]1CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030309663	0	55	0.0	-72.89	404.29	1.54	-71.35
O=C(CCC[NH+]1CCCC1)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030309669	0	55	0.0	-77.56	417.91	1.56	-76.00
C#CC[NH+]1CCC(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030309675	0	54	0.0	-61.44	415.26	1.60	-59.84
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CC[N@@H+]1CCCCC1C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030309682	0	55	0.0	-73.51	404.02	1.67	-71.84
CC[N@H+]1CCCCC1C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030309682	1	55	0.0	-74.64	391.87	1.16	-73.48
C[NH+](C)C1(CC(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030309719	0	58	0.0	-81.82	413.01	1.53	-80.29
C[N@H+](CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030309850	0	52	0.0	-72.38	395.24	1.03	-71.35
C[N@@H+](CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030309850	1	52	0.0	-73.25	395.36	1.02	-72.23
CC(C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300030309872	0	58	0.0	-70.45	415.74	1.79	-68.66
O=C(CCCC[NH+]1CCCC1)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030309884	0	58	0.0	-79.78	438.52	2.92	-76.86
C[NH+]1CCC(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030309895	0	52	0.0	-60.05	391.60	0.51	-59.54
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030309932	0	49	0.0	-75.87	365.28	0.00	-75.87
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030309932	1	49	0.0	-73.78	367.95	0.30	-73.48
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030309954	1	51	0.0	-74.61	394.24	0.77	-73.84
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030309954	1	51	0.0	-76.57	398.21	1.70	-74.87
C[N@@H+]1CCCC1CCC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030309959	0	55	0.0	-75.29	411.04	1.12	-74.17
C[N@H+]1CCCC1CCC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030309959	1	55	0.0	-83.92	410.74	1.96	-81.96
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C23CCC[NH+](CCC2)C3)C1)C1=CC(=O)[N-]O1	REAL300030309968	0	56	0.0	-68.12	396.78	0.62	-67.50
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2CCC3CCCC[N@@H+]32)C1)C1=CC(=O)[N-]O1	REAL300030309971	0	56	0.0	-72.15	411.37	2.29	-69.86
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2CCC3CCCC[N@H+]32)C1)C1=CC(=O)[N-]O1	REAL300030309971	1	56	0.0	-71.73	403.11	1.92	-69.81
CCC[N@@H+]1CCCC(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030310035	0	58	0.0	-58.30	422.85	1.75	-56.55
CCC[N@H+]1CCCC(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030310035	1	58	0.0	-68.29	420.07	2.46	-65.83
CC(C)[N@@H+]1CCOC(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030310050	1	56	0.0	-76.55	409.79	0.28	-76.27
CC(C)[N@H+]1CCOC(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030310050	1	56	0.0	-61.18	410.12	0.26	-60.92
C[N@@H+]1CCCCC1C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030310072	0	52	0.0	-74.49	386.38	1.04	-73.45
C[N@H+]1CCCCC1C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030310072	1	52	0.0	-71.39	385.97	1.06	-70.33
CC(C)C[N@@H+]1CCCC1C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030310093	0	58	0.0	-63.63	431.99	2.01	-61.62
CC(C)C[N@H+]1CCCC1C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030310093	1	58	0.0	-66.88	432.30	2.03	-64.85
O=C(C[NH+]1CCC(CO)CC1)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030310107	1	56	0.0	-76.66	422.55	-1.80	-78.46
CC1C(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030310148	0	52	0.0	-85.35	382.92	0.74	-84.61
CC1C(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030310148	1	52	0.0	-81.88	390.65	0.23	-81.65
C[N@@H+]1CCCCC1CCC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030310150	0	58	0.0	-83.70	421.15	2.35	-81.35
C[N@H+]1CCCCC1CCC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030310150	1	58	0.0	-75.57	428.48	2.50	-73.07
CC(C)(C)[N@@H+]1CCC1C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030310232	0	55	0.0	-73.23	405.87	0.81	-72.42
CC(C)(C)[N@H+]1CCC1C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030310232	1	55	0.0	-75.16	407.65	1.22	-73.94
C[C@@H](C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030310250	0	48	0.0	-73.45	361.03	-0.70	-74.15
C=CCC(C)(C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030310264	0	55	0.0	-69.24	390.08	0.92	-68.32
O=C(CC[NH+]1CCCC1)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030310285	0	52	0.0	-78.04	396.45	0.75	-77.29
C[N@H+](CCO)CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030310295	1	49	0.0	-76.85	375.30	-3.01	-79.86
C[N@@H+](CCO)CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030310295	1	49	0.0	-75.65	376.98	-3.52	-79.17
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2C[N@@H+]3CCN2CCC3)C1)C1=CC(=O)[N-]O1	REAL300030310330	0	55	0.0	-91.65	389.99	-1.11	-92.76
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2C[N@H+]3CCN2CCC3)C1)C1=CC(=O)[N-]O1	REAL300030310330	1	55	0.0	-86.11	394.60	-1.80	-87.91
CC(C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300030310350	1	53	0.0	-75.86	402.51	1.43	-74.43
C[N@H+]1CC=C(CC(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030310381	0	53	0.0	-73.88	406.30	1.89	-71.99
C[N@@H+]1CC=C(CC(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030310381	1	53	0.0	-70.90	408.24	1.42	-69.48
C[S+](C)CCC(O)C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030310395	0	51	0.0	-85.09	410.67	-1.49	-86.58
C[N@@H+]1CC(O)CC1(C)C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030310413	0	53	0.0	-76.14	382.26	-3.23	-79.37
C[N@H+]1CC(O)CC1(C)C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030310413	1	53	0.0	-64.75	379.20	-3.04	-67.79
CN1CC[N@H+](C)CC(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030310423	0	57	0.0	-72.94	412.70	-0.59	-73.53
CN1CC[N@@H+](C)CC(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030310423	1	57	0.0	-62.40	411.93	-1.40	-63.80
CC(C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300030310424	0	56	0.0	-75.69	413.06	-1.43	-77.12
CC(C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300030310424	1	56	0.0	-75.97	411.50	-1.47	-77.44
C[N@@H+]1CCCC(O)(CC(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030310453	0	56	0.0	-76.13	416.60	-0.50	-76.63
C[N@H+]1CCCC(O)(CC(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030310453	1	56	0.0	-68.04	419.43	-0.61	-68.65
CC1C[NH+](CC(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030310457	1	49	0.0	-77.26	377.30	0.68	-76.58
CC[N@@H+]1CCCC(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030310463	0	55	0.0	-55.24	401.47	1.27	-53.97
CC[N@H+]1CCCC(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030310463	1	55	0.0	-67.93	398.51	1.69	-66.24
NC1=[NH+]C=CC=C1CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030310469	0	48	0.0	-69.05	383.39	-1.11	-70.16
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2CCC[N@@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300030310479	0	53	0.0	-65.00	405.15	1.35	-63.65
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2CCC[N@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300030310479	1	53	0.0	-73.78	385.73	1.08	-72.70
O=C(C=CC[NH+]1CCCC1)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030310515	0	53	0.0	-54.67	404.24	1.90	-52.77
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2CC[NH+](C3CC3)CC2)C1)C1=CC(=O)[N-]O1	REAL300030310535	0	56	0.0	-57.65	416.45	1.70	-55.95
CC[N@H+](C)CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030310576	0	48	0.0	-75.56	364.96	0.23	-75.33
O=C(CN1CC2C=CC1C2)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030310622	0	51	0.0	-71.04	386.61	1.38	-69.66
O=C(C[N@@H+]1CC2C=CC1C2)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030310622	1	51	0.0	-71.48	388.10	0.92	-70.56
O=C(C[N@H+]1CC2C=CC1C2)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030310622	1	51	0.0	-71.48	388.10	0.92	-70.56
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C23CCC[N@@H+]2CCCC3)C1)C1=CC(=O)[N-]O1	REAL300030310737	0	56	0.0	-71.92	388.49	0.89	-71.03
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C23CCC[N@H+]2CCCC3)C1)C1=CC(=O)[N-]O1	REAL300030310737	1	56	0.0	-71.92	388.49	0.89	-71.03
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C23CCC[N@@H+]2CC=CC3)C1)C1=CC(=O)[N-]O1	REAL300030310744	0	54	0.0	-70.85	384.93	0.96	-69.89
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C23CCC[N@H+]2CC=CC3)C1)C1=CC(=O)[N-]O1	REAL300030310744	1	54	0.0	-70.85	384.93	0.96	-69.89
CC(OCC[NH+](C)C)C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030310753	0	55	0.0	-73.27	418.02	1.09	-72.18
C[NH+](C)CCOCCC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030310762	0	55	0.0	-78.05	425.88	-0.10	-78.15
COCCN(C)CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030310764	0	52	0.0	-75.27	399.23	-1.12	-76.39
COCC[N@H+](C)CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030310764	1	52	0.0	-77.36	397.55	-0.61	-77.97
COCC[N@@H+](C)CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030310764	1	52	0.0	-77.36	397.55	-0.61	-77.97
CC(CCC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030310769	0	54	0.0	-84.42	400.83	1.32	-83.10
CC[N@H+](CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030310792	0	52	0.0	-72.52	395.59	1.04	-71.48
CC1C[N@@H+]2CCN1C(C(=O)N1C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030310807	0	55	0.0	-63.83	398.68	-2.29	-66.12
C[N@@H+]1CC2CC1(C(=O)N1C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030310829	0	50	0.0	-83.01	373.05	0.65	-82.36
O=C(C[N@@H+]1CC2CCC1C2)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030310843	0	53	0.0	-74.21	393.74	1.67	-72.54
CC(C[NH+](C)C)C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030310862	0	51	0.0	-79.03	381.09	0.55	-78.48
C[NH+](C)C1(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030310877	0	49	0.0	-78.25	363.29	-0.24	-78.49
C[C@H](C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030310901	0	48	0.0	-73.65	361.62	-0.17	-73.82
CC[N@@H+]1CCC1C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030310908	1	49	0.0	-77.55	377.08	0.42	-77.13
CC[N@H+]1CCC1C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030310908	1	49	0.0	-76.76	379.14	-0.10	-76.86
CC(C)[N@@H+]1CCCC(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030310920	0	58	0.0	-67.02	413.98	2.31	-64.71
CC(C)[N@H+]1CCCC(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030310920	1	58	0.0	-67.99	415.19	2.23	-65.76
CCC(C)(C)[NH2+]C(C)C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030310933	0	57	0.0	-70.98	408.47	-0.14	-71.12
CNC1=[NH+]C(C)=CC=C1C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030310973	1	51	0.0	-70.84	399.02	0.14	-70.70
NC1=CC=[NH+]C=C1C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030310974	0	45	0.0	-75.04	353.11	-3.01	-78.05
CCCC(C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030310983	0	54	0.0	-74.44	399.67	0.80	-73.64
C[NH+](C)C(C)(C)C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030310990	0	51	0.0	-54.26	354.78	0.11	-54.15
CC(CC[NH+](C)C)C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030311008	0	54	0.0	-62.58	404.64	0.81	-61.77
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1)C1=CC(=O)[N-]O1	REAL300030311069	0	54	0.0	-75.62	402.80	1.79	-73.83
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1)C1=CC(=O)[N-]O1	REAL300030311069	1	54	0.0	-71.02	385.88	1.81	-69.21
C[N@@H+]1CC(C)(C)CC1C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030311098	0	55	0.0	-74.08	411.92	1.56	-72.52
C[N@H+]1CC(C)(C)CC1C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030311098	1	55	0.0	-75.01	406.47	0.73	-74.28
C[NH+](C)CCCCCC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030311101	0	57	0.0	-80.41	434.05	2.53	-77.88
O=C(CC[NH+]1CCC(O)CC1)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030311105	0	56	0.0	-80.61	424.22	-1.83	-82.44
CCC[N@@H+]1CCCCC1C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030311109	0	58	0.0	-62.17	427.78	1.89	-60.28
CCC[N@H+]1CCCCC1C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030311109	1	58	0.0	-71.89	425.44	2.46	-69.43
C[NH+]1CCN(CC(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030311118	1	54	0.0	-76.55	406.20	-0.95	-77.50
CC1C[N@H+](C)CC(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030311204	1	53	0.0	-94.74	400.79	0.47	-94.27
CC1C[N@@H+](C)CC(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030311204	1	53	0.0	-95.44	393.54	0.05	-95.39
CCC1CCC[N@H+](CC(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030311236	0	58	0.0	-73.15	420.77	2.21	-70.94
CCC1CCC[N@@H+](CC(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030311236	1	58	0.0	-75.70	430.14	2.15	-73.55
C[NH+](C)CC1=CC=C(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030311244	0	53	0.0	-89.67	404.19	1.30	-88.37
O=C(C[NH+]1CC2CC2C1)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030311257	0	50	0.0	-75.58	384.46	0.90	-74.68
O=C(CC1([NH+]2CCCC2)CC1)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030311269	0	56	0.0	-73.59	414.26	1.83	-71.76
C[N@@H+]1CCCCC1C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030311304	0	52	0.0	-74.49	386.38	1.04	-73.45
C[N@H+]1CCCCC1C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030311304	1	52	0.0	-71.39	385.97	1.06	-70.33
C[N@@H+]1CCC(=CC(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030311410	0	50	0.0	-60.11	381.35	1.13	-58.98
C[N@H+]1CCC(=CC(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030311410	1	50	0.0	-59.48	379.92	1.09	-58.39
O=C(CNC1=CC=[NH+]C=C1)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030311415	0	48	0.0	-77.75	384.83	-1.68	-79.43
CC[NH+]1CCN(CC(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030311468	0	57	0.0	-75.50	423.94	-0.27	-75.77
O=C(C=C1C[NH+]2CCC1CC2)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030311471	0	54	0.0	-68.40	404.48	1.43	-66.97
C[NH+](C)C1(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030311505	0	55	0.0	-79.41	379.96	0.27	-79.14
C[N@H+](CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300030311516	0	56	0.0	-69.40	420.33	-1.68	-71.08
C[N@@H+](CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300030311516	1	56	0.0	-72.46	419.89	-1.58	-74.04
CCC1C[NH+](CC(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030311520	1	52	0.0	-76.77	401.75	0.88	-75.89
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2([NH+]3CCCC3)CCC2)C1)C1=CC(=O)[N-]O1	REAL300030311523	0	56	0.0	-76.48	394.87	1.72	-74.76
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030311535	0	49	0.0	-65.64	373.87	-0.10	-65.74
C[N@H+]1CCC[C@H]1C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030311535	1	49	0.0	-78.44	367.74	-0.46	-78.90
CC[N@@H+]1CCOCC1CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030311561	0	56	0.0	-79.09	410.92	-0.08	-79.17
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030311672	0	52	0.0	-76.72	394.77	0.67	-76.05
C[NH+](C)C1CCC(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030311686	0	58	0.0	-64.44	418.15	1.45	-62.99
C[NH+](C)CCC1(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030311687	0	55	0.0	-71.78	414.53	1.36	-70.42
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030311689	0	58	0.0	-62.78	418.04	1.47	-61.31
C[N@@H+]1CC=CCC1CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030311690	0	53	0.0	-67.27	393.42	1.57	-65.70
C[N@H+]1CC=CCC1CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030311690	1	53	0.0	-67.27	393.42	1.57	-65.70
C[NH+](C)CCOCC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030311744	0	52	0.0	-74.86	404.99	0.16	-74.70
CCCCC[N@H+](C)CCC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030311749	0	60	0.0	-80.89	451.78	3.13	-77.76
CCCCC[N@@H+](C)CCC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030311749	1	60	0.0	-80.89	451.78	3.13	-77.76
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030311760	0	56	0.0	-76.47	424.90	0.89	-75.58
[NH2+]=C1SC=CN1CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030311783	0	45	0.0	-71.42	374.33	-0.29	-71.71
C[C@@H](OCC[NH+](C)C)C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030311850	0	55	0.0	-73.27	417.95	1.06	-72.21
O=C(CC[NH+]1CCCCCC1)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030311885	0	58	0.0	-79.05	421.61	2.56	-76.49
C[N@@H+]1CCCC(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030311890	0	52	0.0	-67.73	380.94	1.05	-66.68
C[N@H+]1CCCC(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030311890	1	52	0.0	-67.73	380.94	1.05	-66.68
O=C(CN1CCC(CO)CC1)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030311891	0	56	0.0	-76.66	422.55	-1.80	-78.46
O=C(C[NH+]1CCC(CO)CC1)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030311891	1	56	0.0	-76.66	422.55	-1.80	-78.46
O=C(C[NH+]1CCCCCC1)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030311892	0	55	0.0	-73.86	400.11	1.09	-72.77
CN1C=C[N+](CC(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030311897	0	47	0.0	-72.93	380.34	2.55	-70.38
CN(C)CC1=CC=C(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030311912	0	52	0.0	-86.54	407.79	0.86	-85.68
C[NH+](C)CC1=CC=C(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030311912	1	52	0.0	-86.54	407.79	0.86	-85.68
O=C(CN1CCC(O)CC1)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030311928	0	53	0.0	-80.88	401.97	-2.45	-83.33
O=C(C[NH+]1CCC(O)CC1)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030311928	1	53	0.0	-80.88	401.97	-2.45	-83.33
C[N@H+](CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030311932	0	49	0.0	-72.75	378.56	0.44	-72.31
CC(C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)N1CCN(C)CC1	REAL300030311934	0	57	0.0	-77.49	421.04	-0.62	-78.11
CC(C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300030311934	1	57	0.0	-77.49	421.04	-0.62	-78.11
O=C(CC[N@@H+]1CCC(F)C1)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030311936	0	52	0.0	-84.66	401.31	1.38	-83.28
COC1C[N@H+](C)C(C)(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030311945	0	56	0.0	-79.62	398.36	-0.77	-80.39
CC(CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030311962	0	54	0.0	-79.86	404.32	1.56	-78.30
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2CC[N@@H+]3CCOCC23)C1)C1=CC(=O)[N-]O1	REAL300030311974	0	54	0.0	-75.24	396.36	-0.34	-75.58
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2CC[N@H+]3CCOCC23)C1)C1=CC(=O)[N-]O1	REAL300030311974	1	54	0.0	-75.24	396.36	-0.34	-75.58
CN1CCOCC1CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030311992	0	53	0.0	-85.91	397.87	-0.57	-86.48
C[N@@H+]1CCOCC1CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030311992	1	53	0.0	-69.81	390.26	-0.75	-70.56
C[N@H+]1CCOCC1CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030311992	1	53	0.0	-69.81	390.26	-0.75	-70.56
CC1=CC(N)=NC=C1C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030312052	0	48	0.0	-76.13	373.23	-1.62	-77.75
CC1=CC(N)=[NH+]C=C1C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030312052	1	48	0.0	-76.13	373.23	-1.62	-77.75
CC1(O)CC[N@H+](CC(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030312092	0	53	0.0	-76.26	405.32	-2.57	-78.83
C[NH+]1CC(CC(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030312124	0	49	0.0	-76.86	380.46	-0.08	-76.94
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2CC[N@@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300030312128	0	56	0.0	-77.49	415.16	1.88	-75.61
C[N@H+](CCO)CCC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030312164	0	52	0.0	-78.10	397.59	-2.40	-80.50
C[N@@H+](CCO)CCC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030312164	1	52	0.0	-78.10	397.59	-2.40	-80.50
C[N@@H+]1CCCCC1CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030312183	0	55	0.0	-81.18	408.39	1.26	-79.92
C[N@H+]1CCCCC1CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030312183	1	55	0.0	-81.18	408.39	1.26	-79.92
CC1=C2C=C(C(=O)N3C[C@H](O)CC[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=N1	REAL300030312202	0	50	0.0	-80.18	396.55	2.91	-77.27
CC1=C2C=C(C(=O)N3C[C@H](O)CC[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030312202	1	50	0.0	-80.18	396.55	2.91	-77.27
CC(C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)N1CC(C)C1	REAL300030312203	0	52	0.0	-53.45	394.16	0.48	-52.97
CC(C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300030312203	1	52	0.0	-53.45	394.16	0.48	-52.97
CC1CCN1CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030312207	0	49	0.0	-74.22	380.42	0.12	-74.10
CC1CC[N@@H+]1CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030312207	1	49	0.0	-74.71	380.45	0.10	-74.61
CC1CC[N@H+]1CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030312207	1	49	0.0	-74.71	380.45	0.10	-74.61
C[NH+](C)CC=CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030312218	0	49	0.0	-82.03	385.57	0.31	-81.72
CC1=C(C)NC(CCC(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030312245	0	53	0.0	-71.55	419.37	0.36	-71.19
CC1=C(C)[NH+]=C(CCC(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030312245	1	53	0.0	-71.55	419.37	0.36	-71.19
CC1=C2C=C(C(=O)N3C[C@H](O)CC[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=N1	REAL300030312256	0	50	0.0	-80.18	396.55	2.91	-77.27
CC1=C2C=C(C(=O)N3C[C@H](O)CC[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030312256	1	50	0.0	-80.18	396.55	2.91	-77.27
C[NH+](C)CCSCC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030312265	0	52	0.0	-83.67	416.02	1.05	-82.62
O=C(C[N@H+]1CCCC1CO)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030312290	0	53	0.0	-76.03	400.28	-1.90	-77.93
CC[NH+](CC)CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030312294	0	51	0.0	-74.15	383.04	0.87	-73.28
C[N@H+](CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300030312304	0	53	0.0	-82.36	408.49	1.26	-81.10
CC[NH+](CC)CCC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030312350	0	54	0.0	-78.79	400.80	1.25	-77.54
CC(C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)N1CCC(O)CC1	REAL300030312427	0	56	0.0	-75.39	405.92	-1.93	-77.32
CC(C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300030312427	1	56	0.0	-75.39	405.92	-1.93	-77.32
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2CC3COCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030312432	0	54	0.0	-58.08	406.31	-0.68	-58.76
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2CC3COCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030312432	1	54	0.0	-58.08	406.31	-0.68	-58.76
CC(C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)N1CCC1	REAL300030312444	0	49	0.0	-55.66	368.07	-0.45	-56.11
CC(C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030312444	1	49	0.0	-55.66	368.07	-0.45	-56.11
CCC(CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030312449	0	57	0.0	-86.20	424.06	1.70	-84.50
C[NH+](C)CC(C)(C)C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030312457	0	54	0.0	-68.12	389.09	0.03	-68.09
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030312513	0	52	0.0	-71.38	386.10	1.06	-70.32
CC1CN2CC[N@@H+]1CC2C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030312527	0	55	0.0	-85.47	397.31	-2.41	-87.88
C[NH+](C)CC(O)CC(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030312548	0	52	0.0	-82.76	401.71	-1.89	-84.65
C[NH+]1C2CCC1CC(C(=O)N1C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030312550	0	56	0.0	-54.43	398.82	0.98	-53.45
C=CCC(C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030312581	0	52	0.0	-75.91	391.47	1.11	-74.80
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030312589	0	56	0.0	-55.43	415.19	1.70	-53.73
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030312589	1	56	0.0	-55.43	415.19	1.70	-53.73
C[NH+]1CCC(C)(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030312600	0	55	0.0	-72.47	391.48	0.93	-71.54
C[NH+]1CCC(O)(CC(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030312602	0	56	0.0	-79.38	417.50	-0.14	-79.52
CC1=C2C=C(C(=O)N[C@H]3CC[C@@H](O)CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=N1	REAL300030312674	0	50	0.0	-79.51	395.66	3.14	-76.37
CC1=C2C=C(C(=O)N[C@H]3CC[C@@H](O)CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030312674	1	50	0.0	-79.51	395.66	3.14	-76.37
C[NH+](C)CCSCC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030312683	0	52	0.0	-81.44	411.52	1.38	-80.06
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2COCC[N@@H+]2C1	REAL300030312690	0	54	0.0	-70.83	401.76	-0.59	-71.42
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2COCC[N@H+]2C1	REAL300030312690	1	54	0.0	-70.83	401.76	-0.59	-71.42
C[N@@H+]1CCCC1C(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030312853	1	47	0.0	-68.99	380.68	3.43	-65.56
C[N@H+]1CCCC1C(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030312853	1	47	0.0	-73.97	381.45	3.56	-70.41
C[N@@H+]1CCOC(C(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030312877	1	48	0.0	-82.54	392.32	2.92	-79.62
C[N@H+]1CCOC(C(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030312877	1	48	0.0	-75.67	385.19	2.75	-72.92
CC(C)[N@@H+]1CCCC1C(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030313022	0	53	0.0	-70.60	413.36	4.53	-66.07
CC(C)[N@H+]1CCCC1C(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030313022	1	53	0.0	-68.01	414.23	4.48	-63.53
CC1=[NH+]C=CN1CC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030313045	1	45	0.0	-72.03	384.45	4.11	-67.92
O=C(NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1C[NH+]2CCC1CC2	REAL300030313065	0	51	0.0	-74.96	396.11	4.27	-70.69
C[C@@H]1[C@H](C(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030313091	0	50	0.0	-77.03	391.51	3.62	-73.41
C[C@@H]1[C@H](C(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030313091	1	50	0.0	-63.04	389.38	4.44	-58.60
CC[C@@H]1[C@@H](C(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030313093	0	53	0.0	-75.38	412.13	4.09	-71.29
CC[C@@H]1[C@@H](C(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030313093	1	53	0.0	-73.45	416.44	4.60	-68.85
CC[N@@H+]1CCOC(C(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030313097	1	51	0.0	-70.53	402.96	3.36	-67.17
CC[N@H+]1CCOC(C(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030313097	1	51	0.0	-74.98	403.04	3.42	-71.56
CC1CCC(C)[NH+]1CC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030313136	0	53	0.0	-72.34	412.10	4.38	-67.96
O=C(CCC[NH+]1CCCC1)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030313139	0	53	0.0	-75.14	424.10	4.96	-70.18
O=C(CC[NH+]1CCCCC1)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030313141	0	53	0.0	-76.29	418.92	4.89	-71.40
C[N@H+](CC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300030313174	0	50	0.0	-74.37	401.10	4.48	-69.89
C[N@@H+](CC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300030313174	1	50	0.0	-74.99	401.65	4.40	-70.59
C[N@@H+]1CCCC1CCC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030313229	0	53	0.0	-71.18	422.38	4.96	-66.22
C[N@H+]1CCCC1CCC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030313229	1	53	0.0	-74.34	416.85	4.46	-69.88
C[NH+]1CCC(C(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030313242	0	50	0.0	-78.41	399.51	4.13	-74.28
O=C(NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN2C=[NH+]C=C2C=C1	REAL300030313306	0	45	0.0	-74.93	385.17	6.01	-68.92
O=C(CC[NH+]1CCOCC1)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030313312	1	51	0.0	-79.85	410.28	2.48	-77.37
CC1=C[NH+]=CN1CC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030313323	1	45	0.0	-75.72	383.72	4.81	-70.91
C[N@@H+]1CCC(CC(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030313342	0	50	0.0	-74.11	401.98	3.96	-70.15
C[N@H+]1CCC(CC(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030313342	1	50	0.0	-76.20	401.87	4.07	-72.13
CCC(C(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030313349	0	49	0.0	-75.25	388.64	3.66	-71.59
O=C(NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC2=C[NH+]=CN2C=C1	REAL300030313366	1	45	0.0	-78.01	385.45	6.02	-71.99
C[NH+](C)CCCCC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030313389	0	52	0.0	-76.11	420.37	4.63	-71.48
CCC[N@H+](C)CCC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030313400	0	52	0.0	-77.45	416.51	4.42	-73.03
CCC[N@@H+](C)CCC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030313400	1	52	0.0	-77.33	416.51	4.41	-72.92
CCC[N@H+](C)CC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030313402	0	49	0.0	-76.71	394.16	3.87	-72.84
CCC[N@@H+](C)CC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030313402	1	49	0.0	-76.85	394.15	3.87	-72.98
O=C(NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CC[N@H+](C1)CCC2	REAL300030313412	0	51	0.0	-71.55	396.79	3.65	-67.90
O=C(NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CC[N@@H+](C1)CCC2	REAL300030313412	1	51	0.0	-71.01	396.58	3.69	-67.32
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030313433	1	47	0.0	-71.95	376.51	3.03	-68.92
C[N@H+]1CCC[C@@H]1C(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030313433	1	47	0.0	-68.79	380.59	3.39	-65.40
CC[NH+](CC)CC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030313458	0	49	0.0	-74.56	391.11	3.86	-70.70
CC1CC[NH+](CC(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030313504	1	53	0.0	-77.17	417.49	4.94	-72.23
C[NH+](C)CC1(C(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030313519	0	50	0.0	-74.25	409.02	4.25	-70.00
C[NH+]1CCC(C(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030313557	0	50	0.0	-78.41	399.51	4.13	-74.28
CCC(C(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](CC)CC	REAL300030313583	0	55	0.0	-70.56	417.63	4.54	-66.02
CC[N@H+](C)CCC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030313612	0	49	0.0	-76.67	395.01	3.66	-73.01
CC[N@@H+](C)CCC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030313612	1	49	0.0	-76.67	395.01	3.66	-73.01
CC1CCC[N@@H+]1CC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030313633	0	50	0.0	-69.98	393.67	3.84	-66.14
CC1CCC[N@H+]1CC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030313633	1	50	0.0	-60.39	400.34	4.45	-55.94
CC1CC[N@H+](CC(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030313634	0	50	0.0	-71.51	401.13	4.10	-67.41
CC1CC[N@@H+](CC(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030313634	1	50	0.0	-75.75	400.24	4.14	-71.61
CC1(C)CC[N@H+](CC(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030313636	0	53	0.0	-72.67	420.22	4.71	-67.96
CC1(C)CC[N@@H+](CC(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030313636	1	53	0.0	-62.49	420.85	5.01	-57.48
C[N@H+](CC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300030313637	0	55	0.0	-76.48	422.75	4.87	-71.61
C[N@@H+](CC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300030313637	1	55	0.0	-76.61	425.15	5.06	-71.55
CC[C@@H](C(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030313643	0	49	0.0	-46.51	384.89	3.75	-42.76
C[NH+](C)CC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030313715	0	43	0.0	-77.03	355.01	2.48	-74.55
O=C(C[NH+]1CCCCCC1)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030313718	0	53	0.0	-76.87	408.15	4.86	-72.01
CN1C=C[N+](CC(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030313721	0	45	0.0	-73.18	386.15	5.97	-67.21
C[N@@H+]1CCCC(C(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030313724	0	50	0.0	-76.37	399.60	4.10	-72.27
C[N@H+]1CCCC(C(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030313724	1	50	0.0	-59.74	394.81	4.32	-55.42
O=C(NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@@H+]1C1CC1	REAL300030313728	1	51	0.0	-71.16	412.90	4.90	-66.26
O=C(NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@H+]1C1CC1	REAL300030313728	1	51	0.0	-64.89	408.99	4.86	-60.03
CCC(CC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300030313742	0	55	0.0	-80.46	429.84	5.10	-75.36
C[N@H+](CC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030313757	0	47	0.0	-74.21	384.33	3.87	-70.34
C[N@@H+](CC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030313757	1	47	0.0	-74.50	384.42	3.89	-70.61
C[NH+]1CC(CC(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030313769	0	47	0.0	-76.54	386.45	3.30	-73.24
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030313778	1	53	0.0	-68.58	416.80	4.06	-64.52
CC(C)(C)[N@H+]1CCC1C(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030313778	1	53	0.0	-73.04	400.02	3.80	-69.24
C[C@@H](C(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030313789	0	46	0.0	-70.16	373.01	2.84	-67.32
[NH2+]=C1SC=CN1CC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030313833	0	43	0.0	-71.47	382.09	2.67	-68.80
C[N@H+](CCO)CCC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030313838	0	50	0.0	-76.13	405.36	0.44	-75.69
C[N@@H+](CCO)CCC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030313838	1	50	0.0	-76.30	405.32	0.44	-75.86
C[C@@H](C(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030313839	0	46	0.0	-70.16	373.01	2.84	-67.32
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030313842	1	50	0.0	-74.54	388.05	3.82	-70.72
C[N@H+]1CCCC[C@@H]1C(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030313842	1	50	0.0	-69.82	396.92	4.07	-65.75
C[N@@H+]1CCC(=CC(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030313896	0	48	0.0	-78.62	393.87	3.98	-74.64
C[N@H+]1CCC(=CC(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030313896	1	48	0.0	-77.85	394.24	3.94	-73.91
C[NH+](C)CCOCC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030313913	0	50	0.0	-73.69	410.88	3.55	-70.14
C=CCC(C)(C(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030313924	0	53	0.0	-77.28	408.34	4.70	-72.58
CN(CCO)CC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030313971	0	47	0.0	-77.30	383.00	-0.11	-77.41
C[N@H+](CCO)CC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030313971	1	47	0.0	-76.24	382.76	-0.10	-76.34
C[N@@H+](CCO)CC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030313971	1	47	0.0	-76.24	382.76	-0.10	-76.34
CC[N@@H+]1CCCC(C(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030313987	0	53	0.0	-65.44	416.33	4.99	-60.45
CC[N@H+]1CCCC(C(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030313987	1	53	0.0	-65.44	416.33	4.99	-60.45
CC(CC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300030313989	0	52	0.0	-76.48	412.20	4.49	-71.99
CC[N@H+](C)CC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030313992	0	46	0.0	-76.42	372.74	3.16	-73.26
CC[N@H+](CC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030314016	0	50	0.0	-73.71	401.37	4.48	-69.23
CC[NH+](CC)CCC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314024	0	52	0.0	-75.95	408.61	4.13	-71.82
CC1(O)CCN(CC(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030314055	0	51	0.0	-76.11	410.95	0.88	-75.23
CC1(O)CC[N@H+](CC(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030314055	1	51	0.0	-57.25	411.23	1.17	-56.08
CC1(O)CC[N@@H+](CC(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030314055	1	51	0.0	-57.25	411.23	1.17	-56.08
C[NH+](C)CC=CC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314057	0	47	0.0	-78.51	390.97	3.71	-74.80
CC(OCC[NH+](C)C)C(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314063	0	53	0.0	-74.18	429.87	4.27	-69.91
C[NH+](C)CCOCCC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314069	0	53	0.0	-74.60	431.84	3.27	-71.33
COCCN(C)CC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314070	0	50	0.0	-76.04	405.01	2.30	-73.74
COCC[N@H+](C)CC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314070	1	50	0.0	-77.64	405.25	2.29	-75.35
COCC[N@@H+](C)CC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314070	1	50	0.0	-77.64	405.25	2.29	-75.35
CC(CCC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030314086	0	52	0.0	-76.68	408.36	4.22	-72.46
O=C(CN1CCCC1CO)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314102	0	51	0.0	-63.84	409.31	1.24	-62.60
O=C(C[N@H+]1CCCC1CO)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314102	1	51	0.0	-71.95	404.57	0.52	-71.43
O=C(C[N@@H+]1CCCC1CO)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314102	1	51	0.0	-71.95	404.57	0.52	-71.43
C=CCC(C(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030314132	0	50	0.0	-73.63	398.24	3.98	-69.65
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314136	0	53	0.0	-56.52	422.16	4.73	-51.79
C[NH+](C)CCCCCC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314138	0	55	0.0	-75.26	441.87	5.40	-69.86
O=C(CN1CC2CC2C1)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314143	0	48	0.0	-76.94	389.56	4.34	-72.60
O=C(C[NH+]1CC2CC2C1)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314143	1	48	0.0	-76.94	389.56	4.34	-72.60
CCCC(C(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030314155	0	52	0.0	-76.19	410.15	4.43	-71.76
CN1CCCCC1C(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314177	0	50	0.0	-68.50	396.85	4.04	-64.46
C[N@@H+]1CCCCC1C(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314177	1	50	0.0	-47.40	388.36	4.24	-43.16
C[N@H+]1CCCCC1C(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314177	1	50	0.0	-47.40	388.36	4.24	-43.16
C[N@H+]1CC=C(CC(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030314196	0	51	0.0	-70.89	414.10	4.82	-66.07
C[N@@H+]1CC=C(CC(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030314196	1	51	0.0	-70.89	414.10	4.82	-66.07
O=C(C=CC[NH+]1CCCC1)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314223	0	51	0.0	-77.25	416.29	4.86	-72.39
O=C(CC[NH+]1CCCC1)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314246	0	50	0.0	-76.50	401.65	4.07	-72.43
O=C(C[N@@H+]1CC2CCC1C2)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314272	0	51	0.0	-70.14	401.96	4.56	-65.58
CC(C[NH+](C)C)C(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314329	0	49	0.0	-75.79	393.42	3.78	-72.01
C[N@@H+]1CCCCC1CC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314365	0	53	0.0	-65.35	415.76	4.70	-60.65
C[N@H+]1CCCCC1CC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314365	1	53	0.0	-65.35	415.76	4.70	-60.65
CC(C(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)N1CC(C)C1	REAL300030314373	0	50	0.0	-48.81	403.38	4.52	-44.29
CC(C(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CC(C)C1	REAL300030314373	1	50	0.0	-48.81	403.38	4.52	-44.29
C[NH+](C)CC(O)CC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314376	0	50	0.0	-79.14	407.49	1.51	-77.63
CC1CN(C)CC(C(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030314390	0	51	0.0	-84.27	406.87	3.66	-80.61
CC1C[N@H+](C)CC(C(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030314390	1	51	0.0	-85.23	414.02	3.56	-81.67
CC1C[N@@H+](C)CC(C(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030314390	1	51	0.0	-85.23	414.02	3.56	-81.67
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030314426	0	50	0.0	-73.41	405.18	4.08	-69.33
CC(CC[NH+](C)C)C(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314430	0	52	0.0	-75.27	415.05	4.39	-70.88
CN1CCN(CC(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030314443	0	52	0.0	-71.63	414.31	1.95	-69.68
C[NH+]1CCN(CC(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030314443	1	52	0.0	-71.63	414.31	1.95	-69.68
NC(=[NH2+])SCC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314463	0	41	0.0	-76.74	362.93	-0.56	-77.30
C[N@@H+]1CC=CCC1CC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314482	0	51	0.0	-68.67	401.07	4.42	-64.25
C[N@H+]1CC=CCC1CC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314482	1	51	0.0	-68.67	401.07	4.42	-64.25
C[C@@H](OCC[NH+](C)C)C(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314492	0	53	0.0	-63.38	429.66	4.28	-59.10
CN1CCC[C@H]1C(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314553	0	47	0.0	-72.87	374.64	2.88	-69.99
C[N@@H+]1CCC[C@H]1C(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314553	1	47	0.0	-61.35	378.34	3.68	-57.67
C[N@H+]1CCC[C@H]1C(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314553	1	47	0.0	-72.87	374.64	2.88	-69.99
O=C(CC[N@@H+]1CCC(F)C1)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314559	1	50	0.0	-76.54	409.50	4.24	-72.30
O=C(C[NH+]1CCCCC1)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314572	1	50	0.0	-76.15	396.64	4.33	-71.82
CC1C(C(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030314577	0	50	0.0	-59.86	401.50	4.33	-55.53
CC1C(C(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030314577	1	50	0.0	-71.56	393.09	3.54	-68.02
CN1CCOCC1CC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314604	0	51	0.0	-81.24	405.63	2.31	-78.93
C[N@@H+]1CCOCC1CC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314604	1	51	0.0	-69.71	398.02	2.11	-67.60
C[N@H+]1CCOCC1CC(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314604	1	51	0.0	-81.24	405.63	2.31	-78.93
C[N@H+]1CCCC1C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030314769	1	47	0.0	-53.06	377.51	3.10	-49.96
CN1CCOC(C(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030314795	0	48	0.0	-69.25	384.63	2.68	-66.57
C[N@@H+]1CCOC(C(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030314795	1	48	0.0	-69.27	385.37	2.69	-66.58
C[N@H+]1CCOC(C(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030314795	1	48	0.0	-69.25	384.63	2.68	-66.57
O=C(CC[NH+]1CCOCC1)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030314944	1	51	0.0	-67.04	412.56	2.91	-64.13
O=C(NC1CCSC12CN(C(=O)C13CCC[NH+]1CCC3)C2)C1=CC(=O)[N-]O1	REAL300030314953	0	51	0.0	-63.29	397.68	4.09	-59.20
O=C(NC1CCSC12CN(C(=O)C1=CC3=C[NH+]=CN3C=C1)C2)C1=CC(=O)[N-]O1	REAL300030314956	1	45	0.0	-68.67	382.90	5.61	-63.06
C[N@@H+]1CCC(CC(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030314979	0	50	0.0	-67.08	404.10	4.09	-62.99
C[N@H+]1CCC(CC(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030314979	1	50	0.0	-66.94	404.02	4.08	-62.86
CCC(C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030314986	0	49	0.0	-54.58	387.40	3.87	-50.71
C[NH+](C)CCCCC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030315019	0	52	0.0	-67.57	422.24	4.69	-62.88
CC(C)C(C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030315033	0	52	0.0	-60.62	400.57	4.21	-56.41
CCC[N@H+](C)CCC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030315034	0	52	0.0	-65.13	418.89	4.85	-60.28
CCC[N@@H+](C)CCC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030315034	1	52	0.0	-65.01	418.89	4.85	-60.16
CCC[N@H+](C)CC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030315037	0	49	0.0	-62.63	396.11	3.95	-58.68
CCC[N@@H+](C)CC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030315037	1	49	0.0	-68.14	397.71	4.00	-64.14
O=C(NC1CCSC12CN(C(=O)C13CC[N@H+](C1)CCC3)C2)C1=CC(=O)[N-]O1	REAL300030315050	0	51	0.0	-64.86	393.27	3.51	-61.35
O=C(NC1CCSC12CN(C(=O)C13CC[N@@H+](C1)CCC3)C2)C1=CC(=O)[N-]O1	REAL300030315050	1	51	0.0	-65.31	394.25	3.49	-61.82
CC1CC[NH+](CC(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030315078	0	53	0.0	-62.32	419.47	5.02	-57.30
C[NH+](C)CC1(C(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030315116	0	50	0.0	-61.57	396.54	4.05	-57.52
CC[N@H+](C)CCC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030315134	0	49	0.0	-64.39	397.39	4.09	-60.30
CC[N@@H+](C)CCC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030315134	1	49	0.0	-64.82	396.98	3.76	-61.06
O=C(NC1CCSC12CN(C(=O)C1C[NH+]3CCC1CC3)C2)C1=CC(=O)[N-]O1	REAL300030315146	0	51	0.0	-69.04	394.82	4.15	-64.89
C[NH+]1CCC(C(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030315187	0	50	0.0	-74.04	399.51	3.96	-70.08
CC(C)[C@H](C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030315202	0	52	0.0	-59.71	399.49	4.02	-55.69
C[NH+](C)C1(C(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300030315266	0	50	0.0	-70.57	386.37	3.79	-66.78
CCC(C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300030315294	0	55	0.0	-53.88	422.05	5.08	-48.80
CC1CCC[N@@H+]1CC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030315303	0	50	0.0	-54.14	397.19	3.99	-50.15
CC1CCC[N@H+]1CC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030315303	1	50	0.0	-59.95	402.25	4.15	-55.80
CC(C)[N@@H+]1CCCC1C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030315339	0	53	0.0	-46.70	396.60	4.73	-41.97
CC(C)[N@H+]1CCCC1C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030315339	1	53	0.0	-58.12	414.84	4.46	-53.66
CC(C)[C@@H](C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030315346	0	52	0.0	-58.10	394.37	3.62	-54.48
CC1CC[N@H+](CC(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030315359	0	50	0.0	-59.43	403.46	4.53	-54.90
CC1CC[N@@H+](CC(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030315359	1	50	0.0	-65.75	402.32	4.28	-61.47
CC1(C)CC[N@H+](CC(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030315362	0	53	0.0	-66.43	422.52	4.72	-61.71
CC1(C)CC[N@@H+](CC(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030315362	1	53	0.0	-55.91	422.57	4.92	-50.99
C[N@H+](CC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030315363	0	55	0.0	-62.03	424.72	4.93	-57.10
C[N@@H+](CC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030315363	1	55	0.0	-67.60	428.25	5.15	-62.45
CC[C@@H](C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030315370	0	49	0.0	-60.55	386.80	3.52	-57.03
CC1=[NH+]C=CN1CC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030315459	1	45	0.0	-65.49	387.86	4.20	-61.29
CC[N@@H+]1CCOC(C(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030315507	1	51	0.0	-68.57	403.17	3.31	-65.26
CC[N@H+]1CCOC(C(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030315507	1	51	0.0	-65.76	401.17	3.28	-62.48
O=C(NC1CCSC12CN(C(=O)C1=CN3C=[NH+]C=C3C=C1)C2)C1=CC(=O)[N-]O1	REAL300030315530	0	45	0.0	-69.28	383.16	5.94	-63.34
CC1=C[NH+]=CN1CC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030315533	1	45	0.0	-56.47	388.24	4.93	-51.54
C[C@@H]1[C@H](C(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030315538	0	50	0.0	-60.47	393.48	3.70	-56.77
C[C@@H]1[C@H](C(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030315538	1	50	0.0	-71.48	400.37	3.81	-67.67
CC[C@@H]1[C@@H](C(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030315540	0	53	0.0	-69.82	413.71	4.47	-65.35
CC[C@@H]1[C@@H](C(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030315540	1	53	0.0	-68.70	414.07	4.65	-64.05
CC1CCC(C)[NH+]1CC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030315546	0	53	0.0	-58.88	414.04	4.56	-54.32
O=C(CCC[NH+]1CCCC1)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030315549	0	53	0.0	-65.52	425.52	5.31	-60.21
O=C(CC[NH+]1CCCCC1)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030315553	0	53	0.0	-63.49	420.85	5.29	-58.20
CC[N@@H+]1CCCCC1C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030315556	0	53	0.0	-61.07	416.51	5.03	-56.04
CC[N@H+]1CCCCC1C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030315556	1	53	0.0	-59.52	404.65	4.40	-55.12
C[N@H+](CC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030315640	0	50	0.0	-65.04	403.42	4.49	-60.55
C[N@@H+](CC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030315640	1	50	0.0	-65.76	404.71	4.58	-61.18
C[NH+]1CCC(C(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030315665	0	50	0.0	-74.04	399.51	3.96	-70.08
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030315690	0	47	0.0	-66.91	376.38	2.98	-63.93
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030315690	1	47	0.0	-60.19	380.58	3.50	-56.69
C[N@@H+]1CCCC1CCC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030315712	0	53	0.0	-56.86	420.96	5.22	-51.64
C[N@H+]1CCCC1CCC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030315712	1	53	0.0	-68.88	420.41	4.63	-64.25
C[N@@H+]1CCCCC1C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030315777	0	50	0.0	-64.29	398.26	4.17	-60.12
C[N@H+]1CCCCC1C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030315777	1	50	0.0	-42.86	398.53	4.40	-38.46
CC1C(C(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030315829	0	50	0.0	-68.85	398.24	4.13	-64.72
CC1C(C(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030315829	1	50	0.0	-65.23	397.91	4.13	-61.10
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030315881	0	53	0.0	-53.87	389.80	3.74	-50.13
CC(C)(C)[N@H+]1CCC1C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030315881	1	53	0.0	-65.62	396.93	3.69	-61.93
C[C@@H](C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030315895	0	46	0.0	-54.47	372.55	2.89	-51.58
C=CCC(C)(C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030315908	0	53	0.0	-53.74	404.51	4.51	-49.23
O=C(CC[NH+]1CCCC1)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030315922	0	50	0.0	-64.34	405.22	4.27	-60.07
C[N@H+](CCO)CC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030315931	1	47	0.0	-68.67	386.56	0.03	-68.64
C[N@@H+](CCO)CC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030315931	1	47	0.0	-62.68	384.75	-0.03	-62.71
C[N@H+]1CC=C(CC(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030315980	0	51	0.0	-68.53	416.14	4.93	-63.60
C[N@@H+]1CC=C(CC(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030315980	1	51	0.0	-64.42	416.02	4.86	-59.56
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030315998	1	51	0.0	-65.52	398.54	0.49	-65.03
C[N@H+]1CC(O)CC1(C)C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030315998	1	51	0.0	-74.05	397.22	0.83	-73.22
CC1C[NH+](CC(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030316024	1	47	0.0	-48.90	388.68	3.97	-44.93
CC[N@@H+]1CCCC(C(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030316030	0	53	0.0	-64.44	419.54	4.78	-59.66
CC[N@H+]1CCCC(C(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030316030	1	53	0.0	-63.09	416.51	4.63	-58.46
NC1=[NH+]C=CC=C1CC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030316034	0	46	0.0	-58.66	392.72	2.40	-56.26
O=C(NC1CCSC12CN(C(=O)C1CCC[N@@H+]1C1CC1)C2)C1=CC(=O)[N-]O1	REAL300030316041	0	51	0.0	-60.22	407.20	4.44	-55.78
O=C(NC1CCSC12CN(C(=O)C1CCC[N@H+]1C1CC1)C2)C1=CC(=O)[N-]O1	REAL300030316041	1	51	0.0	-45.59	400.57	4.16	-41.43
O=C(C=CC[NH+]1CCCC1)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030316062	0	51	0.0	-70.02	417.73	5.15	-64.87
CC[N@H+](C)CC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030316103	0	46	0.0	-67.94	376.21	3.26	-64.68
CC(OCC[NH+](C)C)C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030316208	0	53	0.0	-65.66	429.99	4.18	-61.48
C[NH+](C)CCOCCC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030316215	0	53	0.0	-65.76	433.70	3.34	-62.42
COCCN(C)CC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030316217	0	50	0.0	-62.39	407.00	2.37	-60.02
COCC[N@H+](C)CC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030316217	1	50	0.0	-68.80	408.81	2.43	-66.37
COCC[N@@H+](C)CC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030316217	1	50	0.0	-68.80	408.81	2.43	-66.37
CC(CCC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030316220	0	52	0.0	-65.19	414.17	4.29	-60.90
CC[N@H+](CC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030316234	0	50	0.0	-62.53	398.15	4.27	-58.26
CN1CC2CC1(C(=O)N1CC3(C1)SCCC3NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030316259	0	48	0.0	-70.01	386.48	3.59	-66.42
C[N@@H+]1CC2CC1(C(=O)N1CC3(C1)SCCC3NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030316259	1	48	0.0	-64.73	377.92	3.91	-60.82
C[N@H+]1CC2CC1(C(=O)N1CC3(C1)SCCC3NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030316259	1	48	0.0	-64.73	377.92	3.91	-60.82
O=C(C[N@@H+]1CC2CCC1C2)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030316266	0	51	0.0	-51.56	401.79	4.74	-46.82
CC(C[NH+](C)C)C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030316280	0	49	0.0	-64.78	393.33	3.93	-60.85
CCN1CCC1C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030316310	0	47	0.0	-60.41	381.30	3.25	-57.16
CC[N@@H+]1CCC1C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030316310	1	47	0.0	-60.68	381.38	3.10	-57.58
CC[N@H+]1CCC1C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030316310	1	47	0.0	-60.68	381.38	3.10	-57.58
CCC(C)(C)[NH2+]C(C)C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030316318	0	55	0.0	-60.58	422.49	3.20	-57.38
CCCC(C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030316349	0	52	0.0	-61.85	408.36	4.29	-57.56
C[NH+](C)C(C)(C)C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030316353	0	49	0.0	-62.63	377.46	3.52	-59.11
CC(CC[NH+](C)C)C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030316366	0	52	0.0	-65.89	418.43	4.32	-61.57
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030316416	0	53	0.0	-57.47	410.06	4.44	-53.03
C[NH+](C)CCCCCC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030316418	0	55	0.0	-67.78	443.74	5.47	-62.31
CN1CCN(CC(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030316425	0	52	0.0	-66.54	415.91	2.02	-64.52
C[NH+]1CCN(CC(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030316425	1	52	0.0	-66.54	415.91	2.02	-64.52
CC1CN(C)CC(C(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)O1	REAL300030316471	0	51	0.0	-81.15	410.90	3.65	-77.50
CC1C[N@H+](C)CC(C(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)O1	REAL300030316471	1	51	0.0	-72.41	404.78	3.52	-68.89
CC1C[N@@H+](C)CC(C(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)O1	REAL300030316471	1	51	0.0	-72.41	404.78	3.52	-68.89
C[N@@H+]1CCCCC1C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030316517	0	50	0.0	-42.86	398.53	4.40	-38.46
C[N@@H+]1CCC(=CC(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030316578	0	48	0.0	-69.59	395.06	4.05	-65.54
C[N@H+]1CCC(=CC(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030316578	1	48	0.0	-69.59	395.06	4.05	-65.54
O=C(CNC1=CC=[NH+]C=C1)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030316580	0	46	0.0	-66.91	392.94	2.15	-64.76
C[NH+](C)C1(C(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300030316631	0	53	0.0	-71.63	398.58	4.65	-66.98
CCC1CN(CC(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030316640	0	50	0.0	-68.02	409.55	4.42	-63.60
CCC1C[NH+](CC(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030316640	1	50	0.0	-68.02	409.55	4.42	-63.60
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030316649	0	47	0.0	-65.99	376.51	3.00	-62.99
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030316731	0	50	0.0	-59.86	406.98	4.60	-55.26
C[NH+](C)CCC1(C(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030316739	0	53	0.0	-62.33	432.63	5.06	-57.27
C[N@@H+]1CC=CCC1CC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030316740	0	51	0.0	-66.20	408.52	4.54	-61.66
C[N@H+]1CC=CCC1CC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030316740	1	51	0.0	-66.20	408.52	4.54	-61.66
C[NH+](C)CCOCC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030316769	0	50	0.0	-64.90	412.75	3.65	-61.25
[NH2+]=C1SC=CN1CC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030316794	0	43	0.0	-62.95	385.53	2.77	-60.18
C[C@@H](OCC[NH+](C)C)C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030316827	0	53	0.0	-63.00	427.97	4.15	-58.85
O=C(C[NH+]1CCCCC1)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030316852	0	50	0.0	-56.47	400.22	4.47	-52.00
C[N@@H+]1CCCC(C(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030316853	0	50	0.0	-69.99	399.53	3.90	-66.09
C[N@H+]1CCCC(C(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030316853	1	50	0.0	-66.62	397.11	4.26	-62.36
O=C(C[NH+]1CCCCCC1)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030316854	0	53	0.0	-67.94	409.44	4.64	-63.30
CN1C=C[N+](CC(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030316857	0	45	0.0	-61.62	388.10	6.05	-55.57
O=C(C[NH+]1CCC(O)CC1)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030316876	1	51	0.0	-66.21	409.71	1.05	-65.16
C[N@H+](CC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030316877	0	47	0.0	-59.85	386.17	3.94	-55.91
C[N@@H+](CC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030316877	1	47	0.0	-60.42	386.30	3.94	-56.48
O=C(CC[N@H+]1CCC(F)C1)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030316880	0	50	0.0	-56.73	412.07	4.68	-52.05
O=C(CC[N@@H+]1CCC(F)C1)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030316880	1	50	0.0	-67.12	411.94	4.68	-62.44
CC(CC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030316899	0	52	0.0	-66.92	414.17	4.56	-62.36
C[N@@H+]1CCOCC1CC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030316918	1	51	0.0	-49.85	400.06	2.63	-47.22
C[N@H+]1CCOCC1CC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030316918	1	51	0.0	-69.02	407.50	2.35	-66.67
CC1=CC(N)=[NH+]C=C1C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030316954	1	46	0.0	-55.43	384.22	2.09	-53.34
CC1(O)CC[N@H+](CC(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030316981	1	51	0.0	-66.06	412.88	0.94	-65.12
CC1(O)CC[N@@H+](CC(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030316981	1	51	0.0	-65.90	412.74	0.93	-64.97
C[NH+]1CC(CC(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030317004	0	47	0.0	-66.68	388.59	3.71	-62.97
C[NH+](C)CC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030317013	0	43	0.0	-63.44	356.88	2.54	-60.90
C[N@H+](CCO)CCC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030317028	0	50	0.0	-63.29	407.75	0.89	-62.40
C[N@@H+](CCO)CCC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030317028	1	50	0.0	-64.13	407.74	0.89	-63.24
C[C@@H](C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030317029	0	46	0.0	-54.47	372.55	2.89	-51.58
C[N@@H+]1CCCCC1CC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030317043	0	53	0.0	-39.17	408.68	4.88	-34.29
C[N@H+]1CCCCC1CC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030317043	1	53	0.0	-71.31	416.55	4.69	-66.62
CC(C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300030317053	1	50	0.0	-60.41	403.26	3.99	-56.42
CC1CC[N@@H+]1CC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030317055	1	47	0.0	-58.28	383.08	3.69	-54.59
CC1CC[N@H+]1CC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030317055	1	47	0.0	-60.23	388.62	3.97	-56.26
C[NH+](C)CC=CC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030317061	0	47	0.0	-69.46	393.86	3.76	-65.70
O=C(C[N@H+]1CCCC1CO)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030317102	1	51	0.0	-59.80	402.69	1.08	-58.72
O=C(C[N@@H+]1CCCC1CO)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030317102	1	51	0.0	-66.12	410.07	1.17	-64.95
CC[NH+](CC)CC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030317106	0	49	0.0	-60.68	392.98	3.88	-56.80
CC[NH+](CC)CCC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030317143	0	52	0.0	-64.01	414.83	4.47	-59.54
CC(C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030317195	1	47	0.0	-60.10	387.51	3.52	-56.58
CCC(CC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030317200	0	55	0.0	-50.60	432.96	5.48	-45.12
C[NH+](C)CC(C)(C)C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030317205	0	52	0.0	-64.10	399.44	3.77	-60.33
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030317237	0	50	0.0	-61.52	387.63	3.67	-57.85
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030317237	1	50	0.0	-58.73	398.61	4.13	-54.60
C[NH+](C)CC(O)CC(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030317258	0	50	0.0	-69.24	409.47	1.60	-67.64
C=CCC(C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030317279	0	50	0.0	-59.02	400.90	4.37	-54.65
C[NH+]1CCC(C)(C(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030317291	0	53	0.0	-61.17	407.07	4.14	-57.03
CC(NC(=O)C1CCC[N@@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030317495	0	48	0.0	-73.35	369.26	2.60	-70.75
CC(NC(=O)C1CCC[N@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030317495	1	48	0.0	-73.03	369.62	2.63	-70.40
CC(NC(=O)C1C[N@H+](C)CCO1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030317519	1	49	0.0	-69.28	379.61	2.32	-66.96
CC(NC(=O)C1C[N@@H+](C)CCO1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030317519	1	49	0.0	-84.13	386.92	2.46	-81.67
CC(C)C1=[NH+]C=CN1CCC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030317703	1	55	0.0	-65.30	438.67	5.22	-60.08
CC(NC(=O)C(C)[NH+]1CCCCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030317710	0	57	0.0	-68.49	413.52	4.62	-63.87
CC(C)[N@@H+]1CCCCC1C(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030317712	0	57	0.0	-64.59	416.00	4.51	-60.08
CC(C)[N@H+]1CCCCC1C(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030317712	1	57	0.0	-65.17	422.21	4.43	-60.74
CC(C)[N@@H+]1CCCC1C(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030317746	0	54	0.0	-65.72	408.15	4.10	-61.62
CC(C)[N@H+]1CCCC1C(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030317746	1	54	0.0	-69.17	408.53	4.16	-65.01
CC(NC(=O)C1CC2CCCC[N@@H+]2C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030317772	0	55	0.0	-68.52	417.11	4.69	-63.83
CC(NC(=O)C1CC2CCCC[N@H+]2C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030317772	1	55	0.0	-68.56	417.08	4.71	-63.85
CC(C)C1=[NH+]C=CN1CC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030317805	1	52	0.0	-65.93	414.72	4.69	-61.24
CC1=[NH+]C=CN1CC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030317859	1	46	0.0	-67.65	378.46	3.56	-64.09
CC(C[NH+]1CCOCC1)C(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030317861	0	55	0.0	-72.25	420.36	2.68	-69.57
CC(NC(=O)CCC[NH+]1CCCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030317883	0	57	0.0	-71.30	434.53	5.18	-66.12
CC(NC(=O)C(C)(C)[NH+]1CCCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030317910	0	57	0.0	-69.02	418.35	4.91	-64.11
CC(NC(=O)C1C[NH+]2CCC1CC2)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030317929	0	52	0.0	-76.61	390.27	3.74	-72.87
CC(NC(=O)C1CCCC2CCC[N@@H+]21)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030317987	0	55	0.0	-67.16	414.02	4.82	-62.34
CC(NC(=O)C1CCCC2CCC[N@H+]21)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030317987	1	55	0.0	-67.35	414.13	4.87	-62.48
CC(NC(=O)C1=CN(CC[NH+](C)C)N=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030317989	0	54	0.0	-78.57	433.34	3.43	-75.14
CC(NC(=O)C1=NN(CC[NH+](C)C)C=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318004	0	54	0.0	-83.00	434.22	3.52	-79.48
CC(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318011	0	51	0.0	-74.74	387.04	3.17	-71.57
CC(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318011	1	51	0.0	-70.89	392.11	3.22	-67.67
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318014	1	55	0.0	-65.35	434.98	5.15	-60.20
CC[C@@H]1[C@@H](C(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030318017	0	54	0.0	-74.71	406.40	3.69	-71.02
CC[C@@H]1[C@@H](C(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030318017	1	54	0.0	-72.47	410.44	4.28	-68.19
CC[N@@H+]1CCOC(C(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030318043	1	52	0.0	-76.23	396.37	2.84	-73.39
CC[N@H+]1CCOC(C(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030318043	1	52	0.0	-74.87	397.12	2.86	-72.01
CC[NH+](CC)CC(F)C(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318103	0	53	0.0	-73.99	408.52	3.80	-70.19
CC(NC(=O)C1=C(C[NH+](C)C)C=CS1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318104	0	51	0.0	-63.22	414.86	4.54	-58.68
CC(NC(=O)C[NH+]1C(C)CCC1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318209	0	54	0.0	-66.55	406.96	3.99	-62.56
CC(NC(=O)CCC[NH+]1CCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318216	0	54	0.0	-71.18	418.86	4.47	-66.71
CC(NC(=O)C1=CC=CC(C[NH+](C)C)=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318217	0	54	0.0	-74.51	427.23	5.44	-69.07
C#CC[NH+]1CCC(C(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030318224	0	53	0.0	-74.99	418.32	4.75	-70.24
CC(NC(=O)CC[NH+]1CCCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318225	0	54	0.0	-70.95	413.03	4.36	-66.59
CC(NC(=O)C1=CC=CC=C1C[NH+](C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318229	0	54	0.0	-65.02	420.56	5.72	-59.30
CC[N@@H+]1CCCCC1C(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318238	0	54	0.0	-70.12	399.84	4.04	-66.08
CC[N@H+]1CCCCC1C(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318238	1	54	0.0	-70.27	399.90	4.08	-66.19
CC(C)C(C(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300030318239	0	60	0.0	-69.75	438.27	6.11	-63.64
CC(NC(=O)C(C1=CC=CC=C1)[NH+](C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318242	1	54	0.0	-70.32	423.72	5.43	-64.89
CC(C)C[N@@H+]1CCC(C(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030318268	0	57	0.0	-73.06	433.59	5.04	-68.02
CC(C)C[N@H+]1CCC(C(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030318268	1	57	0.0	-68.91	433.53	4.94	-63.97
CC(NC(=O)C1([NH+](C)C)CCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318272	0	51	0.0	-69.12	382.18	3.53	-65.59
CC(NC(=O)C(CN1C=CC=N1)[NH+](C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318274	1	54	0.0	-67.55	422.03	3.19	-64.36
CC(C)[N@@H+]1CCCC1CC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318279	0	57	0.0	-71.99	422.38	4.37	-67.62
CC(C)[N@H+]1CCCC1CC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318279	1	57	0.0	-68.07	428.81	4.66	-63.41
CC(NC(=O)C1CCC[N@@H+]1C1CCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318280	0	58	0.0	-65.74	428.40	5.36	-60.38
CC(NC(=O)C1CCC[N@H+]1C1CCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318280	1	58	0.0	-73.38	420.91	5.71	-67.67
CC(C)[C@@H](C(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030318301	0	53	0.0	-67.49	398.33	4.15	-63.34
CC(NC(=O)C[N@H+](C)C1CCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318363	0	51	0.0	-68.30	395.15	3.91	-64.39
CC(NC(=O)C[N@@H+](C)C1CCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318363	1	51	0.0	-68.43	395.25	3.93	-64.50
CC(NC(=O)C(C)[NH+]1C(C)CCC1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318449	0	57	0.0	-63.56	419.01	4.09	-59.47
CC(NC(=O)CCN(C)C1=CC=[NH+]C=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318528	0	53	0.0	-66.82	423.77	3.61	-63.21
C#CC[N@H+]1CCC[C@H]1C(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318540	1	50	0.0	-71.66	396.09	3.78	-67.88
C#CC[N@@H+]1CCC[C@H]1C(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318540	1	50	0.0	-71.55	402.04	4.26	-67.29
CC(NC(=O)CCC1CCC[N@@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318550	0	54	0.0	-69.60	411.31	4.03	-65.57
CC(NC(=O)CCC1CCC[N@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318550	1	54	0.0	-72.89	416.73	4.51	-68.38
CC(NC(=O)C12CCC[NH+](CCC1)C2)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318563	0	55	0.0	-70.84	406.74	4.21	-66.63
CC(NC(=O)C1CCC2CCCC[N@@H+]21)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318571	0	55	0.0	-68.48	417.39	4.92	-63.56
CC(NC(=O)C1CCC2CCCC[N@H+]21)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318571	1	55	0.0	-65.51	409.95	4.46	-61.05
CC(NC(=O)C(C)(C)C[NH+]1CCOCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318579	0	58	0.0	-72.15	430.54	3.13	-69.02
CC(NC(=O)CCCC[NH+]1CCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318599	0	57	0.0	-71.67	440.36	5.25	-66.42
CC(NC(=O)C[N@H+](C)CC1=CC=CC=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318602	1	54	0.0	-74.16	425.74	5.53	-68.63
CC(NC(=O)C[N@@H+](C)CC1=CC=CC=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318602	1	54	0.0	-74.38	425.69	5.54	-68.84
CC(NC(=O)C1CC[NH+](C)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318619	0	51	0.0	-74.65	393.62	3.60	-71.05
CC(NC(=O)C1=NOC(C[NH+](C)C)=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318679	1	50	0.0	-79.57	407.61	2.98	-76.59
CC1=C(C(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300030318681	0	49	0.0	-70.18	401.35	5.69	-64.49
CC(NC(=O)C1CCCC[N@@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318724	0	51	0.0	-68.75	381.67	3.37	-65.38
CC(NC(=O)C1CCCC[N@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318724	1	51	0.0	-66.07	390.95	3.55	-62.52
CC(C)C[N@@H+]1CCCC1C(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318755	0	57	0.0	-70.34	434.26	5.13	-65.21
CC(C)C[N@H+]1CCCC1C(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318755	1	57	0.0	-70.34	433.09	5.18	-65.16
CC(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318912	0	46	0.0	-71.75	379.20	5.45	-66.30
CC1=[NH+]C=CN1CCCC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318925	1	52	0.0	-68.80	420.00	4.84	-63.96
CC(NC(=O)CCCC[NH+]1CCOCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318929	1	58	0.0	-74.79	447.30	3.54	-71.25
CC(NC(=O)C1=CC=C(C[NH+](C)C)C=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318935	0	54	0.0	-78.70	427.17	5.44	-73.26
CC(NC(=O)CC[NH+]1CCOCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318936	1	52	0.0	-74.02	404.30	1.94	-72.08
CCC[NH+](CCC)CCCC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318961	0	62	0.0	-74.22	472.08	6.18	-68.04
CC1=C[NH+]=CN1CC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318981	1	46	0.0	-69.07	378.79	4.28	-64.79
CC(NC(=O)CN1C=[NH+]C2=C1CCCC2)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318992	1	53	0.0	-67.97	420.61	6.02	-61.95
CC(NC(=O)C1(C[NH+](C)C)CCCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030319036	0	60	0.0	-76.21	433.45	5.21	-71.00
CC(NC(=O)CC[N@H+](C)C1CCCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030319042	0	60	0.0	-72.45	447.45	5.52	-66.93
CC(NC(=O)CC[N@@H+](C)C1CCCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030319042	1	60	0.0	-72.08	447.44	5.54	-66.54
CC(NC(=O)C12CCC[NH+]1CCC2)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030319047	0	52	0.0	-68.42	393.89	3.98	-64.44
CC(NC(=O)C1CCCC([NH+](C)C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030319086	0	57	0.0	-68.48	421.78	4.64	-63.84
CC(NC(=O)CC1CC[N@H+](C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030319091	0	51	0.0	-72.16	395.47	3.53	-68.63
CC(NC(=O)CC1CC[N@@H+](C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030319091	1	51	0.0	-71.89	395.83	3.62	-68.27
CC(NC(=O)C1=C[NH+]=CC=C1N(C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030319105	0	50	0.0	-80.49	400.25	2.82	-77.67
CCC(C(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030319111	0	50	0.0	-71.43	379.77	3.02	-68.41
CC(NC(=O)CC1([NH+](C)C)CCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030319131	0	57	0.0	-76.24	412.45	4.47	-71.77
CC(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030319196	1	46	0.0	-75.16	379.47	5.46	-69.70
CC(NC(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030319239	1	49	0.0	-81.89	409.23	3.44	-78.45
CC(NC(=O)CCCC[NH+](C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030319273	0	53	0.0	-75.34	414.89	4.15	-71.19
CC(C)C(C(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030319295	0	53	0.0	-71.21	394.86	4.02	-67.19
CCC[N@H+](C)CCC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030319297	0	53	0.0	-72.14	410.63	3.89	-68.25
CCC[N@@H+](C)CCC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030319297	1	53	0.0	-72.33	410.63	3.89	-68.44
CCC[N@H+](C)CC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030319303	0	50	0.0	-70.36	388.26	3.36	-67.00
CCC[N@@H+](C)CC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030319303	1	50	0.0	-70.19	388.26	3.36	-66.83
CC(NC(=O)C12CC[N@H+](C1)CCC2)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030319333	0	52	0.0	-74.31	391.16	3.25	-71.06
CC(NC(=O)C12CC[N@@H+](C1)CCC2)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030319333	1	52	0.0	-74.15	391.00	3.18	-70.97
CC(NC(=O)[C@H]1CCC[N@@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030319397	0	48	0.0	-66.91	375.14	3.03	-63.88
CC(NC(=O)[C@H]1CCC[N@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030319397	1	48	0.0	-70.43	368.98	2.50	-67.93
CC(NC(=O)C1CCC2CC(C)C[N@@H+]2C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030319424	0	58	0.0	-67.99	437.17	5.23	-62.76
CC(NC(=O)C1CCC2CC(C)C[N@H+]2C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030319424	1	58	0.0	-71.31	437.30	5.31	-66.00
CCCCCC[N@H+](C)CC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030319475	0	59	0.0	-71.58	452.75	5.69	-65.89
CCCCCC[N@@H+](C)CC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030319475	1	59	0.0	-71.47	452.75	5.71	-65.76
CC[NH+](CC)C(C(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300030319484	0	59	0.0	-68.02	424.11	4.63	-63.39
CC[NH+](CC)CC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030319494	0	50	0.0	-72.38	385.24	3.44	-68.94
CCC[N@@H+]1CCCC(C(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030319528	0	57	0.0	-64.10	426.83	5.24	-58.86
CCC[N@H+]1CCCC(C(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030319528	1	57	0.0	-64.29	426.53	5.17	-59.12
CC(C)[N@@H+]1CCOC(C(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030319551	1	55	0.0	-76.93	420.98	3.56	-73.37
CC(C)[N@H+]1CCOC(C(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030319551	1	55	0.0	-80.26	421.42	3.58	-76.68
CC(NC(=O)C[NH+]1CCC(C)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030319591	0	54	0.0	-70.48	411.99	4.44	-66.04
CC(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030319622	1	49	0.0	-78.47	408.33	3.38	-75.09
CC(NC(=O)COC1CC[NH+](C)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030319631	0	55	0.0	-77.17	428.98	4.03	-73.14
CC(NC(=O)C1(C[NH+](C)C)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030319648	0	51	0.0	-73.38	400.89	3.75	-69.63
CC1=[NH+]C=C2CCC(C(=O)NC(C)C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300030319649	1	53	0.0	-68.06	417.08	4.71	-63.35
CC(C)[NH+]1CCC(C(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030319750	0	57	0.0	-71.98	427.93	4.79	-67.19
CC(NC(=O)C1CC[NH+](C)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030319780	0	51	0.0	-74.65	393.62	3.60	-71.05
CC(C)[C@H](C(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030319803	0	53	0.0	-71.99	397.81	4.12	-67.87
CCC(C(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030319840	0	56	0.0	-68.11	411.31	4.24	-63.87
CC[N@H+](C)CCC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030319935	0	50	0.0	-71.46	389.12	3.16	-68.30
CC[N@@H+](C)CCC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030319935	1	50	0.0	-71.60	389.13	3.15	-68.45
CC(NC(=O)C[N@@H+]1CCCC1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320011	0	51	0.0	-71.41	394.84	3.76	-67.65
CC(NC(=O)C[N@H+]1CCCC1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320011	1	51	0.0	-66.80	388.03	3.39	-63.41
CC(NC(=O)C[N@@H+]1CCC(C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320013	0	51	0.0	-73.25	394.80	3.65	-69.60
CC(NC(=O)C[N@H+]1CCC(C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320013	1	51	0.0	-69.06	387.47	3.41	-65.65
CC(NC(=O)C1(F)CC[N@@H+](C(C)(C)C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320014	0	57	0.0	-68.13	431.15	4.24	-63.89
CC(NC(=O)C1(F)CC[N@H+](C(C)(C)C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320014	1	57	0.0	-69.68	431.32	4.27	-65.41
CC1=[NH+]C=C2CC(C(=O)NC(C)C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300030320016	1	53	0.0	-71.22	418.70	4.71	-66.51
CC(NC(=O)C[N@@H+]1CCC(C)(C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320019	0	54	0.0	-73.32	414.47	4.22	-69.10
CC(NC(=O)C[N@H+]1CCC(C)(C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320019	1	54	0.0	-73.62	414.96	4.25	-69.37
CC(NC(=O)C[N@H+](C)CC(C)(C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320020	0	56	0.0	-69.60	419.17	4.51	-65.09
CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320020	1	56	0.0	-70.16	416.86	4.35	-65.81
CC[C@@H](C(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030320031	0	50	0.0	-66.92	379.69	2.95	-63.97
CC(COCC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300030320039	0	58	0.0	-68.00	446.18	4.65	-63.35
CC(NC(=O)C1CC[NH+](CC2CC2)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320127	0	58	0.0	-74.32	444.59	5.82	-68.50
CC(NC(=O)CC1(O)CC[NH+](C)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320277	0	55	0.0	-71.18	417.17	2.41	-68.77
COCC[N@@H+]1CCCC1CC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320284	0	58	0.0	-70.22	444.07	3.63	-66.59
COCC[N@H+]1CCCC1CC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320284	1	58	0.0	-70.22	440.79	2.98	-67.24
CC(NC(=O)C[NH+](C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320292	0	44	0.0	-74.44	349.53	2.01	-72.43
CC(NC(=O)C[NH+]1CCC(CO)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320297	0	55	0.0	-71.89	422.82	1.14	-70.75
CC(NC(=O)C[NH+]1CCCCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320301	0	54	0.0	-69.19	400.35	3.99	-65.20
CC(NC(=O)C[N+]1=CN(C)C=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320306	0	46	0.0	-71.54	380.76	5.52	-66.02
CC(NC(=O)C1CCC[N@H+](C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320317	0	51	0.0	-65.59	387.66	3.84	-61.75
CC(NC(=O)C1CCC[N@@H+](C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320317	1	51	0.0	-65.55	387.68	3.85	-61.70
CC(NC(=O)C1CCC[N@@H+]1C1CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320323	0	52	0.0	-65.46	406.46	4.48	-60.98
CC(NC(=O)C1CCC[N@H+]1C1CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320323	1	52	0.0	-73.32	390.97	4.33	-68.99
CC(NC(=O)C(C)[NH+]1CCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320360	1	48	0.0	-72.18	379.33	2.93	-69.25
CCC(CC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030320369	0	56	0.0	-75.16	420.44	4.60	-70.56
CC(NC(=O)C(C)(C)C[NH+](C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320378	0	53	0.0	-70.79	395.30	3.67	-67.12
CC(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320401	0	53	0.0	-72.02	407.76	4.76	-67.26
CC(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320401	1	53	0.0	-69.07	404.22	5.09	-63.98
CC(NC(=O)C[NH+]1CCC(O)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320424	1	52	0.0	-74.09	402.23	0.48	-73.61
CC(NC(=O)C[N@H+](C)C1CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320426	0	48	0.0	-67.88	378.43	3.34	-64.54
CC(NC(=O)C[N@@H+](C)C1CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320426	1	48	0.0	-67.66	378.30	3.35	-64.31
CC(NC(=O)C(C)N1CC[NH+](C)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320427	1	56	0.0	-69.78	419.98	1.77	-68.01
CC(NC(=O)CC1C[NH+](C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320456	0	48	0.0	-74.35	380.97	2.83	-71.52
CC(NC(=O)C1CC[N@@H+]1C1CCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320460	0	55	0.0	-73.43	421.84	4.95	-68.48
CC(NC(=O)C1CC[N@H+]1C1CCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320460	1	55	0.0	-70.10	419.64	4.72	-65.38
CC(NC(=O)C1CC[N@@H+]1C(C)(C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320468	0	54	0.0	-66.14	395.16	3.14	-63.00
CC(NC(=O)C1CC[N@H+]1C(C)(C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320468	1	54	0.0	-72.10	392.85	3.50	-68.60
CC(NC(=O)C1CCN(C2=CC=[NH+]C=C2)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320479	0	54	0.0	-76.05	427.80	2.66	-73.39
CC(NC(=O)[C@H](C)[NH+](C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320482	0	47	0.0	-72.42	367.46	2.44	-69.98
CCC1CCC[N@H+](CC(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030320534	0	57	0.0	-69.90	430.35	5.13	-64.77
CCC1CCC[N@@H+](CC(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030320534	1	57	0.0	-74.33	430.57	5.16	-69.17
CC(NC(=O)C1=CC=C(C[NH+](C)C)N1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320543	0	52	0.0	-78.22	415.60	3.37	-74.85
CC(NC(=O)CC1CC2CCC(C1)[NH+]2C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320558	0	58	0.0	-72.96	414.72	4.39	-68.57
CC(NC(=O)CN1C=CSC1=[NH2+])C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320604	0	44	0.0	-67.18	376.10	2.12	-65.06
CC(NC(=O)CC[N@H+](C)CCO)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320617	0	51	0.0	-71.90	399.48	-0.07	-71.97
CC(NC(=O)CC[N@@H+](C)CCO)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320617	1	51	0.0	-70.83	399.43	-0.08	-70.91
CC(NC(=O)[C@H](C)[NH+](C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320618	0	47	0.0	-72.42	367.46	2.44	-69.98
CC(NC(=O)[C@H]1CCCC[N@@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320622	0	51	0.0	-65.77	391.31	3.62	-62.15
CC(NC(=O)[C@H]1CCCC[N@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320622	1	51	0.0	-68.71	381.90	3.40	-65.31
CC(NC(=O)C1C[N@@H+]2CCN1CC2C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320632	0	54	0.0	-71.66	400.59	0.88	-70.78
CC(NC(=O)C1C[N@H+]2CCN1CC2C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320632	1	54	0.0	-75.46	402.23	0.98	-74.48
COC1C[N@@H+]2CCCC2(C(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030320681	0	56	0.0	-72.08	422.73	2.57	-69.51
COC1C[N@H+]2CCCC2(C(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030320681	1	56	0.0	-68.38	419.09	2.71	-65.67
CC(NC(=O)CC1=CC2=C[NH+]=CN2C=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320697	0	49	0.0	-70.80	403.44	6.11	-64.69
CC(NC(=O)C[N@H+](C)C1CCSC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320730	0	52	0.0	-75.45	408.37	4.17	-71.28
CC(NC(=O)C[N@@H+](C)C1CCSC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320730	1	52	0.0	-75.61	408.38	4.19	-71.42
CC(NC(=O)C[NH+]1CCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320731	1	45	0.0	-74.16	359.63	2.43	-71.73
CC(NC(=O)C1=CC=NC(C[NH+](C)C)=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320769	1	53	0.0	-72.32	423.18	3.97	-68.35
CC(NC(=O)C=C1CC[N@H+](C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320771	0	49	0.0	-76.42	388.44	3.58	-72.84
CC(NC(=O)C=C1CC[N@@H+](C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320771	1	49	0.0	-74.01	387.13	3.54	-70.47
CC(NC(=O)C1C[NH+](C2CCCCC2)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320798	0	58	0.0	-71.52	440.54	5.30	-66.22
CC(NC(=O)COCC[NH+](C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320816	0	51	0.0	-73.10	405.40	3.06	-70.04
CCCCC[N@H+](C)CCC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320823	0	59	0.0	-76.75	454.10	5.51	-71.24
CCCCC[N@@H+](C)CCC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320823	1	59	0.0	-73.24	453.63	5.45	-67.79
CC(NC(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320833	0	55	0.0	-74.07	428.43	3.91	-70.16
C=CCC(C)(C(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030320845	0	54	0.0	-68.33	404.53	4.14	-64.19
CC(NC(=O)C(O)CC[S+](C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320850	0	50	0.0	-78.53	414.38	1.68	-76.85
CC(NC(=O)C1(C)CC(O)C[N@@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320885	0	52	0.0	-78.28	398.86	0.19	-78.09
CC(NC(=O)C1CN(C)CC[N@H+](C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320900	0	56	0.0	-71.26	420.61	1.76	-69.50
CC(NC(=O)C1CN(C)CC[N@@H+](C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320900	1	56	0.0	-71.26	420.61	1.76	-69.50
CC(NC(=O)C(C)[N@@H+]1CCCC(O)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320901	0	55	0.0	-71.58	417.90	1.06	-70.52
CC(NC(=O)CC1(O)CCC[N@H+](C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320926	0	55	0.0	-72.30	416.94	2.39	-69.91
CC(NC(=O)CC1(O)CCC[N@@H+](C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320926	1	55	0.0	-72.30	416.94	2.39	-69.91
CC(NC(=O)CN1CC(C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320930	0	48	0.0	-70.14	380.30	3.04	-67.10
CC(NC(=O)C[NH+]1CC(C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320930	1	48	0.0	-70.14	380.30	3.04	-67.10
CC(NC(=O)CN(C)CCO)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320960	0	48	0.0	-71.21	377.12	-0.63	-71.84
CC(NC(=O)C[N@H+](C)CCO)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320960	1	48	0.0	-70.68	376.89	-0.64	-71.32
CC(NC(=O)C[N@@H+](C)CCO)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320960	1	48	0.0	-70.68	376.89	-0.64	-71.32
CC(NC(=O)C=C1CC2CCC(C1)[NH+]2C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320983	0	56	0.0	-72.27	422.66	4.91	-67.36
CC(NC(=O)C1C[N@@H+]2CCN1CCC2)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320988	0	54	0.0	-82.13	396.42	1.81	-80.32
CC(NC(=O)C1C[N@H+]2CCN1CCC2)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320988	1	54	0.0	-82.13	396.42	1.81	-80.32
CC[N@@H+]1CCCC(C(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030320997	0	54	0.0	-69.06	411.28	4.21	-64.85
CC[N@H+]1CCCC(C(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030320997	1	54	0.0	-69.06	411.28	4.21	-64.85
CC(CC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030320999	0	53	0.0	-74.88	406.72	4.01	-70.87
CC[N@H+](C)CC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321015	0	47	0.0	-69.89	366.76	2.62	-67.27
CC(NC(=O)C12CCC[N@@H+]1CCCC2)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321044	0	55	0.0	-65.31	404.78	4.46	-60.85
CC(NC(=O)C12CCC[N@H+]1CCCC2)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321044	1	55	0.0	-65.31	404.78	4.46	-60.85
CC(NC(=O)C12CCC[N@@H+]1CC=CC2)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321054	0	53	0.0	-72.55	396.07	4.47	-68.08
CC(NC(=O)C12CCC[N@H+]1CC=CC2)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321054	1	53	0.0	-72.55	396.07	4.47	-68.08
CC[N@H+](CC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030321082	0	51	0.0	-67.57	395.39	3.92	-63.65
CC[NH+](CC)CCC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321107	0	53	0.0	-74.09	407.50	3.91	-70.18
CC(NC(=O)CN1CC(C)(C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321141	0	51	0.0	-74.24	399.94	3.58	-70.66
CC(NC(=O)C[NH+]1CC(C)(C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321141	1	51	0.0	-74.24	399.94	3.58	-70.66
CC(NC(=O)CCCC[NH+]1CCCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321147	0	60	0.0	-71.88	455.57	5.93	-65.95
CC(NC(=O)C[N@@H+]1CCC(C)(O)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321182	0	52	0.0	-73.27	405.60	0.45	-72.82
CC(NC(=O)C=CC[NH+](C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321195	0	48	0.0	-77.29	385.49	3.24	-74.05
CC(OCC[NH+](C)C)C(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321222	0	54	0.0	-71.27	425.18	3.75	-67.52
CC(NC(=O)CCOCC[NH+](C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321233	0	54	0.0	-73.58	426.33	2.89	-70.69
COCCN(C)CC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321234	0	51	0.0	-70.73	399.15	1.77	-68.96
COCC[N@H+](C)CC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321234	1	51	0.0	-71.31	399.37	1.77	-69.54
COCC[N@@H+](C)CC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321234	1	51	0.0	-71.31	399.37	1.77	-69.54
COCCCC[N@H+](C)CCC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321266	0	60	0.0	-75.94	465.80	3.74	-72.20
COCCCC[N@@H+](C)CCC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321266	1	60	0.0	-75.94	465.80	3.74	-72.20
CC(NC(=O)C1([NH+](C)C)CCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321292	0	54	0.0	-78.17	400.28	3.96	-74.21
CC(CCC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030321295	0	53	0.0	-73.12	406.76	3.74	-69.38
CCN1CCC1C(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321305	0	48	0.0	-73.08	381.14	2.92	-70.16
CC[N@@H+]1CCC1C(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321305	1	48	0.0	-67.72	373.60	2.59	-65.13
CC[N@H+]1CCC1C(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321305	1	48	0.0	-67.72	373.60	2.59	-65.13
CC(C)[N@@H+]1CCCC(C(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030321318	0	57	0.0	-66.79	422.21	5.04	-61.75
CC(C)[N@H+]1CCCC(C(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030321318	1	57	0.0	-66.79	422.21	5.04	-61.75
CC(NC(=O)C[N@@H+]1CCCC1CO)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321333	0	52	0.0	-68.87	403.37	0.45	-68.42
CC(NC(=O)C1CC2CCCC[N@@H+]2C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321360	0	55	0.0	-68.56	417.08	4.71	-63.85
CC(NC(=O)C1CC2CCCC[N@H+]2C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321360	1	55	0.0	-68.56	417.08	4.71	-63.85
CC(NC(=O)C1(C)CC[NH+](C)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321369	0	54	0.0	-66.40	406.50	4.04	-62.36
C=CCC(C(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030321412	0	51	0.0	-70.62	392.86	3.60	-67.02
CC(NC(=O)C1CC(C)(C)C[N@@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321430	0	54	0.0	-66.62	414.90	4.20	-62.42
CC(NC(=O)CCCCC[NH+](C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321435	0	56	0.0	-74.57	436.39	4.92	-69.65
CC(NC(=O)C1C[N@@H+]2CCN1C(C)C2)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321483	0	54	0.0	-78.07	402.08	0.92	-77.15
CCCC(C(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030321484	0	53	0.0	-73.09	404.06	3.97	-69.12
CC(NC(=O)C(C)(C)[NH+](C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321489	0	50	0.0	-76.92	377.58	3.03	-73.89
CC[NH+](CC)CCSCC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321530	0	57	0.0	-76.26	452.13	5.29	-70.97
CC(NC(=O)C1CCCC[N@@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321542	0	51	0.0	-66.07	390.95	3.55	-62.52
CC(NC(=O)CC1=CC[N@H+](C)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321594	0	52	0.0	-70.78	408.67	4.33	-66.45
CC(NC(=O)CC1=CC[N@@H+](C)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321594	1	52	0.0	-70.78	408.67	4.33	-66.45
CC(NC(=O)CC1([NH+]2CCCC2)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321604	0	55	0.0	-70.44	414.65	4.73	-65.71
CC(NC(=O)C(C)(C)C1CCC[N@H+](C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321663	0	60	0.0	-72.84	431.60	4.67	-68.17
CC(NC(=O)C(C)(C)C1CCC[N@@H+](C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321663	1	60	0.0	-72.15	439.01	5.06	-67.09
CC(NC(=O)C1=CC=C(C[NH+](C)C)O1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321668	1	51	0.0	-79.08	414.11	3.82	-75.26
CC(NC(=O)C1=CC=C(C[NH+](C)C)N=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321674	0	53	0.0	-76.72	422.99	3.95	-72.77
CC(NC(=O)C=CC[NH+]1CCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321692	0	52	0.0	-72.92	411.34	4.37	-68.55
CC(NC(=O)C1CC[NH+](C2CC2)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321719	0	55	0.0	-71.85	422.88	5.01	-66.84
CC(NC(=O)C1([NH+](C)C)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321744	0	48	0.0	-77.02	372.31	3.64	-73.38
CC(NC(=O)CC[NH+]1CCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321748	0	51	0.0	-70.92	397.36	3.66	-67.26
CC(NC(=O)C1C[NH+]2CCN1CC2)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321795	0	51	0.0	-79.93	385.20	0.41	-79.52
CC(NC(=O)C12CC(C1)C[N@H+]2C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321806	1	49	0.0	-76.36	381.60	3.24	-73.12
CC(NC(=O)C[N@@H+]1CC2CCC1C2)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321822	0	52	0.0	-71.24	393.40	3.88	-67.36
CC(NC(=O)C[N@H+]1CC2CCC1C2)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321822	1	52	0.0	-67.86	396.10	4.12	-63.74
CC(C)[NH+]1CCC(CC(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030321834	0	60	0.0	-67.80	442.89	5.27	-62.53
CC(NC(=O)C=C1C[NH+]2CCC1CC2)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321885	0	53	0.0	-68.09	405.61	4.34	-63.75
CC(NC(=O)C[N@@H+]1CC2C=CC1C2)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321897	1	50	0.0	-70.36	388.50	3.84	-66.52
CC(NC(=O)C[N@H+]1CC2C=CC1C2)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321897	1	50	0.0	-72.35	388.74	3.96	-68.39
CC[NH+]1CCN(CC(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030321936	0	56	0.0	-72.14	426.10	2.17	-69.97
CC(C[NH+](C)C)C(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321962	0	50	0.0	-69.07	387.35	3.40	-65.67
CC(NC(=O)CC1CCCC[N@@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322064	0	54	0.0	-67.45	401.29	4.06	-63.39
CC(NC(=O)CC1CCCC[N@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322064	1	54	0.0	-75.71	408.82	4.16	-71.55
CC1=C2C=C(C(=O)NC(C)C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030322087	1	49	0.0	-73.21	401.38	6.03	-67.18
CC(NC(=O)C(C)[NH+]1CC(C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322088	1	51	0.0	-71.11	398.26	3.69	-67.42
CC(NC(=O)C[N@@H+]1CCC1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322092	1	48	0.0	-72.84	380.97	3.07	-69.77
CC(NC(=O)C[N@H+]1CCC1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322092	1	48	0.0	-71.82	375.37	2.85	-68.97
CC(NC(=O)CC(O)C[NH+](C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322097	0	51	0.0	-78.11	402.17	1.10	-77.01
CC(NC(=O)C1C[N@H+](C)CC(C)O1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322135	1	52	0.0	-81.27	407.84	3.16	-78.11
CC(NC(=O)C1C[N@@H+](C)CC(C)O1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322135	1	52	0.0	-79.83	401.21	3.18	-76.65
CC(NC(=O)CC[NH+]1CCC(O)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322147	0	55	0.0	-74.82	423.67	0.99	-73.83
CCC[N@@H+]1CCCCC1C(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322150	0	57	0.0	-70.19	430.71	5.03	-65.16
CCC[N@H+]1CCCCC1C(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322150	1	57	0.0	-66.76	420.86	4.76	-62.00
CC[NH+]1CCN(CCC(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030322155	0	59	0.0	-71.59	446.48	2.45	-69.14
CCN1CC[NH+](CCC(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030322155	1	59	0.0	-76.01	448.14	2.66	-73.35
CC(NC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322158	0	58	0.0	-69.98	419.43	4.70	-65.28
CC(NC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322158	1	58	0.0	-66.64	424.27	5.49	-61.15
CC(C)C[NH+]1CCC(C(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030322206	0	60	0.0	-74.10	450.21	5.69	-68.41
CC(NC(=O)CN1CCC([NH+](C)C)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322232	0	59	0.0	-73.20	442.87	2.71	-70.49
CC(NC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322254	0	51	0.0	-72.18	398.90	3.75	-68.43
CC(CC[NH+](C)C)C(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322262	0	53	0.0	-74.24	409.57	3.90	-70.34
CC(NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322296	0	55	0.0	-73.04	420.52	1.22	-71.82
CC(NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322296	1	55	0.0	-69.85	420.04	1.43	-68.42
C#CC[N@H+]1CCCCC1C(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322305	1	53	0.0	-70.96	416.80	4.82	-66.14
C#CC[N@@H+]1CCCCC1C(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322305	1	53	0.0	-66.87	407.10	4.60	-62.27
CC(NC(=O)CN1CC[NH+](C)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322311	1	53	0.0	-73.44	408.55	1.52	-71.92
CC[NH+]1CCN(CC(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030322320	0	56	0.0	-72.14	426.10	2.17	-69.97
CC(NC(=O)CSC(N)=[NH2+])C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322352	0	42	0.0	-75.54	358.05	-1.13	-76.67
CC[N@@H+]1CCOCC1CC(=O)NC(C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322400	0	55	0.0	-73.29	417.15	2.49	-70.80
CC(NC(=O)C1(CC[NH+](C)C)CCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322419	0	60	0.0	-77.59	451.45	5.60	-71.99
CC(NC(=O)CC[NH+]1C(C)CCCC1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322421	0	60	0.0	-71.90	440.15	5.14	-66.76
CC(NC(=O)C1CCC([NH+](C)C)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322424	0	57	0.0	-74.87	427.85	4.77	-70.10
CC(NC(=O)C1(CC[NH+](C)C)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322425	0	54	0.0	-68.62	424.02	4.51	-64.11
CC(NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322429	0	57	0.0	-70.27	421.64	4.70	-65.57
CC(NC(=O)CC1CC=CC[N@@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322430	0	52	0.0	-72.54	400.26	4.01	-68.53
CC(NC(=O)CC1CC=CC[N@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322430	1	52	0.0	-72.54	400.26	4.01	-68.53
CC(NC(=O)[C@@H](C)OCC[NH+](C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322460	0	54	0.0	-71.26	425.19	3.75	-67.51
CC(NC(=O)C1CC2CCC(C1)[NH+]2C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322494	0	55	0.0	-65.50	384.19	4.06	-61.44
CC(NC(=O)C(C)[NH+]1CCSCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322647	1	52	0.0	-70.53	404.41	3.79	-66.74
CCC1C[NH+](CC(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030322650	1	51	0.0	-74.78	402.19	3.87	-70.91
CC(NC(=O)C1C[NH+](C2CCOCC2)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322652	0	56	0.0	-79.46	432.82	2.97	-76.49
CC(NC(=O)C1([NH+]2CCCC2)CCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322654	0	55	0.0	-67.90	407.62	4.65	-63.25
CC(NC(=O)[C@@H]1CCC[N@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322665	1	48	0.0	-66.93	375.16	3.03	-63.90
CC(NC(=O)CC[N@H+]1CCC(F)C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322675	1	51	0.0	-74.25	403.45	3.78	-70.47
COC1C[N@@H+](C)C(C)(C(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030322684	1	55	0.0	-73.27	418.64	2.57	-70.70
CC(NC(=O)CC[NH+]1CCCCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322697	0	57	0.0	-72.33	423.21	4.60	-67.73
CC(NC(=O)C[NH+]1CCCCC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322699	0	51	0.0	-69.70	391.13	3.84	-65.86
CC(NC(=O)C1CC[N@H+](C)C1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322709	0	51	0.0	-74.82	386.78	3.21	-71.61
CC(NC(=O)C1CC[N@@H+](C)C1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322709	1	51	0.0	-70.90	392.11	3.21	-67.69
CC(NC(=O)CCC1CCCC[N@@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322712	0	57	0.0	-72.06	430.92	4.89	-67.17
CC(NC(=O)CCC1CCCC[N@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322712	1	57	0.0	-70.05	430.42	4.94	-65.11
CC(NC(=O)C1CC[N@@H+]2CCOCC12)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322748	0	53	0.0	-68.57	404.38	2.31	-66.26
CC(NC(=O)C1CC[N@H+]2CCOCC12)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322748	1	53	0.0	-72.69	405.91	2.17	-70.52
CC1=[NH+]C=C2C=CC(C(=O)NC(C)C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300030322756	0	49	0.0	-68.03	400.62	5.23	-62.80
CC(NC(=O)CC1COCCN1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322776	0	52	0.0	-79.67	400.05	1.77	-77.90
CC(NC(=O)CC1COCC[N@@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322776	1	52	0.0	-66.07	392.16	1.61	-64.46
CC(NC(=O)CC1COCC[N@H+]1C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322776	1	52	0.0	-79.67	400.05	1.77	-77.90
CC1=C(C)[NH+]=C(CCC(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030322787	1	52	0.0	-65.87	419.26	3.22	-62.65
CC(NC(=O)C1CCN1CC1=CC=CC=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322802	0	55	0.0	-72.81	440.57	5.94	-66.87
CC(NC(=O)C1CC[N@@H+]1CC1=CC=CC=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322802	1	55	0.0	-76.97	441.05	6.04	-70.93
CC(NC(=O)C1CC[N@H+]1CC1=CC=CC=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322802	1	55	0.0	-72.81	440.57	5.94	-66.87
CC(C)C[N@@H+]1CCCC(C(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030322806	0	60	0.0	-73.32	450.99	5.80	-67.52
CC(C)C[N@H+]1CCCC(C(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030322806	1	60	0.0	-65.36	444.23	5.93	-59.43
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCC[N@@H+]2C)C1	REAL300030322973	0	48	0.0	-70.33	374.54	2.99	-67.34
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCC[N@H+]2C)C1	REAL300030322973	1	48	0.0	-67.06	372.34	2.90	-64.16
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2C[N@H+](C)CCO2)C1	REAL300030322999	1	49	0.0	-66.68	384.83	2.38	-64.30
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2C[N@@H+](C)CCO2)C1	REAL300030322999	1	49	0.0	-73.94	377.48	2.20	-71.74
CC1=[NH+]C=CN1CCCC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030323170	1	52	0.0	-68.55	422.82	5.00	-63.55
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300030323174	1	58	0.0	-75.23	450.11	3.68	-71.55
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=C(C[NH+](C)C)C=C2)C1	REAL300030323180	0	54	0.0	-87.28	424.21	5.16	-82.12
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC[NH+]2CCOCC2)C1	REAL300030323181	1	52	0.0	-78.38	407.70	2.20	-76.18
CCC[NH+](CCC)CCCC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030323206	0	62	0.0	-71.75	474.41	6.30	-65.45
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300030323223	0	52	0.0	-65.42	388.29	3.50	-61.92
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300030323241	1	46	0.0	-80.70	387.08	5.57	-75.13
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCCC([NH+](C)C)C2)C1	REAL300030323315	0	57	0.0	-68.00	419.53	4.49	-63.51
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2CC[N@H+](C)C2)C1	REAL300030323320	0	51	0.0	-78.07	398.81	3.79	-74.28
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2CC[N@@H+](C)C2)C1	REAL300030323320	1	51	0.0	-73.46	398.49	3.75	-69.71
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=C[NH+]=CC=C2N(C)C)C1	REAL300030323334	0	50	0.0	-75.13	401.81	2.08	-73.05
CCC(C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030323340	0	50	0.0	-68.96	382.22	3.15	-65.81
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)C1	REAL300030323349	1	49	0.0	-88.53	408.58	3.68	-84.85
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCC3CC(C)C[N@@H+]3C2)C1	REAL300030323399	0	58	0.0	-56.36	430.00	5.42	-50.94
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCC3CC(C)C[N@H+]3C2)C1	REAL300030323399	1	58	0.0	-72.87	439.48	5.43	-67.44
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCCC[NH+](C)C)C1	REAL300030323432	0	53	0.0	-73.28	417.21	4.22	-69.06
CC(C)C(C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030323456	0	53	0.0	-68.38	394.54	3.58	-64.80
CCC[N@H+](C)CCC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030323458	0	53	0.0	-72.65	413.50	4.04	-68.61
CCC[N@@H+](C)CCC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030323458	1	53	0.0	-72.67	413.50	4.03	-68.64
CCC[N@H+](C)CC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030323464	0	50	0.0	-72.79	391.71	3.58	-69.21
CCC[N@@H+](C)CC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030323464	1	50	0.0	-72.77	391.71	3.59	-69.18
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300030323494	0	52	0.0	-61.85	383.31	2.84	-59.01
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300030323494	1	52	0.0	-82.59	383.72	2.98	-79.61
CCCCCC[N@H+](C)CC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030323543	0	59	0.0	-74.02	456.21	5.95	-68.07
CCCCCC[N@@H+](C)CC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030323543	1	59	0.0	-74.02	456.20	5.94	-68.08
CC[NH+](CC)C(C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300030323552	0	59	0.0	-62.70	426.27	4.58	-58.12
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[NH+]2CCC(C)CC2)C1	REAL300030323594	0	54	0.0	-70.21	414.82	4.55	-65.66
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300030323625	1	49	0.0	-81.85	405.38	3.19	-78.66
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)COC2CC[NH+](C)CC2)C1	REAL300030323634	0	55	0.0	-76.90	431.80	4.22	-72.68
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300030323704	0	55	0.0	-73.22	416.44	4.71	-68.51
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300030323704	1	55	0.0	-71.39	415.84	4.61	-66.78
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2(C[NH+](C)C)CC2)C1	REAL300030323718	0	51	0.0	-78.83	397.93	3.65	-75.18
CC1=[NH+]C=C2CCC(C(=O)N3CCC(C(C)NC(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300030323719	1	53	0.0	-69.69	418.86	4.76	-64.93
CC(C)[NH+]1CCC(C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030323731	0	57	0.0	-76.80	427.40	4.70	-72.10
CC[N@H+](C)CCC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030323770	0	50	0.0	-71.96	392.00	3.30	-68.66
CC[N@@H+](C)CCC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030323770	1	50	0.0	-71.87	391.95	3.31	-68.56
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1	REAL300030323803	0	57	0.0	-66.44	411.93	4.83	-61.61
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300030323822	0	52	0.0	-76.37	389.14	3.60	-72.77
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC[NH+](C)CC2)C1	REAL300030323917	0	51	0.0	-64.68	395.91	3.68	-61.00
CC(C)[C@H](C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030323940	0	53	0.0	-73.06	396.11	3.70	-69.36
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1	REAL300030324034	0	58	0.0	-65.37	442.52	5.72	-59.65
CC[NH+](CC)CC(F)C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030324081	0	53	0.0	-70.43	412.43	3.91	-66.52
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=C(C[NH+](C)C)C=CS2)C1	REAL300030324082	0	51	0.0	-63.36	411.29	4.51	-58.85
CC(C)C[N@@H+]1CCC(C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030324128	0	57	0.0	-71.14	434.61	4.98	-66.16
CC(C)C[N@H+]1CCC(C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030324128	1	57	0.0	-69.97	432.54	4.92	-65.05
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2([NH+](C)C)CCC2)C1	REAL300030324132	0	51	0.0	-71.42	378.96	3.05	-68.37
CCC(C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030324169	0	56	0.0	-63.77	413.15	4.13	-59.64
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@@H+]2CCCC2C)C1	REAL300030324200	0	51	0.0	-66.99	397.30	3.89	-63.10
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@H+]2CCCC2C)C1	REAL300030324200	1	51	0.0	-66.79	398.10	3.76	-63.03
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030324288	1	55	0.0	-65.23	437.31	5.23	-60.00
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(C)[NH+]2CCCCCC2)C1	REAL300030324295	0	57	0.0	-66.18	419.63	4.45	-61.73
CC(C)[N@@H+]1CCCCC1C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030324297	0	57	0.0	-64.46	415.10	4.35	-60.11
CC(C)[N@H+]1CCCCC1C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030324297	1	57	0.0	-63.44	422.55	4.55	-58.89
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030324331	0	54	0.0	-65.56	406.79	3.97	-61.59
CC(C)[N@H+]1CCCC1C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030324331	1	54	0.0	-65.39	407.16	4.06	-61.33
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(CN2C=CC=N2)[NH+](C)C)C1	REAL300030324337	1	54	0.0	-75.91	421.32	3.76	-72.15
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030324342	0	57	0.0	-62.66	421.03	4.61	-58.05
CC(C)[N@H+]1CCCC1CC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030324342	1	57	0.0	-72.95	431.39	4.79	-68.16
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1	REAL300030324343	0	58	0.0	-72.69	427.18	5.73	-66.96
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCC[N@H+]2C2CCCC2)C1	REAL300030324343	1	58	0.0	-67.77	426.20	5.53	-62.24
CC(C)[C@@H](C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030324364	0	53	0.0	-72.12	394.53	3.68	-68.44
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@@H+]2CCC(C)C2)C1	REAL300030324398	0	51	0.0	-69.12	398.17	3.85	-65.27
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@H+]2CCC(C)C2)C1	REAL300030324398	1	51	0.0	-68.96	397.18	3.73	-65.23
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2(F)CC[N@@H+](C(C)(C)C)C2)C1	REAL300030324399	0	57	0.0	-66.19	427.77	4.14	-62.05
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2(F)CC[N@H+](C(C)(C)C)C2)C1	REAL300030324399	1	57	0.0	-66.53	428.58	4.22	-62.31
CC1=[NH+]C=C2CC(C(=O)N3CCC(C(C)NC(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300030324401	1	53	0.0	-57.79	420.93	4.88	-52.91
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1	REAL300030324404	0	54	0.0	-69.26	417.63	4.35	-64.91
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1	REAL300030324404	1	54	0.0	-71.98	417.42	4.39	-67.59
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1	REAL300030324405	0	56	0.0	-69.70	421.63	4.61	-65.09
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1	REAL300030324405	1	56	0.0	-72.82	419.92	4.61	-68.21
CC[C@@H](C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030324416	0	50	0.0	-71.19	380.06	3.12	-68.07
CC(COCC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300030324424	0	58	0.0	-69.19	450.99	4.92	-64.27
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCN(C)C2=CC=[NH+]C=C2)C1	REAL300030324586	0	53	0.0	-68.51	426.59	3.76	-64.75
CC1=[NH+]C=CN1CC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030324712	1	46	0.0	-69.78	381.89	3.77	-66.01
CC(C[NH+]1CCOCC1)C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030324714	0	55	0.0	-72.93	419.49	2.53	-70.40
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCC[NH+]2CCCCC2)C1	REAL300030324736	0	57	0.0	-71.66	437.35	5.33	-66.33
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=NOC(C[NH+](C)C)=C2)C1	REAL300030324757	1	50	0.0	-78.55	407.59	3.25	-75.30
CC1=C(C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300030324759	0	49	0.0	-73.09	403.90	5.70	-67.39
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030324808	1	52	0.0	-68.22	418.09	4.88	-63.34
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300030324863	0	55	0.0	-68.86	402.83	4.04	-64.82
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300030324863	1	55	0.0	-69.05	404.43	4.20	-64.85
CC[N@@H+]1CCOC(C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030324900	1	52	0.0	-81.11	402.60	3.05	-78.06
CC[N@H+]1CCOC(C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030324900	1	52	0.0	-77.79	402.14	2.99	-74.80
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300030324978	0	46	0.0	-78.58	386.97	5.56	-73.02
CC1=C[NH+]=CN1CC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030324983	1	46	0.0	-72.27	381.20	4.48	-67.79
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CN(CC[NH+](C)C)N=C2)C1	REAL300030324988	0	54	0.0	-83.42	430.39	3.23	-80.19
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=NN(CC[NH+](C)C)C=C2)C1	REAL300030325003	0	54	0.0	-90.82	433.90	3.82	-87.00
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	REAL300030325010	0	51	0.0	-78.91	387.79	3.09	-75.82
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	REAL300030325010	1	51	0.0	-72.29	393.83	3.33	-68.96
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030325013	1	55	0.0	-65.50	437.80	5.29	-60.21
CC[C@@H]1[C@@H](C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030325016	0	54	0.0	-72.25	403.80	3.56	-68.69
CC[C@@H]1[C@@H](C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030325016	1	54	0.0	-71.29	409.74	3.95	-67.34
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[NH+]2C(C)CCC2C)C1	REAL300030325037	0	54	0.0	-66.28	409.06	4.07	-62.21
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCC[NH+]2CCCC2)C1	REAL300030325044	0	54	0.0	-71.37	420.09	4.51	-66.86
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=CC(C[NH+](C)C)=C2)C1	REAL300030325045	0	54	0.0	-78.36	423.88	5.07	-73.29
C#CC[NH+]1CCC(C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030325053	0	53	0.0	-80.59	421.91	4.94	-75.65
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC[NH+]2CCCCC2)C1	REAL300030325054	0	54	0.0	-71.26	415.90	4.51	-66.75
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=CC=C2C[NH+](C)C)C1	REAL300030325059	0	54	0.0	-64.57	424.90	5.33	-59.24
CC[N@@H+]1CCCCC1C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030325068	0	54	0.0	-68.45	402.20	4.00	-64.45
CC[N@H+]1CCCCC1C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030325068	1	54	0.0	-65.28	410.24	4.22	-61.06
CC(C)C(C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300030325069	0	60	0.0	-66.36	436.93	5.71	-60.65
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(C2=CC=CC=C2)[NH+](C)C)C1	REAL300030325072	1	54	0.0	-67.94	419.63	5.25	-62.69
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CN2C=[NH+]C3=C2CCCC3)C1	REAL300030325080	1	53	0.0	-71.40	424.13	6.25	-65.15
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1	REAL300030325125	0	60	0.0	-78.44	425.71	5.31	-73.13
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1	REAL300030325131	0	60	0.0	-72.59	450.30	5.68	-66.91
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1	REAL300030325131	1	60	0.0	-72.67	450.26	5.67	-67.00
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1	REAL300030325134	0	57	0.0	-72.93	416.01	4.58	-68.35
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@H+](C)C2CCC2)C1	REAL300030325371	0	51	0.0	-70.67	398.60	4.16	-66.51
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@@H+](C)C2CCC2)C1	REAL300030325371	1	51	0.0	-70.46	398.65	4.14	-66.32
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(C)[NH+]2C(C)CCC2C)C1	REAL300030325404	0	57	0.0	-65.19	420.28	4.44	-60.75
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300030325423	0	57	0.0	-72.24	441.56	5.29	-66.95
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@H+](C)CC2=CC=CC=C2)C1	REAL300030325426	1	54	0.0	-77.41	429.13	5.78	-71.63
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)C1	REAL300030325426	1	54	0.0	-77.48	429.17	5.78	-71.70
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC[NH+](C)CC2)C1	REAL300030325443	0	51	0.0	-64.68	395.91	3.68	-61.00
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1	REAL300030325514	0	48	0.0	-67.24	373.93	2.91	-64.33
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1	REAL300030325514	1	48	0.0	-69.27	370.76	2.61	-66.66
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030325539	1	50	0.0	-67.30	397.41	3.82	-63.48
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030325539	1	50	0.0	-70.62	400.33	4.24	-66.38
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCC2CCC[N@@H+]2C)C1	REAL300030325549	0	54	0.0	-73.67	414.04	4.25	-69.42
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCC2CCC[N@H+]2C)C1	REAL300030325549	1	54	0.0	-78.68	419.90	4.64	-74.04
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300030325562	0	55	0.0	-71.60	398.66	3.78	-67.82
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300030325570	0	55	0.0	-68.14	416.14	4.96	-63.18
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300030325570	1	55	0.0	-64.81	415.68	4.78	-60.03
CCC[N@@H+]1CCCC(C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030325667	0	57	0.0	-66.67	427.18	5.18	-61.49
CCC[N@H+]1CCCC(C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030325667	1	57	0.0	-65.98	425.32	5.12	-60.86
CC(C)[N@@H+]1CCOC(C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030325690	1	55	0.0	-72.90	412.18	3.39	-69.51
CC(C)[N@H+]1CCOC(C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030325690	1	55	0.0	-75.73	418.92	3.52	-72.21
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1	REAL300030325709	0	58	0.0	-70.83	421.07	2.60	-68.23
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300030325729	0	51	0.0	-69.27	392.99	3.75	-65.52
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCCC[N@H+]2C)C1	REAL300030325729	1	51	0.0	-66.80	392.51	3.60	-63.20
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030325761	0	57	0.0	-66.41	432.48	5.13	-61.28
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030325761	1	57	0.0	-70.98	429.07	4.61	-66.37
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300030325782	0	55	0.0	-71.44	425.65	1.23	-70.21
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C=C2CC3CCC(C2)[NH+]3C)C1	REAL300030325820	0	56	0.0	-73.64	424.25	5.00	-68.64
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC[N@H+](C)C2C)C1	REAL300030325841	0	51	0.0	-75.23	392.71	3.61	-71.62
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC[N@@H+](C)C2C)C1	REAL300030325841	1	51	0.0	-70.84	392.49	3.62	-67.22
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCC2CCCC[N@@H+]2C)C1	REAL300030325845	0	57	0.0	-78.88	426.34	4.89	-73.99
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCC2CCCC[N@H+]2C)C1	REAL300030325845	1	57	0.0	-73.69	426.24	4.89	-68.80
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC3=C(CCC3)[NH+]=C2N)C1	REAL300030325886	1	51	0.0	-66.48	405.44	2.80	-63.68
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC[N@@H+]2C(C)(C)C)C1	REAL300030325971	0	54	0.0	-66.64	413.58	3.80	-62.84
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC[N@H+]2C(C)(C)C)C1	REAL300030325971	1	54	0.0	-69.56	393.39	3.48	-66.08
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCN(C3=CC=[NH+]C=C3)C2)C1	REAL300030325991	0	54	0.0	-71.96	424.06	2.46	-69.50
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300030325996	0	47	0.0	-71.10	368.05	2.44	-68.66
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=NC(C[NH+](C)C)=C2)C1	REAL300030326017	1	53	0.0	-87.17	420.40	3.34	-83.83
C=CCC(C)(C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030326023	0	54	0.0	-64.58	396.77	3.64	-60.94
CC[NH+](CC)CCSCC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030326056	0	57	0.0	-79.55	450.40	5.22	-74.33
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=C(N)C3=CC=CC=C3[NH+]=C2)C1	REAL300030326057	1	50	0.0	-69.50	402.97	2.22	-67.28
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC[NH+]2CCCC2)C1	REAL300030326062	0	51	0.0	-71.39	400.23	3.81	-67.58
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@H+](C)CCO)C1	REAL300030326072	1	48	0.0	-70.83	379.93	-0.51	-71.34
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@@H+](C)CCO)C1	REAL300030326072	1	48	0.0	-73.60	380.33	-0.34	-73.94
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300030326117	0	54	0.0	-75.22	398.49	1.29	-73.93
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300030326117	1	54	0.0	-81.07	398.81	1.39	-79.68
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(C)[NH+]2CCSCC2)C1	REAL300030326149	1	52	0.0	-70.50	409.59	3.98	-66.52
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2=CC[N@H+](C)CC2)C1	REAL300030326201	0	52	0.0	-71.26	403.35	4.24	-67.02
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2=CC[N@@H+](C)CC2)C1	REAL300030326201	1	52	0.0	-68.98	411.32	4.48	-64.50
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(O)CC[S+](C)C)C1	REAL300030326219	0	50	0.0	-77.77	411.89	1.46	-76.31
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2(C)CC(O)C[N@@H+]2C)C1	REAL300030326245	0	52	0.0	-75.53	389.63	-0.36	-75.89
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2(C)CC(O)C[N@H+]2C)C1	REAL300030326245	1	52	0.0	-69.45	393.24	-0.37	-69.82
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CN(C)CC[N@H+](C)C2)C1	REAL300030326261	0	56	0.0	-69.90	422.41	1.94	-67.96
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)C1	REAL300030326261	1	56	0.0	-63.53	421.50	2.02	-61.51
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(C)[N@@H+]2CCCC(O)C2)C1	REAL300030326262	0	55	0.0	-72.60	422.22	0.98	-71.62
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(C)[N@H+]2CCCC(O)C2)C1	REAL300030326262	1	55	0.0	-72.27	419.00	1.23	-71.04
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=C(N)[NH+]=CC3=C2CCC3)C1	REAL300030326298	0	51	0.0	-73.23	412.99	2.94	-70.29
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2(O)CCC[N@H+](C)C2)C1	REAL300030326305	0	55	0.0	-70.43	409.77	2.40	-68.03
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2(O)CCC[N@@H+](C)C2)C1	REAL300030326305	1	55	0.0	-73.80	419.88	2.61	-71.19
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[NH+]2CC(C)C2)C1	REAL300030326312	1	48	0.0	-73.70	382.36	3.26	-70.44
CC[N@@H+]1CCCC(C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030326320	0	54	0.0	-67.88	405.37	4.36	-63.52
CC[N@H+]1CCCC(C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030326320	1	54	0.0	-66.67	405.38	4.37	-62.30
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2=CC=C[NH+]=C2N)C1	REAL300030326332	0	47	0.0	-69.27	386.72	2.01	-67.26
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300030326348	0	52	0.0	-65.26	404.94	4.36	-60.90
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300030326348	1	52	0.0	-71.94	401.36	3.88	-68.06
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300030326405	0	52	0.0	-73.74	412.21	4.37	-69.37
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300030326434	0	55	0.0	-77.29	420.94	4.94	-72.35
CC[N@H+](C)CC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030326490	0	47	0.0	-69.75	369.58	2.74	-67.01
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CN2CC3C=CC2C3)C1	REAL300030326564	0	50	0.0	-66.49	390.97	3.98	-62.51
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300030326564	1	50	0.0	-68.74	391.72	4.00	-64.74
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300030326564	1	50	0.0	-68.74	391.72	4.00	-64.74
CC1=CC=C(NCCC(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)N=C1	REAL300030326589	0	53	0.0	-70.98	431.30	3.59	-67.39
CC1=CC=C(NCCC(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)[NH+]=C1	REAL300030326589	1	53	0.0	-70.98	431.30	3.59	-67.39
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300030326725	0	55	0.0	-64.84	399.44	3.87	-60.97
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C23CCC[N@H+]2CCCC3)C1	REAL300030326725	1	55	0.0	-64.84	399.44	3.87	-60.97
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300030326737	0	53	0.0	-68.18	392.33	3.72	-64.46
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300030326737	1	53	0.0	-68.18	392.33	3.72	-64.46
CC(OCC[NH+](C)C)C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030326750	0	54	0.0	-71.38	422.72	3.65	-67.73
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCOCC[NH+](C)C)C1	REAL300030326762	0	54	0.0	-71.02	428.67	2.89	-68.13
COCCN(C)CC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030326764	0	51	0.0	-73.34	402.58	2.07	-71.27
COCC[N@H+](C)CC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030326764	1	51	0.0	-70.93	402.19	1.89	-69.04
COCC[N@@H+](C)CC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030326764	1	51	0.0	-70.93	402.19	1.89	-69.04
CC(CCC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030326771	0	53	0.0	-74.44	405.49	3.80	-70.64
CC[N@H+](CC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030326810	0	51	0.0	-67.09	397.95	4.07	-63.02
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2C[N@@H+]3CCN2C(C)C3)C1	REAL300030326830	0	54	0.0	-70.67	392.67	2.77	-67.90
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C23CC(C2)C[N@@H+]3C)C1	REAL300030326868	0	49	0.0	-70.78	375.55	3.27	-67.51
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C23CC(C2)C[N@H+]3C)C1	REAL300030326868	1	49	0.0	-74.07	378.51	3.25	-70.82
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030326879	1	51	0.0	-70.07	416.60	2.75	-67.32
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300030326888	0	52	0.0	-70.80	398.94	4.24	-66.56
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300030326888	1	52	0.0	-69.82	396.53	4.11	-65.71
CC(C)[NH+]1CCC(CC(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030326904	0	60	0.0	-68.50	445.71	5.42	-63.08
CC(C[NH+](C)C)C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030326920	0	50	0.0	-72.11	386.55	3.07	-69.04
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2([NH+](C)C)CC2)C1	REAL300030326940	0	48	0.0	-72.27	372.70	2.77	-69.50
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)[C@@H](C)[NH+](C)C)C1	REAL300030326972	0	47	0.0	-71.38	369.53	2.54	-68.84
CC[N@@H+]1CCC1C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030326984	0	48	0.0	-73.23	384.02	3.11	-70.12
CC[N@H+]1CCC1C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030326984	1	48	0.0	-72.93	383.94	3.13	-69.80
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030327000	0	57	0.0	-66.38	422.03	4.88	-61.50
CC(C)[N@H+]1CCCC(C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030327000	1	57	0.0	-68.97	430.07	4.81	-64.16
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030327025	0	56	0.0	-67.09	416.32	2.52	-64.57
C#CC[N@H+]1CCCCC1C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030327080	1	53	0.0	-72.88	409.11	4.49	-68.39
C#CC[N@@H+]1CCCCC1C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030327080	1	53	0.0	-68.95	409.73	4.55	-64.40
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030327084	1	50	0.0	-68.57	401.37	2.67	-65.90
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=C[NH+]=CC=C2N)C1	REAL300030327085	0	44	0.0	-76.23	360.22	0.02	-76.21
CCCC(C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030327097	0	53	0.0	-69.38	402.11	3.82	-65.56
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(C)(C)[NH+](C)C)C1	REAL300030327105	0	50	0.0	-69.91	370.92	2.63	-67.28
CC(CC[NH+](C)C)C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030327131	0	53	0.0	-73.13	412.53	3.82	-69.31
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1	REAL300030327199	0	58	0.0	-81.55	422.72	4.61	-76.94
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1	REAL300030327199	1	58	0.0	-64.38	426.46	5.45	-58.93
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300030327239	0	53	0.0	-74.05	406.70	4.64	-69.41
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300030327239	1	53	0.0	-70.73	396.31	5.27	-65.46
COCCCC[N@H+](C)CCC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030327290	0	60	0.0	-76.45	468.67	3.89	-72.56
COCCCC[N@@H+](C)CCC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030327290	1	60	0.0	-76.45	468.62	3.89	-72.56
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC(C)(C)C[N@@H+]2C)C1	REAL300030327302	0	54	0.0	-69.08	404.83	3.72	-65.36
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC(C)(C)C[N@H+]2C)C1	REAL300030327302	1	54	0.0	-67.70	410.43	3.72	-63.98
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCCCC[NH+](C)C)C1	REAL300030327308	0	56	0.0	-72.74	438.71	5.00	-67.74
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC[NH+]2CCC(O)CC2)C1	REAL300030327313	0	55	0.0	-74.97	426.49	1.13	-73.84
CCC[N@@H+]1CCCCC1C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030327319	0	57	0.0	-65.60	432.12	5.05	-60.55
CCC[N@H+]1CCCCC1C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030327319	1	57	0.0	-68.53	423.57	4.70	-63.83
CC[NH+]1CCN(CCC(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030327329	0	59	0.0	-77.28	451.12	2.86	-74.42
CCN1CC[NH+](CCC(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030327329	1	59	0.0	-72.69	450.46	2.74	-69.95
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CN2CC[NH+](C)CC2)C1	REAL300030327333	1	53	0.0	-74.55	411.71	1.63	-72.92
CC(C)C[NH+]1CCC(C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030327472	0	60	0.0	-63.37	452.34	5.84	-57.53
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2C[N@H+](C)CC(C)O2)C1	REAL300030327475	1	52	0.0	-74.31	398.45	2.89	-71.42
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2C[N@@H+](C)CC(C)O2)C1	REAL300030327475	1	52	0.0	-84.31	390.92	2.53	-81.78
CCC1CCC[N@H+](CC(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030327514	0	57	0.0	-69.91	426.11	5.20	-64.71
CCC1CCC[N@@H+](CC(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030327514	1	57	0.0	-71.22	425.21	5.00	-66.22
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=C(C[NH+](C)C)N2)C1	REAL300030327525	0	52	0.0	-90.01	413.03	3.62	-86.39
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300030327550	0	49	0.0	-72.89	387.03	4.01	-68.88
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2([NH+]3CCCC3)CC2)C1	REAL300030327570	0	55	0.0	-71.23	417.08	4.87	-66.36
CC([NH2+]C1(CO)CCCC1)C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030327590	0	58	0.0	-69.75	426.93	-0.14	-69.89
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300030327625	0	51	0.0	-69.27	392.99	3.75	-65.52
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCCC[N@H+]2C)C1	REAL300030327625	1	51	0.0	-66.80	392.51	3.60	-63.20
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC[N@@H+]2CC2=CC=CC=C2)C1	REAL300030327633	1	55	0.0	-69.37	427.32	5.50	-63.87
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC[N@H+]2CC2=CC=CC=C2)C1	REAL300030327633	1	55	0.0	-77.75	443.87	6.11	-71.64
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030327640	0	60	0.0	-73.31	442.75	5.62	-67.69
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030327640	1	60	0.0	-66.53	442.90	5.83	-60.70
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CN2CCC([NH+](C)C)CC2)C1	REAL300030327710	0	59	0.0	-74.45	445.77	2.86	-71.59
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C=C2CC[N@H+](C)C2)C1	REAL300030327790	0	49	0.0	-76.81	382.22	3.42	-73.39
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C=C2CC[N@@H+](C)C2)C1	REAL300030327790	1	49	0.0	-74.60	390.50	3.63	-70.97
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300030327797	0	47	0.0	-70.36	387.57	1.33	-69.03
CC[NH+]1CCN(CC(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030327869	0	56	0.0	-73.33	429.19	2.33	-71.00
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C=C2C[NH+]3CCC2CC3)C1	REAL300030327872	0	53	0.0	-67.84	408.07	4.48	-63.36
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2([NH+](C)C)CCCC2)C1	REAL300030327926	0	54	0.0	-67.37	386.00	3.29	-64.08
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)C1	REAL300030327943	0	55	0.0	-69.85	415.22	1.11	-68.74
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)C1	REAL300030327943	1	55	0.0	-67.70	423.05	1.56	-66.14
CCC1C[NH+](CC(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030327951	0	51	0.0	-70.96	404.60	3.94	-67.02
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)C1	REAL300030327955	0	56	0.0	-75.53	435.38	3.07	-72.46
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300030327957	0	55	0.0	-68.43	409.12	4.33	-64.10
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1	REAL300030327974	0	48	0.0	-68.22	370.82	2.59	-65.63
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1	REAL300030327974	1	48	0.0	-66.73	373.39	2.80	-63.93
CC[N@@H+]1CCOCC1CC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030328016	0	55	0.0	-76.61	415.29	2.48	-74.13
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2C[NH+](C3CCCCC3)C2)C1	REAL300030328044	0	58	0.0	-70.78	443.14	5.41	-65.37
COC1C[N@@H+]2CCCC2(C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030328065	0	56	0.0	-65.14	421.11	2.38	-62.76
COC1C[N@H+]2CCCC2(C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030328065	1	56	0.0	-65.14	421.11	2.38	-62.76
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=C3NC(N)=NC3=C2)C1	REAL300030328141	0	48	0.0	-71.53	390.42	2.98	-68.55
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=C3NC(N)=[NH+]C3=C2)C1	REAL300030328141	1	48	0.0	-71.53	390.42	2.98	-68.55
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C1	REAL300030328194	0	51	0.0	-72.02	401.55	3.82	-68.20
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2(CC[NH+](C)C)CCCC2)C1	REAL300030328207	0	60	0.0	-76.20	443.14	5.14	-71.06
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC[NH+]2C(C)CCCC2C)C1	REAL300030328209	0	60	0.0	-68.47	442.06	5.17	-63.30
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCC([NH+](C)C)CC2)C1	REAL300030328212	0	57	0.0	-65.01	421.56	4.88	-60.13
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2(CC[NH+](C)C)CC2)C1	REAL300030328213	0	54	0.0	-76.34	423.79	4.49	-71.85
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C1	REAL300030328218	0	57	0.0	-65.30	420.97	4.73	-60.57
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2CC=CC[N@@H+]2C)C1	REAL300030328219	0	52	0.0	-73.36	403.08	4.13	-69.23
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2CC=CC[N@H+]2C)C1	REAL300030328219	1	52	0.0	-73.38	403.02	4.14	-69.24
CC1=CC(C=CC(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)=C[NH+]=C1N	REAL300030328288	1	51	0.0	-72.47	416.84	3.05	-69.42
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)COCC[NH+](C)C)C1	REAL300030328304	0	51	0.0	-74.05	408.12	3.28	-70.77
CCCCC[N@H+](C)CCC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030328311	0	59	0.0	-73.66	456.49	5.60	-68.06
CCCCC[N@@H+](C)CCC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030328311	1	59	0.0	-73.62	456.49	5.59	-68.03
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)C1	REAL300030328325	0	55	0.0	-71.54	427.09	3.92	-67.62
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CN2C=CSC2=[NH2+])C1	REAL300030328359	0	44	0.0	-68.71	379.55	2.37	-66.34
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)[C@@H](C)OCC[NH+](C)C)C1	REAL300030328458	0	54	0.0	-72.52	422.99	3.73	-68.79
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC[NH+]2CCCCCC2)C1	REAL300030328531	0	57	0.0	-73.12	425.91	4.71	-68.41
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[NH+]2CCCCC2)C1	REAL300030328535	0	51	0.0	-69.39	393.60	3.92	-65.47
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCC[N@H+](C)C2)C1	REAL300030328537	0	51	0.0	-71.41	386.44	3.55	-67.86
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CCC[N@@H+](C)C2)C1	REAL300030328537	1	51	0.0	-68.44	387.72	3.70	-64.74
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300030328539	0	55	0.0	-71.44	425.65	1.23	-70.21
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[NH+]2CCCCCC2)C1	REAL300030328545	0	54	0.0	-69.84	405.06	4.46	-65.38
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N+]2=CN(C)C=C2)C1	REAL300030328552	0	46	0.0	-68.14	383.11	5.57	-62.57
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(C)(C)C2CCC[N@H+](C)C2)C1	REAL300030328571	0	60	0.0	-79.17	427.46	4.12	-75.05
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(C)(C)C2CCC[N@@H+](C)C2)C1	REAL300030328571	1	60	0.0	-78.04	432.56	4.72	-73.32
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=C(C[NH+](C)C)O2)C1	REAL300030328577	1	51	0.0	-76.48	412.95	3.90	-72.58
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=C(C[NH+](C)C)N=C2)C1	REAL300030328586	0	53	0.0	-77.29	420.28	3.40	-73.89
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300030328605	0	52	0.0	-74.32	405.06	0.58	-73.74
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@H+](C)C2CC2)C1	REAL300030328612	0	48	0.0	-70.38	381.84	3.59	-66.79
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@@H+](C)C2CC2)C1	REAL300030328612	1	48	0.0	-67.13	381.11	3.47	-63.66
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(C)N2CC[NH+](C)CC2)C1	REAL300030328614	1	56	0.0	-73.01	418.00	1.62	-71.39
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC[N@@H+]2CCC(F)C2)C1	REAL300030328619	0	51	0.0	-79.88	406.45	3.91	-75.97
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC[N@H+]2CCC(F)C2)C1	REAL300030328619	1	51	0.0	-75.17	406.07	3.88	-71.29
COC1C[N@H+](C)C(C)(C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030328635	0	55	0.0	-65.55	412.36	1.94	-63.61
COC1C[N@@H+](C)C(C)(C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030328635	1	55	0.0	-75.75	412.45	2.23	-73.52
CC(CC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030328662	0	53	0.0	-76.57	409.79	4.26	-72.31
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300030328684	0	53	0.0	-68.20	402.18	2.20	-66.00
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC[N@H+]3CCOCC23)C1	REAL300030328684	1	53	0.0	-74.40	407.79	2.25	-72.15
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(C(C)NC(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300030328693	0	49	0.0	-69.50	408.25	5.38	-64.12
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2COCC[N@@H+]2C)C1	REAL300030328714	1	52	0.0	-68.44	387.34	1.58	-66.86
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2COCC[N@H+]2C)C1	REAL300030328714	1	52	0.0	-66.74	394.99	1.75	-64.99
CC[NH+]1CCN(CC(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030328727	0	56	0.0	-73.33	429.19	2.33	-71.00
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030328796	1	47	0.0	-77.62	381.17	1.33	-76.29
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCC2=CC=C(N)[NH+]=C2)C1	REAL300030328799	0	50	0.0	-69.63	410.91	2.59	-67.04
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@@H+]2CCC(C)(O)C2)C1	REAL300030328862	0	52	0.0	-73.22	409.05	0.60	-72.62
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@H+]2CCC(C)(O)C2)C1	REAL300030328862	1	52	0.0	-69.12	407.72	0.44	-68.68
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=NN2CC[NH+](C)C)C1	REAL300030328872	0	54	0.0	-67.74	425.28	3.22	-64.52
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2C[NH+](C)C2)C1	REAL300030328909	0	48	0.0	-72.07	383.14	2.90	-69.17
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300030328915	0	55	0.0	-71.74	417.11	4.64	-67.10
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300030328915	1	55	0.0	-69.94	422.82	4.89	-65.05
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[NH+](C)C)C1	REAL300030328925	0	44	0.0	-73.35	352.44	2.17	-71.18
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC[N@H+](C)CCO)C1	REAL300030328970	0	51	0.0	-71.72	402.35	0.08	-71.64
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC[N@@H+](C)CCO)C1	REAL300030328970	1	51	0.0	-71.50	402.25	0.06	-71.44
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300030328971	0	47	0.0	-71.10	368.05	2.44	-68.66
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2CCCC[N@@H+]2C)C1	REAL300030328997	0	54	0.0	-65.26	395.97	3.97	-61.29
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2CCCC[N@H+]2C)C1	REAL300030328997	1	54	0.0	-72.75	411.37	4.32	-68.43
CC1=C2C=C(C(=O)N3CCC(C(C)NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030329030	1	49	0.0	-72.72	408.90	6.18	-66.54
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(C)[NH+]2CC(C)C2)C1	REAL300030329031	0	51	0.0	-71.83	399.55	3.67	-68.16
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@@H+]2CCC2C)C1	REAL300030329037	0	48	0.0	-72.00	383.78	3.25	-68.75
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@H+]2CCC2C)C1	REAL300030329037	1	48	0.0	-68.88	383.43	3.19	-65.69
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C=CC[NH+](C)C)C1	REAL300030329057	0	48	0.0	-75.34	388.90	3.33	-72.01
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[NH+]2CC(C)(C)C2)C1	REAL300030329072	1	51	0.0	-73.52	402.72	3.70	-69.82
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCCC[NH+]2CCCCC2)C1	REAL300030329086	0	60	0.0	-72.10	458.40	6.07	-66.03
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030329101	1	52	0.0	-65.94	423.03	3.42	-62.52
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2(C3CC[NH+](C)CC3)CC2)C1	REAL300030329114	0	58	0.0	-73.14	439.70	5.58	-67.56
CC1=C2C=C(C(=O)N3CCC(C(C)NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030329124	1	49	0.0	-72.72	408.90	6.18	-66.54
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CSCC[NH+](C)C)C1	REAL300030329136	0	51	0.0	-81.49	419.15	4.14	-77.35
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC3=C(CCCC3)[NH+]=C2N)C1	REAL300030329160	1	54	0.0	-66.37	422.62	3.37	-63.00
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@@H+]2CCCC2CO)C1	REAL300030329168	0	52	0.0	-71.71	402.06	0.21	-71.50
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@H+]2CCCC2CO)C1	REAL300030329168	1	52	0.0	-69.05	401.49	0.13	-68.92
CC[NH+](CC)CC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030329171	0	50	0.0	-68.37	383.43	3.14	-65.23
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@H+](C)C2CCSC2)C1	REAL300030329184	0	52	0.0	-74.94	411.12	4.31	-70.63
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N@@H+](C)C2CCSC2)C1	REAL300030329184	1	52	0.0	-77.65	411.92	4.40	-73.25
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[NH+]2CCC2)C1	REAL300030329186	1	45	0.0	-73.50	362.66	2.62	-70.88
CC[NH+](CC)CCC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030329247	0	53	0.0	-71.31	405.31	3.70	-67.61
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[NH+]2CCC(C(N)=O)CC2)C1	REAL300030329273	0	55	0.0	-83.24	429.88	0.61	-82.63
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC(C[NH+](C)C)=CN2)C1	REAL300030329330	0	52	0.0	-81.38	412.84	3.51	-77.87
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(C)[NH+]2CCC(O)CC2)C1	REAL300030329355	0	55	0.0	-70.12	420.49	0.86	-69.26
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300030329363	0	53	0.0	-72.26	407.11	2.28	-69.98
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC3COCC[N@H+]3C2)C1	REAL300030329363	1	53	0.0	-76.47	406.78	2.34	-74.13
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(C)[NH+]2CCC2)C1	REAL300030329382	0	48	0.0	-72.45	372.96	2.63	-69.82
CCC(CC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030329393	0	56	0.0	-67.33	427.60	4.86	-62.47
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C=CC2=CC=C(N)[NH+]=C2)C1	REAL300030329402	0	48	0.0	-73.53	398.99	2.30	-71.23
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(C)(C)C[NH+](C)C)C1	REAL300030329403	0	53	0.0	-66.49	388.26	3.19	-63.30
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1	REAL300030329482	0	51	0.0	-68.31	383.63	3.38	-64.93
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1	REAL300030329482	1	51	0.0	-73.53	384.44	3.36	-70.17
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2C[N@@H+]3CCN2CC3C)C1	REAL300030329499	0	54	0.0	-72.48	400.88	0.75	-71.73
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2C[N@H+]3CCN2CC3C)C1	REAL300030329499	1	54	0.0	-74.32	399.40	0.69	-73.63
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC(O)C[NH+](C)C)C1	REAL300030329529	0	51	0.0	-80.26	405.14	1.20	-79.06
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC3CCC(C2)[NH+]3C)C1	REAL300030329532	0	55	0.0	-72.86	410.69	4.15	-68.71
C=CCC(C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030329583	0	51	0.0	-67.30	393.63	3.51	-63.79
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300030329596	0	55	0.0	-73.22	416.44	4.71	-68.51
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300030329596	1	55	0.0	-71.39	415.84	4.61	-66.78
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2(C)CC[NH+](C)CC2)C1	REAL300030329612	0	54	0.0	-70.50	399.05	3.64	-66.86
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2(O)CC[NH+](C)CC2)C1	REAL300030329617	0	55	0.0	-76.46	422.94	2.51	-73.95
COCC[N@@H+]1CCCC1CC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030329633	0	58	0.0	-70.58	440.92	3.45	-67.13
COCC[N@H+]1CCCC1CC(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030329633	1	58	0.0	-75.64	443.96	3.20	-72.44
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2CC3CCC(C2)[NH+]3C)C1	REAL300030329648	0	58	0.0	-69.32	430.51	5.03	-64.29
CC(NC(=O)C1=CC=NN1CC[NH+](C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030329689	0	54	0.0	-69.92	429.47	3.54	-66.38
CC(NC(=O)C1(C2CC[NH+](C)CC2)CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030329736	0	58	0.0	-72.77	435.72	5.46	-67.31
CC1=C2C=C(C(=O)NC(C)C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030329748	1	49	0.0	-73.21	401.38	6.03	-67.18
CC(NC(=O)CSCC[NH+](C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030329759	0	51	0.0	-78.40	416.42	3.93	-74.47
CC(NC(=O)C1CC2COCC[N@@H+]2C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030329771	0	53	0.0	-75.35	408.31	2.28	-73.07
CC(NC(=O)C1CC2COCC[N@H+]2C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030329771	1	53	0.0	-75.59	408.23	2.31	-73.28
C[N@@H+]1CCCC1C(=O)N1CC(CO)C2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030329883	0	56	0.0	-69.92	402.91	1.32	-68.60
C[N@H+]1CCCC1C(=O)N1CC(CO)C2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030329883	1	56	0.0	-71.20	402.98	1.25	-69.95
CCC(C(=O)N1CC(CO)C2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300030329992	0	58	0.0	-68.27	411.14	1.52	-66.75
CCC[N@H+](C)CC(=O)N1CC(CO)C2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030329997	0	58	0.0	-73.17	423.77	2.08	-71.09
CCC[N@@H+](C)CC(=O)N1CC(CO)C2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030329997	1	58	0.0	-73.16	423.77	2.09	-71.07
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(CO)C2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030330005	0	56	0.0	-69.94	402.90	1.30	-68.64
C[N@H+]1CCC[C@@H]1C(=O)N1CC(CO)C2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030330005	1	56	0.0	-69.65	406.14	1.57	-68.08
CC[NH+](CC)CC(=O)N1CC(CO)C2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030330010	0	58	0.0	-70.28	416.15	1.77	-68.51
CC[N@H+](C)CCC(=O)N1CC(CO)C2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030330069	0	58	0.0	-73.99	418.40	1.90	-72.09
CC[N@@H+](C)CCC(=O)N1CC(CO)C2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030330069	1	58	0.0	-73.84	418.40	1.92	-71.92
CC[C@@H](C(=O)N1CC(CO)C2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300030330072	0	58	0.0	-70.87	413.56	1.69	-69.18
C[NH+](C)CC(=O)N1CC(CO)C2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030330090	0	52	0.0	-72.47	384.64	0.69	-71.78
CC(C(=O)N1CC(CO)C2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+]1CCC1	REAL300030330094	1	56	0.0	-70.39	411.81	1.52	-68.87
C[N@H+](CC(=O)N1CC(CO)C2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300030330101	0	56	0.0	-68.57	407.57	2.08	-66.49
C[N@@H+](CC(=O)N1CC(CO)C2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300030330101	1	56	0.0	-69.32	407.71	2.09	-67.23
C[NH+]1CC(CC(=O)N2CC(CO)C3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030330107	0	56	0.0	-74.27	409.61	1.53	-72.74
C[C@@H](C(=O)N1CC(CO)C2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300030330115	0	55	0.0	-76.80	389.34	2.19	-74.61
C[C@@H](C(=O)N1CC(CO)C2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300030330137	0	55	0.0	-76.80	389.34	2.19	-74.61
O=C(C[NH+]1CCC1)N1CC(CO)C2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030330156	1	53	0.0	-73.33	394.83	1.17	-72.16
C[C@H](C(=O)N1CC(CO)C2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300030330167	0	55	0.0	-76.86	389.72	2.20	-74.66
CC1C[NH+](CC(=O)N2CC(CO)C3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030330175	1	56	0.0	-73.29	414.54	1.83	-71.46
C[N@H+](CCO)CC(=O)N1CC(CO)C2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030330186	1	56	0.0	-73.75	412.62	-1.88	-75.63
C[N@@H+](CCO)CC(=O)N1CC(CO)C2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030330186	1	56	0.0	-71.87	406.40	-1.89	-73.76
CC[N@H+](C)CC(=O)N1CC(CO)C2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030330193	0	55	0.0	-71.27	396.05	1.35	-69.92
CC[N@@H+](C)CC(=O)N1CC(CO)C2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030330193	1	55	0.0	-71.46	396.04	1.34	-70.12
C[NH+](C)CC=CC(=O)N1CC(CO)C2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030330212	0	56	0.0	-77.48	420.67	1.92	-75.56
CC[N@@H+]1CCC1C(=O)N1CC(CO)C2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030330218	1	56	0.0	-71.88	416.42	1.73	-70.15
CC[N@H+]1CCC1C(=O)N1CC(CO)C2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030330218	1	56	0.0	-71.67	416.27	1.72	-69.95
C[NH+](C)C(C)(C)C(=O)N1CC(CO)C2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030330232	0	58	0.0	-71.89	399.01	1.12	-70.77
C[NH+](C)C1(C(=O)N2CC(CO)C3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300030330257	0	56	0.0	-74.45	405.77	1.50	-72.95
CC(C[NH+](C)C)C(=O)N1CC(CO)C2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030330280	0	58	0.0	-71.53	417.15	1.75	-69.78
CC1CC[N@@H+]1CC(=O)N1CC(CO)C2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030330292	1	56	0.0	-70.74	416.12	1.71	-69.03
CC1CC[N@H+]1CC(=O)N1CC(CO)C2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030330292	1	56	0.0	-72.02	416.19	1.86	-70.16
NC(=[NH2+])SCC(=O)N1CC(CO)C2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030330315	0	50	0.0	-74.85	393.06	-2.24	-77.09
C[N@@H+]1CCC[C@H]1C(=O)N1CC(CO)C2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030330347	0	56	0.0	-69.81	406.58	1.50	-68.31
C[N@H+]1CCC[C@H]1C(=O)N1CC(CO)C2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030330347	1	56	0.0	-78.74	394.28	2.38	-76.36
C[N@@H+]1CCCC1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030330461	0	56	0.0	-76.88	403.23	1.35	-75.53
C[N@H+]1CCCC1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030330461	1	56	0.0	-82.81	403.50	1.31	-81.50
CCC(C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1)[NH+](C)C	REAL300030330540	0	58	0.0	-78.85	414.47	1.86	-76.99
CCC[N@H+](C)CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030330544	0	58	0.0	-79.29	414.62	3.42	-75.87
CCC[N@@H+](C)CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030330544	1	58	0.0	-79.24	414.63	3.41	-75.83
CC[N@H+](C)CCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030330562	0	58	0.0	-82.11	424.63	2.10	-80.01
CC[N@@H+](C)CCC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030330562	1	58	0.0	-82.14	424.63	2.09	-80.05
CC[C@@H](C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1)[NH+](C)C	REAL300030330605	0	58	0.0	-75.55	408.74	1.63	-73.92
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030330652	0	56	0.0	-71.63	394.26	2.53	-69.10
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030330652	1	56	0.0	-76.24	395.03	2.75	-73.49
C[C@@H](C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1)[NH+](C)C	REAL300030330708	0	55	0.0	-76.32	390.85	2.34	-73.98
C[N@H+](CCO)CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030330718	1	56	0.0	-79.70	403.48	-0.56	-80.26
C[N@@H+](CCO)CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030330718	1	56	0.0	-79.90	403.42	-0.53	-80.43
CC1C[NH+](CC(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)CC3CO)CC2)C1	REAL300030330737	1	56	0.0	-80.31	415.81	1.93	-78.38
CC[N@H+](C)CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030330755	0	55	0.0	-79.00	393.12	2.68	-76.32
CC[N@@H+](C)CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030330755	1	55	0.0	-78.92	393.13	2.67	-76.25
CC(C[NH+](C)C)C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030330788	0	58	0.0	-82.41	420.00	1.91	-80.50
C[NH+](C)C1(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)CC3CO)CC2)CC1	REAL300030330791	0	56	0.0	-72.72	397.42	2.44	-70.28
C[C@H](C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1)[NH+](C)C	REAL300030330795	0	55	0.0	-78.78	400.53	1.18	-77.60
CC[N@@H+]1CCC1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030330798	0	56	0.0	-72.18	405.99	1.40	-70.78
CC[N@H+]1CCC1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030330798	1	56	0.0	-72.68	415.16	1.77	-70.91
C[NH+](C)C(C)(C)C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030330807	0	58	0.0	-71.22	405.19	1.28	-69.94
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030330871	0	56	0.0	-75.23	397.21	2.79	-72.44
C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030330871	1	56	0.0	-71.05	403.21	1.35	-69.70
C[N@H+](CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1)C1CC1	REAL300030330910	0	56	0.0	-77.03	413.81	2.24	-74.79
C[N@@H+](CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1)C1CC1	REAL300030330910	1	56	0.0	-77.63	413.94	2.24	-75.39
C[NH+]1CC(CC(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)CC3CO)CC2)C1	REAL300030330939	0	56	0.0	-80.76	415.81	1.71	-79.05
C[NH+](C)CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030330942	0	52	0.0	-80.73	384.53	0.84	-79.89
C[C@@H](C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1)[NH+](C)C	REAL300030330945	0	55	0.0	-76.32	390.85	2.34	-73.98
CC1CC[N@@H+]1CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030330954	0	56	0.0	-72.41	416.06	1.86	-70.55
CC1CC[N@H+]1CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030330954	1	56	0.0	-71.41	410.99	1.70	-69.71
C[NH+](C)CC=CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030330955	0	56	0.0	-84.38	420.64	2.11	-82.27
CC[NH+](CC)CC(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030330961	0	58	0.0	-78.52	420.52	2.19	-76.33
O=C(C[NH+]1CCC1)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030330962	1	53	0.0	-79.71	385.49	2.42	-77.29
CC(C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1)[NH+]1CCC1	REAL300030330986	0	56	0.0	-78.64	412.52	1.73	-76.91
C[N@@H+]1CCCC1C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030331188	0	49	0.0	-73.50	358.81	2.77	-70.73
C[N@H+]1CCCC1C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030331188	1	49	0.0	-65.01	358.85	2.76	-62.25
CC(C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCCC1	REAL300030331377	0	58	0.0	-65.74	407.77	4.68	-61.06
CC(C)[N@@H+]1CCCC1C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030331396	0	55	0.0	-65.98	397.59	4.36	-61.62
CC(C)[N@H+]1CCCC1C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030331396	1	55	0.0	-71.99	386.76	4.17	-67.82
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@@H+]2C1	REAL300030331410	0	56	0.0	-76.72	406.40	4.96	-71.76
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@H+]2C1	REAL300030331410	1	56	0.0	-72.08	406.34	4.92	-67.16
CC(C)C1=[NH+]C=CN1CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030331430	1	53	0.0	-65.09	404.50	4.97	-60.12
CC1=[NH+]C=CN1CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030331460	1	47	0.0	-66.99	368.09	3.84	-63.15
CC(C[NH+]1CCOCC1)C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030331462	1	56	0.0	-72.56	410.18	2.96	-69.60
O=C(CCC[NH+]1CCCCC1)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030331476	0	58	0.0	-71.31	424.23	5.44	-65.87
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1C[NH+]2CCC1CC2	REAL300030331502	0	53	0.0	-72.83	380.08	4.01	-68.82
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCC2CCC[N@@H+]21	REAL300030331543	0	56	0.0	-65.10	394.95	4.75	-60.35
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCC2CCC[N@H+]21	REAL300030331543	1	56	0.0	-62.31	403.47	5.03	-57.28
C[C@@H]1[C@H](C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030331557	0	52	0.0	-72.93	375.53	3.21	-69.72
C[C@@H]1[C@H](C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030331557	1	52	0.0	-77.09	381.85	3.50	-73.59
CC[C@@H]1[C@@H](C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030331561	0	55	0.0	-69.95	395.78	3.89	-66.06
CC[C@@H]1[C@@H](C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030331561	1	55	0.0	-66.44	399.96	4.44	-62.00
CC[N@@H+]1CCOC(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030331573	1	53	0.0	-86.04	394.03	3.18	-82.86
CC[N@H+]1CCOC(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030331573	1	53	0.0	-79.98	393.93	3.18	-76.80
CC[NH+](CC)CC(F)C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030331609	0	54	0.0	-67.66	398.06	3.96	-63.70
CC1CCC(C)[NH+]1CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030331670	0	55	0.0	-67.18	395.82	4.23	-62.95
O=C(CCC[NH+]1CCCC1)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030331676	0	55	0.0	-70.93	408.56	4.74	-66.19
C[NH+](C)CC1=CC=CC(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030331677	0	55	0.0	-75.31	416.97	5.72	-69.59
C#CC[NH+]1CCC(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030331681	0	54	0.0	-77.70	408.45	5.09	-72.61
O=C(CC[NH+]1CCCCC1)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030331682	0	55	0.0	-70.83	402.77	4.63	-66.20
CC(C)C[N@@H+]1CCC(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030331704	0	58	0.0	-71.98	424.42	5.19	-66.79
CC(C)C[N@H+]1CCC(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030331704	1	58	0.0	-72.17	424.50	5.14	-67.03
CC(C)[N@@H+]1CCCC1CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030331709	0	58	0.0	-71.01	411.43	4.57	-66.44
CC(C)[N@H+]1CCCC1CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030331709	1	58	0.0	-70.50	408.12	4.47	-66.03
C[N@H+](CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300030331761	0	52	0.0	-67.93	384.80	4.21	-63.72
C[N@@H+](CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300030331761	1	52	0.0	-67.05	384.93	4.22	-62.83
CC(C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1C(C)CCC1C	REAL300030331810	0	58	0.0	-66.72	409.46	4.52	-62.20
CN(CCC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=[NH+]C=C1	REAL300030331859	0	54	0.0	-66.31	413.36	3.89	-62.42
C[N@@H+]1CCCC1CCC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030331872	0	55	0.0	-77.03	405.98	4.72	-72.31
C[N@H+]1CCCC1CCC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030331872	1	55	0.0	-68.62	406.90	4.59	-64.03
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC2CCCC[N@@H+]21	REAL300030331886	0	56	0.0	-64.58	406.55	5.17	-59.41
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC2CCCC[N@H+]21	REAL300030331886	1	56	0.0	-64.55	406.67	5.18	-59.37
O=C(CCCC[NH+]1CCCC1)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030331904	0	58	0.0	-72.72	429.96	5.54	-67.18
C[N@H+](CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300030331906	1	55	0.0	-74.91	415.35	5.82	-69.09
C[N@@H+](CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300030331906	1	55	0.0	-74.23	415.36	5.82	-68.41
C[NH+]1CCC(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030331917	0	52	0.0	-78.29	383.30	3.89	-74.40
C[NH+](C)CC1=CC(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)=NO1	REAL300030331946	1	51	0.0	-79.29	396.88	3.20	-76.09
CC1=C(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C=CC2=C[NH+]=CN21	REAL300030331947	0	50	0.0	-71.84	382.86	6.09	-65.75
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN2C=[NH+]C=C2C=C1	REAL300030332079	0	47	0.0	-72.60	368.96	5.72	-66.88
CC1=[NH+]C=CN1CCCC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030332088	1	53	0.0	-67.46	409.70	5.10	-62.36
C[NH+](C)CC1=CC=C(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C=C1	REAL300030332093	0	55	0.0	-84.35	416.82	5.74	-78.61
O=C(CC[NH+]1CCOCC1)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030332094	1	53	0.0	-74.84	393.90	2.22	-72.62
CC1=C[NH+]=CN1CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030332119	1	47	0.0	-66.08	367.41	4.53	-61.55
O=C(CN1C=[NH+]C2=C1CCCC2)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030332125	1	54	0.0	-65.08	410.30	6.30	-58.78
C[NH+](C)C1CCCC(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030332178	0	58	0.0	-69.05	417.61	5.07	-63.98
C[N@@H+]1CCC(CC(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030332181	0	52	0.0	-72.01	385.11	3.84	-68.17
C[N@H+]1CCC(CC(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030332181	1	52	0.0	-71.94	385.20	3.82	-68.12
CCC(C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030332196	0	51	0.0	-69.90	369.69	3.17	-66.73
C[NH+](C)C1(CC(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300030332209	0	58	0.0	-75.59	402.58	4.64	-70.95
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC2=C[NH+]=CN2C=C1	REAL300030332242	1	47	0.0	-78.90	369.23	5.75	-73.15
C[NH+](C)CCCCC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030332290	0	54	0.0	-74.20	404.15	4.37	-69.83
CCC[N@H+](C)CCC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030332308	0	54	0.0	-72.69	400.56	4.16	-68.53
CCC[N@@H+](C)CCC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030332308	1	54	0.0	-72.62	400.28	4.16	-68.46
CCC[N@H+](C)CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030332312	0	51	0.0	-69.72	377.92	3.64	-66.08
CCC[N@@H+](C)CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030332312	1	51	0.0	-69.44	377.93	3.64	-65.80
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C12CC[N@H+](C1)CCC2	REAL300030332330	0	53	0.0	-80.32	379.46	3.53	-76.79
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C12CC[N@@H+](C1)CCC2	REAL300030332330	1	53	0.0	-80.26	379.58	3.54	-76.72
C[N@@H+]1CCC[C@@H]1C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030332365	0	49	0.0	-73.69	358.73	2.78	-70.91
C[N@H+]1CCC[C@@H]1C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030332365	1	49	0.0	-65.91	363.83	3.29	-62.62
CCCCCC[N@H+](C)CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030332415	0	60	0.0	-70.63	442.41	5.98	-64.65
CCCCCC[N@@H+](C)CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030332415	1	60	0.0	-70.60	442.43	5.99	-64.61
CC[NH+](CC)CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030332427	0	51	0.0	-67.37	374.74	3.58	-63.79
CCC[N@@H+]1CCCC(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030332453	0	58	0.0	-64.84	416.23	5.43	-59.41
CCC[N@H+]1CCCC(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030332453	1	58	0.0	-69.53	422.46	5.23	-64.30
CC(C)[N@@H+]1CCOC(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030332466	1	56	0.0	-77.93	410.79	3.69	-74.24
CC(C)[N@H+]1CCOC(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030332466	1	56	0.0	-83.41	410.72	3.69	-79.72
CC1CC[NH+](CC(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030332496	0	55	0.0	-70.59	401.28	4.71	-65.88
C[NH+]1CCC(OCC(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030332518	0	56	0.0	-78.93	418.65	4.15	-74.78
C[NH+](C)CC1(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030332531	0	52	0.0	-59.57	391.39	3.98	-55.59
CC1=[NH+]C=C2CCC(C(=O)NC34CCC(CC3)N(C(=O)C3=CC(=O)[N-]O3)C4)CN21	REAL300030332532	1	54	0.0	-66.24	406.42	4.98	-61.26
CC(C)[NH+]1CCC(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030332596	0	58	0.0	-75.37	413.95	4.85	-70.52
C[NH+]1CCC(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030332613	0	52	0.0	-78.29	383.30	3.89	-74.40
CCC(C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](CC)CC	REAL300030332643	0	57	0.0	-64.64	405.13	4.54	-60.10
CC[N@H+](C)CCC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030332700	0	51	0.0	-71.77	378.79	3.45	-68.32
CC[N@@H+](C)CCC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030332700	1	51	0.0	-71.83	378.78	3.42	-68.41
CC1CCC[N@@H+]1CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030332745	0	52	0.0	-66.02	377.58	3.60	-62.42
CC1CCC[N@H+]1CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030332745	1	52	0.0	-66.78	384.16	4.01	-62.77
CC1CC[N@H+](CC(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030332747	0	52	0.0	-69.27	383.97	3.96	-65.31
CC1CC[N@@H+](CC(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030332747	1	52	0.0	-68.87	384.76	3.92	-64.95
CC1=[NH+]C=C2CC(C(=O)NC34CCC(CC3)N(C(=O)C3=CC(=O)[N-]O3)C4)CCN21	REAL300030332748	1	54	0.0	-70.36	408.00	4.98	-65.38
CC1(C)CC[N@H+](CC(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030332751	0	55	0.0	-69.01	403.76	4.46	-64.55
CC1(C)CC[N@@H+](CC(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030332751	1	55	0.0	-69.33	404.07	4.47	-64.86
C[N@H+](CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300030332752	0	57	0.0	-70.21	408.32	4.73	-65.48
C[N@@H+](CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300030332752	1	57	0.0	-69.08	408.47	4.77	-64.31
CC[C@@H](C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030332759	0	51	0.0	-64.17	369.00	3.25	-60.92
C[NH+]1CCC(O)(CC(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030332914	0	56	0.0	-71.10	406.42	2.49	-68.61
C[NH+](C)CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030332924	0	45	0.0	-69.74	338.64	2.23	-67.51
O=C(C[NH+]1CCC(CO)CC1)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030332927	1	56	0.0	-75.12	412.21	1.40	-73.72
O=C(C[NH+]1CCCCCC1)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030332929	0	55	0.0	-70.50	389.66	4.28	-66.22
CN1C=C[N+](CC(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030332933	0	47	0.0	-65.16	369.87	5.73	-59.43
C[N@@H+]1CCCC(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030332939	0	52	0.0	-70.34	383.35	3.86	-66.48
C[N@H+]1CCCC(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030332939	1	52	0.0	-59.69	377.18	4.05	-55.64
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@@H+]1C1CC1	REAL300030332943	0	53	0.0	-71.74	390.84	4.27	-67.47
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@H+]1C1CC1	REAL300030332943	1	53	0.0	-72.10	382.62	3.83	-68.27
CC(C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300030332967	1	49	0.0	-68.25	367.03	3.31	-64.94
CCC(CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300030332973	0	57	0.0	-59.19	413.87	4.82	-54.37
O=C(C[NH+]1CCC(O)CC1)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333002	1	53	0.0	-73.20	391.50	0.75	-72.45
C[N@H+](CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030333003	0	49	0.0	-66.03	368.25	3.63	-62.40
C[N@@H+](CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030333003	1	49	0.0	-67.65	368.16	3.62	-64.03
CC(C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)N1CC[NH+](C)CC1	REAL300030333004	1	57	0.0	-66.52	409.73	2.04	-64.48
C[NH+]1CC(CC(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030333020	0	49	0.0	-72.78	370.17	3.03	-69.75
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@@H+]1C1CCCC1	REAL300030333024	0	56	0.0	-73.68	411.06	5.21	-68.47
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@H+]1C1CCCC1	REAL300030333024	1	56	0.0	-68.92	404.11	4.67	-64.25
CC(C)(C)[N@@H+]1CCC1C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333031	0	55	0.0	-66.38	400.33	3.91	-62.47
CC(C)(C)[N@H+]1CCC1C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333031	1	55	0.0	-65.97	400.78	3.97	-62.00
C[C@@H](C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030333042	0	48	0.0	-66.02	356.79	2.62	-63.40
CCC1CCC[N@H+](CC(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030333077	0	58	0.0	-71.15	412.73	5.28	-65.87
CCC1CCC[N@@H+](CC(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030333077	1	58	0.0	-70.35	419.91	5.35	-65.00
C[NH+](C)CC1=CC=C(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300030333084	0	53	0.0	-85.53	405.64	3.40	-82.13
[NH2+]=C1SC=CN1CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333121	0	45	0.0	-63.02	365.75	2.39	-60.63
C[N@H+](CCO)CCC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333129	0	52	0.0	-72.59	389.14	0.21	-72.38
C[N@@H+](CCO)CCC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333129	1	52	0.0	-71.47	389.37	0.23	-71.24
C[C@@H](C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030333130	0	48	0.0	-66.02	356.79	2.62	-63.40
C[N@@H+]1CCCC[C@@H]1C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333134	0	52	0.0	-65.64	371.39	3.64	-62.00
C[N@H+]1CCCC[C@@H]1C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333134	1	52	0.0	-69.65	380.65	3.83	-65.82
CC1CN2CC[N@@H+]1CC2C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333141	0	55	0.0	-82.89	391.64	1.19	-81.70
CC1CN2CC[N@H+]1CC2C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333141	1	55	0.0	-83.09	390.20	1.12	-81.97
O=C(CC1=CC2=C[NH+]=CN2C=C1)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333184	0	50	0.0	-67.69	393.04	6.40	-61.29
C[N@H+](CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300030333206	0	53	0.0	-72.38	398.22	4.44	-67.94
C[N@@H+](CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300030333206	1	53	0.0	-72.30	398.07	4.47	-67.83
O=C(C[NH+]1CCC1)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333207	1	46	0.0	-69.69	349.08	2.75	-66.94
C[NH+](C)CC1=CC(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)=CC=N1	REAL300030333232	1	54	0.0	-72.26	412.97	3.88	-68.38
C[N@@H+]1CCC(=CC(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030333233	0	50	0.0	-73.60	376.64	3.79	-69.81
C[N@H+]1CCC(=CC(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030333233	1	50	0.0	-73.77	376.65	3.81	-69.96
C[NH+](C)CCOCC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333261	0	52	0.0	-67.54	394.50	3.14	-64.40
CCCCC[N@H+](C)CCC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333267	0	60	0.0	-73.50	443.56	5.73	-67.77
CCCCC[N@@H+](C)CCC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333267	1	60	0.0	-73.42	443.28	5.73	-67.69
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030333275	0	56	0.0	-72.29	416.03	4.31	-67.98
C=CCC(C)(C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030333282	0	55	0.0	-62.27	394.11	4.23	-58.04
C[S+](C)CCC(O)C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333287	0	51	0.0	-83.58	403.64	1.75	-81.83
CN1CC[N@H+](C)CC(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030333320	0	57	0.0	-65.94	409.88	1.99	-63.95
CN1CC[N@@H+](C)CC(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030333320	1	57	0.0	-65.94	409.88	1.99	-63.95
CC(C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)[N@@H+]1CCCC(O)C1	REAL300030333321	0	56	0.0	-71.92	407.67	1.34	-70.58
O=C(CN1CCC(CO)CC1)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333331	0	56	0.0	-75.12	412.21	1.40	-73.72
O=C(C[NH+]1CCC(CO)CC1)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333331	1	56	0.0	-75.12	412.21	1.40	-73.72
C[N@@H+]1CCCC(O)(CC(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030333340	0	56	0.0	-58.62	409.08	2.41	-56.21
C[N@H+]1CCCC(O)(CC(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030333340	1	56	0.0	-58.62	409.08	2.41	-56.21
CC1CN(CC(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030333343	0	49	0.0	-69.95	370.06	3.32	-66.63
CC1C[NH+](CC(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030333343	1	49	0.0	-69.95	370.06	3.32	-66.63
CN(CCO)CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333368	0	49	0.0	-69.36	366.79	-0.34	-69.70
C[N@H+](CCO)CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333368	1	49	0.0	-71.43	366.53	-0.32	-71.75
C[N@@H+](CCO)CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333368	1	49	0.0	-71.43	366.53	-0.32	-71.75
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1C[N@@H+]2CCN1CCC2	REAL300030333388	0	55	0.0	-84.63	383.43	1.31	-83.32
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1C[N@H+]2CCN1CCC2	REAL300030333388	1	55	0.0	-84.63	383.43	1.31	-83.32
CC[N@@H+]1CCCC(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030333392	0	55	0.0	-68.91	401.00	4.48	-64.43
CC[N@H+]1CCCC(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030333392	1	55	0.0	-68.91	401.00	4.48	-64.43
CC(CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300030333394	0	54	0.0	-73.45	395.93	4.22	-69.23
CC[N@H+](C)CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333406	0	48	0.0	-69.28	356.44	2.90	-66.38
CC[N@H+](CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030333453	0	52	0.0	-65.96	383.57	3.99	-61.97
CC[NH+](CC)CCC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333468	0	54	0.0	-70.94	392.24	3.86	-67.08
CC1(O)CC[N@H+](CC(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030333514	0	53	0.0	-71.45	394.90	0.61	-70.84
C[NH+](C)CC=CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333520	0	49	0.0	-76.56	376.04	3.47	-73.09
CC(OCC[NH+](C)C)C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333537	0	55	0.0	-70.61	413.68	3.85	-66.76
C[NH+](C)CCOCCC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333546	0	55	0.0	-74.06	415.46	3.01	-71.05
COCCN(C)CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333547	0	52	0.0	-68.83	388.79	2.04	-66.79
COCC[N@H+](C)CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333547	1	52	0.0	-69.74	389.04	2.06	-67.68
COCC[N@@H+](C)CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333547	1	52	0.0	-69.74	389.04	2.06	-67.68
CC(CCC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030333580	0	54	0.0	-72.76	391.98	3.96	-68.80
CCN1CCC1C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333589	0	49	0.0	-69.83	370.24	3.20	-66.63
CC[N@@H+]1CCC1C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333589	1	49	0.0	-69.73	370.24	3.22	-66.51
CC[N@H+]1CCC1C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333589	1	49	0.0	-69.73	370.24	3.22	-66.51
CC(C)[N@@H+]1CCCC(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030333598	0	58	0.0	-69.30	417.49	5.00	-64.30
CC(C)[N@H+]1CCCC(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030333598	1	58	0.0	-69.30	417.49	5.00	-64.30
O=C(C[N@H+]1CCCC1CO)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333610	0	53	0.0	-68.82	388.37	0.26	-68.56
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@@H+]2C1	REAL300030333629	0	56	0.0	-72.08	406.34	4.92	-67.16
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@H+]2C1	REAL300030333629	1	56	0.0	-72.08	406.34	4.92	-67.16
CC(C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)N1CCC(O)CC1	REAL300030333648	0	56	0.0	-74.23	409.69	1.15	-73.08
CC(C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC(O)CC1	REAL300030333648	1	56	0.0	-74.23	409.69	1.15	-73.08
C=CCC(C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030333656	0	52	0.0	-63.31	381.84	3.69	-59.62
C[N@@H+]1CC(C)(C)CC1C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333663	0	55	0.0	-67.93	404.57	4.38	-63.55
C[NH+](C)CCCCCC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333667	0	57	0.0	-73.90	425.65	5.15	-68.75
CC1C[N@@H+]2CCN1C(C(=O)NC13CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030333701	0	55	0.0	-73.91	391.73	1.31	-72.60
CCCC(C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030333702	0	54	0.0	-73.28	393.08	4.15	-69.13
C[N@@H+]1CCCCC1C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333740	0	52	0.0	-69.63	380.64	3.82	-65.81
C[N@H+]1CC=C(CC(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030333776	0	53	0.0	-65.45	397.89	4.55	-60.90
C[N@@H+]1CC=C(CC(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030333776	1	53	0.0	-65.45	397.89	4.55	-60.90
O=C(CC1([NH+]2CCCC2)CC1)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333783	0	56	0.0	-67.88	403.93	4.95	-62.93
CN(C)CC1=CC=C(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030333826	0	52	0.0	-83.59	403.33	4.04	-79.55
C[NH+](C)CC1=CC=C(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030333826	1	52	0.0	-83.59	403.33	4.04	-79.55
O=C(C=CC[NH+]1CCCC1)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333841	0	53	0.0	-72.99	401.08	4.65	-68.34
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[NH+](C2CC2)CC1	REAL300030333862	0	56	0.0	-72.11	412.55	5.29	-66.82
O=C(CC[NH+]1CCCC1)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333878	0	52	0.0	-71.07	387.10	3.93	-67.14
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1C[NH+]2CCN1CC2	REAL300030333910	0	52	0.0	-73.70	375.12	0.67	-73.03
O=C(C[N@@H+]1CC2CCC1C2)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333930	0	53	0.0	-67.60	385.55	4.34	-63.26
O=C(C[N@H+]1CC2CCC1C2)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333930	1	53	0.0	-67.54	385.39	4.32	-63.22
O=C(C=C1C[NH+]2CCC1CC2)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333967	0	54	0.0	-63.64	395.14	4.63	-59.01
O=C(C[N@@H+]1CC2C=CC1C2)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333975	1	51	0.0	-68.46	378.08	4.19	-64.27
O=C(C[N@H+]1CC2C=CC1C2)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333975	1	51	0.0	-68.27	378.60	4.19	-64.08
CC[NH+]1CCN(CC(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030333999	0	57	0.0	-65.67	415.55	2.41	-63.26
CC(C[NH+](C)C)C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030334014	0	51	0.0	-72.40	377.29	3.49	-68.91
C[N@@H+]1CCCCC1CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030334082	0	55	0.0	-73.14	398.02	4.39	-68.75
C[N@H+]1CCCCC1CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030334082	1	55	0.0	-57.33	390.49	4.24	-53.09
CC1=C2C=C(C(=O)NC34CCC(CC3)N(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300030334095	1	50	0.0	-77.50	391.14	6.31	-71.19
CC(C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CC(C)C1	REAL300030334096	1	52	0.0	-67.06	386.75	3.97	-63.09
CC1CC[N@@H+]1CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030334099	1	49	0.0	-69.56	370.03	3.31	-66.25
CC1CC[N@H+]1CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030334099	1	49	0.0	-68.07	370.18	3.31	-64.76
C[NH+](C)CC(O)CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030334103	0	52	0.0	-75.13	391.34	1.12	-74.01
CC1C[N@H+](C)CC(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030334126	1	53	0.0	-89.57	390.02	2.84	-86.73
CC1C[N@@H+](C)CC(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030334126	1	53	0.0	-84.05	390.27	3.11	-80.94
O=C(CC[NH+]1CCC(O)CC1)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030334135	0	56	0.0	-73.87	413.83	1.28	-72.59
CCC[N@@H+]1CCCCC1C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030334137	0	58	0.0	-65.33	420.01	5.21	-60.12
CCC[N@H+]1CCCCC1C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030334137	1	58	0.0	-69.31	410.63	5.03	-64.28
C[NH+](C)[C@H]1C[C@H](C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030334208	0	52	0.0	-67.27	388.49	3.96	-63.31
CC(CC[NH+](C)C)C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030334216	0	54	0.0	-72.32	398.87	4.11	-68.21
C[N@H+](CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300030334233	0	56	0.0	-66.46	409.84	1.42	-65.04
C[N@@H+](CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300030334233	1	56	0.0	-67.81	409.77	1.41	-66.40
C[NH+]1CCN(CC(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030334243	1	54	0.0	-67.64	397.81	1.73	-65.91
CC[NH+]1CCN(CC(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030334252	0	57	0.0	-65.67	415.55	2.41	-63.26
NC(=[NH2+])SCC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030334274	0	43	0.0	-73.28	347.16	-0.91	-74.19
CCN1CCOCC1CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030334307	0	56	0.0	-75.16	402.65	2.54	-72.62
CC[N@@H+]1CCOCC1CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030334307	1	56	0.0	-74.66	406.54	2.69	-71.97
CC[N@H+]1CCOCC1CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030334307	1	56	0.0	-74.66	406.54	2.69	-71.97
C[NH+](C)C1CCC(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030334321	0	58	0.0	-74.21	410.99	4.92	-69.29
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030334323	0	58	0.0	-53.12	411.13	4.93	-48.19
C[N@@H+]1CC=CCC1CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030334324	0	53	0.0	-57.91	384.95	4.21	-53.70
C[N@H+]1CC=CCC1CC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030334324	1	53	0.0	-57.91	384.95	4.21	-53.70
C[C@@H](OCC[NH+](C)C)C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030334345	0	55	0.0	-71.45	414.44	3.84	-67.61
C[NH+]1C2CCC1CC(C(=O)NC13CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030334367	0	56	0.0	-74.49	377.01	4.57	-69.92
CC(C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCSCC1	REAL300030334456	1	53	0.0	-71.89	393.02	4.10	-67.79
C[N@H+]1CCC[C@H]1C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030334465	1	49	0.0	-65.08	358.72	2.76	-62.32
O=C(CC[N@@H+]1CCC(F)C1)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030334472	1	52	0.0	-75.94	393.32	4.02	-71.92
O=C(CC[NH+]1CCCCCC1)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030334488	0	58	0.0	-72.36	412.67	4.85	-67.51
O=C(C[NH+]1CCCCC1)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030334490	0	52	0.0	-69.95	380.80	4.11	-65.84
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CCC[N@H+](C)CC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030335128	0	51	0.0	-59.03	381.49	3.78	-55.25
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CC[N@@H+](C)CCC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030335347	1	51	0.0	-60.97	382.29	3.60	-57.37
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CC(C)[C@H](C(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2)[NH+](C)C	REAL300030335481	0	54	0.0	-68.13	384.45	3.87	-64.26
CC[NH+](CC)CC(F)C(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030335576	0	54	0.0	-62.32	403.91	4.32	-58.00
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CC(C)C[N@H+]1CCC(C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)C1	REAL300030335611	1	58	0.0	-69.44	421.68	5.14	-64.30
C[NH+](C)C1(C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)CCC1	REAL300030335615	0	52	0.0	-69.13	368.03	3.24	-65.89
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CC1CCC[N@H+]1CC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030335666	1	52	0.0	-67.38	387.06	4.04	-63.34
CC(C(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2)[NH+]1CCCCCC1	REAL300030335736	0	58	0.0	-69.41	403.16	4.53	-64.88
CC(C)[N@@H+]1CCCCC1C(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030335738	0	58	0.0	-63.08	411.59	4.75	-58.33
CC(C)[N@H+]1CCCCC1C(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030335738	1	58	0.0	-63.88	404.58	4.53	-59.35
CC(C)[N@@H+]1CCCC1C(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030335759	0	55	0.0	-64.88	396.47	4.26	-60.62
CC(C)[N@H+]1CCCC1C(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030335759	1	55	0.0	-64.89	396.46	4.26	-60.63
CC(C)[N@@H+]1CCCC1CC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030335765	0	58	0.0	-63.25	410.89	4.91	-58.34
CC(C)[N@H+]1CCCC1CC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030335765	1	58	0.0	-67.72	421.30	5.03	-62.69
CC(C)[C@@H](C(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2)[NH+](C)C	REAL300030335780	0	54	0.0	-66.68	381.67	3.69	-62.99
CC1CC[N@H+](CC(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)C1	REAL300030335801	0	52	0.0	-69.65	387.73	4.13	-65.52
CC1CC[N@@H+](CC(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)C1	REAL300030335801	1	52	0.0	-69.64	387.49	4.13	-65.51
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CC1(C)CC[N@H+](CC(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)C1	REAL300030335806	0	55	0.0	-69.64	407.35	4.61	-65.03
CC1(C)CC[N@@H+](CC(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)C1	REAL300030335806	1	55	0.0	-69.71	407.60	4.61	-65.10
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CC[N@H+]1CCOC(C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)C1	REAL300030336158	1	53	0.0	-75.42	383.09	2.95	-72.47
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CC1=C[NH+]=CN1CC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030336216	1	47	0.0	-59.14	371.05	4.68	-54.46
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CC[C@@H]1[C@@H](C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)CC[N@@H+]1C	REAL300030336237	0	55	0.0	-60.04	393.27	3.84	-56.20
CC[C@@H]1[C@@H](C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)CC[N@H+]1C	REAL300030336237	1	55	0.0	-68.10	402.58	4.39	-63.71
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CC[N@@H+]1CCCCC1C(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030336272	0	55	0.0	-64.84	398.32	4.47	-60.37
CC[N@H+]1CCCCC1C(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030336272	1	55	0.0	-65.03	398.27	4.46	-60.57
C[NH+](C)C(C(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2)C1=CC=CC=C1	REAL300030336275	1	55	0.0	-66.76	408.69	5.52	-61.24
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CC(CC[NH+](C)C)C(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030337820	0	54	0.0	-75.58	400.62	4.05	-71.53
O=C(NC12CCC(CC1)N(C(=O)C13CC(C1)C[N@@H+]3C1CC1)C2)C1=CC(=O)[N-]O1	REAL300030337891	0	54	0.0	-64.07	396.66	4.91	-59.16
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C[N@@H+]1CC(C)(C)CC1C(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030337930	0	55	0.0	-67.96	400.31	4.00	-63.96
C[N@H+]1CC(C)(C)CC1C(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030337930	1	55	0.0	-66.47	403.23	4.27	-62.20
C[NH+](C)CCCCCC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030337935	0	57	0.0	-65.43	429.03	5.32	-60.11
O=C(CC[NH+]1CCC(O)CC1)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030337939	0	56	0.0	-64.11	416.89	1.45	-62.66
CCC[N@@H+]1CCCCC1C(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030337943	0	58	0.0	-65.29	419.71	5.22	-60.07
CCC[N@H+]1CCCCC1C(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030337943	1	58	0.0	-67.63	413.74	5.03	-62.60
C[NH+]1CCN(CC(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)CC1	REAL300030337953	1	54	0.0	-64.68	401.40	1.85	-62.83
CC1C[N@H+](C)CC(C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)O1	REAL300030338055	1	53	0.0	-78.58	388.32	2.94	-75.64
CC1C[N@@H+](C)CC(C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)O1	REAL300030338055	1	53	0.0	-85.53	395.57	3.29	-82.24
CCC1CCC[N@H+](CC(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)C1	REAL300030338088	0	58	0.0	-70.29	416.12	5.44	-64.85
CCC1CCC[N@@H+](CC(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)C1	REAL300030338088	1	58	0.0	-70.30	423.27	5.52	-64.78
C[NH+](C)CC1=CC=C(C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)N1	REAL300030338097	0	53	0.0	-62.33	403.27	3.72	-58.61
O=C(C[NH+]1CC2CC2C1)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030338112	0	50	0.0	-70.25	377.43	4.26	-65.99
O=C(CC1([NH+]2CCCC2)CC1)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030338125	0	56	0.0	-66.42	407.37	5.14	-61.28
C[N@@H+]1CCCCC1C(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030338164	0	52	0.0	-66.19	380.49	3.84	-62.35
C[N@H+]1CCCCC1C(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030338164	1	52	0.0	-69.25	374.30	3.61	-65.64
C[N@@H+]1CCC(=CC(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)C1	REAL300030338287	0	50	0.0	-65.84	379.96	3.87	-61.97
C[N@H+]1CCC(=CC(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)C1	REAL300030338287	1	50	0.0	-66.34	380.12	3.87	-62.47
O=C(CNC1=CC=[NH+]C=C1)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030338292	0	48	0.0	-59.80	377.97	1.63	-58.17
CC[NH+]1CCN(CC(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)CC1	REAL300030338349	0	57	0.0	-61.71	418.92	2.54	-59.17
O=C(C=C1C[NH+]2CCC1CC2)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030338352	0	54	0.0	-63.73	397.64	4.78	-58.95
C[NH+](C)C1(C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)CCCC1	REAL300030338390	0	55	0.0	-66.62	374.10	3.53	-63.09
C[N@H+](CC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2)[C@@H]1CCC[C@H]1O	REAL300030338401	0	56	0.0	-67.85	413.20	1.59	-66.26
C[N@@H+](CC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2)[C@@H]1CCC[C@H]1O	REAL300030338401	1	56	0.0	-68.17	412.95	1.76	-66.41
CCC1C[NH+](CC(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)C1	REAL300030338407	1	52	0.0	-71.31	394.67	4.18	-67.13
O=C(NC12CCC(CC1)N(C(=O)C1([NH+]3CCCC3)CCC1)C2)C1=CC(=O)[N-]O1	REAL300030338411	0	56	0.0	-50.21	397.79	4.62	-45.59
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030338425	0	49	0.0	-66.85	363.20	3.21	-63.64
C[N@H+]1CCC[C@H]1C(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030338425	1	49	0.0	-68.57	360.32	2.85	-65.72
CCN1CCOCC1CC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030338456	0	56	0.0	-73.06	409.71	2.83	-70.23
CC[N@@H+]1CCOCC1CC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030338456	1	56	0.0	-72.99	409.48	2.87	-70.12
CC[N@H+]1CCOCC1CC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030338456	1	56	0.0	-72.99	409.48	2.87	-70.12
NC1=NC2=CC(C(=O)N3CC4(NC(=O)C5=CC(=O)[N-]O5)CCC3CC4)=CC=C2N1	REAL300030338546	0	49	0.0	-54.16	379.81	3.01	-51.15
NC1=[NH+]C2=CC(C(=O)N3CC4(NC(=O)C5=CC(=O)[N-]O5)CCC3CC4)=CC=C2N1	REAL300030338546	1	49	0.0	-54.16	379.81	3.01	-51.15
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)C1	REAL300030338584	0	52	0.0	-70.19	390.42	4.06	-66.13
C[NH+](C)C1CCC(C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)CC1	REAL300030338599	0	58	0.0	-64.56	410.90	5.04	-59.52
C[NH+](C)CCC1(C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)CC1	REAL300030338600	0	55	0.0	-67.02	411.34	4.67	-62.35
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)CC1	REAL300030338602	0	58	0.0	-64.59	410.97	5.02	-59.57
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C[N@H+]1CC=CCC1CC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030338603	1	53	0.0	-64.71	388.35	4.38	-60.33
CC1=CC(C=CC(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)=CN=C1N	REAL300030338653	0	52	0.0	-59.04	406.42	3.30	-55.74
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C[NH+](C)CCOCC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030338666	0	52	0.0	-63.69	398.04	3.47	-60.22
CCCCC[N@H+](C)CCC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030338672	0	60	0.0	-62.43	446.82	5.93	-56.50
CCCCC[N@@H+](C)CCC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030338672	1	60	0.0	-62.43	446.82	5.93	-56.50
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)O1	REAL300030338684	0	56	0.0	-69.60	416.46	4.19	-65.41
[NH2+]=C1SC=CN1CC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030338709	0	45	0.0	-57.14	369.42	2.54	-54.60
C[C@@H](OCC[NH+](C)C)C(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030338783	0	55	0.0	-67.94	412.84	3.89	-64.05
O=C(CC[NH+]1CCCCCC1)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030338827	0	58	0.0	-60.87	416.53	5.05	-55.82
O=C(C[NH+]1CCCCC1)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030338831	0	52	0.0	-69.74	383.91	4.24	-65.50
C[N@@H+]1CCCC(C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)C1	REAL300030338833	0	52	0.0	-75.61	385.08	3.82	-71.79
C[N@H+]1CCCC(C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)C1	REAL300030338833	1	52	0.0	-73.31	385.72	3.90	-69.41
O=C(C[NH+]1CCC(CO)CC1)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030338834	0	56	0.0	-73.19	415.70	1.55	-71.64
O=C(C[NH+]1CCCCCC1)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030338837	0	55	0.0	-70.28	394.97	4.76	-65.52
CN1C=C[N+](CC(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)=C1	REAL300030338842	0	47	0.0	-58.76	373.58	5.87	-52.89
C[NH+](C)CC1=CC=C(C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)O1	REAL300030338860	1	52	0.0	-59.20	402.32	4.09	-55.11
C[NH+](C)CC1=CC=C(C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)C=N1	REAL300030338866	0	54	0.0	-63.14	409.63	3.44	-59.70
O=C(C[NH+]1CCC(O)CC1)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030338880	1	53	0.0	-73.99	395.10	0.88	-73.11
C[N@H+](CC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2)C1CC1	REAL300030338885	0	49	0.0	-67.35	371.56	3.78	-63.57
C[N@@H+](CC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2)C1CC1	REAL300030338885	1	49	0.0	-67.37	371.36	3.78	-63.59
CC(C(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2)N1CC[NH+](C)CC1	REAL300030338887	1	57	0.0	-69.13	410.27	1.96	-67.17
O=C(CC[N@H+]1CCC(F)C1)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030338890	0	52	0.0	-64.55	396.46	4.20	-60.35
O=C(CC[N@@H+]1CCC(F)C1)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030338890	1	52	0.0	-64.33	396.80	4.20	-60.13
COC1C[N@H+](C)C(C)(C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)C1	REAL300030338901	0	56	0.0	-67.77	398.00	2.13	-65.64
COC1C[N@@H+](C)C(C)(C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)C1	REAL300030338901	1	56	0.0	-67.76	398.21	2.19	-65.57
CC(CC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2)C[NH+](C)C	REAL300030338921	0	54	0.0	-63.85	399.36	4.39	-59.46
O=C(NC12CCC(CC1)N(C(=O)C1CC[N@@H+]3CCOCC13)C2)C1=CC(=O)[N-]O1	REAL300030338937	0	54	0.0	-72.87	397.09	2.48	-70.39
O=C(NC12CCC(CC1)N(C(=O)C1CC[N@H+]3CCOCC13)C2)C1=CC(=O)[N-]O1	REAL300030338937	1	54	0.0	-68.95	395.10	2.45	-66.50
CC1=[NH+]C=C2C=CC(C(=O)N3CC4(NC(=O)C5=CC(=O)[N-]O5)CCC3CC4)=CN21	REAL300030338942	0	50	0.0	-60.69	397.38	5.44	-55.25
C[N@@H+]1CCOCC1CC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030338959	1	53	0.0	-75.33	392.41	2.21	-73.12
C[N@H+]1CCOCC1CC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030338959	1	53	0.0	-75.24	392.33	2.18	-73.06
CC[NH+]1CCN(CC(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)CC1	REAL300030338967	0	57	0.0	-61.71	418.92	2.54	-59.17
CC1=CC(N)=[NH+]C=C1C(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030339022	1	48	0.0	-59.62	371.83	1.59	-58.03
NC1=CC=C(CCC(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)C=[NH+]1	REAL300030339025	0	51	0.0	-60.22	401.25	2.91	-57.31
CC1(O)CC[N@H+](CC(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)C1	REAL300030339066	0	53	0.0	-70.53	398.71	0.78	-69.75
CC1(O)CC[N@@H+](CC(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)C1	REAL300030339066	1	53	0.0	-70.54	398.67	0.79	-69.75
C[NH+]1CC(CC(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)C1	REAL300030339101	0	49	0.0	-70.85	373.65	3.21	-67.64
O=C(NC12CCC(CC1)N(C(=O)C1CC[N@@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300030339106	0	56	0.0	-67.76	406.56	4.69	-63.07
O=C(NC12CCC(CC1)N(C(=O)C1CC[N@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300030339106	1	56	0.0	-67.76	405.88	4.76	-63.00
C[NH+](C)CC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030339114	0	45	0.0	-59.98	342.17	2.37	-57.61
C[N@H+](CCO)CCC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030339143	0	52	0.0	-61.70	392.68	0.40	-61.30
C[N@@H+](CCO)CCC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030339143	1	52	0.0	-60.61	392.66	0.37	-60.24
C[C@@H](C(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2)[NH+](C)C	REAL300030339144	0	48	0.0	-68.15	357.91	2.69	-65.46
C[N@@H+]1CCCCC1CC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030339166	0	55	0.0	-71.76	400.80	4.58	-67.18
C[N@H+]1CCCCC1CC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030339166	1	55	0.0	-64.17	393.89	4.44	-59.73
CC1=C2C=C(C(=O)N3CC4(NC(=O)C5=CC(=O)[N-]O5)CCC3CC4)C=CN2C=[NH+]1	REAL300030339188	1	50	0.0	-62.69	397.95	6.26	-56.43
CC(C(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2)[NH+]1CC(C)C1	REAL300030339189	0	52	0.0	-72.20	389.46	3.87	-68.33
CC1CC[N@@H+]1CC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030339193	1	49	0.0	-68.95	373.51	3.45	-65.50
CC1CC[N@H+]1CC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030339193	1	49	0.0	-68.01	367.95	3.19	-64.82
C[NH+](C)CC=CC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030339207	0	49	0.0	-65.63	377.23	3.56	-62.07
CC1(C)C[NH+](CC(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)C1	REAL300030339220	1	52	0.0	-70.27	392.97	3.99	-66.28
CC1=C(C)[NH+]=C(CCC(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)N1	REAL300030339239	1	53	0.0	-55.88	412.48	3.68	-52.20
CC1=C2C=C(C(=O)N3CC4(NC(=O)C5=CC(=O)[N-]O5)CCC3CC4)C=CN2C=[NH+]1	REAL300030339250	1	50	0.0	-62.69	397.95	6.26	-56.43
C[NH+](C)CCSCC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030339260	0	52	0.0	-66.39	409.07	4.34	-62.05
O=C(C[N@H+]1CCCC1CO)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030339286	0	53	0.0	-69.38	391.92	0.44	-68.94
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CC[NH+](CC)CC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030339290	0	51	0.0	-68.40	377.86	3.69	-64.71
C[N@H+](CC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2)C1CCSC1	REAL300030339301	0	53	0.0	-75.84	401.55	4.61	-71.23
C[N@@H+](CC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2)C1CCSC1	REAL300030339301	1	53	0.0	-75.97	401.60	4.63	-71.34
O=C(C[NH+]1CCC1)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030339303	1	46	0.0	-70.44	352.51	2.86	-67.58
CC[NH+](CC)CCC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030339354	0	54	0.0	-59.85	400.12	4.31	-55.54
C[NH+](C)CC1=CNC(C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)=C1	REAL300030339421	0	53	0.0	-65.64	402.80	3.87	-61.77
CC(C(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2)[NH+]1CCC(O)CC1	REAL300030339440	0	56	0.0	-70.72	410.07	1.19	-69.53
O=C(NC12CCC(CC1)N(C(=O)C1CC3COCC[N@@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300030339446	0	54	0.0	-69.50	395.97	2.53	-66.97
O=C(NC12CCC(CC1)N(C(=O)C1CC3COCC[N@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300030339446	1	54	0.0	-69.47	396.03	2.55	-66.92
CC(C(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2)[NH+]1CCC1	REAL300030339461	1	49	0.0	-72.12	369.54	3.18	-68.94
CCC(CC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2)C[NH+](C)C	REAL300030339468	0	57	0.0	-74.28	417.06	5.01	-69.27
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C[NH+](C)CC(C)(C)C(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030339476	0	54	0.0	-69.05	377.22	3.33	-65.72
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030339540	0	52	0.0	-69.22	374.43	3.65	-65.57
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030339540	1	52	0.0	-66.14	381.74	3.85	-62.29
CC1CN2CC[N@@H+]1CC2C(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030339555	0	55	0.0	-72.99	388.87	0.88	-72.11
CC1CN2CC[N@H+]1CC2C(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030339555	1	55	0.0	-72.72	390.58	1.00	-71.72
C[NH+](C)CC(O)CC(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030339576	0	52	0.0	-65.69	394.87	1.38	-64.31
C[NH+]1C2CCC1CC(C(=O)N1CC3(NC(=O)C4=CC(=O)[N-]O4)CCC1CC3)C2	REAL300030339579	0	56	0.0	-66.25	372.98	3.89	-62.36
C=CCC(C(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2)[NH+](C)C	REAL300030339612	0	52	0.0	-67.47	382.91	3.76	-63.71
O=C(NC12CCC(CC1)N(C(=O)C1CC3CCCC[N@@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300030339622	0	56	0.0	-68.23	405.26	4.89	-63.34
O=C(NC12CCC(CC1)N(C(=O)C1CC3CCCC[N@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300030339622	1	56	0.0	-67.17	404.51	4.92	-62.25
C[NH+]1CCC(C)(C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)CC1	REAL300030339633	0	55	0.0	-68.65	388.16	3.83	-64.82
C[NH+]1CCC(O)(CC(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)CC1	REAL300030339635	0	56	0.0	-67.97	409.87	2.78	-65.19
CC1=C2C=C(C(=O)NC34CCC(CC3)N(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300030339711	1	50	0.0	-77.50	391.14	6.31	-71.19
C[NH+](C)CCSCC(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030339719	0	52	0.0	-78.51	405.53	4.15	-74.36
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2COCC[N@@H+]2C1	REAL300030339726	0	54	0.0	-73.02	397.54	2.55	-70.47
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2COCC[N@H+]2C1	REAL300030339726	1	54	0.0	-72.44	397.57	2.54	-69.90
C[N@@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030339887	0	52	0.0	-75.34	387.69	3.47	-71.87
C[N@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030339887	1	52	0.0	-75.36	386.21	3.40	-71.96
C[N@@H+]1CCOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030339911	1	53	0.0	-84.11	397.92	3.21	-80.90
C[N@H+]1CCOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030339911	1	53	0.0	-79.32	398.38	3.32	-76.00
CC(C)[N@@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030340067	0	58	0.0	-71.91	429.50	5.12	-66.79
CC(C)[N@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030340067	1	58	0.0	-70.93	424.90	5.00	-65.93
CC1=[NH+]C=CN1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030340100	1	50	0.0	-72.62	397.12	4.53	-68.09
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)C1C[NH+]2CCC1CC2	REAL300030340128	0	56	0.0	-86.39	409.25	4.80	-81.59
C[C@@H]1[C@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)CC[N@@H+]1C	REAL300030340162	0	55	0.0	-79.08	403.38	4.26	-74.82
C[C@@H]1[C@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)CC[N@H+]1C	REAL300030340162	1	55	0.0	-79.21	410.08	4.58	-74.63
CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)CC[N@@H+]1C	REAL300030340164	0	58	0.0	-79.69	424.45	4.55	-75.14
CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)CC[N@H+]1C	REAL300030340164	1	58	0.0	-77.72	430.53	5.05	-72.67
CC[N@@H+]1CCOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030340171	1	56	0.0	-78.84	414.60	3.91	-74.93
CC[N@H+]1CCOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030340171	1	56	0.0	-90.65	422.83	4.02	-86.63
CC[NH+](CC)CC(F)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030340199	0	57	0.0	-77.69	431.32	5.03	-72.66
CC1CCC(C)[NH+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030340235	0	58	0.0	-73.44	425.09	5.04	-68.40
O=C(CCC[NH+]1CCCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030340238	0	58	0.0	-77.70	437.50	5.44	-72.26
O=C(CC[NH+]1CCCCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030340241	0	58	0.0	-77.94	431.67	5.33	-72.61
CC[N@@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030340244	0	58	0.0	-72.61	425.81	5.10	-67.51
CC[N@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030340244	1	58	0.0	-71.86	427.87	5.23	-66.63
C[NH+](C)C1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)CCC1	REAL300030340255	0	55	0.0	-84.46	397.49	4.31	-80.15
CC(C)[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)[NH+](C)C	REAL300030340262	0	57	0.0	-72.92	412.66	5.20	-67.72
C[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)C1CCC1	REAL300030340287	0	55	0.0	-74.16	413.77	4.90	-69.26
C[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)C1CCC1	REAL300030340287	1	55	0.0	-74.84	413.90	4.91	-69.93
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030340363	1	54	0.0	-74.43	414.21	4.68	-69.75
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030340363	1	54	0.0	-74.11	420.57	5.31	-68.80
C[N@@H+]1CCCC1CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030340368	0	58	0.0	-80.52	434.00	5.45	-75.07
C[N@H+]1CCCC1CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030340368	1	58	0.0	-75.20	428.53	4.98	-70.22
C[NH+]1CCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)CC1	REAL300030340388	0	55	0.0	-83.57	412.25	4.58	-78.99
C[N@@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030340427	0	55	0.0	-73.69	400.37	4.35	-69.34
C[N@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030340427	1	55	0.0	-74.45	399.84	4.33	-70.12
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)C1=CN2C=[NH+]C=C2C=C1	REAL300030340497	0	50	0.0	-78.40	397.83	6.43	-71.97
O=C(CC[NH+]1CCOCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030340504	1	56	0.0	-81.50	422.93	2.91	-78.59
CC1=C[NH+]=CN1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030340517	1	50	0.0	-76.25	397.43	5.26	-70.99
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)C12CCC[NH+]1CCC2	REAL300030340538	0	56	0.0	-81.80	411.23	4.95	-76.85
C[N@@H+]1CCC(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030340549	0	55	0.0	-80.92	414.25	4.52	-76.40
C[N@H+]1CCC(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030340549	1	55	0.0	-80.10	414.13	4.51	-75.59
CN(C)C1=CC=[NH+]C=C1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030340555	0	54	0.0	-87.72	417.35	3.77	-83.95
CCC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)[NH+](C)C	REAL300030340557	0	54	0.0	-71.80	396.42	4.06	-67.74
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)C1=CC2=C[NH+]=CN2C=C1	REAL300030340584	1	50	0.0	-84.75	398.11	6.43	-78.32
C[NH+](C)CCCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030340616	0	57	0.0	-79.78	431.59	4.98	-74.80
CC(C)C(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)[NH+](C)C	REAL300030340630	0	57	0.0	-77.31	411.00	4.36	-72.95
CCC[N@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030340631	0	57	0.0	-78.88	428.22	4.92	-73.96
CCC[N@@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030340631	1	57	0.0	-79.52	429.26	4.85	-74.67
CCC[N@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030340635	0	54	0.0	-76.86	406.90	4.33	-72.53
CCC[N@@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030340635	1	54	0.0	-76.80	406.91	4.33	-72.47
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)C12CC[N@H+](C1)CCC2	REAL300030340650	0	56	0.0	-78.59	409.34	4.15	-74.44
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)C12CC[N@@H+](C1)CCC2	REAL300030340650	1	56	0.0	-78.68	409.67	4.24	-74.44
C[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030340676	0	52	0.0	-75.14	386.14	3.39	-71.75
C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030340676	1	52	0.0	-72.67	394.12	3.91	-68.76
CC[NH+](CC)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030340711	0	54	0.0	-75.18	399.19	4.00	-71.18
CC1CC[NH+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)CC1	REAL300030340772	0	58	0.0	-77.62	430.24	5.40	-72.22
C[NH+](C)CC1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)CC1	REAL300030340794	0	55	0.0	-78.09	419.41	4.66	-73.43
C[NH+]1CCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)CC1	REAL300030340847	0	55	0.0	-83.57	412.25	4.58	-78.99
CC(C)[C@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)[NH+](C)C	REAL300030340863	0	57	0.0	-74.70	418.30	5.18	-69.52
CCC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)[NH+](CC)CC	REAL300030340891	0	60	0.0	-69.54	432.26	5.32	-64.22
CC[N@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030340932	0	54	0.0	-78.40	406.32	4.04	-74.36
CC[N@@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030340932	1	54	0.0	-78.82	407.77	4.12	-74.70
CC1CCC[N@@H+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030340962	0	55	0.0	-73.71	411.95	4.76	-68.95
CC1CCC[N@H+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030340962	1	55	0.0	-73.54	411.88	4.75	-68.79
CC1CC[N@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030340964	0	55	0.0	-76.04	413.45	4.78	-71.26
CC1CC[N@@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030340964	1	55	0.0	-75.22	411.85	4.65	-70.57
CC1(C)CC[N@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030340968	0	58	0.0	-76.25	433.25	5.26	-70.99
CC1(C)CC[N@@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030340968	1	58	0.0	-76.36	433.03	5.15	-71.21
C[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)CC(C)(C)C	REAL300030340969	0	60	0.0	-76.49	435.84	5.43	-71.06
C[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)CC(C)(C)C	REAL300030340969	1	60	0.0	-76.55	438.07	5.58	-70.97
CC[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)[NH+](C)C	REAL300030340977	0	54	0.0	-72.56	396.03	3.85	-68.71
C[NH+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341081	0	48	0.0	-77.01	367.67	2.91	-74.10
O=C(C[NH+]1CCCCCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341085	0	58	0.0	-75.70	418.63	4.96	-70.74
CN1C=C[N+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)=C1	REAL300030341088	0	50	0.0	-73.87	398.90	6.43	-67.44
C[N@@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030341093	0	55	0.0	-67.73	404.53	4.68	-63.05
C[N@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030341093	1	55	0.0	-77.56	410.79	4.47	-73.09
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)C1CCC[N@@H+]1C1CC1	REAL300030341098	0	56	0.0	-71.45	424.06	5.48	-65.97
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)C1CCC[N@H+]1C1CC1	REAL300030341098	1	56	0.0	-76.50	416.65	4.70	-71.80
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)[NH+]1CCC1	REAL300030341114	1	52	0.0	-74.15	395.43	3.97	-70.18
CCC(CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)C[NH+](C)C	REAL300030341118	0	60	0.0	-79.84	438.95	5.42	-74.42
C[NH+](C)CC(C)(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341123	0	57	0.0	-77.27	417.98	4.67	-72.60
O=C(C[NH+]1CCC(O)CC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341138	1	56	0.0	-81.21	420.48	1.44	-79.77
C[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)C1CC1	REAL300030341139	0	52	0.0	-74.20	397.08	4.32	-69.88
C[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)C1CC1	REAL300030341139	1	52	0.0	-74.35	397.07	4.32	-70.03
C[NH+]1CC(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030341155	0	52	0.0	-78.14	399.11	3.73	-74.41
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341166	0	58	0.0	-73.84	412.72	4.11	-69.73
CC(C)(C)[N@H+]1CCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341166	1	58	0.0	-73.71	414.65	3.89	-69.82
C[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)[NH+](C)C	REAL300030341177	0	51	0.0	-75.65	385.58	3.31	-72.34
[NH2+]=C1SC=CN1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341236	0	48	0.0	-72.24	394.74	3.10	-69.14
C[N@H+](CCO)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341243	0	55	0.0	-78.22	418.12	0.91	-77.31
C[N@@H+](CCO)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341243	1	55	0.0	-76.93	416.97	0.98	-75.95
C[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)[NH+](C)C	REAL300030341244	0	51	0.0	-75.65	385.58	3.31	-72.34
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341248	0	55	0.0	-73.38	400.47	4.45	-68.93
C[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341248	1	55	0.0	-73.55	408.22	4.46	-69.09
O=C(C[NH+]1CCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341298	1	49	0.0	-77.21	377.97	3.39	-73.82
C[N@@H+]1CCC(=CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030341317	0	53	0.0	-80.53	406.54	4.45	-76.08
C[N@H+]1CCC(=CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030341317	1	53	0.0	-80.18	405.07	4.40	-75.78
C[NH+](C)CCOCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341340	0	55	0.0	-75.95	423.48	3.97	-71.98
C=CCC(C)(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)[NH+](C)C	REAL300030341354	0	58	0.0	-69.73	421.17	4.92	-64.81
C[S+](C)CCC(O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341358	0	54	0.0	-84.20	432.89	2.69	-81.51
C[N@@H+]1CC(O)CC1(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341377	0	56	0.0	-85.85	412.60	1.00	-84.85
CC1CN(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030341396	0	52	0.0	-76.93	398.64	4.00	-72.93
CC1C[NH+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030341396	1	52	0.0	-76.93	398.64	4.00	-72.93
CN(CCO)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341414	0	52	0.0	-77.60	394.31	0.28	-77.32
C[N@H+](CCO)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341414	1	52	0.0	-77.25	395.58	0.33	-76.92
C[N@@H+](CCO)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341414	1	52	0.0	-77.25	395.58	0.33	-76.92
CC[N@@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030341434	0	58	0.0	-76.18	429.93	5.20	-70.98
CC[N@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030341434	1	58	0.0	-76.18	429.93	5.20	-70.98
CC(CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)C[NH+](C)C	REAL300030341436	0	57	0.0	-84.21	424.36	4.92	-79.29
CC[N@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341441	0	51	0.0	-76.50	385.41	3.59	-72.91
CC[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)C1CC1	REAL300030341474	0	55	0.0	-74.43	410.66	4.67	-69.76
CC[NH+](CC)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341484	0	57	0.0	-77.58	419.81	4.56	-73.02
CC1(C)CN(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030341502	0	55	0.0	-76.77	417.23	4.58	-72.19
CC1(C)C[NH+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030341502	1	55	0.0	-76.77	417.23	4.58	-72.19
CC1(O)CC[N@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030341520	0	56	0.0	-74.97	424.06	1.44	-73.53
C[NH+](C)CC=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341524	0	52	0.0	-81.32	405.27	4.28	-77.04
CC(OCC[NH+](C)C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341533	0	58	0.0	-73.06	443.33	4.66	-68.40
C[NH+](C)CCOCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341539	0	58	0.0	-78.11	443.05	3.63	-74.48
COCCN(C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341540	0	55	0.0	-76.86	417.83	2.73	-74.13
COCC[N@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341540	1	55	0.0	-77.90	416.56	2.68	-75.22
COCC[N@@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341540	1	55	0.0	-77.90	416.56	2.68	-75.22
C[NH+](C)C1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)CCCC1	REAL300030341560	0	58	0.0	-83.88	418.08	5.45	-78.43
CC(CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)[NH+](C)C	REAL300030341562	0	57	0.0	-82.40	420.19	4.69	-77.71
CCN1CCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341568	0	52	0.0	-74.17	392.84	3.74	-70.43
CC[N@@H+]1CCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341568	1	52	0.0	-76.71	399.33	3.88	-72.83
CC[N@H+]1CCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341568	1	52	0.0	-76.71	399.33	3.88	-72.83
O=C(C[N@H+]1CCCC1CO)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341581	0	56	0.0	-75.53	415.91	0.88	-74.65
C[NH+]1CCC(C)(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)CC1	REAL300030341603	0	58	0.0	-73.61	423.44	4.91	-68.70
C=CCC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)[NH+](C)C	REAL300030341622	0	55	0.0	-72.79	411.11	4.43	-68.36
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341629	0	58	0.0	-73.30	432.30	5.20	-68.10
C[NH+](C)CCCCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341631	0	60	0.0	-79.23	454.53	5.82	-73.41
CCCC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)[NH+](C)C	REAL300030341652	0	57	0.0	-75.64	422.95	5.30	-70.34
C[NH+](C)C(C)(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341655	0	54	0.0	-82.71	395.13	4.06	-78.65
C[N@@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341681	0	55	0.0	-74.45	399.84	4.33	-70.12
C[N@H+]1CC=C(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)CC1	REAL300030341705	0	56	0.0	-71.60	427.20	5.34	-66.26
C[N@@H+]1CC=C(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)CC1	REAL300030341705	1	56	0.0	-71.60	427.20	5.34	-66.26
O=C(C=CC[NH+]1CCCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341745	0	56	0.0	-81.00	429.97	5.35	-75.65
O=C(CC[NH+]1CCCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341778	0	55	0.0	-77.84	416.37	4.74	-73.10
C[N@@H+]1CC2CC1(C(=O)NC1CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C1)C2	REAL300030341807	0	53	0.0	-81.59	398.81	4.18	-77.41
O=C(C[N@@H+]1CC2CCC1C2)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341814	0	56	0.0	-74.93	414.70	5.01	-69.92
O=C(C[N@H+]1CC2CCC1C2)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341814	1	56	0.0	-74.93	414.70	5.01	-69.92
O=C(C[N@@H+]1CC2C=CC1C2)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341854	1	54	0.0	-72.23	407.29	4.81	-67.42
O=C(C[N@H+]1CC2C=CC1C2)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341854	1	54	0.0	-74.99	407.18	4.99	-70.00
CC(C[NH+](C)C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341886	0	54	0.0	-78.55	406.07	4.19	-74.36
C[N@@H+]1CCCCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341936	0	58	0.0	-69.48	419.40	4.97	-64.51
C[N@H+]1CCCCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341936	1	58	0.0	-69.05	418.31	5.02	-64.03
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)[NH+]1CC(C)C1	REAL300030341946	1	55	0.0	-73.83	414.15	4.69	-69.14
CC1CC[N@@H+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341948	1	52	0.0	-73.84	392.28	3.78	-70.06
CC1CC[N@H+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341948	1	52	0.0	-75.74	399.43	4.11	-71.63
C[NH+](C)CC(O)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341951	0	55	0.0	-82.88	420.09	1.94	-80.94
CC1C[N@H+](C)CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)O1	REAL300030341971	1	56	0.0	-91.36	418.33	4.13	-87.23
CC1C[N@@H+](C)CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)O1	REAL300030341971	1	56	0.0	-93.78	419.42	3.79	-89.99
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030342018	0	55	0.0	-78.38	416.12	4.69	-73.69
CC(CC[NH+](C)C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030342024	0	57	0.0	-78.15	427.71	4.81	-73.34
C[NH+]1CCN(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)CC1	REAL300030342043	1	57	0.0	-75.23	425.64	2.46	-72.77
NC(=[NH2+])SCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030342067	0	46	0.0	-80.27	376.20	-0.23	-80.50
C[NH+](C)CCC1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)CC1	REAL300030342096	0	58	0.0	-79.72	443.03	5.54	-74.18
C[N@@H+]1CC=CCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030342097	0	56	0.0	-80.83	416.93	4.92	-75.91
C[N@H+]1CC=CCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030342097	1	56	0.0	-81.98	418.84	4.97	-77.01
C[C@@H](OCC[NH+](C)C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030342110	0	58	0.0	-74.51	442.28	4.70	-69.81
CCC1CN(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030342196	0	55	0.0	-77.43	418.88	4.70	-72.73
CCC1C[NH+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030342196	1	55	0.0	-77.43	418.88	4.70	-72.73
C[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030342201	0	52	0.0	-76.96	387.73	3.55	-73.41
O=C(CC[N@H+]1CCC(F)C1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030342207	0	55	0.0	-82.61	420.27	4.61	-78.00
CC1C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)CC[N@@H+]1C	REAL300030342226	0	55	0.0	-81.78	404.77	4.02	-77.76
CC1C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)CC[N@H+]1C	REAL300030342226	1	55	0.0	-81.78	404.77	4.02	-77.76
CN1CCOCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030342255	0	56	0.0	-72.93	410.80	2.58	-70.35
C[N@@H+]1CCOCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030342255	1	56	0.0	-84.32	416.50	2.67	-81.65
C[N@H+]1CCOCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030342255	1	56	0.0	-84.32	416.50	2.67	-81.65
C[N@@H+]1CCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030342426	0	52	0.0	-55.87	391.85	3.95	-51.92
CN1CCOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030342452	0	53	0.0	-63.77	395.33	3.16	-60.61
C[N@@H+]1CCOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030342452	1	53	0.0	-63.81	396.80	3.21	-60.60
C[N@H+]1CCOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030342452	1	53	0.0	-63.81	396.80	3.21	-60.60
O=C(CCN1CCOCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030342605	0	56	0.0	-60.70	424.70	3.17	-57.53
O=C(CC[NH+]1CCOCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030342605	1	56	0.0	-60.70	424.70	3.17	-57.53
O=C(NC1CN(C(=O)C23CCC[NH+]2CCC3)CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL300030342617	0	56	0.0	-54.21	407.92	4.46	-49.75
O=C(NC1CN(C(=O)C2=CC3=CN=CN3C=C2)CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL300030342623	0	50	0.0	-83.52	399.18	6.28	-77.24
O=C(NC1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL300030342623	1	50	0.0	-83.52	399.18	6.28	-77.24
C[N@@H+]1CCC(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030342654	0	55	0.0	-60.70	417.15	4.78	-55.92
C[N@H+]1CCC(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030342654	1	55	0.0	-60.70	417.15	4.78	-55.92
CCC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)[NH+](C)C	REAL300030342662	0	54	0.0	-55.45	398.37	4.10	-51.35
C[NH+](C)CCCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030342700	0	57	0.0	-61.96	434.79	5.29	-56.67
CC(C)C(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)[NH+](C)C	REAL300030342716	0	57	0.0	-61.17	409.89	4.48	-56.69
CCC[N@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030342717	0	57	0.0	-58.87	431.00	5.11	-53.76
CCC[N@@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030342717	1	57	0.0	-58.87	431.00	5.11	-53.76
CCC[N@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030342721	0	54	0.0	-57.05	408.61	4.51	-52.54
CCC[N@@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030342721	1	54	0.0	-57.05	408.61	4.51	-52.54
O=C(NC1CN(C(=O)C23CC[N@H+](C2)CCC3)CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL300030342736	0	56	0.0	-58.03	399.97	3.92	-54.11
O=C(NC1CN(C(=O)C23CC[N@@H+](C2)CCC3)CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL300030342736	1	56	0.0	-58.03	399.97	3.92	-54.11
C[NH+](C)CC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)CC1	REAL300030342810	0	55	0.0	-54.87	413.54	4.52	-50.35
CC[N@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030342829	0	54	0.0	-58.61	411.05	4.44	-54.17
CC[N@@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030342829	1	54	0.0	-58.61	411.05	4.44	-54.17
O=C(NC1CN(C(=O)C2C[NH+]3CCC2CC3)CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL300030342847	0	56	0.0	-62.27	407.22	4.59	-57.68
C[NH+]1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)CC1	REAL300030342896	0	55	0.0	-59.03	415.19	4.73	-54.30
CC(C)[C@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)[NH+](C)C	REAL300030342912	0	57	0.0	-54.53	412.32	4.66	-49.87
CC[NH+](CC)CC(F)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030342972	0	57	0.0	-78.46	425.07	4.72	-73.74
C[NH+](C)C1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)CCC1	REAL300030342993	0	55	0.0	-52.11	387.34	3.80	-48.31
CCC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)[NH+](CC)CC	REAL300030343021	0	60	0.0	-52.47	429.90	5.28	-47.19
CC1CCC[N@@H+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030343032	0	55	0.0	-54.55	409.46	4.52	-50.03
CC1CCC[N@H+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030343032	1	55	0.0	-54.24	416.14	4.93	-49.31
CC(C)[N@@H+]1CCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030343078	0	58	0.0	-52.94	426.31	5.05	-47.89
CC(C)[N@H+]1CCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030343078	1	58	0.0	-52.81	430.31	5.07	-47.74
CC(C)[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)[NH+](C)C	REAL300030343087	0	57	0.0	-54.60	411.96	4.58	-50.02
CC1CC[N@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030343101	0	55	0.0	-56.12	416.19	4.83	-51.29
CC1CC[N@@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030343101	1	55	0.0	-56.12	416.93	4.87	-51.25
CC1(C)CC[N@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030343105	0	58	0.0	-55.71	436.49	5.41	-50.30
CC1(C)CC[N@@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030343105	1	58	0.0	-55.62	434.97	5.34	-50.28
C[N@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)CC(C)(C)C	REAL300030343106	0	60	0.0	-56.34	437.38	5.49	-50.85
C[N@@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)CC(C)(C)C	REAL300030343106	1	60	0.0	-56.21	439.16	5.64	-50.57
CC[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)[NH+](C)C	REAL300030343114	0	54	0.0	-56.70	399.49	4.13	-52.57
CC1=[NH+]C=CN1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030343235	1	50	0.0	-56.46	397.75	4.65	-51.81
CC[N@@H+]1CCOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030343299	1	56	0.0	-61.92	420.02	4.00	-57.92
CC[N@H+]1CCOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030343299	1	56	0.0	-88.15	422.20	4.04	-84.11
O=C(NC1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL300030343329	0	50	0.0	-76.88	398.98	6.26	-70.62
CC1=C[NH+]=CN1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030343332	1	50	0.0	-59.24	398.15	5.40	-53.84
C[C@@H]1[C@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)CC[N@@H+]1C	REAL300030343339	0	55	0.0	-60.15	404.98	4.06	-56.09
C[C@@H]1[C@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)CC[N@H+]1C	REAL300030343339	1	55	0.0	-59.03	411.13	4.66	-54.37
CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)CC[N@@H+]1C	REAL300030343341	0	58	0.0	-59.20	426.66	4.71	-54.49
CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)CC[N@H+]1C	REAL300030343341	1	58	0.0	-56.38	428.37	5.17	-51.21
CC1CCC(C)[NH+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030343348	0	58	0.0	-53.49	428.59	5.19	-48.30
O=C(CCC[NH+]1CCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030343351	0	58	0.0	-59.73	437.67	5.58	-54.15
O=C(CC[NH+]1CCCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030343355	0	58	0.0	-57.90	433.43	5.59	-52.31
CC[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030343358	0	58	0.0	-54.84	421.12	5.09	-49.75
CC[N@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030343358	1	58	0.0	-52.16	426.65	5.24	-46.92
C[N@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)C1CCC1	REAL300030343456	0	55	0.0	-55.17	415.48	5.07	-50.10
C[N@@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)C1CCC1	REAL300030343456	1	55	0.0	-55.79	415.59	5.09	-50.70
C[NH+]1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)CC1	REAL300030343487	0	55	0.0	-59.03	415.19	4.73	-54.30
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030343517	0	52	0.0	-54.05	389.83	3.66	-50.39
C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030343517	1	52	0.0	-55.08	393.58	3.97	-51.11
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030343535	1	54	0.0	-54.41	414.61	4.85	-49.56
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030343535	1	54	0.0	-54.62	421.44	5.27	-49.35
C[N@@H+]1CCCC1CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030343540	0	58	0.0	-55.81	436.75	5.61	-50.20
C[N@H+]1CCCC1CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030343540	1	58	0.0	-59.36	432.82	5.21	-54.15
C[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030343614	0	55	0.0	-58.24	403.49	4.36	-53.88
C[N@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030343614	1	55	0.0	-55.16	400.35	4.26	-50.90
CC1C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)CC[N@@H+]1C	REAL300030343672	0	55	0.0	-58.93	413.33	4.45	-54.48
CC1C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)CC[N@H+]1C	REAL300030343672	1	55	0.0	-57.70	411.78	4.30	-53.40
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030343728	0	58	0.0	-52.72	406.33	4.12	-48.60
CC(C)(C)[N@H+]1CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030343728	1	58	0.0	-53.83	430.46	4.76	-49.07
C[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)[NH+](C)C	REAL300030343742	0	51	0.0	-55.69	387.01	3.54	-52.15
C=CCC(C)(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)[NH+](C)C	REAL300030343756	0	58	0.0	-56.11	413.36	4.57	-51.54
O=C(CC[NH+]1CCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030343773	0	55	0.0	-58.03	416.17	4.77	-53.26
C[N@H+](CCO)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030343782	1	52	0.0	-58.07	397.46	0.52	-57.55
C[N@@H+](CCO)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030343782	1	52	0.0	-57.08	397.42	0.53	-56.55
C[N@H+]1CC=C(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)CC1	REAL300030343840	0	56	0.0	-62.53	428.49	5.44	-57.09
C[N@@H+]1CC=C(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)CC1	REAL300030343840	1	56	0.0	-61.87	430.09	5.53	-56.34
C[S+](C)CCC(O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030343850	0	54	0.0	-52.84	428.03	2.54	-50.30
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030343863	0	56	0.0	-59.67	407.58	0.09	-59.58
C[N@H+]1CC(O)CC1(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030343863	1	56	0.0	-57.34	407.62	0.54	-56.80
CC1C[NH+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030343893	1	52	0.0	-56.91	400.76	4.16	-52.75
CC[N@@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030343899	0	58	0.0	-52.58	424.80	5.48	-47.10
CC[N@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C1	REAL300030343899	1	58	0.0	-57.91	432.85	5.34	-52.57
NC1=[NH+]C=CC=C1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030343903	0	51	0.0	-58.61	403.79	2.94	-55.67
O=C(NC1CN(C(=O)C2CCC[N@@H+]2C2CC2)CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL300030343911	0	56	0.0	-52.75	423.08	5.40	-47.35
O=C(NC1CN(C(=O)C2CCC[N@H+]2C2CC2)CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL300030343911	1	56	0.0	-52.41	411.94	4.69	-47.72
O=C(C=CC[NH+]1CCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030343941	0	56	0.0	-79.56	428.90	5.42	-74.14
CC[N@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030343986	0	51	0.0	-56.67	387.11	3.76	-52.91
O=C(CN1CC2C=CC1C2)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030344021	0	54	0.0	-55.62	410.05	5.05	-50.57
O=C(C[N@@H+]1CC2C=CC1C2)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030344021	1	54	0.0	-55.59	410.06	5.03	-50.56
O=C(C[N@H+]1CC2C=CC1C2)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030344021	1	54	0.0	-55.59	410.06	5.03	-50.56
CC(OCC[NH+](C)C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030344108	0	58	0.0	-58.89	440.61	4.65	-54.24
C[NH+](C)CCOCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030344115	0	58	0.0	-60.60	446.25	3.95	-56.65
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C[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030345312	1	55	0.0	-57.03	410.73	4.68	-52.35
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C[N@@H+]1CCCC1C(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030345598	0	52	0.0	-54.43	372.84	4.66	-49.77
C[N@H+]1CCCC1C(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030345598	1	52	0.0	-55.15	374.71	4.92	-50.23
CC(C)[N@@H+]1CCCC1C(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030345774	0	58	0.0	-52.65	406.07	5.84	-46.81
CC(C)[N@H+]1CCCC1C(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030345774	1	58	0.0	-52.15	408.55	5.98	-46.17
CC1=[NH+]C=CN1CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030345803	1	50	0.0	-53.18	380.07	5.53	-47.65
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C[C@@H]1[C@H](C(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC[N@H+]1C	REAL300030345859	1	55	0.0	-55.82	386.76	5.11	-50.71
CC[C@@H]1[C@@H](C(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC[N@@H+]1C	REAL300030345861	0	58	0.0	-59.09	405.70	5.47	-53.62
CC[C@@H]1[C@@H](C(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC[N@H+]1C	REAL300030345861	1	58	0.0	-55.24	410.81	5.91	-49.33
CC[N@@H+]1CCOC(C(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030345867	1	56	0.0	-53.81	405.45	4.80	-49.01
CC[N@H+]1CCOC(C(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030345867	1	56	0.0	-58.14	398.52	4.93	-53.21
CC[NH+](CC)CC(F)C(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030345889	0	57	0.0	-58.40	413.59	5.97	-52.43
CC1CCC(C)[NH+]1CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030345918	0	58	0.0	-52.85	407.25	5.92	-46.93
O=C(CCC[NH+]1CCCC1)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030345921	0	58	0.0	-58.97	419.86	6.42	-52.55
O=C(CC[NH+]1CCCCC1)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030345923	0	58	0.0	-55.88	414.17	6.36	-49.52
C[N@H+](CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CCC1	REAL300030345961	0	55	0.0	-53.28	396.85	5.90	-47.38
C[N@@H+](CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CCC1	REAL300030345961	1	55	0.0	-53.75	397.24	6.05	-47.70
C[N@@H+]1CCCC1CCC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030346033	0	58	0.0	-55.32	413.95	6.24	-49.08
C[N@H+]1CCCC1CCC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030346033	1	58	0.0	-59.40	411.23	5.87	-53.53
C[NH+]1CCC(C(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300030346050	0	55	0.0	-56.62	395.72	5.73	-50.89
O=C(NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=CN2C=[NH+]C=C2C=C1	REAL300030346135	0	50	0.0	-60.43	380.79	7.46	-52.97
O=C(CC[NH+]1CCOCC1)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030346142	1	56	0.0	-60.00	405.29	3.89	-56.11
CC1=C[NH+]=CN1CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030346153	1	50	0.0	-56.50	379.84	6.36	-50.14
C[N@@H+]1CCC(CC(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030346180	0	55	0.0	-59.92	398.08	5.63	-54.29
C[N@H+]1CCC(CC(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030346180	1	55	0.0	-60.49	396.24	5.43	-55.06
CCC(C(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300030346187	0	54	0.0	-54.53	382.82	5.08	-49.45
O=C(NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=CC2=C[NH+]=CN2C=C1	REAL300030346207	1	50	0.0	-59.75	380.85	7.35	-52.40
C[NH+](C)CCCCC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030346236	0	57	0.0	-61.55	415.40	6.02	-55.53
CCC[N@H+](C)CCC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030346249	0	57	0.0	-58.44	411.62	5.84	-52.60
CCC[N@@H+](C)CCC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030346249	1	57	0.0	-56.87	412.22	5.90	-50.97
CCC[N@H+](C)CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030346252	0	54	0.0	-55.09	390.35	5.48	-49.61
CCC[N@@H+](C)CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030346252	1	54	0.0	-55.04	389.86	5.33	-49.71
O=C(NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C12CC[N@H+](C1)CCC2	REAL300030346264	0	56	0.0	-60.17	391.92	5.18	-54.99
O=C(NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C12CC[N@@H+](C1)CCC2	REAL300030346264	1	56	0.0	-60.05	392.23	5.06	-54.99
C[N@@H+]1CCC[C@@H]1C(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030346287	0	52	0.0	-52.78	367.21	4.38	-48.40
C[N@H+]1CCC[C@@H]1C(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030346287	1	52	0.0	-53.28	375.93	4.99	-48.29
CC[NH+](CC)CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030346316	0	54	0.0	-54.96	381.52	4.96	-50.00
CC1CC[NH+](CC(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300030346367	0	58	0.0	-55.45	412.64	6.39	-49.06
C[NH+](C)CC1(C(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300030346384	0	55	0.0	-57.19	401.56	5.74	-51.45
C[NH+]1CCC(C(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300030346427	0	55	0.0	-56.62	395.72	5.73	-50.89
CCC(C(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](CC)CC	REAL300030346454	0	60	0.0	-52.12	414.43	6.31	-45.81
CC[N@H+](C)CCC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030346492	0	54	0.0	-58.00	390.13	5.10	-52.90
CC[N@@H+](C)CCC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030346492	1	54	0.0	-57.77	390.13	5.10	-52.67
CC1CCC[N@@H+]1CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030346519	0	55	0.0	-52.14	396.40	5.84	-46.30
CC1CCC[N@H+]1CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030346519	1	55	0.0	-52.07	389.07	5.21	-46.86
CC1CC[N@H+](CC(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030346521	0	55	0.0	-54.29	396.84	5.57	-48.72
CC1CC[N@@H+](CC(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030346521	1	55	0.0	-55.17	395.74	5.72	-49.45
CC1(C)CC[N@H+](CC(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030346524	0	58	0.0	-55.21	416.40	6.33	-48.88
CC1(C)CC[N@@H+](CC(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030346524	1	58	0.0	-54.33	415.38	6.10	-48.23
C[N@H+](CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)CC(C)(C)C	REAL300030346525	0	60	0.0	-54.27	418.99	6.46	-47.81
C[N@@H+](CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)CC(C)(C)C	REAL300030346525	1	60	0.0	-54.87	420.13	6.46	-48.41
CC[C@@H](C(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300030346532	0	54	0.0	-55.62	380.53	5.12	-50.50
C[NH+](C)CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030346621	0	48	0.0	-57.38	350.03	3.90	-53.48
O=C(C[NH+]1CCCCCC1)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030346624	0	58	0.0	-55.17	401.73	6.02	-49.15
CN1C=C[N+](CC(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)=C1	REAL300030346627	0	50	0.0	-54.03	380.91	7.31	-46.72
C[N@@H+]1CCCC(C(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030346631	0	55	0.0	-55.27	384.21	5.57	-49.70
C[N@H+]1CCCC(C(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030346631	1	55	0.0	-59.45	394.62	5.51	-53.94
O=C(NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CCC[N@@H+]1C1CC1	REAL300030346635	0	56	0.0	-51.91	407.00	6.30	-45.61
O=C(NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CCC[N@H+]1C1CC1	REAL300030346635	1	56	0.0	-51.34	401.07	6.16	-45.18
CC(C(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+]1CCC1	REAL300030346648	1	52	0.0	-54.20	381.17	5.17	-49.03
CCC(CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C[NH+](C)C	REAL300030346652	0	60	0.0	-60.80	424.69	6.50	-54.30
O=C(C[NH+]1CCC(O)CC1)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030346669	1	56	0.0	-58.61	403.80	2.56	-56.05
C[N@H+](CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CC1	REAL300030346670	0	52	0.0	-52.98	380.04	5.35	-47.63
C[N@@H+](CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CC1	REAL300030346670	1	52	0.0	-53.15	379.89	5.34	-47.81
C[NH+]1CC(CC(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030346683	0	52	0.0	-60.28	381.48	4.71	-55.57
CC(C)(C)[N@@H+]1CCC1C(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030346693	0	58	0.0	-53.36	386.61	5.34	-48.02
CC(C)(C)[N@H+]1CCC1C(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030346693	1	58	0.0	-50.97	412.82	5.80	-45.17
C[C@@H](C(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300030346704	0	51	0.0	-54.54	368.95	4.34	-50.20
[NH2+]=C1SC=CN1CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030346755	0	48	0.0	-51.21	377.71	4.09	-47.12
C[N@H+](CCO)CCC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030346761	0	55	0.0	-56.56	401.07	1.94	-54.62
C[N@@H+](CCO)CCC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030346761	1	55	0.0	-58.35	400.78	1.90	-56.45
C[C@@H](C(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300030346762	0	51	0.0	-54.54	368.95	4.34	-50.20
C[N@@H+]1CCCC[C@@H]1C(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030346766	0	55	0.0	-55.99	378.68	5.23	-50.76
C[N@H+]1CCCC[C@@H]1C(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030346766	1	55	0.0	-53.32	392.66	5.62	-47.70
C[N@@H+]1CCC(=CC(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030346826	0	53	0.0	-63.98	388.51	5.52	-58.46
C[N@H+]1CCC(=CC(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030346826	1	53	0.0	-63.24	390.32	5.65	-57.59
C[NH+](C)CCOCC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030346846	0	55	0.0	-59.16	406.22	4.89	-54.27
C=CCC(C)(C(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300030346859	0	58	0.0	-50.45	401.88	5.75	-44.70
C[S+](C)CCC(O)C(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030346863	0	54	0.0	-50.55	414.87	3.46	-47.09
CC1CN(CC(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030346896	0	52	0.0	-56.25	382.15	5.20	-51.05
CC1C[NH+](CC(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030346896	1	52	0.0	-56.25	382.15	5.20	-51.05
CN(CCO)CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030346913	0	52	0.0	-56.41	378.47	1.33	-55.08
C[N@H+](CCO)CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030346913	1	52	0.0	-54.44	378.72	1.36	-53.08
C[N@@H+](CCO)CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030346913	1	52	0.0	-54.44	378.72	1.36	-53.08
CC[N@@H+]1CCCC(C(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030346930	0	58	0.0	-54.93	407.14	6.54	-48.39
CC[N@H+]1CCCC(C(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030346930	1	58	0.0	-54.93	407.14	6.54	-48.39
CC(CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C[NH+](C)C	REAL300030346932	0	57	0.0	-60.42	406.66	5.89	-54.53
CC[N@H+](C)CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030346936	0	51	0.0	-54.73	368.37	4.59	-50.14
CC[N@H+](CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CC1	REAL300030346965	0	55	0.0	-53.84	396.01	5.84	-48.00
CC[NH+](CC)CCC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030346974	0	57	0.0	-56.72	408.16	5.88	-50.84
CC1(O)CC[N@H+](CC(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030347008	0	56	0.0	-54.40	407.94	2.51	-51.89
C[NH+](C)CC=CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030347011	0	52	0.0	-62.76	387.25	5.15	-57.61
CC(OCC[NH+](C)C)C(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030347017	0	58	0.0	-58.23	426.01	5.58	-52.65
C[NH+](C)CCOCCC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030347023	0	58	0.0	-60.35	426.86	4.68	-55.67
COCCN(C)CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030347024	0	55	0.0	-54.23	400.97	3.76	-50.47
COCC[N@H+](C)CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030347024	1	55	0.0	-55.53	401.47	3.90	-51.63
COCC[N@@H+](C)CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030347024	1	55	0.0	-55.53	401.47	3.90	-51.63
CC(CCC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300030347041	0	57	0.0	-56.97	403.56	5.57	-51.40
CCN1CCC1C(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030347047	0	52	0.0	-54.15	375.23	4.65	-49.50
CC[N@@H+]1CCC1C(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030347047	1	52	0.0	-53.55	382.78	5.04	-48.51
CC[N@H+]1CCC1C(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030347047	1	52	0.0	-53.55	382.78	5.04	-48.51
O=C(C[N@H+]1CCCC1CO)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030347059	0	56	0.0	-54.32	403.43	2.52	-51.80
C=CCC(C(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300030347091	0	55	0.0	-54.98	394.13	5.43	-49.55
C[N@@H+]1CC(C)(C)CC1C(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030347095	0	58	0.0	-54.96	415.99	6.09	-48.87
C[NH+](C)CCCCCC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030347097	0	60	0.0	-62.79	436.90	6.80	-55.99
CCCC(C(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300030347117	0	57	0.0	-54.91	404.44	5.84	-49.07
C[N@@H+]1CCCCC1C(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030347140	0	55	0.0	-51.87	392.33	5.45	-46.42
C[N@H+]1CC=C(CC(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300030347161	0	56	0.0	-61.32	409.11	6.13	-55.19
C[N@@H+]1CC=C(CC(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300030347161	1	56	0.0	-61.32	409.11	6.13	-55.19
O=C(C=CC[NH+]1CCCC1)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030347195	0	56	0.0	-60.98	412.33	6.31	-54.67
O=C(CC[NH+]1CCCC1)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030347221	0	55	0.0	-57.32	398.36	5.62	-51.70
O=C(C[N@@H+]1CC2CCC1C2)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030347252	0	56	0.0	-54.01	398.07	6.17	-47.84
CC(C[NH+](C)C)C(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030347312	0	54	0.0	-58.49	388.44	5.17	-53.32
C[N@@H+]1CCCCC1CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030347357	0	58	0.0	-54.41	402.75	6.02	-48.39
C[N@H+]1CCCCC1CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030347357	1	58	0.0	-54.41	402.75	6.02	-48.39
CC(C(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)N1CC(C)C1	REAL300030347366	0	55	0.0	-54.83	398.32	5.74	-49.09
CC(C(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+]1CC(C)C1	REAL300030347366	1	55	0.0	-54.83	398.32	5.74	-49.09
CC1CCN1CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030347368	0	52	0.0	-53.84	376.85	4.79	-49.05
CC1CC[N@@H+]1CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030347368	1	52	0.0	-53.72	382.86	5.20	-48.52
CC1CC[N@H+]1CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030347368	1	52	0.0	-53.72	382.86	5.20	-48.52
C[NH+](C)CC(O)CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030347370	0	55	0.0	-62.07	402.73	2.81	-59.26
CC1CN(C)CC(C(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)O1	REAL300030347385	0	56	0.0	-60.32	401.46	4.88	-55.44
CC1C[N@H+](C)CC(C(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)O1	REAL300030347385	1	56	0.0	-55.42	408.86	4.89	-50.53
CC1C[N@@H+](C)CC(C(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)O1	REAL300030347385	1	56	0.0	-55.42	408.86	4.89	-50.53
C[NH+](C)[C@H]1C[C@H](C(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030347428	0	55	0.0	-60.50	399.36	5.58	-54.92
CC(CC[NH+](C)C)C(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030347434	0	57	0.0	-61.48	410.07	5.78	-55.70
CN1CCN(CC(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300030347449	0	57	0.0	-61.15	409.42	3.49	-57.66
C[NH+]1CCN(CC(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300030347449	1	57	0.0	-61.15	409.42	3.49	-57.66
NC(=[NH2+])SCC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030347471	0	46	0.0	-56.34	358.56	0.76	-55.58
C[N@@H+]1CC=CCC1CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030347495	0	56	0.0	-54.11	396.74	5.93	-48.18
C[N@H+]1CC=CCC1CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030347495	1	56	0.0	-54.11	396.74	5.93	-48.18
C[C@@H](OCC[NH+](C)C)C(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030347508	0	58	0.0	-59.62	425.17	5.50	-54.12
C[N@H+]1CCC[C@H]1C(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030347578	1	52	0.0	-52.60	367.01	4.32	-48.28
O=C(CC[N@@H+]1CCC(F)C1)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030347584	1	55	0.0	-60.72	405.00	5.80	-54.92
O=C(C[NH+]1CCCCC1)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030347597	0	55	0.0	-55.17	392.13	5.86	-49.31
CC1C(C(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC[N@@H+]1C	REAL300030347602	0	55	0.0	-57.15	386.45	5.14	-52.01
CC1C(C(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC[N@H+]1C	REAL300030347602	1	55	0.0	-58.30	391.87	5.31	-52.99
CN1CCOCC1CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030347629	0	56	0.0	-57.76	393.50	3.53	-54.23
C[N@@H+]1CCOCC1CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030347629	1	56	0.0	-59.76	400.21	3.73	-56.03
C[N@H+]1CCOCC1CC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030347629	1	56	0.0	-57.76	393.50	3.53	-54.23
C[N@H+]1CCCC1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030347797	1	52	0.0	-60.47	376.64	4.98	-55.49
O=C(CC[NH+]1CCOCC1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030347975	1	56	0.0	-68.20	409.49	4.31	-63.89
O=C(NC12CCCC1N(C(=O)C1=CC3=C[NH+]=CN3C=C1)CCC2)C1=CC(=O)[N-]O1	REAL300030347988	1	50	0.0	-68.35	385.38	7.31	-61.04
C[N@@H+]1CCC(CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)C1	REAL300030348016	0	55	0.0	-64.01	400.31	5.75	-58.26
C[N@H+]1CCC(CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)C1	REAL300030348016	1	55	0.0	-67.32	399.98	5.78	-61.54
CCC(C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12)[NH+](C)C	REAL300030348023	0	54	0.0	-61.84	378.60	4.82	-57.02
C[NH+](C)CCCCC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030348058	0	57	0.0	-67.45	419.59	6.42	-61.03
CCC[N@H+](C)CCC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030348073	0	57	0.0	-65.96	415.19	6.04	-59.92
CCC[N@@H+](C)CCC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030348073	1	57	0.0	-65.54	415.19	6.04	-59.50
CCC[N@H+](C)CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030348076	0	54	0.0	-64.94	393.34	5.59	-59.35
CCC[N@@H+](C)CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030348076	1	54	0.0	-63.94	393.05	5.58	-58.36
O=C(NC12CCCC1N(C(=O)C13CC[N@H+](C1)CCC3)CCC2)C1=CC(=O)[N-]O1	REAL300030348088	0	56	0.0	-68.59	385.44	4.82	-63.77
O=C(NC12CCCC1N(C(=O)C13CC[N@@H+](C1)CCC3)CCC2)C1=CC(=O)[N-]O1	REAL300030348088	1	56	0.0	-63.05	385.90	4.86	-58.19
CC1CC[NH+](CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)CC1	REAL300030348118	0	58	0.0	-64.15	416.18	6.50	-57.65
C[NH+](C)CC1(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)CC1	REAL300030348149	0	55	0.0	-51.47	400.96	5.68	-45.79
CC[N@H+](C)CCC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030348165	0	54	0.0	-65.25	393.69	5.29	-59.96
CC[N@@H+](C)CCC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030348165	1	54	0.0	-64.93	393.69	5.29	-59.64
O=C(NC12CCCC1N(C(=O)C1C[NH+]3CCC1CC3)CCC2)C1=CC(=O)[N-]O1	REAL300030348182	0	56	0.0	-76.76	391.47	5.63	-71.13
C[NH+]1CCC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)CC1	REAL300030348222	0	55	0.0	-65.79	394.42	5.59	-60.20
CC[NH+](CC)CC(F)C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030348284	0	57	0.0	-57.05	414.28	5.92	-51.13
CCC(C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12)[NH+](CC)CC	REAL300030348317	0	60	0.0	-58.42	414.46	6.16	-52.26
CC1CCC[N@@H+]1CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030348327	0	55	0.0	-62.34	392.62	5.51	-56.83
CC1CCC[N@H+]1CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030348327	1	55	0.0	-62.25	398.88	5.90	-56.35
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030348369	0	58	0.0	-60.84	409.10	6.05	-54.79
CC(C)[N@H+]1CCCC1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030348369	1	58	0.0	-61.46	409.50	6.15	-55.31
CC1CC[N@H+](CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)C1	REAL300030348389	0	55	0.0	-63.23	398.65	5.78	-57.45
CC1CC[N@@H+](CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)C1	REAL300030348389	1	55	0.0	-63.77	399.25	5.85	-57.92
CC1(C)CC[N@H+](CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)C1	REAL300030348392	0	58	0.0	-63.75	419.16	6.40	-57.35
CC1(C)CC[N@@H+](CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)C1	REAL300030348392	1	58	0.0	-64.33	420.03	6.48	-57.85
C[N@H+](CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12)CC(C)(C)C	REAL300030348393	0	60	0.0	-64.04	422.64	6.58	-57.46
C[N@@H+](CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12)CC(C)(C)C	REAL300030348393	1	60	0.0	-65.30	424.19	6.71	-58.59
CC[C@@H](C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12)[NH+](C)C	REAL300030348400	0	54	0.0	-68.02	384.67	5.28	-62.74
CC1=[NH+]C=CN1CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030348511	1	50	0.0	-58.75	382.39	5.69	-53.06
CC[N@@H+]1CCOC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)C1	REAL300030348567	1	56	0.0	-65.80	404.88	4.85	-60.95
CC[N@H+]1CCOC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)C1	REAL300030348567	1	56	0.0	-78.44	404.49	4.94	-73.50
O=C(NC12CCCC1N(C(=O)C1=CN3C=[NH+]C=C3C=C1)CCC2)C1=CC(=O)[N-]O1	REAL300030348591	0	50	0.0	-71.94	388.53	7.40	-64.54
CC1=C[NH+]=CN1CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030348594	1	50	0.0	-66.38	383.07	6.47	-59.91
C[C@@H]1[C@H](C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)CC[N@@H+]1C	REAL300030348600	0	55	0.0	-71.37	390.16	5.11	-66.26
C[C@@H]1[C@H](C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)CC[N@H+]1C	REAL300030348600	1	55	0.0	-59.55	380.75	5.53	-54.02
CC[C@@H]1[C@@H](C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)CC[N@@H+]1C	REAL300030348602	0	58	0.0	-69.32	407.07	5.65	-63.67
CC[C@@H]1[C@@H](C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)CC[N@H+]1C	REAL300030348602	1	58	0.0	-68.73	413.40	6.00	-62.73
CC1CCC(C)[NH+]1CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030348608	0	58	0.0	-61.34	411.26	6.13	-55.21
O=C(CCC[NH+]1CCCC1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030348611	0	58	0.0	-64.06	423.42	6.60	-57.46
O=C(CC[NH+]1CCCCC1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030348614	0	58	0.0	-65.34	418.21	6.73	-58.61
C[N@H+](CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12)C1CCC1	REAL300030348696	0	55	0.0	-61.88	399.99	6.13	-55.75
C[N@@H+](CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12)C1CCC1	REAL300030348696	1	55	0.0	-63.95	400.13	6.14	-57.81
C[NH+]1CCC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)CC1	REAL300030348725	0	55	0.0	-65.79	394.42	5.59	-60.20
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030348749	0	52	0.0	-57.21	369.07	4.85	-52.36
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030348749	1	52	0.0	-64.50	378.69	4.97	-59.53
C[N@@H+]1CCCC1CCC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030348768	0	58	0.0	-63.10	415.53	6.17	-56.93
C[N@H+]1CCCC1CCC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030348768	1	58	0.0	-65.99	416.05	6.34	-59.65
CC1C(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)CC[N@@H+]1C	REAL300030348876	0	55	0.0	-67.55	391.72	5.19	-62.36
CC1C(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)CC[N@H+]1C	REAL300030348876	1	55	0.0	-64.90	383.82	5.24	-59.66
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030348920	0	58	0.0	-65.16	394.28	4.79	-60.37
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030348920	1	58	0.0	-63.67	415.40	5.81	-57.86
C[C@@H](C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12)[NH+](C)C	REAL300030348934	0	51	0.0	-63.91	369.92	4.46	-59.45
C=CCC(C)(C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12)[NH+](C)C	REAL300030348948	0	58	0.0	-69.42	396.97	5.62	-63.80
O=C(CC[NH+]1CCCC1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030348965	0	55	0.0	-64.97	401.92	5.79	-59.18
C[N@H+](CCO)CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030348974	1	52	0.0	-63.14	381.90	1.61	-61.53
C[N@@H+](CCO)CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030348974	1	52	0.0	-64.21	382.21	1.64	-62.57
C[N@H+]1CC=C(CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)CC1	REAL300030349025	0	56	0.0	-63.52	412.91	6.49	-57.03
C[N@@H+]1CC=C(CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)CC1	REAL300030349025	1	56	0.0	-62.18	412.87	6.40	-55.78
C[S+](C)CCC(O)C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349033	0	54	0.0	-77.14	414.28	3.35	-73.79
CC1C[NH+](CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)C1	REAL300030349073	1	52	0.0	-64.00	384.87	5.12	-58.88
CC[N@@H+]1CCCC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)C1	REAL300030349077	0	58	0.0	-57.93	404.10	6.35	-51.58
CC[N@H+]1CCCC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)C1	REAL300030349077	1	58	0.0	-67.71	414.90	6.22	-61.49
NC1=[NH+]C=CC=C1CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349081	0	51	0.0	-56.25	387.72	3.99	-52.26
O=C(NC12CCCC1N(C(=O)C1CCC[N@@H+]1C1CC1)CCC2)C1=CC(=O)[N-]O1	REAL300030349087	0	56	0.0	-60.11	407.90	6.49	-53.62
O=C(NC12CCCC1N(C(=O)C1CCC[N@H+]1C1CC1)CCC2)C1=CC(=O)[N-]O1	REAL300030349087	1	56	0.0	-59.35	404.35	6.26	-53.09
O=C(C=CC[NH+]1CCCC1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349113	0	56	0.0	-69.58	414.74	6.57	-63.01
CC[N@H+](C)CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349148	0	51	0.0	-64.76	371.57	4.80	-59.96
O=C(CN1CC2C=CC1C2)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349178	0	54	0.0	-62.65	393.22	6.02	-56.63
O=C(C[N@@H+]1CC2C=CC1C2)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349178	1	54	0.0	-64.06	392.80	6.00	-58.06
O=C(C[N@H+]1CC2C=CC1C2)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349178	1	54	0.0	-64.06	392.80	6.00	-58.06
CC(OCC[NH+](C)C)C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349255	0	58	0.0	-57.29	424.93	5.63	-51.66
C[NH+](C)CCOCCC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349262	0	58	0.0	-63.35	431.04	5.09	-58.26
COCCN(C)CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349264	0	55	0.0	-63.53	404.46	4.04	-59.49
COCC[N@H+](C)CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349264	1	55	0.0	-63.22	404.15	4.01	-59.21
COCC[N@@H+](C)CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349264	1	55	0.0	-63.22	404.15	4.01	-59.21
CC(CCC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12)[NH+](C)C	REAL300030349267	0	57	0.0	-65.44	407.86	6.00	-59.44
CC[N@H+](CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12)C1CC1	REAL300030349282	0	55	0.0	-62.67	400.58	6.20	-56.47
O=C(C[N@@H+]1CC2CCC1C2)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349312	0	56	0.0	-63.56	400.18	6.19	-57.37
O=C(C[N@H+]1CC2CCC1C2)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349312	1	56	0.0	-63.56	400.18	6.19	-57.37
CC(C[NH+](C)C)C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349326	0	54	0.0	-67.26	389.73	5.28	-61.98
CCN1CCC1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349356	0	52	0.0	-63.68	385.14	5.07	-58.61
CC[N@@H+]1CCC1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349356	1	52	0.0	-63.13	384.58	5.11	-58.02
CC[N@H+]1CCC1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349356	1	52	0.0	-63.13	384.58	5.11	-58.02
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349365	0	60	0.0	-65.66	418.46	4.80	-60.86
CNC1=NC(C)=CC=C1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349390	0	54	0.0	-55.66	405.28	4.61	-51.05
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349390	1	54	0.0	-55.66	405.28	4.61	-51.05
CCCC(C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12)[NH+](C)C	REAL300030349399	0	57	0.0	-66.35	403.34	5.70	-60.65
CC(CC[NH+](C)C)C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349416	0	57	0.0	-68.46	410.66	5.85	-62.61
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349472	0	58	0.0	-57.33	409.28	5.72	-51.61
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349472	1	58	0.0	-57.33	409.28	5.72	-51.61
C[NH+](C)CCCCCC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349474	0	60	0.0	-67.47	441.08	7.20	-60.27
CN1CCN(CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)CC1	REAL300030349481	0	57	0.0	-67.51	412.90	3.65	-63.86
C[NH+]1CCN(CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)CC1	REAL300030349481	1	57	0.0	-67.51	412.90	3.65	-63.86
CC1CN(C)CC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)O1	REAL300030349529	0	56	0.0	-68.75	402.36	5.14	-63.61
CC1C[N@H+](C)CC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)O1	REAL300030349529	1	56	0.0	-70.12	401.38	4.63	-65.49
CC1C[N@@H+](C)CC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)O1	REAL300030349529	1	56	0.0	-70.12	401.38	4.63	-65.49
C[N@@H+]1CCCCC1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349580	0	55	0.0	-57.42	394.19	5.72	-51.70
C[N@@H+]1CCC(=CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)C1	REAL300030349640	0	53	0.0	-68.47	390.05	5.64	-62.83
C[N@H+]1CCC(=CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)C1	REAL300030349640	1	53	0.0	-68.47	390.05	5.64	-62.83
O=C(CNC1=CC=[NH+]C=C1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349643	0	51	0.0	-65.64	389.59	3.43	-62.21
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349709	0	52	0.0	-57.61	369.25	4.87	-52.74
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)C1	REAL300030349791	0	55	0.0	-57.75	402.80	5.80	-51.95
C[N@@H+]1CC=CCC1CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349799	0	56	0.0	-52.72	400.61	6.16	-46.56
C[N@H+]1CC=CCC1CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349799	1	56	0.0	-52.72	400.61	6.16	-46.56
C[NH+](C)CCOCC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349834	0	55	0.0	-67.15	410.08	5.26	-61.89
[NH2+]=C1SC=CN1CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349855	0	48	0.0	-55.92	380.74	4.33	-51.59
C[C@@H](OCC[NH+](C)C)C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349889	0	58	0.0	-56.76	424.62	5.49	-51.27
C[N@@H+]1CCCC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)C1	REAL300030349912	0	55	0.0	-68.63	398.44	5.77	-62.86
C[N@H+]1CCCC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)C1	REAL300030349912	1	55	0.0	-68.63	398.44	5.77	-62.86
O=C(C[NH+]1CCCCCC1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349913	0	58	0.0	-63.88	406.93	6.53	-57.35
CN1C=C[N+](CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)=C1	REAL300030349917	0	50	0.0	-59.66	385.13	7.66	-52.00
O=C(CN1CCC(O)CC1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349936	0	56	0.0	-68.73	406.53	2.62	-66.11
O=C(C[NH+]1CCC(O)CC1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349936	1	56	0.0	-68.73	406.53	2.62	-66.11
C[N@H+](CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12)C1CC1	REAL300030349938	0	52	0.0	-62.36	383.00	5.44	-56.92
O=C(CC[N@H+]1CCC(F)C1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349941	0	55	0.0	-69.18	407.78	5.91	-63.27
CC(CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12)C[NH+](C)C	REAL300030349960	0	57	0.0	-73.01	411.36	6.27	-66.74
CN1CCOCC1CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349979	0	56	0.0	-70.10	404.53	4.01	-66.09
C[N@@H+]1CCOCC1CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349979	1	56	0.0	-66.23	396.77	3.82	-62.41
C[N@H+]1CCOCC1CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349979	1	56	0.0	-66.23	396.77	3.82	-62.41
CC1=CC(N)=NC=C1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030350008	0	51	0.0	-58.98	384.05	3.29	-55.69
CC1=CC(N)=[NH+]C=C1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030350008	1	51	0.0	-58.98	384.05	3.29	-55.69
CC1(O)CC[N@H+](CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)C1	REAL300030350034	0	56	0.0	-66.20	410.33	2.55	-63.65
C[NH+]1CC(CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)C1	REAL300030350060	0	52	0.0	-67.81	385.31	5.02	-62.79
C[N@H+](CCO)CCC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030350089	0	55	0.0	-65.45	404.02	2.06	-63.39
C[N@@H+](CCO)CCC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030350089	1	55	0.0	-65.45	404.02	2.06	-63.39
C[N@@H+]1CCCCC1CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030350103	0	58	0.0	-65.05	413.03	6.32	-58.73
C[N@H+]1CCCCC1CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030350103	1	58	0.0	-65.05	413.03	6.32	-58.73
CC1CCN1CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030350117	0	52	0.0	-62.34	380.05	5.06	-57.28
CC1CC[N@@H+]1CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030350117	1	52	0.0	-62.60	379.80	4.89	-57.71
CC1CC[N@H+]1CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030350117	1	52	0.0	-62.60	379.80	4.89	-57.71
C[NH+](C)CC=CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030350122	0	52	0.0	-70.17	388.58	5.39	-64.78
CC1(C)CN(CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)C1	REAL300030350127	0	55	0.0	-65.14	404.43	5.76	-59.38
CC1(C)C[NH+](CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)C1	REAL300030350127	1	55	0.0	-65.14	404.43	5.76	-59.38
C[NH+](C)CCSCC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030350147	0	55	0.0	-70.85	421.11	6.26	-64.59
O=C(C[N@H+]1CCCC1CO)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030350164	0	56	0.0	-62.44	406.96	2.73	-59.71
CC[NH+](CC)CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030350168	0	54	0.0	-64.41	390.26	5.57	-58.84
O=C(CN1CCC1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030350177	0	49	0.0	-64.80	364.01	4.57	-60.23
O=C(C[NH+]1CCC1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030350177	1	49	0.0	-64.80	364.01	4.57	-60.23
CC[NH+](CC)CCC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030350202	0	57	0.0	-66.51	407.81	5.95	-60.56
CC(C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12)N1CCC1	REAL300030350246	0	52	0.0	-64.08	383.06	5.12	-58.96
CC(C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12)[NH+]1CCC1	REAL300030350246	1	52	0.0	-64.08	383.06	5.12	-58.96
CCC(CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12)C[NH+](C)C	REAL300030350251	0	60	0.0	-74.06	429.78	6.91	-67.15
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030350283	0	55	0.0	-57.50	394.14	5.70	-51.80
C[NH+](C)CC(O)CC(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030350304	0	55	0.0	-69.41	406.92	3.19	-66.22
C=CCC(C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12)[NH+](C)C	REAL300030350326	0	55	0.0	-63.46	395.05	5.41	-58.05
C[NH+](C)CCSCC(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030350391	0	55	0.0	-63.52	416.93	5.83	-57.69
C[N@@H+]1CCCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030350547	0	45	0.0	-69.46	346.67	1.79	-67.67
CN1CCOC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030350571	0	46	0.0	-72.24	357.18	1.66	-70.58
C[N@@H+]1CCOC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030350571	1	46	0.0	-82.94	364.29	1.82	-81.12
C[N@H+]1CCOC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030350571	1	46	0.0	-82.94	364.29	1.82	-81.12
CC(C)C1=NC=CN1CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030350746	0	52	0.0	-66.56	411.99	4.40	-62.16
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030350746	1	52	0.0	-66.56	411.99	4.40	-62.16
CC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)[NH+]1CCCCCC1	REAL300030350753	0	54	0.0	-67.51	396.18	3.81	-63.70
CC(C)[N@@H+]1CCCCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030350755	0	54	0.0	-65.58	394.68	3.88	-61.70
CC(C)[N@@H+]1CCCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030350781	0	51	0.0	-68.55	374.99	3.19	-65.36
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1CC2CCCC[N@@H+]2C1	REAL300030350805	0	52	0.0	-68.93	393.93	3.99	-64.94
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1CC2CCCC[N@H+]2C1	REAL300030350805	1	52	0.0	-68.93	393.93	3.99	-64.94
CC(C)C1=NC=CN1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030350833	0	49	0.0	-66.67	392.67	4.11	-62.56
CC(C)C1=[NH+]C=CN1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030350833	1	49	0.0	-66.67	392.67	4.11	-62.56
CC1=[NH+]C=CN1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030350881	1	43	0.0	-68.21	356.35	2.99	-65.22
CC(C[NH+]1CCOCC1)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030350883	0	52	0.0	-73.92	398.31	2.10	-71.82
O=C(CCC[NH+]1CCCCC1)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030350903	0	54	0.0	-72.95	412.41	4.61	-68.34
CC(C)(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)[NH+]1CCCCC1	REAL300030350927	0	54	0.0	-71.64	395.92	4.21	-67.43
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1C[NH+]2CCC1CC2	REAL300030350943	0	49	0.0	-80.10	368.16	3.16	-76.94
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1CCCC2CCC[N@@H+]21	REAL300030350994	0	52	0.0	-67.51	383.36	3.85	-63.66
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1CCCC2CCC[N@H+]21	REAL300030350994	1	52	0.0	-64.11	391.31	4.21	-59.90
C[NH+](C)CCN1C=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C=N1	REAL300030350996	0	51	0.0	-80.09	411.23	2.85	-77.24
C[NH+](C)CCN1C=CC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)=N1	REAL300030351006	0	51	0.0	-86.06	411.27	2.77	-83.29
C[C@@H]1[C@H](C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)CC[N@@H+]1C	REAL300030351012	0	48	0.0	-72.72	364.16	2.41	-70.31
C[C@@H]1[C@H](C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)CC[N@H+]1C	REAL300030351012	1	48	0.0	-71.90	368.86	2.92	-68.98
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030351015	1	52	0.0	-66.90	412.87	4.57	-62.33
CC[C@@H]1[C@@H](C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)CC[N@@H+]1C	REAL300030351018	0	51	0.0	-72.73	383.92	3.04	-69.69
CC[C@@H]1[C@@H](C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)CC[N@H+]1C	REAL300030351018	1	51	0.0	-72.03	392.80	3.62	-68.41
CC[N@@H+]1CCOC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030351041	1	49	0.0	-83.10	382.14	2.48	-80.62
CC[N@H+]1CCOC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030351041	1	49	0.0	-77.16	374.99	2.30	-74.86
CC[NH+](CC)CC(F)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030351094	0	50	0.0	-71.60	390.20	3.39	-68.21
C[NH+](C)CC1=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)SC=C1	REAL300030351095	0	48	0.0	-61.90	392.51	3.97	-57.93
CC1CCC(C)[NH+]1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030351190	0	51	0.0	-68.56	385.77	3.31	-65.25
O=C(CCC[NH+]1CCCC1)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030351196	0	51	0.0	-72.60	396.75	3.90	-68.70
C[NH+](C)CC1=CC=CC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)=C1	REAL300030351197	0	51	0.0	-74.95	404.89	4.75	-70.20
C#CC[NH+]1CCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)CC1	REAL300030351204	0	50	0.0	-78.85	396.69	4.23	-74.62
O=C(CC[NH+]1CCCCC1)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030351205	0	51	0.0	-72.53	390.92	3.79	-68.74
C[NH+](C)CC1=CC=CC=C1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030351209	0	51	0.0	-60.83	397.80	5.11	-55.72
CC[N@@H+]1CCCCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030351216	0	51	0.0	-68.45	377.20	3.44	-65.01
CC[N@H+]1CCCCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030351216	1	51	0.0	-67.01	377.06	3.35	-63.66
CC(C)C(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)[NH+]1CCCCC1	REAL300030351217	0	57	0.0	-65.95	415.67	4.59	-61.36
C[NH+](C)C(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1=CC=CC=C1	REAL300030351220	1	51	0.0	-67.24	401.23	4.73	-62.51
CC(C)C[N@@H+]1CCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030351240	0	54	0.0	-71.64	410.88	4.23	-67.41
CC(C)C[N@H+]1CCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030351240	1	54	0.0	-72.95	411.77	4.31	-68.64
C[NH+](C)C1(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)CCC1	REAL300030351244	0	48	0.0	-66.17	360.41	2.97	-63.20
C[NH+](C)C(CN1C=CC=N1)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030351245	1	51	0.0	-69.45	403.64	3.12	-66.33
CC(C)[N@@H+]1CCCC1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030351250	0	54	0.0	-70.51	399.31	3.58	-66.93
CC(C)[N@H+]1CCCC1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030351250	1	54	0.0	-65.79	395.89	3.34	-62.45
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1CCC[N@@H+]1C1CCCC1	REAL300030351251	0	55	0.0	-68.05	411.67	4.90	-63.15
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1CCC[N@H+]1C1CCCC1	REAL300030351251	1	55	0.0	-72.13	404.99	4.84	-67.29
CC(C)[C@@H](C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)[NH+](C)C	REAL300030351270	0	50	0.0	-67.48	370.48	2.78	-64.70
C[N@H+](CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1CCC1	REAL300030351326	0	48	0.0	-69.34	373.14	3.35	-65.99
C[N@@H+](CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1CCC1	REAL300030351326	1	48	0.0	-69.26	373.03	3.36	-65.90
CC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)[NH+]1C(C)CCC1C	REAL300030351401	0	54	0.0	-65.28	396.57	3.41	-61.87
CN(CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1=CC=[NH+]C=C1	REAL300030351465	0	50	0.0	-69.05	401.39	3.01	-66.04
C[N@@H+]1CCCC1CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030351483	0	51	0.0	-74.85	394.33	3.86	-70.99
C[N@H+]1CCCC1CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030351483	1	51	0.0	-70.67	388.89	3.39	-67.28
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C12CCC[NH+](CCC1)C2	REAL300030351495	0	52	0.0	-71.91	383.97	3.45	-68.46
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1CCC2CCCC[N@@H+]21	REAL300030351502	0	52	0.0	-66.31	394.92	4.34	-61.97
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1CCC2CCCC[N@H+]21	REAL300030351502	1	52	0.0	-68.82	387.38	3.76	-65.06
CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030351510	0	55	0.0	-71.72	408.85	2.49	-69.23
O=C(CCCC[NH+]1CCCC1)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030351529	0	54	0.0	-73.35	416.88	4.50	-68.85
C[N@H+](CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)CC1=CC=CC=C1	REAL300030351531	1	51	0.0	-76.35	403.57	4.97	-71.38
C[N@@H+](CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)CC1=CC=CC=C1	REAL300030351531	1	51	0.0	-76.17	403.70	4.96	-71.21
C[NH+]1CCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)CC1	REAL300030351546	0	48	0.0	-77.52	371.52	3.03	-74.49
C[NH+](C)CC1=CC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)=NO1	REAL300030351600	1	47	0.0	-79.48	385.03	2.34	-77.14
CC1=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C=CC2=C[NH+]=CN21	REAL300030351601	0	46	0.0	-71.88	370.68	5.12	-66.76
C[N@@H+]1CCCCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030351636	1	48	0.0	-69.51	359.30	2.68	-66.83
C[N@H+]1CCCCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030351636	1	48	0.0	-68.36	360.47	2.69	-65.67
CC(C)C[N@@H+]1CCCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030351663	0	54	0.0	-68.23	411.86	4.55	-63.68
CC(C)C[N@H+]1CCCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030351663	1	54	0.0	-68.95	405.83	4.02	-64.93
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1=CN2C=[NH+]C=C2C=C1	REAL300030351793	0	43	0.0	-72.89	357.11	4.89	-68.00
CC1=[NH+]C=CN1CCCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030351803	1	49	0.0	-70.08	397.92	4.28	-65.80
O=C(CCCC[NH+]1CCOCC1)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030351807	1	55	0.0	-76.51	425.18	2.96	-73.55
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C=C1	REAL300030351813	0	51	0.0	-82.56	405.09	4.87	-77.69
O=C(CC[NH+]1CCOCC1)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030351814	1	49	0.0	-75.78	382.18	1.37	-74.41
CCC[NH+](CCC)CCCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030351836	0	59	0.0	-72.80	449.27	5.50	-67.30
CC1=C[NH+]=CN1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030351854	1	43	0.0	-69.74	356.68	3.71	-66.03
O=C(CN1C=[NH+]C2=C1CCCC2)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030351861	1	50	0.0	-69.05	398.51	5.44	-63.61
C[NH+](C)CC1(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)CCCCC1	REAL300030351902	0	57	0.0	-78.07	413.11	4.63	-73.44
C[N@H+](CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1CCCCC1	REAL300030351908	0	57	0.0	-74.27	425.34	4.96	-69.31
C[N@@H+](CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1CCCCC1	REAL300030351908	1	57	0.0	-74.52	425.34	4.96	-69.56
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C12CCC[NH+]1CCC2	REAL300030351910	0	49	0.0	-74.64	371.53	3.35	-71.29
C[NH+](C)C1CCCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030351947	0	54	0.0	-71.77	405.74	4.21	-67.56
C[N@@H+]1CCC(CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030351950	0	48	0.0	-73.87	373.74	2.98	-70.89
C[N@H+]1CCC(CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030351950	1	48	0.0	-75.51	373.27	2.98	-72.53
CN(C)C1=CC=[NH+]C=C1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030351962	0	47	0.0	-80.55	377.64	2.17	-78.38
CCC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)[NH+](C)C	REAL300030351967	0	47	0.0	-68.44	360.81	2.97	-65.47
C[NH+](C)C1(CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)CCCC1	REAL300030351984	0	54	0.0	-76.02	390.41	3.67	-72.35
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1=CC2=C[NH+]=CN2C=C1	REAL300030352039	1	43	0.0	-78.22	357.39	4.88	-73.34
C[NH+](C)CCCCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030352108	0	50	0.0	-74.83	392.28	3.51	-71.32
CC(C)C(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)[NH+](C)C	REAL300030352129	0	50	0.0	-70.46	375.38	3.46	-67.00
CCC[N@H+](C)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030352131	0	50	0.0	-74.08	388.52	3.32	-70.76
CCC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030352131	1	50	0.0	-74.12	388.51	3.33	-70.79
CCC[N@H+](C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030352137	0	47	0.0	-71.53	366.22	2.78	-68.75
CCC[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030352137	1	47	0.0	-71.51	366.14	2.79	-68.72
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C12CC[N@H+](C1)CCC2	REAL300030352164	0	49	0.0	-73.67	369.25	2.59	-71.08
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C12CC[N@@H+](C1)CCC2	REAL300030352164	1	49	0.0	-72.88	368.84	2.58	-70.30
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030352214	0	45	0.0	-71.52	346.62	1.93	-69.59
C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030352214	1	45	0.0	-68.22	353.02	2.33	-65.89
CC1CC2CCC(C(=O)N[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@H]3F)C[N@@H+]2C1	REAL300030352238	0	55	0.0	-70.01	415.11	4.68	-65.33
CC1CC2CCC(C(=O)N[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@H]3F)C[N@H+]2C1	REAL300030352238	1	55	0.0	-69.44	415.19	4.68	-64.76
CCCCCC[N@H+](C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030352283	0	56	0.0	-72.75	430.63	5.13	-67.62
CCCCCC[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030352283	1	56	0.0	-72.71	430.64	5.12	-67.59
CC[NH+](CC)C(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C(C)C	REAL300030352290	0	56	0.0	-64.36	405.51	4.79	-59.57
CC[NH+](CC)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030352299	0	47	0.0	-69.50	358.12	2.45	-67.05
CCC[N@@H+]1CCCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030352332	0	54	0.0	-71.57	410.64	4.38	-67.19
CCC[N@H+]1CCCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030352332	1	54	0.0	-71.04	410.65	4.38	-66.66
CC(C)[N@@H+]1CCOC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030352353	1	52	0.0	-80.69	398.87	3.00	-77.69
CC(C)[N@H+]1CCOC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030352353	1	52	0.0	-74.97	391.78	2.82	-72.15
CC1CC[NH+](CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)CC1	REAL300030352389	0	51	0.0	-72.17	389.50	3.86	-68.31
C[NH+]1CCC(OCC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)CC1	REAL300030352423	0	52	0.0	-79.04	406.84	3.46	-75.58
C[NH+](C)CC1(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)CC1	REAL300030352438	0	48	0.0	-74.30	374.79	3.50	-70.80
CC1=[NH+]C=C2CCC(C(=O)N[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@H]3F)CN21	REAL300030352439	1	50	0.0	-66.52	394.21	3.98	-62.54
CC(C)[NH+]1CCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)CC1	REAL300030352529	0	54	0.0	-73.91	405.84	4.21	-69.70
C[NH+]1CCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)CC1	REAL300030352553	0	48	0.0	-77.52	371.52	3.03	-74.49
CC(C)[C@H](C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)[NH+](C)C	REAL300030352574	0	50	0.0	-70.34	376.06	3.51	-66.83
CCC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)[NH+](CC)CC	REAL300030352608	0	53	0.0	-64.79	388.97	3.36	-61.43
CC[N@H+](C)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030352682	0	47	0.0	-73.34	367.02	2.58	-70.76
CC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030352682	1	47	0.0	-73.34	367.02	2.57	-70.77
CC1CCC[N@@H+]1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030352749	0	48	0.0	-67.73	365.59	2.74	-64.99
CC1CCC[N@H+]1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030352749	1	48	0.0	-68.26	372.96	3.05	-65.21
CC1CC[N@H+](CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030352751	0	48	0.0	-71.02	372.30	3.13	-67.89
CC1CC[N@@H+](CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030352751	1	48	0.0	-70.75	371.89	3.01	-67.74
CC1=[NH+]C=C2CC(C(=O)N[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@H]3F)CCN21	REAL300030352753	1	50	0.0	-70.57	395.42	4.09	-66.48
CC1(C)CC[N@H+](CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030352756	0	51	0.0	-71.03	392.16	3.60	-67.43
CC1(C)CC[N@@H+](CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030352756	1	51	0.0	-70.67	391.94	3.63	-67.04
C[N@H+](CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)CC(C)(C)C	REAL300030352757	0	53	0.0	-71.54	395.27	3.82	-67.72
C[N@@H+](CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)CC(C)(C)C	REAL300030352757	1	53	0.0	-70.93	396.75	3.86	-67.07
CC[C@@H](C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)[NH+](C)C	REAL300030352768	0	47	0.0	-67.28	356.89	2.35	-64.93
CC(COCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)[NH+]1CCCC1	REAL300030352776	0	55	0.0	-69.40	425.55	4.12	-65.28
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1CC[NH+](CC2CC2)CC1	REAL300030352854	0	55	0.0	-76.72	422.50	5.24	-71.48
C[NH+]1CCC(O)(CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)CC1	REAL300030352990	0	52	0.0	-74.69	397.45	1.68	-73.01
COCC[N@@H+]1CCCC1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030352997	0	55	0.0	-72.16	415.77	2.57	-69.59
COCC[N@H+]1CCCC1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030352997	1	55	0.0	-69.73	425.23	2.70	-67.03
C[NH+](C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353005	0	41	0.0	-71.62	326.58	1.24	-70.38
O=C(C[NH+]1CCC(CO)CC1)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353010	1	52	0.0	-74.72	400.33	0.54	-74.18
O=C(C[NH+]1CCCCCC1)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353014	0	51	0.0	-71.74	379.51	3.67	-68.07
CN1C=C[N+](CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)=C1	REAL300030353019	0	43	0.0	-68.46	358.15	4.88	-63.58
C[N@@H+]1CCCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030353028	0	48	0.0	-65.22	365.29	3.20	-62.02
C[N@H+]1CCCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030353028	1	48	0.0	-72.17	371.57	2.98	-69.19
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1CCC[N@@H+]1C1CC1	REAL300030353033	0	49	0.0	-66.62	384.35	3.88	-62.74
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1CCC[N@H+]1C1CC1	REAL300030353033	1	49	0.0	-70.67	377.22	3.14	-67.53
CC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)[NH+]1CCC1	REAL300030353065	1	45	0.0	-68.81	354.49	2.31	-66.50
CCC(CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C[NH+](C)C	REAL300030353074	0	53	0.0	-77.27	401.62	3.88	-73.39
C[NH+](C)CC(C)(C)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353082	0	50	0.0	-71.71	376.85	3.02	-68.69
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C12CC(C1)C[N@@H+]2C1CC1	REAL300030353102	1	50	0.0	-67.40	391.08	3.99	-63.41
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C12CC(C1)C[N@H+]2C1CC1	REAL300030353102	1	50	0.0	-72.81	382.81	4.79	-68.02
O=C(C[NH+]1CCC(O)CC1)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353118	1	49	0.0	-75.30	379.74	-0.11	-75.41
C[N@H+](CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1CC1	REAL300030353119	0	45	0.0	-68.41	356.20	2.78	-65.63
C[N@@H+](CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1CC1	REAL300030353119	1	45	0.0	-68.86	356.32	2.78	-66.08
CC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)N1CC[NH+](C)CC1	REAL300030353120	1	53	0.0	-63.69	397.26	0.91	-62.78
C[NH+]1CC(CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030353144	0	45	0.0	-71.99	357.87	2.07	-69.92
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1CC[N@@H+]1C1CCCC1	REAL300030353148	0	52	0.0	-71.50	399.19	4.34	-67.16
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1CC[N@H+]1C1CCCC1	REAL300030353148	1	52	0.0	-70.13	391.80	3.59	-66.54
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353156	1	51	0.0	-68.51	373.25	2.56	-65.95
CC(C)(C)[N@H+]1CCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353156	1	51	0.0	-70.89	370.15	2.91	-67.98
C[C@@H](C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)[NH+](C)C	REAL300030353168	0	44	0.0	-68.75	344.38	1.69	-67.06
CCC1CCC[N@H+](CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030353215	0	54	0.0	-71.82	407.91	4.49	-67.33
CCC1CCC[N@@H+](CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030353215	1	54	0.0	-72.04	400.92	4.46	-67.58
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)N1	REAL300030353223	0	49	0.0	-84.02	393.52	2.80	-81.22
C[NH+]1C2CCC1CC(CC(=O)N[C@H]1CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]1F)C2	REAL300030353236	0	55	0.0	-69.57	405.57	4.30	-65.27
[NH2+]=C1SC=CN1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353279	0	41	0.0	-66.74	354.01	1.57	-65.17
C[N@H+](CCO)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353291	0	48	0.0	-73.37	377.38	-0.64	-74.01
C[N@@H+](CCO)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353291	1	48	0.0	-72.54	377.43	-0.69	-73.23
C[C@@H](C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)[NH+](C)C	REAL300030353292	0	44	0.0	-68.75	344.38	1.69	-67.06
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353296	1	48	0.0	-69.39	359.23	2.71	-66.68
C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353296	1	48	0.0	-68.35	368.37	2.88	-65.47
CC1CN2CC[N@@H+]1CC2C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353306	0	51	0.0	-79.47	379.93	0.32	-79.15
CC1CN2CC[N@H+]1CC2C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353306	1	51	0.0	-76.97	379.86	0.14	-76.83
COC1C[N@@H+]2CCCC2(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030353347	0	53	0.0	-75.34	405.09	2.35	-72.99
COC1C[N@H+]2CCCC2(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030353347	1	53	0.0	-69.26	402.70	2.13	-67.13
O=C(CC1=CC2=C[NH+]=CN2C=C1)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353361	0	46	0.0	-70.22	381.32	5.55	-64.67
C[N@H+](CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1CCSC1	REAL300030353388	0	49	0.0	-77.33	387.76	3.60	-73.73
C[N@@H+](CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1CCSC1	REAL300030353388	1	49	0.0	-75.37	386.26	3.61	-71.76
C[NH+](C)CC1=CC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)=CC=N1	REAL300030353424	1	50	0.0	-72.13	400.72	3.28	-68.85
C[N@@H+]1CCC(=CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030353426	0	46	0.0	-75.43	364.82	2.94	-72.49
C[N@H+]1CCC(=CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030353426	1	46	0.0	-75.53	365.79	2.92	-72.61
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1C[NH+](C2CCCCC2)C1	REAL300030353452	0	55	0.0	-75.80	418.98	4.72	-71.08
C[NH+](C)CCOCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353467	0	48	0.0	-71.89	382.44	2.31	-69.58
CCCCC[N@H+](C)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353473	0	56	0.0	-74.99	431.52	4.88	-70.11
CCCCC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353473	1	56	0.0	-75.00	431.52	4.88	-70.12
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)O1	REAL300030353483	0	52	0.0	-73.17	405.79	3.30	-69.87
C=CCC(C)(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)[NH+](C)C	REAL300030353492	0	51	0.0	-71.85	377.93	3.09	-68.76
C[S+](C)CCC(O)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353497	0	47	0.0	-76.18	391.42	0.89	-75.29
CN1CC(O)CC1(C)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353527	0	49	0.0	-77.86	376.20	-0.48	-78.34
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353527	1	49	0.0	-78.57	374.69	-0.55	-79.12
C[N@H+]1CC(O)CC1(C)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353527	1	49	0.0	-78.57	374.69	-0.55	-79.12
CN1CC[N@H+](C)CC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030353541	0	53	0.0	-69.86	398.03	1.13	-68.73
CN1CC[N@@H+](C)CC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030353541	1	53	0.0	-69.86	398.03	1.13	-68.73
CC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)N1CCCC(O)C1	REAL300030353542	0	52	0.0	-67.27	397.20	0.18	-67.09
CC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)[N@@H+]1CCCC(O)C1	REAL300030353542	1	52	0.0	-69.58	394.85	0.41	-69.17
CC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)[N@H+]1CCCC(O)C1	REAL300030353542	1	52	0.0	-69.58	394.85	0.41	-69.17
O=C(CN1CCC(CO)CC1)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353556	0	52	0.0	-74.72	400.33	0.54	-74.18
O=C(C[NH+]1CCC(CO)CC1)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353556	1	52	0.0	-74.72	400.33	0.54	-74.18
C[N@@H+]1CCCC(O)(CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030353566	0	52	0.0	-71.91	384.31	1.50	-70.41
C[N@H+]1CCCC(O)(CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030353566	1	52	0.0	-71.91	384.31	1.50	-70.41
NC(=O)C1CCN(CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)CC1	REAL300030353574	0	52	0.0	-86.28	404.58	-0.08	-86.36
NC(=O)C1CC[NH+](CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)CC1	REAL300030353574	1	52	0.0	-86.28	404.58	-0.08	-86.36
CN(CCO)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353599	0	45	0.0	-71.90	355.00	-1.20	-73.10
C[N@H+](CCO)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353599	1	45	0.0	-72.32	355.07	-1.21	-73.53
C[N@@H+](CCO)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353599	1	45	0.0	-72.32	355.07	-1.21	-73.53
C[NH+]1C2CCC1CC(=CC(=O)N[C@H]1CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]1F)C2	REAL300030353621	0	53	0.0	-71.00	399.82	4.21	-66.79
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1C[N@@H+]2CCN1CCC2	REAL300030353626	0	51	0.0	-76.14	375.06	0.70	-75.44
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1C[N@H+]2CCN1CCC2	REAL300030353626	1	51	0.0	-76.14	375.06	0.70	-75.44
CC[N@@H+]1CCCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030353633	0	51	0.0	-63.81	382.92	3.84	-59.97
CC[N@H+]1CCCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030353633	1	51	0.0	-63.81	382.92	3.84	-59.97
CC(CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C[NH+](C)C	REAL300030353635	0	50	0.0	-78.32	383.49	3.25	-75.07
CC[N@H+](C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353651	0	44	0.0	-71.19	344.64	2.03	-69.16
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C12CCC[N@@H+]1CCCC2	REAL300030353679	0	52	0.0	-65.43	380.93	3.94	-61.49
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C12CCC[N@H+]1CCCC2	REAL300030353679	1	52	0.0	-65.43	380.93	3.94	-61.49
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C12CCC[N@@H+]1CC=CC2	REAL300030353688	0	50	0.0	-65.10	373.97	3.56	-61.54
CC[N@H+](CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1CC1	REAL300030353712	0	48	0.0	-69.26	369.92	3.10	-66.16
CC[NH+](CC)CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353736	0	50	0.0	-72.06	384.01	3.16	-68.90
O=C(CCCC[NH+]1CCCCC1)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353772	0	57	0.0	-73.21	433.58	5.26	-67.95
CC1(O)CCN(CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030353803	0	49	0.0	-70.11	382.93	-0.21	-70.32
CC1(O)CC[N@H+](CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030353803	1	49	0.0	-71.72	383.48	-0.22	-71.94
CC1(O)CC[N@@H+](CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030353803	1	49	0.0	-71.72	383.48	-0.22	-71.94
C[NH+](C)CC=CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353813	0	45	0.0	-75.91	362.88	2.58	-73.33
CC(OCC[NH+](C)C)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353837	0	51	0.0	-70.58	402.62	3.12	-67.46
C[NH+](C)CCOCCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353848	0	51	0.0	-72.23	403.47	2.18	-70.05
COCC[N@H+](C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353849	1	48	0.0	-72.11	376.95	1.23	-70.88
COCC[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353849	1	48	0.0	-72.12	377.25	1.20	-70.92
C[NH+](C)C1(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)CCCC1	REAL300030353901	0	51	0.0	-65.65	374.66	3.59	-62.06
CC(CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)[NH+](C)C	REAL300030353904	0	50	0.0	-71.50	383.69	3.00	-68.50
CC(C)[N@@H+]1CCCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030353925	0	54	0.0	-69.85	405.79	4.15	-65.70
CC(C)[N@H+]1CCCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030353925	1	54	0.0	-63.34	399.57	4.37	-58.97
O=C(C[N@H+]1CCCC1CO)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353939	1	49	0.0	-70.21	376.22	-0.66	-70.87
O=C(C[N@@H+]1CCCC1CO)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353939	1	49	0.0	-68.36	372.39	-0.17	-68.53
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1CC2CCCC[N@@H+]2C1	REAL300030353965	0	52	0.0	-70.43	394.58	4.06	-66.37
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1CC2CCCC[N@H+]2C1	REAL300030353965	1	52	0.0	-68.93	393.93	3.99	-64.94
C[NH+]1CCC(C)(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)CC1	REAL300030353972	0	51	0.0	-68.04	384.18	3.44	-64.60
C[NH+](C)CC1=CNC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)=C1	REAL300030353978	0	49	0.0	-76.91	392.95	2.52	-74.39
CC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)[NH+]1CCC(O)CC1	REAL300030353996	1	52	0.0	-71.59	392.13	0.04	-71.55
C=CCC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)[NH+](C)C	REAL300030354009	0	48	0.0	-71.33	374.37	2.96	-68.37
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030354027	0	51	0.0	-71.42	386.63	2.95	-68.47
C[N@H+]1CC(C)(C)CC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030354027	1	51	0.0	-68.15	386.96	2.97	-65.18
C[NH+](C)CCCCCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030354031	0	53	0.0	-74.14	413.78	4.29	-69.85
O=C(C[NH+]1CC2CC2C1)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030354041	1	46	0.0	-71.64	361.92	3.14	-68.50
CC1C[N@@H+]2CCN1C(C(=O)N[C@H]1CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]1F)C2	REAL300030354075	0	51	0.0	-82.01	379.70	0.32	-81.69
CC1C[N@H+]2CCN1C(C(=O)N[C@H]1CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]1F)C2	REAL300030354075	1	51	0.0	-77.90	379.73	0.25	-77.65
CCCC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)[NH+](C)C	REAL300030354076	0	50	0.0	-68.91	377.84	3.08	-65.83
C[NH+](C)C(C)(C)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030354081	0	47	0.0	-76.20	354.38	2.51	-73.69
C[N@@H+]1CCCCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030354128	1	48	0.0	-69.51	359.30	2.68	-66.83
C[N@H+]1CCCCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030354128	1	48	0.0	-68.36	360.47	2.69	-65.67
C[N@H+]1CC=C(CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)CC1	REAL300030354176	0	49	0.0	-69.95	386.05	3.69	-66.26
C[N@@H+]1CC=C(CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)CC1	REAL300030354176	1	49	0.0	-67.53	385.71	3.58	-63.95
O=C(CC1([NH+]2CCCC2)CC1)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030354185	0	52	0.0	-68.93	391.98	4.10	-64.83
C[N@@H+]1CCCC(C(C)(C)C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030354237	0	57	0.0	-74.93	409.27	4.05	-70.88
C[N@H+]1CCCC(C(C)(C)C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030354237	1	57	0.0	-74.93	409.27	4.05	-70.88
CN(C)CC1=CC=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)O1	REAL300030354242	0	48	0.0	-81.03	391.47	3.18	-77.85
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)O1	REAL300030354242	1	48	0.0	-81.03	391.47	3.18	-77.85
O=C(C=CC[NH+]1CCCC1)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030354263	0	49	0.0	-74.87	389.23	3.78	-71.09
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1CC[NH+](C2CC2)CC1	REAL300030354288	0	52	0.0	-73.56	394.34	4.14	-69.42
O=C(CC[NH+]1CCCC1)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030354312	0	48	0.0	-68.92	374.07	2.93	-65.99
CN1CC2CC1(C(=O)N[C@H]1CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]1F)C2	REAL300030354366	0	46	0.0	-75.80	357.53	2.61	-73.19
C[N@@H+]1CC2CC1(C(=O)N[C@H]1CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]1F)C2	REAL300030354366	1	46	0.0	-71.94	359.90	2.31	-69.63
C[N@H+]1CC2CC1(C(=O)N[C@H]1CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]1F)C2	REAL300030354366	1	46	0.0	-71.94	359.90	2.31	-69.63
O=C(C[N@@H+]1CC2CCC1C2)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030354380	0	49	0.0	-69.32	373.51	3.47	-65.85
CC(C)[NH+]1CCC(CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)CC1	REAL300030354391	0	57	0.0	-68.76	420.76	4.69	-64.07
O=C(C=C1C[NH+]2CCC1CC2)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030354439	0	50	0.0	-66.23	383.31	3.78	-62.45
CC(C[NH+](C)C)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030354512	0	47	0.0	-73.12	365.12	2.55	-70.57
C[N@@H+]1CCCCC1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030354604	0	51	0.0	-65.03	378.48	3.33	-61.70
C[N@H+]1CCCCC1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030354604	1	51	0.0	-65.03	378.48	3.33	-61.70
CC1=C2C=C(C(=O)N[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@H]3F)C=CN2C=N1	REAL300030354625	0	46	0.0	-76.44	379.27	5.44	-71.00
CC1=C2C=C(C(=O)N[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@H]3F)C=CN2C=[NH+]1	REAL300030354625	1	46	0.0	-76.44	379.27	5.44	-71.00
CC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)N1CC(C)C1	REAL300030354626	0	48	0.0	-68.45	376.12	3.07	-65.38
CC(C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)[NH+]1CC(C)C1	REAL300030354626	1	48	0.0	-68.45	376.12	3.07	-65.38
C[NH+](C)CC(O)CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030354635	0	48	0.0	-76.95	379.23	0.27	-76.68
CC1CN(C)CC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)O1	REAL300030354668	0	49	0.0	-82.55	385.23	2.44	-80.11
CC1C[N@H+](C)CC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)O1	REAL300030354668	1	49	0.0	-84.54	378.81	2.52	-82.02
CC1C[N@@H+](C)CC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)O1	REAL300030354668	1	49	0.0	-84.54	378.81	2.52	-82.02
O=C(CC[NH+]1CCC(O)CC1)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030354679	0	52	0.0	-75.94	401.21	0.30	-75.64
CCC[N@@H+]1CCCCC1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030354682	0	54	0.0	-67.83	398.54	4.09	-63.74
CC[NH+]1CCN(CCC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)CC1	REAL300030354687	0	56	0.0	-73.85	425.02	1.98	-71.87
CCN1CC[NH+](CCC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)CC1	REAL300030354687	1	56	0.0	-73.85	425.02	1.98	-71.87
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300030354690	0	55	0.0	-65.55	401.63	4.84	-60.71
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300030354690	1	55	0.0	-65.55	401.63	4.84	-60.71
CC(C)C[NH+]1CCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)CC1	REAL300030354733	0	57	0.0	-76.47	427.60	5.00	-71.47
C[NH+](C)C1CCN(CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)CC1	REAL300030354758	0	56	0.0	-71.00	419.91	1.95	-69.05
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030354778	0	48	0.0	-71.47	376.46	3.10	-68.37
CC(CC[NH+](C)C)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030354786	0	50	0.0	-72.83	386.96	3.26	-69.57
C[N@H+](CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)[C@@H]1CCC[C@H]1O	REAL300030354815	0	52	0.0	-69.84	397.94	0.59	-69.25
CN1CCN(CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)CC1	REAL300030354829	0	50	0.0	-70.87	385.59	0.76	-70.11
C[NH+]1CCN(CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)CC1	REAL300030354829	1	50	0.0	-70.87	385.59	0.76	-70.11
NC(=[NH2+])SCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030354870	0	39	0.0	-74.06	334.65	-1.79	-75.85
CC[N@@H+]1CCOCC1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030354916	0	52	0.0	-74.46	390.69	1.68	-72.78
C[NH+](C)CCC1(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)CCCC1	REAL300030354935	0	57	0.0	-79.67	428.51	4.87	-74.80
CC1CCCC(C)[NH+]1CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030354937	0	57	0.0	-70.05	417.13	4.44	-65.61
C[NH+](C)C1CCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)CC1	REAL300030354940	0	54	0.0	-78.05	405.77	4.19	-73.86
C[NH+](C)CCC1(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)CC1	REAL300030354941	0	51	0.0	-78.07	402.51	3.84	-74.23
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)CC1	REAL300030354943	0	54	0.0	-70.30	399.23	4.07	-66.23
C[N@@H+]1CC=CCC1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030354944	0	49	0.0	-65.69	373.10	3.35	-62.34
C[N@H+]1CC=CCC1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030354944	1	49	0.0	-65.69	373.10	3.35	-62.34
C[C@@H](OCC[NH+](C)C)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030354971	0	51	0.0	-70.57	402.63	3.12	-67.45
C[NH+]1C2CCC1CC(C(=O)N[C@H]1CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]1F)C2	REAL300030355005	0	52	0.0	-72.46	369.18	3.70	-68.76
CCC1C[NH+](CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030355145	1	48	0.0	-72.62	379.55	3.23	-69.39
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1C[NH+](C2CCOCC2)C1	REAL300030355147	0	53	0.0	-77.97	410.48	2.34	-75.63
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1([NH+]2CCCC2)CCC1	REAL300030355149	0	52	0.0	-73.44	387.19	4.02	-69.42
C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030355159	1	45	0.0	-69.16	346.63	1.80	-67.36
O=C(CC[N@@H+]1CCC(F)C1)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030355168	1	48	0.0	-78.17	381.76	3.19	-74.98
COC1CN(C)C(C)(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030355176	0	52	0.0	-77.99	396.28	2.09	-75.90
COC1C[N@H+](C)C(C)(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030355176	1	52	0.0	-76.43	394.62	2.27	-74.16
COC1C[N@@H+](C)C(C)(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030355176	1	52	0.0	-77.99	396.28	2.09	-75.90
O=C(CC[NH+]1CCCCCC1)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030355189	0	54	0.0	-74.42	400.93	3.98	-70.44
O=C(C[NH+]1CCCCC1)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030355191	1	48	0.0	-71.14	368.30	3.12	-68.02
CC1C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)CC[N@@H+]1C	REAL300030355201	0	48	0.0	-69.72	368.22	2.59	-67.13
CC1C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)CC[N@H+]1C	REAL300030355201	1	48	0.0	-72.16	368.30	2.98	-69.18
C[N@@H+]1CCCCC1CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030355203	0	54	0.0	-70.12	408.30	4.28	-65.84
C[N@H+]1CCCCC1CCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030355203	1	54	0.0	-75.10	400.88	4.11	-70.99
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1CC[N@@H+]2CCOCC12	REAL300030355237	0	50	0.0	-76.81	385.67	1.56	-75.25
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1CC[N@H+]2CCOCC12	REAL300030355237	1	50	0.0	-67.77	382.16	1.70	-66.07
CC1=[NH+]C=C2C=CC(C(=O)N[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@H]3F)=CN21	REAL300030355242	0	46	0.0	-69.29	378.30	4.56	-64.73
CN1CCOCC1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030355261	0	49	0.0	-78.50	377.60	1.18	-77.32
C[N@@H+]1CCOCC1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030355261	1	49	0.0	-79.10	376.82	1.09	-78.01
C[N@H+]1CCOCC1CC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030355261	1	49	0.0	-78.50	377.60	1.18	-77.32
CC1=C(C)[NH+]=C(CCC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)N1	REAL300030355270	1	49	0.0	-63.74	397.01	2.56	-61.18
CC(C)C[N@@H+]1CCCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030355284	0	57	0.0	-65.86	421.86	5.27	-60.59
CC(C)C[N@H+]1CCCC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C1	REAL300030355284	1	57	0.0	-64.97	421.82	5.27	-59.70
C[N@H+]1CCCC1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030355452	1	45	0.0	-69.90	349.89	2.22	-67.68
CN1CCOC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030355478	0	46	0.0	-74.02	363.73	1.79	-72.23
C[N@@H+]1CCOC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030355478	1	46	0.0	-69.76	356.25	1.59	-68.17
C[N@H+]1CCOC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030355478	1	46	0.0	-74.02	363.73	1.79	-72.23
CC1=[NH+]C=CN1CCCC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030355642	1	49	0.0	-71.20	401.25	4.43	-66.77
O=C(CCCC[NH+]1CCOCC1)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030355646	1	55	0.0	-77.78	428.49	3.15	-74.63
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300030355652	0	51	0.0	-84.45	408.42	4.72	-79.73
O=C(CC[NH+]1CCOCC1)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030355653	1	49	0.0	-78.43	385.50	1.56	-76.87
CCC[NH+](CCC)CCCC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030355675	0	59	0.0	-74.66	452.78	5.76	-68.90
O=C(N[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030355690	0	49	0.0	-67.57	367.85	2.84	-64.73
O=C(N[C@H]1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030355706	1	43	0.0	-80.74	364.34	4.89	-75.85
C[NH+](C)C1CCCC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030355775	0	54	0.0	-67.12	399.05	3.97	-63.15
C[N@@H+]1CCC(CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030355778	0	48	0.0	-75.28	376.95	3.16	-72.12
C[N@H+]1CCC(CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030355778	1	48	0.0	-76.72	376.63	3.17	-73.55
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030355790	0	47	0.0	-82.92	382.46	1.23	-81.69
CCC(C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030355795	0	47	0.0	-71.35	359.82	2.48	-68.87
CC1CC2CCC(C(=O)N3CC[C@@H](F)[C@@H](NC(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300030355848	0	55	0.0	-66.31	409.19	4.79	-61.52
CC1CC2CCC(C(=O)N3CC[C@@H](F)[C@@H](NC(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300030355848	1	55	0.0	-71.61	416.80	4.66	-66.95
C[NH+](C)CCCCC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030355875	0	50	0.0	-75.83	395.58	3.69	-72.14
CC(C)C(C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030355898	0	50	0.0	-71.11	372.81	3.15	-67.96
CCC[N@H+](C)CCC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030355900	0	50	0.0	-76.41	391.82	3.52	-72.89
CCC[N@@H+](C)CCC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030355900	1	50	0.0	-76.46	391.82	3.52	-72.94
CCC[N@H+](C)CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030355906	0	47	0.0	-73.83	369.40	2.90	-70.93
CCC[N@@H+](C)CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030355906	1	47	0.0	-73.77	369.43	2.92	-70.85
O=C(N[C@H]1CN(C(=O)C23CC[N@H+](C2)CCC3)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030355933	0	49	0.0	-66.45	364.21	2.38	-64.07
O=C(N[C@H]1CN(C(=O)C23CC[N@@H+](C2)CCC3)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030355933	1	49	0.0	-69.76	361.66	2.26	-67.50
CCCCCC[N@H+](C)CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030355976	0	56	0.0	-75.14	433.90	5.26	-69.88
CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030355976	1	56	0.0	-75.11	433.92	5.26	-69.85
CC[NH+](CC)C(C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300030355983	0	56	0.0	-66.37	403.53	4.02	-62.35
CC1CC[NH+](CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030356021	0	51	0.0	-74.29	392.75	3.99	-70.30
C[NH+]1CCC(OCC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030356055	0	52	0.0	-83.00	409.71	3.68	-79.32
O=C(N[C@H]1CN(C(=O)C2CC3CCCC[N@@H+]3C2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030356118	0	52	0.0	-75.10	394.60	4.08	-71.02
O=C(N[C@H]1CN(C(=O)C2CC3CCCC[N@H+]3C2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030356118	1	52	0.0	-70.68	393.99	4.13	-66.55
C[NH+](C)CC1(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030356130	0	48	0.0	-73.79	378.40	3.08	-70.71
CC1=[NH+]C=C2CCC(C(=O)N3CC[C@@H](F)[C@@H](NC(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300030356131	1	50	0.0	-69.84	398.32	4.12	-65.72
CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030356143	0	54	0.0	-75.38	408.48	4.26	-71.12
CC[N@H+](C)CCC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030356172	0	47	0.0	-75.60	370.32	2.78	-72.82
CC[N@@H+](C)CCC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030356172	1	47	0.0	-75.63	370.32	2.79	-72.84
CC(C)(C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300030356203	0	54	0.0	-69.42	392.11	3.76	-65.66
O=C(N[C@H]1CN(C(=O)C2C[NH+]3CCC2CC3)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030356219	0	49	0.0	-79.33	366.32	3.00	-76.33
C[NH+]1CCC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030356304	0	48	0.0	-78.11	374.12	3.07	-75.04
CC(C)[C@H](C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030356325	0	50	0.0	-71.95	370.77	2.95	-69.00
O=C(N[C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030356402	0	55	0.0	-78.29	423.33	5.26	-73.03
CC[NH+](CC)CC(F)C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030356443	0	50	0.0	-66.91	388.39	3.23	-63.68
C[NH+](C)CC1=C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)SC=C1	REAL300030356444	0	48	0.0	-60.72	394.54	3.96	-56.76
CC(C)C[N@@H+]1CCC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030356483	0	54	0.0	-73.96	410.51	4.30	-69.66
CC(C)C[N@H+]1CCC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030356483	1	54	0.0	-75.62	412.39	4.31	-71.31
C[NH+](C)C1(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300030356487	0	48	0.0	-73.72	355.12	2.35	-71.37
CCC(C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030356521	0	53	0.0	-65.94	391.33	3.68	-62.26
CC1CCC[N@@H+]1CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030356544	0	48	0.0	-70.90	375.51	3.28	-67.62
CC1CCC[N@H+]1CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030356544	1	48	0.0	-69.89	368.82	2.89	-67.00
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030356624	1	52	0.0	-69.63	415.32	4.70	-64.93
CC(C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300030356631	0	54	0.0	-68.87	398.53	3.89	-64.98
CC(C)[N@@H+]1CCCCC1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030356633	0	54	0.0	-66.08	400.93	3.99	-62.09
CC(C)[N@H+]1CCCCC1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030356633	1	54	0.0	-66.31	401.21	3.96	-62.35
CC(C)[N@@H+]1CCCC1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030356659	0	51	0.0	-70.26	380.80	3.93	-66.33
CC(C)[N@H+]1CCCC1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030356659	1	51	0.0	-70.05	377.44	3.60	-66.45
C[NH+](C)C(CN1C=CC=N1)C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030356664	1	51	0.0	-81.87	400.01	3.13	-78.74
CC(C)[N@@H+]1CCCC1CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030356669	0	54	0.0	-65.71	401.62	3.70	-62.01
CC(C)[N@H+]1CCCC1CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030356669	1	54	0.0	-66.45	400.68	3.67	-62.78
O=C(N[C@H]1CN(C(=O)C2CCC[N@@H+]2C2CCCC2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030356670	0	55	0.0	-72.39	398.21	4.91	-67.48
O=C(N[C@H]1CN(C(=O)C2CCC[N@H+]2C2CCCC2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030356670	1	55	0.0	-70.38	414.48	4.90	-65.48
CC(C)[C@@H](C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030356689	0	50	0.0	-69.13	366.36	3.13	-66.00
CC1CC[N@H+](CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030356713	0	48	0.0	-72.98	376.32	3.24	-69.74
CC1CC[N@@H+](CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030356713	1	48	0.0	-73.16	375.57	3.27	-69.89
CC1=[NH+]C=C2CC(C(=O)N3CC[C@@H](F)[C@@H](NC(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300030356715	1	50	0.0	-70.83	398.78	4.18	-66.65
CC1(C)CC[N@H+](CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030356718	0	51	0.0	-73.22	395.75	3.76	-69.46
CC1(C)CC[N@@H+](CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030356718	1	51	0.0	-72.90	395.08	3.74	-69.16
C[N@H+](CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030356719	0	53	0.0	-73.82	398.00	3.90	-69.92
C[N@@H+](CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030356719	1	53	0.0	-73.49	399.95	4.06	-69.43
CC[C@@H](C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030356730	0	47	0.0	-71.34	359.82	2.48	-68.86
CC(COCC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300030356738	0	55	0.0	-73.07	428.47	4.33	-68.74
CN(CCC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300030356882	0	50	0.0	-73.03	404.55	3.21	-69.82
CC1=[NH+]C=CN1CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030356990	1	43	0.0	-70.11	359.22	3.12	-66.99
CC(C[NH+]1CCOCC1)C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030356992	0	52	0.0	-76.71	402.28	2.14	-74.57
O=C(CCC[NH+]1CCCCC1)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030357012	0	54	0.0	-74.60	415.72	4.80	-69.80
C[NH+](C)CC1=CC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300030357032	1	47	0.0	-80.96	385.02	2.80	-78.16
CC1=C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300030357033	0	46	0.0	-78.57	382.07	5.06	-73.51
CC(C)C1=[NH+]C=CN1CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030357072	1	49	0.0	-68.84	395.60	4.24	-64.60
O=C(N[C@H]1CN(C(=O)C2CCCC3CCC[N@@H+]32)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030357120	0	52	0.0	-68.67	383.19	3.61	-65.06
O=C(N[C@H]1CN(C(=O)C2CCCC3CCC[N@H+]32)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030357120	1	52	0.0	-65.99	394.88	4.24	-61.75
CC[N@@H+]1CCOC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030357153	1	49	0.0	-83.07	380.85	2.40	-80.67
CC[N@H+]1CCOC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030357153	1	49	0.0	-75.54	373.91	2.23	-73.31
O=C(N[C@H]1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030357218	0	43	0.0	-78.94	364.22	4.85	-74.09
CC1=C[NH+]=CN1CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030357223	1	43	0.0	-73.13	358.54	3.80	-69.33
C[NH+](C)CCN1C=C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300030357226	0	51	0.0	-81.62	412.20	2.70	-78.92
C[NH+](C)CCN1C=CC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030357236	0	51	0.0	-89.89	411.59	3.33	-86.56
C[C@@H]1[C@H](C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030357242	0	48	0.0	-77.79	365.34	2.45	-75.34
C[C@@H]1[C@H](C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030357242	1	48	0.0	-74.22	367.67	3.19	-71.03
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030357245	1	52	0.0	-67.90	416.19	4.78	-63.12
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030357248	0	51	0.0	-67.36	387.01	3.13	-64.23
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030357248	1	51	0.0	-74.57	388.27	3.34	-71.23
CC1CCC(C)[NH+]1CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030357266	0	51	0.0	-69.31	387.20	3.40	-65.91
O=C(CCC[NH+]1CCCC1)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030357272	0	51	0.0	-74.22	399.02	4.02	-70.20
C[NH+](C)CC1=CC=CC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030357273	0	51	0.0	-79.00	406.82	4.66	-74.34
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030357281	0	50	0.0	-79.24	399.26	4.27	-74.97
O=C(CC[NH+]1CCCCC1)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030357282	0	51	0.0	-74.90	394.20	3.99	-70.91
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030357287	0	51	0.0	-66.01	404.46	4.66	-61.35
CC[N@@H+]1CCCCC1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030357294	0	51	0.0	-67.88	388.58	3.76	-64.12
CC[N@H+]1CCCCC1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030357294	1	51	0.0	-69.37	377.34	3.25	-66.12
CC(C)C(C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300030357295	0	57	0.0	-68.91	414.19	5.02	-63.89
C[NH+](C)C(C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300030357298	1	51	0.0	-70.09	401.40	4.74	-65.35
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030357303	1	50	0.0	-72.34	401.42	5.57	-66.77
C[NH+](C)CC1(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CCCCC1	REAL300030357345	0	57	0.0	-74.22	399.32	4.49	-69.73
C[N@H+](CCC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300030357351	0	57	0.0	-76.58	428.63	5.15	-71.43
C[N@@H+](CCC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300030357351	1	57	0.0	-76.70	428.62	5.16	-71.54
C[NH+](C)C1(CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030357352	0	54	0.0	-77.38	394.04	4.00	-73.38
C[N@H+](CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030357559	0	48	0.0	-71.65	376.33	3.47	-68.18
C[N@@H+](CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030357559	1	48	0.0	-71.56	376.31	3.47	-68.09
CC(C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300030357589	0	54	0.0	-68.40	388.14	3.27	-65.13
O=C(CCCC[NH+]1CCCC1)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030357605	0	54	0.0	-74.58	420.52	4.81	-69.77
C[N@H+](CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300030357607	1	51	0.0	-78.75	406.83	5.10	-73.65
C[N@@H+](CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300030357607	1	51	0.0	-78.64	406.89	5.10	-73.54
C[NH+]1CCC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030357622	0	48	0.0	-78.11	374.12	3.07	-75.04
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030357680	0	45	0.0	-73.00	349.11	2.02	-70.98
C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030357680	1	45	0.0	-70.04	351.97	2.34	-67.70
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030357704	1	47	0.0	-69.86	375.35	3.26	-66.60
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030357704	1	47	0.0	-70.09	378.68	3.55	-66.54
C[N@@H+]1CCCC1CCC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030357712	0	51	0.0	-77.35	397.59	4.05	-73.30
C[N@H+]1CCCC1CCC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030357712	1	51	0.0	-72.63	392.14	3.58	-69.05
O=C(N[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030357724	0	52	0.0	-82.69	377.74	3.15	-79.54
O=C(N[C@H]1CN(C(=O)C2CCC3CCCC[N@@H+]32)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030357731	0	52	0.0	-67.85	394.42	4.27	-63.58
O=C(N[C@H]1CN(C(=O)C2CCC3CCCC[N@H+]32)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030357731	1	52	0.0	-67.62	394.24	4.25	-63.37
CCC[N@@H+]1CCCC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030357817	0	54	0.0	-72.27	403.37	4.31	-67.96
CCC[N@H+]1CCCC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030357817	1	54	0.0	-70.95	405.58	4.60	-66.35
CC(C)[N@@H+]1CCOC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030357838	1	52	0.0	-80.55	397.62	2.91	-77.64
CC(C)[N@H+]1CCOC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030357838	1	52	0.0	-73.45	390.74	2.72	-70.73
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030357856	0	55	0.0	-74.19	404.28	2.04	-72.15
C[N@@H+]1CCCCC1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030357875	0	48	0.0	-68.73	370.54	3.09	-65.64
C[N@H+]1CCCCC1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030357875	1	48	0.0	-69.28	369.94	3.04	-66.24
CC(C)C[N@@H+]1CCCC1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030357903	0	54	0.0	-70.72	401.77	4.93	-65.79
CC(C)C[N@H+]1CCCC1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030357903	1	54	0.0	-70.03	410.53	4.48	-65.55
O=C(C[NH+]1CCC(CO)CC1)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030357921	0	52	0.0	-77.34	403.57	0.68	-76.66
C[NH+]1C2CCC1CC(=CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030357957	0	53	0.0	-74.02	401.96	4.48	-69.54
CC1C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030357975	0	48	0.0	-75.15	363.87	2.91	-72.24
CC1C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030357975	1	48	0.0	-75.87	365.79	2.99	-72.88
C[N@@H+]1CCCCC1CCC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030357977	0	54	0.0	-72.21	411.27	4.48	-67.73
C[N@H+]1CCCCC1CCC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030357977	1	54	0.0	-72.26	411.56	4.48	-67.78
NC1=[NH+]C2=C(C=C1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C1)CCC2	REAL300030358013	1	48	0.0	-65.43	386.23	2.22	-63.21
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030358093	0	51	0.0	-70.09	391.21	3.15	-66.94
CC(C)(C)[N@H+]1CCC1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030358093	1	51	0.0	-70.38	372.73	2.44	-67.94
C[C@@H](C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030358115	0	44	0.0	-70.89	345.75	1.82	-69.07
C[NH+](C)CC1=CC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC=N1	REAL300030358134	1	50	0.0	-73.56	403.41	3.24	-70.32
C=CCC(C)(C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030358139	0	51	0.0	-65.38	375.61	2.99	-62.39
NC1=C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]C2=CC=CC=C21	REAL300030358167	1	47	0.0	-68.37	384.56	1.68	-66.69
O=C(CC[NH+]1CCCC1)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030358171	0	48	0.0	-75.05	378.55	3.28	-71.77
C[N@H+](CCO)CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030358181	1	45	0.0	-74.31	358.28	-1.06	-75.37
C[N@@H+](CCO)CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030358181	1	45	0.0	-74.13	358.04	-1.07	-75.20
O=C(N[C@H]1CN(C(=O)C2C[N@@H+]3CCN2CCC3)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030358226	0	51	0.0	-80.28	376.48	0.74	-79.54
O=C(N[C@H]1CN(C(=O)C2C[N@H+]3CCN2CCC3)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030358226	1	51	0.0	-79.15	376.08	0.70	-78.45
CC(C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300030358254	1	49	0.0	-73.39	386.80	3.46	-69.93
C[N@H+]1CC=C(CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030358298	0	49	0.0	-72.68	388.95	3.87	-68.81
C[N@@H+]1CC=C(CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030358298	1	49	0.0	-70.19	388.98	3.87	-66.32
C[S+](C)CCC(O)C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030358314	0	47	0.0	-79.58	390.86	0.93	-78.65
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030358336	0	49	0.0	-65.87	371.78	-1.02	-66.89
C[N@H+]1CC(O)CC1(C)C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030358336	1	49	0.0	-68.61	372.67	-1.01	-69.62
CN1CC[N@H+](C)CC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030358351	0	53	0.0	-75.49	403.41	1.50	-73.99
CN1CC[N@@H+](C)CC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030358351	1	53	0.0	-70.21	396.28	1.46	-68.75
CC(C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300030358352	0	52	0.0	-72.49	399.33	0.36	-72.13
CC(C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300030358352	1	52	0.0	-72.47	399.29	0.37	-72.10
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030358385	0	48	0.0	-72.53	390.91	2.35	-70.18
C[N@@H+]1CCCC(O)(CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030358392	0	52	0.0	-72.80	397.61	2.00	-70.80
C[N@H+]1CCCC(O)(CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030358392	1	52	0.0	-68.61	400.48	1.91	-66.70
CC1C[NH+](CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030358399	1	45	0.0	-73.93	361.46	2.60	-71.33
CC[N@@H+]1CCCC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030358406	0	51	0.0	-65.54	391.81	3.70	-61.84
CC[N@H+]1CCCC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030358406	1	51	0.0	-73.44	382.95	3.59	-69.85
NC1=[NH+]C=CC=C1CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030358416	0	44	0.0	-69.29	364.02	1.35	-67.94
O=C(N[C@H]1CN(C(=O)C2CCC[N@@H+]2C2CC2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030358431	0	49	0.0	-71.78	380.49	3.45	-68.33
O=C(N[C@H]1CN(C(=O)C2CCC[N@H+]2C2CC2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030358431	1	49	0.0	-70.48	379.09	3.37	-67.11
O=C(C=CC[NH+]1CCCC1)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030358482	0	49	0.0	-79.42	389.21	3.80	-75.62
O=C(N[C@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030358508	0	52	0.0	-75.29	398.97	4.28	-71.01
CC[N@H+](C)CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030358561	0	44	0.0	-73.43	347.92	2.17	-71.26
O=C(CN1CC2C=CC1C2)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030358626	0	47	0.0	-71.91	369.64	3.51	-68.40
O=C(C[N@@H+]1CC2C=CC1C2)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030358626	1	47	0.0	-69.23	369.64	3.38	-65.85
O=C(C[N@H+]1CC2C=CC1C2)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030358626	1	47	0.0	-69.23	369.64	3.38	-65.85
CC1=CC=C(NCCC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)N=C1	REAL300030358650	0	50	0.0	-71.62	408.67	2.95	-68.67
CC1=CC=C(NCCC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)[NH+]=C1	REAL300030358650	1	50	0.0	-71.62	408.67	2.95	-68.67
O=C(N[C@H]1CN(C(=O)C23CCC[N@@H+]2CCCC3)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030358778	0	52	0.0	-66.67	378.53	3.23	-63.44
O=C(N[C@H]1CN(C(=O)C23CCC[N@H+]2CCCC3)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030358778	1	52	0.0	-66.67	378.53	3.23	-63.44
O=C(N[C@H]1CN(C(=O)C23CCC[N@@H+]2CC=CC3)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030358789	0	50	0.0	-66.37	371.86	3.13	-63.24
O=C(N[C@H]1CN(C(=O)C23CCC[N@H+]2CC=CC3)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030358789	1	50	0.0	-66.37	371.86	3.13	-63.24
CC(OCC[NH+](C)C)C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030358800	0	51	0.0	-73.05	401.82	3.07	-69.98
C[NH+](C)CCOCCC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030358812	0	51	0.0	-75.84	406.67	2.35	-73.49
COCCN(C)CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030358814	0	48	0.0	-73.93	380.28	1.33	-72.60
COCC[N@H+](C)CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030358814	1	48	0.0	-74.60	380.54	1.34	-73.26
COCC[N@@H+](C)CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030358814	1	48	0.0	-74.60	380.54	1.34	-73.26
CC(CCC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030358821	0	50	0.0	-73.24	387.48	3.28	-69.96
CC[N@H+](CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030358857	0	48	0.0	-69.77	378.81	3.54	-66.23
CC[N@@H+](CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030358857	1	48	0.0	-69.53	375.01	3.28	-66.25
CC1C[N@@H+]2CCN1C(C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030358875	0	51	0.0	-81.27	379.85	0.19	-81.08
CC1C[N@H+]2CCN1C(C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030358875	1	51	0.0	-79.93	379.60	0.16	-79.77
C[N@@H+]1CC2CC1(C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030358906	0	46	0.0	-74.22	357.11	2.52	-71.70
C[N@H+]1CC2CC1(C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030358906	1	46	0.0	-73.05	357.59	2.45	-70.60
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030358916	1	48	0.0	-75.90	393.64	2.19	-73.71
O=C(C[N@@H+]1CC2CCC1C2)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030358924	0	49	0.0	-71.65	376.90	3.63	-68.02
O=C(C[N@H+]1CC2CCC1C2)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030358924	1	49	0.0	-71.52	376.58	3.59	-67.93
CC(C)[NH+]1CCC(CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030358939	0	57	0.0	-69.42	427.68	5.12	-64.30
CC(C[NH+](C)C)C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030358953	0	47	0.0	-75.49	368.11	2.65	-72.84
C[NH+](C)C1(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030358971	0	45	0.0	-75.00	352.85	2.18	-72.82
C[C@H](C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030358998	0	44	0.0	-71.37	346.23	1.88	-69.49
CC[N@@H+]1CCC1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030359009	1	45	0.0	-70.82	354.14	2.20	-68.62
CC[N@H+]1CCC1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030359009	1	45	0.0	-72.62	360.93	2.47	-70.15
CC(C)[N@@H+]1CCCC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030359023	0	54	0.0	-65.42	399.41	4.32	-61.10
CC(C)[N@H+]1CCCC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030359023	1	54	0.0	-71.80	408.51	4.22	-67.58
CCC(C)(C)[NH2+]C(C)C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030359044	0	53	0.0	-71.17	394.45	2.14	-69.03
C#CC[N@H+]1CCCCC1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030359096	1	50	0.0	-70.28	384.84	3.80	-66.48
C#CC[N@@H+]1CCCCC1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030359096	1	50	0.0	-71.95	387.97	3.93	-68.02
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030359100	1	47	0.0	-67.61	382.87	2.16	-65.45
NC1=CC=[NH+]C=C1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030359101	0	41	0.0	-75.08	341.70	-0.52	-75.60
CCCC(C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030359113	0	50	0.0	-70.16	379.91	3.18	-66.98
C[NH+](C)C(C)(C)C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030359121	0	47	0.0	-73.74	350.93	2.00	-71.74
CC(CC[NH+](C)C)C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030359147	0	50	0.0	-75.67	391.03	3.31	-72.36
O=C(N[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030359202	0	55	0.0	-79.00	401.50	4.15	-74.85
O=C(N[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030359202	1	55	0.0	-65.44	404.90	4.92	-60.52
O=C(N[C@H]1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030359238	0	50	0.0	-70.90	387.42	3.94	-66.96
O=C(N[C@H]1CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030359238	1	50	0.0	-71.69	383.32	4.81	-66.88
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030359292	0	51	0.0	-68.52	392.38	3.47	-65.05
C[N@H+]1CC(C)(C)CC1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030359292	1	51	0.0	-70.01	391.25	3.49	-66.52
C[NH+](C)CCCCCC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030359297	0	53	0.0	-74.60	417.08	4.47	-70.13
O=C(CC[NH+]1CCC(O)CC1)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030359302	0	52	0.0	-78.82	404.88	0.60	-78.22
CCC[N@@H+]1CCCCC1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030359308	0	54	0.0	-68.22	409.41	4.42	-63.80
CCC[N@H+]1CCCCC1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030359308	1	54	0.0	-68.61	409.20	4.42	-64.19
CC[NH+]1CCN(CCC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030359317	0	56	0.0	-77.39	428.42	2.22	-75.17
CCN1CC[NH+](CCC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030359317	1	56	0.0	-76.38	427.67	2.09	-74.29
C[NH+]1CCN(CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030359320	1	50	0.0	-74.46	388.81	1.00	-73.46
CC(C)C[NH+]1CCC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030359449	0	57	0.0	-69.11	430.68	5.15	-63.96
CC1C[N@H+](C)CC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030359452	1	49	0.0	-76.90	377.37	2.31	-74.59
CC1C[N@@H+](C)CC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030359452	1	49	0.0	-74.33	376.42	2.30	-72.03
CCC1CCC[N@H+](CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030359486	0	54	0.0	-71.48	403.71	4.16	-67.32
CCC1CCC[N@@H+](CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030359486	1	54	0.0	-74.05	411.19	4.62	-69.43
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030359496	0	49	0.0	-86.91	393.57	2.92	-83.99
O=C(C[NH+]1CC2CC2C1)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030359518	0	46	0.0	-73.88	364.99	3.33	-70.55
O=C(CC1([NH+]2CCCC2)CC1)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030359536	0	52	0.0	-70.57	395.37	4.31	-66.26
CC([NH2+]C1(CO)CCCC1)C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030359553	0	55	0.0	-71.57	411.63	-0.56	-72.13
C[N@@H+]1CCCCC1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030359586	0	48	0.0	-68.73	370.54	3.09	-65.64
C[N@H+]1CCCCC1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030359586	1	48	0.0	-69.28	369.94	3.04	-66.24
CC(C)C[N@@H+]1CCCC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030359598	0	57	0.0	-70.56	422.88	5.27	-65.29
CC(C)C[N@H+]1CCCC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030359598	1	57	0.0	-72.17	422.88	5.14	-67.03
C[NH+](C)C1CCN(CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030359663	0	56	0.0	-74.57	423.47	2.22	-72.35
C[N@@H+]1CCC(=CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030359735	0	46	0.0	-78.95	367.67	3.08	-75.87
C[N@H+]1CCC(=CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030359735	1	46	0.0	-78.99	367.62	3.06	-75.93
O=C(CNC1=CC=[NH+]C=C1)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030359741	0	44	0.0	-75.94	365.49	0.77	-75.17
CC[NH+]1CCN(CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030359811	0	53	0.0	-73.54	406.04	1.64	-71.90
O=C(C=C1C[NH+]2CCC1CC2)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030359814	0	50	0.0	-68.33	384.98	3.91	-64.42
C[NH+](C)C1(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030359863	0	51	0.0	-70.43	374.55	2.94	-67.49
C[N@H+](CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300030359878	0	52	0.0	-68.13	400.79	0.89	-67.24
C[N@@H+](CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300030359878	1	52	0.0	-71.33	401.13	0.90	-70.43
CCC1C[NH+](CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030359884	0	48	0.0	-74.71	382.81	3.40	-71.31
O=C(N[C@H]1CN(C(=O)C2C[NH+](C3CCOCC3)C2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030359888	0	53	0.0	-79.92	412.99	2.46	-77.46
O=C(N[C@H]1CN(C(=O)C2([NH+]3CCCC3)CCC2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030359890	0	52	0.0	-71.33	386.95	3.75	-67.58
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030359905	0	45	0.0	-69.15	352.06	2.28	-66.87
C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030359905	1	45	0.0	-70.97	348.57	2.04	-68.93
CC[N@@H+]1CCOCC1CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030359945	0	52	0.0	-75.61	393.85	1.87	-73.74
O=C(N[C@H]1CN(C(=O)C2C[NH+](C3CCCCC3)C2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030359973	0	55	0.0	-74.95	421.27	4.85	-70.10
COC1C[N@@H+]2CCCC2(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030359989	0	53	0.0	-66.34	400.56	1.76	-64.58
COC1C[N@H+]2CCCC2(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030359989	1	53	0.0	-66.34	400.56	1.76	-64.58
NC1=NC2=CC(C(=O)N3CC[C@@H](F)[C@@H](NC(=O)C4=CC(=O)[N-]O4)C3)=CC=C2N1	REAL300030360057	0	45	0.0	-77.44	374.48	2.47	-74.97
NC1=[NH+]C2=CC(C(=O)N3CC[C@@H](F)[C@@H](NC(=O)C4=CC(=O)[N-]O4)C3)=CC=C2N1	REAL300030360057	1	45	0.0	-77.44	374.48	2.47	-74.97
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030360105	0	48	0.0	-73.85	379.13	3.25	-70.60
C[NH+](C)CCC1(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030360118	0	57	0.0	-78.11	421.90	4.52	-73.59
CC1CCCC(C)[NH+]1CCC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030360120	0	57	0.0	-72.43	420.80	4.67	-67.76
C[NH+](C)C1CCC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030360123	0	54	0.0	-78.39	408.51	4.22	-74.17
C[NH+](C)CCC1(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030360124	0	51	0.0	-76.15	402.41	3.92	-72.23
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030360126	0	54	0.0	-68.76	399.06	3.99	-64.77
C[N@@H+]1CC=CCC1CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030360127	0	49	0.0	-77.82	381.28	3.61	-74.21
C[N@H+]1CC=CCC1CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030360127	1	49	0.0	-67.10	376.37	3.55	-63.55
CC1=CC(C=CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C[NH+]=C1N	REAL300030360187	1	48	0.0	-80.36	393.85	2.49	-77.87
C[NH+](C)CCOCC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030360201	0	48	0.0	-74.60	385.71	2.64	-71.96
CCCCC[N@H+](C)CCC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030360207	0	56	0.0	-77.40	434.81	5.10	-72.30
CCCCC[N@@H+](C)CCC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030360207	1	56	0.0	-77.38	434.81	5.09	-72.29
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030360220	0	52	0.0	-74.30	404.05	3.59	-70.71
[NH2+]=C1SC=CN1CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030360251	0	41	0.0	-69.60	356.84	1.68	-67.92
C[C@@H](OCC[NH+](C)C)C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030360340	0	51	0.0	-71.08	402.56	3.10	-67.98
O=C(CC[NH+]1CCCCCC1)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030360407	0	54	0.0	-76.99	404.25	4.18	-72.81
O=C(C[NH+]1CCCCC1)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030360411	0	48	0.0	-73.40	371.93	3.38	-70.02
C[N@@H+]1CCCC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030360413	0	48	0.0	-67.11	374.17	3.04	-64.07
C[N@H+]1CCCC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030360413	1	48	0.0	-71.05	366.47	3.20	-67.85
O=C(C[NH+]1CCC(CO)CC1)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030360414	0	52	0.0	-77.34	403.57	0.68	-76.66
O=C(C[NH+]1CCCCCC1)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030360420	0	51	0.0	-73.01	381.17	3.55	-69.46
CN1C=C[N+](CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030360427	0	43	0.0	-71.46	361.01	5.01	-66.45
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030360445	0	57	0.0	-83.75	407.22	3.59	-80.16
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030360445	1	57	0.0	-75.49	411.41	4.13	-71.36
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030360450	1	48	0.0	-83.86	390.46	3.26	-80.60
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300030360458	0	50	0.0	-84.33	404.00	3.25	-81.08
O=C(C[NH+]1CCC(O)CC1)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030360475	1	49	0.0	-78.70	382.99	0.01	-78.69
C[N@H+](CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030360481	0	45	0.0	-71.14	359.59	2.91	-68.23
C[N@@H+](CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030360481	1	45	0.0	-71.05	359.57	2.91	-68.14
CC(C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300030360483	1	53	0.0	-72.11	400.00	1.17	-70.94
O=C(CC[N@H+]1CCC(F)C1)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030360487	0	48	0.0	-76.94	384.79	3.36	-73.58
O=C(CC[N@@H+]1CCC(F)C1)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030360487	1	48	0.0	-80.31	384.77	3.36	-76.95
COC1C[N@H+](C)C(C)(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030360502	0	52	0.0	-69.72	392.80	1.24	-68.48
COC1C[N@@H+](C)C(C)(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030360502	1	52	0.0	-73.17	389.41	1.27	-71.90
CC(CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030360524	0	50	0.0	-75.58	387.42	3.57	-72.01
O=C(N[C@H]1CN(C(=O)C2CC[N@@H+]3CCOCC23)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030360546	0	50	0.0	-70.96	381.06	1.80	-69.16
O=C(N[C@H]1CN(C(=O)C2CC[N@H+]3CCOCC23)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030360546	1	50	0.0	-70.23	388.86	1.83	-68.40
CC1=[NH+]C=C2C=CC(C(=O)N3CC[C@@H](F)[C@@H](NC(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300030360552	0	46	0.0	-74.26	385.63	4.62	-69.64
C[N@@H+]1CCOCC1CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030360572	1	49	0.0	-80.88	380.73	1.37	-79.51
C[N@H+]1CCOCC1CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030360572	1	49	0.0	-69.76	373.29	1.21	-68.55
CC[NH+]1CCN(CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030360583	0	53	0.0	-73.54	406.04	1.64	-71.90
CC1=CC(N)=[NH+]C=C1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030360651	1	44	0.0	-75.82	362.74	0.79	-75.03
NC1=CC=C(CCC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300030360654	0	47	0.0	-75.25	388.88	2.05	-73.20
CC1(O)CC[N@H+](CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030360709	0	49	0.0	-72.27	386.19	-0.09	-72.36
CC1(O)CC[N@@H+](CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030360709	1	49	0.0	-73.97	386.39	-0.09	-74.06
C[NH+](C)CCN1N=CC=C1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030360717	0	51	0.0	-65.05	407.29	2.69	-62.36
C[NH+]1CC(CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030360752	0	45	0.0	-74.39	361.64	2.38	-72.01
O=C(N[C@H]1CN(C(=O)C2CC[N@@H+]2C2CCCC2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030360758	0	52	0.0	-73.79	400.94	4.36	-69.43
O=C(N[C@H]1CN(C(=O)C2CC[N@H+]2C2CCCC2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030360758	1	52	0.0	-73.81	404.88	4.35	-69.46
C[NH+](C)CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030360767	0	41	0.0	-74.18	330.18	1.50	-72.68
C[N@H+](CCO)CCC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030360807	0	48	0.0	-75.32	380.67	-0.43	-75.75
C[N@@H+](CCO)CCC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030360807	1	48	0.0	-74.74	380.65	-0.47	-75.21
C[C@@H](C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030360808	0	44	0.0	-70.89	345.75	1.82	-69.07
C[N@@H+]1CCCCC1CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030360832	0	51	0.0	-65.70	381.95	3.63	-62.07
C[N@H+]1CCCCC1CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030360832	1	51	0.0	-66.51	381.97	3.61	-62.90
CC1=C2C=C(C(=O)N3CC[C@@H](F)[C@@H](NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030360862	1	46	0.0	-78.18	386.25	5.46	-72.72
CC(C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300030360863	0	48	0.0	-70.85	379.15	3.02	-67.83
CC1CC[N@@H+]1CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030360869	1	45	0.0	-71.13	356.45	2.40	-68.73
CC1CC[N@H+]1CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030360869	1	45	0.0	-71.20	356.00	2.33	-68.87
C[NH+](C)CC=CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030360887	0	45	0.0	-80.61	364.63	2.73	-77.88
CC1(C)C[NH+](CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030360901	1	48	0.0	-74.11	380.78	3.11	-71.00
O=C(CCCC[NH+]1CCCCC1)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030360915	0	57	0.0	-74.52	437.22	5.57	-68.95
CC1=C(C)[NH+]=C(CCC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030360928	1	49	0.0	-70.43	400.04	2.84	-67.59
C[NH+]1CCC(C2(C(=O)N3CC[C@@H](F)[C@@H](NC(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030360939	0	55	0.0	-75.13	416.39	4.85	-70.28
CC1=C2C=C(C(=O)N3CC[C@@H](F)[C@@H](NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030360949	1	46	0.0	-78.18	386.25	5.46	-72.72
C[NH+](C)CCSCC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030360961	0	48	0.0	-81.98	396.73	3.54	-78.44
O=C(C[N@H+]1CCCC1CO)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030360990	0	49	0.0	-72.45	379.83	-0.41	-72.86
O=C(C[N@@H+]1CCCC1CO)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030360990	1	49	0.0	-72.46	379.75	-0.42	-72.88
CC[NH+](CC)CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030360994	0	47	0.0	-71.81	361.75	2.57	-69.24
C[N@H+](CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300030361005	0	49	0.0	-79.12	389.56	3.76	-75.36
C[N@@H+](CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300030361005	1	49	0.0	-78.20	389.49	3.77	-74.43
O=C(C[NH+]1CCC1)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030361007	1	42	0.0	-74.00	340.52	1.98	-72.02
CC[NH+](CC)CCC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030361067	0	50	0.0	-74.53	388.32	3.49	-71.04
NC(=O)C1CC[NH+](CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030361092	0	52	0.0	-83.79	407.82	0.05	-83.74
C[NH+](C)CC1=CNC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030361144	0	49	0.0	-81.35	393.04	3.00	-78.35
CC(C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300030361165	0	52	0.0	-73.92	399.26	0.36	-73.56
O=C(N[C@H]1CN(C(=O)C2CC3COCC[N@@H+]3C2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030361173	0	50	0.0	-72.28	388.03	1.82	-70.46
O=C(N[C@H]1CN(C(=O)C2CC3COCC[N@H+]3C2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030361173	1	50	0.0	-72.86	385.01	1.73	-71.13
CC(C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030361191	1	45	0.0	-70.69	349.03	2.05	-68.64
CCC(CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030361202	0	53	0.0	-76.01	401.33	4.07	-71.94
NC1=CC=C(C=CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300030361210	0	45	0.0	-78.27	376.17	1.76	-76.51
C[NH+](C)CC(C)(C)C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030361211	0	50	0.0	-71.99	368.36	2.75	-69.24
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030361284	0	48	0.0	-72.99	362.83	2.73	-70.26
C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030361284	1	48	0.0	-69.24	370.66	3.09	-66.15
CC1CN2CC[N@@H+]1CC2C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030361301	0	51	0.0	-78.93	379.72	0.12	-78.81
CC1CN2CC[N@H+]1CC2C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030361301	1	51	0.0	-77.74	379.48	0.12	-77.62
C[NH+](C)CC(O)CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030361330	0	48	0.0	-78.88	382.84	0.58	-78.30
C[NH+]1C2CCC1CC(C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030361333	0	52	0.0	-73.17	389.86	3.61	-69.56
C=CCC(C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030361378	0	48	0.0	-69.46	371.63	2.99	-66.47
O=C(N[C@H]1CN(C(=O)C2CC3CCCC[N@@H+]3C2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030361390	0	52	0.0	-75.10	394.60	4.08	-71.02
O=C(N[C@H]1CN(C(=O)C2CC3CCCC[N@H+]3C2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030361390	1	52	0.0	-70.68	393.99	4.13	-66.55
C[NH+]1CCC(C)(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030361404	0	51	0.0	-72.70	378.56	2.99	-69.71
C[NH+]1CCC(O)(CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030361409	0	52	0.0	-75.33	400.69	1.86	-73.47
COCC[N@@H+]1CCCC1CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030361424	0	55	0.0	-74.49	419.46	2.88	-71.61
COCC[N@H+]1CCCC1CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030361424	1	55	0.0	-75.07	421.89	2.61	-72.46
C[NH+]1C2CCC1CC(CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030361436	0	55	0.0	-71.28	408.86	4.50	-66.78
C[NH+](C)CCN1N=CC=C1C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030361472	0	51	0.0	-63.70	406.85	2.84	-60.86
C[NH+]1CCC(C2(C(=O)N[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@H]3F)CC2)CC1	REAL300030361517	0	55	0.0	-64.04	415.28	5.03	-59.01
CC1=C2C=C(C(=O)N[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@H]3F)C=CN2C=[NH+]1	REAL300030361528	1	46	0.0	-76.44	379.27	5.44	-71.00
C[NH+](C)CCSCC(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030361539	0	48	0.0	-78.29	393.63	3.19	-75.10
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1CC2COCC[N@@H+]2C1	REAL300030361551	0	50	0.0	-73.71	385.64	1.70	-72.01
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1CC2COCC[N@H+]2C1	REAL300030361551	1	50	0.0	-71.23	385.35	1.73	-69.50
C[N@@H+]1CCCC1C(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030361715	0	50	0.0	-73.13	371.89	2.83	-70.30
C[N@H+]1CCCC1C(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030361715	1	50	0.0	-75.06	366.09	2.39	-72.67
C[N@@H+]1CCOC(C(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030361739	1	51	0.0	-84.82	384.58	2.31	-82.51
C[N@H+]1CCOC(C(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030361739	1	51	0.0	-83.50	383.40	2.28	-81.22
CC(C)[N@@H+]1CCCC1C(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030361885	0	56	0.0	-73.65	389.71	3.52	-70.13
CC(C)[N@H+]1CCCC1C(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030361885	1	56	0.0	-74.03	399.05	3.97	-70.06
CC1=[NH+]C=CN1CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030361912	1	48	0.0	-72.50	375.44	3.43	-69.07
O=C(NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1C[NH+]2CCC1CC2	REAL300030361933	0	54	0.0	-80.58	388.36	3.66	-76.92
C[C@@H]1[C@H](C(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030361962	0	53	0.0	-78.78	383.81	2.84	-75.94
C[C@@H]1[C@H](C(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030361962	1	53	0.0	-74.78	388.52	3.33	-71.45
CC[C@@H]1[C@@H](C(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030361964	0	56	0.0	-78.44	404.58	3.56	-74.88
CC[C@@H]1[C@@H](C(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030361964	1	56	0.0	-76.40	409.12	3.91	-72.49
CC[N@@H+]1CCOC(C(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030361969	1	54	0.0	-81.89	401.44	2.89	-79.00
CC[N@H+]1CCOC(C(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030361969	1	54	0.0	-85.26	401.03	2.92	-82.34
CC[NH+](CC)CC(F)C(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030361990	0	55	0.0	-76.83	410.02	3.76	-73.07
CC1CCC(C)[NH+]1CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030362017	0	56	0.0	-74.14	403.96	3.73	-70.41
O=C(CCC[NH+]1CCCC1)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030362020	0	56	0.0	-75.84	416.01	4.32	-71.52
O=C(CC[NH+]1CCCCC1)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030362022	0	56	0.0	-77.65	410.61	4.15	-73.50
C[N@H+](CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300030362057	0	53	0.0	-75.29	393.14	3.84	-71.45
C[N@@H+](CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300030362057	1	53	0.0	-75.11	392.40	3.79	-71.32
C[N@@H+]1CCCC1CCC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030362119	0	56	0.0	-78.55	413.33	4.30	-74.25
C[N@H+]1CCCC1CCC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030362119	1	56	0.0	-75.69	408.73	3.78	-71.91
C[NH+]1CCC(C(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030362132	0	53	0.0	-78.96	391.50	3.51	-75.45
O=C(NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN2C=[NH+]C=C2C=C1	REAL300030362207	0	48	0.0	-75.91	377.08	5.36	-70.55
O=C(CC[NH+]1CCOCC1)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030362213	1	54	0.0	-81.15	402.11	1.74	-79.41
CC1=C[NH+]=CN1CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030362224	1	48	0.0	-75.77	375.62	4.16	-71.61
C[N@@H+]1CCC(CC(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030362247	0	53	0.0	-75.97	393.87	3.47	-72.50
C[N@H+]1CCC(CC(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030362247	1	53	0.0	-75.37	392.93	3.56	-71.81
CCC(C(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030362254	0	52	0.0	-73.95	376.33	2.81	-71.14
O=C(NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC2=C[NH+]=CN2C=C1	REAL300030362274	1	48	0.0	-79.32	377.35	5.38	-73.94
C[NH+](C)CCCCC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030362299	0	55	0.0	-77.75	412.20	3.86	-73.89
CCC[N@H+](C)CCC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030362310	0	55	0.0	-78.20	408.51	3.80	-74.40
CCC[N@@H+](C)CCC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030362310	1	55	0.0	-78.83	408.43	3.68	-75.15
CCC[N@H+](C)CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030362312	0	52	0.0	-77.51	386.15	3.27	-74.24
CCC[N@@H+](C)CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030362312	1	52	0.0	-76.86	385.23	3.23	-73.63
O=C(NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CC[N@H+](C1)CCC2	REAL300030362323	0	54	0.0	-82.66	387.45	3.07	-79.59
O=C(NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C12CC[N@@H+](C1)CCC2	REAL300030362323	1	54	0.0	-75.58	388.22	3.05	-72.53
C[N@@H+]1CCC[C@@H]1C(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030362346	0	50	0.0	-75.18	366.82	2.43	-72.75
C[N@H+]1CCC[C@@H]1C(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030362346	1	50	0.0	-73.64	372.92	2.83	-70.81
CC[NH+](CC)CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030362374	0	52	0.0	-75.56	382.52	3.07	-72.49
CC1CC[NH+](CC(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030362424	0	56	0.0	-78.42	409.26	4.25	-74.17
C[NH+](C)CC1(C(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030362439	0	53	0.0	-80.94	398.42	3.69	-77.25
C[NH+]1CCC(C(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030362481	0	53	0.0	-78.96	391.50	3.51	-75.45
CCC(C(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](CC)CC	REAL300030362508	0	58	0.0	-70.63	409.96	4.23	-66.40
CC[N@H+](C)CCC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030362539	0	52	0.0	-77.51	387.01	3.06	-74.45
CC[N@@H+](C)CCC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030362539	1	52	0.0	-78.05	386.70	2.92	-75.13
CC1CCC[N@@H+]1CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030362562	0	53	0.0	-74.50	391.88	3.54	-70.96
CC1CCC[N@H+]1CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030362562	1	53	0.0	-73.16	391.54	3.70	-69.46
CC1CC[N@H+](CC(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030362563	0	53	0.0	-75.73	391.54	3.51	-72.22
CC1CC[N@@H+](CC(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030362563	1	53	0.0	-76.61	392.67	3.48	-73.13
CC1(C)CC[N@H+](CC(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030362566	0	56	0.0	-76.19	410.90	4.07	-72.12
CC1(C)CC[N@@H+](CC(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030362566	1	56	0.0	-76.65	412.35	3.99	-72.66
C[N@H+](CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300030362567	0	58	0.0	-76.81	413.22	4.20	-72.61
C[N@@H+](CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300030362567	1	58	0.0	-76.13	416.33	4.37	-71.76
CC[C@@H](C(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030362574	0	52	0.0	-73.96	376.36	2.81	-71.15
C[NH+](C)CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030362656	0	46	0.0	-78.12	346.84	1.72	-76.40
O=C(C[NH+]1CCCCCC1)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030362659	0	56	0.0	-78.17	400.06	4.25	-73.92
CN1C=C[N+](CC(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030362662	0	48	0.0	-74.21	378.15	5.36	-68.85
C[N@@H+]1CCCC(C(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030362665	0	53	0.0	-76.31	390.55	3.43	-72.88
C[N@H+]1CCCC(C(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030362665	1	53	0.0	-71.23	384.97	3.56	-67.67
O=C(NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@@H+]1C1CC1	REAL300030362669	0	54	0.0	-72.10	404.45	4.27	-67.83
O=C(NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@H+]1C1CC1	REAL300030362669	1	54	0.0	-71.61	399.58	4.25	-67.36
CC(C(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300030362682	1	50	0.0	-74.10	374.67	2.90	-71.20
CCC(CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300030362686	0	58	0.0	-78.42	417.60	4.35	-74.07
O=C(C[NH+]1CCC(O)CC1)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030362701	1	54	0.0	-82.05	399.41	0.25	-81.80
C[N@H+](CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030362702	0	50	0.0	-74.44	376.18	3.26	-71.18
C[N@@H+](CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030362702	1	50	0.0	-74.46	376.18	3.26	-71.20
C[NH+]1CC(CC(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030362714	0	50	0.0	-77.90	378.28	2.55	-75.35
CC(C)(C)[N@@H+]1CCC1C(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030362724	0	56	0.0	-73.01	391.01	2.48	-70.53
CC(C)(C)[N@H+]1CCC1C(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030362724	1	56	0.0	-73.64	391.60	2.93	-70.71
C[C@@H](C(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030362735	0	49	0.0	-75.16	364.75	2.27	-72.89
[NH2+]=C1SC=CN1CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030362784	0	46	0.0	-72.67	373.99	2.03	-70.64
C[N@H+](CCO)CCC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030362789	0	53	0.0	-77.44	397.29	-0.27	-77.71
C[N@@H+](CCO)CCC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030362789	1	53	0.0	-77.11	397.41	-0.21	-77.32
C[C@@H](C(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030362790	0	49	0.0	-75.16	364.75	2.27	-72.89
C[N@@H+]1CCCC[C@@H]1C(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030362794	0	53	0.0	-73.10	378.76	3.35	-69.75
C[N@H+]1CCCC[C@@H]1C(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030362794	1	53	0.0	-72.17	388.62	3.47	-68.70
C[N@@H+]1CCC(=CC(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030362853	0	51	0.0	-78.50	385.98	3.41	-75.09
C[N@H+]1CCC(=CC(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030362853	1	51	0.0	-78.32	385.49	3.30	-75.02
C[NH+](C)CCOCC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030362871	0	53	0.0	-74.92	402.71	2.78	-72.14
C=CCC(C)(C(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030362883	0	56	0.0	-79.54	398.07	3.96	-75.58
CC1CN(CC(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030362917	0	50	0.0	-77.67	377.88	2.83	-74.84
CC1C[NH+](CC(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030362917	1	50	0.0	-77.67	377.88	2.83	-74.84
CN(CCO)CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030362934	0	50	0.0	-77.75	375.00	-0.71	-78.46
C[N@H+](CCO)CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030362934	1	50	0.0	-77.35	374.49	-0.86	-78.21
C[N@@H+](CCO)CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030362934	1	50	0.0	-77.35	374.49	-0.86	-78.21
CC[N@@H+]1CCCC(C(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030362951	0	56	0.0	-73.90	408.48	4.23	-69.67
CC[N@H+]1CCCC(C(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030362951	1	56	0.0	-73.90	408.48	4.23	-69.67
CC(CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300030362953	0	55	0.0	-78.01	404.03	3.72	-74.29
CC[N@H+](C)CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030362957	0	49	0.0	-76.42	363.74	2.48	-73.94
CC[N@H+](CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030362986	0	53	0.0	-74.94	392.59	3.68	-71.26
CC[NH+](CC)CCC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030362995	0	55	0.0	-77.37	400.55	3.36	-74.01
CC1(O)CC[N@H+](CC(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030363028	0	54	0.0	-76.67	402.62	0.17	-76.50
C[NH+](C)CC=CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030363030	0	50	0.0	-79.15	384.14	3.13	-76.02
CC(OCC[NH+](C)C)C(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030363036	0	56	0.0	-73.64	422.62	3.57	-70.07
C[NH+](C)CCOCCC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030363042	0	56	0.0	-76.32	423.67	2.52	-73.80
COCCN(C)CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030363043	0	53	0.0	-77.18	396.74	1.56	-75.62
COCC[N@H+](C)CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030363043	1	53	0.0	-78.03	397.25	1.69	-76.34
COCC[N@@H+](C)CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030363043	1	53	0.0	-78.03	397.25	1.69	-76.34
CC(CCC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030363060	0	55	0.0	-75.74	403.50	3.45	-72.29
CCN1CCC1C(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030363066	0	50	0.0	-75.70	371.36	2.45	-73.25
CC[N@@H+]1CCC1C(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030363066	1	50	0.0	-74.63	377.83	2.79	-71.84
CC[N@H+]1CCC1C(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030363066	1	50	0.0	-74.63	377.83	2.79	-71.84
O=C(C[N@H+]1CCCC1CO)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030363077	0	54	0.0	-76.92	400.18	0.47	-76.45
C=CCC(C(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030363109	0	53	0.0	-73.62	388.85	3.22	-70.40
C[N@@H+]1CC(C)(C)CC1C(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030363113	0	56	0.0	-72.69	411.61	4.04	-68.65
C[NH+](C)CCCCCC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030363115	0	58	0.0	-76.74	433.70	4.65	-72.09
CCCC(C(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030363134	0	55	0.0	-75.86	401.96	3.70	-72.16
C[N@@H+]1CCCCC1C(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030363157	0	53	0.0	-74.49	379.37	3.18	-71.31
C[N@H+]1CC=C(CC(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030363177	0	54	0.0	-73.22	406.06	4.18	-69.04
C[N@@H+]1CC=C(CC(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030363177	1	54	0.0	-73.22	406.06	4.18	-69.04
O=C(C=CC[NH+]1CCCC1)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030363206	0	54	0.0	-77.98	409.22	4.29	-73.69
O=C(CC[NH+]1CCCC1)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030363232	0	53	0.0	-78.05	394.20	3.40	-74.65
O=C(C[N@@H+]1CC2CCC1C2)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030363261	0	54	0.0	-73.72	390.08	3.74	-69.98
CC(C[NH+](C)C)C(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030363319	0	52	0.0	-72.41	384.90	3.13	-69.28
C[N@@H+]1CCCCC1CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030363358	0	56	0.0	-70.94	398.42	3.80	-67.14
C[N@H+]1CCCCC1CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030363358	1	56	0.0	-70.94	398.42	3.80	-67.14
CC(C(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)N1CC(C)C1	REAL300030363367	0	53	0.0	-74.18	394.43	3.58	-70.60
CC(C(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CC(C)C1	REAL300030363367	1	53	0.0	-74.18	394.43	3.58	-70.60
CC1CCN1CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030363369	0	50	0.0	-74.72	372.67	2.67	-72.05
CC1CC[N@@H+]1CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030363369	1	50	0.0	-75.04	377.58	3.02	-72.02
CC1CC[N@H+]1CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030363369	1	50	0.0	-75.04	377.58	3.02	-72.02
C[NH+](C)CC(O)CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030363371	0	53	0.0	-80.80	399.45	0.76	-80.04
CC1CN(C)CC(C(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030363386	0	54	0.0	-85.95	398.15	2.49	-83.46
CC1C[N@H+](C)CC(C(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030363386	1	54	0.0	-89.01	405.55	3.04	-85.97
CC1C[N@@H+](C)CC(C(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030363386	1	54	0.0	-89.01	405.55	3.04	-85.97
C[NH+](C)[C@H]1C[C@H](C(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030363424	0	53	0.0	-72.63	395.98	3.68	-68.95
CC(CC[NH+](C)C)C(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030363429	0	55	0.0	-76.29	406.98	3.74	-72.55
CN1CCN(CC(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030363443	0	55	0.0	-75.49	405.93	1.36	-74.13
C[NH+]1CCN(CC(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030363443	1	55	0.0	-75.49	405.93	1.36	-74.13
NC(=[NH2+])SCC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030363464	0	44	0.0	-78.57	354.76	-1.33	-79.90
C[N@@H+]1CC=CCC1CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030363487	0	54	0.0	-70.27	392.55	3.93	-66.34
C[N@H+]1CC=CCC1CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030363487	1	54	0.0	-70.27	392.55	3.93	-66.34
C[C@@H](OCC[NH+](C)C)C(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030363499	0	56	0.0	-73.43	422.58	3.60	-69.83
C[N@H+]1CCC[C@H]1C(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030363563	1	50	0.0	-76.13	366.64	2.27	-73.86
O=C(CC[N@@H+]1CCC(F)C1)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030363569	1	53	0.0	-80.22	400.81	3.75	-76.47
O=C(C[NH+]1CCCCC1)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030363582	0	53	0.0	-77.53	388.33	3.59	-73.94
CC1C(C(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030363587	0	53	0.0	-74.29	385.21	3.22	-71.07
CC1C(C(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030363587	1	53	0.0	-74.94	392.71	3.48	-71.46
CN1CCOCC1CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030363614	0	54	0.0	-81.93	397.60	1.66	-80.27
C[N@@H+]1CCOCC1CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030363614	1	54	0.0	-79.86	396.72	1.76	-78.10
C[N@H+]1CCOCC1CC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030363614	1	54	0.0	-81.93	397.60	1.66	-80.27
C[N@H+]1CCCC1C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030363781	1	50	0.0	-64.38	372.07	2.85	-61.53
CN1CCOC(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030363807	0	51	0.0	-82.78	382.72	2.34	-80.44
C[N@@H+]1CCOC(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030363807	1	51	0.0	-72.10	375.74	2.06	-70.04
C[N@H+]1CCOC(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030363807	1	51	0.0	-82.78	382.72	2.34	-80.44
O=C(CC[NH+]1CCOCC1)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030363958	1	54	0.0	-70.56	404.33	2.13	-68.43
O=C(NC1C2COCC1CN(C(=O)C13CCC[NH+]1CCC3)C2)C1=CC(=O)[N-]O1	REAL300030363968	0	54	0.0	-70.29	375.45	3.64	-66.65
O=C(NC1C2COCC1CN(C(=O)C1=CC3=C[NH+]=CN3C=C1)C2)C1=CC(=O)[N-]O1	REAL300030363974	1	48	0.0	-72.87	379.92	5.20	-67.67
C[N@@H+]1CCC(CC(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030364000	0	53	0.0	-69.28	395.86	3.71	-65.57
C[N@H+]1CCC(CC(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030364000	1	53	0.0	-70.83	396.17	3.64	-67.19
CCC(C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030364007	0	52	0.0	-61.74	366.80	2.82	-58.92
C[NH+](C)CCCCC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030364042	0	55	0.0	-69.82	414.43	4.26	-65.56
CC(C)C(C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030364056	0	55	0.0	-70.53	391.91	3.63	-66.90
CCC[N@H+](C)CCC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030364057	0	55	0.0	-68.85	410.70	4.07	-64.78
CCC[N@@H+](C)CCC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030364057	1	55	0.0	-68.58	410.66	4.08	-64.50
CCC[N@H+](C)CC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030364060	0	52	0.0	-67.96	389.26	3.39	-64.57
CCC[N@@H+](C)CC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030364060	1	52	0.0	-65.59	388.30	3.49	-62.10
O=C(NC1C2COCC1CN(C(=O)C13CC[N@H+](C1)CCC3)C2)C1=CC(=O)[N-]O1	REAL300030364074	0	54	0.0	-69.40	374.71	2.81	-66.59
O=C(NC1C2COCC1CN(C(=O)C13CC[N@@H+](C1)CCC3)C2)C1=CC(=O)[N-]O1	REAL300030364074	1	54	0.0	-68.42	377.77	2.84	-65.58
CC1CC[NH+](CC(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030364107	0	56	0.0	-65.45	411.68	4.55	-60.90
C[NH+](C)CC1(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030364146	0	53	0.0	-65.92	394.46	3.55	-62.37
CC[N@H+](C)CCC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030364165	0	52	0.0	-68.17	389.16	3.35	-64.82
CC[N@@H+](C)CCC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030364165	1	52	0.0	-67.92	389.20	3.33	-64.59
O=C(NC1C2COCC1CN(C(=O)C1C[NH+]3CCC1CC3)C2)C1=CC(=O)[N-]O1	REAL300030364178	0	54	0.0	-73.67	387.59	3.50	-70.17
C[NH+]1CCC(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030364225	0	53	0.0	-77.30	394.09	3.62	-73.68
CC(C)[C@H](C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030364241	0	55	0.0	-65.08	393.12	3.51	-61.57
CC[NH+](CC)CC(F)C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030364294	0	55	0.0	-67.95	411.00	4.04	-63.91
C[NH+](C)C1(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300030364312	0	53	0.0	-75.30	371.97	2.85	-72.45
CCC(C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300030364340	0	58	0.0	-59.24	411.33	4.27	-54.97
CC1CCC[N@@H+]1CC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030364350	0	53	0.0	-62.65	394.37	3.87	-58.78
CC1CCC[N@H+]1CC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030364350	1	53	0.0	-62.67	394.39	3.86	-58.81
CC(C)[N@@H+]1CCCC1C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030364388	0	56	0.0	-67.75	403.79	3.95	-63.80
CC(C)[N@H+]1CCCC1C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030364388	1	56	0.0	-62.90	388.22	3.98	-58.92
CC(C)[C@@H](C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030364395	0	55	0.0	-69.91	392.16	3.61	-66.30
CC1CC[N@H+](CC(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030364408	0	53	0.0	-66.60	395.18	3.67	-62.93
CC1CC[N@@H+](CC(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030364408	1	53	0.0	-66.83	395.85	3.74	-63.09
CC1(C)CC[N@H+](CC(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030364412	0	56	0.0	-66.86	415.01	4.23	-62.63
CC1(C)CC[N@@H+](CC(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030364412	1	56	0.0	-70.81	414.72	4.34	-66.47
C[N@H+](CC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030364413	0	58	0.0	-67.66	417.86	4.37	-63.29
C[N@@H+](CC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030364413	1	58	0.0	-71.09	419.33	4.58	-66.51
CC[C@@H](C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030364421	0	52	0.0	-64.61	370.09	2.69	-61.92
CC1=[NH+]C=CN1CC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030364526	1	48	0.0	-62.29	377.46	3.65	-58.64
CC[N@@H+]1CCOC(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030364581	1	54	0.0	-76.35	401.69	2.88	-73.47
CC[N@H+]1CCOC(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030364581	1	54	0.0	-76.32	400.43	2.88	-73.44
O=C(NC1C2COCC1CN(C(=O)C1=CN3C=[NH+]C=C3C=C1)C2)C1=CC(=O)[N-]O1	REAL300030364610	0	48	0.0	-76.08	384.34	5.34	-70.74
CC1=C[NH+]=CN1CC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030364613	1	48	0.0	-67.69	379.78	4.32	-63.37
C[C@@H]1[C@H](C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030364619	0	53	0.0	-67.80	379.97	3.27	-64.53
C[C@@H]1[C@H](C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030364619	1	53	0.0	-74.90	391.01	3.34	-71.56
CC[C@@H]1[C@@H](C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030364621	0	56	0.0	-67.15	402.39	3.65	-63.50
CC[C@@H]1[C@@H](C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030364621	1	56	0.0	-69.58	409.16	3.88	-65.70
CC1CCC(C)[NH+]1CC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030364628	0	56	0.0	-61.59	406.19	4.10	-57.49
O=C(CCC[NH+]1CCCC1)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030364631	0	56	0.0	-67.67	418.89	4.65	-63.02
O=C(CC[NH+]1CCCCC1)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030364635	0	56	0.0	-67.20	413.07	4.55	-62.65
CC[N@@H+]1CCCCC1C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030364638	0	56	0.0	-66.48	407.40	4.33	-62.15
CC[N@H+]1CCCCC1C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030364638	1	56	0.0	-66.47	406.32	4.25	-62.22
C[N@H+](CC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030364729	0	53	0.0	-65.55	396.25	3.95	-61.60
C[N@@H+](CC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030364729	1	53	0.0	-69.36	395.68	4.00	-65.36
C[NH+]1CCC(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030364757	0	53	0.0	-77.30	394.09	3.62	-73.68
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030364785	0	50	0.0	-62.73	367.78	2.60	-60.13
C[N@H+]1CCC[C@@H]1C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030364785	1	50	0.0	-62.36	371.65	2.87	-59.49
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030364802	1	52	0.0	-68.17	390.56	3.95	-64.22
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030364802	1	52	0.0	-68.80	397.38	4.16	-64.64
C[N@@H+]1CCCC1CCC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030364807	0	56	0.0	-71.41	413.42	4.40	-67.01
C[N@H+]1CCCC1CCC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030364807	1	56	0.0	-68.09	412.82	4.45	-63.64
C[N@@H+]1CCCCC1C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030364876	0	53	0.0	-69.06	378.48	3.18	-65.88
C[N@H+]1CCCCC1C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030364876	1	53	0.0	-62.48	389.11	3.48	-59.00
CC1C(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030364931	0	53	0.0	-66.69	385.07	3.09	-63.60
CC1C(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030364931	1	53	0.0	-69.38	390.25	3.51	-65.87
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030364985	0	56	0.0	-70.32	389.98	3.11	-67.21
CC(C)(C)[N@H+]1CCC1C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030364985	1	56	0.0	-61.64	410.02	3.78	-57.86
C[C@@H](C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030364999	0	49	0.0	-66.61	360.51	2.19	-64.42
C=CCC(C)(C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030365013	0	56	0.0	-67.90	386.42	3.37	-64.53
O=C(CC[NH+]1CCCC1)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030365028	0	53	0.0	-67.43	397.39	3.85	-63.58
C[N@H+](CCO)CC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030365037	1	50	0.0	-72.05	377.64	-0.54	-72.59
C[N@@H+](CCO)CC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030365037	1	50	0.0	-67.96	377.90	-0.60	-68.56
C[N@H+]1CC=C(CC(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030365090	0	54	0.0	-68.32	408.88	4.35	-63.97
C[N@@H+]1CC=C(CC(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030365090	1	54	0.0	-67.02	408.99	4.38	-62.64
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030365111	0	54	0.0	-63.06	383.26	-0.99	-64.05
C[N@H+]1CC(O)CC1(C)C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030365111	1	54	0.0	-61.42	380.66	-1.06	-62.48
CC1C[NH+](CC(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030365139	1	50	0.0	-67.75	381.19	3.09	-64.66
CC[N@@H+]1CCCC(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030365145	0	56	0.0	-67.53	411.82	4.21	-63.32
CC[N@H+]1CCCC(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030365145	1	56	0.0	-72.83	411.47	4.17	-68.66
NC1=[NH+]C=CC=C1CC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030365149	0	49	0.0	-64.32	384.26	1.82	-62.50
O=C(NC1C2COCC1CN(C(=O)C1CCC[N@@H+]1C1CC1)C2)C1=CC(=O)[N-]O1	REAL300030365156	0	54	0.0	-66.33	402.99	4.38	-61.95
O=C(NC1C2COCC1CN(C(=O)C1CCC[N@H+]1C1CC1)C2)C1=CC(=O)[N-]O1	REAL300030365156	1	54	0.0	-69.08	391.46	3.89	-65.19
O=C(C=CC[NH+]1CCCC1)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030365182	0	54	0.0	-76.12	410.31	4.51	-71.61
CC[N@H+](C)CC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030365225	0	49	0.0	-71.35	367.29	2.70	-68.65
O=C(CN1CC2C=CC1C2)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030365258	0	52	0.0	-63.80	388.93	3.87	-59.93
O=C(C[N@@H+]1CC2C=CC1C2)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030365258	1	52	0.0	-65.65	388.88	3.96	-61.69
O=C(C[N@H+]1CC2C=CC1C2)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030365258	1	52	0.0	-65.65	388.88	3.96	-61.69
CC(OCC[NH+](C)C)C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030365338	0	56	0.0	-67.89	420.66	3.66	-64.23
C[NH+](C)CCOCCC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030365345	0	56	0.0	-67.95	425.89	2.91	-65.04
COCCN(C)CC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030365347	0	53	0.0	-67.64	400.15	1.81	-65.83
COCC[N@H+](C)CC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030365347	1	53	0.0	-66.52	399.41	1.91	-64.61
COCC[N@@H+](C)CC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030365347	1	53	0.0	-66.52	399.41	1.91	-64.61
CC(CCC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030365350	0	55	0.0	-67.07	406.42	3.87	-63.20
CC[N@H+](CC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030365365	0	53	0.0	-62.56	395.43	4.03	-58.53
C[N@@H+]1CC2CC1(C(=O)N1CC3COCC(C1)C3NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030365391	0	51	0.0	-67.91	373.06	2.78	-65.13
O=C(C[N@@H+]1CC2CCC1C2)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030365400	0	54	0.0	-65.05	394.46	3.91	-61.14
O=C(C[N@H+]1CC2CCC1C2)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030365400	1	54	0.0	-65.05	394.46	3.91	-61.14
CC(C[NH+](C)C)C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030365414	0	52	0.0	-74.73	386.48	3.18	-71.55
CCN1CCC1C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030365449	0	50	0.0	-66.37	369.73	2.45	-63.92
CC[N@@H+]1CCC1C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030365449	1	50	0.0	-66.02	372.41	2.58	-63.44
CC[N@H+]1CCC1C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030365449	1	50	0.0	-66.02	372.41	2.58	-63.44
CCC(C)(C)[NH2+]C(C)C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030365458	0	58	0.0	-67.39	412.29	2.50	-64.89
CCCC(C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030365492	0	55	0.0	-63.34	396.28	3.78	-59.56
C[NH+](C)C(C)(C)C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030365496	0	52	0.0	-67.52	362.64	2.48	-65.04
CC(CC[NH+](C)C)C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030365509	0	55	0.0	-74.78	408.33	3.80	-70.98
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030365563	0	56	0.0	-62.38	407.36	3.77	-58.61
C[N@H+]1CC(C)(C)CC1C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030365563	1	56	0.0	-62.38	407.36	3.77	-58.61
C[NH+](C)CCCCCC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030365565	0	58	0.0	-69.51	435.92	5.04	-64.47
CN1CCN(CC(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030365572	0	55	0.0	-69.42	408.86	1.49	-67.93
C[NH+]1CCN(CC(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030365572	1	55	0.0	-69.42	408.86	1.49	-67.93
CC1CN(C)CC(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)O1	REAL300030365622	0	54	0.0	-73.61	396.81	2.68	-70.93
CC1C[N@H+](C)CC(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)O1	REAL300030365622	1	54	0.0	-83.96	396.62	2.66	-81.30
CC1C[N@@H+](C)CC(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)O1	REAL300030365622	1	54	0.0	-83.96	396.62	2.66	-81.30
C[N@@H+]1CCCCC1C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030365675	0	53	0.0	-62.48	389.11	3.48	-59.00
C[N@@H+]1CCC(=CC(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030365742	0	51	0.0	-76.50	387.76	3.56	-72.94
C[N@H+]1CCC(=CC(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030365742	1	51	0.0	-76.50	387.76	3.56	-72.94
O=C(CNC1=CC=[NH+]C=C1)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030365745	0	49	0.0	-68.05	385.53	1.27	-66.78
C[NH+](C)C1(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300030365799	0	56	0.0	-65.44	379.71	3.26	-62.18
CCC1CN(CC(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030365808	0	53	0.0	-74.20	402.52	3.84	-70.36
CCC1C[NH+](CC(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030365808	1	53	0.0	-74.20	402.52	3.84	-70.36
C[N@@H+]1CCC[C@H]1C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030365818	0	50	0.0	-66.96	368.33	2.53	-64.43
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030365908	0	53	0.0	-69.08	391.66	3.77	-65.31
C[NH+](C)CCC1(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030365917	0	56	0.0	-69.83	408.22	4.37	-65.46
C[N@@H+]1CC=CCC1CC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030365918	0	54	0.0	-64.35	395.36	4.13	-60.22
C[N@H+]1CC=CCC1CC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030365918	1	54	0.0	-63.08	396.17	4.03	-59.05
C[NH+](C)CCOCC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030365951	0	53	0.0	-66.67	404.94	3.20	-63.47
[NH2+]=C1SC=CN1CC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030365977	0	46	0.0	-64.04	377.09	2.15	-61.89
C[C@@H](OCC[NH+](C)C)C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030366013	0	56	0.0	-65.93	421.67	3.59	-62.34
C[N@@H+]1CCCC(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030366041	0	53	0.0	-70.52	378.32	3.57	-66.95
C[N@H+]1CCCC(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030366041	1	53	0.0	-70.52	378.32	3.57	-66.95
O=C(C[NH+]1CCCCCC1)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030366042	0	56	0.0	-66.76	401.00	4.01	-62.75
CN1C=C[N+](CC(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030366045	0	48	0.0	-63.72	380.30	5.57	-58.15
O=C(CN1CCC(O)CC1)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030366065	0	54	0.0	-68.86	401.92	0.59	-68.27
O=C(C[NH+]1CCC(O)CC1)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030366065	1	54	0.0	-68.86	401.92	0.59	-68.27
C[N@H+](CC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030366066	0	50	0.0	-65.48	379.22	3.40	-62.08
O=C(CC[N@H+]1CCC(F)C1)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030366069	0	53	0.0	-72.72	403.37	3.87	-68.85
CC(CC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030366089	0	55	0.0	-68.80	406.09	4.14	-64.66
CN1CCOCC1CC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030366108	0	54	0.0	-74.22	400.44	1.85	-72.37
C[N@@H+]1CCOCC1CC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030366108	1	54	0.0	-68.57	392.23	1.81	-66.76
C[N@H+]1CCOCC1CC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030366108	1	54	0.0	-68.57	392.23	1.81	-66.76
CC1=CC(N)=NC=C1C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030366147	0	49	0.0	-73.59	382.80	1.28	-72.31
CC1=CC(N)=[NH+]C=C1C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030366147	1	49	0.0	-73.59	382.80	1.28	-72.31
CC1(O)CC[N@H+](CC(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030366176	0	54	0.0	-67.54	406.00	0.40	-67.14
C[NH+]1CC(CC(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030366202	0	50	0.0	-68.73	380.35	2.94	-65.79
C[N@H+](CCO)CCC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030366227	0	53	0.0	-67.88	399.53	0.10	-67.78
C[N@@H+](CCO)CCC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030366227	1	53	0.0	-67.88	399.53	0.10	-67.78
C[N@@H+]1CCCCC1CC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030366243	0	56	0.0	-60.98	400.85	4.20	-56.78
C[N@H+]1CCCCC1CC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030366243	1	56	0.0	-60.98	400.85	4.20	-56.78
CC1CCN1CC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030366256	0	50	0.0	-66.18	381.15	3.11	-63.07
CC1CC[N@@H+]1CC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030366256	1	50	0.0	-70.71	375.63	2.82	-67.89
CC1CC[N@H+]1CC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030366256	1	50	0.0	-70.71	375.63	2.82	-67.89
C[NH+](C)CC=CC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030366262	0	50	0.0	-72.52	385.19	3.34	-69.18
CC1(C)CN(CC(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030366268	0	53	0.0	-73.09	400.17	3.57	-69.52
CC1(C)C[NH+](CC(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030366268	1	53	0.0	-73.09	400.17	3.57	-69.52
C[NH+](C)CCSCC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030366287	0	53	0.0	-72.34	415.96	4.08	-68.26
O=C(C[N@H+]1CCCC1CO)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030366304	0	54	0.0	-70.50	402.23	0.70	-69.80
CC[NH+](CC)CC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030366308	0	52	0.0	-63.87	380.43	3.15	-60.72
O=C(CN1CCC1)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030366317	0	47	0.0	-67.99	360.14	2.46	-65.53
O=C(C[NH+]1CCC1)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030366317	1	47	0.0	-67.99	360.14	2.46	-65.53
CC[NH+](CC)CCC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030366347	0	55	0.0	-67.09	407.02	4.04	-63.05
CC(C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1)N1CCC1	REAL300030366403	0	50	0.0	-73.16	367.89	2.70	-70.46
CC(C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030366403	1	50	0.0	-73.16	367.89	2.70	-70.46
CCC(CC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030366408	0	58	0.0	-62.77	424.29	4.75	-58.02
C[NH+](C)CC(C)(C)C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030366414	0	55	0.0	-61.28	380.89	3.22	-58.06
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030366448	0	53	0.0	-62.58	388.64	3.58	-59.00
C[NH+](C)CC(O)CC(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030366470	0	53	0.0	-71.76	401.66	1.14	-70.62
C=CCC(C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030366491	0	53	0.0	-63.37	387.65	3.62	-59.75
C[NH+]1CCC(C)(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030366503	0	56	0.0	-71.22	387.93	3.65	-67.57
C[NH+](C)CCSCC(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030366559	0	53	0.0	-80.89	413.73	3.65	-77.24
C[N@@H+]1CCCC1C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030366718	0	48	0.0	-68.96	372.45	3.16	-65.80
CN1CCOC(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030366742	0	49	0.0	-81.68	383.46	2.56	-79.12
C[N@@H+]1CCOC(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030366742	1	49	0.0	-82.38	383.45	2.56	-79.82
C[N@H+]1CCOC(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030366742	1	49	0.0	-82.38	383.45	2.56	-79.82
CC(C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCCCC1	REAL300030366898	0	57	0.0	-65.39	415.19	4.54	-60.85
CC(C)[N@@H+]1CCCCC1C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030366900	0	57	0.0	-66.16	419.48	4.58	-61.58
CC(C)[N@H+]1CCCCC1C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030366900	1	57	0.0	-63.49	413.00	4.66	-58.83
CC(C)[N@@H+]1CCCC1C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030366920	0	54	0.0	-63.42	403.82	4.06	-59.36
CC(C)[N@H+]1CCCC1C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030366920	1	54	0.0	-64.34	404.88	4.22	-60.12
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2CCCC[N@@H+]2C1	REAL300030366936	0	55	0.0	-72.12	413.54	4.87	-67.25
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2CCCC[N@H+]2C1	REAL300030366936	1	55	0.0	-68.81	413.48	4.66	-64.15
CC(C)C1=[NH+]C=CN1CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030366954	1	52	0.0	-64.35	411.49	4.73	-59.62
CC1=[NH+]C=CN1CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030366979	1	46	0.0	-65.92	375.28	3.62	-62.30
CC(C[NH+]1CCOCC1)C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030366980	0	55	0.0	-71.21	417.64	2.83	-68.38
O=C(CCC[NH+]1CCCCC1)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030366995	0	57	0.0	-69.67	430.89	5.21	-64.46
CC(C)(C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCCC1	REAL300030367009	0	57	0.0	-66.39	415.71	5.07	-61.32
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1C[NH+]2CCC1CC2	REAL300030367017	0	52	0.0	-73.56	387.21	3.81	-69.75
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCCC2CCC[N@@H+]21	REAL300030367052	0	55	0.0	-62.45	410.78	4.94	-57.51
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCCC2CCC[N@H+]21	REAL300030367052	1	55	0.0	-61.92	410.35	4.84	-57.08
C[C@@H]1[C@H](C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300030367062	0	51	0.0	-70.69	383.58	3.13	-67.56
C[C@@H]1[C@H](C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300030367062	1	51	0.0	-72.43	388.10	3.38	-69.05
CC[C@@H]1[C@@H](C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300030367066	0	54	0.0	-70.36	403.14	3.67	-66.69
CC[C@@H]1[C@@H](C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300030367066	1	54	0.0	-68.94	408.51	4.12	-64.82
CC[N@@H+]1CCOC(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030367075	1	52	0.0	-74.81	394.13	3.05	-71.76
CC[N@H+]1CCOC(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030367075	1	52	0.0	-80.62	401.28	3.20	-77.42
CC[NH+](CC)CC(F)C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030367114	0	53	0.0	-69.81	403.21	3.63	-66.18
CC1CCC(C)[NH+]1CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030367173	0	54	0.0	-65.08	403.60	4.04	-61.04
O=C(CCC[NH+]1CCCC1)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030367179	0	54	0.0	-69.85	416.19	4.63	-65.22
C#CC[NH+]1CCC(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030367183	0	53	0.0	-73.21	415.59	4.91	-68.30
O=C(CC[NH+]1CCCCC1)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030367184	0	54	0.0	-69.42	409.39	4.41	-65.01
CC[N@@H+]1CCCCC1C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030367188	0	54	0.0	-65.59	396.26	4.19	-61.40
CC[N@H+]1CCCCC1C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030367188	1	54	0.0	-68.41	396.17	4.08	-64.33
CC(C)C[N@@H+]1CCC(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030367200	0	57	0.0	-72.54	431.62	4.96	-67.58
CC(C)C[N@H+]1CCC(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030367200	1	57	0.0	-71.27	430.54	4.98	-66.29
C[NH+](C)C1(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300030367203	0	51	0.0	-70.53	383.25	3.47	-67.06
CC(C)[N@@H+]1CCCC1CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030367205	0	57	0.0	-65.11	415.86	4.60	-60.51
CC(C)[N@H+]1CCCC1CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030367205	1	57	0.0	-70.03	424.36	4.61	-65.42
CC(C)[C@@H](C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030367216	0	53	0.0	-66.43	394.22	4.32	-62.11
C[N@H+](CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300030367253	0	51	0.0	-67.08	392.45	4.08	-63.00
C[N@@H+](CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300030367253	1	51	0.0	-67.53	392.59	4.09	-63.44
CC(C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1C(C)CCC1C	REAL300030367297	0	57	0.0	-62.81	416.26	4.45	-58.36
C[N@@H+]1CCCC1CCC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030367353	0	54	0.0	-74.54	409.65	4.45	-70.09
C[N@H+]1CCCC1CCC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030367353	1	54	0.0	-71.45	408.04	4.10	-67.35
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CCC[NH+](CCC1)C2	REAL300030367360	0	55	0.0	-69.49	403.23	4.21	-65.28
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC2CCCC[N@@H+]21	REAL300030367363	0	55	0.0	-68.39	407.57	4.49	-63.90
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC2CCCC[N@H+]21	REAL300030367363	1	55	0.0	-63.22	413.61	4.95	-58.27
O=C(CCCC[NH+]1CCCC1)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030367378	0	57	0.0	-70.32	437.68	5.41	-64.91
C[NH+]1CCC(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030367389	0	51	0.0	-71.95	390.92	3.76	-68.19
C[NH+](C)CC1=CC(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=NO1	REAL300030367418	1	50	0.0	-77.54	403.92	2.97	-74.57
C[N@@H+]1CCCCC1C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030367442	1	51	0.0	-66.97	378.49	3.53	-63.44
C[N@H+]1CCCCC1C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030367442	1	51	0.0	-68.70	388.30	3.67	-65.03
CC(C)C[N@@H+]1CCCC1C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030367461	0	57	0.0	-67.08	419.92	5.27	-61.81
CC(C)C[N@H+]1CCCC1C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030367461	1	57	0.0	-69.24	425.02	4.63	-64.61
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN2C=[NH+]C=C2C=C1	REAL300030367546	0	46	0.0	-69.99	376.01	5.51	-64.48
CC1=[NH+]C=CN1CCCC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030367552	1	52	0.0	-66.98	417.33	5.01	-61.97
O=C(CC[NH+]1CCOCC1)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030367556	1	52	0.0	-73.19	401.63	2.10	-71.09
CC1=C[NH+]=CN1CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030367581	1	46	0.0	-68.03	374.55	4.30	-63.73
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CCC[NH+]1CCC2	REAL300030367613	0	52	0.0	-67.62	390.95	4.08	-63.54
C[NH+](C)C1CCCC(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030367633	0	57	0.0	-65.67	418.14	4.67	-61.00
C[N@@H+]1CCC(CC(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030367635	0	51	0.0	-73.86	393.07	3.68	-70.18
C[N@H+]1CCC(CC(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030367635	1	51	0.0	-74.12	391.92	3.70	-70.42
CN(C)C1=CC=[NH+]C=C1C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030367646	0	50	0.0	-73.79	396.73	2.83	-70.96
CCC(C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030367651	0	50	0.0	-65.74	375.86	3.01	-62.73
C[NH+](C)C1(CC(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCCC1	REAL300030367661	0	57	0.0	-70.84	409.67	4.43	-66.41
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC2=C[NH+]=CN2C=C1	REAL300030367695	1	46	0.0	-73.31	376.28	5.51	-67.80
C[NH+](C)CCCCC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030367740	0	53	0.0	-71.70	411.72	4.24	-67.46
CC(C)C(C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030367758	0	53	0.0	-66.61	394.89	4.19	-62.42
CCC[N@H+](C)CCC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030367760	0	53	0.0	-70.64	407.44	3.96	-66.68
CCC[N@@H+](C)CCC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030367760	1	53	0.0	-70.72	407.44	3.97	-66.75
CCC[N@H+](C)CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030367765	0	50	0.0	-69.24	385.59	3.50	-65.74
CCC[N@@H+](C)CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030367765	1	50	0.0	-69.33	385.59	3.50	-65.83
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CC[N@H+](C1)CCC2	REAL300030367785	0	52	0.0	-73.59	386.87	3.31	-70.28
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CC[N@@H+](C1)CCC2	REAL300030367785	1	52	0.0	-78.92	386.62	3.32	-75.60
C[N@@H+]1CCC[C@@H]1C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030367817	0	48	0.0	-67.33	366.00	2.66	-64.67
C[N@H+]1CCC[C@@H]1C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030367817	1	48	0.0	-68.88	371.06	3.19	-65.69
CCCCCC[N@H+](C)CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030367864	0	59	0.0	-70.37	450.08	5.84	-64.53
CCCCCC[N@@H+](C)CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030367864	1	59	0.0	-70.48	450.08	5.85	-64.63
CC[NH+](CC)C(C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(C)C	REAL300030367867	0	59	0.0	-63.58	417.27	4.19	-59.39
CC[NH+](CC)CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030367875	0	50	0.0	-66.94	381.77	3.35	-63.59
CCC[N@@H+]1CCCC(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030367906	0	57	0.0	-66.21	423.56	5.33	-60.88
CCC[N@H+]1CCCC(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030367906	1	57	0.0	-66.16	423.57	5.32	-60.84
CC(C)[N@@H+]1CCOC(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030367920	0	55	0.0	-72.87	410.94	3.57	-69.30
CC(C)[N@H+]1CCOC(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030367920	1	55	0.0	-78.50	418.02	3.73	-74.77
CC1CC[NH+](CC(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030367947	0	54	0.0	-68.87	408.36	4.48	-64.39
C[NH+]1CCC(OCC(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030367970	0	55	0.0	-75.03	426.31	4.19	-70.84
C[NH+](C)CC1(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030367980	0	51	0.0	-71.44	397.97	3.80	-67.64
CC(C)[NH+]1CCC(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030368043	0	57	0.0	-69.92	424.77	4.86	-65.06
C[NH+]1CCC(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030368059	0	51	0.0	-71.95	390.92	3.76	-68.19
CC(C)[C@H](C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030368077	0	53	0.0	-67.19	390.62	3.56	-63.63
CCC(C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](CC)CC	REAL300030368107	0	56	0.0	-62.66	409.68	4.49	-58.17
CC[N@H+](C)CCC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368157	0	50	0.0	-69.98	385.94	3.22	-66.76
CC[N@@H+](C)CCC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368157	1	50	0.0	-70.07	385.94	3.20	-66.87
CC1CCC[N@@H+]1CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368206	0	51	0.0	-65.43	384.55	3.39	-62.04
CC1CCC[N@H+]1CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368206	1	51	0.0	-68.69	384.78	3.49	-65.20
CC1CC[N@H+](CC(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030368208	0	51	0.0	-67.95	391.91	3.74	-64.21
CC1CC[N@@H+](CC(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030368208	1	51	0.0	-71.50	391.65	3.85	-67.65
CC1(C)CC[N@H+](CC(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030368212	0	54	0.0	-67.81	410.86	4.26	-63.55
CC1(C)CC[N@@H+](CC(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030368212	1	54	0.0	-68.27	411.59	4.22	-64.05
C[N@H+](CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300030368213	0	56	0.0	-68.35	416.21	4.54	-63.81
C[N@@H+](CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300030368213	1	56	0.0	-68.54	416.27	4.58	-63.96
CC[C@@H](C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030368221	0	50	0.0	-66.94	380.27	3.67	-63.27
C[NH+]1CCC(O)(CC(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030368363	0	55	0.0	-71.17	416.20	2.20	-68.97
C[NH+](C)CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368374	0	44	0.0	-69.30	345.84	2.00	-67.30
O=C(C[NH+]1CCC(CO)CC1)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368378	1	55	0.0	-70.59	419.79	1.27	-69.32
O=C(C[NH+]1CCCCCC1)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368379	0	54	0.0	-68.32	397.44	4.15	-64.17
CN1C=C[N+](CC(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030368383	0	46	0.0	-67.01	377.08	5.51	-61.50
C[N@@H+]1CCCC(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030368389	0	51	0.0	-72.52	390.62	3.73	-68.79
C[N@H+]1CCCC(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030368389	1	51	0.0	-66.25	384.40	3.93	-62.32
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC[N@@H+]1C1CC1	REAL300030368394	0	52	0.0	-64.07	403.85	4.61	-59.46
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC[N@H+]1C1CC1	REAL300030368394	1	52	0.0	-66.62	396.39	3.95	-62.67
CC(C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC1	REAL300030368418	1	48	0.0	-67.34	376.25	3.05	-64.29
CCC(CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300030368422	0	56	0.0	-71.49	417.10	4.52	-66.97
C[NH+](C)CC(C)(C)C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368429	0	53	0.0	-67.11	392.92	3.69	-63.42
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CC(C1)C[N@@H+]2C1CC1	REAL300030368444	1	53	0.0	-65.34	396.11	4.30	-61.04
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CC(C1)C[N@H+]2C1CC1	REAL300030368444	1	53	0.0	-67.03	402.68	5.35	-61.68
C[N@H+](CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300030368453	0	48	0.0	-66.06	375.11	3.41	-62.65
C[N@@H+](CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300030368453	1	48	0.0	-65.93	375.12	3.41	-62.52
CC(C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)N1CC[NH+](C)CC1	REAL300030368454	1	56	0.0	-68.48	416.78	1.81	-66.67
C[NH+]1CC(CC(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030368472	0	48	0.0	-70.60	377.80	2.92	-67.68
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC[N@@H+]1C1CCCC1	REAL300030368476	0	55	0.0	-70.59	409.76	4.24	-66.35
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC[N@H+]1C1CCCC1	REAL300030368476	1	55	0.0	-68.22	416.63	4.76	-63.46
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368484	1	54	0.0	-65.70	391.61	3.15	-62.55
CC(C)(C)[N@H+]1CCC1C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368484	1	54	0.0	-65.53	389.48	3.44	-62.09
C[C@@H](C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030368495	0	47	0.0	-66.67	363.50	2.41	-64.26
CCC1CCC[N@H+](CC(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030368527	0	57	0.0	-70.85	419.54	4.76	-66.09
CCC1CCC[N@@H+](CC(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030368527	1	57	0.0	-69.20	420.36	5.17	-64.03
C[NH+](C)CC1=CC=C(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300030368534	0	52	0.0	-76.78	412.69	3.17	-73.61
[NH2+]=C1SC=CN1CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368576	0	44	0.0	-65.09	373.43	2.27	-62.82
C[N@H+](CCO)CCC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368586	0	51	0.0	-70.18	396.29	0.00	-70.18
C[N@@H+](CCO)CCC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368586	1	51	0.0	-69.50	396.07	-0.01	-69.51
C[C@@H](C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030368587	0	47	0.0	-66.67	363.50	2.41	-64.26
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368591	1	51	0.0	-66.58	378.70	3.41	-63.17
C[N@H+]1CCCC[C@@H]1C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368591	1	51	0.0	-68.38	387.82	3.60	-64.78
CC1CN2CC[N@@H+]1CC2C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368599	0	54	0.0	-76.32	398.49	1.00	-75.32
CC1CN2CC[N@H+]1CC2C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368599	1	54	0.0	-76.75	398.57	0.99	-75.76
C[N@@H+]1CCC(=CC(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030368686	0	49	0.0	-75.35	384.93	3.65	-71.70
C[N@H+]1CCC(=CC(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030368686	1	49	0.0	-75.32	384.94	3.65	-71.67
C[NH+](C)CCOCC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368717	0	51	0.0	-69.73	402.26	3.09	-66.64
CCCCC[N@H+](C)CCC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368722	0	59	0.0	-71.51	450.43	5.52	-65.99
CCCCC[N@@H+](C)CCC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368722	1	59	0.0	-71.60	450.43	5.53	-66.07
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300030368731	0	55	0.0	-73.17	425.06	4.02	-69.15
C=CCC(C)(C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030368738	0	54	0.0	-70.67	400.72	4.33	-66.34
C[S+](C)CCC(O)C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368742	0	50	0.0	-73.18	411.21	1.77	-71.41
CN1CC(O)CC1(C)C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368767	0	52	0.0	-77.03	393.60	0.46	-76.57
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368767	1	52	0.0	-76.32	392.82	0.54	-75.78
C[N@H+]1CC(O)CC1(C)C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368767	1	52	0.0	-76.32	392.82	0.54	-75.78
CN1CC[N@H+](C)CC(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030368777	0	56	0.0	-72.05	415.06	1.69	-70.36
CN1CC[N@@H+](C)CC(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030368777	1	56	0.0	-72.05	415.06	1.69	-70.36
CC(C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)N1CCCC(O)C1	REAL300030368778	0	55	0.0	-65.45	414.50	1.11	-64.34
CC(C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[N@@H+]1CCCC(O)C1	REAL300030368778	1	55	0.0	-67.27	415.22	1.20	-66.07
CC(C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[N@H+]1CCCC(O)C1	REAL300030368778	1	55	0.0	-67.27	415.22	1.20	-66.07
O=C(CN1CCC(CO)CC1)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368786	0	55	0.0	-70.59	419.79	1.27	-69.32
O=C(C[NH+]1CCC(CO)CC1)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368786	1	55	0.0	-70.59	419.79	1.27	-69.32
C[N@@H+]1CCCC(O)(CC(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030368795	0	55	0.0	-71.68	403.57	2.26	-69.42
C[N@H+]1CCCC(O)(CC(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030368795	1	55	0.0	-71.68	403.57	2.26	-69.42
CN(CCO)CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368821	0	48	0.0	-69.99	374.44	-0.47	-70.46
C[N@H+](CCO)CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368821	1	48	0.0	-69.12	374.06	-0.45	-69.57
C[N@@H+](CCO)CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368821	1	48	0.0	-69.12	374.06	-0.45	-69.57
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1C[N@@H+]2CCN1CCC2	REAL300030368842	0	54	0.0	-80.03	392.75	1.93	-78.10
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1C[N@H+]2CCN1CCC2	REAL300030368842	1	54	0.0	-80.03	392.75	1.93	-78.10
CC[N@@H+]1CCCC(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030368847	0	54	0.0	-70.89	408.32	4.39	-66.50
CC[N@H+]1CCCC(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030368847	1	54	0.0	-65.82	402.08	4.58	-61.24
CC(CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300030368849	0	53	0.0	-71.24	403.54	4.10	-67.14
CC[N@H+](C)CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368856	0	47	0.0	-68.84	364.09	2.76	-66.08
CC[N@@H+](C)CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368856	1	47	0.0	-68.91	364.09	2.76	-66.15
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CCC[N@@H+]1CCCC2	REAL300030368875	0	55	0.0	-62.94	400.13	4.57	-58.37
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CCC[N@H+]1CCCC2	REAL300030368875	1	55	0.0	-63.52	401.10	4.50	-59.02
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CCC[N@@H+]1CC=CC2	REAL300030368880	0	53	0.0	-62.96	393.52	4.31	-58.65
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CCC[N@H+]1CC=CC2	REAL300030368880	1	53	0.0	-66.99	390.79	5.08	-61.91
CC[N@H+](CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300030368899	0	51	0.0	-65.30	394.44	4.03	-61.27
CC[N@@H+](CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300030368899	1	51	0.0	-65.98	391.73	3.94	-62.04
CC[NH+](CC)CCC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368912	0	53	0.0	-69.23	403.97	4.02	-65.21
C[NH+]1CCC(=CC(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030368923	0	52	0.0	-71.82	400.05	4.43	-67.39
CC1(O)CC[N@H+](CC(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030368956	1	52	0.0	-67.94	401.86	0.42	-67.52
CC1(O)CC[N@@H+](CC(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030368956	1	52	0.0	-71.30	402.06	0.51	-70.79
C[NH+](C)CC=CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368963	0	48	0.0	-73.59	383.58	3.34	-70.25
CC(OCC[NH+](C)C)C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368981	0	54	0.0	-67.80	422.05	3.81	-63.99
C[NH+](C)CCOCCC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368988	0	54	0.0	-68.76	422.49	2.80	-65.96
COCC[N@H+](C)CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368989	1	51	0.0	-68.88	396.32	1.96	-66.92
COCC[N@@H+](C)CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368989	1	51	0.0	-70.09	396.69	1.93	-68.16
C[NH+](C)C1(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCCC1	REAL300030369016	0	54	0.0	-71.26	398.19	4.73	-66.53
CC(CCC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030369019	0	53	0.0	-69.30	402.49	3.81	-65.49
CC(C)[N@@H+]1CCCC(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030369033	0	57	0.0	-65.22	418.76	5.10	-60.12
CC(C)[N@H+]1CCCC(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030369033	1	57	0.0	-65.17	418.70	5.10	-60.07
O=C(C[N@H+]1CCCC1CO)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369044	1	52	0.0	-68.24	395.84	0.18	-68.06
O=C(C[N@@H+]1CCCC1CO)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369044	1	52	0.0	-71.00	398.96	0.59	-70.41
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2CCCC[N@@H+]2C1	REAL300030369066	0	55	0.0	-72.12	413.54	4.87	-67.25
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2CCCC[N@H+]2C1	REAL300030369066	1	55	0.0	-68.81	413.48	4.66	-64.15
C[NH+]1CCC(C)(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030369072	0	54	0.0	-68.86	403.09	4.09	-64.77
C[NH+](C)CC1=CNC(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030369078	0	52	0.0	-73.51	412.23	3.33	-70.18
CC(C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC(O)CC1	REAL300030369092	1	55	0.0	-69.09	416.92	0.99	-68.10
C=CCC(C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030369098	0	51	0.0	-65.91	389.12	3.49	-62.42
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369108	0	54	0.0	-68.39	412.06	4.24	-64.15
C[N@H+]1CC(C)(C)CC1C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369108	1	54	0.0	-68.94	411.81	4.33	-64.61
C[NH+](C)CCCCCC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369111	0	56	0.0	-71.27	433.22	5.02	-66.25
O=C(C[NH+]1CC2CC2C1)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369119	1	49	0.0	-69.02	381.69	3.98	-65.04
CC1C[N@@H+]2CCN1C(C(=O)NCC1(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300030369144	0	54	0.0	-72.48	399.01	1.13	-71.35
CC1C[N@H+]2CCN1C(C(=O)NCC1(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300030369144	1	54	0.0	-77.68	399.20	1.12	-76.56
CCCC(C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030369145	0	53	0.0	-66.49	397.36	3.79	-62.70
C[NH+](C)C(C)(C)C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369149	0	50	0.0	-69.77	374.11	2.95	-66.82
C[N@@H+]1CCCCC1C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369183	1	51	0.0	-66.97	378.49	3.53	-63.44
C[N@H+]1CCCCC1C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369183	1	51	0.0	-68.70	388.30	3.67	-65.03
C[N@H+]1CC=C(CC(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030369215	0	52	0.0	-69.06	404.99	4.33	-64.73
C[N@@H+]1CC=C(CC(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030369215	1	52	0.0	-67.76	404.98	4.33	-63.43
O=C(CC1([NH+]2CCCC2)CC1)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369223	0	55	0.0	-65.70	410.98	4.71	-60.99
C[NH+](C)CC1=CC=C(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300030369262	1	51	0.0	-74.30	409.34	3.71	-70.59
O=C(C=CC[NH+]1CCCC1)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369276	0	52	0.0	-72.28	408.66	4.51	-67.77
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC[NH+](C2CC2)CC1	REAL300030369295	0	55	0.0	-69.45	415.77	4.96	-64.49
C[NH+](C)C1(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030369313	0	48	0.0	-74.06	370.12	2.90	-71.16
O=C(CC[NH+]1CCCC1)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369315	0	51	0.0	-69.89	393.44	3.68	-66.21
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1C[NH+]2CCN1CC2	REAL300030369348	0	51	0.0	-72.98	382.76	0.55	-72.43
C[N@@H+]1CC2CC1(C(=O)NCC1(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300030369357	1	49	0.0	-68.75	378.26	3.14	-65.61
C[N@H+]1CC2CC1(C(=O)NCC1(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300030369357	1	49	0.0	-73.93	376.55	3.14	-70.79
O=C(C[N@@H+]1CC2CCC1C2)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369368	0	52	0.0	-69.15	389.77	3.91	-65.24
O=C(C[N@H+]1CC2CCC1C2)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369368	1	52	0.0	-66.31	390.38	3.89	-62.42
O=C(C=C1C[NH+]2CCC1CC2)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369405	0	53	0.0	-67.20	402.50	4.48	-62.72
CC[NH+]1CCN(CC(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030369443	0	56	0.0	-68.11	423.32	2.30	-65.81
CC(C[NH+](C)C)C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369457	0	50	0.0	-70.14	384.76	3.36	-66.78
C[N@@H+]1CCCCC1CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369520	0	54	0.0	-65.81	397.84	4.15	-61.66
C[N@H+]1CCCCC1CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369520	1	54	0.0	-65.60	397.83	4.16	-61.44
CC(C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CC(C)C1	REAL300030369534	1	51	0.0	-66.00	395.04	3.68	-62.32
C[NH+](C)CC(O)CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369540	0	51	0.0	-73.89	399.06	1.10	-72.79
CC1C[N@H+](C)CC(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300030369564	1	52	0.0	-82.91	404.67	3.28	-79.63
CC1C[N@@H+](C)CC(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300030369564	1	52	0.0	-82.30	404.70	3.28	-79.02
O=C(CC[NH+]1CCC(O)CC1)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369572	0	55	0.0	-73.29	420.48	1.05	-72.24
CCC[N@@H+]1CCCCC1C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369574	0	57	0.0	-65.99	417.72	4.92	-61.07
CCC[N@H+]1CCCCC1C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369574	1	57	0.0	-67.96	427.48	5.07	-62.89
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030369634	0	51	0.0	-72.73	395.80	3.83	-68.90
CC(CC[NH+](C)C)C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369641	0	53	0.0	-70.71	406.40	3.97	-66.74
C[N@H+](CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CCC[C@H]1O	REAL300030369659	0	55	0.0	-64.81	416.58	1.39	-63.42
C[N@@H+](CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CCC[C@H]1O	REAL300030369659	1	55	0.0	-70.96	417.34	1.31	-69.65
C[NH+]1CCN(CC(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030369667	1	53	0.0	-69.81	405.59	1.63	-68.18
CC[NH+]1CCN(CC(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030369675	0	56	0.0	-68.11	423.32	2.30	-65.81
NC(=[NH2+])SCC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369696	0	42	0.0	-70.22	354.37	-1.13	-71.35
CC[N@@H+]1CCOCC1CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369723	0	55	0.0	-75.57	413.92	2.45	-73.12
C[NH+](C)C1CCC(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030369736	0	57	0.0	-71.67	424.67	4.85	-66.82
C[NH+](C)CCC1(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030369737	0	54	0.0	-70.03	419.14	4.40	-65.63
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030369738	0	57	0.0	-68.56	418.38	4.80	-63.76
C[N@@H+]1CC=CCC1CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369739	0	52	0.0	-66.10	392.26	4.09	-62.01
C[N@H+]1CC=CCC1CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369739	1	52	0.0	-66.10	392.26	4.09	-62.01
C[C@@H](OCC[NH+](C)C)C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369760	0	54	0.0	-68.53	421.61	3.84	-64.69
C[NH+]1C2CCC1CC(C(=O)NCC1(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300030369784	0	55	0.0	-67.35	388.97	4.53	-62.82
CCC1C[NH+](CC(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030369876	1	51	0.0	-69.57	398.48	3.86	-65.71
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1([NH+]2CCCC2)CCC1	REAL300030369878	0	55	0.0	-63.49	407.84	4.87	-58.62
C[N@@H+]1CCC[C@H]1C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369885	0	48	0.0	-69.07	372.04	3.12	-65.95
C[N@H+]1CCC[C@H]1C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369885	1	48	0.0	-68.51	366.02	2.50	-66.01
O=C(CC[N@H+]1CCC(F)C1)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369892	0	51	0.0	-74.27	400.21	3.78	-70.49
O=C(CC[N@@H+]1CCC(F)C1)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369892	1	51	0.0	-74.11	399.89	3.76	-70.35
COC1C[N@H+](C)C(C)(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030369900	1	55	0.0	-70.40	414.03	2.88	-67.52
COC1C[N@@H+](C)C(C)(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030369900	1	55	0.0	-72.81	415.85	2.77	-70.04
O=C(CC[NH+]1CCCCCC1)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369907	0	57	0.0	-71.13	420.20	4.76	-66.37
O=C(C[NH+]1CCCCC1)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369909	1	51	0.0	-68.52	388.08	3.96	-64.56
CC1C(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300030369918	0	51	0.0	-72.29	388.27	3.52	-68.77
CC1C(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300030369918	1	51	0.0	-72.27	392.60	3.51	-68.76
C[N@@H+]1CCCCC1CCC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369920	0	57	0.0	-70.95	427.55	5.04	-65.91
C[N@H+]1CCCCC1CCC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369920	1	57	0.0	-70.92	427.52	5.03	-65.89
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC[N@@H+]2CCOCC12	REAL300030369942	0	53	0.0	-76.18	405.63	2.40	-73.78
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC[N@H+]2CCOCC12	REAL300030369942	1	53	0.0	-72.63	405.30	2.40	-70.23
C[N@@H+]1CCOCC1CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369959	1	52	0.0	-67.03	389.51	1.78	-65.25
C[N@H+]1CCOCC1CC(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369959	1	52	0.0	-77.85	396.08	1.81	-76.04
CC1=C(C)[NH+]=C(CCC(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300030369966	1	52	0.0	-64.27	416.08	3.29	-60.98
C[N@@H+]1CCCC1C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030370135	0	48	0.0	-68.56	367.98	2.74	-65.82
C[N@H+]1CCCC1C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030370135	1	48	0.0	-68.05	367.43	2.76	-65.29
C[N@@H+]1CCOC(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030370161	1	49	0.0	-71.49	374.87	2.31	-69.18
C[N@H+]1CCOC(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030370161	1	49	0.0	-72.80	373.99	2.31	-70.49
CC1=[NH+]C=CN1CCCC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030370318	1	52	0.0	-67.76	419.92	5.16	-62.60
O=C(CC[NH+]1CCOCC1)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030370322	1	52	0.0	-74.30	404.22	2.28	-72.02
O=C(NCC1(F)CCN(C(=O)C23CCC[NH+]2CCC3)CC1)C1=CC(=O)[N-]O1	REAL300030370342	0	52	0.0	-73.36	380.07	3.69	-69.67
O=C(NCC1(F)CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC1)C1=CC(=O)[N-]O1	REAL300030370350	1	46	0.0	-77.66	383.92	5.65	-72.01
C[NH+](C)C1CCCC(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030370398	0	57	0.0	-70.29	426.46	4.90	-65.39
C[N@@H+]1CCC(CC(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030370400	0	51	0.0	-72.35	395.39	3.88	-68.47
C[N@H+]1CCC(CC(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030370400	1	51	0.0	-72.28	395.38	3.89	-68.39
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030370411	0	50	0.0	-79.26	399.33	2.18	-77.08
CCC(C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030370416	0	50	0.0	-67.69	378.67	3.26	-64.43
C[NH+](C)CCCCC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030370468	0	53	0.0	-71.95	414.34	4.42	-67.53
CC(C)C(C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030370488	0	53	0.0	-67.69	388.97	3.64	-64.05
CCC[N@H+](C)CCC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030370490	0	53	0.0	-72.20	410.57	4.24	-67.96
CCC[N@@H+](C)CCC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030370490	1	53	0.0	-72.19	410.57	4.23	-67.96
CCC[N@H+](C)CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030370495	0	50	0.0	-70.33	388.48	3.66	-66.67
CCC[N@@H+](C)CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030370495	1	50	0.0	-73.95	388.48	3.66	-70.29
O=C(NCC1(F)CCN(C(=O)C23CC[N@H+](C2)CCC3)CC1)C1=CC(=O)[N-]O1	REAL300030370515	0	52	0.0	-70.92	383.31	3.11	-67.81
O=C(NCC1(F)CCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1)C1=CC(=O)[N-]O1	REAL300030370515	1	52	0.0	-70.69	382.08	3.08	-67.61
CCCCCC[N@H+](C)CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030370538	0	59	0.0	-71.58	452.97	6.00	-65.58
CCCCCC[N@@H+](C)CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030370538	1	59	0.0	-75.23	452.97	6.00	-69.23
CC[NH+](CC)C(C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1)C(C)C	REAL300030370541	0	59	0.0	-64.65	423.48	4.95	-59.70
CC1CC[NH+](CC(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030370570	0	54	0.0	-70.46	412.09	4.73	-65.73
C[NH+]1CCC(OCC(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030370593	0	55	0.0	-75.13	428.89	4.40	-70.73
O=C(NCC1(F)CCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC1)C1=CC(=O)[N-]O1	REAL300030370632	0	55	0.0	-69.85	412.45	4.75	-65.10
O=C(NCC1(F)CCN(C(=O)C2CC3CCCC[N@H+]3C2)CC1)C1=CC(=O)[N-]O1	REAL300030370632	1	55	0.0	-74.70	415.84	4.88	-69.82
C[NH+](C)CC1(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030370641	0	51	0.0	-69.48	398.11	3.82	-65.66
CC(C)[NH+]1CCC(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030370651	0	57	0.0	-70.40	423.77	4.78	-65.62
CC[N@H+](C)CCC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030370667	0	50	0.0	-71.51	389.07	3.51	-68.00
CC[N@@H+](C)CCC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030370667	1	50	0.0	-71.42	389.06	3.51	-67.91
CC(C)(C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCCC1	REAL300030370688	0	57	0.0	-64.94	412.06	4.77	-60.17
O=C(NCC1(F)CCN(C(=O)C2C[NH+]3CCC2CC3)CC1)C1=CC(=O)[N-]O1	REAL300030370696	0	52	0.0	-74.20	385.13	3.73	-70.47
C[NH+]1CCC(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030370759	0	51	0.0	-73.14	393.60	3.81	-69.33
CC(C)[C@H](C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030370777	0	53	0.0	-68.18	391.80	3.77	-64.41
CC[NH+](CC)CC(F)C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030370860	0	53	0.0	-68.82	407.04	3.97	-64.85
CC(C)C[N@@H+]1CCC(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030370888	0	57	0.0	-69.94	430.29	5.05	-64.89
CC(C)C[N@H+]1CCC(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030370888	1	57	0.0	-69.91	429.81	5.09	-64.82
C[NH+](C)C1(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300030370891	0	51	0.0	-69.51	373.28	3.11	-66.40
CCC(C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](CC)CC	REAL300030370921	0	56	0.0	-63.54	411.93	4.43	-59.11
CC1CCC[N@@H+]1CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030370938	0	51	0.0	-66.40	387.65	3.62	-62.78
CC1CCC[N@H+]1CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030370938	1	51	0.0	-66.99	393.88	3.91	-63.08
CC(C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCCCC1	REAL300030370986	0	57	0.0	-65.22	413.39	4.60	-60.62
CC(C)[N@@H+]1CCCCC1C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030370988	0	57	0.0	-63.96	411.85	4.44	-59.52
CC(C)[N@H+]1CCCCC1C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030370988	1	57	0.0	-62.90	420.59	4.73	-58.17
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030371008	0	54	0.0	-66.02	395.73	4.45	-61.57
CC(C)[N@H+]1CCCC1C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030371008	1	54	0.0	-64.72	404.35	4.13	-60.59
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030371014	0	57	0.0	-63.43	419.41	4.41	-59.02
CC(C)[N@H+]1CCCC1CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030371014	1	57	0.0	-67.84	428.31	4.92	-62.92
CC(C)[C@@H](C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030371025	0	53	0.0	-67.48	388.06	3.74	-63.74
CC1CC[N@H+](CC(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030371043	0	51	0.0	-69.00	394.30	3.91	-65.09
CC1CC[N@@H+](CC(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030371043	1	51	0.0	-69.15	394.14	3.98	-65.17
CC1(C)CC[N@H+](CC(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030371047	0	54	0.0	-69.26	414.16	4.47	-64.79
CC1(C)CC[N@@H+](CC(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030371047	1	54	0.0	-69.19	414.52	4.49	-64.70
C[N@H+](CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300030371048	0	56	0.0	-70.08	417.08	4.65	-65.43
C[N@@H+](CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300030371048	1	56	0.0	-73.60	419.01	4.78	-68.82
CC[C@@H](C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030371056	0	50	0.0	-66.28	373.29	3.05	-63.23
CC1=[NH+]C=CN1CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030371226	1	46	0.0	-70.11	378.64	3.85	-66.26
CC(C[NH+]1CCOCC1)C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030371227	0	55	0.0	-77.17	419.82	2.80	-74.37
O=C(CCC[NH+]1CCCCC1)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030371242	0	57	0.0	-70.79	434.47	5.51	-65.28
C[NH+](C)CC1=CC(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)=NO1	REAL300030371254	1	50	0.0	-76.96	404.89	3.54	-73.42
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030371283	1	52	0.0	-65.29	415.00	4.99	-60.30
O=C(NCC1(F)CCN(C(=O)C2CCCC3CCC[N@@H+]32)CC1)C1=CC(=O)[N-]O1	REAL300030371311	0	55	0.0	-62.87	413.60	4.96	-57.91
O=C(NCC1(F)CCN(C(=O)C2CCCC3CCC[N@H+]32)CC1)C1=CC(=O)[N-]O1	REAL300030371311	1	55	0.0	-63.07	413.82	4.97	-58.10
CC[N@@H+]1CCOC(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030371325	1	52	0.0	-76.55	399.57	3.15	-73.40
CC[N@H+]1CCOC(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030371325	1	52	0.0	-76.25	399.58	3.12	-73.13
O=C(NCC1(F)CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC1)C1=CC(=O)[N-]O1	REAL300030371365	0	46	0.0	-69.87	378.23	5.42	-64.45
CC1=C[NH+]=CN1CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030371370	1	46	0.0	-72.52	379.00	4.59	-67.93
C[C@@H]1[C@H](C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300030371379	0	51	0.0	-71.47	382.73	3.47	-68.00
C[C@@H]1[C@H](C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300030371379	1	51	0.0	-70.32	388.52	3.94	-66.38
CC[C@@H]1[C@@H](C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300030371383	0	54	0.0	-75.20	401.73	3.77	-71.43
CC[C@@H]1[C@@H](C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300030371383	1	54	0.0	-68.82	406.24	4.23	-64.59
CC1CCC(C)[NH+]1CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030371394	0	54	0.0	-65.40	405.84	4.12	-61.28
O=C(CCC[NH+]1CCCC1)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030371400	0	54	0.0	-70.63	417.20	4.70	-65.93
C#CC[NH+]1CCC(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030371405	0	53	0.0	-75.02	418.77	5.01	-70.01
O=C(CC[NH+]1CCCCC1)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030371406	0	54	0.0	-70.95	412.99	4.71	-66.24
CC[N@@H+]1CCCCC1C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030371411	0	54	0.0	-64.46	406.40	4.40	-60.06
CC[N@H+]1CCCCC1C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030371411	1	54	0.0	-66.08	396.41	4.00	-62.08
C[NH+](C)C1(CC(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CCCC1	REAL300030371444	0	57	0.0	-71.90	412.87	4.71	-67.19
C[N@H+](CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300030371565	0	51	0.0	-68.02	395.35	4.23	-63.79
C[N@@H+](CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300030371565	1	51	0.0	-68.23	395.49	4.23	-64.00
CC(C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1C(C)CCC1C	REAL300030371582	0	57	0.0	-64.22	406.13	3.92	-60.30
O=C(CCCC[NH+]1CCCC1)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030371594	0	57	0.0	-70.87	439.57	5.54	-65.33
C[NH+]1CCC(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030371605	0	51	0.0	-73.14	393.60	3.81	-69.33
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030371640	0	48	0.0	-68.40	367.37	2.79	-65.61
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030371640	1	48	0.0	-66.40	371.17	3.11	-63.29
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030371661	1	50	0.0	-66.14	394.07	3.98	-62.16
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030371661	1	50	0.0	-67.51	397.71	4.34	-63.17
C[N@@H+]1CCCC1CCC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030371666	0	54	0.0	-72.00	416.33	4.77	-67.23
C[N@H+]1CCCC1CCC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030371666	1	54	0.0	-69.54	410.90	4.30	-65.24
O=C(NCC1(F)CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1)C1=CC(=O)[N-]O1	REAL300030371673	0	55	0.0	-73.86	397.51	3.91	-69.95
O=C(NCC1(F)CCN(C(=O)C2CCC3CCCC[N@@H+]32)CC1)C1=CC(=O)[N-]O1	REAL300030371676	0	55	0.0	-65.13	408.64	4.71	-60.42
O=C(NCC1(F)CCN(C(=O)C2CCC3CCCC[N@H+]32)CC1)C1=CC(=O)[N-]O1	REAL300030371676	1	55	0.0	-64.09	412.81	4.98	-59.11
CCC[N@@H+]1CCCC(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030371738	0	57	0.0	-66.70	423.22	5.23	-61.47
CCC[N@H+]1CCCC(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030371738	1	57	0.0	-74.10	432.13	5.17	-68.93
CC(C)[N@@H+]1CCOC(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030371752	1	55	0.0	-68.52	409.44	3.47	-65.05
CC(C)[N@H+]1CCOC(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030371752	1	55	0.0	-79.75	417.51	3.67	-76.08
C[N@@H+]1CCCCC1C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030371773	0	51	0.0	-65.82	389.32	3.82	-62.00
C[N@H+]1CCCCC1C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030371773	1	51	0.0	-68.33	381.36	3.46	-64.87
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030371793	0	57	0.0	-66.22	429.32	5.12	-61.10
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030371793	1	57	0.0	-66.22	426.38	4.87	-61.35
O=C(C[NH+]1CCC(CO)CC1)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030371806	0	55	0.0	-71.87	422.93	1.41	-70.46
CC1C(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300030371847	0	51	0.0	-73.94	388.40	3.35	-70.59
CC1C(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300030371847	1	51	0.0	-71.97	391.34	3.48	-68.49
C[N@@H+]1CCCCC1CCC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030371849	0	57	0.0	-72.84	430.02	5.21	-67.63
C[N@H+]1CCCCC1CCC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030371849	1	57	0.0	-69.08	430.28	5.21	-63.87
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030371927	0	54	0.0	-66.57	389.15	3.35	-63.22
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030371927	1	54	0.0	-66.21	390.32	3.16	-63.05
C[C@@H](C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030371945	0	47	0.0	-67.87	365.61	2.65	-65.22
C=CCC(C)(C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030371959	0	54	0.0	-63.12	394.68	3.69	-59.43
O=C(CC[NH+]1CCCC1)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030371979	0	51	0.0	-71.17	397.58	4.01	-67.16
C[N@H+](CCO)CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030371989	1	48	0.0	-74.39	377.33	-0.32	-74.71
C[N@@H+](CCO)CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030371989	1	48	0.0	-70.27	377.11	-0.32	-70.59
O=C(NCC1(F)CCN(C(=O)C2C[N@@H+]3CCN2CCC3)CC1)C1=CC(=O)[N-]O1	REAL300030372022	0	54	0.0	-74.69	394.67	1.46	-73.23
O=C(NCC1(F)CCN(C(=O)C2C[N@H+]3CCN2CCC3)CC1)C1=CC(=O)[N-]O1	REAL300030372022	1	54	0.0	-74.46	396.28	1.91	-72.55
C[N@H+]1CC=C(CC(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030372068	0	52	0.0	-69.72	408.12	4.60	-65.12
C[N@@H+]1CC=C(CC(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030372068	1	52	0.0	-68.35	408.12	4.61	-63.74
C[S+](C)CCC(O)C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372082	0	50	0.0	-72.85	409.91	1.66	-71.19
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372100	0	52	0.0	-69.19	388.85	-0.10	-69.29
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372100	1	52	0.0	-67.99	389.89	-0.39	-68.38
CN1CC[N@H+](C)CC(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030372110	0	56	0.0	-67.75	415.37	2.20	-65.55
CN1CC[N@@H+](C)CC(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030372110	1	56	0.0	-74.66	417.34	1.55	-73.11
CC(C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[N@@H+]1CCCC(O)C1	REAL300030372111	0	55	0.0	-67.54	416.14	1.27	-66.27
CC(C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[N@H+]1CCCC(O)C1	REAL300030372111	1	55	0.0	-66.46	416.10	1.26	-65.20
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030372139	0	55	0.0	-66.74	409.48	2.41	-64.33
C[N@H+]1CCCC(O)(CC(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030372139	1	55	0.0	-69.47	406.68	2.51	-66.96
CC1C[NH+](CC(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030372143	1	48	0.0	-69.93	380.24	3.30	-66.63
CC[N@@H+]1CCCC(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030372149	0	54	0.0	-73.45	410.86	4.42	-69.03
CC[N@H+]1CCCC(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030372149	1	54	0.0	-69.44	400.64	4.28	-65.16
NC1=[NH+]C=CC=C1CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372155	0	47	0.0	-69.63	383.49	2.10	-67.53
O=C(NCC1(F)CCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300030372165	0	52	0.0	-63.77	401.62	4.46	-59.31
O=C(NCC1(F)CCN(C(=O)C2CCC[N@H+]2C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300030372165	1	52	0.0	-64.42	397.16	4.37	-60.05
O=C(C=CC[NH+]1CCCC1)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372200	0	52	0.0	-72.47	408.46	4.54	-67.93
O=C(NCC1(F)CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1)C1=CC(=O)[N-]O1	REAL300030372218	0	55	0.0	-70.54	418.43	5.01	-65.53
CC[N@H+](C)CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372256	0	47	0.0	-73.58	366.98	2.91	-70.67
O=C(CN1CC2C=CC1C2)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372301	0	50	0.0	-66.30	387.76	4.10	-62.20
O=C(C[N@@H+]1CC2C=CC1C2)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372301	1	50	0.0	-67.87	388.33	4.21	-63.66
O=C(C[N@H+]1CC2C=CC1C2)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372301	1	50	0.0	-67.87	388.33	4.21	-63.66
O=C(NCC1(F)CCN(C(=O)C23CCC[N@@H+]2CCCC3)CC1)C1=CC(=O)[N-]O1	REAL300030372407	0	55	0.0	-63.11	396.13	3.87	-59.24
O=C(NCC1(F)CCN(C(=O)C23CCC[N@H+]2CCCC3)CC1)C1=CC(=O)[N-]O1	REAL300030372407	1	55	0.0	-63.11	396.13	3.87	-59.24
O=C(NCC1(F)CCN(C(=O)C23CCC[N@@H+]2CC=CC3)CC1)C1=CC(=O)[N-]O1	REAL300030372413	0	53	0.0	-63.54	390.71	3.84	-59.70
O=C(NCC1(F)CCN(C(=O)C23CCC[N@H+]2CC=CC3)CC1)C1=CC(=O)[N-]O1	REAL300030372413	1	53	0.0	-63.54	390.71	3.84	-59.70
CC(OCC[NH+](C)C)C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372422	0	54	0.0	-68.36	420.17	3.78	-64.58
C[NH+](C)CCOCCC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372430	0	54	0.0	-69.53	425.79	3.08	-66.45
COCCN(C)CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372432	0	51	0.0	-70.05	399.36	2.07	-67.98
COCC[N@H+](C)CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372432	1	51	0.0	-74.71	399.58	2.08	-72.63
COCC[N@@H+](C)CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372432	1	51	0.0	-74.71	399.58	2.08	-72.63
CC(CCC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030372437	0	53	0.0	-69.99	406.25	4.02	-65.97
CC[N@H+](CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300030372459	0	51	0.0	-66.91	395.34	4.25	-62.66
CC1C[N@@H+]2CCN1C(C(=O)N1CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300030372474	0	54	0.0	-69.36	386.17	2.74	-66.62
C[N@@H+]1CC2CC1(C(=O)N1CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300030372496	0	49	0.0	-68.39	375.62	3.16	-65.23
O=C(C[N@@H+]1CC2CCC1C2)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372509	0	52	0.0	-67.00	392.98	4.14	-62.86
O=C(C[N@H+]1CC2CCC1C2)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372509	1	52	0.0	-67.00	392.98	4.14	-62.86
CC(C[NH+](C)C)C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372528	0	50	0.0	-73.96	385.75	3.37	-70.59
CC[N@@H+]1CCC1C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372572	0	48	0.0	-68.91	379.82	3.18	-65.73
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030372582	0	57	0.0	-65.83	418.61	5.02	-60.81
CC(C)[N@H+]1CCCC(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030372582	1	57	0.0	-65.83	418.61	5.02	-60.81
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372594	0	56	0.0	-67.38	413.88	2.84	-64.54
C#CCN1CCCCC1C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372633	0	53	0.0	-67.19	406.70	4.66	-62.53
C#CC[N@H+]1CCCCC1C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372633	1	53	0.0	-66.84	403.57	4.48	-62.36
C#CC[N@@H+]1CCCCC1C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372633	1	53	0.0	-66.84	403.57	4.48	-62.36
CNC1=NC(C)=CC=C1C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372634	0	50	0.0	-62.60	401.01	2.80	-59.80
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372634	1	50	0.0	-62.60	401.01	2.80	-59.80
CCCC(C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030372644	0	53	0.0	-68.25	400.02	4.04	-64.21
C[NH+](C)C(C)(C)C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372651	0	50	0.0	-73.39	368.99	2.69	-70.70
CC(CC[NH+](C)C)C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372669	0	53	0.0	-74.08	407.36	3.95	-70.13
O=C(NCC1(F)CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300030372726	0	53	0.0	-65.64	399.60	5.04	-60.60
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372755	0	54	0.0	-68.11	408.37	3.83	-64.28
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372755	1	54	0.0	-68.11	408.37	3.83	-64.28
C[NH+](C)CCCCCC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372758	0	56	0.0	-71.32	435.84	5.20	-66.12
O=C(CC[NH+]1CCC(O)CC1)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372762	0	55	0.0	-74.70	424.07	1.37	-73.33
CCC[N@@H+]1CCCCC1C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372766	0	57	0.0	-66.79	420.92	4.85	-61.94
CCC[N@H+]1CCCCC1C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372766	1	57	0.0	-66.79	420.92	4.85	-61.94
CN1CCN(CC(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030372775	0	53	0.0	-70.29	407.97	1.71	-68.58
C[NH+]1CCN(CC(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030372775	1	53	0.0	-70.29	407.97	1.71	-68.58
CC1C[N@H+](C)CC(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300030372857	1	52	0.0	-84.05	397.28	3.24	-80.81
CC1C[N@@H+](C)CC(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300030372857	1	52	0.0	-79.02	395.73	2.80	-76.22
CCC1CCC[N@H+](CC(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030372886	0	57	0.0	-69.92	422.92	5.31	-64.61
CCC1CCC[N@@H+](CC(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030372886	1	57	0.0	-68.56	422.44	4.87	-63.69
C[NH+](C)CC1=CC=C(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300030372894	0	52	0.0	-82.58	412.48	3.89	-78.69
O=C(C[NH+]1CC2CC2C1)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372907	0	49	0.0	-73.91	384.71	4.13	-69.78
O=C(CC1([NH+]2CCCC2)CC1)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372918	0	55	0.0	-66.58	414.09	5.03	-61.55
C[N@@H+]1CCCCC1C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372951	0	51	0.0	-65.82	389.32	3.82	-62.00
C[N@H+]1CCCCC1C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372951	1	51	0.0	-68.33	381.36	3.46	-64.87
C[N@@H+]1CCC(=CC(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030373050	0	49	0.0	-77.02	386.76	3.77	-73.25
C[N@H+]1CCC(=CC(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030373050	1	49	0.0	-73.42	386.72	3.79	-69.63
O=C(CNC1=CC=[NH+]C=C1)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030373055	0	47	0.0	-69.00	384.67	1.49	-67.51
CC[NH+]1CCN(CC(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030373106	0	56	0.0	-69.15	425.20	2.35	-66.80
O=C(C=C1C[NH+]2CCC1CC2)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030373109	0	53	0.0	-67.35	404.40	4.67	-62.68
C[NH+](C)C1(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CCCC1	REAL300030373142	0	54	0.0	-65.71	385.38	3.82	-61.89
C[N@H+](CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CCC[C@H]1O	REAL300030373150	0	55	0.0	-65.78	419.43	1.63	-64.15
C[N@@H+](CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CCC[C@H]1O	REAL300030373150	1	55	0.0	-68.84	419.93	1.43	-67.41
CCC1C[NH+](CC(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030373153	0	51	0.0	-70.72	401.63	4.08	-66.64
O=C(NCC1(F)CCN(C(=O)C2([NH+]3CCCC3)CCC2)CC1)C1=CC(=O)[N-]O1	REAL300030373156	0	55	0.0	-66.62	401.03	4.33	-62.29
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030373168	0	48	0.0	-66.38	373.57	3.09	-63.29
C[N@H+]1CCC[C@H]1C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030373168	1	48	0.0	-71.83	367.72	2.76	-69.07
CC[N@@H+]1CCOCC1CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030373190	0	55	0.0	-73.05	417.07	2.75	-70.30
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030373294	0	51	0.0	-70.69	397.94	3.97	-66.72
C[NH+](C)C1CCC(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030373305	0	57	0.0	-66.63	418.10	4.71	-61.92
C[NH+](C)CCC1(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030373306	0	54	0.0	-71.23	421.98	4.64	-66.59
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030373307	0	57	0.0	-66.22	417.85	4.71	-61.51
C[N@@H+]1CC=CCC1CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030373308	0	52	0.0	-72.68	400.10	4.34	-68.34
C[N@H+]1CC=CCC1CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030373308	1	52	0.0	-72.68	400.10	4.34	-68.34
C[NH+](C)CCOCC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030373360	0	51	0.0	-70.05	404.83	3.34	-66.71
CCCCC[N@H+](C)CCC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030373365	0	59	0.0	-73.14	453.56	5.81	-67.33
CCCCC[N@@H+](C)CCC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030373365	1	59	0.0	-73.14	453.56	5.81	-67.33
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300030373376	0	55	0.0	-71.10	424.85	4.05	-67.05
[NH2+]=C1SC=CN1CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030373399	0	44	0.0	-69.34	376.31	2.43	-66.91
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030373464	0	54	0.0	-68.39	420.17	3.77	-64.62
O=C(CC[NH+]1CCCCCC1)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030373495	0	57	0.0	-71.86	423.44	5.27	-66.59
O=C(C[NH+]1CCCCC1)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030373498	0	51	0.0	-69.31	390.70	4.11	-65.20
C[N@@H+]1CCCC(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030373500	0	51	0.0	-71.05	393.64	3.78	-67.27
C[N@H+]1CCCC(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030373500	1	51	0.0	-70.30	382.97	3.64	-66.66
O=C(C[NH+]1CCC(CO)CC1)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030373501	0	55	0.0	-71.87	422.93	1.41	-70.46
O=C(C[NH+]1CCCCCC1)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030373502	0	54	0.0	-69.20	400.12	4.28	-64.92
CN1C=C[N+](CC(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030373507	0	46	0.0	-67.69	380.20	5.75	-61.94
C[NH+](C)CC1=CC=C(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300030373522	1	51	0.0	-79.82	409.60	3.99	-75.83
O=C(C[NH+]1CCC(O)CC1)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030373537	0	52	0.0	-73.73	402.05	0.76	-72.97
C[N@@H+](CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300030373541	1	48	0.0	-67.59	378.39	3.64	-63.95
CC(C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1)N1CC[NH+](C)CC1	REAL300030373543	1	56	0.0	-74.21	424.08	2.13	-72.08
O=C(CC[N@@H+]1CCC(F)C1)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030373545	1	51	0.0	-76.47	403.52	4.06	-72.41
COC1C[N@@H+](C)C(C)(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030373554	1	55	0.0	-66.47	411.98	2.00	-64.47
CC(CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300030373570	0	53	0.0	-73.76	405.97	4.27	-69.49
O=C(NCC1(F)CCN(C(=O)C2CC[N@@H+]3CCOCC23)CC1)C1=CC(=O)[N-]O1	REAL300030373582	0	53	0.0	-67.85	398.50	2.38	-65.47
O=C(NCC1(F)CCN(C(=O)C2CC[N@H+]3CCOCC23)CC1)C1=CC(=O)[N-]O1	REAL300030373582	1	53	0.0	-73.06	404.74	2.36	-70.70
CN1CCOCC1CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030373599	0	52	0.0	-75.43	399.49	2.10	-73.33
C[N@@H+]1CCOCC1CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030373599	1	52	0.0	-75.41	399.53	2.09	-73.32
C[N@H+]1CCOCC1CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030373599	1	52	0.0	-75.43	399.49	2.10	-73.33
CC[NH+]1CCN(CC(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030373607	0	56	0.0	-69.15	425.20	2.35	-66.80
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030373657	1	47	0.0	-68.04	379.89	1.50	-66.54
NC1=CC=C(CCC(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C=[NH+]1	REAL300030373660	0	50	0.0	-68.26	407.99	2.78	-65.48
CC1(O)CC[N@@H+](CC(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030373696	1	52	0.0	-70.06	405.15	0.63	-69.43
C[NH+]1CC(CC(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030373728	0	48	0.0	-71.06	380.24	3.09	-67.97
O=C(NCC1(F)CCN(C(=O)C2CC[N@@H+]2C2CCCC2)CC1)C1=CC(=O)[N-]O1	REAL300030373732	0	55	0.0	-67.19	413.42	4.70	-62.49
O=C(NCC1(F)CCN(C(=O)C2CC[N@H+]2C2CCCC2)CC1)C1=CC(=O)[N-]O1	REAL300030373732	1	55	0.0	-69.27	418.44	4.96	-64.31
C[NH+](C)CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030373740	0	44	0.0	-70.52	348.96	2.22	-68.30
C[N@H+](CCO)CCC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030373766	0	51	0.0	-71.54	399.70	0.28	-71.26
C[N@@H+](CCO)CCC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030373766	1	51	0.0	-70.95	399.40	0.25	-70.70
C[C@@H](C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030373767	0	47	0.0	-67.87	365.61	2.65	-65.22
C[N@@H+]1CCCCC1CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030373784	0	54	0.0	-71.83	408.15	4.47	-67.36
C[N@H+]1CCCCC1CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030373784	1	54	0.0	-64.19	400.72	4.34	-59.85
CC(C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CC(C)C1	REAL300030373801	0	51	0.0	-67.47	398.17	3.73	-63.74
CC1CC[N@H+]1CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030373805	1	48	0.0	-67.86	375.53	3.11	-64.75
C[NH+](C)CC=CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030373816	0	48	0.0	-73.86	383.85	3.46	-70.40
CC1(C)C[NH+](CC(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030373827	1	51	0.0	-69.99	399.55	3.85	-66.14
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300030373842	1	52	0.0	-65.07	420.15	3.61	-61.46
C[NH+](C)CCSCC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030373859	0	51	0.0	-74.45	415.85	4.24	-70.21
O=C(C[N@H+]1CCCC1CO)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030373882	0	52	0.0	-68.96	398.60	0.30	-68.66
O=C(C[N@@H+]1CCCC1CO)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030373882	1	52	0.0	-66.20	394.89	0.81	-65.39
CC[NH+](CC)CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030373886	0	50	0.0	-68.11	380.56	3.31	-64.80
O=C(C[NH+]1CCC1)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030373897	1	45	0.0	-70.16	359.28	2.70	-67.46
CC[NH+](CC)CCC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030373937	0	53	0.0	-70.80	402.57	3.93	-66.87
C[NH+](C)CC1=CNC(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030373994	0	52	0.0	-72.48	412.20	3.76	-68.72
CC(C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC(O)CC1	REAL300030374011	0	55	0.0	-70.32	418.82	1.13	-69.19
O=C(NCC1(F)CCN(C(=O)C2CC3COCC[N@@H+]3C2)CC1)C1=CC(=O)[N-]O1	REAL300030374015	0	53	0.0	-71.73	404.01	2.39	-69.34
O=C(NCC1(F)CCN(C(=O)C2CC3COCC[N@H+]3C2)CC1)C1=CC(=O)[N-]O1	REAL300030374015	1	53	0.0	-71.43	404.21	2.41	-69.02
CC(C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC1	REAL300030374026	0	48	0.0	-67.37	376.68	3.14	-64.23
CCC(CC(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300030374031	0	56	0.0	-74.51	424.63	4.92	-69.59
NC1=CC=C(C=CC(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C=[NH+]1	REAL300030374038	0	48	0.0	-70.97	395.34	2.50	-68.47
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C[NH+](C)CC(=O)N1CCC2CC(NC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030377068	0	51	0.0	-73.19	382.65	4.19	-69.00
C[N@H+](CCO)CCC(=O)N1CCC2CC(NC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030377078	0	58	0.0	-75.28	437.50	1.83	-73.45
C[N@@H+](CCO)CCC(=O)N1CCC2CC(NC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030377078	1	58	0.0	-74.89	437.45	1.80	-73.09
C[C@@H](C(=O)N1CCC2CC(NC(=O)C3=CC(=O)[N-]O3)CCC2C1)[NH+](C)C	REAL300030377079	0	54	0.0	-69.96	398.36	4.52	-65.44
CC(C(=O)N1CCC2CC(NC(=O)C3=CC(=O)[N-]O3)CCC2C1)[NH+]1CC(C)C1	REAL300030377093	0	58	0.0	-72.90	428.17	5.12	-67.78
CC1CC[N@@H+]1CC(=O)N1CCC2CC(NC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030377094	1	55	0.0	-72.50	418.37	4.84	-67.66
CC1CC[N@H+]1CC(=O)N1CCC2CC(NC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030377094	1	55	0.0	-72.61	418.41	4.85	-67.76
C[NH+](C)CC=CC(=O)N1CCC2CC(NC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030377097	0	55	0.0	-78.48	423.19	5.05	-73.43
CC1(C)C[NH+](CC(=O)N2CCC3CC(NC(=O)C4=CC(=O)[N-]O4)CCC3C2)C1	REAL300030377101	1	58	0.0	-72.70	433.10	5.75	-66.95
CC[NH+](CC)CC(=O)N1CCC2CC(NC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030377119	0	57	0.0	-71.14	418.63	5.53	-65.61
O=C(C[NH+]1CCC1)N1CCC2CC(NC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030377125	1	52	0.0	-74.02	397.39	4.25	-69.77
CC[NH+](CC)CCC(=O)N1CCC2CC(NC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030377146	0	60	0.0	-74.90	440.51	5.45	-69.45
CC(C(=O)N1CCC2CC(NC(=O)C3=CC(=O)[N-]O3)CCC2C1)[NH+]1CCC1	REAL300030377181	1	55	0.0	-70.30	402.44	4.79	-65.51
C[NH+](C)CC(C)(C)C(=O)N1CCC2CC(NC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030377186	0	60	0.0	-74.91	425.50	4.81	-70.10
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2CC(NC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030377207	0	58	0.0	-73.14	419.46	4.99	-68.15
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC2CC(NC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030377207	1	58	0.0	-67.67	422.37	5.72	-61.95
C[NH+](C)CC(O)CC(=O)N1CCC2CC(NC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030377218	0	58	0.0	-78.87	439.53	2.84	-76.03
C=CCC(C(=O)N1CCC2CC(NC(=O)C3=CC(=O)[N-]O3)CCC2C1)[NH+](C)C	REAL300030377232	0	58	0.0	-69.36	427.15	5.14	-64.22
C[N@@H+]1CCCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030377432	0	46	0.0	-73.47	362.77	3.21	-70.26
C[N@H+]1CCCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030377432	1	46	0.0	-71.47	367.27	3.68	-67.79
C[N@@H+]1CCOC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030377456	1	47	0.0	-78.29	369.57	2.88	-75.41
C[N@H+]1CCOC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030377456	1	47	0.0	-78.59	371.24	2.96	-75.63
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030377646	1	53	0.0	-71.58	430.08	5.95	-65.63
CC(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCCCCC1	REAL300030377653	0	55	0.0	-72.19	414.75	5.20	-66.99
CC(C)[N@@H+]1CCCCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030377656	0	55	0.0	-68.53	416.24	5.20	-63.33
CC(C)[N@H+]1CCCCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030377656	1	55	0.0	-68.74	416.41	5.24	-63.50
CC(C)[N@@H+]1CCCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030377691	0	52	0.0	-71.80	394.69	5.08	-66.72
CC(C)[N@H+]1CCCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030377691	1	52	0.0	-74.20	395.80	5.29	-68.91
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CC4CCCC[N@@H+]4C3)C2)C1	REAL300030377718	0	53	0.0	-78.62	410.13	5.45	-73.17
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CC4CCCC[N@H+]4C3)C2)C1	REAL300030377718	1	53	0.0	-73.95	411.24	5.48	-68.47
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030377754	1	50	0.0	-69.93	409.37	5.47	-64.46
CC1=[NH+]C=CN1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030377810	1	44	0.0	-71.42	373.12	4.35	-67.07
CC(C[NH+]1CCOCC1)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030377812	0	53	0.0	-79.72	417.41	3.41	-76.31
O=C(CCC[NH+]1CCCCC1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030377834	0	55	0.0	-77.86	430.12	6.03	-71.83
CC(C)(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCCCC1	REAL300030377863	0	55	0.0	-72.93	407.26	5.58	-67.35
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3C[NH+]4CCC3CC4)C2)C1	REAL300030377882	0	50	0.0	-80.30	383.32	4.43	-75.87
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CCCC4CCC[N@@H+]43)C2)C1	REAL300030377945	0	53	0.0	-67.70	403.28	5.34	-62.36
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CCCC4CCC[N@H+]43)C2)C1	REAL300030377945	1	53	0.0	-69.85	395.24	4.95	-64.90
C[NH+](C)CCN1C=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=N1	REAL300030377947	0	52	0.0	-85.14	424.09	3.94	-81.20
C[NH+](C)CCN1C=CC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=N1	REAL300030377963	0	52	0.0	-85.82	426.15	4.29	-81.53
C[C@@H]1[C@H](C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300030377970	0	49	0.0	-76.33	380.83	4.05	-72.28
C[C@@H]1[C@H](C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300030377970	1	49	0.0	-77.15	386.31	3.97	-73.18
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030377973	1	53	0.0	-71.82	430.57	6.01	-65.81
CC[C@@H]1[C@@H](C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300030377976	0	52	0.0	-76.13	397.36	4.38	-71.75
CC[C@@H]1[C@@H](C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300030377976	1	52	0.0	-75.63	402.74	4.66	-70.97
CC[N@@H+]1CCOC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030378002	1	50	0.0	-87.20	397.19	3.84	-83.36
CC[N@H+]1CCOC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030378002	1	50	0.0	-80.30	388.36	3.58	-76.72
CC[NH+](CC)CC(F)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030378071	0	51	0.0	-78.73	406.84	4.74	-73.99
C[NH+](C)CC1=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)SC=C1	REAL300030378072	0	49	0.0	-67.68	405.42	5.12	-62.56
CC1CCC(C)[NH+]1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030378188	0	52	0.0	-72.17	401.35	4.64	-67.53
O=C(CCC[NH+]1CCCC1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030378195	0	52	0.0	-77.65	414.45	5.33	-72.32
C[NH+](C)CC1=CC=CC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300030378196	0	52	0.0	-80.52	418.53	5.82	-74.70
C#CC[NH+]1CCC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030378203	0	51	0.0	-79.79	410.39	5.33	-74.46
O=C(CC[NH+]1CCCCC1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030378204	0	52	0.0	-77.56	408.61	5.23	-72.33
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030378208	0	52	0.0	-65.96	411.93	6.16	-59.80
CC[N@@H+]1CCCCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030378218	0	52	0.0	-70.12	402.80	4.93	-65.19
CC[N@H+]1CCCCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030378218	1	52	0.0	-69.91	403.08	4.94	-64.97
CC(C)C(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCCCC1	REAL300030378219	0	58	0.0	-70.39	430.63	6.30	-64.09
C[NH+](C)C(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=CC=C1	REAL300030378222	1	52	0.0	-74.47	419.23	6.26	-68.21
CC(C)C[N@@H+]1CCC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030378248	0	55	0.0	-78.84	429.04	5.67	-73.17
CC(C)C[N@H+]1CCC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030378248	1	55	0.0	-78.86	427.08	5.59	-73.27
C[NH+](C)C1(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCC1	REAL300030378252	0	49	0.0	-78.36	374.74	4.02	-74.34
C[NH+](C)C(CN1C=CC=N1)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030378254	1	52	0.0	-80.75	415.44	4.46	-76.29
CC(C)[N@@H+]1CCCC1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030378260	0	55	0.0	-69.97	416.14	4.93	-65.04
CC(C)[N@H+]1CCCC1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030378260	1	55	0.0	-69.65	415.13	4.90	-64.75
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CCC[N@@H+]3C3CCCC3)C2)C1	REAL300030378261	0	56	0.0	-73.07	421.69	6.46	-66.61
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CCC[N@H+]3C3CCCC3)C2)C1	REAL300030378261	1	56	0.0	-73.99	429.84	6.13	-67.86
CC(C)[C@@H](C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030378288	0	51	0.0	-74.66	387.95	4.66	-70.00
C[N@H+](CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300030378354	0	49	0.0	-72.05	389.95	4.73	-67.32
C[N@@H+](CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300030378354	1	49	0.0	-72.29	389.85	4.71	-67.58
CC(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1C(C)CCC1C	REAL300030378449	0	55	0.0	-74.12	409.25	5.98	-68.14
CN(CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=[NH+]C=C1	REAL300030378531	0	51	0.0	-74.59	419.35	4.46	-70.13
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030378544	1	48	0.0	-73.93	390.11	4.55	-69.38
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030378544	1	48	0.0	-72.85	393.27	4.89	-67.96
C[N@@H+]1CCCC1CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030378554	0	52	0.0	-77.51	410.95	5.31	-72.20
C[N@H+]1CCCC1CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030378554	1	52	0.0	-77.39	407.34	5.07	-72.32
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1	REAL300030378568	0	53	0.0	-75.48	393.60	4.51	-70.97
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CCC4CCCC[N@@H+]43)C2)C1	REAL300030378576	0	53	0.0	-72.89	404.69	5.23	-67.66
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CCC4CCCC[N@H+]43)C2)C1	REAL300030378576	1	53	0.0	-69.43	410.81	5.59	-63.84
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030378585	0	56	0.0	-76.87	416.90	3.43	-73.44
O=C(CCCC[NH+]1CCCC1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030378605	0	55	0.0	-78.29	435.95	6.11	-72.18
C[N@H+](CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC1=CC=CC=C1	REAL300030378608	1	52	0.0	-78.23	420.38	6.34	-71.89
C[N@@H+](CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC1=CC=CC=C1	REAL300030378608	1	52	0.0	-78.23	420.44	6.34	-71.89
C[NH+]1CCC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030378626	0	49	0.0	-79.13	385.73	4.18	-74.95
C[NH+](C)CC1=CC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=NO1	REAL300030378693	1	48	0.0	-84.21	400.62	3.78	-80.43
CC1=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=CC2=C[NH+]=CN21	REAL300030378695	0	47	0.0	-77.32	396.24	6.46	-70.86
C[N@@H+]1CCCCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030378744	0	49	0.0	-72.89	386.33	4.37	-68.52
C[N@H+]1CCCCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030378744	1	49	0.0	-72.29	374.00	3.93	-68.36
CC(C)C[N@@H+]1CCCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030378778	0	55	0.0	-71.08	425.59	5.80	-65.28
CC(C)C[N@H+]1CCCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030378778	1	55	0.0	-74.26	422.52	5.38	-68.88
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CN4C=[NH+]C=C4C=C3)C2)C1	REAL300030378944	0	44	0.0	-78.41	370.28	5.85	-72.56
CC1=[NH+]C=CN1CCCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030378959	1	50	0.0	-72.84	414.68	5.66	-67.18
O=C(CCCC[NH+]1CCOCC1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030378963	1	56	0.0	-79.33	441.97	4.34	-74.99
C[NH+](C)CC1=CC=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=C1	REAL300030378969	0	52	0.0	-83.57	417.16	5.76	-77.81
O=C(CC[NH+]1CCOCC1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030378970	1	50	0.0	-80.94	399.89	2.82	-78.12
C[NH+](C)C(C)(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=CC=C1	REAL300030378990	0	55	0.0	-78.70	416.87	6.71	-71.99
CCC[NH+](CCC)CCCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030378998	0	60	0.0	-75.81	466.27	6.97	-68.84
CC[N@H+](C)C(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=CC=C1	REAL300030378999	0	55	0.0	-71.57	436.00	6.80	-64.77
CC[N@@H+](C)C(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=CC=C1	REAL300030378999	1	55	0.0	-70.76	437.08	6.85	-63.91
CC1=C[NH+]=CN1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030379022	1	44	0.0	-74.12	373.48	5.09	-69.03
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030379035	1	51	0.0	-73.09	415.35	6.81	-66.28
C[NH+](C)CC1(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCCCC1	REAL300030379083	0	58	0.0	-80.05	421.52	6.29	-73.76
C[NH+](C)CCC1=CC=CC=C1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030379084	0	55	0.0	-69.21	432.24	6.60	-62.61
C[N@H+](CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCCCC1	REAL300030379090	0	58	0.0	-79.19	443.03	6.40	-72.79
C[N@@H+](CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCCCC1	REAL300030379090	1	58	0.0	-79.12	443.04	6.39	-72.73
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C34CCC[NH+]3CCC4)C2)C1	REAL300030379095	0	50	0.0	-69.73	383.41	4.31	-65.42
C[NH+](C)C1CCCC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030379135	0	55	0.0	-74.97	419.94	5.36	-69.61
C[N@@H+]1CCC(CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030379142	0	49	0.0	-79.21	391.30	4.34	-74.87
C[N@H+]1CCC(CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030379142	1	49	0.0	-77.37	390.04	4.35	-73.02
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030379156	0	48	0.0	-81.20	392.56	2.92	-78.28
CCC(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030379162	0	48	0.0	-74.62	375.49	3.89	-70.73
C[NH+](C)C1(CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCCC1	REAL300030379186	0	55	0.0	-79.67	408.48	5.23	-74.44
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC4=C[NH+]=CN4C=C3)C2)C1	REAL300030379258	1	44	0.0	-83.37	370.60	5.85	-77.52
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=NN(C4=CC=[NH+]C=C4)C=C3)C2)C1	REAL300030379303	1	47	0.0	-84.19	401.16	4.22	-79.97
C[NH+](C)CCCCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030379338	0	51	0.0	-77.38	409.07	4.88	-72.50
CC(C)C(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030379360	0	51	0.0	-73.83	388.80	4.33	-69.50
CCC[N@H+](C)CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030379362	0	51	0.0	-79.05	406.21	4.76	-74.29
CCC[N@@H+](C)CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030379362	1	51	0.0	-78.99	406.22	4.76	-74.23
CCC[N@H+](C)CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030379369	0	48	0.0	-74.28	382.82	4.15	-70.13
CCC[N@@H+](C)CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030379369	1	48	0.0	-74.11	382.96	4.16	-69.95
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C34CC[N@H+](C3)CCC4)C2)C1	REAL300030379400	0	50	0.0	-82.44	378.04	3.69	-78.75
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C34CC[N@@H+](C3)CCC4)C2)C1	REAL300030379400	1	50	0.0	-78.59	381.22	3.75	-74.84
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030379469	0	46	0.0	-73.46	362.75	3.22	-70.24
C[N@H+]1CCC[C@@H]1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030379469	1	46	0.0	-73.45	368.15	3.74	-69.71
CC1CC2CCC(C(=O)N3CC(C4CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C[N@@H+]2C1	REAL300030379497	0	56	0.0	-75.14	430.27	5.87	-69.27
CC1CC2CCC(C(=O)N3CC(C4CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C[N@H+]2C1	REAL300030379497	1	56	0.0	-72.89	429.24	5.84	-67.05
CCCCCC[N@H+](C)CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030379554	0	57	0.0	-75.30	447.45	6.50	-68.80
CCCCCC[N@@H+](C)CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030379554	1	57	0.0	-75.33	447.46	6.50	-68.83
CC[NH+](CC)C(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C(C)C	REAL300030379565	0	57	0.0	-69.58	419.49	5.59	-63.99
CC[NH+](CC)CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030379576	0	48	0.0	-72.47	375.29	3.81	-68.66
CCC[N@@H+]1CCCC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030379610	0	55	0.0	-68.93	418.66	5.73	-63.20
CCC[N@H+]1CCCC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030379610	1	55	0.0	-76.50	423.71	5.59	-70.91
CC(C)[N@@H+]1CCOC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030379634	0	53	0.0	-81.82	413.28	4.26	-77.56
CC(C)[N@H+]1CCOC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030379634	1	53	0.0	-81.39	411.11	4.22	-77.17
CC1CC[NH+](CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030379676	0	52	0.0	-76.37	407.19	5.27	-71.10
O=C(C1=CN(C2=CC=[NH+]C=C2)N=C1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030379708	1	47	0.0	-84.21	399.07	3.89	-80.32
C[NH+]1CCC(OCC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030379718	0	53	0.0	-83.85	424.54	4.94	-78.91
C[NH+](C)CC1(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030379737	0	49	0.0	-74.01	394.78	4.43	-69.58
CC1=[NH+]C=C2CCC(C(=O)N3CC(C4CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)CN21	REAL300030379738	1	51	0.0	-72.11	412.61	5.34	-66.77
CC(C)[NH+]1CCC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030379845	0	55	0.0	-76.46	420.04	5.37	-71.09
C[NH+]1CCC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030379876	0	49	0.0	-79.13	385.73	4.18	-74.95
CC(C)[C@H](C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030379899	0	51	0.0	-74.74	389.93	4.49	-70.25
CCC(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](CC)CC	REAL300030379938	0	54	0.0	-69.89	408.93	5.00	-64.89
CC[N@H+](C)CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030380037	0	48	0.0	-78.28	384.72	4.01	-74.27
CC[N@@H+](C)CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030380037	1	48	0.0	-78.24	384.72	4.01	-74.23
CC1CCC[N@@H+]1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030380119	0	49	0.0	-70.85	382.23	4.11	-66.74
CC1CCC[N@H+]1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030380119	1	49	0.0	-73.35	389.38	4.54	-68.81
CC1CC[N@H+](CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030380122	0	49	0.0	-75.43	390.62	4.53	-70.90
CC1CC[N@@H+](CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030380122	1	49	0.0	-73.16	388.91	4.40	-68.76
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030380123	0	55	0.0	-73.95	422.89	4.94	-69.01
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030380123	1	55	0.0	-72.80	425.26	5.04	-67.76
CC1=[NH+]C=C2CC(C(=O)N3CC(C4CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)CCN21	REAL300030380125	1	51	0.0	-72.90	410.31	5.30	-67.60
C[NH+](C)CCC1=CC=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=C1	REAL300030380127	0	55	0.0	-84.03	440.14	6.61	-77.42
CC1(C)CC[N@H+](CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030380129	0	52	0.0	-75.40	409.84	5.02	-70.38
CC1(C)CC[N@@H+](CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030380129	1	52	0.0	-75.49	410.11	5.04	-70.45
C[N@H+](CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC(C)(C)C	REAL300030380130	0	54	0.0	-74.03	411.57	5.12	-68.91
C[N@@H+](CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC(C)(C)C	REAL300030380130	1	54	0.0	-73.75	413.51	5.30	-68.45
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030380131	0	55	0.0	-78.08	442.86	7.18	-70.90
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030380131	1	55	0.0	-78.12	442.86	7.18	-70.94
CC[C@@H](C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030380143	0	48	0.0	-73.36	375.12	3.86	-69.50
CC(COCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCCC1	REAL300030380151	0	56	0.0	-73.47	442.34	5.54	-67.93
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1	REAL300030380253	0	56	0.0	-79.09	434.87	6.39	-72.70
C[NH+]1CCC(O)(CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030380410	0	53	0.0	-78.68	415.17	3.14	-75.54
COCC[N@@H+]1CCCC1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030380417	0	56	0.0	-74.31	439.27	4.44	-69.87
COCC[N@H+]1CCCC1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030380417	1	56	0.0	-77.66	436.37	3.83	-73.83
C[NH+](C)CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030380425	0	42	0.0	-76.69	344.62	2.79	-73.90
O=C(C[NH+]1CCC(CO)CC1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030380430	0	53	0.0	-79.13	418.02	1.96	-77.17
O=C(C[NH+]1CCCCCC1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030380434	0	52	0.0	-75.20	395.69	4.85	-70.35
CN1C=C[N+](CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300030380439	0	44	0.0	-72.45	374.96	6.25	-66.20
C[N@@H+]1CCCC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030380450	0	49	0.0	-78.92	380.37	4.24	-74.68
C[N@H+]1CCCC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030380450	1	49	0.0	-76.33	379.58	4.15	-72.18
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CCC[N@@H+]3C3CC3)C2)C1	REAL300030380456	0	50	0.0	-71.46	399.28	5.20	-66.26
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CCC[N@H+]3C3CC3)C2)C1	REAL300030380456	1	50	0.0	-74.39	393.79	4.66	-69.73
CC(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCC1	REAL300030380496	0	46	0.0	-74.62	366.65	3.43	-71.19
CCC(CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300030380506	0	54	0.0	-83.05	419.46	5.42	-77.63
C[NH+](C)CC(C)(C)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030380515	0	51	0.0	-77.10	388.17	4.06	-73.04
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)C2)C1	REAL300030380539	0	51	0.0	-69.74	397.56	4.91	-64.83
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C34CC(C3)C[N@H+]4C3CC3)C2)C1	REAL300030380539	1	51	0.0	-76.65	393.33	5.69	-70.96
O=C(C[NH+]1CCC(O)CC1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030380563	1	50	0.0	-80.57	397.43	1.31	-79.26
C[N@H+](CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300030380565	0	46	0.0	-73.21	373.90	4.19	-69.02
C[N@@H+](CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300030380565	1	46	0.0	-73.72	374.04	4.20	-69.52
CC(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)N1CC[NH+](C)CC1	REAL300030380566	1	54	0.0	-75.41	416.38	2.53	-72.88
C[NH+]1CC(CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030380596	0	46	0.0	-75.95	374.99	3.57	-72.38
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CC[N@@H+]3C3CCCC3)C2)C1	REAL300030380600	0	53	0.0	-76.86	416.42	5.73	-71.13
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CC[N@H+]3C3CCCC3)C2)C1	REAL300030380600	1	53	0.0	-74.52	409.49	5.20	-69.32
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030380609	0	52	0.0	-71.20	404.98	4.51	-66.69
CC(C)(C)[N@H+]1CCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030380609	1	52	0.0	-73.30	406.13	4.53	-68.77
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CCN(C4=CC=[NH+]C=C4)C3)C2)C1	REAL300030380620	0	52	0.0	-76.66	417.44	3.17	-73.49
C[C@@H](C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030380623	0	45	0.0	-73.03	361.14	3.10	-69.93
CCC1CCC[N@H+](CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030380677	0	55	0.0	-72.95	416.93	5.41	-67.54
CCC1CCC[N@@H+](CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030380677	1	55	0.0	-76.38	418.51	5.87	-70.51
C[NH+](C)CC1=CC=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)N1	REAL300030380686	0	50	0.0	-84.84	405.95	4.16	-80.68
C[NH+]1C2CCC1CC(CC(=O)N1CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300030380701	0	56	0.0	-78.34	410.30	5.24	-73.10
C[NH+](C)C(CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=CC=C1	REAL300030380708	0	55	0.0	-81.95	434.55	6.78	-75.17
[NH2+]=C1SC=CN1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030380750	0	42	0.0	-70.88	370.79	2.92	-67.96
C[N@H+](CCO)CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030380764	0	49	0.0	-78.01	395.07	0.79	-77.22
C[N@@H+](CCO)CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030380764	1	49	0.0	-77.84	395.06	0.78	-77.06
C[C@@H](C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030380765	0	45	0.0	-73.03	361.14	3.10	-69.93
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030380770	0	49	0.0	-71.97	372.02	3.92	-68.05
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030380770	1	49	0.0	-71.15	385.24	4.38	-66.77
CC1CN2CC[N@@H+]1CC2C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030380780	0	52	0.0	-80.41	393.50	1.50	-78.91
CC1CN2CC[N@H+]1CC2C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030380780	1	52	0.0	-82.56	394.19	1.58	-80.98
COC1C[N@@H+]2CCCC2(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030380833	0	54	0.0	-70.03	417.31	3.12	-66.91
COC1C[N@H+]2CCCC2(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030380833	1	54	0.0	-75.00	418.06	3.33	-71.67
O=C(CC1=CC2=C[NH+]=CN2C=C1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030380849	0	47	0.0	-74.75	398.14	6.93	-67.82
C[N@H+](CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCSC1	REAL300030380883	0	50	0.0	-79.28	403.22	4.97	-74.31
C[N@@H+](CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCSC1	REAL300030380883	1	50	0.0	-78.98	403.01	4.98	-74.00
O=C(C[NH+]1CCC1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030380884	1	43	0.0	-76.69	354.72	3.35	-73.34
C[NH+](C)CC1=CC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC=N1	REAL300030380923	1	51	0.0	-77.39	414.56	4.00	-73.39
C[N@@H+]1CCC(=CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030380925	0	47	0.0	-78.71	382.14	4.33	-74.38
C[N@H+]1CCC(=CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030380925	1	47	0.0	-80.57	383.20	4.32	-76.25
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3C[NH+](C4CCCCC4)C3)C2)C1	REAL300030380953	0	56	0.0	-80.05	436.62	6.14	-73.91
C[NH+](C)CCOCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030380972	0	49	0.0	-77.10	400.50	3.89	-73.21
CCCCC[N@H+](C)CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030380979	0	57	0.0	-80.02	449.21	6.32	-73.70
CCCCC[N@@H+](C)CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030380979	1	57	0.0	-79.97	449.21	6.32	-73.65
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300030380989	0	53	0.0	-76.09	420.29	4.66	-71.43
C=CCC(C)(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030381001	0	52	0.0	-81.54	393.83	4.98	-76.56
C[S+](C)CCC(O)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030381006	0	48	0.0	-83.82	404.95	2.35	-81.47
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030381044	0	50	0.0	-80.64	385.00	0.44	-80.20
CN1CC[N@H+](C)CC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030381059	0	54	0.0	-74.68	413.11	2.28	-72.40
CN1CC[N@@H+](C)CC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030381059	1	54	0.0	-74.68	413.11	2.28	-72.40
CC(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[N@@H+]1CCCC(O)C1	REAL300030381060	0	53	0.0	-72.88	415.59	1.67	-71.21
C[N@@H+]1CCCC(O)(CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030381087	0	53	0.0	-70.73	414.03	3.14	-67.59
C[N@H+]1CCCC(O)(CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030381087	1	53	0.0	-70.73	414.03	3.14	-67.59
CC1CN(CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030381091	0	46	0.0	-74.24	375.03	3.84	-70.40
CC1C[NH+](CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030381091	1	46	0.0	-74.24	375.03	3.84	-70.40
CN(CCO)CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030381122	0	46	0.0	-74.82	371.81	0.17	-74.65
C[N@H+](CCO)CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030381122	1	46	0.0	-74.54	371.60	0.18	-74.36
C[N@@H+](CCO)CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030381122	1	46	0.0	-74.54	371.60	0.18	-74.36
C[NH+]1C2CCC1CC(=CC(=O)N1CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300030381148	0	54	0.0	-76.36	417.25	5.79	-70.57
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3C[N@@H+]4CCN3CCC4)C2)C1	REAL300030381153	0	52	0.0	-80.54	391.59	2.03	-78.51
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3C[N@H+]4CCN3CCC4)C2)C1	REAL300030381153	1	52	0.0	-80.54	391.59	2.03	-78.51
CC[N@@H+]1CCCC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030381162	0	52	0.0	-70.03	398.21	5.04	-64.99
CC[N@H+]1CCCC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030381162	1	52	0.0	-70.03	398.21	5.04	-64.99
CC(CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300030381164	0	51	0.0	-78.75	401.81	4.80	-73.95
CC[N@H+](C)CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030381181	0	45	0.0	-73.86	361.46	3.42	-70.44
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C34CCC[N@@H+]3CCCC4)C2)C1	REAL300030381212	0	53	0.0	-71.63	396.34	4.91	-66.72
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C34CCC[N@H+]3CCCC4)C2)C1	REAL300030381212	1	53	0.0	-71.63	396.34	4.91	-66.72
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C34CCC[N@@H+]3CC=CC4)C2)C1	REAL300030381222	0	51	0.0	-69.66	389.31	4.74	-64.92
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C34CCC[N@H+]3CC=CC4)C2)C1	REAL300030381222	1	51	0.0	-69.66	389.31	4.74	-64.92
CC[N@H+](CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300030381251	0	49	0.0	-71.16	389.76	4.75	-66.41
CC[NH+](CC)CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030381276	0	51	0.0	-75.06	401.66	4.67	-70.39
CC1(C)CN(CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030381310	0	49	0.0	-76.42	395.21	4.40	-72.02
CC1(C)C[NH+](CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030381310	1	49	0.0	-76.42	395.21	4.40	-72.02
O=C(CCCC[NH+]1CCCCC1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030381316	0	58	0.0	-78.37	451.62	6.81	-71.56
CC1(O)CC[N@H+](CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030381351	0	50	0.0	-73.20	399.58	1.15	-72.05
C[NH+](C)CC=CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030381364	0	46	0.0	-81.67	380.34	3.98	-77.69
CC(OCC[NH+](C)C)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030381394	0	52	0.0	-77.83	416.84	4.40	-73.43
C[NH+](C)CCOCCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030381406	0	52	0.0	-77.45	421.45	3.59	-73.86
COCCN(C)CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030381407	0	49	0.0	-74.25	393.85	2.58	-71.67
COCC[N@H+](C)CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030381407	1	49	0.0	-74.88	394.07	2.58	-72.30
COCC[N@@H+](C)CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030381407	1	49	0.0	-74.88	394.07	2.58	-72.30
COCCCC[N@H+](C)CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030381440	0	58	0.0	-82.85	461.39	4.61	-78.24
COCCCC[N@@H+](C)CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030381440	1	58	0.0	-82.85	461.39	4.61	-78.24
C[NH+](C)C1(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCCC1	REAL300030381466	0	52	0.0	-76.65	385.84	4.32	-72.33
CC(CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030381469	0	51	0.0	-81.38	398.26	4.52	-76.86
CC[N@@H+]1CCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030381480	0	46	0.0	-72.61	366.41	3.35	-69.26
CC(C)[N@@H+]1CCCC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030381495	0	55	0.0	-74.84	418.85	5.35	-69.49
CC(C)[N@H+]1CCCC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030381495	1	55	0.0	-74.84	418.85	5.35	-69.49
CC(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300030381502	0	55	0.0	-74.51	438.00	6.73	-67.78
O=C(C[N@H+]1CCCC1CO)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030381511	0	50	0.0	-75.26	394.28	0.84	-74.42
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CC4CCCC[N@@H+]4C3)C2)C1	REAL300030381541	0	53	0.0	-73.95	411.24	5.48	-68.47
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CC4CCCC[N@H+]4C3)C2)C1	REAL300030381541	1	53	0.0	-73.95	411.24	5.48	-68.47
C[NH+]1CCC(C)(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030381551	0	52	0.0	-76.56	395.43	4.39	-72.17
C=CCC(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030381597	0	49	0.0	-75.10	389.97	4.40	-70.70
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030381617	0	52	0.0	-73.25	407.49	4.97	-68.28
C[N@H+]1CC(C)(C)CC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030381617	1	52	0.0	-73.25	407.49	4.97	-68.28
C[NH+](C)CCCCCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030381622	0	54	0.0	-76.96	430.57	5.66	-71.30
O=C(C[NH+]1CC2CC2C1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030381633	0	47	0.0	-73.86	379.46	4.62	-69.24
CC1C[N@@H+]2CCN1C(C(=O)N1CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300030381674	0	52	0.0	-74.52	386.83	2.63	-71.89
CCCC(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030381675	0	51	0.0	-75.27	397.47	4.63	-70.64
C[NH+](C)C(C)(C)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030381680	0	48	0.0	-80.25	367.05	3.85	-76.40
CC[NH+](CC)CCSCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030381723	0	55	0.0	-80.67	447.22	6.10	-74.57
C[N@@H+]1CCCCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030381735	0	49	0.0	-72.29	374.00	3.93	-68.36
C[N@H+]1CC=C(CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030381791	0	50	0.0	-73.29	402.69	5.06	-68.23
C[N@@H+]1CC=C(CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030381791	1	50	0.0	-73.29	402.69	5.06	-68.23
O=C(CC1([NH+]2CCCC2)CC1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030381803	0	53	0.0	-73.65	409.73	5.53	-68.12
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030381862	0	58	0.0	-76.63	428.32	5.42	-71.21
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030381862	1	58	0.0	-76.63	428.32	5.42	-71.21
CN(C)CC1=CC=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300030381867	0	49	0.0	-84.84	406.01	4.42	-80.42
C[NH+](C)CC1=CC=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300030381867	1	49	0.0	-84.84	406.01	4.42	-80.42
O=C(C=CC[NH+]1CCCC1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030381891	0	50	0.0	-80.54	406.68	5.19	-75.35
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CC[NH+](C4CC4)CC3)C2)C1	REAL300030381920	0	53	0.0	-76.42	410.53	5.38	-71.04
O=C(CC[NH+]1CCCC1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030381949	0	49	0.0	-77.71	392.95	4.52	-73.19
C[N@@H+]1CC2CC1(C(=O)N1CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300030382015	0	47	0.0	-76.50	368.86	3.84	-72.66
O=C(C[N@@H+]1CC2CCC1C2)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030382031	0	50	0.0	-71.49	387.58	4.61	-66.88
O=C(C[N@H+]1CC2CCC1C2)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030382031	1	50	0.0	-71.49	387.58	4.61	-66.88
CC(C)[NH+]1CCC(CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030382045	0	58	0.0	-74.60	438.46	6.12	-68.48
O=C(C=C1C[NH+]2CCC1CC2)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030382097	0	51	0.0	-72.93	400.77	5.18	-67.75
O=C(CN1CC2C=CC1C2)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030382111	0	48	0.0	-74.25	384.10	4.77	-69.48
O=C(C[N@@H+]1CC2C=CC1C2)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030382111	1	48	0.0	-72.67	383.57	4.65	-68.02
O=C(C[N@H+]1CC2C=CC1C2)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030382111	1	48	0.0	-72.67	383.57	4.65	-68.02
C[NH+](C)CC(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=CC=C1	REAL300030382152	0	55	0.0	-84.44	438.60	6.65	-77.79
CC(C[NH+](C)C)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030382181	0	48	0.0	-78.91	384.52	3.94	-74.97
C[N@@H+]1CCCCC1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030382286	0	52	0.0	-79.32	403.76	4.98	-74.34
C[N@H+]1CCCCC1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030382286	1	52	0.0	-79.32	403.76	4.98	-74.34
CC1=C2C=C(C(=O)N3CC(C4CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C=CN2C=N1	REAL300030382309	0	47	0.0	-81.53	392.49	6.42	-75.11
CC1=C2C=C(C(=O)N3CC(C4CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C=CN2C=[NH+]1	REAL300030382309	1	47	0.0	-81.53	392.49	6.42	-75.11
CC1CC[N@@H+]1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030382314	0	46	0.0	-74.91	375.81	3.91	-71.00
C[NH+](C)CC(O)CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030382319	0	49	0.0	-82.12	397.23	1.86	-80.26
CC1CN(C)CC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300030382358	0	50	0.0	-89.64	400.83	3.88	-85.76
CC1C[N@H+](C)CC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300030382358	1	50	0.0	-90.48	393.33	3.49	-86.99
CC1C[N@@H+](C)CC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300030382358	1	50	0.0	-90.48	393.33	3.49	-86.99
O=C(CC[NH+]1CCC(O)CC1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030382371	0	53	0.0	-78.85	418.80	1.84	-77.01
CCC[N@@H+]1CCCCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030382374	0	55	0.0	-73.03	412.47	5.43	-67.60
CCC[N@H+]1CCCCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030382374	1	55	0.0	-73.03	412.47	5.43	-67.60
CC[NH+]1CCN(CCC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030382379	0	57	0.0	-79.09	443.23	3.46	-75.63
CCN1CC[NH+](CCC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030382379	1	57	0.0	-79.09	443.23	3.46	-75.63
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2)C1	REAL300030382382	0	56	0.0	-68.29	415.95	5.97	-62.32
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2)C1	REAL300030382382	1	56	0.0	-68.29	415.95	5.97	-62.32
CC(C)C[NH+]1CCC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030382432	0	58	0.0	-78.33	442.19	6.26	-72.07
C[NH+](C)C1CCN(CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030382460	0	57	0.0	-77.22	437.96	3.48	-73.74
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030382483	0	49	0.0	-78.25	394.14	4.50	-73.75
CC(CC[NH+](C)C)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030382491	0	51	0.0	-79.04	406.18	4.57	-74.47
C[N@H+](CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[C@@H]1CCC[C@H]1O	REAL300030382525	0	53	0.0	-72.29	413.87	1.99	-70.30
C#CCN1CCCCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030382535	0	51	0.0	-73.22	411.21	5.56	-67.66
C#CC[N@H+]1CCCCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030382535	1	51	0.0	-70.97	410.32	5.48	-65.49
C#CC[N@@H+]1CCCCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030382535	1	51	0.0	-70.97	410.32	5.48	-65.49
CN1CCN(CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030382542	0	51	0.0	-77.22	403.64	2.27	-74.95
C[NH+]1CCN(CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030382542	1	51	0.0	-77.22	403.64	2.27	-74.95
NC(=[NH2+])SCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030382588	0	40	0.0	-79.14	352.54	-0.25	-79.39
CC[N@H+]1CCOCC1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030382636	1	53	0.0	-78.58	408.21	3.10	-75.48
C[NH+](C)CCC1(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCCC1	REAL300030382655	0	58	0.0	-80.43	438.34	5.93	-74.50
CC1CCCC(C)[NH+]1CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030382657	0	58	0.0	-72.60	434.30	5.85	-66.75
C[NH+](C)C1CCC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030382660	0	55	0.0	-72.21	413.40	5.19	-67.02
C[NH+](C)CCC1(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030382661	0	52	0.0	-78.15	415.93	5.18	-72.97
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030382665	0	55	0.0	-72.98	412.84	5.16	-67.82
C[N@@H+]1CC=CCC1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030382666	0	50	0.0	-80.24	395.74	4.85	-75.39
C[N@H+]1CC=CCC1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030382666	1	50	0.0	-77.60	394.69	4.78	-72.82
C[C@@H](OCC[NH+](C)C)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030382698	0	52	0.0	-74.99	415.69	4.41	-70.58
C[NH+]1C2CCC1CC(C(=O)N1CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300030382733	0	53	0.0	-73.23	380.86	4.90	-68.33
CC(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCSCC1	REAL300030382896	1	50	0.0	-74.97	396.87	4.47	-70.50
CCC1C[NH+](CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030382899	0	49	0.0	-75.05	396.40	4.59	-70.46
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3C[NH+](C4CCOCC4)C3)C2)C1	REAL300030382901	0	54	0.0	-82.37	427.90	3.75	-78.62
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3([NH+]4CCCC4)CCC3)C2)C1	REAL300030382903	0	53	0.0	-76.95	404.18	5.14	-71.81
C[N@@H+]1CCC[C@H]1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030382914	0	46	0.0	-71.20	369.23	3.68	-67.52
C[N@H+]1CCC[C@H]1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030382914	1	46	0.0	-75.75	363.53	3.26	-72.49
O=C(CC[N@H+]1CCC(F)C1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030382924	0	49	0.0	-80.64	397.83	4.54	-76.10
O=C(CC[N@@H+]1CCC(F)C1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030382924	1	49	0.0	-82.91	398.97	4.59	-78.32
COC1C[N@H+](C)C(C)(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030382933	0	53	0.0	-78.73	407.04	2.80	-75.93
COC1C[N@@H+](C)C(C)(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030382933	1	53	0.0	-76.93	405.40	2.96	-73.97
O=C(CC[NH+]1CCCCCC1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030382946	0	55	0.0	-79.55	418.60	5.41	-74.14
O=C(C[NH+]1CCCCC1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030382949	0	49	0.0	-75.61	386.36	4.66	-70.95
CC1C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300030382959	0	49	0.0	-76.29	387.31	4.21	-72.08
CC1C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300030382959	1	49	0.0	-76.26	380.37	4.07	-72.19
C[N@@H+]1CCCCC1CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030382962	0	55	0.0	-74.06	424.90	5.65	-68.41
C[N@H+]1CCCCC1CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030382962	1	55	0.0	-80.71	418.48	5.62	-75.09
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CC[N@@H+]4CCOCC34)C2)C1	REAL300030383000	0	51	0.0	-78.56	401.95	2.94	-75.62
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CC[N@H+]4CCOCC34)C2)C1	REAL300030383000	1	51	0.0	-79.05	400.06	2.93	-76.12
CC1=[NH+]C=C2C=CC(C(=O)N3CC(C4CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)=CN21	REAL300030383008	0	47	0.0	-72.66	390.71	5.58	-67.08
C[N@@H+]1CCOCC1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030383031	1	50	0.0	-83.10	395.13	2.61	-80.49
C[N@H+]1CCOCC1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030383031	1	50	0.0	-83.12	395.13	2.61	-80.51
CC1=C(C)[NH+]=C(CCC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)N1	REAL300030383043	1	50	0.0	-72.21	414.86	4.08	-68.13
C[NH+](C)CCC1=CC=CC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300030383055	0	55	0.0	-81.57	441.03	6.66	-74.91
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CC[N@@H+]3CC3=CC=CC=C3)C2)C1	REAL300030383059	1	53	0.0	-77.07	435.23	6.74	-70.33
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CC[N@H+]3CC3=CC=CC=C3)C2)C1	REAL300030383059	1	53	0.0	-77.63	434.95	6.71	-70.92
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030383063	0	58	0.0	-68.94	435.97	6.49	-62.45
CC(C)C[N@H+]1CCCC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030383063	1	58	0.0	-75.88	436.16	6.24	-69.64
C[N@@H+]1CCCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030383231	0	46	0.0	-73.47	362.77	3.21	-70.26
C[N@H+]1CCCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030383231	1	46	0.0	-71.47	367.27	3.68	-67.79
C[N@@H+]1CCOC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030383257	1	47	0.0	-78.29	369.57	2.88	-75.41
C[N@H+]1CCOC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030383257	1	47	0.0	-78.59	371.24	2.96	-75.63
CC1=[NH+]C=CN1CCCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030383430	1	50	0.0	-72.84	414.68	5.66	-67.18
O=C(CCCC[NH+]1CCOCC1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030383434	1	56	0.0	-79.33	441.97	4.34	-74.99
C[NH+](C)CC1=CC=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=C1	REAL300030383440	0	52	0.0	-83.57	417.16	5.76	-77.81
O=C(CC[NH+]1CCOCC1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030383441	1	50	0.0	-80.94	399.89	2.82	-78.12
C[NH+](C)C(C)(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=CC=C1	REAL300030383461	0	55	0.0	-78.70	416.87	6.71	-71.99
CCC[NH+](CCC)CCCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030383469	0	60	0.0	-75.81	466.27	6.97	-68.84
CC[N@H+](C)C(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=CC=C1	REAL300030383470	0	55	0.0	-71.57	436.00	6.80	-64.77
CC[N@@H+](C)C(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=CC=C1	REAL300030383470	1	55	0.0	-70.76	437.08	6.85	-63.91
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C34CCC[NH+]3CCC4)C2)C1	REAL300030383488	0	50	0.0	-69.73	383.41	4.31	-65.42
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC4=C[NH+]=CN4C=C3)C2)C1	REAL300030383506	1	44	0.0	-83.37	370.60	5.85	-77.52
C[NH+](C)C1CCCC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030383586	0	55	0.0	-74.97	419.94	5.36	-69.61
C[N@@H+]1CCC(CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030383593	0	49	0.0	-79.21	391.30	4.34	-74.87
C[N@H+]1CCC(CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030383593	1	49	0.0	-77.37	390.04	4.35	-73.02
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030383607	0	48	0.0	-81.20	392.56	2.92	-78.28
CCC(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030383613	0	48	0.0	-74.62	375.49	3.89	-70.73
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=NN(C4=CC=[NH+]C=C4)C=C3)C2)C1	REAL300030383623	1	47	0.0	-84.19	401.16	4.22	-79.97
CC1CC2CCC(C(=O)N3CC(C4CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C[N@@H+]2C1	REAL300030383675	0	56	0.0	-75.14	430.27	5.87	-69.27
CC1CC2CCC(C(=O)N3CC(C4CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C[N@H+]2C1	REAL300030383675	1	56	0.0	-72.89	429.24	5.84	-67.05
C[NH+](C)CCCCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030383713	0	51	0.0	-77.38	409.07	4.88	-72.50
CC(C)C(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030383737	0	51	0.0	-73.83	388.80	4.33	-69.50
CCC[N@H+](C)CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030383739	0	51	0.0	-79.05	406.21	4.76	-74.29
CCC[N@@H+](C)CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030383739	1	51	0.0	-78.99	406.22	4.76	-74.23
CCC[N@H+](C)CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030383746	0	48	0.0	-74.28	382.82	4.15	-70.13
CCC[N@@H+](C)CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030383746	1	48	0.0	-74.11	382.96	4.16	-69.95
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C34CC[N@H+](C3)CCC4)C2)C1	REAL300030383777	0	50	0.0	-82.44	378.04	3.69	-78.75
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C34CC[N@@H+](C3)CCC4)C2)C1	REAL300030383777	1	50	0.0	-78.59	381.22	3.75	-74.84
CCCCCC[N@H+](C)CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030383831	0	57	0.0	-75.30	447.45	6.50	-68.80
CCCCCC[N@@H+](C)CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030383831	1	57	0.0	-75.33	447.46	6.50	-68.83
CC[NH+](CC)C(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C(C)C	REAL300030383842	0	57	0.0	-69.58	419.49	5.59	-63.99
CC1CC[NH+](CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030383887	0	52	0.0	-76.37	407.19	5.27	-71.10
O=C(C1=CN(C2=CC=[NH+]C=C2)N=C1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030383919	1	47	0.0	-84.21	399.07	3.89	-80.32
C[NH+]1CCC(OCC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030383929	0	53	0.0	-83.85	424.54	4.94	-78.91
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CC4CCCC[N@@H+]4C3)C2)C1	REAL300030384002	0	53	0.0	-78.62	410.13	5.45	-73.17
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CC4CCCC[N@H+]4C3)C2)C1	REAL300030384002	1	53	0.0	-73.95	411.24	5.48	-68.47
C[NH+](C)CC1(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030384018	0	49	0.0	-74.01	394.78	4.43	-69.58
CC1=[NH+]C=C2CCC(C(=O)N3CC(C4CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)CN21	REAL300030384019	1	51	0.0	-72.11	412.61	5.34	-66.77
CC(C)[NH+]1CCC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030384031	0	55	0.0	-76.46	420.04	5.37	-71.09
CC[N@H+](C)CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030384071	0	48	0.0	-78.28	384.72	4.01	-74.27
CC[N@@H+](C)CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030384071	1	48	0.0	-78.24	384.72	4.01	-74.23
CC(C)(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCCCC1	REAL300030384107	0	55	0.0	-72.93	407.26	5.58	-67.35
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3C[NH+]4CCC3CC4)C2)C1	REAL300030384126	0	50	0.0	-80.30	383.32	4.43	-75.87
C[NH+]1CCC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030384228	0	49	0.0	-79.13	385.73	4.18	-74.95
CC(C)[C@H](C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030384251	0	51	0.0	-74.74	389.93	4.49	-70.25
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1	REAL300030384353	0	56	0.0	-79.09	434.87	6.39	-72.70
CC[NH+](CC)CC(F)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030384401	0	51	0.0	-78.73	406.84	4.74	-73.99
C[NH+](C)CC1=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)SC=C1	REAL300030384402	0	49	0.0	-67.68	405.42	5.12	-62.56
CC(C)C[N@@H+]1CCC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030384449	0	55	0.0	-78.84	429.04	5.67	-73.17
CC(C)C[N@H+]1CCC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030384449	1	55	0.0	-78.86	427.08	5.59	-73.27
C[NH+](C)C1(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCC1	REAL300030384453	0	49	0.0	-78.36	374.74	4.02	-74.34
CCC(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](CC)CC	REAL300030384492	0	54	0.0	-69.89	408.93	5.00	-64.89
CC1CCC[N@@H+]1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030384524	0	49	0.0	-70.85	382.23	4.11	-66.74
CC1CCC[N@H+]1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030384524	1	49	0.0	-73.35	389.38	4.54	-68.81
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030384623	1	53	0.0	-71.58	430.08	5.95	-65.63
CC(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCCCCC1	REAL300030384630	0	55	0.0	-72.19	414.75	5.20	-66.99
CC(C)[N@@H+]1CCCCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030384633	0	55	0.0	-68.53	416.24	5.20	-63.33
CC(C)[N@H+]1CCCCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030384633	1	55	0.0	-68.74	416.41	5.24	-63.50
CC(C)[N@@H+]1CCCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030384668	0	52	0.0	-71.80	394.69	5.08	-66.72
CC(C)[N@H+]1CCCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030384668	1	52	0.0	-74.20	395.80	5.29	-68.91
C[NH+](C)C(CN1C=CC=N1)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030384675	1	52	0.0	-80.75	415.44	4.46	-76.29
CC(C)[N@@H+]1CCCC1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030384681	0	55	0.0	-69.97	416.14	4.93	-65.04
CC(C)[N@H+]1CCCC1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030384681	1	55	0.0	-69.65	415.13	4.90	-64.75
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CCC[N@@H+]3C3CCCC3)C2)C1	REAL300030384682	0	56	0.0	-73.07	421.69	6.46	-66.61
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CCC[N@H+]3C3CCCC3)C2)C1	REAL300030384682	1	56	0.0	-73.99	429.84	6.13	-67.86
CC(C)[C@@H](C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030384709	0	51	0.0	-74.66	387.95	4.66	-70.00
CC1CC[N@H+](CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030384746	0	49	0.0	-75.43	390.62	4.53	-70.90
CC1CC[N@@H+](CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030384746	1	49	0.0	-73.16	388.91	4.40	-68.76
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030384747	0	55	0.0	-73.95	422.89	4.94	-69.01
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030384747	1	55	0.0	-72.80	425.26	5.04	-67.76
CC1=[NH+]C=C2CC(C(=O)N3CC(C4CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)CCN21	REAL300030384749	1	51	0.0	-72.90	410.31	5.30	-67.60
C[NH+](C)CCC1=CC=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=C1	REAL300030384751	0	55	0.0	-84.03	440.14	6.61	-77.42
CC1(C)CC[N@H+](CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030384753	0	52	0.0	-75.40	409.84	5.02	-70.38
CC1(C)CC[N@@H+](CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030384753	1	52	0.0	-75.49	410.11	5.04	-70.45
C[N@H+](CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC(C)(C)C	REAL300030384754	0	54	0.0	-74.03	411.57	5.12	-68.91
C[N@@H+](CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC(C)(C)C	REAL300030384754	1	54	0.0	-73.75	413.51	5.30	-68.45
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030384755	0	55	0.0	-78.08	442.86	7.18	-70.90
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030384755	1	55	0.0	-78.12	442.86	7.18	-70.94
CC[C@@H](C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030384767	0	48	0.0	-73.36	375.12	3.86	-69.50
CC(COCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCCC1	REAL300030384775	0	56	0.0	-73.47	442.34	5.54	-67.93
CN(CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=[NH+]C=C1	REAL300030384948	0	51	0.0	-74.59	419.35	4.46	-70.13
CC1=[NH+]C=CN1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030385081	1	44	0.0	-71.42	373.12	4.35	-67.07
CC(C[NH+]1CCOCC1)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030385083	0	53	0.0	-79.72	417.41	3.41	-76.31
O=C(CCC[NH+]1CCCCC1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030385105	0	55	0.0	-77.86	430.12	6.03	-71.83
C[NH+](C)CC1=CC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=NO1	REAL300030385128	1	48	0.0	-84.21	400.62	3.78	-80.43
CC1=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=CC2=C[NH+]=CN21	REAL300030385130	0	47	0.0	-77.32	396.24	6.46	-70.86
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030385184	1	50	0.0	-69.93	409.37	5.47	-64.46
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CCCC4CCC[N@@H+]43)C2)C1	REAL300030385241	0	53	0.0	-67.70	403.28	5.34	-62.36
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CCCC4CCC[N@H+]43)C2)C1	REAL300030385241	1	53	0.0	-69.85	395.24	4.95	-64.90
CC[N@@H+]1CCOC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030385279	1	50	0.0	-87.20	397.19	3.84	-83.36
CC[N@H+]1CCOC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030385279	1	50	0.0	-80.30	388.36	3.58	-76.72
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CN4C=[NH+]C=C4C=C3)C2)C1	REAL300030385364	0	44	0.0	-78.41	370.28	5.85	-72.56
CC1=C[NH+]=CN1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030385369	1	44	0.0	-74.12	373.48	5.09	-69.03
C[NH+](C)CCN1C=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=N1	REAL300030385375	0	52	0.0	-85.14	424.09	3.94	-81.20
C[NH+](C)CCN1C=CC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=N1	REAL300030385391	0	52	0.0	-85.82	426.15	4.29	-81.53
C[C@@H]1[C@H](C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300030385398	0	49	0.0	-76.33	380.83	4.05	-72.28
C[C@@H]1[C@H](C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300030385398	1	49	0.0	-77.15	386.31	3.97	-73.18
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030385401	1	53	0.0	-71.82	430.57	6.01	-65.81
CC[C@@H]1[C@@H](C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300030385404	0	52	0.0	-76.13	397.36	4.38	-71.75
CC[C@@H]1[C@@H](C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300030385404	1	52	0.0	-75.63	402.74	4.66	-70.97
CC1CCC(C)[NH+]1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030385429	0	52	0.0	-72.17	401.35	4.64	-67.53
O=C(CCC[NH+]1CCCC1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030385436	0	52	0.0	-77.65	414.45	5.33	-72.32
C[NH+](C)CC1=CC=CC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300030385437	0	52	0.0	-80.52	418.53	5.82	-74.70
C#CC[NH+]1CCC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030385445	0	51	0.0	-79.79	410.39	5.33	-74.46
O=C(CC[NH+]1CCCCC1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030385446	0	52	0.0	-77.56	408.61	5.23	-72.33
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030385451	0	52	0.0	-65.96	411.93	6.16	-59.80
CC[N@@H+]1CCCCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030385461	0	52	0.0	-70.12	402.80	4.93	-65.19
CC[N@H+]1CCCCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030385461	1	52	0.0	-69.91	403.08	4.94	-64.97
CC(C)C(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCCCC1	REAL300030385462	0	58	0.0	-70.39	430.63	6.30	-64.09
C[NH+](C)C(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=CC=C1	REAL300030385465	1	52	0.0	-74.47	419.23	6.26	-68.21
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030385474	1	51	0.0	-73.09	415.35	6.81	-66.28
C[NH+](C)CC1(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCCCC1	REAL300030385523	0	58	0.0	-80.05	421.52	6.29	-73.76
C[NH+](C)CCC1=CC=CC=C1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030385524	0	55	0.0	-69.21	432.24	6.60	-62.61
C[N@H+](CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCCCC1	REAL300030385530	0	58	0.0	-79.19	443.03	6.40	-72.79
C[N@@H+](CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCCCC1	REAL300030385530	1	58	0.0	-79.12	443.04	6.39	-72.73
C[NH+](C)C1(CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCCC1	REAL300030385533	0	55	0.0	-79.67	408.48	5.23	-74.44
C[N@H+](CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300030385795	0	49	0.0	-72.05	389.95	4.73	-67.32
C[N@@H+](CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300030385795	1	49	0.0	-72.29	389.85	4.71	-67.58
CC(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1C(C)CCC1C	REAL300030385832	0	55	0.0	-74.12	409.25	5.98	-68.14
O=C(CCCC[NH+]1CCCC1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030385852	0	55	0.0	-78.29	435.95	6.11	-72.18
C[N@H+](CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC1=CC=CC=C1	REAL300030385855	1	52	0.0	-78.23	420.38	6.34	-71.89
C[N@@H+](CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC1=CC=CC=C1	REAL300030385855	1	52	0.0	-78.23	420.44	6.34	-71.89
C[NH+]1CCC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030385873	0	49	0.0	-79.13	385.73	4.18	-74.95
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030385950	0	46	0.0	-73.46	362.75	3.22	-70.24
C[N@H+]1CCC[C@@H]1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030385950	1	46	0.0	-73.45	368.15	3.74	-69.71
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030385976	1	48	0.0	-73.93	390.11	4.55	-69.38
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030385976	1	48	0.0	-72.85	393.27	4.89	-67.96
C[N@@H+]1CCCC1CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030385986	0	52	0.0	-77.51	410.95	5.31	-72.20
C[N@H+]1CCCC1CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030385986	1	52	0.0	-77.39	407.34	5.07	-72.32
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1	REAL300030386000	0	53	0.0	-75.48	393.60	4.51	-70.97
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CCC4CCCC[N@@H+]43)C2)C1	REAL300030386008	0	53	0.0	-72.89	404.69	5.23	-67.66
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CCC4CCCC[N@H+]43)C2)C1	REAL300030386008	1	53	0.0	-69.43	410.81	5.59	-63.84
CCC[N@@H+]1CCCC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030386114	0	55	0.0	-68.93	418.66	5.73	-63.20
CCC[N@H+]1CCCC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030386114	1	55	0.0	-76.50	423.71	5.59	-70.91
CC(C)[N@@H+]1CCOC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030386138	0	53	0.0	-81.82	413.28	4.26	-77.56
CC(C)[N@H+]1CCOC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030386138	1	53	0.0	-81.39	411.11	4.22	-77.17
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030386159	0	56	0.0	-76.87	416.90	3.43	-73.44
C[N@@H+]1CCCCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030386180	0	49	0.0	-72.89	386.33	4.37	-68.52
C[N@H+]1CCCCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030386180	1	49	0.0	-72.29	374.00	3.93	-68.36
CC(C)C[N@@H+]1CCCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030386215	0	55	0.0	-71.08	425.59	5.80	-65.28
CC(C)C[N@H+]1CCCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030386215	1	55	0.0	-74.26	422.52	5.38	-68.88
O=C(C[NH+]1CCC(CO)CC1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030386236	0	53	0.0	-79.13	418.02	1.96	-77.17
C[NH+]1C2CCC1CC(=CC(=O)N1CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300030386278	0	54	0.0	-76.36	417.25	5.79	-70.57
CC1C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300030386300	0	49	0.0	-76.29	387.31	4.21	-72.08
CC1C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300030386300	1	49	0.0	-76.26	380.37	4.07	-72.19
C[N@@H+]1CCCCC1CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030386304	0	55	0.0	-74.06	424.90	5.65	-68.41
C[N@H+]1CCCCC1CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030386304	1	55	0.0	-80.71	418.48	5.62	-75.09
NC1=[NH+]C2=C(C=C1C(=O)N1CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)CCC2	REAL300030386349	1	49	0.0	-69.28	397.59	3.61	-65.67
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030386441	0	52	0.0	-71.20	404.98	4.51	-66.69
CC(C)(C)[N@H+]1CCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030386441	1	52	0.0	-73.30	406.13	4.53	-68.77
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CCN(C4=CC=[NH+]C=C4)C3)C2)C1	REAL300030386461	0	52	0.0	-76.66	417.44	3.17	-73.49
C[C@@H](C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030386466	0	45	0.0	-73.03	361.14	3.10	-69.93
C[NH+](C)CC1=CC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC=N1	REAL300030386488	1	51	0.0	-77.39	414.56	4.00	-73.39
C=CCC(C)(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030386494	0	52	0.0	-81.54	393.83	4.98	-76.56
CC[NH+](CC)CCSCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030386528	0	55	0.0	-80.67	447.22	6.10	-74.57
NC1=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=[NH+]C2=CC=CC=C21	REAL300030386529	1	48	0.0	-70.11	392.90	2.97	-67.14
O=C(CC[NH+]1CCCC1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030386534	0	49	0.0	-77.71	392.95	4.52	-73.19
C[N@H+](CCO)CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030386544	1	46	0.0	-74.82	371.81	0.17	-74.65
C[N@@H+](CCO)CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030386544	1	46	0.0	-74.54	371.60	0.18	-74.36
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3C[N@@H+]4CCN3CCC4)C2)C1	REAL300030386590	0	52	0.0	-83.78	392.50	2.07	-81.71
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3C[N@H+]4CCN3CCC4)C2)C1	REAL300030386590	1	52	0.0	-80.54	391.59	2.03	-78.51
CC(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCSCC1	REAL300030386627	1	50	0.0	-74.97	396.87	4.47	-70.50
C[N@H+]1CC=C(CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030386682	0	50	0.0	-76.08	403.74	5.12	-70.96
C[N@@H+]1CC=C(CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030386682	1	50	0.0	-73.29	402.69	5.06	-68.23
C[S+](C)CCC(O)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030386702	0	48	0.0	-83.82	404.95	2.35	-81.47
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030386730	0	50	0.0	-78.95	383.76	0.66	-78.29
C[N@H+]1CC(O)CC1(C)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030386730	1	50	0.0	-80.64	385.00	0.44	-80.20
CN1CC[N@H+](C)CC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030386748	0	54	0.0	-72.50	412.95	2.71	-69.79
CN1CC[N@@H+](C)CC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030386748	1	54	0.0	-74.68	413.11	2.28	-72.40
CC(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[N@@H+]1CCCC(O)C1	REAL300030386749	0	53	0.0	-75.96	414.81	1.66	-74.30
CC(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[N@H+]1CCCC(O)C1	REAL300030386749	1	53	0.0	-72.88	415.59	1.67	-71.21
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030386786	0	49	0.0	-75.30	405.18	3.60	-71.70
C[N@@H+]1CCCC(O)(CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030386794	0	53	0.0	-76.04	411.99	3.26	-72.78
C[N@H+]1CCCC(O)(CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030386794	1	53	0.0	-70.73	414.03	3.14	-67.59
CC1C[NH+](CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030386801	1	46	0.0	-74.24	375.03	3.84	-70.40
CC[N@@H+]1CCCC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030386809	0	52	0.0	-68.66	397.17	4.99	-63.67
CC[N@H+]1CCCC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030386809	1	52	0.0	-70.03	398.21	5.04	-64.99
NC1=[NH+]C=CC=C1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030386823	0	45	0.0	-71.35	377.97	2.56	-68.79
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CCC[N@@H+]3C3CC3)C2)C1	REAL300030386839	0	50	0.0	-71.46	399.28	5.20	-66.26
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CCC[N@H+]3C3CC3)C2)C1	REAL300030386839	1	50	0.0	-74.39	393.79	4.66	-69.73
O=C(C=CC[NH+]1CCCC1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030386902	0	50	0.0	-80.54	406.68	5.19	-75.35
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CC[NH+](C4CC4)CC3)C2)C1	REAL300030386934	0	53	0.0	-76.42	410.53	5.38	-71.04
CC[N@H+](C)CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030386992	0	45	0.0	-73.86	361.46	3.42	-70.44
O=C(CN1CC2C=CC1C2)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030387071	0	48	0.0	-74.25	384.10	4.77	-69.48
O=C(C[N@@H+]1CC2C=CC1C2)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030387071	1	48	0.0	-72.67	383.57	4.65	-68.02
O=C(C[N@H+]1CC2C=CC1C2)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030387071	1	48	0.0	-72.67	383.57	4.65	-68.02
CC1=CC=C(NCCC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)N=C1	REAL300030387096	0	51	0.0	-73.08	423.49	4.20	-68.88
CC1=CC=C(NCCC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)[NH+]=C1	REAL300030387096	1	51	0.0	-73.08	423.49	4.20	-68.88
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C34CCC[N@@H+]3CCCC4)C2)C1	REAL300030387241	0	53	0.0	-71.63	396.34	4.91	-66.72
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C34CCC[N@H+]3CCCC4)C2)C1	REAL300030387241	1	53	0.0	-71.63	396.34	4.91	-66.72
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C34CCC[N@@H+]3CC=CC4)C2)C1	REAL300030387253	0	51	0.0	-69.66	389.31	4.74	-64.92
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C34CCC[N@H+]3CC=CC4)C2)C1	REAL300030387253	1	51	0.0	-69.66	389.31	4.74	-64.92
CC(OCC[NH+](C)C)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030387267	0	52	0.0	-77.83	416.84	4.40	-73.43
C[NH+](C)CCOCCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030387280	0	52	0.0	-77.45	421.45	3.59	-73.86
COCCN(C)CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030387282	0	49	0.0	-74.25	393.85	2.58	-71.67
COCC[N@H+](C)CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030387282	1	49	0.0	-74.88	394.07	2.58	-72.30
COCC[N@@H+](C)CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030387282	1	49	0.0	-74.88	394.07	2.58	-72.30
CC(CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030387289	0	51	0.0	-81.38	398.26	4.52	-76.86
CC[N@H+](CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300030387332	0	49	0.0	-71.16	389.76	4.75	-66.41
CC1C[N@@H+]2CCN1C(C(=O)N1CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300030387352	0	52	0.0	-74.52	386.83	2.63	-71.89
C[N@@H+]1CC2CC1(C(=O)N1CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300030387391	0	47	0.0	-76.50	368.86	3.84	-72.66
CC1=NC(N)=CC=C1C=CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030387403	0	49	0.0	-74.32	408.42	3.39	-70.93
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030387403	1	49	0.0	-74.32	408.42	3.39	-70.93
O=C(C[N@@H+]1CC2CCC1C2)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030387412	0	50	0.0	-71.49	387.58	4.61	-66.88
O=C(C[N@H+]1CC2CCC1C2)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030387412	1	50	0.0	-71.49	387.58	4.61	-66.88
CC(C)[NH+]1CCC(CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030387430	0	58	0.0	-74.60	438.46	6.12	-68.48
CC(C[NH+](C)C)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030387446	0	48	0.0	-78.91	384.52	3.94	-74.97
CC[N@@H+]1CCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030387514	0	46	0.0	-72.61	366.41	3.35	-69.26
CC(C)[N@@H+]1CCCC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030387532	0	55	0.0	-74.84	418.85	5.35	-69.49
CC(C)[N@H+]1CCCC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030387532	1	55	0.0	-74.84	418.85	5.35	-69.49
CCC(C)(C)[NH2+]C(C)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030387560	0	54	0.0	-74.39	410.24	3.44	-70.95
C#CCN1CCCCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030387620	0	51	0.0	-73.22	411.21	5.56	-67.66
C#CC[N@H+]1CCCCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030387620	1	51	0.0	-70.97	410.32	5.48	-65.49
C#CC[N@@H+]1CCCCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030387620	1	51	0.0	-70.97	410.32	5.48	-65.49
CNC1=NC(C)=CC=C1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030387624	0	48	0.0	-68.52	391.40	3.39	-65.13
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030387624	1	48	0.0	-68.52	391.40	3.39	-65.13
CCCC(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030387638	0	51	0.0	-75.27	397.47	4.63	-70.64
C[NH+](C)C(C)(C)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030387646	0	48	0.0	-80.25	367.05	3.85	-76.40
CC(CC[NH+](C)C)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030387673	0	51	0.0	-79.04	406.18	4.57	-74.47
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2)C1	REAL300030387742	0	56	0.0	-68.29	415.95	5.97	-62.32
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2)C1	REAL300030387742	1	56	0.0	-68.29	415.95	5.97	-62.32
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)C2)C1	REAL300030387783	0	51	0.0	-76.65	393.33	5.69	-70.96
COCCCC[N@H+](C)CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030387835	0	58	0.0	-82.85	461.39	4.61	-78.24
COCCCC[N@@H+](C)CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030387835	1	58	0.0	-82.85	461.39	4.61	-78.24
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030387847	0	52	0.0	-74.29	403.97	4.44	-69.85
C[N@H+]1CC(C)(C)CC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030387847	1	52	0.0	-73.25	407.49	4.97	-68.28
C[NH+](C)CCCCCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030387853	0	54	0.0	-76.96	430.57	5.66	-71.30
O=C(CC[NH+]1CCC(O)CC1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030387859	0	53	0.0	-78.85	418.80	1.84	-77.01
CCC[N@@H+]1CCCCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030387865	0	55	0.0	-71.09	411.72	5.33	-65.76
CCC[N@H+]1CCCCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030387865	1	55	0.0	-73.03	412.47	5.43	-67.60
CC[NH+]1CCN(CCC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030387876	0	57	0.0	-76.18	441.83	3.37	-72.81
CCN1CC[NH+](CCC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030387876	1	57	0.0	-79.09	443.23	3.46	-75.63
C[NH+]1CCN(CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030387880	1	51	0.0	-77.22	403.64	2.27	-74.95
CC(C)C[NH+]1CCC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030388023	0	58	0.0	-78.33	442.19	6.26	-72.07
CC1C[N@H+](C)CC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300030388026	1	50	0.0	-89.64	400.83	3.88	-85.76
CC1C[N@@H+](C)CC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300030388026	1	50	0.0	-90.48	393.33	3.49	-86.99
CCC1CCC[N@H+](CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030388068	0	55	0.0	-72.95	416.93	5.41	-67.54
CCC1CCC[N@@H+](CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030388068	1	55	0.0	-76.38	418.51	5.87	-70.51
C[NH+](C)CC1=CC=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)N1	REAL300030388079	0	50	0.0	-84.84	405.95	4.16	-80.68
O=C(C[NH+]1CC2CC2C1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030388104	0	47	0.0	-73.86	379.46	4.62	-69.24
O=C(CC1([NH+]2CCCC2)CC1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030388127	0	53	0.0	-73.65	409.73	5.53	-68.12
CC([NH2+]C1(CO)CCCC1)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030388150	0	56	0.0	-73.78	430.44	0.88	-72.90
C[N@@H+]1CCCCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030388187	0	49	0.0	-72.89	386.33	4.37	-68.52
C[N@H+]1CCCCC1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030388187	1	49	0.0	-72.29	374.00	3.93	-68.36
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CC[N@@H+]3CC3=CC=CC=C3)C2)C1	REAL300030388195	1	53	0.0	-77.07	435.23	6.74	-70.33
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CC[N@H+]3CC3=CC=CC=C3)C2)C1	REAL300030388195	1	53	0.0	-77.63	434.95	6.71	-70.92
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030388202	0	58	0.0	-68.94	435.97	6.49	-62.45
CC(C)C[N@H+]1CCCC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030388202	1	58	0.0	-75.88	436.16	6.24	-69.64
C[NH+](C)C1CCN(CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030388277	0	57	0.0	-77.22	437.96	3.48	-73.74
C[N@@H+]1CCC(=CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030388359	0	47	0.0	-78.71	382.14	4.33	-74.38
C[N@H+]1CCC(=CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030388359	1	47	0.0	-80.57	383.20	4.32	-76.25
O=C(CNC1=CC=[NH+]C=C1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030388367	0	45	0.0	-74.67	379.42	2.01	-72.66
CC[NH+]1CCN(CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030388440	0	54	0.0	-75.98	421.38	2.95	-73.03
O=C(C=C1C[NH+]2CCC1CC2)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030388443	0	51	0.0	-72.93	400.77	5.18	-67.75
C[NH+](C)C1(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCCC1	REAL300030388499	0	52	0.0	-76.65	385.84	4.32	-72.33
C[N@H+](CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[C@@H]1CCC[C@H]1O	REAL300030388516	0	53	0.0	-70.21	414.22	2.13	-68.08
C[N@@H+](CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[C@@H]1CCC[C@H]1O	REAL300030388516	1	53	0.0	-72.29	413.87	1.99	-70.30
CCC1C[NH+](CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030388524	0	49	0.0	-75.05	396.40	4.59	-70.46
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3C[NH+](C4CCOCC4)C3)C2)C1	REAL300030388528	0	54	0.0	-82.37	427.90	3.75	-78.62
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3([NH+]4CCCC4)CCC3)C2)C1	REAL300030388531	0	53	0.0	-76.95	404.18	5.14	-71.81
C[N@@H+]1CCC[C@H]1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030388548	0	46	0.0	-71.20	369.23	3.68	-67.52
C[N@H+]1CCC[C@H]1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030388548	1	46	0.0	-75.75	363.53	3.26	-72.49
CC[N@@H+]1CCOCC1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030388590	0	53	0.0	-78.58	408.21	3.10	-75.48
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC(=O)NC4=C3CCC[NH2+]4)C2)C1	REAL300030388599	0	50	0.0	-93.12	411.15	2.17	-90.95
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3C[NH+](C4CCCCC4)C3)C2)C1	REAL300030388619	0	56	0.0	-80.05	436.62	6.14	-73.91
COC1C[N@@H+]2CCCC2(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030388641	0	54	0.0	-75.00	418.06	3.33	-71.67
COC1C[N@H+]2CCCC2(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030388641	1	54	0.0	-75.00	418.06	3.33	-71.67
NC1=NC2=CC(C(=O)N3CC(C4CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)=CC=C2N1	REAL300030388718	0	46	0.0	-80.11	384.51	3.59	-76.52
NC1=[NH+]C2=CC(C(=O)N3CC(C4CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)=CC=C2N1	REAL300030388718	1	46	0.0	-80.11	384.51	3.59	-76.52
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030388774	0	49	0.0	-78.25	394.14	4.50	-73.75
C[NH+](C)CCC1(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCCC1	REAL300030388787	0	58	0.0	-80.43	438.34	5.93	-74.50
CC1CCCC(C)[NH+]1CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030388789	0	58	0.0	-72.60	434.30	5.85	-66.75
C[NH+](C)C1CCC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030388792	0	55	0.0	-72.21	413.40	5.19	-67.02
C[NH+](C)CCC1(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030388793	0	52	0.0	-78.15	415.93	5.18	-72.97
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030388798	0	55	0.0	-72.98	412.84	5.16	-67.82
C[N@@H+]1CC=CCC1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030388799	0	50	0.0	-80.24	395.74	4.85	-75.39
C[N@H+]1CC=CCC1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030388799	1	50	0.0	-77.60	394.69	4.78	-72.82
CC1=CC(C=CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C[NH+]=C1N	REAL300030388872	1	49	0.0	-80.11	409.53	3.73	-76.38
C[NH+](C)CCOCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030388889	0	49	0.0	-77.10	400.50	3.89	-73.21
CCCCC[N@H+](C)CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030388896	0	57	0.0	-80.02	449.21	6.32	-73.70
CCCCC[N@@H+](C)CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030388896	1	57	0.0	-79.97	449.21	6.32	-73.65
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300030388911	0	53	0.0	-76.09	420.29	4.66	-71.43
[NH2+]=C1SC=CN1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030388946	0	42	0.0	-70.88	370.79	2.92	-67.96
C[C@@H](OCC[NH+](C)C)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030389049	0	52	0.0	-74.99	415.69	4.41	-70.58
O=C(CC[NH+]1CCCCCC1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030389132	0	55	0.0	-79.55	418.60	5.41	-74.14
C[N@@H+]1CCCC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030389139	0	49	0.0	-76.33	379.58	4.15	-72.18
C[N@H+]1CCCC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030389139	1	49	0.0	-76.33	379.58	4.15	-72.18
O=C(C[NH+]1CCCCCC1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030389147	0	52	0.0	-75.20	395.69	4.85	-70.35
CN1C=C[N+](CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300030389154	0	44	0.0	-72.45	374.96	6.25	-66.20
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030389175	0	58	0.0	-76.63	428.32	5.42	-71.21
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030389175	1	58	0.0	-76.63	428.32	5.42	-71.21
CN(C)CC1=CC=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300030389181	0	49	0.0	-84.84	406.01	4.42	-80.42
C[NH+](C)CC1=CC=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300030389181	1	49	0.0	-84.84	406.01	4.42	-80.42
O=C(CN1CCC(O)CC1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030389211	0	50	0.0	-80.57	397.43	1.31	-79.26
O=C(C[NH+]1CCC(O)CC1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030389211	1	50	0.0	-80.57	397.43	1.31	-79.26
C[N@H+](CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300030389218	0	46	0.0	-73.72	374.04	4.20	-69.52
CC(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)N1CCN(C)CC1	REAL300030389220	0	54	0.0	-75.41	416.38	2.53	-72.88
CC(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)N1CC[NH+](C)CC1	REAL300030389220	1	54	0.0	-75.41	416.38	2.53	-72.88
O=C(CC[N@H+]1CCC(F)C1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030389226	0	49	0.0	-82.91	398.97	4.59	-78.32
COC1C[N@H+](C)C(C)(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030389243	0	53	0.0	-76.93	405.40	2.96	-73.97
C[NH+](C)CCC1=CC=CC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300030389265	0	55	0.0	-81.57	441.03	6.66	-74.91
CC(CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300030389271	0	51	0.0	-78.75	401.81	4.80	-73.95
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CC[N@@H+]4CCOCC34)C2)C1	REAL300030389294	0	51	0.0	-79.05	400.06	2.93	-76.12
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CC[N@H+]4CCOCC34)C2)C1	REAL300030389294	1	51	0.0	-79.05	400.06	2.93	-76.12
CN1CCOCC1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030389327	0	50	0.0	-83.10	395.13	2.61	-80.49
C[N@@H+]1CCOCC1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030389327	1	50	0.0	-83.12	395.13	2.61	-80.51
C[N@H+]1CCOCC1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030389327	1	50	0.0	-83.12	395.13	2.61	-80.51
C[NH+](C)CC(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=CC=C1	REAL300030389337	0	55	0.0	-84.44	438.60	6.65	-77.79
CC1=CC(N)=NC=C1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030389417	0	45	0.0	-75.67	371.16	1.99	-73.68
CC1=CC(N)=[NH+]C=C1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030389417	1	45	0.0	-75.67	371.16	1.99	-73.68
CC1(O)CC[N@H+](CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030389488	0	50	0.0	-73.20	399.58	1.15	-72.05
C[NH+](C)CCN1N=CC=C1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030389499	0	52	0.0	-73.33	419.59	3.96	-69.37
C[NH+]1CC(CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030389539	0	46	0.0	-75.95	374.99	3.57	-72.38
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CC[N@@H+]3C3CCCC3)C2)C1	REAL300030389545	0	53	0.0	-74.52	409.49	5.20	-69.32
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CC[N@H+]3C3CCCC3)C2)C1	REAL300030389545	1	53	0.0	-74.52	409.49	5.20	-69.32
C[N@H+](CCO)CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030389602	0	49	0.0	-77.84	395.06	0.78	-77.06
C[N@@H+](CCO)CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030389602	1	49	0.0	-77.84	395.06	0.78	-77.06
C[N@@H+]1CCCCC1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030389631	0	52	0.0	-79.32	403.76	4.98	-74.34
C[N@H+]1CCCCC1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030389631	1	52	0.0	-79.32	403.76	4.98	-74.34
CC1=C2C=C(C(=O)N3CC(C4CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C=CN2C=N1	REAL300030389665	0	47	0.0	-81.53	392.49	6.42	-75.11
CC1=C2C=C(C(=O)N3CC(C4CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C=CN2C=[NH+]1	REAL300030389665	1	47	0.0	-81.53	392.49	6.42	-75.11
CC1CC[N@@H+]1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030389672	0	46	0.0	-74.91	375.81	3.91	-71.00
C[NH+](C)CC=CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030389693	0	46	0.0	-81.67	380.34	3.98	-77.69
CC1(C)CN(CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030389709	0	49	0.0	-76.42	395.21	4.40	-72.02
CC1(C)C[NH+](CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030389709	1	49	0.0	-76.42	395.21	4.40	-72.02
O=C(CCCC[NH+]1CCCCC1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030389723	0	58	0.0	-78.37	451.62	6.81	-71.56
CC1=C(C)NC(CCC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=N1	REAL300030389738	0	50	0.0	-72.21	414.86	4.08	-68.13
CC1=C(C)[NH+]=C(CCC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)N1	REAL300030389738	1	50	0.0	-72.21	414.86	4.08	-68.13
C[NH+]1CCC(C2(C(=O)N3CC(C4CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)CC2)CC1	REAL300030389752	0	56	0.0	-78.49	431.86	6.37	-72.12
CC1=C2C=C(C(=O)N3CC(C4CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C=CN2C=N1	REAL300030389762	0	47	0.0	-81.53	392.49	6.42	-75.11
CC1=C2C=C(C(=O)N3CC(C4CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C=CN2C=[NH+]1	REAL300030389762	1	47	0.0	-81.53	392.49	6.42	-75.11
C[NH+](C)CCSCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030389775	0	49	0.0	-82.88	411.52	4.74	-78.14
CC(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300030389796	0	55	0.0	-74.51	438.00	6.73	-67.78
NC1=NC2=C(C=C1C(=O)N1CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)CCCC2	REAL300030389800	0	52	0.0	-67.04	412.67	4.10	-62.94
NC1=[NH+]C2=C(C=C1C(=O)N1CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)CCCC2	REAL300030389800	1	52	0.0	-67.04	412.67	4.10	-62.94
O=C(C[N@H+]1CCCC1CO)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030389808	0	50	0.0	-75.26	394.28	0.84	-74.42
CC[NH+](CC)CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030389811	0	48	0.0	-72.47	375.29	3.81	-68.66
C[N@H+](CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCSC1	REAL300030389824	0	50	0.0	-78.98	403.01	4.98	-74.00
O=C(CN1CCC1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030389826	0	43	0.0	-76.69	354.72	3.35	-73.34
O=C(C[NH+]1CCC1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030389826	1	43	0.0	-76.69	354.72	3.35	-73.34
CC[NH+](CC)CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030389892	0	51	0.0	-75.06	401.66	4.67	-70.39
NC(=O)C1CC[NH+](CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030389918	0	53	0.0	-86.06	422.26	1.33	-84.73
C[NH+](C)CC1=CNC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300030389977	0	50	0.0	-79.67	405.79	3.98	-75.69
CC(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCC(O)CC1	REAL300030390003	0	53	0.0	-75.97	409.60	1.43	-74.54
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CC4COCC[N@@H+]4C3)C2)C1	REAL300030390011	0	51	0.0	-79.14	400.47	3.03	-76.11
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CC4COCC[N@H+]4C3)C2)C1	REAL300030390011	1	51	0.0	-76.49	400.06	3.05	-73.44
CC(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCC1	REAL300030390033	0	46	0.0	-74.62	366.65	3.43	-71.19
CCC(CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300030390045	0	54	0.0	-83.05	419.46	5.42	-77.63
NC1=CC=C(C=CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=[NH+]1	REAL300030390054	0	46	0.0	-77.88	390.81	2.93	-74.95
C[NH+](C)CC(C)(C)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030390055	0	51	0.0	-77.10	388.17	4.06	-73.04
C[NH+](C)C(CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=CC=C1	REAL300030390100	0	55	0.0	-81.95	434.55	6.78	-75.17
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030390138	0	49	0.0	-71.97	372.02	3.92	-68.05
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030390138	1	49	0.0	-71.15	385.24	4.38	-66.77
CC1CN2CC[N@@H+]1CC2C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030390155	0	52	0.0	-80.41	393.50	1.50	-78.91
CC1CN2CC[N@H+]1CC2C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030390155	1	52	0.0	-82.56	394.19	1.58	-80.98
C[NH+](C)CC(O)CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030390188	0	49	0.0	-82.12	397.23	1.86	-80.26
C[NH+]1C2CCC1CC(C(=O)N1CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300030390191	0	53	0.0	-73.23	380.86	4.90	-68.33
C=CCC(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030390245	0	49	0.0	-75.10	389.97	4.40	-70.70
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CC4CCCC[N@@H+]4C3)C2)C1	REAL300030390260	0	53	0.0	-78.62	410.13	5.45	-73.17
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CC4CCCC[N@H+]4C3)C2)C1	REAL300030390260	1	53	0.0	-73.95	411.24	5.48	-68.47
C[NH+]1CCC(C)(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030390277	0	52	0.0	-76.56	395.43	4.39	-72.17
C[NH+]1CCC(O)(CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030390283	0	53	0.0	-78.68	415.17	3.14	-75.54
COCC[N@@H+]1CCCC1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030390299	0	56	0.0	-74.31	439.27	4.44	-69.87
COCC[N@H+]1CCCC1CC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030390299	1	56	0.0	-77.66	436.37	3.83	-73.83
C[NH+]1C2CCC1CC(CC(=O)N1CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300030390314	0	56	0.0	-78.34	410.30	5.24	-73.10
C[NH+](C)CCN1N=CC=C1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030390359	0	52	0.0	-73.33	419.59	3.96	-69.37
C[NH+]1CCC(C2(C(=O)N3CC(C4CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)CC2)CC1	REAL300030390408	0	56	0.0	-78.49	431.86	6.37	-72.12
CC1=C2C=C(C(=O)N3CC(C4CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C=CN2C=[NH+]1	REAL300030390420	1	47	0.0	-81.53	392.49	6.42	-75.11
C[NH+](C)CCSCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030390432	0	49	0.0	-82.88	411.52	4.74	-78.14
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CC4COCC[N@@H+]4C3)C2)C1	REAL300030390444	0	51	0.0	-79.14	400.47	3.03	-76.11
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3CC4COCC[N@H+]4C3)C2)C1	REAL300030390444	1	51	0.0	-76.49	400.06	3.05	-73.44
C[N@@H+]1CCCC1C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030390609	0	52	0.0	-61.38	377.11	4.30	-57.08
C[N@H+]1CCCC1C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030390609	1	52	0.0	-50.89	376.30	4.28	-46.61
C[N@@H+]1CCOC(C(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030390633	1	53	0.0	-68.25	386.63	4.11	-64.14
C[N@H+]1CCOC(C(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030390633	1	53	0.0	-70.37	393.79	4.29	-66.08
CC(C)[N@@H+]1CCCC1C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030390789	0	58	0.0	-51.53	405.21	5.66	-45.87
CC(C)[N@H+]1CCCC1C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030390789	1	58	0.0	-53.56	412.25	5.82	-47.74
CC1=[NH+]C=CN1CC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030390822	1	50	0.0	-55.88	386.86	5.42	-50.46
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCC1CC2	REAL300030390850	0	56	0.0	-53.95	395.37	5.51	-48.44
C[C@@H]1[C@H](C(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030390884	0	55	0.0	-64.13	392.66	4.67	-59.46
C[C@@H]1[C@H](C(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030390884	1	55	0.0	-64.71	399.53	5.15	-59.56
CC[C@@H]1[C@@H](C(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030390886	0	58	0.0	-58.01	413.24	5.44	-52.57
CC[C@@H]1[C@@H](C(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030390886	1	58	0.0	-63.72	419.21	5.85	-57.87
CC[N@@H+]1CCOC(C(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030390893	1	56	0.0	-47.35	400.69	4.51	-42.84
CC[N@H+]1CCOC(C(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030390893	1	56	0.0	-57.26	408.14	4.84	-52.42
CC[NH+](CC)CC(F)C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030390921	0	57	0.0	-63.46	415.88	5.61	-57.85
CC1CCC(C)[NH+]1CC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030390957	0	58	0.0	-52.38	413.69	5.73	-46.65
O=C(CCC[NH+]1CCCC1)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030390960	0	58	0.0	-62.59	426.69	6.43	-56.16
O=C(CC[NH+]1CCCCC1)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030390963	0	58	0.0	-59.28	419.92	6.24	-53.04
CC[N@@H+]1CCCCC1C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030390966	0	58	0.0	-55.89	403.55	5.76	-50.13
CC[N@H+]1CCCCC1C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030390966	1	58	0.0	-57.05	403.55	5.86	-51.19
C[NH+](C)C1(C(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300030390977	0	55	0.0	-83.42	392.56	5.11	-78.31
CC(C)[C@@H](C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030390984	0	57	0.0	-57.10	408.53	5.79	-51.31
C[N@H+](CC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030391009	0	55	0.0	-55.68	403.52	5.79	-49.89
C[N@@H+](CC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030391009	1	55	0.0	-57.01	403.66	5.80	-51.21
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030391085	1	54	0.0	-57.39	403.39	5.61	-51.78
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030391085	1	54	0.0	-55.66	410.60	5.97	-49.69
C[N@@H+]1CCCC1CCC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030391090	0	58	0.0	-61.59	417.85	5.87	-55.72
C[N@H+]1CCCC1CCC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030391090	1	58	0.0	-63.31	418.28	5.86	-57.45
C[NH+]1CCC(C(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030391110	0	55	0.0	-62.96	400.00	5.46	-57.50
C[N@@H+]1CCCCC1C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030391149	0	55	0.0	-54.02	389.01	5.11	-48.91
C[N@H+]1CCCCC1C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030391149	1	55	0.0	-53.53	388.67	5.16	-48.37
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)C1=CN2C=[NH+]C=C2C=C1	REAL300030391219	0	50	0.0	-64.25	387.10	7.18	-57.07
O=C(CC[NH+]1CCOCC1)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030391226	1	56	0.0	-62.22	412.12	3.90	-58.32
CC1=C[NH+]=CN1CC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030391239	1	50	0.0	-61.85	387.19	6.15	-55.70
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+]1CCC2	REAL300030391260	0	56	0.0	-51.55	397.14	5.94	-45.61
C[N@@H+]1CCC(CC(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030391271	0	55	0.0	-61.59	403.04	5.29	-56.30
C[N@H+]1CCC(CC(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030391271	1	55	0.0	-62.96	402.30	5.43	-57.53
CN(C)C1=CC=[NH+]C=C1C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030391277	0	54	0.0	-62.56	407.66	4.49	-58.07
CCC(C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030391279	0	54	0.0	-55.13	386.05	4.91	-50.22
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)C1=CC2=C[NH+]=CN2C=C1	REAL300030391306	1	50	0.0	-66.58	386.69	7.26	-59.32
C[NH+](C)CCCCC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030391338	0	57	0.0	-66.23	422.22	6.04	-60.19
CC(C)C(C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030391352	0	57	0.0	-52.89	405.32	5.95	-46.94
CCC[N@H+](C)CCC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030391353	0	57	0.0	-60.93	417.97	5.81	-55.12
CCC[N@@H+](C)CCC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030391353	1	57	0.0	-61.26	418.45	5.86	-55.40
CCC[N@H+](C)CC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030391357	0	54	0.0	-57.95	396.65	5.22	-52.73
CCC[N@@H+](C)CC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030391357	1	54	0.0	-55.07	395.38	5.12	-49.95
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)C12CC[N@H+](C1)CCC2	REAL300030391372	0	56	0.0	-60.52	393.80	5.14	-55.38
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)C12CC[N@@H+](C1)CCC2	REAL300030391372	1	56	0.0	-63.63	394.81	4.93	-58.70
C[N@@H+]1CCC[C@@H]1C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030391398	0	52	0.0	-61.75	377.88	4.25	-57.50
C[N@H+]1CCC[C@@H]1C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030391398	1	52	0.0	-54.94	381.36	4.88	-50.06
CC[NH+](CC)CC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030391433	0	54	0.0	-56.76	392.58	5.17	-51.59
CC1CC[NH+](CC(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030391494	0	58	0.0	-56.51	419.49	6.31	-50.20
C[NH+](C)CC1(C(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030391516	0	55	0.0	-75.32	405.38	4.62	-70.70
C[NH+]1CCC(C(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030391569	0	55	0.0	-62.96	400.00	5.46	-57.50
CC(C)[C@H](C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030391585	0	57	0.0	-54.10	405.70	6.07	-48.03
CCC(C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300030391613	0	60	0.0	-53.81	419.12	6.16	-47.65
CC[N@H+](C)CCC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030391654	0	54	0.0	-59.50	396.71	4.99	-54.51
CC[N@@H+](C)CCC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030391654	1	54	0.0	-60.29	396.47	5.06	-55.23
CC1CCC[N@@H+]1CC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030391684	0	55	0.0	-54.60	395.00	5.21	-49.39
CC1CCC[N@H+]1CC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030391684	1	55	0.0	-53.31	395.01	5.14	-48.17
CC1CC[N@H+](CC(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030391686	0	55	0.0	-54.63	403.09	5.35	-49.28
CC1CC[N@@H+](CC(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030391686	1	55	0.0	-55.89	401.75	5.59	-50.30
CC1(C)CC[N@H+](CC(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030391690	0	58	0.0	-56.05	421.53	6.09	-49.96
CC1(C)CC[N@@H+](CC(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030391690	1	58	0.0	-55.18	421.87	5.96	-49.22
C[N@H+](CC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030391691	0	60	0.0	-54.69	423.57	6.14	-48.55
C[N@@H+](CC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030391691	1	60	0.0	-57.64	427.61	6.43	-51.21
CC[C@@H](C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030391699	0	54	0.0	-55.93	388.86	4.66	-51.27
C[NH+](C)CC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030391803	0	48	0.0	-58.41	356.86	3.89	-54.52
O=C(C[NH+]1CCCCCC1)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030391807	0	58	0.0	-57.80	407.94	5.96	-51.84
CN1C=C[N+](CC(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300030391810	0	50	0.0	-56.10	388.65	7.32	-48.78
C[N@@H+]1CCCC(C(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030391815	0	55	0.0	-60.83	401.08	5.46	-55.37
C[N@H+]1CCCC(C(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030391815	1	55	0.0	-57.86	394.71	5.65	-52.21
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@@H+]1C1CC1	REAL300030391820	0	56	0.0	-54.35	414.62	6.34	-48.01
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@H+]1C1CC1	REAL300030391820	1	56	0.0	-57.18	406.81	5.63	-51.55
CC(C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030391836	1	52	0.0	-56.13	386.27	4.74	-51.39
CCC(CC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030391840	0	60	0.0	-63.46	428.17	6.36	-57.10
C[NH+](C)CC(C)(C)C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030391845	0	57	0.0	-51.00	400.88	5.58	-45.42
O=C(C[NH+]1CCC(O)CC1)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030391860	1	56	0.0	-58.95	410.01	2.38	-56.57
C[N@H+](CC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030391861	0	52	0.0	-55.56	386.12	5.30	-50.26
C[N@@H+](CC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030391861	1	52	0.0	-55.36	385.78	5.25	-50.11
C[NH+]1CC(CC(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030391877	0	52	0.0	-60.38	388.30	4.72	-55.66
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030391888	0	58	0.0	-53.52	417.88	5.57	-47.95
CC(C)(C)[N@H+]1CCC1C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030391888	1	58	0.0	-52.13	417.71	5.42	-46.71
C[C@@H](C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030391899	0	51	0.0	-55.84	376.51	4.08	-51.76
[NH2+]=C1SC=CN1CC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030391958	0	48	0.0	-53.02	384.49	3.99	-49.03
C[N@H+](CCO)CCC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030391965	0	55	0.0	-62.08	407.30	1.90	-60.18
C[N@@H+](CCO)CCC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030391965	1	55	0.0	-61.02	406.88	1.85	-59.17
C[C@@H](C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030391966	0	51	0.0	-55.84	376.51	4.08	-51.76
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030391970	0	55	0.0	-53.50	388.54	5.10	-48.40
C[N@H+]1CCCC[C@@H]1C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030391970	1	55	0.0	-50.31	397.90	5.28	-45.03
O=C(C[NH+]1CCC1)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392020	1	49	0.0	-59.42	368.45	4.11	-55.31
C[N@@H+]1CCC(=CC(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030392039	0	53	0.0	-66.38	396.36	5.24	-61.14
C[N@H+]1CCC(=CC(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030392039	1	53	0.0	-67.02	394.87	5.26	-61.76
C[NH+](C)CCOCC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392062	0	55	0.0	-64.92	412.73	4.95	-59.97
C=CCC(C)(C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030392076	0	58	0.0	-61.87	410.66	6.15	-55.72
C[S+](C)CCC(O)C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392080	0	54	0.0	-69.49	421.71	3.58	-65.91
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392099	0	56	0.0	-75.91	403.47	1.44	-74.47
CC1CN(CC(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030392118	0	52	0.0	-57.79	386.58	5.00	-52.79
CC1C[NH+](CC(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030392118	1	52	0.0	-57.79	386.58	5.00	-52.79
CN(CCO)CC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392136	0	52	0.0	-54.92	384.24	1.14	-53.78
C[N@H+](CCO)CC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392136	1	52	0.0	-57.75	385.56	1.23	-56.52
C[N@@H+](CCO)CC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392136	1	52	0.0	-57.75	385.56	1.23	-56.52
CC[N@@H+]1CCCC(C(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030392156	0	58	0.0	-56.79	412.37	6.32	-50.47
CC[N@H+]1CCCC(C(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030392156	1	58	0.0	-56.79	412.37	6.32	-50.47
CC(CC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030392158	0	57	0.0	-63.50	414.04	5.90	-57.60
CC[N@H+](C)CC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392163	0	51	0.0	-54.90	373.88	4.38	-50.52
CC[N@H+](CC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030392196	0	55	0.0	-55.57	402.95	5.85	-49.72
CC[NH+](CC)CCC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392206	0	57	0.0	-59.47	414.43	5.75	-53.72
CC1(O)CC[N@H+](CC(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030392242	0	56	0.0	-57.77	412.49	2.23	-55.54
C[NH+](C)CC=CC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392246	0	52	0.0	-64.38	392.83	5.12	-59.26
CC(OCC[NH+](C)C)C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392255	0	58	0.0	-65.35	429.37	5.64	-59.71
C[NH+](C)CCOCCC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392261	0	58	0.0	-62.39	433.64	4.68	-57.71
COCCN(C)CC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392262	0	55	0.0	-57.13	407.82	3.64	-53.49
COCC[N@H+](C)CC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392262	1	55	0.0	-54.63	406.49	3.54	-51.09
COCC[N@@H+](C)CC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392262	1	55	0.0	-54.63	406.49	3.54	-51.09
C[NH+](C)C1(C(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300030392282	0	58	0.0	-76.38	410.75	5.53	-70.85
CC(CCC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030392284	0	57	0.0	-62.09	414.26	5.64	-56.45
CCN1CCC1C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392290	0	52	0.0	-56.50	388.76	4.70	-51.80
CC[N@@H+]1CCC1C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392290	1	52	0.0	-56.99	381.66	4.60	-52.39
CC[N@H+]1CCC1C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392290	1	52	0.0	-56.99	381.66	4.60	-52.39
O=C(C[N@H+]1CCCC1CO)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392303	0	56	0.0	-55.12	409.46	2.40	-52.72
C[NH+]1CCC(C)(C(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030392325	0	58	0.0	-51.91	410.45	5.90	-46.01
C=CCC(C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030392344	0	55	0.0	-59.69	403.34	5.54	-54.15
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392351	0	58	0.0	-58.79	420.24	5.94	-52.85
C[NH+](C)CCCCCC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392353	0	60	0.0	-67.37	443.72	6.82	-60.55
CCCC(C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030392374	0	57	0.0	-54.53	412.07	5.87	-48.66
C[NH+](C)C(C)(C)C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392377	0	54	0.0	-55.37	376.65	5.10	-50.27
C[N@@H+]1CCCCC1C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392403	0	55	0.0	-53.53	388.67	5.16	-48.37
C[N@H+]1CC=C(CC(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030392427	0	56	0.0	-63.55	415.46	6.15	-57.40
C[N@@H+]1CC=C(CC(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030392427	1	56	0.0	-63.55	415.46	6.15	-57.40
O=C(C=CC[NH+]1CCCC1)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392467	0	56	0.0	-63.38	419.16	6.31	-57.07
O=C(CC[NH+]1CCCC1)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392500	0	55	0.0	-59.89	405.19	5.63	-54.26
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCN1CC2	REAL300030392524	0	55	0.0	-55.34	388.69	2.25	-53.09
C[N@@H+]1CC2CC1(C(=O)NCC1C3CCC(CC3)N1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030392529	0	53	0.0	-78.04	389.06	4.07	-73.97
O=C(C[N@@H+]1CC2CCC1C2)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392536	0	56	0.0	-56.01	400.82	5.75	-50.26
O=C(C[N@H+]1CC2CCC1C2)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392536	1	56	0.0	-56.01	400.82	5.75	-50.26
O=C(CN1CC2C=CC1C2)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392576	0	54	0.0	-56.28	397.78	5.65	-50.63
O=C(C[N@@H+]1CC2C=CC1C2)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392576	1	54	0.0	-56.29	395.52	5.72	-50.57
O=C(C[N@H+]1CC2C=CC1C2)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392576	1	54	0.0	-56.29	395.52	5.72	-50.57
CC(C[NH+](C)C)C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392608	0	54	0.0	-60.02	391.34	5.19	-54.83
C[N@@H+]1CCCCC1CC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392658	0	58	0.0	-56.54	408.73	5.77	-50.77
C[N@H+]1CCCCC1CC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392658	1	58	0.0	-56.54	408.73	5.77	-50.77
CC(C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)N1CC(C)C1	REAL300030392668	0	55	0.0	-55.88	403.07	5.37	-50.51
CC(C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300030392668	1	55	0.0	-55.88	403.07	5.37	-50.51
CC1CCN1CC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392670	0	52	0.0	-55.36	382.08	4.64	-50.72
CC1CC[N@@H+]1CC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392670	1	52	0.0	-56.58	389.76	4.75	-51.83
CC1CC[N@H+]1CC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392670	1	52	0.0	-56.58	389.76	4.75	-51.83
C[NH+](C)CC(O)CC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392673	0	55	0.0	-66.64	409.56	2.90	-63.74
CC1CN(C)CC(C(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030392693	0	56	0.0	-70.65	409.65	4.68	-65.97
CC1C[N@H+](C)CC(C(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030392693	1	56	0.0	-73.17	416.82	4.88	-68.29
CC1C[N@@H+](C)CC(C(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030392693	1	56	0.0	-73.17	416.82	4.88	-68.29
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030392740	0	55	0.0	-66.71	407.34	5.42	-61.29
CC(CC[NH+](C)C)C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392746	0	57	0.0	-65.23	413.74	5.78	-59.45
CN1CCN(CC(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030392765	0	57	0.0	-62.32	415.96	3.20	-59.12
C[NH+]1CCN(CC(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030392765	1	57	0.0	-62.32	415.96	3.20	-59.12
NC(=[NH2+])SCC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392789	0	46	0.0	-60.44	364.78	0.85	-59.59
C[NH+](C)CCC1(C(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030392818	0	58	0.0	-80.55	431.15	5.35	-75.20
C[N@@H+]1CC=CCC1CC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392819	0	56	0.0	-49.93	402.62	5.81	-44.12
C[N@H+]1CC=CCC1CC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392819	1	56	0.0	-49.93	402.62	5.81	-44.12
C[C@@H](OCC[NH+](C)C)C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392832	0	58	0.0	-66.14	432.04	5.43	-60.71
CCC1C[NH+](CC(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030392918	1	55	0.0	-57.74	409.14	5.70	-52.04
C[N@@H+]1CCC[C@H]1C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392923	0	52	0.0	-59.23	384.05	4.74	-54.49
C[N@H+]1CCC[C@H]1C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392923	1	52	0.0	-61.02	376.76	4.37	-56.65
O=C(CC[N@H+]1CCC(F)C1)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392929	0	55	0.0	-63.39	410.61	5.65	-57.74
O=C(CC[N@@H+]1CCC(F)C1)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392929	1	55	0.0	-64.94	413.02	5.49	-59.45
O=C(C[NH+]1CCCCC1)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392942	0	55	0.0	-56.43	398.58	5.76	-50.67
CC1C(C(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030392948	0	55	0.0	-66.24	401.37	5.01	-61.23
CC1C(C(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030392948	1	55	0.0	-59.22	404.10	5.08	-54.14
C[N@@H+]1CCOCC1CC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392977	1	56	0.0	-58.45	399.18	3.39	-55.06
C[N@H+]1CCOCC1CC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392977	1	56	0.0	-59.99	399.59	3.53	-56.46
C[N@@H+]1CCCC1C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030393148	0	52	0.0	-67.34	383.05	3.78	-63.56
C[N@H+]1CCCC1C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030393148	1	52	0.0	-69.10	382.81	3.87	-65.23
O=C(CC[NH+]1CCOCC1)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030393327	1	56	0.0	-76.74	417.03	3.12	-73.62
O=C(NCC1C2CCC(CC2)N1C(=O)C12CCC[NH+]1CCC2)C1=CC(=O)[N-]O1	REAL300030393339	0	56	0.0	-72.70	387.53	5.16	-67.54
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC(=O)[N-]O1	REAL300030393345	1	50	0.0	-60.99	378.73	7.37	-53.62
C[N@@H+]1CCC(CC(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030393376	0	55	0.0	-74.78	408.38	4.71	-70.07
C[N@H+]1CCC(CC(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030393376	1	55	0.0	-75.63	407.52	4.74	-70.89
CN(C)C1=CC=[NH+]C=C1C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030393382	0	54	0.0	-45.13	365.83	3.80	-41.33
CCC(C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030393384	0	54	0.0	-69.08	391.71	4.10	-64.98
C[NH+](C)CCCCC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030393422	0	57	0.0	-75.13	427.52	5.23	-69.90
CC(C)C(C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030393438	0	57	0.0	-69.97	400.86	4.49	-65.48
CCC[N@H+](C)CCC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030393439	0	57	0.0	-75.06	423.41	5.06	-70.00
CCC[N@@H+](C)CCC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030393439	1	57	0.0	-75.12	423.41	5.07	-70.05
CCC[N@H+](C)CC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030393443	0	54	0.0	-71.75	401.38	4.46	-67.29
CCC[N@@H+](C)CC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030393443	1	54	0.0	-72.53	400.89	4.51	-68.02
O=C(NCC1C2CCC(CC2)N1C(=O)C12CC[N@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300030393458	0	56	0.0	-79.37	388.28	4.54	-74.83
O=C(NCC1C2CCC(CC2)N1C(=O)C12CC[N@@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300030393458	1	56	0.0	-77.70	392.55	4.63	-73.07
CC1CC[NH+](CC(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030393491	0	58	0.0	-72.65	424.42	5.54	-67.11
C[NH+](C)CC1(C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030393532	0	55	0.0	-55.42	402.27	5.59	-49.83
CC[N@H+](C)CCC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030393551	0	54	0.0	-74.21	401.94	4.33	-69.88
CC[N@@H+](C)CCC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030393551	1	54	0.0	-74.27	401.92	4.33	-69.94
O=C(NCC1C2CCC(CC2)N1C(=O)C1C[NH+]2CCC1CC2)C1=CC(=O)[N-]O1	REAL300030393569	0	56	0.0	-77.72	397.81	4.59	-73.13
C[NH+]1CCC(C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030393618	0	55	0.0	-73.93	400.87	5.42	-68.51
CC(C)[C@H](C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030393634	0	57	0.0	-72.06	403.63	4.92	-67.14
CC[NH+](CC)CC(F)C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030393694	0	57	0.0	-71.68	415.27	5.59	-66.09
C[NH+](C)C1(C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300030393715	0	55	0.0	-73.18	380.33	4.74	-68.44
CCC(C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300030393743	0	60	0.0	-58.04	419.46	5.90	-52.14
CC1CCC[N@@H+]1CC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030393754	0	55	0.0	-68.00	400.45	4.43	-63.57
CC1CCC[N@H+]1CC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030393754	1	55	0.0	-68.87	406.95	4.76	-64.11
CC(C)[N@@H+]1CCCC1C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030393800	0	58	0.0	-66.89	420.96	5.05	-61.84
CC(C)[N@H+]1CCCC1C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030393800	1	58	0.0	-66.62	415.82	4.93	-61.69
CC(C)[C@@H](C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030393809	0	57	0.0	-69.07	402.19	4.47	-64.60
CC1CC[N@H+](CC(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030393823	0	55	0.0	-70.85	407.08	4.76	-66.09
CC1CC[N@@H+](CC(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030393823	1	55	0.0	-70.67	407.25	4.75	-65.92
CC1(C)CC[N@H+](CC(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030393827	0	58	0.0	-71.28	427.15	5.29	-65.99
CC1(C)CC[N@@H+](CC(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030393827	1	58	0.0	-71.66	426.74	5.38	-66.28
C[N@H+](CC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030393828	0	60	0.0	-71.94	431.72	5.62	-66.32
C[N@@H+](CC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030393828	1	60	0.0	-71.75	432.18	5.59	-66.16
CC[C@@H](C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030393836	0	54	0.0	-60.68	388.34	4.85	-55.83
CC1=[NH+]C=CN1CC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030393957	1	50	0.0	-66.93	390.55	4.62	-62.31
CC[N@@H+]1CCOC(C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030394021	1	56	0.0	-78.64	410.47	4.76	-73.88
CC[N@H+]1CCOC(C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030394021	1	56	0.0	-78.09	411.21	4.54	-73.55
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC(=O)[N-]O1	REAL300030394051	0	50	0.0	-55.19	378.41	7.37	-47.82
CC1=C[NH+]=CN1CC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394054	1	50	0.0	-70.07	391.19	5.47	-64.60
C[C@@H]1[C@H](C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030394061	0	55	0.0	-75.77	395.15	4.19	-71.58
C[C@@H]1[C@H](C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030394061	1	55	0.0	-68.91	399.87	5.01	-63.90
CC[C@@H]1[C@@H](C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030394063	0	58	0.0	-73.69	415.27	4.61	-69.08
CC[C@@H]1[C@@H](C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030394063	1	58	0.0	-75.39	417.63	4.86	-70.53
CC1CCC(C)[NH+]1CC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394070	0	58	0.0	-63.82	415.92	6.19	-57.63
O=C(CCC[NH+]1CCCC1)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394073	0	58	0.0	-73.60	431.20	5.65	-67.95
O=C(CC[NH+]1CCCCC1)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394077	0	58	0.0	-73.36	425.70	5.50	-67.86
CC[N@@H+]1CCCCC1C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394080	0	58	0.0	-61.68	404.50	5.62	-56.06
CC[N@H+]1CCCCC1C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394080	1	58	0.0	-60.23	405.46	5.55	-54.68
C[N@H+](CC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030394178	0	55	0.0	-70.07	407.53	5.10	-64.97
C[N@@H+](CC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030394178	1	55	0.0	-69.79	408.30	5.02	-64.77
C[NH+]1CCC(C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030394209	0	55	0.0	-73.93	400.87	5.42	-68.51
C[N@@H+]1CCC[C@@H]1C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394239	0	52	0.0	-70.27	380.15	3.61	-66.66
C[N@H+]1CCC[C@@H]1C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394239	1	52	0.0	-68.69	383.53	3.90	-64.79
C#CC[N@H+]1CCC[C@H]1C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394257	1	54	0.0	-69.68	406.95	4.83	-64.85
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394257	1	54	0.0	-70.18	409.33	5.15	-65.03
C[N@@H+]1CCCC1CCC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394262	0	58	0.0	-78.25	428.44	5.60	-72.65
C[N@H+]1CCCC1CCC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394262	1	58	0.0	-71.30	423.59	5.16	-66.14
C[N@@H+]1CCCCC1C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394336	0	55	0.0	-63.48	387.51	4.87	-58.61
C[N@H+]1CCCCC1C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394336	1	55	0.0	-59.72	400.47	5.62	-54.10
CC1C(C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030394394	0	55	0.0	-72.36	402.20	4.32	-68.04
CC1C(C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030394394	1	55	0.0	-72.59	402.11	4.33	-68.26
CC(C)(C)[N@@H+]1CCC1C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394450	0	58	0.0	-62.35	395.82	4.66	-57.69
CC(C)(C)[N@H+]1CCC1C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394450	1	58	0.0	-62.20	385.57	4.51	-57.69
C[C@@H](C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030394464	0	51	0.0	-61.12	375.90	4.20	-56.92
C=CCC(C)(C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030394478	0	58	0.0	-69.70	402.01	5.46	-64.24
O=C(CC[NH+]1CCCC1)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394495	0	55	0.0	-74.18	408.87	4.73	-69.45
C[N@H+](CCO)CC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394504	1	52	0.0	-73.50	389.75	0.54	-72.96
C[N@@H+](CCO)CC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394504	1	52	0.0	-71.92	390.01	0.48	-71.44
C[N@H+]1CC=C(CC(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030394562	0	56	0.0	-69.98	420.33	5.46	-64.52
C[N@@H+]1CC=C(CC(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030394562	1	56	0.0	-67.38	420.97	5.49	-61.89
C[S+](C)CCC(O)C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394572	0	54	0.0	-78.07	420.65	2.37	-75.70
C[N@@H+]1CC(O)CC1(C)C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394585	0	56	0.0	-59.31	395.79	1.09	-58.22
C[N@H+]1CC(O)CC1(C)C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394585	1	56	0.0	-58.08	394.24	0.85	-57.23
CC1C[NH+](CC(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030394615	1	52	0.0	-71.95	393.32	4.19	-67.76
CC[N@@H+]1CCCC(C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030394621	0	58	0.0	-54.88	415.18	6.29	-48.59
CC[N@H+]1CCCC(C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030394621	1	58	0.0	-57.65	409.43	6.17	-51.48
NC1=[NH+]C=CC=C1CC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394625	0	51	0.0	-65.69	396.37	2.90	-62.79
O=C(NCC1C2CCC(CC2)N1C(=O)C1CCC[N@@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300030394633	0	56	0.0	-71.49	412.59	5.02	-66.47
O=C(NCC1C2CCC(CC2)N1C(=O)C1CCC[N@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300030394633	1	56	0.0	-59.41	411.74	5.94	-53.47
O=C(C=CC[NH+]1CCCC1)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394663	0	56	0.0	-70.54	421.02	6.42	-64.12
CC[N@H+](C)CC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394708	0	51	0.0	-71.48	379.88	3.71	-67.77
O=C(CN1CC2C=CC1C2)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394743	0	54	0.0	-66.99	400.84	4.93	-62.06
O=C(C[N@@H+]1CC2C=CC1C2)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394743	1	54	0.0	-67.89	400.70	4.93	-62.96
O=C(C[N@H+]1CC2C=CC1C2)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394743	1	54	0.0	-67.89	400.70	4.93	-62.96
CC(OCC[NH+](C)C)C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394830	0	58	0.0	-65.22	431.52	5.40	-59.82
C[NH+](C)CCOCCC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394837	0	58	0.0	-73.29	438.79	3.88	-69.41
COCCN(C)CC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394839	0	55	0.0	-71.53	412.27	2.88	-68.65
COCC[N@H+](C)CC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394839	1	55	0.0	-73.97	412.00	2.94	-71.03
COCC[N@@H+](C)CC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394839	1	55	0.0	-73.97	412.00	2.94	-71.03
CC(CCC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030394842	0	57	0.0	-72.18	419.48	4.82	-67.36
C[NH+]1CCC(=CC(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030394852	0	56	0.0	-65.06	412.33	6.23	-58.83
CC[N@H+](CC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030394858	0	55	0.0	-67.93	410.41	5.07	-62.86
CC[N@@H+](CC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030394858	1	55	0.0	-66.27	401.99	5.71	-60.56
C[N@@H+]1CC2CC1(C(=O)N1C3CCC(CC3)C1CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030394885	0	53	0.0	-72.83	386.33	4.90	-67.93
C[N@H+]1CC2CC1(C(=O)N1C3CCC(CC3)C1CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030394885	1	53	0.0	-69.93	388.49	4.84	-65.09
O=C(C[N@@H+]1CC2CCC1C2)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394894	0	56	0.0	-68.77	406.06	4.96	-63.81
O=C(C[N@H+]1CC2CCC1C2)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394894	1	56	0.0	-69.48	405.54	4.98	-64.50
CC(C[NH+](C)C)C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394909	0	54	0.0	-69.33	396.83	5.06	-64.27
C[NH+](C)C1(C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030394920	0	52	0.0	-67.67	375.48	4.03	-63.64
C[C@H](C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030394941	0	51	0.0	-63.71	376.62	4.28	-59.43
CC[N@@H+]1CCC1C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394946	1	52	0.0	-69.32	385.68	3.81	-65.51
CC[N@H+]1CCC1C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394946	1	52	0.0	-71.74	392.03	4.06	-67.68
CCC(C)(C)[NH2+]C(C)C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394957	0	60	0.0	-64.58	424.93	4.62	-59.96
CNC1=[NH+]C(C)=CC=C1C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394984	1	54	0.0	-60.18	411.84	4.42	-55.76
NC1=CC=[NH+]C=C1C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394985	0	48	0.0	-67.84	368.82	1.75	-66.09
CCCC(C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030394993	0	57	0.0	-72.01	413.86	4.83	-67.18
C[NH+](C)C(C)(C)C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394998	0	54	0.0	-69.89	376.50	4.51	-65.38
CC(CC[NH+](C)C)C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395012	0	57	0.0	-68.62	418.49	5.69	-62.93
C[N@@H+]1CC(C)(C)CC1C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395074	0	58	0.0	-68.96	419.93	4.80	-64.16
C[N@H+]1CC(C)(C)CC1C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395074	1	58	0.0	-68.31	420.61	4.63	-63.68
C[NH+](C)CCCCCC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395076	0	60	0.0	-74.14	449.01	6.01	-68.13
C[NH+]1CCN(CC(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030395083	1	57	0.0	-70.73	420.95	2.56	-68.17
CC1C[N@H+](C)CC(C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030395136	1	56	0.0	-79.34	407.96	4.63	-74.71
CC1C[N@@H+](C)CC(C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030395136	1	56	0.0	-84.81	415.32	4.71	-80.10
O=C(C[NH+]1CC2CC2C1)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395167	0	53	0.0	-71.97	397.57	4.93	-67.04
C[N@@H+]1CCCCC1C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395194	0	55	0.0	-63.48	387.51	4.87	-58.61
C[N@H+]1CCCCC1C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395194	1	55	0.0	-59.72	400.47	5.62	-54.10
C[N@@H+]1CCC(=CC(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030395268	0	53	0.0	-68.02	396.39	5.56	-62.46
C[N@H+]1CCC(=CC(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030395268	1	53	0.0	-66.81	396.92	5.44	-61.37
O=C(CNC1=CC=[NH+]C=C1)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395271	0	51	0.0	-72.82	397.65	2.33	-70.49
C[NH+](C)C1(C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300030395334	0	58	0.0	-61.50	386.79	4.93	-56.57
CCC1C[NH+](CC(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030395343	0	55	0.0	-73.73	414.41	4.98	-68.75
C[N@@H+]1CCC[C@H]1C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395353	0	52	0.0	-68.18	382.60	3.80	-64.38
C[N@H+]1CCC[C@H]1C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395353	1	52	0.0	-71.99	380.45	3.61	-68.38
NC1=CC=C(CCC(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C=[NH+]1	REAL300030395397	0	54	0.0	-72.56	420.83	3.59	-68.97
C[NH+](C)[C@H]1C[C@H](C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030395448	0	55	0.0	-74.83	410.71	4.77	-70.06
C[NH+](C)CCC1(C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030395457	0	58	0.0	-65.26	431.22	6.34	-58.92
C[N@@H+]1CC=CCC1CC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395458	0	56	0.0	-65.77	408.04	5.10	-60.67
C[N@H+]1CC=CCC1CC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395458	1	56	0.0	-77.47	413.05	5.14	-72.33
C[NH+](C)CCOCC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395494	0	55	0.0	-72.03	417.64	4.14	-67.89
[NH2+]=C1SC=CN1CC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395522	0	48	0.0	-67.36	389.22	3.23	-64.13
C[C@@H](OCC[NH+](C)C)C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395564	0	58	0.0	-63.61	429.73	5.27	-58.34
C[N@@H+]1CCCC(C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030395594	0	55	0.0	-55.13	396.05	5.65	-49.48
C[N@H+]1CCCC(C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030395594	1	55	0.0	-55.13	396.05	5.65	-49.48
O=C(C[NH+]1CCCCCC1)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395595	0	58	0.0	-71.44	413.28	5.09	-66.35
CN1C=C[N+](CC(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030395599	0	50	0.0	-67.94	392.96	6.57	-61.37
O=C(CN1CCC(O)CC1)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395622	0	56	0.0	-75.76	414.66	1.57	-74.19
O=C(C[NH+]1CCC(O)CC1)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395622	1	56	0.0	-75.76	414.66	1.57	-74.19
C[N@H+](CC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030395624	0	52	0.0	-69.02	391.22	4.46	-64.56
O=C(CC[N@H+]1CCC(F)C1)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395627	0	55	0.0	-78.75	416.57	4.95	-73.80
CC(CC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030395648	0	57	0.0	-74.83	418.77	5.11	-69.72
CN1CCOCC1CC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395667	0	56	0.0	-68.77	404.24	2.78	-65.99
C[N@@H+]1CCOCC1CC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395667	1	56	0.0	-65.39	404.97	2.77	-62.62
C[N@H+]1CCOCC1CC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395667	1	56	0.0	-65.39	404.97	2.77	-62.62
CC1=CC(N)=NC=C1C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395707	0	51	0.0	-68.24	390.11	3.07	-65.17
CC1=CC(N)=[NH+]C=C1C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395707	1	51	0.0	-68.24	390.11	3.07	-65.17
CC1(O)CC[N@H+](CC(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030395737	0	56	0.0	-72.76	418.38	1.46	-71.30
C[NH+]1CC(CC(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030395765	0	52	0.0	-72.64	393.05	3.91	-68.73
C[N@H+](CCO)CCC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395795	0	55	0.0	-73.12	412.27	1.07	-72.05
C[N@@H+](CCO)CCC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395795	1	55	0.0	-73.12	412.27	1.07	-72.05
C[N@@H+]1CCCCC1CC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395813	0	58	0.0	-76.82	420.09	5.32	-71.50
C[N@H+]1CCCCC1CC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395813	1	58	0.0	-76.82	420.09	5.32	-71.50
CC1CCN1CC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395828	0	52	0.0	-71.08	392.33	4.14	-66.94
CC1CC[N@@H+]1CC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395828	1	52	0.0	-69.75	388.40	3.99	-65.76
CC1CC[N@H+]1CC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395828	1	52	0.0	-69.75	388.40	3.99	-65.76
C[NH+](C)CC=CC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395836	0	52	0.0	-68.86	395.07	5.04	-63.82
CC1(C)CN(CC(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030395842	0	55	0.0	-72.12	412.53	4.69	-67.43
CC1(C)C[NH+](CC(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030395842	1	55	0.0	-72.12	412.53	4.69	-67.43
C[NH+](C)CCSCC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395864	0	55	0.0	-78.61	428.66	5.07	-73.54
O=C(C[N@H+]1CCCC1CO)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395883	0	56	0.0	-67.47	408.13	1.66	-65.81
O=C(C[N@@H+]1CCCC1CO)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395883	1	56	0.0	-71.12	410.94	1.13	-69.99
CC[NH+](CC)CC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395887	0	54	0.0	-70.27	397.37	4.37	-65.90
O=C(C[NH+]1CCC1)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395896	1	49	0.0	-72.90	372.05	3.58	-69.32
CC[NH+](CC)CCC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395927	0	57	0.0	-73.62	415.71	4.76	-68.86
CC(C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030395986	1	52	0.0	-60.97	379.16	4.39	-56.58
CCC(CC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030395991	0	60	0.0	-59.19	434.72	6.55	-52.64
NC1=CC=C(C=CC(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C=[NH+]1	REAL300030395996	0	52	0.0	-73.64	406.27	4.06	-69.58
C[NH+](C)CC(C)(C)C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395997	0	57	0.0	-62.35	394.40	4.93	-57.42
C[N@@H+]1CCCC[C@@H]1C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030396034	0	55	0.0	-63.78	388.18	4.84	-58.94
C[N@H+]1CCCC[C@@H]1C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030396034	1	55	0.0	-60.07	400.18	5.56	-54.51
C[NH+](C)CC(O)CC(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030396058	0	55	0.0	-77.70	414.85	2.05	-75.65
C=CCC(C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030396080	0	55	0.0	-67.35	401.13	4.38	-62.97
C[NH+]1CCC(C)(C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030396093	0	58	0.0	-67.79	404.96	5.32	-62.47
C[NH+](C)CCSCC(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030396156	0	55	0.0	-68.72	423.75	5.82	-62.90
C[N@@H+]1CCCC1C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030396320	0	52	0.0	-72.75	387.40	-0.07	-72.82
C[N@H+]1CCCC1C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030396320	1	52	0.0	-73.52	387.44	0.04	-73.48
C[N@@H+]1CCOC(C(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030396344	1	53	0.0	-78.11	398.02	-0.20	-78.31
C[N@H+]1CCOC(C(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030396344	1	53	0.0	-84.24	405.11	-0.03	-84.27
CC(C)[N@@H+]1CCCC1C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030396492	0	58	0.0	-68.89	425.93	1.56	-67.33
CC(C)[N@H+]1CCCC1C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030396492	1	58	0.0	-68.77	426.65	1.67	-67.10
CC1=[NH+]C=CN1CC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030396517	1	50	0.0	-70.71	396.90	1.05	-69.66
O=C(NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1C[NH+]2CCC1CC2	REAL300030396538	0	56	0.0	-77.65	408.92	1.34	-76.31
C[C@@H]1[C@H](C(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300030396568	0	55	0.0	-76.79	403.65	0.38	-76.41
C[C@@H]1[C@H](C(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300030396568	1	55	0.0	-74.22	409.53	0.67	-73.55
CC[C@@H]1[C@@H](C(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300030396570	0	58	0.0	-75.06	423.63	1.07	-73.99
CC[C@@H]1[C@@H](C(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300030396570	1	58	0.0	-74.93	430.12	1.48	-73.45
CC[N@@H+]1CCOC(C(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030396575	1	56	0.0	-77.09	415.78	0.47	-76.62
CC[N@H+]1CCOC(C(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030396575	1	56	0.0	-77.63	415.77	0.51	-77.12
CC1CCC(C)[NH+]1CC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030396625	0	58	0.0	-69.88	424.86	1.50	-68.38
O=C(CCC[NH+]1CCCC1)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030396628	0	58	0.0	-73.67	437.32	1.94	-71.73
O=C(CC[NH+]1CCCCC1)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030396631	0	58	0.0	-73.84	431.03	1.81	-72.03
CC[N@@H+]1CCCCC1C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030396634	0	58	0.0	-68.56	427.46	1.75	-66.81
CC[N@H+]1CCCCC1C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030396634	1	58	0.0	-70.46	417.83	1.49	-68.97
C[NH+](C)C1(C(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300030396644	0	55	0.0	-77.24	403.51	0.84	-76.40
CC(C)[C@@H](C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030396650	0	57	0.0	-71.59	412.96	1.02	-70.57
C[N@H+](CC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300030396671	0	55	0.0	-70.68	413.70	1.38	-69.30
C[N@@H+](CC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300030396671	1	55	0.0	-71.23	413.60	1.37	-69.86
C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030396729	1	54	0.0	-71.53	414.26	1.27	-70.26
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030396729	1	54	0.0	-72.39	420.54	1.83	-70.56
C[N@@H+]1CCCC1CCC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030396734	0	58	0.0	-76.64	434.87	1.90	-74.74
C[N@H+]1CCCC1CCC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030396734	1	58	0.0	-72.82	429.59	1.56	-71.26
C[NH+]1CCC(C(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030396750	0	55	0.0	-77.47	412.06	1.10	-76.37
C[N@@H+]1CCCCC1C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030396781	0	55	0.0	-70.85	409.26	0.98	-69.87
C[N@H+]1CCCCC1C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030396781	1	55	0.0	-71.75	400.13	0.81	-70.94
O=C(NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN2C=[NH+]C=C2C=C1	REAL300030396834	0	50	0.0	-74.50	397.65	2.90	-71.60
O=C(CC[NH+]1CCOCC1)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030396840	1	56	0.0	-77.75	422.74	-0.56	-78.31
CC1=C[NH+]=CN1CC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030396853	1	50	0.0	-72.79	396.20	1.69	-71.10
O=C(NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CCC[NH+]1CCC2	REAL300030396869	0	56	0.0	-74.36	412.07	1.39	-72.97
C[N@@H+]1CCC(CC(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030396876	0	55	0.0	-74.60	414.26	0.96	-73.64
C[N@H+]1CCC(CC(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030396876	1	55	0.0	-76.27	414.05	1.09	-75.18
CCC(C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030396883	0	54	0.0	-69.53	395.81	0.65	-68.88
O=C(NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC2=C[NH+]=CN2C=C1	REAL300030396907	1	50	0.0	-79.08	397.93	2.92	-76.16
C[NH+](C)CCCCC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030396932	0	57	0.0	-75.77	432.85	1.53	-74.24
CC(C)C(C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030396944	0	57	0.0	-70.83	416.79	1.66	-69.17
CCC[N@H+](C)CCC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030396945	0	57	0.0	-75.18	429.08	1.36	-73.82
CCC[N@@H+](C)CCC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030396945	1	57	0.0	-75.72	429.07	1.39	-74.33
CCC[N@H+](C)CC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030396948	0	54	0.0	-73.97	406.70	0.84	-73.13
CCC[N@@H+](C)CC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030396948	1	54	0.0	-72.93	406.72	0.82	-72.11
O=C(NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CC[N@H+](C1)CCC2	REAL300030396961	0	56	0.0	-78.33	409.64	0.78	-77.55
O=C(NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CC[N@@H+](C1)CCC2	REAL300030396961	1	56	0.0	-75.07	409.33	0.72	-74.35
C[N@@H+]1CCC[C@@H]1C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030396985	0	52	0.0	-73.01	387.37	-0.04	-73.05
C[N@H+]1CCC[C@@H]1C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030396985	1	52	0.0	-71.14	394.05	0.57	-70.57
CC[NH+](CC)CC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397014	0	54	0.0	-71.31	403.38	0.83	-70.48
CC1CC[NH+](CC(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030397068	0	58	0.0	-73.70	430.60	1.99	-71.71
C[NH+](C)CC1(C(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030397088	0	55	0.0	-77.41	419.44	1.17	-76.24
C[NH+]1CCC(C(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030397136	0	55	0.0	-77.47	412.06	1.10	-76.37
CC(C)[C@H](C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030397151	0	57	0.0	-70.48	415.03	1.78	-68.70
CCC(C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](CC)CC	REAL300030397179	0	60	0.0	-66.95	431.33	1.98	-64.97
CC[N@H+](C)CCC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397210	0	54	0.0	-74.50	407.58	0.59	-73.91
CC[N@@H+](C)CCC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397210	1	54	0.0	-74.39	407.58	0.61	-73.78
CC1CCC[N@@H+]1CC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397234	0	55	0.0	-71.13	413.74	1.16	-69.97
CC1CCC[N@H+]1CC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397234	1	55	0.0	-71.60	412.86	1.28	-70.32
CC1CC[N@H+](CC(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030397235	0	55	0.0	-71.93	413.74	1.05	-70.88
CC1CC[N@@H+](CC(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030397235	1	55	0.0	-72.32	413.07	1.18	-71.14
CC1(C)CC[N@H+](CC(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030397238	0	58	0.0	-72.81	432.93	1.78	-71.03
CC1(C)CC[N@@H+](CC(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030397238	1	58	0.0	-73.66	433.27	1.76	-71.90
C[N@H+](CC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300030397239	0	60	0.0	-72.85	437.76	2.08	-70.77
C[N@@H+](CC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300030397239	1	60	0.0	-73.44	437.71	1.97	-71.47
CC[C@@H](C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030397246	0	54	0.0	-70.69	396.99	0.47	-70.22
C[NH+](C)CC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397331	0	48	0.0	-73.28	367.49	-0.60	-73.88
O=C(C[NH+]1CCCCCC1)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397334	0	58	0.0	-72.46	418.81	1.44	-71.02
CN1C=C[N+](CC(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030397337	0	50	0.0	-71.76	398.70	2.94	-68.82
C[N@@H+]1CCCC(C(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030397341	0	55	0.0	-67.73	406.07	1.36	-66.37
C[N@H+]1CCCC(C(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030397341	1	55	0.0	-68.83	406.04	1.34	-67.49
O=C(NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC[N@@H+]1C1CC1	REAL300030397346	0	56	0.0	-69.25	425.22	2.04	-67.21
O=C(NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC[N@H+]1C1CC1	REAL300030397346	1	56	0.0	-71.57	417.86	1.27	-70.30
CC(C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC1	REAL300030397358	1	52	0.0	-70.53	395.83	0.61	-69.92
CCC(CC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300030397362	0	60	0.0	-79.56	442.43	2.09	-77.47
C[NH+](C)CC(C)(C)C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397367	0	57	0.0	-73.82	414.78	1.20	-72.62
O=C(C[NH+]1CCC(O)CC1)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397378	1	56	0.0	-77.95	420.84	-1.98	-79.93
C[N@H+](CC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300030397379	0	52	0.0	-70.44	396.90	0.80	-69.64
C[N@@H+](CC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300030397379	1	52	0.0	-70.16	396.75	0.80	-69.36
C[NH+]1CC(CC(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030397393	0	52	0.0	-74.41	398.91	0.26	-74.15
CC(C)(C)[N@@H+]1CCC1C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397403	0	58	0.0	-70.24	429.09	1.11	-69.13
CC(C)(C)[N@H+]1CCC1C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397403	1	58	0.0	-70.16	429.40	1.21	-68.95
C[C@@H](C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030397414	0	51	0.0	-71.26	385.60	-0.06	-71.32
[NH2+]=C1SC=CN1CC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397466	0	48	0.0	-68.62	394.55	-0.43	-69.05
C[N@H+](CCO)CCC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397471	0	55	0.0	-74.94	417.92	-2.57	-77.51
C[N@@H+](CCO)CCC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397471	1	55	0.0	-74.11	417.83	-2.64	-76.75
C[C@@H](C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030397472	0	51	0.0	-71.26	385.60	-0.06	-71.32
C[N@@H+]1CCCC[C@@H]1C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397475	0	55	0.0	-70.86	399.98	0.88	-69.98
C[N@H+]1CCCC[C@@H]1C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397475	1	55	0.0	-70.31	409.25	0.97	-69.34
O=C(C[NH+]1CCC1)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397520	1	49	0.0	-73.50	377.79	-0.04	-73.54
C[N@@H+]1CCC(=CC(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030397536	0	53	0.0	-76.65	406.33	0.95	-75.70
C[N@H+]1CCC(=CC(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030397536	1	53	0.0	-76.86	406.54	1.08	-75.78
C[NH+](C)CCOCC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397556	0	55	0.0	-72.74	423.36	0.46	-72.28
C=CCC(C)(C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030397568	0	58	0.0	-77.98	422.20	1.83	-76.15
C[N@@H+]1CC(O)CC1(C)C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397586	0	56	0.0	-78.53	415.57	-2.10	-80.63
CC1CN(CC(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030397603	0	52	0.0	-73.91	398.74	0.53	-73.38
CC1C[NH+](CC(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030397603	1	52	0.0	-73.91	398.74	0.53	-73.38
CN(CCO)CC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397621	0	52	0.0	-73.63	395.77	-3.03	-76.66
C[N@H+](CCO)CC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397621	1	52	0.0	-74.13	395.46	-3.14	-77.27
C[N@@H+](CCO)CC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397621	1	52	0.0	-74.13	395.46	-3.14	-77.27
CC[N@@H+]1CCCC(C(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030397640	0	58	0.0	-72.20	429.97	1.83	-70.37
CC[N@H+]1CCCC(C(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030397640	1	58	0.0	-72.20	429.97	1.83	-70.37
CC(CC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300030397642	0	57	0.0	-74.64	424.67	1.40	-73.24
CC[N@H+](C)CC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397646	0	51	0.0	-72.90	385.42	0.20	-72.70
CC[N@H+](CC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300030397673	0	55	0.0	-71.05	413.41	1.41	-69.64
CC[NH+](CC)CCC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397682	0	57	0.0	-73.90	425.61	1.41	-72.49
CC1(C)CN(CC(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030397698	0	55	0.0	-73.52	418.09	1.11	-72.41
CC1(C)C[NH+](CC(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030397698	1	55	0.0	-73.52	418.09	1.11	-72.41
CC1(O)CC[N@H+](CC(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030397715	0	56	0.0	-73.46	423.57	-2.11	-75.57
C[NH+](C)CC=CC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397718	0	52	0.0	-77.96	404.71	0.65	-77.31
CC(OCC[NH+](C)C)C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397726	0	58	0.0	-70.51	443.14	1.15	-69.36
C[NH+](C)CCOCCC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397732	0	58	0.0	-74.12	444.12	0.20	-73.92
COCCN(C)CC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397733	0	55	0.0	-74.07	417.71	-0.74	-74.81
COCC[N@H+](C)CC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397733	1	55	0.0	-73.91	418.02	-0.63	-74.54
COCC[N@@H+](C)CC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397733	1	55	0.0	-73.91	418.02	-0.63	-74.54
C[NH+](C)C1(C(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCCC1	REAL300030397752	0	58	0.0	-77.86	419.22	2.01	-75.85
CC(CCC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030397754	0	57	0.0	-76.67	421.05	1.21	-75.46
CCN1CCC1C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397760	0	52	0.0	-71.83	392.36	0.13	-71.70
CC[N@@H+]1CCC1C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397760	1	52	0.0	-72.34	399.34	0.57	-71.77
CC[N@H+]1CCC1C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397760	1	52	0.0	-72.34	399.34	0.57	-71.77
O=C(C[N@H+]1CCCC1CO)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397771	0	56	0.0	-73.24	417.01	-2.56	-75.80
C[NH+]1CCC(C)(C(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030397791	0	58	0.0	-73.47	424.95	1.61	-71.86
C=CCC(C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030397808	0	55	0.0	-71.81	415.70	1.18	-70.63
C[N@@H+]1CC(C)(C)CC1C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397815	0	58	0.0	-73.09	421.50	0.99	-72.10
C[N@H+]1CC(C)(C)CC1C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397815	1	58	0.0	-73.09	421.50	0.99	-72.10
C[NH+](C)CCCCCC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397817	0	60	0.0	-75.05	454.34	2.32	-72.73
CCCC(C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030397835	0	57	0.0	-71.83	422.48	1.39	-70.44
C[NH+](C)C(C)(C)C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397838	0	54	0.0	-75.85	394.95	0.56	-75.29
C[N@@H+]1CCCCC1C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397862	0	55	0.0	-70.85	409.26	0.98	-69.87
C[N@H+]1CCCCC1C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397862	1	55	0.0	-71.75	400.13	0.81	-70.94
C[N@H+]1CC=C(CC(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030397883	0	56	0.0	-72.27	426.83	1.87	-70.40
C[N@@H+]1CC=C(CC(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030397883	1	56	0.0	-70.32	426.62	1.73	-68.59
O=C(C=CC[NH+]1CCCC1)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397915	0	56	0.0	-76.50	429.78	1.85	-74.65
C[NH+](C)C1(C(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030397943	0	52	0.0	-76.86	393.48	0.07	-76.79
O=C(CC[NH+]1CCCC1)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397944	0	55	0.0	-74.45	415.80	1.16	-73.29
O=C(NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1C[NH+]2CCN1CC2	REAL300030397966	0	55	0.0	-78.39	403.62	-2.13	-80.52
C[N@@H+]1CC2CC1(C(=O)NCCC1(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300030397970	0	53	0.0	-75.81	400.14	0.65	-75.16
C[N@H+]1CC2CC1(C(=O)NCCC1(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300030397970	1	53	0.0	-76.05	398.23	0.51	-75.54
O=C(C[N@@H+]1CC2CCC1C2)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397975	0	56	0.0	-70.36	411.86	1.41	-68.95
O=C(C[N@H+]1CC2CCC1C2)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397975	1	56	0.0	-72.26	414.12	1.59	-70.67
O=C(C[N@@H+]1CC2C=CC1C2)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030398013	1	54	0.0	-72.47	407.05	1.47	-71.00
O=C(C[N@H+]1CC2C=CC1C2)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030398013	1	54	0.0	-71.49	406.77	1.50	-69.99
CC(C[NH+](C)C)C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030398044	0	54	0.0	-74.43	406.03	0.76	-73.67
C[N@@H+]1CCCCC1CC(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030398085	0	58	0.0	-76.04	426.69	1.70	-74.34
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CC(C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CC(C)C1	REAL300030398094	0	55	0.0	-70.57	415.11	1.14	-69.43
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CC(C)[N@@H+]1CCCC1C(=O)N1CCC(O)(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030399104	0	58	0.0	-65.70	425.05	1.51	-64.19
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CC(C)[C@@H](C(=O)N1CCC(O)(CCNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030399111	0	57	0.0	-68.61	410.06	1.28	-67.33
CC1CC[N@H+](CC(=O)N2CCC(O)(CCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030399124	0	55	0.0	-69.45	416.83	1.30	-68.15
CC1CC[N@@H+](CC(=O)N2CCC(O)(CCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030399124	1	55	0.0	-69.65	416.75	1.37	-68.28
CC1(C)CC[N@H+](CC(=O)N2CCC(O)(CCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030399127	0	58	0.0	-69.82	435.77	1.88	-67.94
CC1(C)CC[N@@H+](CC(=O)N2CCC(O)(CCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030399127	1	58	0.0	-69.69	436.17	1.88	-67.81
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CC[C@@H](C(=O)N1CCC(O)(CCNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030399135	0	54	0.0	-66.88	394.93	0.44	-66.44
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CC[N@@H+]1CCOC(C(=O)N2CCC(O)(CCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030399272	1	56	0.0	-78.75	421.22	0.53	-78.22
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CC[N@H+](CC(=O)N1CCC(O)(CCNC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300030399999	0	55	0.0	-67.43	416.98	1.65	-65.78
C[N@@H+]1CC2CC1(C(=O)N1CCC(O)(CCNC(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300030400024	0	53	0.0	-70.45	397.43	0.58	-69.87
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CC[N@@H+]1CCC1C(=O)N1CCC(O)(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030400075	0	52	0.0	-69.55	401.73	0.58	-68.97
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CCCC(C(=O)N1CCC(O)(CCNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030400114	0	57	0.0	-69.18	421.66	1.42	-67.76
C[NH+](C)C(C)(C)C(=O)N1CCC(O)(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030400118	0	54	0.0	-72.22	390.63	0.07	-72.15
CC(CC[NH+](C)C)C(=O)N1CCC(O)(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030400131	0	57	0.0	-76.58	429.01	1.35	-75.23
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC(O)(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030400181	0	58	0.0	-68.21	429.49	1.23	-66.98
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC(O)(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030400181	1	58	0.0	-68.21	429.49	1.23	-66.98
C[NH+](C)CCCCCC(=O)N1CCC(O)(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030400183	0	60	0.0	-73.20	457.48	2.59	-70.61
CN1CCN(CC(=O)N2CCC(O)(CCNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030400190	0	57	0.0	-71.68	429.60	-0.89	-72.57
C[NH+]1CCN(CC(=O)N2CCC(O)(CCNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030400190	1	57	0.0	-71.68	429.60	-0.89	-72.57
CC1CN(C)CC(C(=O)N2CCC(O)(CCNC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300030400236	0	56	0.0	-79.91	417.94	0.58	-79.33
CC1C[N@H+](C)CC(C(=O)N2CCC(O)(CCNC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300030400236	1	56	0.0	-84.16	418.03	0.25	-83.91
CC1C[N@@H+](C)CC(C(=O)N2CCC(O)(CCNC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300030400236	1	56	0.0	-84.16	418.03	0.25	-83.91
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C[N@@H+]1CCCCC1C(=O)N1CCC(O)(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030400282	0	55	0.0	-69.60	400.01	0.75	-68.85
C[N@@H+]1CCC(=CC(=O)N2CCC(O)(CCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030400343	0	53	0.0	-74.73	408.40	1.20	-73.53
C[N@H+]1CCC(=CC(=O)N2CCC(O)(CCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030400343	1	53	0.0	-74.73	408.40	1.20	-73.53
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C[NH+](C)C1(C(=O)N2CCC(O)(CCNC(=O)C3=CC(=O)[N-]O3)CC2)CCCC1	REAL300030400396	0	58	0.0	-66.39	406.78	1.21	-65.18
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030400414	0	52	0.0	-69.24	388.92	0.18	-69.06
C[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030400414	1	52	0.0	-69.24	388.92	0.18	-69.06
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C[NH+](C)CCC1(C(=O)N2CCC(O)(CCNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030400504	0	58	0.0	-72.89	444.17	2.05	-70.84
C[N@@H+]1CC=CCC1CC(=O)N1CCC(O)(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030400505	0	56	0.0	-65.01	416.77	1.67	-63.34
C[N@H+]1CC=CCC1CC(=O)N1CCC(O)(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030400505	1	56	0.0	-65.01	416.77	1.67	-63.34
C[NH+](C)CCOCC(=O)N1CCC(O)(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030400534	0	55	0.0	-71.22	426.46	0.75	-70.47
[NH2+]=C1SC=CN1CC(=O)N1CCC(O)(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030400559	0	48	0.0	-66.70	397.64	-0.19	-66.89
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC(O)(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030400592	0	58	0.0	-69.46	441.80	1.19	-68.27
O=C(C[NH+]1CCCCC1)N1CCC(O)(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030400617	0	55	0.0	-69.87	412.34	1.49	-68.38
C[N@@H+]1CCCC(C(=O)N2CCC(O)(CCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030400618	0	55	0.0	-76.15	414.71	1.18	-74.97
C[N@H+]1CCCC(C(=O)N2CCC(O)(CCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030400618	1	55	0.0	-71.25	404.61	1.03	-70.22
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CC1CC[N@H+]1CC(=O)N1CCC(O)(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030400820	1	52	0.0	-68.27	396.93	0.51	-67.76
C[NH+](C)CC=CC(=O)N1CCC(O)(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030400826	0	52	0.0	-75.71	406.75	0.90	-74.81
CC1(C)C[NH+](CC(=O)N2CCC(O)(CCNC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030400832	1	55	0.0	-72.48	420.95	1.23	-71.25
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CC[NH+](CC)CC(=O)N1CCC(O)(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030400871	0	54	0.0	-68.61	406.60	0.98	-67.63
O=C(C[NH+]1CCC1)N1CCC(O)(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030400880	1	49	0.0	-70.93	380.86	0.11	-70.82
CC[NH+](CC)CCC(=O)N1CCC(O)(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030400908	0	57	0.0	-71.57	428.56	1.58	-69.99
CC(C(=O)N1CCC(O)(CCNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC1	REAL300030400960	0	52	0.0	-68.75	397.59	0.47	-68.28
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C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(O)(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030401002	0	55	0.0	-68.13	399.96	0.66	-67.47
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(O)(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030401002	1	55	0.0	-66.70	409.90	1.15	-65.55
C[NH+](C)CC(O)CC(=O)N1CCC(O)(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030401023	0	55	0.0	-76.28	423.22	-1.30	-77.58
C=CCC(C(=O)N1CCC(O)(CCNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030401044	0	55	0.0	-68.81	414.35	1.17	-67.64
C[NH+]1CCC(C)(C(=O)N2CCC(O)(CCNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030401056	0	58	0.0	-70.62	418.25	1.11	-69.51
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCC[N@@H+]1C	REAL300030401267	0	48	0.0	-68.30	369.43	4.01	-64.29
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCC[N@H+]1C	REAL300030401267	1	48	0.0	-66.44	368.07	3.99	-62.45
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1C[N@H+](C)CCO1	REAL300030401291	1	49	0.0	-82.25	376.27	3.38	-78.87
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1C[N@@H+](C)CCO1	REAL300030401291	1	49	0.0	-68.08	370.49	3.20	-64.88
CC(C)C1=[NH+]C=CN1CCC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030401475	1	55	0.0	-65.93	429.42	6.36	-59.57
CC(C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300030401482	0	57	0.0	-67.20	411.13	5.50	-61.70
CC(C)[N@@H+]1CCCCC1C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030401484	0	57	0.0	-66.64	402.32	5.25	-61.39
CC(C)[N@H+]1CCCCC1C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030401484	1	57	0.0	-65.78	414.11	5.61	-60.17
CC(C)[N@@H+]1CCCC1C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030401518	0	54	0.0	-66.35	398.88	5.07	-61.28
CC(C)[N@H+]1CCCC1C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030401518	1	54	0.0	-64.81	385.28	4.29	-60.52
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC2CCCC[N@@H+]2C1	REAL300030401544	0	55	0.0	-66.90	410.17	5.80	-61.10
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC2CCCC[N@H+]2C1	REAL300030401544	1	55	0.0	-69.47	412.58	5.74	-63.73
CC(C)C1=[NH+]C=CN1CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030401577	1	52	0.0	-65.40	410.40	5.82	-59.58
CC1=[NH+]C=CN1CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030401631	1	46	0.0	-66.34	374.20	4.68	-61.66
CC(C[NH+]1CCOCC1)C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030401633	0	55	0.0	-72.56	411.14	3.55	-69.01
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCC[NH+]1CCCCC1	REAL300030401655	0	57	0.0	-71.28	429.06	6.40	-64.88
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C(C)(C)[NH+]1CCCCC1	REAL300030401682	0	57	0.0	-67.04	408.66	5.68	-61.36
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1C[NH+]2CCC1CC2	REAL300030401701	0	52	0.0	-73.27	380.28	4.70	-68.57
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCCC2CCC[N@@H+]21	REAL300030401759	0	55	0.0	-66.01	396.35	5.28	-60.73
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCCC2CCC[N@H+]21	REAL300030401759	1	55	0.0	-63.34	407.60	5.84	-57.50
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300030401761	0	54	0.0	-87.32	423.18	4.30	-83.02
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300030401776	0	54	0.0	-88.11	425.68	4.96	-83.15
C[C@@H]1[C@H](C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030401783	0	51	0.0	-71.83	378.99	4.04	-67.79
C[C@@H]1[C@H](C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030401783	1	51	0.0	-74.17	382.30	4.86	-69.31
CCC1=[NH+]C=CN1C(C)CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030401786	1	55	0.0	-67.07	429.95	6.39	-60.68
CC[C@@H]1[C@@H](C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030401789	0	54	0.0	-74.42	395.72	4.66	-69.76
CC[C@@H]1[C@@H](C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030401789	1	54	0.0	-67.21	399.75	5.15	-62.06
CC[N@@H+]1CCOC(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030401815	1	52	0.0	-69.00	383.74	3.85	-65.15
CC[N@H+]1CCOC(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030401815	1	52	0.0	-67.26	387.93	3.84	-63.42
CC[NH+](CC)CC(F)C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030401875	0	53	0.0	-74.54	405.59	5.17	-69.37
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=C(C[NH+](C)C)C=CS1	REAL300030401876	0	51	0.0	-62.23	406.38	5.24	-56.99
CC1CCC(C)[NH+]1CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030401981	0	54	0.0	-66.87	401.65	5.22	-61.65
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCC[NH+]1CCCC1	REAL300030401988	0	54	0.0	-71.24	413.57	5.73	-65.51
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC(C[NH+](C)C)=CC=C1	REAL300030401989	0	54	0.0	-75.66	422.44	6.32	-69.34
C#CC[NH+]1CCC(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030401996	0	53	0.0	-76.82	408.32	5.73	-71.09
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC[NH+]1CCCCC1	REAL300030401997	0	54	0.0	-71.25	407.55	5.60	-65.65
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC=CC=C1C[NH+](C)C	REAL300030402001	0	54	0.0	-64.63	417.06	6.54	-58.09
CC[N@@H+]1CCCCC1C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030402010	0	54	0.0	-67.96	391.54	4.91	-63.05
CC[N@H+]1CCCCC1C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030402010	1	54	0.0	-67.72	401.29	5.37	-62.35
CC(C)C(C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300030402011	0	60	0.0	-65.58	433.21	6.81	-58.77
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C(C1=CC=CC=C1)[NH+](C)C	REAL300030402014	1	54	0.0	-71.58	415.82	6.39	-65.19
CC(C)C[N@@H+]1CCC(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030402040	0	57	0.0	-70.17	427.36	5.97	-64.20
CC(C)C[N@H+]1CCC(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030402040	1	57	0.0	-69.82	426.34	6.01	-63.81
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1([NH+](C)C)CCC1	REAL300030402044	0	51	0.0	-68.22	372.17	4.03	-64.19
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C(CN1C=CC=N1)[NH+](C)C	REAL300030402046	1	54	0.0	-79.90	411.16	5.08	-74.82
CC(C)[N@@H+]1CCCC1CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030402051	0	57	0.0	-68.18	417.54	5.51	-62.67
CC(C)[N@H+]1CCCC1CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030402051	1	57	0.0	-66.17	413.05	5.24	-60.93
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCC[N@@H+]1C1CCCC1	REAL300030402052	0	58	0.0	-67.25	422.24	6.50	-60.75
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCC[N@H+]1C1CCCC1	REAL300030402052	1	58	0.0	-69.13	422.34	6.36	-62.77
CC(C)[C@@H](C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030402073	0	53	0.0	-67.03	384.60	4.88	-62.15
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@H+](C)C1CCC1	REAL300030402135	0	51	0.0	-67.44	390.13	5.12	-62.32
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@@H+](C)C1CCC1	REAL300030402135	1	51	0.0	-67.83	390.98	5.05	-62.78
CC(C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300030402221	0	57	0.0	-65.74	411.82	5.50	-60.24
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCN(C)C1=CC=[NH+]C=C1	REAL300030402300	0	53	0.0	-66.95	418.75	4.87	-62.08
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030402312	1	50	0.0	-65.92	390.07	4.86	-61.06
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030402312	1	50	0.0	-67.57	392.62	5.29	-62.28
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCC1CCC[N@@H+]1C	REAL300030402322	0	54	0.0	-69.68	406.02	5.18	-64.50
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCC1CCC[N@H+]1C	REAL300030402322	1	54	0.0	-72.76	410.72	5.67	-67.09
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C12CCC[NH+](CCC1)C2	REAL300030402335	0	55	0.0	-71.07	391.77	4.81	-66.26
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCC2CCCC[N@@H+]21	REAL300030402343	0	55	0.0	-65.46	403.80	5.65	-59.81
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCC2CCCC[N@H+]21	REAL300030402343	1	55	0.0	-65.06	403.55	5.57	-59.49
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C(C)(C)C[NH+]1CCOCC1	REAL300030402351	0	58	0.0	-67.21	411.40	3.73	-63.48
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCCC[NH+]1CCCC1	REAL300030402371	0	57	0.0	-72.15	435.34	6.52	-65.63
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300030402374	1	54	0.0	-74.22	420.46	6.74	-67.48
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300030402374	1	54	0.0	-74.54	420.66	6.75	-67.79
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC[NH+](C)CC1	REAL300030402391	0	51	0.0	-77.42	383.62	4.57	-72.85
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300030402451	1	50	0.0	-78.53	402.20	4.52	-74.01
CC1=C(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300030402453	0	49	0.0	-71.05	399.10	6.92	-64.13
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCCC[N@@H+]1C	REAL300030402496	0	51	0.0	-71.90	376.75	4.39	-67.51
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCCC[N@H+]1C	REAL300030402496	1	51	0.0	-68.68	382.38	4.66	-64.02
CC(C)C[N@@H+]1CCCC1C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030402527	0	57	0.0	-67.03	424.07	5.81	-61.22
CC(C)C[N@H+]1CCCC1C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030402527	1	57	0.0	-68.03	424.18	6.17	-61.86
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300030402684	0	46	0.0	-78.05	378.81	6.51	-71.54
CC1=[NH+]C=CN1CCCC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030402697	1	52	0.0	-69.07	414.95	6.11	-62.96
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCCC[NH+]1CCOCC1	REAL300030402701	1	58	0.0	-75.12	442.27	4.80	-70.32
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300030402707	0	54	0.0	-82.52	420.52	6.30	-76.22
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC[NH+]1CCOCC1	REAL300030402708	1	52	0.0	-74.62	400.02	3.13	-71.49
CCC[NH+](CCC)CCCC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030402733	0	62	0.0	-72.14	462.84	7.04	-65.10
CC1=C[NH+]=CN1CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030402753	1	46	0.0	-66.93	372.72	5.46	-61.47
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CN1C=[NH+]C2=C1CCCC2	REAL300030402764	1	53	0.0	-65.99	415.34	7.21	-58.78
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1(C[NH+](C)C)CCCCC1	REAL300030402808	0	60	0.0	-80.97	417.06	6.36	-74.61
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC[N@H+](C)C1CCCCC1	REAL300030402814	0	60	0.0	-72.53	442.42	6.80	-65.73
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC[N@@H+](C)C1CCCCC1	REAL300030402814	1	60	0.0	-72.74	443.16	6.70	-66.04
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C12CCC[NH+]1CCC2	REAL300030402819	0	52	0.0	-65.38	381.48	4.47	-60.91
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCCC([NH+](C)C)C1	REAL300030402858	0	57	0.0	-63.74	411.54	5.66	-58.08
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1CC[N@H+](C)C1	REAL300030402863	0	51	0.0	-72.34	391.19	4.71	-67.63
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1CC[N@@H+](C)C1	REAL300030402863	1	51	0.0	-73.93	391.29	4.72	-69.21
CN(C)C1=CC=[NH+]C=C1C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030402877	0	50	0.0	-80.59	395.30	2.94	-77.65
CCC(C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030402883	0	50	0.0	-67.00	372.21	4.25	-62.75
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1([NH+](C)C)CCCC1	REAL300030402903	0	57	0.0	-74.63	407.55	5.62	-69.01
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300030402968	1	46	0.0	-77.97	371.11	6.33	-71.64
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300030403011	1	49	0.0	-86.58	400.67	4.91	-81.67
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCCC[NH+](C)C	REAL300030403045	0	53	0.0	-73.25	410.12	5.25	-68.00
CC(C)C(C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030403067	0	53	0.0	-69.10	381.99	4.48	-64.62
CCC[N@H+](C)CCC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030403069	0	53	0.0	-72.48	405.60	5.17	-67.31
CCC[N@@H+](C)CCC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030403069	1	53	0.0	-72.46	405.60	5.18	-67.28
CCC[N@H+](C)CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030403075	0	50	0.0	-69.90	382.98	4.56	-65.34
CCC[N@@H+](C)CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030403075	1	50	0.0	-69.58	383.24	4.56	-65.02
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C12CC[N@H+](C1)CCC2	REAL300030403105	0	52	0.0	-75.95	375.20	3.92	-72.03
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C12CC[N@@H+](C1)CCC2	REAL300030403105	1	52	0.0	-79.25	375.71	3.97	-75.28
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300030403169	0	48	0.0	-68.19	367.76	4.02	-64.17
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)[C@H]1CCC[N@H+]1C	REAL300030403169	1	48	0.0	-70.28	362.99	3.64	-66.64
CC1CC2CCC(C(=O)N(C)CC3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300030403196	0	58	0.0	-70.09	427.01	6.21	-63.88
CC1CC2CCC(C(=O)N(C)CC3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300030403196	1	58	0.0	-69.75	428.52	6.21	-63.54
CCCCCC[N@H+](C)CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030403247	0	59	0.0	-71.11	447.48	6.90	-64.21
CCCCCC[N@@H+](C)CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030403247	1	59	0.0	-71.30	448.49	6.84	-64.46
CC[NH+](CC)C(C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300030403256	0	59	0.0	-63.49	422.40	5.93	-57.56
CC[NH+](CC)CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030403266	0	50	0.0	-68.68	376.33	4.15	-64.53
CCC[N@@H+]1CCCC(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030403300	0	57	0.0	-65.45	416.67	6.05	-59.40
CCC[N@H+]1CCCC(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030403300	1	57	0.0	-62.59	413.76	6.07	-56.52
CC(C)[N@@H+]1CCOC(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030403323	0	55	0.0	-65.37	404.69	4.38	-60.99
CC(C)[N@H+]1CCOC(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030403323	1	55	0.0	-76.74	412.60	4.56	-72.18
CC1CC[NH+](CC(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030403363	0	54	0.0	-70.46	407.07	5.63	-64.83
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300030403394	1	49	0.0	-78.56	397.56	4.24	-74.32
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)COC1CC[NH+](C)CC1	REAL300030403403	0	55	0.0	-77.05	425.77	5.32	-71.73
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1(C[NH+](C)C)CC1	REAL300030403420	0	51	0.0	-73.89	390.36	4.61	-69.28
CC1=[NH+]C=C2CCC(C(=O)N(C)CC3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300030403421	1	53	0.0	-65.46	408.87	5.64	-59.82
CC(C)[NH+]1CCC(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030403522	0	57	0.0	-74.71	417.93	5.77	-68.94
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC[NH+](C)CC1	REAL300030403552	0	51	0.0	-77.42	383.62	4.57	-72.85
CC(C)[C@H](C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030403575	0	53	0.0	-72.62	387.13	4.55	-68.07
CCC(C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030403612	0	56	0.0	-63.05	404.39	5.32	-57.73
CC[N@H+](C)CCC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030403707	0	50	0.0	-71.70	384.11	4.43	-67.27
CC[N@@H+](C)CCC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030403707	1	50	0.0	-71.75	384.10	4.42	-67.33
CC1CCC[N@@H+]1CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030403783	0	51	0.0	-66.75	390.10	4.78	-61.97
CC1CCC[N@H+]1CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030403783	1	51	0.0	-66.89	382.40	4.52	-62.37
CC1CC[N@H+](CC(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030403785	0	51	0.0	-69.07	389.34	4.87	-64.20
CC1CC[N@@H+](CC(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030403785	1	51	0.0	-69.15	389.28	4.86	-64.29
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1(F)CC[N@@H+](C(C)(C)C)C1	REAL300030403786	0	57	0.0	-69.42	420.68	5.29	-64.13
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1(F)CC[N@H+](C(C)(C)C)C1	REAL300030403786	1	57	0.0	-68.45	421.70	5.37	-63.08
CC1=[NH+]C=C2CC(C(=O)N(C)CC3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300030403788	1	53	0.0	-69.46	408.18	5.62	-63.84
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300030403791	0	54	0.0	-69.26	409.95	5.35	-63.91
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@H+]1CCC(C)(C)C1	REAL300030403791	1	54	0.0	-68.54	408.58	5.39	-63.15
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@H+](C)CC(C)(C)C	REAL300030403792	0	56	0.0	-70.03	414.54	5.62	-64.41
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@@H+](C)CC(C)(C)C	REAL300030403792	1	56	0.0	-70.07	414.15	5.72	-64.35
CC[C@@H](C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030403803	0	50	0.0	-67.86	376.74	4.27	-63.59
CC(COCC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300030403811	0	58	0.0	-66.81	441.16	5.86	-60.95
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC[NH+](CC2CC2)CC1	REAL300030403899	0	58	0.0	-76.77	432.83	6.78	-69.99
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1(O)CC[NH+](C)CC1	REAL300030404049	0	55	0.0	-70.60	411.25	3.52	-67.08
COCC[N@@H+]1CCCC1CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030404056	0	58	0.0	-71.52	438.68	4.85	-66.67
COCC[N@H+]1CCCC1CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030404056	1	58	0.0	-71.43	438.21	4.53	-66.90
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[NH+](C)C	REAL300030404064	0	44	0.0	-70.61	344.75	3.07	-67.54
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[NH+]1CCC(CO)CC1	REAL300030404069	0	55	0.0	-71.44	417.90	2.32	-69.12
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[NH+]1CCCCCC1	REAL300030404073	0	54	0.0	-68.32	395.09	5.22	-63.10
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N+]1=CN(C)C=C1	REAL300030404078	0	46	0.0	-68.09	375.23	6.67	-61.42
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCC[N@H+](C)C1	REAL300030404089	0	51	0.0	-61.98	374.59	4.69	-57.29
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCC[N@@H+](C)C1	REAL300030404089	1	51	0.0	-70.84	384.55	4.59	-66.25
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCC[N@@H+]1C1CC1	REAL300030404095	0	52	0.0	-65.91	399.03	5.47	-60.44
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCC[N@H+]1C1CC1	REAL300030404095	1	52	0.0	-64.87	392.61	5.25	-59.62
CC(C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030404132	1	48	0.0	-67.00	370.81	4.06	-62.94
CCC(CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030404141	0	56	0.0	-65.46	420.06	5.76	-59.70
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C(C)(C)C[NH+](C)C	REAL300030404150	0	53	0.0	-69.51	381.52	4.32	-65.19
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300030404173	0	53	0.0	-65.94	395.32	5.29	-60.65
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300030404173	1	53	0.0	-67.37	398.14	5.29	-62.08
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[NH+]1CCC(O)CC1	REAL300030404196	1	52	0.0	-74.34	397.30	1.67	-72.67
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@H+](C)C1CC1	REAL300030404198	0	48	0.0	-66.47	373.28	4.56	-61.91
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@@H+](C)C1CC1	REAL300030404198	1	48	0.0	-67.61	373.42	4.57	-63.04
CC(C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300030404199	1	56	0.0	-73.96	419.23	2.94	-71.02
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1C[NH+](C)C1	REAL300030404228	0	48	0.0	-72.21	375.45	4.02	-68.19
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC[N@@H+]1C1CCCC1	REAL300030404232	0	55	0.0	-69.88	415.05	5.95	-63.93
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC[N@H+]1C1CCCC1	REAL300030404232	1	55	0.0	-70.62	414.51	5.87	-64.75
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300030404240	0	54	0.0	-66.79	404.78	4.86	-61.93
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC[N@H+]1C(C)(C)C	REAL300030404240	1	54	0.0	-67.47	405.04	4.76	-62.71
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300030404251	0	54	0.0	-65.59	415.64	3.50	-62.09
C[C@@H](C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030404254	0	47	0.0	-69.53	358.48	3.47	-66.06
CCC1CCC[N@H+](CC(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030404306	0	57	0.0	-70.05	418.33	6.19	-63.86
CCC1CCC[N@@H+](CC(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030404306	1	57	0.0	-69.83	425.05	6.23	-63.60
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC=C(C[NH+](C)C)N1	REAL300030404315	0	52	0.0	-86.67	404.91	4.87	-81.80
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1CC2CCC(C1)[NH+]2C	REAL300030404330	0	58	0.0	-68.64	410.73	5.64	-63.00
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CN1C=CSC1=[NH2+]	REAL300030404376	0	44	0.0	-65.24	371.83	3.25	-61.99
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC[N@H+](C)CCO	REAL300030404389	0	51	0.0	-70.93	394.45	1.22	-69.71
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC[N@@H+](C)CCO	REAL300030404389	1	51	0.0	-70.65	394.40	1.19	-69.46
C[C@@H](C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030404390	0	47	0.0	-69.53	358.48	3.47	-66.06
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)[C@H]1CCCC[N@@H+]1C	REAL300030404394	0	51	0.0	-68.48	386.22	4.74	-63.74
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)[C@H]1CCCC[N@H+]1C	REAL300030404394	1	51	0.0	-72.79	376.84	4.36	-68.43
CC1CN2CC[N@@H+]1CC2C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030404404	0	54	0.0	-70.84	394.04	1.78	-69.06
CC1CN2CC[N@H+]1CC2C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030404404	1	54	0.0	-70.68	392.67	1.76	-68.92
COC1C[N@@H+]2CCCC2(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030404453	0	56	0.0	-68.17	414.31	3.54	-64.63
COC1C[N@H+]2CCCC2(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030404453	1	56	0.0	-69.16	413.85	3.59	-65.57
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1=CC2=C[NH+]=CN2C=C1	REAL300030404469	0	49	0.0	-70.04	399.15	7.30	-62.74
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@H+](C)C1CCSC1	REAL300030404502	0	52	0.0	-74.82	403.08	5.37	-69.45
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@@H+](C)C1CCSC1	REAL300030404502	1	52	0.0	-74.92	403.22	5.40	-69.52
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[NH+]1CCC1	REAL300030404503	1	45	0.0	-70.28	353.82	3.57	-66.71
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC=NC(C[NH+](C)C)=C1	REAL300030404541	1	53	0.0	-69.64	415.80	4.82	-64.82
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C=C1CC[N@H+](C)C1	REAL300030404543	0	49	0.0	-73.39	382.06	4.72	-68.67
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C=C1CC[N@@H+](C)C1	REAL300030404543	1	49	0.0	-73.70	380.66	4.74	-68.96
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1C[NH+](C2CCCCC2)C1	REAL300030404570	0	58	0.0	-75.07	434.38	6.44	-68.63
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)COCC[NH+](C)C	REAL300030404588	0	51	0.0	-69.97	400.62	4.20	-65.77
CCCCC[N@H+](C)CCC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030404595	0	59	0.0	-73.47	448.60	6.72	-66.75
CCCCC[N@@H+](C)CCC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030404595	1	59	0.0	-73.33	448.60	6.74	-66.59
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300030404605	0	55	0.0	-72.18	421.19	5.05	-67.13
C=CCC(C)(C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030404617	0	54	0.0	-71.12	388.03	4.66	-66.46
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C(O)CC[S+](C)C	REAL300030404622	0	50	0.0	-73.94	403.99	2.55	-71.39
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1(C)CC(O)C[N@@H+]1C	REAL300030404657	0	52	0.0	-72.09	379.89	0.85	-71.24
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CN(C)CC[N@H+](C)C1	REAL300030404672	0	56	0.0	-75.22	410.99	2.37	-72.85
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CN(C)CC[N@@H+](C)C1	REAL300030404672	1	56	0.0	-75.22	410.99	2.37	-72.85
CC(C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300030404673	0	55	0.0	-66.07	411.43	1.98	-64.09
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1(O)CCC[N@H+](C)C1	REAL300030404698	0	55	0.0	-68.72	405.40	3.33	-65.39
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1(O)CCC[N@@H+](C)C1	REAL300030404698	1	55	0.0	-68.72	405.40	3.33	-65.39
CC1CN(CC(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030404702	0	48	0.0	-69.58	374.89	4.24	-65.34
CC1C[NH+](CC(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030404702	1	48	0.0	-69.58	374.89	4.24	-65.34
CN(CCO)CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030404732	0	48	0.0	-71.21	372.84	0.51	-70.70
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@H+](C)CCO	REAL300030404732	1	48	0.0	-71.23	371.62	0.58	-70.65
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@@H+](C)CCO	REAL300030404732	1	48	0.0	-71.23	371.62	0.58	-70.65
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C=C1CC2CCC(C1)[NH+]2C	REAL300030404755	0	56	0.0	-69.95	415.77	6.12	-63.83
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1C[N@@H+]2CCN1CCC2	REAL300030404760	0	54	0.0	-84.82	385.82	2.61	-82.21
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1C[N@H+]2CCN1CCC2	REAL300030404760	1	54	0.0	-84.82	385.82	2.61	-82.21
CC[N@@H+]1CCCC(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030404769	0	54	0.0	-69.80	402.43	5.27	-64.53
CC[N@H+]1CCCC(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030404769	1	54	0.0	-69.80	402.43	5.27	-64.53
CC(CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030404771	0	53	0.0	-72.10	401.95	5.12	-66.98
CC[N@H+](C)CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030404787	0	47	0.0	-69.32	361.74	3.82	-65.50
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C12CCC[N@@H+]1CCCC2	REAL300030404816	0	55	0.0	-65.26	391.30	4.99	-60.27
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C12CCC[N@H+]1CCCC2	REAL300030404816	1	55	0.0	-65.26	391.30	4.99	-60.27
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C12CCC[N@@H+]1CC=CC2	REAL300030404826	0	53	0.0	-66.00	385.83	4.68	-61.32
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C12CCC[N@H+]1CC=CC2	REAL300030404826	1	53	0.0	-66.00	385.83	4.68	-61.32
CC[N@H+](CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030404854	0	51	0.0	-66.42	393.67	5.12	-61.30
CC[N@@H+](CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030404854	1	51	0.0	-67.20	390.36	5.11	-62.09
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1([NH+](C)C)CCCSC1	REAL300030404857	0	55	0.0	-72.33	397.06	4.98	-67.35
CC[NH+](CC)CCC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030404879	0	53	0.0	-70.87	402.70	5.02	-65.85
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C=C1CC[NH+](C)CC1	REAL300030404898	0	52	0.0	-71.20	397.59	5.39	-65.81
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[NH+]1CC(C)(C)C1	REAL300030404913	1	51	0.0	-70.34	395.98	4.76	-65.58
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCCC[NH+]1CCCCC1	REAL300030404919	0	60	0.0	-72.37	450.55	7.19	-65.18
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300030404954	0	52	0.0	-69.55	400.61	1.52	-68.03
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@H+]1CCC(C)(O)C1	REAL300030404954	1	52	0.0	-69.31	400.00	1.53	-67.78
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C=CC[NH+](C)C	REAL300030404967	0	48	0.0	-75.49	380.48	4.39	-71.10
CC(OCC[NH+](C)C)C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030404994	0	54	0.0	-71.93	416.66	4.70	-67.23
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCOCC[NH+](C)C	REAL300030405005	0	54	0.0	-71.96	421.57	3.92	-68.04
COCC[N@H+](C)CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030405006	1	51	0.0	-71.46	393.87	2.97	-68.49
COCC[N@@H+](C)CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030405006	1	51	0.0	-71.32	395.10	2.91	-68.41
COCCCC[N@H+](C)CCC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030405038	0	60	0.0	-76.47	460.77	5.01	-71.46
COCCCC[N@@H+](C)CCC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030405038	1	60	0.0	-76.36	460.77	5.03	-71.33
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1([NH+](C)C)CCCC1	REAL300030405064	0	54	0.0	-71.02	382.68	4.89	-66.13
CC(CCC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030405067	0	53	0.0	-71.07	402.05	4.85	-66.22
CC[N@@H+]1CCC1C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030405077	1	48	0.0	-69.83	374.14	4.04	-65.79
CC[N@H+]1CCC1C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030405077	1	48	0.0	-69.33	374.19	3.99	-65.34
CC(C)[N@@H+]1CCCC(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030405090	0	57	0.0	-61.79	408.60	5.91	-55.88
CC(C)[N@H+]1CCCC(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030405090	1	57	0.0	-75.97	414.63	5.48	-70.49
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@@H+]1CCCC1CO	REAL300030405105	0	52	0.0	-69.17	398.25	1.80	-67.37
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@H+]1CCCC1CO	REAL300030405105	1	52	0.0	-69.06	393.68	1.16	-67.90
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC2CCCC[N@@H+]2C1	REAL300030405132	0	55	0.0	-66.90	410.17	5.80	-61.10
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC2CCCC[N@H+]2C1	REAL300030405132	1	55	0.0	-69.47	412.58	5.74	-63.73
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1(C)CC[NH+](C)CC1	REAL300030405141	0	54	0.0	-63.37	387.10	4.63	-58.74
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC(C[NH+](C)C)=CN1	REAL300030405147	0	52	0.0	-74.79	407.73	4.73	-70.06
CC(C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300030405168	0	55	0.0	-71.06	406.04	1.78	-69.28
C=CCC(C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030405184	0	51	0.0	-65.33	386.24	4.52	-60.81
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300030405202	0	54	0.0	-70.56	404.77	4.70	-65.86
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC(C)(C)C[N@H+]1C	REAL300030405202	1	54	0.0	-65.78	408.78	5.16	-60.62
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCCCC[NH+](C)C	REAL300030405207	0	56	0.0	-72.85	431.61	6.03	-66.82
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[NH+]1CC2CC2C1	REAL300030405218	0	49	0.0	-69.82	379.35	5.02	-64.80
CC1C[N@@H+]2CCN1C(C(=O)N(C)CC1CCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030405255	0	54	0.0	-83.98	383.73	1.40	-82.58
CC1C[N@H+]2CCN1C(C(=O)N(C)CC1CCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030405255	1	54	0.0	-79.05	393.31	1.80	-77.25
CCCC(C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030405256	0	53	0.0	-65.37	392.41	4.86	-60.51
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C(C)(C)[NH+](C)C	REAL300030405261	0	50	0.0	-69.24	366.06	3.92	-65.32
CC[NH+](CC)CCSCC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030405302	0	57	0.0	-74.28	447.35	6.44	-67.84
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCCC[N@@H+]1C	REAL300030405314	0	51	0.0	-71.90	376.75	4.39	-67.51
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCCC[N@H+]1C	REAL300030405314	1	51	0.0	-68.68	382.38	4.66	-64.02
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1=CC[N@H+](C)CC1	REAL300030405366	0	52	0.0	-70.40	404.23	5.53	-64.87
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1=CC[N@@H+](C)CC1	REAL300030405366	1	52	0.0	-68.99	404.23	5.51	-63.48
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1([NH+]2CCCC2)CC1	REAL300030405376	0	55	0.0	-67.39	408.73	5.95	-61.44
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C(C)(C)C1CCC[N@H+](C)C1	REAL300030405435	0	60	0.0	-73.07	424.45	5.82	-67.25
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C(C)(C)C1CCC[N@@H+](C)C1	REAL300030405435	1	60	0.0	-73.07	424.45	5.82	-67.25
CN(C)CC1=CC=C(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030405440	0	51	0.0	-83.00	405.73	5.08	-77.92
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300030405440	1	51	0.0	-83.00	405.73	5.08	-77.92
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C=CC[NH+]1CCCC1	REAL300030405464	0	52	0.0	-73.50	405.21	5.59	-67.91
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC[NH+](C2CC2)CC1	REAL300030405491	0	55	0.0	-71.25	410.28	5.83	-65.42
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC[NH+]1CCCC1	REAL300030405520	0	51	0.0	-71.07	392.33	4.93	-66.14
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C12CC(C1)C[N@@H+]2C	REAL300030405578	0	49	0.0	-72.96	372.57	4.15	-68.81
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@@H+]1CC2CCC1C2	REAL300030405594	0	52	0.0	-67.57	391.33	5.21	-62.36
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@H+]1CC2CCC1C2	REAL300030405594	1	52	0.0	-67.57	391.33	5.21	-62.36
CC(C)[NH+]1CCC(CC(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030405606	0	60	0.0	-66.37	437.88	6.51	-59.86
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C=C1C[NH+]2CCC1CC2	REAL300030405657	0	53	0.0	-65.44	399.06	5.55	-59.89
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CN1CC2C=CC1C2	REAL300030405669	0	50	0.0	-67.09	383.10	5.04	-62.05
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@@H+]1CC2C=CC1C2	REAL300030405669	1	50	0.0	-65.98	384.16	4.98	-61.00
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@H+]1CC2C=CC1C2	REAL300030405669	1	50	0.0	-65.98	384.16	4.98	-61.00
CC(C[NH+](C)C)C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030405734	0	50	0.0	-69.10	379.24	4.21	-64.89
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1CCCC[N@@H+]1C	REAL300030405836	0	54	0.0	-72.87	402.98	5.33	-67.54
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1CCCC[N@H+]1C	REAL300030405836	1	54	0.0	-72.87	402.98	5.33	-67.54
CC1=C2C=C(C(=O)N(C)CC3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030405859	1	49	0.0	-74.54	400.86	7.12	-67.42
CC(C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300030405860	0	51	0.0	-68.55	390.90	4.58	-63.97
CC1CC[N@@H+]1CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030405864	1	48	0.0	-67.84	370.44	3.99	-63.85
CC1CC[N@H+]1CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030405864	1	48	0.0	-67.27	369.01	3.96	-63.31
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC(O)C[NH+](C)C	REAL300030405869	0	51	0.0	-75.42	397.23	2.14	-73.28
CC1C[N@H+](C)CC(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030405907	1	52	0.0	-81.86	391.06	4.09	-77.77
CC1C[N@@H+](C)CC(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030405907	1	52	0.0	-80.14	390.58	4.08	-76.06
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC[NH+]1CCC(O)CC1	REAL300030405919	0	55	0.0	-74.73	418.64	2.25	-72.48
CCC[N@@H+]1CCCCC1C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030405922	0	57	0.0	-68.24	422.00	6.05	-62.19
CCC[N@H+]1CCCCC1C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030405922	1	57	0.0	-67.40	417.55	5.87	-61.53
CC[NH+]1CCN(CCC(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030405927	0	59	0.0	-73.44	441.45	3.72	-69.72
CCN1CC[NH+](CCC(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030405927	1	59	0.0	-72.71	443.37	3.78	-68.93
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300030405930	0	58	0.0	-70.88	409.44	5.66	-65.22
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300030405930	1	58	0.0	-65.95	415.32	6.44	-59.51
CC(C)C[NH+]1CCC(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030405978	0	60	0.0	-76.96	440.18	6.68	-70.28
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CN1CCC([NH+](C)C)CC1	REAL300030406004	0	59	0.0	-71.43	436.96	3.83	-67.60
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300030406026	0	51	0.0	-74.37	391.83	4.84	-69.53
CC(CC[NH+](C)C)C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030406034	0	53	0.0	-73.24	402.04	4.78	-68.46
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300030406068	0	55	0.0	-69.28	416.80	2.38	-66.90
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O	REAL300030406068	1	55	0.0	-66.10	415.21	2.47	-63.63
C#CC[N@H+]1CCCCC1C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030406077	1	53	0.0	-66.68	398.05	5.39	-61.29
C#CC[N@@H+]1CCCCC1C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030406077	1	53	0.0	-68.00	409.25	5.80	-62.20
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CN1CC[NH+](C)CC1	REAL300030406083	1	53	0.0	-71.58	402.64	2.63	-68.95
CC[NH+]1CCN(CC(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030406092	0	56	0.0	-66.25	420.49	3.33	-62.92
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CSC(N)=[NH2+]	REAL300030406124	0	42	0.0	-72.22	353.28	0.03	-72.19
CC[N@@H+]1CCOCC1CC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030406172	0	55	0.0	-75.68	410.65	3.67	-72.01
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1(CC[NH+](C)C)CCCC1	REAL300030406191	0	60	0.0	-72.23	430.99	6.16	-66.07
CC1CCCC(C)[NH+]1CCC(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030406193	0	60	0.0	-68.33	435.34	6.22	-62.11
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCC([NH+](C)C)CC1	REAL300030406196	0	57	0.0	-56.76	408.24	5.52	-51.24
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1(CC[NH+](C)C)CC1	REAL300030406197	0	54	0.0	-66.17	412.04	5.42	-60.75
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300030406201	0	57	0.0	-72.24	411.41	5.59	-66.65
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1CC=CC[N@@H+]1C	REAL300030406202	0	52	0.0	-75.94	394.96	5.25	-70.69
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1CC=CC[N@H+]1C	REAL300030406202	1	52	0.0	-75.94	394.96	5.25	-70.69
C[C@@H](OCC[NH+](C)C)C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030406232	0	54	0.0	-72.32	416.28	4.68	-67.64
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC2CCC(C1)[NH+]2C	REAL300030406266	0	55	0.0	-64.99	369.92	4.43	-60.56
CC(C(=O)N(C)CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300030406419	1	52	0.0	-71.36	399.68	5.08	-66.28
CCC1C[NH+](CC(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030406422	0	51	0.0	-70.36	396.29	5.00	-65.36
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1C[NH+](C2CCOCC2)C1	REAL300030406424	0	56	0.0	-75.33	426.10	4.10	-71.23
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1([NH+]2CCCC2)CCC1	REAL300030406426	0	55	0.0	-67.80	398.18	5.38	-62.42
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300030406437	0	48	0.0	-71.74	365.49	3.69	-68.05
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300030406437	1	48	0.0	-68.53	368.77	3.94	-64.59
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC[N@H+]1CCC(F)C1	REAL300030406447	1	51	0.0	-75.10	398.98	4.92	-70.18
COC1C[N@@H+](C)C(C)(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030406456	1	55	0.0	-66.66	403.58	2.93	-63.73
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC[NH+]1CCCCCC1	REAL300030406469	0	57	0.0	-72.29	418.19	5.86	-66.43
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[NH+]1CCCCC1	REAL300030406471	0	51	0.0	-69.78	385.85	5.04	-64.74
CC1C(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030406481	0	51	0.0	-70.41	379.07	4.40	-66.01
CC1C(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030406481	1	51	0.0	-71.43	382.03	4.24	-67.19
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCC1CCCC[N@@H+]1C	REAL300030406484	0	57	0.0	-69.87	425.39	6.15	-63.72
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCC1CCCC[N@H+]1C	REAL300030406484	1	57	0.0	-68.13	424.05	6.12	-62.01
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC[N@@H+]2CCOCC12	REAL300030406520	0	53	0.0	-66.33	389.89	3.27	-63.06
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC[N@H+]2CCOCC12	REAL300030406520	1	53	0.0	-69.34	394.75	3.26	-66.08
CC1=[NH+]C=C2C=CC(C(=O)N(C)CC3CCN(C(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300030406528	0	49	0.0	-68.83	392.27	6.07	-62.76
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1COCCN1C	REAL300030406548	0	52	0.0	-68.86	387.26	2.81	-66.05
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1COCC[N@@H+]1C	REAL300030406548	1	52	0.0	-69.00	387.10	2.86	-66.14
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1COCC[N@H+]1C	REAL300030406548	1	52	0.0	-68.86	387.26	2.81	-66.05
CC1=C(C)[NH+]=C(CCC(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030406559	1	52	0.0	-65.96	414.98	4.40	-61.56
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CCN1CC1=CC=CC=C1	REAL300030406574	0	55	0.0	-74.10	433.25	7.04	-67.06
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300030406574	1	55	0.0	-67.91	427.19	6.77	-61.14
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC[N@H+]1CC1=CC=CC=C1	REAL300030406574	1	55	0.0	-74.10	433.25	7.04	-67.06
CC(C)C[N@@H+]1CCCC(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030406578	0	60	0.0	-69.84	442.12	6.68	-63.16
CC(C)C[N@H+]1CCCC(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030406578	1	60	0.0	-66.15	430.54	6.76	-59.39
CN(CC1CCN(C(=O)C2CCC[N@@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030406745	0	48	0.0	-64.67	366.44	4.12	-60.55
CN(CC1CCN(C(=O)C2CCC[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030406745	1	48	0.0	-68.46	367.20	3.96	-64.50
CN(CC1CCN(C(=O)C2CN(C)CCO2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030406771	0	49	0.0	-79.33	369.96	3.29	-76.04
CN(CC1CCN(C(=O)C2C[N@H+](C)CCO2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030406771	1	49	0.0	-77.00	369.30	3.35	-73.65
CN(CC1CCN(C(=O)C2C[N@@H+](C)CCO2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030406771	1	49	0.0	-79.33	369.96	3.29	-76.04
CC1=[NH+]C=CN1CCCC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030406942	1	52	0.0	-71.93	416.76	6.15	-65.78
CN(CC1CCN(C(=O)CCCC[NH+]2CCOCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030406946	1	58	0.0	-78.28	444.05	4.83	-73.45
CN(CC1CCN(C(=O)C2=CC=C(C[NH+](C)C)C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030406952	0	54	0.0	-93.71	415.82	6.20	-87.51
CN(CC1CCN(C(=O)CC[NH+]2CCOCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030406953	1	52	0.0	-71.67	399.10	3.33	-68.34
CCC[NH+](CCC)CCCC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030406978	0	62	0.0	-69.82	461.99	7.24	-62.58
CN(CC1CCN(C(=O)C23CCC[NH+]2CCC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030406995	0	52	0.0	-63.17	380.12	4.65	-58.52
CN(CC1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030407013	1	46	0.0	-85.46	378.78	6.61	-78.85
CN(CC1CCN(C(=O)C2CCCC([NH+](C)C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030407087	0	57	0.0	-72.48	414.04	5.90	-66.58
CN(CC1CCN(C(=O)CC2CC[N@H+](C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030407092	0	51	0.0	-71.21	390.57	4.91	-66.30
CN(CC1CCN(C(=O)CC2CC[N@@H+](C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030407092	1	51	0.0	-71.38	390.08	4.87	-66.51
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030407106	0	50	0.0	-82.75	396.52	3.14	-79.61
CCC(C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030407112	0	50	0.0	-65.37	372.91	4.33	-61.04
CN(CC1CCN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030407121	1	49	0.0	-94.57	400.25	4.85	-89.72
CC1CC2CCC(C(=O)N3CCC(CN(C)C(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300030407171	0	58	0.0	-66.00	432.60	6.51	-59.49
CC1CC2CCC(C(=O)N3CCC(CN(C)C(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300030407171	1	58	0.0	-72.08	426.10	6.56	-65.52
CN(CC1CCN(C(=O)CCCC[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030407204	0	53	0.0	-71.29	409.18	5.46	-65.83
CC(C)C(C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030407228	0	53	0.0	-71.65	386.56	4.89	-66.76
CCC[N@H+](C)CCC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030407230	0	53	0.0	-75.10	407.38	5.20	-69.90
CCC[N@@H+](C)CCC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030407230	1	53	0.0	-74.67	406.36	5.20	-69.47
CCC[N@H+](C)CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030407236	0	50	0.0	-71.94	385.05	4.62	-67.32
CCC[N@@H+](C)CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030407236	1	50	0.0	-71.60	384.23	4.65	-66.95
CN(CC1CCN(C(=O)C23CC[N@H+](C2)CCC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030407266	0	52	0.0	-73.28	376.88	4.07	-69.21
CN(CC1CCN(C(=O)C23CC[N@@H+](C2)CCC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030407266	1	52	0.0	-69.65	377.02	4.09	-65.56
CCCCCC[N@H+](C)CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030407315	0	59	0.0	-68.23	447.24	7.07	-61.16
CCCCCC[N@@H+](C)CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030407315	1	59	0.0	-73.06	449.52	6.97	-66.09
CC[NH+](CC)C(C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300030407324	0	59	0.0	-62.44	419.03	5.99	-56.45
CC1CC[NH+](CC(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030407366	0	54	0.0	-66.75	406.09	5.78	-60.97
CN(CC1CCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030407397	1	49	0.0	-85.81	397.04	4.25	-81.56
CN(CC1CCN(C(=O)COC2CC[NH+](C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030407406	0	55	0.0	-80.91	425.74	5.37	-75.54
CN(CC1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030407476	0	55	0.0	-72.00	409.81	5.75	-66.25
CN(CC1CCN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030407476	1	55	0.0	-73.27	410.28	5.74	-67.53
CN(CC1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030407490	0	51	0.0	-68.72	390.52	4.83	-63.89
CC1=[NH+]C=C2CCC(C(=O)N3CCC(CN(C)C(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300030407491	1	53	0.0	-67.71	414.50	5.81	-61.90
CC(C)[NH+]1CCC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030407503	0	57	0.0	-68.27	417.73	5.73	-62.54
CC[N@H+](C)CCC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030407542	0	50	0.0	-69.13	383.62	4.54	-64.59
CC[N@@H+](C)CCC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030407542	1	50	0.0	-69.15	383.62	4.54	-64.61
CN(CC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030407575	0	57	0.0	-61.75	401.22	5.87	-55.88
CN(CC1CCN(C(=O)C2C[NH+]3CCC2CC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030407594	0	52	0.0	-81.01	381.94	4.80	-76.21
CN(CC1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030407689	0	51	0.0	-77.34	389.43	4.72	-72.62
CC(C)[C@H](C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030407712	0	53	0.0	-66.51	386.39	4.74	-61.77
CN(CC1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030407806	0	58	0.0	-81.63	434.66	6.93	-74.70
CC[NH+](CC)CC(F)C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030407853	0	53	0.0	-74.74	402.57	4.86	-69.88
CN(CC1CCN(C(=O)C2=C(C[NH+](C)C)C=CS2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030407854	0	51	0.0	-61.79	405.52	5.44	-56.35
CC(C)C[N@@H+]1CCC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030407900	0	57	0.0	-67.61	424.50	6.09	-61.52
CC(C)C[N@H+]1CCC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030407900	1	57	0.0	-67.90	423.71	6.06	-61.84
CN(CC1CCN(C(=O)C2([NH+](C)C)CCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030407904	0	51	0.0	-69.63	371.35	4.25	-65.38
CCC(C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030407941	0	56	0.0	-61.15	404.67	5.42	-55.73
CC1CCC[N@@H+]1CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030407972	0	51	0.0	-68.63	391.82	4.87	-63.76
CC1CCC[N@H+]1CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030407972	1	51	0.0	-63.98	388.68	5.07	-58.91
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030408060	1	55	0.0	-67.74	431.24	6.40	-61.34
CC(C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300030408067	0	57	0.0	-67.84	413.42	5.63	-62.21
CC(C)[N@@H+]1CCCCC1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030408069	0	57	0.0	-64.56	416.33	5.64	-58.92
CC(C)[N@H+]1CCCCC1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030408069	1	57	0.0	-66.29	407.79	5.45	-60.84
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030408103	0	54	0.0	-67.25	395.99	5.50	-61.75
CC(C)[N@H+]1CCCC1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030408103	1	54	0.0	-62.94	398.29	5.16	-57.78
CN(CC1CCN(C(=O)C(CN2C=CC=N2)[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030408109	1	54	0.0	-81.70	415.20	4.86	-76.84
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030408114	0	57	0.0	-67.19	417.76	5.40	-61.79
CC(C)[N@H+]1CCCC1CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030408114	1	57	0.0	-67.76	414.14	5.29	-62.47
CN(CC1CCN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030408115	0	58	0.0	-64.34	419.64	6.78	-57.56
CN(CC1CCN(C(=O)C2CCC[N@H+]2C2CCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030408115	1	58	0.0	-63.44	428.26	6.62	-56.82
CC(C)[C@@H](C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030408136	0	53	0.0	-64.16	386.31	4.76	-59.40
CC1CC[N@H+](CC(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030408170	0	51	0.0	-66.03	388.49	4.93	-61.10
CC1CC[N@@H+](CC(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030408170	1	51	0.0	-66.14	389.91	5.00	-61.14
CN(CC1CCN(C(=O)C2(F)CC[N@@H+](C(C)(C)C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030408171	0	57	0.0	-64.63	420.25	5.33	-59.30
CN(CC1CCN(C(=O)C2(F)CC[N@H+](C(C)(C)C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030408171	1	57	0.0	-66.84	420.69	5.32	-61.52
CC1=[NH+]C=C2CC(C(=O)N3CCC(CN(C)C(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300030408173	1	53	0.0	-74.37	412.86	5.92	-68.45
CN(CC1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030408176	0	54	0.0	-65.97	409.32	5.54	-60.43
CN(CC1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030408176	1	54	0.0	-66.03	408.40	5.52	-60.51
CN(CC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030408177	0	56	0.0	-71.16	414.89	5.77	-65.39
CN(CC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030408177	1	56	0.0	-71.88	412.84	5.62	-66.26
CC[C@@H](C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030408188	0	50	0.0	-65.80	372.01	4.27	-61.53
CC(COCC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300030408196	0	58	0.0	-72.85	444.02	5.98	-66.87
CN(CC1CCN(C(=O)CCN(C)C2=CC=[NH+]C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030408358	0	53	0.0	-66.04	418.26	5.00	-61.04
CC1=[NH+]C=CN1CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030408484	1	46	0.0	-69.56	373.36	4.82	-64.74
CC(C[NH+]1CCOCC1)C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030408486	0	55	0.0	-74.96	412.36	3.74	-71.22
CN(CC1CCN(C(=O)CCC[NH+]2CCCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030408508	0	57	0.0	-74.48	431.29	6.48	-68.00
CN(CC1CCN(C(=O)C2=NOC(C[NH+](C)C)=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030408529	1	50	0.0	-81.61	402.15	4.38	-77.23
CC1=C(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300030408531	0	49	0.0	-83.23	395.38	6.84	-76.39
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030408580	1	52	0.0	-67.65	410.62	5.96	-61.69
CN(CC1CCN(C(=O)C2CCCC3CCC[N@@H+]32)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030408635	0	55	0.0	-67.36	396.42	5.28	-62.08
CN(CC1CCN(C(=O)C2CCCC3CCC[N@H+]32)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030408635	1	55	0.0	-62.51	395.17	5.36	-57.15
CC[N@@H+]1CCOC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030408672	1	52	0.0	-85.74	393.29	4.19	-81.55
CC[N@H+]1CCOC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030408672	1	52	0.0	-82.19	396.15	4.19	-78.00
CN(CC1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030408750	0	46	0.0	-82.81	378.70	6.60	-76.21
CC1=C[NH+]=CN1CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030408755	1	46	0.0	-71.09	374.50	5.51	-65.58
CN(CC1CCN(C(=O)C2=CN(CC[NH+](C)C)N=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030408760	0	54	0.0	-87.47	422.05	4.30	-83.17
CN(CC1CCN(C(=O)C2=NN(CC[NH+](C)C)C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030408775	0	54	0.0	-88.23	427.06	4.82	-83.41
C[C@@H]1[C@H](C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030408782	0	51	0.0	-70.10	378.60	4.20	-65.90
C[C@@H]1[C@H](C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030408782	1	51	0.0	-74.32	387.48	4.43	-69.89
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030408785	1	55	0.0	-68.00	431.75	6.45	-61.55
CC[C@@H]1[C@@H](C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030408788	0	54	0.0	-69.37	397.23	4.78	-64.59
CC[C@@H]1[C@@H](C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030408788	1	54	0.0	-66.91	399.29	5.29	-61.62
CC1CCC(C)[NH+]1CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030408809	0	54	0.0	-63.22	400.68	5.30	-57.92
CN(CC1CCN(C(=O)CCC[NH+]2CCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030408816	0	54	0.0	-74.05	414.04	5.66	-68.39
CN(CC1CCN(C(=O)C2=CC(C[NH+](C)C)=CC=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030408817	0	54	0.0	-77.32	417.13	6.16	-71.16
C#CC[NH+]1CCC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030408825	0	53	0.0	-79.16	410.25	5.81	-73.35
CN(CC1CCN(C(=O)CC[NH+]2CCCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030408826	0	54	0.0	-68.40	407.54	5.76	-62.64
CN(CC1CCN(C(=O)C2=CC=CC=C2C[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030408831	0	54	0.0	-72.26	419.64	6.39	-65.87
CC[N@@H+]1CCCCC1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030408840	0	54	0.0	-64.39	394.65	5.16	-59.23
CC[N@H+]1CCCCC1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030408840	1	54	0.0	-66.46	404.16	5.45	-61.01
CC(C)C(C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300030408841	0	60	0.0	-62.63	428.01	6.75	-55.88
CN(CC1CCN(C(=O)C(C2=CC=CC=C2)[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030408844	1	54	0.0	-71.08	412.48	6.38	-64.70
CN(CC1CCN(C(=O)CN2C=[NH+]C3=C2CCCC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030408852	1	53	0.0	-65.67	415.22	7.36	-58.31
CN(CC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030408897	0	60	0.0	-67.55	417.49	6.42	-61.13
CN(CC1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030408903	0	60	0.0	-74.46	443.17	6.83	-67.63
CN(CC1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030408903	1	60	0.0	-74.93	444.20	6.84	-68.09
CN(CC1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030408906	0	57	0.0	-70.12	406.88	5.72	-64.40
CN(CC1CCN(C(=O)C[N@H+](C)C2CCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409143	0	51	0.0	-65.06	389.72	5.27	-59.79
CN(CC1CCN(C(=O)C[N@@H+](C)C2CCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409143	1	51	0.0	-69.67	391.18	5.23	-64.44
CC(C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300030409176	0	57	0.0	-67.42	413.28	5.53	-61.89
CN(CC1CCN(C(=O)CCCC[NH+]2CCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409195	0	57	0.0	-75.57	435.51	6.45	-69.12
CN(CC1CCN(C(=O)C[N@H+](C)CC2=CC=CC=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409198	1	54	0.0	-75.86	422.45	6.81	-69.05
CN(CC1CCN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409198	1	54	0.0	-76.10	422.47	6.81	-69.29
CN(CC1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409215	0	51	0.0	-77.34	389.43	4.72	-72.62
CN(CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409286	0	48	0.0	-64.87	365.67	4.13	-60.74
CN(CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409286	1	48	0.0	-68.77	365.84	3.76	-65.01
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030409311	1	50	0.0	-63.76	389.43	4.94	-58.82
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030409311	1	50	0.0	-69.72	393.87	5.38	-64.34
CN(CC1CCN(C(=O)CCC2CCC[N@@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409321	0	54	0.0	-68.60	405.11	5.33	-63.27
CN(CC1CCN(C(=O)CCC2CCC[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409321	1	54	0.0	-69.72	411.86	5.77	-63.95
CN(CC1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409334	0	55	0.0	-74.37	391.00	4.86	-69.51
CN(CC1CCN(C(=O)C2CCC3CCCC[N@@H+]32)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409342	0	55	0.0	-67.00	408.97	6.00	-61.00
CN(CC1CCN(C(=O)C2CCC3CCCC[N@H+]32)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409342	1	55	0.0	-68.59	404.46	5.66	-62.93
CCC[N@@H+]1CCCC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030409439	0	57	0.0	-65.93	418.85	6.26	-59.67
CCC[N@H+]1CCCC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030409439	1	57	0.0	-66.15	418.77	6.26	-59.89
CC(C)[N@@H+]1CCOC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030409462	1	55	0.0	-75.13	405.61	4.45	-70.68
CC(C)[N@H+]1CCOC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030409462	1	55	0.0	-74.75	403.87	4.45	-70.30
CN(CC1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409481	0	58	0.0	-73.29	416.02	3.73	-69.56
CN(CC1CCN(C(=O)C2CCCC[N@@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409501	0	51	0.0	-63.88	383.76	4.75	-59.13
CN(CC1CCN(C(=O)C2CCCC[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409501	1	51	0.0	-66.21	376.70	4.51	-61.70
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030409533	0	57	0.0	-68.43	424.72	6.22	-62.21
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030409533	1	57	0.0	-63.63	421.08	5.88	-57.75
CN(CC1CCN(C(=O)C[NH+]2CCC(CO)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409554	0	55	0.0	-73.06	418.85	2.39	-70.67
CN(CC1CCN(C(=O)C=C2CC3CCC(C2)[NH+]3C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409592	0	56	0.0	-73.92	417.82	6.09	-67.83
CC1C(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030409613	0	51	0.0	-75.39	386.62	4.68	-70.71
CC1C(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030409613	1	51	0.0	-68.28	383.64	4.87	-63.41
CN(CC1CCN(C(=O)CCC2CCCC[N@@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409617	0	57	0.0	-70.12	418.20	6.04	-64.08
CN(CC1CCN(C(=O)CCC2CCCC[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409617	1	57	0.0	-69.98	418.38	6.01	-63.97
CN(CC1CCN(C(=O)C2=CC3=C(CCC3)[NH+]=C2N)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409658	1	51	0.0	-64.73	399.85	3.89	-60.84
CN(CC1CCN(C(=O)C2CC[N@@H+]2C(C)(C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409743	0	54	0.0	-63.56	405.86	5.00	-58.56
CN(CC1CCN(C(=O)C2CC[N@H+]2C(C)(C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409743	1	54	0.0	-64.25	382.92	4.34	-59.91
CN(CC1CCN(C(=O)C2CCN(C3=CC=[NH+]C=C3)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409763	0	54	0.0	-72.68	416.76	3.55	-69.13
C[C@@H](C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030409768	0	47	0.0	-65.52	358.78	3.61	-61.91
CN(CC1CCN(C(=O)C2=CC=NC(C[NH+](C)C)=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409789	1	53	0.0	-74.39	413.12	4.72	-69.67
C=CCC(C)(C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030409795	0	54	0.0	-66.00	385.03	5.03	-60.97
CC[NH+](CC)CCSCC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030409828	0	57	0.0	-77.97	447.49	6.50	-71.47
CN(CC1CCN(C(=O)C2=C(N)C3=CC=CC=C3[NH+]=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409829	1	50	0.0	-70.97	396.31	3.39	-67.58
CN(CC1CCN(C(=O)CC[NH+]2CCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409834	0	51	0.0	-73.79	394.12	4.96	-68.83
CN(CC1CCN(C(=O)C[N@H+](C)CCO)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409844	1	48	0.0	-72.19	373.87	0.65	-71.54
CN(CC1CCN(C(=O)C[N@@H+](C)CCO)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409844	1	48	0.0	-72.77	373.79	0.66	-72.11
CN(CC1CCN(C(=O)C2C[N@@H+]3CCN2CCC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409889	0	54	0.0	-79.40	387.69	2.65	-76.75
CN(CC1CCN(C(=O)C2C[N@H+]3CCN2CCC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409889	1	54	0.0	-85.13	388.04	2.63	-82.50
CC(C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300030409921	1	52	0.0	-71.80	400.51	5.06	-66.74
CN(CC1CCN(C(=O)CC2=CC[N@H+](C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409973	0	52	0.0	-72.74	403.47	5.58	-67.16
CN(CC1CCN(C(=O)CC2=CC[N@@H+](C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409973	1	52	0.0	-71.02	404.12	5.59	-65.43
CN(CC1CCN(C(=O)C(O)CC[S+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409991	0	50	0.0	-80.00	404.50	2.66	-77.34
CN(CC1CCN(C(=O)C2(C)CC(O)C[N@@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410017	0	52	0.0	-66.66	383.26	0.63	-66.03
CN(CC1CCN(C(=O)C2(C)CC(O)C[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410017	1	52	0.0	-65.43	384.36	0.80	-64.63
CN(CC1CCN(C(=O)C2CN(C)CC[N@H+](C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410033	0	56	0.0	-70.16	413.33	3.14	-67.02
CN(CC1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410033	1	56	0.0	-71.15	410.91	3.10	-68.05
CC(C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300030410034	0	55	0.0	-71.69	413.48	2.04	-69.65
CC(C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300030410034	1	55	0.0	-64.30	412.20	2.10	-62.20
CN(CC1CCN(C(=O)C2=C(N)[NH+]=CC3=C2CCC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410070	0	51	0.0	-72.60	406.81	4.07	-68.53
CN(CC1CCN(C(=O)CC2(O)CCC[N@H+](C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410077	0	55	0.0	-68.55	402.08	3.56	-64.99
CN(CC1CCN(C(=O)CC2(O)CCC[N@@H+](C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410077	1	55	0.0	-72.95	414.11	3.74	-69.21
CC1C[NH+](CC(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030410084	1	48	0.0	-71.86	376.65	4.31	-67.55
CC[N@@H+]1CCCC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030410092	0	54	0.0	-64.27	397.96	5.56	-58.71
CC[N@H+]1CCCC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030410092	1	54	0.0	-71.47	407.79	5.37	-66.10
CN(CC1CCN(C(=O)CC2=CC=C[NH+]=C2N)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410104	0	47	0.0	-69.81	379.21	3.07	-66.74
CN(CC1CCN(C(=O)C2CCC[N@@H+]2C2CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410120	0	52	0.0	-61.61	395.54	5.51	-56.10
CN(CC1CCN(C(=O)C2CCC[N@H+]2C2CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410120	1	52	0.0	-64.21	392.33	5.09	-59.12
CN(CC1CCN(C(=O)C=CC[NH+]2CCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410177	0	52	0.0	-82.29	405.14	5.64	-76.65
CN(CC1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410206	0	55	0.0	-74.98	412.81	5.94	-69.04
CC[N@H+](C)CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030410262	0	47	0.0	-71.29	362.70	3.92	-67.37
CN(CC1CCN(C(=O)CN2CC3C=CC2C3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410336	0	50	0.0	-63.76	383.84	5.16	-58.60
CN(CC1CCN(C(=O)C[N@@H+]2CC3C=CC2C3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410336	1	50	0.0	-63.78	382.52	5.13	-58.65
CN(CC1CCN(C(=O)C[N@H+]2CC3C=CC2C3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410336	1	50	0.0	-63.78	382.52	5.13	-58.65
CC1=CC=C(NCCC(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)N=C1	REAL300030410361	0	53	0.0	-64.62	422.39	4.73	-59.89
CC1=CC=C(NCCC(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)[NH+]=C1	REAL300030410361	1	53	0.0	-64.62	422.39	4.73	-59.89
CN(CC1CCN(C(=O)C23CCC[N@@H+]2CCCC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410497	0	55	0.0	-67.54	391.72	4.94	-62.60
CN(CC1CCN(C(=O)C23CCC[N@H+]2CCCC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410497	1	55	0.0	-67.54	391.72	4.94	-62.60
CN(CC1CCN(C(=O)C23CCC[N@@H+]2CC=CC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410509	0	53	0.0	-61.31	382.88	4.78	-56.53
CN(CC1CCN(C(=O)C23CCC[N@H+]2CC=CC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410509	1	53	0.0	-61.31	382.88	4.78	-56.53
CC(OCC[NH+](C)C)C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030410522	0	54	0.0	-73.80	415.72	4.78	-69.02
CN(CC1CCN(C(=O)CCOCC[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410534	0	54	0.0	-68.75	420.49	4.11	-64.64
COCCN(C)CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030410536	0	51	0.0	-72.75	396.04	3.05	-69.70
COCC[N@H+](C)CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030410536	1	51	0.0	-72.32	396.12	3.05	-69.27
COCC[N@@H+](C)CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030410536	1	51	0.0	-72.32	396.12	3.05	-69.27
CC(CCC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030410543	0	53	0.0	-75.52	398.88	4.99	-70.53
CC[N@H+](CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030410582	0	51	0.0	-70.06	387.48	4.81	-65.25
CC1C[N@@H+]2CCN1C(C(=O)N1CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030410602	0	54	0.0	-72.72	393.22	1.95	-70.77
CN(CC1CCN(C(=O)C23CC(C2)C[N@@H+]3C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410640	0	49	0.0	-70.60	371.80	4.42	-66.18
CC1=NC(N)=CC=C1C=CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030410651	0	51	0.0	-80.06	408.30	3.85	-76.21
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030410651	1	51	0.0	-80.06	408.30	3.85	-76.21
CN(CC1CCN(C(=O)C[N@@H+]2CC3CCC2C3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410660	0	52	0.0	-64.01	387.06	5.18	-58.83
CN(CC1CCN(C(=O)C[N@H+]2CC3CCC2C3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410660	1	52	0.0	-64.01	387.06	5.18	-58.83
CC(C)[NH+]1CCC(CC(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030410676	0	60	0.0	-69.74	443.31	6.80	-62.94
CC(C[NH+](C)C)C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030410692	0	50	0.0	-69.77	382.48	4.44	-65.33
CC[N@@H+]1CCC1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030410756	0	48	0.0	-71.45	377.53	4.26	-67.19
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030410772	0	57	0.0	-69.81	422.50	5.84	-63.97
CC(C)[N@H+]1CCCC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030410772	1	57	0.0	-69.81	422.50	5.84	-63.97
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030410797	0	56	0.0	-64.04	405.94	3.73	-60.31
C#CC[N@H+]1CCCCC1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030410852	1	53	0.0	-63.25	408.43	5.99	-57.26
C#CC[N@@H+]1CCCCC1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030410852	1	53	0.0	-67.63	402.41	5.66	-61.97
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030410856	1	50	0.0	-68.29	394.54	3.79	-64.50
CN(CC1CCN(C(=O)C2=C[NH+]=CC=C2N)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410857	0	44	0.0	-75.76	354.34	1.18	-74.58
CCCC(C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030410869	0	53	0.0	-65.87	393.78	5.08	-60.79
CN(CC1CCN(C(=O)C(C)(C)[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410877	0	50	0.0	-70.61	365.17	3.59	-67.02
CC(CC[NH+](C)C)C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030410903	0	53	0.0	-70.84	404.14	5.08	-65.76
CN(CC1CCN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410971	0	58	0.0	-75.67	415.44	5.83	-69.84
CN(CC1CCN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410971	1	58	0.0	-62.07	417.92	6.63	-55.44
CN(CC1CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411011	0	53	0.0	-70.35	399.19	5.70	-64.65
CN(CC1CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411011	1	53	0.0	-71.01	392.40	6.44	-64.57
COCCCC[N@H+](C)CCC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030411062	0	60	0.0	-78.78	462.55	5.05	-73.73
COCCCC[N@@H+](C)CCC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030411062	1	60	0.0	-73.47	460.29	5.13	-68.34
CN(CC1CCN(C(=O)C2CC(C)(C)C[N@@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411074	0	54	0.0	-64.35	402.69	4.79	-59.56
CN(CC1CCN(C(=O)C2CC(C)(C)C[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411074	1	54	0.0	-64.58	405.62	5.30	-59.28
CN(CC1CCN(C(=O)CCCCC[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411080	0	56	0.0	-71.05	430.68	6.24	-64.81
CN(CC1CCN(C(=O)CC[NH+]2CCC(O)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411085	0	55	0.0	-77.31	420.44	2.28	-75.03
CCC[N@@H+]1CCCCC1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030411091	0	57	0.0	-62.81	422.99	6.18	-56.63
CCC[N@H+]1CCCCC1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030411091	1	57	0.0	-64.70	416.13	5.91	-58.79
CC[NH+]1CCN(CCC(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030411101	0	59	0.0	-75.47	443.61	3.92	-71.55
CCN1CC[NH+](CCC(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030411101	1	59	0.0	-69.66	442.13	3.98	-65.68
CN(CC1CCN(C(=O)CN2CC[NH+](C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411105	1	53	0.0	-73.25	405.26	2.76	-70.49
CC(C)C[NH+]1CCC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030411244	0	60	0.0	-78.38	443.33	6.76	-71.62
CC1C[N@H+](C)CC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030411247	1	52	0.0	-85.77	394.20	4.26	-81.51
CC1C[N@@H+](C)CC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030411247	1	52	0.0	-75.21	398.15	4.27	-70.94
CCC1CCC[N@H+](CC(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030411286	0	57	0.0	-66.03	416.31	5.91	-60.12
CCC1CCC[N@@H+](CC(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030411286	1	57	0.0	-71.41	425.94	6.36	-65.05
CN(CC1CCN(C(=O)C2=CC=C(C[NH+](C)C)N2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411297	0	52	0.0	-96.38	405.08	4.77	-91.61
CN(CC1CCN(C(=O)C[NH+]2CC3CC3C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411322	0	49	0.0	-71.35	380.21	5.10	-66.25
CN(CC1CCN(C(=O)CC2([NH+]3CCCC3)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411342	0	55	0.0	-64.92	408.05	6.05	-58.87
CC([NH2+]C1(CO)CCCC1)C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030411362	0	58	0.0	-69.73	419.28	0.82	-68.91
CN(CC1CCN(C(=O)C2CCCC[N@@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411397	0	51	0.0	-63.88	383.76	4.75	-59.13
CN(CC1CCN(C(=O)C2CCCC[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411397	1	51	0.0	-66.21	376.70	4.51	-61.70
CN(CC1CCN(C(=O)C2CC[N@@H+]2CC2=CC=CC=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411405	1	55	0.0	-70.80	430.06	6.86	-63.94
CN(CC1CCN(C(=O)C2CC[N@H+]2CC2=CC=CC=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411405	1	55	0.0	-69.46	435.94	7.23	-62.23
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030411412	0	60	0.0	-71.84	437.25	6.94	-64.90
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030411412	1	60	0.0	-67.29	434.59	6.85	-60.44
CN(CC1CCN(C(=O)CN2CCC([NH+](C)C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411482	0	59	0.0	-70.37	437.23	3.98	-66.39
CN(CC1CCN(C(=O)C=C2CC[N@H+](C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411562	0	49	0.0	-78.20	382.51	4.71	-73.49
CN(CC1CCN(C(=O)C=C2CC[N@@H+](C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411562	1	49	0.0	-82.20	382.60	4.74	-77.46
CN(CC1CCN(C(=O)CNC2=CC=[NH+]C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411569	0	47	0.0	-67.61	379.23	2.58	-65.03
CC[NH+]1CCN(CC(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030411641	0	56	0.0	-68.45	420.30	3.48	-64.97
CN(CC1CCN(C(=O)C=C2C[NH+]3CCC2CC3)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411644	0	53	0.0	-68.92	401.50	5.55	-63.37
CN(CC1CCN(C(=O)C2([NH+](C)C)CCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411698	0	54	0.0	-65.46	377.56	4.43	-61.03
CN(CC1CCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411715	0	55	0.0	-65.85	415.40	2.47	-63.38
CN(CC1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411715	1	55	0.0	-67.09	414.96	2.64	-64.45
CCC1C[NH+](CC(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030411723	0	51	0.0	-67.94	395.13	5.09	-62.85
CN(CC1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411727	0	56	0.0	-71.34	426.16	4.27	-67.07
CN(CC1CCN(C(=O)C2([NH+]3CCCC3)CCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411729	0	55	0.0	-63.27	395.71	5.52	-57.75
CN(CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411746	0	48	0.0	-69.20	364.36	3.69	-65.51
CN(CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411746	1	48	0.0	-63.89	364.83	4.05	-59.84
CC[N@@H+]1CCOCC1CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030411788	0	55	0.0	-73.29	409.27	3.64	-69.65
CN(CC1CCN(C(=O)C2C[NH+](C3CCCCC3)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411816	0	58	0.0	-68.11	434.89	6.66	-61.45
COC1C[N@@H+]2CCCC2(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030411837	0	56	0.0	-66.04	414.38	3.51	-62.53
COC1C[N@H+]2CCCC2(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030411837	1	56	0.0	-66.04	414.38	3.51	-62.53
CN(CC1CCN(C(=O)CCC2=CC=C(N)[NH+]=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411850	0	50	0.0	-67.31	402.54	3.83	-63.48
CN(CC1CCN(C(=O)CC2=CC3=C[NH+]=CN3C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411858	0	49	0.0	-72.53	399.16	7.41	-65.12
CN(CC1CCN(C(=O)C2=CC=C3NC(N)=[NH+]C3=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411913	1	48	0.0	-85.91	382.07	3.94	-81.97
CN(CC1CCN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411966	0	51	0.0	-71.96	393.83	4.96	-67.00
CN(CC1CCN(C(=O)C2(CC[NH+](C)C)CCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411979	0	60	0.0	-71.42	435.26	6.31	-65.11
CC1CCCC(C)[NH+]1CCC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030411981	0	60	0.0	-71.08	436.00	6.30	-64.78
CN(CC1CCN(C(=O)C2CCC([NH+](C)C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411984	0	57	0.0	-72.94	412.76	5.66	-67.28
CN(CC1CCN(C(=O)C2(CC[NH+](C)C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411985	0	54	0.0	-70.40	415.76	5.65	-64.75
CN(CC1CCN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411990	0	57	0.0	-71.51	411.66	5.65	-65.86
CN(CC1CCN(C(=O)CC2CC=CC[N@@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411991	0	52	0.0	-70.31	394.59	5.37	-64.94
CN(CC1CCN(C(=O)CC2CC=CC[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411991	1	52	0.0	-70.31	394.59	5.37	-64.94
CC1=CC(C=CC(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)=CN=C1N	REAL300030412060	0	51	0.0	-84.33	408.49	4.16	-80.17
CC1=CC(C=CC(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)=C[NH+]=C1N	REAL300030412060	1	51	0.0	-84.33	408.49	4.16	-80.17
CN(CC1CCN(C(=O)COCC[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412076	0	51	0.0	-72.77	401.25	4.28	-68.49
CCCCC[N@H+](C)CCC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030412083	0	59	0.0	-70.78	448.11	6.84	-63.94
CCCCC[N@@H+](C)CCC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030412083	1	59	0.0	-70.78	448.11	6.84	-63.94
CN(CC1CCN(C(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412097	0	55	0.0	-69.66	419.17	5.10	-64.56
CN(CC1CCN(C(=O)CN2C=CSC2=[NH2+])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412131	0	44	0.0	-67.32	372.86	3.40	-63.92
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030412230	0	54	0.0	-69.34	417.09	4.81	-64.53
CN(CC1CCN(C(=O)CC[NH+]2CCCCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412303	0	57	0.0	-73.90	417.06	5.98	-67.92
CN(CC1CCN(C(=O)C[NH+]2CCCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412307	0	51	0.0	-70.87	386.48	5.07	-65.80
CN(CC1CCN(C(=O)C2CCC[N@H+](C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412309	0	51	0.0	-66.46	379.58	4.87	-61.59
CN(CC1CCN(C(=O)C2CCC[N@@H+](C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412309	1	51	0.0	-78.03	385.91	4.66	-73.37
CN(CC1CCN(C(=O)C[NH+]2CCC(CO)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412311	0	55	0.0	-73.06	418.85	2.39	-70.67
CN(CC1CCN(C(=O)C[NH+]2CCCCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412317	0	54	0.0	-71.21	397.19	5.64	-65.57
CN(CC1CCN(C(=O)C[N+]2=CN(C)C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412324	0	46	0.0	-69.43	377.05	6.73	-62.70
CN(CC1CCN(C(=O)C(C)(C)C2CCC[N@H+](C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412343	0	60	0.0	-76.57	416.49	5.37	-71.20
CN(CC1CCN(C(=O)C(C)(C)C2CCC[N@@H+](C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412343	1	60	0.0	-85.01	430.43	5.79	-79.22
CN(CC1CCN(C(=O)C2=CC=C(C[NH+](C)C)O2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412349	1	51	0.0	-82.86	406.48	4.92	-77.94
CN(CC1CCN(C(=O)C2=CC=C(C[NH+](C)C)N=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412358	0	53	0.0	-91.80	411.57	4.76	-87.04
CN(CC1CCN(C(=O)C[NH+]2CCC(O)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412377	0	52	0.0	-75.97	397.97	1.72	-74.25
CN(CC1CCN(C(=O)C[N@@H+](C)C2CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412384	1	48	0.0	-64.30	372.79	4.70	-59.60
CC(C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300030412386	1	56	0.0	-73.77	414.00	2.86	-70.91
CN(CC1CCN(C(=O)CC[N@H+]2CCC(F)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412391	1	51	0.0	-72.23	398.63	5.09	-67.14
COC1C[N@@H+](C)C(C)(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030412407	1	55	0.0	-67.39	404.80	3.47	-63.92
CC(CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030412434	0	53	0.0	-74.82	401.61	5.24	-69.58
CN(CC1CCN(C(=O)C2CC[N@@H+]3CCOCC23)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412456	0	53	0.0	-77.12	402.85	3.43	-73.69
CN(CC1CCN(C(=O)C2CC[N@H+]3CCOCC23)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412456	1	53	0.0	-71.20	398.45	3.39	-67.81
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(CN(C)C(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300030412465	0	49	0.0	-78.33	400.14	6.39	-71.94
CN(CC1CCN(C(=O)CC2COCCN2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412486	0	52	0.0	-66.60	388.11	2.94	-63.66
CN(CC1CCN(C(=O)CC2COCC[N@@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412486	1	52	0.0	-72.97	394.11	3.14	-69.83
CN(CC1CCN(C(=O)CC2COCC[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412486	1	52	0.0	-66.60	388.11	2.94	-63.66
CC[NH+]1CCN(CC(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030412499	0	56	0.0	-68.45	420.30	3.48	-64.97
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030412568	1	47	0.0	-72.59	375.19	2.42	-70.17
CN(CC1CCN(C(=O)CCC2=CC=C(N)[NH+]=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412571	0	50	0.0	-67.31	402.54	3.83	-63.48
CN(CC1CCN(C(=O)C[N@H+]2CCC(C)(O)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412634	1	52	0.0	-66.62	399.41	1.66	-64.96
CN(CC1CCN(C(=O)C2=CC=NN2CC[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412644	0	54	0.0	-67.03	419.15	4.30	-62.73
CN(CC1CCN(C(=O)CC2C[NH+](C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412681	0	48	0.0	-73.72	376.91	3.97	-69.75
CN(CC1CCN(C(=O)C2CC[N@@H+]2C2CCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412687	0	55	0.0	-66.39	416.70	6.21	-60.18
CN(CC1CCN(C(=O)C2CC[N@H+]2C2CCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412687	1	55	0.0	-66.73	414.23	6.05	-60.68
CN(CC1CCN(C(=O)C[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412697	0	44	0.0	-67.89	343.81	3.29	-64.60
CN(CC1CCN(C(=O)CC[N@H+](C)CCO)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412742	0	51	0.0	-69.23	393.97	1.31	-67.92
CN(CC1CCN(C(=O)CC[N@@H+](C)CCO)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412742	1	51	0.0	-73.58	396.23	1.22	-72.36
C[C@@H](C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030412743	0	47	0.0	-65.52	358.78	3.61	-61.91
CN(CC1CCN(C(=O)CC2CCCC[N@@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412769	0	54	0.0	-62.37	395.61	5.36	-57.01
CN(CC1CCN(C(=O)CC2CCCC[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412769	1	54	0.0	-69.56	403.59	5.47	-64.09
CC1=C2C=C(C(=O)N3CCC(CN(C)C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030412802	1	49	0.0	-78.01	401.58	7.11	-70.90
CC(C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300030412803	0	51	0.0	-64.49	391.48	4.79	-59.70
CC1CC[N@H+]1CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030412809	1	48	0.0	-65.70	374.89	4.39	-61.31
CN(CC1CCN(C(=O)C=CC[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412829	0	48	0.0	-83.64	380.06	4.47	-79.17
CN(CC1CCN(C(=O)C[NH+]2CC(C)(C)C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412844	1	51	0.0	-72.30	397.06	4.83	-67.47
CN(CC1CCN(C(=O)CCCC[NH+]2CCCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412858	0	60	0.0	-75.23	452.33	7.24	-67.99
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030412873	1	52	0.0	-68.53	416.03	4.53	-64.00
CN(CC1CCN(C(=O)C2(C3CC[NH+](C)CC3)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412886	0	58	0.0	-74.95	431.86	6.43	-68.52
CC1=C2C=C(C(=O)N3CCC(CN(C)C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030412896	1	49	0.0	-78.01	401.58	7.11	-70.90
CN(CC1CCN(C(=O)CSCC[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412908	0	51	0.0	-80.27	412.28	5.14	-75.13
CN(CC1CCN(C(=O)C2=CC3=C(CCCC3)[NH+]=C2N)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412932	1	54	0.0	-68.25	415.03	4.52	-63.73
CN(CC1CCN(C(=O)C[N@@H+]2CCCC2CO)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412940	0	52	0.0	-66.07	393.21	1.33	-64.74
CN(CC1CCN(C(=O)C[N@H+]2CCCC2CO)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412940	1	52	0.0	-65.57	393.35	1.33	-64.24
CC[NH+](CC)CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030412943	0	50	0.0	-65.34	375.36	4.36	-60.98
CN(CC1CCN(C(=O)C[N@H+](C)C2CCSC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412956	0	52	0.0	-75.85	405.09	5.47	-70.38
CN(CC1CCN(C(=O)C[N@@H+](C)C2CCSC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412956	1	52	0.0	-72.08	403.01	5.55	-66.53
CN(CC1CCN(C(=O)C[NH+]2CCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412958	1	45	0.0	-67.23	353.83	3.78	-63.45
CC[NH+](CC)CCC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030413019	0	53	0.0	-73.56	399.28	4.88	-68.68
CN(CC1CCN(C(=O)C[NH+]2CCC(C(N)=O)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030413045	0	55	0.0	-84.99	422.79	1.75	-83.24
CN(CC1CCN(C(=O)C2=CC(C[NH+](C)C)=CN2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030413102	0	52	0.0	-86.43	404.86	4.65	-81.78
CC(C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300030413127	0	55	0.0	-70.38	412.94	2.01	-68.37
CN(CC1CCN(C(=O)C2CC3COCC[N@@H+]3C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030413135	0	53	0.0	-69.19	398.97	3.40	-65.79
CN(CC1CCN(C(=O)C2CC3COCC[N@H+]3C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030413135	1	53	0.0	-69.47	398.63	3.42	-66.05
CC(C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030413154	0	48	0.0	-65.59	365.18	3.86	-61.73
CCC(CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030413165	0	56	0.0	-71.21	414.92	5.82	-65.39
CN(CC1CCN(C(=O)C=CC2=CC=C(N)[NH+]=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030413174	0	48	0.0	-85.01	390.18	3.44	-81.57
CN(CC1CCN(C(=O)C(C)(C)C[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030413175	0	53	0.0	-76.00	383.40	4.65	-71.35
CN(CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030413254	0	51	0.0	-66.32	383.57	4.72	-61.60
CN(CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030413254	1	51	0.0	-72.95	376.80	4.47	-68.48
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030413271	0	54	0.0	-74.41	395.77	1.90	-72.51
CC1CN2CC[N@H+]1CC2C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030413271	1	54	0.0	-68.54	392.87	1.89	-66.65
CN(CC1CCN(C(=O)CC(O)C[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030413301	0	51	0.0	-73.36	396.52	2.33	-71.03
CN(CC1CCN(C(=O)C2CC3CCC(C2)[NH+]3C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030413304	0	55	0.0	-64.05	377.06	5.12	-58.93
C=CCC(C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030413355	0	51	0.0	-63.17	381.84	4.62	-58.55
CN(CC1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030413368	0	55	0.0	-72.00	409.81	5.75	-66.25
CN(CC1CCN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030413368	1	55	0.0	-73.27	410.28	5.74	-67.53
CN(CC1CCN(C(=O)C2(C)CC[NH+](C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030413384	0	54	0.0	-75.68	391.99	4.72	-70.96
CN(CC1CCN(C(=O)CC2(O)CC[NH+](C)CC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030413389	0	55	0.0	-75.99	416.60	3.51	-72.48
COCC[N@@H+]1CCCC1CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030413405	0	58	0.0	-60.27	434.07	5.23	-55.04
COCC[N@H+]1CCCC1CC(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030413405	1	58	0.0	-71.76	444.70	4.71	-67.05
CN(CC1CCN(C(=O)CC2CC3CCC(C2)[NH+]3C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030413420	0	58	0.0	-73.45	424.46	6.19	-67.26
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC=NN1CC[NH+](C)C	REAL300030413461	0	54	0.0	-66.31	418.08	4.35	-61.96
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1(C2CC[NH+](C)CC2)CC1	REAL300030413508	0	58	0.0	-80.89	427.59	6.51	-74.38
CC1=C2C=C(C(=O)N(C)CC3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030413520	1	49	0.0	-74.54	400.86	7.12	-67.42
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CSCC[NH+](C)C	REAL300030413531	0	51	0.0	-76.45	411.65	5.06	-71.39
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC2COCC[N@@H+]2C1	REAL300030413543	0	53	0.0	-70.68	399.84	3.32	-67.36
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1CC2COCC[N@H+]2C1	REAL300030413543	1	53	0.0	-70.43	399.39	3.35	-67.08
C=CCC1(NC(=O)C2CCC[N@H+]2C)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030413680	0	56	0.0	-68.97	391.82	4.23	-64.74
C=CCC1(NC(=O)C2CCC[N@@H+]2C)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030413680	1	56	0.0	-81.68	397.23	5.59	-76.09
C=CCC1(NC(=O)CN2C=C[NH+]=C2C)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030413779	1	54	0.0	-66.84	404.51	5.38	-61.46
C=CCC1(NC(=O)CN2C=[NH+]C=C2C)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030413827	1	54	0.0	-67.21	404.95	6.13	-61.08
C=CCC1(NC(=O)C(CC)[NH+](C)C)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030413835	0	58	0.0	-64.36	405.62	4.81	-59.55
C=CCC1(NC(=O)C[N@@H+](C)CCC)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030413842	0	58	0.0	-79.27	416.61	6.49	-72.78
C=CCC1(NC(=O)C[N@H+](C)CCC)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030413842	1	58	0.0	-78.72	416.38	6.49	-72.23
C=CCC1(NC(=O)[C@H]2CCC[N@H+]2C)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030413850	0	56	0.0	-83.99	382.84	5.78	-78.21
C=CCC1(NC(=O)[C@H]2CCC[N@@H+]2C)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030413850	1	56	0.0	-65.81	399.34	4.84	-60.97
C=CCC1(NC(=O)C[NH+](CC)CC)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030413856	0	58	0.0	-66.69	406.80	4.87	-61.82
C=CCC1(NC(=O)CC[N@@H+](C)CC)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030413908	0	58	0.0	-69.94	415.81	5.01	-64.93
C=CCC1(NC(=O)CC[N@H+](C)CC)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030413908	1	58	0.0	-70.19	415.81	5.01	-65.18
C=CCC1(NC(=O)[C@H](CC)[NH+](C)C)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030413913	0	58	0.0	-65.09	404.73	4.87	-60.22
C=CCC1(NC(=O)C[NH+](C)C)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030413933	0	52	0.0	-68.92	375.27	3.80	-65.12
C=CCC1(NC(=O)C(C)[NH+]2CCC2)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030413938	1	56	0.0	-74.39	404.62	6.17	-68.22
C=CCC1(NC(=O)C[N@@H+](C)C2CC2)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030413946	0	56	0.0	-65.99	404.53	5.19	-60.80
C=CCC1(NC(=O)C[N@H+](C)C2CC2)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030413946	1	56	0.0	-65.89	405.13	5.20	-60.69
C=CCC1(NC(=O)CC2C[NH+](C)C2)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030413953	0	56	0.0	-77.91	408.59	5.89	-72.02
C=CCC1(NC(=O)[C@H](C)[NH+](C)C)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030413962	0	55	0.0	-75.75	392.91	5.44	-70.31
C=CCC1(NC(=O)[C@H](C)[NH+](C)C)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030413989	0	55	0.0	-75.75	392.91	5.44	-70.31
C=CCC1(NC(=O)C[NH+]2CCC2)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030414006	1	53	0.0	-68.12	385.57	4.27	-63.85
C=CCC1(NC(=O)[C@@H](C)[NH+](C)C)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030414018	0	55	0.0	-76.25	389.38	5.39	-70.86
C=CCC1(NC(=O)C[NH+]2CC(C)C2)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030414027	1	56	0.0	-68.05	405.43	4.95	-63.10
C=CCC1(NC(=O)C[N@H+](C)CCO)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030414037	1	56	0.0	-79.05	405.47	2.52	-76.53
C=CCC1(NC(=O)C[N@@H+](C)CCO)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030414037	1	56	0.0	-77.89	403.97	2.43	-75.46
C=CCC1(NC(=O)C[N@@H+](C)CC)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030414044	0	55	0.0	-78.80	395.07	5.75	-73.05
C=CCC1(NC(=O)C[N@H+](C)CC)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030414044	1	55	0.0	-78.23	394.87	5.75	-72.48
C=CCC1(NC(=O)C=CC[NH+](C)C)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030414063	0	56	0.0	-72.04	412.49	5.04	-67.00
C=CCC1(NC(=O)C2CC[N@H+]2CC)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030414069	1	56	0.0	-76.55	399.46	5.79	-70.76
C=CCC1(NC(=O)C2CC[N@@H+]2CC)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030414069	1	56	0.0	-68.35	405.26	4.79	-63.56
C=CCC1(NC(=O)C(C)C[NH+](C)C)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030414134	0	58	0.0	-69.65	413.47	5.05	-64.60
C=CCC1(NC(=O)C[N@H+]2CCC2C)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030414146	1	56	0.0	-75.87	402.95	5.91	-69.96
C=CCC1(NC(=O)C[N@@H+]2CCC2C)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030414146	1	56	0.0	-68.40	404.84	4.88	-63.52
C=CCC1(NC(=O)CSC(N)=[NH2+])CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030414174	0	50	0.0	-70.53	383.18	0.74	-69.79
C=CCC1(NC(=O)[C@@H]2CCC[N@H+]2C)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030414211	0	56	0.0	-67.51	399.09	4.82	-62.69
C=CCC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030414211	1	56	0.0	-71.97	391.04	4.26	-67.71
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)C1CCC[N@H+]1C	REAL300030414352	0	56	0.0	-65.84	400.22	4.64	-61.20
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)C1CCC[N@@H+]1C	REAL300030414352	1	56	0.0	-72.03	403.26	5.99	-66.04
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)C(CC)[NH+](C)C	REAL300030414467	0	58	0.0	-65.39	405.80	4.76	-60.63
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)C[N@@H+](C)CCC	REAL300030414473	0	58	0.0	-69.27	418.38	5.33	-63.94
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)C[N@H+](C)CCC	REAL300030414473	1	58	0.0	-75.63	419.92	6.53	-69.10
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)CC[N@@H+](C)CC	REAL300030414497	0	58	0.0	-81.24	420.91	6.43	-74.81
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)CC[N@H+](C)CC	REAL300030414497	1	58	0.0	-81.10	420.91	6.44	-74.66
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)[C@H](CC)[NH+](C)C	REAL300030414558	0	58	0.0	-65.77	407.86	4.95	-60.82
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)CN1C=C[NH+]=C1C	REAL300030414585	1	54	0.0	-64.45	409.88	6.87	-57.58
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)CN1C=[NH+]C=C1C	REAL300030414599	1	54	0.0	-73.76	410.44	7.47	-66.29
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)[C@H]1CCC[N@H+]1C	REAL300030414630	0	56	0.0	-76.02	399.54	5.66	-70.36
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)[C@H]1CCC[N@@H+]1C	REAL300030414630	1	56	0.0	-67.49	398.83	4.68	-62.81
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)[C@H](C)[NH+](C)C	REAL300030414714	0	55	0.0	-77.33	394.57	5.46	-71.87
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)C[N@H+](C)CCO	REAL300030414727	1	56	0.0	-66.79	408.34	2.65	-64.14
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)C[N@@H+](C)CCO	REAL300030414727	1	56	0.0	-69.58	407.25	1.36	-68.22
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)C[NH+]1CC(C)C1	REAL300030414753	1	56	0.0	-68.89	410.53	5.02	-63.87
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)C[N@@H+](C)CC	REAL300030414774	0	55	0.0	-66.51	398.12	5.91	-60.60
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)C[N@H+](C)CC	REAL300030414774	1	55	0.0	-66.40	397.99	5.89	-60.51
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)C(C)C[NH+](C)C	REAL300030414821	0	58	0.0	-67.44	417.75	6.32	-61.12
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)C1([NH+](C)C)CC1	REAL300030414824	0	56	0.0	-72.37	398.58	4.48	-67.89
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)[C@@H](C)[NH+](C)C	REAL300030414830	0	55	0.0	-76.03	395.34	5.49	-70.54
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)C1CC[N@H+]1CC	REAL300030414833	0	56	0.0	-67.54	408.24	4.87	-62.67
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)C1CC[N@@H+]1CC	REAL300030414833	1	56	0.0	-68.33	403.08	4.49	-63.84
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)C1=C[NH+]=CC=C1N	REAL300030414841	0	52	0.0	-81.04	384.80	3.06	-77.98
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)C(C)(C)[NH+](C)C	REAL300030414846	0	58	0.0	-64.35	395.10	4.28	-60.07
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)[C@@H]1CCC[N@H+]1C	REAL300030414929	0	56	0.0	-75.24	401.99	6.05	-69.19
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)[C@@H]1CCC[N@@H+]1C	REAL300030414929	1	56	0.0	-72.97	399.53	5.63	-67.34
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)C[N@@H+](C)C1CC1	REAL300030414986	0	56	0.0	-75.42	410.10	6.59	-68.83
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)C[N@H+](C)C1CC1	REAL300030414986	1	56	0.0	-66.55	408.57	5.34	-61.21
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)CC1C[NH+](C)C1	REAL300030415022	0	56	0.0	-69.33	410.44	4.78	-64.55
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)C[NH+](C)C	REAL300030415027	0	52	0.0	-69.93	378.68	3.90	-66.03
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)[C@H](C)[NH+](C)C	REAL300030415032	0	55	0.0	-77.33	394.57	5.46	-71.87
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)C[N@H+]1CCC1C	REAL300030415043	0	56	0.0	-76.59	406.42	6.03	-70.56
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)C[N@@H+]1CCC1C	REAL300030415043	1	56	0.0	-74.99	407.97	4.97	-70.02
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)C=CC[NH+](C)C	REAL300030415044	0	56	0.0	-84.14	416.43	6.45	-77.69
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)C[NH+](CC)CC	REAL300030415055	0	58	0.0	-67.29	410.20	4.98	-62.31
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)C[NH+]1CCC1	REAL300030415058	1	53	0.0	-69.05	389.04	4.35	-64.70
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)C(C)[NH+]1CCC1	REAL300030415086	0	56	0.0	-75.92	406.82	6.01	-69.91
C[N@@H+]1CCCC1C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030415291	0	48	0.0	-58.68	360.66	3.06	-55.62
C[N@H+]1CCCC1C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030415291	1	48	0.0	-62.29	366.47	3.64	-58.65
C[N@@H+]1CCOC(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030415315	1	49	0.0	-77.88	370.79	2.75	-75.13
C[N@H+]1CCOC(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030415315	1	49	0.0	-81.23	377.79	2.89	-78.34
CC(C)C1=[NH+]C=CN1CCC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030415499	1	55	0.0	-61.72	426.07	5.66	-56.06
CC(C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300030415506	0	57	0.0	-62.27	409.37	4.86	-57.41
CC(C)[N@@H+]1CCCCC1C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030415508	0	57	0.0	-60.76	406.88	5.00	-55.76
CC(C)[N@H+]1CCCCC1C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030415508	1	57	0.0	-56.66	413.73	5.00	-51.66
CC(C)[N@@H+]1CCCC1C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030415542	0	54	0.0	-58.17	393.19	4.79	-53.38
CC(C)[N@H+]1CCCC1C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030415542	1	54	0.0	-67.59	392.10	4.64	-62.95
C[C@]1(CNC(=O)C2CC3CCCC[N@@H+]3C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030415568	0	55	0.0	-58.36	408.17	5.25	-53.11
C[C@]1(CNC(=O)C2CC3CCCC[N@H+]3C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030415568	1	55	0.0	-61.02	408.09	5.19	-55.83
CC(C)C1=[NH+]C=CN1CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030415601	1	52	0.0	-61.51	406.17	5.16	-56.35
CC1=[NH+]C=CN1CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030415655	1	46	0.0	-61.75	368.81	4.02	-57.73
CC(C[NH+]1CCOCC1)C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030415657	0	55	0.0	-68.13	411.97	3.32	-64.81
C[C@]1(CNC(=O)CCC[NH+]2CCCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030415679	0	57	0.0	-68.70	425.52	5.79	-62.91
CC(C)(C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300030415706	0	57	0.0	-62.89	409.20	5.51	-57.38
C[C@]1(CNC(=O)C2C[NH+]3CCC2CC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030415725	0	52	0.0	-61.68	381.87	4.26	-57.42
C[C@]1(CNC(=O)C2CCCC3CCC[N@@H+]32)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030415783	0	55	0.0	-64.64	396.75	5.04	-59.60
C[C@]1(CNC(=O)C2CCCC3CCC[N@H+]32)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030415783	1	55	0.0	-59.78	405.18	5.30	-54.48
C[NH+](C)CCN1C=C(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C=N1	REAL300030415785	0	54	0.0	-77.03	424.76	3.94	-73.09
C[NH+](C)CCN1C=CC(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)=N1	REAL300030415800	0	54	0.0	-76.86	424.64	4.04	-72.82
C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030415807	0	51	0.0	-74.26	376.54	3.43	-70.83
C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030415807	1	51	0.0	-71.60	382.03	3.97	-67.63
CCC1=[NH+]C=CN1C(C)CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030415810	1	55	0.0	-61.90	426.46	5.76	-56.14
CC[C@@H]1[C@@H](C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030415813	0	54	0.0	-71.22	397.06	4.14	-67.08
CC[C@@H]1[C@@H](C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030415813	1	54	0.0	-71.63	402.13	4.46	-67.17
CC[N@@H+]1CCOC(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030415839	1	52	0.0	-67.81	395.65	3.55	-64.26
CC[N@H+]1CCOC(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030415839	1	52	0.0	-54.74	388.46	3.37	-51.37
CC[NH+](CC)CC(F)C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030415899	0	53	0.0	-63.34	399.62	4.04	-59.30
C[NH+](C)CC1=C(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)SC=C1	REAL300030415900	0	51	0.0	-58.44	405.64	5.14	-53.30
CC1CCC(C)[NH+]1CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030416005	0	54	0.0	-62.48	388.25	4.13	-58.35
C[C@]1(CNC(=O)CCC[NH+]2CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030416012	0	54	0.0	-68.63	409.85	5.08	-63.55
C[NH+](C)CC1=CC=CC(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300030416013	0	54	0.0	-71.27	418.62	5.95	-65.32
C#CC[NH+]1CCC(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030416020	0	53	0.0	-71.65	409.77	5.41	-66.24
C[C@]1(CNC(=O)CC[NH+]2CCCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030416021	0	54	0.0	-67.28	404.02	4.97	-62.31
C[NH+](C)CC1=CC=CC=C1C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030416025	0	54	0.0	-57.26	411.06	6.29	-50.97
CC[N@@H+]1CCCCC1C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030416034	0	54	0.0	-64.03	400.45	4.71	-59.32
CC[N@H+]1CCCCC1C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030416034	1	54	0.0	-59.93	399.45	4.62	-55.31
CC(C)C(C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300030416035	0	60	0.0	-48.15	417.54	6.74	-41.41
C[NH+](C)C(C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030416038	1	54	0.0	-68.24	414.87	6.08	-62.16
CC(C)C[N@@H+]1CCC(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030416064	0	57	0.0	-64.91	424.46	5.46	-59.45
CC(C)C[N@H+]1CCC(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030416064	1	57	0.0	-69.49	424.14	5.39	-64.10
C[NH+](C)C1(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300030416068	0	51	0.0	-66.80	361.11	5.11	-61.69
C[NH+](C)C(CN1C=CC=N1)C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030416070	1	54	0.0	-68.45	413.73	4.24	-64.21
CC(C)[N@@H+]1CCCC1CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030416075	0	57	0.0	-54.05	410.21	5.01	-49.04
CC(C)[N@H+]1CCCC1CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030416075	1	57	0.0	-65.85	418.29	5.05	-60.80
C[C@]1(CNC(=O)C2CCC[N@@H+]2C2CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030416076	0	58	0.0	-62.37	422.91	6.12	-56.25
C[C@]1(CNC(=O)C2CCC[N@H+]2C2CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030416076	1	58	0.0	-59.02	421.69	5.66	-53.36
CC(C)[C@@H](C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030416097	0	53	0.0	-69.15	388.52	4.74	-64.41
C[N@H+](CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030416159	0	51	0.0	-61.50	386.72	4.48	-57.02
C[N@@H+](CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030416159	1	51	0.0	-63.43	386.63	4.44	-58.99
CC(C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300030416245	0	57	0.0	-58.51	410.04	4.63	-53.88
CN(CCC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=[NH+]C=C1	REAL300030416324	0	53	0.0	-69.67	415.24	4.13	-65.54
C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030416336	1	50	0.0	-65.04	387.21	4.24	-60.80
C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030416336	1	50	0.0	-64.44	392.57	4.87	-59.57
C[N@@H+]1CCCC1CCC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030416346	0	54	0.0	-68.00	401.40	4.45	-63.55
C[N@H+]1CCCC1CCC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030416346	1	54	0.0	-66.45	403.77	4.93	-61.52
C[C@]1(CNC(=O)C23CCC[NH+](CCC2)C3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030416359	0	55	0.0	-69.59	397.59	4.78	-64.81
C[C@]1(CNC(=O)C2CCC3CCCC[N@@H+]32)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030416367	0	55	0.0	-59.77	408.30	5.37	-54.40
C[C@]1(CNC(=O)C2CCC3CCCC[N@H+]32)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030416367	1	55	0.0	-61.01	408.26	5.42	-55.59
CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030416375	0	58	0.0	-68.64	423.49	3.66	-64.98
C[C@]1(CNC(=O)CCCC[NH+]2CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030416395	0	57	0.0	-69.74	430.81	5.72	-64.02
C[N@H+](CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300030416398	1	54	0.0	-67.21	417.27	6.09	-61.12
C[N@@H+](CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300030416398	1	54	0.0	-68.89	416.79	6.16	-62.73
C[NH+]1CCC(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030416415	0	51	0.0	-68.86	384.99	4.10	-64.76
C[NH+](C)CC1=CC(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)=NO1	REAL300030416475	1	50	0.0	-76.17	399.14	3.57	-72.60
CC1=C(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300030416477	0	49	0.0	-68.53	384.65	6.34	-62.19
C[N@@H+]1CCCCC1C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030416520	0	51	0.0	-66.65	381.94	4.05	-62.60
C[N@H+]1CCCCC1C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030416520	1	51	0.0	-58.43	382.38	4.05	-54.38
CC(C)C[N@@H+]1CCCC1C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030416551	0	57	0.0	-59.04	419.64	5.20	-53.84
CC(C)C[N@H+]1CCCC1C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030416551	1	57	0.0	-63.24	424.58	5.61	-57.63
C[C@]1(CNC(=O)C2=CN3C=[NH+]C=C3C=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030416708	0	46	0.0	-69.78	370.18	6.04	-63.74
CC1=[NH+]C=CN1CCCC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030416721	1	52	0.0	-65.47	411.42	5.34	-60.13
C[C@]1(CNC(=O)CCCC[NH+]2CCOCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030416725	1	58	0.0	-73.16	438.33	4.16	-69.00
C[NH+](C)CC1=CC=C(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300030416731	0	54	0.0	-75.51	418.16	6.03	-69.48
C[C@]1(CNC(=O)CC[NH+]2CCOCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030416732	1	52	0.0	-69.18	395.26	2.44	-66.74
CCC[NH+](CCC)CCCC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030416757	0	62	0.0	-69.48	462.14	6.69	-62.79
CC1=C[NH+]=CN1CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030416777	1	46	0.0	-68.33	369.78	4.89	-63.44
C[C@]1(CNC(=O)CN2C=[NH+]C3=C2CCCC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030416788	1	53	0.0	-67.86	412.00	6.51	-61.35
C[NH+](C)CC1(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL300030416832	0	60	0.0	-51.07	381.76	6.48	-44.59
C[N@H+](CCC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300030416838	0	60	0.0	-67.82	439.03	6.10	-61.72
C[N@@H+](CCC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300030416838	1	60	0.0	-66.62	439.03	6.09	-60.53
C[C@]1(CNC(=O)C23CCC[NH+]2CCC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030416843	0	52	0.0	-61.56	384.87	4.55	-57.01
C[NH+](C)C1CCCC(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030416882	0	57	0.0	-70.39	419.39	5.34	-65.05
C[N@@H+]1CCC(CC(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030416887	0	51	0.0	-72.15	386.72	4.16	-67.99
C[N@H+]1CCC(CC(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030416887	1	51	0.0	-70.56	386.88	4.18	-66.38
CN(C)C1=CC=[NH+]C=C1C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030416901	0	50	0.0	-71.44	390.92	3.38	-68.06
CCC(C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030416907	0	50	0.0	-65.26	370.51	3.47	-61.79
C[NH+](C)C1(CC(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300030416927	0	57	0.0	-69.46	403.89	4.98	-64.48
C[C@]1(CNC(=O)C2=CC3=C[NH+]=CN3C=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030416992	1	46	0.0	-73.53	370.45	6.05	-67.48
C[C@]1(CNC(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030417035	1	49	0.0	-79.13	399.65	3.98	-75.15
C[NH+](C)CCCCC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030417069	0	53	0.0	-71.24	405.87	4.61	-66.63
CC(C)C(C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030417091	0	53	0.0	-58.20	386.62	4.48	-53.72
CCC[N@H+](C)CCC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030417093	0	53	0.0	-68.09	402.10	4.43	-63.66
CCC[N@@H+](C)CCC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030417093	1	53	0.0	-67.70	402.10	4.41	-63.29
CCC[N@H+](C)CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030417099	0	50	0.0	-64.03	379.85	3.91	-60.12
CCC[N@@H+](C)CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030417099	1	50	0.0	-64.71	379.73	3.87	-60.84
C[C@]1(CNC(=O)C23CC[N@H+](C2)CCC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030417129	0	52	0.0	-67.08	382.58	3.67	-63.41
C[C@]1(CNC(=O)C23CC[N@@H+](C2)CCC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030417129	1	52	0.0	-71.00	382.92	3.69	-67.31
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030417193	0	48	0.0	-60.13	360.08	3.06	-57.07
C[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030417193	1	48	0.0	-61.68	366.56	3.50	-58.18
CC1CC2CCC(C(=O)NC[C@@]3(C)CCCN3C(=O)C3=CC(=O)[N-]O3)C[N@@H+]2C1	REAL300030417220	0	58	0.0	-64.09	428.53	5.81	-58.28
CC1CC2CCC(C(=O)NC[C@@]3(C)CCCN3C(=O)C3=CC(=O)[N-]O3)C[N@H+]2C1	REAL300030417220	1	58	0.0	-62.15	422.56	6.10	-56.05
CCCCCC[N@H+](C)CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030417271	0	59	0.0	-64.94	444.34	6.25	-58.69
CCCCCC[N@@H+](C)CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030417271	1	59	0.0	-65.71	444.23	6.22	-59.49
CC[NH+](CC)C(C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300030417280	0	59	0.0	-63.77	419.90	5.67	-58.10
CC[NH+](CC)CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030417290	0	50	0.0	-63.13	371.74	3.58	-59.55
CCC[N@@H+]1CCCC(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030417324	0	57	0.0	-58.74	418.14	5.73	-53.01
CCC[N@H+]1CCCC(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030417324	1	57	0.0	-62.45	418.01	5.69	-56.76
CC(C)[N@@H+]1CCOC(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030417347	0	55	0.0	-74.20	405.29	3.89	-70.31
CC(C)[N@H+]1CCOC(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030417347	1	55	0.0	-76.89	412.36	4.05	-72.84
CC1CC[NH+](CC(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030417387	0	54	0.0	-64.34	403.08	4.94	-59.40
C[C@]1(CNC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030417418	1	49	0.0	-77.65	399.32	3.98	-73.67
C[NH+]1CCC(OCC(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030417427	0	55	0.0	-74.77	419.97	4.64	-70.13
C[NH+](C)CC1(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030417444	0	51	0.0	-60.19	378.02	4.62	-55.57
CC1=[NH+]C=C2CCC(C(=O)NC[C@@]3(C)CCCN3C(=O)C3=CC(=O)[N-]O3)CN21	REAL300030417445	1	53	0.0	-62.64	407.65	5.30	-57.34
CC(C)[NH+]1CCC(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030417546	0	57	0.0	-71.29	419.30	5.28	-66.01
C[NH+]1CCC(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030417576	0	51	0.0	-68.86	384.99	4.10	-64.76
CC(C)[C@H](C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030417599	0	53	0.0	-58.22	386.15	4.46	-53.76
CCC(C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300030417636	0	56	0.0	-57.72	406.44	4.81	-52.91
CC[N@H+](C)CCC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030417731	0	50	0.0	-67.15	380.72	3.72	-63.43
CC[N@@H+](C)CCC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030417731	1	50	0.0	-66.76	380.71	3.71	-63.05
CC1CCC[N@@H+]1CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030417807	0	51	0.0	-62.34	378.76	3.95	-58.39
CC1CCC[N@H+]1CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030417807	1	51	0.0	-61.75	378.88	3.95	-57.80
CC1CC[N@H+](CC(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030417809	0	51	0.0	-64.70	386.62	4.07	-60.63
CC1CC[N@@H+](CC(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030417809	1	51	0.0	-63.68	385.82	4.10	-59.58
CC(C)(C)[N@@H+]1CCC(F)(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030417810	0	57	0.0	-58.58	421.50	4.69	-53.89
CC(C)(C)[N@H+]1CCC(F)(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030417810	1	57	0.0	-59.04	422.28	4.80	-54.24
CC1=[NH+]C=C2CC(C(=O)NC[C@@]3(C)CCCN3C(=O)C3=CC(=O)[N-]O3)CCN21	REAL300030417812	1	53	0.0	-62.63	408.96	5.20	-57.43
CC1(C)CC[N@H+](CC(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030417815	0	54	0.0	-63.93	405.35	4.69	-59.24
CC1(C)CC[N@@H+](CC(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030417815	1	54	0.0	-62.84	405.56	4.74	-58.10
C[N@H+](CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030417816	0	56	0.0	-64.38	410.53	4.96	-59.42
C[N@@H+](CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030417816	1	56	0.0	-64.95	410.50	5.10	-59.85
CC[C@@H](C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030417827	0	50	0.0	-65.26	370.49	3.47	-61.79
CC(COCC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCC1	REAL300030417835	0	58	0.0	-65.36	438.41	5.21	-60.15
C[C@]1(CNC(=O)C2CC[NH+](CC3CC3)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030417923	0	58	0.0	-68.72	430.95	6.03	-62.69
C[NH+]1CCC(O)(CC(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030418073	0	55	0.0	-67.79	410.88	2.82	-64.97
COCC[N@@H+]1CCCC1CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418080	0	58	0.0	-65.61	434.87	4.13	-61.48
COCC[N@H+]1CCCC1CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418080	1	58	0.0	-65.63	439.09	3.97	-61.66
C[NH+](C)CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418088	0	44	0.0	-65.38	340.50	2.46	-62.92
C[C@]1(CNC(=O)C[NH+]2CCC(CO)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418093	1	55	0.0	-65.86	414.01	1.66	-64.20
C[C@]1(CNC(=O)C[NH+]2CCCCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418097	0	54	0.0	-62.40	391.51	4.52	-57.88
CN1C=C[N+](CC(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300030418102	0	46	0.0	-65.24	371.74	5.96	-59.28
C[N@@H+]1CCCC(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030418113	0	51	0.0	-66.87	385.00	4.08	-62.79
C[N@H+]1CCCC(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030418113	1	51	0.0	-63.13	378.82	4.30	-58.83
C[C@]1(CNC(=O)C2CCC[N@@H+]2C2CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418119	0	52	0.0	-60.27	397.80	4.98	-55.29
C[C@]1(CNC(=O)C2CCC[N@H+]2C2CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418119	1	52	0.0	-61.89	392.42	4.94	-56.95
CC(C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030418156	1	48	0.0	-62.70	367.70	3.57	-59.13
CCC(CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030418165	0	56	0.0	-70.49	411.60	4.82	-65.67
C[NH+](C)CC(C)(C)C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418174	0	53	0.0	-58.17	387.43	4.13	-54.04
C[C@]1(CNC(=O)C23CC(C2)C[N@@H+]3C2CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418197	0	53	0.0	-62.56	382.34	5.36	-57.20
C[C@]1(CNC(=O)C23CC(C2)C[N@H+]3C2CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418197	1	53	0.0	-65.57	396.03	5.55	-60.02
C[C@]1(CNC(=O)C[NH+]2CCC(O)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418220	1	52	0.0	-67.64	393.44	1.01	-66.63
C[N@H+](CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030418222	0	48	0.0	-62.53	369.30	3.95	-58.58
C[N@@H+](CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030418222	1	48	0.0	-63.62	369.42	3.95	-59.67
CC(C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300030418223	1	56	0.0	-70.83	410.89	2.34	-68.49
C[NH+]1CC(CC(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030418252	0	48	0.0	-69.97	372.06	3.32	-66.65
C[C@]1(CNC(=O)C2CC[N@@H+]2C2CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418256	0	55	0.0	-64.20	409.00	4.98	-59.22
C[C@]1(CNC(=O)C2CC[N@H+]2C2CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418256	1	55	0.0	-64.08	411.15	5.28	-58.80
CC(C)(C)[N@@H+]1CCC1C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418264	0	54	0.0	-67.90	383.43	3.99	-63.91
CC(C)(C)[N@H+]1CCC1C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418264	1	54	0.0	-63.11	402.36	4.31	-58.80
C[C@]1(CNC(=O)C2CCN(C3=CC=[NH+]C=C3)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418275	0	54	0.0	-64.39	414.44	3.02	-61.37
C[C@@H](C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030418278	0	47	0.0	-64.80	357.79	2.94	-61.86
CCC1CCC[N@H+](CC(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030418330	0	57	0.0	-63.98	421.50	5.59	-58.39
CCC1CCC[N@@H+](CC(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030418330	1	57	0.0	-64.47	414.44	5.54	-58.93
C[NH+](C)CC1=CC=C(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)N1	REAL300030418339	0	52	0.0	-73.83	406.48	3.98	-69.85
C[NH+]1C2CCC1CC(CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030418354	0	58	0.0	-75.92	405.78	4.90	-71.02
C[C@]1(CNC(=O)CN2C=CSC2=[NH2+])CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418400	0	44	0.0	-63.76	367.49	2.61	-61.15
C[N@H+](CCO)CCC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418413	0	51	0.0	-65.81	391.07	0.49	-65.32
C[N@@H+](CCO)CCC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418413	1	51	0.0	-67.53	390.93	0.51	-67.02
C[C@@H](C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030418414	0	47	0.0	-64.80	357.79	2.94	-61.86
C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418418	0	51	0.0	-62.93	372.57	3.86	-59.07
C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418418	1	51	0.0	-58.43	382.39	4.04	-54.39
CC1CN2CC[N@@H+]1CC2C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418428	0	54	0.0	-64.18	391.34	1.37	-62.81
CC1CN2CC[N@H+]1CC2C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418428	1	54	0.0	-78.52	390.97	1.30	-77.22
COC1C[N@@H+]2CCCC2(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030418477	0	56	0.0	-70.51	418.82	3.21	-67.30
COC1C[N@H+]2CCCC2(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030418477	1	56	0.0	-50.68	399.16	4.42	-46.26
C[C@]1(CNC(=O)CC2=CC3=C[NH+]=CN3C=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418493	0	49	0.0	-68.63	394.91	6.65	-61.98
C[N@H+](CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300030418526	0	52	0.0	-68.16	399.51	4.77	-63.39
C[N@@H+](CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300030418526	1	52	0.0	-70.59	399.81	4.72	-65.87
C[NH+](C)CC1=CC(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)=CC=N1	REAL300030418565	1	53	0.0	-68.19	414.55	4.47	-63.72
C[N@@H+]1CCC(=CC(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030418567	0	49	0.0	-72.66	377.84	4.10	-68.56
C[N@H+]1CCC(=CC(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030418567	1	49	0.0	-72.69	377.93	4.12	-68.57
C[C@]1(CNC(=O)C2C[NH+](C3CCCCC3)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418594	0	58	0.0	-62.05	431.87	5.82	-56.23
C[NH+](C)CCOCC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418612	0	51	0.0	-66.65	396.14	3.56	-63.09
CCCCC[N@H+](C)CCC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418619	0	59	0.0	-68.96	445.09	5.99	-62.97
CCCCC[N@@H+](C)CCC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418619	1	59	0.0	-68.06	445.21	6.02	-62.04
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030418629	0	55	0.0	-70.17	418.86	4.48	-65.69
C=CCC(C)(C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030418641	0	54	0.0	-63.10	395.01	4.89	-58.21
C[S+](C)CCC(O)C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418646	0	50	0.0	-79.39	405.18	2.21	-77.18
C[N@@H+]1CC(O)CC1(C)C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418681	0	52	0.0	-65.76	387.01	0.63	-65.13
CN1CC[N@H+](C)CC(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030418696	0	56	0.0	-62.58	411.65	2.22	-60.36
CN1CC[N@@H+](C)CC(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030418696	1	56	0.0	-62.58	411.65	2.22	-60.36
CC(C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)N1CCCC(O)C1	REAL300030418697	0	55	0.0	-64.46	411.49	1.39	-63.07
CC(C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300030418697	1	55	0.0	-59.35	408.77	1.65	-57.70
CC(C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[N@H+]1CCCC(O)C1	REAL300030418697	1	55	0.0	-59.35	408.77	1.65	-57.70
C[C@]1(CNC(=O)CN2CCC(CO)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418712	0	55	0.0	-65.86	414.01	1.66	-64.20
C[C@]1(CNC(=O)C[NH+]2CCC(CO)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418712	1	55	0.0	-65.86	414.01	1.66	-64.20
C[N@@H+]1CCCC(O)(CC(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030418722	0	55	0.0	-66.78	398.33	2.76	-64.02
C[N@H+]1CCCC(O)(CC(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030418722	1	55	0.0	-66.78	398.33	2.76	-64.02
CC1CN(CC(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030418726	0	48	0.0	-65.83	371.27	3.63	-62.20
CC1C[NH+](CC(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030418726	1	48	0.0	-65.83	371.27	3.63	-62.20
C[C@]1(CNC(=O)CN2CCC(C(N)=O)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418731	0	55	0.0	-75.10	418.26	1.04	-74.06
C[C@]1(CNC(=O)C[NH+]2CCC(C(N)=O)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418731	1	55	0.0	-75.10	418.26	1.04	-74.06
CN(CCO)CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418756	0	48	0.0	-66.84	368.59	-0.10	-66.94
C[N@H+](CCO)CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418756	1	48	0.0	-63.50	368.71	-0.06	-63.56
C[N@@H+](CCO)CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418756	1	48	0.0	-63.50	368.71	-0.06	-63.56
C[NH+]1C2CCC1CC(=CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030418779	0	56	0.0	-70.00	413.26	5.38	-64.62
C[C@]1(CNC(=O)C2C[N@@H+]3CCN2CCC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418784	0	54	0.0	-66.79	386.91	2.30	-64.49
C[C@]1(CNC(=O)C2C[N@H+]3CCN2CCC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418784	1	54	0.0	-66.79	386.91	2.30	-64.49
CC[N@@H+]1CCCC(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030418793	0	54	0.0	-67.27	402.43	4.87	-62.40
CC[N@H+]1CCCC(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030418793	1	54	0.0	-67.27	402.43	4.87	-62.40
CC(CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030418795	0	53	0.0	-70.90	397.69	4.46	-66.44
CC[N@H+](C)CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418811	0	47	0.0	-64.50	358.24	3.13	-61.37
C[C@]1(CNC(=O)C23CCC[N@@H+]2CCCC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418840	0	55	0.0	-51.12	377.85	5.66	-45.46
C[C@]1(CNC(=O)C23CCC[N@H+]2CCCC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418840	1	55	0.0	-51.12	377.85	5.66	-45.46
C[C@]1(CNC(=O)C23CCC[N@@H+]2CC=CC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418850	0	53	0.0	-66.07	366.70	5.75	-60.32
C[C@]1(CNC(=O)C23CCC[N@H+]2CC=CC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418850	1	53	0.0	-55.00	375.34	5.26	-49.74
CC[N@H+](CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030418878	0	51	0.0	-61.45	389.15	4.54	-56.91
CC[N@@H+](CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030418878	1	51	0.0	-62.71	385.84	4.50	-58.21
C[NH+](C)C1(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CCCSC1	REAL300030418881	0	55	0.0	-52.05	383.89	5.56	-46.49
CC[NH+](CC)CCC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418903	0	53	0.0	-67.46	393.95	4.09	-63.37
C[NH+]1CCC(=CC(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030418922	0	52	0.0	-72.40	394.46	4.84	-67.56
C[C@]1(CNC(=O)CCCC[NH+]2CCCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418943	0	60	0.0	-69.68	447.51	6.48	-63.20
CC1(O)CC[N@H+](CC(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030418978	0	52	0.0	-63.79	396.61	0.83	-62.96
CC1(O)CC[N@@H+](CC(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030418978	1	52	0.0	-65.91	397.14	0.90	-65.01
C[NH+](C)CC=CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418991	0	48	0.0	-73.43	377.43	3.84	-69.59
CC(OCC[NH+](C)C)C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419018	0	54	0.0	-64.31	415.53	4.20	-60.11
C[NH+](C)CCOCCC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419029	0	54	0.0	-70.65	416.88	3.36	-67.29
COCC[N@H+](C)CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419030	1	51	0.0	-64.91	390.52	2.31	-62.60
COCC[N@@H+](C)CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419030	1	51	0.0	-66.37	390.95	2.34	-64.03
COCCCC[N@H+](C)CCC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419062	0	60	0.0	-71.62	457.27	4.28	-67.34
COCCCC[N@@H+](C)CCC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419062	1	60	0.0	-70.83	457.38	4.31	-66.52
C[NH+](C)C1(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300030419088	0	54	0.0	-55.89	363.27	4.99	-50.90
CC(CCC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030419091	0	53	0.0	-72.58	394.12	4.17	-68.41
CC[N@@H+]1CCC1C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419101	1	48	0.0	-64.66	372.13	3.44	-61.22
CC[N@H+]1CCC1C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419101	1	48	0.0	-63.88	365.03	3.12	-60.76
CC(C)[N@@H+]1CCCC(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030419114	0	57	0.0	-64.37	419.33	5.26	-59.11
CC(C)[N@H+]1CCCC(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030419114	1	57	0.0	-62.44	412.99	5.56	-56.88
C[C@]1(CNC(=O)C[N@@H+]2CCCC2CO)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419129	0	52	0.0	-63.24	390.21	0.54	-62.70
C[C@]1(CNC(=O)C[N@H+]2CCCC2CO)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419129	1	52	0.0	-64.35	394.55	0.90	-63.45
C[C@]1(CNC(=O)C2CC3CCCC[N@@H+]3C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419156	0	55	0.0	-58.36	408.17	5.25	-53.11
C[C@]1(CNC(=O)C2CC3CCCC[N@H+]3C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419156	1	55	0.0	-61.02	408.09	5.19	-55.83
C[NH+]1CCC(C)(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030419165	0	54	0.0	-58.49	397.45	4.67	-53.82
C[NH+](C)CC1=CNC(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300030419171	0	52	0.0	-71.47	406.95	3.78	-67.69
CC(C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300030419192	1	55	0.0	-67.61	411.49	1.38	-66.23
C=CCC(C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030419208	0	51	0.0	-64.75	384.01	3.96	-60.79
C[N@@H+]1CC(C)(C)CC1C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419226	0	54	0.0	-64.75	406.30	4.57	-60.18
C[N@H+]1CC(C)(C)CC1C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419226	1	54	0.0	-61.25	405.79	4.79	-56.46
C[NH+](C)CCCCCC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419231	0	56	0.0	-71.81	427.36	5.39	-66.42
C[C@]1(CNC(=O)C[NH+]2CC3CC3C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419242	0	49	0.0	-64.91	375.74	4.32	-60.59
CC1C[N@@H+]2CCN1C(C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030419279	0	54	0.0	-80.56	392.85	1.51	-79.05
CC1C[N@H+]2CCN1C(C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030419279	1	54	0.0	-80.92	392.71	1.48	-79.44
CCCC(C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030419280	0	53	0.0	-61.86	395.59	4.44	-57.42
C[NH+](C)C(C)(C)C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419285	0	50	0.0	-62.60	367.70	3.66	-58.94
CC[NH+](CC)CCSCC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419326	0	57	0.0	-72.22	438.32	5.49	-66.73
C[N@@H+]1CCCCC1C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419338	0	51	0.0	-66.65	381.94	4.05	-62.60
C[N@H+]1CCCCC1C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419338	1	51	0.0	-58.43	382.38	4.05	-54.38
C[N@H+]1CC=C(CC(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030419390	0	52	0.0	-68.79	399.75	4.82	-63.97
C[N@@H+]1CC=C(CC(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030419390	1	52	0.0	-67.30	399.66	4.80	-62.50
C[C@]1(CNC(=O)CC2([NH+]3CCCC3)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419400	0	55	0.0	-64.74	403.98	5.18	-59.56
C[N@@H+]1CCCC(C(C)(C)C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030419459	0	60	0.0	-71.24	430.02	5.65	-65.59
C[N@H+]1CCCC(C(C)(C)C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030419459	1	60	0.0	-71.24	430.02	5.65	-65.59
CN(C)CC1=CC=C(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030419464	0	51	0.0	-70.33	404.73	4.40	-65.93
C[NH+](C)CC1=CC=C(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030419464	1	51	0.0	-70.33	404.73	4.40	-65.93
C[C@]1(CNC(=O)C=CC[NH+]2CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419488	0	52	0.0	-71.92	402.32	4.96	-66.96
C[C@]1(CNC(=O)C2CC[NH+](C3CC3)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419515	0	55	0.0	-66.29	409.40	5.41	-60.88
C[C@]1(CNC(=O)CC[NH+]2CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419544	0	51	0.0	-67.61	388.35	4.28	-63.33
C[C@]1(CNC(=O)C2C[NH+]3CCN2CC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419591	0	51	0.0	-64.49	376.32	0.96	-63.53
C[N@@H+]1CC2CC1(C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030419602	0	49	0.0	-48.44	350.83	4.33	-44.11
C[C@]1(CNC(=O)C[N@@H+]2CC3CCC2C3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419618	0	52	0.0	-64.81	384.02	4.34	-60.47
CC(C)[NH+]1CCC(CC(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030419630	0	60	0.0	-68.08	434.45	5.80	-62.28
C[C@]1(CNC(=O)C=C2C[NH+]3CCC2CC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419681	0	53	0.0	-66.31	396.25	4.93	-61.38
C[C@]1(CNC(=O)CN2CC3C=CC2C3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419693	0	50	0.0	-61.16	378.89	4.42	-56.74
C[C@]1(CNC(=O)C[N@@H+]2CC3C=CC2C3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419693	1	50	0.0	-62.56	379.72	4.42	-58.14
C[C@]1(CNC(=O)C[N@H+]2CC3C=CC2C3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419693	1	50	0.0	-62.56	379.72	4.42	-58.14
CC(C[NH+](C)C)C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419758	0	50	0.0	-67.39	378.60	3.85	-63.54
C[N@@H+]1CCCCC1CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419860	0	54	0.0	-67.20	399.78	4.67	-62.53
C[N@H+]1CCCCC1CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419860	1	54	0.0	-70.45	399.22	4.65	-65.80
CC1=C2C=C(C(=O)NC[C@@]3(C)CCCN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030419883	1	49	0.0	-71.37	392.37	6.60	-64.77
CC(C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300030419884	1	51	0.0	-63.03	389.77	4.18	-58.85
CC1CC[N@@H+]1CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419888	1	48	0.0	-62.39	371.82	3.55	-58.84
CC1CC[N@H+]1CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419888	1	48	0.0	-65.28	371.76	3.51	-61.77
C[NH+](C)CC(O)CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419893	0	51	0.0	-72.17	393.23	1.55	-70.62
CC1C[N@H+](C)CC(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030419931	1	52	0.0	-53.48	392.08	3.50	-49.98
CC1C[N@@H+](C)CC(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030419931	1	52	0.0	-69.08	399.27	3.69	-65.39
C[C@]1(CNC(=O)CC[NH+]2CCC(O)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419943	0	55	0.0	-70.95	415.51	1.51	-69.44
CCC[N@@H+]1CCCCC1C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419946	0	57	0.0	-65.91	420.82	5.35	-60.56
CCC[N@H+]1CCCCC1C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419946	1	57	0.0	-59.01	421.41	5.41	-53.60
CC[NH+]1CCN(CCC(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030419951	0	59	0.0	-68.97	438.12	3.17	-65.80
CCN1CC[NH+](CCC(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030419951	1	59	0.0	-68.07	439.11	3.12	-64.95
C[C@]1(CNC(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419954	0	58	0.0	-69.89	410.87	5.24	-64.65
C[C@]1(CNC(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419954	1	58	0.0	-56.82	415.19	5.95	-50.87
CC(C)C[NH+]1CCC(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030420002	0	60	0.0	-68.98	441.59	6.19	-62.79
C[NH+](C)C1CCN(CC(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030420028	0	59	0.0	-71.59	433.53	3.28	-68.31
C[NH+](C)[C@H]1C[C@H](C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030420050	0	51	0.0	-72.86	389.95	4.16	-68.70
CC(CC[NH+](C)C)C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030420058	0	53	0.0	-69.24	400.45	4.34	-64.90
C[N@H+](CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300030420092	0	55	0.0	-61.39	411.69	1.76	-59.63
C[N@@H+](CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300030420092	1	55	0.0	-61.72	411.27	1.86	-59.86
C[NH+]1CCN(CC(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030420107	1	53	0.0	-70.99	399.22	2.07	-68.92
CC[NH+]1CCN(CC(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030420116	0	56	0.0	-69.47	416.96	2.75	-66.72
C[C@]1(CNC(=O)CSC(N)=[NH2+])CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030420148	0	42	0.0	-66.47	349.04	-0.58	-67.05
CC[N@@H+]1CCOCC1CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030420196	0	55	0.0	-66.51	403.57	2.79	-63.72
C[NH+](C)CCC1(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300030420215	0	60	0.0	-58.96	426.04	6.56	-52.40
CC1CCCC(C)[NH+]1CCC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030420217	0	60	0.0	-64.15	430.47	5.61	-58.54
C[NH+](C)C1CCC(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030420220	0	57	0.0	-71.45	419.23	5.28	-66.17
C[NH+](C)CCC1(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030420221	0	54	0.0	-53.61	403.44	5.51	-48.10
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030420225	0	57	0.0	-54.22	412.73	5.12	-49.10
C[N@@H+]1CC=CCC1CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030420226	0	52	0.0	-56.65	386.37	4.57	-52.08
C[N@H+]1CC=CCC1CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030420226	1	52	0.0	-56.65	386.37	4.57	-52.08
C[C@@H](OCC[NH+](C)C)C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030420256	0	54	0.0	-62.88	416.15	4.21	-58.67
C[NH+]1C2CCC1CC(C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030420290	0	55	0.0	-58.81	379.01	4.90	-53.91
CC(C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300030420443	1	52	0.0	-63.74	399.28	4.50	-59.24
CCC1C[NH+](CC(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030420446	1	51	0.0	-66.29	392.43	4.35	-61.94
C[C@]1(CNC(=O)C2C[NH+](C3CCOCC3)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030420448	0	56	0.0	-67.94	423.82	3.48	-64.46
C[C@]1(CNC(=O)C2([NH+]3CCCC3)CCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030420450	0	55	0.0	-53.10	387.11	5.63	-47.47
C[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030420461	1	48	0.0	-68.58	360.05	3.05	-65.53
C[C@]1(CNC(=O)CC[N@H+]2CCC(F)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030420471	1	51	0.0	-71.09	394.54	4.37	-66.72
COC1C[N@@H+](C)C(C)(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030420480	1	55	0.0	-59.70	411.44	3.11	-56.59
C[C@]1(CNC(=O)CC[NH+]2CCCCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030420493	0	57	0.0	-69.76	414.02	5.16	-64.60
C[C@]1(CNC(=O)C[NH+]2CCCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030420495	0	51	0.0	-63.59	382.27	4.34	-59.25
CC1C(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030420505	0	51	0.0	-65.36	386.88	3.86	-61.50
CC1C(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030420505	1	51	0.0	-63.23	378.23	3.68	-59.55
C[N@@H+]1CCCCC1CCC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030420508	0	57	0.0	-69.46	420.99	5.38	-64.08
C[N@H+]1CCCCC1CCC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030420508	1	57	0.0	-72.16	414.40	5.19	-66.97
C[C@]1(CNC(=O)C2CC[N@@H+]3CCOCC23)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030420544	0	53	0.0	-66.75	396.29	2.59	-64.16
C[C@]1(CNC(=O)C2CC[N@H+]3CCOCC23)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030420544	1	53	0.0	-67.63	395.20	2.79	-64.84
CC1=[NH+]C=C2C=CC(C(=O)NC[C@@]3(C)CCCN3C(=O)C3=CC(=O)[N-]O3)=CN21	REAL300030420552	0	49	0.0	-65.89	391.61	5.82	-60.07
CN1CCOCC1CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030420572	0	52	0.0	-56.76	383.73	2.17	-54.59
C[N@@H+]1CCOCC1CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030420572	1	52	0.0	-70.07	390.90	2.40	-67.67
C[N@H+]1CCOCC1CC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030420572	1	52	0.0	-56.76	383.73	2.17	-54.59
CC1=C(C)[NH+]=C(CCC(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)N1	REAL300030420583	1	52	0.0	-62.47	410.33	3.86	-58.61
CC(C)C[N@@H+]1CCCC(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030420602	0	60	0.0	-66.15	441.29	6.19	-59.96
CC(C)C[N@H+]1CCCC(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030420602	1	60	0.0	-68.52	441.34	6.14	-62.38
C[N@@H+]1CCCC1C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030420769	0	48	0.0	-57.87	368.53	3.38	-54.49
C[N@H+]1CCCC1C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030420769	1	48	0.0	-62.38	366.32	3.38	-59.00
CC1=[NH+]C=CN1CCCC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030420963	1	52	0.0	-64.05	413.69	5.42	-58.63
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCCC[NH+]1CCOCC1	REAL300030420967	1	58	0.0	-70.15	441.01	4.10	-66.05
C[NH+](C)CC1=CC=C(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300030420971	0	54	0.0	-83.31	414.71	6.08	-77.23
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC[NH+]1CCOCC1	REAL300030420972	1	52	0.0	-67.63	398.01	2.54	-65.09
CCC[NH+](CCC)CCCC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030420991	0	62	0.0	-65.83	465.29	6.74	-59.09
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300030421019	1	46	0.0	-75.43	364.39	6.03	-69.40
C[NH+](C)C1CCCC(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030421084	0	57	0.0	-61.55	421.87	5.22	-56.33
C[N@@H+]1CCC(CC(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030421089	0	51	0.0	-66.08	389.27	4.11	-61.97
C[N@H+]1CCC(CC(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030421089	1	51	0.0	-69.28	389.20	4.13	-65.15
CCC(C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030421106	0	50	0.0	-60.97	370.78	3.56	-57.41
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300030421115	1	49	0.0	-79.02	399.83	4.36	-74.66
CC1CC2CCC(C(=O)N3CCC[C@]3(C)CNC(=O)C3=CC(=O)[N-]O3)C[N@@H+]2C1	REAL300030421158	0	58	0.0	-57.92	421.85	5.84	-52.08
CC1CC2CCC(C(=O)N3CCC[C@]3(C)CNC(=O)C3=CC(=O)[N-]O3)C[N@H+]2C1	REAL300030421158	1	58	0.0	-57.21	420.61	5.73	-51.48
C[NH+](C)CCCCC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030421187	0	53	0.0	-68.29	408.10	4.67	-63.62
CCC[N@H+](C)CCC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030421208	0	53	0.0	-66.23	404.29	4.48	-61.75
CCC[N@@H+](C)CCC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030421208	1	53	0.0	-66.38	404.33	4.49	-61.89
CCC[N@H+](C)CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030421212	0	50	0.0	-63.42	381.98	3.90	-59.52
CCC[N@@H+](C)CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030421212	1	50	0.0	-63.24	382.02	3.91	-59.33
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C12CC[N@H+](C1)CCC2	REAL300030421235	0	52	0.0	-68.01	375.98	3.37	-64.64
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300030421235	1	52	0.0	-72.32	374.36	3.31	-69.01
CCCCCC[N@H+](C)CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030421274	0	59	0.0	-64.59	446.52	6.25	-58.34
CCCCCC[N@@H+](C)CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030421274	1	59	0.0	-64.23	446.69	6.25	-57.98
CC1CC[NH+](CC(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030421320	0	54	0.0	-63.76	405.35	4.98	-58.78
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300030421345	1	49	0.0	-72.90	393.08	4.04	-68.86
C[NH+]1CCC(OCC(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030421352	0	55	0.0	-73.94	423.25	4.69	-69.25
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC2CCCC[N@@H+]2C1	REAL300030421410	0	55	0.0	-60.86	408.21	5.13	-55.73
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC2CCCC[N@H+]2C1	REAL300030421410	1	55	0.0	-69.95	405.88	4.99	-64.96
C[NH+](C)CC1(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030421422	0	51	0.0	-71.23	390.16	4.10	-67.13
CC1=[NH+]C=C2CCC(C(=O)N3CCC[C@]3(C)CNC(=O)C3=CC(=O)[N-]O3)CN21	REAL300030421423	1	53	0.0	-60.53	406.20	4.91	-55.62
CC(C)[NH+]1CCC(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030421433	0	57	0.0	-68.60	420.83	5.21	-63.39
CC[N@H+](C)CCC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030421467	0	50	0.0	-65.57	382.80	3.74	-61.83
CC[N@@H+](C)CCC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030421467	1	50	0.0	-65.71	382.80	3.74	-61.97
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1C[NH+]2CCC1CC2	REAL300030421512	0	52	0.0	-75.77	379.65	4.05	-71.72
C[NH+]1CCC(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030421594	0	51	0.0	-71.32	386.52	4.02	-67.30
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[NH+](CC2CC2)CC1	REAL300030421681	0	58	0.0	-71.91	429.68	5.89	-66.02
CC[NH+](CC)CC(F)C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030421724	0	53	0.0	-60.90	400.99	4.17	-56.73
CC(C)C[N@@H+]1CCC(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030421758	0	57	0.0	-65.83	422.52	5.29	-60.54
CC(C)C[N@H+]1CCC(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030421758	1	57	0.0	-62.26	425.37	5.38	-56.88
CCC(C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300030421787	0	56	0.0	-57.40	398.11	5.10	-52.30
CC1CCC[N@@H+]1CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030421812	0	51	0.0	-59.83	381.44	3.87	-55.96
CC1CCC[N@H+]1CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030421812	1	51	0.0	-60.21	388.04	4.29	-55.92
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030421889	1	55	0.0	-59.75	428.14	5.68	-54.07
CC(C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300030421893	0	57	0.0	-60.68	411.36	4.88	-55.80
CC(C)[N@@H+]1CCCC1C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030421924	0	54	0.0	-64.02	388.73	4.57	-59.45
CC(C)[N@H+]1CCCC1C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030421924	1	54	0.0	-58.45	382.30	5.24	-53.21
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030421933	0	57	0.0	-61.46	413.13	4.84	-56.62
CC(C)[N@H+]1CCCC1CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030421933	1	57	0.0	-62.82	422.21	5.17	-57.65
CC1CC[N@H+](CC(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030421979	0	51	0.0	-61.96	388.11	4.16	-57.80
CC1CC[N@@H+](CC(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030421979	1	51	0.0	-62.82	388.50	4.24	-58.58
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030421980	0	57	0.0	-57.29	421.17	4.69	-52.60
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030421980	1	57	0.0	-64.28	420.77	4.65	-59.63
CC1=[NH+]C=C2CC(C(=O)N3CCC[C@]3(C)CNC(=O)C3=CC(=O)[N-]O3)CCN21	REAL300030421981	1	53	0.0	-65.17	412.40	5.15	-60.02
CC1(C)CC[N@H+](CC(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030421984	0	54	0.0	-62.12	407.79	4.76	-57.36
CC1(C)CC[N@@H+](CC(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030421984	1	54	0.0	-62.53	407.70	4.74	-57.79
C[N@H+](CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030421985	0	56	0.0	-63.31	412.59	4.99	-58.32
C[N@@H+](CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030421985	1	56	0.0	-62.13	413.11	5.07	-57.06
CC[C@@H](C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030421994	0	50	0.0	-61.02	370.70	3.56	-57.46
CC(COCC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCC1	REAL300030422001	0	58	0.0	-65.44	442.09	5.33	-60.11
CN(CCC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)C1=CC=[NH+]C=C1	REAL300030422146	0	53	0.0	-58.71	417.26	4.19	-54.52
CC1=[NH+]C=CN1CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030422254	1	46	0.0	-61.54	372.22	4.11	-57.43
CC(C[NH+]1CCOCC1)C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030422256	1	55	0.0	-66.77	409.74	2.92	-63.85
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCC[NH+]1CCCCC1	REAL300030422274	0	57	0.0	-65.64	428.24	5.76	-59.88
C[NH+](C)CC1=CC(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)=NO1	REAL300030422289	1	50	0.0	-73.85	399.43	3.86	-69.99
CC1=C(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300030422291	0	49	0.0	-65.48	381.66	5.92	-59.56
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030422337	1	52	0.0	-59.38	408.73	5.25	-54.13
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300030422384	0	55	0.0	-59.53	398.76	4.85	-54.68
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCCC2CCC[N@H+]21	REAL300030422384	1	55	0.0	-61.93	394.94	4.59	-57.34
CC[N@@H+]1CCOC(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030422415	1	52	0.0	-56.72	386.35	3.10	-53.62
CC[N@H+]1CCOC(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030422415	1	52	0.0	-73.19	386.60	3.17	-70.02
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300030422477	0	46	0.0	-68.43	364.36	5.97	-62.46
CC1=C[NH+]=CN1CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030422482	1	46	0.0	-60.77	372.53	4.84	-55.93
C[NH+](C)CCN1C=C(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C=N1	REAL300030422487	0	54	0.0	-75.83	418.27	4.09	-71.74
C[NH+](C)CCN1C=CC(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300030422500	0	54	0.0	-79.87	425.22	4.28	-75.59
C[C@@H]1[C@H](C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030422507	0	51	0.0	-62.35	376.16	4.15	-58.20
C[C@@H]1[C@H](C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030422507	1	51	0.0	-65.15	384.07	3.74	-61.41
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030422509	1	55	0.0	-59.87	428.75	5.75	-54.12
CC[C@@H]1[C@@H](C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030422512	0	54	0.0	-63.96	397.58	4.04	-59.92
CC[C@@H]1[C@@H](C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030422512	1	54	0.0	-63.02	402.39	4.38	-58.64
CC1CCC(C)[NH+]1CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030422528	0	54	0.0	-61.30	390.54	4.10	-57.20
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCC[NH+]1CCCC1	REAL300030422535	0	54	0.0	-65.65	412.57	5.06	-60.59
C[NH+](C)CC1=CC=CC(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030422536	0	54	0.0	-71.12	412.80	5.96	-65.16
C#CC[NH+]1CCC(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030422542	0	53	0.0	-70.81	411.19	5.17	-65.64
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC[NH+]1CCCCC1	REAL300030422543	0	54	0.0	-64.70	406.74	4.96	-59.74
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1C=[NH+]C2=C1CCCC2	REAL300030422561	1	53	0.0	-59.40	414.38	6.57	-52.83
C[NH+](C)CC1(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL300030422594	0	60	0.0	-77.60	412.91	5.19	-72.41
C[N@H+](CCC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300030422598	0	60	0.0	-65.78	441.14	6.10	-59.68
C[N@@H+](CCC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300030422598	1	60	0.0	-66.90	441.14	6.12	-60.78
C[NH+](C)C1(CC(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300030422601	0	57	0.0	-67.59	406.65	4.97	-62.62
C[N@H+](CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030422798	0	51	0.0	-61.80	389.18	4.48	-57.32
C[N@@H+](CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030422798	1	51	0.0	-60.75	389.09	4.47	-56.28
CC(C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300030422823	0	57	0.0	-59.85	399.44	4.24	-55.61
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCCC[NH+]1CCCC1	REAL300030422842	0	57	0.0	-66.89	433.04	5.77	-61.12
C[N@H+](CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300030422845	1	54	0.0	-67.42	419.62	6.09	-61.33
C[N@@H+](CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300030422845	1	54	0.0	-66.96	419.45	6.09	-60.87
C[NH+]1CCC(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030422860	0	51	0.0	-71.32	386.52	4.02	-67.30
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030422912	0	48	0.0	-66.37	361.38	3.01	-63.36
C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030422912	1	48	0.0	-62.25	366.40	3.39	-58.86
C[N@@H+]1CCCC1CCC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030422943	0	54	0.0	-64.83	406.57	4.86	-59.97
C[N@H+]1CCCC1CCC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030422943	1	54	0.0	-70.12	406.36	4.89	-65.23
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300030422959	0	55	0.0	-59.78	408.18	5.25	-54.53
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCC2CCCC[N@H+]21	REAL300030422959	1	55	0.0	-61.96	401.98	4.94	-57.02
CCC[N@@H+]1CCCC(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030423036	0	57	0.0	-65.26	422.07	5.24	-60.02
CCC[N@H+]1CCCC(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030423036	1	57	0.0	-63.66	425.87	5.39	-58.27
CC(C)[N@@H+]1CCOC(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030423052	1	55	0.0	-75.37	410.98	3.86	-71.51
CC(C)[N@H+]1CCOC(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030423052	1	55	0.0	-69.14	403.15	3.65	-65.49
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[NH+]1CCC(CO)CC1	REAL300030423126	0	55	0.0	-67.56	416.19	1.67	-65.89
C[NH+]1C2CCC1CC(=CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030423163	0	56	0.0	-62.78	415.88	5.65	-57.13
CC1C(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030423181	0	51	0.0	-62.34	376.11	4.15	-58.19
CC1C(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030423181	1	51	0.0	-61.92	381.26	4.28	-57.64
C[N@@H+]1CCCCC1CCC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030423185	0	57	0.0	-70.45	416.65	5.25	-65.20
C[N@H+]1CCCCC1CCC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030423185	1	57	0.0	-65.27	424.10	5.46	-59.81
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC2=C(CCC2)[NH+]=C1N	REAL300030423218	1	51	0.0	-59.49	392.15	3.74	-55.75
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030423284	0	54	0.0	-62.19	403.14	4.13	-58.06
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030423284	1	54	0.0	-60.04	404.28	4.20	-55.84
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300030423302	0	54	0.0	-61.18	416.30	2.87	-58.31
C[C@@H](C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030423307	0	47	0.0	-59.10	359.08	2.81	-56.29
C[NH+](C)CC1=CC(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)=CC=N1	REAL300030423327	1	53	0.0	-67.27	408.40	4.56	-62.71
C=CCC(C)(C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030423333	0	54	0.0	-59.18	384.68	4.38	-54.80
CC[NH+](CC)CCSCC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030423366	0	57	0.0	-69.28	445.70	5.93	-63.35
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=C(N)C2=CC=CC=C2[NH+]=C1	REAL300030423367	1	50	0.0	-64.30	389.56	3.23	-61.07
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC[NH+]1CCCC1	REAL300030423372	0	51	0.0	-65.54	390.04	4.18	-61.36
C[N@H+](CCO)CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030423381	1	48	0.0	-63.07	370.87	-0.08	-63.15
C[N@@H+](CCO)CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030423381	1	48	0.0	-64.51	370.67	-0.08	-64.59
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1C[N@@H+]2CCN1CCC2	REAL300030423419	0	54	0.0	-76.85	389.79	2.10	-74.75
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1C[N@H+]2CCN1CCC2	REAL300030423419	1	54	0.0	-63.56	390.93	2.22	-61.34
CC(C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300030423446	1	52	0.0	-63.78	399.09	4.39	-59.39
C[N@H+]1CC=C(CC(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030423490	0	52	0.0	-64.61	401.92	4.86	-59.75
C[N@@H+]1CC=C(CC(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030423490	1	52	0.0	-63.06	401.94	4.85	-58.21
C[S+](C)CCC(O)C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030423505	0	50	0.0	-76.78	404.17	1.89	-74.89
CN1CC[N@H+](C)CC(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030423544	0	56	0.0	-59.25	415.01	2.53	-56.72
CN1CC[N@@H+](C)CC(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030423544	1	56	0.0	-65.11	409.72	1.92	-63.19
CC(C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300030423545	0	55	0.0	-59.44	412.58	1.33	-58.11
CC(C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[N@H+]1CCCC(O)C1	REAL300030423545	1	55	0.0	-60.95	410.44	1.54	-59.41
C[N@@H+]1CCCC(O)(CC(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030423584	0	55	0.0	-64.91	410.14	2.87	-62.04
C[N@H+]1CCCC(O)(CC(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030423584	1	55	0.0	-65.46	400.56	2.69	-62.77
CC1C[NH+](CC(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030423590	1	48	0.0	-63.50	372.80	3.64	-59.86
CC[N@@H+]1CCCC(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030423596	0	54	0.0	-64.87	400.67	4.50	-60.37
CC[N@H+]1CCCC(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030423596	1	54	0.0	-56.61	394.48	4.66	-51.95
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1=CC=C[NH+]=C1N	REAL300030423607	0	47	0.0	-62.61	377.03	2.32	-60.29
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCC[N@@H+]1C1CC1	REAL300030423620	0	52	0.0	-59.46	394.97	4.69	-54.77
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCC[N@H+]1C1CC1	REAL300030423620	1	52	0.0	-64.39	386.86	4.19	-60.20
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C=CC[NH+]1CCCC1	REAL300030423670	0	52	0.0	-64.79	403.45	5.00	-59.79
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300030423695	0	55	0.0	-68.39	411.37	5.24	-63.15
CC[N@H+](C)CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030423740	0	47	0.0	-63.07	360.52	3.16	-59.91
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1CC2C=CC1C2	REAL300030423805	0	50	0.0	-61.23	382.42	4.34	-56.89
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@@H+]1CC2C=CC1C2	REAL300030423805	1	50	0.0	-61.33	381.80	4.45	-56.88
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@H+]1CC2C=CC1C2	REAL300030423805	1	50	0.0	-61.33	381.80	4.45	-56.88
CC1=CC=C(NCCC(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)N=C1	REAL300030423828	0	53	0.0	-61.82	421.65	3.92	-57.90
CC1=CC=C(NCCC(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)[NH+]=C1	REAL300030423828	1	53	0.0	-61.82	421.65	3.92	-57.90
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1C[NH+]2CCN1CC2	REAL300030423900	0	51	0.0	-76.19	375.17	0.66	-75.53
CC(OCC[NH+](C)C)C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030423964	0	54	0.0	-66.61	413.94	4.00	-62.61
C[NH+](C)CCOCCC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030423976	0	54	0.0	-64.66	419.57	3.31	-61.35
COCC[N@H+](C)CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030423978	1	51	0.0	-65.02	392.92	2.33	-62.69
COCC[N@@H+](C)CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030423978	1	51	0.0	-62.93	393.30	2.33	-60.60
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1C[NH+](C2CCOC2)C1	REAL300030423980	0	53	0.0	-70.90	408.94	2.86	-68.04
CC(CCC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030423985	0	53	0.0	-70.64	396.15	4.27	-66.37
C[NH+]1CCC(=CC(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030424010	0	52	0.0	-67.83	396.37	4.97	-62.86
CC[N@H+](CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030424020	0	51	0.0	-60.26	391.41	4.54	-55.72
CC[N@@H+](CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030424020	1	51	0.0	-60.77	388.91	4.52	-56.25
CC1C[N@@H+]2CCN1C(C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030424031	0	54	0.0	-77.03	391.80	1.23	-75.80
CC1C[N@H+]2CCN1C(C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030424031	1	54	0.0	-65.86	377.12	3.05	-62.81
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030424073	1	51	0.0	-65.95	407.13	3.26	-62.69
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@@H+]1CC2CCC1C2	REAL300030424081	0	52	0.0	-62.01	389.32	4.59	-57.42
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@H+]1CC2CCC1C2	REAL300030424081	1	52	0.0	-60.75	389.15	4.59	-56.16
CC(C)[NH+]1CCC(CC(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030424095	0	60	0.0	-64.68	436.65	5.84	-58.84
CC(C[NH+](C)C)C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030424109	0	50	0.0	-65.29	380.84	3.62	-61.67
C[C@H](C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030424149	0	47	0.0	-64.10	359.43	2.86	-61.24
CC[N@@H+]1CCC1C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030424161	0	48	0.0	-60.82	363.52	3.05	-57.77
CC[N@H+]1CCC1C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030424161	1	48	0.0	-60.07	366.24	3.11	-56.96
CC(C)[N@@H+]1CCCC(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030424174	0	57	0.0	-53.74	409.92	5.12	-48.62
CC(C)[N@H+]1CCCC(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030424174	1	57	0.0	-60.59	421.75	5.18	-55.41
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030424192	0	56	0.0	-59.86	403.25	2.79	-57.07
C#CC[N@H+]1CCCCC1C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030424242	1	53	0.0	-62.86	408.50	5.24	-57.62
C#CC[N@@H+]1CCCCC1C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030424242	1	53	0.0	-63.72	396.78	4.78	-58.94
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030424245	1	50	0.0	-61.36	388.37	3.63	-57.73
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=C[NH+]=CC=C1N	REAL300030424246	0	44	0.0	-68.97	346.73	0.95	-68.02
CCCC(C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030424258	0	53	0.0	-58.51	392.22	4.16	-54.35
CC(CC[NH+](C)C)C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030424286	0	53	0.0	-66.11	400.99	4.22	-61.89
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300030424344	0	58	0.0	-64.61	409.44	5.08	-59.53
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300030424344	1	58	0.0	-56.87	417.46	5.82	-51.05
COCCCC[N@H+](C)CCC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030424421	0	60	0.0	-69.90	459.47	4.33	-65.57
COCCCC[N@@H+](C)CCC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030424421	1	60	0.0	-70.09	459.50	4.34	-65.75
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030424431	0	54	0.0	-66.50	401.76	4.06	-62.44
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030424431	1	54	0.0	-64.35	405.64	4.55	-59.80
C[NH+](C)CCCCCC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030424437	0	56	0.0	-68.42	429.60	5.44	-62.98
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC[NH+]1CCC(O)CC1	REAL300030424442	0	55	0.0	-68.18	417.91	1.61	-66.57
CCC[N@@H+]1CCCCC1C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030424447	0	57	0.0	-58.51	422.82	5.44	-53.07
CCC[N@H+]1CCCCC1C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030424447	1	57	0.0	-62.41	422.58	5.44	-56.97
CC[NH+]1CCN(CCC(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030424456	0	59	0.0	-70.08	440.13	3.04	-67.04
CCN1CC[NH+](CCC(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030424456	1	59	0.0	-66.67	441.31	3.17	-63.50
C[NH+]1CCN(CC(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030424460	1	53	0.0	-63.81	401.79	1.98	-61.83
CC(C)C[NH+]1CCC(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030424584	0	60	0.0	-69.99	443.11	6.11	-63.88
CC1C[N@H+](C)CC(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030424587	1	52	0.0	-75.29	390.04	3.26	-72.03
CC1C[N@@H+](C)CC(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030424587	1	52	0.0	-73.11	389.61	2.97	-70.14
CCC1CCC[N@H+](CC(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030424623	0	57	0.0	-60.37	416.45	5.17	-55.20
CCC1CCC[N@@H+](CC(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030424623	1	57	0.0	-63.24	423.83	5.62	-57.62
C[NH+](C)CC1=CC=C(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)N1	REAL300030424633	0	52	0.0	-84.95	401.20	4.57	-80.38
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[NH+]1CC2CC2C1	REAL300030424655	0	49	0.0	-62.78	377.73	4.30	-58.48
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1([NH+]2CCCC2)CC1	REAL300030424673	0	55	0.0	-61.58	407.84	5.27	-56.31
CC([NH2+]C1(CO)CCCC1)C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030424690	0	58	0.0	-61.62	424.42	0.44	-61.18
C[N@@H+]1CCCCC1C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030424719	0	51	0.0	-57.88	383.24	4.04	-53.84
C[N@H+]1CCCCC1C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030424719	1	51	0.0	-59.88	375.16	3.77	-56.11
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300030424725	1	55	0.0	-67.39	433.81	6.45	-60.94
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[N@H+]1CC1=CC=CC=C1	REAL300030424725	1	55	0.0	-66.61	433.46	6.41	-60.20
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030424732	0	60	0.0	-56.59	435.12	6.25	-50.34
CC(C)C[N@H+]1CCCC(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030424732	1	60	0.0	-61.72	440.86	6.03	-55.69
C[NH+](C)C1CCN(CC(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030424787	0	59	0.0	-65.27	436.88	3.21	-62.06
C[N@@H+]1CCC(=CC(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030424852	0	49	0.0	-68.75	379.90	4.14	-64.61
C[N@H+]1CCC(=CC(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030424852	1	49	0.0	-68.77	379.86	4.15	-64.62
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CNC1=CC=[NH+]C=C1	REAL300030424859	0	47	0.0	-65.61	378.51	1.78	-63.83
CC[NH+]1CCN(CC(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030424921	0	56	0.0	-61.62	420.24	2.67	-58.95
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C=C1C[NH+]2CCC1CC2	REAL300030424922	0	53	0.0	-60.96	398.96	5.10	-55.86
C[N@H+](CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300030424981	0	55	0.0	-59.01	413.43	1.90	-57.11
C[N@@H+](CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300030424981	1	55	0.0	-61.71	413.41	1.90	-59.81
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1C[NH+](C2CCOCC2)C1	REAL300030424990	0	56	0.0	-71.21	425.89	3.48	-67.73
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030425005	0	48	0.0	-59.72	363.88	3.26	-56.46
C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030425005	1	48	0.0	-58.50	361.42	3.01	-55.49
CCN1CCOCC1CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030425043	0	55	0.0	-68.91	411.16	3.00	-65.91
CC[N@@H+]1CCOCC1CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030425043	1	55	0.0	-66.96	410.85	3.03	-63.93
CC[N@H+]1CCOCC1CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030425043	1	55	0.0	-66.96	410.85	3.03	-63.93
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1C[NH+](C2CCCCC2)C1	REAL300030425069	0	58	0.0	-68.79	434.64	5.84	-62.95
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C2NC(N)=NC2=C1	REAL300030425145	0	48	0.0	-69.88	379.18	3.76	-66.12
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C2NC(N)=[NH+]C2=C1	REAL300030425145	1	48	0.0	-69.88	379.18	3.76	-66.12
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030425190	0	51	0.0	-61.13	392.12	4.22	-56.91
CC1CCCC(C)[NH+]1CCC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030425202	0	60	0.0	-61.44	436.70	5.66	-55.78
C[NH+](C)C1CCC(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030425205	0	57	0.0	-72.69	421.08	5.19	-67.50
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030425209	0	57	0.0	-67.23	411.49	4.99	-62.24
C[N@@H+]1CC=CCC1CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030425210	0	52	0.0	-53.87	388.94	4.52	-49.35
C[N@H+]1CC=CCC1CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030425210	1	52	0.0	-60.81	388.94	4.52	-56.29
CC1=CC(C=CC(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)=C[NH+]=C1N	REAL300030425272	1	51	0.0	-66.40	407.78	3.68	-62.72
C[NH+](C)CCOCC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030425287	0	51	0.0	-67.24	399.06	3.57	-63.67
CCCCC[N@H+](C)CCC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030425294	0	59	0.0	-67.05	447.30	6.04	-61.01
CCCCC[N@@H+](C)CCC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030425294	1	59	0.0	-67.38	447.32	6.05	-61.33
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030425306	0	55	0.0	-67.58	418.22	4.54	-63.04
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1C=CSC1=[NH2+]	REAL300030425332	0	44	0.0	-56.73	370.03	2.70	-54.03
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030425411	0	54	0.0	-67.03	413.98	3.94	-63.09
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC[NH+]1CCCCCC1	REAL300030425469	0	57	0.0	-66.00	416.74	5.14	-60.86
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[NH+]1CCCCC1	REAL300030425473	0	51	0.0	-62.91	384.45	4.36	-58.55
C[N@@H+]1CCCC(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030425475	0	51	0.0	-59.38	377.76	4.18	-55.20
C[N@H+]1CCCC(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030425475	1	51	0.0	-64.81	386.58	3.97	-60.84
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[NH+]1CCC(CO)CC1	REAL300030425477	0	55	0.0	-67.56	416.19	1.67	-65.89
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[NH+]1CCCCCC1	REAL300030425483	0	54	0.0	-64.02	393.81	4.55	-59.47
CN1C=C[N+](CC(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030425490	0	46	0.0	-62.85	374.02	6.01	-56.84
C[NH+](C)CC1=CC=C(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030425508	1	51	0.0	-74.17	404.04	4.33	-69.84
C[NH+](C)CC1=CC=C(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C=N1	REAL300030425516	0	53	0.0	-77.05	408.48	4.05	-73.00
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[NH+]1CCC(O)CC1	REAL300030425530	0	52	0.0	-67.95	395.62	1.01	-66.94
C[N@H+](CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030425537	0	48	0.0	-60.87	372.09	3.92	-56.95
C[N@@H+](CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030425537	1	48	0.0	-60.61	372.21	3.92	-56.69
CC(C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300030425539	1	56	0.0	-63.05	409.45	2.00	-61.05
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC[N@@H+]1CCC(F)C1	REAL300030425544	0	51	0.0	-69.75	396.83	4.26	-65.49
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC[N@H+]1CCC(F)C1	REAL300030425544	1	51	0.0	-71.14	396.89	4.33	-66.81
CC(CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030425579	0	53	0.0	-67.98	399.95	4.51	-63.47
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[N@@H+]2CCOCC12	REAL300030425599	0	53	0.0	-70.84	398.39	2.67	-68.17
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[N@H+]2CCOCC12	REAL300030425599	1	53	0.0	-61.01	393.61	2.92	-58.09
CC1=[NH+]C=C2C=CC(C(=O)N3CCC[C@]3(C)CNC(=O)C3=CC(=O)[N-]O3)=CN21	REAL300030425607	0	49	0.0	-65.96	385.80	5.74	-60.22
C[N@@H+]1CCOCC1CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030425628	1	52	0.0	-71.76	393.70	2.35	-69.41
C[N@H+]1CCOCC1CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030425628	1	52	0.0	-64.16	385.86	2.19	-61.97
CC[NH+]1CCN(CC(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030425639	0	56	0.0	-61.62	420.24	2.67	-58.95
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030425693	1	47	0.0	-69.17	367.92	2.26	-66.91
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCC1=CC=C(N)[NH+]=C1	REAL300030425696	0	50	0.0	-63.08	401.72	3.02	-60.06
CC1(O)CC[N@H+](CC(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030425750	0	52	0.0	-61.55	398.78	0.93	-60.62
CC1(O)CC[N@@H+](CC(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030425750	1	52	0.0	-62.32	398.97	0.90	-61.42
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030425760	0	54	0.0	-56.26	413.27	4.15	-52.11
C[NH+]1CC(CC(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030425791	0	48	0.0	-67.48	373.78	3.26	-64.22
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[N@@H+]1C1CCCC1	REAL300030425797	0	55	0.0	-64.19	405.10	5.40	-58.79
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[N@H+]1C1CCCC1	REAL300030425797	1	55	0.0	-61.90	406.70	4.91	-56.99
C[NH+](C)CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030425807	0	44	0.0	-63.82	342.89	2.51	-61.31
C[N@H+](CCO)CCC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030425848	0	51	0.0	-66.71	393.18	0.52	-66.19
C[N@@H+](CCO)CCC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030425848	1	51	0.0	-64.37	393.14	0.50	-63.87
C[C@@H](C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030425849	0	47	0.0	-59.10	359.08	2.81	-56.29
C[N@@H+]1CCCCC1CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030425869	0	54	0.0	-53.34	394.48	4.59	-48.75
C[N@H+]1CCCCC1CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030425869	1	54	0.0	-65.98	401.70	4.71	-61.27
CC1=C2C=C(C(=O)N3CCC[C@]3(C)CNC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030425895	1	49	0.0	-74.44	386.46	6.58	-67.86
CC(C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300030425896	0	51	0.0	-61.56	387.05	3.82	-57.74
CC1CC[N@@H+]1CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030425901	0	48	0.0	-61.64	368.47	3.30	-58.34
CC1CC[N@H+]1CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030425901	1	48	0.0	-61.19	368.51	3.30	-57.89
C[NH+](C)CC=CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030425916	0	48	0.0	-65.91	378.51	3.89	-62.02
CC1(C)C[NH+](CC(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030425930	1	51	0.0	-63.29	393.34	4.11	-59.18
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCCC[NH+]1CCCCC1	REAL300030425944	0	60	0.0	-66.71	449.73	6.54	-60.17
CC1=C(C)[NH+]=C(CCC(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)N1	REAL300030425957	1	52	0.0	-59.87	413.90	3.85	-56.02
C[NH+]1CCC(C2(C(=O)N3CCC[C@]3(C)CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030425967	0	58	0.0	-51.86	427.54	5.69	-46.17
CC1=C2C=C(C(=O)N3CCC[C@]3(C)CNC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030425976	1	49	0.0	-74.44	386.46	6.58	-67.86
C[NH+](C)CCSCC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030425986	0	51	0.0	-71.86	410.41	4.58	-67.28
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC2=C(CCCC2)[NH+]=C1N	REAL300030426008	1	54	0.0	-59.30	409.33	4.32	-54.98
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@@H+]1CCCC1CO	REAL300030426016	0	52	0.0	-62.62	392.34	0.55	-62.07
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@H+]1CCCC1CO	REAL300030426016	1	52	0.0	-61.41	396.92	0.97	-60.44
CC[NH+](CC)CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030426019	0	50	0.0	-62.14	378.45	3.83	-58.31
C[N@H+](CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300030426032	0	52	0.0	-71.00	402.32	4.75	-66.25
C[N@@H+](CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300030426032	1	52	0.0	-67.42	402.13	4.73	-62.69
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[NH+]1CCC1	REAL300030426034	1	45	0.0	-64.01	353.10	2.96	-61.05
CC[NH+](CC)CCC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030426079	0	53	0.0	-64.52	396.16	4.16	-60.36
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[NH+]1CCC(C(N)=O)CC1	REAL300030426101	0	55	0.0	-70.38	420.43	1.04	-69.34
C[NH+](C)CC1=CNC(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030426147	0	52	0.0	-75.05	400.97	4.46	-70.59
CC(C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300030426167	0	55	0.0	-64.08	404.69	1.09	-62.99
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC2COCC[N@@H+]2C1	REAL300030426173	0	53	0.0	-66.69	397.40	2.67	-64.02
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC2COCC[N@H+]2C1	REAL300030426173	1	53	0.0	-67.11	398.43	2.67	-64.44
CC(C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030426189	0	48	0.0	-60.62	371.11	3.35	-57.27
CCC(CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030426199	0	56	0.0	-65.85	413.99	5.02	-60.83
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C=CC1=CC=C(N)[NH+]=C1	REAL300030426206	0	48	0.0	-69.75	389.53	2.80	-66.95
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030426271	0	51	0.0	-64.67	371.61	3.59	-61.08
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030426271	1	51	0.0	-63.52	383.23	4.05	-59.47
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030426285	0	54	0.0	-60.60	392.59	1.19	-59.41
CC1CN2CC[N@H+]1CC2C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030426285	1	54	0.0	-73.25	391.69	1.14	-72.11
C[NH+](C)CC(O)CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030426310	0	51	0.0	-69.81	395.57	1.49	-68.32
C[NH+]1C2CCC1CC(C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030426313	0	55	0.0	-57.64	361.03	4.85	-52.79
C=CCC(C(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030426359	0	51	0.0	-65.63	388.14	4.07	-61.56
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC2CCCC[N@@H+]2C1	REAL300030426369	0	55	0.0	-60.86	408.21	5.13	-55.73
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC2CCCC[N@H+]2C1	REAL300030426369	1	55	0.0	-69.95	405.88	4.99	-64.96
C[NH+]1CCC(O)(CC(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030426385	0	55	0.0	-69.15	412.91	2.73	-66.42
COCC[N@@H+]1CCCC1CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030426400	0	58	0.0	-57.42	433.68	4.35	-53.07
COCC[N@H+]1CCCC1CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030426400	1	58	0.0	-61.67	441.54	3.97	-57.70
C[NH+]1C2CCC1CC(CC(=O)N1CCC[C@]1(C)CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030426409	0	58	0.0	-66.74	421.45	5.45	-61.29
C[NH+](C)CCN1N=CC=C1C(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030426447	0	54	0.0	-57.12	395.77	4.62	-52.50
C[NH+]1CCC(C2(C(=O)NC[C@@]3(C)CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030426494	0	58	0.0	-66.77	427.89	6.17	-60.60
CC1=C2C=C(C(=O)NC[C@@]3(C)CCCN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030426506	1	49	0.0	-71.37	392.37	6.60	-64.77
C[NH+](C)CCSCC(=O)NC[C@@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030426517	0	51	0.0	-73.21	407.40	4.49	-68.72
C[C@]1(CNC(=O)C2CC3COCC[N@@H+]3C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030426529	0	53	0.0	-68.27	399.32	2.77	-65.50
C[C@]1(CNC(=O)C2CC3COCC[N@H+]3C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030426529	1	53	0.0	-63.72	398.84	2.81	-60.91
C[N@@H+]1CCCC1C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030426693	0	49	0.0	-64.23	356.18	2.68	-61.55
C[N@H+]1CCCC1C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030426693	1	49	0.0	-70.90	365.36	2.93	-67.97
CC(C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+]1CCCCCC1	REAL300030426882	0	58	0.0	-66.92	407.49	4.70	-62.22
CC(C)[N@@H+]1CCCC1C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030426901	0	55	0.0	-62.69	401.74	4.43	-58.26
CC(C)[N@H+]1CCCC1C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030426901	1	55	0.0	-69.06	392.99	4.29	-64.77
O=C(NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC2CCCC[N@@H+]2C1	REAL300030426915	0	56	0.0	-67.78	414.87	5.12	-62.66
O=C(NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC2CCCC[N@H+]2C1	REAL300030426915	1	56	0.0	-68.20	410.23	5.00	-63.20
CC(C)C1=[NH+]C=CN1CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030426935	1	53	0.0	-65.32	404.25	4.83	-60.49
CC1=[NH+]C=CN1CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030426965	1	47	0.0	-66.60	368.03	3.72	-62.88
CC(C[NH+]1CCOCC1)C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030426967	1	56	0.0	-72.21	410.49	2.88	-69.33
O=C(CCC[NH+]1CCCCC1)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030426981	0	58	0.0	-67.63	425.35	5.46	-62.17
O=C(NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1C[NH+]2CCC1CC2	REAL300030427007	0	53	0.0	-75.09	384.18	4.07	-71.02
O=C(NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CCCC2CCC[N@@H+]21	REAL300030427048	0	56	0.0	-64.61	408.84	5.11	-59.50
O=C(NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CCCC2CCC[N@H+]21	REAL300030427048	1	56	0.0	-63.43	410.46	5.22	-58.21
C[C@@H]1[C@H](C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC[N@@H+]1C	REAL300030427062	0	52	0.0	-68.33	379.50	3.31	-65.02
C[C@@H]1[C@H](C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC[N@H+]1C	REAL300030427062	1	52	0.0	-74.44	388.09	3.65	-70.79
CC[C@@H]1[C@@H](C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC[N@@H+]1C	REAL300030427066	0	55	0.0	-73.36	399.13	4.05	-69.31
CC[C@@H]1[C@@H](C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC[N@H+]1C	REAL300030427066	1	55	0.0	-72.44	407.39	4.37	-68.07
CC[N@@H+]1CCOC(C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030427078	1	53	0.0	-73.15	386.68	2.93	-70.22
CC[N@H+]1CCOC(C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030427078	1	53	0.0	-78.23	393.48	3.06	-75.17
CC[NH+](CC)CC(F)C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030427114	0	54	0.0	-71.76	396.59	3.78	-67.98
CC1CCC(C)[NH+]1CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030427175	0	55	0.0	-68.13	395.85	4.17	-63.96
O=C(CCC[NH+]1CCCC1)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030427181	0	55	0.0	-69.71	408.78	4.70	-65.01
C[NH+](C)CC1=CC=CC(C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)=C1	REAL300030427182	0	55	0.0	-67.80	416.63	5.59	-62.21
C#CC[NH+]1CCC(C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300030427186	0	54	0.0	-74.71	408.36	4.99	-69.72
O=C(CC[NH+]1CCCCC1)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030427187	0	55	0.0	-67.90	403.38	4.63	-63.27
CC(C)C[N@@H+]1CCC(C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030427209	0	58	0.0	-70.98	429.66	5.37	-65.61
CC(C)C[N@H+]1CCC(C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030427209	1	58	0.0	-71.97	427.72	5.24	-66.73
CC(C)[N@@H+]1CCCC1CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030427214	0	58	0.0	-69.80	411.42	4.42	-65.38
CC(C)[N@H+]1CCCC1CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030427214	1	58	0.0	-70.17	415.92	4.83	-65.34
C[N@H+](CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CCC1	REAL300030427266	0	52	0.0	-69.45	384.82	4.09	-65.36
C[N@@H+](CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CCC1	REAL300030427266	1	52	0.0	-69.34	385.06	4.16	-65.18
CC(C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+]1C(C)CCC1C	REAL300030427315	0	58	0.0	-65.61	409.54	4.60	-61.01
CN(CCC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=CC=[NH+]C=C1	REAL300030427364	0	54	0.0	-67.32	414.58	3.89	-63.43
C[N@@H+]1CCCC1CCC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030427377	0	55	0.0	-75.12	411.01	4.86	-70.26
C[N@H+]1CCCC1CCC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030427377	1	55	0.0	-69.26	405.37	4.36	-64.90
O=C(NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CCC2CCCC[N@@H+]21	REAL300030427391	0	56	0.0	-65.42	406.66	5.14	-60.28
O=C(NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CCC2CCCC[N@H+]21	REAL300030427391	1	56	0.0	-64.74	412.95	5.23	-59.51
O=C(CCCC[NH+]1CCCC1)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030427409	0	58	0.0	-70.15	430.27	5.48	-64.67
C[N@H+](CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)CC1=CC=CC=C1	REAL300030427411	1	55	0.0	-76.92	415.26	5.70	-71.22
C[N@@H+](CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)CC1=CC=CC=C1	REAL300030427411	1	55	0.0	-72.64	416.50	5.83	-66.81
C[NH+]1CCC(C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300030427422	0	52	0.0	-73.92	383.69	3.83	-70.09
C[NH+](C)CC1=CC(C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)=NO1	REAL300030427451	1	51	0.0	-75.89	398.04	3.20	-72.69
CC1=C(C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C=CC2=C[NH+]=CN21	REAL300030427452	0	50	0.0	-72.09	389.55	5.84	-66.25
O=C(NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=CN2C=[NH+]C=C2C=C1	REAL300030427584	0	47	0.0	-71.18	377.65	5.92	-65.26
CC1=[NH+]C=CN1CCCC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030427593	1	53	0.0	-66.33	409.91	5.07	-61.26
C[NH+](C)CC1=CC=C(C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C=C1	REAL300030427598	0	55	0.0	-79.91	416.72	5.59	-74.32
O=C(CC[NH+]1CCOCC1)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030427599	1	53	0.0	-71.55	395.12	2.23	-69.32
CC1=C[NH+]=CN1CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030427624	1	47	0.0	-67.40	368.56	4.53	-62.87
O=C(CN1C=[NH+]C2=C1CCCC2)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030427630	1	54	0.0	-69.32	410.54	6.24	-63.08
C[NH+](C)C1CCCC(C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030427683	0	58	0.0	-63.22	411.11	4.77	-58.45
C[N@@H+]1CCC(CC(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030427686	0	52	0.0	-70.68	385.64	3.73	-66.95
C[N@H+]1CCC(CC(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030427686	1	52	0.0	-73.25	389.30	3.95	-69.30
CCC(C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300030427701	0	51	0.0	-63.89	367.28	3.34	-60.55
C[NH+](C)C1(CC(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CCCC1	REAL300030427714	0	58	0.0	-74.36	402.77	4.60	-69.76
O=C(NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=CC2=C[NH+]=CN2C=C1	REAL300030427747	1	47	0.0	-75.70	369.35	5.69	-70.01
C[NH+](C)CCCCC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030427795	0	54	0.0	-71.60	404.31	4.31	-67.29
CCC[N@H+](C)CCC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030427813	0	54	0.0	-72.41	400.53	4.12	-68.29
CCC[N@@H+](C)CCC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030427813	1	54	0.0	-72.45	400.54	4.13	-68.32
CCC[N@H+](C)CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030427817	0	51	0.0	-71.66	377.83	3.51	-68.15
CCC[N@@H+](C)CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030427817	1	51	0.0	-71.21	378.17	3.59	-67.62
O=C(NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C12CC[N@H+](C1)CCC2	REAL300030427835	0	53	0.0	-71.85	384.08	3.53	-68.32
O=C(NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C12CC[N@@H+](C1)CCC2	REAL300030427835	1	53	0.0	-69.76	385.80	3.49	-66.27
C[N@@H+]1CCC[C@@H]1C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030427870	0	49	0.0	-66.74	365.43	2.86	-63.88
C[N@H+]1CCC[C@@H]1C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030427870	1	49	0.0	-63.62	364.80	3.15	-60.47
CCCCCC[N@H+](C)CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030427920	0	60	0.0	-72.53	442.67	5.94	-66.59
CCCCCC[N@@H+](C)CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030427920	1	60	0.0	-72.94	442.33	5.87	-67.07
CC[NH+](CC)CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030427932	0	51	0.0	-69.71	370.42	3.25	-66.46
CCC[N@@H+]1CCCC(C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030427958	0	58	0.0	-66.02	422.05	5.12	-60.90
CCC[N@H+]1CCCC(C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030427958	1	58	0.0	-69.49	429.21	5.31	-64.18
CC(C)[N@@H+]1CCOC(C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030427971	1	56	0.0	-75.70	412.30	3.82	-71.88
CC(C)[N@H+]1CCOC(C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030427971	1	56	0.0	-81.15	414.97	3.89	-77.26
CC1CC[NH+](CC(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300030428001	0	55	0.0	-68.20	402.48	4.61	-63.59
C[NH+]1CCC(OCC(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300030428023	0	56	0.0	-75.67	418.89	4.14	-71.53
C[NH+](C)CC1(C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300030428036	0	52	0.0	-76.70	387.66	4.14	-72.56
CC1=[NH+]C=C2CCC(C(=O)NC34CC3CCN(C(=O)C3=CC(=O)[N-]O3)CC4)CN21	REAL300030428037	1	54	0.0	-64.75	406.43	4.90	-59.85
CC(C)[NH+]1CCC(C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300030428101	0	58	0.0	-71.23	414.35	4.78	-66.45
C[NH+]1CCC(C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300030428118	0	52	0.0	-73.92	383.69	3.83	-70.09
CCC(C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](CC)CC	REAL300030428148	0	57	0.0	-61.83	402.38	4.28	-57.55
CC[N@H+](C)CCC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030428205	0	51	0.0	-71.62	379.04	3.38	-68.24
CC[N@@H+](C)CCC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030428205	1	51	0.0	-68.46	379.94	3.44	-65.02
CC1CCC[N@@H+]1CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030428250	0	52	0.0	-64.77	378.52	3.60	-61.17
CC1CCC[N@H+]1CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030428250	1	52	0.0	-69.22	384.67	3.77	-65.45
CC1CC[N@H+](CC(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030428252	0	52	0.0	-69.10	393.58	4.14	-64.96
CC1CC[N@@H+](CC(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030428252	1	52	0.0	-71.32	391.04	4.04	-67.28
CC1=[NH+]C=C2CC(C(=O)NC34CC3CCN(C(=O)C3=CC(=O)[N-]O3)CC4)CCN21	REAL300030428253	1	54	0.0	-69.75	408.20	4.85	-64.90
CC1(C)CC[N@H+](CC(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030428256	0	55	0.0	-71.32	403.97	4.40	-66.92
CC1(C)CC[N@@H+](CC(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030428256	1	55	0.0	-71.77	411.13	4.63	-67.14
C[N@H+](CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)CC(C)(C)C	REAL300030428257	0	57	0.0	-72.06	405.90	4.51	-67.55
C[N@@H+](CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)CC(C)(C)C	REAL300030428257	1	57	0.0	-71.10	408.89	4.69	-66.41
CC[C@@H](C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300030428264	0	51	0.0	-68.14	369.55	3.18	-64.96
C[NH+]1CCC(O)(CC(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300030428419	0	56	0.0	-71.45	409.13	2.27	-69.18
C[NH+](C)CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030428429	0	45	0.0	-71.34	338.94	2.17	-69.17
O=C(C[NH+]1CCC(CO)CC1)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030428432	0	56	0.0	-69.28	413.31	1.31	-67.97
O=C(C[NH+]1CCCCCC1)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030428434	0	55	0.0	-66.95	390.92	4.28	-62.67
CN1C=C[N+](CC(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)=C1	REAL300030428438	0	47	0.0	-66.72	370.17	5.69	-61.03
C[N@@H+]1CCCC(C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030428444	0	52	0.0	-64.98	384.41	4.18	-60.80
C[N@H+]1CCCC(C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030428444	1	52	0.0	-64.44	376.96	4.00	-60.44
O=C(NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CCC[N@@H+]1C1CC1	REAL300030428448	0	53	0.0	-66.66	403.19	4.82	-61.84
O=C(NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CCC[N@H+]1C1CC1	REAL300030428448	1	53	0.0	-65.20	397.74	4.65	-60.55
CC(C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+]1CCC1	REAL300030428472	1	49	0.0	-68.29	367.30	3.26	-65.03
CCC(CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C[NH+](C)C	REAL300030428478	0	57	0.0	-71.09	409.43	4.64	-66.45
O=C(C[NH+]1CCC(O)CC1)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030428507	1	53	0.0	-76.60	391.89	0.68	-75.92
C[N@H+](CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300030428508	0	49	0.0	-67.95	368.21	3.58	-64.37
C[N@@H+](CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300030428508	1	49	0.0	-68.70	368.35	3.59	-65.11
CC(C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)N1CC[NH+](C)CC1	REAL300030428509	1	57	0.0	-67.99	409.74	1.98	-66.01
C[NH+]1CC(CC(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030428525	0	49	0.0	-70.80	370.39	2.99	-67.81
O=C(NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC[N@@H+]1C1CCCC1	REAL300030428529	0	56	0.0	-72.60	417.98	5.35	-67.25
O=C(NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC[N@H+]1C1CCCC1	REAL300030428529	1	56	0.0	-71.09	409.40	4.97	-66.12
CC(C)(C)[N@@H+]1CCC1C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030428536	0	55	0.0	-65.10	382.76	3.51	-61.59
CC(C)(C)[N@H+]1CCC1C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030428536	1	55	0.0	-66.84	383.17	3.67	-63.17
C[C@@H](C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300030428547	0	48	0.0	-69.07	356.06	2.56	-66.51
CCC1CCC[N@H+](CC(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030428582	0	58	0.0	-70.76	427.93	5.50	-65.26
CCC1CCC[N@@H+](CC(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030428582	1	58	0.0	-71.91	413.68	5.31	-66.60
C[NH+](C)CC1=CC=C(C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)N1	REAL300030428589	0	53	0.0	-80.26	414.10	3.83	-76.43
[NH2+]=C1SC=CN1CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030428626	0	45	0.0	-66.96	365.67	2.28	-64.68
C[N@H+](CCO)CCC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030428634	0	52	0.0	-71.10	389.39	0.16	-70.94
C[N@@H+](CCO)CCC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030428634	1	52	0.0	-68.12	390.16	0.20	-67.92
C[C@@H](C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300030428635	0	48	0.0	-69.07	356.06	2.56	-66.51
C[N@@H+]1CCCC[C@@H]1C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030428639	0	52	0.0	-68.91	379.88	3.80	-65.11
C[N@H+]1CCCC[C@@H]1C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030428639	1	52	0.0	-67.90	387.31	3.91	-63.99
CC1CN2CC[N@@H+]1CC2C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030428646	0	55	0.0	-77.99	397.01	1.18	-76.81
CC1CN2CC[N@H+]1CC2C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030428646	1	55	0.0	-77.15	397.92	1.25	-75.90
O=C(CC1=CC2=C[NH+]=CN2C=C1)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030428689	0	50	0.0	-66.70	393.01	6.29	-60.41
C[N@H+](CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CCSC1	REAL300030428711	0	53	0.0	-77.38	398.09	4.34	-73.04
C[N@@H+](CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CCSC1	REAL300030428711	1	53	0.0	-76.16	398.21	4.43	-71.73
O=C(C[NH+]1CCC1)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030428712	1	46	0.0	-69.62	357.56	2.82	-66.80
C[NH+](C)CC1=CC(C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)=CC=N1	REAL300030428737	1	54	0.0	-69.29	421.62	4.43	-64.86
C[N@@H+]1CCC(=CC(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030428738	0	50	0.0	-72.27	377.59	3.73	-68.54
C[N@H+]1CCC(=CC(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030428738	1	50	0.0	-72.95	381.59	3.87	-69.08
C[NH+](C)CCOCC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030428766	0	52	0.0	-67.53	394.81	3.08	-64.45
CCCCC[N@H+](C)CCC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030428772	0	60	0.0	-70.28	444.44	5.73	-64.55
CCCCC[N@@H+](C)CCC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030428772	1	60	0.0	-73.31	443.54	5.67	-67.64
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)O1	REAL300030428780	0	56	0.0	-70.97	426.32	4.32	-66.65
C=CCC(C)(C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300030428787	0	55	0.0	-66.38	397.40	4.36	-62.02
C[S+](C)CCC(O)C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030428792	0	51	0.0	-74.93	404.01	1.68	-73.25
CN1CC[N@H+](C)CC(C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030428825	0	57	0.0	-69.40	414.91	2.43	-66.97
CN1CC[N@@H+](C)CC(C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030428825	1	57	0.0	-69.40	414.91	2.43	-66.97
CC(C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[N@@H+]1CCCC(O)C1	REAL300030428826	0	56	0.0	-68.12	412.66	1.48	-66.64
C[N@@H+]1CCCC(O)(CC(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030428845	0	56	0.0	-65.56	414.79	2.55	-63.01
C[N@H+]1CCCC(O)(CC(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030428845	1	56	0.0	-65.56	414.79	2.55	-63.01
CC1C[NH+](CC(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030428848	1	49	0.0	-71.61	369.02	3.33	-68.28
C[N@H+](CCO)CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030428873	1	49	0.0	-71.87	366.68	-0.47	-72.34
C[N@@H+](CCO)CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030428873	1	49	0.0	-71.15	367.11	-0.39	-71.54
O=C(NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1C[N@@H+]2CCN1CCC2	REAL300030428893	0	55	0.0	-81.15	391.52	2.18	-78.97
O=C(NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1C[N@H+]2CCN1CCC2	REAL300030428893	1	55	0.0	-80.25	391.74	1.67	-78.58
CC[N@@H+]1CCCC(C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030428897	0	55	0.0	-70.82	406.75	4.66	-66.16
CC[N@H+]1CCCC(C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030428897	1	55	0.0	-61.18	394.48	4.58	-56.60
CC(CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C[NH+](C)C	REAL300030428899	0	54	0.0	-71.27	396.13	4.16	-67.11
CC[N@H+](C)CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030428911	0	48	0.0	-67.62	357.58	2.90	-64.72
CC[N@@H+](C)CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030428911	1	48	0.0	-71.29	356.33	2.77	-68.52
CC[N@H+](CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300030428958	0	52	0.0	-67.58	387.54	4.20	-63.38
CC[N@@H+](CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300030428958	1	52	0.0	-68.75	385.14	4.18	-64.57
CC[NH+](CC)CCC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030428973	0	54	0.0	-67.49	392.99	3.79	-63.70
C[NH+]1CCC(=CC(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300030428985	0	53	0.0	-67.95	392.38	4.40	-63.55
CC1(C)C[NH+](CC(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030428996	1	52	0.0	-71.89	389.21	3.72	-68.17
CC1(O)CC[N@H+](CC(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030429019	0	53	0.0	-71.12	401.97	0.68	-70.44
CC1(O)CC[N@@H+](CC(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030429019	1	53	0.0	-72.54	402.25	0.69	-71.85
C[NH+](C)CC=CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030429025	0	49	0.0	-73.76	374.87	3.40	-70.36
CC(OCC[NH+](C)C)C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030429042	0	55	0.0	-68.80	414.86	3.78	-65.02
C[NH+](C)CCOCCC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030429051	0	55	0.0	-70.49	415.77	2.96	-67.53
COCC[N@H+](C)CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030429052	1	52	0.0	-70.88	389.36	2.02	-68.86
COCC[N@@H+](C)CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030429052	1	52	0.0	-72.31	388.94	1.93	-70.38
CC(CCC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300030429085	0	54	0.0	-73.80	392.53	3.88	-69.92
CC[N@@H+]1CCC1C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030429094	1	49	0.0	-70.10	370.64	3.17	-66.93
CC[N@H+]1CCC1C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030429094	1	49	0.0	-69.38	370.44	2.92	-66.46
CC(C)[N@@H+]1CCCC(C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030429103	0	58	0.0	-68.02	418.11	4.99	-63.03
CC(C)[N@H+]1CCCC(C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030429103	1	58	0.0	-62.85	415.80	5.32	-57.53
O=C(C[N@H+]1CCCC1CO)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030429115	0	53	0.0	-70.88	393.77	0.69	-70.19
O=C(C[N@@H+]1CCCC1CO)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030429115	1	53	0.0	-69.39	392.36	0.42	-68.97
O=C(NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC2CCCC[N@@H+]2C1	REAL300030429134	0	56	0.0	-67.78	414.87	5.12	-62.66
O=C(NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC2CCCC[N@H+]2C1	REAL300030429134	1	56	0.0	-68.20	410.23	5.00	-63.20
C[NH+](C)CC1=CNC(C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)=C1	REAL300030429141	0	53	0.0	-75.14	404.81	3.37	-71.77
CC(C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+]1CCC(O)CC1	REAL300030429153	0	56	0.0	-72.09	408.81	1.12	-70.97
C=CCC(C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300030429161	0	52	0.0	-69.25	384.78	3.81	-65.44
C[N@@H+]1CC(C)(C)CC1C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030429168	0	55	0.0	-68.29	412.01	4.54	-63.75
C[N@H+]1CC(C)(C)CC1C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030429168	1	55	0.0	-71.90	399.52	3.96	-67.94
C[NH+](C)CCCCCC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030429172	0	57	0.0	-70.63	425.80	5.08	-65.55
O=C(C[NH+]1CC2CC2C1)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030429180	0	50	0.0	-72.26	373.93	3.98	-68.28
CC1C[N@@H+]2CCN1C(C(=O)NC13CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC3)C2	REAL300030429206	0	55	0.0	-69.59	392.89	1.21	-68.38
CC1C[N@H+]2CCN1C(C(=O)NC13CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC3)C2	REAL300030429206	1	55	0.0	-80.62	391.39	1.18	-79.44
CCCC(C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300030429207	0	54	0.0	-65.40	394.73	4.10	-61.30
C[N@@H+]1CCCCC1C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030429245	0	52	0.0	-66.86	380.02	3.73	-63.13
C[N@H+]1CCCCC1C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030429245	1	52	0.0	-68.07	380.34	3.75	-64.32
C[N@H+]1CC=C(CC(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300030429281	0	53	0.0	-70.40	404.37	4.63	-65.77
C[N@@H+]1CC=C(CC(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300030429281	1	53	0.0	-64.37	401.95	4.67	-59.70
O=C(CC1([NH+]2CCCC2)CC1)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030429288	0	56	0.0	-68.43	412.18	5.05	-63.38
C[NH+](C)CC1=CC=C(C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)O1	REAL300030429331	1	52	0.0	-79.58	403.11	3.91	-75.67
C[NH+](C)CC1=CC=C(C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C=N1	REAL300030429335	0	54	0.0	-75.81	412.85	4.18	-71.63
O=C(C=CC[NH+]1CCCC1)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030429346	0	53	0.0	-72.66	401.21	4.60	-68.06
O=C(NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC[NH+](C2CC2)CC1	REAL300030429367	0	56	0.0	-72.82	408.26	4.96	-67.86
O=C(CC[NH+]1CCCC1)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030429383	0	52	0.0	-71.18	387.28	3.89	-67.29
O=C(NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1C[NH+]2CCN1CC2	REAL300030429415	0	52	0.0	-76.33	379.26	0.74	-75.59
O=C(C[N@@H+]1CC2CCC1C2)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030429435	0	53	0.0	-69.96	389.71	4.30	-65.66
O=C(C[N@H+]1CC2CCC1C2)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030429435	1	53	0.0	-66.29	386.41	4.33	-61.96
O=C(C=C1C[NH+]2CCC1CC2)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030429472	0	54	0.0	-63.91	395.05	4.56	-59.35
O=C(C[N@@H+]1CC2C=CC1C2)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030429480	1	51	0.0	-68.09	382.43	4.25	-63.84
O=C(C[N@H+]1CC2C=CC1C2)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030429480	1	51	0.0	-68.65	386.48	4.38	-64.27
CC[NH+]1CCN(CC(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300030429504	0	57	0.0	-67.28	414.86	2.25	-65.03
CC(C[NH+](C)C)C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030429519	0	51	0.0	-71.34	377.51	3.44	-67.90
C[N@@H+]1CCCCC1CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030429587	0	55	0.0	-72.39	401.90	4.56	-67.83
C[N@H+]1CCCCC1CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030429587	1	55	0.0	-72.51	404.55	4.52	-67.99
CC1=C2C=C(C(=O)NC34CC3CCN(C(=O)C3=CC(=O)[N-]O3)CC4)C=CN2C=[NH+]1	REAL300030429600	1	50	0.0	-73.95	399.83	6.48	-67.47
CC(C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+]1CC(C)C1	REAL300030429601	1	52	0.0	-65.10	387.87	3.78	-61.32
CC1CC[N@@H+]1CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030429604	1	49	0.0	-70.44	370.00	3.21	-67.23
CC1CC[N@H+]1CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030429604	1	49	0.0	-67.13	369.99	3.20	-63.93
C[NH+](C)CC(O)CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030429608	0	52	0.0	-74.01	391.63	1.07	-72.94
CC1C[N@H+](C)CC(C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)O1	REAL300030429631	1	53	0.0	-82.72	390.33	2.80	-79.92
CC1C[N@@H+](C)CC(C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)O1	REAL300030429631	1	53	0.0	-82.63	402.31	3.42	-79.21
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CC(CC[NH+](C)C)C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030429721	0	54	0.0	-70.30	399.15	4.07	-66.23
C[N@H+](CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[C@@H]1CCC[C@H]1O	REAL300030429738	0	56	0.0	-65.27	415.75	1.69	-63.58
C[N@@H+](CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[C@@H]1CCC[C@H]1O	REAL300030429738	1	56	0.0	-66.65	410.49	1.33	-65.32
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C#CC[N@@H+]1CCCCC1C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030429745	1	54	0.0	-64.40	412.48	5.08	-59.32
C[NH+]1CCN(CC(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300030429748	1	54	0.0	-67.98	397.62	1.61	-66.37
CC[NH+]1CCN(CC(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC1	REAL300030429757	0	57	0.0	-67.28	414.86	2.25	-65.03
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CC[N@@H+]1CCOCC1CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030429812	1	56	0.0	-75.88	413.44	2.77	-73.11
CC[N@H+]1CCOCC1CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030429812	1	56	0.0	-75.88	413.44	2.77	-73.11
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C[N@@H+]1CC=CCC1CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030429829	0	53	0.0	-59.50	389.59	4.35	-55.15
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CC(C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)N1CCSCC1	REAL300030429961	0	53	0.0	-71.78	396.85	4.18	-67.60
CC(C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+]1CCSCC1	REAL300030429961	1	53	0.0	-71.78	396.85	4.18	-67.60
C[N@@H+]1CCC[C@H]1C(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030429970	0	49	0.0	-72.16	365.43	2.85	-69.31
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CC1C(C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC[N@@H+]1C	REAL300030430003	0	52	0.0	-71.59	381.11	3.70	-67.89
CC1C(C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)CC[N@H+]1C	REAL300030430003	1	52	0.0	-71.59	381.11	3.70	-67.89
C[N@@H+]1CCCCC1CCC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030430005	0	58	0.0	-68.85	423.10	5.21	-63.64
C[N@H+]1CCCCC1CCC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030430005	1	58	0.0	-68.85	423.10	5.21	-63.64
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C[N@@H+]1CCOCC1CC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030430051	1	53	0.0	-67.09	387.59	1.94	-65.15
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C[N@@H+]1CCCC1C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030430227	0	49	0.0	-67.14	364.25	3.26	-63.88
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C[N@@H+]1CCC(CC(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030430519	0	52	0.0	-78.15	395.69	4.24	-73.91
C[N@H+]1CCC(CC(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030430519	1	52	0.0	-78.15	395.69	4.24	-73.91
CCC(C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030430536	0	51	0.0	-68.74	371.58	3.45	-65.29
C[NH+](C)CCCCC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030430603	0	54	0.0	-74.34	407.06	4.59	-69.75
CC(C)C(C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030430625	0	54	0.0	-69.84	385.93	4.06	-65.78
CCC[N@H+](C)CCC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030430627	0	54	0.0	-79.04	409.88	4.61	-74.43
CCC[N@@H+](C)CCC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030430627	1	54	0.0	-79.04	409.88	4.61	-74.43
CCC[N@H+](C)CC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030430633	0	51	0.0	-75.89	387.52	4.00	-71.89
CCC[N@@H+](C)CC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030430633	1	51	0.0	-75.89	387.52	4.00	-71.89
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CCCCCC[N@H+](C)CC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030430693	0	60	0.0	-77.32	453.89	6.36	-70.96
CCCCCC[N@@H+](C)CC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030430693	1	60	0.0	-77.32	453.89	6.36	-70.96
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CC1CC[NH+](CC(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030430731	0	55	0.0	-76.52	411.31	5.04	-71.48
C[NH+]1CCC(OCC(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030430759	0	56	0.0	-78.40	421.63	4.57	-73.83
O=C(NC12CC1CCN(C(=O)C1CC3CCCC[N@@H+]3C1)CC2)C1=CC(=O)[N-]O1	REAL300030430804	0	56	0.0	-73.65	413.73	5.21	-68.44
O=C(NC12CC1CCN(C(=O)C1CC3CCCC[N@H+]3C1)CC2)C1=CC(=O)[N-]O1	REAL300030430804	1	56	0.0	-73.65	413.73	5.21	-68.44
C[NH+](C)CC1(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030430815	0	52	0.0	-79.07	394.25	4.08	-74.99
CC1=NC=C2CCC(C(=O)N3CCC4CC4(NC(=O)C4=CC(=O)[N-]O4)CC3)CN21	REAL300030430816	0	54	0.0	-70.29	414.23	5.06	-65.23
CC1=[NH+]C=C2CCC(C(=O)N3CCC4CC4(NC(=O)C4=CC(=O)[N-]O4)CC3)CN21	REAL300030430816	1	54	0.0	-70.29	414.23	5.06	-65.23
CC(C)[NH+]1CCC(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030430827	0	58	0.0	-78.48	426.32	5.32	-73.16
CC[N@H+](C)CCC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030430852	0	51	0.0	-78.38	388.94	3.86	-74.52
CC[N@@H+](C)CCC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030430852	1	51	0.0	-78.25	388.93	3.85	-74.40
CC(C)(C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCCC1	REAL300030430878	0	58	0.0	-72.60	410.53	4.88	-67.72
O=C(NC12CC1CCN(C(=O)C1C[NH+]3CCC1CC3)CC2)C1=CC(=O)[N-]O1	REAL300030430888	0	53	0.0	-84.63	384.00	4.05	-80.58
C[NH+]1CCC(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030430968	0	52	0.0	-81.34	390.88	4.05	-77.29
CC(C)[C@H](C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030430986	0	54	0.0	-65.81	381.52	3.88	-61.93
CC[NH+](CC)CC(F)C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030431081	0	54	0.0	-78.48	403.75	4.18	-74.30
CC(C)C[N@@H+]1CCC(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030431116	0	58	0.0	-69.31	424.09	5.36	-63.95
CC(C)C[N@H+]1CCC(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030431116	1	58	0.0	-71.96	423.23	5.28	-66.68
C[NH+](C)C1(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300030431120	0	52	0.0	-78.76	377.02	3.61	-75.15
CCC(C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](CC)CC	REAL300030431151	0	57	0.0	-63.70	402.36	4.52	-59.18
CC1CCC[N@@H+]1CC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030431171	0	52	0.0	-73.09	393.62	4.39	-68.70
CC1CCC[N@H+]1CC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030431171	1	52	0.0	-66.06	386.64	4.10	-61.96
CC(C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCCCC1	REAL300030431241	0	58	0.0	-71.06	415.80	4.93	-66.13
CC(C)[N@@H+]1CCCCC1C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030431243	0	58	0.0	-68.09	420.68	5.03	-63.06
CC(C)[N@H+]1CCCCC1C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030431243	1	58	0.0	-63.14	403.35	4.64	-58.50
CC(C)[N@@H+]1CCCC1C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030431264	0	55	0.0	-65.20	400.17	4.30	-60.90
CC(C)[N@H+]1CCCC1C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030431264	1	55	0.0	-65.07	396.93	4.31	-60.76
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030431270	0	58	0.0	-65.04	411.42	4.99	-60.05
CC(C)[N@H+]1CCCC1CC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030431270	1	58	0.0	-69.11	421.93	5.14	-63.97
CC(C)[C@@H](C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030431285	0	54	0.0	-69.49	384.17	4.10	-65.39
CC1CC[N@H+](CC(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030431306	0	52	0.0	-68.20	387.81	4.12	-64.08
CC1CC[N@@H+](CC(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030431306	1	52	0.0	-67.67	387.04	4.11	-63.56
CC1=[NH+]C=C2CC(C(=O)N3CCC4CC4(NC(=O)C4=CC(=O)[N-]O4)CC3)CCN21	REAL300030431308	1	54	0.0	-62.57	414.56	5.12	-57.45
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CC1(C)CC[N@@H+](CC(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030431311	1	55	0.0	-75.04	414.91	4.84	-70.20
C[N@H+](CC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300030431312	0	57	0.0	-76.14	417.46	5.00	-71.14
C[N@@H+](CC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300030431312	1	57	0.0	-75.33	417.43	5.15	-70.18
CC[C@@H](C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030431321	0	51	0.0	-71.45	376.64	3.45	-68.00
CN(CCC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=[NH+]C=C1	REAL300030431448	0	54	0.0	-72.89	423.02	4.30	-68.59
CC1=[NH+]C=CN1CC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030431532	1	47	0.0	-71.83	377.70	4.19	-67.64
CC(C[NH+]1CCOCC1)C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030431534	0	56	0.0	-72.70	408.52	2.88	-69.82
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C[NH+](C)CC1=CC(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)=NO1	REAL300030431569	1	51	0.0	-77.32	396.65	3.63	-73.69
CC1=C(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)C=CC2=C[NH+]=CN21	REAL300030431570	0	50	0.0	-76.54	392.09	5.95	-70.59
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030431605	1	53	0.0	-70.39	414.06	5.32	-65.07
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CC[N@@H+]1CCOC(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030431663	1	53	0.0	-78.78	391.44	3.30	-75.48
CC[N@H+]1CCOC(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030431663	1	53	0.0	-75.01	394.14	3.35	-71.66
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CC1=C[NH+]=CN1CC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030431721	1	47	0.0	-74.29	379.92	4.95	-69.34
C[C@@H]1[C@H](C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300030431737	0	52	0.0	-77.89	385.40	4.13	-73.76
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CC[C@@H]1[C@@H](C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300030431742	0	55	0.0	-78.15	406.45	4.25	-73.90
CC[C@@H]1[C@@H](C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300030431742	1	55	0.0	-73.87	399.41	4.25	-69.62
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C#CC[NH+]1CCC(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030431768	0	54	0.0	-83.34	416.68	5.28	-78.06
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CC[N@@H+]1CCCCC1C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030431777	0	55	0.0	-64.69	386.73	4.13	-60.56
CC[N@H+]1CCCCC1C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030431777	1	55	0.0	-63.47	387.59	4.11	-59.36
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C[N@@H+](CC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300030431986	1	52	0.0	-73.83	396.28	4.58	-69.25
CC(C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1C(C)CCC1C	REAL300030432011	0	58	0.0	-71.32	418.40	4.94	-66.38
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C[N@H+]1CCC[C@@H]1C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030432082	1	49	0.0	-72.29	370.82	3.47	-68.82
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CCC[N@@H+]1CCCC(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030432203	0	58	0.0	-70.20	420.38	5.15	-65.05
CCC[N@H+]1CCCC(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030432203	1	58	0.0	-65.43	421.85	5.24	-60.19
CC(C)[N@@H+]1CCOC(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030432220	1	56	0.0	-74.38	397.88	3.51	-70.87
CC(C)[N@H+]1CCOC(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030432220	1	56	0.0	-79.51	407.92	3.79	-75.72
C[N@@H+]1CCCCC1C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030432251	0	52	0.0	-70.65	387.52	4.10	-66.55
C[N@H+]1CCCCC1C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030432251	1	52	0.0	-70.85	387.26	4.10	-66.75
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030432275	0	58	0.0	-73.40	411.29	5.25	-68.15
CC(C)C[N@H+]1CCCC1C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030432275	1	58	0.0	-72.70	425.51	5.21	-67.49
O=C(C[NH+]1CCC(CO)CC1)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030432290	0	56	0.0	-79.31	422.24	1.75	-77.56
CC1C(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300030432336	0	52	0.0	-77.36	386.70	4.07	-73.29
CC1C(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300030432336	1	52	0.0	-77.82	385.01	4.14	-73.68
C[N@@H+]1CCCCC1CCC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030432338	0	58	0.0	-81.30	422.22	5.37	-75.93
C[N@H+]1CCCCC1CCC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030432338	1	58	0.0	-74.85	428.49	5.50	-69.35
NC1=[NH+]C2=C(C=C1C(=O)N1CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC1)CCC2	REAL300030432370	1	52	0.0	-61.92	396.65	3.18	-58.74
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030432434	0	55	0.0	-65.40	403.06	4.08	-61.32
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030432434	1	55	0.0	-64.78	402.18	4.09	-60.69
C[C@@H](C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030432453	0	48	0.0	-67.23	356.97	2.75	-64.48
C[NH+](C)CC1=CC(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)=CC=N1	REAL300030432467	1	54	0.0	-68.86	414.10	4.10	-64.76
C=CCC(C)(C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030432471	0	55	0.0	-62.66	386.27	3.84	-58.82
O=C(CC[NH+]1CCCC1)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030432496	0	52	0.0	-77.71	396.57	4.36	-73.35
C[N@H+](CCO)CC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030432506	1	49	0.0	-76.48	376.37	0.02	-76.46
C[N@@H+](CCO)CC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030432506	1	49	0.0	-76.38	378.25	0.05	-76.33
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CC(C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCSCC1	REAL300030432566	1	53	0.0	-75.31	404.52	4.45	-70.86
C[N@H+]1CC=C(CC(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030432606	0	53	0.0	-73.80	407.92	4.93	-68.87
C[N@@H+]1CC=C(CC(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030432606	1	53	0.0	-69.05	401.72	4.81	-64.24
C[S+](C)CCC(O)C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030432621	0	51	0.0	-84.04	407.28	1.95	-82.09
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030432640	0	53	0.0	-64.90	391.58	0.10	-64.80
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030432640	1	53	0.0	-70.16	387.39	-0.14	-70.30
CN1CC[N@H+](C)CC(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030432653	0	57	0.0	-66.53	406.64	2.26	-64.27
CN1CC[N@@H+](C)CC(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030432653	1	57	0.0	-70.34	412.29	1.98	-68.36
CC(C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1)[N@@H+]1CCCC(O)C1	REAL300030432654	0	56	0.0	-65.63	405.25	1.37	-64.26
CC(C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1)[N@H+]1CCCC(O)C1	REAL300030432654	1	56	0.0	-68.73	409.18	1.49	-67.24
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030432681	0	52	0.0	-70.46	402.80	3.24	-67.22
C[N@@H+]1CCCC(O)(CC(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030432687	0	56	0.0	-75.21	415.78	3.06	-72.15
C[N@H+]1CCCC(O)(CC(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030432687	1	56	0.0	-70.62	419.12	2.97	-67.65
CC1C[NH+](CC(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030432692	1	49	0.0	-69.80	372.74	3.60	-66.20
CC[N@@H+]1CCCC(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030432699	0	55	0.0	-63.70	406.49	4.64	-59.06
CC[N@H+]1CCCC(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030432699	1	55	0.0	-80.97	409.67	4.74	-76.23
NC1=[NH+]C=CC=C1CC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030432705	0	48	0.0	-71.13	382.53	2.44	-68.69
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O=C(C=CC[NH+]1CCCC1)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030432761	0	53	0.0	-72.86	403.05	4.86	-68.00
O=C(NC12CC1CCN(C(=O)C1CC[NH+](C3CC3)CC1)CC2)C1=CC(=O)[N-]O1	REAL300030432784	0	56	0.0	-78.03	421.34	5.54	-72.49
CC[N@H+](C)CC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030432831	0	48	0.0	-75.62	366.03	3.25	-72.37
O=C(C[N@@H+]1CC2C=CC1C2)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030432891	1	51	0.0	-71.50	388.76	4.46	-67.04
O=C(C[N@H+]1CC2C=CC1C2)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030432891	1	51	0.0	-67.27	381.12	4.39	-62.88
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[NH2+]=C1SC=CN1CC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030434214	0	45	0.0	-71.40	375.38	2.78	-68.62
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CC(C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1)N1CC[NH+](C)CC1	REAL300030434392	1	57	0.0	-75.90	424.68	2.45	-73.45
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CC(CC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300030434426	0	54	0.0	-73.97	398.62	4.46	-69.51
O=C(NC12CC1CCN(C(=O)C1CC[N@@H+]3CCOCC13)CC2)C1=CC(=O)[N-]O1	REAL300030434442	0	54	0.0	-72.44	399.39	2.75	-69.69
O=C(NC12CC1CCN(C(=O)C1CC[N@H+]3CCOCC13)CC2)C1=CC(=O)[N-]O1	REAL300030434442	1	54	0.0	-76.23	395.17	2.51	-73.72
CC1=[NH+]C=C2C=CC(C(=O)N3CCC4CC4(NC(=O)C4=CC(=O)[N-]O4)CC3)=CN21	REAL300030434447	0	50	0.0	-65.35	397.59	5.53	-59.82
CN1CCOCC1CC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030434464	0	53	0.0	-70.76	391.93	2.29	-68.47
C[N@@H+]1CCOCC1CC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030434464	1	53	0.0	-76.43	393.15	2.32	-74.11
C[N@H+]1CCOCC1CC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030434464	1	53	0.0	-70.76	391.93	2.29	-68.47
CC[NH+]1CCN(CC(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030434472	0	57	0.0	-73.67	425.88	2.71	-70.96
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030434527	1	48	0.0	-73.11	371.79	1.68	-71.43
NC1=CC=C(CCC(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)C=[NH+]1	REAL300030434530	0	51	0.0	-75.32	407.85	3.13	-72.19
CC1(O)CC[N@@H+](CC(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030434571	1	53	0.0	-68.30	397.68	0.82	-67.48
C[NH+]1CC(CC(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030434606	0	49	0.0	-70.95	373.13	3.27	-67.68
O=C(NC12CC1CCN(C(=O)C1CC[N@@H+]1C1CCCC1)CC2)C1=CC(=O)[N-]O1	REAL300030434611	0	56	0.0	-73.37	412.03	5.02	-68.35
O=C(NC12CC1CCN(C(=O)C1CC[N@H+]1C1CCCC1)CC2)C1=CC(=O)[N-]O1	REAL300030434611	1	56	0.0	-76.50	420.96	5.36	-71.14
C[NH+](C)CC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030434619	0	45	0.0	-76.30	348.28	2.59	-73.71
C[N@H+](CCO)CCC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030434648	0	52	0.0	-77.96	398.74	0.65	-77.31
C[N@@H+](CCO)CCC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030434648	1	52	0.0	-77.26	397.84	0.61	-76.65
C[C@@H](C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030434649	0	48	0.0	-67.23	356.97	2.75	-64.48
C[N@@H+]1CCCCC1CC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030434671	0	55	0.0	-65.71	394.33	4.57	-61.14
C[N@H+]1CCCCC1CC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030434671	1	55	0.0	-79.82	408.06	4.82	-75.00
CC1=C2C=C(C(=O)N3CCC4CC4(NC(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300030434693	1	50	0.0	-71.90	398.23	6.38	-65.52
CC(C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CC(C)C1	REAL300030434694	0	52	0.0	-65.99	388.31	3.90	-62.09
CC1CCN1CC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030434698	0	49	0.0	-67.14	367.47	3.23	-63.91
CC1CC[N@@H+]1CC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030434698	1	49	0.0	-67.10	368.36	3.26	-63.84
CC1CC[N@H+]1CC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030434698	1	49	0.0	-67.14	367.47	3.23	-63.91
C[NH+](C)CC=CC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030434712	0	49	0.0	-74.13	377.97	3.70	-70.43
CC1(C)C[NH+](CC(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030434725	1	52	0.0	-76.42	400.84	4.22	-72.20
CC1=C(C)[NH+]=C(CCC(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300030434744	1	53	0.0	-71.43	419.08	3.92	-67.51
CC1=C2C=C(C(=O)N3CCC4CC4(NC(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300030434755	1	50	0.0	-71.90	398.23	6.38	-65.52
C[NH+](C)CCSCC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030434765	0	52	0.0	-76.97	408.60	4.43	-72.54
O=C(C[N@@H+]1CCCC1CO)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030434791	1	53	0.0	-67.54	391.24	0.50	-67.04
CC[NH+](CC)CC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030434795	0	51	0.0	-67.43	377.34	3.74	-63.69
C[N@@H+](CC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1)C1CCSC1	REAL300030434806	1	53	0.0	-73.97	401.05	4.63	-69.34
O=C(C[NH+]1CCC1)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030434808	1	46	0.0	-76.26	360.32	3.02	-73.24
CC[NH+](CC)CCC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030434859	0	54	0.0	-71.80	394.96	4.09	-67.71
C[NH+](C)CC1=CNC(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030434926	0	53	0.0	-77.40	404.87	3.92	-73.48
CC(C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC(O)CC1	REAL300030434945	0	56	0.0	-77.22	416.53	1.43	-75.79
O=C(NC12CC1CCN(C(=O)C1CC3COCC[N@@H+]3C1)CC2)C1=CC(=O)[N-]O1	REAL300030434951	0	54	0.0	-78.95	401.93	2.72	-76.23
O=C(NC12CC1CCN(C(=O)C1CC3COCC[N@H+]3C1)CC2)C1=CC(=O)[N-]O1	REAL300030434951	1	54	0.0	-78.39	405.57	2.77	-75.62
CC(C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC1	REAL300030434966	1	49	0.0	-66.21	367.70	3.27	-62.94
CCC(CC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300030434973	0	57	0.0	-78.40	418.68	5.11	-73.29
NC1=CC=C(C=CC(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)C=[NH+]1	REAL300030434980	0	49	0.0	-81.24	393.92	2.80	-78.44
C[NH+](C)CC(C)(C)C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030434981	0	54	0.0	-72.82	379.51	3.40	-69.42
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030435045	0	52	0.0	-67.88	371.40	3.51	-64.37
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030435045	1	52	0.0	-71.38	389.77	4.17	-67.21
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030435060	0	55	0.0	-77.82	390.37	1.00	-76.82
CC1CN2CC[N@H+]1CC2C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030435060	1	55	0.0	-67.83	392.21	1.07	-66.76
C[NH+](C)CC(O)CC(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030435081	0	52	0.0	-76.31	394.15	1.44	-74.87
C[NH+]1C2CCC1CC(C(=O)N1CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300030435084	0	56	0.0	-66.27	386.74	4.15	-62.12
C=CCC(C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030435117	0	52	0.0	-69.55	385.39	3.97	-65.58
O=C(NC12CC1CCN(C(=O)C1CC3CCCC[N@@H+]3C1)CC2)C1=CC(=O)[N-]O1	REAL300030435127	0	56	0.0	-75.20	412.77	5.09	-70.11
O=C(NC12CC1CCN(C(=O)C1CC3CCCC[N@H+]3C1)CC2)C1=CC(=O)[N-]O1	REAL300030435127	1	56	0.0	-73.65	413.73	5.21	-68.44
C[NH+]1CCC(C)(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030435138	0	55	0.0	-64.10	389.28	3.86	-60.24
C[NH+]1CCC(O)(CC(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030435140	0	56	0.0	-77.27	420.17	2.94	-74.33
CC1=C2C=C(C(=O)NC34CC3CCN(C(=O)C3=CC(=O)[N-]O3)CC4)C=CN2C=[NH+]1	REAL300030435216	1	50	0.0	-73.95	399.83	6.48	-67.47
C[NH+](C)CCSCC(=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030435224	0	52	0.0	-75.27	405.84	4.10	-71.17
O=C(NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC2COCC[N@@H+]2C1	REAL300030435231	0	54	0.0	-73.72	403.19	2.58	-71.14
O=C(NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC2COCC[N@H+]2C1	REAL300030435231	1	54	0.0	-69.76	400.98	2.65	-67.11
C[N@@H+]1CCCC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030435391	0	49	0.0	-73.16	376.77	2.91	-70.25
C[N@H+]1CCCC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030435391	1	49	0.0	-72.13	381.93	3.36	-68.77
C[N@@H+]1CCOC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030435415	1	50	0.0	-71.92	389.64	3.03	-68.89
C[N@H+]1CCOC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030435415	1	50	0.0	-81.25	385.71	2.62	-78.63
CC(C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCCC1	REAL300030435586	0	58	0.0	-70.30	425.82	4.83	-65.47
CC(C)[N@@H+]1CCCCC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030435588	0	58	0.0	-68.04	423.72	4.92	-63.12
CC(C)[N@H+]1CCCCC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030435588	1	58	0.0	-70.38	423.74	4.94	-65.44
CC(C)[N@@H+]1CCCC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030435609	0	55	0.0	-62.01	410.63	4.67	-57.34
CC(C)[N@H+]1CCCC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030435609	1	55	0.0	-72.28	409.26	4.57	-67.71
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@@H+]2C1	REAL300030435626	0	56	0.0	-72.92	424.35	5.11	-67.81
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@H+]2C1	REAL300030435626	1	56	0.0	-76.62	422.96	5.10	-71.52
CC(C)C1=[NH+]C=CN1CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030435648	1	53	0.0	-69.41	418.07	5.35	-64.06
CC1=[NH+]C=CN1CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030435682	1	47	0.0	-69.92	386.23	3.98	-65.94
CC(C[NH+]1CCOCC1)C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030435684	0	56	0.0	-75.81	428.11	3.09	-72.72
O=C(CCC[NH+]1CCCCC1)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030435701	0	58	0.0	-74.54	441.85	5.55	-68.99
CC(C)(C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCC1	REAL300030435720	0	58	0.0	-72.93	426.21	5.30	-67.63
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1C[NH+]2CCC1CC2	REAL300030435730	0	53	0.0	-76.22	392.28	4.43	-71.79
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCC2CCC[N@@H+]21	REAL300030435776	0	56	0.0	-69.56	411.82	4.91	-64.65
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCC2CCC[N@H+]21	REAL300030435776	1	56	0.0	-69.11	412.94	4.88	-64.23
C[C@@H]1[C@H](C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030435792	0	52	0.0	-77.11	393.02	3.55	-73.56
C[C@@H]1[C@H](C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030435792	1	52	0.0	-78.53	399.69	3.61	-74.92
CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030435797	0	55	0.0	-75.58	414.26	4.05	-71.53
CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030435797	1	55	0.0	-74.55	416.50	4.57	-69.98
CC[N@@H+]1CCOC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030435812	1	53	0.0	-78.10	403.51	3.27	-74.83
CC[N@H+]1CCOC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030435812	1	53	0.0	-83.87	411.96	3.45	-80.42
CC[NH+](CC)CC(F)C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030435858	0	54	0.0	-73.95	414.97	4.11	-69.84
CC1CCC(C)[NH+]1CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030435931	0	55	0.0	-69.83	413.83	4.24	-65.59
O=C(CCC[NH+]1CCCC1)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030435937	0	55	0.0	-74.37	425.02	4.78	-69.59
C[NH+](C)CC1=CC=CC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030435938	0	55	0.0	-76.68	430.58	6.10	-70.58
C#CC[NH+]1CCC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030435943	0	54	0.0	-80.77	426.07	5.18	-75.59
O=C(CC[NH+]1CCCCC1)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030435944	0	55	0.0	-74.44	420.81	4.79	-69.65
C[NH+](C)CC1=CC=CC=C1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030435947	0	55	0.0	-65.07	426.56	6.10	-58.97
CC[N@@H+]1CCCCC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030435951	0	55	0.0	-69.43	415.47	4.62	-64.81
CC[N@H+]1CCCCC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030435951	1	55	0.0	-71.93	405.81	4.41	-67.52
C[NH+](C)C(C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300030435954	1	55	0.0	-70.51	431.49	5.85	-64.66
CC(C)C[N@@H+]1CCC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030435971	0	58	0.0	-73.56	440.13	5.37	-68.19
CC(C)C[N@H+]1CCC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030435971	1	58	0.0	-75.19	441.18	5.36	-69.83
C[NH+](C)C1(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CCC1	REAL300030435975	0	52	0.0	-69.69	389.89	3.86	-65.83
CC(C)[N@@H+]1CCCC1CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030435977	0	58	0.0	-71.89	436.03	5.04	-66.85
CC(C)[N@H+]1CCCC1CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030435977	1	58	0.0	-67.56	424.52	4.89	-62.67
CC(C)[C@@H](C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030435992	0	54	0.0	-73.22	404.10	4.43	-68.79
C[N@H+](CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300030436041	0	52	0.0	-71.37	402.90	4.35	-67.02
C[N@@H+](CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300030436041	1	52	0.0	-72.08	403.04	4.36	-67.72
CC(C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1C(C)CCC1C	REAL300030436105	0	58	0.0	-67.66	427.47	4.62	-63.04
CN(CCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=[NH+]C=C1	REAL300030436161	0	54	0.0	-72.82	431.54	4.03	-68.79
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030436169	1	51	0.0	-70.97	403.46	4.14	-66.83
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030436169	1	51	0.0	-71.99	409.14	4.66	-67.33
C[N@@H+]1CCCC1CCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030436175	0	55	0.0	-78.79	419.01	4.70	-74.09
C[N@H+]1CCCC1CCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030436175	1	55	0.0	-68.73	413.58	4.56	-64.17
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[NH+](CCC1)C2	REAL300030436186	0	56	0.0	-72.83	407.88	4.76	-68.07
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC2CCCC[N@@H+]21	REAL300030436193	0	56	0.0	-72.37	417.66	4.84	-67.53
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC2CCCC[N@H+]21	REAL300030436193	1	56	0.0	-70.01	424.59	5.30	-64.71
O=C(CCCC[NH+]1CCCC1)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030436213	0	58	0.0	-74.87	448.13	5.68	-69.19
C[N@H+](CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300030436215	1	55	0.0	-78.13	433.46	5.96	-72.17
C[N@@H+](CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300030436215	1	55	0.0	-78.29	433.46	5.96	-72.33
C[NH+]1CCC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030436226	0	52	0.0	-77.16	401.39	4.03	-73.13
C[NH+](C)CC1=CC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)=NO1	REAL300030436267	1	51	0.0	-82.42	413.55	3.31	-79.11
CC1=C(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C=CC2=C[NH+]=CN21	REAL300030436268	0	50	0.0	-78.15	407.79	6.09	-72.06
C[N@@H+]1CCCCC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030436300	0	52	0.0	-64.39	392.97	4.12	-60.27
C[N@H+]1CCCCC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030436300	1	52	0.0	-73.40	388.11	3.76	-69.64
CC(C)C[N@@H+]1CCCC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030436323	0	58	0.0	-62.95	436.54	5.74	-57.21
CC(C)C[N@H+]1CCCC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030436323	1	58	0.0	-69.92	435.79	5.82	-64.10
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN2C=[NH+]C=C2C=C1	REAL300030436428	0	47	0.0	-74.90	386.97	5.87	-69.03
CC1=[NH+]C=CN1CCCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030436437	1	53	0.0	-71.23	427.77	5.25	-65.98
C[NH+](C)CC1=CC=C(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C=C1	REAL300030436442	0	55	0.0	-82.03	434.94	5.84	-76.19
O=C(CC[NH+]1CCOCC1)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030436443	1	53	0.0	-77.97	410.97	2.38	-75.59
CC1=C[NH+]=CN1CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030436474	1	47	0.0	-73.79	385.52	4.65	-69.14
O=C(CN1C=[NH+]C2=C1CCCC2)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030436480	1	54	0.0	-71.51	424.02	6.69	-64.82
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[NH+]1CCC2	REAL300030436516	0	53	0.0	-74.31	401.43	4.34	-69.97
C[NH+](C)C1CCCC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030436545	0	58	0.0	-69.87	429.08	5.02	-64.85
C[N@@H+]1CCC(CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030436548	0	52	0.0	-76.84	403.31	3.97	-72.87
C[N@H+]1CCC(CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030436548	1	52	0.0	-74.50	397.36	4.22	-70.28
CN(C)C1=CC=[NH+]C=C1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030436560	0	51	0.0	-78.95	401.75	3.42	-75.53
CCC(C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030436565	0	51	0.0	-72.05	386.42	3.32	-68.73
C[NH+](C)C1(CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300030436579	0	58	0.0	-78.77	419.30	4.77	-74.00
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC2=C[NH+]=CN2C=C1	REAL300030436623	1	47	0.0	-79.30	387.24	5.86	-73.44
C[NH+](C)CCCCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030436681	0	54	0.0	-76.06	421.06	4.52	-71.54
CC(C)C(C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030436701	0	54	0.0	-71.02	399.92	3.91	-67.11
CCC[N@H+](C)CCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030436703	0	54	0.0	-75.88	418.39	4.33	-71.55
CCC[N@@H+](C)CCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030436703	1	54	0.0	-75.76	418.39	4.33	-71.43
CCC[N@H+](C)CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030436709	0	51	0.0	-73.70	396.03	3.78	-69.92
CCC[N@@H+](C)CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030436709	1	51	0.0	-73.75	396.03	3.77	-69.98
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C12CC[N@H+](C1)CCC2	REAL300030436733	0	53	0.0	-80.48	397.61	3.68	-76.80
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C12CC[N@@H+](C1)CCC2	REAL300030436733	1	53	0.0	-76.71	397.48	3.56	-73.15
C[N@@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030436773	0	49	0.0	-66.84	370.93	3.06	-63.78
C[N@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030436773	1	49	0.0	-69.96	383.27	3.37	-66.59
CCCCCC[N@H+](C)CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030436833	0	60	0.0	-74.92	460.53	6.12	-68.80
CCCCCC[N@@H+](C)CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030436833	1	60	0.0	-75.26	456.13	6.35	-68.91
CC[NH+](CC)C(C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C(C)C	REAL300030436838	0	60	0.0	-70.08	437.51	5.43	-64.65
CC[NH+](CC)CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030436847	0	51	0.0	-72.39	387.28	3.45	-68.94
CCC[N@@H+]1CCCC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030436879	0	58	0.0	-75.31	439.20	5.38	-69.93
CCC[N@H+]1CCCC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030436879	1	58	0.0	-68.24	434.26	5.59	-62.65
CC(C)[N@@H+]1CCOC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030436896	1	56	0.0	-76.23	420.28	3.80	-72.43
CC(C)[N@H+]1CCOC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030436896	1	56	0.0	-81.65	428.74	3.96	-77.69
CC1CC[NH+](CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030436928	0	55	0.0	-74.57	418.66	4.87	-69.70
C[NH+]1CCC(OCC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030436956	0	56	0.0	-80.08	436.75	4.43	-75.65
C[NH+](C)CC1(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030436970	0	52	0.0	-79.80	402.69	3.99	-75.81
CC1=[NH+]C=C2CCC(C(=O)NC3CC4(C3)CCN(C(=O)C3=CC(=O)[N-]O3)C4)CN21	REAL300030436971	1	54	0.0	-68.66	424.42	5.11	-63.55
CC(C)[NH+]1CCC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030437046	0	58	0.0	-75.78	432.06	4.98	-70.80
C[NH+]1CCC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030437067	0	52	0.0	-77.16	401.39	4.03	-73.13
CC(C)[C@H](C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030437085	0	54	0.0	-74.28	404.92	4.56	-69.72
CCC(C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](CC)CC	REAL300030437116	0	57	0.0	-68.24	421.83	4.67	-63.57
CC[N@H+](C)CCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030437178	0	51	0.0	-75.14	396.90	3.58	-71.56
CC[N@@H+](C)CCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030437178	1	51	0.0	-75.10	396.90	3.59	-71.51
CC1CCC[N@@H+]1CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030437234	0	52	0.0	-72.41	394.15	3.74	-68.67
CC1CCC[N@H+]1CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030437234	1	52	0.0	-70.28	389.72	4.00	-66.28
CC1CC[N@H+](CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030437236	0	52	0.0	-73.04	402.02	4.10	-68.94
CC1CC[N@@H+](CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030437236	1	52	0.0	-72.55	397.09	4.25	-68.30
CC1=[NH+]C=C2CC(C(=O)NC3CC4(C3)CCN(C(=O)C3=CC(=O)[N-]O3)C4)CCN21	REAL300030437238	1	54	0.0	-71.45	425.32	5.11	-66.34
CC1(C)CC[N@H+](CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030437241	0	55	0.0	-75.20	421.89	4.63	-70.57
CC1(C)CC[N@@H+](CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030437241	1	55	0.0	-65.59	417.28	4.81	-60.78
C[N@H+](CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300030437242	0	57	0.0	-73.57	424.64	4.77	-68.80
C[N@@H+](CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300030437242	1	57	0.0	-73.59	426.94	4.94	-68.65
CC[C@@H](C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030437251	0	51	0.0	-74.12	388.11	3.49	-70.63
C[NH+]1CCC(O)(CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030437430	0	56	0.0	-73.52	423.11	2.73	-70.79
C[NH+](C)CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030437442	0	45	0.0	-74.51	355.70	2.37	-72.14
O=C(C[NH+]1CCC(CO)CC1)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030437446	0	56	0.0	-75.25	430.59	1.55	-73.70
O=C(C[NH+]1CCCCCC1)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030437448	0	55	0.0	-72.74	407.88	4.42	-68.32
CN1C=C[N+](CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030437452	0	47	0.0	-71.94	386.93	5.88	-66.06
C[N@@H+]1CCCC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030437459	0	52	0.0	-75.49	401.38	4.00	-71.49
C[N@H+]1CCCC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030437459	1	52	0.0	-64.37	390.69	4.41	-59.96
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@@H+]1C1CC1	REAL300030437464	0	53	0.0	-61.74	409.15	5.07	-56.67
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@H+]1C1CC1	REAL300030437464	1	53	0.0	-68.82	408.17	4.72	-64.10
CC(C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300030437493	1	49	0.0	-73.80	385.82	3.35	-70.45
CCC(CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300030437499	0	57	0.0	-75.87	427.20	4.85	-71.02
C[NH+](C)CC(C)(C)C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030437506	0	54	0.0	-73.99	403.99	4.04	-69.95
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C12CC(C1)C[N@@H+]2C1CC1	REAL300030437524	0	54	0.0	-71.94	414.94	5.08	-66.86
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C12CC(C1)C[N@H+]2C1CC1	REAL300030437524	1	54	0.0	-78.64	414.89	5.68	-72.96
O=C(C[NH+]1CCC(O)CC1)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030437535	1	53	0.0	-78.25	410.00	0.88	-77.37
C[N@H+](CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030437536	0	49	0.0	-71.23	386.21	3.77	-67.46
C[N@@H+](CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030437536	1	49	0.0	-71.53	386.19	3.77	-67.76
CC(C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)N1CC[NH+](C)CC1	REAL300030437537	1	57	0.0	-75.14	428.80	2.18	-72.96
C[NH+]1CC(CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030437556	0	49	0.0	-74.18	382.47	3.45	-70.73
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@@H+]1C1CCCC1	REAL300030437560	0	56	0.0	-72.41	423.47	4.82	-67.59
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@H+]1C1CCCC1	REAL300030437560	1	56	0.0	-73.66	426.31	5.17	-68.49
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030437568	0	55	0.0	-72.75	416.95	4.05	-68.70
CC(C)(C)[N@H+]1CCC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030437568	1	55	0.0	-72.55	416.64	4.05	-68.50
C[C@@H](C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030437579	0	48	0.0	-74.09	373.65	2.75	-71.34
CCC1CCC[N@H+](CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030437621	0	58	0.0	-73.76	432.02	5.73	-68.03
CCC1CCC[N@@H+](CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030437621	1	58	0.0	-76.10	436.42	5.46	-70.64
C[NH+](C)CC1=CC=C(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300030437629	0	53	0.0	-88.06	422.00	3.79	-84.27
[NH2+]=C1SC=CN1CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030437674	0	45	0.0	-69.30	383.87	2.53	-66.77
C[N@H+](CCO)CCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030437684	0	52	0.0	-74.62	407.25	0.35	-74.27
C[N@@H+](CCO)CCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030437684	1	52	0.0	-74.79	407.23	0.34	-74.45
C[C@@H](C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030437685	0	48	0.0	-74.09	373.65	2.75	-71.34
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030437689	0	52	0.0	-70.82	389.40	3.78	-67.04
C[N@H+]1CCCC[C@@H]1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030437689	1	52	0.0	-69.45	398.70	3.96	-65.49
CC1CN2CC[N@@H+]1CC2C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030437698	0	55	0.0	-70.88	402.35	1.41	-69.47
CC1CN2CC[N@H+]1CC2C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030437698	1	55	0.0	-67.90	402.87	1.42	-66.48
O=C(CC1=CC2=C[NH+]=CN2C=C1)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030437744	0	50	0.0	-73.11	406.81	6.79	-66.32
C[N@H+](CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300030437769	0	53	0.0	-80.58	411.89	4.83	-75.75
C[N@@H+](CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300030437769	1	53	0.0	-78.98	416.07	4.61	-74.37
O=C(C[NH+]1CCC1)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030437770	1	46	0.0	-73.57	361.12	3.05	-70.52
C[NH+](C)CC1=CC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)=CC=N1	REAL300030437800	1	54	0.0	-73.92	430.95	4.39	-69.53
C[N@@H+]1CCC(=CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030437802	0	50	0.0	-75.92	389.62	4.13	-71.79
C[N@H+]1CCC(=CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030437802	1	50	0.0	-76.82	395.65	3.90	-72.92
C[NH+](C)CCOCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030437836	0	52	0.0	-74.06	411.57	3.43	-70.63
CCCCC[N@H+](C)CCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030437842	0	60	0.0	-76.81	461.39	5.89	-70.92
CCCCC[N@@H+](C)CCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030437842	1	60	0.0	-76.95	460.29	5.90	-71.05
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030437851	0	56	0.0	-75.06	435.68	4.29	-70.77
C=CCC(C)(C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030437858	0	55	0.0	-74.56	407.45	4.16	-70.40
C[S+](C)CCC(O)C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030437863	0	51	0.0	-79.43	420.54	2.01	-77.42
C[N@@H+]1CC(O)CC1(C)C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030437890	0	53	0.0	-81.02	403.05	0.62	-80.40
CN1CC[N@H+](C)CC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030437902	0	57	0.0	-65.19	423.21	2.34	-62.85
CN1CC[N@@H+](C)CC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030437902	1	57	0.0	-65.19	423.21	2.34	-62.85
CC(C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[N@@H+]1CCCC(O)C1	REAL300030437903	0	56	0.0	-65.50	422.60	1.43	-64.07
C[N@@H+]1CCCC(O)(CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030437922	0	56	0.0	-69.60	422.04	2.90	-66.70
C[N@H+]1CCCC(O)(CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030437922	1	56	0.0	-69.60	422.04	2.90	-66.70
CC1CN(CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030437925	0	49	0.0	-74.21	386.96	3.47	-70.74
CC1C[NH+](CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030437925	1	49	0.0	-74.21	386.96	3.47	-70.74
CN(CCO)CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030437952	0	49	0.0	-74.64	384.89	-0.21	-74.85
C[N@H+](CCO)CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030437952	1	49	0.0	-73.77	384.67	-0.21	-73.98
C[N@@H+](CCO)CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030437952	1	49	0.0	-73.77	384.67	-0.21	-73.98
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1C[N@@H+]2CCN1CCC2	REAL300030437975	0	55	0.0	-84.82	399.22	2.40	-82.42
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1C[N@H+]2CCN1CCC2	REAL300030437975	1	55	0.0	-84.82	399.22	2.40	-82.42
CC[N@@H+]1CCCC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030437981	0	55	0.0	-74.57	417.73	4.63	-69.94
CC[N@H+]1CCCC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030437981	1	55	0.0	-74.57	417.73	4.63	-69.94
CC(CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300030437983	0	54	0.0	-75.54	412.72	4.38	-71.16
CC[N@H+](C)CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030437996	0	48	0.0	-73.69	370.14	3.27	-70.42
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[N@@H+]1CCCC2	REAL300030438024	0	56	0.0	-68.79	411.24	4.94	-63.85
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[N@H+]1CCCC2	REAL300030438024	1	56	0.0	-68.79	411.24	4.94	-63.85
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[N@@H+]1CC=CC2	REAL300030438031	0	54	0.0	-75.80	402.72	5.23	-70.57
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[N@H+]1CC=CC2	REAL300030438031	1	54	0.0	-75.80	402.72	5.23	-70.57
CC[N@H+](CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030438052	0	52	0.0	-70.14	401.60	4.12	-66.02
CC[NH+](CC)CCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438070	0	54	0.0	-74.21	413.65	4.29	-69.92
CC1(C)CN(CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030438095	0	52	0.0	-76.18	405.89	3.91	-72.27
CC1(C)C[NH+](CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030438095	1	52	0.0	-76.18	405.89	3.91	-72.27
CC1(O)CC[N@H+](CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030438123	0	53	0.0	-72.73	412.78	0.77	-71.96
C[NH+](C)CC=CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438130	0	49	0.0	-77.55	391.66	3.59	-73.96
CC(OCC[NH+](C)C)C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438152	0	55	0.0	-72.71	431.36	4.10	-68.61
C[NH+](C)CCOCCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438161	0	55	0.0	-73.77	432.52	3.17	-70.60
COCCN(C)CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438162	0	52	0.0	-73.51	406.92	2.20	-71.31
COCC[N@H+](C)CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438162	1	52	0.0	-74.93	407.13	2.20	-72.73
COCC[N@@H+](C)CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438162	1	52	0.0	-74.93	407.13	2.20	-72.73
C[NH+](C)C1(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300030438198	0	55	0.0	-82.64	406.64	4.54	-78.10
CC(CCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030438201	0	54	0.0	-77.14	409.34	4.10	-73.04
CCN1CCC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438210	0	49	0.0	-73.62	380.24	3.08	-70.54
CC[N@@H+]1CCC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438210	1	49	0.0	-66.29	382.54	3.53	-62.76
CC[N@H+]1CCC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438210	1	49	0.0	-66.29	382.54	3.53	-62.76
CC(C)[N@@H+]1CCCC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030438220	0	58	0.0	-70.25	430.62	5.35	-64.90
CC(C)[N@H+]1CCCC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030438220	1	58	0.0	-70.25	430.62	5.35	-64.90
O=C(C[N@H+]1CCCC1CO)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438233	0	53	0.0	-64.77	404.93	1.15	-63.62
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@@H+]2C1	REAL300030438255	0	56	0.0	-76.62	422.96	5.10	-71.52
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@H+]2C1	REAL300030438255	1	56	0.0	-76.62	422.96	5.10	-71.52
C[NH+]1CCC(C)(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030438261	0	55	0.0	-71.52	407.75	4.65	-66.87
C=CCC(C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030438291	0	52	0.0	-73.27	402.32	4.03	-69.24
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438304	0	55	0.0	-73.79	417.13	3.98	-69.81
C[N@H+]1CC(C)(C)CC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438304	1	55	0.0	-73.79	417.13	3.98	-69.81
C[NH+](C)CCCCCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438308	0	57	0.0	-75.29	442.56	5.30	-69.99
CC1C[N@@H+]2CCN1C(C(=O)NC1CC3(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030438343	0	55	0.0	-78.23	409.95	1.38	-76.85
CCCC(C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030438344	0	54	0.0	-73.64	409.81	4.28	-69.36
C[NH+](C)C(C)(C)C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438348	0	51	0.0	-75.45	384.65	3.37	-72.08
C[N@@H+]1CCCCC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438390	0	52	0.0	-73.40	388.11	3.76	-69.64
C[N@H+]1CC=C(CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030438430	0	53	0.0	-67.88	410.81	4.89	-62.99
C[N@@H+]1CC=C(CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030438430	1	53	0.0	-67.88	410.81	4.89	-62.99
O=C(CC1([NH+]2CCCC2)CC1)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438439	0	56	0.0	-72.91	421.31	5.05	-67.86
CN(C)CC1=CC=C(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030438488	0	52	0.0	-76.44	415.58	4.44	-72.00
C[NH+](C)CC1=CC=C(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030438488	1	52	0.0	-76.44	415.58	4.44	-72.00
O=C(C=CC[NH+]1CCCC1)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438505	0	53	0.0	-77.08	417.36	4.65	-72.43
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[NH+](C2CC2)CC1	REAL300030438529	0	56	0.0	-75.87	421.82	5.47	-70.40
O=C(CC[NH+]1CCCC1)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438552	0	52	0.0	-74.58	405.13	4.10	-70.48
C[N@@H+]1CC2CC1(C(=O)NC1CC3(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030438600	0	50	0.0	-79.00	387.71	3.46	-75.54
O=C(C[N@@H+]1CC2CCC1C2)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438614	0	53	0.0	-73.01	399.79	4.28	-68.73
O=C(C[N@H+]1CC2CCC1C2)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438614	1	53	0.0	-73.01	399.79	4.28	-68.73
O=C(C=C1C[NH+]2CCC1CC2)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438655	0	54	0.0	-69.99	412.94	4.75	-65.24
O=C(CN1CC2C=CC1C2)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438665	0	51	0.0	-71.98	395.92	4.34	-67.64
O=C(C[N@@H+]1CC2C=CC1C2)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438665	1	51	0.0	-69.73	390.82	4.45	-65.28
O=C(C[N@H+]1CC2C=CC1C2)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438665	1	51	0.0	-69.73	390.82	4.45	-65.28
CC(C[NH+](C)C)C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438717	0	51	0.0	-75.09	394.10	3.63	-71.46
C[N@@H+]1CCCCC1CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438795	0	55	0.0	-69.65	411.54	4.79	-64.86
C[N@H+]1CCCCC1CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438795	1	55	0.0	-69.65	411.54	4.79	-64.86
CC1=C2C=C(C(=O)NC3CC4(C3)CCN(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=N1	REAL300030438811	0	50	0.0	-77.42	409.15	6.43	-70.99
CC1=C2C=C(C(=O)NC3CC4(C3)CCN(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300030438811	1	50	0.0	-77.42	409.15	6.43	-70.99
CC1CCN1CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438815	0	49	0.0	-73.66	381.22	3.16	-70.50
CC1CC[N@@H+]1CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438815	1	49	0.0	-72.80	388.11	3.43	-69.37
CC1CC[N@H+]1CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438815	1	49	0.0	-72.80	388.11	3.43	-69.37
C[NH+](C)CC(O)CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438820	0	52	0.0	-78.53	408.40	1.36	-77.17
CC1C[N@H+](C)CC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030438848	1	53	0.0	-86.72	407.30	3.51	-83.21
CC1C[N@@H+](C)CC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030438848	1	53	0.0	-86.39	415.41	3.53	-82.86
O=C(CC[NH+]1CCC(O)CC1)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438857	0	56	0.0	-77.95	431.89	1.42	-76.53
CCC[N@@H+]1CCCCC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438859	0	58	0.0	-72.75	427.29	5.16	-67.59
CCC[N@H+]1CCCCC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438859	1	58	0.0	-70.53	436.97	5.36	-65.17
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030438938	0	52	0.0	-68.65	401.45	4.28	-64.37
CC(CC[NH+](C)C)C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438946	0	54	0.0	-75.01	415.74	4.26	-70.75
C[N@H+](CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300030438967	0	56	0.0	-71.82	426.70	1.58	-70.24
C[N@@H+](CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300030438967	1	56	0.0	-71.65	421.27	1.96	-69.69
C#CC[N@H+]1CCCCC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438976	1	54	0.0	-64.33	418.27	5.32	-59.01
C#CC[N@@H+]1CCCCC1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438976	1	54	0.0	-70.63	408.91	5.25	-65.38
C[NH+]1CCN(CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030438979	1	54	0.0	-69.51	410.01	2.03	-67.48
CC[NH+]1CCN(CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030438988	0	57	0.0	-68.26	427.25	2.67	-65.59
NC(=[NH2+])SCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030439014	0	43	0.0	-75.86	363.62	-0.68	-76.54
CC[N@@H+]1CCOCC1CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030439051	0	56	0.0	-79.67	423.26	2.83	-76.84
C[NH+](C)C1CCC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030439067	0	58	0.0	-73.13	429.09	5.05	-68.08
C[NH+](C)CCC1(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030439068	0	55	0.0	-81.34	431.02	4.89	-76.45
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030439070	0	58	0.0	-65.79	423.28	5.21	-60.58
C[N@@H+]1CC=CCC1CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030439071	0	53	0.0	-68.46	397.96	4.55	-63.91
C[N@H+]1CC=CCC1CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030439071	1	53	0.0	-68.46	397.96	4.55	-63.91
C[C@@H](OCC[NH+](C)C)C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030439094	0	55	0.0	-73.95	431.12	4.08	-69.87
C[NH+]1C2CCC1CC(C(=O)NC1CC3(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030439122	0	56	0.0	-73.30	398.48	4.81	-68.49
CC(C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCSCC1	REAL300030439232	1	53	0.0	-75.07	414.88	4.37	-70.70
CCC1C[NH+](CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030439234	1	52	0.0	-76.78	408.10	4.23	-72.55
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1([NH+]2CCCC2)CCC1	REAL300030439236	0	56	0.0	-79.04	416.68	5.03	-74.01
C[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030439245	1	49	0.0	-74.59	376.78	2.92	-71.67
O=C(CC[N@@H+]1CCC(F)C1)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030439252	1	52	0.0	-72.85	406.89	4.41	-68.44
COC1C[N@@H+](C)C(C)(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030439260	1	56	0.0	-65.92	421.70	3.19	-62.73
O=C(CC[NH+]1CCCCCC1)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030439269	0	58	0.0	-76.62	430.98	5.02	-71.60
O=C(C[NH+]1CCCCC1)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030439271	0	52	0.0	-73.39	398.91	4.25	-69.14
CC1C(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030439281	0	52	0.0	-79.27	392.03	3.32	-75.95
CC1C(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030439281	1	52	0.0	-76.35	393.58	3.35	-73.00
C[N@@H+]1CCCCC1CCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030439283	0	58	0.0	-74.55	436.51	5.28	-69.27
C[N@H+]1CCCCC1CCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030439283	1	58	0.0	-77.68	430.75	5.11	-72.57
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@@H+]2CCOCC12	REAL300030439313	0	54	0.0	-66.42	405.91	2.82	-63.60
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@H+]2CCOCC12	REAL300030439313	1	54	0.0	-72.36	411.88	2.68	-69.68
CC1=[NH+]C=C2C=CC(C(=O)NC3CC4(C3)CCN(C(=O)C3=CC(=O)[N-]O3)C4)=CN21	REAL300030439318	0	50	0.0	-71.41	408.39	5.65	-65.76
CN1CCOCC1CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030439335	0	53	0.0	-78.28	402.42	2.37	-75.91
C[N@@H+]1CCOCC1CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030439335	1	53	0.0	-79.50	407.40	2.18	-77.32
C[N@H+]1CCOCC1CC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030439335	1	53	0.0	-78.28	402.42	2.37	-75.91
CC1=C(C)[NH+]=C(CCC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300030439343	1	53	0.0	-69.22	427.04	3.65	-65.57
C[N@H+]1CCCC1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030439515	1	49	0.0	-65.13	375.28	3.52	-61.61
CN1CCOC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030439541	0	50	0.0	-73.80	379.24	2.77	-71.03
C[N@@H+]1CCOC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030439541	1	50	0.0	-73.35	384.45	2.56	-70.79
C[N@H+]1CCOC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030439541	1	50	0.0	-73.80	379.24	2.77	-71.03
CC1=[NH+]C=CN1CCCC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030439703	1	53	0.0	-69.30	430.69	5.43	-63.87
C[NH+](C)CC1=CC=C(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C=C1	REAL300030439708	0	55	0.0	-81.31	431.80	5.48	-75.83
O=C(CC[NH+]1CCOCC1)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030439709	1	53	0.0	-75.52	414.98	2.53	-72.99
O=C(NC1CC2(C1)CCN(C(=O)C13CCC[NH+]1CCC3)C2)C1=CC(=O)[N-]O1	REAL300030439734	0	53	0.0	-68.83	395.82	3.85	-64.98
O=C(NC1CC2(C1)CCN(C(=O)C1=CC3=C[NH+]=CN3C=C1)C2)C1=CC(=O)[N-]O1	REAL300030439744	1	47	0.0	-76.84	394.49	5.89	-70.95
C[NH+](C)C1CCCC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030439804	0	58	0.0	-65.93	428.83	5.14	-60.79
C[N@@H+]1CCC(CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030439807	0	52	0.0	-74.94	405.17	4.08	-70.86
C[N@H+]1CCC(CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030439807	1	52	0.0	-73.82	406.04	4.11	-69.71
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030439819	0	51	0.0	-78.98	409.81	2.31	-76.67
CCC(C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030439824	0	51	0.0	-70.30	382.79	3.73	-66.57
C[NH+](C)CCCCC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030439891	0	54	0.0	-74.52	425.08	4.66	-69.86
CC(C)C(C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030439913	0	54	0.0	-69.03	398.85	4.22	-64.81
CCC[N@H+](C)CCC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030439915	0	54	0.0	-75.39	416.25	4.68	-70.71
CCC[N@@H+](C)CCC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030439915	1	54	0.0	-73.42	421.31	4.48	-68.94
CCC[N@H+](C)CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030439921	0	51	0.0	-71.53	393.88	4.11	-67.42
CCC[N@@H+](C)CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030439921	1	51	0.0	-70.53	398.95	3.91	-66.62
O=C(NC1CC2(C1)CCN(C(=O)C13CC[N@H+](C1)CCC3)C2)C1=CC(=O)[N-]O1	REAL300030439945	0	53	0.0	-82.44	385.95	3.49	-78.95
O=C(NC1CC2(C1)CCN(C(=O)C13CC[N@@H+](C1)CCC3)C2)C1=CC(=O)[N-]O1	REAL300030439945	1	53	0.0	-76.77	386.89	3.42	-73.35
CCCCCC[N@H+](C)CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030439981	0	60	0.0	-72.83	458.38	6.44	-66.39
CCCCCC[N@@H+](C)CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030439981	1	60	0.0	-72.72	458.38	6.45	-66.27
CC[NH+](CC)C(C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)C(C)C	REAL300030439986	0	60	0.0	-66.71	422.21	4.67	-62.04
CC1CC[NH+](CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030440019	0	55	0.0	-70.80	422.64	4.98	-65.82
C[NH+]1CCC(OCC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030440047	0	56	0.0	-78.41	439.67	4.66	-73.75
O=C(NC1CC2(C1)CCN(C(=O)C1CC3CCCC[N@@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300030440092	0	56	0.0	-73.73	422.41	5.05	-68.68
O=C(NC1CC2(C1)CCN(C(=O)C1CC3CCCC[N@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300030440092	1	56	0.0	-76.84	423.34	4.99	-71.85
C[NH+](C)CC1(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030440103	0	52	0.0	-73.27	407.60	4.08	-69.19
CC1=[NH+]C=C2CCC(C(=O)N3CCC4(CC(NC(=O)C5=CC(=O)[N-]O5)C4)C3)CN21	REAL300030440104	1	54	0.0	-63.97	427.69	5.09	-58.88
CC(C)[NH+]1CCC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030440115	0	58	0.0	-75.80	428.93	5.17	-70.63
CC[N@H+](C)CCC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030440140	0	51	0.0	-72.83	399.82	3.75	-69.08
CC[N@@H+](C)CCC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030440140	1	51	0.0	-74.60	394.75	3.93	-70.67
CC(C)(C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCCCC1	REAL300030440166	0	58	0.0	-67.50	420.91	4.74	-62.76
O=C(NC1CC2(C1)CCN(C(=O)C1C[NH+]3CCC1CC3)C2)C1=CC(=O)[N-]O1	REAL300030440176	0	53	0.0	-80.23	397.29	4.05	-76.18
C[NH+]1CCC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030440256	0	52	0.0	-74.10	393.61	4.06	-70.04
CC(C)[C@H](C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030440274	0	54	0.0	-67.12	399.53	3.87	-63.25
CC[NH+](CC)CC(F)C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030440369	0	54	0.0	-73.47	410.58	4.22	-69.25
CC(C)C[N@@H+]1CCC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030440404	0	58	0.0	-70.53	439.95	5.31	-65.22
CC(C)C[N@H+]1CCC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030440404	1	58	0.0	-74.48	442.27	5.35	-69.13
C[NH+](C)C1(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CCC1	REAL300030440408	0	52	0.0	-70.28	386.50	3.41	-66.87
CCC(C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](CC)CC	REAL300030440439	0	57	0.0	-64.75	414.37	4.81	-59.94
CC1CCC[N@@H+]1CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030440459	0	52	0.0	-67.18	398.39	3.88	-63.30
CC1CCC[N@H+]1CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030440459	1	52	0.0	-70.52	403.52	4.22	-66.30
CC(C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCCCCC1	REAL300030440529	0	58	0.0	-67.73	422.42	5.08	-62.65
CC(C)[N@@H+]1CCCCC1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030440531	0	58	0.0	-66.57	430.27	4.92	-61.65
CC(C)[N@H+]1CCCCC1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030440531	1	58	0.0	-66.90	430.29	4.93	-61.97
CC(C)[N@@H+]1CCCC1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030440552	0	55	0.0	-66.95	409.64	4.72	-62.23
CC(C)[N@H+]1CCCC1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030440552	1	55	0.0	-68.79	410.22	4.92	-63.87
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030440558	0	58	0.0	-66.75	429.54	4.61	-62.14
CC(C)[N@H+]1CCCC1CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030440558	1	58	0.0	-66.93	429.13	4.60	-62.33
CC(C)[C@@H](C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030440573	0	54	0.0	-72.58	402.47	4.36	-68.22
CC1CC[N@H+](CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030440594	0	52	0.0	-69.55	405.04	4.17	-65.38
CC1CC[N@@H+](CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030440594	1	52	0.0	-66.90	400.12	4.47	-62.43
CC1=[NH+]C=C2CC(C(=O)N3CCC4(CC(NC(=O)C5=CC(=O)[N-]O5)C4)C3)CCN21	REAL300030440596	1	54	0.0	-73.50	423.16	4.95	-68.55
CC1(C)CC[N@H+](CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030440599	0	55	0.0	-71.12	420.21	4.94	-66.18
CC1(C)CC[N@@H+](CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030440599	1	55	0.0	-72.72	423.97	4.70	-68.02
C[N@H+](CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)CC(C)(C)C	REAL300030440600	0	57	0.0	-71.56	422.49	5.10	-66.46
C[N@@H+](CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)CC(C)(C)C	REAL300030440600	1	57	0.0	-70.39	429.50	5.05	-65.34
CC[C@@H](C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030440609	0	51	0.0	-69.94	385.32	3.32	-66.62
CN(CCC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=[NH+]C=C1	REAL300030440736	0	54	0.0	-71.95	429.12	4.37	-67.58
CC1=[NH+]C=CN1CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030440820	1	47	0.0	-68.30	383.05	4.25	-64.05
CC(C[NH+]1CCOCC1)C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030440822	0	56	0.0	-76.02	425.88	3.26	-72.76
O=C(CCC[NH+]1CCCCC1)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030440839	0	58	0.0	-72.54	445.22	5.77	-66.77
C[NH+](C)CC1=CC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=NO1	REAL300030440857	1	51	0.0	-81.47	414.58	3.71	-77.76
CC1=C(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C=CC2=C[NH+]=CN21	REAL300030440858	0	50	0.0	-69.67	406.76	6.36	-63.31
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030440893	1	53	0.0	-65.91	425.37	5.22	-60.69
O=C(NC1CC2(C1)CCN(C(=O)C1CCCC3CCC[N@@H+]31)C2)C1=CC(=O)[N-]O1	REAL300030440929	0	56	0.0	-66.61	425.56	5.20	-61.41
O=C(NC1CC2(C1)CCN(C(=O)C1CCCC3CCC[N@H+]31)C2)C1=CC(=O)[N-]O1	REAL300030440929	1	56	0.0	-66.58	418.55	5.00	-61.58
CC[N@@H+]1CCOC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030440951	1	53	0.0	-75.30	401.94	3.22	-72.08
CC[N@H+]1CCOC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030440951	1	53	0.0	-75.49	397.58	3.41	-72.08
O=C(NC1CC2(C1)CCN(C(=O)C1=CN3C=[NH+]C=C3C=C1)C2)C1=CC(=O)[N-]O1	REAL300030441004	0	47	0.0	-76.18	394.38	5.88	-70.30
CC1=C[NH+]=CN1CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030441009	1	47	0.0	-70.92	383.37	4.98	-65.94
C[C@@H]1[C@H](C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300030441025	0	52	0.0	-75.56	391.00	3.97	-71.59
C[C@@H]1[C@H](C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300030441025	1	52	0.0	-73.90	400.39	3.68	-70.22
CC[C@@H]1[C@@H](C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300030441030	0	55	0.0	-75.61	406.84	4.18	-71.43
CC[C@@H]1[C@@H](C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300030441030	1	55	0.0	-72.80	418.94	4.33	-68.47
CC1CCC(C)[NH+]1CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030441043	0	55	0.0	-66.49	416.42	4.37	-62.12
O=C(CCC[NH+]1CCCC1)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030441049	0	55	0.0	-74.19	424.49	5.25	-68.94
C[NH+](C)CC1=CC=CC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300030441050	0	55	0.0	-74.73	428.62	5.80	-68.93
C#CC[NH+]1CCC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030441056	0	54	0.0	-81.67	423.44	5.42	-76.25
O=C(CC[NH+]1CCCCC1)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030441057	0	55	0.0	-73.51	418.57	5.08	-68.43
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030441061	0	55	0.0	-64.37	426.74	5.88	-58.49
CC[N@@H+]1CCCCC1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030441065	0	55	0.0	-71.58	408.90	4.39	-67.19
CC[N@H+]1CCCCC1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030441065	1	55	0.0	-69.41	404.83	4.17	-65.24
C[NH+](C)C(C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=CC=C1	REAL300030441068	1	55	0.0	-70.15	423.79	5.84	-64.31
O=C(CN1C=[NH+]C2=C1CCCC2)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030441073	1	54	0.0	-70.65	426.79	6.78	-63.87
C[NH+](C)C1(CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CCCC1	REAL300030441109	0	58	0.0	-77.53	422.26	4.93	-72.60
C[N@H+](CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300030441274	0	52	0.0	-68.07	405.94	4.49	-63.58
C[N@@H+](CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300030441274	1	52	0.0	-68.33	401.29	4.70	-63.63
CC(C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1C(C)CCC1C	REAL300030441299	0	58	0.0	-67.84	411.34	4.42	-63.42
O=C(CCCC[NH+]1CCCC1)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030441312	0	58	0.0	-73.10	451.05	5.84	-67.26
C[N@H+](CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)CC1=CC=CC=C1	REAL300030441314	1	55	0.0	-74.90	431.82	6.31	-68.59
C[N@@H+](CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)CC1=CC=CC=C1	REAL300030441314	1	55	0.0	-76.40	431.31	6.28	-70.12
C[NH+]1CCC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030441325	0	52	0.0	-74.10	393.61	4.06	-70.04
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030441370	0	49	0.0	-68.47	378.29	2.97	-65.50
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030441370	1	49	0.0	-67.69	379.98	3.28	-64.41
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030441394	1	51	0.0	-65.43	399.89	4.41	-61.02
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030441394	1	51	0.0	-64.75	401.88	4.86	-59.89
C[N@@H+]1CCCC1CCC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030441400	0	55	0.0	-75.33	427.17	5.01	-70.32
C[N@H+]1CCCC1CCC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030441400	1	55	0.0	-73.95	420.31	4.50	-69.45
O=C(NC1CC2(C1)CCN(C(=O)C13CCC[NH+](CCC1)C3)C2)C1=CC(=O)[N-]O1	REAL300030441411	0	56	0.0	-74.11	401.12	4.32	-69.79
O=C(NC1CC2(C1)CCN(C(=O)C1CCC3CCCC[N@@H+]31)C2)C1=CC(=O)[N-]O1	REAL300030441418	0	56	0.0	-64.62	412.70	5.12	-59.50
O=C(NC1CC2(C1)CCN(C(=O)C1CCC3CCCC[N@H+]31)C2)C1=CC(=O)[N-]O1	REAL300030441418	1	56	0.0	-69.47	418.51	4.89	-64.58
CCC[N@@H+]1CCCC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030441491	0	58	0.0	-71.92	437.97	5.21	-66.71
CCC[N@H+]1CCCC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030441491	1	58	0.0	-72.63	437.98	5.21	-67.42
CC(C)[N@@H+]1CCOC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030441508	1	56	0.0	-72.79	419.23	3.72	-69.07
CC(C)[N@H+]1CCOC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030441508	1	56	0.0	-77.52	426.26	3.92	-73.60
C[N@@H+]1CCCCC1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030441539	0	52	0.0	-68.79	399.14	4.02	-64.77
C[N@H+]1CCCCC1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030441539	1	52	0.0	-66.16	399.22	4.00	-62.16
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030441563	0	58	0.0	-65.28	426.02	5.97	-59.31
CC(C)C[N@H+]1CCCC1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030441563	1	58	0.0	-71.06	435.89	5.06	-66.00
O=C(C[NH+]1CCC(CO)CC1)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030441578	0	56	0.0	-71.93	433.47	1.67	-70.26
CC1C(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300030441624	0	52	0.0	-69.61	395.47	4.20	-65.41
CC1C(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300030441624	1	52	0.0	-74.48	400.24	4.05	-70.43
C[N@@H+]1CCCCC1CCC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030441626	0	58	0.0	-74.08	433.68	5.25	-68.83
C[N@H+]1CCCCC1CCC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030441626	1	58	0.0	-78.38	428.61	5.44	-72.94
NC1=[NH+]C2=C(C=C1C(=O)N1CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C1)CCC2	REAL300030441658	1	52	0.0	-66.17	411.64	3.19	-62.98
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030441722	0	55	0.0	-70.70	398.12	3.58	-67.12
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030441722	1	55	0.0	-70.34	418.91	4.14	-66.20
C[C@@H](C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030441741	0	48	0.0	-69.56	376.66	2.86	-66.70
C[NH+](C)CC1=CC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=CC=N1	REAL300030441755	1	54	0.0	-70.97	423.06	4.29	-66.68
C=CCC(C)(C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030441759	0	55	0.0	-63.83	399.76	4.11	-59.72
O=C(CC[NH+]1CCCC1)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030441784	0	52	0.0	-72.23	408.05	4.25	-67.98
C[N@H+](CCO)CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030441794	1	49	0.0	-72.41	382.74	0.12	-72.29
C[N@@H+](CCO)CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030441794	1	49	0.0	-72.43	382.53	0.12	-72.31
O=C(NC1CC2(C1)CCN(C(=O)C1C[N@@H+]3CCN1CCC3)C2)C1=CC(=O)[N-]O1	REAL300030441832	0	55	0.0	-83.88	401.87	1.94	-81.94
O=C(NC1CC2(C1)CCN(C(=O)C1C[N@H+]3CCN1CCC3)C2)C1=CC(=O)[N-]O1	REAL300030441832	1	55	0.0	-78.53	396.75	2.10	-76.43
CC(C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCSCC1	REAL300030441854	1	53	0.0	-71.13	417.56	4.42	-66.71
C[N@H+]1CC=C(CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030441894	0	53	0.0	-70.69	413.78	5.03	-65.66
C[N@@H+]1CC=C(CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030441894	1	53	0.0	-70.49	418.86	4.86	-65.63
C[S+](C)CCC(O)C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030441909	0	51	0.0	-79.85	415.06	2.06	-77.79
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030441928	0	53	0.0	-65.32	396.11	0.33	-64.99
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030441928	1	53	0.0	-67.35	400.37	0.02	-67.33
CN1CC[N@H+](C)CC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030441941	0	57	0.0	-69.86	422.72	2.45	-67.41
CN1CC[N@@H+](C)CC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030441941	1	57	0.0	-69.78	429.36	2.40	-67.38
CC(C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[N@@H+]1CCCC(O)C1	REAL300030441942	0	56	0.0	-68.81	426.49	1.52	-67.29
CC(C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[N@H+]1CCCC(O)C1	REAL300030441942	1	56	0.0	-69.54	426.55	1.51	-68.03
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030441969	0	52	0.0	-67.39	414.39	3.49	-63.90
C[N@@H+]1CCCC(O)(CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030441975	0	56	0.0	-73.47	425.83	2.94	-70.53
C[N@H+]1CCCC(O)(CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030441975	1	56	0.0	-73.22	412.39	2.96	-70.26
CC1C[NH+](CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030441980	1	49	0.0	-70.71	391.01	3.60	-67.11
CC[N@@H+]1CCCC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030441987	0	55	0.0	-70.29	408.84	5.02	-65.27
CC[N@H+]1CCCC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030441987	1	55	0.0	-62.86	411.10	4.70	-58.16
NC1=[NH+]C=CC=C1CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030441993	0	48	0.0	-67.37	388.89	2.51	-64.86
O=C(NC1CC2(C1)CCN(C(=O)C1CCC[N@@H+]1C1CC1)C2)C1=CC(=O)[N-]O1	REAL300030442006	0	53	0.0	-71.56	410.84	4.43	-67.13
O=C(NC1CC2(C1)CCN(C(=O)C1CCC[N@H+]1C1CC1)C2)C1=CC(=O)[N-]O1	REAL300030442006	1	53	0.0	-71.06	407.48	4.27	-66.79
O=C(C=CC[NH+]1CCCC1)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442049	0	53	0.0	-77.34	414.50	4.94	-72.40
O=C(NC1CC2(C1)CCN(C(=O)C1CC[NH+](C3CC3)CC1)C2)C1=CC(=O)[N-]O1	REAL300030442072	0	56	0.0	-72.23	428.17	5.23	-67.00
CC[N@H+](C)CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442119	0	48	0.0	-71.29	372.39	3.35	-67.94
O=C(CN1CC2C=CC1C2)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442179	0	51	0.0	-68.10	392.99	4.50	-63.60
O=C(C[N@@H+]1CC2C=CC1C2)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442179	1	51	0.0	-69.34	397.72	4.32	-65.02
O=C(C[N@H+]1CC2C=CC1C2)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442179	1	51	0.0	-69.34	397.72	4.32	-65.02
CC1=CC=C(NCCC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)N=C1	REAL300030442201	0	54	0.0	-69.95	433.43	4.05	-65.90
CC1=CC=C(NCCC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)[NH+]=C1	REAL300030442201	1	54	0.0	-69.95	433.43	4.05	-65.90
O=C(NC1CC2(C1)CCN(C(=O)C13CCC[N@@H+]1CCCC3)C2)C1=CC(=O)[N-]O1	REAL300030442307	0	56	0.0	-66.73	406.42	4.22	-62.51
O=C(NC1CC2(C1)CCN(C(=O)C13CCC[N@H+]1CCCC3)C2)C1=CC(=O)[N-]O1	REAL300030442307	1	56	0.0	-66.73	406.42	4.22	-62.51
O=C(NC1CC2(C1)CCN(C(=O)C13CCC[N@@H+]1CC=CC3)C2)C1=CC(=O)[N-]O1	REAL300030442316	0	54	0.0	-67.63	399.53	4.16	-63.47
O=C(NC1CC2(C1)CCN(C(=O)C13CCC[N@H+]1CC=CC3)C2)C1=CC(=O)[N-]O1	REAL300030442316	1	54	0.0	-67.63	399.53	4.16	-63.47
CC(OCC[NH+](C)C)C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442327	0	55	0.0	-69.19	426.72	4.22	-64.97
C[NH+](C)CCOCCC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442337	0	55	0.0	-72.74	436.54	3.32	-69.42
COCCN(C)CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442339	0	52	0.0	-72.20	404.78	2.52	-69.68
COCC[N@H+](C)CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442339	1	52	0.0	-72.79	404.99	2.51	-70.28
COCC[N@@H+](C)CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442339	1	52	0.0	-72.79	404.99	2.51	-70.28
CC(CCC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030442345	0	54	0.0	-76.30	413.36	4.25	-72.05
CC[N@H+](CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300030442372	0	52	0.0	-68.86	401.07	4.40	-64.46
CC1C[N@@H+]2CCN1C(C(=O)N1CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300030442388	0	55	0.0	-72.17	395.49	3.37	-68.80
C[N@@H+]1CC2CC1(C(=O)N1CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300030442413	0	50	0.0	-73.46	386.75	3.75	-69.71
CC1=NC(N)=CC=C1C=CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442423	0	52	0.0	-71.63	423.94	3.15	-68.48
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442423	1	52	0.0	-71.63	423.94	3.15	-68.48
O=C(C[N@@H+]1CC2CCC1C2)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442430	0	53	0.0	-68.48	406.19	4.60	-63.88
O=C(C[N@H+]1CC2CCC1C2)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442430	1	53	0.0	-68.48	406.19	4.60	-63.88
CC(C[NH+](C)C)C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442452	0	51	0.0	-74.97	388.63	3.60	-71.37
CCN1CCC1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442504	0	49	0.0	-65.97	374.62	3.28	-62.69
CC[N@@H+]1CCC1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442504	1	49	0.0	-70.91	386.76	3.72	-67.19
CC[N@H+]1CCC1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442504	1	49	0.0	-70.91	386.76	3.72	-67.19
CC(C)[N@@H+]1CCCC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030442517	0	58	0.0	-61.15	423.33	5.54	-55.61
CC(C)[N@H+]1CCCC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030442517	1	58	0.0	-61.15	423.33	5.54	-55.61
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442532	0	57	0.0	-70.40	418.39	3.24	-67.16
C#CCN1CCCCC1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442576	0	54	0.0	-65.75	413.12	5.21	-60.54
C#CC[N@H+]1CCCCC1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442576	1	54	0.0	-72.16	416.44	4.95	-67.21
C#CC[N@@H+]1CCCCC1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442576	1	54	0.0	-72.16	416.44	4.95	-67.21
CNC1=NC(C)=CC=C1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442577	0	51	0.0	-61.41	402.19	3.37	-58.04
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442577	1	51	0.0	-61.41	402.19	3.37	-58.04
CCCC(C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030442587	0	54	0.0	-71.26	405.90	4.45	-66.81
C[NH+](C)C(C)(C)C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442594	0	51	0.0	-76.39	373.88	3.16	-73.23
CC(CC[NH+](C)C)C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442613	0	54	0.0	-75.26	410.27	4.22	-71.04
O=C(NC1CC2(C1)CCN(C(=O)C13CC(C1)C[N@@H+]3C1CC1)C2)C1=CC(=O)[N-]O1	REAL300030442684	0	54	0.0	-74.56	408.42	5.78	-68.78
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442723	0	55	0.0	-70.09	418.76	4.04	-66.05
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442723	1	55	0.0	-70.09	418.76	4.04	-66.05
C[NH+](C)CCCCCC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442728	0	57	0.0	-73.96	446.58	5.45	-68.51
O=C(CC[NH+]1CCC(O)CC1)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442732	0	56	0.0	-76.66	429.76	1.79	-74.87
CCC[N@@H+]1CCCCC1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442736	0	58	0.0	-69.85	431.46	5.15	-64.70
CCC[N@H+]1CCCCC1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442736	1	58	0.0	-69.85	431.46	5.15	-64.70
CN1CCN(CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030442746	0	54	0.0	-69.74	413.70	2.24	-67.50
C[NH+]1CCN(CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030442746	1	54	0.0	-69.74	413.70	2.24	-67.50
CC1C[N@H+](C)CC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300030442848	1	53	0.0	-86.72	402.01	3.70	-83.02
CC1C[N@@H+](C)CC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300030442848	1	53	0.0	-71.44	400.90	3.50	-67.94
CCC1CCC[N@H+](CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030442881	0	58	0.0	-71.65	431.90	5.11	-66.54
CCC1CCC[N@@H+](CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030442881	1	58	0.0	-70.49	440.66	5.61	-64.88
C[NH+](C)CC1=CC=C(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)N1	REAL300030442890	0	53	0.0	-87.32	416.31	4.05	-83.27
O=C(C[NH+]1CC2CC2C1)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442905	0	50	0.0	-70.38	395.18	4.39	-65.99
O=C(CC1([NH+]2CCCC2)CC1)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442918	0	56	0.0	-65.19	419.11	5.51	-59.68
C[N@@H+]1CCCCC1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442957	0	52	0.0	-68.79	399.14	4.02	-64.77
C[N@H+]1CCCCC1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442957	1	52	0.0	-66.16	399.22	4.00	-62.16
C[N@@H+]1CCC(=CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030443080	0	50	0.0	-72.63	391.92	4.27	-68.36
C[N@H+]1CCC(=CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030443080	1	50	0.0	-76.73	397.79	4.03	-72.70
O=C(CNC1=CC=[NH+]C=C1)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030443085	0	48	0.0	-74.34	390.28	1.89	-72.45
CC[NH+]1CCN(CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030443142	0	57	0.0	-73.31	434.65	2.59	-70.72
O=C(C=C1C[NH+]2CCC1CC2)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030443145	0	54	0.0	-67.99	415.37	4.88	-63.11
C[NH+](C)C1(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CCCC1	REAL300030443183	0	55	0.0	-77.34	398.85	4.00	-73.34
C[N@H+](CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[C@@H]1CCC[C@H]1O	REAL300030443194	0	56	0.0	-63.93	424.61	2.13	-61.80
C[N@@H+](CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[C@@H]1CCC[C@H]1O	REAL300030443194	1	56	0.0	-65.86	424.25	1.99	-63.87
CCC1C[NH+](CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030443200	0	52	0.0	-71.60	412.17	4.31	-67.29
O=C(NC1CC2(C1)CCN(C(=O)C1([NH+]3CCCC3)CCC1)C2)C1=CC(=O)[N-]O1	REAL300030443204	0	56	0.0	-74.17	413.51	4.73	-69.44
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030443218	0	49	0.0	-68.14	381.37	3.35	-64.79
C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030443218	1	49	0.0	-72.02	378.34	2.99	-69.03
CC[N@@H+]1CCOCC1CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030443249	0	56	0.0	-70.00	418.01	3.09	-66.91
NC1=NC2=CC(C(=O)N3CCC4(CC(NC(=O)C5=CC(=O)[N-]O5)C4)C3)=CC=C2N1	REAL300030443339	0	49	0.0	-74.73	397.81	3.24	-71.49
NC1=[NH+]C2=CC(C(=O)N3CCC4(CC(NC(=O)C5=CC(=O)[N-]O5)C4)C3)=CC=C2N1	REAL300030443339	1	49	0.0	-74.73	397.81	3.24	-71.49
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030443377	0	52	0.0	-74.24	407.97	4.19	-70.05
C[NH+](C)C1CCC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030443392	0	58	0.0	-58.90	432.64	5.36	-53.54
C[NH+](C)CCC1(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030443393	0	55	0.0	-78.00	429.65	4.80	-73.20
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030443395	0	58	0.0	-62.54	423.77	5.35	-57.19
C[N@@H+]1CC=CCC1CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030443396	0	53	0.0	-74.85	410.85	4.59	-70.26
C[N@H+]1CC=CCC1CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030443396	1	53	0.0	-74.85	410.85	4.59	-70.26
CC1=CC(C=CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=CN=C1N	REAL300030443446	0	52	0.0	-74.49	424.14	3.45	-71.04
CC1=CC(C=CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=C[NH+]=C1N	REAL300030443446	1	52	0.0	-74.49	424.14	3.45	-71.04
C[NH+](C)CCOCC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030443459	0	52	0.0	-71.14	415.59	3.62	-67.52
CCCCC[N@H+](C)CCC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030443465	0	60	0.0	-74.35	464.31	6.04	-68.31
CCCCC[N@@H+](C)CCC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030443465	1	60	0.0	-74.35	464.31	6.04	-68.31
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300030443477	0	56	0.0	-73.16	435.17	4.34	-68.82
[NH2+]=C1SC=CN1CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030443502	0	45	0.0	-67.74	381.72	2.86	-64.88
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030443576	0	55	0.0	-68.07	425.11	4.28	-63.79
O=C(CC[NH+]1CCCCCC1)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030443620	0	58	0.0	-76.08	428.59	5.28	-70.80
O=C(C[NH+]1CCCCC1)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030443624	0	52	0.0	-69.84	401.45	4.36	-65.48
C[N@@H+]1CCCC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030443626	0	52	0.0	-73.60	388.92	4.11	-69.49
C[N@H+]1CCCC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030443626	1	52	0.0	-56.14	388.39	4.23	-51.91
O=C(C[NH+]1CCC(CO)CC1)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030443627	0	56	0.0	-71.93	433.47	1.67	-70.26
O=C(C[NH+]1CCCCCC1)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030443630	0	55	0.0	-71.85	407.86	5.09	-66.76
CN1C=C[N+](CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300030443635	0	47	0.0	-69.17	385.89	6.20	-62.97
C[NH+](C)CC1=CC=C(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300030443653	1	52	0.0	-73.82	415.56	4.60	-69.22
C[NH+](C)CC1=CC=C(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C=N1	REAL300030443659	0	54	0.0	-73.50	424.36	4.27	-69.23
O=C(C[NH+]1CCC(O)CC1)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030443673	1	53	0.0	-75.01	412.88	1.02	-73.99
C[N@@H+](CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300030443678	1	49	0.0	-68.78	383.97	4.04	-64.74
CC(C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)N1CC[NH+](C)CC1	REAL300030443680	1	57	0.0	-74.32	428.31	2.13	-72.19
O=C(CC[N@@H+]1CCC(F)C1)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030443683	1	52	0.0	-79.24	413.76	4.29	-74.95
COC1C[N@@H+](C)C(C)(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030443694	1	56	0.0	-63.52	418.11	2.69	-60.83
CC(CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300030443714	0	54	0.0	-73.38	416.90	4.52	-68.86
O=C(NC1CC2(C1)CCN(C(=O)C1CC[N@@H+]3CCOCC13)C2)C1=CC(=O)[N-]O1	REAL300030443730	0	54	0.0	-72.16	413.07	2.57	-69.59
O=C(NC1CC2(C1)CCN(C(=O)C1CC[N@H+]3CCOCC13)C2)C1=CC(=O)[N-]O1	REAL300030443730	1	54	0.0	-68.61	405.71	2.85	-65.76
CC1=[NH+]C=C2C=CC(C(=O)N3CCC4(CC(NC(=O)C5=CC(=O)[N-]O5)C4)C3)=CN21	REAL300030443735	0	50	0.0	-72.95	410.45	5.92	-67.03
CN1CCOCC1CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030443752	0	53	0.0	-77.74	410.28	2.36	-75.38
C[N@@H+]1CCOCC1CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030443752	1	53	0.0	-80.81	408.65	2.29	-78.52
C[N@H+]1CCOCC1CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030443752	1	53	0.0	-77.74	410.28	2.36	-75.38
CC[NH+]1CCN(CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030443760	0	57	0.0	-73.31	434.65	2.59	-70.72
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030443815	1	48	0.0	-71.26	388.95	1.72	-69.54
NC1=CC=C(CCC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C=[NH+]1	REAL300030443818	0	51	0.0	-70.54	418.73	3.03	-67.51
CC1(O)CC[N@H+](CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030443859	0	53	0.0	-66.80	409.98	1.15	-65.65
CC1(O)CC[N@@H+](CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030443859	1	53	0.0	-71.06	416.12	0.90	-70.16
C[NH+]1CC(CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030443894	0	49	0.0	-74.19	385.78	3.44	-70.75
O=C(NC1CC2(C1)CCN(C(=O)C1CC[N@@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300030443899	0	56	0.0	-71.41	418.36	5.07	-66.34
O=C(NC1CC2(C1)CCN(C(=O)C1CC[N@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300030443899	1	56	0.0	-72.02	430.24	5.26	-66.76
C[NH+](C)CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030443907	0	45	0.0	-71.06	359.72	2.50	-68.56
C[N@H+](CCO)CCC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030443936	0	52	0.0	-72.27	410.17	0.52	-71.75
C[N@@H+](CCO)CCC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030443936	1	52	0.0	-73.65	405.06	0.70	-72.95
C[C@@H](C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030443937	0	48	0.0	-69.56	376.66	2.86	-66.70
C[N@@H+]1CCCCC1CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030443959	0	55	0.0	-77.02	417.26	4.65	-72.37
C[N@H+]1CCCCC1CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030443959	1	55	0.0	-63.15	411.44	4.58	-58.57
CC1=C2C=C(C(=O)N3CCC4(CC(NC(=O)C5=CC(=O)[N-]O5)C4)C3)C=CN2C=[NH+]1	REAL300030443981	1	50	0.0	-69.89	411.14	6.72	-63.17
CC(C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CC(C)C1	REAL300030443982	0	52	0.0	-65.16	402.44	4.17	-60.99
CC1CC[N@@H+]1CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030443986	1	49	0.0	-69.50	380.40	3.49	-66.01
CC1CC[N@H+]1CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030443986	1	49	0.0	-71.33	384.12	3.24	-68.09
C[NH+](C)CC=CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030444000	0	49	0.0	-76.63	394.94	3.68	-72.95
CC1(C)C[NH+](CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030444013	1	52	0.0	-73.69	408.78	4.03	-69.66
CC1=C(C)[NH+]=C(CCC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)N1	REAL300030444032	1	53	0.0	-66.85	429.95	3.81	-63.04
CC1=C2C=C(C(=O)N3CCC4(CC(NC(=O)C5=CC(=O)[N-]O5)C4)C3)C=CN2C=[NH+]1	REAL300030444043	1	50	0.0	-69.89	411.14	6.72	-63.17
C[NH+](C)CCSCC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030444053	0	52	0.0	-77.68	426.62	4.46	-73.22
O=C(C[N@H+]1CCCC1CO)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030444079	0	53	0.0	-72.26	408.02	0.50	-71.76
O=C(C[N@@H+]1CCCC1CO)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030444079	1	53	0.0	-69.48	405.56	1.04	-68.44
CC[NH+](CC)CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030444083	0	51	0.0	-69.83	386.24	3.75	-66.08
C[N@H+](CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCSC1	REAL300030444094	0	53	0.0	-75.23	414.05	4.87	-70.36
C[N@@H+](CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCSC1	REAL300030444094	1	53	0.0	-75.54	418.99	4.75	-70.79
O=C(C[NH+]1CCC1)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030444096	1	46	0.0	-70.94	370.02	2.98	-67.96
CC[NH+](CC)CCC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030444147	0	54	0.0	-72.05	413.32	4.17	-67.88
C[NH+](C)CC1=CNC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300030444214	0	53	0.0	-73.46	415.64	4.13	-69.33
CC(C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCC(O)CC1	REAL300030444233	0	56	0.0	-70.31	428.41	1.31	-69.00
O=C(NC1CC2(C1)CCN(C(=O)C1CC3COCC[N@@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300030444239	0	54	0.0	-72.82	414.22	2.71	-70.11
O=C(NC1CC2(C1)CCN(C(=O)C1CC3COCC[N@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300030444239	1	54	0.0	-74.12	414.33	2.65	-71.47
CC(C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCC1	REAL300030444254	1	49	0.0	-71.14	382.20	3.22	-67.92
CCC(CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300030444261	0	57	0.0	-74.40	430.75	5.00	-69.40
NC1=CC=C(C=CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C=[NH+]1	REAL300030444268	0	49	0.0	-75.47	406.33	2.69	-72.78
C[NH+](C)CC(C)(C)C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030444269	0	54	0.0	-71.87	399.38	3.66	-68.21
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030444333	0	52	0.0	-65.96	382.72	3.81	-62.15
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030444333	1	52	0.0	-66.14	399.21	3.99	-62.15
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030444348	0	55	0.0	-74.63	408.33	1.12	-73.51
CC1CN2CC[N@H+]1CC2C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030444348	1	55	0.0	-80.91	403.28	1.31	-79.60
C[NH+](C)CC(O)CC(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030444369	0	52	0.0	-76.58	412.31	1.57	-75.01
C[NH+]1C2CCC1CC(C(=O)N1CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300030444372	0	56	0.0	-71.29	390.18	4.63	-66.66
C=CCC(C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030444405	0	52	0.0	-71.56	397.69	4.17	-67.39
O=C(NC1CC2(C1)CCN(C(=O)C1CC3CCCC[N@@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300030444415	0	56	0.0	-73.73	422.41	5.05	-68.68
O=C(NC1CC2(C1)CCN(C(=O)C1CC3CCCC[N@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300030444415	1	56	0.0	-76.84	423.34	4.99	-71.85
C[NH+]1CCC(C)(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030444426	0	55	0.0	-71.05	406.26	4.01	-67.04
C[NH+]1CCC(O)(CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030444428	0	56	0.0	-76.33	429.24	2.84	-73.49
CC1=C2C=C(C(=O)NC3CC4(C3)CCN(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300030444510	1	50	0.0	-77.42	409.15	6.43	-70.99
C[NH+](C)CCSCC(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030444519	0	52	0.0	-79.20	422.59	4.31	-74.89
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2COCC[N@@H+]2C1	REAL300030444527	0	54	0.0	-75.12	415.17	2.73	-72.39
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2COCC[N@H+]2C1	REAL300030444527	1	54	0.0	-67.50	409.30	2.88	-64.62
CN1C=NC=C1[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CNC(=O)C[NH+](C)C	REAL300030444685	0	51	0.0	-75.07	406.74	3.77	-71.30
C[C@@H](C(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1=CN=CN1C)[NH+](C)C	REAL300030444693	0	54	0.0	-79.03	424.20	4.15	-74.88
C[C@@H](C(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1=CN=CN1C)[NH+](C)C	REAL300030444708	0	54	0.0	-79.03	424.20	4.15	-74.88
CN1C=NC=C1[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CNC(=O)C[NH+]1CCC1	REAL300030444717	1	52	0.0	-80.47	416.29	4.17	-76.30
C[C@H](C(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1=CN=CN1C)[NH+](C)C	REAL300030444722	0	54	0.0	-73.29	424.99	4.17	-69.12
CC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1=CN=CN1C	REAL300030444735	0	54	0.0	-74.23	424.46	4.43	-69.80
CC[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1=CN=CN1C	REAL300030444735	1	54	0.0	-74.33	424.47	4.44	-69.89
C[C@@H](C(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C2=CN=CN2C)C1)[NH+](C)C	REAL300030444977	0	54	0.0	-75.54	425.38	4.16	-71.38
CC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C2=CN=CN2C)C1	REAL300030445000	0	54	0.0	-78.82	426.67	4.60	-74.22
CC[N@@H+](C)CC(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C2=CN=CN2C)C1	REAL300030445000	1	54	0.0	-77.81	426.79	4.63	-73.18
C[C@H](C(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C2=CN=CN2C)C1)[NH+](C)C	REAL300030445018	0	54	0.0	-77.25	426.24	4.29	-72.96
CN1C=NC=C1[C@@H]1CN(C(=O)C[NH+](C)C)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300030445090	0	51	0.0	-74.89	409.36	3.84	-71.05
C[C@@H](C(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C2=CN=CN2C)C1)[NH+](C)C	REAL300030445093	0	54	0.0	-75.54	425.38	4.16	-71.38
CN1C=NC=C1[C@@H]1CN(C(=O)C[NH+]2CCC2)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300030445100	1	52	0.0	-75.02	419.69	4.33	-70.69
C[N@@H+]1CCCC1C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030445286	0	52	0.0	-68.57	384.96	3.99	-64.58
C[N@H+]1CCCC1C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030445286	1	52	0.0	-77.07	377.57	3.57	-73.50
C[N@@H+]1CCOC(C(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)C1	REAL300030445310	1	53	0.0	-83.91	395.68	3.69	-80.22
C[N@H+]1CCOC(C(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)C1	REAL300030445310	1	53	0.0	-82.43	388.13	3.30	-79.13
CC(C)[N@@H+]1CCCC1C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030445466	0	58	0.0	-74.94	406.66	5.13	-69.81
CC(C)[N@H+]1CCCC1C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030445466	1	58	0.0	-67.58	416.76	5.11	-62.47
CC1=[NH+]C=CN1CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030445499	1	50	0.0	-70.46	394.49	5.00	-65.46
O=C(NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)C1C[NH+]2CCC1CC2	REAL300030445527	0	56	0.0	-82.47	399.48	4.81	-77.66
C[C@@H]1[C@H](C(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)CC[N@@H+]1C	REAL300030445561	0	55	0.0	-79.70	401.24	4.39	-75.31
C[C@@H]1[C@H](C(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)CC[N@H+]1C	REAL300030445561	1	55	0.0	-77.81	408.05	4.85	-72.96
CC[C@@H]1[C@@H](C(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)CC[N@@H+]1C	REAL300030445563	0	58	0.0	-72.82	414.75	4.67	-68.15
CC[C@@H]1[C@@H](C(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)CC[N@H+]1C	REAL300030445563	1	58	0.0	-76.28	423.75	5.25	-71.03
CC[N@@H+]1CCOC(C(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)C1	REAL300030445570	1	56	0.0	-70.44	414.07	4.29	-66.15
CC[N@H+]1CCOC(C(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)C1	REAL300030445570	1	56	0.0	-69.09	413.50	4.34	-64.75
CC[NH+](CC)CC(F)C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030445598	0	57	0.0	-77.60	426.99	5.30	-72.30
CC1CCC(C)[NH+]1CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030445634	0	58	0.0	-68.95	415.86	5.02	-63.93
O=C(CCC[NH+]1CCCC1)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030445637	0	58	0.0	-74.48	434.89	5.92	-68.56
O=C(CC[NH+]1CCCCC1)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030445640	0	58	0.0	-77.19	421.62	5.38	-71.81
CC[N@@H+]1CCCCC1C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030445643	0	58	0.0	-67.61	426.13	5.60	-62.01
CC[N@H+]1CCCCC1C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030445643	1	58	0.0	-71.28	415.29	5.53	-65.75
C[NH+](C)C1(C(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)CCC1	REAL300030445654	0	55	0.0	-80.35	391.27	4.12	-76.23
CC(C)[C@@H](C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)[NH+](C)C	REAL300030445661	0	57	0.0	-74.58	401.90	4.56	-70.02
C[N@H+](CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)C1CCC1	REAL300030445686	0	55	0.0	-75.29	404.29	4.96	-70.33
C[N@@H+](CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)C1CCC1	REAL300030445686	1	55	0.0	-75.42	404.20	4.95	-70.47
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030445762	1	54	0.0	-69.13	412.29	5.12	-64.01
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030445762	1	54	0.0	-70.24	417.94	5.70	-64.54
C[N@@H+]1CCCC1CCC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030445767	0	58	0.0	-73.55	421.33	5.32	-68.23
C[N@H+]1CCCC1CCC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030445767	1	58	0.0	-71.38	419.64	5.02	-66.36
C[NH+]1CCC(C(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)CC1	REAL300030445787	0	55	0.0	-77.63	410.25	5.03	-72.60
C[N@@H+]1CCCCC1C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030445826	0	55	0.0	-73.58	399.57	4.61	-68.97
C[N@H+]1CCCCC1C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030445826	1	55	0.0	-70.10	390.77	4.41	-65.69
O=C(NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)C1=CN2C=[NH+]C=C2C=C1	REAL300030445896	0	50	0.0	-76.08	388.24	6.49	-69.59
O=C(CC[NH+]1CCOCC1)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030445903	1	56	0.0	-76.79	420.33	3.39	-73.40
CC1=C[NH+]=CN1CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030445916	1	50	0.0	-75.75	387.83	5.32	-70.43
O=C(NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)C12CCC[NH+]1CCC2	REAL300030445937	0	56	0.0	-77.67	402.91	4.98	-72.69
C[N@@H+]1CCC(CC(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)C1	REAL300030445948	0	55	0.0	-75.02	411.50	4.98	-70.04
C[N@H+]1CCC(CC(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)C1	REAL300030445948	1	55	0.0	-73.59	404.08	4.58	-69.01
CN(C)C1=CC=[NH+]C=C1C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030445954	0	54	0.0	-83.95	417.06	4.15	-79.80
CCC(C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)[NH+](C)C	REAL300030445956	0	54	0.0	-67.88	395.71	4.39	-63.49
O=C(NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)C1=CC2=C[NH+]=CN2C=C1	REAL300030445983	1	50	0.0	-75.34	388.61	6.49	-68.85
C[NH+](C)CCCCC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446015	0	57	0.0	-77.10	430.42	5.53	-71.57
CC(C)C(C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)[NH+](C)C	REAL300030446029	0	57	0.0	-68.91	412.44	5.62	-63.29
CCC[N@H+](C)CCC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446030	0	57	0.0	-78.31	419.67	4.93	-73.38
CCC[N@@H+](C)CCC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446030	1	57	0.0	-75.40	426.65	5.34	-70.06
CCC[N@H+](C)CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446034	0	54	0.0	-73.00	404.92	4.77	-68.23
CCC[N@@H+](C)CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446034	1	54	0.0	-77.42	397.31	4.40	-73.02
O=C(NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)C12CC[N@H+](C1)CCC2	REAL300030446049	0	56	0.0	-76.56	407.22	4.62	-71.94
O=C(NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)C12CC[N@@H+](C1)CCC2	REAL300030446049	1	56	0.0	-82.44	406.85	4.68	-77.76
C[N@@H+]1CCC[C@@H]1C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446075	0	52	0.0	-75.61	385.37	3.94	-71.67
C[N@H+]1CCC[C@@H]1C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446075	1	52	0.0	-69.31	383.05	4.03	-65.28
CC[NH+](CC)CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446110	0	54	0.0	-70.43	396.64	4.48	-65.95
CC1CC[NH+](CC(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)CC1	REAL300030446171	0	58	0.0	-72.72	428.02	5.89	-66.83
C[NH+](C)CC1(C(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)CC1	REAL300030446193	0	55	0.0	-63.34	416.11	5.13	-58.21
C[NH+]1CCC(C(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)CC1	REAL300030446246	0	55	0.0	-77.63	410.25	5.03	-72.60
CC(C)[C@H](C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)[NH+](C)C	REAL300030446262	0	57	0.0	-74.53	407.32	5.20	-69.33
CCC(C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)[NH+](CC)CC	REAL300030446290	0	60	0.0	-67.51	431.23	5.69	-61.82
CC[N@H+](C)CCC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446331	0	54	0.0	-74.54	405.15	4.60	-69.94
CC[N@@H+](C)CCC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446331	1	54	0.0	-77.68	398.17	4.19	-73.49
CC1CCC[N@@H+]1CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446361	0	55	0.0	-74.30	403.87	4.66	-69.64
CC1CCC[N@H+]1CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446361	1	55	0.0	-69.83	403.12	4.76	-65.07
CC1CC[N@H+](CC(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)C1	REAL300030446363	0	55	0.0	-71.76	403.22	4.74	-67.02
CC1CC[N@@H+](CC(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)C1	REAL300030446363	1	55	0.0	-72.64	410.77	5.16	-67.48
CC1(C)CC[N@H+](CC(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)C1	REAL300030446367	0	58	0.0	-76.72	423.14	5.24	-71.48
CC1(C)CC[N@@H+](CC(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)C1	REAL300030446367	1	58	0.0	-71.94	423.64	5.27	-66.67
C[N@H+](CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)CC(C)(C)C	REAL300030446368	0	60	0.0	-72.75	433.53	5.77	-66.98
C[N@@H+](CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)CC(C)(C)C	REAL300030446368	1	60	0.0	-71.72	434.84	5.95	-65.77
CC[C@@H](C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)[NH+](C)C	REAL300030446376	0	54	0.0	-73.80	387.93	4.04	-69.76
C[NH+](C)CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446480	0	48	0.0	-72.81	365.06	3.38	-69.43
O=C(C[NH+]1CCCCCC1)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446484	0	58	0.0	-76.79	409.40	5.03	-71.76
CN1C=C[N+](CC(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)=C1	REAL300030446487	0	50	0.0	-74.72	389.31	6.49	-68.23
C[N@@H+]1CCCC(C(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)C1	REAL300030446492	0	55	0.0	-71.16	396.19	4.84	-66.32
C[N@H+]1CCCC(C(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)C1	REAL300030446492	1	55	0.0	-67.38	396.07	4.82	-62.56
O=C(NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)C1CCC[N@@H+]1C1CC1	REAL300030446497	0	56	0.0	-67.29	415.17	5.51	-61.78
O=C(NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)C1CCC[N@H+]1C1CC1	REAL300030446497	1	56	0.0	-68.16	417.39	5.76	-62.40
CC(C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)[NH+]1CCC1	REAL300030446513	1	52	0.0	-74.13	386.20	4.05	-70.08
CCC(CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)C[NH+](C)C	REAL300030446517	0	60	0.0	-75.01	436.08	5.88	-69.13
C[NH+](C)CC(C)(C)C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446522	0	57	0.0	-63.66	414.19	5.25	-58.41
O=C(C[NH+]1CCC(O)CC1)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446537	1	56	0.0	-82.22	410.87	1.55	-80.67
C[N@H+](CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)C1CC1	REAL300030446538	0	52	0.0	-74.43	387.34	4.38	-70.05
C[N@@H+](CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)C1CC1	REAL300030446538	1	52	0.0	-74.38	387.34	4.37	-70.01
C[NH+]1CC(CC(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)C1	REAL300030446554	0	52	0.0	-72.68	396.50	4.21	-68.47
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446565	0	58	0.0	-69.06	426.43	5.16	-63.90
CC(C)(C)[N@H+]1CCC1C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446565	1	58	0.0	-70.18	410.28	4.62	-65.56
C[C@@H](C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)[NH+](C)C	REAL300030446576	0	51	0.0	-70.78	384.45	3.73	-67.05
[NH2+]=C1SC=CN1CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446635	0	48	0.0	-73.40	385.15	3.16	-70.24
C[N@H+](CCO)CCC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446642	0	55	0.0	-75.24	415.51	1.38	-73.86
C[N@@H+](CCO)CCC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446642	1	55	0.0	-76.99	408.47	0.95	-76.04
C[C@@H](C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)[NH+](C)C	REAL300030446643	0	51	0.0	-70.78	384.45	3.73	-67.05
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446647	0	55	0.0	-69.81	398.05	4.83	-64.98
C[N@H+]1CCCC[C@@H]1C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446647	1	55	0.0	-67.63	407.39	4.99	-62.64
O=C(C[NH+]1CCC1)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446697	1	49	0.0	-74.40	376.44	3.76	-70.64
C[N@@H+]1CCC(=CC(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)C1	REAL300030446716	0	53	0.0	-78.63	396.68	4.53	-74.10
C[N@H+]1CCC(=CC(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)C1	REAL300030446716	1	53	0.0	-78.69	395.72	4.57	-74.12
C[NH+](C)CCOCC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446739	0	55	0.0	-75.55	420.93	4.44	-71.11
C=CCC(C)(C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)[NH+](C)C	REAL300030446753	0	58	0.0	-66.60	420.52	5.43	-61.17
C[S+](C)CCC(O)C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446757	0	54	0.0	-74.40	429.91	3.04	-71.36
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446776	0	56	0.0	-80.80	405.40	1.45	-79.35
CC1CN(CC(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)C1	REAL300030446795	0	52	0.0	-77.40	389.34	4.10	-73.30
CC1C[NH+](CC(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)C1	REAL300030446795	1	52	0.0	-77.40	389.34	4.10	-73.30
CN(CCO)CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446813	0	52	0.0	-72.27	393.14	0.82	-71.45
C[N@H+](CCO)CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446813	1	52	0.0	-72.96	393.55	0.79	-72.17
C[N@@H+](CCO)CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446813	1	52	0.0	-72.96	393.55	0.79	-72.17
CC[N@@H+]1CCCC(C(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)C1	REAL300030446833	0	58	0.0	-70.13	413.83	5.49	-64.64
CC[N@H+]1CCCC(C(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)C1	REAL300030446833	1	58	0.0	-70.13	413.83	5.49	-64.64
CC(CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)C[NH+](C)C	REAL300030446835	0	57	0.0	-75.05	422.24	5.39	-69.66
CC[N@H+](C)CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446840	0	51	0.0	-72.09	382.79	4.06	-68.03
CC[N@H+](CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)C1CC1	REAL300030446873	0	55	0.0	-69.81	414.26	5.45	-64.36
CC[N@@H+](CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)C1CC1	REAL300030446873	1	55	0.0	-69.61	404.29	5.00	-64.61
CC[NH+](CC)CCC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446883	0	57	0.0	-77.03	411.64	4.62	-72.41
C[NH+]1CCC(=CC(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)CC1	REAL300030446893	0	56	0.0	-77.25	419.89	5.62	-71.63
CC1(C)C[NH+](CC(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)C1	REAL300030446901	1	55	0.0	-77.36	408.48	4.56	-72.80
CC1(O)CC[N@H+](CC(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)C1	REAL300030446919	0	56	0.0	-71.52	421.64	1.81	-69.71
CC1(O)CC[N@@H+](CC(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)C1	REAL300030446919	1	56	0.0	-76.57	414.17	1.42	-75.15
C[NH+](C)CC=CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446923	0	52	0.0	-77.04	402.29	4.63	-72.41
CC(OCC[NH+](C)C)C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446932	0	58	0.0	-75.03	440.72	5.13	-69.90
C[NH+](C)CCOCCC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446938	0	58	0.0	-75.01	434.71	3.78	-71.23
COCC[N@H+](C)CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446939	1	55	0.0	-72.46	415.81	3.19	-69.27
COCC[N@@H+](C)CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446939	1	55	0.0	-72.45	415.39	3.22	-69.23
C[NH+](C)C1(C(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)CCCC1	REAL300030446959	0	58	0.0	-72.95	416.71	5.90	-67.05
CC(CCC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)[NH+](C)C	REAL300030446961	0	57	0.0	-79.59	411.67	4.71	-74.88
CC[N@@H+]1CCC1C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446967	1	52	0.0	-75.44	380.81	4.00	-71.44
CC[N@H+]1CCC1C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446967	1	52	0.0	-73.27	397.67	4.39	-68.88
O=C(C[N@H+]1CCCC1CO)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446980	0	56	0.0	-72.33	414.98	1.46	-70.87
O=C(C[N@@H+]1CCCC1CO)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446980	1	56	0.0	-72.28	415.26	1.45	-70.83
C[NH+]1CCC(C)(C(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)CC1	REAL300030447002	0	58	0.0	-67.66	423.59	5.42	-62.24
C=CCC(C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)[NH+](C)C	REAL300030447021	0	55	0.0	-67.00	408.73	4.87	-62.13
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030447028	0	58	0.0	-71.50	432.29	5.46	-66.04
C[N@H+]1CC(C)(C)CC1C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030447028	1	58	0.0	-69.81	431.70	5.59	-64.22
C[NH+](C)CCCCCC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030447030	0	60	0.0	-76.90	451.92	6.31	-70.59
O=C(C[NH+]1CC2CC2C1)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030447035	0	53	0.0	-77.37	393.41	4.85	-72.52
CCCC(C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)[NH+](C)C	REAL300030447051	0	57	0.0	-73.57	417.08	5.15	-68.42
C[NH+](C)C(C)(C)C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030447054	0	54	0.0	-79.46	385.74	4.04	-75.42
C[N@@H+]1CCCCC1C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030447080	0	55	0.0	-73.58	399.57	4.61	-68.97
C[N@H+]1CCCCC1C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030447080	1	55	0.0	-70.10	390.77	4.41	-65.69
C[N@H+]1CC=C(CC(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)CC1	REAL300030447104	0	56	0.0	-72.13	417.31	5.31	-66.82
C[N@@H+]1CC=C(CC(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)CC1	REAL300030447104	1	56	0.0	-71.00	417.07	5.31	-65.69
O=C(C=CC[NH+]1CCCC1)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030447144	0	56	0.0	-76.13	427.36	5.80	-70.33
C[NH+](C)C1(C(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)CC1	REAL300030447175	0	52	0.0	-79.54	391.81	4.06	-75.48
O=C(CC[NH+]1CCCC1)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030447177	0	55	0.0	-73.95	413.39	5.13	-68.82
O=C(NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)C1C[NH+]2CCN1CC2	REAL300030447201	0	55	0.0	-85.36	401.32	1.93	-83.43
C[N@@H+]1CC2CC1(C(=O)NCC1C3CN(C(=O)C4=CC(=O)[N-]O4)C1CCC3)C2	REAL300030447206	0	53	0.0	-72.41	389.81	4.17	-68.24
C[N@H+]1CC2CC1(C(=O)NCC1C3CN(C(=O)C4=CC(=O)[N-]O4)C1CCC3)C2	REAL300030447206	1	53	0.0	-79.53	396.08	4.74	-74.79
O=C(C[N@@H+]1CC2CCC1C2)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030447213	0	56	0.0	-71.60	412.74	5.45	-66.15
O=C(C[N@H+]1CC2CCC1C2)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030447213	1	56	0.0	-74.68	401.48	4.93	-69.75
O=C(C[N@@H+]1CC2C=CC1C2)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030447253	1	54	0.0	-71.43	404.98	5.36	-66.07
O=C(C[N@H+]1CC2C=CC1C2)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030447253	1	54	0.0	-70.74	404.25	5.27	-65.47
CC(C[NH+](C)C)C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030447285	0	54	0.0	-74.04	403.46	4.65	-69.39
C[N@@H+]1CCCCC1CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030447335	0	58	0.0	-78.31	425.39	5.55	-72.76
C[N@H+]1CCCCC1CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030447335	1	58	0.0	-73.64	417.33	5.20	-68.44
CC(C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)[NH+]1CC(C)C1	REAL300030447345	1	55	0.0	-70.06	414.44	5.01	-65.05
CC1CC[N@@H+]1CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030447347	1	52	0.0	-74.91	383.62	3.81	-71.10
CC1CC[N@H+]1CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030447347	1	52	0.0	-73.43	397.48	4.43	-69.00
C[NH+](C)CC(O)CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030447350	0	55	0.0	-80.27	410.58	2.02	-78.25
CC1C[N@H+](C)CC(C(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)O1	REAL300030447370	1	56	0.0	-70.51	417.47	4.40	-66.11
CC1C[N@@H+](C)CC(C(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)O1	REAL300030447370	1	56	0.0	-80.84	416.57	4.19	-76.65
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)C1	REAL300030447417	0	55	0.0	-71.91	414.93	5.14	-66.77
CC(CC[NH+](C)C)C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030447423	0	57	0.0	-74.74	425.10	5.27	-69.47
C[NH+]1CCN(CC(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)CC1	REAL300030447442	1	57	0.0	-76.08	424.71	2.86	-73.22
NC(=[NH2+])SCC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030447466	0	46	0.0	-78.12	366.61	-0.15	-78.27
C[NH+](C)CCC1(C(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)CC1	REAL300030447495	0	58	0.0	-86.63	439.48	5.91	-80.72
C[N@@H+]1CC=CCC1CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030447496	0	56	0.0	-76.51	416.60	5.47	-71.04
C[N@H+]1CC=CCC1CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030447496	1	56	0.0	-70.86	404.06	5.00	-65.86
C[C@@H](OCC[NH+](C)C)C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030447509	0	58	0.0	-74.16	433.69	4.73	-69.43
CCC1CN(CC(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)C1	REAL300030447595	0	55	0.0	-78.09	410.73	4.86	-73.23
CCC1C[NH+](CC(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)C1	REAL300030447595	1	55	0.0	-78.09	410.73	4.86	-73.23
C[N@@H+]1CCC[C@H]1C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030447600	0	52	0.0	-71.91	377.41	3.55	-68.36
O=C(CC[N@H+]1CCC(F)C1)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030447606	0	55	0.0	-77.17	412.12	4.77	-72.40
CC1C(C(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)CC[N@@H+]1C	REAL300030447625	0	55	0.0	-71.46	399.95	4.49	-66.97
CC1C(C(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)CC[N@H+]1C	REAL300030447625	1	55	0.0	-71.46	399.95	4.49	-66.97
CN1CCOCC1CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030447654	0	56	0.0	-64.91	408.03	3.06	-61.85
C[N@@H+]1CCOCC1CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030447654	1	56	0.0	-64.95	408.08	3.12	-61.83
C[N@H+]1CCOCC1CC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030447654	1	56	0.0	-64.95	408.08	3.12	-61.83
C[N@@H+]1CCCC1C(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030447825	0	52	0.0	-63.49	388.91	4.24	-59.25
O=C(CC[NH+]1CCOCC1)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030448003	1	56	0.0	-78.28	415.93	3.17	-75.11
O=C(NCC1C2CN(C(=O)C3=CC4=C[NH+]=CN4C=C3)C1CCC2)C1=CC(=O)[N-]O1	REAL300030448016	1	50	0.0	-75.83	402.42	6.92	-68.91
C[N@@H+]1CCC(CC(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030448044	0	55	0.0	-73.96	407.09	4.76	-69.20
C[N@H+]1CCC(CC(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030448044	1	55	0.0	-69.43	413.77	5.14	-64.29
CCC(C(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030448051	0	54	0.0	-63.94	397.26	4.38	-59.56
C[NH+](C)CCCCC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030448086	0	57	0.0	-73.62	426.33	5.30	-68.32
CCC[N@H+](C)CCC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030448101	0	57	0.0	-69.23	429.92	5.43	-63.80
CCC[N@@H+](C)CCC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030448101	1	57	0.0	-69.17	430.08	5.43	-63.74
CCC[N@H+](C)CC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030448104	0	54	0.0	-71.27	399.98	4.57	-66.70
CCC[N@@H+](C)CC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030448104	1	54	0.0	-71.28	400.20	4.56	-66.72
O=C(NCC1C2CN(C(=O)C34CC[N@H+](C3)CCC4)C1CCC2)C1=CC(=O)[N-]O1	REAL300030448116	0	56	0.0	-72.94	393.51	3.96	-68.98
O=C(NCC1C2CN(C(=O)C34CC[N@@H+](C3)CCC4)C1CCC2)C1=CC(=O)[N-]O1	REAL300030448116	1	56	0.0	-72.99	396.27	4.29	-68.70
CC1CC[NH+](CC(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030448146	0	58	0.0	-71.41	423.54	5.62	-65.79
C[NH+](C)CC1(C(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030448177	0	55	0.0	-76.49	405.17	4.67	-71.82
CC[N@H+](C)CCC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030448193	0	54	0.0	-75.56	401.13	4.33	-71.23
CC[N@@H+](C)CCC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030448193	1	54	0.0	-68.38	408.43	4.69	-63.69
O=C(NCC1C2CN(C(=O)C3C[NH+]4CCC3CC4)C1CCC2)C1=CC(=O)[N-]O1	REAL300030448210	0	56	0.0	-77.32	395.66	4.63	-72.69
C[NH+]1CCC(C(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030448250	0	55	0.0	-75.12	405.30	4.70	-70.42
CC[NH+](CC)CC(F)C(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030448312	0	57	0.0	-65.38	426.08	5.03	-60.35
CCC(C(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300030448345	0	60	0.0	-59.14	429.71	5.62	-53.52
CC1CCC[N@@H+]1CC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030448355	0	55	0.0	-69.61	399.50	4.51	-65.10
CC1CCC[N@H+]1CC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030448355	1	55	0.0	-69.45	399.33	4.50	-64.95
CC(C)[N@@H+]1CCCC1C(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030448397	0	58	0.0	-68.83	414.48	4.99	-63.84
CC(C)[N@H+]1CCCC1C(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030448397	1	58	0.0	-62.26	422.78	5.42	-56.84
CC1CC[N@H+](CC(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030448417	0	55	0.0	-65.13	413.86	5.18	-59.95
CC1CC[N@@H+](CC(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030448417	1	55	0.0	-72.19	405.94	4.80	-67.39
CC1(C)CC[N@H+](CC(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030448420	0	58	0.0	-64.94	432.90	5.73	-59.21
CC1(C)CC[N@@H+](CC(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030448420	1	58	0.0	-65.02	433.15	5.77	-59.25
C[N@H+](CC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030448421	0	60	0.0	-71.17	427.50	5.60	-65.57
C[N@@H+](CC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030448421	1	60	0.0	-65.43	438.63	6.02	-59.41
CC[C@@H](C(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030448428	0	54	0.0	-66.06	397.38	4.54	-61.52
CC1=[NH+]C=CN1CC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030448539	1	50	0.0	-64.12	397.92	5.06	-59.06
CC[N@@H+]1CCOC(C(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030448595	1	56	0.0	-80.12	411.42	4.10	-76.02
CC[N@H+]1CCOC(C(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030448595	1	56	0.0	-85.40	410.81	4.05	-81.35
O=C(NCC1C2CN(C(=O)C3=CN4C=[NH+]C=C4C=C3)C1CCC2)C1=CC(=O)[N-]O1	REAL300030448619	0	50	0.0	-71.98	402.26	6.90	-65.08
CC1=C[NH+]=CN1CC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030448622	1	50	0.0	-70.35	390.51	5.49	-64.86
C[C@@H]1[C@H](C(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030448628	0	55	0.0	-72.74	392.62	4.08	-68.66
C[C@@H]1[C@H](C(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030448628	1	55	0.0	-75.42	400.57	4.64	-70.78
CC[C@@H]1[C@@H](C(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030448630	0	58	0.0	-73.08	412.53	4.65	-68.43
CC[C@@H]1[C@@H](C(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030448630	1	58	0.0	-72.46	417.91	4.98	-67.48
CC1CCC(C)[NH+]1CC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030448636	0	58	0.0	-62.29	425.54	5.33	-56.96
O=C(CCC[NH+]1CCCC1)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030448639	0	58	0.0	-68.48	438.85	5.90	-62.58
O=C(CC[NH+]1CCCCC1)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030448642	0	58	0.0	-74.84	424.78	5.56	-69.28
C[N@H+](CC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030448724	0	55	0.0	-64.50	414.71	5.43	-59.07
C[N@@H+](CC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030448724	1	55	0.0	-69.22	406.86	5.14	-64.08
C[NH+]1CCC(C(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030448753	0	55	0.0	-75.12	405.30	4.70	-70.42
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030448777	0	52	0.0	-72.49	379.77	3.58	-68.91
C[N@H+]1CCC[C@@H]1C(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030448777	1	52	0.0	-63.27	389.36	4.35	-58.92
C[N@@H+]1CCCC1CCC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030448796	0	58	0.0	-71.46	436.10	5.88	-65.58
C[N@H+]1CCCC1CCC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030448796	1	58	0.0	-70.73	422.55	5.23	-65.50
CC1C(C(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030448904	0	55	0.0	-70.57	401.63	4.47	-66.10
CC1C(C(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030448904	1	55	0.0	-75.05	394.14	4.05	-71.00
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030448948	0	58	0.0	-64.15	430.28	5.06	-59.09
CC(C)(C)[N@H+]1CCC1C(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030448948	1	58	0.0	-63.68	429.74	5.25	-58.43
C[C@@H](C(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030448962	0	51	0.0	-64.34	384.24	3.78	-60.56
C=CCC(C)(C(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030448976	0	58	0.0	-65.79	403.94	4.92	-60.87
O=C(CC[NH+]1CCCC1)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030448993	0	55	0.0	-68.08	417.35	5.09	-62.99
C[N@H+](CCO)CC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449002	1	52	0.0	-71.78	388.83	0.59	-71.19
C[N@@H+](CCO)CC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449002	1	52	0.0	-71.52	389.08	0.60	-70.92
C[N@H+]1CC=C(CC(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030449053	0	56	0.0	-71.68	419.78	5.47	-66.21
C[N@@H+]1CC=C(CC(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030449053	1	56	0.0	-66.17	426.75	5.85	-60.32
C[S+](C)CCC(O)C(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449061	0	54	0.0	-75.34	428.84	2.80	-72.54
CC1C[NH+](CC(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030449101	1	52	0.0	-74.17	391.11	4.27	-69.90
CC[N@@H+]1CCCC(C(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030449105	0	58	0.0	-66.63	430.06	5.51	-61.12
CC[N@H+]1CCCC(C(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030449105	1	58	0.0	-65.51	412.48	5.35	-60.16
NC1=[NH+]C=CC=C1CC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449109	0	51	0.0	-64.79	402.74	3.27	-61.52
O=C(NCC1C2CN(C(=O)C3CCC[N@@H+]3C3CC3)C1CCC2)C1=CC(=O)[N-]O1	REAL300030449115	0	56	0.0	-72.80	411.58	5.08	-67.72
O=C(NCC1C2CN(C(=O)C3CCC[N@H+]3C3CC3)C1CCC2)C1=CC(=O)[N-]O1	REAL300030449115	1	56	0.0	-64.88	412.18	4.92	-59.96
O=C(C=CC[NH+]1CCCC1)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449141	0	56	0.0	-74.66	429.20	5.94	-68.72
CC[N@H+](C)CC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449176	0	51	0.0	-65.99	386.22	4.12	-61.87
O=C(CN1CC2C=CC1C2)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449206	0	54	0.0	-64.45	408.20	5.28	-59.17
O=C(C[N@@H+]1CC2C=CC1C2)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449206	1	54	0.0	-63.77	407.83	5.23	-58.54
O=C(C[N@H+]1CC2C=CC1C2)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449206	1	54	0.0	-63.77	407.83	5.23	-58.54
CC(OCC[NH+](C)C)C(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449283	0	58	0.0	-68.03	438.90	5.10	-62.93
C[NH+](C)CCOCCC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449290	0	58	0.0	-71.30	437.80	3.96	-67.34
COCCN(C)CC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449292	0	55	0.0	-71.25	410.92	2.99	-68.26
COCC[N@H+](C)CC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449292	1	55	0.0	-72.01	411.08	2.99	-69.02
COCC[N@@H+](C)CC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449292	1	55	0.0	-72.01	411.08	2.99	-69.02
CC(CCC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030449295	0	57	0.0	-71.29	418.11	4.90	-66.39
CC[N@H+](CC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030449310	0	55	0.0	-63.51	414.39	5.47	-58.04
O=C(C[N@@H+]1CC2CCC1C2)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449340	0	56	0.0	-68.19	405.07	5.07	-63.12
O=C(C[N@H+]1CC2CCC1C2)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449340	1	56	0.0	-68.19	405.07	5.07	-63.12
CC(C[NH+](C)C)C(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449354	0	54	0.0	-69.36	405.90	4.60	-64.76
CCN1CCC1C(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449384	0	52	0.0	-63.52	391.53	4.17	-59.35
CC[N@@H+]1CCC1C(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449384	1	52	0.0	-68.64	383.81	3.75	-64.89
CC[N@H+]1CCC1C(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449384	1	52	0.0	-68.64	383.81	3.75	-64.89
CCC(C)(C)[NH2+]C(C)C(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449393	0	60	0.0	-63.53	432.63	3.94	-59.59
CNC1=NC(C)=CC=C1C(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449418	0	54	0.0	-64.77	409.92	3.72	-61.05
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449418	1	54	0.0	-64.77	409.92	3.72	-61.05
CCCC(C(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030449427	0	57	0.0	-64.55	418.97	5.15	-59.40
CC(CC[NH+](C)C)C(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449444	0	57	0.0	-70.36	427.52	5.22	-65.14
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449500	0	58	0.0	-62.08	426.85	5.08	-57.00
C[N@H+]1CC(C)(C)CC1C(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449500	1	58	0.0	-62.08	426.85	5.08	-57.00
C[NH+](C)CCCCCC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449502	0	60	0.0	-72.87	447.83	6.08	-66.79
CN1CCN(CC(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030449509	0	57	0.0	-67.52	427.51	2.95	-64.57
C[NH+]1CCN(CC(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030449509	1	57	0.0	-67.52	427.51	2.95	-64.57
CC1CN(C)CC(C(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030449557	0	56	0.0	-83.26	406.86	3.77	-79.49
CC1C[N@H+](C)CC(C(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030449557	1	56	0.0	-64.39	413.96	4.34	-60.05
CC1C[N@@H+](C)CC(C(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030449557	1	56	0.0	-64.39	413.96	4.34	-60.05
C[N@@H+]1CCCCC1C(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449608	0	55	0.0	-70.74	388.95	4.18	-66.56
C[N@@H+]1CCC(=CC(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030449668	0	53	0.0	-74.75	398.76	4.69	-70.06
C[N@H+]1CCC(=CC(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030449668	1	53	0.0	-74.75	398.76	4.69	-70.06
O=C(CNC1=CC=[NH+]C=C1)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449671	0	51	0.0	-71.42	404.94	2.75	-68.67
C[N@@H+]1CCC[C@H]1C(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449737	0	52	0.0	-69.91	379.34	3.65	-66.26
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030449819	0	55	0.0	-66.72	418.64	5.08	-61.64
C[N@@H+]1CC=CCC1CC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449827	0	56	0.0	-62.64	414.87	5.38	-57.26
C[N@H+]1CC=CCC1CC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449827	1	56	0.0	-62.64	414.87	5.38	-57.26
C[NH+](C)CCOCC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449862	0	55	0.0	-71.09	416.66	4.26	-66.83
[NH2+]=C1SC=CN1CC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449883	0	48	0.0	-63.52	395.56	3.63	-59.89
C[C@@H](OCC[NH+](C)C)C(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449917	0	58	0.0	-68.69	439.46	5.03	-63.66
C[N@@H+]1CCCC(C(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030449940	0	55	0.0	-76.08	405.22	4.63	-71.45
C[N@H+]1CCCC(C(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030449940	1	55	0.0	-76.08	405.22	4.63	-71.45
O=C(C[NH+]1CCCCCC1)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449941	0	58	0.0	-70.44	411.71	5.21	-65.23
CN1C=C[N+](CC(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030449945	0	50	0.0	-64.07	400.16	6.86	-57.21
O=C(CN1CCC(O)CC1)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449964	0	56	0.0	-74.84	413.78	1.66	-73.18
O=C(C[NH+]1CCC(O)CC1)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449964	1	56	0.0	-74.84	413.78	1.66	-73.18
C[N@H+](CC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030449966	0	52	0.0	-64.14	397.73	4.87	-59.27
O=C(CC[N@H+]1CCC(F)C1)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449969	0	55	0.0	-77.42	415.33	4.98	-72.44
CC(CC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030449988	0	57	0.0	-69.10	425.62	5.45	-63.65
CN1CCOCC1CC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030450007	0	56	0.0	-73.44	419.30	3.22	-70.22
C[N@@H+]1CCOCC1CC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030450007	1	56	0.0	-68.83	403.73	2.83	-66.00
C[N@H+]1CCOCC1CC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030450007	1	56	0.0	-68.83	403.73	2.83	-66.00
CC1=CC(N)=NC=C1C(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030450036	0	51	0.0	-76.21	390.00	2.36	-73.85
CC1=CC(N)=[NH+]C=C1C(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030450036	1	51	0.0	-76.21	390.00	2.36	-73.85
CC1(O)CC[N@H+](CC(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030450062	0	56	0.0	-73.68	417.15	1.55	-72.13
C[NH+]1CC(CC(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030450088	0	52	0.0	-69.53	400.15	4.21	-65.32
C[N@H+](CCO)CCC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030450117	0	55	0.0	-67.60	418.90	1.45	-66.15
C[N@@H+](CCO)CCC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030450117	1	55	0.0	-67.60	418.90	1.45	-66.15
C[N@@H+]1CCCCC1CC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030450131	0	58	0.0	-65.58	412.36	5.20	-60.38
C[N@H+]1CCCCC1CC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030450131	1	58	0.0	-65.58	412.36	5.20	-60.38
CC1CCN1CC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030450145	0	52	0.0	-64.84	399.98	4.47	-60.37
CC1CC[N@@H+]1CC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030450145	1	52	0.0	-70.05	391.96	4.22	-65.83
CC1CC[N@H+]1CC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030450145	1	52	0.0	-70.05	391.96	4.22	-65.83
C[NH+](C)CC=CC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030450150	0	52	0.0	-76.20	404.45	4.67	-71.53
CC1(C)CN(CC(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030450155	0	55	0.0	-71.41	411.53	4.75	-66.66
CC1(C)C[NH+](CC(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030450155	1	55	0.0	-71.41	411.53	4.75	-66.66
C[NH+](C)CCSCC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030450175	0	55	0.0	-76.51	427.87	5.11	-71.40
O=C(C[N@H+]1CCCC1CO)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030450192	0	56	0.0	-64.97	417.22	1.58	-63.39
CC[NH+](CC)CC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030450196	0	54	0.0	-64.84	399.92	4.53	-60.31
O=C(CN1CCC1)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030450205	0	49	0.0	-67.06	379.35	3.81	-63.25
O=C(C[NH+]1CCC1)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030450205	1	49	0.0	-67.06	379.35	3.81	-63.25
CC[NH+](CC)CCC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030450230	0	57	0.0	-71.80	418.44	5.08	-66.72
CC(C(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1)N1CCC1	REAL300030450274	0	52	0.0	-69.24	390.18	4.09	-65.15
CC(C(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030450274	1	52	0.0	-69.24	390.18	4.09	-65.15
CCC(CC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030450279	0	60	0.0	-70.29	438.78	6.03	-64.26
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030450311	0	55	0.0	-67.55	400.29	4.63	-62.92
C[NH+](C)CC(O)CC(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030450332	0	55	0.0	-72.50	420.82	2.52	-69.98
C=CCC(C(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030450354	0	55	0.0	-64.21	411.48	4.89	-59.32
C[NH+](C)CCSCC(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030450424	0	55	0.0	-80.59	431.95	5.31	-75.28
CC1CC(NC(=O)C2CCC[N@@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030450692	0	45	0.0	-65.75	345.00	1.86	-63.89
CC1CC(NC(=O)C2CN(C)CCO2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030450716	0	46	0.0	-79.87	355.09	1.58	-78.29
CC1CC(NC(=O)C2C[N@H+](C)CCO2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030450716	1	46	0.0	-70.79	356.31	1.59	-69.20
CC1CC(NC(=O)C2C[N@@H+](C)CCO2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030450716	1	46	0.0	-70.79	356.31	1.59	-69.20
CC(C)C1=[NH+]C=CN1CCC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030450918	1	52	0.0	-68.20	411.36	4.51	-63.69
CC(C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300030450926	0	54	0.0	-69.41	396.23	3.78	-65.63
CC(C)[N@@H+]1CCCCC1C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030450929	0	54	0.0	-68.35	392.87	3.91	-64.44
CC(C)[N@H+]1CCCCC1C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030450929	1	54	0.0	-68.45	392.97	3.90	-64.55
CC(C)[N@@H+]1CCCC1C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030450965	0	51	0.0	-66.13	383.79	3.42	-62.71
CC(C)[N@H+]1CCCC1C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030450965	1	51	0.0	-70.02	375.17	3.30	-66.72
CC1CC(NC(=O)C2CC3CCCC[N@@H+]3C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030450995	0	52	0.0	-77.46	393.84	4.12	-73.34
CC1CC(NC(=O)C2CC3CCCC[N@H+]3C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030450995	1	52	0.0	-66.36	392.06	4.05	-62.31
CC(C)C1=[NH+]C=CN1CC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030451035	1	49	0.0	-62.24	392.13	4.12	-58.12
CC1=[NH+]C=CN1CC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030451097	1	43	0.0	-61.76	355.80	3.00	-58.76
CC(C[NH+]1CCOCC1)C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030451099	0	52	0.0	-75.20	397.48	2.09	-73.11
CC1CC(NC(=O)CCC[NH+]2CCCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451122	0	54	0.0	-73.96	411.45	4.60	-69.36
CC1CC(NC(=O)C(C)(C)[NH+]2CCCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451163	0	54	0.0	-64.38	395.72	4.33	-60.05
CC1CC(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451166	0	58	0.0	-72.17	430.77	5.26	-66.91
CC1CC(NC(=O)C2CC[N@H+](C3CCCCC3)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451166	1	58	0.0	-74.89	431.87	5.29	-69.60
CC1CC(NC(=O)C2C[NH+]3CCC2CC3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451184	0	49	0.0	-76.70	367.54	3.13	-73.57
CC1CC(NC(=O)C2CCCC3CCC[N@@H+]32)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451251	0	52	0.0	-66.65	390.31	4.15	-62.50
CC1CC(NC(=O)C2CCCC3CCC[N@H+]32)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451251	1	52	0.0	-66.40	390.52	4.14	-62.26
CC1CC(NC(=O)C2=CN(CC[NH+](C)C)N=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451254	0	51	0.0	-82.02	410.21	2.84	-79.18
CC1CC(NC(=O)C2=NN(CC[NH+](C)C)C=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451271	0	51	0.0	-88.41	410.59	2.85	-85.56
CC1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451279	0	48	0.0	-73.18	363.61	2.51	-70.67
CC1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451279	1	48	0.0	-73.48	366.91	2.81	-70.67
CCC1=[NH+]C=CN1C(C)CC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030451283	1	52	0.0	-68.14	411.90	4.56	-63.58
CC[C@@H]1[C@@H](C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030451286	0	51	0.0	-76.78	383.00	3.04	-73.74
CC[C@@H]1[C@@H](C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030451286	1	51	0.0	-72.65	387.82	3.37	-69.28
CC[N@@H+]1CCOC(C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030451316	1	49	0.0	-81.28	374.33	2.28	-79.00
CC[N@H+]1CCOC(C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030451316	1	49	0.0	-82.49	381.47	2.45	-80.04
CC[NH+](CC)CC(F)C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030451392	0	50	0.0	-70.92	384.76	3.07	-67.85
CC1CC(NC(=O)C2=C(C[NH+](C)C)C=CS2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451393	0	48	0.0	-57.44	390.21	3.93	-53.51
CC1CC(NC(=O)C[NH+]2C(C)CCC2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451522	0	51	0.0	-69.75	383.08	3.37	-66.38
CC1CC(NC(=O)CCC[NH+]2CCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451533	0	51	0.0	-73.83	396.01	3.91	-69.92
CC1CC(NC(=O)C2=CC=CC(C[NH+](C)C)=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451534	0	51	0.0	-74.59	404.10	4.84	-69.75
C#CC[NH+]1CCC(C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030451544	0	50	0.0	-71.82	396.12	4.22	-67.60
CC1CC(NC(=O)CC[NH+]2CCCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451546	0	51	0.0	-73.76	389.50	3.76	-70.00
CC1CC(NC(=O)C2=CC=CC=C2C[NH+](C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451550	0	51	0.0	-56.26	395.70	5.08	-51.18
CC[N@@H+]1CCCCC1C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030451562	0	51	0.0	-70.40	385.83	3.54	-66.86
CC[N@H+]1CCCCC1C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030451562	1	51	0.0	-66.05	386.32	3.59	-62.46
CC(C)C(C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300030451563	0	57	0.0	-66.66	418.02	5.40	-61.26
CC1CC(NC(=O)C(C2=CC=CC=C2)[NH+](C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451567	1	51	0.0	-67.55	400.67	4.84	-62.71
CC(C)C[N@@H+]1CCC(C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030451594	0	54	0.0	-73.90	411.06	4.35	-69.55
CC(C)C[N@H+]1CCC(C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030451594	1	54	0.0	-71.19	409.21	4.30	-66.89
CC1CC(NC(=O)C2([NH+](C)C)CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451598	0	48	0.0	-80.22	361.91	2.69	-77.53
CC1CC(NC(=O)C2CCC[N@@H+]2C2CCOCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451601	0	56	0.0	-73.38	417.67	2.87	-70.51
CC1CC(NC(=O)C2CCC[N@H+]2C2CCOCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451601	1	56	0.0	-73.35	417.74	2.90	-70.45
CC1CC(NC(=O)C(CN2C=CC=N2)[NH+](C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451603	1	51	0.0	-66.58	399.14	2.67	-63.91
CC(C)[N@@H+]1CCCC1CC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030451610	0	54	0.0	-54.50	395.74	3.88	-50.62
CC(C)[N@H+]1CCCC1CC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030451610	1	54	0.0	-71.94	405.37	3.94	-68.00
CC1CC(NC(=O)C2CCC[N@@H+]2C2CCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451611	0	55	0.0	-74.21	397.79	4.26	-69.95
CC1CC(NC(=O)C2CCC[N@H+]2C2CCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451611	1	55	0.0	-71.82	412.03	4.72	-67.10
CC(C)[C@@H](C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030451641	0	50	0.0	-66.58	371.40	3.78	-62.80
CC1CC(NC(=O)C[N@H+](C)C2CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451714	0	48	0.0	-67.77	371.12	3.29	-64.48
CC1CC(NC(=O)C[N@@H+](C)C2CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451714	1	48	0.0	-63.41	372.59	3.36	-60.05
CC(C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300030451819	0	54	0.0	-66.50	396.87	3.72	-62.78
CC1CC(NC(=O)CCN(C)C2=CC=[NH+]C=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451904	0	50	0.0	-73.64	400.43	3.01	-70.63
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030451918	1	47	0.0	-72.62	372.62	3.09	-69.53
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030451918	1	47	0.0	-66.19	378.92	3.63	-62.56
CC1CC(NC(=O)CCC2CCC[N@@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451930	0	51	0.0	-72.99	387.90	3.38	-69.61
CC1CC(NC(=O)CCC2CCC[N@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451930	1	51	0.0	-75.99	393.78	3.84	-72.15
CC1CC(NC(=O)C23CCC[NH+](CCC2)C3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451947	0	52	0.0	-73.15	383.58	3.57	-69.58
CC1CC(NC(=O)C2CCC3CCCC[N@@H+]32)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451955	0	52	0.0	-68.30	387.69	3.81	-64.49
CC1CC(NC(=O)C2CCC3CCCC[N@H+]32)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451955	1	52	0.0	-68.65	393.83	4.24	-64.41
CC1CC(NC(=O)C(C)(C)C[NH+]2CCOCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451967	0	55	0.0	-68.19	406.75	2.42	-65.77
CC[NH+](CC)CC1=CC=C(C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030451984	0	54	0.0	-80.28	426.25	4.51	-75.77
CC1CC(NC(=O)CCCC[NH+]2CCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451989	0	54	0.0	-74.61	417.22	4.67	-69.94
CC1CC(NC(=O)C[N@H+](C)CC2=CC=CC=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451992	1	51	0.0	-77.67	402.60	4.95	-72.72
CC1CC(NC(=O)C[N@@H+](C)CC2=CC=CC=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451992	1	51	0.0	-69.67	403.03	4.97	-64.70
CC1CC(NC(=O)C2CC[NH+](C)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030452010	0	48	0.0	-69.12	370.95	3.03	-66.09
CC1CC(NC(=O)C2=NOC(C[NH+](C)C)=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030452083	1	47	0.0	-80.63	384.01	2.32	-78.31
CC1=C(C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300030452085	0	46	0.0	-73.80	370.09	5.20	-68.60
CC1CC(NC(=O)C2CCCC[N@@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030452144	0	48	0.0	-68.21	359.09	2.78	-65.43
CC1CC(NC(=O)C2CCCC[N@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030452144	1	48	0.0	-71.99	358.58	2.76	-69.23
CC(C)C[N@@H+]1CCCC1C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030452181	0	54	0.0	-73.46	400.62	4.57	-68.89
CC(C)C[N@H+]1CCCC1C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030452181	1	54	0.0	-73.16	405.33	4.00	-69.16
CC1CC(NC(=O)C2=CN3C=[NH+]C=C3C=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030452370	0	43	0.0	-74.44	356.11	4.86	-69.58
CC1=[NH+]C=CN1CCCC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030452386	1	49	0.0	-64.87	397.34	4.29	-60.58
CC1CC(NC(=O)CCCC[NH+]2CCOCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030452390	1	55	0.0	-78.18	424.21	2.94	-75.24
CC1CC(NC(=O)C2=CC=C(C[NH+](C)C)C=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030452396	0	51	0.0	-76.20	404.51	4.86	-71.34
CC1CC(NC(=O)CC[NH+]2CCOCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030452397	1	49	0.0	-77.49	381.22	1.37	-76.12
CC1CC(NC(=O)C(C)(C2=CC=CC=C2)[NH+](C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030452419	0	54	0.0	-78.96	399.76	5.05	-73.91
CCC[NH+](CCC)CCCC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030452427	0	59	0.0	-74.03	448.45	5.55	-68.48
CC[N@H+](C)C(C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300030452428	0	54	0.0	-70.76	413.73	5.30	-65.46
CC[N@@H+](C)C(C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300030452428	1	54	0.0	-72.35	419.33	5.48	-66.87
CC1=C[NH+]=CN1CC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030452455	1	43	0.0	-70.09	355.94	3.72	-66.37
CC1CC(NC(=O)CN2C=[NH+]C3=C2CCCC3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030452469	1	50	0.0	-68.77	397.96	5.45	-63.32
CC1CC(NC(=O)C2(C[NH+](C)C)CCCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030452517	0	57	0.0	-85.23	410.66	5.00	-80.23
CC1CC(NC(=O)C2=CC=CC=C2CC[NH+](C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030452518	0	54	0.0	-57.83	418.02	5.62	-52.21
CC1CC(NC(=O)CC[N@H+](C)C2CCCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030452525	0	57	0.0	-72.37	423.40	4.92	-67.45
CC1CC(NC(=O)CC[N@@H+](C)C2CCCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030452525	1	57	0.0	-69.43	424.78	4.98	-64.45
CC1CC(NC(=O)C23CCC[NH+]2CCC3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030452531	0	49	0.0	-69.58	369.59	3.28	-66.30
CC1CC(NC(=O)C2CCCC([NH+](C)C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030452575	0	54	0.0	-67.21	398.55	4.03	-63.18
CC1CC(NC(=O)CC2CC[N@H+](C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030452582	0	48	0.0	-75.41	372.40	2.98	-72.43
CC1CC(NC(=O)CC2CC[N@@H+](C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030452582	1	48	0.0	-75.56	372.87	2.94	-72.62
CC1CC(NC(=O)C2=C[NH+]=CC=C2N(C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030452596	0	47	0.0	-83.46	376.73	2.14	-81.32
CCC(C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030452602	0	47	0.0	-65.92	356.61	2.39	-63.53
CC1CC(NC(=O)CC2([NH+](C)C)CCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030452627	0	54	0.0	-77.38	389.74	3.78	-73.60
CC1CC(NC(=O)C2=CC3=C[NH+]=CN3C=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030452706	1	43	0.0	-80.11	356.38	4.86	-75.25
CC1CC(NC(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030452755	1	46	0.0	-85.94	385.59	2.78	-83.16
CC1CC(NC(=O)CCCC[NH+](C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030452791	0	50	0.0	-76.23	391.26	3.48	-72.75
CC(C)C(C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030452816	0	50	0.0	-68.67	375.40	3.55	-65.12
CCC[N@H+](C)CCC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030452818	0	50	0.0	-72.62	386.58	3.27	-69.35
CCC[N@@H+](C)CCC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030452818	1	50	0.0	-75.21	387.54	3.30	-71.91
CCC[N@H+](C)CC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030452825	0	47	0.0	-65.96	365.60	2.79	-63.17
CCC[N@@H+](C)CC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030452825	1	47	0.0	-72.55	365.41	2.79	-69.76
CC1CC(NC(=O)C23CC[N@H+](C2)CCC3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030452858	0	49	0.0	-75.34	367.89	2.57	-72.77
CC1CC(NC(=O)C23CC[N@@H+](C2)CCC3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030452858	1	49	0.0	-72.71	367.39	2.68	-70.03
CC1CC(NC(=O)[C@H]2CCC[N@@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030452934	0	45	0.0	-66.42	351.27	2.36	-64.06
CC1CC(NC(=O)[C@H]2CCC[N@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030452934	1	45	0.0	-69.18	346.23	1.90	-67.28
CC1CC2CCC(C(=O)NC3CC(C)N(C(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300030452965	0	55	0.0	-65.76	408.40	4.90	-60.86
CC1CC2CCC(C(=O)NC3CC(C)N(C(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300030452965	1	55	0.0	-70.53	414.03	4.66	-65.87
CCCCCC[N@H+](C)CC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030453025	0	56	0.0	-74.00	429.90	5.12	-68.88
CCCCCC[N@@H+](C)CC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030453025	1	56	0.0	-73.97	429.67	5.11	-68.86
CC[NH+](CC)C(C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300030453037	0	56	0.0	-57.55	407.51	4.56	-52.99
CC[NH+](CC)CC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030453050	0	47	0.0	-71.52	361.99	2.70	-68.82
CCC[N@@H+]1CCCC(C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030453083	0	54	0.0	-66.88	403.53	4.53	-62.35
CCC[N@H+]1CCCC(C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030453083	1	54	0.0	-73.20	410.03	4.37	-68.83
CC1CC(NC(=O)C2CCCC[N@@H+]2C2CCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030453096	0	58	0.0	-61.92	423.25	5.15	-56.77
CC1CC(NC(=O)C2CCCC[N@H+]2C2CCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030453096	1	58	0.0	-64.15	419.21	5.28	-58.87
CC(C)[N@@H+]1CCOC(C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030453109	1	52	0.0	-78.10	398.49	2.96	-75.14
CC(C)[N@H+]1CCOC(C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030453109	1	52	0.0	-75.39	391.38	2.78	-72.61
CC1CC(NC(=O)C[NH+]2CCC(C)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030453153	0	51	0.0	-70.58	387.57	3.80	-66.78
CC1CC(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030453187	1	46	0.0	-80.41	385.20	2.78	-77.63
CC1CC(NC(=O)COC2CC[NH+](C)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030453197	0	52	0.0	-74.77	406.32	3.47	-71.30
CC1CC(NC(=O)C2(C[NH+](C)C)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030453217	0	48	0.0	-71.03	377.67	3.10	-67.93
CC1=[NH+]C=C2CCC(C(=O)NC3CC(C)N(C(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300030453218	1	50	0.0	-63.33	394.07	4.11	-59.22
CC(C)[NH+]1CCC(C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030453330	0	54	0.0	-66.29	401.62	3.97	-62.32
CC1CC(NC(=O)C2CC[NH+](C)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030453362	0	48	0.0	-69.12	370.95	3.03	-66.09
CC(C)[C@H](C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030453385	0	50	0.0	-74.45	376.22	3.35	-71.10
CCC(C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030453425	0	53	0.0	-59.63	392.50	3.67	-55.96
CC[N@H+](C)CCC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030453529	0	47	0.0	-71.95	365.08	2.53	-69.42
CC[N@@H+](C)CCC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030453529	1	47	0.0	-68.07	366.47	2.59	-65.48
CC1CC(NC(=O)C[N@@H+]2CCCC2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030453618	0	48	0.0	-69.36	364.93	2.74	-66.62
CC1CC(NC(=O)C[N@H+]2CCCC2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030453618	1	48	0.0	-69.85	371.26	3.12	-66.73
CC1CC[N@H+](CC(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030453621	0	48	0.0	-72.23	371.29	3.11	-69.12
CC1CC[N@@H+](CC(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030453621	1	48	0.0	-65.84	371.86	3.03	-62.81
CC1CC(NC(=O)C2(F)CC[N@@H+](C(C)(C)C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030453622	0	54	0.0	-66.13	408.26	3.67	-62.46
CC1CC(NC(=O)C2(F)CC[N@H+](C(C)(C)C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030453622	1	54	0.0	-64.38	407.69	3.63	-60.75
CC1=[NH+]C=C2CC(C(=O)NC3CC(C)N(C(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300030453624	1	50	0.0	-68.10	395.67	4.11	-63.99
CC1CC(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030453626	0	54	0.0	-77.92	427.01	5.71	-72.21
CC1CC(NC(=O)C[N@@H+]2CCC(C)(C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030453628	0	51	0.0	-72.40	391.79	3.59	-68.81
CC1CC(NC(=O)C[N@H+]2CCC(C)(C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030453628	1	51	0.0	-72.45	391.49	3.60	-68.85
CC1CC(NC(=O)C[N@H+](C)CC(C)(C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030453629	0	53	0.0	-66.41	396.15	3.92	-62.49
CC1CC(NC(=O)C[N@@H+](C)CC(C)(C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030453629	1	53	0.0	-65.15	396.00	3.88	-61.27
CC1CC(NC(=O)C[N@H+](C)CCC2=CC=CC=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030453630	0	54	0.0	-70.00	425.50	5.81	-64.19
CC1CC(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030453630	1	54	0.0	-76.18	425.32	5.81	-70.37
CC[C@@H](C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030453642	0	47	0.0	-70.36	356.25	2.36	-68.00
CC(COCC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300030453650	0	55	0.0	-72.83	424.47	4.10	-68.73
CC1CC(NC(=O)C2CC[NH+](CC3CC3)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030453767	0	55	0.0	-69.83	420.13	5.24	-64.59
CC1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C2=CC=CC=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030453830	0	55	0.0	-86.28	429.51	5.71	-80.57
CC1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C2=CC=CC=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030453830	1	55	0.0	-83.51	430.37	5.61	-77.90
CC1CC(NC(=O)CC2(O)CC[NH+](C)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030453941	0	52	0.0	-72.95	396.56	1.66	-71.29
COCC[N@@H+]1CCCC1CC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030453950	0	55	0.0	-73.23	415.13	2.70	-70.53
COCC[N@H+]1CCCC1CC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030453950	1	55	0.0	-68.03	423.39	2.76	-65.27
CC1CC(NC(=O)C[NH+]2CCC(CO)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030453963	1	52	0.0	-71.68	398.40	0.49	-71.19
CC1CC(NC(=O)C[NH+]2CCCCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030453967	0	51	0.0	-64.41	377.33	3.42	-60.99
CC1CC(NC(=O)C[N+]2=CN(C)C=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030453972	0	43	0.0	-66.53	356.23	4.83	-61.70
CC1CC(NC(=O)C2CCC[N@H+](C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030453985	0	48	0.0	-69.58	370.97	2.97	-66.61
CC1CC(NC(=O)C2CCC[N@@H+](C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030453985	1	48	0.0	-63.59	364.86	3.18	-60.41
CC1CC(NC(=O)C2CCC[N@@H+]2C2CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030453990	0	49	0.0	-71.20	378.46	3.31	-67.89
CC1CC(NC(=O)C2CCC[N@H+]2C2CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030453990	1	49	0.0	-68.58	376.96	3.20	-65.38
CC(C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030454031	1	45	0.0	-70.84	354.22	2.41	-68.43
CCC(CC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030454043	0	53	0.0	-77.78	400.72	3.97	-73.81
CC1CC(NC(=O)C(C)(C)C[NH+](C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454052	0	50	0.0	-73.00	376.01	3.09	-69.91
CC1CC(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454076	0	50	0.0	-74.23	377.69	4.12	-70.11
CC1CC(NC(=O)C23CC(C2)C[N@H+]3C2CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454076	1	50	0.0	-72.26	379.26	4.29	-67.97
CC1CC(NC(=O)C[NH+]2CCC(O)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454104	1	49	0.0	-77.92	378.77	-0.13	-78.05
CC1CC(NC(=O)C[N@H+](C)C2CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454106	0	45	0.0	-69.92	355.59	2.78	-67.14
CC1CC(NC(=O)C[N@@H+](C)C2CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454106	1	45	0.0	-63.06	355.63	2.79	-60.27
CC(C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300030454107	1	53	0.0	-72.94	399.17	1.18	-71.76
CC1CC(NC(=O)CC2C[NH+](C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454143	0	45	0.0	-74.95	357.39	2.18	-72.77
CC1CC(NC(=O)C2CC[N@@H+]2C2CCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454147	0	52	0.0	-72.54	398.30	4.33	-68.21
CC1CC(NC(=O)C2CC[N@H+]2C2CCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454147	1	52	0.0	-72.50	396.79	4.17	-68.33
CC1CC(NC(=O)C2CC[N@@H+]2C(C)(C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454156	0	51	0.0	-62.31	388.06	3.10	-59.21
CC1CC(NC(=O)C2CC[N@H+]2C(C)(C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454156	1	51	0.0	-72.85	370.43	2.49	-70.36
CC1CC(NC(=O)C2CCN(C3=CC=[NH+]C=C3)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454169	0	51	0.0	-77.71	400.03	1.87	-75.84
C[C@@H](C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030454173	0	44	0.0	-69.45	344.00	1.74	-67.71
CCC1CCC[N@H+](CC(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030454232	0	54	0.0	-73.27	407.08	4.44	-68.83
CCC1CCC[N@@H+](CC(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030454232	1	54	0.0	-73.13	407.02	4.46	-68.67
CC1CC(NC(=O)C2=CC=C(C[NH+](C)C)N2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454242	0	49	0.0	-81.41	391.67	2.74	-78.67
CC1CC(NC(=O)CC2CC3CCC(C2)[NH+]3C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454259	0	55	0.0	-78.05	391.86	3.83	-74.22
CC1CC(NC(=O)CC(C2=CC=CC=C2)[NH+](C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454266	0	54	0.0	-73.20	414.47	5.27	-67.93
CC1CC(NC(=O)CN2C=CSC2=[NH2+])CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454314	0	41	0.0	-69.68	353.26	1.55	-68.13
CC1CC(NC(=O)CC[N@H+](C)CCO)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454327	0	48	0.0	-73.66	376.39	-0.66	-74.32
CC1CC(NC(=O)CC[N@@H+](C)CCO)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454327	1	48	0.0	-71.70	375.42	-0.73	-72.43
C[C@@H](C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030454328	0	44	0.0	-69.45	344.00	1.74	-67.71
CC1CC(NC(=O)[C@H]2CCCC[N@@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454333	0	48	0.0	-67.35	368.48	2.94	-64.41
CC1CC(NC(=O)[C@H]2CCCC[N@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454333	1	48	0.0	-72.05	358.98	2.77	-69.28
CC1CC(NC(=O)C2C[N@@H+]3CCN2CC3C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454344	0	51	0.0	-76.75	377.49	0.26	-76.49
CC1CC(NC(=O)C2C[N@H+]3CCN2CC3C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454344	1	51	0.0	-83.52	378.88	0.30	-83.22
COC1C[N@@H+]2CCCC2(C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030454398	0	53	0.0	-76.29	402.49	2.36	-73.93
COC1C[N@H+]2CCCC2(C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030454398	1	53	0.0	-73.71	400.88	2.17	-71.54
CC1CC(NC(=O)CC2=CC3=C[NH+]=CN3C=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454416	0	46	0.0	-67.54	380.77	5.57	-61.97
CC1CC(NC(=O)C[N@H+](C)C2CCSC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454453	0	49	0.0	-77.28	384.34	3.54	-73.74
CC1CC(NC(=O)C[N@@H+](C)C2CCSC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454453	1	49	0.0	-76.05	385.17	3.60	-72.45
CC1CC(NC(=O)C[NH+]2CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454454	1	42	0.0	-72.79	336.21	1.83	-70.96
CC1CC(NC(=O)C2=CC=NC(C[NH+](C)C)=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454498	1	50	0.0	-74.29	400.04	3.38	-70.91
CC1CC(NC(=O)C=C2CC[N@H+](C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454500	0	46	0.0	-74.70	363.85	2.85	-71.85
CC1CC(NC(=O)C=C2CC[N@@H+](C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454500	1	46	0.0	-73.67	363.81	2.83	-70.84
CC1CC(NC(=O)C2C[NH+](C3CCCCC3)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454531	0	55	0.0	-75.76	417.93	4.70	-71.06
CC1CC(NC(=O)COCC[NH+](C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454552	0	48	0.0	-71.21	381.81	2.41	-68.80
CCCCC[N@H+](C)CCC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030454560	0	56	0.0	-73.54	429.58	4.83	-68.71
CCCCC[N@@H+](C)CCC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030454560	1	56	0.0	-69.59	430.96	4.90	-64.69
CC1CC(NC(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454572	0	52	0.0	-73.22	404.89	3.33	-69.89
C=CCC(C)(C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030454584	0	51	0.0	-76.73	377.63	3.16	-73.57
CC1CC(NC(=O)C(O)CC[S+](C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454589	0	47	0.0	-83.76	390.80	1.00	-82.76
CC1CC(NC(=O)C2(C)CC(O)C[N@@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454632	0	49	0.0	-76.79	375.52	-0.50	-77.29
CC1CC(NC(=O)C2CN(C)CC[N@H+](C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454647	0	53	0.0	-70.05	396.13	1.53	-68.52
CC1CC(NC(=O)C2CN(C)CC[N@@H+](C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454647	1	53	0.0	-70.05	396.13	1.53	-68.52
CC(C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300030454648	0	52	0.0	-73.61	394.99	0.44	-73.17
CC1CC(NC(=O)CN2CCC(CO)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454666	0	52	0.0	-71.68	398.40	0.49	-71.19
CC1CC(NC(=O)C[NH+]2CCC(CO)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454666	1	52	0.0	-71.68	398.40	0.49	-71.19
CC1CC(NC(=O)CC2(O)CCC[N@H+](C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454677	0	52	0.0	-64.52	386.94	1.50	-63.02
CC1CC(NC(=O)CC2(O)CCC[N@@H+](C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454677	1	52	0.0	-64.52	386.94	1.50	-63.02
CC1CN(CC(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030454681	0	45	0.0	-70.21	356.36	2.40	-67.81
CC1C[NH+](CC(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030454681	1	45	0.0	-70.21	356.36	2.40	-67.81
CC1CC(NC(=O)CN(C)CCO)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454713	0	45	0.0	-68.35	354.45	-1.19	-69.54
CC1CC(NC(=O)C[N@H+](C)CCO)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454713	1	45	0.0	-73.92	354.04	-1.22	-75.14
CC1CC(NC(=O)C[N@@H+](C)CCO)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454713	1	45	0.0	-73.92	354.04	-1.22	-75.14
CC1CC(NC(=O)C=C2CC3CCC(C2)[NH+]3C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454746	0	53	0.0	-72.27	399.04	4.27	-68.00
CC1CC(NC(=O)C2C[N@@H+]3CCN2CCC3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454751	0	51	0.0	-81.60	373.08	0.61	-80.99
CC1CC(NC(=O)C2C[N@H+]3CCN2CCC3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454751	1	51	0.0	-81.60	373.08	0.61	-80.99
CC[N@@H+]1CCCC(C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030454762	0	51	0.0	-72.57	388.56	3.65	-68.92
CC[N@H+]1CCCC(C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030454762	1	51	0.0	-72.57	388.56	3.65	-68.92
CC(CC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030454764	0	50	0.0	-76.72	383.08	3.33	-73.39
CC[N@H+](C)CC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030454782	0	44	0.0	-72.47	343.67	2.03	-70.44
CC1CC(NC(=O)C23CCC[N@@H+]2CCCC3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454814	0	52	0.0	-64.94	378.79	3.86	-61.08
CC1CC(NC(=O)C23CCC[N@H+]2CCCC3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454814	1	52	0.0	-64.94	378.79	3.86	-61.08
CC1CC(NC(=O)C23CCC[N@@H+]2CC=CC3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454824	0	50	0.0	-66.54	374.15	3.67	-62.87
CC1CC(NC(=O)C23CCC[N@H+]2CC=CC3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454824	1	50	0.0	-66.54	374.15	3.67	-62.87
CC[N@H+](CC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030454857	0	48	0.0	-66.28	373.58	3.34	-62.94
CC[N@@H+](CC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030454857	1	48	0.0	-70.14	372.00	3.37	-66.77
CC1CC(NC(=O)C2([NH+](C)C)CCCSC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454860	0	52	0.0	-82.21	388.86	3.82	-78.39
CC[NH+](CC)CCC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030454882	0	50	0.0	-73.89	383.89	3.28	-70.61
CC1CC(NC(=O)C=C2CC[NH+](C)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454904	0	49	0.0	-74.60	379.45	3.61	-70.99
CC1CC(NC(=O)C[NH+]2CC(C)(C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454923	1	48	0.0	-73.09	376.83	3.01	-70.08
CC1CC(NC(=O)CCCC[NH+]2CCCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454929	0	57	0.0	-74.75	432.49	5.34	-69.41
CC1CC(NC(=O)C[N@@H+]2CCC(C)(O)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454967	0	49	0.0	-65.04	382.72	-0.25	-65.29
CC1CC(NC(=O)C[N@H+]2CCC(C)(O)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454967	1	49	0.0	-71.02	381.86	-0.23	-71.25
CC1CC(NC(=O)C=CC[NH+](C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454980	0	45	0.0	-78.61	363.17	2.61	-76.00
CC(OCC[NH+](C)C)C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030455011	0	51	0.0	-62.15	402.03	3.11	-59.04
CC1CC(NC(=O)CCOCC[NH+](C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455024	0	51	0.0	-73.22	402.71	2.14	-71.08
COCC[N@H+](C)CC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030455025	1	48	0.0	-73.96	376.30	1.20	-72.76
COCC[N@@H+](C)CC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030455025	1	48	0.0	-68.53	376.71	1.22	-67.31
COCCCC[N@H+](C)CCC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030455063	0	57	0.0	-76.46	441.75	3.12	-73.34
COCCCC[N@@H+](C)CCC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030455063	1	57	0.0	-72.35	443.14	3.19	-69.16
CC1CC(NC(=O)C2([NH+](C)C)CCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455091	0	51	0.0	-77.24	377.23	3.76	-73.48
CC(CCC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030455094	0	50	0.0	-75.73	379.29	3.09	-72.64
CC[N@@H+]1CCC1C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030455105	1	45	0.0	-72.41	357.86	2.34	-70.07
CC[N@H+]1CCC1C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030455105	1	45	0.0	-72.25	357.96	2.34	-69.91
CC(C)[N@@H+]1CCCC(C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030455121	0	54	0.0	-66.51	398.99	4.34	-62.17
CC(C)[N@H+]1CCCC(C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030455121	1	54	0.0	-66.40	398.94	4.34	-62.06
CC1CC(NC(=O)C2CCN(C3=[NH+]C=CN3C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455122	1	52	0.0	-63.94	408.97	3.97	-59.97
CC(C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300030455129	0	54	0.0	-69.60	421.29	5.37	-64.23
CC(C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300030455129	1	54	0.0	-64.73	421.32	5.34	-59.39
CC1CC(NC(=O)C[N@@H+]2CCCC2CO)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455138	0	49	0.0	-71.78	375.86	-0.55	-72.33
CC1CC(NC(=O)C[N@H+]2CCCC2CO)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455138	1	49	0.0	-71.97	381.05	-0.10	-72.07
CC1CC(NC(=O)C2CC3CCCC[N@@H+]3C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455171	0	52	0.0	-77.46	393.84	4.12	-73.34
CC1CC(NC(=O)C2CC3CCCC[N@H+]3C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455171	1	52	0.0	-66.36	392.06	4.05	-62.31
CC1CC(NC(=O)C2(C)CC[NH+](C)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455182	0	51	0.0	-75.74	383.58	3.42	-72.32
CC1CC(NC(=O)C2=CC(C[NH+](C)C)=CN2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455189	0	49	0.0	-78.06	392.26	2.66	-75.40
CC(C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300030455211	0	52	0.0	-72.20	389.30	0.18	-72.02
C#CC1(O)CC[NH+](C(C)C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030455220	0	54	0.0	-72.61	419.65	1.20	-71.41
C=CCC(C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030455232	0	48	0.0	-62.18	372.99	3.05	-59.13
CC1CC(NC(=O)C23CCC([NH+](C)C)(CC2)CC3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455245	0	58	0.0	-82.08	416.03	4.57	-77.51
CC1CC(NC(=O)C2CC(C)(C)C[N@@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455253	0	51	0.0	-70.24	386.79	2.97	-67.27
CC1CC(NC(=O)C2CC(C)(C)C[N@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455253	1	51	0.0	-74.64	385.80	3.06	-71.58
CC1CC(NC(=O)CCCCC[NH+](C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455258	0	53	0.0	-75.64	412.75	4.27	-71.37
CC1CC(NC(=O)C[NH+]2CC3CC3C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455270	0	46	0.0	-65.89	361.70	3.26	-62.63
CC1CC(NC(=O)C2CCC2[N@@H+]2CCOC(C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455291	0	56	0.0	-68.82	407.07	3.37	-65.45
CC1CC(NC(=O)C2CCC2[N@H+]2CCOC(C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455291	1	56	0.0	-71.84	429.90	3.24	-68.60
CC1CC(NC(=O)C2C[N@@H+]3CCN2C(C)C3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455319	0	51	0.0	-85.89	378.91	0.37	-85.52
CC1CC(NC(=O)C2C[N@H+]3CCN2C(C)C3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455319	1	51	0.0	-71.87	378.02	0.30	-71.57
CCCC(C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030455321	0	50	0.0	-70.60	381.49	3.30	-67.30
CC1CC(NC(=O)C(C)(C)[NH+](C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455327	0	47	0.0	-76.73	353.60	2.52	-74.21
CC[NH+](CC)CCSCC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030455376	0	54	0.0	-78.05	424.09	4.38	-73.67
CC1CC(NC(=O)C2CCCC[N@@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455388	0	48	0.0	-68.21	359.09	2.78	-65.43
CC1CC(NC(=O)C2CCCC[N@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455388	1	48	0.0	-71.99	358.58	2.76	-69.23
CC1CC(NC(=O)CC2=CC[N@H+](C)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455450	0	49	0.0	-71.14	385.16	3.65	-67.49
CC1CC(NC(=O)CC2=CC[N@@H+](C)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455450	1	49	0.0	-67.98	384.14	3.64	-64.34
CC1CC(NC(=O)CC2([NH+]3CCCC3)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455463	0	52	0.0	-70.33	391.19	4.08	-66.25
CC1CC(NC(=O)C2(C[NH+]3CCCC3)CCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455490	0	58	0.0	-83.04	424.35	5.65	-77.39
CC1CC(NC(=O)C(C)(C)C2CCC[N@H+](C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455530	0	57	0.0	-71.08	408.72	4.02	-67.06
CC1CC(NC(=O)C(C)(C)C2CCC[N@@H+](C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455530	1	57	0.0	-71.08	408.72	4.02	-67.06
CC1CC(NC(=O)C2=CC=C(CN(C)C)O2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455535	0	48	0.0	-83.43	390.44	3.15	-80.28
CC1CC(NC(=O)C2=CC=C(C[NH+](C)C)O2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455535	1	48	0.0	-83.43	390.44	3.15	-80.28
CC1CC(NC(=O)C=CC[NH+]2CCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455562	0	49	0.0	-77.21	388.25	3.78	-73.43
CC1CC(NC(=O)C2CC[NH+](C3CC3)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455594	0	52	0.0	-66.59	400.26	4.44	-62.15
CC1CC(NC(=O)C2C[N@H+](C)CC2C(F)(F)F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455619	0	48	0.0	-73.95	389.31	3.18	-70.77
CC1CC(NC(=O)C2C[N@@H+](C)CC2C(F)(F)F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455619	1	48	0.0	-73.95	389.31	3.18	-70.77
CC1CC(NC(=O)CC[NH+]2CCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455625	0	48	0.0	-67.86	374.70	3.11	-64.75
CC1CC(NC(=O)C2CC(=O)N(C3CN(C)C3)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455636	0	53	0.0	-75.34	414.79	2.07	-73.27
CC1CC(NC(=O)C2CC(=O)N(C3C[NH+](C)C3)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455636	1	53	0.0	-75.34	414.79	2.07	-73.27
CC1CC(NC(=O)C23CC(C2)C[N@@H+]3C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455698	0	46	0.0	-75.53	357.28	2.45	-73.08
CC1=C(C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C=NN1CC[NH+](C)C	REAL300030455714	0	54	0.0	-80.91	425.23	3.29	-77.62
CC1CC(NC(=O)C[N@@H+]2CC3CCC2C3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455717	0	49	0.0	-71.15	373.33	3.45	-67.70
CC1CC(NC(=O)C[N@H+]2CC3CCC2C3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455717	1	49	0.0	-71.15	373.33	3.45	-67.70
CC(C)[NH+]1CCC(CC(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030455734	0	57	0.0	-71.89	419.79	4.67	-67.22
CC1CC(NC(=O)C=C2C[NH+]3CCC2CC3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455789	0	50	0.0	-67.11	382.57	3.80	-63.31
CC1CC(NC(=O)CN2CC3C=CC2C3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455802	0	47	0.0	-69.79	364.75	3.23	-66.56
CC1CC(NC(=O)C[N@@H+]2CC3C=CC2C3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455802	1	47	0.0	-69.69	364.99	3.21	-66.48
CC1CC(NC(=O)C[N@H+]2CC3C=CC2C3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455802	1	47	0.0	-69.69	364.99	3.21	-66.48
CC1CC(NC(=O)C(C[NH+](C)C)C2=CC=CC=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455845	0	54	0.0	-83.29	421.79	5.42	-77.87
CC[NH+]1CCN(CC(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030455848	0	53	0.0	-70.52	402.65	1.53	-68.99
CC(C[NH+](C)C)C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030455879	0	47	0.0	-74.66	364.40	2.64	-72.02
CC1CC(NC(=O)CC2CCCC[N@@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455991	0	51	0.0	-75.89	385.52	3.56	-72.33
CC1CC(NC(=O)CC2CCCC[N@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455991	1	51	0.0	-75.89	385.49	3.55	-72.34
CC1=C2C=C(C(=O)NC3CC(C)N(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030456014	1	46	0.0	-78.41	378.30	5.42	-72.99
CC(C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300030456015	1	48	0.0	-70.88	373.42	3.06	-67.82
CC1CC[N@@H+]1CC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030456019	1	45	0.0	-70.35	352.15	2.15	-68.20
CC1CC[N@H+]1CC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030456019	1	45	0.0	-71.17	357.37	2.39	-68.78
CC1CC(NC(=O)CC(O)C[NH+](C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456024	0	48	0.0	-78.74	378.43	0.38	-78.36
CC1CC(NC(=O)C2C[N@H+](C)CC(C)O2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456065	1	49	0.0	-83.18	377.43	2.35	-80.83
CC1CC(NC(=O)C2C[N@@H+](C)CC(C)O2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456065	1	49	0.0	-79.58	376.20	2.05	-77.53
CC1CC(NC(=O)CC[NH+]2CCC(O)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456079	0	52	0.0	-76.97	400.58	0.41	-76.56
CCC[N@@H+]1CCCCC1C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030456082	0	54	0.0	-68.38	406.13	4.31	-64.07
CCC[N@H+]1CCCCC1C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030456082	1	54	0.0	-70.87	407.61	4.33	-66.54
CC[NH+]1CCN(CCC(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030456086	0	56	0.0	-68.91	424.98	2.05	-66.86
CCN1CC[NH+](CCC(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030456086	1	56	0.0	-75.01	424.55	2.01	-73.00
CC1CC(NC(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456089	0	55	0.0	-70.22	395.40	4.05	-66.17
CC1CC(NC(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456089	1	55	0.0	-62.55	400.60	4.82	-57.73
CC(C)C[NH+]1CCC(C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030456143	0	57	0.0	-69.18	427.43	5.11	-64.07
CC1CC(NC(=O)CN2CCC([NH+](C)C)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456176	0	56	0.0	-73.87	419.34	2.05	-71.82
CC1CC(NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456201	0	48	0.0	-70.94	375.48	3.06	-67.88
CC(CC[NH+](C)C)C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030456211	0	50	0.0	-74.59	385.97	3.25	-71.34
CC1CC(NC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456249	0	52	0.0	-64.75	397.36	0.58	-64.17
CC1CC(NC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456249	1	52	0.0	-62.07	396.84	0.78	-61.29
C#CC[N@H+]1CCCCC1C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030456259	1	50	0.0	-72.13	384.19	3.96	-68.17
C#CC[N@@H+]1CCCCC1C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030456259	1	50	0.0	-69.13	383.90	3.95	-65.18
CC1CC(NC(=O)C(CC2=CC=CC=C2)[NH+](C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456265	0	54	0.0	-84.48	414.08	5.28	-79.20
CC1CC(NC(=O)CN2CC[NH+](C)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456267	1	50	0.0	-71.24	384.91	0.84	-70.40
CC[NH+]1CCN(CC(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030456280	0	53	0.0	-70.52	402.65	1.53	-68.99
CC1CC(NC(=O)CSC(N)=[NH2+])CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456313	0	39	0.0	-75.90	333.81	-1.70	-77.60
CC[N@@H+]1CCOCC1CC(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030456367	0	52	0.0	-77.07	393.71	1.83	-75.24
CC1CC(NC(=O)C2(CC[NH+](C)C)CCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456389	0	57	0.0	-67.37	422.07	5.03	-62.34
CC1CC(NC(=O)CC[NH+]2C(C)CCCC2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456391	0	57	0.0	-70.12	420.19	4.49	-65.63
CC1CC(NC(=O)C2CCC([NH+](C)C)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456394	0	54	0.0	-51.09	398.66	4.04	-47.05
CC1CC(NC(=O)C2(CC[NH+](C)C)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456395	0	51	0.0	-84.54	400.38	3.86	-80.68
CC1CC(NC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456399	0	54	0.0	-51.16	398.67	4.05	-47.11
CC1CC(NC(=O)CC2CC=CC[N@@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456400	0	49	0.0	-78.77	377.58	3.40	-75.37
CC1CC(NC(=O)CC2CC=CC[N@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456400	1	49	0.0	-78.77	377.58	3.40	-75.37
C[C@@H](OCC[NH+](C)C)C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030456437	0	51	0.0	-73.09	401.55	3.08	-70.01
CC1CC(NC(=O)C2CC3CCC(C2)[NH+]3C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456481	0	52	0.0	-76.22	368.66	3.79	-72.43
CC1CC(NC(=O)C2(C3(O)CC[NH+](C)CC3)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456609	0	56	0.0	-67.88	415.47	2.22	-65.66
CC1CC(NC(=O)C2(CC[NH+]3CCCCC3)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456638	0	58	0.0	-82.55	442.08	5.78	-76.77
CC(C(=O)NC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300030456664	1	49	0.0	-68.46	381.74	3.21	-65.25
CCC1C[NH+](CC(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030456667	1	48	0.0	-71.36	377.55	3.12	-68.24
CC1CC(NC(=O)C2C[NH+](C3CCOCC3)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456669	0	53	0.0	-68.85	409.56	2.33	-66.52
CC1CC(NC(=O)C2([NH+]3CCCC3)CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456671	0	52	0.0	-76.63	386.21	4.01	-72.62
CC1CC(NC(=O)[C@@H]2CCC[N@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456683	1	45	0.0	-67.09	350.52	2.27	-64.82
CC1CC(NC(=O)CC[N@H+]2CCC(F)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456693	1	48	0.0	-80.02	380.11	3.16	-76.86
COC1C[N@@H+](C)C(C)(C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030456704	1	52	0.0	-77.30	395.94	2.01	-75.29
CC1CC(NC(=O)CC[NH+]2CCCCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456718	0	54	0.0	-76.64	399.96	3.98	-72.66
CC1CC(NC(=O)C[NH+]2CCCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456722	0	48	0.0	-72.46	367.66	3.21	-69.25
CC1CC(NC(=O)C2CC[N@H+](C)C2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456732	0	48	0.0	-72.15	368.16	2.78	-69.37
CC1CC(NC(=O)C2CC[N@@H+](C)C2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456732	1	48	0.0	-72.66	366.38	2.50	-70.16
CC1CC(NC(=O)CCC2CCCC[N@@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456735	0	54	0.0	-75.99	400.28	4.07	-71.92
CC1CC(NC(=O)CCC2CCCC[N@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456735	1	54	0.0	-75.54	399.87	4.08	-71.46
CC1CC(NC(=O)C2CC[N@@H+]3CCOCC23)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456780	0	50	0.0	-68.29	385.37	1.63	-66.66
CC1CC(NC(=O)C2CC[N@H+]3CCOCC23)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456780	1	50	0.0	-71.22	382.78	1.49	-69.73
CC1=[NH+]C=C2C=CC(C(=O)NC3CC(C)N(C(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300030456789	0	46	0.0	-71.21	377.52	4.64	-66.57
CC1CC(NC(=O)CC2COCCN2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456812	0	49	0.0	-79.94	376.85	1.19	-78.75
CC1CC(NC(=O)CC2COCC[N@@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456812	1	49	0.0	-71.11	369.46	1.03	-70.08
CC1CC(NC(=O)CC2COCC[N@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456812	1	49	0.0	-79.94	376.85	1.19	-78.75
CC1=C(C)[NH+]=C(CCC(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030456826	1	49	0.0	-68.60	396.17	2.63	-65.97
CC1CC(NC(=O)C2=CC=CC(CC[NH+](C)C)=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456839	0	54	0.0	-76.08	426.59	5.67	-70.41
CC1CC(NC(=O)C2CCN2CC2=CC=CC=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456844	0	52	0.0	-71.20	409.70	5.22	-65.98
CC1CC(NC(=O)C2CC[N@@H+]2CC2=CC=CC=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456844	1	52	0.0	-70.90	410.76	5.00	-65.90
CC1CC(NC(=O)C2CC[N@H+]2CC2=CC=CC=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456844	1	52	0.0	-71.20	409.70	5.22	-65.98
CC(C)C[N@@H+]1CCCC(C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030456848	0	57	0.0	-72.40	427.45	5.07	-67.33
CC(C)C[N@H+]1CCCC(C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030456848	1	57	0.0	-72.13	427.05	5.07	-67.06
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CCC[N@@H+]1C	REAL300030457007	0	45	0.0	-60.89	347.79	1.96	-58.93
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CCC[N@H+]1C	REAL300030457007	1	45	0.0	-59.05	352.17	2.29	-56.76
CC1=[NH+]C=CN1CCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030457202	1	49	0.0	-61.03	398.85	4.37	-56.66
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCCC[NH+]1CCOCC1	REAL300030457206	1	55	0.0	-67.05	426.14	3.08	-63.97
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300030457210	0	51	0.0	-68.09	400.08	4.41	-63.68
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC[NH+]1CCOCC1	REAL300030457211	1	49	0.0	-65.58	384.21	1.46	-64.12
CCC[NH+](CCC)CCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030457233	0	59	0.0	-63.66	450.43	5.70	-57.96
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300030457265	1	43	0.0	-69.24	364.86	4.87	-64.37
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CCCC([NH+](C)C)C1	REAL300030457344	0	54	0.0	-61.32	395.27	3.88	-57.44
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1CC[N@H+](C)C1	REAL300030457351	0	48	0.0	-64.50	374.05	3.07	-61.43
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1CC[N@@H+](C)C1	REAL300030457351	1	48	0.0	-64.72	374.56	3.01	-61.71
CCC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300030457368	0	47	0.0	-61.82	358.54	2.50	-59.32
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300030457378	1	46	0.0	-67.71	384.43	3.02	-64.69
CC1CC2CCC(C(=O)N3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C)C[N@@H+]2C1	REAL300030457428	0	55	0.0	-60.28	412.49	4.52	-55.76
CC1CC2CCC(C(=O)N3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C)C[N@H+]2C1	REAL300030457428	1	55	0.0	-60.05	412.70	4.50	-55.55
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCCC[NH+](C)C	REAL300030457462	0	50	0.0	-65.30	393.24	3.61	-61.69
CCC[N@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030457485	0	50	0.0	-63.86	389.51	3.42	-60.44
CCC[N@@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030457485	1	50	0.0	-63.88	389.51	3.42	-60.46
CCC[N@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030457490	0	47	0.0	-61.40	367.20	2.85	-58.55
CCC[N@@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030457490	1	47	0.0	-61.09	367.11	2.86	-58.23
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C12CC[N@H+](C1)CCC2	REAL300030457515	0	49	0.0	-64.39	358.72	2.23	-62.16
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300030457515	1	49	0.0	-63.45	359.55	2.25	-61.20
CCCCCC[N@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030457559	0	56	0.0	-62.18	431.60	5.21	-56.97
CCCCCC[N@@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030457559	1	56	0.0	-62.44	431.69	5.20	-57.24
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[NH+]1CCC(C)CC1	REAL300030457612	0	51	0.0	-60.97	391.55	3.90	-57.07
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300030457640	1	46	0.0	-73.40	383.83	2.53	-70.87
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)COC1CC[NH+](C)CC1	REAL300030457648	0	52	0.0	-68.65	407.84	3.50	-65.15
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC2CCCC[N@@H+]2C1	REAL300030457710	0	52	0.0	-60.73	394.57	4.01	-56.72
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC2CCCC[N@H+]2C1	REAL300030457710	1	52	0.0	-59.99	392.17	4.05	-55.94
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1(C[NH+](C)C)CC1	REAL300030457729	0	48	0.0	-60.73	378.06	3.02	-57.71
CC1=[NH+]C=C2CCC(C(=O)N3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C)CN21	REAL300030457730	1	50	0.0	-57.65	396.36	4.03	-53.62
CC(C)[NH+]1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300030457741	0	54	0.0	-62.53	402.82	3.93	-58.60
CC[N@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030457776	0	47	0.0	-63.29	368.01	2.68	-60.61
CC[N@@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030457776	1	47	0.0	-63.30	369.05	2.68	-60.62
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300030457815	0	58	0.0	-62.10	432.32	5.24	-56.86
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300030457815	1	58	0.0	-62.67	431.46	5.26	-57.41
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1C[NH+]2CCC1CC2	REAL300030457832	0	49	0.0	-65.45	367.42	2.99	-62.46
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC[NH+](C)CC1	REAL300030457923	0	48	0.0	-64.86	372.09	2.99	-61.87
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC[NH+](CC2CC2)CC1	REAL300030458022	0	55	0.0	-64.35	421.27	5.18	-59.17
CC[NH+](CC)CC(F)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030458070	0	50	0.0	-65.17	390.21	3.33	-61.84
CC(C)C[N@@H+]1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030458106	0	54	0.0	-61.74	408.12	4.26	-57.48
CC(C)C[N@H+]1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030458106	1	54	0.0	-61.76	408.94	4.26	-57.50
CCC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](CC)CC	REAL300030458139	0	53	0.0	-54.71	389.82	3.39	-51.32
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@@H+]1CCCC1C	REAL300030458165	0	48	0.0	-58.77	367.82	2.84	-55.93
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@H+]1CCCC1C	REAL300030458165	1	48	0.0	-58.00	366.59	2.82	-55.18
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030458263	1	52	0.0	-57.37	413.33	4.63	-52.74
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1CCCCCC1	REAL300030458267	0	54	0.0	-57.67	395.37	3.86	-53.81
CC(C)[N@@H+]1CCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030458301	0	51	0.0	-57.10	382.56	3.35	-53.75
CC(C)[N@H+]1CCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030458301	1	51	0.0	-57.15	376.31	3.62	-53.53
CC(C)[N@@H+]1CCCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030458314	0	54	0.0	-56.99	398.66	4.01	-52.98
CC(C)[N@H+]1CCCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030458314	1	54	0.0	-60.50	408.59	4.12	-56.38
CC1CC[N@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030458371	0	48	0.0	-60.90	374.36	3.21	-57.69
CC1CC[N@@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030458371	1	48	0.0	-59.14	374.67	3.13	-56.01
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1(F)CC[N@@H+](C(C)(C)C)C1	REAL300030458372	0	54	0.0	-59.30	407.59	3.58	-55.72
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1(F)CC[N@H+](C(C)(C)C)C1	REAL300030458372	1	54	0.0	-62.40	407.51	3.69	-58.71
CC1=[NH+]C=C2CC(C(=O)N3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C)CCN21	REAL300030458373	1	50	0.0	-59.10	392.94	3.91	-55.19
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300030458375	0	54	0.0	-83.57	420.28	5.12	-78.45
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300030458377	0	51	0.0	-59.87	393.45	3.70	-56.17
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@H+]1CCC(C)(C)C1	REAL300030458377	1	51	0.0	-59.82	392.84	3.67	-56.15
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@H+](C)CC(C)(C)C	REAL300030458378	0	53	0.0	-60.42	398.11	4.00	-56.42
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@@H+](C)CC(C)(C)C	REAL300030458378	1	53	0.0	-60.86	395.80	3.84	-57.02
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300030458379	0	54	0.0	-65.40	427.02	5.88	-59.52
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300030458379	1	54	0.0	-65.75	427.11	5.88	-59.87
CC[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300030458388	0	47	0.0	-60.41	357.71	2.54	-57.87
CC(COCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1CCCC1	REAL300030458395	0	55	0.0	-63.25	427.96	4.25	-59.00
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCN(C)C1=CC=[NH+]C=C1	REAL300030458562	0	50	0.0	-60.62	403.44	3.11	-57.51
CC1=[NH+]C=CN1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030458680	1	43	0.0	-59.38	358.86	3.07	-56.31
CC(C[NH+]1CCOCC1)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030458682	1	52	0.0	-63.02	396.35	1.91	-61.11
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCC[NH+]1CCCCC1	REAL300030458700	0	54	0.0	-63.80	414.00	4.65	-59.15
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300030458720	1	47	0.0	-73.46	384.00	2.65	-70.81
CC1=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C=CC2=C[NH+]=CN21	REAL300030458722	0	46	0.0	-63.95	379.92	5.04	-58.91
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030458782	1	49	0.0	-57.63	393.71	4.17	-53.46
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300030458837	0	52	0.0	-55.71	394.90	4.16	-51.55
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CCCC2CCC[N@H+]21	REAL300030458837	1	52	0.0	-58.29	385.02	3.81	-54.48
CC[N@@H+]1CCOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030458878	1	49	0.0	-67.61	379.80	2.32	-65.29
CC[N@H+]1CCOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030458878	1	49	0.0	-64.31	372.77	2.12	-62.19
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300030458952	0	43	0.0	-70.56	364.77	4.85	-65.71
CC1=C[NH+]=CN1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030458957	1	43	0.0	-61.78	357.73	3.79	-57.99
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300030458963	0	51	0.0	-72.98	405.95	2.52	-70.46
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300030458977	0	51	0.0	-65.92	409.42	3.09	-62.83
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300030458984	0	48	0.0	-62.71	365.83	2.72	-59.99
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300030458984	1	48	0.0	-64.64	370.40	2.66	-61.98
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030458987	1	52	0.0	-57.58	414.92	4.67	-52.91
CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)CC[N@@H+]1C	REAL300030458990	0	51	0.0	-63.76	383.30	2.97	-60.79
CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)CC[N@H+]1C	REAL300030458990	1	51	0.0	-62.69	387.38	3.33	-59.36
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[NH+]1C(C)CCC1C	REAL300030459013	0	51	0.0	-57.32	384.96	3.32	-54.00
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCC[NH+]1CCCC1	REAL300030459023	0	51	0.0	-63.20	396.97	3.95	-59.25
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300030459024	0	51	0.0	-73.52	404.30	4.52	-69.00
C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300030459033	0	50	0.0	-65.68	396.11	4.11	-61.57
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC[NH+]1CCCCC1	REAL300030459034	0	51	0.0	-62.57	392.96	3.89	-58.68
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CN1C=[NH+]C2=C1CCCC2	REAL300030459056	1	50	0.0	-60.47	399.56	5.52	-54.95
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1(C[NH+](C)C)CCCCC1	REAL300030459091	0	57	0.0	-60.66	405.27	4.29	-56.37
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC[N@H+](C)C1CCCCC1	REAL300030459095	0	57	0.0	-61.77	427.87	5.07	-56.70
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC[N@@H+](C)C1CCCCC1	REAL300030459095	1	57	0.0	-63.42	426.33	5.07	-58.35
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1([NH+](C)C)CCCC1	REAL300030459098	0	54	0.0	-62.91	390.62	3.90	-59.01
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1	REAL300030459113	1	52	0.0	-69.71	410.94	2.63	-67.08
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=NNC(C2CCC[N@H+]2C)=C1	REAL300030459113	1	52	0.0	-69.97	412.11	2.74	-67.23
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@H+](C)C1CCC1	REAL300030459342	0	48	0.0	-59.29	374.00	3.42	-55.87
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@@H+](C)C1CCC1	REAL300030459342	1	48	0.0	-59.60	374.19	3.42	-56.18
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1C(C)CCC1C	REAL300030459376	0	54	0.0	-53.53	395.25	3.39	-50.14
CC[NH+](CC)CC1=CC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)O1	REAL300030459393	0	54	0.0	-60.92	425.22	4.59	-56.33
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCCC[NH+]1CCCC1	REAL300030459398	0	54	0.0	-64.79	418.67	4.66	-60.13
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300030459401	1	51	0.0	-64.11	404.53	5.05	-59.06
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300030459401	1	51	0.0	-64.40	404.63	5.03	-59.37
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC[NH+](C)CC1	REAL300030459417	0	48	0.0	-64.86	372.09	2.99	-61.87
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)[C@H]1CCC[N@@H+]1C	REAL300030459478	0	45	0.0	-58.06	350.60	2.25	-55.81
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)[C@H]1CCC[N@H+]1C	REAL300030459478	1	45	0.0	-60.17	347.58	1.96	-58.21
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCC1CCC[N@@H+]1C	REAL300030459507	0	51	0.0	-63.29	392.91	3.84	-59.45
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCC1CCC[N@H+]1C	REAL300030459507	1	51	0.0	-62.20	391.47	3.83	-58.37
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300030459524	0	52	0.0	-55.38	394.86	4.28	-51.10
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CCC2CCCC[N@H+]21	REAL300030459524	1	52	0.0	-55.99	394.87	4.22	-51.77
CCC[N@@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030459619	0	54	0.0	-63.10	403.13	4.26	-58.84
CCC[N@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030459619	1	54	0.0	-62.52	411.12	4.34	-58.18
CC(C)[N@@H+]1CCOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030459636	1	52	0.0	-64.95	396.35	2.82	-62.13
CC(C)[N@H+]1CCOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030459636	1	52	0.0	-59.52	389.85	2.68	-56.84
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[NH+]1CCC(CO)CC1	REAL300030459723	0	52	0.0	-62.57	402.37	0.58	-61.99
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C=C1CC2CCC(C1)[NH+]2C	REAL300030459771	0	53	0.0	-65.62	401.16	4.36	-61.26
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC[N@H+](C)C1C	REAL300030459790	0	48	0.0	-64.69	366.14	2.41	-62.28
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC[N@@H+](C)C1C	REAL300030459790	1	48	0.0	-62.95	369.80	3.01	-59.94
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCC1CCCC[N@@H+]1C	REAL300030459794	0	54	0.0	-63.41	401.72	4.19	-59.22
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCC1CCCC[N@H+]1C	REAL300030459794	1	54	0.0	-60.55	403.27	4.23	-56.32
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC2=C(CCC2)[NH+]=C1N	REAL300030459831	1	48	0.0	-55.27	380.91	2.22	-53.05
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300030459910	0	51	0.0	-58.16	389.38	3.12	-55.04
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC[N@H+]1C(C)(C)C	REAL300030459910	1	51	0.0	-58.21	366.78	2.47	-55.74
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300030459930	0	51	0.0	-64.24	400.15	1.76	-62.48
C[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300030459936	0	44	0.0	-60.67	343.02	1.74	-58.93
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=NC(C[NH+](C)C)=C1	REAL300030459957	1	50	0.0	-70.85	399.24	3.07	-67.78
C=CCC(C)(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300030459963	0	51	0.0	-56.22	371.90	2.92	-53.30
CC[NH+](CC)CCSCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030460001	0	54	0.0	-65.37	430.47	4.78	-60.59
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=C(N)C2=CC=CC=C2[NH+]=C1	REAL300030460002	1	47	0.0	-55.27	378.73	1.57	-53.70
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC[NH+]1CCCC1	REAL300030460007	0	48	0.0	-63.04	375.69	3.06	-59.98
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@H+](C)CCO	REAL300030460016	1	45	0.0	-61.47	355.97	-1.13	-62.60
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@@H+](C)CCO	REAL300030460016	1	45	0.0	-61.37	355.83	-1.14	-62.51
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1C[N@@H+]2CCN1CCC2	REAL300030460059	0	51	0.0	-67.96	372.59	0.88	-67.08
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1C[N@H+]2CCN1CCC2	REAL300030460059	1	51	0.0	-67.47	372.63	0.88	-66.59
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1CCSCC1	REAL300030460098	1	49	0.0	-61.35	379.96	3.07	-58.28
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1=CC[N@H+](C)CC1	REAL300030460147	0	49	0.0	-65.36	388.42	3.79	-61.57
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1=CC[N@@H+](C)CC1	REAL300030460147	1	49	0.0	-64.23	388.45	3.79	-60.44
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC(=O)N(C2C[NH+](C)C2)C1	REAL300030460158	1	53	0.0	-72.63	416.41	2.25	-70.38
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C(O)CC[S+](C)C	REAL300030460166	0	47	0.0	-62.40	388.16	0.78	-61.62
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CN(C)CC[N@H+](C)C1	REAL300030460214	0	53	0.0	-62.43	402.18	1.45	-60.98
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CN(C)CC[N@@H+](C)C1	REAL300030460214	1	53	0.0	-63.29	394.82	1.22	-62.07
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[N@@H+]1CCCC(O)C1	REAL300030460215	0	52	0.0	-57.55	396.45	0.49	-57.06
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[N@H+]1CCCC(O)C1	REAL300030460215	1	52	0.0	-56.02	396.88	0.53	-55.49
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1(O)CCC[N@H+](C)C1	REAL300030460259	0	52	0.0	-62.56	385.55	1.62	-60.94
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1(O)CCC[N@@H+](C)C1	REAL300030460259	1	52	0.0	-61.03	389.41	1.62	-59.41
CC1C[NH+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030460265	1	45	0.0	-62.27	358.93	2.62	-59.65
CC[N@@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030460272	0	51	0.0	-58.86	381.42	3.74	-55.12
CC[N@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030460272	1	51	0.0	-58.21	380.90	3.60	-54.61
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1=CC=C[NH+]=C1N	REAL300030460288	0	44	0.0	-60.53	362.11	1.27	-59.26
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CCC[N@@H+]1C1CC1	REAL300030460300	0	49	0.0	-61.27	380.15	3.40	-57.87
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CCC[N@H+]1C1CC1	REAL300030460300	1	49	0.0	-55.45	381.67	3.65	-51.80
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CCC1[N@@H+]1CCOC(C)C1	REAL300030460330	0	56	0.0	-53.80	417.09	3.56	-50.24
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CCC1[N@H+]1CCOC(C)C1	REAL300030460330	1	56	0.0	-62.69	425.34	3.28	-59.41
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C(C[NH+]2CCCC2)O1	REAL300030460351	0	52	0.0	-63.44	414.69	4.36	-59.08
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C=CC[NH+]1CCCC1	REAL300030460358	0	49	0.0	-64.99	389.44	3.83	-61.16
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300030460389	0	52	0.0	-62.46	397.01	4.19	-58.27
CC[N@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030460440	0	44	0.0	-61.04	345.70	2.11	-58.93
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CN1CC2C=CC1C2	REAL300030460514	0	47	0.0	-58.31	368.93	3.32	-54.99
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@@H+]1CC2C=CC1C2	REAL300030460514	1	47	0.0	-59.31	368.10	3.33	-55.98
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@H+]1CC2C=CC1C2	REAL300030460514	1	47	0.0	-59.31	368.10	3.33	-55.98
CC1=CC=C(NCCC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)N=C1	REAL300030460538	0	50	0.0	-58.86	406.75	2.88	-55.98
CC1=CC=C(NCCC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)[NH+]=C1	REAL300030460538	1	50	0.0	-58.86	406.75	2.88	-55.98
CC(OCC[NH+](C)C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030460695	0	51	0.0	-66.22	401.71	3.03	-63.19
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCOCC[NH+](C)C	REAL300030460708	0	51	0.0	-63.00	404.70	2.28	-60.72
COCCN(C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030460710	0	48	0.0	-61.20	378.09	1.26	-59.94
COCC[N@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030460710	1	48	0.0	-61.43	378.22	1.28	-60.15
COCC[N@@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030460710	1	48	0.0	-61.43	378.22	1.28	-60.15
CC(CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300030460719	0	50	0.0	-63.52	381.52	3.20	-60.32
CC[N@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C)C1CC1	REAL300030460761	0	48	0.0	-58.33	373.93	3.46	-54.87
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1C[N@@H+]2CCN1C(C)C2	REAL300030460772	0	51	0.0	-67.43	378.84	0.18	-67.25
CC1=NC(N)=CC=C1C=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030460822	0	48	0.0	-62.21	392.99	2.10	-60.11
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030460822	1	48	0.0	-62.21	392.99	2.10	-60.11
CC1=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C=NN1CC[NH+](C)C	REAL300030460828	0	54	0.0	-74.74	423.48	3.06	-71.68
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@@H+]1CC2CCC1C2	REAL300030460831	0	49	0.0	-58.96	373.34	3.33	-55.63
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@H+]1CC2CCC1C2	REAL300030460831	1	49	0.0	-58.96	373.34	3.33	-55.63
CC(C)[NH+]1CCC(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300030460850	0	57	0.0	-62.89	423.28	4.79	-58.10
CC(C[NH+](C)C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030460865	0	47	0.0	-63.21	366.02	2.56	-60.65
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300030460878	0	48	0.0	-72.91	378.71	4.01	-68.90
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300030460878	1	48	0.0	-71.09	371.91	3.03	-68.06
C[C@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300030460909	0	44	0.0	-61.06	345.80	1.75	-59.31
CC[N@@H+]1CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030460922	1	45	0.0	-59.20	351.58	2.12	-57.08
CC[N@H+]1CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030460922	1	45	0.0	-59.52	351.88	2.03	-57.49
CC(C)[N@@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030460940	0	54	0.0	-60.02	405.80	4.10	-55.92
CC(C)[N@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030460940	1	54	0.0	-60.14	406.59	4.13	-56.01
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CCN(C2=[NH+]C=CN2C)C1	REAL300030460942	1	52	0.0	-59.32	413.63	3.61	-55.71
CCC(C)(C)[NH2+]C(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030460964	0	53	0.0	-59.72	390.83	1.91	-57.81
C#CC[N@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030461021	1	50	0.0	-58.06	382.88	3.69	-54.37
C#CC[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030461021	1	50	0.0	-59.79	386.80	3.92	-55.87
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030461024	1	47	0.0	-55.81	377.17	1.99	-53.82
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=C[NH+]=CC=C1N	REAL300030461026	0	41	0.0	-60.06	335.96	-0.65	-60.71
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C(CC1=CC=CC=C1)[NH+](C)C	REAL300030461032	0	54	0.0	-66.57	414.54	5.25	-61.32
CCCC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300030461041	0	50	0.0	-62.29	379.49	3.15	-59.14
CC(CC[NH+](C)C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030461076	0	50	0.0	-64.86	388.62	3.19	-61.67
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300030461138	0	55	0.0	-62.88	398.48	4.01	-58.87
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300030461138	1	55	0.0	-58.37	399.21	4.62	-53.75
COCCCC[N@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030461221	0	57	0.0	-67.39	444.68	3.28	-64.11
COCCCC[N@@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030461221	1	57	0.0	-67.45	444.68	3.28	-64.17
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C12CCC([NH+](C)C)(CC1)CC2	REAL300030461227	0	58	0.0	-66.45	409.41	4.12	-62.33
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300030461234	0	51	0.0	-59.87	394.28	3.40	-56.47
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC(C)(C)C[N@H+]1C	REAL300030461234	1	51	0.0	-59.38	386.16	3.09	-56.29
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCCCC[NH+](C)C	REAL300030461240	0	53	0.0	-65.81	414.74	4.40	-61.41
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC[NH+]1CCC(O)CC1	REAL300030461246	0	52	0.0	-66.28	402.53	0.52	-65.76
CCC[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030461251	0	54	0.0	-59.46	401.67	4.11	-55.35
CCC[N@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030461251	1	54	0.0	-57.13	407.82	4.35	-52.78
CC[NH+]1CCN(CCC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300030461260	0	56	0.0	-64.16	426.58	2.12	-62.04
CCN1CC[NH+](CCC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300030461260	1	56	0.0	-63.77	427.57	2.11	-61.66
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CN1CC[NH+](C)CC1	REAL300030461264	1	50	0.0	-65.22	387.14	0.92	-64.30
CC(C)C[NH+]1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300030461405	0	57	0.0	-63.64	428.53	5.07	-58.57
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1C[N@H+](C)CC(C)O1	REAL300030461409	1	49	0.0	-61.95	376.44	2.26	-59.69
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1C[N@@H+](C)CC(C)O1	REAL300030461409	1	49	0.0	-68.48	381.58	2.35	-66.13
CCC1CCC[N@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030461451	0	54	0.0	-61.62	402.36	4.12	-57.50
CCC1CCC[N@@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030461451	1	54	0.0	-59.63	410.40	4.57	-55.06
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C(C[NH+](C)C)N1	REAL300030461462	0	49	0.0	-64.95	388.89	2.98	-61.97
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[NH+]1CC2CC2C1	REAL300030461485	0	46	0.0	-60.40	362.42	3.28	-57.12
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1([NH+]2CCCC2)CC1	REAL300030461507	0	52	0.0	-59.49	391.75	4.11	-55.38
CC([NH2+]C1(CO)CCCC1)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030461527	0	55	0.0	-60.55	408.31	-0.66	-61.21
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CCCC[N@@H+]1C	REAL300030461562	0	48	0.0	-59.45	357.67	2.52	-56.93
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CCCC[N@H+]1C	REAL300030461562	1	48	0.0	-58.63	369.62	3.01	-55.62
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300030461569	1	52	0.0	-59.56	412.09	5.06	-54.50
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC[N@H+]1CC1=CC=CC=C1	REAL300030461569	1	52	0.0	-63.56	419.65	5.38	-58.18
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030461576	0	57	0.0	-58.60	419.79	5.05	-53.55
CC(C)C[N@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030461576	1	57	0.0	-66.54	416.47	4.96	-61.58
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CN1CCC([NH+](C)C)CC1	REAL300030461642	0	56	0.0	-66.52	422.58	2.14	-64.38
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C=C1CC[N@H+](C)C1	REAL300030461718	0	46	0.0	-67.97	365.93	3.02	-64.95
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C=C1CC[N@@H+](C)C1	REAL300030461718	1	46	0.0	-65.96	367.42	2.99	-62.97
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CNC1=CC=[NH+]C=C1	REAL300030461726	0	44	0.0	-62.33	365.12	0.73	-61.60
CC[NH+]1CCN(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300030461794	0	53	0.0	-63.89	406.00	1.61	-62.28
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C=C1C[NH+]2CCC1CC2	REAL300030461797	0	50	0.0	-62.42	384.92	3.86	-58.56
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300030461860	0	52	0.0	-61.08	399.90	0.67	-60.41
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O	REAL300030461860	1	52	0.0	-59.74	398.86	0.66	-59.08
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1C[NH+](C2CCOCC2)C1	REAL300030461869	0	53	0.0	-65.83	411.77	2.41	-63.42
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)[C@@H]1CCC[N@@H+]1C	REAL300030461886	0	45	0.0	-60.22	346.38	1.92	-58.30
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)[C@@H]1CCC[N@H+]1C	REAL300030461886	1	45	0.0	-59.26	352.35	2.29	-56.97
CCN1CCOCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030461926	0	52	0.0	-63.46	392.98	1.79	-61.67
CC[N@@H+]1CCOCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030461926	1	52	0.0	-64.27	397.29	1.96	-62.31
CC[N@H+]1CCOCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030461926	1	52	0.0	-64.27	397.29	1.96	-62.31
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC(=O)NC2=C1CCC[NH2+]2	REAL300030461933	0	49	0.0	-79.53	395.24	0.86	-78.67
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1C[NH+](C2CCCCC2)C1	REAL300030461956	0	55	0.0	-65.04	421.00	4.81	-60.23
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C2NC(N)=NC2=C1	REAL300030462038	0	45	0.0	-66.19	370.30	2.31	-63.88
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C2NC(N)=[NH+]C2=C1	REAL300030462038	1	45	0.0	-66.19	370.30	2.31	-63.88
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300030462091	0	48	0.0	-65.11	378.23	3.16	-61.95
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC[NH+]1C(C)CCCC1C	REAL300030462106	0	57	0.0	-58.78	421.47	4.60	-54.18
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CCC([NH+](C)C)CC1	REAL300030462109	0	54	0.0	-65.72	406.67	4.15	-61.57
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300030462113	0	54	0.0	-67.06	398.11	3.87	-63.19
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1CC=CC[N@@H+]1C	REAL300030462114	0	49	0.0	-62.09	381.02	3.54	-58.55
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1CC=CC[N@H+]1C	REAL300030462114	1	49	0.0	-64.15	380.20	3.52	-60.63
CC1=CC(C=CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)=C[NH+]=C1N	REAL300030462185	1	48	0.0	-62.05	393.18	2.40	-59.65
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)COCC[NH+](C)C	REAL300030462201	0	48	0.0	-63.78	383.74	2.48	-61.30
CCCCC[N@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030462209	0	56	0.0	-64.83	432.51	4.99	-59.84
CCCCC[N@@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030462209	1	56	0.0	-64.84	432.51	4.99	-59.85
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300030462223	0	52	0.0	-65.13	406.13	3.30	-61.83
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CN1C=CSC1=[NH2+]	REAL300030462250	0	41	0.0	-58.09	354.95	1.64	-56.45
C[C@@H](OCC[NH+](C)C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030462349	0	51	0.0	-63.04	398.70	2.91	-60.13
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1(C2(O)CC[NH+](C)CC2)CC1	REAL300030462353	0	56	0.0	-75.63	417.24	1.80	-73.83
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC[NH+]1CCCCCC1	REAL300030462429	0	54	0.0	-63.79	402.98	4.08	-59.71
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[NH+]1CCCCC1	REAL300030462435	0	48	0.0	-60.29	369.69	3.30	-56.99
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CCC[N@H+](C)C1	REAL300030462437	0	48	0.0	-63.82	372.78	2.90	-60.92
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CCC[N@@H+](C)C1	REAL300030462437	1	48	0.0	-59.48	363.55	3.10	-56.38
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[NH+]1CCC(CO)CC1	REAL300030462439	0	52	0.0	-62.57	402.37	0.58	-61.99
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[NH+]1CCCCCC1	REAL300030462445	0	51	0.0	-60.68	379.92	3.46	-57.22
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N+]1=CN(C)C=C1	REAL300030462452	0	43	0.0	-60.21	359.21	4.97	-55.24
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300030462473	1	48	0.0	-63.87	389.40	3.24	-60.63
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C(C[NH+](C)C)N=C1	REAL300030462482	0	50	0.0	-65.60	395.87	2.58	-63.02
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[NH+]1CCC(O)CC1	REAL300030462498	0	49	0.0	-64.49	381.78	-0.07	-64.56
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@H+](C)C1CC1	REAL300030462506	0	45	0.0	-59.41	357.32	2.85	-56.56
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@@H+](C)C1CC1	REAL300030462506	1	45	0.0	-58.21	358.67	2.86	-55.35
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C)N1CC[NH+](C)CC1	REAL300030462508	1	53	0.0	-65.40	395.48	0.95	-64.45
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC[N@@H+]1CCC(F)C1	REAL300030462516	0	48	0.0	-65.76	383.88	3.29	-62.47
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC[N@H+]1CCC(F)C1	REAL300030462516	1	48	0.0	-66.17	383.48	3.28	-62.89
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300030462550	0	54	0.0	-74.59	426.80	5.38	-69.21
CC(CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C)C[NH+](C)C	REAL300030462556	0	50	0.0	-64.99	385.02	3.44	-61.55
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC[N@@H+]2CCOCC12	REAL300030462581	0	50	0.0	-60.64	381.49	1.68	-58.96
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC[N@H+]2CCOCC12	REAL300030462581	1	50	0.0	-64.92	385.93	1.59	-63.33
CC1=[NH+]C=C2C=CC(C(=O)N3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C)=CN21	REAL300030462590	0	46	0.0	-65.61	386.20	4.63	-60.98
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1COCC[N@@H+]1C	REAL300030462615	1	49	0.0	-59.46	372.09	1.13	-58.33
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1COCC[N@H+]1C	REAL300030462615	1	49	0.0	-61.17	371.99	1.17	-60.00
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C(C[NH+](C)C)C1=CC=CC=C1	REAL300030462624	0	54	0.0	-62.42	424.79	5.39	-57.03
CC[NH+]1CCN(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300030462629	0	53	0.0	-63.89	406.00	1.61	-62.28
CC1=CC(N)=[NH+]C=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030462695	1	44	0.0	-59.12	357.02	0.67	-58.45
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCC1=CC=C(N)[NH+]=C1	REAL300030462698	0	47	0.0	-61.46	386.93	1.97	-59.49
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300030462759	0	49	0.0	-61.48	385.10	-0.10	-61.58
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@H+]1CCC(C)(O)C1	REAL300030462759	1	49	0.0	-60.77	385.28	-0.13	-60.90
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=NN1CC[NH+](C)C	REAL300030462769	0	51	0.0	-65.01	403.27	2.61	-62.40
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1C[NH+](C)C1	REAL300030462805	0	45	0.0	-63.91	360.44	2.28	-61.63
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC[N@@H+]1C1CCCC1	REAL300030462811	0	52	0.0	-58.57	393.88	3.88	-54.69
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC[N@H+]1C1CCCC1	REAL300030462811	1	52	0.0	-59.55	393.71	3.86	-55.69
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC[N@H+](C)CCO	REAL300030462866	0	48	0.0	-63.46	378.36	-0.54	-64.00
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC[N@@H+](C)CCO	REAL300030462866	1	48	0.0	-63.22	378.35	-0.55	-63.77
C[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300030462867	0	44	0.0	-60.67	343.02	1.74	-58.93
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1CCCC[N@@H+]1C	REAL300030462889	0	51	0.0	-56.89	380.66	3.50	-53.39
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1CCCC[N@H+]1C	REAL300030462889	1	51	0.0	-57.58	381.02	3.53	-54.05
CC1=C2C=C(C(=O)N3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C)C=CN2C=[NH+]1	REAL300030462917	1	46	0.0	-66.43	386.78	5.43	-61.00
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1CC(C)C1	REAL300030462918	0	48	0.0	-59.38	375.70	2.94	-56.44
CC1CC[N@@H+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030462923	1	45	0.0	-59.43	355.04	2.25	-57.18
CC1CC[N@H+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030462923	1	45	0.0	-60.20	360.59	2.51	-57.69
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C=CC[NH+](C)C	REAL300030462939	0	45	0.0	-66.44	364.36	2.66	-63.78
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[NH+]1CC(C)(C)C1	REAL300030462956	1	48	0.0	-61.15	378.58	3.10	-58.05
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCCC[NH+]1CCCCC1	REAL300030462971	0	57	0.0	-64.74	435.50	5.44	-59.30
CC1=C(C)[NH+]=C(CCC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)N1	REAL300030462986	1	49	0.0	-57.51	399.61	2.78	-54.73
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC2=C(C[N@H+](C)CC2)S1	REAL300030462987	1	49	0.0	-68.35	398.12	4.04	-64.31
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC2=C(C[N@@H+](C)CC2)S1	REAL300030462987	1	49	0.0	-69.61	398.87	4.11	-65.50
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1(C2CC[NH+](C)CC2)CC1	REAL300030462998	0	55	0.0	-65.38	413.58	4.54	-60.84
CC1=C2C=C(C(=O)N3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C)C=CN2C=[NH+]1	REAL300030463008	1	46	0.0	-66.43	386.78	5.43	-61.00
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CSCC[NH+](C)C	REAL300030463022	0	48	0.0	-67.58	394.77	3.42	-64.16
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[N@H+](C)CC1=CC=CC=C1	REAL300030463042	0	54	0.0	-60.04	420.62	5.36	-54.68
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[N@@H+](C)CC1=CC=CC=C1	REAL300030463042	1	54	0.0	-61.50	420.47	5.31	-56.19
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC2=C(CCCC2)[NH+]=C1N	REAL300030463046	1	51	0.0	-54.36	398.23	2.78	-51.58
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@@H+]1CCCC1CO	REAL300030463054	0	49	0.0	-60.81	378.50	-0.48	-61.29
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@H+]1CCCC1CO	REAL300030463054	1	49	0.0	-59.59	382.34	-0.01	-59.60
CC[NH+](CC)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030463057	0	47	0.0	-59.86	365.41	2.78	-57.08
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@H+](C)C1CCSC1	REAL300030463074	0	49	0.0	-66.10	388.74	3.70	-62.40
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@@H+](C)C1CCSC1	REAL300030463074	1	49	0.0	-66.20	387.37	3.69	-62.51
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[NH+]1CCC1	REAL300030463076	1	42	0.0	-61.18	338.23	1.92	-59.26
CC[NH+](CC)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030463126	0	50	0.0	-61.82	385.82	3.40	-58.42
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[NH+]1CCC(C(N)=O)CC1	REAL300030463148	0	52	0.0	-72.33	406.61	-0.05	-72.38
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC(C[NH+](C)C)=CN1	REAL300030463200	0	49	0.0	-65.97	388.69	2.87	-63.10
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1CCC(O)CC1	REAL300030463221	0	52	0.0	-60.48	390.79	0.02	-60.46
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC2COCC[N@@H+]2C1	REAL300030463228	0	50	0.0	-62.82	385.59	1.69	-61.13
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC2COCC[N@H+]2C1	REAL300030463228	1	50	0.0	-62.77	385.66	1.70	-61.07
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1CCC1	REAL300030463246	0	45	0.0	-59.89	354.75	2.27	-57.62
CCC(CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C)C[NH+](C)C	REAL300030463259	0	53	0.0	-65.41	403.57	4.08	-61.33
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C=CC1=CC=C(N)[NH+]=C1	REAL300030463266	0	45	0.0	-63.32	375.38	1.64	-61.68
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC(C1=CC=CC=C1)[NH+](C)C	REAL300030463305	0	54	0.0	-65.53	418.51	5.43	-60.10
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)[C@H]1CCCC[N@@H+]1C	REAL300030463341	0	48	0.0	-59.27	369.28	2.94	-56.33
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)[C@H]1CCCC[N@H+]1C	REAL300030463341	1	48	0.0	-62.03	362.15	2.70	-59.33
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1C[N@@H+]2CCN1CC2C	REAL300030463356	0	51	0.0	-63.38	376.53	0.03	-63.35
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1C[N@H+]2CCN1CC2C	REAL300030463356	1	51	0.0	-62.96	376.32	0.08	-62.88
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC(O)C[NH+](C)C	REAL300030463386	0	48	0.0	-66.90	380.48	0.44	-66.46
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC2CCC(C1)[NH+]2C	REAL300030463389	0	52	0.0	-62.14	387.85	3.56	-58.58
C#CC1(O)CC[NH+](C(C)C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300030463429	0	54	0.0	-61.02	413.65	0.99	-60.03
C=CCC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300030463441	0	48	0.0	-61.95	371.30	2.91	-59.04
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC2CCCC[N@@H+]2C1	REAL300030463454	0	52	0.0	-60.73	394.57	4.01	-56.72
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC2CCCC[N@H+]2C1	REAL300030463454	1	52	0.0	-59.99	392.17	4.05	-55.94
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1(O)CC[NH+](C)CC1	REAL300030463473	0	52	0.0	-62.93	395.41	1.76	-61.17
COCC[N@@H+]1CCCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030463491	0	55	0.0	-55.78	419.44	3.37	-52.41
COCC[N@H+]1CCCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030463491	1	55	0.0	-61.55	427.65	2.91	-58.64
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1CC2CCC(C1)[NH+]2C	REAL300030463501	0	55	0.0	-64.64	394.69	3.90	-60.74
CC1CC(NC(=O)C2=CC=NN2CC[NH+](C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030463543	0	51	0.0	-62.29	405.51	2.81	-59.48
CC1CC(NC(=O)C2=CC3=C(C[N@H+](C)CC3)S2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030463585	1	49	0.0	-78.36	400.63	4.40	-73.96
CC1CC(NC(=O)C2=CC3=C(C[N@@H+](C)CC3)S2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030463585	1	49	0.0	-84.40	400.42	4.41	-79.99
CC1CC(NC(=O)C2(C3CC[NH+](C)CC3)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030463597	0	55	0.0	-75.09	412.53	4.79	-70.30
CC1=C2C=C(C(=O)NC3CC(C)N(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030463610	1	46	0.0	-78.41	378.30	5.42	-72.99
CC1CC(NC(=O)CSCC[NH+](C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030463625	0	48	0.0	-80.10	392.84	3.29	-76.81
CC1CC(NC(=O)C2CC3COCC[N@@H+]3C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030463637	0	50	0.0	-69.34	385.13	1.71	-67.63
CC1CC(NC(=O)C2CC3COCC[N@H+]3C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030463637	1	50	0.0	-72.97	384.31	1.70	-71.27
C[N@@H+]1CCCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030463801	0	47	0.0	-64.89	365.53	1.92	-62.97
C[N@H+]1CCCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030463801	1	47	0.0	-39.06	360.39	1.53	-37.53
C[N@@H+]1CCOC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030463825	1	48	0.0	-78.30	370.35	1.34	-76.96
C[N@H+]1CCOC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030463825	1	48	0.0	-67.85	369.87	1.33	-66.52
CC(C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+]1CCCCCC1	REAL300030463986	0	56	0.0	-47.31	407.58	3.69	-43.62
CC(C)[N@@H+]1CCCCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030463988	0	56	0.0	-63.39	415.56	3.62	-59.77
CC(C)[N@H+]1CCCCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030463988	1	56	0.0	-62.48	414.63	3.65	-58.83
CC(C)[N@@H+]1CCCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030464009	0	53	0.0	-68.85	386.85	3.20	-65.65
CC(C)[N@H+]1CCCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030464009	1	53	0.0	-67.12	393.13	3.51	-63.61
O=C(C1CC2CCCC[N@@H+]2C1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030464025	0	54	0.0	-59.97	408.36	3.86	-56.11
O=C(C1CC2CCCC[N@H+]2C1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030464025	1	54	0.0	-67.32	405.66	3.51	-63.81
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030464046	1	51	0.0	-47.85	407.35	3.77	-44.08
CC1=[NH+]C=CN1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030464076	1	45	0.0	-50.53	370.99	2.65	-47.88
CC(C[NH+]1CCOCC1)C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030464077	0	54	0.0	-69.92	414.44	1.65	-68.27
O=C(CCC[NH+]1CCCCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030464093	0	56	0.0	-53.85	427.10	4.29	-49.56
CC(C)(C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+]1CCCCC1	REAL300030464111	0	56	0.0	-50.57	403.06	3.92	-46.65
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CN(C(=O)C3C[NH+]4CCC3CC4)C2)C1	REAL300030464119	0	51	0.0	-77.73	378.76	2.66	-75.07
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CN(C(=O)C3CCCC4CCC[N@@H+]43)C2)C1	REAL300030464160	0	54	0.0	-63.73	393.00	3.19	-60.54
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CN(C(=O)C3CCCC4CCC[N@H+]43)C2)C1	REAL300030464160	1	54	0.0	-65.00	395.00	3.21	-61.79
C[C@@H]1[C@H](C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC[N@@H+]1C	REAL300030464174	0	50	0.0	-73.00	377.94	2.34	-70.66
C[C@@H]1[C@H](C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC[N@H+]1C	REAL300030464174	1	50	0.0	-71.86	383.84	2.23	-69.63
CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC[N@@H+]1C	REAL300030464178	0	53	0.0	-68.03	394.35	2.60	-65.43
CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC[N@H+]1C	REAL300030464178	1	53	0.0	-70.49	403.02	2.95	-67.54
CC[N@@H+]1CCOC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030464188	1	51	0.0	-64.06	393.11	1.88	-62.18
CC[N@H+]1CCOC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030464188	1	51	0.0	-83.75	395.15	2.16	-81.59
CC[NH+](CC)CC(F)C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030464229	0	52	0.0	-40.73	403.91	2.98	-37.75
CC1CCC(C)[NH+]1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030464292	0	53	0.0	-46.02	398.75	3.06	-42.96
O=C(CCC[NH+]1CCCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030464298	0	53	0.0	-68.90	410.47	3.59	-65.31
C#CC[NH+]1CCC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC1	REAL300030464303	0	52	0.0	-58.79	408.20	3.65	-55.14
O=C(CC[NH+]1CCCCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030464304	0	53	0.0	-50.21	405.60	3.49	-46.72
CC[N@@H+]1CCCCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030464310	0	53	0.0	-57.34	401.07	3.36	-53.98
CC[N@H+]1CCCCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030464310	1	53	0.0	-52.88	401.48	3.36	-49.52
CC(C)C[N@@H+]1CCC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030464324	0	56	0.0	-61.57	424.41	3.98	-57.59
CC(C)C[N@H+]1CCC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030464324	1	56	0.0	-68.51	426.47	3.99	-64.52
C[NH+](C)C1(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CCC1	REAL300030464328	0	50	0.0	-62.73	368.13	2.23	-60.50
CC(C)[N@@H+]1CCCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030464330	0	56	0.0	-62.11	413.30	3.19	-58.92
CC(C)[N@H+]1CCCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030464330	1	56	0.0	-62.72	411.26	3.13	-59.59
CC(C)[C@@H](C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300030464343	0	52	0.0	-40.86	382.27	3.18	-37.68
C[N@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1CCC1	REAL300030464384	0	50	0.0	-65.95	386.87	2.86	-63.09
C[N@@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1CCC1	REAL300030464384	1	50	0.0	-46.07	387.83	3.03	-43.04
CC(C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+]1C(C)CCC1C	REAL300030464443	0	56	0.0	-44.09	394.98	3.40	-40.69
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030464502	1	49	0.0	-64.08	386.88	2.67	-61.41
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030464502	1	49	0.0	-66.06	392.25	3.26	-62.80
C[N@@H+]1CCCC1CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030464508	0	53	0.0	-74.77	409.60	3.65	-71.12
C[N@H+]1CCCC1CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030464508	1	53	0.0	-70.38	402.10	2.87	-67.51
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1	REAL300030464517	0	54	0.0	-55.68	388.57	3.03	-52.65
O=C(C1CCC2CCCC[N@@H+]21)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030464520	0	54	0.0	-63.03	407.99	3.76	-59.27
O=C(C1CCC2CCCC[N@H+]21)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030464520	1	54	0.0	-61.75	407.69	3.95	-57.80
O=C(CCCC[NH+]1CCCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030464536	0	56	0.0	-56.46	432.93	4.37	-52.09
C[NH+]1CCC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC1	REAL300030464547	0	50	0.0	-76.60	380.76	2.32	-74.28
C[NH+](C)CC1=CC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)=NO1	REAL300030464582	1	49	0.0	-67.72	397.64	2.05	-65.67
CC1=C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C=CC2=C[NH+]=CN21	REAL300030464583	0	48	0.0	-63.99	393.04	4.96	-59.03
C[N@@H+]1CCCCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030464614	0	50	0.0	-65.85	382.22	2.52	-63.33
C[N@H+]1CCCCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030464614	1	50	0.0	-57.11	383.91	2.72	-54.39
CC(C)C[N@@H+]1CCCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030464636	0	56	0.0	-61.87	415.11	3.90	-57.97
CC(C)C[N@H+]1CCCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030464636	1	56	0.0	-67.37	414.24	4.44	-62.93
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CN(C(=O)C3=CN4C=[NH+]C=C4C=C3)C2)C1	REAL300030464736	0	45	0.0	-55.66	366.87	4.10	-51.56
CC1=[NH+]C=CN1CCCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030464744	1	51	0.0	-54.62	412.57	3.96	-50.66
O=C(CC[NH+]1CCOCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030464749	1	51	0.0	-52.11	396.87	1.07	-51.04
CC1=C[NH+]=CN1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030464779	1	45	0.0	-46.27	371.35	3.39	-42.88
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1	REAL300030464818	0	51	0.0	-45.93	373.86	2.96	-42.97
C[NH+](C)C1CCCC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030464842	0	56	0.0	-71.36	418.01	3.58	-67.78
C[N@@H+]1CCC(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030464845	0	50	0.0	-69.41	388.99	2.76	-66.65
C[N@H+]1CCC(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030464845	1	50	0.0	-72.76	387.16	2.47	-70.29
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030464857	0	49	0.0	-55.84	389.54	1.23	-54.61
CCC(C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300030464862	0	49	0.0	-44.87	370.82	1.97	-42.90
C[NH+](C)C1(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CCCC1	REAL300030464874	0	56	0.0	-52.46	405.45	3.48	-48.98
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CN(C(=O)C3=CC4=C[NH+]=CN4C=C3)C2)C1	REAL300030464915	1	45	0.0	-59.04	367.15	4.12	-54.92
C[NH+](C)CCCCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030464969	0	52	0.0	-58.35	406.96	3.19	-55.16
CC(C)C(C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300030464989	0	52	0.0	-60.85	380.75	2.71	-58.14
CCC[N@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030464991	0	52	0.0	-51.06	403.20	3.02	-48.04
CCC[N@@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030464991	1	52	0.0	-51.89	403.20	3.02	-48.87
CCC[N@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030464996	0	49	0.0	-48.66	380.83	2.45	-46.21
CCC[N@@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030464996	1	49	0.0	-48.14	380.83	2.45	-45.69
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CN(C(=O)C34CC[N@H+](C3)CCC4)C2)C1	REAL300030465019	0	51	0.0	-71.05	378.28	2.01	-69.04
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CN(C(=O)C34CC[N@@H+](C3)CCC4)C2)C1	REAL300030465019	1	51	0.0	-66.18	377.01	1.96	-64.22
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030465055	0	47	0.0	-55.26	360.75	1.54	-53.72
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030465055	1	47	0.0	-60.34	367.90	2.11	-58.23
CCCCCC[N@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030465112	0	58	0.0	-49.46	445.33	4.80	-44.66
CCCCCC[N@@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030465112	1	58	0.0	-68.97	444.44	4.63	-64.34
CC[NH+](CC)C(C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C(C)C	REAL300030465116	0	58	0.0	-56.77	416.42	3.63	-53.14
CC[NH+](CC)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030465125	0	49	0.0	-46.45	373.09	2.12	-44.33
CCC[N@@H+]1CCCC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030465157	0	56	0.0	-57.66	415.63	3.93	-53.73
CCC[N@H+]1CCCC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030465157	1	56	0.0	-60.41	417.36	4.16	-56.25
CC(C)[N@@H+]1CCOC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030465172	0	54	0.0	-77.88	408.32	2.36	-75.52
CC(C)[N@H+]1CCOC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030465172	1	54	0.0	-80.92	411.94	2.67	-78.25
CC1CC[NH+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC1	REAL300030465201	0	53	0.0	-48.55	404.19	3.54	-45.01
C[NH+]1CCC(OCC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC1	REAL300030465227	0	54	0.0	-77.90	422.16	3.30	-74.60
C[NH+](C)CC1(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC1	REAL300030465238	0	50	0.0	-71.73	383.87	2.47	-69.26
CC(C)[NH+]1CCC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC1	REAL300030465311	0	56	0.0	-58.07	414.21	3.44	-54.63
C[NH+]1CCC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC1	REAL300030465329	0	50	0.0	-76.60	380.76	2.32	-74.28
CC(C)[C@H](C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300030465347	0	52	0.0	-56.62	379.17	3.38	-53.24
CCC(C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](CC)CC	REAL300030465378	0	55	0.0	-44.49	401.61	3.46	-41.03
CC[N@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030465434	0	49	0.0	-50.69	381.70	2.28	-48.41
CC[N@@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030465434	1	49	0.0	-51.43	381.70	2.27	-49.16
CC1CCC[N@@H+]1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030465490	0	50	0.0	-60.81	380.87	2.51	-58.30
CC1CCC[N@H+]1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030465490	1	50	0.0	-47.86	380.27	2.41	-45.45
CC1CC[N@H+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030465492	0	50	0.0	-60.22	386.88	2.73	-57.49
CC1CC[N@@H+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030465492	1	50	0.0	-63.13	387.58	2.91	-60.22
CC1(C)CC[N@H+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030465496	0	53	0.0	-63.45	406.90	3.28	-60.17
CC1(C)CC[N@@H+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030465496	1	53	0.0	-59.80	405.63	3.25	-56.55
C[N@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)CC(C)(C)C	REAL300030465497	0	55	0.0	-49.40	409.43	3.51	-45.89
C[N@@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)CC(C)(C)C	REAL300030465497	1	55	0.0	-46.25	411.91	3.60	-42.65
CC[C@@H](C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300030465505	0	49	0.0	-46.55	367.80	1.91	-44.64
C[NH+]1CCC(O)(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC1	REAL300030465662	0	54	0.0	-60.82	412.13	1.40	-59.42
C[NH+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030465674	0	43	0.0	-49.40	341.60	1.05	-48.35
O=C(C[NH+]1CCC(CO)CC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030465678	0	54	0.0	-50.36	415.01	0.22	-50.14
O=C(C[NH+]1CCCCCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030465679	0	53	0.0	-52.05	392.56	3.09	-48.96
CN1C=C[N+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)=C1	REAL300030465683	0	45	0.0	-45.94	372.83	4.56	-41.38
C[N@@H+]1CCCC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030465690	0	50	0.0	-66.16	377.29	2.44	-63.72
C[N@H+]1CCCC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030465690	1	50	0.0	-75.67	377.67	2.45	-73.22
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CN(C(=O)C3CCC[N@@H+]3C3CC3)C2)C1	REAL300030465695	0	51	0.0	-65.67	392.66	2.93	-62.74
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CN(C(=O)C3CCC[N@H+]3C3CC3)C2)C1	REAL300030465695	1	51	0.0	-63.54	390.85	3.19	-60.35
CC(C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+]1CCC1	REAL300030465722	1	47	0.0	-46.65	367.15	1.89	-44.76
CCC(CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C[NH+](C)C	REAL300030465727	0	55	0.0	-59.08	410.80	3.73	-55.35
C[NH+](C)CC(C)(C)C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030465734	0	52	0.0	-50.16	380.09	2.40	-47.76
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)C2)C1	REAL300030465751	0	52	0.0	-72.11	397.07	3.52	-68.59
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CN(C(=O)C34CC(C3)C[N@H+]4C3CC3)C2)C1	REAL300030465751	1	52	0.0	-53.42	391.04	4.20	-49.22
O=C(C[NH+]1CCC(O)CC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030465759	1	51	0.0	-49.61	394.40	-0.43	-50.04
C[N@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1CC1	REAL300030465760	0	47	0.0	-48.00	370.88	2.45	-45.55
C[N@@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1CC1	REAL300030465760	1	47	0.0	-46.07	371.02	2.45	-43.62
CC(C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)N1CC[NH+](C)CC1	REAL300030465761	1	55	0.0	-65.60	411.28	0.50	-65.10
C[NH+]1CC(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030465779	0	47	0.0	-49.80	372.89	1.88	-47.92
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CN(C(=O)C3CC[N@@H+]3C3CCCC3)C2)C1	REAL300030465783	0	54	0.0	-69.59	414.39	4.09	-65.50
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CN(C(=O)C3CC[N@H+]3C3CCCC3)C2)C1	REAL300030465783	1	54	0.0	-65.72	412.87	3.95	-61.77
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030465791	0	53	0.0	-62.39	403.53	2.73	-59.66
CC(C)(C)[N@H+]1CCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030465791	1	53	0.0	-61.65	403.68	2.88	-58.77
C[C@@H](C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300030465802	0	46	0.0	-66.36	358.40	1.37	-64.99
CCC1CCC[N@H+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030465841	0	56	0.0	-67.92	414.68	3.95	-63.97
CCC1CCC[N@@H+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030465841	1	56	0.0	-63.64	423.20	4.26	-59.38
C[NH+](C)CC1=CC=C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)N1	REAL300030465848	0	51	0.0	-81.84	403.33	2.00	-79.84
[NH2+]=C1SC=CN1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030465889	0	43	0.0	-58.00	367.50	1.11	-56.89
C[N@H+](CCO)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030465899	0	50	0.0	-54.22	392.05	-0.95	-55.17
C[N@@H+](CCO)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030465899	1	50	0.0	-49.46	392.03	-0.96	-50.42
C[C@@H](C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300030465900	0	46	0.0	-66.36	358.40	1.37	-64.99
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030465904	0	50	0.0	-60.55	369.53	2.24	-58.31
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030465904	1	50	0.0	-65.26	382.45	2.52	-62.74
CC1CN2CC[N@@H+]1CC2C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030465912	0	53	0.0	-64.42	388.36	-0.11	-64.53
CC1CN2CC[N@H+]1CC2C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030465912	1	53	0.0	-81.50	393.03	-0.13	-81.63
O=C(CC1=CC2=C[NH+]=CN2C=C1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030465954	0	48	0.0	-59.91	396.00	5.24	-54.67
C[N@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1CCSC1	REAL300030465977	0	51	0.0	-58.84	401.09	3.28	-55.56
C[N@@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1CCSC1	REAL300030465977	1	51	0.0	-68.60	401.53	3.41	-65.19
O=C(C[NH+]1CCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030465978	1	44	0.0	-49.67	351.69	1.47	-48.20
C[N@@H+]1CCC(=CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030466008	0	48	0.0	-58.50	379.23	2.59	-55.91
C[N@H+]1CCC(=CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030466008	1	48	0.0	-68.81	379.35	2.56	-66.25
C[NH+](C)CCOCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466041	0	50	0.0	-59.16	397.40	2.14	-57.02
CCCCC[N@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466047	0	58	0.0	-51.77	446.19	4.58	-47.19
CCCCC[N@@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466047	1	58	0.0	-52.60	446.20	4.58	-48.02
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)O1	REAL300030466056	0	54	0.0	-70.72	420.65	3.11	-67.61
C=CCC(C)(C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300030466063	0	53	0.0	-46.25	385.11	2.92	-43.33
C[S+](C)CCC(O)C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466068	0	49	0.0	-67.84	404.05	0.54	-67.30
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466093	0	51	0.0	-77.52	382.14	-1.12	-78.64
CN1CC[N@H+](C)CC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030466103	0	55	0.0	-63.29	408.80	1.09	-62.20
CN1CC[N@@H+](C)CC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030466103	1	55	0.0	-63.29	408.80	1.09	-62.20
CC(C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[N@@H+]1CCCC(O)C1	REAL300030466104	0	54	0.0	-61.28	409.23	0.14	-61.14
C[N@@H+]1CCCC(O)(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030466122	0	54	0.0	-56.26	411.91	1.43	-54.83
C[N@H+]1CCCC(O)(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030466122	1	54	0.0	-56.26	411.91	1.43	-54.83
CC1CN(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030466125	0	47	0.0	-48.66	372.89	2.14	-46.52
CC1C[NH+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030466125	1	47	0.0	-48.66	372.89	2.14	-46.52
CN(CCO)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466151	0	47	0.0	-46.97	369.68	-1.52	-48.49
C[N@H+](CCO)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466151	1	47	0.0	-48.87	369.69	-1.52	-50.39
C[N@@H+](CCO)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466151	1	47	0.0	-48.87	369.69	-1.52	-50.39
O=C(C1C[N@@H+]2CCN1CCC2)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466173	0	53	0.0	-74.49	389.99	0.62	-73.87
O=C(C1C[N@H+]2CCN1CCC2)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466173	1	53	0.0	-74.49	389.99	0.62	-73.87
CC[N@@H+]1CCCC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030466179	0	53	0.0	-62.88	400.37	3.07	-59.81
CC[N@H+]1CCCC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030466179	1	53	0.0	-62.88	400.37	3.07	-59.81
CC(CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C[NH+](C)C	REAL300030466181	0	52	0.0	-54.44	398.39	3.07	-51.37
CC[N@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466192	0	46	0.0	-47.97	359.33	1.71	-46.26
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CN(C(=O)C34CCC[N@@H+]3CCCC4)C2)C1	REAL300030466216	0	54	0.0	-63.63	392.44	3.04	-60.59
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CN(C(=O)C34CCC[N@H+]3CCCC4)C2)C1	REAL300030466216	1	54	0.0	-63.63	392.44	3.04	-60.59
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CN(C(=O)C34CCC[N@@H+]3CC=CC4)C2)C1	REAL300030466221	0	52	0.0	-62.72	385.08	2.84	-59.88
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CN(C(=O)C34CCC[N@H+]3CC=CC4)C2)C1	REAL300030466221	1	52	0.0	-62.72	385.08	2.84	-59.88
CC[N@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1CC1	REAL300030466241	0	50	0.0	-64.57	380.55	3.06	-61.51
CC[NH+](CC)CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466257	0	52	0.0	-51.77	395.30	2.71	-49.06
CC1(C)CN(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030466280	0	50	0.0	-64.35	392.84	2.78	-61.57
CC1(C)C[NH+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030466280	1	50	0.0	-64.35	392.84	2.78	-61.57
CC1(O)CC[N@H+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030466305	0	51	0.0	-61.21	398.10	-0.44	-61.65
C[NH+](C)CC=CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466312	0	47	0.0	-52.03	378.58	2.29	-49.74
CC(OCC[NH+](C)C)C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466333	0	53	0.0	-57.46	414.75	2.68	-54.78
C[NH+](C)CCOCCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466341	0	53	0.0	-72.58	419.10	1.94	-70.64
COCCN(C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466342	0	50	0.0	-49.86	388.76	0.81	-49.05
COCC[N@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466342	1	50	0.0	-68.59	391.07	0.71	-67.88
COCC[N@@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466342	1	50	0.0	-68.59	391.07	0.71	-67.88
C[NH+](C)C1(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CCCC1	REAL300030466375	0	53	0.0	-54.17	376.82	2.45	-51.72
CC(CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300030466378	0	52	0.0	-53.12	398.98	2.79	-50.33
CCN1CCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466385	0	47	0.0	-67.87	372.34	1.88	-65.99
CC[N@@H+]1CCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466385	1	47	0.0	-68.01	372.38	1.84	-66.17
CC[N@H+]1CCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466385	1	47	0.0	-68.01	372.38	1.84	-66.17
CC(C)[N@@H+]1CCCC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030466395	0	56	0.0	-61.42	417.04	3.60	-57.82
CC(C)[N@H+]1CCCC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030466395	1	56	0.0	-61.42	417.04	3.60	-57.82
O=C(C[N@H+]1CCCC1CO)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466408	0	51	0.0	-64.14	395.33	-0.24	-64.38
O=C(C1CC2CCCC[N@@H+]2C1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466430	0	54	0.0	-67.32	405.66	3.51	-63.81
O=C(C1CC2CCCC[N@H+]2C1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466430	1	54	0.0	-67.32	405.66	3.51	-63.81
C[NH+]1CCC(C)(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC1	REAL300030466436	0	53	0.0	-75.29	391.87	2.61	-72.68
C=CCC(C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300030466464	0	50	0.0	-43.61	384.11	2.51	-41.10
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466474	0	53	0.0	-65.24	405.81	2.96	-62.28
C[NH+](C)CCCCCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466478	0	55	0.0	-61.11	428.46	3.98	-57.13
CC1C[N@@H+]2CCN1C(C(=O)N1CC3(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO3)C2	REAL300030466512	0	53	0.0	-83.30	393.33	0.05	-83.25
CCCC(C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300030466513	0	52	0.0	-44.60	392.25	2.79	-41.81
C[NH+](C)C(C)(C)C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466517	0	49	0.0	-47.00	357.36	1.56	-45.44
C[N@@H+]1CCCCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466555	0	50	0.0	-57.11	383.91	2.72	-54.39
C[N@H+]1CC=C(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC1	REAL300030466588	0	51	0.0	-64.23	400.80	3.37	-60.86
C[N@@H+]1CC=C(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC1	REAL300030466588	1	51	0.0	-64.23	400.80	3.37	-60.86
O=C(CC1([NH+]2CCCC2)CC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466597	0	54	0.0	-64.76	406.90	3.80	-60.96
CN(C)CC1=CC=C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)O1	REAL300030466641	0	50	0.0	-65.86	404.04	2.80	-63.06
C[NH+](C)CC1=CC=C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)O1	REAL300030466641	1	50	0.0	-65.86	404.04	2.80	-63.06
O=C(C=CC[NH+]1CCCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466657	0	51	0.0	-52.72	403.66	3.46	-49.26
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CN(C(=O)C3CC[NH+](C4CC4)CC3)C2)C1	REAL300030466678	0	54	0.0	-57.89	408.40	3.69	-54.20
O=C(CC[NH+]1CCCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466699	0	50	0.0	-50.32	389.93	2.78	-47.54
C[N@@H+]1CC2CC1(C(=O)N1CC3(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO3)C2	REAL300030466743	0	48	0.0	-49.58	362.40	1.73	-47.85
O=C(C[N@@H+]1CC2CCC1C2)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466755	0	51	0.0	-45.43	388.12	3.13	-42.30
O=C(C[N@H+]1CC2CCC1C2)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466755	1	51	0.0	-45.43	388.12	3.13	-42.30
O=C(C=C1C[NH+]2CCC1CC2)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466796	0	52	0.0	-56.13	397.84	3.46	-52.67
O=C(CN1CC2C=CC1C2)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466806	0	49	0.0	-65.59	379.96	2.83	-62.76
O=C(C[N@@H+]1CC2C=CC1C2)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466806	1	49	0.0	-58.55	379.74	2.88	-55.67
O=C(C[N@H+]1CC2C=CC1C2)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466806	1	49	0.0	-58.55	379.74	2.88	-55.67
CC(C[NH+](C)C)C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466854	0	49	0.0	-69.43	381.53	2.21	-67.22
C[N@@H+]1CCCCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466924	0	53	0.0	-57.78	392.49	3.08	-54.70
C[N@H+]1CCCCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466924	1	53	0.0	-63.98	399.47	3.13	-60.85
CC1=C2C=C(C(=O)N3CC4(C3)CN(C(=O)C3=CC(=O)[N-]O3)CCO4)C=CN2C=[NH+]1	REAL300030466940	1	48	0.0	-74.93	389.20	4.63	-70.30
CC(C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+]1CC(C)C1	REAL300030466941	1	50	0.0	-47.15	388.00	2.49	-44.66
CC1CC[N@@H+]1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466944	1	47	0.0	-59.23	366.55	1.83	-57.40
CC1CC[N@H+]1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466944	1	47	0.0	-66.49	372.08	2.00	-64.49
C[NH+](C)CC(O)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466948	0	50	0.0	-56.55	394.18	0.10	-56.45
CC1C[N@H+](C)CC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)O1	REAL300030466975	1	51	0.0	-52.55	395.98	2.22	-50.33
CC1C[N@@H+](C)CC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)O1	REAL300030466975	1	51	0.0	-81.72	388.18	1.91	-79.81
O=C(CC[NH+]1CCC(O)CC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466984	0	54	0.0	-54.09	416.69	0.14	-53.95
CCC[N@@H+]1CCCCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466986	0	56	0.0	-65.32	409.06	3.69	-61.63
CCC[N@H+]1CCCCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466986	1	56	0.0	-55.65	421.22	3.89	-51.76
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030467056	0	50	0.0	-67.07	390.29	2.73	-64.34
CC(CC[NH+](C)C)C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030467064	0	52	0.0	-69.86	403.19	2.82	-67.04
C[N@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[C@@H]1CCC[C@H]1O	REAL300030467084	0	54	0.0	-47.16	412.60	0.25	-46.91
C[N@@H+](CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[C@@H]1CCC[C@H]1O	REAL300030467084	1	54	0.0	-48.57	412.36	0.42	-48.15
C#CC[N@H+]1CCCCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030467090	1	52	0.0	-57.91	408.56	3.79	-54.12
C#CC[N@@H+]1CCCCC1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030467090	1	52	0.0	-65.52	396.30	3.25	-62.27
C[NH+]1CCN(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC1	REAL300030467093	1	52	0.0	-54.05	400.61	0.53	-53.52
CC[NH+]1CCN(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC1	REAL300030467102	0	55	0.0	-53.24	417.85	1.17	-52.07
NC(=[NH2+])SCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030467126	0	41	0.0	-51.65	349.52	-1.99	-53.64
CC[N@@H+]1CCOCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030467161	0	54	0.0	-53.62	410.11	1.61	-52.01
C[NH+](C)C1CCC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC1	REAL300030467176	0	56	0.0	-64.93	411.26	3.51	-61.42
C[NH+](C)CCC1(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC1	REAL300030467177	0	53	0.0	-69.63	414.56	3.42	-66.21
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC1	REAL300030467179	0	56	0.0	-63.15	410.82	3.46	-59.69
C[N@@H+]1CC=CCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030467180	0	51	0.0	-50.83	388.53	3.13	-47.70
C[N@H+]1CC=CCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030467180	1	51	0.0	-50.83	388.53	3.13	-47.70
C[C@@H](OCC[NH+](C)C)C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030467201	0	53	0.0	-69.63	414.18	2.51	-67.12
C[NH+]1C2CCC1CC(C(=O)N1CC3(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO3)C2	REAL300030467227	0	54	0.0	-73.64	379.11	3.24	-70.40
CC(C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+]1CCSCC1	REAL300030467333	1	51	0.0	-47.68	394.71	3.10	-44.58
CCC1C[NH+](CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030467335	1	50	0.0	-48.86	394.26	2.89	-45.97
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CN(C(=O)C3([NH+]4CCCC4)CCC3)C2)C1	REAL300030467337	0	54	0.0	-54.91	395.43	3.38	-51.53
C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030467346	1	47	0.0	-65.81	360.08	1.46	-64.35
O=C(CC[N@@H+]1CCC(F)C1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030467353	1	50	0.0	-72.28	395.39	2.69	-69.59
COC1C[N@@H+](C)C(C)(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030467361	1	54	0.0	-75.14	406.59	1.16	-73.98
O=C(CC[NH+]1CCCCCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030467369	0	56	0.0	-50.10	415.60	3.67	-46.43
O=C(C[NH+]1CCCCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030467371	0	50	0.0	-48.03	383.33	2.92	-45.11
CC1C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC[N@@H+]1C	REAL300030467381	0	50	0.0	-74.21	378.76	2.57	-71.64
CC1C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC[N@H+]1C	REAL300030467381	1	50	0.0	-59.63	382.17	2.33	-57.30
C[N@@H+]1CCCCC1CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030467383	0	56	0.0	-69.12	416.18	3.89	-65.23
C[N@H+]1CCCCC1CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030467383	1	56	0.0	-70.04	421.48	3.79	-66.25
O=C(C1CC[N@@H+]2CCOCC12)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030467411	0	52	0.0	-72.52	400.40	1.41	-71.11
O=C(C1CC[N@H+]2CCOCC12)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030467411	1	52	0.0	-66.12	391.78	1.49	-64.63
CC1=[NH+]C=C2C=CC(C(=O)N3CC4(C3)CN(C(=O)C3=CC(=O)[N-]O3)CCO4)=CN21	REAL300030467416	0	48	0.0	-52.40	388.30	3.87	-48.53
CN1CCOCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030467430	0	51	0.0	-67.18	391.02	0.73	-66.45
C[N@@H+]1CCOCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030467430	1	51	0.0	-60.06	383.58	0.60	-59.46
C[N@H+]1CCOCC1CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030467430	1	51	0.0	-67.18	391.02	0.73	-66.45
CC1=C(C)[NH+]=C(CCC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)N1	REAL300030467438	1	51	0.0	-62.06	412.48	2.44	-59.62
C[N@H+]1CCCC1C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030467608	1	47	0.0	-74.53	364.34	1.78	-72.75
CN1CCOC(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030467634	0	48	0.0	-66.86	368.70	1.20	-65.66
C[N@@H+]1CCOC(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030467634	1	48	0.0	-87.89	374.89	1.20	-86.69
C[N@H+]1CCOC(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030467634	1	48	0.0	-66.86	368.70	1.20	-65.66
CC1=[NH+]C=CN1CCCC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030467794	1	51	0.0	-71.82	412.63	3.95	-67.87
O=C(CC[NH+]1CCOCC1)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030467799	1	51	0.0	-78.17	396.88	1.04	-77.13
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C13CCC[NH+]1CCC3)CCO2	REAL300030467824	0	51	0.0	-68.29	381.20	2.48	-65.81
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC3=C[NH+]=CN3C=C1)CCO2	REAL300030467833	1	45	0.0	-79.98	371.01	4.18	-75.80
C[NH+](C)C1CCCC(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030467887	0	56	0.0	-71.49	410.26	3.42	-68.07
C[N@@H+]1CCC(CC(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030467890	0	50	0.0	-74.38	389.57	2.78	-71.60
C[N@H+]1CCC(CC(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030467890	1	50	0.0	-75.28	389.59	2.79	-72.49
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030467902	0	49	0.0	-85.01	395.08	1.00	-84.01
CCC(C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030467907	0	49	0.0	-70.52	369.44	2.00	-68.52
C[NH+](C)CCCCC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030467969	0	52	0.0	-75.87	406.98	3.17	-72.70
CC(C)C(C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030467991	0	52	0.0	-74.05	381.52	2.54	-71.51
CCC[N@H+](C)CCC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030467993	0	52	0.0	-80.00	403.25	3.02	-76.98
CCC[N@@H+](C)CCC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030467993	1	52	0.0	-79.94	403.25	3.01	-76.93
CCC[N@H+](C)CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030467998	0	49	0.0	-74.64	380.83	2.37	-72.27
CCC[N@@H+](C)CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030467998	1	49	0.0	-74.37	380.83	2.38	-71.99
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C13CC[N@H+](C1)CCC3)CCO2	REAL300030468021	0	51	0.0	-57.49	368.25	1.58	-55.91
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C13CC[N@@H+](C1)CCC3)CCO2	REAL300030468021	1	51	0.0	-73.37	375.55	1.86	-71.51
CCCCCC[N@H+](C)CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030468053	0	58	0.0	-75.85	445.34	4.73	-71.12
CCCCCC[N@@H+](C)CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030468053	1	58	0.0	-75.67	445.32	4.74	-70.93
CC[NH+](CC)C(C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C(C)C	REAL300030468057	0	58	0.0	-69.04	416.25	3.73	-65.31
CC1CC[NH+](CC(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030468089	0	53	0.0	-78.57	404.24	3.48	-75.09
C[NH+]1CCC(OCC(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030468115	0	54	0.0	-80.11	421.56	3.16	-76.95
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC3CCCC[N@@H+]3C1)CCO2	REAL300030468157	0	54	0.0	-73.23	405.27	3.48	-69.75
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC3CCCC[N@H+]3C1)CCO2	REAL300030468157	1	54	0.0	-76.66	406.42	3.66	-73.00
C[NH+](C)CC1(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030468168	0	50	0.0	-68.57	391.27	2.73	-65.84
CC(C)[NH+]1CCC(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030468179	0	56	0.0	-75.34	419.08	3.69	-71.65
CC[N@H+](C)CCC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030468200	0	49	0.0	-79.17	381.75	2.28	-76.89
CC[N@@H+](C)CCC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030468200	1	49	0.0	-79.13	381.75	2.27	-76.86
CC(C)(C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCCCC1	REAL300030468226	0	56	0.0	-72.62	404.40	3.54	-69.08
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1C[NH+]3CCC1CC3)CCO2	REAL300030468234	0	51	0.0	-82.68	379.06	2.50	-80.18
C[NH+]1CCC(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030468309	0	50	0.0	-78.89	385.71	2.56	-76.33
CC(C)[C@H](C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030468327	0	52	0.0	-67.63	386.07	2.64	-64.99
CC[NH+](CC)CC(F)C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030468413	0	52	0.0	-77.83	397.24	2.60	-75.23
CC(C)C[N@@H+]1CCC(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030468445	0	56	0.0	-73.96	423.80	3.83	-70.13
CC(C)C[N@H+]1CCC(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030468445	1	56	0.0	-75.32	424.09	3.80	-71.52
C[NH+](C)C1(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCC1	REAL300030468449	0	50	0.0	-78.46	367.16	2.14	-76.32
CCC(C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](CC)CC	REAL300030468480	0	55	0.0	-69.82	402.55	3.35	-66.47
CC1CCC[N@@H+]1CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030468500	0	50	0.0	-70.80	380.30	2.36	-68.44
CC1CCC[N@H+]1CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030468500	1	50	0.0	-75.21	387.18	2.72	-72.49
CC(C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCCCCC1	REAL300030468555	0	56	0.0	-70.13	406.45	3.34	-66.79
CC(C)[N@@H+]1CCCCC1C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030468557	0	56	0.0	-69.51	406.82	3.30	-66.21
CC(C)[N@H+]1CCCCC1C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030468557	1	56	0.0	-64.87	414.51	3.65	-61.22
CC(C)[N@@H+]1CCCC1C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030468578	0	53	0.0	-70.86	398.28	3.02	-67.84
CC(C)[N@H+]1CCCC1C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030468578	1	53	0.0	-67.73	398.25	3.05	-64.68
CC(C)[N@@H+]1CCCC1CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030468584	0	56	0.0	-72.40	420.34	3.79	-68.61
CC(C)[N@H+]1CCCC1CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030468584	1	56	0.0	-64.75	410.70	3.56	-61.19
CC(C)[C@@H](C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030468597	0	52	0.0	-73.37	383.25	2.55	-70.82
CC1CC[N@H+](CC(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030468617	0	50	0.0	-76.96	388.26	2.60	-74.36
CC1CC[N@@H+](CC(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030468617	1	50	0.0	-70.27	388.16	2.80	-67.47
CC1(C)CC[N@H+](CC(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030468621	0	53	0.0	-70.92	407.82	3.38	-67.54
CC1(C)CC[N@@H+](CC(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030468621	1	53	0.0	-75.11	408.75	3.38	-71.73
C[N@H+](CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC(C)(C)C	REAL300030468622	0	55	0.0	-75.56	411.02	3.53	-72.03
C[N@@H+](CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)CC(C)(C)C	REAL300030468622	1	55	0.0	-73.82	411.39	3.52	-70.30
CC[C@@H](C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030468630	0	49	0.0	-71.78	372.29	2.17	-69.61
CC1=[NH+]C=CN1CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030468820	1	45	0.0	-70.95	370.00	2.55	-68.40
CC(C[NH+]1CCOCC1)C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030468821	0	54	0.0	-82.72	413.41	1.64	-81.08
O=C(CCC[NH+]1CCCCC1)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030468837	0	56	0.0	-74.67	427.11	4.26	-70.41
C[NH+](C)CC1=CC(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=NO1	REAL300030468852	1	49	0.0	-63.30	398.71	2.46	-60.84
CC1=C(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=CC2=C[NH+]=CN21	REAL300030468853	0	48	0.0	-79.53	395.69	4.75	-74.78
CC(C)C1=[NH+]C=CN1CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030468887	1	51	0.0	-68.90	410.99	3.76	-65.14
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCCC3CCC[N@@H+]31)CCO2	REAL300030468918	0	54	0.0	-71.20	395.77	3.25	-67.95
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCCC3CCC[N@H+]31)CCO2	REAL300030468918	1	54	0.0	-66.53	395.93	3.14	-63.39
CC[N@@H+]1CCOC(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030468935	1	51	0.0	-82.05	385.84	1.67	-80.38
CC[N@H+]1CCOC(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030468935	1	51	0.0	-62.75	387.15	1.84	-60.91
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CN3C=[NH+]C=C3C=C1)CCO2	REAL300030468986	0	45	0.0	-76.23	370.77	4.17	-72.06
CC1=C[NH+]=CN1CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030468991	1	45	0.0	-71.60	370.31	3.28	-68.32
C[C@@H]1[C@H](C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300030469005	0	50	0.0	-78.66	379.24	2.40	-76.26
C[C@@H]1[C@H](C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300030469005	1	50	0.0	-72.20	379.93	2.50	-69.70
CC[C@@H]1[C@@H](C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300030469009	0	53	0.0	-74.82	399.29	2.65	-72.17
CC[C@@H]1[C@@H](C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300030469009	1	53	0.0	-77.70	399.76	2.80	-74.90
CC1CCC(C)[NH+]1CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030469020	0	53	0.0	-70.79	399.24	3.02	-67.77
O=C(CCC[NH+]1CCCC1)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030469026	0	53	0.0	-74.18	409.84	3.46	-70.72
C#CC[NH+]1CCC(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030469032	0	52	0.0	-78.00	409.42	3.66	-74.34
O=C(CC[NH+]1CCCCC1)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030469033	0	53	0.0	-78.58	405.65	3.48	-75.10
CC[N@@H+]1CCCCC1C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030469040	0	53	0.0	-66.95	398.97	3.15	-63.80
CC[N@H+]1CCCCC1C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030469040	1	53	0.0	-73.74	389.10	2.73	-71.01
C[NH+](C)C1(CC(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCCC1	REAL300030469080	0	56	0.0	-78.41	406.73	3.62	-74.79
C[N@H+](CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300030469221	0	50	0.0	-72.80	387.77	2.95	-69.85
C[N@@H+](CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300030469221	1	50	0.0	-72.18	387.74	2.94	-69.24
CC(C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1C(C)CCC1C	REAL300030469243	0	56	0.0	-71.34	409.95	3.52	-67.82
O=C(CCCC[NH+]1CCCC1)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030469255	0	56	0.0	-75.11	431.32	4.23	-70.88
C[NH+]1CCC(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030469266	0	50	0.0	-78.89	385.71	2.56	-76.33
C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030469307	0	47	0.0	-75.25	360.13	1.55	-73.70
C[N@H+]1CCC[C@@H]1C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030469307	1	47	0.0	-71.51	363.91	1.83	-69.68
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030469330	1	49	0.0	-71.05	388.04	2.88	-68.17
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030469330	1	49	0.0	-70.87	389.94	3.10	-67.77
C[N@@H+]1CCCC1CCC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030469336	0	53	0.0	-75.24	409.01	3.53	-71.71
C[N@H+]1CCCC1CCC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030469336	1	53	0.0	-76.78	406.72	3.51	-73.27
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C13CCC[NH+](CCC1)C3)CCO2	REAL300030469345	0	54	0.0	-83.89	388.22	2.62	-81.27
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCC3CCCC[N@@H+]31)CCO2	REAL300030469348	0	54	0.0	-72.19	406.24	3.70	-68.49
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCC3CCCC[N@H+]31)CCO2	REAL300030469348	1	54	0.0	-72.13	406.02	3.77	-68.36
CCC[N@@H+]1CCCC(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030469417	0	56	0.0	-74.00	417.21	4.02	-69.98
CCC[N@H+]1CCCC(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030469417	1	56	0.0	-75.57	425.16	3.93	-71.64
CC(C)[N@@H+]1CCOC(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030469432	1	54	0.0	-74.83	402.75	2.21	-72.62
CC(C)[N@H+]1CCOC(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030469432	1	54	0.0	-81.76	410.44	2.38	-79.38
C[N@@H+]1CCCCC1C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030469455	0	50	0.0	-73.22	382.55	2.54	-70.68
C[N@H+]1CCCCC1C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030469455	1	50	0.0	-66.13	383.32	2.74	-63.39
CC(C)C[N@@H+]1CCCC1C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030469478	0	56	0.0	-73.81	422.72	3.93	-69.88
CC(C)C[N@H+]1CCCC1C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030469478	1	56	0.0	-70.00	413.42	3.28	-66.72
O=C(C[NH+]1CCC(CO)CC1)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030469493	0	54	0.0	-79.79	415.07	0.16	-79.63
CC1C(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300030469536	0	50	0.0	-74.53	384.15	2.32	-72.21
CC1C(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300030469536	1	50	0.0	-79.06	376.37	2.36	-76.70
C[N@@H+]1CCCCC1CCC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030469538	0	56	0.0	-71.77	424.14	4.13	-67.64
C[N@H+]1CCCCC1CCC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030469538	1	56	0.0	-80.06	416.74	3.90	-76.16
NC1=[NH+]C2=C(C=C1C(=O)N1CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)CCC2	REAL300030469569	1	50	0.0	-65.40	398.71	1.79	-63.61
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030469627	0	53	0.0	-74.67	381.16	1.97	-72.70
CC(C)(C)[N@H+]1CCC1C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030469627	1	53	0.0	-69.74	402.28	2.66	-67.08
C[C@@H](C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030469645	0	46	0.0	-71.41	358.32	1.40	-70.01
C=CCC(C)(C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030469662	0	53	0.0	-70.23	386.57	2.44	-67.79
O=C(CC[NH+]1CCCC1)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030469684	0	50	0.0	-78.64	389.98	2.78	-75.86
C[N@H+](CCO)CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030469694	1	47	0.0	-74.30	369.69	-1.59	-75.89
C[N@@H+](CCO)CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030469694	1	47	0.0	-74.89	369.44	-1.56	-76.45
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1C[N@@H+]3CCN1CCC3)CCO2	REAL300030469730	0	53	0.0	-81.54	387.33	0.22	-81.32
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1C[N@H+]3CCN1CCC3)CCO2	REAL300030469730	1	53	0.0	-87.92	386.36	0.50	-87.42
CC(C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCSCC1	REAL300030469751	1	51	0.0	-76.06	392.63	2.65	-73.41
C[N@H+]1CC=C(CC(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030469783	0	51	0.0	-72.42	400.73	3.36	-69.06
C[N@@H+]1CC=C(CC(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030469783	1	51	0.0	-73.78	400.79	3.37	-70.41
C[S+](C)CCC(O)C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030469798	0	49	0.0	-79.76	401.77	0.43	-79.33
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030469816	0	51	0.0	-79.56	382.69	-1.25	-80.81
C[N@H+]1CC(O)CC1(C)C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030469816	1	51	0.0	-73.87	384.68	-1.57	-75.44
CN1CC[N@H+](C)CC(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030469826	0	55	0.0	-73.06	416.17	1.14	-71.92
CN1CC[N@@H+](C)CC(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030469826	1	55	0.0	-74.62	407.87	0.92	-73.70
CC(C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[N@@H+]1CCCC(O)C1	REAL300030469827	0	54	0.0	-71.39	412.18	-0.02	-71.41
CC(C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[N@H+]1CCCC(O)C1	REAL300030469827	1	54	0.0	-71.90	409.91	0.18	-71.72
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030469854	0	50	0.0	-74.06	403.86	1.95	-72.11
C[N@@H+]1CCCC(O)(CC(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030469860	0	54	0.0	-72.46	410.25	1.62	-70.84
C[N@H+]1CCCC(O)(CC(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030469860	1	54	0.0	-61.71	413.00	1.52	-60.19
CC1C[NH+](CC(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030469865	1	47	0.0	-75.96	374.16	2.22	-73.74
CC[N@@H+]1CCCC(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030469872	0	53	0.0	-68.69	394.26	3.22	-65.47
CC[N@H+]1CCCC(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030469872	1	53	0.0	-71.54	402.49	3.13	-68.41
NC1=[NH+]C=CC=C1CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030469878	0	46	0.0	-70.75	375.86	0.84	-69.91
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCC[N@@H+]1C1CC1)CCO2	REAL300030469890	0	51	0.0	-70.60	396.27	3.43	-67.17
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CCC[N@H+]1C1CC1)CCO2	REAL300030469890	1	51	0.0	-73.66	385.63	2.74	-70.92
O=C(C=CC[NH+]1CCCC1)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030469932	0	51	0.0	-81.06	402.86	3.41	-77.65
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC[NH+](C3CC3)CC1)CCO2	REAL300030469953	0	54	0.0	-58.58	412.12	3.91	-54.67
CC[N@H+](C)CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030469996	0	46	0.0	-74.09	359.33	1.64	-72.45
O=C(CN1CC2C=CC1C2)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030470047	0	49	0.0	-72.53	380.70	2.95	-69.58
O=C(C[N@@H+]1CC2C=CC1C2)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030470047	1	49	0.0	-73.89	381.38	2.83	-71.06
O=C(C[N@H+]1CC2C=CC1C2)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030470047	1	49	0.0	-73.89	381.38	2.83	-71.06
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C13CCC[N@@H+]1CCCC3)CCO2	REAL300030470166	0	54	0.0	-70.25	392.00	2.93	-67.32
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C13CCC[N@H+]1CCCC3)CCO2	REAL300030470166	1	54	0.0	-70.25	392.00	2.93	-67.32
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C13CCC[N@@H+]1CC=CC3)CCO2	REAL300030470173	0	52	0.0	-68.59	383.61	2.65	-65.94
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C13CCC[N@H+]1CC=CC3)CCO2	REAL300030470173	1	52	0.0	-68.59	383.61	2.65	-65.94
CC(OCC[NH+](C)C)C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030470183	0	53	0.0	-73.24	413.54	2.56	-70.68
C[NH+](C)CCOCCC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030470192	0	53	0.0	-72.66	418.43	1.82	-70.84
COCCN(C)CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030470194	0	50	0.0	-75.11	391.69	0.83	-74.28
COCC[N@H+](C)CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030470194	1	50	0.0	-74.55	391.95	0.81	-73.74
COCC[N@@H+](C)CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030470194	1	50	0.0	-74.55	391.95	0.81	-73.74
CC(CCC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030470199	0	52	0.0	-76.44	395.25	2.77	-73.67
CC[N@H+](CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300030470224	0	50	0.0	-71.79	388.04	2.98	-68.81
CC1C[N@@H+]2CCN1C(C(=O)N1CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300030470239	0	53	0.0	-84.43	391.52	-0.38	-84.81
C[N@@H+]1CC2CC1(C(=O)N1CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300030470262	0	48	0.0	-76.12	369.25	1.85	-74.27
CC1=NC(N)=CC=C1C=CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030470271	0	50	0.0	-75.95	405.54	1.68	-74.27
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030470271	1	50	0.0	-75.95	405.54	1.68	-74.27
O=C(C[N@@H+]1CC2CCC1C2)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030470277	0	51	0.0	-72.13	387.22	3.04	-69.09
CC(C[NH+](C)C)C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030470297	0	49	0.0	-74.29	377.93	2.11	-72.18
CCN1CCC1C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030470345	0	47	0.0	-70.96	364.41	1.68	-69.28
CC[N@@H+]1CCC1C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030470345	1	47	0.0	-76.66	372.56	1.90	-74.76
CC[N@H+]1CCC1C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030470345	1	47	0.0	-76.66	372.56	1.90	-74.76
CC(C)[N@@H+]1CCCC(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030470357	0	56	0.0	-75.46	420.14	3.71	-71.75
CC(C)[N@H+]1CCCC(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030470357	1	56	0.0	-75.46	420.14	3.71	-71.75
CCC(C)(C)[NH2+]C(C)C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030470372	0	55	0.0	-75.52	406.23	1.53	-73.99
C#CCN1CCCCC1C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030470413	0	52	0.0	-72.08	406.63	3.69	-68.39
C#CC[N@H+]1CCCCC1C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030470413	1	52	0.0	-71.63	409.22	3.89	-67.74
C#CC[N@@H+]1CCCCC1C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030470413	1	52	0.0	-71.63	409.22	3.89	-67.74
CNC1=NC(C)=CC=C1C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030470414	0	49	0.0	-67.30	394.65	1.63	-65.67
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030470414	1	49	0.0	-67.30	394.65	1.63	-65.67
CCCC(C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030470424	0	52	0.0	-70.17	390.82	2.65	-67.52
C[NH+](C)C(C)(C)C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030470431	0	49	0.0	-76.69	362.47	1.53	-75.16
CC(CC[NH+](C)C)C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030470449	0	52	0.0	-78.78	401.44	2.76	-76.02
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C13CC(C1)C[N@@H+]3C1CC1)CCO2	REAL300030470516	0	52	0.0	-54.88	394.96	4.50	-50.38
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030470550	0	53	0.0	-71.77	405.40	3.13	-68.64
C[NH+](C)CCCCCC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030470555	0	55	0.0	-75.04	428.47	3.96	-71.08
O=C(CC[NH+]1CCC(O)CC1)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030470559	0	54	0.0	-78.77	416.26	0.08	-78.69
CCC[N@@H+]1CCCCC1C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030470563	0	56	0.0	-74.30	410.60	3.46	-70.84
CCC[N@H+]1CCCCC1C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030470563	1	56	0.0	-74.30	410.60	3.46	-70.84
CN1CCN(CC(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030470572	0	52	0.0	-73.99	402.15	0.66	-73.33
C[NH+]1CCN(CC(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030470572	1	52	0.0	-73.99	402.15	0.66	-73.33
CC1CN(C)CC(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300030470665	0	51	0.0	-90.69	389.82	1.97	-88.72
CC1C[N@H+](C)CC(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300030470665	1	51	0.0	-81.76	388.77	1.81	-79.95
CC1C[N@@H+](C)CC(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300030470665	1	51	0.0	-81.76	388.77	1.81	-79.95
CCC1CCC[N@H+](CC(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030470697	0	56	0.0	-72.07	423.75	4.25	-67.82
CCC1CCC[N@@H+](CC(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030470697	1	56	0.0	-72.07	423.75	4.25	-67.82
O=C(CC1([NH+]2CCCC2)CC1)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030470733	0	54	0.0	-70.49	408.79	3.89	-66.60
C[N@@H+]1CCCCC1C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030470770	0	50	0.0	-66.13	383.32	2.74	-63.39
C[N@@H+]1CCC(=CC(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030470885	0	48	0.0	-57.32	379.47	2.74	-54.58
C[N@H+]1CCC(=CC(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030470885	1	48	0.0	-78.74	378.35	2.61	-76.13
O=C(CNC1=CC=[NH+]C=C1)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030470890	0	46	0.0	-73.81	377.33	0.26	-73.55
CC[NH+]1CCN(CC(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030470944	0	55	0.0	-68.13	419.04	1.26	-66.87
O=C(C=C1C[NH+]2CCC1CC2)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030470947	0	52	0.0	-74.13	397.02	3.42	-70.71
C[NH+](C)C1(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CCCC1	REAL300030470982	0	53	0.0	-73.25	377.24	2.24	-71.01
C[N@H+](CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[C@@H]1CCC[C@H]1O	REAL300030470993	0	54	0.0	-73.13	412.51	0.33	-72.80
C[N@@H+](CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[C@@H]1CCC[C@H]1O	REAL300030470993	1	54	0.0	-76.87	413.02	0.16	-76.71
CCC1C[NH+](CC(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030470997	1	50	0.0	-77.03	395.52	2.98	-74.05
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1([NH+]3CCCC3)CCC1)CCO2	REAL300030471001	0	54	0.0	-75.27	400.25	3.32	-71.95
C[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030471015	0	47	0.0	-70.45	363.15	1.76	-68.69
C[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030471015	1	47	0.0	-74.58	361.45	1.65	-72.93
CC[N@@H+]1CCOCC1CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030471043	0	54	0.0	-77.22	405.20	1.33	-75.89
NC1=NC2=CC(C(=O)N3CCOC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)=CC=C2N1	REAL300030471124	0	47	0.0	-75.49	385.88	1.95	-73.54
NC1=[NH+]C2=CC(C(=O)N3CCOC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)=CC=C2N1	REAL300030471124	1	47	0.0	-75.49	385.88	1.95	-73.54
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030471158	0	50	0.0	-76.75	390.77	2.72	-74.03
C[NH+](C)C1CCC(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030471172	0	56	0.0	-81.49	420.08	3.71	-77.78
C[NH+](C)CCC1(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030471173	0	53	0.0	-67.92	415.41	3.50	-64.42
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030471175	0	56	0.0	-72.85	410.20	3.45	-69.40
C[N@@H+]1CC=CCC1CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030471176	0	51	0.0	-76.52	392.75	3.08	-73.44
C[N@H+]1CC=CCC1CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030471176	1	51	0.0	-76.52	392.75	3.08	-73.44
CC1=CC(C=CC(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CN=C1N	REAL300030471224	0	50	0.0	-78.86	405.78	2.00	-76.86
CC1=CC(C=CC(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C[NH+]=C1N	REAL300030471224	1	50	0.0	-78.86	405.78	2.00	-76.86
C[NH+](C)CCOCC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030471236	0	50	0.0	-74.61	397.47	2.12	-72.49
CCCCC[N@H+](C)CCC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030471242	0	58	0.0	-77.43	446.19	4.57	-72.86
CCCCC[N@@H+](C)CCC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030471242	1	58	0.0	-77.43	446.19	4.57	-72.86
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300030471253	0	54	0.0	-77.39	417.32	3.24	-74.15
[NH2+]=C1SC=CN1CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030471277	0	43	0.0	-68.04	368.67	1.17	-66.87
C[C@@H](OCC[NH+](C)C)C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030471346	0	53	0.0	-70.19	413.48	2.58	-67.61
O=C(CC[NH+]1CCCCCC1)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030471384	0	56	0.0	-80.81	415.67	3.68	-77.13
O=C(C[NH+]1CCCCC1)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030471388	0	50	0.0	-77.62	383.39	2.86	-74.76
C[N@@H+]1CCCC(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030471390	0	50	0.0	-68.21	376.43	2.63	-65.58
C[N@H+]1CCCC(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030471390	1	50	0.0	-75.41	385.66	2.53	-72.88
O=C(C[NH+]1CCC(CO)CC1)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030471391	0	54	0.0	-79.79	415.07	0.16	-79.63
O=C(C[NH+]1CCCCCC1)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030471392	0	53	0.0	-73.31	392.74	3.03	-70.28
CN1C=C[N+](CC(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300030471397	0	45	0.0	-70.45	372.84	4.49	-65.96
C[NH+](C)CC1=CC=C(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300030471413	1	50	0.0	-58.24	404.13	2.92	-55.32
O=C(C[NH+]1CCC(O)CC1)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030471429	1	51	0.0	-82.80	394.48	-0.49	-83.29
C[N@@H+](CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300030471434	1	47	0.0	-71.76	371.06	2.39	-69.37
CC(C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)N1CC[NH+](C)CC1	REAL300030471436	1	55	0.0	-71.63	410.42	0.70	-70.93
O=C(CC[N@@H+]1CCC(F)C1)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030471438	1	50	0.0	-79.79	397.45	2.99	-76.80
COC1C[N@@H+](C)C(C)(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030471448	1	54	0.0	-74.36	404.60	0.78	-73.58
CC(CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300030471465	0	52	0.0	-76.03	398.78	3.04	-72.99
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC[N@@H+]3CCOCC13)CCO2	REAL300030471480	0	52	0.0	-81.87	399.01	1.28	-80.59
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC[N@H+]3CCOCC13)CCO2	REAL300030471480	1	52	0.0	-74.59	391.06	1.07	-73.52
CC1=[NH+]C=C2C=CC(C(=O)N3CCOC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)=CN21	REAL300030471485	0	48	0.0	-75.51	398.96	4.27	-71.24
CN1CCOCC1CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030471499	0	51	0.0	-82.56	393.29	0.99	-81.57
C[N@@H+]1CCOCC1CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030471499	1	51	0.0	-80.79	392.03	0.86	-79.93
C[N@H+]1CCOCC1CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030471499	1	51	0.0	-82.56	393.29	0.99	-81.57
CC[NH+]1CCN(CC(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030471507	0	55	0.0	-68.13	419.04	1.26	-66.87
CC1=CC(N)=[NH+]C=C1C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030471559	1	46	0.0	-76.43	374.52	0.27	-76.16
NC1=CC=C(CCC(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=[NH+]1	REAL300030471562	0	49	0.0	-73.45	400.62	1.54	-71.91
CC1(O)CC[N@@H+](CC(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030471601	1	51	0.0	-73.05	399.33	-0.44	-73.49
C[NH+]1CC(CC(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030471635	0	47	0.0	-76.10	372.70	1.78	-74.32
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC[N@H+]1C1CCCC1)CCO2	REAL300030471640	1	54	0.0	-77.91	412.18	3.67	-74.24
C[NH+](C)CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030471648	0	43	0.0	-74.84	341.66	0.98	-73.86
C[N@H+](CCO)CCC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030471676	0	50	0.0	-78.60	392.10	-0.95	-79.55
C[N@@H+](CCO)CCC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030471676	1	50	0.0	-78.52	392.05	-0.96	-79.48
C[C@@H](C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030471677	0	46	0.0	-71.41	358.32	1.40	-70.01
C[N@@H+]1CCCCC1CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030471697	0	53	0.0	-65.41	393.37	3.09	-62.32
C[N@H+]1CCCCC1CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030471697	1	53	0.0	-70.65	393.43	3.10	-67.55
CC1=C2C=C(C(=O)N3CCOC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C=CN2C=[NH+]1	REAL300030471717	1	48	0.0	-78.08	392.91	4.74	-73.34
CC(C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CC(C)C1	REAL300030471718	1	50	0.0	-69.44	392.85	2.71	-66.73
CC1CCN1CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030471722	0	47	0.0	-75.62	367.45	1.80	-73.82
CC1CC[N@@H+]1CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030471722	1	47	0.0	-69.84	374.08	2.24	-67.60
CC1CC[N@H+]1CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030471722	1	47	0.0	-75.62	367.45	1.80	-73.82
C[NH+](C)CC=CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030471735	0	47	0.0	-81.52	376.57	2.23	-79.29
CC1(C)C[NH+](CC(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030471748	1	50	0.0	-74.67	392.03	2.57	-72.10
CC1=C(C)[NH+]=C(CCC(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)N1	REAL300030471766	1	51	0.0	-69.09	412.79	2.36	-66.73
CC1=C2C=C(C(=O)N3CCOC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C=CN2C=[NH+]1	REAL300030471777	1	48	0.0	-78.08	392.91	4.74	-73.34
C[NH+](C)CCSCC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030471786	0	50	0.0	-79.03	408.50	3.00	-76.03
O=C(C[N@@H+]1CCCC1CO)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030471811	1	51	0.0	-77.28	391.70	-0.98	-78.26
CC[NH+](CC)CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030471815	0	49	0.0	-72.65	372.94	2.05	-70.60
C[N@@H+](CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCSC1	REAL300030471825	1	51	0.0	-79.69	400.94	3.20	-76.49
O=C(C[NH+]1CCC1)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030471827	1	44	0.0	-72.03	353.09	1.60	-70.43
CC[NH+](CC)CCC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030471873	0	52	0.0	-74.58	399.56	2.95	-71.63
C[NH+](C)CC1=CNC(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300030471935	0	51	0.0	-80.49	405.89	2.62	-77.87
CC(C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCC(O)CC1	REAL300030471952	0	54	0.0	-74.81	403.45	-0.42	-75.23
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC3COCC[N@@H+]3C1)CCO2	REAL300030471958	0	52	0.0	-72.03	397.73	1.37	-70.66
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC3COCC[N@H+]3C1)CCO2	REAL300030471958	1	52	0.0	-79.37	396.88	1.18	-78.19
CC(C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCC1	REAL300030471972	1	47	0.0	-69.03	360.87	1.70	-67.33
CCC(CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300030471978	0	55	0.0	-76.78	412.85	3.50	-73.28
NC1=CC=C(C=CC(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=[NH+]1	REAL300030471985	0	47	0.0	-80.49	387.92	1.22	-79.27
C[NH+](C)CC(C)(C)C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030471986	0	52	0.0	-67.95	378.63	2.15	-65.80
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030472044	0	50	0.0	-68.37	372.16	2.25	-66.12
C[N@H+]1CCCC[C@@H]1C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030472044	1	50	0.0	-71.10	382.66	2.65	-68.45
CC1CN2CC[N@@H+]1CC2C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030472058	0	53	0.0	-81.66	389.55	-0.48	-82.14
CC1CN2CC[N@H+]1CC2C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030472058	1	53	0.0	-80.27	391.12	-0.38	-80.65
C[NH+](C)CC(O)CC(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030472079	0	50	0.0	-78.80	394.30	0.02	-78.78
C[NH+]1C2CCC1CC(C(=O)N1CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300030472082	0	54	0.0	-74.43	400.07	3.05	-71.38
C=CCC(C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030472114	0	50	0.0	-74.07	386.42	2.55	-71.52
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC3CCCC[N@@H+]3C1)CCO2	REAL300030472122	0	54	0.0	-73.23	405.27	3.48	-69.75
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1CC3CCCC[N@H+]3C1)CCO2	REAL300030472122	1	54	0.0	-76.66	406.42	3.66	-73.00
C[NH+]1CCC(C)(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030472133	0	53	0.0	-74.31	389.54	2.51	-71.80
C[NH+]1CCC(O)(CC(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030472135	0	54	0.0	-72.43	413.21	1.48	-70.95
CC1=C2C=C(C(=O)N3CC4(C3)CN(C(=O)C3=CC(=O)[N-]O3)CCO4)C=CN2C=[NH+]1	REAL300030472211	1	48	0.0	-74.93	389.20	4.63	-70.30
C[NH+](C)CCSCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030472220	0	50	0.0	-61.26	408.50	2.99	-58.27
O=C(C1CC2COCC[N@@H+]2C1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030472228	0	52	0.0	-68.01	398.63	1.19	-66.82
O=C(C1CC2COCC[N@H+]2C1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030472228	1	52	0.0	-55.94	399.59	1.46	-54.48
C[N@@H+]1CCCC1C(=O)NC1CCCCC12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030472346	0	58	0.0	-57.21	402.48	5.43	-51.78
C[N@H+]1CCCC1C(=O)NC1CCCCC12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030472346	1	58	0.0	-66.58	406.93	5.44	-61.14
CCC(C(=O)NC1CCCCC12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030472459	0	60	0.0	-70.80	414.63	5.94	-64.86
CCC[N@H+](C)CC(=O)NC1CCCCC12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030472464	0	60	0.0	-75.62	426.28	6.15	-69.47
CCC[N@@H+](C)CC(=O)NC1CCCCC12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030472464	1	60	0.0	-75.61	426.23	6.13	-69.48
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCCCC12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030472470	0	58	0.0	-73.41	407.12	5.12	-68.29
C[N@H+]1CCC[C@@H]1C(=O)NC1CCCCC12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030472470	1	58	0.0	-72.41	411.27	5.89	-66.52
CC[NH+](CC)CC(=O)NC1CCCCC12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030472473	0	60	0.0	-54.36	412.90	7.19	-47.17
CC[N@H+](C)CCC(=O)NC1CCCCC12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030472517	0	60	0.0	-78.61	427.14	5.95	-72.66
CC[N@@H+](C)CCC(=O)NC1CCCCC12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030472517	1	60	0.0	-78.54	427.09	5.95	-72.59
CC[C@@H](C(=O)NC1CCCCC12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030472520	0	60	0.0	-42.16	408.55	6.89	-35.27
C[NH+](C)CC(=O)NC1CCCCC12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030472537	0	54	0.0	-75.83	387.04	4.74	-71.09
CC(C(=O)NC1CCCCC12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300030472542	1	58	0.0	-71.47	415.94	5.55	-65.92
C[N@H+](CC(=O)NC1CCCCC12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030472549	0	58	0.0	-73.00	416.45	6.15	-66.85
C[N@@H+](CC(=O)NC1CCCCC12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030472549	1	58	0.0	-72.96	416.41	6.14	-66.82
C[NH+]1CC(CC(=O)NC2CCCCC23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030472554	0	58	0.0	-77.46	418.31	5.55	-71.91
C[C@@H](C(=O)NC1CCCCC12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030472563	0	57	0.0	-72.82	405.76	4.89	-67.93
C[C@@H](C(=O)NC1CCCCC12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030472585	0	57	0.0	-72.82	405.76	4.89	-67.93
C[C@H](C(=O)NC1CCCCC12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030472612	0	57	0.0	-74.23	405.09	5.15	-69.08
CC1C[NH+](CC(=O)NC2CCCCC23CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030472620	1	58	0.0	-74.64	418.14	5.63	-69.01
C[N@H+](CCO)CC(=O)NC1CCCCC12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030472630	1	58	0.0	-76.57	415.08	2.17	-74.40
C[N@@H+](CCO)CC(=O)NC1CCCCC12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030472630	1	58	0.0	-76.50	415.01	2.18	-74.32
CC[N@H+](C)CC(=O)NC1CCCCC12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030472636	0	57	0.0	-43.49	397.59	6.52	-36.97
CC[N@@H+](C)CC(=O)NC1CCCCC12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030472636	1	57	0.0	-75.02	404.68	5.45	-69.57
C[NH+](C)CC=CC(=O)NC1CCCCC12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030472654	0	58	0.0	-82.18	422.96	5.96	-76.22
CC[N@@H+]1CCC1C(=O)NC1CCCCC12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030472659	1	58	0.0	-74.06	410.94	5.50	-68.56
CC[N@H+]1CCC1C(=O)NC1CCCCC12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030472659	1	58	0.0	-63.28	418.76	5.82	-57.46
CC(C[NH+](C)C)C(=O)NC1CCCCC12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030472709	0	60	0.0	-78.28	425.40	6.00	-72.28
CC1CC[N@@H+]1CC(=O)NC1CCCCC12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030472720	1	58	0.0	-54.79	403.38	6.66	-48.13
CC1CC[N@H+]1CC(=O)NC1CCCCC12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030472720	1	58	0.0	-53.08	409.06	6.95	-46.13
NC(=[NH2+])SCC(=O)NC1CCCCC12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030472743	0	52	0.0	-59.36	385.48	2.79	-56.57
C[N@@H+]1CCC[C@H]1C(=O)NC1CCCCC12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030472772	0	58	0.0	-70.30	413.61	5.38	-64.92
C[N@H+]1CCC[C@H]1C(=O)NC1CCCCC12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030472772	1	58	0.0	-63.63	407.33	5.37	-58.26
C[N@@H+]1CCCC1C(=O)N1CCCC2(CCCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030472891	0	58	0.0	-68.53	416.50	5.62	-62.91
C[N@H+]1CCCC1C(=O)N1CCCC2(CCCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030472891	1	58	0.0	-70.66	409.12	5.52	-65.14
CCC(C(=O)N1CCCC2(CCCCC2NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030472981	0	60	0.0	-58.85	417.49	5.92	-52.93
CCC[N@H+](C)CC(=O)N1CCCC2(CCCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030472985	0	60	0.0	-64.34	429.49	6.47	-57.87
CCC[N@@H+](C)CC(=O)N1CCCC2(CCCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030472985	1	60	0.0	-64.22	429.47	6.45	-57.77
CC[N@H+](C)CCC(=O)N1CCCC2(CCCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030473005	0	60	0.0	-68.54	430.36	6.32	-62.22
CC[N@@H+](C)CCC(=O)N1CCCC2(CCCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030473005	1	60	0.0	-68.61	430.26	6.30	-62.31
CC[C@@H](C(=O)N1CCCC2(CCCCC2NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030473050	0	60	0.0	-64.12	414.31	5.81	-58.31
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC2(CCCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030473101	0	58	0.0	-59.61	404.29	5.49	-54.12
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC2(CCCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030473101	1	58	0.0	-69.55	415.54	5.93	-63.62
C[C@@H](C(=O)N1CCCC2(CCCCC2NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030473165	0	57	0.0	-71.60	406.66	5.36	-66.24
C[N@H+](CCO)CC(=O)N1CCCC2(CCCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030473177	1	58	0.0	-64.57	418.33	2.47	-62.10
C[N@@H+](CCO)CC(=O)N1CCCC2(CCCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030473177	1	58	0.0	-67.36	417.51	2.39	-64.97
CC1C[NH+](CC(=O)N2CCCC3(CCCCC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030473198	1	58	0.0	-66.59	420.93	6.06	-60.53
CC[N@H+](C)CC(=O)N1CCCC2(CCCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030473216	0	57	0.0	-64.16	407.99	5.72	-58.44
CC[N@@H+](C)CC(=O)N1CCCC2(CCCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030473216	1	57	0.0	-64.15	407.98	5.70	-58.45
CC(C[NH+](C)C)C(=O)N1CCCC2(CCCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030473253	0	60	0.0	-43.16	408.98	5.46	-37.70
C[NH+](C)C1(C(=O)N2CCCC3(CCCCC3NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030473256	0	58	0.0	-75.90	412.26	5.63	-70.27
C[C@H](C(=O)N1CCCC2(CCCCC2NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030473261	0	57	0.0	-65.76	406.48	5.39	-60.37
CC[N@@H+]1CCC1C(=O)N1CCCC2(CCCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030473264	1	58	0.0	-66.39	420.89	5.95	-60.44
CC[N@H+]1CCC1C(=O)N1CCCC2(CCCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030473264	1	58	0.0	-66.43	421.23	5.98	-60.45
NC1=CC=[NH+]C=C1C(=O)N1CCCC2(CCCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030473272	0	54	0.0	-74.89	402.53	2.97	-71.92
C[NH+](C)C(C)(C)C(=O)N1CCCC2(CCCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030473277	0	60	0.0	-69.45	409.76	5.48	-63.97
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC2(CCCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030473347	0	58	0.0	-69.15	413.32	5.52	-63.63
C[N@H+]1CCC[C@H]1C(=O)N1CCCC2(CCCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030473347	1	58	0.0	-71.62	408.62	5.54	-66.08
C[N@H+](CC(=O)N1CCCC2(CCCCC2NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030473395	0	58	0.0	-69.97	419.85	6.40	-63.57
C[N@@H+](CC(=O)N1CCCC2(CCCCC2NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030473395	1	58	0.0	-61.65	419.67	6.46	-55.19
C[NH+]1CC(CC(=O)N2CCCC3(CCCCC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030473426	0	58	0.0	-65.74	421.55	5.92	-59.82
C[NH+](C)CC(=O)N1CCCC2(CCCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030473431	0	54	0.0	-64.53	390.24	5.05	-59.48
C[C@@H](C(=O)N1CCCC2(CCCCC2NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030473436	0	57	0.0	-71.60	406.66	5.36	-66.24
CC1CC[N@@H+]1CC(=O)N1CCCC2(CCCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030473445	1	58	0.0	-64.42	420.97	6.06	-58.36
CC1CC[N@H+]1CC(=O)N1CCCC2(CCCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030473445	1	58	0.0	-69.58	416.38	5.53	-64.05
C[NH+](C)CC=CC(=O)N1CCCC2(CCCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030473446	0	58	0.0	-72.63	425.13	6.28	-66.35
CC[NH+](CC)CC(=O)N1CCCC2(CCCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030473455	0	60	0.0	-63.96	421.85	6.11	-57.85
O=C(C[NH+]1CCC1)N1CCCC2(CCCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030473458	1	55	0.0	-66.26	399.76	5.40	-60.86
CC(C(=O)N1CCCC2(CCCCC2NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030473484	1	58	0.0	-63.58	417.01	5.89	-57.69
CC1CN(C(=O)C2CCC[N@@H+]2C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030473689	0	51	0.0	-63.28	373.94	4.92	-58.36
CC1CN(C(=O)C2CCC[N@H+]2C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030473689	1	51	0.0	-41.15	360.10	4.11	-37.04
CC1CN(C(=O)C2C[N@H+](C)CCO2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030473713	1	52	0.0	-69.84	383.12	4.30	-65.54
CC1CN(C(=O)C2C[N@@H+](C)CCO2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030473713	1	52	0.0	-44.84	366.14	3.81	-41.03
CC(C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+]1CCCCCC1	REAL300030473874	0	60	0.0	-66.44	417.15	6.54	-59.90
CC(C)[N@@H+]1CCCCC1C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030473876	0	60	0.0	-46.67	405.97	5.82	-40.85
CC(C)[N@H+]1CCCCC1C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030473876	1	60	0.0	-57.45	412.87	6.27	-51.18
CC(C)[N@@H+]1CCCC1C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030473897	0	57	0.0	-41.45	380.61	5.46	-35.99
CC(C)[N@H+]1CCCC1C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030473897	1	57	0.0	-48.10	398.58	5.56	-42.54
CC1CN(C(=O)C2CC3CCCC[N@@H+]3C2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030473913	0	58	0.0	-50.43	400.70	5.95	-44.48
CC1CN(C(=O)C2CC3CCCC[N@H+]3C2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030473913	1	58	0.0	-72.50	413.49	6.57	-65.93
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030473934	1	55	0.0	-59.48	415.43	6.64	-52.84
CC1=[NH+]C=CN1CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030473964	1	49	0.0	-58.87	378.08	5.50	-53.37
CC(C[NH+]1CCOCC1)C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030473965	0	58	0.0	-68.85	422.20	4.71	-64.14
CC1CN(C(=O)CCC[NH+]2CCCCC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030473981	0	60	0.0	-66.08	435.32	7.22	-58.86
CC1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030473999	0	60	0.0	-63.35	411.44	6.40	-56.95
CC1CN(C(=O)C2C[NH+]3CCC2CC3)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030474007	0	55	0.0	-79.94	387.09	5.59	-74.35
CC1CN(C(=O)C2CCCC3CCC[N@@H+]32)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030474048	0	58	0.0	-58.68	402.46	6.17	-52.51
CC1CN(C(=O)C2CCCC3CCC[N@H+]32)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030474048	1	58	0.0	-52.23	404.39	6.25	-45.98
C[C@@H]1[C@H](C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC[N@@H+]1C	REAL300030474062	0	54	0.0	-62.60	382.52	4.78	-57.82
C[C@@H]1[C@H](C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC[N@H+]1C	REAL300030474062	1	54	0.0	-61.77	388.55	5.16	-56.61
CC[C@@H]1[C@@H](C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC[N@@H+]1C	REAL300030474066	0	57	0.0	-75.04	401.38	5.53	-69.51
CC[C@@H]1[C@@H](C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC[N@H+]1C	REAL300030474066	1	57	0.0	-69.23	406.68	5.91	-63.32
CC[N@@H+]1CCOC(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300030474076	1	55	0.0	-46.30	388.58	4.60	-41.70
CC[N@H+]1CCOC(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300030474076	1	55	0.0	-47.43	384.95	4.48	-42.95
CC[NH+](CC)CC(F)C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030474117	0	56	0.0	-76.76	405.35	5.45	-71.31
CC1CCC(C)[NH+]1CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030474180	0	57	0.0	-47.14	398.96	5.47	-41.67
CC1CN(C(=O)CCC[NH+]2CCCC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030474186	0	57	0.0	-65.98	419.65	6.52	-59.46
C#CC[NH+]1CCC(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC1	REAL300030474191	0	56	0.0	-72.52	414.19	6.58	-65.94
CC1CN(C(=O)CC[NH+]2CCCCC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030474192	0	57	0.0	-64.73	413.83	6.42	-58.31
CC[N@@H+]1CCCCC1C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030474198	0	57	0.0	-63.12	406.83	6.11	-57.01
CC[N@H+]1CCCCC1C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030474198	1	57	0.0	-45.24	400.14	5.83	-39.41
CC(C)C[N@@H+]1CCC(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300030474212	0	60	0.0	-72.99	432.53	6.95	-66.04
CC(C)C[N@H+]1CCC(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300030474212	1	60	0.0	-73.14	431.17	6.95	-66.19
CC1CN(C(=O)C2([NH+](C)C)CCC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030474216	0	54	0.0	-56.64	369.21	4.58	-52.06
CC(C)[N@@H+]1CCCC1CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030474218	0	60	0.0	-61.82	418.75	6.01	-55.81
CC(C)[N@H+]1CCCC1CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030474218	1	60	0.0	-69.37	420.88	6.27	-63.10
CC(C)[C@@H](C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300030474231	0	56	0.0	-57.84	392.61	5.85	-51.99
CC1CN(C(=O)C[N@H+](C)C2CCC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030474272	0	54	0.0	-61.85	395.92	5.92	-55.93
CC1CN(C(=O)C[N@@H+](C)C2CCC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030474272	1	54	0.0	-59.87	395.78	5.91	-53.96
CC(C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+]1C(C)CCC1C	REAL300030474331	0	60	0.0	-55.63	419.41	6.37	-49.26
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030474390	1	53	0.0	-66.02	396.53	5.83	-60.19
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030474390	1	53	0.0	-52.72	393.27	5.76	-46.96
CC1CN(C(=O)CCC2CCC[N@@H+]2C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030474396	0	57	0.0	-67.45	411.44	5.99	-61.46
CC1CN(C(=O)CCC2CCC[N@H+]2C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030474396	1	57	0.0	-57.34	411.16	6.20	-51.14
CC1CN(C(=O)C23CCC[NH+](CCC2)C3)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030474405	0	58	0.0	-59.77	386.92	5.15	-54.62
CC1CN(C(=O)C2CCC3CCCC[N@@H+]32)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030474408	0	58	0.0	-58.29	414.42	6.72	-51.57
CC1CN(C(=O)C2CCC3CCCC[N@H+]32)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030474408	1	58	0.0	-66.11	414.34	6.95	-59.16
CC1CN(C(=O)CCCC[NH+]2CCCC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030474424	0	60	0.0	-68.29	441.16	7.30	-60.99
CC1CN(C(=O)C2CC[NH+](C)CC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030474435	0	54	0.0	-74.20	389.51	5.44	-68.76
CC1CN(C(=O)C2=NOC(C[NH+](C)C)=C2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030474470	1	53	0.0	-83.23	393.95	5.04	-78.19
CC1=C(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C=CC2=C[NH+]=CN21	REAL300030474471	0	52	0.0	-64.98	395.85	7.24	-57.74
CC1CN(C(=O)C2CCCC[N@@H+]2C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030474502	0	54	0.0	-56.28	389.25	5.55	-50.73
CC1CN(C(=O)C2CCCC[N@H+]2C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030474502	1	54	0.0	-68.92	376.61	5.06	-63.86
CC(C)C[N@@H+]1CCCC1C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030474524	0	60	0.0	-64.45	420.82	7.15	-57.30
CC(C)C[N@H+]1CCCC1C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030474524	1	60	0.0	-64.61	425.77	6.68	-57.93
CC1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030474624	0	49	0.0	-70.13	383.50	7.41	-62.72
CC1=[NH+]C=CN1CCCC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030474632	1	55	0.0	-62.96	420.80	6.89	-56.07
CC1CN(C(=O)CC[NH+]2CCOCC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030474637	1	55	0.0	-76.77	406.74	4.17	-72.60
CC1=C[NH+]=CN1CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030474667	1	49	0.0	-66.56	379.51	6.27	-60.29
CC1CN(C(=O)C23CCC[NH+]2CCC3)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030474706	0	55	0.0	-51.73	378.01	4.85	-46.88
CC1CN(C(=O)C2CCCC([NH+](C)C)C2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030474730	0	60	0.0	-63.98	417.40	6.23	-57.75
CC1CN(C(=O)CC2CC[N@H+](C)C2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030474733	0	54	0.0	-74.32	396.21	5.88	-68.44
CC1CN(C(=O)CC2CC[N@@H+](C)C2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030474733	1	54	0.0	-75.77	396.48	5.88	-69.89
CC1CN(C(=O)C2=C[NH+]=CC=C2N(C)C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030474745	0	53	0.0	-71.98	390.13	3.89	-68.09
CCC(C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300030474750	0	53	0.0	-64.20	375.43	4.76	-59.44
CC1CN(C(=O)CC2([NH+](C)C)CCCC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030474762	0	60	0.0	-67.68	413.59	6.57	-61.11
CC1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030474803	1	49	0.0	-73.16	384.89	7.42	-65.74
CC1CN(C(=O)CCCC[NH+](C)C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030474857	0	56	0.0	-76.63	416.83	6.29	-70.34
CC(C)C(C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300030474877	0	56	0.0	-58.08	392.77	5.58	-52.50
CCC[N@H+](C)CCC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030474879	0	56	0.0	-65.83	411.60	5.94	-59.89
CCC[N@@H+](C)CCC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030474879	1	56	0.0	-65.88	411.42	5.96	-59.92
CCC[N@H+](C)CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030474884	0	53	0.0	-72.74	388.59	5.48	-67.26
CCC[N@@H+](C)CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030474884	1	53	0.0	-62.72	388.98	5.33	-57.39
CC1CN(C(=O)C23CC[N@H+](C2)CCC3)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030474907	0	55	0.0	-73.53	381.57	4.99	-68.54
CC1CN(C(=O)C23CC[N@@H+](C2)CCC3)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030474907	1	55	0.0	-42.07	371.58	4.37	-37.70
CC1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030474943	0	51	0.0	-68.29	368.61	4.84	-63.45
CC1CN(C(=O)[C@H]2CCC[N@H+]2C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030474943	1	51	0.0	-44.85	361.14	4.16	-40.69
CCCCCC[N@H+](C)CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030475000	0	62	0.0	-73.96	453.09	7.83	-66.13
CCCCCC[N@@H+](C)CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030475000	1	62	0.0	-63.70	453.47	7.67	-56.03
CC[NH+](CC)C(C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)C(C)C	REAL300030475004	0	62	0.0	-56.35	424.64	6.60	-49.75
CC[NH+](CC)CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030475013	0	53	0.0	-59.88	385.42	5.22	-54.66
CCC[N@@H+]1CCCC(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300030475045	0	60	0.0	-50.39	412.64	6.53	-43.86
CCC[N@H+]1CCCC(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300030475045	1	60	0.0	-64.17	427.11	7.18	-56.99
CC(C)[N@@H+]1CCOC(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300030475060	1	58	0.0	-77.64	416.69	5.46	-72.18
CC(C)[N@H+]1CCOC(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300030475060	1	58	0.0	-76.27	407.59	5.08	-71.19
CC1CC[NH+](CC(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC1	REAL300030475089	0	57	0.0	-62.78	412.55	6.41	-56.37
CC1CN(C(=O)COC2CC[NH+](C)CC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475115	0	58	0.0	-73.98	429.74	6.11	-67.87
CC1CN(C(=O)C2(C[NH+](C)C)CC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475126	0	54	0.0	-41.36	388.68	5.14	-36.22
CC(C)[NH+]1CCC(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC1	REAL300030475199	0	60	0.0	-70.87	423.83	6.62	-64.25
CC1CN(C(=O)C2CC[NH+](C)CC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475217	0	54	0.0	-74.20	389.51	5.44	-68.76
CC(C)[C@H](C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300030475235	0	56	0.0	-68.65	382.69	5.26	-63.39
CCC(C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](CC)CC	REAL300030475266	0	59	0.0	-55.98	411.72	6.06	-49.92
CC[N@H+](C)CCC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030475322	0	53	0.0	-65.29	389.84	5.33	-59.96
CC[N@@H+](C)CCC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030475322	1	53	0.0	-65.36	389.92	5.21	-60.15
CC1CCC[N@@H+]1CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030475378	0	54	0.0	-69.40	394.60	5.86	-63.54
CC1CCC[N@H+]1CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030475378	1	54	0.0	-60.31	388.42	5.45	-54.86
CC1CC[N@H+](CC(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300030475380	0	54	0.0	-71.59	396.22	5.88	-65.71
CC1CC[N@@H+](CC(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300030475380	1	54	0.0	-61.94	395.01	5.66	-56.28
CC1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475384	0	57	0.0	-69.97	416.83	6.34	-63.63
CC1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475384	1	57	0.0	-69.66	416.34	6.36	-63.30
CC1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475385	0	59	0.0	-62.92	419.85	6.48	-56.44
CC1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475385	1	59	0.0	-72.00	419.74	6.73	-65.27
CC[C@@H](C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300030475393	0	53	0.0	-56.49	377.54	4.99	-51.50
CC1CN(C(=O)CC2(O)CC[NH+](C)CC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475550	0	58	0.0	-59.49	417.32	4.50	-54.99
CC1CN(C(=O)C[NH+](C)C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475562	0	47	0.0	-63.38	349.82	3.93	-59.45
CC1CN(C(=O)C[NH+]2CCC(CO)CC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475566	0	58	0.0	-51.93	416.88	2.80	-49.13
CC1CN(C(=O)C[NH+]2CCCCCC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475567	0	57	0.0	-63.85	401.01	5.98	-57.87
CC1CN(C(=O)C[N+]2=CN(C)C=C2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475571	0	49	0.0	-49.77	374.25	7.15	-42.62
CC1CN(C(=O)C2CCC[N@H+](C)C2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475578	0	54	0.0	-65.07	389.70	5.25	-59.82
CC1CN(C(=O)C2CCC[N@@H+](C)C2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475578	1	54	0.0	-62.68	382.42	5.67	-57.01
CC1CN(C(=O)C2CCC[N@@H+]2C2CC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475583	0	55	0.0	-61.03	403.29	6.19	-54.84
CC1CN(C(=O)C2CCC[N@H+]2C2CC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475583	1	55	0.0	-66.46	398.83	6.38	-60.08
CC(C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+]1CCC1	REAL300030475610	1	51	0.0	-67.57	373.99	4.85	-62.72
CCC(CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)C[NH+](C)C	REAL300030475615	0	59	0.0	-66.09	420.85	6.44	-59.65
CC1CN(C(=O)C(C)(C)C[NH+](C)C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475622	0	56	0.0	-68.19	390.28	5.09	-63.10
CC1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475639	0	56	0.0	-62.51	394.48	6.19	-56.32
CC1CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475639	1	56	0.0	-39.12	388.45	5.56	-33.56
CC1CN(C(=O)C[NH+]2CCC(O)CC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475647	1	55	0.0	-66.77	402.63	2.57	-64.20
CC1CN(C(=O)C[N@H+](C)C2CC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475648	0	51	0.0	-59.95	379.38	5.33	-54.62
CC1CN(C(=O)C[N@@H+](C)C2CC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475648	1	51	0.0	-48.81	372.30	5.05	-43.76
CC(C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)N1CC[NH+](C)CC1	REAL300030475649	1	59	0.0	-70.91	420.95	3.74	-67.17
CC1CN(C(=O)CC2C[NH+](C)C2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475667	0	51	0.0	-70.61	382.85	4.96	-65.65
CC1CN(C(=O)C2CC[N@@H+]2C2CCCC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475671	0	58	0.0	-51.09	414.80	6.53	-44.56
CC1CN(C(=O)C2CC[N@H+]2C2CCCC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475671	1	58	0.0	-65.96	419.97	6.65	-59.31
CC1CN(C(=O)C2CC[N@@H+]2C(C)(C)C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475679	0	57	0.0	-50.41	404.62	5.34	-45.07
CC1CN(C(=O)C2CC[N@H+]2C(C)(C)C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475679	1	57	0.0	-70.75	409.33	5.66	-65.09
C[C@@H](C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300030475690	0	50	0.0	-71.25	364.23	4.41	-66.84
CCC1CCC[N@H+](CC(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300030475729	0	60	0.0	-64.78	423.17	6.58	-58.20
CCC1CCC[N@@H+](CC(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300030475729	1	60	0.0	-62.54	423.71	7.15	-55.39
CC1CN(C(=O)C2=CC=C(C[NH+](C)C)N2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475736	0	55	0.0	-85.12	405.34	5.78	-79.34
CC1CN(C(=O)CN2C=CSC2=[NH2+])CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475777	0	47	0.0	-55.18	376.81	4.11	-51.07
CC1CN(C(=O)CC[N@H+](C)CCO)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475787	0	54	0.0	-64.16	400.27	2.00	-62.16
CC1CN(C(=O)CC[N@@H+](C)CCO)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475787	1	54	0.0	-63.99	400.40	1.97	-62.02
C[C@@H](C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300030475788	0	50	0.0	-71.25	364.23	4.41	-66.84
CC1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475792	0	54	0.0	-66.89	387.53	5.70	-61.19
CC1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475792	1	54	0.0	-48.22	371.80	4.72	-43.50
CC1CN2CC[N@@H+]1CC2C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030475800	0	57	0.0	-65.58	397.39	2.48	-63.10
CC1CN2CC[N@H+]1CC2C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030475800	1	57	0.0	-77.46	399.41	2.69	-74.77
CC1CN(C(=O)CC2=CC3=C[NH+]=CN3C=C2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475842	0	52	0.0	-73.35	405.87	8.33	-65.02
CC1CN(C(=O)C[N@H+](C)C2CCSC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475865	0	55	0.0	-64.85	409.24	6.15	-58.70
CC1CN(C(=O)C[N@@H+](C)C2CCSC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475865	1	55	0.0	-79.02	410.96	6.34	-72.68
CC1CN(C(=O)C[NH+]2CCC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475866	1	48	0.0	-72.03	361.68	4.54	-67.49
CC1CN(C(=O)C=C2CC[N@H+](C)C2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475896	0	52	0.0	-77.68	391.25	5.73	-71.95
CC1CN(C(=O)C=C2CC[N@@H+](C)C2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475896	1	52	0.0	-76.24	387.99	5.49	-70.75
CC1CN(C(=O)COCC[NH+](C)C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475929	0	54	0.0	-63.70	405.70	5.06	-58.64
CCCCC[N@H+](C)CCC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030475935	0	62	0.0	-66.58	454.60	7.50	-59.08
CCCCC[N@@H+](C)CCC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030475935	1	62	0.0	-66.64	454.41	7.52	-59.12
CC1CN(C(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475944	0	58	0.0	-69.52	424.50	5.86	-63.66
C=CCC(C)(C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300030475951	0	57	0.0	-61.22	393.09	5.31	-55.91
CC1CN(C(=O)C(O)CC[S+](C)C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475956	0	53	0.0	-80.84	409.95	3.34	-77.50
CC1CN(C(=O)C2(C)CC(O)C[N@@H+]2C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475981	0	55	0.0	-70.41	389.95	1.56	-68.85
CC1CN(C(=O)C2CN(C)CC[N@H+](C)C2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475991	0	59	0.0	-64.06	415.67	3.91	-60.15
CC1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475991	1	59	0.0	-64.06	415.67	3.91	-60.15
CC(C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[N@@H+]1CCCC(O)C1	REAL300030475992	0	58	0.0	-58.36	419.51	2.88	-55.48
CC1CN(C(=O)CC2(O)CCC[N@H+](C)C2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476010	0	58	0.0	-55.38	410.31	4.29	-51.09
CC1CN(C(=O)CC2(O)CCC[N@@H+](C)C2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476010	1	58	0.0	-55.38	410.31	4.29	-51.09
CC1CN(CC(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300030476013	0	51	0.0	-64.04	379.88	5.09	-58.95
CC1C[NH+](CC(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300030476013	1	51	0.0	-64.04	379.88	5.09	-58.95
CC1CN(C(=O)CN(C)CCO)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476039	0	51	0.0	-65.46	377.77	1.36	-64.10
CC1CN(C(=O)C[N@H+](C)CCO)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476039	1	51	0.0	-72.28	377.27	1.50	-70.78
CC1CN(C(=O)C[N@@H+](C)CCO)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476039	1	51	0.0	-72.28	377.27	1.50	-70.78
CC1CN(C(=O)C2C[N@@H+]3CCN2CCC3)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476061	0	57	0.0	-59.08	395.36	3.08	-56.00
CC1CN(C(=O)C2C[N@H+]3CCN2CCC3)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476061	1	57	0.0	-59.08	395.36	3.08	-56.00
CC[N@@H+]1CCCC(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300030476067	0	57	0.0	-58.20	401.76	6.38	-51.82
CC[N@H+]1CCCC(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300030476067	1	57	0.0	-58.20	401.76	6.38	-51.82
CC(CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)C[NH+](C)C	REAL300030476069	0	56	0.0	-73.68	406.73	5.93	-67.75
CC[N@H+](C)CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030476080	0	50	0.0	-62.60	367.41	4.60	-58.00
CC1CN(C(=O)C23CCC[N@@H+]2CCCC3)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476104	0	58	0.0	-58.55	386.67	5.61	-52.94
CC1CN(C(=O)C23CCC[N@H+]2CCCC3)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476104	1	58	0.0	-58.55	386.67	5.61	-52.94
CC1CN(C(=O)C23CCC[N@@H+]2CC=CC3)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476109	0	56	0.0	-60.64	390.01	5.66	-54.98
CC1CN(C(=O)C23CCC[N@H+]2CC=CC3)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476109	1	56	0.0	-60.64	390.01	5.66	-54.98
CC[N@H+](CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)C1CC1	REAL300030476129	0	54	0.0	-48.83	389.20	5.58	-43.25
CC[NH+](CC)CCC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030476145	0	56	0.0	-65.15	407.37	5.86	-59.29
CC1CN(C(=O)CN2CC(C)(C)C2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476168	0	54	0.0	-63.03	400.06	5.63	-57.40
CC1CN(C(=O)C[NH+]2CC(C)(C)C2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476168	1	54	0.0	-63.03	400.06	5.63	-57.40
CC1CN(C(=O)C[N@@H+]2CCC(C)(O)C2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476193	0	55	0.0	-72.34	406.48	2.63	-69.71
CC1CN(C(=O)C=CC[NH+](C)C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476200	0	51	0.0	-69.68	385.33	5.09	-64.59
CC(OCC[NH+](C)C)C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030476221	0	57	0.0	-69.23	420.45	5.44	-63.79
CC1CN(C(=O)CCOCC[NH+](C)C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476229	0	57	0.0	-72.52	428.29	4.94	-67.58
COCCN(C)CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030476230	0	54	0.0	-71.94	399.51	3.90	-68.04
COCC[N@H+](C)CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030476230	1	54	0.0	-65.52	400.02	3.76	-61.76
COCC[N@@H+](C)CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030476230	1	54	0.0	-65.52	400.02	3.76	-61.76
CC1CN(C(=O)C2([NH+](C)C)CCCC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476263	0	57	0.0	-56.34	374.68	4.92	-51.42
CC(CCC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300030476266	0	56	0.0	-65.42	403.46	5.64	-59.78
CCN1CCC1C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030476273	0	51	0.0	-64.76	370.60	4.47	-60.29
CC[N@@H+]1CCC1C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030476273	1	51	0.0	-62.80	379.76	4.99	-57.81
CC[N@H+]1CCC1C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030476273	1	51	0.0	-62.80	379.76	4.99	-57.81
CC(C)[N@@H+]1CCCC(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300030476283	0	60	0.0	-54.30	414.62	6.07	-48.23
CC(C)[N@H+]1CCCC(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300030476283	1	60	0.0	-54.30	414.62	6.07	-48.23
CC1CN(C(=O)C[N@@H+]2CCCC2CO)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476296	0	55	0.0	-62.77	395.51	2.60	-60.17
CC1CN(C(=O)C2CC3CCCC[N@@H+]3C2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476318	0	58	0.0	-72.50	413.49	6.57	-65.93
CC1CN(C(=O)C2CC3CCCC[N@H+]3C2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476318	1	58	0.0	-72.50	413.49	6.57	-65.93
CC1CN(C(=O)C2(C)CC[NH+](C)CC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476324	0	57	0.0	-46.65	388.59	5.10	-41.55
C=CCC(C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300030476352	0	54	0.0	-62.68	387.78	5.22	-57.46
CC1CN(C(=O)C2CC(C)(C)C[N@@H+]2C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476362	0	57	0.0	-67.42	414.58	6.02	-61.40
CC1CN(C(=O)CCCCC[NH+](C)C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476366	0	59	0.0	-76.54	438.33	7.07	-69.47
CC1C[N@@H+]2CCN1C(C(=O)N1CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C1)C2	REAL300030476400	0	57	0.0	-43.43	392.98	2.30	-41.13
CCCC(C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+](C)C	REAL300030476401	0	56	0.0	-65.76	396.92	5.53	-60.23
CC1CN(C(=O)C(C)(C)[NH+](C)C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476405	0	53	0.0	-58.68	361.47	4.59	-54.09
CC1CN(C(=O)C2CCCC[N@@H+]2C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476443	0	54	0.0	-68.92	376.61	5.06	-63.86
CC1CN(C(=O)CC2=CC[N@H+](C)CC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476476	0	55	0.0	-70.20	410.68	6.48	-63.72
CC1CN(C(=O)CC2=CC[N@@H+](C)CC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476476	1	55	0.0	-70.20	410.68	6.48	-63.72
CC1CN(C(=O)CC2([NH+]3CCCC3)CC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476485	0	58	0.0	-62.00	414.77	6.87	-55.13
CC1CN(C(=O)C2=CC=C(CN(C)C)O2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476529	0	54	0.0	-83.44	399.36	5.42	-78.02
CC1CN(C(=O)C2=CC=C(C[NH+](C)C)O2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476529	1	54	0.0	-83.44	399.36	5.42	-78.02
CC1CN(C(=O)C=CC[NH+]2CCCC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476545	0	55	0.0	-69.47	410.41	6.27	-63.20
CC1CN(C(=O)C2CC[NH+](C3CC3)CC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476566	0	58	0.0	-71.19	414.34	6.64	-64.55
CC1CN(C(=O)CC[NH+]2CCCC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476587	0	54	0.0	-65.28	398.15	5.71	-59.57
CC1CN(C(=O)C23CC(C2)C[N@@H+]3C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476631	0	52	0.0	-68.39	363.11	5.16	-63.23
CC1CN(C(=O)C[N@@H+]2CC3CCC2C3)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476643	0	55	0.0	-68.19	398.09	6.22	-61.97
CC1CN(C(=O)C[N@H+]2CC3CCC2C3)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476643	1	55	0.0	-68.19	398.09	6.22	-61.97
CC1CN(C(=O)C=C2C[NH+]3CCC2CC3)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476684	0	56	0.0	-63.38	404.51	6.43	-56.95
CC1CN(C(=O)CN2CC3C=CC2C3)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476694	0	53	0.0	-70.07	390.70	6.02	-64.05
CC1CN(C(=O)C[N@@H+]2CC3C=CC2C3)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476694	1	53	0.0	-57.98	388.66	5.93	-52.05
CC1CN(C(=O)C[N@H+]2CC3C=CC2C3)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476694	1	53	0.0	-57.98	388.66	5.93	-52.05
CC(C[NH+](C)C)C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030476742	0	53	0.0	-68.12	384.59	4.97	-63.15
CC1CN(C(=O)CC2CCCC[N@@H+]2C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476812	0	57	0.0	-77.12	410.63	6.38	-70.74
CC1CN(C(=O)CC2CCCC[N@H+]2C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476812	1	57	0.0	-77.12	410.63	6.38	-70.74
CC1=C2C=C(C(=O)N3CC(C)CN(C(=O)C4=CC(=O)[N-]O4)C(C)C3)C=CN2C=N1	REAL300030476828	0	52	0.0	-71.29	405.51	8.03	-63.26
CC1=C2C=C(C(=O)N3CC(C)CN(C(=O)C4=CC(=O)[N-]O4)C(C)C3)C=CN2C=[NH+]1	REAL300030476828	1	52	0.0	-71.29	405.51	8.03	-63.26
CC(C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)N1CC(C)C1	REAL300030476829	0	54	0.0	-50.13	387.81	5.04	-45.09
CC(C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+]1CC(C)C1	REAL300030476829	1	54	0.0	-50.13	387.81	5.04	-45.09
CC1CCN1CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030476832	0	51	0.0	-60.82	375.56	4.76	-56.06
CC1CC[N@@H+]1CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030476832	1	51	0.0	-51.31	374.41	4.72	-46.59
CC1CC[N@H+]1CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030476832	1	51	0.0	-51.31	374.41	4.72	-46.59
CC1CN(C(=O)CC(O)C[NH+](C)C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476836	0	54	0.0	-70.31	402.44	3.02	-67.29
CC1C[N@H+](C)CC(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)O1	REAL300030476863	1	55	0.0	-83.59	395.91	4.83	-78.76
CC1C[N@@H+](C)CC(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)O1	REAL300030476863	1	55	0.0	-76.36	398.05	5.19	-71.17
CC1CN(C(=O)CC[NH+]2CCC(O)CC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476872	0	58	0.0	-68.00	425.06	3.07	-64.93
CCC[N@@H+]1CCCCC1C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030476874	0	60	0.0	-46.89	411.46	6.09	-40.80
CCC[N@H+]1CCCCC1C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030476874	1	60	0.0	-56.51	428.71	6.85	-49.66
CC1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476944	0	54	0.0	-72.47	399.05	5.80	-66.67
CC(CC[NH+](C)C)C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030476952	0	56	0.0	-71.60	405.97	5.55	-66.05
CC1CN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476972	0	58	0.0	-61.35	419.98	3.32	-58.03
CC1CN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476972	1	58	0.0	-58.83	420.39	3.32	-55.51
C#CC[N@H+]1CCCCC1C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030476978	1	56	0.0	-46.72	408.43	6.38	-40.34
C#CC[N@@H+]1CCCCC1C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030476978	1	56	0.0	-58.02	403.87	6.20	-51.82
CC1CN(C(=O)CN2CC[NH+](C)CC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476981	1	56	0.0	-71.13	410.60	3.63	-67.50
CC[NH+]1CCN(CC(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC1	REAL300030476990	0	59	0.0	-60.87	420.08	3.83	-57.04
CC1CN(C(=O)CSC(N)=[NH2+])CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030477014	0	45	0.0	-65.83	358.35	0.90	-64.93
CC[N@@H+]1CCOCC1CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030477049	0	58	0.0	-69.17	417.63	4.45	-64.72
CC1CN(C(=O)C2CCC([NH+](C)C)CC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030477064	0	60	0.0	-75.43	423.81	6.59	-68.84
CC1CN(C(=O)C2(CC[NH+](C)C)CC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030477065	0	57	0.0	-43.43	416.18	6.06	-37.37
CC1CN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030477067	0	60	0.0	-73.14	417.57	6.32	-66.82
CC1CN(C(=O)CC2CC=CC[N@@H+]2C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030477068	0	55	0.0	-75.48	401.08	6.29	-69.19
CC1CN(C(=O)CC2CC=CC[N@H+]2C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030477068	1	55	0.0	-75.48	401.08	6.29	-69.19
C[C@@H](OCC[NH+](C)C)C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300030477089	0	57	0.0	-72.39	421.93	5.65	-66.74
CC1CN(C(=O)C2CC3CCC(C2)[NH+]3C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030477115	0	58	0.0	-54.72	388.35	5.35	-49.37
CC(C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)C(C)C1)[NH+]1CCSCC1	REAL300030477221	1	55	0.0	-62.23	407.36	5.96	-56.27
CCC1C[NH+](CC(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300030477223	1	54	0.0	-51.21	395.65	5.46	-45.75
CC1CN(C(=O)C2([NH+]3CCCC3)CCC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030477225	0	58	0.0	-68.78	400.14	6.03	-62.75
CC1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030477234	1	51	0.0	-53.79	368.27	4.57	-49.22
CC1CN(C(=O)CC[N@H+]2CCC(F)C2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030477241	1	54	0.0	-66.47	403.92	5.92	-60.55
COC1C[N@@H+](C)C(C)(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C1	REAL300030477249	1	58	0.0	-57.02	395.27	3.67	-53.35
CC1CN(C(=O)CC[NH+]2CCCCCC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030477257	0	60	0.0	-68.04	423.82	6.61	-61.43
CC1CN(C(=O)C[NH+]2CCCCC2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030477259	0	54	0.0	-48.96	384.75	5.50	-43.46
CC1C(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC[N@@H+]1C	REAL300030477269	0	54	0.0	-68.51	391.90	5.25	-63.26
CC1C(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)CC[N@H+]1C	REAL300030477269	1	54	0.0	-72.95	385.43	5.46	-67.49
CC1CN(C(=O)CCC2CCCC[N@@H+]2C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030477271	0	60	0.0	-57.94	417.69	6.45	-51.49
CC1CN(C(=O)CCC2CCCC[N@H+]2C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030477271	1	60	0.0	-59.82	425.65	6.67	-53.15
CC1CN(C(=O)C2CC[N@@H+]3CCOCC23)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030477299	0	56	0.0	-50.37	396.67	3.70	-46.67
CC1CN(C(=O)C2CC[N@H+]3CCOCC23)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030477299	1	56	0.0	-59.15	399.32	3.79	-55.36
CC1=[NH+]C=C2C=CC(C(=O)N3CC(C)CN(C(=O)C4=CC(=O)[N-]O4)C(C)C3)=CN21	REAL300030477304	0	52	0.0	-71.51	389.62	6.59	-64.92
CC1CN(C(=O)CC2COCCN2C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030477318	0	55	0.0	-78.42	400.49	4.04	-74.38
CC1CN(C(=O)CC2COCC[N@@H+]2C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030477318	1	55	0.0	-52.38	392.73	3.78	-48.60
CC1CN(C(=O)CC2COCC[N@H+]2C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030477318	1	55	0.0	-78.42	400.49	4.04	-74.38
CC1=C(C)[NH+]=C(CCC(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)N1	REAL300030477326	1	55	0.0	-60.15	419.98	5.39	-54.76
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2CCC[N@H+]2C)C1	REAL300030477496	1	51	0.0	-58.46	365.76	4.45	-54.01
CC1=[NH+]C=CN1CCCC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030477680	1	55	0.0	-63.57	416.34	6.77	-56.80
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CC[NH+]2CCOCC2)C1	REAL300030477685	1	55	0.0	-69.95	398.06	3.72	-66.23
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300030477710	1	49	0.0	-71.40	370.08	6.96	-64.44
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2CCCC([NH+](C)C)C2)C1	REAL300030477756	0	60	0.0	-61.60	410.16	6.09	-55.51
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CC2CC[N@H+](C)C2)C1	REAL300030477759	0	54	0.0	-71.20	393.20	5.58	-65.62
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CC2CC[N@@H+](C)C2)C1	REAL300030477759	1	54	0.0	-64.07	392.01	5.49	-58.58
CCC(C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300030477774	0	53	0.0	-59.88	375.60	4.90	-54.98
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CCCC[NH+](C)C)C1	REAL300030477830	0	56	0.0	-70.54	412.70	6.11	-64.43
CCC[N@H+](C)CCC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030477850	0	56	0.0	-66.88	402.23	5.55	-61.33
CCC[N@@H+](C)CCC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030477850	1	56	0.0	-64.69	406.69	5.90	-58.79
CCC[N@H+](C)CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030477854	0	53	0.0	-63.38	386.11	5.36	-58.02
CCC[N@@H+](C)CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030477854	1	53	0.0	-63.10	386.06	5.37	-57.73
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300030477872	0	55	0.0	-65.50	374.87	4.56	-60.94
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300030477872	1	55	0.0	-63.79	374.44	4.60	-59.19
CCCCCC[N@H+](C)CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030477897	0	62	0.0	-64.44	450.54	7.72	-56.72
CCCCCC[N@@H+](C)CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030477897	1	62	0.0	-64.03	450.61	7.71	-56.32
CC1CC[NH+](CC(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300030477930	0	57	0.0	-63.12	410.07	6.43	-56.69
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)COC2CC[NH+](C)CC2)C1	REAL300030477951	0	58	0.0	-73.57	424.64	5.91	-67.66
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300030477986	0	58	0.0	-68.97	410.08	6.62	-62.35
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300030477986	1	58	0.0	-69.37	412.64	6.55	-62.82
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2(C[NH+](C)C)CC2)C1	REAL300030477996	0	54	0.0	-68.43	394.57	5.57	-62.86
CC(C)[NH+]1CCC(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300030478006	0	60	0.0	-67.92	416.47	6.28	-61.64
CC[N@H+](C)CCC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030478025	0	53	0.0	-63.55	385.18	5.14	-58.41
CC[N@@H+](C)CCC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030478025	1	53	0.0	-66.97	382.89	4.90	-62.07
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300030478053	0	55	0.0	-60.80	380.89	5.31	-55.49
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2CC[NH+](C)CC2)C1	REAL300030478117	0	54	0.0	-73.88	387.91	5.40	-68.48
CC[NH+](CC)CC(F)C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030478199	0	56	0.0	-59.78	409.76	5.95	-53.83
CC(C)C[N@@H+]1CCC(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030478223	0	60	0.0	-68.35	423.79	6.45	-61.90
CC(C)C[N@H+]1CCC(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030478223	1	60	0.0	-71.60	425.88	6.93	-64.67
CCC(C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](CC)CC	REAL300030478248	0	59	0.0	-66.23	397.48	6.01	-60.22
CC1CCC[N@@H+]1CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030478264	0	54	0.0	-60.23	383.31	5.22	-55.01
CC1CCC[N@H+]1CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030478264	1	54	0.0	-68.21	397.44	5.90	-62.31
CC(C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1CCCCCC1	REAL300030478312	0	60	0.0	-61.09	413.40	6.20	-54.89
CC(C)[N@@H+]1CCCC1C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030478331	0	57	0.0	-60.16	389.71	5.21	-54.95
CC(C)[N@H+]1CCCC1C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030478331	1	57	0.0	-66.57	401.93	6.06	-60.51
CC(C)[N@@H+]1CCCC1CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030478336	0	60	0.0	-63.71	422.63	6.24	-57.47
CC(C)[N@H+]1CCCC1CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030478336	1	60	0.0	-62.84	415.35	6.17	-56.67
CC1CC[N@H+](CC(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030478363	0	54	0.0	-64.68	392.54	5.67	-59.01
CC1CC[N@@H+](CC(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030478363	1	54	0.0	-60.36	390.47	5.56	-54.80
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C[N@@H+]2CCC(C)(C)C2)C1	REAL300030478366	0	57	0.0	-61.43	409.65	6.12	-55.31
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C[N@H+]2CCC(C)(C)C2)C1	REAL300030478366	1	57	0.0	-69.96	417.30	6.39	-63.57
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C[N@H+](C)CC(C)(C)C)C1	REAL300030478367	0	59	0.0	-61.47	418.29	6.55	-54.92
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C[N@@H+](C)CC(C)(C)C)C1	REAL300030478367	1	59	0.0	-63.07	418.33	6.52	-56.55
CC[C@@H](C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300030478374	0	53	0.0	-69.82	373.53	4.94	-64.88
CC1=[NH+]C=CN1CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030478549	1	49	0.0	-64.33	376.89	5.55	-58.78
CC(C[NH+]1CCOCC1)C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030478550	1	58	0.0	-70.00	408.46	4.06	-65.94
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CCC[NH+]2CCCCC2)C1	REAL300030478563	0	60	0.0	-66.81	430.87	7.11	-59.70
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=NOC(C[NH+](C)C)=C2)C1	REAL300030478573	1	53	0.0	-79.76	394.83	4.98	-74.78
CC1=C(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)C=CC2=C[NH+]=CN21	REAL300030478574	0	52	0.0	-74.70	392.07	7.11	-67.59
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030478606	1	55	0.0	-61.91	413.12	6.65	-55.26
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300030478634	0	58	0.0	-55.34	409.10	6.61	-48.73
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300030478634	1	58	0.0	-63.05	403.87	6.21	-56.84
CC[N@@H+]1CCOC(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030478648	1	55	0.0	-48.48	385.14	4.37	-44.11
CC[N@H+]1CCOC(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030478648	1	55	0.0	-63.48	401.50	4.96	-58.52
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300030478686	0	49	0.0	-77.64	375.16	6.88	-70.76
CC1=C[NH+]=CN1CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030478691	1	49	0.0	-62.24	376.16	6.24	-56.00
C[C@@H]1[C@H](C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)CC[N@@H+]1C	REAL300030478703	0	54	0.0	-73.07	375.82	4.46	-68.61
C[C@@H]1[C@H](C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)CC[N@H+]1C	REAL300030478703	1	54	0.0	-78.25	387.90	5.16	-73.09
CC[C@@H]1[C@@H](C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)CC[N@@H+]1C	REAL300030478706	0	57	0.0	-64.99	395.41	5.28	-59.71
CC[C@@H]1[C@@H](C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)CC[N@H+]1C	REAL300030478706	1	57	0.0	-71.94	408.67	6.13	-65.81
CC1CCC(C)[NH+]1CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030478714	0	57	0.0	-57.91	402.22	5.78	-52.13
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CCC[NH+]2CCCC2)C1	REAL300030478720	0	57	0.0	-66.74	415.20	6.41	-60.33
C#CC[NH+]1CCC(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300030478725	0	56	0.0	-69.47	410.97	6.52	-62.95
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CC[NH+]2CCCCC2)C1	REAL300030478726	0	57	0.0	-64.32	410.88	6.45	-57.87
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CC2([NH+](C)C)CCCC2)C1	REAL300030478761	0	60	0.0	-64.97	407.02	6.35	-58.62
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C[N@H+](C)C2CCC2)C1	REAL300030478876	0	54	0.0	-68.50	398.41	6.12	-62.38
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C[N@@H+](C)C2CCC2)C1	REAL300030478876	1	54	0.0	-61.65	391.61	5.81	-55.84
CC(C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1C(C)CCC1C	REAL300030478893	0	60	0.0	-62.07	413.22	6.01	-56.06
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CCCC[NH+]2CCCC2)C1	REAL300030478905	0	60	0.0	-68.60	436.70	7.19	-61.41
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2CC[NH+](C)CC2)C1	REAL300030478916	0	54	0.0	-73.88	387.91	5.40	-68.48
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)[C@H]2CCC[N@@H+]2C)C1	REAL300030478947	0	51	0.0	-64.22	363.99	4.47	-59.75
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)[C@H]2CCC[N@H+]2C)C1	REAL300030478947	1	51	0.0	-69.88	362.78	4.44	-65.44
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CCC2CCC[N@@H+]2C)C1	REAL300030478972	0	57	0.0	-68.05	402.67	5.62	-62.43
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CCC2CCC[N@H+]2C)C1	REAL300030478972	1	57	0.0	-71.41	408.17	6.08	-65.33
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300030478981	0	58	0.0	-45.62	414.37	6.82	-38.80
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300030478981	1	58	0.0	-61.50	407.13	6.53	-54.97
CCC[N@@H+]1CCCC(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030479037	0	60	0.0	-60.72	415.47	6.81	-53.91
CCC[N@H+]1CCCC(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030479037	1	60	0.0	-69.71	424.04	6.60	-63.11
CC(C)[N@@H+]1CCOC(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030479048	1	58	0.0	-74.14	413.40	5.18	-68.96
CC(C)[N@H+]1CCOC(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030479048	1	58	0.0	-66.35	397.15	4.83	-61.52
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300030479097	0	58	0.0	-65.58	418.78	3.00	-62.58
CC1C(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)CC[N@@H+]1C	REAL300030479137	0	54	0.0	-71.26	382.10	5.19	-66.07
CC1C(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)CC[N@H+]1C	REAL300030479137	1	54	0.0	-65.25	382.82	4.88	-60.37
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CCC2CCCC[N@@H+]2C)C1	REAL300030479139	0	60	0.0	-72.81	416.64	6.42	-66.39
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CCC2CCCC[N@H+]2C)C1	REAL300030479139	1	60	0.0	-73.00	433.18	7.12	-65.88
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC3=C(CCC3)[NH+]=C2N)C1	REAL300030479165	1	54	0.0	-61.32	404.39	4.77	-56.55
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2CC[N@@H+]2C(C)(C)C)C1	REAL300030479209	0	57	0.0	-61.60	383.45	4.77	-56.83
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2CC[N@H+]2C(C)(C)C)C1	REAL300030479209	1	57	0.0	-60.74	404.42	5.41	-55.33
C[C@@H](C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300030479226	0	50	0.0	-69.69	358.60	4.29	-65.40
C=CCC(C)(C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300030479243	0	57	0.0	-60.91	384.97	5.13	-55.78
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CC[NH+]2CCCC2)C1	REAL300030479265	0	54	0.0	-65.52	387.44	5.23	-60.29
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C[N@H+](C)CCO)C1	REAL300030479274	1	51	0.0	-62.27	374.97	1.39	-60.88
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C[N@@H+](C)CCO)C1	REAL300030479274	1	51	0.0	-66.41	376.45	1.38	-65.03
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300030479307	0	57	0.0	-58.67	384.02	2.64	-56.03
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300030479307	1	57	0.0	-61.59	390.45	2.98	-58.61
CC(C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1CCSCC1	REAL300030479325	1	55	0.0	-65.43	397.76	5.61	-59.82
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CC2=CC[N@H+](C)CC2)C1	REAL300030479353	0	55	0.0	-66.48	406.04	6.32	-60.16
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CC2=CC[N@@H+](C)CC2)C1	REAL300030479353	1	55	0.0	-64.62	404.39	6.26	-58.36
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C(O)CC[S+](C)C)C1	REAL300030479365	0	53	0.0	-58.52	402.14	3.02	-55.50
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2CN(C)CC[N@H+](C)C2)C1	REAL300030479390	0	59	0.0	-68.79	412.74	3.68	-65.11
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2CN(C)CC[N@@H+](C)C2)C1	REAL300030479390	1	59	0.0	-58.18	410.39	3.10	-55.08
CC(C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C)[N@@H+]1CCCC(O)C1	REAL300030479391	0	58	0.0	-57.13	417.18	2.78	-54.35
CC(C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C)[N@H+]1CCCC(O)C1	REAL300030479391	1	58	0.0	-68.56	417.31	3.09	-65.47
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CC2(O)CCC[N@H+](C)C2)C1	REAL300030479422	0	58	0.0	-65.45	402.91	4.03	-61.42
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CC2(O)CCC[N@@H+](C)C2)C1	REAL300030479422	1	58	0.0	-67.27	408.60	4.04	-63.23
CC1C[NH+](CC(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030479426	1	51	0.0	-65.33	378.64	5.04	-60.29
CC[N@@H+]1CCCC(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030479431	0	57	0.0	-63.99	405.68	6.01	-57.98
CC[N@H+]1CCCC(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030479431	1	57	0.0	-49.96	391.90	5.78	-44.18
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CC2=CC=C[NH+]=C2N)C1	REAL300030479437	0	50	0.0	-65.90	381.71	3.78	-62.12
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300030479447	0	55	0.0	-70.42	392.06	5.87	-64.55
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300030479447	1	55	0.0	-53.88	377.35	4.98	-48.90
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C=CC[NH+]2CCCC2)C1	REAL300030479485	0	55	0.0	-71.05	408.58	6.37	-64.68
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300030479504	0	58	0.0	-71.15	410.69	6.51	-64.64
CC[N@H+](C)CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030479536	0	50	0.0	-64.94	365.19	4.60	-60.34
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CN2CC3C=CC2C3)C1	REAL300030479580	0	53	0.0	-63.02	386.00	5.85	-57.17
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300030479580	1	53	0.0	-69.33	391.38	6.12	-63.21
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300030479580	1	53	0.0	-69.33	391.38	6.12	-63.21
CC(OCC[NH+](C)C)C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030479697	0	57	0.0	-59.59	417.23	5.33	-54.26
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CCOCC[NH+](C)C)C1	REAL300030479706	0	57	0.0	-70.39	421.77	4.69	-65.70
COCCN(C)CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030479708	0	54	0.0	-65.32	397.17	3.81	-61.51
COCC[N@H+](C)CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030479708	1	54	0.0	-62.17	397.22	3.79	-58.38
COCC[N@@H+](C)CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030479708	1	54	0.0	-62.17	397.22	3.79	-58.38
CC(CCC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300030479713	0	56	0.0	-67.64	402.47	5.60	-62.04
CC[N@H+](CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C)C1CC1	REAL300030479735	0	54	0.0	-69.42	392.63	6.02	-63.40
CC1C[N@@H+]2CCN1C(C(=O)N1CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC1C)C2	REAL300030479745	0	57	0.0	-79.77	390.18	2.21	-77.56
CC1=NC(N)=CC=C1C=CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030479771	0	54	0.0	-64.13	409.27	4.55	-59.58
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030479771	1	54	0.0	-64.13	409.27	4.55	-59.58
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300030479777	0	55	0.0	-62.60	387.33	5.66	-56.94
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300030479777	1	55	0.0	-62.60	387.33	5.66	-56.94
CC(C[NH+](C)C)C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030479794	0	53	0.0	-69.00	375.74	4.76	-64.24
CCN1CCC1C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030479834	0	51	0.0	-59.99	364.10	4.18	-55.81
CC[N@@H+]1CCC1C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030479834	1	51	0.0	-68.12	377.23	4.78	-63.34
CC[N@H+]1CCC1C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030479834	1	51	0.0	-68.12	377.23	4.78	-63.34
CC(C)[N@@H+]1CCCC(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030479844	0	60	0.0	-58.64	414.05	6.71	-51.93
CC(C)[N@H+]1CCCC(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030479844	1	60	0.0	-58.64	414.05	6.71	-51.93
CCC(C)(C)[NH2+]C(C)C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030479855	0	59	0.0	-60.47	407.82	4.25	-56.22
C#CC[N@H+]1CCCCC1C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030479893	1	56	0.0	-68.32	402.79	6.34	-61.98
C#CC[N@@H+]1CCCCC1C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030479893	1	56	0.0	-64.28	407.80	6.58	-57.70
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030479894	1	53	0.0	-59.99	399.82	4.58	-55.41
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=C[NH+]=CC=C2N)C1	REAL300030479895	0	47	0.0	-70.32	356.21	1.91	-68.41
CCCC(C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300030479904	0	56	0.0	-59.91	397.11	5.67	-54.24
CC(CC[NH+](C)C)C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030479925	0	56	0.0	-70.02	397.15	5.34	-64.68
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2CC(C)(C)C[N@@H+]2C)C1	REAL300030480015	0	57	0.0	-63.91	412.82	5.72	-58.19
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2CC(C)(C)C[N@H+]2C)C1	REAL300030480015	1	57	0.0	-68.86	405.81	5.66	-63.20
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CCCCC[NH+](C)C)C1	REAL300030480020	0	59	0.0	-70.56	427.57	6.51	-64.05
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CC[NH+]2CCC(O)CC2)C1	REAL300030480024	0	58	0.0	-69.53	415.34	2.65	-66.88
CCC[N@@H+]1CCCCC1C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030480027	0	60	0.0	-59.92	410.15	6.02	-53.90
CCC[N@H+]1CCCCC1C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030480027	1	60	0.0	-57.83	420.00	6.49	-51.34
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CN2CC[NH+](C)CC2)C1	REAL300030480035	1	56	0.0	-70.75	405.61	3.54	-67.21
CC1C[N@H+](C)CC(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)O1	REAL300030480119	1	55	0.0	-80.53	395.19	4.83	-75.70
CC1C[N@@H+](C)CC(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)O1	REAL300030480119	1	55	0.0	-84.26	394.21	4.41	-79.85
CCC1CCC[N@H+](CC(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030480149	0	60	0.0	-64.96	421.36	7.00	-57.96
CCC1CCC[N@@H+](CC(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030480149	1	60	0.0	-64.13	423.68	6.74	-57.39
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC=C(C[NH+](C)C)N2)C1	REAL300030480157	0	55	0.0	-65.03	406.56	5.76	-59.27
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C[NH+]2CC3CC3C2)C1	REAL300030480171	0	52	0.0	-62.96	375.98	5.42	-57.54
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CC2([NH+]3CCCC3)CC2)C1	REAL300030480184	0	58	0.0	-63.16	407.71	6.42	-56.74
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2CCCC[N@@H+]2C)C1	REAL300030480215	0	54	0.0	-57.39	379.15	5.13	-52.26
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2CCCC[N@H+]2C)C1	REAL300030480215	1	54	0.0	-55.76	376.45	5.04	-50.72
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C=C2CC[N@H+](C)C2)C1	REAL300030480307	0	52	0.0	-70.69	384.07	5.54	-65.15
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C=C2CC[N@@H+](C)C2)C1	REAL300030480307	1	52	0.0	-73.19	379.47	5.14	-68.05
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300030480312	0	50	0.0	-64.83	380.40	3.15	-61.68
CC[NH+]1CCN(CC(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300030480358	0	59	0.0	-69.53	423.35	4.22	-65.31
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C=C2C[NH+]3CCC2CC3)C1	REAL300030480359	0	56	0.0	-62.70	400.77	6.28	-56.42
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)C1	REAL300030480396	0	58	0.0	-62.15	411.73	2.77	-59.38
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)C1	REAL300030480396	1	58	0.0	-61.40	417.46	3.20	-58.20
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)[C@@H]2CCC[N@@H+]2C)C1	REAL300030480412	0	51	0.0	-58.22	366.39	4.51	-53.71
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)[C@@H]2CCC[N@H+]2C)C1	REAL300030480412	1	51	0.0	-62.99	356.91	4.09	-58.90
CCN1CCOCC1CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030480437	0	58	0.0	-70.88	416.00	4.49	-66.39
CC[N@@H+]1CCOCC1CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030480437	1	58	0.0	-78.99	420.45	4.70	-74.29
CC[N@H+]1CCOCC1CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030480437	1	58	0.0	-78.99	420.45	4.70	-74.29
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC=C3NC(N)=NC3=C2)C1	REAL300030480504	0	51	0.0	-67.34	384.81	4.72	-62.62
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC=C3NC(N)=[NH+]C3=C2)C1	REAL300030480504	1	51	0.0	-67.34	384.81	4.72	-62.62
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C1	REAL300030480533	0	54	0.0	-59.99	386.05	5.18	-54.81
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2CCC([NH+](C)C)CC2)C1	REAL300030480546	0	60	0.0	-70.31	413.68	6.37	-63.94
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C1	REAL300030480548	0	60	0.0	-53.96	410.17	6.22	-47.74
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CC2CC=CC[N@@H+]2C)C1	REAL300030480549	0	55	0.0	-74.47	396.56	6.24	-68.23
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CC2CC=CC[N@H+]2C)C1	REAL300030480549	1	55	0.0	-74.47	396.56	6.24	-68.23
CC1=CC(C=CC(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)=CN=C1N	REAL300030480594	0	54	0.0	-65.06	409.60	4.88	-60.18
CC1=CC(C=CC(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)=C[NH+]=C1N	REAL300030480594	1	54	0.0	-65.06	409.60	4.88	-60.18
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)COCC[NH+](C)C)C1	REAL300030480605	0	54	0.0	-64.31	401.24	4.85	-59.46
CCCCC[N@H+](C)CCC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030480611	0	62	0.0	-65.51	449.68	7.46	-58.05
CCCCC[N@@H+](C)CCC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030480611	1	62	0.0	-65.51	449.68	7.46	-58.05
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)C1	REAL300030480621	0	58	0.0	-69.97	423.30	5.87	-64.10
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CN2C=CSC2=[NH2+])C1	REAL300030480638	0	47	0.0	-63.73	374.53	4.10	-59.63
C[C@@H](OCC[NH+](C)C)C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030480696	0	57	0.0	-72.53	415.65	5.28	-67.25
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CC[NH+]2CCCCCC2)C1	REAL300030480726	0	60	0.0	-68.49	414.72	6.22	-62.27
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C[NH+]2CCCCC2)C1	REAL300030480730	0	54	0.0	-63.68	387.09	5.69	-57.99
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2CCC[N@H+](C)C2)C1	REAL300030480732	0	54	0.0	-59.08	378.10	5.45	-53.63
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2CCC[N@@H+](C)C2)C1	REAL300030480732	1	54	0.0	-59.19	377.09	5.38	-53.81
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300030480733	0	58	0.0	-65.58	418.78	3.00	-62.58
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C[NH+]2CCCCCC2)C1	REAL300030480734	0	57	0.0	-63.09	400.77	6.36	-56.73
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C[N+]2=CN(C)C=C2)C1	REAL300030480739	0	49	0.0	-61.06	373.90	7.14	-53.92
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC=C(C[NH+](C)C)O2)C1	REAL300030480752	1	54	0.0	-78.27	408.89	5.75	-72.52
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300030480765	1	55	0.0	-68.53	398.19	2.35	-66.18
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C[N@@H+](C)C2CC2)C1	REAL300030480770	1	51	0.0	-68.33	381.44	5.54	-62.79
CC(C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C)N1CC[NH+](C)CC1	REAL300030480772	1	59	0.0	-71.92	422.22	3.87	-68.05
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CC[N@H+]2CCC(F)C2)C1	REAL300030480774	1	54	0.0	-70.94	397.11	5.50	-65.44
CC(CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C)C[NH+](C)C	REAL300030480798	0	56	0.0	-69.75	402.55	5.89	-63.86
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300030480813	0	56	0.0	-73.68	403.37	4.08	-69.60
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2CC[N@H+]3CCOCC23)C1	REAL300030480813	1	56	0.0	-71.02	399.53	3.97	-67.05
CC1=[NH+]C=C2C=CC(C(=O)N3CC(C)CN(C(=O)C4=CC(=O)[N-]O4)CC3C)=CN21	REAL300030480818	0	52	0.0	-65.55	391.67	6.74	-58.81
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CC2COCCN2C)C1	REAL300030480832	0	55	0.0	-61.72	395.45	3.88	-57.84
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CC2COCC[N@@H+]2C)C1	REAL300030480832	1	55	0.0	-54.91	388.54	3.56	-51.35
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CC2COCC[N@H+]2C)C1	REAL300030480832	1	55	0.0	-61.72	395.45	3.88	-57.84
CC[NH+]1CCN(CC(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300030480838	0	59	0.0	-69.53	423.35	4.22	-65.31
CC1=CC(N)=[NH+]C=C1C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030480878	1	50	0.0	-56.94	369.86	2.67	-54.27
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CCC2=CC=C(N)[NH+]=C2)C1	REAL300030480881	0	53	0.0	-65.62	404.12	4.41	-61.21
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C[N@@H+]2CCC(C)(O)C2)C1	REAL300030480913	0	55	0.0	-61.89	396.59	1.96	-59.93
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C[N@H+]2CCC(C)(O)C2)C1	REAL300030480913	1	55	0.0	-62.89	399.11	2.03	-60.86
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CC2C[NH+](C)C2)C1	REAL300030480945	0	51	0.0	-70.25	374.23	4.52	-65.73
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300030480950	0	58	0.0	-64.20	415.40	6.73	-57.47
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300030480950	1	58	0.0	-71.20	416.20	6.73	-64.47
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C[NH+](C)C)C1	REAL300030480958	0	47	0.0	-64.35	340.71	3.55	-60.80
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CC[N@H+](C)CCO)C1	REAL300030480984	0	54	0.0	-65.86	395.54	1.94	-63.92
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CC[N@@H+](C)CCO)C1	REAL300030480984	1	54	0.0	-66.90	390.93	1.62	-65.28
C[C@@H](C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300030480985	0	50	0.0	-69.69	358.60	4.29	-65.40
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CC2CCCC[N@@H+]2C)C1	REAL300030481001	0	57	0.0	-67.88	406.17	6.21	-61.67
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CC2CCCC[N@H+]2C)C1	REAL300030481001	1	57	0.0	-65.78	399.64	5.76	-60.02
CC1=C2C=C(C(=O)N3CC(C)CN(C(=O)C4=CC(=O)[N-]O4)CC3C)C=CN2C=[NH+]1	REAL300030481018	1	52	0.0	-85.80	394.10	7.62	-78.18
CC(C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1CC(C)C1	REAL300030481019	0	54	0.0	-70.79	384.06	5.18	-65.61
CC1CC[N@@H+]1CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030481022	1	51	0.0	-61.50	366.36	4.35	-57.15
CC1CC[N@H+]1CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030481022	1	51	0.0	-64.04	371.99	4.62	-59.42
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C=CC[NH+](C)C)C1	REAL300030481032	0	51	0.0	-72.83	382.24	5.16	-67.67
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C[NH+]2CC(C)(C)C2)C1	REAL300030481044	1	54	0.0	-65.10	393.30	5.25	-59.85
CC1=C(C)[NH+]=C(CCC(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)N1	REAL300030481061	1	55	0.0	-58.37	415.32	5.21	-53.16
CC1=C2C=C(C(=O)N3CC(C)CN(C(=O)C4=CC(=O)[N-]O4)CC3C)C=CN2C=[NH+]1	REAL300030481071	1	52	0.0	-85.80	394.10	7.62	-78.18
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CSCC[NH+](C)C)C1	REAL300030481079	0	54	0.0	-73.42	412.27	5.84	-67.58
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C[N@@H+]2CCCC2CO)C1	REAL300030481102	0	55	0.0	-70.32	397.25	2.69	-67.63
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C[N@H+]2CCCC2CO)C1	REAL300030481102	1	55	0.0	-68.65	391.23	2.66	-65.99
CC[NH+](CC)CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030481106	0	53	0.0	-61.50	380.70	5.16	-56.34
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C[N@H+](C)C2CCSC2)C1	REAL300030481116	0	55	0.0	-65.00	404.03	6.10	-58.90
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C[N@@H+](C)C2CCSC2)C1	REAL300030481116	1	55	0.0	-67.16	399.98	5.78	-61.38
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C[NH+]2CCC2)C1	REAL300030481118	1	48	0.0	-72.42	356.94	4.51	-67.91
CC[NH+](CC)CCC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030481154	0	56	0.0	-66.13	402.54	5.81	-60.32
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC(C[NH+](C)C)=CN2)C1	REAL300030481205	0	55	0.0	-76.91	399.23	5.23	-71.68
CC(C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1CCC(O)CC1	REAL300030481218	0	58	0.0	-60.20	404.84	2.41	-57.79
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300030481223	0	56	0.0	-67.03	401.70	4.09	-62.94
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2CC3COCC[N@H+]3C2)C1	REAL300030481223	1	56	0.0	-70.82	402.11	4.39	-66.43
CC(C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1CCC1	REAL300030481235	1	51	0.0	-64.10	365.95	4.54	-59.56
CCC(CC(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C)C[NH+](C)C	REAL300030481241	0	59	0.0	-71.15	416.37	6.37	-64.78
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C=CC2=CC=C(N)[NH+]=C2)C1	REAL300030481246	0	51	0.0	-66.49	391.67	4.10	-62.39
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)[C@H]2CCCC[N@@H+]2C)C1	REAL300030481293	0	54	0.0	-58.51	382.11	5.16	-53.35
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)[C@H]2CCCC[N@H+]2C)C1	REAL300030481293	1	54	0.0	-55.48	375.13	4.76	-50.72
CC1CN2CC[N@@H+]1CC2C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030481305	0	57	0.0	-77.82	396.89	2.58	-75.24
CC1CN2CC[N@H+]1CC2C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030481305	1	57	0.0	-75.66	396.21	2.55	-73.11
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CC(O)C[NH+](C)C)C1	REAL300030481325	0	54	0.0	-69.92	393.41	2.58	-67.34
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2CC3CCC(C2)[NH+]3C)C1	REAL300030481328	0	58	0.0	-61.73	386.02	5.28	-56.45
C=CCC(C(=O)N1CC(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300030481360	0	54	0.0	-59.56	389.51	5.42	-54.14
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300030481367	0	58	0.0	-68.97	410.08	6.62	-62.35
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300030481367	1	58	0.0	-69.37	412.64	6.55	-62.82
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CC2(O)CC[NH+](C)CC2)C1	REAL300030481376	0	58	0.0	-71.71	417.14	4.27	-67.44
CC1=C2C=C(C(=O)N3CC(C)CN(C(=O)C4=CC(=O)[N-]O4)C(C)C3)C=CN2C=[NH+]1	REAL300030481449	1	52	0.0	-71.29	405.51	8.03	-63.26
CC1CN(C(=O)CSCC[NH+](C)C)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030481458	0	54	0.0	-73.39	416.72	5.95	-67.44
CC1CN(C(=O)C2CC3COCC[N@@H+]3C2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030481466	0	56	0.0	-67.08	405.45	4.24	-62.84
CC1CN(C(=O)C2CC3COCC[N@H+]3C2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030481466	1	56	0.0	-66.39	404.98	4.15	-62.24
C[N@@H+]1CCCC1C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030481629	0	52	0.0	-56.14	375.65	4.73	-51.41
C[N@H+]1CCCC1C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030481629	1	52	0.0	-62.06	376.40	4.11	-57.95
C[N@@H+]1CCOC(C(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030481653	1	53	0.0	-67.67	389.01	4.12	-63.55
C[N@H+]1CCOC(C(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030481653	1	53	0.0	-66.67	386.25	3.81	-62.86
CC(C)[N@@H+]1CCCC1C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030481809	0	58	0.0	-77.06	404.43	5.59	-71.47
CC(C)[N@H+]1CCCC1C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030481809	1	58	0.0	-56.58	403.95	5.94	-50.64
CC1=[NH+]C=CN1CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030481842	1	50	0.0	-76.47	382.96	5.06	-71.41
O=C(NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCC1CC2	REAL300030481870	0	56	0.0	-90.33	394.52	5.22	-85.11
C[C@@H]1[C@H](C(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030481904	0	55	0.0	-80.78	390.59	4.64	-76.14
C[C@@H]1[C@H](C(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030481904	1	55	0.0	-85.04	393.88	4.60	-80.44
CC[C@@H]1[C@@H](C(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030481906	0	58	0.0	-80.76	409.85	5.11	-75.65
CC[C@@H]1[C@@H](C(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030481906	1	58	0.0	-82.67	414.06	5.33	-77.34
CC[N@@H+]1CCOC(C(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030481913	1	56	0.0	-63.12	401.91	4.67	-58.45
CC[N@H+]1CCOC(C(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030481913	1	56	0.0	-64.53	409.50	4.75	-59.78
CC[NH+](CC)CC(F)C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030481941	0	57	0.0	-83.12	415.45	5.34	-77.78
CC1CCC(C)[NH+]1CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030481977	0	58	0.0	-76.05	408.61	5.23	-70.82
O=C(CCC[NH+]1CCCC1)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030481980	0	58	0.0	-80.74	423.36	5.97	-74.77
O=C(CC[NH+]1CCCCC1)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030481983	0	58	0.0	-62.89	420.24	5.98	-56.91
CC[N@@H+]1CCCCC1C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030481986	0	58	0.0	-55.58	409.27	5.99	-49.59
CC[N@H+]1CCCCC1C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030481986	1	58	0.0	-50.44	412.61	6.06	-44.38
C[NH+](C)C1(C(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300030481997	0	55	0.0	-59.70	388.66	5.00	-54.70
CC(C)[C@@H](C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030482004	0	57	0.0	-77.29	401.66	5.54	-71.75
C[N@H+](CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030482029	0	55	0.0	-77.30	397.72	5.32	-71.98
C[N@@H+](CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030482029	1	55	0.0	-78.02	397.86	5.34	-72.68
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030482105	1	54	0.0	-51.30	399.19	5.66	-45.64
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030482105	1	54	0.0	-76.64	405.81	5.71	-70.93
C[N@@H+]1CCCC1CCC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030482110	0	58	0.0	-61.27	421.40	6.25	-55.02
C[N@H+]1CCCC1CCC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030482110	1	58	0.0	-78.66	415.13	5.43	-73.23
C[NH+]1CCC(C(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030482130	0	55	0.0	-87.04	396.21	4.99	-82.05
C[N@@H+]1CCCCC1C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030482169	0	55	0.0	-57.75	387.45	4.70	-53.05
C[N@H+]1CCCCC1C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030482169	1	55	0.0	-57.54	398.51	5.12	-52.42
O=C(NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=CN2C=[NH+]C=C2C=C1	REAL300030482239	0	50	0.0	-81.03	381.80	6.85	-74.18
O=C(CC[NH+]1CCOCC1)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030482246	1	56	0.0	-84.30	408.80	3.44	-80.86
CC1=C[NH+]=CN1CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030482259	1	50	0.0	-79.94	380.33	5.66	-74.28
O=C(NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+]1CCC2	REAL300030482280	0	56	0.0	-53.95	401.44	5.51	-48.44
C[N@@H+]1CCC(CC(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030482291	0	55	0.0	-65.88	403.27	5.08	-60.80
C[N@H+]1CCC(CC(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030482291	1	55	0.0	-67.15	402.82	5.15	-62.00
CN(C)C1=CC=[NH+]C=C1C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030482297	0	54	0.0	-90.54	402.32	4.12	-86.42
CCC(C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030482299	0	54	0.0	-74.97	384.18	4.45	-70.52
O=C(NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=CC2=C[NH+]=CN2C=C1	REAL300030482326	1	50	0.0	-87.19	382.07	6.86	-80.33
C[NH+](C)CCCCC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030482358	0	57	0.0	-83.09	419.37	5.55	-77.54
CC(C)C(C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030482372	0	57	0.0	-79.10	397.13	4.88	-74.22
CCC[N@H+](C)CCC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030482373	0	57	0.0	-82.83	413.22	5.29	-77.54
CCC[N@@H+](C)CCC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030482373	1	57	0.0	-64.25	417.83	5.50	-58.75
CCC[N@H+](C)CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030482377	0	54	0.0	-79.97	390.85	4.75	-75.22
CCC[N@@H+](C)CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030482377	1	54	0.0	-79.65	392.76	4.85	-74.80
O=C(NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C12CC[N@H+](C1)CCC2	REAL300030482392	0	56	0.0	-89.89	393.24	4.53	-85.36
O=C(NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C12CC[N@@H+](C1)CCC2	REAL300030482392	1	56	0.0	-66.34	398.06	4.72	-61.62
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030482418	0	52	0.0	-81.08	373.76	3.97	-77.11
C[N@H+]1CCC[C@@H]1C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030482418	1	52	0.0	-76.04	376.64	4.38	-71.66
CC[NH+](CC)CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030482453	0	54	0.0	-78.37	390.10	4.78	-73.59
CC1CC[NH+](CC(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030482514	0	58	0.0	-60.70	418.82	6.04	-54.66
C[NH+](C)CC1(C(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030482536	0	55	0.0	-57.53	408.57	5.29	-52.24
C[NH+]1CCC(C(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030482589	0	55	0.0	-87.04	396.21	4.99	-82.05
CC(C)[C@H](C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030482605	0	57	0.0	-58.06	396.15	5.28	-52.78
CCC(C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300030482633	0	60	0.0	-72.18	419.79	5.81	-66.37
CC[N@H+](C)CCC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030482674	0	54	0.0	-63.69	396.33	4.76	-58.93
CC[N@@H+](C)CCC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030482674	1	54	0.0	-63.79	396.33	4.76	-59.03
CC1CCC[N@@H+]1CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030482704	0	55	0.0	-53.60	399.13	5.55	-48.05
CC1CCC[N@H+]1CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030482704	1	55	0.0	-75.95	390.19	4.76	-71.19
CC1CC[N@H+](CC(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030482706	0	55	0.0	-79.23	397.36	5.06	-74.17
CC1CC[N@@H+](CC(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030482706	1	55	0.0	-78.98	399.62	5.21	-73.77
CC1(C)CC[N@H+](CC(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030482710	0	58	0.0	-54.91	418.07	6.00	-48.91
CC1(C)CC[N@@H+](CC(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030482710	1	58	0.0	-79.71	417.10	5.58	-74.13
C[N@H+](CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030482711	0	60	0.0	-55.37	420.65	6.21	-49.16
C[N@@H+](CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030482711	1	60	0.0	-79.18	423.67	6.01	-73.17
CC[C@@H](C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030482719	0	54	0.0	-78.57	385.34	4.92	-73.65
C[NH+](C)CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030482823	0	48	0.0	-80.08	354.01	3.43	-76.65
O=C(C[NH+]1CCCCCC1)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030482827	0	58	0.0	-80.29	404.85	5.75	-74.54
CN1C=C[N+](CC(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)=C1	REAL300030482830	0	50	0.0	-76.75	382.86	6.86	-69.89
C[N@@H+]1CCCC(C(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030482835	0	55	0.0	-64.90	401.13	5.13	-59.77
C[N@H+]1CCCC(C(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030482835	1	55	0.0	-71.11	389.65	5.14	-65.97
O=C(NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1CCC[N@@H+]1C1CC1	REAL300030482840	0	56	0.0	-80.56	406.04	5.54	-75.02
O=C(NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1CCC[N@H+]1C1CC1	REAL300030482840	1	56	0.0	-56.14	402.36	5.32	-50.82
CC(C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030482856	1	52	0.0	-77.06	379.90	4.43	-72.63
CCC(CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030482860	0	60	0.0	-85.79	428.94	6.04	-79.75
C[NH+](C)CC(C)(C)C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030482865	0	57	0.0	-80.01	403.36	5.18	-74.83
O=C(C[NH+]1CCC(O)CC1)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030482880	1	56	0.0	-64.01	409.06	2.08	-61.93
C[N@H+](CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030482881	0	52	0.0	-76.54	382.79	4.85	-71.69
C[N@@H+](CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030482881	1	52	0.0	-59.05	385.64	4.97	-54.08
C[NH+]1CC(CC(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030482897	0	52	0.0	-80.60	382.73	4.08	-76.52
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030482908	0	58	0.0	-77.21	412.74	5.06	-72.15
CC(C)(C)[N@H+]1CCC1C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030482908	1	58	0.0	-54.46	414.43	5.68	-48.78
C[C@@H](C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030482919	0	51	0.0	-77.36	369.79	3.76	-73.60
[NH2+]=C1SC=CN1CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030482978	0	48	0.0	-76.40	380.60	3.63	-72.77
C[N@H+](CCO)CCC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030482985	0	55	0.0	-64.45	406.68	1.55	-62.90
C[N@@H+](CCO)CCC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030482985	1	55	0.0	-81.44	402.05	1.30	-80.14
C[C@@H](C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030482986	0	51	0.0	-77.36	369.79	3.76	-73.60
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030482990	0	55	0.0	-54.47	386.09	5.15	-49.32
C[N@H+]1CCCC[C@@H]1C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030482990	1	55	0.0	-77.37	394.99	5.04	-72.33
C[N@@H+]1CCC(=CC(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030483059	0	53	0.0	-69.92	395.47	5.05	-64.87
C[N@H+]1CCC(=CC(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030483059	1	53	0.0	-70.05	394.43	5.09	-64.96
C[NH+](C)CCOCC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483082	0	55	0.0	-80.49	409.88	4.48	-76.01
C=CCC(C)(C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030483096	0	58	0.0	-52.94	407.98	5.36	-47.58
C[S+](C)CCC(O)C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483100	0	54	0.0	-85.64	418.38	3.09	-82.55
C[N@@H+]1CC(O)CC1(C)C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483119	0	56	0.0	-86.58	400.23	1.62	-84.96
CC1CN(CC(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030483138	0	52	0.0	-80.22	382.86	4.41	-75.81
CC1C[NH+](CC(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030483138	1	52	0.0	-80.22	382.86	4.41	-75.81
CN(CCO)CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483156	0	52	0.0	-81.21	379.71	0.78	-80.43
C[N@H+](CCO)CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483156	1	52	0.0	-56.74	380.10	1.30	-55.44
C[N@@H+](CCO)CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483156	1	52	0.0	-56.74	380.10	1.30	-55.44
CC[N@@H+]1CCCC(C(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030483176	0	58	0.0	-59.97	409.85	5.95	-54.02
CC[N@H+]1CCCC(C(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030483176	1	58	0.0	-59.97	409.85	5.95	-54.02
CC(CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030483178	0	57	0.0	-81.77	411.19	5.43	-76.34
CC[N@H+](C)CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483183	0	51	0.0	-55.69	370.02	4.45	-51.24
CC[N@H+](CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030483216	0	55	0.0	-76.88	399.57	5.46	-71.42
CC[NH+](CC)CCC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483226	0	57	0.0	-81.40	407.59	5.07	-76.33
CC1(O)CC[N@H+](CC(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030483262	0	56	0.0	-80.57	410.17	1.84	-78.73
C[NH+](C)CC=CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483266	0	52	0.0	-84.13	390.76	4.71	-79.42
CC(OCC[NH+](C)C)C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483275	0	58	0.0	-78.58	429.19	5.18	-73.40
C[NH+](C)CCOCCC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483281	0	58	0.0	-80.21	430.81	4.23	-75.98
COCCN(C)CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483282	0	55	0.0	-57.07	402.35	3.70	-53.37
COCC[N@H+](C)CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483282	1	55	0.0	-80.26	403.87	3.28	-76.98
COCC[N@@H+](C)CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483282	1	55	0.0	-80.26	403.87	3.28	-76.98
C[NH+](C)C1(C(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300030483302	0	58	0.0	-88.18	403.38	5.81	-82.37
CC(CCC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030483304	0	57	0.0	-86.01	407.34	5.17	-80.84
CCN1CCC1C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483310	0	52	0.0	-60.47	388.03	4.55	-55.92
CC[N@@H+]1CCC1C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483310	1	52	0.0	-59.60	378.89	4.27	-55.33
CC[N@H+]1CCC1C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483310	1	52	0.0	-59.60	378.89	4.27	-55.33
O=C(C[N@H+]1CCCC1CO)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483323	0	56	0.0	-58.94	410.73	2.02	-56.92
C[NH+]1CCC(C)(C(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030483345	0	58	0.0	-59.79	413.72	5.59	-54.20
C=CCC(C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030483364	0	55	0.0	-74.44	397.19	4.92	-69.52
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483371	0	58	0.0	-58.15	413.27	5.49	-52.66
C[NH+](C)CCCCCC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483373	0	60	0.0	-82.19	440.87	6.34	-75.85
CCCC(C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030483394	0	57	0.0	-75.83	405.43	5.21	-70.62
C[NH+](C)C(C)(C)C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483397	0	54	0.0	-84.67	380.72	4.63	-80.04
C[N@@H+]1CCCCC1C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483423	0	55	0.0	-57.54	398.51	5.12	-52.42
C[N@H+]1CC=C(CC(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030483447	0	56	0.0	-75.25	412.59	5.75	-69.50
C[N@@H+]1CC=C(CC(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030483447	1	56	0.0	-75.25	412.59	5.75	-69.50
O=C(C=CC[NH+]1CCCC1)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483487	0	56	0.0	-83.08	415.83	5.87	-77.21
O=C(CC[NH+]1CCCC1)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483520	0	55	0.0	-81.41	399.96	5.07	-76.34
C[N@@H+]1CC2CC1(C(=O)NC1CCCC3CCC1N3C(=O)C1=CC(=O)[N-]O1)C2	REAL300030483549	0	53	0.0	-56.00	389.03	4.56	-51.44
O=C(C[N@@H+]1CC2CCC1C2)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483556	0	56	0.0	-78.09	398.05	5.42	-72.67
O=C(CN1CC2C=CC1C2)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483596	0	54	0.0	-58.15	395.56	5.38	-52.77
O=C(C[N@@H+]1CC2C=CC1C2)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483596	1	54	0.0	-77.98	392.73	5.40	-72.58
O=C(C[N@H+]1CC2C=CC1C2)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483596	1	54	0.0	-77.98	392.73	5.40	-72.58
CC(C[NH+](C)C)C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483628	0	54	0.0	-64.38	394.64	4.82	-59.56
C[N@@H+]1CCCCC1CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483678	0	58	0.0	-63.96	415.51	5.68	-58.28
C[N@H+]1CCCCC1CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483678	1	58	0.0	-63.96	415.51	5.68	-58.28
CC(C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)N1CC(C)C1	REAL300030483688	0	55	0.0	-77.23	399.68	5.10	-72.13
CC(C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300030483688	1	55	0.0	-77.23	399.68	5.10	-72.13
CC1CCN1CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483690	0	52	0.0	-77.12	379.12	4.23	-72.89
CC1CC[N@@H+]1CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483690	1	52	0.0	-79.24	382.96	4.43	-74.81
CC1CC[N@H+]1CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483690	1	52	0.0	-79.24	382.96	4.43	-74.81
C[NH+](C)CC(O)CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483693	0	55	0.0	-85.59	406.62	2.46	-83.13
CC1CN(C)CC(C(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)O1	REAL300030483713	0	56	0.0	-95.47	403.51	4.50	-90.97
CC1C[N@H+](C)CC(C(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)O1	REAL300030483713	1	56	0.0	-96.40	411.79	4.58	-91.82
CC1C[N@@H+](C)CC(C(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)O1	REAL300030483713	1	56	0.0	-96.40	411.79	4.58	-91.82
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030483760	0	55	0.0	-79.21	403.09	5.16	-74.05
CC(CC[NH+](C)C)C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483766	0	57	0.0	-66.81	416.27	5.44	-61.37
CN1CCN(CC(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030483785	0	57	0.0	-78.81	410.70	2.86	-75.95
C[NH+]1CCN(CC(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030483785	1	57	0.0	-78.81	410.70	2.86	-75.95
NC(=[NH2+])SCC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483809	0	46	0.0	-83.02	362.53	0.29	-82.73
C[NH+](C)CCC1(C(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030483838	0	58	0.0	-76.86	429.24	5.96	-70.90
C[N@@H+]1CC=CCC1CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483839	0	56	0.0	-70.46	397.67	5.39	-65.07
C[N@H+]1CC=CCC1CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483839	1	56	0.0	-70.46	397.67	5.39	-65.07
C[C@@H](OCC[NH+](C)C)C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483852	0	58	0.0	-78.71	427.36	5.09	-73.62
CCC1CN(CC(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030483938	0	55	0.0	-81.11	404.25	5.17	-75.94
CCC1C[NH+](CC(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030483938	1	55	0.0	-81.11	404.25	5.17	-75.94
C[N@@H+]1CCC[C@H]1C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483943	0	52	0.0	-80.86	371.08	3.89	-76.97
O=C(CC[N@H+]1CCC(F)C1)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483949	0	55	0.0	-86.69	406.07	5.11	-81.58
CC1C(C(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030483968	0	55	0.0	-57.40	392.77	5.19	-52.21
CC1C(C(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030483968	1	55	0.0	-57.40	392.77	5.19	-52.21
CN1CCOCC1CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483997	0	56	0.0	-61.79	399.15	3.15	-58.64
C[N@@H+]1CCOCC1CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483997	1	56	0.0	-72.97	394.59	3.03	-69.94
C[N@H+]1CCOCC1CC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483997	1	56	0.0	-72.97	394.59	3.03	-69.94
C[N@@H+]1CCCC1C(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030484168	0	52	0.0	-71.32	370.63	3.92	-67.40
O=C(CCN1CCOCC1)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030484347	0	56	0.0	-79.40	411.15	3.54	-75.86
O=C(CC[NH+]1CCOCC1)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030484347	1	56	0.0	-79.40	411.15	3.54	-75.86
O=C(NC1CCCC2CCC1N2C(=O)C12CCC[NH+]1CCC2)C1=CC(=O)[N-]O1	REAL300030484359	0	56	0.0	-64.95	388.22	4.62	-60.33
O=C(NC1CCCC2CCC1N2C(=O)C1=CC2=CN=CN2C=C1)C1=CC(=O)[N-]O1	REAL300030484365	0	50	0.0	-79.35	393.13	7.06	-72.29
O=C(NC1CCCC2CCC1N2C(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC(=O)[N-]O1	REAL300030484365	1	50	0.0	-79.35	393.13	7.06	-72.29
C[N@@H+]1CCC(CC(=O)N2C3CCC2C(NC(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030484396	0	55	0.0	-77.85	404.24	5.23	-72.62
C[N@H+]1CCC(CC(=O)N2C3CCC2C(NC(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030484396	1	55	0.0	-77.85	404.24	5.23	-72.62
CCC(C(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300030484404	0	54	0.0	-70.93	385.65	4.56	-66.37
C[NH+](C)CCCCC(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030484442	0	57	0.0	-75.38	421.94	6.01	-69.37
CC(C)C(C(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300030484458	0	57	0.0	-58.65	396.23	5.00	-53.65
CCC[N@H+](C)CCC(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030484459	0	57	0.0	-77.41	417.42	5.53	-71.88
CCC[N@@H+](C)CCC(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030484459	1	57	0.0	-77.41	417.42	5.53	-71.88
CCC[N@H+](C)CC(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030484463	0	54	0.0	-70.87	398.38	5.06	-65.81
CCC[N@@H+](C)CC(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030484463	1	54	0.0	-70.87	398.38	5.06	-65.81
O=C(NC1CCCC2CCC1N2C(=O)C12CC[N@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300030484478	0	56	0.0	-74.55	387.91	4.34	-70.21
O=C(NC1CCCC2CCC1N2C(=O)C12CC[N@@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300030484478	1	56	0.0	-74.55	387.91	4.34	-70.21
C[NH+](C)CC1(C(=O)N2C3CCC2C(NC(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300030484552	0	55	0.0	-68.13	395.70	4.92	-63.21
CC[N@H+](C)CCC(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030484571	0	54	0.0	-76.73	398.13	4.86	-71.87
CC[N@@H+](C)CCC(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030484571	1	54	0.0	-76.73	398.13	4.86	-71.87
O=C(NC1CCCC2CCC1N2C(=O)C1C[NH+]2CCC1CC2)C1=CC(=O)[N-]O1	REAL300030484589	0	56	0.0	-83.34	393.55	5.35	-77.99
C[NH+]1CCC(C(=O)N2C3CCC2C(NC(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300030484638	0	55	0.0	-79.07	392.91	4.84	-74.23
CC(C)[C@H](C(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300030484654	0	57	0.0	-70.69	394.63	4.90	-65.79
C[NH+](C)C1(C(=O)N2C3CCC2C(NC(=O)C2=CC(=O)[N-]O2)CCC3)CCC1	REAL300030484735	0	55	0.0	-63.07	376.28	4.16	-58.91
CCC(C(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](CC)CC	REAL300030484763	0	60	0.0	-65.37	414.85	5.61	-59.76
CC1CCC[N@@H+]1CC(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030484774	0	55	0.0	-64.27	395.29	4.70	-59.57
CC1CCC[N@H+]1CC(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030484774	1	55	0.0	-64.27	395.29	4.70	-59.57
CC(C)[N@@H+]1CCCC1C(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030484820	0	58	0.0	-68.84	396.63	4.55	-64.29
CC(C)[N@H+]1CCCC1C(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030484820	1	58	0.0	-68.84	396.63	4.55	-64.29
CC(C)[C@@H](C(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300030484829	0	57	0.0	-69.27	403.43	5.49	-63.78
CC1CC[N@H+](CC(=O)N2C3CCC2C(NC(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030484843	0	55	0.0	-69.25	401.75	5.64	-63.61
CC1CC[N@@H+](CC(=O)N2C3CCC2C(NC(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030484843	1	55	0.0	-69.25	401.75	5.64	-63.61
CC1(C)CC[N@H+](CC(=O)N2C3CCC2C(NC(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030484847	0	58	0.0	-72.61	420.88	5.77	-66.84
CC1(C)CC[N@@H+](CC(=O)N2C3CCC2C(NC(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030484847	1	58	0.0	-73.22	424.42	5.89	-67.33
C[N@H+](CC(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2)CC(C)(C)C	REAL300030484848	0	60	0.0	-71.51	426.80	6.11	-65.40
C[N@@H+](CC(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2)CC(C)(C)C	REAL300030484848	1	60	0.0	-73.31	427.72	6.15	-67.16
CC[C@@H](C(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300030484856	0	54	0.0	-68.45	387.22	4.72	-63.73
CC1=[NH+]C=CN1CC(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030484977	1	50	0.0	-70.14	387.59	5.18	-64.96
CC[N@@H+]1CCOC(C(=O)N2C3CCC2C(NC(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030485041	1	56	0.0	-72.91	397.81	4.39	-68.52
CC[N@H+]1CCOC(C(=O)N2C3CCC2C(NC(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030485041	1	56	0.0	-86.14	405.59	4.68	-81.46
O=C(NC1CCCC2CCC1N2C(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC(=O)[N-]O1	REAL300030485071	0	50	0.0	-79.05	393.02	7.03	-72.02
CC1=C[NH+]=CN1CC(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030485074	1	50	0.0	-67.15	388.73	6.05	-61.10
C[C@@H]1[C@H](C(=O)N2C3CCC2C(NC(=O)C2=CC(=O)[N-]O2)CCC3)CC[N@@H+]1C	REAL300030485081	0	55	0.0	-77.71	384.38	4.84	-72.87
C[C@@H]1[C@H](C(=O)N2C3CCC2C(NC(=O)C2=CC(=O)[N-]O2)CCC3)CC[N@H+]1C	REAL300030485081	1	55	0.0	-73.80	394.72	4.77	-69.03
CC[C@@H]1[C@@H](C(=O)N2C3CCC2C(NC(=O)C2=CC(=O)[N-]O2)CCC3)CC[N@@H+]1C	REAL300030485083	0	58	0.0	-75.59	412.09	5.17	-70.42
CC[C@@H]1[C@@H](C(=O)N2C3CCC2C(NC(=O)C2=CC(=O)[N-]O2)CCC3)CC[N@H+]1C	REAL300030485083	1	58	0.0	-68.98	414.48	5.89	-63.09
CC1CCC(C)[NH+]1CC(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030485090	0	58	0.0	-69.74	412.49	5.51	-64.23
O=C(CCC[NH+]1CCCC1)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030485093	0	58	0.0	-71.36	426.41	6.41	-64.95
O=C(CC[NH+]1CCCCC1)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030485097	0	58	0.0	-75.66	419.73	5.97	-69.69
CC[N@@H+]1CCCCC1C(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030485100	0	58	0.0	-74.15	408.53	5.55	-68.60
CC[N@H+]1CCCCC1C(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030485100	1	58	0.0	-68.27	414.86	5.75	-62.52
C[N@H+](CC(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2)C1CCC1	REAL300030485198	0	55	0.0	-71.47	403.96	5.57	-65.90
C[N@@H+](CC(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2)C1CCC1	REAL300030485198	1	55	0.0	-71.32	404.06	5.57	-65.75
C[NH+]1CCC(C(=O)N2C3CCC2C(NC(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300030485229	0	55	0.0	-79.07	392.91	4.84	-74.23
C[N@@H+]1CCC[C@@H]1C(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030485259	0	52	0.0	-71.66	372.51	4.03	-67.63
C[N@H+]1CCC[C@@H]1C(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030485259	1	52	0.0	-67.48	375.67	4.17	-63.31
C#CC[N@H+]1CCC[C@H]1C(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030485277	1	54	0.0	-71.40	400.97	5.23	-66.17
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030485277	1	54	0.0	-67.91	402.16	5.85	-62.06
C[N@@H+]1CCCC1CCC(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030485282	0	58	0.0	-78.81	424.36	6.39	-72.42
C[N@H+]1CCCC1CCC(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030485282	1	58	0.0	-74.40	419.72	5.66	-68.74
C[N@@H+]1CCCCC1C(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030485356	0	55	0.0	-70.97	387.04	4.69	-66.28
C[N@H+]1CCCCC1C(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030485356	1	55	0.0	-57.63	396.52	5.03	-52.60
CC1C(C(=O)N2C3CCC2C(NC(=O)C2=CC(=O)[N-]O2)CCC3)CC[N@@H+]1C	REAL300030485414	0	55	0.0	-74.88	395.43	4.73	-70.15
CC1C(C(=O)N2C3CCC2C(NC(=O)C2=CC(=O)[N-]O2)CCC3)CC[N@H+]1C	REAL300030485414	1	55	0.0	-63.68	404.01	4.99	-58.69
CC(C)(C)[N@@H+]1CCC1C(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030485470	0	58	0.0	-72.57	396.93	4.61	-67.96
CC(C)(C)[N@H+]1CCC1C(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030485470	1	58	0.0	-70.77	409.13	4.94	-65.83
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CC(C(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2)[NH+]1CCC1	REAL300030487006	1	52	0.0	-70.90	383.97	4.46	-66.44
CCC(CC(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2)C[NH+](C)C	REAL300030487011	0	60	0.0	-74.01	425.78	6.06	-67.95
NC1=CC=C(C=CC(=O)N2C3CCC2C(NC(=O)C2=CC(=O)[N-]O2)CCC3)C=[NH+]1	REAL300030487016	0	52	0.0	-80.99	402.87	4.05	-76.94
C[NH+](C)CC(C)(C)C(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030487017	0	57	0.0	-59.10	382.26	4.29	-54.81
C[N@@H+]1CCCC[C@@H]1C(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030487054	0	55	0.0	-70.90	386.89	4.67	-66.23
C[N@H+]1CCCC[C@@H]1C(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030487054	1	55	0.0	-67.85	393.05	4.98	-62.87
C[NH+](C)CC(O)CC(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030487078	0	55	0.0	-77.19	409.28	2.82	-74.37
C=CCC(C(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300030487100	0	55	0.0	-68.67	398.53	4.98	-63.69
C[NH+]1CCC(C)(C(=O)N2C3CCC2C(NC(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300030487113	0	58	0.0	-67.00	398.78	4.88	-62.12
C[NH+](C)CCSCC(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030487176	0	55	0.0	-86.52	420.90	5.35	-81.17
C[NH+](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2	REAL300030487283	0	55	0.0	-53.78	396.53	1.73	-52.05
C[C@@H](C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2)[NH+](C)C	REAL300030487289	0	58	0.0	-65.20	412.69	2.13	-63.07
C[C@@H](C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2)[NH+](C)C	REAL300030487302	0	58	0.0	-65.20	412.69	2.13	-63.07
O=C(C[NH+]1CCC1)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2	REAL300030487310	1	56	0.0	-66.94	405.42	2.24	-64.70
C[C@H](C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2)[NH+](C)C	REAL300030487315	0	58	0.0	-65.37	413.79	2.19	-63.18
CC[N@H+](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2	REAL300030487327	0	58	0.0	-52.83	414.12	2.53	-50.30
CC[N@@H+](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2	REAL300030487327	1	58	0.0	-66.56	413.03	2.49	-64.07
C[C@@H](C(=O)N1CCC2(CCOCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030487495	0	58	0.0	-73.57	414.87	2.33	-71.24
CC[N@H+](C)CC(=O)N1CCC2(CCOCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030487514	0	58	0.0	-74.07	416.30	2.64	-71.43
CC[N@@H+](C)CC(=O)N1CCC2(CCOCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030487514	1	58	0.0	-74.00	416.28	2.64	-71.36
C[C@H](C(=O)N1CCC2(CCOCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030487527	0	58	0.0	-73.41	414.40	2.29	-71.12
C[NH+](C)CC(=O)N1CCC2(CCOCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030487584	0	55	0.0	-75.97	398.15	1.95	-74.02
C[C@@H](C(=O)N1CCC2(CCOCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030487587	0	58	0.0	-73.57	414.87	2.33	-71.24
O=C(C[NH+]1CCC1)N1CCC2(CCOCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030487594	1	56	0.0	-76.06	408.45	2.41	-73.65
CC(NC(=O)C1CCC[N@@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030487774	0	52	0.0	-65.07	388.40	0.96	-64.11
CC(NC(=O)C1CCC[N@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030487774	1	52	0.0	-64.41	388.27	0.98	-63.43
CC(NC(=O)C1C[N@H+](C)CCO1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030487798	1	53	0.0	-74.83	392.47	0.19	-74.64
CC(NC(=O)C1C[N@@H+](C)CCO1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030487798	1	53	0.0	-82.93	399.62	0.37	-82.56
CC(C)[N@@H+]1CCCC1C(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030487943	0	58	0.0	-66.28	409.49	1.96	-64.32
CC(C)[N@H+]1CCCC1C(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030487943	1	58	0.0	-66.63	410.08	2.06	-64.57
CC1=[NH+]C=CN1CC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030487966	1	50	0.0	-65.22	391.77	1.54	-63.68
CC(NC(=O)C1C[NH+]2CCC1CC2)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030487986	0	56	0.0	-77.09	403.79	1.81	-75.28
CC(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488012	0	55	0.0	-72.66	398.73	0.89	-71.77
CC(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488012	1	55	0.0	-68.92	405.27	1.26	-67.66
CC[C@@H]1[C@@H](C(=O)NC(C)C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300030488014	0	58	0.0	-68.67	419.93	1.70	-66.97
CC[C@@H]1[C@@H](C(=O)NC(C)C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300030488014	1	58	0.0	-67.98	424.72	2.06	-65.92
CC[N@@H+]1CCOC(C(=O)NC(C)C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030488018	1	56	0.0	-77.66	417.51	0.99	-76.67
CC[N@H+]1CCOC(C(=O)NC(C)C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030488018	1	56	0.0	-66.88	410.53	0.83	-66.05
CC(NC(=O)C[NH+]1C(C)CCC1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488057	0	58	0.0	-64.26	420.10	1.96	-62.30
CC(NC(=O)CCC[NH+]1CCCC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488060	0	58	0.0	-68.96	430.56	2.34	-66.62
CC(NC(=O)CC[NH+]1CCCCC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488062	0	58	0.0	-72.65	426.10	2.32	-70.33
CC(NC(=O)C[N@H+](C)C1CCC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488095	0	55	0.0	-69.63	408.68	2.00	-67.63
CC(NC(=O)C[N@@H+](C)C1CCC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488095	1	55	0.0	-69.27	408.78	1.90	-67.37
CC(NC(=O)CCC1CCC[N@@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488150	0	58	0.0	-71.50	424.48	2.04	-69.46
CC(NC(=O)CCC1CCC[N@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488150	1	58	0.0	-71.99	430.19	2.51	-69.48
CC(NC(=O)C1CC[NH+](C)CC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488163	0	55	0.0	-71.76	407.34	1.67	-70.09
CC(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488227	0	50	0.0	-72.99	392.72	3.55	-69.44
CC(NC(=O)CC[NH+]1CCOCC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488233	1	56	0.0	-71.88	417.62	-0.08	-71.96
CC1=C[NH+]=CN1CC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488244	1	50	0.0	-70.93	392.32	2.27	-68.66
CC(NC(=O)CC1CC[N@H+](C)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488263	0	55	0.0	-74.23	408.43	1.61	-72.62
CC(NC(=O)CC1CC[N@@H+](C)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488263	1	55	0.0	-72.13	409.38	1.62	-70.51
CCC(C(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030488270	0	54	0.0	-64.80	390.50	1.14	-63.66
CC(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488287	1	50	0.0	-77.52	392.99	3.54	-73.98
CC(NC(=O)CCCC[NH+](C)C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488310	0	57	0.0	-71.39	427.71	2.06	-69.33
CCC[N@H+](C)CCC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488321	0	57	0.0	-70.01	423.94	1.89	-68.12
CCC[N@@H+](C)CCC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488321	1	57	0.0	-73.96	424.16	1.87	-72.09
CCC[N@H+](C)CC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488323	0	54	0.0	-71.54	401.79	1.33	-70.21
CCC[N@@H+](C)CC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488323	1	54	0.0	-71.60	401.79	1.43	-70.17
CC(NC(=O)C12CC[N@H+](C1)CCC2)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488333	0	56	0.0	-74.78	404.74	1.26	-73.52
CC(NC(=O)C12CC[N@@H+](C1)CCC2)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488333	1	56	0.0	-70.23	404.51	1.26	-68.97
CC(NC(=O)[C@H]1CCC[N@@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488354	0	52	0.0	-65.14	387.89	1.08	-64.06
CC(NC(=O)[C@H]1CCC[N@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488354	1	52	0.0	-70.14	382.51	0.57	-69.57
CC[NH+](CC)CC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488379	0	54	0.0	-66.08	393.76	0.99	-65.09
CC(NC(=O)C[NH+]1CCC(C)CC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488425	0	58	0.0	-71.87	425.69	2.51	-69.36
CC(NC(=O)C1(C[NH+](C)C)CC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488440	0	55	0.0	-75.95	406.96	1.61	-74.34
CC(NC(=O)C1CC[NH+](C)CC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488478	0	55	0.0	-71.76	407.34	1.67	-70.09
CCC(C(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](CC)CC	REAL300030488504	0	60	0.0	-61.73	428.69	2.38	-59.35
CC[N@H+](C)CCC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488533	0	54	0.0	-73.25	402.66	1.12	-72.13
CC[N@@H+](C)CCC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488533	1	54	0.0	-69.59	402.44	1.11	-68.48
CC(NC(=O)C[N@@H+]1CCCC1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488554	0	55	0.0	-64.48	401.01	1.31	-63.17
CC(NC(=O)C[N@H+]1CCCC1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488554	1	55	0.0	-68.13	401.21	1.29	-66.84
CC(NC(=O)C[N@@H+]1CCC(C)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488555	0	55	0.0	-70.98	407.76	1.77	-69.21
CC(NC(=O)C[N@H+]1CCC(C)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488555	1	55	0.0	-66.86	408.46	1.66	-65.20
CC(NC(=O)C[N@@H+]1CCC(C)(C)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488557	0	58	0.0	-66.83	427.43	2.18	-64.65
CC(NC(=O)C[N@H+]1CCC(C)(C)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488557	1	58	0.0	-67.45	428.21	2.25	-65.20
CC(NC(=O)C[N@H+](C)CC(C)(C)C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488558	0	60	0.0	-71.23	432.15	2.47	-68.76
CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488558	1	60	0.0	-67.72	432.57	2.55	-65.17
CC[C@@H](C(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030488564	0	54	0.0	-68.14	392.75	1.05	-67.09
CC(NC(=O)C[NH+](C)C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488636	0	48	0.0	-68.17	362.34	-0.07	-68.24
CC(NC(=O)C[NH+]1CCCCCC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488639	0	58	0.0	-70.70	413.64	1.97	-68.73
CC(NC(=O)C[N+]1=CN(C)C=C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488642	0	50	0.0	-66.43	393.57	3.44	-62.99
CC(NC(=O)C1CCC[N@H+](C)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488645	0	55	0.0	-72.56	406.85	1.52	-71.04
CC(NC(=O)C1CCC[N@@H+](C)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488645	1	55	0.0	-72.56	407.12	1.64	-70.92
CC(NC(=O)C1CCC[N@@H+]1C1CC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488649	0	56	0.0	-70.23	414.80	1.91	-68.32
CC(NC(=O)C1CCC[N@H+]1C1CC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488649	1	56	0.0	-63.47	415.35	2.39	-61.08
CC(NC(=O)C(C)[NH+]1CCC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488659	1	52	0.0	-65.12	390.26	1.03	-64.09
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CC(NC(=O)C[NH+]1CCC(O)CC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488677	1	56	0.0	-75.28	415.94	-1.46	-76.74
CC(NC(=O)C[N@H+](C)C1CC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488678	0	52	0.0	-65.33	391.75	1.34	-63.99
CC(NC(=O)C[N@@H+](C)C1CC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488678	1	52	0.0	-65.16	391.60	1.33	-63.83
CC(NC(=O)CC1C[NH+](C)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488690	0	52	0.0	-68.42	393.79	0.74	-67.68
CC(NC(=O)C1CC[N@@H+]1C(C)(C)C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488699	0	58	0.0	-64.52	409.09	0.85	-63.67
CC(NC(=O)C1CC[N@H+]1C(C)(C)C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488699	1	58	0.0	-68.35	423.88	1.69	-66.66
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CC(NC(=O)CC[N@@H+](C)CCO)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488759	1	55	0.0	-72.85	412.91	-2.13	-74.98
CC(NC(=O)[C@H](C)[NH+](C)C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488760	0	51	0.0	-65.43	380.00	0.34	-65.09
CC(NC(=O)[C@H]1CCCC[N@@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488763	0	55	0.0	-66.20	404.77	1.57	-64.63
CC(NC(=O)[C@H]1CCCC[N@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488763	1	55	0.0	-69.06	395.22	1.45	-67.61
CC(NC(=O)C=C1CC[N@H+](C)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488817	0	53	0.0	-75.25	401.44	1.58	-73.67
CC(NC(=O)C=C1CC[N@@H+](C)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488817	1	53	0.0	-72.87	401.65	1.57	-71.30
CC(NC(=O)COCC[NH+](C)C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488834	0	55	0.0	-69.77	418.06	0.98	-68.79
C=CCC(C)(C(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030488845	0	58	0.0	-61.92	416.37	1.96	-59.96
CC(NC(=O)[C@@H](C)[NH+](C)C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488855	0	51	0.0	-69.91	380.82	0.42	-69.49
CC(NC(=O)C[NH+]1CC(C)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488875	1	52	0.0	-67.95	392.42	1.09	-66.86
CC(NC(=O)C[N@H+](C)CCO)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488892	1	52	0.0	-72.24	390.64	-2.65	-74.89
CC(NC(=O)C[N@@H+](C)CCO)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488892	1	52	0.0	-72.14	390.72	-2.56	-74.70
CC[N@@H+]1CCCC(C(=O)NC(C)C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030488908	0	58	0.0	-67.62	425.01	2.29	-65.33
CC[N@H+]1CCCC(C(=O)NC(C)C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030488908	1	58	0.0	-67.11	424.58	2.20	-64.91
CC(CC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300030488910	0	57	0.0	-70.83	419.55	1.89	-68.94
CC[N@H+](C)CC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488913	0	51	0.0	-71.33	380.28	0.69	-70.64
CC[N@@H+](C)CC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488913	1	51	0.0	-71.21	380.29	0.60	-70.61
CC[N@H+](CC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300030488937	0	55	0.0	-67.91	411.15	1.95	-65.96
CC[N@@H+](CC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300030488937	1	55	0.0	-68.66	408.41	1.93	-66.73
CC[NH+](CC)CCC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488945	0	57	0.0	-69.12	415.96	1.54	-67.58
CC(NC(=O)C=C1CC[NH+](C)CC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488953	0	56	0.0	-72.63	416.56	2.37	-70.26
CC(NC(=O)C[N@@H+]1CCC(C)(O)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488976	1	56	0.0	-67.24	418.76	-1.57	-68.81
CC(NC(=O)C[N@H+]1CCC(C)(O)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488976	1	56	0.0	-66.73	418.20	-1.67	-68.40
CC(NC(=O)C=CC[NH+](C)C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488978	0	52	0.0	-71.97	398.30	1.15	-70.82
CC(OCC[NH+](C)C)C(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488984	0	58	0.0	-68.86	437.97	1.67	-67.19
CC(NC(=O)CCOCC[NH+](C)C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488990	0	58	0.0	-68.62	439.01	0.71	-67.91
COCC[N@H+](C)CC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488991	1	55	0.0	-71.67	412.80	-0.25	-71.92
COCC[N@@H+](C)CC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030488991	1	55	0.0	-72.32	412.89	-0.14	-72.46
CC(CCC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030489007	0	57	0.0	-70.06	415.14	1.64	-68.42
CC[N@@H+]1CCC1C(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489013	1	52	0.0	-67.23	394.43	1.02	-66.21
CC[N@H+]1CCC1C(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489013	1	52	0.0	-70.76	393.86	0.92	-69.84
CC(NC(=O)C[N@@H+]1CCCC1CO)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489023	0	56	0.0	-66.72	416.42	-1.58	-68.30
CC(NC(=O)C[N@H+]1CCCC1CO)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489023	1	56	0.0	-70.40	416.70	-1.61	-72.01
C=CCC(C(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030489053	0	55	0.0	-63.82	405.77	1.53	-62.29
CC(NC(=O)C1CC(C)(C)C[N@@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489057	0	58	0.0	-68.89	423.97	2.05	-66.84
CC(NC(=O)C1CC(C)(C)C[N@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489057	1	58	0.0	-67.76	428.08	2.04	-65.72
CC(NC(=O)CCCCC[NH+](C)C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489059	0	60	0.0	-71.13	449.20	2.84	-68.29
CC(NC(=O)C[NH+]1CC2CC2C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489064	0	53	0.0	-67.98	398.11	1.90	-66.08
CCCC(C(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030489076	0	57	0.0	-67.16	414.16	1.80	-65.36
CC(NC(=O)C1CCCC[N@@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489098	0	55	0.0	-68.37	405.04	1.57	-66.80
CC(NC(=O)C1CCCC[N@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489098	1	55	0.0	-69.38	394.90	1.33	-68.05
CC(NC(=O)CC1=CC[N@H+](C)CC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489117	0	56	0.0	-68.35	421.48	2.25	-66.10
CC(NC(=O)CC1=CC[N@@H+](C)CC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489117	1	56	0.0	-69.28	421.71	2.34	-66.94
CC(NC(=O)C=CC[NH+]1CCCC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489144	0	56	0.0	-70.62	422.90	2.21	-68.41
CC(NC(=O)CC[NH+]1CCCC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489167	0	55	0.0	-69.65	409.06	1.53	-68.12
CC(NC(=O)C1C[NH+]2CCN1CC2)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489186	0	55	0.0	-76.52	398.86	-1.60	-78.12
CC(NC(=O)C[N@@H+]1CC2CCC1C2)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489193	0	56	0.0	-65.07	406.34	1.79	-63.28
CC(NC(=O)C[N@H+]1CC2CCC1C2)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489193	1	56	0.0	-68.65	407.17	1.90	-66.75
CC(C[NH+](C)C)C(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489250	0	54	0.0	-69.65	400.73	1.20	-68.45
CC(NC(=O)CC1CCCC[N@@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489286	0	58	0.0	-74.19	421.24	2.11	-72.08
CC(NC(=O)CC1CCCC[N@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489286	1	58	0.0	-70.12	421.36	2.13	-67.99
CC(NC(=O)C(C)[NH+]1CC(C)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489294	1	55	0.0	-65.40	411.54	1.62	-63.78
CC(NC(=O)C[N@@H+]1CCC1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489296	1	52	0.0	-70.39	393.90	1.11	-69.28
CC(NC(=O)C[N@H+]1CCC1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489296	1	52	0.0	-69.49	388.37	0.85	-68.64
CC(NC(=O)CC(O)C[NH+](C)C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489297	0	55	0.0	-73.52	414.83	-1.07	-74.59
CC(NC(=O)C1C[N@H+](C)CC(C)O1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489311	1	56	0.0	-80.65	414.16	0.77	-79.88
CC(NC(=O)C1C[N@@H+](C)CC(C)O1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489311	1	56	0.0	-79.08	414.65	1.19	-77.89
CC(NC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489347	0	55	0.0	-72.35	412.29	1.64	-70.71
CC(CC[NH+](C)C)C(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489351	0	57	0.0	-70.29	422.36	1.83	-68.46
CC(NC(=O)CN1CC[NH+](C)CC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489364	1	57	0.0	-68.35	421.36	-0.57	-68.92
CC(NC(=O)CSC(N)=[NH2+])C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489384	0	46	0.0	-69.99	370.87	-3.21	-73.20
CC(NC(=O)CC1CC=CC[N@@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489403	0	56	0.0	-63.43	408.52	1.91	-61.52
CC(NC(=O)CC1CC=CC[N@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489403	1	56	0.0	-70.83	414.16	2.08	-68.75
CC(NC(=O)[C@@H](C)OCC[NH+](C)C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489413	0	58	0.0	-68.80	438.11	1.78	-67.02
CC(NC(=O)[C@@H]1CCC[N@@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489474	0	52	0.0	-65.68	388.77	1.03	-64.65
CC(NC(=O)CC[N@@H+]1CCC(F)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489480	0	55	0.0	-74.78	417.14	1.82	-72.96
CC(NC(=O)C1CC[N@H+](C)C1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489498	0	55	0.0	-72.23	403.87	1.49	-70.74
CC(NC(=O)C1CC[N@@H+](C)C1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489498	1	55	0.0	-72.23	403.87	1.49	-70.74
CC(NC(=O)CC1COCCN1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489525	0	56	0.0	-63.70	405.94	-0.32	-64.02
CC(NC(=O)CC1COCC[N@@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489525	1	56	0.0	-77.99	412.49	-0.23	-78.22
CC(NC(=O)CC1COCC[N@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489525	1	56	0.0	-77.99	412.49	-0.23	-78.22
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CCC[N@@H+]2C)CC1	REAL300030489690	0	52	0.0	-71.64	387.30	0.93	-70.71
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CCC[N@H+]2C)CC1	REAL300030489690	1	52	0.0	-71.64	387.30	0.93	-70.71
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CN(C)CCO2)CC1	REAL300030489716	0	53	0.0	-81.22	391.60	0.24	-80.98
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2C[N@H+](C)CCO2)CC1	REAL300030489716	1	53	0.0	-76.57	390.71	0.20	-76.37
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2C[N@@H+](C)CCO2)CC1	REAL300030489716	1	53	0.0	-76.57	390.71	0.20	-76.37
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC[NH+]2CCOCC2)CC1	REAL300030489865	1	56	0.0	-81.05	420.93	0.23	-80.82
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C23CCC[NH+]2CCC3)CC1	REAL300030489874	0	56	0.0	-70.28	402.26	1.47	-68.81
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC1	REAL300030489877	1	50	0.0	-72.08	400.05	3.55	-68.53
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC2CC[N@H+](C)C2)CC1	REAL300030489900	0	55	0.0	-71.41	411.86	1.83	-69.58
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC2CC[N@@H+](C)C2)CC1	REAL300030489900	1	55	0.0	-77.79	412.65	1.79	-76.00
CCC(C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030489907	0	54	0.0	-73.30	395.63	1.18	-72.12
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CCCC[NH+](C)C)CC1	REAL300030489940	0	57	0.0	-78.28	431.02	2.35	-75.93
CC(C)C(C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030489954	0	57	0.0	-73.06	406.85	1.58	-71.48
CCC[N@H+](C)CCC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489955	0	57	0.0	-78.83	427.26	2.17	-76.66
CCC[N@@H+](C)CCC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489955	1	57	0.0	-78.76	427.26	2.18	-76.58
CCC[N@H+](C)CC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489958	0	54	0.0	-76.12	404.89	1.56	-74.56
CCC[N@@H+](C)CC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030489958	1	54	0.0	-76.18	404.89	1.57	-74.61
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C23CC[N@H+](C2)CCC3)CC1	REAL300030489971	0	56	0.0	-69.36	399.81	1.06	-68.30
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1	REAL300030489971	1	56	0.0	-85.56	396.33	0.90	-84.66
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[NH+]2CCC(C)CC2)CC1	REAL300030489999	0	58	0.0	-76.71	428.57	2.65	-74.06
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1	REAL300030490037	0	55	0.0	-73.14	414.74	1.73	-71.41
CC[N@H+](C)CCC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030490055	0	54	0.0	-78.03	405.78	1.43	-76.60
CC[N@@H+](C)CCC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030490055	1	54	0.0	-78.03	405.77	1.44	-76.59
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2C[NH+]3CCC2CC3)CC1	REAL300030490067	0	56	0.0	-84.11	403.02	1.68	-82.43
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CC[NH+](C)CC2)CC1	REAL300030490108	0	55	0.0	-81.10	409.58	1.73	-79.37
CC(C)[C@H](C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030490123	0	57	0.0	-66.48	408.32	1.71	-64.77
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2([NH+](C)C)CCC2)CC1	REAL300030490187	0	55	0.0	-76.69	389.97	1.04	-75.65
CCC(C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](CC)CC	REAL300030490215	0	60	0.0	-73.53	426.73	2.59	-70.94
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@@H+]2CCCC2C)CC1	REAL300030490224	0	55	0.0	-66.26	404.17	1.54	-64.72
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@H+]2CCCC2C)CC1	REAL300030490224	1	55	0.0	-66.53	404.30	1.52	-65.01
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030490260	0	58	0.0	-64.86	412.31	2.39	-62.47
CC(C)[N@H+]1CCCC1C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030490260	1	58	0.0	-64.63	420.86	2.08	-62.55
CC(C)[C@@H](C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030490267	0	57	0.0	-67.02	409.43	1.92	-65.10
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@@H+]2CCC(C)C2)CC1	REAL300030490280	0	55	0.0	-75.56	410.86	1.90	-73.66
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@H+]2CCC(C)C2)CC1	REAL300030490280	1	55	0.0	-68.81	410.79	1.85	-66.96
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1	REAL300030490283	0	58	0.0	-69.08	431.21	2.41	-66.67
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1	REAL300030490283	1	58	0.0	-68.73	430.31	2.40	-66.33
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1	REAL300030490284	0	60	0.0	-76.13	435.44	2.71	-73.42
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1	REAL300030490284	1	60	0.0	-76.11	433.52	2.55	-73.56
CC[C@@H](C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030490291	0	54	0.0	-66.60	389.78	0.98	-65.62
CC1=[NH+]C=CN1CC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030490380	1	50	0.0	-71.91	395.05	1.75	-70.16
CC[N@@H+]1CCOC(C(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030490428	1	56	0.0	-87.28	416.08	1.04	-86.24
CC[N@H+]1CCOC(C(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030490428	1	56	0.0	-67.57	409.35	0.90	-66.67
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC1	REAL300030490451	0	50	0.0	-71.93	399.94	3.52	-68.41
CC1=C[NH+]=CN1CC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030490454	1	50	0.0	-75.31	395.42	2.49	-72.82
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	REAL300030490459	0	55	0.0	-73.90	401.52	1.33	-72.57
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1	REAL300030490459	1	55	0.0	-78.80	406.74	1.34	-77.46
CC[C@@H]1[C@@H](C(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300030490461	0	58	0.0	-78.17	419.39	1.69	-76.48
CC[C@@H]1[C@@H](C(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300030490461	1	58	0.0	-77.47	427.80	2.27	-75.20
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[NH+]2C(C)CCC2C)CC1	REAL300030490467	0	58	0.0	-72.32	422.80	2.17	-70.15
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CCC[NH+]2CCCC2)CC1	REAL300030490470	0	58	0.0	-76.66	433.92	2.62	-74.04
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC[NH+]2CCCCC2)CC1	REAL300030490474	0	58	0.0	-77.42	429.67	2.64	-74.78
CC[N@@H+]1CCCCC1C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030490477	0	58	0.0	-65.33	423.91	2.40	-62.93
CC[N@H+]1CCCCC1C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030490477	1	58	0.0	-74.51	415.88	2.03	-72.48
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@H+](C)C2CCC2)CC1	REAL300030490561	0	55	0.0	-74.17	411.91	2.14	-72.03
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@@H+](C)C2CCC2)CC1	REAL300030490561	1	55	0.0	-73.57	411.78	2.14	-71.43
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CC[NH+](C)CC2)CC1	REAL300030490586	0	55	0.0	-81.10	409.58	1.73	-79.37
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	REAL300030490611	0	52	0.0	-73.09	390.78	1.08	-72.01
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	REAL300030490611	1	52	0.0	-69.45	384.24	0.71	-68.74
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030490628	1	54	0.0	-66.82	410.59	1.90	-64.92
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030490628	1	54	0.0	-73.36	417.98	2.39	-70.97
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CCC2CCC[N@@H+]2C)CC1	REAL300030490633	0	58	0.0	-75.49	427.63	2.23	-73.26
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CCC2CCC[N@H+]2C)CC1	REAL300030490633	1	58	0.0	-72.12	432.83	2.70	-69.42
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CCCC[N@@H+]2C)CC1	REAL300030490698	0	55	0.0	-76.24	398.08	1.38	-74.86
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CCCC[N@H+]2C)CC1	REAL300030490698	1	55	0.0	-65.31	404.98	1.68	-63.63
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CC[N@H+](C)C2C)CC1	REAL300030490750	0	55	0.0	-76.76	404.83	1.27	-75.49
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CC[N@@H+](C)C2C)CC1	REAL300030490750	1	55	0.0	-70.10	407.03	1.43	-68.67
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CC[N@@H+]2C(C)(C)C)CC1	REAL300030490802	0	58	0.0	-65.64	426.08	1.83	-63.81
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CC[N@H+]2C(C)(C)C)CC1	REAL300030490802	1	58	0.0	-66.39	426.62	1.82	-64.57
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)[C@H](C)[NH+](C)C)CC1	REAL300030490816	0	51	0.0	-68.06	382.15	0.56	-67.50
C=CCC(C)(C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030490829	0	58	0.0	-75.37	409.54	1.57	-73.80
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC[NH+]2CCCC2)CC1	REAL300030490843	0	55	0.0	-77.50	414.00	1.93	-75.57
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@H+](C)CCO)CC1	REAL300030490852	1	52	0.0	-77.02	393.77	-2.41	-79.43
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@@H+](C)CCO)CC1	REAL300030490852	1	52	0.0	-76.35	393.52	-2.41	-78.76
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC2=CC[N@H+](C)CC2)CC1	REAL300030490901	0	56	0.0	-69.87	424.61	2.53	-67.34
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC2=CC[N@@H+](C)CC2)CC1	REAL300030490901	1	56	0.0	-68.61	424.61	2.53	-66.08
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2(C)CC(O)C[N@@H+]2C)CC1	REAL300030490919	0	56	0.0	-70.25	402.32	-2.75	-73.00
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2(C)CC(O)C[N@H+]2C)CC1	REAL300030490919	1	56	0.0	-71.52	406.60	-2.31	-73.83
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[NH+]2CC(C)C2)CC1	REAL300030490945	1	52	0.0	-76.35	396.96	1.24	-75.11
CC[N@@H+]1CCCC(C(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030490951	0	58	0.0	-71.60	418.16	2.24	-69.36
CC[N@H+]1CCCC(C(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030490951	1	58	0.0	-68.26	418.16	2.44	-65.82
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC2=CC=C[NH+]=C2N)CC1	REAL300030490955	0	51	0.0	-70.91	399.90	-0.00	-70.91
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1	REAL300030490962	0	56	0.0	-76.38	417.61	2.08	-74.30
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CCC[N@H+]2C2CC2)CC1	REAL300030490962	1	56	0.0	-70.74	413.88	2.30	-68.44
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C=CC[NH+]2CCCC2)CC1	REAL300030490983	0	56	0.0	-72.44	426.90	2.59	-69.85
CC[N@H+](C)CC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030491024	0	51	0.0	-75.84	383.39	0.82	-75.02
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CN2CC3C=CC2C3)CC1	REAL300030491055	0	54	0.0	-66.89	404.47	2.04	-64.85
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@@H+]2CC3C=CC2C3)CC1	REAL300030491055	1	54	0.0	-67.62	404.83	2.15	-65.47
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@H+]2CC3C=CC2C3)CC1	REAL300030491055	1	54	0.0	-67.62	404.83	2.15	-65.47
CC(OCC[NH+](C)C)C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030491129	0	58	0.0	-72.49	436.88	1.71	-70.78
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CCOCC[NH+](C)C)CC1	REAL300030491136	0	58	0.0	-76.12	442.48	1.00	-75.12
COCCN(C)CC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030491138	0	55	0.0	-76.07	415.78	-0.02	-76.09
COCC[N@H+](C)CC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030491138	1	55	0.0	-77.33	416.02	-0.01	-77.34
COCC[N@@H+](C)CC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030491138	1	55	0.0	-77.33	416.02	-0.01	-77.34
CC(CCC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030491141	0	57	0.0	-75.48	423.02	1.95	-73.53
CC[N@H+](CC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300030491155	0	55	0.0	-72.95	412.04	2.18	-70.77
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C23CC(C2)C[N@@H+]3C)CC1	REAL300030491180	0	53	0.0	-69.33	392.99	1.24	-68.09
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@@H+]2CC3CCC2C3)CC1	REAL300030491187	0	56	0.0	-67.25	409.47	2.07	-65.18
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@H+]2CC3CCC2C3)CC1	REAL300030491187	1	56	0.0	-67.25	409.47	2.07	-65.18
CC(C[NH+](C)C)C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030491201	0	54	0.0	-78.00	402.10	1.24	-76.76
CC[N@@H+]1CCC1C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030491231	0	52	0.0	-68.55	396.25	1.09	-67.46
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030491239	0	60	0.0	-72.30	429.00	0.60	-71.70
CCCC(C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030491270	0	57	0.0	-74.13	416.92	1.96	-72.17
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C(C)(C)[NH+](C)C)CC1	REAL300030491274	0	54	0.0	-75.71	385.48	0.69	-75.02
CC(CC[NH+](C)C)C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030491287	0	57	0.0	-70.88	424.53	1.87	-69.01
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CC(C)(C)C[N@@H+]2C)CC1	REAL300030491337	0	58	0.0	-73.13	423.96	1.80	-71.33
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CC(C)(C)C[N@H+]2C)CC1	REAL300030491337	1	58	0.0	-73.13	423.96	1.80	-71.33
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CCCCC[NH+](C)C)CC1	REAL300030491339	0	60	0.0	-77.06	452.52	3.13	-73.93
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CN2CCN(C)CC2)CC1	REAL300030491346	0	57	0.0	-70.79	424.47	-0.35	-71.14
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CN2CC[NH+](C)CC2)CC1	REAL300030491346	1	57	0.0	-70.79	424.47	-0.35	-71.14
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CN(C)CC(C)O2)CC1	REAL300030491392	0	56	0.0	-90.66	412.53	0.71	-89.95
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2C[N@H+](C)CC(C)O2)CC1	REAL300030491392	1	56	0.0	-78.59	412.73	1.13	-77.46
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2C[N@@H+](C)CC(C)O2)CC1	REAL300030491392	1	56	0.0	-78.59	412.73	1.13	-77.46
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[NH+]2CC3CC3C2)CC1	REAL300030491419	0	53	0.0	-76.30	400.23	1.99	-74.31
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CCCC[N@@H+]2C)CC1	REAL300030491438	0	55	0.0	-65.31	404.98	1.68	-63.63
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C=C2CC[N@H+](C)C2)CC1	REAL300030491499	0	53	0.0	-73.49	403.23	1.71	-71.78
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C=C2CC[N@@H+](C)C2)CC1	REAL300030491499	1	53	0.0	-73.49	403.23	1.71	-71.78
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CNC2=CC=[NH+]C=C2)CC1	REAL300030491501	0	51	0.0	-76.11	401.38	-0.58	-76.69
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2([NH+](C)C)CCCC2)CC1	REAL300030491552	0	58	0.0	-71.86	400.38	1.59	-70.27
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	REAL300030491570	0	52	0.0	-72.09	390.45	1.06	-71.03
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	REAL300030491570	1	52	0.0	-72.09	390.45	1.06	-71.03
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)CC1	REAL300030491652	0	55	0.0	-75.81	414.41	1.87	-73.94
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2(CC[NH+](C)C)CC2)CC1	REAL300030491660	0	58	0.0	-75.38	439.26	2.59	-72.79
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC2CC=CC[N@@H+]2C)CC1	REAL300030491661	0	56	0.0	-71.65	416.57	2.27	-69.38
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC2CC=CC[N@H+]2C)CC1	REAL300030491661	1	56	0.0	-71.65	416.57	2.27	-69.38
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)COCC[NH+](C)C)CC1	REAL300030491690	0	55	0.0	-75.06	421.53	1.28	-73.78
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CN2C=CSC2=[NH2+])CC1	REAL300030491715	0	48	0.0	-72.08	392.72	0.33	-71.75
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)[C@@H](C)OCC[NH+](C)C)CC1	REAL300030491748	0	58	0.0	-67.52	436.66	1.70	-65.82
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[NH+]2CCCCC2)CC1	REAL300030491773	0	55	0.0	-75.83	407.42	2.03	-73.80
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CCC[N@H+](C)C2)CC1	REAL300030491774	0	55	0.0	-74.19	399.68	1.56	-72.63
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CCC[N@@H+](C)C2)CC1	REAL300030491774	1	55	0.0	-78.39	409.89	1.71	-76.68
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[NH+]2CCCCCC2)CC1	REAL300030491775	0	58	0.0	-75.63	416.84	2.20	-73.43
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N+]2=CN(C)C=C2)CC1	REAL300030491778	0	50	0.0	-73.73	396.89	3.67	-70.06
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[NH+]2CCC(O)CC2)CC1	REAL300030491797	0	56	0.0	-80.21	418.49	-1.33	-81.54
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@@H+](C)C2CC2)CC1	REAL300030491798	1	52	0.0	-72.78	394.96	1.56	-71.22
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC[N@H+]2CCC(F)C2)CC1	REAL300030491801	1	55	0.0	-79.27	420.18	2.01	-77.26
CC(CC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300030491820	0	57	0.0	-77.91	422.96	2.23	-75.68
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC2COCCN2C)CC1	REAL300030491839	0	56	0.0	-74.54	416.03	0.03	-74.51
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC2COCC[N@@H+]2C)CC1	REAL300030491839	1	56	0.0	-82.72	416.01	0.03	-82.69
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC2COCC[N@H+]2C)CC1	REAL300030491839	1	56	0.0	-74.54	416.03	0.03	-74.51
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030491875	1	51	0.0	-69.06	396.39	-0.57	-69.63
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@@H+]2CCC(C)(O)C2)CC1	REAL300030491902	0	56	0.0	-70.23	421.65	-1.43	-71.66
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@H+]2CCC(C)(O)C2)CC1	REAL300030491902	1	56	0.0	-74.40	421.30	-1.44	-75.84
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC2C[NH+](C)C2)CC1	REAL300030491925	0	52	0.0	-77.44	396.95	1.03	-76.41
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[NH+](C)C)CC1	REAL300030491934	0	48	0.0	-76.51	365.66	0.16	-76.35
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC[N@H+](C)CCO)CC1	REAL300030491949	0	55	0.0	-77.45	416.12	-1.79	-79.24
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC[N@@H+](C)CCO)CC1	REAL300030491949	1	55	0.0	-77.32	416.10	-1.82	-79.14
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)[C@H](C)[NH+](C)C)CC1	REAL300030491950	0	51	0.0	-68.06	382.15	0.56	-67.50
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC2CCCC[N@@H+]2C)CC1	REAL300030491964	0	58	0.0	-69.25	417.16	2.27	-66.98
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC2CCCC[N@H+]2C)CC1	REAL300030491964	1	58	0.0	-67.60	417.17	2.27	-65.33
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C(C)[NH+]2CC(C)C2)CC1	REAL300030491974	0	55	0.0	-66.27	414.40	1.66	-64.61
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@@H+]2CCC2C)CC1	REAL300030491976	0	52	0.0	-73.35	391.75	1.05	-72.30
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@H+]2CCC2C)CC1	REAL300030491976	1	52	0.0	-68.15	396.76	1.25	-66.90
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C=CC[NH+](C)C)CC1	REAL300030491982	0	52	0.0	-73.54	401.82	1.42	-72.12
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1	REAL300030491988	1	55	0.0	-69.48	415.83	1.72	-67.76
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@@H+]2CCCC2CO)CC1	REAL300030492023	0	56	0.0	-75.13	420.53	-1.29	-76.42
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@H+]2CCCC2CO)CC1	REAL300030492023	1	56	0.0	-66.66	411.34	-1.29	-67.95
CC[NH+](CC)CC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030492027	0	54	0.0	-74.02	401.64	1.51	-72.51
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[NH+]2CCC2)CC1	REAL300030492036	1	49	0.0	-69.63	375.54	0.57	-69.06
CC[NH+](CC)CCC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030492064	0	57	0.0	-77.32	419.26	1.85	-75.47
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C(C)[NH+]2CCC2)CC1	REAL300030492116	0	52	0.0	-66.42	393.43	1.05	-65.37
CCC(CC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300030492121	0	60	0.0	-78.46	436.69	2.68	-75.78
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C(C)(C)C[NH+](C)C)CC1	REAL300030492126	0	57	0.0	-74.73	396.64	1.60	-73.13
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1	REAL300030492158	0	55	0.0	-65.23	405.93	1.76	-63.47
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1	REAL300030492158	1	55	0.0	-66.48	394.80	1.22	-65.26
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC(O)C[NH+](C)C)CC1	REAL300030492179	0	55	0.0	-81.11	418.36	-0.81	-81.92
C=CCC(C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030492200	0	55	0.0	-74.01	409.43	1.71	-72.30
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2(C)CC[NH+](C)CC2)CC1	REAL300030492212	0	58	0.0	-72.91	413.33	1.64	-71.27
C[N@@H+]1CCCC1C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030492421	0	52	0.0	-67.91	387.91	4.59	-63.32
C[N@H+]1CCCC1C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030492421	1	52	0.0	-70.19	400.34	4.44	-65.75
C[N@@H+]1CCOC(C(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030492445	1	53	0.0	-79.62	404.06	3.56	-76.06
C[N@H+]1CCOC(C(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030492445	1	53	0.0	-71.16	398.56	4.46	-66.70
CC(C)[N@@H+]1CCCC1C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030492601	0	58	0.0	-69.22	432.71	5.40	-63.82
CC(C)[N@H+]1CCCC1C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030492601	1	58	0.0	-65.76	420.35	6.28	-59.48
CC1=[NH+]C=CN1CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030492634	1	50	0.0	-68.69	403.17	4.98	-63.71
O=C(NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+]2CCC1CC2	REAL300030492662	0	56	0.0	-80.38	415.10	5.16	-75.22
C[C@@H]1[C@H](C(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030492696	0	55	0.0	-71.94	403.73	5.08	-66.86
C[C@@H]1[C@H](C(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030492696	1	55	0.0	-75.05	415.93	4.65	-70.40
CC[C@@H]1[C@@H](C(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030492698	0	58	0.0	-75.50	429.93	4.90	-70.60
CC[C@@H]1[C@@H](C(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030492698	1	58	0.0	-69.01	425.79	6.16	-62.85
CC[N@@H+]1CCOC(C(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030492705	1	56	0.0	-85.93	428.97	4.38	-81.55
CC[N@H+]1CCOC(C(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030492705	1	56	0.0	-78.71	422.12	4.29	-74.42
CC[NH+](CC)CC(F)C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030492733	0	57	0.0	-74.40	432.71	4.97	-69.43
CC1CCC(C)[NH+]1CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030492769	0	58	0.0	-68.76	430.59	5.29	-63.47
O=C(CCC[NH+]1CCCC1)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030492772	0	58	0.0	-58.79	437.86	6.57	-52.22
O=C(CC[NH+]1CCCCC1)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030492775	0	58	0.0	-75.07	437.35	5.68	-69.39
CC[N@@H+]1CCCCC1C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030492778	0	58	0.0	-68.68	433.01	5.48	-63.20
CC[N@H+]1CCCCC1C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030492778	1	58	0.0	-59.73	430.89	5.62	-54.11
C[NH+](C)C1(C(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300030492789	0	55	0.0	-69.68	408.12	4.88	-64.80
CC(C)[C@@H](C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030492796	0	57	0.0	-70.89	422.69	5.44	-65.45
C[N@H+](CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030492821	0	55	0.0	-71.03	420.03	5.26	-65.77
C[N@@H+](CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030492821	1	55	0.0	-54.04	414.13	6.01	-48.03
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030492897	1	54	0.0	-71.96	420.66	5.15	-66.81
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030492897	1	54	0.0	-69.52	420.54	6.49	-63.03
C[N@@H+]1CCCC1CCC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030492902	0	58	0.0	-75.34	437.29	5.72	-69.62
C[N@H+]1CCCC1CCC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030492902	1	58	0.0	-60.08	430.23	6.15	-53.93
C[NH+]1CCC(C(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030492922	0	55	0.0	-79.83	418.39	4.94	-74.89
C[N@@H+]1CCCCC1C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030492961	0	55	0.0	-70.50	406.32	4.82	-65.68
C[N@H+]1CCCCC1C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030492961	1	55	0.0	-52.38	409.77	5.61	-46.77
O=C(NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN2C=[NH+]C=C2C=C1	REAL300030493031	0	50	0.0	-71.74	398.34	7.69	-64.05
O=C(CC[NH+]1CCOCC1)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030493038	1	56	0.0	-59.12	423.29	4.04	-55.08
CC1=C[NH+]=CN1CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030493051	1	50	0.0	-73.58	402.52	5.58	-68.00
O=C(NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[NH+]1CCC2	REAL300030493072	0	56	0.0	-67.32	408.07	5.99	-61.33
C[N@@H+]1CCC(CC(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030493083	0	55	0.0	-73.64	414.79	5.62	-68.02
C[N@H+]1CCC(CC(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030493083	1	55	0.0	-60.69	414.67	5.75	-54.94
CN(C)C1=CC=[NH+]C=C1C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030493089	0	54	0.0	-54.99	418.09	4.94	-50.05
CCC(C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030493091	0	54	0.0	-71.89	407.22	4.44	-67.45
O=C(NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC2=C[NH+]=CN2C=C1	REAL300030493118	1	50	0.0	-77.05	404.16	6.89	-70.16
C[NH+](C)CCCCC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030493150	0	57	0.0	-77.79	439.19	5.42	-72.37
CC(C)C(C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030493164	0	57	0.0	-72.22	422.30	5.37	-66.85
CCC[N@H+](C)CCC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030493165	0	57	0.0	-76.59	435.40	5.23	-71.36
CCC[N@@H+](C)CCC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030493165	1	57	0.0	-74.59	435.34	5.33	-69.26
CCC[N@H+](C)CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030493169	0	54	0.0	-73.44	413.03	4.68	-68.76
CCC[N@@H+](C)CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030493169	1	54	0.0	-55.74	407.24	5.45	-50.29
O=C(NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@H+](C1)CCC2	REAL300030493184	0	56	0.0	-73.21	406.44	5.41	-67.80
O=C(NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@@H+](C1)CCC2	REAL300030493184	1	56	0.0	-79.25	414.59	4.70	-74.55
C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030493210	0	52	0.0	-69.46	387.87	4.73	-64.73
C[N@H+]1CCC[C@@H]1C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030493210	1	52	0.0	-68.07	391.69	5.04	-63.03
CC[NH+](CC)CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030493245	0	54	0.0	-71.79	409.44	4.60	-67.19
CC1CC[NH+](CC(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030493306	0	58	0.0	-72.70	436.07	5.77	-66.93
C[NH+](C)CC1(C(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030493328	0	55	0.0	-68.88	418.65	5.28	-63.60
C[NH+]1CCC(C(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030493381	0	55	0.0	-79.83	418.39	4.94	-74.89
CC(C)[C@H](C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030493397	0	57	0.0	-72.18	421.30	5.52	-66.66
CCC(C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030493425	0	60	0.0	-66.67	438.91	5.59	-61.08
CC[N@H+](C)CCC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030493466	0	54	0.0	-75.83	413.90	4.48	-71.35
CC[N@@H+](C)CCC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030493466	1	54	0.0	-73.90	413.84	4.59	-69.31
CC1CCC[N@@H+]1CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030493496	0	55	0.0	-71.02	418.62	5.15	-65.87
CC1CCC[N@H+]1CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030493496	1	55	0.0	-70.84	418.77	4.95	-65.89
CC1CC[N@H+](CC(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030493498	0	55	0.0	-72.03	420.32	5.02	-67.01
CC1CC[N@@H+](CC(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030493498	1	55	0.0	-73.89	419.07	5.10	-68.79
CC1(C)CC[N@H+](CC(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030493502	0	58	0.0	-69.61	433.61	6.41	-63.20
CC1(C)CC[N@@H+](CC(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030493502	1	58	0.0	-73.76	438.58	5.59	-68.17
C[N@H+](CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030493503	0	60	0.0	-73.06	444.08	5.94	-67.12
C[N@@H+](CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030493503	1	60	0.0	-73.63	443.76	5.82	-67.81
CC[C@@H](C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030493511	0	54	0.0	-56.78	397.54	5.21	-51.57
C[NH+](C)CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030493615	0	48	0.0	-73.79	373.83	3.28	-70.51
O=C(C[NH+]1CCCCCC1)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030493619	0	58	0.0	-53.99	419.33	6.08	-47.91
CN1C=C[N+](CC(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030493622	0	50	0.0	-70.96	405.06	6.79	-64.17
C[N@@H+]1CCCC(C(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030493627	0	55	0.0	-74.82	418.34	4.99	-69.83
C[N@H+]1CCCC(C(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030493627	1	55	0.0	-75.25	418.31	4.88	-70.37
O=C(NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@@H+]1C1CC1	REAL300030493632	0	56	0.0	-66.48	425.60	6.71	-59.77
O=C(NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@H+]1C1CC1	REAL300030493632	1	56	0.0	-54.52	418.35	5.86	-48.66
CC(C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030493648	1	52	0.0	-72.18	404.16	4.38	-67.80
CCC(CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030493652	0	60	0.0	-77.37	445.03	5.76	-71.61
C[NH+](C)CC(C)(C)C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030493657	0	57	0.0	-56.78	405.85	5.58	-51.20
O=C(C[NH+]1CCC(O)CC1)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030493672	1	56	0.0	-78.95	427.18	1.88	-77.07
C[N@H+](CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030493673	0	52	0.0	-70.93	403.22	4.68	-66.25
C[N@@H+](CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030493673	1	52	0.0	-69.26	397.60	5.60	-63.66
C[NH+]1CC(CC(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030493689	0	52	0.0	-75.38	405.27	4.10	-71.28
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030493700	0	58	0.0	-73.12	417.61	4.89	-68.23
CC(C)(C)[N@H+]1CCC1C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030493700	1	58	0.0	-70.42	420.53	4.36	-66.06
C[C@@H](C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030493711	0	51	0.0	-57.13	385.39	4.26	-52.87
[NH2+]=C1SC=CN1CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030493770	0	48	0.0	-54.37	395.08	4.22	-50.15
C[N@H+](CCO)CCC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030493777	0	55	0.0	-73.54	424.19	1.36	-72.18
C[N@@H+](CCO)CCC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030493777	1	55	0.0	-75.17	424.02	1.27	-73.90
C[C@@H](C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030493778	0	51	0.0	-57.13	385.39	4.26	-52.87
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030493782	0	55	0.0	-70.43	406.25	4.81	-65.62
C[N@H+]1CCCC[C@@H]1C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030493782	1	55	0.0	-65.95	409.63	5.68	-60.27
O=C(C[NH+]1CCC1)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030493832	1	49	0.0	-55.69	378.36	4.57	-51.12
C[N@@H+]1CCC(=CC(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030493851	0	53	0.0	-77.44	411.64	4.93	-72.51
C[N@H+]1CCC(=CC(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030493851	1	53	0.0	-63.24	405.90	5.62	-57.62
C[NH+](C)CCOCC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030493874	0	55	0.0	-73.75	429.70	4.33	-69.42
C=CCC(C)(C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030493888	0	58	0.0	-67.04	428.74	5.33	-61.71
C[S+](C)CCC(O)C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030493892	0	54	0.0	-82.19	438.68	2.92	-79.27
C[N@@H+]1CC(O)CC1(C)C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030493911	0	56	0.0	-52.55	413.29	1.91	-50.64
CC1CN(CC(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030493930	0	52	0.0	-55.67	399.54	5.24	-50.43
CC1C[NH+](CC(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030493930	1	52	0.0	-55.67	399.54	5.24	-50.43
CN(CCO)CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030493948	0	52	0.0	-74.63	401.89	0.71	-73.92
C[N@H+](CCO)CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030493948	1	52	0.0	-72.60	401.88	0.79	-71.81
C[N@@H+](CCO)CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030493948	1	52	0.0	-72.60	401.88	0.79	-71.81
CC[N@@H+]1CCCC(C(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030493968	0	58	0.0	-73.14	436.00	5.64	-67.50
CC[N@H+]1CCCC(C(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030493968	1	58	0.0	-73.14	436.00	5.64	-67.50
CC(CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030493970	0	57	0.0	-76.70	431.01	5.28	-71.42
CC[N@H+](C)CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030493975	0	51	0.0	-73.20	391.54	3.94	-69.26
CC[N@H+](CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030494008	0	55	0.0	-69.56	420.06	5.39	-64.17
CC[NH+](CC)CCC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494018	0	57	0.0	-74.99	431.12	5.17	-69.82
CC1(C)CN(CC(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030494036	0	55	0.0	-73.96	424.48	4.96	-69.00
CC1(C)C[NH+](CC(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030494036	1	55	0.0	-73.96	424.48	4.96	-69.00
CC1(O)CC[N@H+](CC(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030494054	0	56	0.0	-73.77	430.47	1.78	-71.99
C[NH+](C)CC=CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494058	0	52	0.0	-79.60	409.79	4.49	-75.11
CC(OCC[NH+](C)C)C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494067	0	58	0.0	-70.85	449.48	5.01	-65.84
C[NH+](C)CCOCCC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494073	0	58	0.0	-76.16	450.65	4.07	-72.09
COCCN(C)CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494074	0	55	0.0	-72.34	424.14	3.19	-69.15
COCC[N@H+](C)CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494074	1	55	0.0	-74.93	424.14	3.11	-71.82
COCC[N@@H+](C)CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494074	1	55	0.0	-74.93	424.14	3.11	-71.82
C[NH+](C)C1(C(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030494094	0	58	0.0	-69.61	419.26	6.40	-63.21
CC(CCC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030494096	0	57	0.0	-79.56	426.69	4.99	-74.57
CCN1CCC1C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494102	0	52	0.0	-54.49	399.89	5.10	-49.39
CC[N@@H+]1CCC1C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494102	1	52	0.0	-70.54	398.13	3.97	-66.57
CC[N@H+]1CCC1C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494102	1	52	0.0	-70.54	398.13	3.97	-66.57
O=C(C[N@H+]1CCCC1CO)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494115	0	56	0.0	-73.81	422.98	1.29	-72.52
C[NH+]1CCC(C)(C(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030494137	0	58	0.0	-67.46	426.45	5.49	-61.97
C=CCC(C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030494156	0	55	0.0	-72.46	421.40	4.96	-67.50
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494163	0	58	0.0	-71.36	439.08	5.45	-65.91
C[N@H+]1CC(C)(C)CC1C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494163	1	58	0.0	-71.36	439.08	5.45	-65.91
C[NH+](C)CCCCCC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494165	0	60	0.0	-77.12	460.69	6.19	-70.93
CCCC(C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030494186	0	57	0.0	-72.39	428.72	5.20	-67.19
C[NH+](C)C(C)(C)C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494189	0	54	0.0	-50.61	388.93	4.98	-45.63
C[N@@H+]1CCCCC1C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494215	0	55	0.0	-52.38	409.77	5.61	-46.77
C[N@H+]1CC=C(CC(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030494239	0	56	0.0	-69.92	427.30	6.53	-63.39
C[N@@H+]1CC=C(CC(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030494239	1	56	0.0	-69.92	427.30	6.53	-63.39
O=C(C=CC[NH+]1CCCC1)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494279	0	56	0.0	-75.79	436.04	5.79	-70.00
O=C(CC[NH+]1CCCC1)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494312	0	55	0.0	-73.38	422.07	5.10	-68.28
C[N@@H+]1CC2CC1(C(=O)NC1CC1C1CCCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030494341	0	53	0.0	-79.48	403.73	4.63	-74.85
O=C(C[N@@H+]1CC2CCC1C2)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494348	0	56	0.0	-52.78	414.59	6.15	-46.63
O=C(C[N@H+]1CC2CCC1C2)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494348	1	56	0.0	-52.78	414.59	6.15	-46.63
O=C(CN1CC2C=CC1C2)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494388	0	54	0.0	-52.84	407.07	6.01	-46.83
O=C(C[N@@H+]1CC2C=CC1C2)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494388	1	54	0.0	-72.06	413.18	5.27	-66.79
O=C(C[N@H+]1CC2C=CC1C2)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494388	1	54	0.0	-72.06	413.18	5.27	-66.79
CC(C[NH+](C)C)C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494420	0	54	0.0	-75.79	412.15	4.54	-71.25
C[N@@H+]1CCCCC1CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494470	0	58	0.0	-68.27	425.47	5.42	-62.85
C[N@H+]1CCCCC1CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494470	1	58	0.0	-68.27	425.47	5.42	-62.85
CC1CCN1CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494482	0	52	0.0	-71.22	400.17	4.16	-67.06
CC1CC[N@@H+]1CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494482	1	52	0.0	-54.48	394.03	4.94	-49.54
CC1CC[N@H+]1CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494482	1	52	0.0	-54.48	394.03	4.94	-49.54
C[NH+](C)CC(O)CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494485	0	55	0.0	-80.02	426.33	2.28	-77.74
CC1CN(C)CC(C(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030494505	0	56	0.0	-57.72	415.38	4.67	-53.05
CC1C[N@H+](C)CC(C(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030494505	1	56	0.0	-63.22	419.75	5.15	-58.07
CC1C[N@@H+](C)CC(C(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030494505	1	56	0.0	-63.22	419.75	5.15	-58.07
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030494552	0	55	0.0	-75.17	423.28	5.09	-70.08
CC(CC[NH+](C)C)C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494558	0	57	0.0	-75.53	433.87	5.16	-70.37
CN1CCN(CC(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030494577	0	57	0.0	-73.24	433.07	2.89	-70.35
C[NH+]1CCN(CC(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030494577	1	57	0.0	-73.24	433.07	2.89	-70.35
NC(=[NH2+])SCC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494601	0	46	0.0	-77.15	382.36	0.15	-77.00
C[NH+](C)CCC1(C(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030494630	0	58	0.0	-71.56	445.07	6.20	-65.36
C[N@@H+]1CC=CCC1CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494631	0	56	0.0	-67.72	414.34	6.19	-61.53
C[N@H+]1CC=CCC1CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494631	1	56	0.0	-67.72	414.34	6.19	-61.53
C[C@@H](OCC[NH+](C)C)C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494644	0	58	0.0	-73.21	449.71	5.07	-68.14
CCC1C[NH+](CC(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030494730	1	55	0.0	-56.25	420.91	5.99	-50.26
C[N@H+]1CCC[C@H]1C(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494735	1	52	0.0	-73.31	393.63	3.90	-69.41
O=C(CC[N@@H+]1CCC(F)C1)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494741	1	55	0.0	-76.62	428.66	5.20	-71.42
O=C(C[NH+]1CCCCC1)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494754	0	55	0.0	-54.59	409.73	5.91	-48.68
CC1C(C(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030494760	0	55	0.0	-58.11	414.57	5.44	-52.67
CC1C(C(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030494760	1	55	0.0	-77.20	416.34	4.53	-72.67
CN1CCOCC1CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494789	0	56	0.0	-70.66	416.58	2.91	-67.75
C[N@@H+]1CCOCC1CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494789	1	56	0.0	-59.09	418.61	3.97	-55.12
C[N@H+]1CCOCC1CC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494789	1	56	0.0	-70.66	416.58	2.91	-67.75
C[N@@H+]1CCCC1C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030494960	0	52	0.0	-63.70	392.86	5.09	-58.61
C[N@H+]1CCCC1C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030494960	1	52	0.0	-64.34	389.70	4.81	-59.53
C[N@@H+]1CCOC(C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030494986	1	53	0.0	-84.66	410.33	3.75	-80.91
C[N@H+]1CCOC(C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030494986	1	53	0.0	-86.96	404.60	4.57	-82.39
O=C(CC[NH+]1CCOCC1)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030495139	1	56	0.0	-76.28	431.83	3.54	-72.74
O=C(NC1CC1C1CCCN(C(=O)C23CCC[NH+]2CCC3)C1)C1=CC(=O)[N-]O1	REAL300030495151	0	56	0.0	-66.30	413.31	4.79	-61.51
O=C(NC1CC1C1CCCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1)C1=CC(=O)[N-]O1	REAL300030495157	1	50	0.0	-73.27	400.15	7.48	-65.79
C[N@@H+]1CCC(CC(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030495188	0	55	0.0	-69.84	417.59	5.97	-63.87
C[N@H+]1CCC(CC(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030495188	1	55	0.0	-73.86	423.29	5.15	-68.71
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030495194	0	54	0.0	-58.53	429.82	3.22	-55.31
CCC(C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030495196	0	54	0.0	-67.14	401.56	4.30	-62.84
C[NH+](C)CCCCC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030495234	0	57	0.0	-74.38	441.92	5.65	-68.73
CC(C)C(C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030495250	0	57	0.0	-71.23	419.81	5.04	-66.19
CCC[N@H+](C)CCC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030495251	0	57	0.0	-75.50	438.54	5.51	-69.99
CCC[N@@H+](C)CCC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030495251	1	57	0.0	-69.22	432.73	6.27	-62.95
CCC[N@H+](C)CC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030495255	0	54	0.0	-71.38	416.16	4.91	-66.47
CCC[N@@H+](C)CC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030495255	1	54	0.0	-71.68	415.79	4.88	-66.80
O=C(NC1CC1C1CCCN(C(=O)C23CC[N@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300030495270	0	56	0.0	-70.51	404.55	5.12	-65.39
O=C(NC1CC1C1CCCN(C(=O)C23CC[N@@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300030495270	1	56	0.0	-70.35	404.69	5.12	-65.23
CC1CC[NH+](CC(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030495303	0	58	0.0	-72.04	439.46	5.97	-66.07
C[NH+](C)CC1(C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030495344	0	55	0.0	-72.37	424.57	5.04	-67.33
CC[N@H+](C)CCC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030495363	0	54	0.0	-74.68	417.03	4.77	-69.91
CC[N@@H+](C)CCC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030495363	1	54	0.0	-68.48	411.23	5.54	-62.94
O=C(NC1CC1C1CCCN(C(=O)C2C[NH+]3CCC2CC3)C1)C1=CC(=O)[N-]O1	REAL300030495381	0	56	0.0	-80.10	408.52	5.77	-74.33
C[NH+]1CCC(C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030495430	0	55	0.0	-61.23	420.83	5.08	-56.15
CC(C)[C@H](C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030495446	0	57	0.0	-70.09	415.98	5.03	-65.06
CC[NH+](CC)CC(F)C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030495506	0	57	0.0	-73.01	437.42	5.40	-67.61
C[NH+](C)C1(C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300030495527	0	55	0.0	-71.98	400.92	4.37	-67.61
CCC(C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030495555	0	60	0.0	-64.77	437.39	5.63	-59.14
CC1CCC[N@@H+]1CC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030495566	0	55	0.0	-63.85	409.82	5.70	-58.15
CC1CCC[N@H+]1CC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030495566	1	55	0.0	-64.37	416.22	6.09	-58.28
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030495612	0	58	0.0	-68.46	427.62	5.87	-62.59
CC(C)[N@H+]1CCCC1C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030495612	1	58	0.0	-64.92	421.76	6.61	-58.31
CC(C)[C@@H](C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030495621	0	57	0.0	-70.65	419.20	5.16	-65.49
CC1CC[N@H+](CC(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030495635	0	55	0.0	-63.90	416.48	5.94	-57.96
CC1CC[N@@H+](CC(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030495635	1	55	0.0	-66.64	417.08	6.02	-60.62
CC1(C)CC[N@H+](CC(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030495639	0	58	0.0	-70.62	441.68	5.73	-64.89
CC1(C)CC[N@@H+](CC(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030495639	1	58	0.0	-66.38	436.12	6.58	-59.80
C[N@H+](CC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030495640	0	60	0.0	-71.52	444.77	5.90	-65.62
C[N@@H+](CC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030495640	1	60	0.0	-71.17	446.71	6.06	-65.11
CC[C@@H](C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030495648	0	54	0.0	-70.26	406.53	4.47	-65.79
CC1=[NH+]C=CN1CC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030495769	1	50	0.0	-68.26	406.34	5.11	-63.15
CC[N@@H+]1CCOC(C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030495833	1	56	0.0	-71.78	414.77	5.01	-66.77
CC[N@H+]1CCOC(C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030495833	1	56	0.0	-71.32	413.98	4.96	-66.36
O=C(NC1CC1C1CCCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300030495863	0	50	0.0	-68.72	400.98	7.48	-61.24
CC1=C[NH+]=CN1CC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030495866	1	50	0.0	-70.38	406.69	5.85	-64.53
C[C@@H]1[C@H](C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030495873	0	55	0.0	-70.99	406.35	5.74	-65.25
C[C@@H]1[C@H](C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030495873	1	55	0.0	-67.69	413.04	5.54	-62.15
CC[C@@H]1[C@@H](C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030495875	0	58	0.0	-74.92	429.92	5.03	-69.89
CC[C@@H]1[C@@H](C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030495875	1	58	0.0	-74.42	435.34	5.37	-69.05
CC1CCC(C)[NH+]1CC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030495882	0	58	0.0	-67.99	434.06	5.51	-62.48
O=C(CCC[NH+]1CCCC1)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030495885	0	58	0.0	-74.18	445.11	5.96	-68.22
O=C(CC[NH+]1CCCCC1)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030495889	0	58	0.0	-73.81	440.87	5.97	-67.84
CC[N@@H+]1CCCCC1C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030495892	0	58	0.0	-61.68	418.24	5.96	-55.72
CC[N@H+]1CCCCC1C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030495892	1	58	0.0	-66.14	433.87	5.63	-60.51
C[N@H+](CC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030495990	0	55	0.0	-69.07	423.03	5.49	-63.58
C[N@@H+](CC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030495990	1	55	0.0	-69.17	423.16	5.49	-63.68
C[NH+]1CCC(C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030496021	0	55	0.0	-61.23	420.83	5.08	-56.15
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496051	0	52	0.0	-67.28	389.60	4.84	-62.44
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496051	1	52	0.0	-64.21	393.86	5.15	-59.06
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496069	1	54	0.0	-64.10	416.31	6.02	-58.08
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496069	1	54	0.0	-70.78	423.59	6.54	-64.24
C[N@@H+]1CCCC1CCC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496074	0	58	0.0	-77.71	444.33	6.04	-71.67
C[N@H+]1CCCC1CCC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496074	1	58	0.0	-71.50	438.55	5.57	-65.93
C[N@@H+]1CCCCC1C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496148	0	55	0.0	-60.58	410.90	5.78	-54.80
C[N@H+]1CCCCC1C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496148	1	55	0.0	-65.07	410.78	5.85	-59.22
CC1C(C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030496206	0	55	0.0	-65.45	411.88	5.60	-59.85
CC1C(C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030496206	1	55	0.0	-65.66	408.46	5.39	-60.27
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496262	0	58	0.0	-68.73	438.36	5.21	-63.52
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496262	1	58	0.0	-63.21	411.81	5.19	-58.02
C[C@@H](C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030496276	0	51	0.0	-69.90	393.32	3.89	-66.01
C=CCC(C)(C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030496290	0	58	0.0	-56.54	424.85	5.24	-51.30
O=C(CC[NH+]1CCCC1)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496307	0	55	0.0	-74.10	425.27	5.28	-68.82
C[N@H+](CCO)CC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496316	1	52	0.0	-72.08	405.02	0.94	-71.14
C[N@@H+](CCO)CC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496316	1	52	0.0	-71.86	404.50	0.91	-70.95
C[N@H+]1CC=C(CC(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030496374	0	56	0.0	-71.10	435.71	5.86	-65.24
C[N@@H+]1CC=C(CC(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030496374	1	56	0.0	-68.55	436.13	5.89	-62.66
C[S+](C)CCC(O)C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496384	0	54	0.0	-56.75	438.24	2.96	-53.79
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496397	0	56	0.0	-62.45	412.11	1.67	-60.78
C[N@H+]1CC(O)CC1(C)C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496397	1	56	0.0	-57.53	409.92	1.49	-56.04
CC1C[NH+](CC(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030496427	1	52	0.0	-71.87	408.20	4.60	-67.27
CC[N@@H+]1CCCC(C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030496433	0	58	0.0	-63.75	429.63	5.76	-57.99
CC[N@H+]1CCCC(C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030496433	1	58	0.0	-55.61	429.63	5.76	-49.85
NC1=[NH+]C=CC=C1CC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496437	0	51	0.0	-67.85	411.17	3.36	-64.49
O=C(NC1CC1C1CCCN(C(=O)C2CCC[N@@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300030496445	0	56	0.0	-63.56	421.34	6.25	-57.31
O=C(NC1CC1C1CCCN(C(=O)C2CCC[N@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300030496445	1	56	0.0	-68.54	423.41	5.25	-63.29
O=C(C=CC[NH+]1CCCC1)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496475	0	56	0.0	-77.00	437.75	5.90	-71.10
CC[N@H+](C)CC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496520	0	51	0.0	-71.12	394.67	4.18	-66.94
O=C(CN1CC2C=CC1C2)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496555	0	54	0.0	-65.14	410.65	6.29	-58.85
O=C(C[N@@H+]1CC2C=CC1C2)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496555	1	54	0.0	-69.62	416.64	5.47	-64.15
O=C(C[N@H+]1CC2C=CC1C2)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496555	1	54	0.0	-69.62	416.64	5.47	-64.15
CC(OCC[NH+](C)C)C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496642	0	58	0.0	-72.39	448.74	5.05	-67.34
C[NH+](C)CCOCCC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496649	0	58	0.0	-74.43	453.75	4.34	-70.09
COCCN(C)CC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496651	0	55	0.0	-71.65	426.76	3.31	-68.34
COCC[N@H+](C)CC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496651	1	55	0.0	-72.38	427.27	3.34	-69.04
COCC[N@@H+](C)CC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496651	1	55	0.0	-72.38	427.27	3.34	-69.04
CC(CCC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030496654	0	57	0.0	-78.67	430.58	5.28	-73.39
CC[N@H+](CC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030496670	0	55	0.0	-68.82	423.31	5.53	-63.29
C[N@@H+]1CC2CC1(C(=O)N1CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030496697	0	53	0.0	-71.10	403.51	4.39	-66.71
O=C(C[N@@H+]1CC2CCC1C2)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496706	0	56	0.0	-68.59	420.73	5.39	-63.20
O=C(C[N@H+]1CC2CCC1C2)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496706	1	56	0.0	-68.59	420.73	5.39	-63.20
CC(C[NH+](C)C)C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496721	0	54	0.0	-75.74	414.60	4.60	-71.14
CCN1CCC1C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496758	0	52	0.0	-66.52	402.18	5.24	-61.28
CC[N@@H+]1CCC1C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496758	1	52	0.0	-65.69	402.17	5.22	-60.47
CC[N@H+]1CCC1C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496758	1	52	0.0	-65.69	402.17	5.22	-60.47
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496769	0	60	0.0	-69.93	441.54	4.11	-65.82
CNC1=NC(C)=CC=C1C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496796	0	54	0.0	-65.22	428.61	4.11	-61.11
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496796	1	54	0.0	-65.22	428.61	4.11	-61.11
CCCC(C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030496805	0	57	0.0	-67.94	426.52	5.19	-62.75
C[NH+](C)C(C)(C)C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496810	0	54	0.0	-70.74	396.37	4.00	-66.74
CC(CC[NH+](C)C)C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496824	0	57	0.0	-76.17	436.26	5.24	-70.93
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496886	0	58	0.0	-62.91	429.78	5.96	-56.95
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496886	1	58	0.0	-61.56	432.38	6.25	-55.31
C[NH+](C)CCCCCC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496888	0	60	0.0	-76.35	463.79	6.46	-69.89
C[NH+]1CCN(CC(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030496895	1	57	0.0	-72.47	435.99	2.99	-69.48
CC1C[N@H+](C)CC(C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030496948	1	56	0.0	-82.35	423.43	4.05	-78.30
CC1C[N@@H+](C)CC(C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030496948	1	56	0.0	-88.36	418.53	4.91	-83.45
O=C(C[NH+]1CC2CC2C1)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496979	0	53	0.0	-71.68	412.40	5.39	-66.29
C[N@@H+]1CCCCC1C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497006	0	55	0.0	-60.58	410.90	5.78	-54.80
C[N@H+]1CCCCC1C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497006	1	55	0.0	-65.07	410.78	5.85	-59.22
C[N@@H+]1CCC(=CC(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030497080	0	53	0.0	-77.39	408.84	5.87	-71.52
C[N@H+]1CCC(=CC(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030497080	1	53	0.0	-70.70	408.91	5.81	-64.89
O=C(CNC1=CC=[NH+]C=C1)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497083	0	51	0.0	-74.18	412.64	2.78	-71.40
C[NH+](C)C1(C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030497146	0	58	0.0	-69.94	415.92	4.58	-65.36
CCC1C[NH+](CC(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030497155	0	55	0.0	-72.87	429.57	5.35	-67.52
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497165	0	52	0.0	-68.35	401.62	4.37	-63.98
C[N@H+]1CCC[C@H]1C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497165	1	52	0.0	-65.85	389.76	4.78	-61.07
NC1=CC=C(CCC(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300030497209	0	54	0.0	-73.41	435.89	4.04	-69.37
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030497260	0	55	0.0	-69.23	420.04	5.98	-63.25
C[NH+](C)CCC1(C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030497269	0	58	0.0	-74.36	447.65	5.82	-68.54
C[N@@H+]1CC=CCC1CC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497270	0	56	0.0	-63.54	423.11	5.55	-57.99
C[N@H+]1CC=CCC1CC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497270	1	56	0.0	-76.99	428.03	5.61	-71.38
C[NH+](C)CCOCC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497306	0	55	0.0	-71.79	432.43	4.60	-67.19
[NH2+]=C1SC=CN1CC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497334	0	48	0.0	-67.12	404.00	3.68	-63.44
C[C@@H](OCC[NH+](C)C)C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497376	0	58	0.0	-63.19	448.79	5.08	-58.11
C[N@@H+]1CCCC(C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030497406	0	55	0.0	-70.14	415.49	5.86	-64.28
C[N@H+]1CCCC(C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030497406	1	55	0.0	-70.14	415.49	5.86	-64.28
O=C(C[NH+]1CCCCCC1)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497407	0	58	0.0	-70.66	427.52	5.52	-65.14
CN1C=C[N+](CC(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030497411	0	50	0.0	-61.16	402.38	7.77	-53.39
O=C(CN1CCC(O)CC1)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497434	0	56	0.0	-75.93	429.47	2.00	-73.93
O=C(C[NH+]1CCC(O)CC1)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497434	1	56	0.0	-75.93	429.47	2.00	-73.93
C[N@H+](CC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030497436	0	52	0.0	-61.81	400.54	5.67	-56.14
O=C(CC[N@H+]1CCC(F)C1)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497439	0	55	0.0	-73.33	425.66	6.18	-67.15
CC(CC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030497460	0	57	0.0	-73.85	433.75	5.54	-68.31
CN1CCOCC1CC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497479	0	56	0.0	-66.08	414.16	4.04	-62.04
C[N@@H+]1CCOCC1CC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497479	1	56	0.0	-67.99	420.05	3.22	-64.77
C[N@H+]1CCOCC1CC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497479	1	56	0.0	-67.99	420.05	3.22	-64.77
CC1=CC(N)=NC=C1C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497519	0	51	0.0	-74.86	408.01	2.78	-72.08
CC1=CC(N)=[NH+]C=C1C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497519	1	51	0.0	-74.86	408.01	2.78	-72.08
CC1(O)CC[N@H+](CC(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030497549	0	56	0.0	-67.02	427.46	2.70	-64.32
C[NH+]1CC(CC(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030497577	0	52	0.0	-73.82	408.22	4.37	-69.45
C[N@H+](CCO)CCC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497607	0	55	0.0	-72.97	426.96	1.51	-71.46
C[N@@H+](CCO)CCC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497607	1	55	0.0	-72.97	426.96	1.51	-71.46
C[N@@H+]1CCCCC1CC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497625	0	58	0.0	-64.77	428.68	5.61	-59.16
C[N@H+]1CCCCC1CC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497625	1	58	0.0	-64.77	428.68	5.61	-59.16
CC1CCN1CC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497640	0	52	0.0	-66.45	402.36	5.40	-61.05
CC1CC[N@@H+]1CC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497640	1	52	0.0	-64.12	402.58	5.34	-58.78
CC1CC[N@H+]1CC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497640	1	52	0.0	-64.12	402.58	5.34	-58.78
C[NH+](C)CC=CC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497648	0	52	0.0	-79.39	412.99	4.76	-74.63
CC1(C)CN(CC(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030497654	0	55	0.0	-72.17	427.49	5.12	-67.05
CC1(C)C[NH+](CC(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030497654	1	55	0.0	-72.17	427.49	5.12	-67.05
C[NH+](C)CCSCC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497676	0	55	0.0	-77.16	443.45	5.49	-71.67
O=C(C[N@H+]1CCCC1CO)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497695	0	56	0.0	-61.03	416.98	2.81	-58.22
CC[NH+](CC)CC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497699	0	54	0.0	-69.65	408.52	4.58	-65.07
O=C(CN1CCC1)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497708	0	49	0.0	-72.13	387.29	3.96	-68.17
O=C(C[NH+]1CCC1)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497708	1	49	0.0	-72.13	387.29	3.96	-68.17
CC[NH+](CC)CCC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497739	0	57	0.0	-74.24	430.54	5.20	-69.04
CC(C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1)N1CCC1	REAL300030497798	0	52	0.0	-69.34	395.74	4.05	-65.29
CC(C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030497798	1	52	0.0	-69.34	395.74	4.05	-65.29
CCC(CC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030497803	0	60	0.0	-74.23	447.58	6.01	-68.22
C[NH+](C)CC(C)(C)C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497809	0	57	0.0	-65.50	414.32	4.70	-60.80
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497846	0	55	0.0	-67.97	417.40	5.09	-62.88
C[NH+](C)CC(O)CC(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497870	0	55	0.0	-76.97	429.17	2.56	-74.41
C=CCC(C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030497892	0	55	0.0	-66.50	418.23	4.88	-61.62
C[NH+]1CCC(C)(C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030497905	0	58	0.0	-73.05	424.53	5.00	-68.05
C[NH+](C)CCSCC(=O)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030497968	0	55	0.0	-81.61	440.72	5.22	-76.39
CCC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030497978	0	51	0.0	-81.22	378.85	4.78	-76.44
COCCC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030497979	0	55	0.0	-83.15	412.48	3.86	-79.29
CC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030497980	0	48	0.0	-82.89	358.50	4.01	-78.88
O=C(C1=CC(=O)[N-]O1)N1CCC(C[NH+]2CCN(C(=O)C3CC3)CC2)CC1	REAL300030497981	0	52	0.0	-83.03	389.27	5.63	-77.40
O=C(C1=CC(=O)[N-]O1)N1CCC(C[NH+]2CCN(C(=O)C3CCC3)CC2)CC1	REAL300030497982	0	55	0.0	-83.53	405.61	6.15	-77.38
O=C(C1=CC(=O)[N-]O1)N1CCC(C[NH+]2CCN(C(=O)C3CCCC3)CC2)CC1	REAL300030497983	0	58	0.0	-82.70	419.63	6.51	-76.19
O=C(CC1CC1)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030497984	0	55	0.0	-81.76	409.78	6.32	-75.44
CC(C)(F)C(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030497985	0	54	0.0	-77.82	399.40	5.17	-72.65
CC(F)(F)C(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030497986	1	51	0.0	-77.97	388.34	4.81	-73.16
COCC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030497987	0	52	0.0	-86.94	391.53	4.17	-82.77
O=C(C1=CC(=O)[N-]O1)N1CCC(C[NH+]2CCN(C(=O)C3=CC=CC=N3)CC2)CC1	REAL300030497988	0	54	0.0	-77.37	408.53	5.84	-71.53
O=C(C1=CC(=O)[N-]O1)N1CCC(C[NH+]2CCN(C(=O)C3=CC=NC=C3)CC2)CC1	REAL300030497989	0	54	0.0	-86.65	407.64	4.93	-81.72
CCCC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030497990	0	54	0.0	-82.88	400.30	5.55	-77.33
O=C(C1=CC(=O)[N-]O1)N1CCC(C[NH+]2CCN(C(=O)C3=CC=CN=C3)CC2)CC1	REAL300030497991	0	54	0.0	-83.51	406.57	4.83	-78.68
O=C(C1=CC=CO1)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030497992	1	52	0.0	-82.48	395.46	5.01	-77.47
CC(=O)NCC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030497993	0	55	0.0	-85.20	417.48	2.41	-82.79
O=C(C1=CC(=O)[N-]O1)N1CCC(C[NH+]2CCN(C(=O)C3=CC=CC=C3)CC2)CC1	REAL300030497994	0	55	0.0	-85.46	411.74	6.70	-78.76
CC(C)CC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030497995	0	57	0.0	-82.31	417.03	6.15	-76.16
CC1CC1C(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030497996	0	55	0.0	-81.89	405.19	6.35	-75.54
CCOCC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030497997	0	55	0.0	-86.91	413.38	5.13	-81.78
CC(C)=CC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030497998	0	55	0.0	-81.23	407.35	6.06	-75.17
O=C(C1=CC(=O)[N-]O1)N1CCC(C[NH+]2CCN(C(=O)C3CCCO3)CC2)CC1	REAL300030497999	0	56	0.0	-85.93	411.80	5.18	-80.75
CSCC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498000	0	52	0.0	-86.56	401.87	5.25	-81.31
CSCCC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498001	0	55	0.0	-82.55	423.54	6.02	-76.53
CC(C)CCC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498002	0	60	0.0	-83.17	439.37	6.85	-76.32
O=C(C1=CC=CN1)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498003	0	53	0.0	-86.63	398.53	5.05	-81.58
O=C(C1=COC=C1)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498004	0	52	0.0	-84.78	394.90	4.97	-79.81
CCCCCC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498005	0	60	0.0	-83.02	443.30	7.11	-75.91
CC(C)(C)CC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498006	0	60	0.0	-79.89	432.05	6.67	-73.22
CCCCC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498007	0	57	0.0	-83.01	421.80	6.33	-76.68
CC(C)C(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498008	0	54	0.0	-81.18	396.96	5.25	-75.93
CCC(C)C(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498009	0	57	0.0	-82.10	412.77	5.79	-76.31
CCC(CC)C(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498010	0	60	0.0	-82.68	435.39	6.66	-76.02
O=C(C1=CC=NN1)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498011	0	52	0.0	-86.17	393.28	3.56	-82.61
O=C(C1=CC(=O)[N-]O1)N1CCC(C[NH+]2CCN(C(=O)C3=NNC=C3)CC2)CC1	REAL300030498011	1	52	0.0	-81.34	394.14	3.79	-77.55
CSC(C)C(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498012	0	55	0.0	-85.59	417.16	5.65	-79.94
CCOC(C)C(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498013	0	58	0.0	-85.44	429.01	5.60	-79.84
O=C(C1=CNN=C1)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498014	0	52	0.0	-84.65	393.14	3.13	-81.52
COCCCC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498015	0	58	0.0	-86.31	433.98	4.62	-81.69
O=C(C1=CC(=O)[N-]O1)N1CCC(C[NH+]2CCN(C(=O)C3=NOC=C3)CC2)CC1	REAL300030498016	1	51	0.0	-78.41	389.78	4.57	-73.84
CCC=C(C)C(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498017	0	58	0.0	-80.06	433.18	6.65	-73.41
COC(C)C(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498018	0	55	0.0	-85.47	407.15	4.64	-80.83
CC(C)OCC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498019	0	58	0.0	-86.86	433.65	5.87	-80.99
CCCOCC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498020	0	58	0.0	-86.80	434.88	5.93	-80.87
O=C(C1=CC(=O)[N-]O1)N1CCC(C[NH+]2CCN(C(=O)C3CCOC3)CC2)CC1	REAL300030498021	0	56	0.0	-85.80	412.84	4.05	-81.75
CCC(OC)C(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498022	0	58	0.0	-85.97	423.95	5.26	-80.71
COC(C)CC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498023	0	58	0.0	-84.04	431.62	5.37	-78.67
C=CCCC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498024	0	55	0.0	-82.76	413.12	6.11	-76.65
CCOCCC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498025	0	58	0.0	-82.92	434.33	4.82	-78.10
COCC(C)C(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498026	0	58	0.0	-84.02	430.66	4.49	-79.53
C=CCOCC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498027	0	56	0.0	-87.38	426.28	5.71	-81.67
O=C(C1=COC=N1)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498028	1	51	0.0	-77.96	389.94	2.58	-75.38
CCCC(C)C(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498029	0	60	0.0	-82.23	434.27	6.55	-75.68
O=C(CCC1CC1)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498030	0	58	0.0	-83.50	431.91	7.10	-76.40
O=C(C1=CC(=O)[N-]O1)N1CCC(C[NH+]2CCN(C(=O)C3CC=CC3)CC2)CC1	REAL300030498031	0	56	0.0	-83.85	411.46	6.40	-77.45
O=C(CC1CCC1)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498032	0	58	0.0	-83.36	426.72	6.88	-76.48
CC(C(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030498033	0	58	0.0	-81.02	425.65	6.67	-74.35
CC=C(C)C(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498034	0	55	0.0	-82.94	403.08	5.70	-77.24
CC1CC(C(=O)N2CC[NH+](CC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030498035	0	58	0.0	-83.62	424.66	6.70	-76.92
O=C(C=C1CCC1)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498036	0	56	0.0	-80.80	416.80	6.74	-74.06
CC(C)=C(F)C(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498037	0	55	0.0	-80.18	417.64	5.88	-74.30
O=C(C1=CCCC1)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498038	0	56	0.0	-82.97	409.93	6.29	-76.68
CC1(C)CC1C(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498039	0	58	0.0	-81.78	425.12	6.71	-75.07
CC1(C)C[C@@H]1C(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498040	0	58	0.0	-81.95	425.60	6.85	-75.10
O=C(C1=CC(=O)[N-]O1)N1CCC(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1	REAL300030498041	0	56	0.0	-89.37	411.61	5.26	-84.11
CCC(C)CC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498042	0	60	0.0	-82.30	435.26	6.81	-75.49
C#CCCCC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498043	0	56	0.0	-86.64	427.59	6.85	-79.79
CC(C)(O)CC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498044	0	58	0.0	-83.41	423.33	4.19	-79.22
CC(C)[C@@H](O)C(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498045	0	58	0.0	-85.17	422.22	4.04	-81.13
O=C(C1=CC(=O)[N-]O1)N1CCC(C[NH+]2CCN(C(=O)C3CC3(F)F)CC2)CC1	REAL300030498046	0	52	0.0	-84.15	402.28	5.78	-78.37
CCC(C)=CC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498047	0	58	0.0	-78.57	428.78	6.83	-71.74
CC(C)C#CC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498048	0	56	0.0	-80.93	428.89	6.81	-74.12
O=C(C#CC1CC1)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498049	0	54	0.0	-82.96	418.63	7.00	-75.96
C=C(C)CCC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498050	0	58	0.0	-82.40	434.47	6.77	-75.63
CC1(C(=O)N2CC[NH+](CC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030498051	0	55	0.0	-83.39	406.58	5.93	-77.46
O=C(C1=CC(=O)[N-]O1)N1CCC(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1	REAL300030498052	0	56	0.0	-89.02	411.73	5.28	-83.74
O=C(C1=CC(=O)[N-]O1)N1CCC(C[NH+]2CCN(C(=O)C3=NNN=C3)CC2)CC1	REAL300030498053	1	51	0.0	-81.41	388.71	2.38	-79.03
CC1(CC(=O)N2CC[NH+](CC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030498054	0	58	0.0	-80.92	429.65	6.82	-74.10
O=C(C1=CN=CO1)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498055	1	51	0.0	-83.93	390.07	1.74	-82.19
C=CC(C)(C)C(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498056	0	58	0.0	-79.72	418.18	5.88	-73.84
C[C@@H]1C[C@H]1C(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498057	0	55	0.0	-82.67	410.26	6.20	-76.47
CC1(C(=O)N2CC[NH+](CC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCC1	REAL300030498058	0	58	0.0	-81.81	418.90	6.17	-75.64
CCC(F)C(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498059	0	54	0.0	-82.91	405.18	5.54	-77.37
O=C(CCCF)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498060	0	54	0.0	-86.84	406.90	5.69	-81.15
C[C@H]1C[C@@H]1C(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498061	0	55	0.0	-81.00	409.96	6.19	-74.81
CC(C)C(F)C(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498062	0	57	0.0	-81.41	419.97	6.14	-75.27
C=CCCCC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498063	0	58	0.0	-83.71	434.61	6.90	-76.81
CCC(C)(C)C(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498064	0	60	0.0	-84.29	422.47	5.95	-78.34
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CC(C)C(C)C(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498070	0	60	0.0	-80.80	432.48	6.40	-74.40
CC[C@@H]1C[C@H]1C(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498071	0	58	0.0	-82.92	432.10	7.08	-75.84
O=C(C1=CC(=O)[N-]O1)N1CCC(C[NH+]2CCN(C(=O)C3CC34CC4)CC2)CC1	REAL300030498072	0	56	0.0	-83.33	420.96	6.96	-76.37
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O=C(C1=CC(=O)[N-]O1)N1CCC(C[NH+]2CCN(C(=O)C3CSC3)CC2)CC1	REAL300030498076	0	53	0.0	-90.58	403.60	5.62	-84.96
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CC=CC(O)C(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498083	0	56	0.0	-84.97	417.78	4.00	-80.97
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C=CCC(C)C(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498095	0	58	0.0	-84.20	430.49	6.63	-77.57
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C[C@@H](C(=O)N1CCN(CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030498097	1	59	0.0	-71.89	430.11	3.86	-68.03
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[N-]=[N+]=NCCC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498115	0	53	0.0	-83.83	408.94	1.40	-82.43
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O=C(C1=COCC1)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498160	0	54	0.0	-82.66	399.63	4.32	-78.34
C[C@H](O)C(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498161	0	52	0.0	-87.42	385.56	2.38	-85.04
O=C(C1=CC(=O)[N-]O1)N1CCC(C[NH+]2CCN(C(=O)C3C=CCC3)CC2)CC1	REAL300030498162	0	56	0.0	-81.73	410.72	6.38	-75.35
CC(O)C(C)C(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498163	0	58	0.0	-85.98	420.42	4.02	-81.96
C=C1CC1C(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498164	0	53	0.0	-81.63	402.11	6.08	-75.55
CC(CF)C(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498165	0	54	0.0	-85.26	403.45	5.49	-79.77
O=C(C1=CC(=O)[N-]O1)N1CCC(C[NH+]2CCN(C(=O)[C@@H]3CC3(F)F)CC2)CC1	REAL300030498166	0	52	0.0	-89.47	400.80	5.85	-83.62
C=C(C)CC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498167	0	55	0.0	-83.53	413.33	5.98	-77.55
CCSCC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498168	0	55	0.0	-86.40	423.33	6.14	-80.26
CC(C)=C(C)C(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498169	0	58	0.0	-80.03	430.86	6.54	-73.49
CCCC(O)C(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498170	0	58	0.0	-83.05	427.41	3.98	-79.07
CCC(O)CC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498171	0	58	0.0	-86.56	430.98	3.92	-82.64
CC(Cl)=CC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498172	0	52	0.0	-83.02	403.64	5.87	-77.15
CC=CC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498173	0	52	0.0	-81.25	391.30	5.35	-75.90
CC1(C(=O)N2CC[NH+](CC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1F	REAL300030498174	0	55	0.0	-83.59	414.13	5.92	-77.67
O=C(C1=CC(=O)[N-]O1)N1CCC(C[NH+]2CCN(C(=O)[C@H]3C[C@@H](O)C3)CC2)CC1	REAL300030498175	0	56	0.0	-85.73	415.99	2.60	-83.13
C[C@@H]1C[C@H]1C(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498176	0	55	0.0	-82.67	410.26	6.20	-76.47
CNC(=O)CC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498177	0	55	0.0	-95.49	414.89	3.81	-91.68
C=CC=CCC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498178	0	56	0.0	-84.39	426.97	6.75	-77.64
NC(=O)CCC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498179	0	55	0.0	-83.65	416.49	1.62	-82.03
CC(O)CCC(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498180	0	58	0.0	-82.59	432.11	3.05	-79.54
C#CCC(C)C(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498181	0	56	0.0	-82.21	420.30	6.34	-75.87
CC(CCO)C(=O)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498182	0	58	0.0	-86.48	424.19	2.44	-84.04
O=C(C1=CC(=O)[N-]O1)N1CCC(C[NH+]2CCN(C(=O)[C@H](O)CF)CC2)CC1	REAL300030498183	0	52	0.0	-85.22	391.72	2.54	-82.68
O=C(C1=CC(=O)[N-]O1)N1CCC(C[NH+]2CCN(C(=O)C3(O)CC3)CC2)CC1	REAL300030498184	0	53	0.0	-81.36	400.79	2.18	-79.18
O=C(CC1CC1)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498185	0	55	0.0	-79.18	410.27	6.46	-72.72
CC(C)(F)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498186	0	54	0.0	-75.53	399.52	5.21	-70.32
CC(F)(F)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498187	0	51	0.0	-74.84	388.49	4.88	-69.96
COCC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498188	0	52	0.0	-80.34	391.70	4.17	-76.17
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)C3=CC=CC=N3)CC2)CC1	REAL300030498189	0	54	0.0	-76.76	409.22	5.92	-70.84
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)C3=CC=NC=C3)CC2)CC1	REAL300030498190	0	54	0.0	-80.18	408.84	5.10	-75.08
CCCC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498191	0	54	0.0	-76.44	400.48	5.55	-70.89
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)C3=CC=CN=C3)CC2)CC1	REAL300030498192	0	54	0.0	-78.73	408.19	4.88	-73.85
O=C(C1=CC=CO1)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498193	0	52	0.0	-79.12	395.64	5.09	-74.03
CC(=O)NCC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498194	0	55	0.0	-78.76	417.64	2.43	-76.33
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)C3=CC=CC=C3)CC2)CC1	REAL300030498195	0	55	0.0	-78.00	412.64	6.74	-71.26
CC(C)CC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498196	0	57	0.0	-75.71	417.21	6.16	-69.55
CC1CC1C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498197	0	55	0.0	-77.54	404.67	6.25	-71.29
CCOCC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498198	0	55	0.0	-80.32	413.56	5.13	-75.19
CC(C)=CC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498199	0	55	0.0	-77.24	407.83	6.19	-71.05
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)C3CCCO3)CC2)CC1	REAL300030498200	0	56	0.0	-83.81	412.28	5.31	-78.50
CSCC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498201	0	52	0.0	-79.48	402.04	5.26	-74.22
CSCCC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498202	0	55	0.0	-75.97	423.72	6.03	-69.94
CC(C)CCC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498203	0	60	0.0	-76.61	439.55	6.84	-69.77
O=C(C1=CC=CN1)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498204	0	53	0.0	-82.65	398.21	5.22	-77.43
O=C(C1=COC=C1)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498205	0	52	0.0	-80.76	394.31	4.95	-75.81
CCCCCC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498206	0	60	0.0	-76.46	443.48	7.11	-69.35
CC(C)(C)CC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498207	0	60	0.0	-76.81	432.22	6.68	-70.13
CCCCC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498208	0	57	0.0	-76.53	421.98	6.33	-70.20
CC(C)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498209	0	54	0.0	-76.95	394.76	5.20	-71.75
CCC(C)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498210	0	57	0.0	-76.66	416.68	6.07	-70.59
CCC(CC)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498211	0	60	0.0	-78.09	435.34	6.63	-71.46
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)C3=NNC=C3)CC2)CC1	REAL300030498212	0	52	0.0	-78.01	394.25	3.92	-74.09
O=C(C1=CC=NN1)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498212	1	52	0.0	-81.02	392.89	3.75	-77.27
CSC(C)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498213	0	55	0.0	-79.41	417.62	5.67	-73.74
CCOC(C)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498214	0	58	0.0	-80.93	429.85	5.72	-75.21
O=C(C1=CNN=C1)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498215	0	52	0.0	-79.90	393.33	3.20	-76.70
COCCCC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498216	0	58	0.0	-79.27	434.15	4.62	-74.65
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)C3=NOC=C3)CC2)CC1	REAL300030498217	0	51	0.0	-76.67	389.88	4.59	-72.08
CCC=C(C)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498218	0	58	0.0	-78.14	433.76	6.81	-71.33
COC(C)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498219	0	55	0.0	-80.92	408.00	4.76	-76.16
CC(C)OCC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498220	0	58	0.0	-80.25	433.83	5.87	-74.38
CCCOCC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498221	0	58	0.0	-80.14	435.06	5.93	-74.21
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)C3CCOC3)CC2)CC1	REAL300030498222	0	56	0.0	-80.00	412.56	4.17	-75.83
CCC(OC)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498223	0	58	0.0	-80.64	423.92	5.41	-75.23
COC(C)CC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498224	0	58	0.0	-77.85	431.79	5.37	-72.48
C=CCCC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498225	0	55	0.0	-76.29	413.29	6.11	-70.18
CCOCCC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498226	0	58	0.0	-76.43	434.51	4.82	-71.61
COCC(C)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498227	0	58	0.0	-78.98	429.79	4.41	-74.57
C=CCOCC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498228	0	56	0.0	-80.56	426.46	5.71	-74.85
O=C(C1=COC=N1)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498229	0	51	0.0	-76.49	390.10	2.64	-73.85
CC(C#N)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498230	0	52	0.0	-84.99	398.01	5.06	-79.93
CCCC(C)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498231	0	60	0.0	-76.71	434.33	6.59	-70.12
O=C(CCC1CC1)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498232	0	58	0.0	-78.92	432.09	7.13	-71.79
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)C3CC=CC3)CC2)CC1	REAL300030498233	0	56	0.0	-79.28	411.82	6.54	-72.74
O=C(CC1CCC1)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498234	0	58	0.0	-78.71	426.62	6.88	-71.83
CC(C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030498235	0	58	0.0	-76.59	427.29	6.69	-69.90
CC=C(C)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498236	0	55	0.0	-78.30	412.52	5.92	-72.38
CC1CC(C(=O)N2CCC(C[NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030498237	0	58	0.0	-79.03	426.12	6.79	-72.24
O=C(C=C1CCC1)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498238	0	56	0.0	-78.28	417.44	6.88	-71.40
CC(C)=C(F)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498239	0	55	0.0	-77.43	418.38	6.04	-71.39
O=C(C1=CCCC1)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498240	0	56	0.0	-79.29	410.30	6.45	-72.84
CC1(C)CC1C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498241	0	58	0.0	-77.31	425.57	6.76	-70.55
CC1(C)C[C@@H]1C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498242	0	58	0.0	-77.37	425.70	6.87	-70.50
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1	REAL300030498243	0	56	0.0	-81.92	411.93	5.30	-76.62
CCC(C)CC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498244	0	60	0.0	-75.78	435.44	6.82	-68.96
C#CCCCC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498245	0	56	0.0	-79.38	427.76	6.85	-72.53
CC(C)(O)CC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498246	0	58	0.0	-75.58	423.34	4.13	-71.45
CC(C)[C@@H](O)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498247	0	58	0.0	-79.03	419.68	3.99	-75.04
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)C3CC3(F)F)CC2)CC1	REAL300030498248	0	52	0.0	-80.92	401.75	5.68	-75.24
CCC(C)=CC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498249	0	58	0.0	-74.92	429.68	6.99	-67.93
CC(C)C#CC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498250	0	56	0.0	-78.35	429.02	6.83	-71.52
O=C(C#CC1CC1)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498251	0	54	0.0	-79.32	418.53	7.01	-72.31
CCC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498252	0	51	0.0	-76.59	378.98	4.79	-71.80
COCCC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498253	0	55	0.0	-76.63	412.65	3.86	-72.77
CC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498254	0	48	0.0	-78.99	357.66	3.98	-75.01
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)C3CC3)CC2)CC1	REAL300030498255	0	52	0.0	-78.82	389.25	5.67	-73.15
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)C3CCC3)CC2)CC1	REAL300030498256	0	55	0.0	-79.17	405.12	6.12	-73.05
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)C3CCCC3)CC2)CC1	REAL300030498257	0	58	0.0	-77.00	420.44	6.67	-70.33
C=CCCCC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498258	0	58	0.0	-77.06	434.79	6.90	-70.16
CCC(C)(C)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498259	0	60	0.0	-80.43	422.39	6.05	-74.38
NC(=O)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498260	0	49	0.0	-75.16	371.99	0.09	-75.07
CC1CC1CC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498261	0	58	0.0	-76.88	431.30	7.00	-69.88
CCC1(C(=O)N2CCC(C[NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030498262	0	58	0.0	-78.99	429.46	6.70	-72.29
CC(C)(C)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498263	0	57	0.0	-79.76	408.63	5.46	-74.30
C=C(C)CCC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498264	0	58	0.0	-76.11	434.90	6.78	-69.33
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)C3(CF)CC3)CC2)CC1	REAL300030498265	0	55	0.0	-84.49	415.82	6.13	-78.36
CC(C)C(C)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498266	0	60	0.0	-76.30	434.20	6.61	-69.69
CC[C@@H]1C[C@H]1C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498267	0	58	0.0	-78.71	432.05	7.11	-71.60
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)C3CC34CC4)CC2)CC1	REAL300030498268	0	56	0.0	-78.81	421.20	7.01	-71.80
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)[C@H]3CCCO3)CC2)CC1	REAL300030498269	0	56	0.0	-84.30	411.70	5.31	-78.99
CC1(CC(=O)N2CCC(C[NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030498270	0	58	0.0	-78.03	430.41	6.96	-71.07
CC1(C(=O)N2CCC(C[NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030498271	0	55	0.0	-79.68	408.84	5.88	-73.80
O=C(C1=CNC=C1)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498272	0	53	0.0	-82.10	398.20	4.74	-77.36
O=C(C1=CN=CO1)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498273	0	51	0.0	-81.04	390.43	1.82	-79.22
C=CC(C)(C)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498274	0	58	0.0	-77.87	417.71	5.99	-71.88
C[C@@H]1C[C@H]1C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498275	0	55	0.0	-78.78	410.63	6.35	-72.43
CC1(C(=O)N2CCC(C[NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCC1	REAL300030498276	0	58	0.0	-79.49	419.14	6.21	-73.28
CCC(F)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498277	0	54	0.0	-79.69	405.65	5.67	-74.02
O=C(CCCF)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498278	0	54	0.0	-79.57	407.08	5.70	-73.87
C[C@H]1C[C@@H]1C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498279	0	55	0.0	-78.51	410.19	6.23	-72.28
CC(C)C(F)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498280	0	57	0.0	-77.75	424.44	6.19	-71.56
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)C3=NNN=C3)CC2)CC1	REAL300030498281	0	51	0.0	-76.62	388.96	2.50	-74.12
O=C(CO)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498282	0	49	0.0	-81.85	369.46	1.90	-79.95
NC(=O)C=CC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498283	0	53	0.0	-80.01	408.23	1.53	-78.48
COC(=O)CC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498284	0	54	0.0	-84.51	410.93	5.74	-78.77
CSC=CC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498285	0	53	0.0	-77.42	413.86	5.83	-71.59
NC(=O)CCC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498286	0	55	0.0	-78.14	416.66	1.62	-76.52
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)C3CCO3)CC2)CC1	REAL300030498287	0	53	0.0	-85.98	394.75	4.32	-81.66
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)C3(Cl)CC3)CC2)CC1	REAL300030498288	0	52	0.0	-77.73	403.63	5.99	-71.74
O=C(C1=CCCO1)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498289	0	54	0.0	-75.31	403.76	4.70	-70.61
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)C3COC3)CC2)CC1	REAL300030498290	0	53	0.0	-80.47	395.72	3.27	-77.20
O=C(C=CCO)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498291	0	53	0.0	-82.41	402.94	2.15	-80.26
CC=CC(O)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498292	0	56	0.0	-80.48	419.06	3.82	-76.66
C[C@@H](C(=O)N1CCC(CN2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030498293	1	59	0.0	-70.52	428.63	3.96	-66.56
CCC=C(F)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498294	0	55	0.0	-74.04	415.32	6.21	-67.83
CCC=CC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498295	0	55	0.0	-78.33	412.93	6.27	-72.06
[N-]=[N+]=NCCC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498296	0	53	0.0	-76.24	409.12	1.40	-74.84
C#CCOCC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498297	0	54	0.0	-83.12	419.34	5.67	-77.45
CC(O)CCC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498298	0	58	0.0	-76.54	432.29	3.05	-73.49
C#CCCC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498299	0	53	0.0	-76.68	406.26	6.07	-70.61
CC=CC=CC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498300	0	56	0.0	-78.32	427.00	6.95	-71.37
COCC=CC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498301	0	56	0.0	-81.13	425.20	4.55	-76.58
CCC(C)(O)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498302	0	58	0.0	-75.59	419.92	2.96	-72.63
C#CCC(C)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498303	0	56	0.0	-78.70	422.57	6.47	-72.23
C=CC(O)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498304	0	53	0.0	-80.43	397.36	2.99	-77.44
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)C34CC3CC4)CC2)CC1	REAL300030498305	0	56	0.0	-79.63	416.02	6.74	-72.89
C=C[C@H](C)CC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498306	0	58	0.0	-77.90	430.00	6.71	-71.19
O=C(C=CC1CC1)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498307	0	56	0.0	-78.85	423.77	7.06	-71.79
CCC(C#N)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498308	0	55	0.0	-79.28	416.03	5.41	-73.87
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)C3C4CCC43)CC2)CC1	REAL300030498309	0	56	0.0	-78.01	411.62	6.86	-71.15
C=C1CCC1C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498310	0	56	0.0	-78.52	416.50	6.53	-71.99
C[C@H]1C(C(=O)N2CCC(C[NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)[C@H]1C	REAL300030498311	0	58	0.0	-76.86	419.10	6.71	-70.15
CC[N@H+](C)CC(=O)N1CCC(CN2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498312	1	59	0.0	-71.87	432.33	4.25	-67.62
CC[N@@H+](C)CC(=O)N1CCC(CN2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498312	1	59	0.0	-72.34	432.91	4.35	-67.99
CC(O)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498313	0	52	0.0	-78.01	385.35	2.42	-75.59
CC(=O)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498314	0	50	0.0	-74.54	379.46	3.93	-70.61
N#CCCCC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498315	0	55	0.0	-85.56	421.33	6.07	-79.49
N#CC1(C(=O)N2CCC(C[NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030498316	0	53	0.0	-79.77	407.16	5.56	-74.21
C=C1CC(C(=O)N2CCC(C[NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030498317	0	56	0.0	-76.55	418.76	6.54	-70.01
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)C3(F)CC3)CC2)CC1	REAL300030498318	0	52	0.0	-78.77	395.59	5.65	-73.12
COC(C)(C)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498319	0	58	0.0	-76.27	418.95	4.43	-71.84
CC(CC#N)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498320	0	55	0.0	-83.63	416.15	5.65	-77.98
CCC1CC1C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498321	0	58	0.0	-77.21	426.10	6.97	-70.24
C=CC(C)(O)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498322	0	56	0.0	-77.22	414.22	3.17	-74.05
CCCC=CC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498323	0	58	0.0	-78.32	434.43	7.05	-71.27
CC=C(F)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498324	0	52	0.0	-74.82	395.01	5.48	-69.34
C[C@H](C(=O)N1CCC(CN2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030498325	1	59	0.0	-70.42	431.72	3.98	-66.44
CCOC=CC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498326	0	56	0.0	-76.84	424.88	5.13	-71.71
CC(=O)OCC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498327	0	54	0.0	-80.26	415.04	5.77	-74.49
CC(=O)C=CC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498328	0	54	0.0	-78.60	415.22	5.37	-73.23
O=C(COC1CC1)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498329	0	56	0.0	-83.68	423.77	5.94	-77.74
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)C3=NC=CN3)CC2)CC1	REAL300030498330	0	52	0.0	-76.01	394.80	4.50	-71.51
CC(CO)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498331	0	55	0.0	-77.11	409.39	2.14	-74.97
O=C(C1=CON=C1)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498332	0	51	0.0	-81.31	389.93	4.47	-76.84
O=C(CCCCO)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498333	0	58	0.0	-77.80	433.41	3.00	-74.80
O=C(C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030498334	0	54	0.0	-74.02	409.78	5.43	-68.59
O=C(CC1(O)CC1)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498335	0	56	0.0	-83.08	419.94	2.98	-80.10
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)C3CCC3F)CC2)CC1	REAL300030498336	0	55	0.0	-81.88	410.55	6.06	-75.82
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)[C@@H]3C[C@H]3CF)CC2)CC1	REAL300030498337	0	55	0.0	-81.52	417.31	6.44	-75.08
CCC(CO)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498338	0	58	0.0	-82.98	423.79	2.73	-80.25
N#C[C@H]1C[C@H]1C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498339	0	53	0.0	-86.68	405.57	5.84	-80.84
O=C(C1=COCC1)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498340	0	54	0.0	-79.91	399.87	4.37	-75.54
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)C3(O)CC3)CC2)CC1	REAL300030498341	0	53	0.0	-76.79	400.35	2.18	-74.61
O=C(C1=CCC1)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498342	0	53	0.0	-80.82	395.14	5.99	-74.83
CC(CF)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498343	0	54	0.0	-78.23	403.62	5.43	-72.80
CC(Cl)=CC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498344	0	52	0.0	-79.53	404.17	6.03	-73.50
CC=CC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498345	0	52	0.0	-76.65	391.32	5.37	-71.28
CC1(C(=O)N2CCC(C[NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1F	REAL300030498346	0	55	0.0	-80.53	412.52	5.97	-74.56
O=C(C=CCF)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498347	0	52	0.0	-81.38	398.02	5.63	-75.75
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)C3(CO)CC3)CC2)CC1	REAL300030498348	0	56	0.0	-84.62	420.06	2.65	-81.97
O=C(C1=CC=NO1)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498349	0	51	0.0	-76.89	389.87	4.26	-72.63
C[C@H](O)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498351	0	52	0.0	-84.45	386.05	2.53	-81.92
CON=CC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498352	0	52	0.0	-82.52	400.72	3.45	-79.07
CC(C)[C@H](O)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498353	0	58	0.0	-79.63	419.81	4.20	-75.43
C#CC1(C(=O)N2CCC(C[NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030498354	0	54	0.0	-79.28	414.83	6.51	-72.77
C=CC=CCC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498355	0	56	0.0	-77.34	427.14	6.75	-70.59
C#C[C@H]1C[C@H]1C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498356	0	54	0.0	-79.05	411.52	6.72	-72.33
CC=C(CC)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498357	0	58	0.0	-78.03	431.91	6.71	-71.32
COC(F)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498358	0	52	0.0	-82.01	396.47	3.69	-78.32
COCC(O)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498359	0	56	0.0	-80.63	418.92	1.71	-78.92
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)[C@@H]3CC3(F)F)CC2)CC1	REAL300030498360	0	52	0.0	-83.60	400.47	5.75	-77.85
N#C[C@@H]1C[C@H]1C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498361	0	53	0.0	-82.38	410.25	6.10	-76.28
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)[C@H]3C[C@@H](O)C3)CC2)CC1	REAL300030498362	0	56	0.0	-80.91	416.58	2.76	-78.15
O=C(COCCO)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498363	0	56	0.0	-83.59	424.94	2.01	-81.58
CC(C)(CF)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498364	0	57	0.0	-79.70	413.21	5.64	-74.06
CC(C)(CO)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498365	0	58	0.0	-80.29	417.58	2.28	-78.01
C=CCC(C)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498366	0	58	0.0	-78.45	429.12	6.51	-71.94
C[C@@H]1C[C@H]1C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498367	0	55	0.0	-78.78	410.63	6.35	-72.43
CC(C)(O)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498368	0	55	0.0	-75.70	403.30	2.31	-73.39
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)C3=NOCC3)CC2)CC1	REAL300030498369	0	53	0.0	-75.32	399.85	3.85	-71.47
CC(C#N)CC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498370	0	55	0.0	-78.13	416.53	5.83	-72.30
CC(CCO)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498371	0	58	0.0	-80.69	424.25	2.47	-78.22
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)[C@H](O)CF)CC2)CC1	REAL300030498372	0	52	0.0	-79.78	392.69	2.70	-77.08
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)C3(O)CCC3)CC2)CC1	REAL300030498373	0	56	0.0	-77.19	413.39	3.02	-74.17
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)C(O)C3CC3)CC2)CC1	REAL300030498374	0	56	0.0	-80.42	413.04	4.23	-76.19
C=C(C)CC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498375	0	55	0.0	-76.74	413.51	5.98	-70.76
CC(C)(C#N)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498376	0	55	0.0	-74.53	411.48	5.14	-69.39
CCSCC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498377	0	55	0.0	-79.39	423.51	6.15	-73.24
CC(C)=C(C)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498378	0	58	0.0	-77.03	427.43	6.54	-70.49
CNC(=O)CC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498379	0	55	0.0	-87.95	415.07	3.81	-84.14
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)C3CC(F)C3)CC2)CC1	REAL300030498380	0	55	0.0	-77.95	412.23	6.25	-71.70
C=CCC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498381	0	52	0.0	-79.19	391.90	5.35	-73.84
CN(C)CC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498382	1	56	0.0	-76.97	412.48	3.06	-73.91
N#CCC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498383	0	49	0.0	-86.74	378.44	4.47	-82.27
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)C3CC3F)CC2)CC1	REAL300030498384	0	52	0.0	-83.33	393.45	5.65	-77.68
C[C@@H](C(=O)N1CCC(CN2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030498385	1	59	0.0	-70.52	428.63	3.96	-66.56
O=C(CCF)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498386	0	51	0.0	-76.40	385.58	4.94	-71.46
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)C3C=CCC3)CC2)CC1	REAL300030498387	0	56	0.0	-79.09	410.00	6.37	-72.72
C#CC(C)(C)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498388	0	56	0.0	-78.74	417.14	6.09	-72.65
CO[C@H](C)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498389	0	55	0.0	-81.34	408.18	4.77	-76.57
CC(=O)CCC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498390	0	56	0.0	-76.49	423.57	5.46	-71.03
C[C@@H](O)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498391	0	52	0.0	-78.70	385.72	2.55	-76.15
O=C(CN1CCC1)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498392	0	57	0.0	-79.93	420.71	2.79	-77.14
CC(O)C(C)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498393	0	58	0.0	-79.16	422.32	2.77	-76.39
C=C1CC1C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498394	0	53	0.0	-77.19	402.52	6.09	-71.10
COC(OC)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498395	0	56	0.0	-83.45	414.35	3.99	-79.46
CC1(C(=O)N2CCC(C[NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)COC1	REAL300030498396	0	56	0.0	-80.91	410.60	3.54	-77.37
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)C3CC(=O)N3)CC2)CC1	REAL300030498397	0	53	0.0	-89.56	403.66	1.52	-88.04
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)[C@@H]3CC(=O)N3)CC2)CC1	REAL300030498398	0	53	0.0	-89.59	403.62	1.53	-88.06
CCC[C@H](O)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498399	0	58	0.0	-80.28	427.96	4.12	-76.16
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)[C@H]3CC3(F)F)CC2)CC1	REAL300030498400	0	52	0.0	-83.22	400.58	5.87	-77.35
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)C3(F)CCC3)CC2)CC1	REAL300030498401	0	55	0.0	-75.96	409.52	6.13	-69.83
O=C(C1=CNC=N1)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498402	0	52	0.0	-77.15	394.52	5.34	-71.81
O=C(C1=CN=CN1)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498402	1	52	0.0	-82.70	392.86	5.02	-77.68
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)C3CC(=O)C3)CC2)CC1	REAL300030498403	0	54	0.0	-88.16	407.58	5.13	-83.03
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)C3(O)COC3)CC2)CC1	REAL300030498404	0	54	0.0	-80.09	404.00	0.50	-79.59
CC(C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)=C1CC1	REAL300030498405	0	56	0.0	-78.70	425.85	6.84	-71.86
CC1=CC1C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498406	0	53	0.0	-79.14	403.93	6.35	-72.79
CN(C)C(=O)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498407	0	55	0.0	-74.62	409.39	3.58	-71.04
CCCC(O)C(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498408	0	58	0.0	-79.96	428.03	4.13	-75.83
CCC(O)CC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498409	0	58	0.0	-79.70	431.15	3.92	-75.78
O=C(CCCCF)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498410	0	57	0.0	-77.23	428.58	6.48	-70.75
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)[C@H]3CC(=O)N3)CC2)CC1	REAL300030498411	0	53	0.0	-89.47	403.80	1.54	-87.93
COC1(C(=O)N2CCC(C[NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030498412	0	56	0.0	-76.99	421.44	4.51	-72.48
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](CC2CCN(C(=O)C3CSC3)CC2)CC1	REAL300030498413	0	53	0.0	-80.55	404.02	5.63	-74.92
C=CC(=O)N1CCC(C[NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498414	0	49	0.0	-78.59	370.12	4.64	-73.95
O=C(C1=CC(=O)[N-]O1)N1CCC(C[NH+]2CCN(C(=O)C3CC(=O)N3)CC2)CC1	REAL300030498415	0	53	0.0	-94.18	403.41	1.39	-92.79
O=C(C1=CC(=O)[N-]O1)N1CCC(C[NH+]2CCN(C(=O)C3CC(F)C3)CC2)CC1	REAL300030498416	0	55	0.0	-85.04	411.20	6.09	-78.95
O=C(C1=CC=NO1)N1CC[NH+](CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030498417	1	51	0.0	-80.91	390.15	4.35	-76.56
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2CCC[N@@H+]2C)C1	REAL300030498571	0	50	0.0	-53.58	376.71	1.47	-52.11
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2CCC[N@H+]2C)C1	REAL300030498571	1	50	0.0	-54.76	375.91	1.17	-53.59
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2C[N@H+](C)CCO2)C1	REAL300030498595	1	51	0.0	-73.74	387.76	0.66	-73.08
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2C[N@@H+](C)CCO2)C1	REAL300030498595	1	51	0.0	-69.42	387.77	0.90	-68.52
CC(C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300030498753	0	59	0.0	-53.86	419.87	2.70	-51.16
CC(C)[N@@H+]1CCCCC1C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030498755	0	59	0.0	-53.33	423.17	2.94	-50.39
CC(C)[N@H+]1CCCCC1C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030498755	1	59	0.0	-55.20	413.53	2.76	-52.44
CC(C)[N@@H+]1CCCC1C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030498775	0	56	0.0	-54.03	412.06	2.41	-51.62
CC(C)[N@H+]1CCCC1C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030498775	1	56	0.0	-52.91	406.71	2.53	-50.38
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300030498791	0	57	0.0	-64.06	417.76	2.98	-61.08
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300030498791	1	57	0.0	-60.97	417.91	3.18	-57.79
CC(C)C1=[NH+]C=CN1CC(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030498810	1	54	0.0	-55.28	415.83	2.92	-52.36
CC1=[NH+]C=CN1CC(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030498838	1	48	0.0	-57.48	379.61	1.80	-55.68
CC(C[NH+]1CCOCC1)C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030498839	0	57	0.0	-62.42	421.50	0.93	-61.49
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CCC[NH+]2CCCCC2)C1	REAL300030498855	0	59	0.0	-62.59	435.68	3.42	-59.17
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1	REAL300030498873	0	59	0.0	-56.50	420.12	3.39	-53.11
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2C[NH+]3CCC2CC3)C1	REAL300030498881	0	54	0.0	-70.97	391.53	2.04	-68.93
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300030498921	0	57	0.0	-53.94	407.00	2.87	-51.07
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2CCCC3CCC[N@H+]32)C1	REAL300030498921	1	57	0.0	-53.42	401.54	2.97	-50.45
C[C@@H]1[C@H](C(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030498934	0	53	0.0	-58.72	382.47	1.25	-57.47
C[C@@H]1[C@H](C(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030498934	1	53	0.0	-58.72	389.55	1.52	-57.20
CC[C@@H]1[C@@H](C(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030498938	0	56	0.0	-59.66	407.00	1.96	-57.70
CC[C@@H]1[C@@H](C(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030498938	1	56	0.0	-58.99	416.09	2.45	-56.54
CC[N@@H+]1CCOC(C(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030498947	1	54	0.0	-71.68	405.56	1.31	-70.37
CC[N@H+]1CCOC(C(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030498947	1	54	0.0	-67.39	405.56	1.53	-65.86
CC[NH+](CC)CC(F)C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030498988	0	55	0.0	-55.58	409.58	1.92	-53.66
CC1CCC(C)[NH+]1CC(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030499049	0	56	0.0	-54.29	407.30	2.19	-52.10
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CCC[NH+]2CCCC2)C1	REAL300030499055	0	56	0.0	-62.68	420.01	2.72	-59.96
C#CC[NH+]1CCC(C(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030499060	0	55	0.0	-67.06	419.42	3.02	-64.04
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CC[NH+]2CCCCC2)C1	REAL300030499061	0	56	0.0	-59.86	414.18	2.61	-57.25
CC[N@@H+]1CCCCC1C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030499066	0	56	0.0	-53.76	400.58	2.28	-51.48
CC[N@H+]1CCCCC1C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030499066	1	56	0.0	-48.90	409.68	2.61	-46.29
CC(C)C[N@@H+]1CCC(C(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030499080	0	59	0.0	-59.52	435.86	3.34	-56.18
CC(C)C[N@H+]1CCC(C(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030499080	1	59	0.0	-59.74	435.31	3.41	-56.33
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2([NH+](C)C)CCC2)C1	REAL300030499083	0	53	0.0	-78.57	383.97	1.54	-77.03
CC(C)[N@@H+]1CCCC1CC(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030499085	0	59	0.0	-57.27	431.94	2.98	-54.29
CC(C)[N@H+]1CCCC1CC(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030499085	1	59	0.0	-72.27	420.43	1.56	-70.71
CC(C)[C@@H](C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030499098	0	55	0.0	-60.39	396.81	2.13	-58.26
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C[N@H+](C)C2CCC2)C1	REAL300030499139	0	53	0.0	-55.06	396.30	2.17	-52.89
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C[N@@H+](C)C2CCC2)C1	REAL300030499139	1	53	0.0	-53.29	396.63	2.43	-50.86
CC(C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300030499193	0	59	0.0	-52.17	420.49	2.63	-49.54
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030499249	1	52	0.0	-51.90	394.14	1.99	-49.91
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030499249	1	52	0.0	-55.26	402.95	2.72	-52.54
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CCC2CCC[N@@H+]2C)C1	REAL300030499255	0	56	0.0	-61.89	411.59	2.44	-59.45
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CCC2CCC[N@H+]2C)C1	REAL300030499255	1	56	0.0	-62.79	417.68	2.93	-59.86
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C23CCC[NH+](CCC2)C3)C1	REAL300030499264	0	57	0.0	-63.91	407.58	2.39	-61.52
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300030499267	0	57	0.0	-56.81	411.43	2.74	-54.07
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2CCC3CCCC[N@H+]32)C1	REAL300030499267	1	57	0.0	-54.76	411.20	2.86	-51.90
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CCCC[NH+]2CCCC2)C1	REAL300030499283	0	59	0.0	-64.58	441.51	3.50	-61.08
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2CC[NH+](C)CC2)C1	REAL300030499294	0	53	0.0	-68.05	394.74	1.87	-66.18
CC1=C(C(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300030499328	0	51	0.0	-70.54	401.93	4.14	-66.40
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2CCCC[N@@H+]2C)C1	REAL300030499357	0	53	0.0	-58.48	392.33	1.92	-56.56
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2CCCC[N@H+]2C)C1	REAL300030499357	1	53	0.0	-56.33	391.32	1.99	-54.34
CC(C)C[N@@H+]1CCCC1C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030499377	0	59	0.0	-58.74	429.79	2.93	-55.81
CC(C)C[N@H+]1CCCC1C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030499377	1	59	0.0	-53.83	421.42	2.51	-51.32
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300030499472	0	48	0.0	-64.56	380.35	3.69	-60.87
CC1=[NH+]C=CN1CCCC(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030499480	1	54	0.0	-61.77	421.15	3.09	-58.68
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CC[NH+]2CCOCC2)C1	REAL300030499484	1	54	0.0	-62.52	405.45	0.20	-62.32
CC1=C[NH+]=CN1CC(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030499511	1	48	0.0	-59.65	380.16	2.78	-56.87
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C23CCC[NH+]2CCC3)C1	REAL300030499547	0	54	0.0	-50.25	394.18	2.44	-47.81
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2CCCC([NH+](C)C)C2)C1	REAL300030499569	0	59	0.0	-57.67	420.57	3.11	-54.56
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CC2CC[N@H+](C)C2)C1	REAL300030499572	0	53	0.0	-62.95	397.02	1.87	-61.08
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CC2CC[N@@H+](C)C2)C1	REAL300030499572	1	53	0.0	-64.53	396.67	1.99	-62.54
CN(C)C1=CC=[NH+]C=C1C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030499583	0	52	0.0	-66.06	400.90	1.00	-65.06
CCC(C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030499588	0	52	0.0	-56.87	378.96	1.27	-55.60
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CC2([NH+](C)C)CCCC2)C1	REAL300030499600	0	59	0.0	-60.37	414.25	2.87	-57.50
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300030499637	1	48	0.0	-68.77	380.62	3.72	-65.05
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CCCC[NH+](C)C)C1	REAL300030499687	0	55	0.0	-66.35	415.54	2.33	-64.02
CC(C)C(C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030499707	0	55	0.0	-53.20	399.63	2.34	-50.86
CCC[N@H+](C)CCC(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030499709	0	55	0.0	-61.34	411.78	2.13	-59.21
CCC[N@@H+](C)CCC(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030499709	1	55	0.0	-61.64	411.78	2.14	-59.50
CCC[N@H+](C)CC(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030499714	0	52	0.0	-57.80	389.50	1.63	-56.17
CCC[N@@H+](C)CC(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030499714	1	52	0.0	-55.71	389.64	1.85	-53.86
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C23CC[N@H+](C2)CCC3)C1	REAL300030499736	0	54	0.0	-59.57	392.37	1.65	-57.92
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300030499736	1	54	0.0	-61.82	392.70	1.44	-60.38
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)[C@H]2CCC[N@@H+]2C)C1	REAL300030499770	0	50	0.0	-53.82	376.31	1.48	-52.34
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)[C@H]2CCC[N@H+]2C)C1	REAL300030499770	1	50	0.0	-61.37	370.94	0.84	-60.53
CCCCCC[N@H+](C)CC(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030499821	0	61	0.0	-58.76	453.99	3.97	-54.79
CCCCCC[N@@H+](C)CC(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030499821	1	61	0.0	-56.63	454.13	4.20	-52.43
CC[NH+](CC)C(C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300030499825	0	61	0.0	-64.88	432.32	2.59	-62.29
CC[NH+](CC)CC(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030499833	0	52	0.0	-56.89	385.86	1.54	-55.35
CCC[N@@H+]1CCCC(C(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030499865	0	59	0.0	-56.21	427.75	3.44	-52.77
CCC[N@H+]1CCCC(C(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030499865	1	59	0.0	-57.68	433.89	3.48	-54.20
CC(C)[N@@H+]1CCOC(C(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030499880	0	57	0.0	-57.16	422.34	2.03	-55.13
CC(C)[N@H+]1CCOC(C(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030499880	1	57	0.0	-66.33	415.36	1.65	-64.68
CC1CC[NH+](CC(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030499908	0	56	0.0	-57.28	412.91	2.68	-54.60
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)COC2CC[NH+](C)CC2)C1	REAL300030499934	0	57	0.0	-71.71	430.13	2.28	-69.43
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2(C[NH+](C)C)CC2)C1	REAL300030499944	0	53	0.0	-75.97	403.34	1.24	-74.73
CC(C)[NH+]1CCC(C(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030500013	0	59	0.0	-64.99	425.40	2.82	-62.17
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2CC[NH+](C)CC2)C1	REAL300030500030	0	53	0.0	-68.05	394.74	1.87	-66.18
CC(C)[C@H](C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030500048	0	55	0.0	-58.25	396.46	1.95	-56.30
CCC(C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300030500079	0	58	0.0	-52.43	414.56	2.64	-49.79
CC[N@H+](C)CCC(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030500133	0	52	0.0	-60.91	390.28	1.39	-59.52
CC[N@@H+](C)CCC(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030500133	1	52	0.0	-61.17	390.28	1.39	-59.78
CC1CCC[N@@H+]1CC(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030500187	0	53	0.0	-54.17	388.92	1.60	-52.57
CC1CCC[N@H+]1CC(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030500187	1	53	0.0	-53.36	395.51	2.19	-51.17
CC1CC[N@H+](CC(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030500189	0	53	0.0	-55.63	396.48	1.86	-53.77
CC1CC[N@@H+](CC(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030500189	1	53	0.0	-56.38	395.68	1.97	-54.41
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1	REAL300030500193	0	56	0.0	-56.30	415.48	2.44	-53.86
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C[N@H+]2CCC(C)(C)C2)C1	REAL300030500193	1	56	0.0	-54.45	415.36	2.68	-51.77
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C[N@H+](C)CC(C)(C)C)C1	REAL300030500194	0	58	0.0	-57.91	427.24	2.82	-55.09
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1	REAL300030500194	1	58	0.0	-54.71	418.02	2.88	-51.83
CC[C@@H](C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030500202	0	52	0.0	-53.44	380.42	1.25	-52.19
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CC2(O)CC[NH+](C)CC2)C1	REAL300030500352	0	57	0.0	-60.38	420.61	0.56	-59.82
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C[NH+](C)C)C1	REAL300030500363	0	46	0.0	-58.43	350.18	0.19	-58.24
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C[NH+]2CCC(CO)CC2)C1	REAL300030500367	1	57	0.0	-58.53	423.75	-0.63	-59.16
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C[NH+]2CCCCCC2)C1	REAL300030500368	0	56	0.0	-53.61	401.48	2.50	-51.11
CN1C=C[N+](CC(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300030500372	0	48	0.0	-58.66	381.41	3.70	-54.96
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2CCC[N@H+](C)C2)C1	REAL300030500379	0	53	0.0	-57.23	388.90	2.12	-55.11
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2CCC[N@@H+](C)C2)C1	REAL300030500379	1	53	0.0	-63.26	395.16	1.89	-61.37
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300030500384	0	54	0.0	-53.72	408.01	2.80	-50.92
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300030500384	1	54	0.0	-59.54	396.17	3.11	-56.43
CC(C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030500410	1	50	0.0	-55.53	378.70	1.51	-54.02
CCC(CC(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030500415	0	58	0.0	-62.56	425.35	2.80	-59.76
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C(C)(C)C[NH+](C)C)C1	REAL300030500422	0	55	0.0	-51.26	395.51	1.85	-49.41
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300030500439	0	55	0.0	-72.94	408.79	1.95	-70.99
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300030500439	1	55	0.0	-59.58	407.43	3.56	-56.02
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C[NH+]2CCC(O)CC2)C1	REAL300030500447	1	54	0.0	-60.93	403.15	-1.28	-62.21
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C[N@H+](C)C2CC2)C1	REAL300030500448	0	50	0.0	-54.99	379.59	1.60	-53.39
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C[N@@H+](C)C2CC2)C1	REAL300030500448	1	50	0.0	-55.47	379.45	1.60	-53.87
CC(C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300030500449	1	58	0.0	-61.80	421.13	0.01	-61.79
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CC2C[NH+](C)C2)C1	REAL300030500467	0	50	0.0	-60.05	381.62	1.01	-59.04
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300030500471	0	57	0.0	-56.58	411.64	2.76	-53.82
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300030500471	1	57	0.0	-55.19	420.84	3.20	-51.99
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2CC[N@@H+]2C(C)(C)C)C1	REAL300030500479	0	56	0.0	-54.43	411.80	1.87	-52.56
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2CC[N@H+]2C(C)(C)C)C1	REAL300030500479	1	56	0.0	-55.63	395.05	1.89	-53.74
C[C@@H](C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030500490	0	49	0.0	-56.50	367.79	0.90	-55.60
CCC1CCC[N@H+](CC(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030500528	0	59	0.0	-54.85	431.37	3.55	-51.30
CCC1CCC[N@@H+](CC(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030500528	1	59	0.0	-54.74	431.38	3.55	-51.19
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2=CC=C(C[NH+](C)C)N2)C1	REAL300030500535	0	54	0.0	-63.99	416.95	1.90	-62.09
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CN2C=CSC2=[NH2+])C1	REAL300030500576	0	46	0.0	-56.60	377.59	0.47	-56.13
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CC[N@H+](C)CCO)C1	REAL300030500586	0	53	0.0	-62.39	400.63	-1.83	-64.22
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CC[N@@H+](C)CCO)C1	REAL300030500586	1	53	0.0	-60.02	400.54	-1.84	-61.86
C[C@@H](C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030500587	0	49	0.0	-56.50	367.79	0.90	-55.60
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1	REAL300030500591	0	53	0.0	-50.57	391.85	2.06	-48.51
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)[C@H]2CCCC[N@H+]2C)C1	REAL300030500591	1	53	0.0	-59.24	379.27	1.56	-57.68
CC1CN2CC[N@@H+]1CC2C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030500599	0	56	0.0	-69.53	403.04	-0.77	-70.30
CC1CN2CC[N@H+]1CC2C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030500599	1	56	0.0	-53.11	398.91	-0.79	-53.90
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CC2=CC3=C[NH+]=CN3C=C2)C1	REAL300030500641	0	51	0.0	-64.48	404.58	4.37	-60.11
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C[N@H+](C)C2CCSC2)C1	REAL300030500663	0	54	0.0	-60.39	409.52	2.41	-57.98
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C[N@@H+](C)C2CCSC2)C1	REAL300030500663	1	54	0.0	-61.73	409.53	2.44	-59.29
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C=C2CC[N@H+](C)C2)C1	REAL300030500693	0	51	0.0	-66.97	388.10	1.79	-65.18
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C=C2CC[N@@H+](C)C2)C1	REAL300030500693	1	51	0.0	-66.08	389.06	1.76	-64.32
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)COCC[NH+](C)C)C1	REAL300030500726	0	53	0.0	-65.06	406.05	1.25	-63.81
CCCCC[N@H+](C)CCC(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030500731	0	61	0.0	-62.10	454.77	3.69	-58.41
CCCCC[N@@H+](C)CCC(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030500731	1	61	0.0	-62.47	454.78	3.70	-58.77
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)C1	REAL300030500740	0	57	0.0	-65.78	425.15	2.43	-63.35
C=CCC(C)(C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030500747	0	56	0.0	-54.05	405.28	2.25	-51.80
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C(O)CC[S+](C)C)C1	REAL300030500752	0	52	0.0	-56.02	415.03	-0.14	-56.16
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2(C)CC(O)C[N@@H+]2C)C1	REAL300030500777	0	54	0.0	-52.35	393.85	-1.55	-53.90
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2CN(C)CC[N@H+](C)C2)C1	REAL300030500787	0	58	0.0	-55.59	421.13	0.17	-55.42
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2CN(C)CC[N@@H+](C)C2)C1	REAL300030500787	1	58	0.0	-55.59	421.13	0.17	-55.42
CC(C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300030500788	0	57	0.0	-55.76	420.33	-0.64	-56.40
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CN2CCC(CO)CC2)C1	REAL300030500797	0	57	0.0	-58.53	423.75	-0.63	-59.16
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C[NH+]2CCC(CO)CC2)C1	REAL300030500797	1	57	0.0	-58.53	423.75	-0.63	-59.16
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CC2(O)CCC[N@H+](C)C2)C1	REAL300030500806	0	57	0.0	-55.29	410.99	0.32	-54.97
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CC2(O)CCC[N@@H+](C)C2)C1	REAL300030500806	1	57	0.0	-55.29	410.99	0.32	-54.97
CC1CN(CC(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030500809	0	50	0.0	-56.63	380.46	1.58	-55.05
CC1C[NH+](CC(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030500809	1	50	0.0	-56.63	380.46	1.58	-55.05
CN(CCO)CC(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030500835	0	50	0.0	-57.73	378.49	-2.12	-59.85
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C[N@H+](C)CCO)C1	REAL300030500835	1	50	0.0	-59.13	378.41	-2.37	-61.50
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C[N@@H+](C)CCO)C1	REAL300030500835	1	50	0.0	-59.13	378.41	-2.37	-61.50
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300030500857	0	56	0.0	-57.59	397.00	-0.49	-58.08
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300030500857	1	56	0.0	-73.60	397.13	0.02	-73.58
CC[N@@H+]1CCCC(C(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030500863	0	56	0.0	-51.89	404.79	2.88	-49.01
CC[N@H+]1CCCC(C(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030500863	1	56	0.0	-59.21	412.42	2.47	-56.74
CC(CC(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030500865	0	55	0.0	-63.64	407.28	2.18	-61.46
CC[N@H+](C)CC(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030500875	0	49	0.0	-55.45	368.14	1.12	-54.33
CC[N@@H+](C)CC(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030500875	1	49	0.0	-57.57	368.00	0.88	-56.69
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300030500897	0	57	0.0	-67.54	406.70	1.90	-65.64
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C23CCC[N@H+]2CCCC3)C1	REAL300030500897	1	57	0.0	-66.27	406.06	1.93	-64.34
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300030500902	0	55	0.0	-58.33	394.17	2.88	-55.45
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300030500902	1	55	0.0	-61.93	396.10	2.70	-59.23
CC[N@H+](CC(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030500922	0	53	0.0	-55.18	399.34	2.23	-52.95
CC[N@@H+](CC(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030500922	1	53	0.0	-55.56	396.21	2.20	-53.36
CC[NH+](CC)CCC(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030500937	0	55	0.0	-60.98	403.91	1.81	-59.17
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C=C2CC[NH+](C)CC2)C1	REAL300030500948	0	54	0.0	-67.31	403.74	2.46	-64.85
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C[N@@H+]2CCC(C)(O)C2)C1	REAL300030500982	0	54	0.0	-54.55	406.20	-1.19	-55.74
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C[N@H+]2CCC(C)(O)C2)C1	REAL300030500982	1	54	0.0	-54.03	406.65	-1.18	-55.21
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C=CC[NH+](C)C)C1	REAL300030500989	0	50	0.0	-64.38	386.15	1.40	-62.98
CC(OCC[NH+](C)C)C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030501010	0	56	0.0	-64.36	425.84	1.94	-62.42
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CCOCC[NH+](C)C)C1	REAL300030501018	0	56	0.0	-62.51	427.00	0.97	-61.54
COCC[N@H+](C)CC(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030501019	1	53	0.0	-59.46	400.66	0.04	-59.42
COCC[N@@H+](C)CC(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030501019	1	53	0.0	-57.58	400.74	0.28	-57.30
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2([NH+](C)C)CCCC2)C1	REAL300030501048	0	56	0.0	-78.44	401.17	2.00	-76.44
CC(CCC(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030501051	0	55	0.0	-61.89	407.48	1.91	-59.98
CC[N@@H+]1CCC1C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030501058	1	50	0.0	-55.98	375.16	0.94	-55.04
CC[N@H+]1CCC1C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030501058	1	50	0.0	-57.26	375.31	0.97	-56.29
CC(C)[N@@H+]1CCCC(C(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030501068	0	59	0.0	-55.81	422.83	3.19	-52.62
CC(C)[N@H+]1CCCC(C(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030501068	1	59	0.0	-57.72	429.29	3.21	-54.51
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C[N@@H+]2CCCC2CO)C1	REAL300030501080	0	54	0.0	-54.03	399.63	-1.58	-55.61
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C[N@H+]2CCCC2CO)C1	REAL300030501080	1	54	0.0	-56.21	399.86	-1.75	-57.96
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300030501102	0	57	0.0	-64.06	417.76	2.98	-61.08
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300030501102	1	57	0.0	-60.97	417.91	3.18	-57.79
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2(C)CC[NH+](C)CC2)C1	REAL300030501108	0	56	0.0	-50.15	405.31	2.50	-47.65
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2=CC(C[NH+](C)C)=CN2)C1	REAL300030501114	0	54	0.0	-64.44	416.79	1.72	-62.72
CC(C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300030501128	1	57	0.0	-55.16	420.76	-0.83	-55.99
C=CCC(C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030501136	0	53	0.0	-52.43	393.53	1.73	-50.70
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2CC(C)(C)C[N@@H+]2C)C1	REAL300030501146	0	56	0.0	-51.58	409.05	1.85	-49.73
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2CC(C)(C)C[N@H+]2C)C1	REAL300030501146	1	56	0.0	-51.21	410.19	2.13	-49.08
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CCCCC[NH+](C)C)C1	REAL300030501150	0	58	0.0	-67.37	437.04	3.10	-64.27
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C[NH+]2CC3CC3C2)C1	REAL300030501158	0	51	0.0	-54.77	385.74	2.33	-52.44
CC1C[N@@H+]2CCN1C(C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030501184	0	56	0.0	-72.73	403.20	-0.76	-73.49
CC1C[N@H+]2CCN1C(C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030501184	1	56	0.0	-72.29	403.50	-0.82	-73.11
CCCC(C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030501185	0	55	0.0	-54.35	404.64	2.59	-51.76
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C(C)(C)[NH+](C)C)C1	REAL300030501189	0	52	0.0	-62.00	377.03	1.44	-60.56
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2CCCC[N@@H+]2C)C1	REAL300030501227	0	53	0.0	-58.48	392.33	1.92	-56.56
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2CCCC[N@H+]2C)C1	REAL300030501227	1	53	0.0	-56.33	391.32	1.99	-54.34
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CC2=CC[N@H+](C)CC2)C1	REAL300030501260	0	54	0.0	-63.30	409.55	2.77	-60.53
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CC2=CC[N@@H+](C)CC2)C1	REAL300030501260	1	54	0.0	-62.18	409.32	2.50	-59.68
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CC2([NH+]3CCCC3)CC2)C1	REAL300030501269	0	57	0.0	-55.48	415.56	3.17	-52.31
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2=CC=C(C[NH+](C)C)O2)C1	REAL300030501313	1	53	0.0	-72.07	413.67	1.90	-70.17
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C=CC[NH+]2CCCC2)C1	REAL300030501329	0	54	0.0	-63.56	412.49	2.61	-60.95
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300030501349	0	57	0.0	-64.92	419.59	3.07	-61.85
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2([NH+](C)C)CC2)C1	REAL300030501368	0	50	0.0	-62.73	372.65	1.48	-61.25
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CC[NH+]2CCCC2)C1	REAL300030501370	0	53	0.0	-60.25	398.51	1.91	-58.34
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2C[NH+]3CCN2CC3)C1	REAL300030501404	0	53	0.0	-71.88	386.43	-1.31	-73.19
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C23CC(C2)C[N@@H+]3C)C1	REAL300030501414	0	51	0.0	-58.02	380.54	1.37	-56.65
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C23CC(C2)C[N@H+]3C)C1	REAL300030501414	1	51	0.0	-76.60	384.61	0.59	-76.01
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300030501426	0	54	0.0	-56.01	396.81	2.30	-53.71
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C[N@H+]2CC3CCC2C3)C1	REAL300030501426	1	54	0.0	-53.88	394.55	2.09	-51.79
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C=C2C[NH+]3CCC2CC3)C1	REAL300030501466	0	55	0.0	-60.81	406.41	2.60	-58.21
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300030501476	1	52	0.0	-51.97	389.23	2.30	-49.67
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300030501476	1	52	0.0	-54.74	389.47	2.30	-52.44
CC[NH+]1CCN(CC(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030501506	0	58	0.0	-62.92	426.67	0.58	-62.34
CC(C[NH+](C)C)C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030501522	0	52	0.0	-59.28	387.82	1.60	-57.68
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CC2CCCC[N@@H+]2C)C1	REAL300030501588	0	56	0.0	-61.47	409.19	2.44	-59.03
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CC2CCCC[N@H+]2C)C1	REAL300030501588	1	56	0.0	-49.50	402.33	2.36	-47.14
CC1=C2C=C(C(=O)NCC3CN(C)CCN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030501604	1	51	0.0	-63.19	402.54	4.52	-58.67
CC(C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300030501605	1	53	0.0	-53.50	399.17	2.09	-51.41
CC1CC[N@@H+]1CC(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030501608	1	50	0.0	-53.86	376.10	1.24	-52.62
CC1CC[N@H+]1CC(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030501608	1	50	0.0	-55.63	381.48	1.31	-54.32
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CC(O)C[NH+](C)C)C1	REAL300030501612	0	53	0.0	-66.92	402.88	-0.81	-67.73
CC1C[N@H+](C)CC(C(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030501638	1	54	0.0	-76.52	402.52	0.46	-76.06
CC1C[N@@H+](C)CC(C(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030501638	1	54	0.0	-75.29	402.91	0.31	-74.98
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CC[NH+]2CCC(O)CC2)C1	REAL300030501647	0	57	0.0	-62.71	424.82	-0.76	-63.47
CCC[N@@H+]1CCCCC1C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030501649	0	59	0.0	-55.15	431.04	3.41	-51.74
CCC[N@H+]1CCCCC1C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030501649	1	59	0.0	-57.10	431.69	3.28	-53.82
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)[C@H]2C[C@H]([NH+](C)C)C2)C1	REAL300030501717	0	53	0.0	-56.70	399.97	2.17	-54.53
CC(CC[NH+](C)C)C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030501725	0	55	0.0	-65.12	410.23	2.10	-63.02
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)C1	REAL300030501745	0	57	0.0	-56.07	420.86	-0.40	-56.47
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)C1	REAL300030501745	1	57	0.0	-55.55	421.44	-0.56	-56.11
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CN2CC[NH+](C)CC2)C1	REAL300030501754	1	55	0.0	-64.48	409.44	-0.06	-64.54
CC[NH+]1CCN(CC(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030501763	0	58	0.0	-62.92	426.67	0.58	-62.34
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CSC(N)=[NH2+])C1	REAL300030501787	0	44	0.0	-61.94	358.71	-2.94	-64.88
CC[N@@H+]1CCOCC1CC(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030501820	0	57	0.0	-62.28	418.38	0.68	-61.60
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2CCC([NH+](C)C)CC2)C1	REAL300030501835	0	59	0.0	-66.78	422.82	2.97	-63.81
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2(CC[NH+](C)C)CC2)C1	REAL300030501836	0	56	0.0	-80.03	424.64	1.89	-78.14
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C1	REAL300030501838	0	59	0.0	-49.88	420.20	3.11	-46.77
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CC2CC=CC[N@@H+]2C)C1	REAL300030501839	0	54	0.0	-58.69	400.40	2.51	-56.18
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CC2CC=CC[N@H+]2C)C1	REAL300030501839	1	54	0.0	-58.69	400.40	2.51	-56.18
C[C@@H](OCC[NH+](C)C)C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030501860	0	56	0.0	-65.19	425.85	1.94	-63.25
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2CC3CCC(C2)[NH+]3C)C1	REAL300030501885	0	57	0.0	-61.28	392.30	2.86	-58.42
CC(C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1)N1CCSCC1	REAL300030501987	0	54	0.0	-56.89	404.52	2.10	-54.79
CC(C(=O)NCC1CN(C)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300030501987	1	54	0.0	-56.89	404.52	2.10	-54.79
CCC1CN(CC(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030501989	0	53	0.0	-58.34	402.82	2.05	-56.29
CCC1C[NH+](CC(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030501989	1	53	0.0	-58.34	402.82	2.05	-56.29
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300030501991	0	57	0.0	-74.61	410.96	1.99	-72.62
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1	REAL300030501999	0	50	0.0	-55.37	376.48	1.46	-53.91
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CC[N@@H+]2CCC(F)C2)C1	REAL300030502006	0	53	0.0	-65.85	404.38	2.00	-63.85
COC1C[N@H+](C)C(C)(C(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030502014	0	57	0.0	-48.83	419.64	0.89	-47.94
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CC[NH+]2CCCCCC2)C1	REAL300030502022	0	59	0.0	-60.78	424.20	2.81	-57.97
CC1C(C(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030502034	0	53	0.0	-65.64	387.64	1.47	-64.17
CC1C(C(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030502034	1	53	0.0	-65.64	387.64	1.47	-64.17
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CCC2CCCC[N@@H+]2C)C1	REAL300030502036	0	59	0.0	-57.00	424.27	3.15	-53.85
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CCC2CCCC[N@H+]2C)C1	REAL300030502036	1	59	0.0	-57.00	424.27	3.15	-53.85
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300030502061	0	55	0.0	-61.60	404.89	0.75	-60.85
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2CC[N@H+]3CCOCC23)C1	REAL300030502061	1	55	0.0	-61.60	404.89	0.75	-60.85
CC1=[NH+]C=C2C=CC(C(=O)NCC3CN(C)CCN3C(=O)C3=CC(=O)[N-]O3)=CN21	REAL300030502066	0	51	0.0	-58.78	401.96	3.71	-55.07
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CC2COCCN2C)C1	REAL300030502079	0	54	0.0	-50.36	393.40	0.10	-50.26
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CC2COCC[N@@H+]2C)C1	REAL300030502079	1	54	0.0	-58.18	393.38	0.07	-58.11
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CC2COCC[N@H+]2C)C1	REAL300030502079	1	54	0.0	-58.18	393.38	0.07	-58.11
CN1CCN(C(=O)C=CC2=CC=CO2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502120	0	46	0.0	-83.52	371.77	3.90	-79.62
C[N@@H+]1CCN(C(=O)C=CC2=CC=CO2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502120	1	46	0.0	-83.84	372.36	3.86	-79.98
C[N@H+]1CCN(C(=O)C=CC2=CC=CO2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502120	1	46	0.0	-83.84	372.36	3.86	-79.98
CC(C)=CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030502136	0	45	0.0	-74.38	351.79	2.98	-71.40
CC(C)=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030502136	1	45	0.0	-83.32	341.98	2.94	-80.38
CC(C)=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030502136	1	45	0.0	-83.32	341.98	2.94	-80.38
CC(=CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030502212	0	49	0.0	-83.58	376.67	4.87	-78.71
CC(=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030502212	1	49	0.0	-73.63	380.64	4.40	-69.23
CC(=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030502212	1	49	0.0	-73.63	380.64	4.40	-69.23
CN1CCN(C(=O)C=C2CCCCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502221	0	52	0.0	-84.90	383.34	4.74	-80.16
C[N@@H+]1CCN(C(=O)C=C2CCCCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502221	1	52	0.0	-84.10	390.71	5.36	-78.74
C[N@H+]1CCN(C(=O)C=C2CCCCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502221	1	52	0.0	-84.10	390.71	5.36	-78.74
CN1CCN(C(=O)CC2=CCCCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502253	0	52	0.0	-80.15	397.35	4.43	-75.72
C[N@@H+]1CCN(C(=O)CC2=CCCCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502253	1	52	0.0	-79.66	397.85	4.44	-75.22
C[N@H+]1CCN(C(=O)CC2=CCCCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502253	1	52	0.0	-79.66	397.85	4.44	-75.22
CN1CCN(C(=O)C2CCC[N@@H+]2C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502256	0	50	0.0	-63.56	372.09	1.07	-62.49
CN1CCN(C(=O)C2CCC[N@H+]2C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502256	1	50	0.0	-63.56	372.09	1.07	-62.49
CN1CCN(C(=O)C=CC(C)(C)C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502258	0	51	0.0	-84.41	383.56	4.14	-80.27
C[N@@H+]1CCN(C(=O)C=CC(C)(C)C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502258	1	51	0.0	-84.46	383.66	4.13	-80.33
C[N@H+]1CCN(C(=O)C=CC(C)(C)C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502258	1	51	0.0	-84.46	383.66	4.13	-80.33
CC1=NNC(CC(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030502306	0	48	0.0	-88.61	376.43	0.65	-87.96
CC1=NNC(CC(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030502306	1	48	0.0	-84.81	385.55	1.58	-83.23
CC1=NNC(CC(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030502306	1	48	0.0	-84.81	385.55	1.58	-83.23
CN1CCN(C(=O)C=C2CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502307	0	46	0.0	-83.80	358.84	4.14	-79.66
C[N@@H+]1CCN(C(=O)C=C2CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502307	1	46	0.0	-75.51	361.52	3.68	-71.83
C[N@H+]1CCN(C(=O)C=C2CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502307	1	46	0.0	-75.51	361.52	3.68	-71.83
CCC(=CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1)CC	REAL300030502309	0	51	0.0	-82.24	389.48	4.93	-77.31
CCC(=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1)CC	REAL300030502309	1	51	0.0	-74.39	391.11	4.48	-69.91
CCC(=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1)CC	REAL300030502309	1	51	0.0	-74.39	391.11	4.48	-69.91
CN1CCN(C(=O)C2=CC(=O)NC=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502310	0	45	0.0	-90.90	367.99	0.74	-90.16
C[N@@H+]1CCN(C(=O)C2=CC(=O)NC=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502310	1	45	0.0	-100.77	352.93	0.51	-100.26
C[N@H+]1CCN(C(=O)C2=CC(=O)NC=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502310	1	45	0.0	-100.77	352.93	0.51	-100.26
C#CCNC(=O)CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030502342	0	47	0.0	-93.14	377.83	0.94	-92.20
C#CCNC(=O)CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030502342	1	47	0.0	-92.74	385.30	1.43	-91.31
C#CCNC(=O)CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030502342	1	47	0.0	-92.74	385.30	1.43	-91.31
CCNC(=O)CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030502343	0	48	0.0	-93.47	379.53	0.93	-92.54
CCNC(=O)CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030502343	1	48	0.0	-94.14	379.04	0.92	-93.22
CCNC(=O)CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030502343	1	48	0.0	-94.14	379.04	0.92	-93.22
CN1CCN(C(=O)C=CC2=CC=CN2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502359	0	47	0.0	-78.92	377.30	3.10	-75.82
C[N@@H+]1CCN(C(=O)C=CC2=CC=CN2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502359	1	47	0.0	-88.12	374.60	3.56	-84.56
C[N@H+]1CCN(C(=O)C=CC2=CC=CN2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502359	1	47	0.0	-88.12	374.60	3.56	-84.56
CCC(C)=CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030502402	0	48	0.0	-82.43	370.80	4.25	-78.18
CCC(C)=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030502402	1	48	0.0	-82.29	363.19	3.80	-78.49
CCC(C)=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030502402	1	48	0.0	-82.29	363.19	3.80	-78.49
CC1=NC=CN1CCCC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030502440	0	54	0.0	-69.90	425.94	2.52	-67.38
CC1=[NH+]C=CN1CCCC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030502440	1	54	0.0	-69.90	425.94	2.52	-67.38
CN1CCN(C(=O)CCN2CCOCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502444	0	54	0.0	-76.98	410.24	-0.37	-77.35
CN1CCN(C(=O)CC[NH+]2CCOCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502444	1	54	0.0	-76.98	410.24	-0.37	-77.35
CN1CCN(C(=O)C2=CN(C)C(=O)C=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502455	0	48	0.0	-90.12	372.43	2.41	-87.71
CN1C=C(C(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)C=CC1=O	REAL300030502455	1	48	0.0	-90.54	373.11	2.36	-88.18
CN1C=C(C(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)C=CC1=O	REAL300030502455	1	48	0.0	-90.54	373.11	2.36	-88.18
CN1CCN(C(=O)C2=CC3=CN=CN3C=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502466	0	48	0.0	-74.56	385.50	3.71	-70.85
CN1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502466	1	48	0.0	-74.56	385.50	3.71	-70.85
CN1CCN(C(=O)C2CCCC([NH+](C)C)C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502509	0	59	0.0	-49.23	420.29	3.09	-46.14
CN1CCN(C(=O)CC2CC[N@H+](C)C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502512	0	53	0.0	-74.62	401.56	1.17	-73.45
CN1CCN(C(=O)CC2CC[N@@H+](C)C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502512	1	53	0.0	-74.62	401.56	1.17	-73.45
CCC(C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030502526	0	52	0.0	-68.40	382.51	0.49	-67.91
CCC1=NN(C)C(CC(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030502554	0	54	0.0	-86.99	427.33	3.53	-83.46
CCC1=NN(C)C(CC(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030502554	1	54	0.0	-90.86	418.21	2.60	-88.26
CCC1=NN(C)C(CC(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030502554	1	54	0.0	-90.86	418.21	2.60	-88.26
CN1CCN(C(=O)C2=CC=CN(C)C2=O)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502577	0	48	0.0	-84.49	380.97	2.91	-81.58
CN1C=CC=C(C(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1=O	REAL300030502577	1	48	0.0	-79.69	368.15	2.18	-77.51
CN1C=CC=C(C(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1=O	REAL300030502577	1	48	0.0	-79.69	368.15	2.18	-77.51
CN1CCN(C(=O)CCCC[NH+](C)C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502580	0	55	0.0	-75.13	420.33	1.75	-73.38
CCC[N@H+](C)CCC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030502600	0	55	0.0	-75.07	416.56	1.58	-73.49
CCC[N@@H+](C)CCC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030502600	1	55	0.0	-75.07	416.56	1.58	-73.49
CCC[N@H+](C)CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030502604	0	52	0.0	-72.14	394.17	1.02	-71.12
CCC[N@@H+](C)CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030502604	1	52	0.0	-72.14	394.17	1.02	-71.12
CN1CCN(C(=O)C23CC[N@H+](C2)CCC3)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502621	0	54	0.0	-69.12	387.56	1.42	-67.70
CN1CCN(C(=O)C23CC[N@@H+](C2)CCC3)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502621	1	54	0.0	-69.12	387.56	1.42	-67.70
CCCCCC[N@H+](C)CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030502641	0	61	0.0	-73.10	458.02	3.31	-69.79
CCCCCC[N@@H+](C)CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030502641	1	61	0.0	-73.10	458.02	3.31	-69.79
CC1CC[NH+](CC(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030502672	0	56	0.0	-73.13	417.51	2.08	-71.05
CN1CCN(C(=O)COC2CC[NH+](C)CC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502693	0	57	0.0	-79.54	434.93	1.56	-77.98
CCC1=CNC(=O)C(C(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030502712	0	51	0.0	-83.55	403.56	2.44	-81.11
CCC1=CNC(=O)C(C(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030502712	1	51	0.0	-80.20	390.57	1.72	-78.48
CCC1=CNC(=O)C(C(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030502712	1	51	0.0	-80.20	390.57	1.72	-78.48
CN1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502727	0	57	0.0	-71.13	418.79	2.08	-69.05
CN1CCN(C(=O)C2CC3CCCC[N@H+]3C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502727	1	57	0.0	-71.13	418.79	2.08	-69.05
CN1CCN(C(=O)C2(C[NH+](C)C)CC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502736	0	53	0.0	-66.94	398.35	1.92	-65.02
CC(C)[NH+]1CCC(C(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030502746	0	59	0.0	-70.47	430.30	3.17	-67.30
CC[N@H+](C)CCC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030502764	0	52	0.0	-74.28	395.07	0.83	-73.45
CC[N@@H+](C)CCC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030502764	1	52	0.0	-74.28	395.07	0.83	-73.45
CN1CCN(C(=O)C2C[NH+]3CCC2CC3)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502791	0	54	0.0	-80.82	391.84	1.08	-79.74
CC1=CC=CC(CC(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030502836	0	51	0.0	-82.11	403.28	4.90	-77.21
CC1=CC=CC(CC(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030502836	1	51	0.0	-79.90	405.20	5.35	-74.55
CC1=CC=CC(CC(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030502836	1	51	0.0	-79.90	405.20	5.35	-74.55
CC1=CC(CC(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)=CC(C)=C1	REAL300030502844	0	54	0.0	-82.63	417.41	5.07	-77.56
CC1=CC(CC(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=CC(C)=C1	REAL300030502844	1	54	0.0	-79.84	426.53	6.00	-73.84
CC1=CC(CC(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=CC(C)=C1	REAL300030502844	1	54	0.0	-79.84	426.53	6.00	-73.84
CN1CCN(C(=O)C2CC[NH+](C)CC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502851	0	53	0.0	-73.06	395.61	2.03	-71.03
CC1=CC=C(C)C(CC(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030502852	1	54	0.0	-82.55	420.06	5.39	-77.16
CC1=CC=C(C)C(CC(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030502852	1	54	0.0	-79.93	421.88	5.83	-74.10
C[N@@H+]1CCN(C(=O)CC2=CCOCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502858	1	50	0.0	-81.71	388.48	2.03	-79.68
C[N@H+]1CCN(C(=O)CC2=CCOCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502858	1	50	0.0	-81.10	388.84	2.04	-79.06
COC1=CC=C(CC(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300030502877	1	52	0.0	-84.51	411.46	3.54	-80.97
COC1=CC=C(CC(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300030502877	1	52	0.0	-84.98	410.98	3.51	-81.47
C[N@@H+]1CCN(C(=O)CC2=CC=C(Cl)C=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502882	1	48	0.0	-84.33	391.23	4.25	-80.08
C[N@H+]1CCN(C(=O)CC2=CC=C(Cl)C=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502882	1	48	0.0	-84.00	398.69	4.76	-79.24
C[N@@H+]1CCN(C(=O)CC2=CC=C(F)C=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502884	1	48	0.0	-85.53	380.91	3.80	-81.73
C[N@H+]1CCN(C(=O)CC2=CC=C(F)C=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502884	1	48	0.0	-85.12	388.37	4.30	-80.82
C[N@@H+]1CCN(C(=O)CC(=O)NCC2CC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502894	1	52	0.0	-94.11	410.57	2.47	-91.64
C[N@H+]1CCN(C(=O)CC(=O)NCC2CC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502894	1	52	0.0	-93.54	411.07	2.48	-91.06
CC1=CC=CC(C)=C1CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030502917	1	54	0.0	-84.12	415.49	5.28	-78.84
CC1=CC=CC(C)=C1CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030502917	1	54	0.0	-83.40	416.06	5.25	-78.15
CC[NH+](CC)CC(F)C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030502931	0	55	0.0	-69.48	414.99	2.54	-66.94
CC(C)C[N@@H+]1CCC(C(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502953	0	59	0.0	-71.91	434.79	2.40	-69.51
CC(C)C[N@H+]1CCC(C(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502953	1	59	0.0	-72.06	434.63	2.38	-69.68
CC1=CC(=O)NC=C1C(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030502973	1	48	0.0	-91.77	377.50	1.31	-90.46
CC1=CC(=O)NC=C1C(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030502973	1	48	0.0	-91.09	384.48	1.79	-89.30
CCC(C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300030502977	0	58	0.0	-64.64	412.57	2.96	-61.68
CC1CCC[N@@H+]1CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030502993	0	53	0.0	-67.94	392.86	0.92	-67.02
CC1CCC[N@H+]1CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030502993	1	53	0.0	-69.22	398.75	1.30	-67.92
C[N@@H+]1CCN(C(=O)C2=CNC(=O)C=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503005	1	45	0.0	-90.09	352.49	0.50	-89.59
C[N@H+]1CCN(C(=O)C2=CNC(=O)C=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503005	1	45	0.0	-89.38	367.91	0.70	-88.68
CC(C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300030503037	0	59	0.0	-61.81	418.06	2.92	-58.89
CC(C)[N@@H+]1CCCC1C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030503055	0	56	0.0	-66.82	413.68	1.49	-65.33
CC(C)[N@H+]1CCCC1C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030503055	1	56	0.0	-64.16	403.09	2.84	-61.32
CC(C)[N@@H+]1CCCC1CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030503060	0	59	0.0	-56.47	419.68	3.07	-53.40
CC(C)[N@H+]1CCCC1CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030503060	1	59	0.0	-65.10	427.14	2.80	-62.30
C[N@@H+]1CCN(C(=O)C2=CC(=O)NN=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503077	1	44	0.0	-92.15	350.49	-0.89	-93.04
C[N@H+]1CCN(C(=O)C2=CC(=O)NN=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503077	1	44	0.0	-95.36	353.91	-0.47	-95.83
CC1CC[N@H+](CC(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503087	0	53	0.0	-70.73	400.66	1.22	-69.51
CC1CC[N@@H+](CC(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503087	1	53	0.0	-71.42	399.54	1.28	-70.14
CN1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503090	0	56	0.0	-71.89	420.36	1.81	-70.08
CN1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503090	1	56	0.0	-71.47	419.99	1.81	-69.66
CN1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503091	0	58	0.0	-71.62	424.58	2.10	-69.52
CN1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503091	1	58	0.0	-72.22	421.98	1.97	-70.25
CC[C@@H](C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030503098	0	52	0.0	-58.71	379.95	1.38	-57.33
COC1=CC(=O)NC=C1C(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030503105	1	49	0.0	-88.37	390.87	0.59	-87.78
COC1=CC(=O)NC=C1C(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030503105	1	49	0.0	-88.64	375.46	-0.05	-88.69
CC1=CC=C(CC(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)C=C1C	REAL300030503128	1	54	0.0	-82.45	413.01	4.95	-77.50
CC1=CC=C(CC(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)C=C1C	REAL300030503128	1	54	0.0	-79.79	422.13	5.88	-73.91
CC1=CC=CC=C1CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030503148	1	51	0.0	-82.48	398.65	4.72	-77.76
CC1=CC=CC=C1CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030503148	1	51	0.0	-79.79	400.49	5.16	-74.63
C[N@@H+]1CCN(C(=O)CC2=CC=C3CCCC3=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503159	1	55	0.0	-82.97	420.24	5.62	-77.35
C[N@H+]1CCN(C(=O)CC2=CC=C3CCCC3=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503159	1	55	0.0	-80.52	429.24	6.58	-73.94
CCC1=CC=CC=C1CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030503179	1	54	0.0	-80.39	419.37	5.82	-74.57
CCC1=CC=CC=C1CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030503179	1	54	0.0	-82.77	410.40	4.88	-77.89
CCC1=CC=CC(CC(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030503182	1	54	0.0	-79.63	426.61	6.11	-73.52
CCC1=CC=CC(CC(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030503182	1	54	0.0	-81.92	424.77	5.66	-76.26
CC1=CC=C(C(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300030503229	1	48	0.0	-78.21	369.16	0.87	-77.34
CC1=CC=C(C(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300030503229	1	48	0.0	-83.32	382.26	1.61	-81.71
CCC1=CC=C(CC(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300030503243	1	54	0.0	-81.85	424.85	5.68	-76.17
CCC1=CC=C(CC(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300030503243	1	54	0.0	-82.27	417.39	5.18	-77.09
CC1=[NH+]C=CN1CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030503266	1	48	0.0	-66.85	383.73	1.16	-65.69
CC(C[NH+]1CCOCC1)C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030503267	1	57	0.0	-66.69	422.60	1.06	-65.63
CN1CCN(C(=O)CCC[NH+]2CCCCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503280	0	59	0.0	-73.30	439.99	2.86	-70.44
CC1=C(C(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300030503291	0	51	0.0	-73.16	406.34	4.30	-68.86
C[N@@H+]1CCN(C(=O)C2=CNC3=CC=CC=C23)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503301	1	49	0.0	-97.58	380.44	3.57	-94.01
C[N@H+]1CCN(C(=O)C2=CNC3=CC=CC=C23)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503301	1	49	0.0	-91.74	387.68	4.13	-87.61
CC1=CC=C(CC(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300030503310	1	51	0.0	-82.51	395.90	4.41	-78.10
CC1=CC=C(CC(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300030503310	1	51	0.0	-82.58	402.83	4.87	-77.71
CC(C)C1=[NH+]C=CN1CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030503321	1	54	0.0	-59.28	421.25	3.14	-56.14
CN(C)C(=O)CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030503333	1	48	0.0	-89.32	377.64	2.66	-86.66
CN(C)C(=O)CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030503333	1	48	0.0	-95.17	368.34	1.53	-93.64
CN1CCN(C(=O)C2CCCC3CCC[N@@H+]32)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503349	0	57	0.0	-63.70	406.26	2.48	-61.22
CN1CCN(C(=O)C2CCCC3CCC[N@H+]32)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503349	1	57	0.0	-57.91	416.09	3.15	-54.76
CC[N@@H+]1CCOC(C(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503363	1	54	0.0	-79.23	404.85	1.22	-78.01
CC[N@H+]1CCOC(C(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503363	1	54	0.0	-83.48	404.66	0.28	-83.20
CC1=NN(C)C(CC(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030503386	1	51	0.0	-87.29	405.90	2.78	-84.51
CC1=NN(C)C(CC(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030503386	1	51	0.0	-91.26	396.79	1.84	-89.42
CN1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503399	0	48	0.0	-70.00	385.38	3.69	-66.31
CC1=C[NH+]=CN1CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030503404	1	48	0.0	-69.96	384.70	1.93	-68.03
C[C@@H]1[C@H](C(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030503415	0	53	0.0	-76.57	390.57	0.58	-75.99
C[C@@H]1[C@H](C(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030503415	1	53	0.0	-74.30	394.18	1.36	-72.94
CC[C@@H]1[C@@H](C(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030503418	0	56	0.0	-69.65	410.84	2.14	-67.51
CC[C@@H]1[C@@H](C(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030503418	1	56	0.0	-71.43	411.19	1.64	-69.79
CC1CCC(C)[NH+]1CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030503426	0	56	0.0	-67.98	412.04	1.47	-66.51
CN1CCN(C(=O)CCC[NH+]2CCCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503432	0	56	0.0	-72.94	424.77	2.18	-70.76
C[N@@H+]1CCN(C(=O)CC2=C3C=CC=CC3=NN2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503433	1	51	0.0	-93.97	401.61	2.29	-91.68
C[N@H+]1CCN(C(=O)CC2=C3C=CC=CC3=NN2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503433	1	51	0.0	-87.87	410.61	3.23	-84.64
C#CC[NH+]1CCC(C(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030503437	0	55	0.0	-72.71	420.34	3.16	-69.55
CN1CCN(C(=O)CC[NH+]2CCCCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503438	0	56	0.0	-73.48	418.99	2.06	-71.42
CCC1=CC(C(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=CC(=O)N1	REAL300030503445	1	51	0.0	-88.02	411.53	2.03	-85.99
CCC1=CC(C(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=CC(=O)N1	REAL300030503445	1	51	0.0	-94.66	398.56	1.88	-92.78
C[N@@H+]1CCN(C(=O)CC2=CNC(=O)C=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503451	1	48	0.0	-95.62	379.32	0.62	-95.00
C[N@H+]1CCN(C(=O)CC2=CNC(=O)C=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503451	1	48	0.0	-88.32	388.32	1.55	-86.77
C[N@@H+]1CCN(C(=O)CC2=CC=CC(C3CC3)=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503457	1	55	0.0	-82.34	431.14	6.33	-76.01
C[N@H+]1CCN(C(=O)CC2=CC=CC(C3CC3)=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503457	1	55	0.0	-80.38	432.93	6.76	-73.62
CN1CCN(C(=O)CC2([NH+](C)C)CCCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503470	0	59	0.0	-73.51	414.82	2.82	-70.69
CC1=CC=C2NC=C(C(=O)N3CC[N@@H+](C)CC3CNC(=O)C3=CC(=O)[N-]O3)C2=C1	REAL300030503516	1	52	0.0	-97.80	401.80	4.24	-93.56
CC1=CC=C2NC=C(C(=O)N3CC[N@H+](C)CC3CNC(=O)C3=CC(=O)[N-]O3)C2=C1	REAL300030503516	1	52	0.0	-78.84	413.26	4.34	-74.50
CN1CCN(C(=O)C[N@H+](C)C2CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503578	0	53	0.0	-69.64	400.53	1.54	-68.10
CN1CCN(C(=O)C[N@@H+](C)C2CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503578	1	53	0.0	-69.11	400.39	1.53	-67.58
CC(C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300030503595	0	59	0.0	-62.46	423.71	2.81	-59.65
CN1CCN(C(=O)CCCC[NH+]2CCCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503607	0	59	0.0	-73.60	446.30	2.93	-70.67
CN1CCN(C(=O)C2CC[NH+](C)CC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503618	0	53	0.0	-73.06	395.61	2.03	-71.03
CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503647	0	50	0.0	-68.39	377.68	0.45	-67.94
CN1CCN(C(=O)[C@H]2CCC[N@H+]2C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503647	1	50	0.0	-70.62	373.49	0.09	-70.53
CN1CCN(C(=O)CCC2CCC[N@@H+]2C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503671	0	56	0.0	-70.99	415.53	1.62	-69.37
CN1CCN(C(=O)CCC2CCC[N@H+]2C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503671	1	56	0.0	-77.17	422.32	2.10	-75.07
C[N@@H+]1CCN(C(=O)CC=CCC2=CC=CC=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503673	1	55	0.0	-81.63	430.07	5.94	-75.69
C[N@H+]1CCN(C(=O)CC=CCC2=CC=CC=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503673	1	55	0.0	-81.22	437.54	6.43	-74.79
CN1CCN(C(=O)C2CCC3CCCC[N@@H+]32)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503680	0	57	0.0	-66.33	418.15	2.31	-64.02
CN1CCN(C(=O)C2CCC3CCCC[N@H+]32)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503680	1	57	0.0	-66.91	418.79	2.33	-64.58
CCC[N@@H+]1CCCC(C(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503733	0	59	0.0	-56.31	427.41	3.60	-52.71
CCC[N@H+]1CCCC(C(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503733	1	59	0.0	-58.16	427.33	3.57	-54.59
CC(C)[N@@H+]1CCOC(C(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503744	1	57	0.0	-81.06	421.90	0.83	-80.23
CC(C)[N@H+]1CCOC(C(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503744	1	57	0.0	-77.38	420.62	1.67	-75.71
CN1C=CC(C(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030503774	1	48	0.0	-101.08	373.22	2.41	-98.67
CN1C=CC(C(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030503774	1	48	0.0	-91.23	388.19	2.63	-88.60
CC1=C2C(C(=O)N3CC[N@@H+](C)CC3CNC(=O)C3=CC(=O)[N-]O3)=CNC2=CC=C1	REAL300030503791	1	52	0.0	-87.22	397.85	4.33	-82.89
CC1=C2C(C(=O)N3CC[N@H+](C)CC3CNC(=O)C3=CC(=O)[N-]O3)=CNC2=CC=C1	REAL300030503791	1	52	0.0	-86.83	405.10	4.81	-82.02
CN1CCN(C(=O)C[NH+]2CCC(CO)CC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503792	0	57	0.0	-73.73	428.36	-1.23	-74.96
C[N@@H+]1CCN(C(=O)C=CC(N)=O)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503805	1	43	0.0	-82.68	349.24	-1.18	-83.86
C[N@H+]1CCN(C(=O)C=CC(N)=O)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503805	1	43	0.0	-83.23	349.76	-1.20	-84.43
COC(=O)CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030503812	1	44	0.0	-90.08	353.90	2.01	-88.07
COC(=O)CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030503812	1	44	0.0	-90.53	346.43	1.53	-89.00
CSC=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030503816	1	43	0.0	-81.54	355.38	3.09	-78.45
CSC=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030503816	1	43	0.0	-81.07	354.86	3.12	-77.95
CN1C(=O)CSC1=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030503828	1	48	0.0	-89.06	381.77	2.50	-86.56
CN1C(=O)CSC1=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030503828	1	48	0.0	-90.40	380.87	2.37	-88.03
CC1C(C(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030503830	0	53	0.0	-69.95	387.28	1.72	-68.23
CC1C(C(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030503830	1	53	0.0	-65.68	391.86	1.62	-64.06
CN1CCN(C(=O)CCC2CCCC[N@@H+]2C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503832	0	59	0.0	-70.42	435.90	2.55	-67.87
CN1CCN(C(=O)CCC2CCCC[N@H+]2C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503832	1	59	0.0	-70.61	435.23	2.53	-68.08
CC(=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1C	REAL300030503853	1	55	0.0	-74.90	428.47	6.48	-68.42
CC(=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1C	REAL300030503853	1	55	0.0	-82.68	426.12	6.93	-75.75
C[N@@H+]1CCN(C(=O)C=CC2CCCCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503856	1	55	0.0	-76.12	419.39	5.59	-70.53
C[N@H+]1CCN(C(=O)C=CC2CCCCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503856	1	55	0.0	-84.89	409.15	5.59	-79.30
CC=C(C=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1)CC	REAL300030503864	1	52	0.0	-84.64	404.57	5.39	-79.25
CC=C(C=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1)CC	REAL300030503864	1	52	0.0	-84.52	403.64	5.39	-79.13
C[N@@H+]1CCN(C(=O)C=CC2CCCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503867	1	52	0.0	-76.26	401.19	4.95	-71.31
C[N@H+]1CCN(C(=O)C=CC2CCCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503867	1	52	0.0	-86.13	391.27	4.87	-81.26
C[N@@H+]1CCN(C(=O)C=CC2(C)CCOCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503879	1	56	0.0	-88.33	410.14	3.35	-84.98
C[N@H+]1CCN(C(=O)C=CC2(C)CCOCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503879	1	56	0.0	-78.26	420.48	3.31	-74.95
C[N@@H+]1CCN(C(=O)CC(=O)OC(C)(C)C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503881	1	53	0.0	-88.70	401.35	3.50	-85.20
C[N@H+]1CCN(C(=O)CC(=O)OC(C)(C)C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503881	1	53	0.0	-88.21	408.82	3.98	-84.23
C[N@@H+]1CCN(C(=O)C=CCO)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503883	1	43	0.0	-87.94	336.74	-1.02	-88.96
C[N@H+]1CCN(C(=O)C=CCO)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503883	1	43	0.0	-88.07	344.47	-0.59	-88.66
CN1CCN(C(=O)C2CC[N@@H+]2C(C)(C)C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503899	0	56	0.0	-64.48	396.09	1.12	-63.36
CN1CCN(C(=O)C2CC[N@H+]2C(C)(C)C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503899	1	56	0.0	-68.90	399.23	0.75	-68.15
C[C@@H](C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030503916	0	49	0.0	-64.29	369.46	0.87	-63.42
CCC=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030503919	1	45	0.0	-83.83	354.30	3.52	-80.31
CCC=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030503919	1	45	0.0	-83.44	346.73	3.10	-80.34
C=CCC(C)(C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030503932	0	56	0.0	-57.73	399.48	2.10	-55.63
C[N@@H+]1CCN(C(=O)CC2=CC=C(N)C=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503936	1	50	0.0	-82.55	396.56	2.10	-80.45
C[N@H+]1CCN(C(=O)CC2=CC=C(N)C=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503936	1	50	0.0	-82.09	397.04	2.11	-79.98
CC1=C(C(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)C(=O)OC1(C)C	REAL300030503939	1	52	0.0	-80.46	407.27	4.16	-76.30
CC1=C(C(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)C(=O)OC1(C)C	REAL300030503939	1	52	0.0	-102.15	415.82	3.81	-98.34
CC1=CC=C2C(C(=O)N3CC[N@@H+](C)CC3CNC(=O)C3=CC(=O)[N-]O3)=CNC2=C1	REAL300030503949	1	52	0.0	-97.75	401.82	4.24	-93.51
CC1=CC=C2C(C(=O)N3CC[N@H+](C)CC3CNC(=O)C3=CC(=O)[N-]O3)=CNC2=C1	REAL300030503949	1	52	0.0	-91.75	409.28	4.79	-86.96
CN1CCN(C(=O)CC[NH+]2CCCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503954	0	53	0.0	-74.38	401.68	1.29	-73.09
CN1CCN(C(=O)C[N@H+](C)CCO)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503963	1	50	0.0	-72.83	383.03	-2.96	-75.79
CN1CCN(C(=O)C[N@@H+](C)CCO)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503963	1	50	0.0	-72.57	382.60	-3.00	-75.57
C[N@@H+]1CCN(C(=O)CC2=CC=C(O)C=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503977	1	49	0.0	-86.09	385.52	0.88	-85.21
C[N@H+]1CCN(C(=O)CC2=CC=C(O)C=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503977	1	49	0.0	-85.69	392.98	1.38	-84.31
CN1CCN(C(=O)C2C[N@@H+]3CCN2CCC3)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503995	0	56	0.0	-79.93	401.75	-1.13	-81.06
CN1CCN(C(=O)C2C[N@H+]3CCN2CCC3)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503995	1	56	0.0	-78.27	400.62	-1.22	-79.49
CC(C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300030504012	1	54	0.0	-65.81	404.77	2.21	-63.60
CC(=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300030504017	1	51	0.0	-82.83	387.62	4.73	-78.10
CC(=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300030504017	1	51	0.0	-82.69	380.01	4.29	-78.40
CN1CCN(C(=O)CC2=CC[N@H+](C)CC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504039	0	54	0.0	-69.20	414.04	1.93	-67.27
CN1CCN(C(=O)CC2=CC[N@@H+](C)CC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504039	1	54	0.0	-66.64	414.02	1.93	-64.71
C[N@@H+]1CCN(C(=O)C=CC2=CC=C(F)N=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504041	1	48	0.0	-86.47	390.49	3.89	-82.58
C[N@H+]1CCN(C(=O)C=CC2=CC=C(F)N=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504041	1	48	0.0	-87.11	390.84	3.83	-83.28
CN1C=NC(C=CC(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030504044	1	49	0.0	-83.48	394.27	5.12	-78.36
CN1C=NC(C=CC(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030504044	1	49	0.0	-77.33	396.65	4.64	-72.69
CN1CCN(C(=O)C(O)CC[S+](C)C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504051	0	52	0.0	-79.72	416.03	-1.13	-80.85
C[N@@H+]1CCN(C(=O)C=CC2=CC=CC=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504054	1	49	0.0	-86.85	381.98	5.24	-81.61
C[N@H+]1CCN(C(=O)C=CC2=CC=CC=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504054	1	49	0.0	-86.73	389.71	5.68	-81.05
C[N@@H+]1CCN(C(=O)C=CC=C(Cl)Cl)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504056	1	43	0.0	-87.75	376.40	4.40	-83.35
C[N@H+]1CCN(C(=O)C=CC=C(Cl)Cl)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504056	1	43	0.0	-87.71	376.49	4.41	-83.30
CC=CC=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504066	1	46	0.0	-84.27	368.36	4.20	-80.07
CC=CC=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504066	1	46	0.0	-83.96	368.43	4.21	-79.75
COCC=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504075	1	46	0.0	-86.97	366.72	1.82	-85.15
COCC=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504075	1	46	0.0	-86.79	358.99	1.38	-85.41
CN1CCN(C(=O)C2CN(C)CC[N@H+](C)C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504076	0	58	0.0	-61.79	422.70	0.35	-61.44
CN1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504076	1	58	0.0	-60.12	421.21	0.48	-59.64
CC(C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300030504077	0	57	0.0	-66.29	420.67	-0.43	-66.72
CC(C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1)[N@H+]1CCCC(O)C1	REAL300030504077	1	57	0.0	-65.04	419.71	-0.45	-65.49
CC1=CC=NC=C1C=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504092	1	51	0.0	-78.22	404.94	3.94	-74.28
CC1=CC=NC=C1C=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504092	1	51	0.0	-85.73	394.70	3.97	-81.76
CC(=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1)C1=CN(C)N=C1	REAL300030504098	1	52	0.0	-85.28	404.05	3.79	-81.49
CC(=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1)C1=CN(C)N=C1	REAL300030504098	1	52	0.0	-85.56	404.16	3.87	-81.69
C[N@@H+]1CCN(C(=O)C=C(Cl)Cl)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504102	1	39	0.0	-77.20	343.49	2.62	-74.58
C[N@H+]1CCN(C(=O)C=C(Cl)Cl)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504102	1	39	0.0	-85.67	341.04	3.11	-82.56
CN1CCN(C(=O)CC2(O)CCC[N@H+](C)C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504105	0	57	0.0	-72.16	412.36	-0.24	-72.40
CN1CCN(C(=O)CC2(O)CCC[N@@H+](C)C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504105	1	57	0.0	-66.75	415.41	-0.41	-67.16
CC1C[NH+](CC(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504109	1	50	0.0	-71.98	385.62	0.64	-71.34
CC[N@@H+]1CCCC(C(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504113	0	56	0.0	-55.62	405.86	2.81	-52.81
CC[N@H+]1CCCC(C(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504113	1	56	0.0	-66.90	414.35	2.68	-64.22
CC1CCC(=CC(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504114	1	52	0.0	-74.58	399.02	4.91	-69.67
CC1CCC(=CC(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504114	1	52	0.0	-84.09	395.55	5.44	-78.65
CN1CCN(C(=O)CC2=CC=C[NH+]=C2N)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504119	0	49	0.0	-65.76	388.54	-0.60	-66.36
CN1CCN(C(=O)C2CCC[N@@H+]2C2CC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504128	0	54	0.0	-67.15	409.47	1.92	-65.23
CN1CCN(C(=O)C2CCC[N@H+]2C2CC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504128	1	54	0.0	-66.76	402.89	1.70	-65.06
C[N@@H+]1CCN(C(=O)C=CC2=CC=CC(F)=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504149	1	49	0.0	-83.74	395.61	5.77	-77.97
C[N@H+]1CCN(C(=O)C=CC2=CC=CC(F)=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504149	1	49	0.0	-83.57	395.64	5.79	-77.78
CCCC(C)=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504154	1	51	0.0	-82.47	392.30	5.02	-77.45
CCCC(C)=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504154	1	51	0.0	-83.41	391.97	4.91	-78.50
CN1CCN(C(=O)C=CC[NH+]2CCCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504164	0	54	0.0	-69.09	414.49	3.01	-66.08
CN1C=C(C=CC(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)C=N1	REAL300030504165	1	49	0.0	-86.04	393.20	3.52	-82.52
CN1C=C(C=CC(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)C=N1	REAL300030504165	1	49	0.0	-86.40	393.10	3.45	-82.95
C[N@@H+]1CCN(C(=O)C=CC2CC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504166	1	46	0.0	-85.67	357.87	3.79	-81.88
C[N@H+]1CCN(C(=O)C=CC2CC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504166	1	46	0.0	-83.53	364.85	4.41	-79.12
C[N@@H+]1CCN(C(=O)C=CC2CCCO2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504171	1	50	0.0	-80.22	387.99	3.26	-76.96
C[N@H+]1CCN(C(=O)C=CC2CCCO2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504171	1	50	0.0	-80.75	380.75	2.77	-77.98
CN1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504183	0	57	0.0	-70.25	420.26	3.23	-67.02
CC[N@H+](C)CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504215	0	49	0.0	-71.96	372.64	0.24	-71.72
CN1CCN(C(=O)CC2=CC=CC(N)=C2N)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504232	0	52	0.0	-83.63	398.21	-0.16	-83.79
C[N@@H+]1CCN(C(=O)CC2=CC=CC(N)=C2N)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504232	1	52	0.0	-77.10	407.20	0.78	-76.32
C[N@H+]1CCN(C(=O)CC2=CC=CC(N)=C2N)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504232	1	52	0.0	-77.10	407.20	0.78	-76.32
CCCCOC(=O)C=CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504249	0	54	0.0	-84.92	432.36	5.23	-79.69
CCCCOC(=O)C=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504249	1	54	0.0	-84.62	432.43	5.24	-79.38
CCCCOC(=O)C=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504249	1	54	0.0	-84.62	432.43	5.24	-79.38
CCOC(=O)CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504255	0	47	0.0	-85.43	377.59	3.57	-81.86
CCOC(=O)CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504255	1	47	0.0	-90.37	375.27	2.93	-87.44
CCOC(=O)CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504255	1	47	0.0	-90.37	375.27	2.93	-87.44
CN1CCN(C(=O)CN2CC3C=CC2C3)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504256	0	52	0.0	-67.81	393.69	1.42	-66.39
CN1CCN(C(=O)C[N@@H+]2CC3C=CC2C3)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504256	1	52	0.0	-70.20	393.64	1.51	-68.69
CN1CCN(C(=O)C[N@H+]2CC3C=CC2C3)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504256	1	52	0.0	-70.20	393.64	1.51	-68.69
CN1CCN(C(=O)C2=CC=CNC2=O)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504269	0	45	0.0	-79.59	360.02	0.64	-78.95
C[N@@H+]1CCN(C(=O)C2=CC=CNC2=O)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504269	1	45	0.0	-79.43	354.96	0.76	-78.67
C[N@H+]1CCN(C(=O)C2=CC=CNC2=O)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504269	1	45	0.0	-79.43	354.96	0.76	-78.67
CC(=CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030504277	0	52	0.0	-84.32	409.46	6.38	-77.94
CC(=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030504277	1	52	0.0	-82.41	409.46	6.46	-75.95
CC(=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030504277	1	52	0.0	-82.41	409.46	6.46	-75.95
CC1=CC(C(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)=CC(=O)N1	REAL300030504278	0	48	0.0	-99.44	381.59	1.56	-97.88
CC1=CC(C(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=CC(=O)N1	REAL300030504278	1	48	0.0	-84.99	384.64	1.12	-83.87
CC1=CC(C(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=CC(=O)N1	REAL300030504278	1	48	0.0	-84.99	384.64	1.12	-83.87
CN1CCN(C(=O)C=C2CCC(C)(C)CC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504293	0	58	0.0	-85.34	417.33	5.67	-79.67
C[N@@H+]1CCN(C(=O)C=C2CCC(C)(C)CC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504293	1	58	0.0	-75.26	427.43	5.65	-69.61
C[N@H+]1CCN(C(=O)C=C2CCC(C)(C)CC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504293	1	58	0.0	-75.26	427.43	5.65	-69.61
CN(C)C(=O)C=CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504295	0	49	0.0	-82.62	388.11	2.21	-80.41
CN(C)C(=O)C=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504295	1	49	0.0	-83.05	387.44	2.15	-80.90
CN(C)C(=O)C=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504295	1	49	0.0	-83.05	387.44	2.15	-80.90
CC1=C(C)NC(=O)C(C(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030504309	0	51	0.0	-78.44	387.06	1.43	-77.01
CC1=C(C)NC(=O)C(C(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030504309	1	51	0.0	-82.95	400.15	2.16	-80.79
CC1=C(C)NC(=O)C(C(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030504309	1	51	0.0	-82.95	400.15	2.16	-80.79
CC1=CC=C(C=CC(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030504345	0	49	0.0	-76.17	396.73	4.20	-71.97
CC1=CC=C(C=CC(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030504345	1	49	0.0	-83.99	394.04	4.66	-79.33
CC1=CC=C(C=CC(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030504345	1	49	0.0	-83.99	394.04	4.66	-79.33
CC1=NC=CC=C1C=CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504356	0	51	0.0	-81.43	404.93	3.93	-77.50
CC1=NC=CC=C1C=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504356	1	51	0.0	-90.59	402.26	4.40	-86.19
CC1=NC=CC=C1C=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504356	1	51	0.0	-90.59	402.26	4.40	-86.19
CC1=CC=C(C=CCC(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300030504357	0	55	0.0	-83.13	426.94	5.73	-77.40
CC1=CC=C(C=CCC(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300030504357	1	55	0.0	-82.50	434.41	6.22	-76.28
CC1=CC=C(C=CCC(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300030504357	1	55	0.0	-82.50	434.41	6.22	-76.28
CCC=CC=CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504367	0	49	0.0	-84.34	389.46	4.95	-79.39
CCC=CC=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504367	1	49	0.0	-84.09	389.52	4.97	-79.12
CCC=CC=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504367	1	49	0.0	-84.09	389.52	4.97	-79.12
CC(OCC[NH+](C)C)C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504371	0	56	0.0	-54.26	425.74	1.89	-52.37
CN1CCN(C(=O)CCOCC[NH+](C)C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504380	0	56	0.0	-72.81	431.77	0.44	-72.37
COCCN(C)CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504382	0	53	0.0	-72.32	404.85	-0.59	-72.91
COCC[N@H+](C)CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504382	1	53	0.0	-73.09	404.63	-0.62	-73.71
COCC[N@@H+](C)CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504382	1	53	0.0	-73.09	404.63	-0.62	-73.71
CC(CCC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030504387	0	55	0.0	-77.02	407.96	1.34	-75.68
CC[N@H+](CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030504408	0	53	0.0	-67.87	399.47	1.32	-66.55
CN1CCN(C(=O)C=C(C2CC2)C2CC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504409	0	53	0.0	-84.30	396.41	5.58	-78.72
C[N@@H+]1CCN(C(=O)C=C(C2CC2)C2CC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504409	1	53	0.0	-83.83	404.34	6.11	-77.72
C[N@H+]1CCN(C(=O)C=C(C2CC2)C2CC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504409	1	53	0.0	-83.83	404.34	6.11	-77.72
CC1C[N@@H+]2CCN1C(C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030504418	0	56	0.0	-79.06	403.94	-1.73	-80.79
CC1=CN=CC=C1C=CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504441	0	51	0.0	-80.45	405.08	3.96	-76.49
CC1=CN=CC=C1C=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504441	1	51	0.0	-88.94	394.83	3.98	-84.96
CC1=CN=CC=C1C=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504441	1	51	0.0	-88.94	394.83	3.98	-84.96
CC1=CC=C(C=CC(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)N=C1	REAL300030504443	0	51	0.0	-76.00	411.12	4.31	-71.69
CC1=CC=C(C=CC(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)N=C1	REAL300030504443	1	51	0.0	-83.04	408.67	4.78	-78.26
CC1=CC=C(C=CC(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)N=C1	REAL300030504443	1	51	0.0	-83.04	408.67	4.78	-78.26
CN1CCN(C(=O)C[N@@H+]2CC3CCC2C3)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504449	0	54	0.0	-68.95	398.80	1.47	-67.48
CN1CCN(C(=O)C[N@H+]2CC3CCC2C3)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504449	1	54	0.0	-68.95	398.80	1.47	-67.48
CC1=CC(O)=CC=C1CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504459	0	52	0.0	-84.86	402.50	1.37	-83.49
CC1=CC(O)=CC=C1CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504459	1	52	0.0	-83.04	411.88	2.36	-80.68
CC1=CC(O)=CC=C1CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504459	1	52	0.0	-83.04	411.88	2.36	-80.68
CC(C[NH+](C)C)C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504465	0	52	0.0	-63.02	389.89	1.71	-61.31
CCCC=CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504481	0	48	0.0	-83.84	375.80	4.29	-79.55
CCCC=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504481	1	48	0.0	-83.47	368.23	3.88	-79.59
CCCC=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504481	1	48	0.0	-83.47	368.23	3.88	-79.59
CN1CCN(C(=O)C=CC2=CC=NC=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504492	0	48	0.0	-88.87	377.03	3.49	-85.38
C[N@@H+]1CCN(C(=O)C=CC2=CC=NC=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504492	1	48	0.0	-88.93	377.13	3.48	-85.45
C[N@H+]1CCN(C(=O)C=CC2=CC=NC=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504492	1	48	0.0	-88.93	377.13	3.48	-85.45
CN1CCN(C(=O)C=CC2=CC=CC(O)=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504498	0	50	0.0	-90.16	400.22	2.85	-87.31
C[N@@H+]1CCN(C(=O)C=CC2=CC=CC(O)=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504498	1	50	0.0	-90.30	400.24	2.87	-87.43
C[N@H+]1CCN(C(=O)C=CC2=CC=CC(O)=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504498	1	50	0.0	-90.30	400.24	2.87	-87.43
CCOC=CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504500	0	46	0.0	-80.44	366.23	2.39	-78.05
CCOC=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504500	1	46	0.0	-80.72	366.13	2.33	-78.39
CCOC=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504500	1	46	0.0	-80.72	366.13	2.33	-78.39
CCN1CCC1C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504504	0	50	0.0	-69.68	378.86	0.23	-69.45
CC[N@@H+]1CCC1C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504504	1	50	0.0	-71.69	385.08	0.47	-71.22
CC[N@H+]1CCC1C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504504	1	50	0.0	-71.69	385.08	0.47	-71.22
CC1=NC(C=CC(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)=CS1	REAL300030504505	0	48	0.0	-75.69	400.52	3.09	-72.60
CC1=NC(C=CC(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=CS1	REAL300030504505	1	48	0.0	-82.80	398.06	3.57	-79.23
CC1=NC(C=CC(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=CS1	REAL300030504505	1	48	0.0	-82.80	398.06	3.57	-79.23
CC(=CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CS1	REAL300030504510	0	49	0.0	-75.11	400.75	5.04	-70.07
CC(=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CS1	REAL300030504510	1	49	0.0	-82.52	397.88	5.45	-77.07
CC(=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CS1	REAL300030504510	1	49	0.0	-82.52	397.88	5.45	-77.07
CN1CCN(C(=O)C=CCCC2=CC=CC=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504512	0	55	0.0	-85.21	428.12	6.90	-78.31
C[N@@H+]1CCN(C(=O)C=CCCC2=CC=CC=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504512	1	55	0.0	-85.05	435.86	7.34	-77.71
C[N@H+]1CCN(C(=O)C=CCCC2=CC=CC=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504512	1	55	0.0	-85.05	435.86	7.34	-77.71
CC(C)[N@@H+]1CCCC(C(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504514	0	59	0.0	-56.36	423.12	3.31	-53.05
CC(C)[N@H+]1CCCC(C(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504514	1	59	0.0	-56.36	423.12	3.31	-53.05
CCC(C)(C)[NH2+]C(C)C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504524	0	58	0.0	-62.25	419.09	0.86	-61.39
CN1CCN(C(=O)C=CC2=CC=C(O)C=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504533	0	50	0.0	-88.01	392.96	2.41	-85.60
C[N@@H+]1CCN(C(=O)C=CC2=CC=C(O)C=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504533	1	50	0.0	-88.07	400.69	2.85	-85.22
C[N@H+]1CCN(C(=O)C=CC2=CC=C(O)C=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504533	1	50	0.0	-88.07	400.69	2.85	-85.22
CN1CCN(C(=O)CC2=CC=CC(N)=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504541	0	50	0.0	-82.52	396.97	2.10	-80.42
C[N@@H+]1CCN(C(=O)CC2=CC=CC(N)=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504541	1	50	0.0	-79.07	398.81	2.53	-76.54
C[N@H+]1CCN(C(=O)CC2=CC=CC(N)=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504541	1	50	0.0	-79.07	398.81	2.53	-76.54
C#CCN1CCCCC1C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504561	0	55	0.0	-62.48	419.40	3.24	-59.24
C#CC[N@H+]1CCCCC1C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504561	1	55	0.0	-64.30	419.05	3.28	-61.02
C#CC[N@@H+]1CCCCC1C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504561	1	55	0.0	-64.30	419.05	3.28	-61.02
CNC1=NC(C)=CC=C1C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504562	0	52	0.0	-62.11	405.61	1.14	-60.97
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504562	1	52	0.0	-62.11	405.61	1.14	-60.97
CCCC(C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030504572	0	55	0.0	-69.22	404.02	1.26	-67.96
CN1CCN(C(=O)C=CC2CCOCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504573	0	53	0.0	-87.18	400.10	3.23	-83.95
C[N@@H+]1CCN(C(=O)C=CC2CCOCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504573	1	53	0.0	-87.15	407.84	3.67	-83.48
C[N@H+]1CCN(C(=O)C=CC2CCOCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504573	1	53	0.0	-87.15	407.84	3.67	-83.48
CC1=C(C(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C=CC(=O)N1	REAL300030504578	0	48	0.0	-91.18	377.37	1.21	-89.97
CC1=C(C(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)C=CC(=O)N1	REAL300030504578	1	48	0.0	-90.59	384.51	1.66	-88.93
CC1=C(C(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)C=CC(=O)N1	REAL300030504578	1	48	0.0	-90.59	384.51	1.66	-88.93
CN1CCN(C(=O)C=CC2=NC=CS2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504580	0	45	0.0	-81.25	378.73	2.35	-78.90
C[N@@H+]1CCN(C(=O)C=CC2=NC=CS2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504580	1	45	0.0	-91.44	368.48	2.38	-89.06
C[N@H+]1CCN(C(=O)C=CC2=NC=CS2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504580	1	45	0.0	-91.44	368.48	2.38	-89.06
CC1=C(C=CC(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)SC=N1	REAL300030504584	0	48	0.0	-78.55	396.98	2.98	-75.57
CC1=C(C=CC(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)SC=N1	REAL300030504584	1	48	0.0	-87.14	387.25	2.98	-84.16
CC1=C(C=CC(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)SC=N1	REAL300030504584	1	48	0.0	-87.14	387.25	2.98	-84.16
CN1CCN(C(=O)C=CC2CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504589	0	49	0.0	-76.08	384.27	4.40	-71.68
C[N@@H+]1CCN(C(=O)C=CC2CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504589	1	49	0.0	-84.61	374.06	4.40	-80.21
C[N@H+]1CCN(C(=O)C=CC2CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504589	1	49	0.0	-84.61	374.06	4.40	-80.21
CN1CCN(C(=O)C=CBr)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504591	0	39	0.0	-83.56	333.03	2.62	-80.94
C[N@@H+]1CCN(C(=O)C=CBr)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504591	1	39	0.0	-83.50	333.12	2.62	-80.88
C[N@H+]1CCN(C(=O)C=CBr)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504591	1	39	0.0	-83.50	333.12	2.62	-80.88
CN1CCN(C(=O)C=CC2=CC=CC=C2F)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504592	0	49	0.0	-82.65	397.73	5.23	-77.42
C[N@@H+]1CCN(C(=O)C=CC2=CC=CC=C2F)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504592	1	49	0.0	-94.06	387.48	5.25	-88.81
C[N@H+]1CCN(C(=O)C=CC2=CC=CC=C2F)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504592	1	49	0.0	-94.06	387.48	5.25	-88.81
CC(CC[NH+](C)C)C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504593	0	55	0.0	-63.67	411.34	2.22	-61.45
CN1CCN(C(=O)C=C[C@H]2COC(C)(C)O2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504596	0	54	0.0	-77.60	426.30	2.64	-74.96
C[N@@H+]1CCN(C(=O)C=C[C@H]2COC(C)(C)O2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504596	1	54	0.0	-80.01	426.33	2.65	-77.36
C[N@H+]1CCN(C(=O)C=C[C@H]2COC(C)(C)O2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504596	1	54	0.0	-80.01	426.33	2.65	-77.36
CN1CCN(C(=O)C=CC2=CC=CN=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504598	0	48	0.0	-85.69	384.53	3.92	-81.77
C[N@@H+]1CCN(C(=O)C=CC2=CC=CN=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504598	1	48	0.0	-85.68	384.59	3.92	-81.76
C[N@H+]1CCN(C(=O)C=CC2=CC=CN=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504598	1	48	0.0	-85.68	384.59	3.92	-81.76
CC1=CC=C(C=CC(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300030504602	0	52	0.0	-86.78	403.38	5.91	-80.87
CC1=CC=C(C=CC(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300030504602	1	52	0.0	-86.71	411.11	6.36	-80.35
CC1=CC=C(C=CC(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300030504602	1	52	0.0	-86.71	411.11	6.36	-80.35
CN1CCN(C(=O)C2=CN=CN(C)C2=O)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504612	0	47	0.0	-81.19	383.28	2.33	-78.86
CN1C=NC=C(C(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1=O	REAL300030504612	1	47	0.0	-82.14	363.65	1.89	-80.25
CN1C=NC=C(C(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1=O	REAL300030504612	1	47	0.0	-82.14	363.65	1.89	-80.25
CN1CCN(C(=O)C=CC2=CC=C(C#N)C=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504615	0	50	0.0	-90.16	402.72	5.64	-84.52
C[N@@H+]1CCN(C(=O)C=CC2=CC=C(C#N)C=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504615	1	50	0.0	-90.28	410.45	6.08	-84.20
C[N@H+]1CCN(C(=O)C=CC2=CC=C(C#N)C=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504615	1	50	0.0	-90.28	410.45	6.08	-84.20
CC1=C(C=CC(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C=NN1C	REAL300030504616	0	52	0.0	-85.48	403.74	3.50	-81.98
CC1=C(C=CC(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)C=NN1C	REAL300030504616	1	52	0.0	-78.87	414.88	3.49	-75.38
CC1=C(C=CC(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)C=NN1C	REAL300030504616	1	52	0.0	-78.87	414.88	3.49	-75.38
CN1CCN(C(=O)C=CC2=CC=CC(N)=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504617	0	51	0.0	-87.27	404.28	3.58	-83.69
C[N@@H+]1CCN(C(=O)C=CC2=CC=CC(N)=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504617	1	51	0.0	-86.85	404.31	3.60	-83.25
C[N@H+]1CCN(C(=O)C=CC2=CC=CC(N)=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504617	1	51	0.0	-86.85	404.31	3.60	-83.25
CCN1N=CC=C1C=CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504618	0	52	0.0	-88.86	406.35	3.70	-85.16
CCN1N=CC=C1C=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504618	1	52	0.0	-81.35	416.60	3.70	-77.65
CCN1N=CC=C1C=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504618	1	52	0.0	-81.35	416.60	3.70	-77.65
CC1=COC(C=CC(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300030504619	0	48	0.0	-81.73	392.69	0.60	-81.13
CC1=COC(C=CC(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300030504619	1	48	0.0	-91.11	382.44	0.63	-90.48
CC1=COC(C=CC(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300030504619	1	48	0.0	-91.11	382.44	0.63	-90.48
CC1=CC(C)=CC(C=CC(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030504620	0	55	0.0	-88.22	432.27	6.91	-81.31
CC1=CC(C)=CC(C=CC(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030504620	1	55	0.0	-87.31	432.36	6.97	-80.34
CC1=CC(C)=CC(C=CC(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030504620	1	55	0.0	-87.31	432.36	6.97	-80.34
CN1CCN(C(=O)C=CC(=O)NC2CC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504644	0	50	0.0	-83.12	395.57	1.56	-81.56
C[N@@H+]1CCN(C(=O)C=CC(=O)NC2CC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504644	1	50	0.0	-83.15	395.67	1.56	-81.59
C[N@H+]1CCN(C(=O)C=CC(=O)NC2CC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504644	1	50	0.0	-83.15	395.67	1.56	-81.59
CC1=COC(C)=C1C=CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504652	0	52	0.0	-86.19	407.45	4.82	-81.37
CC1=COC(C)=C1C=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504652	1	52	0.0	-85.71	414.68	5.32	-80.39
CC1=COC(C)=C1C=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504652	1	52	0.0	-85.71	414.68	5.32	-80.39
CN1CCN(C(=O)C2CC(C)(C)C[N@@H+]2C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504678	0	56	0.0	-58.55	417.60	2.54	-56.01
CN1CCN(C(=O)C2CC(C)(C)C[N@H+]2C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504678	1	56	0.0	-58.55	417.60	2.54	-56.01
CN1CCN(C(=O)CCCCC[NH+](C)C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504682	0	58	0.0	-73.98	441.83	2.54	-71.44
CN1CCN(C(=O)CC[NH+]2CCC(O)CC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504686	0	57	0.0	-76.66	429.59	-1.30	-77.96
CCC[N@@H+]1CCCCC1C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504689	0	59	0.0	-62.24	433.17	3.50	-58.74
CCC[N@H+]1CCCCC1C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504689	1	59	0.0	-62.24	433.17	3.50	-58.74
CN1CCN(CC(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030504697	0	55	0.0	-71.35	413.88	-0.94	-72.29
CN1CCN(C(=O)CN2CC[NH+](C)CC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504697	1	55	0.0	-71.35	413.88	-0.94	-72.29
CN1CCN(C(=O)CC2=CC=NNC2=O)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504712	0	47	0.0	-87.49	373.31	-0.72	-88.21
C[N@@H+]1CCN(C(=O)CC2=CC=NNC2=O)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504712	1	47	0.0	-77.36	382.30	0.22	-77.14
C[N@H+]1CCN(C(=O)CC2=CC=NNC2=O)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504712	1	47	0.0	-77.36	382.30	0.22	-77.14
CC1=C(C=CC(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)SC=C1	REAL300030504758	0	49	0.0	-75.88	401.70	4.87	-71.01
CC1=C(C=CC(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)SC=C1	REAL300030504758	1	49	0.0	-83.86	399.24	5.35	-78.51
CC1=C(C=CC(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)SC=C1	REAL300030504758	1	49	0.0	-83.86	399.24	5.35	-78.51
CC1=CC=CC=C1C=CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504759	0	52	0.0	-77.98	409.75	5.72	-72.26
CC1=CC=CC=C1C=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504759	1	52	0.0	-86.93	399.50	5.74	-81.19
CC1=CC=CC=C1C=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504759	1	52	0.0	-86.93	399.50	5.74	-81.19
CN1C=CC=C1C=CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504760	0	50	0.0	-84.29	387.35	4.59	-79.70
CN1C=CC=C1C=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504760	1	50	0.0	-77.15	397.55	4.58	-72.57
CN1C=CC=C1C=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504760	1	50	0.0	-77.15	397.55	4.58	-72.57
CCC1=CC=C(C=CC(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300030504761	0	55	0.0	-86.98	432.43	7.10	-79.88
CCC1=CC=C(C=CC(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300030504761	1	55	0.0	-86.72	424.86	6.68	-80.04
CCC1=CC=C(C=CC(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300030504761	1	55	0.0	-86.72	424.86	6.68	-80.04
CN1CCN(C(=O)C=CC2=CNC=N2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504762	0	46	0.0	-83.09	370.98	3.46	-79.63
C[N@@H+]1CCN(C(=O)C=CC2=CNC=N2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504762	1	46	0.0	-83.36	371.58	3.42	-79.94
C[N@H+]1CCN(C(=O)C=CC2=CNC=N2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504762	1	46	0.0	-83.36	371.58	3.42	-79.94
CC1=CSC(C=CC(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300030504763	0	48	0.0	-81.46	400.49	2.96	-78.50
CC1=CSC(C=CC(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300030504763	1	48	0.0	-91.01	398.04	3.43	-87.58
CC1=CSC(C=CC(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300030504763	1	48	0.0	-91.01	398.04	3.43	-87.58
CN1CCN(C(=O)C=CC2=CN=CS2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504764	0	45	0.0	-78.49	377.52	2.46	-76.03
C[N@@H+]1CCN(C(=O)C=CC2=CN=CS2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504764	1	45	0.0	-87.27	367.26	2.48	-84.79
C[N@H+]1CCN(C(=O)C=CC2=CN=CS2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504764	1	45	0.0	-87.27	367.26	2.48	-84.79
CN1C=C(C=CC(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)N=N1	REAL300030504766	0	48	0.0	-83.36	390.48	2.20	-81.16
CN1C=C(C=CC(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)N=N1	REAL300030504766	1	48	0.0	-82.99	389.89	2.29	-80.70
CN1C=C(C=CC(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)N=N1	REAL300030504766	1	48	0.0	-82.99	389.89	2.29	-80.70
CN1N=CC=C1C=CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504769	0	49	0.0	-89.19	392.24	3.28	-85.91
CN1N=CC=C1C=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504769	1	49	0.0	-81.81	395.16	2.85	-78.96
CN1N=CC=C1C=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504769	1	49	0.0	-81.81	395.16	2.85	-78.96
CN1CCN(C(=O)C=CC2=CNN=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504770	0	46	0.0	-85.84	370.17	2.14	-83.70
C[N@@H+]1CCN(C(=O)C=CC2=CNN=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504770	1	46	0.0	-85.55	370.26	2.21	-83.34
C[N@H+]1CCN(C(=O)C=CC2=CNN=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504770	1	46	0.0	-85.55	370.26	2.21	-83.34
CCC1=CC=C(C=CC(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030504771	0	52	0.0	-83.64	415.52	5.44	-78.20
CCC1=CC=C(C=CC(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030504771	1	52	0.0	-75.36	418.71	4.96	-70.40
CCC1=CC=C(C=CC(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030504771	1	52	0.0	-75.36	418.71	4.96	-70.40
CC1CN(C)CC(C(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030504777	0	54	0.0	-82.49	401.22	1.28	-81.21
CC1C[N@H+](C)CC(C(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030504777	1	54	0.0	-83.12	408.41	1.33	-81.79
CC1C[N@@H+](C)CC(C(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030504777	1	54	0.0	-83.12	408.41	1.33	-81.79
CCC1CCC[N@H+](CC(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504807	0	59	0.0	-72.47	435.72	2.68	-69.79
CCC1CCC[N@@H+](CC(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504807	1	59	0.0	-72.47	435.72	2.68	-69.79
CN1CCN(C(=O)C=CC2=COC=N2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504808	0	45	0.0	-76.42	370.60	-0.01	-76.43
C[N@@H+]1CCN(C(=O)C=CC2=COC=N2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504808	1	45	0.0	-83.20	367.66	0.48	-82.72
C[N@H+]1CCN(C(=O)C=CC2=COC=N2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504808	1	45	0.0	-83.20	367.66	0.48	-82.72
COCCOCC=CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504826	0	53	0.0	-90.51	422.20	2.05	-88.46
COCCOCC=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504826	1	53	0.0	-90.53	414.47	1.61	-88.92
COCCOCC=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504826	1	53	0.0	-90.53	414.47	1.61	-88.92
CN1CCN(C(=O)CC2([NH+]3CCCC3)CC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504840	0	57	0.0	-69.61	419.87	2.37	-67.24
C[N@@H+]1CCN(C(=O)C2=CNC3=CC(N)=CC=C23)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504849	1	51	0.0	-96.57	395.42	1.42	-95.15
C[N@H+]1CCN(C(=O)C2=CNC3=CC(N)=CC=C23)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504849	1	51	0.0	-91.08	402.93	1.99	-89.09
C[N@@H+]1CCN(C(=O)C=CCN2CCOCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504863	1	55	0.0	-78.42	423.42	0.62	-77.80
C[N@H+]1CCN(C(=O)C=CCN2CCOCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504863	1	55	0.0	-86.15	423.01	1.29	-84.86
CN1CCN(C(=O)C2CCCC[N@@H+]2C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504870	0	53	0.0	-60.32	393.95	2.11	-58.21
CN1CCN(C(=O)C2CCCC[N@H+]2C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504870	1	53	0.0	-58.21	390.85	2.09	-56.12
CC1=CC=C(CC(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)C=C1O	REAL300030504894	1	52	0.0	-85.49	405.82	1.62	-83.87
CC1=CC=C(CC(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)C=C1O	REAL300030504894	1	52	0.0	-84.09	414.81	2.58	-81.51
CCN1C=CN=C1C=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504921	1	52	0.0	-82.48	415.26	5.19	-77.29
CCN1C=CN=C1C=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504921	1	52	0.0	-76.42	418.20	4.68	-71.74
CC(Cl)=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504925	1	42	0.0	-87.34	337.37	2.79	-84.55
CC(Cl)=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504925	1	42	0.0	-87.28	337.77	2.80	-84.48
C[N@@H+]1CCN(C(=O)C=CC2=CC=CS2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504926	1	46	0.0	-75.50	382.93	4.25	-71.25
C[N@H+]1CCN(C(=O)C=CC2=CC=CS2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504926	1	46	0.0	-84.45	372.17	4.29	-80.16
CC=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504928	1	42	0.0	-83.28	325.74	2.33	-80.95
CC=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030504928	1	42	0.0	-83.20	325.64	2.34	-80.86
C[N@@H+]1CCN(C(=O)C=CC2=CC=CC=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504930	1	49	0.0	-86.85	381.98	5.24	-81.61
C[N@H+]1CCN(C(=O)C=CC2=CC=CC=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504930	1	49	0.0	-86.73	389.71	5.68	-81.05
C[N@@H+]1CCN(C(=O)C=CC2=CSC=N2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504940	1	45	0.0	-75.23	379.10	2.35	-72.88
C[N@H+]1CCN(C(=O)C=CC2=CSC=N2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504940	1	45	0.0	-82.87	368.36	2.39	-80.48
C[N@@H+]1CCN(C(=O)C=CCF)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504955	1	42	0.0	-86.66	331.82	2.46	-84.20
C[N@H+]1CCN(C(=O)C=CCF)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504955	1	42	0.0	-86.85	339.55	2.89	-83.96
CN1CCN(C(=O)C=C2CC[N@H+](C)C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504961	0	51	0.0	-65.91	390.25	2.14	-63.77
CN1CCN(C(=O)C=C2CC[N@@H+](C)C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504961	1	51	0.0	-66.42	389.95	2.14	-64.28
C[N@@H+]1CCN(C(=O)C=CCN2C=NC=N2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504963	1	48	0.0	-89.83	382.38	4.77	-85.06
C[N@H+]1CCN(C(=O)C=CCN2C=NC=N2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504963	1	48	0.0	-90.73	389.95	5.19	-85.54
C[N@@H+]1CCN(C(=O)C=CC2CCCCCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504964	1	58	0.0	-76.00	431.32	6.00	-70.00
C[N@H+]1CCN(C(=O)C=CC2CCCCCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504964	1	58	0.0	-84.60	428.87	6.46	-78.14
CN1CCN(C(=O)CNC2=CC=[NH+]C=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504966	0	49	0.0	-73.00	390.69	-1.17	-74.17
C[N@@H+]1CCN(C(=O)C=CC2=CC=CC=C2C#N)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504968	1	50	0.0	-87.80	411.04	5.41	-82.39
C[N@H+]1CCN(C(=O)C=CC2=CC=CC=C2C#N)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504968	1	50	0.0	-102.08	400.79	5.44	-96.64
CC(=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CO1	REAL300030504977	1	49	0.0	-75.91	391.74	4.06	-71.85
CC(=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CO1	REAL300030504977	1	49	0.0	-83.47	389.45	4.53	-78.94
CC1=NNC(=O)C(C(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030504982	1	47	0.0	-75.83	364.44	-0.46	-76.29
CC1=NNC(=O)C(C(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030504982	1	47	0.0	-76.57	384.56	-0.05	-76.62
CC[NH+]1CCN(CC(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030505012	0	58	0.0	-70.27	431.62	-0.26	-70.53
CN1CCN(C(=O)C=C2C[NH+]3CCC2CC3)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505013	0	55	0.0	-55.61	408.84	2.92	-52.69
CCCC(=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1)CCC	REAL300030505017	1	57	0.0	-82.98	432.26	6.52	-76.46
CCCC(=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1)CCC	REAL300030505017	1	57	0.0	-74.39	434.04	6.02	-68.37
C[N@@H+]1CCN(C(=O)C=C2CCSCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505019	1	50	0.0	-87.58	383.55	4.41	-83.17
C[N@H+]1CCN(C(=O)C=C2CCSCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505019	1	50	0.0	-78.72	392.97	4.36	-74.36
C[N@@H+]1CCN(C(=O)CC=C(Cl)Cl)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505046	1	42	0.0	-80.36	364.91	2.89	-77.47
C[N@H+]1CCN(C(=O)CC=C(Cl)Cl)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505046	1	42	0.0	-80.21	365.40	2.89	-77.32
CN(C)C(=O)C=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505047	1	49	0.0	-82.62	388.11	2.21	-80.41
CN(C)C(=O)C=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505047	1	49	0.0	-83.05	387.44	2.15	-80.90
CN1CCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505049	0	57	0.0	-69.55	425.64	-1.04	-70.59
CN1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505049	1	57	0.0	-67.88	425.37	-1.25	-69.13
C=CC=CCC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505057	1	46	0.0	-81.06	362.65	2.72	-78.34
C=CC=CCC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505057	1	46	0.0	-80.51	370.12	3.20	-77.31
C[N@@H+]1CCN(C(=O)C=CC2=CN=CC(F)=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505062	1	48	0.0	-87.85	383.27	3.53	-84.32
C[N@H+]1CCN(C(=O)C=CC2=CN=CC(F)=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505062	1	48	0.0	-88.19	390.85	3.96	-84.23
CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505064	0	50	0.0	-70.37	373.15	0.05	-70.32
CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505064	1	50	0.0	-60.02	378.21	1.37	-58.65
C[N@@H+]1CCN(C(=O)C=CC2=NC=CO2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505075	1	45	0.0	-81.32	371.26	-0.03	-81.35
C[N@H+]1CCN(C(=O)C=CC2=NC=CO2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505075	1	45	0.0	-90.25	368.31	0.48	-89.77
CCN1CCOCC1CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505087	0	57	0.0	-65.35	416.71	0.85	-64.50
CC[N@@H+]1CCOCC1CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505087	1	57	0.0	-71.57	421.63	0.98	-70.59
CC[N@H+]1CCOCC1CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505087	1	57	0.0	-71.57	421.63	0.98	-70.59
CC1=CC=CN=C1C=CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505108	0	51	0.0	-76.16	407.23	4.19	-71.97
CC1=CC=CN=C1C=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505108	1	51	0.0	-83.01	404.78	4.67	-78.34
CC1=CC=CN=C1C=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505108	1	51	0.0	-83.01	404.78	4.67	-78.34
CCC(=CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030505128	0	55	0.0	-83.74	424.32	7.13	-76.61
CCC(=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030505128	1	55	0.0	-82.30	424.76	7.09	-75.21
CCC(=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030505128	1	55	0.0	-82.30	424.76	7.09	-75.21
CN1CCN(C(=O)C2=CC=C3NC(N)=NC3=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505154	0	50	0.0	-68.32	396.88	1.39	-66.93
CN1CCN(C(=O)C2=CC=C3NC(N)=[NH+]C3=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505154	1	50	0.0	-68.32	396.88	1.39	-66.93
CN1CCN(C(=O)C=C2CCCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505167	0	49	0.0	-75.51	377.78	4.28	-71.23
C[N@@H+]1CCN(C(=O)C=C2CCCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505167	1	49	0.0	-84.88	374.96	4.69	-80.19
C[N@H+]1CCN(C(=O)C=C2CCCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505167	1	49	0.0	-84.88	374.96	4.69	-80.19
CN1CCN(C(=O)CC(=O)NC2CC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505171	0	49	0.0	-94.27	389.13	1.76	-92.51
C[N@@H+]1CCN(C(=O)CC(=O)NC2CC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505171	1	49	0.0	-93.59	389.65	1.77	-91.82
C[N@H+]1CCN(C(=O)CC(=O)NC2CC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505171	1	49	0.0	-93.59	389.65	1.77	-91.82
CN1CCN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505183	0	53	0.0	-73.06	403.66	1.33	-71.73
CN1CCN(C(=O)C2CCC([NH+](C)C)CC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505196	0	59	0.0	-75.06	430.05	3.16	-71.90
CN1CCN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505198	0	59	0.0	-50.54	422.27	3.03	-47.51
CN1CCN(C(=O)CC2CC=CC[N@@H+]2C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505199	0	54	0.0	-64.83	400.51	1.59	-63.24
CN1CCN(C(=O)CC2CC=CC[N@H+]2C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505199	1	54	0.0	-64.83	400.51	1.59	-63.24
CC1=NN(C)C(CC(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030505202	0	51	0.0	-87.29	405.90	2.78	-84.51
CC1=NN(C)C(CC(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030505202	1	51	0.0	-91.26	396.79	1.84	-89.42
CC1=NN(C)C(CC(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030505202	1	51	0.0	-91.26	396.79	1.84	-89.42
CN1CCN(C(=O)C=CC2=CN=CC=N2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505212	0	47	0.0	-78.13	384.45	1.82	-76.31
C[N@@H+]1CCN(C(=O)C=CC2=CN=CC=N2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505212	1	47	0.0	-85.82	381.78	2.27	-83.55
C[N@H+]1CCN(C(=O)C=CC2=CN=CC=N2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505212	1	47	0.0	-85.82	381.78	2.27	-83.55
CC(=CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL300030505230	0	54	0.0	-83.89	403.57	5.05	-78.84
CC(=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL300030505230	1	54	0.0	-82.85	403.92	5.11	-77.74
CC(=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1)C(C)(C)C	REAL300030505230	1	54	0.0	-82.85	403.92	5.11	-77.74
CN1CCN(C(=O)COCC[NH+](C)C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505252	0	53	0.0	-71.24	410.63	0.52	-70.72
CCCCC[N@H+](C)CCC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505257	0	61	0.0	-76.02	459.56	3.14	-72.88
CCCCC[N@@H+](C)CCC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505257	1	61	0.0	-76.02	459.56	3.14	-72.88
CN1CCN(C(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505267	0	57	0.0	-72.73	429.31	1.19	-71.54
CN1CCN(C(=O)CN2C=CSC2=[NH2+])C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505284	0	46	0.0	-66.50	381.37	-0.27	-66.77
CN1CCN(C(=O)CC2=CC=CC=C2CC#N)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505300	0	52	0.0	-81.73	418.42	5.12	-76.61
C[N@@H+]1CCN(C(=O)CC2=CC=CC=C2CC#N)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505300	1	52	0.0	-79.72	420.25	5.54	-74.18
C[N@H+]1CCN(C(=O)CC2=CC=CC=C2CC#N)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505300	1	52	0.0	-79.72	420.25	5.54	-74.18
CN1CCN(C(=O)CC2=CC=C(O)C(O)=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505313	0	50	0.0	-87.18	396.50	-1.21	-88.39
C[N@@H+]1CCN(C(=O)CC2=CC=C(O)C(O)=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505313	1	50	0.0	-84.72	405.49	-0.25	-84.97
C[N@H+]1CCN(C(=O)CC2=CC=C(O)C(O)=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505313	1	50	0.0	-84.72	405.49	-0.25	-84.97
C[C@@H](OCC[NH+](C)C)C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505341	0	56	0.0	-67.80	425.38	0.96	-66.84
CN1CCN(C(=O)CC[NH+]2CCCCCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505370	0	59	0.0	-75.84	428.97	2.28	-73.56
CN1CCN(C(=O)C[NH+]2CCCCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505374	0	53	0.0	-72.18	396.69	1.44	-70.74
CN1CCN(C(=O)C2CCC[N@H+](C)C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505376	0	53	0.0	-67.82	396.80	2.04	-65.78
CN1CCN(C(=O)C2CCC[N@@H+](C)C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505376	1	53	0.0	-54.80	388.13	2.14	-52.66
CN1CCN(C(=O)C[NH+]2CCC(CO)CC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505377	0	57	0.0	-73.73	428.36	-1.23	-74.96
CN1CCN(C(=O)C[NH+]2CCCCCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505378	0	56	0.0	-72.53	407.51	2.00	-70.53
CN1C=C[N+](CC(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030505383	0	48	0.0	-68.11	385.53	3.06	-65.05
CN1CCN(C(=O)C2=CC=C(C[NH+](C)C)O2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505396	1	53	0.0	-79.70	413.90	2.32	-77.38
CN1CCN(C(=O)C[NH+]2CCC(O)CC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505409	1	54	0.0	-76.44	407.76	-1.88	-78.32
CN1CCN(C(=O)C[N@@H+](C)C2CC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505414	1	50	0.0	-68.71	384.24	0.99	-67.72
CN1C=CC=C1CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505415	0	49	0.0	-85.36	386.60	3.60	-81.76
CN1C=CC=C1CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505415	1	49	0.0	-85.63	388.44	4.06	-81.57
CN1C=CC=C1CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505415	1	49	0.0	-85.36	386.60	3.60	-81.76
CC(C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300030505416	1	58	0.0	-68.53	428.46	0.39	-68.14
CN1CCN(C(=O)CC[N@H+]2CCC(F)C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505418	1	53	0.0	-78.80	408.49	1.41	-77.39
CC1=CC=CC(C=CC(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030505423	0	52	0.0	-86.57	410.63	6.38	-80.19
CC1=CC=CC(C=CC(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030505423	1	52	0.0	-87.02	410.60	6.37	-80.65
CC1=CC=CC(C=CC(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030505423	1	52	0.0	-86.57	410.63	6.38	-80.19
CN1CCN(C(=O)C=CC2=CC=CC(C#N)=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505438	0	50	0.0	-93.55	410.06	6.11	-87.44
C[N@@H+]1CCN(C(=O)C=CC2=CC=CC(C#N)=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505438	1	50	0.0	-94.21	410.04	6.10	-88.11
C[N@H+]1CCN(C(=O)C=CC2=CC=CC(C#N)=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505438	1	50	0.0	-93.55	410.06	6.11	-87.44
CC(CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030505441	0	55	0.0	-74.30	412.16	1.62	-72.68
CC1=CC=C(C=CC(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)S1	REAL300030505442	0	49	0.0	-84.54	401.57	5.53	-79.01
CC1=CC=C(C=CC(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)S1	REAL300030505442	1	49	0.0	-75.95	404.23	5.07	-70.88
CC1=CC=C(C=CC(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)S1	REAL300030505442	1	49	0.0	-84.54	401.57	5.53	-79.01
CN1CCN(C(=O)C2CC[N@@H+]3CCOCC23)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505455	0	55	0.0	-78.11	410.75	-0.26	-78.37
CN1CCN(C(=O)C2CC[N@H+]3CCOCC23)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505455	1	55	0.0	-78.03	411.46	-0.25	-78.28
CC1=[NH+]C=C2C=CC(C(=O)N3CCN(C)CC3CNC(=O)C3=CC(=O)[N-]O3)=CN21	REAL300030505460	0	51	0.0	-66.71	406.77	3.46	-63.25
CN1CCN(C(=O)CC2COCCN2C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505473	0	54	0.0	-66.83	398.06	-0.73	-67.56
CN1CCN(C(=O)CC2COCC[N@@H+]2C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505473	1	54	0.0	-67.55	397.46	-0.72	-68.27
CN1CCN(C(=O)CC2COCC[N@H+]2C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505473	1	54	0.0	-66.83	398.06	-0.73	-67.56
CC[NH+]1CCN(CC(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030505479	0	58	0.0	-70.27	431.62	-0.26	-70.53
C=C(C)CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505507	0	45	0.0	-80.05	355.93	2.41	-77.64
C=C(C)CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505507	1	45	0.0	-80.03	355.72	2.42	-77.61
C=C(C)CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505507	1	45	0.0	-80.05	355.93	2.41	-77.64
CC1=CC(N)=[NH+]C=C1C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505519	1	49	0.0	-69.78	385.61	-0.23	-70.01
CN1CCN(C(=O)CCC2=CC=C(N)[NH+]=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505522	0	52	0.0	-72.25	413.99	0.11	-72.14
CNC(=O)CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505535	0	45	0.0	-94.45	357.55	0.08	-94.37
CNC(=O)CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505535	1	45	0.0	-93.86	358.04	0.08	-93.78
CNC(=O)CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505535	1	45	0.0	-94.45	357.55	0.08	-94.37
CN1CCN(C(=O)C=CC2=CSC=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505544	0	46	0.0	-85.70	379.60	4.62	-81.08
C[N@@H+]1CCN(C(=O)C=CC2=CSC=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505544	1	46	0.0	-85.33	379.71	4.64	-80.69
C[N@H+]1CCN(C(=O)C=CC2=CSC=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505544	1	46	0.0	-85.70	379.60	4.62	-81.08
CN1CCN(C(=O)C=CC2=CC=NC=N2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505545	0	47	0.0	-83.92	381.91	3.92	-80.00
C[N@@H+]1CCN(C(=O)C=CC2=CC=NC=N2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505545	1	47	0.0	-77.20	384.58	3.48	-73.72
C[N@H+]1CCN(C(=O)C=CC2=CC=NC=N2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505545	1	47	0.0	-83.92	381.91	3.92	-80.00
CC(=CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1)C(F)F	REAL300030505546	0	45	0.0	-90.22	361.94	3.73	-86.49
CC(=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1)C(F)F	REAL300030505546	1	45	0.0	-90.03	354.33	3.29	-86.74
CC(=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1)C(F)F	REAL300030505546	1	45	0.0	-90.22	361.94	3.73	-86.49
CCOC(=O)C=CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505551	0	48	0.0	-84.83	389.43	3.67	-81.16
CCOC(=O)C=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505551	1	48	0.0	-84.79	389.51	3.67	-81.12
CCOC(=O)C=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505551	1	48	0.0	-84.83	389.43	3.67	-81.16
CN1CCN(C(=O)C[N@H+]2CCC(C)(O)C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505553	1	54	0.0	-70.31	410.44	-2.05	-72.36
CN1CCN(C(=O)CC2C[NH+](C)C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505583	0	50	0.0	-73.14	386.39	0.48	-72.66
CN1CCN(C(=O)CC2=CC=C3CCNC3=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505586	0	54	0.0	-80.82	423.74	3.86	-76.96
C[N@@H+]1CCN(C(=O)CC2=CC=C3CCNC3=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505586	1	54	0.0	-83.14	421.86	3.41	-79.73
C[N@H+]1CCN(C(=O)CC2=CC=C3CCNC3=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505586	1	54	0.0	-80.82	423.74	3.86	-76.96
CN1CCN(C(=O)C2CC[N@@H+]2C2CCCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505588	0	57	0.0	-70.74	427.55	3.38	-67.36
CN1CCN(C(=O)C2CC[N@H+]2C2CCCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505588	1	57	0.0	-70.93	420.60	2.17	-68.76
C=CCC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505593	0	42	0.0	-79.57	334.87	1.78	-77.79
C=CCC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505593	1	42	0.0	-80.14	327.40	1.29	-78.85
C=CCC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505593	1	42	0.0	-79.57	334.87	1.78	-77.79
CN1CCN(C(=O)C[NH+](C)C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505596	0	46	0.0	-72.47	354.97	-0.43	-72.90
CN1CCN(C(=O)CC[N@H+](C)CCO)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505622	0	53	0.0	-73.90	405.42	-2.38	-76.28
CN1CCN(C(=O)CC[N@@H+](C)CCO)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505622	1	53	0.0	-73.25	405.28	-2.35	-75.60
C[C@@H](C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030505623	0	49	0.0	-64.29	369.46	0.87	-63.42
CN1CCN(C(=O)CC2CCCC[N@@H+]2C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505638	0	56	0.0	-63.07	406.01	1.65	-61.42
CN1CCN(C(=O)CC2CCCC[N@H+]2C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505638	1	56	0.0	-64.38	406.18	1.68	-62.70
CN1CCN(C(=O)C=CC2CCOC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505639	0	50	0.0	-86.63	389.32	2.83	-83.80
C[N@@H+]1CCN(C(=O)C=CC2CCOC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505639	1	50	0.0	-85.54	389.38	2.85	-82.69
C[N@H+]1CCN(C(=O)C=CC2CCOC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505639	1	50	0.0	-86.63	389.32	2.83	-83.80
CC1=C2C=C(C(=O)N3CCN(C)CC3CNC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030505654	1	51	0.0	-72.37	404.87	4.23	-68.14
CC(C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300030505655	0	53	0.0	-62.50	401.25	2.08	-60.42
CC1CCN1CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505658	0	50	0.0	-71.02	386.20	0.65	-70.37
CC1CC[N@@H+]1CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505658	1	50	0.0	-69.61	380.70	0.38	-69.23
CC1CC[N@H+]1CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505658	1	50	0.0	-71.02	386.20	0.65	-70.37
CN1CCN(C(=O)C=CC2=CC=C(F)C=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505660	0	49	0.0	-87.44	396.11	5.75	-81.69
C[N@@H+]1CCN(C(=O)C=CC2=CC=C(F)C=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505660	1	49	0.0	-87.43	388.38	5.30	-82.13
C[N@H+]1CCN(C(=O)C=CC2=CC=C(F)C=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505660	1	49	0.0	-87.44	396.11	5.75	-81.69
CC1=NC=C(C=CC(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)S1	REAL300030505666	0	48	0.0	-87.02	397.00	3.65	-83.37
CC1=NC=C(C=CC(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)S1	REAL300030505666	1	48	0.0	-78.59	399.46	3.17	-75.42
CC1=NC=C(C=CC(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)S1	REAL300030505666	1	48	0.0	-87.02	397.00	3.65	-83.37
CCN1C=CC(C(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030505670	0	51	0.0	-91.29	409.99	3.56	-87.73
CCN1C=CC(C(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030505670	1	51	0.0	-101.90	394.93	3.32	-98.58
CCN1C=CC(C(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030505670	1	51	0.0	-91.29	409.99	3.56	-87.73
CN1CCN(C(=O)C[NH+]2CC(C)(C)C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505680	1	53	0.0	-72.66	405.27	1.15	-71.51
CN1CCN(C(=O)C=CC2=NNC=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505700	0	46	0.0	-84.36	372.10	2.34	-82.02
C[N@@H+]1CCN(C(=O)C=CC2=NNC=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505700	1	46	0.0	-77.37	374.55	1.85	-75.52
C[N@H+]1CCN(C(=O)C=CC2=NNC=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505700	1	46	0.0	-84.36	372.10	2.34	-82.02
CC1=CNC(C=CC(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300030505701	0	49	0.0	-83.19	393.87	3.18	-80.01
CC1=CNC(C=CC(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300030505701	1	49	0.0	-77.08	396.53	2.70	-74.38
CC1=CNC(C=CC(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300030505701	1	49	0.0	-83.19	393.87	3.18	-80.01
CC1=C2C=C(C(=O)N3CCN(C)CC3CNC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030505705	1	51	0.0	-72.37	404.87	4.23	-68.14
CN1CCN(C(=O)CSCC[NH+](C)C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505713	0	53	0.0	-78.78	421.87	1.58	-77.20
CN1CCN(C(=O)C2=COC(=O)C=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505721	0	44	0.0	-92.19	348.90	2.74	-89.45
C[N@@H+]1CCN(C(=O)C2=COC(=O)C=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505721	1	44	0.0	-92.44	349.25	2.72	-89.72
C[N@H+]1CCN(C(=O)C2=COC(=O)C=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505721	1	44	0.0	-92.19	348.90	2.74	-89.45
CN1CCN(C(=O)C[N@H+]2CCCC2CO)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505736	1	54	0.0	-71.52	409.82	-1.86	-73.38
CC[NH+](CC)CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505740	0	52	0.0	-70.28	386.32	0.65	-69.63
CC1CCC(=CC(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030505742	0	55	0.0	-75.56	413.89	5.34	-70.22
CC1CCC(=CC(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030505742	1	55	0.0	-83.17	411.64	5.95	-77.22
CC1CCC(=CC(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030505742	1	55	0.0	-75.56	413.89	5.34	-70.22
CN1CCN(C(=O)C[N@@H+](C)C2CCSC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505750	1	54	0.0	-76.53	413.79	1.78	-74.75
CN1CCN(C(=O)C[NH+]2CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505752	1	47	0.0	-72.08	364.65	0.02	-72.06
CC[NH+](CC)CCC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505788	0	55	0.0	-73.11	412.29	1.52	-71.59
CN1C=CC(C=CC(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030505827	0	50	0.0	-84.68	398.37	5.40	-79.28
CN1C=CC(C=CC(=O)N2CC[N@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030505827	1	50	0.0	-85.05	398.26	5.40	-79.65
CN1C=CC(C=CC(=O)N2CC[N@@H+](C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030505827	1	50	0.0	-84.68	398.37	5.40	-79.28
CN1CCN(C(=O)C2=CC(C[NH+](C)C)=CN2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505838	0	54	0.0	-74.01	416.58	2.07	-71.94
CC(C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300030505851	0	57	0.0	-66.39	415.72	-0.80	-67.19
CN1CCN(C(=O)C2CC3COCC[N@@H+]3C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505856	0	55	0.0	-71.34	410.15	-0.20	-71.54
CN1CCN(C(=O)C2CC3COCC[N@H+]3C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505856	1	55	0.0	-71.11	408.94	-0.24	-71.35
CC(C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030505868	1	50	0.0	-63.12	380.61	1.44	-61.68
CCC(CC(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030505874	0	58	0.0	-74.88	425.87	2.13	-72.75
CN1CCN(C(=O)C=CC2=CC=C(N)[NH+]=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505879	0	50	0.0	-73.75	399.80	0.77	-72.98
C[N@@H+]1CCN(C(=O)CC2=CNC=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505890	1	46	0.0	-81.36	359.44	1.62	-79.74
C[N@H+]1CCN(C(=O)CC2=CNC=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505890	1	46	0.0	-77.28	368.47	2.58	-74.70
C[N@@H+]1CCN(C(=O)CC2=CC=C3NC=CC3=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505892	1	52	0.0	-84.89	413.24	4.27	-80.62
C[N@H+]1CCN(C(=O)CC2=CC=C3NC=CC3=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505892	1	52	0.0	-81.68	415.08	4.72	-76.96
CN1N=CC=C1CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505906	1	48	0.0	-86.74	384.74	2.21	-84.53
CN1N=CC=C1CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505906	1	48	0.0	-89.78	382.13	1.74	-88.04
CCOC(=O)CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505919	1	47	0.0	-85.43	377.59	3.57	-81.86
CCOC(=O)CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505919	1	47	0.0	-90.37	375.27	2.93	-87.44
CN1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505925	0	53	0.0	-62.18	393.91	2.14	-60.04
CN1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505925	1	53	0.0	-64.63	386.05	1.68	-62.95
CC1CN2CC[N@@H+]1CC2C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505937	0	56	0.0	-78.83	403.66	-1.84	-80.67
CC1CN2CC[N@H+]1CC2C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030505937	1	56	0.0	-74.74	401.06	-1.10	-75.84
CN1CCN(C(=O)CC(O)C[NH+](C)C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505957	0	53	0.0	-78.00	407.46	-1.52	-79.52
CN1CCN(C(=O)C2CC3CCC(C2)[NH+]3C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505959	0	57	0.0	-55.42	383.79	2.15	-53.27
C=CCC(C(=O)N1CCN(C)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030505991	0	53	0.0	-67.84	395.98	1.00	-66.84
C[N@@H+]1CCN(C(=O)C=C2CCCCC2(C)C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505994	1	58	0.0	-75.53	425.66	5.59	-69.94
C[N@H+]1CCN(C(=O)C=C2CCCCC2(C)C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505994	1	58	0.0	-85.11	415.43	5.72	-79.39
CN1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505998	0	57	0.0	-69.26	418.28	2.18	-67.08
CN1CCN(C(=O)C2CC3CCCC[N@H+]3C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505998	1	57	0.0	-71.13	418.79	2.08	-69.05
CN1CCN(C(=O)CC2(O)CC[NH+](C)CC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030506007	0	57	0.0	-73.35	425.32	-0.30	-73.65
CC1=C2C=C(C(=O)NCC3CN(C)CCN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030506079	1	51	0.0	-63.19	402.54	4.52	-58.67
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CSCC[NH+](C)C)C1	REAL300030506088	0	53	0.0	-69.25	417.08	2.13	-67.12
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300030506096	0	55	0.0	-57.08	407.78	0.56	-56.52
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2CC3COCC[N@H+]3C2)C1	REAL300030506096	1	55	0.0	-55.47	408.74	0.76	-54.71
C[N@@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030506259	0	52	0.0	-74.01	382.48	3.68	-70.33
C[N@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030506259	1	52	0.0	-74.15	382.50	3.70	-70.45
C[N@@H+]1CCOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)C1	REAL300030506283	1	53	0.0	-78.39	404.38	3.30	-75.09
C[N@H+]1CCOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)C1	REAL300030506283	1	53	0.0	-64.14	397.12	3.13	-61.01
CC(C)[N@@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030506439	0	58	0.0	-65.25	415.36	4.98	-60.27
CC(C)[N@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030506439	1	58	0.0	-70.05	419.20	5.10	-64.95
CC1=[NH+]C=CN1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030506472	1	50	0.0	-65.12	396.28	4.50	-60.62
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)C1C[NH+]2CCC1CC2	REAL300030506500	0	56	0.0	-72.91	403.60	4.93	-67.98
C[C@@H]1[C@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)CC[N@@H+]1C	REAL300030506534	0	55	0.0	-73.43	397.07	4.08	-69.35
C[C@@H]1[C@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)CC[N@H+]1C	REAL300030506534	1	55	0.0	-68.04	408.59	4.35	-63.69
CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)CC[N@@H+]1C	REAL300030506536	0	58	0.0	-73.95	423.93	4.60	-69.35
CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)CC[N@H+]1C	REAL300030506536	1	58	0.0	-68.13	422.97	5.42	-62.71
CC[N@@H+]1CCOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)C1	REAL300030506543	1	56	0.0	-67.36	410.45	4.07	-63.29
CC[N@H+]1CCOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)C1	REAL300030506543	1	56	0.0	-75.61	422.19	3.96	-71.65
CC[NH+](CC)CC(F)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030506571	0	57	0.0	-77.52	419.49	4.79	-72.73
CC1CCC(C)[NH+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030506607	0	58	0.0	-66.21	423.67	4.76	-61.45
O=C(CCC[NH+]1CCCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030506610	0	58	0.0	-70.58	436.71	5.41	-65.17
O=C(CC[NH+]1CCCCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030506613	0	58	0.0	-70.82	430.87	5.31	-65.51
CC[N@@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030506616	0	58	0.0	-67.92	426.91	5.12	-62.80
CC[N@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030506616	1	58	0.0	-67.07	412.82	5.22	-61.85
C[NH+](C)C1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)CCC1	REAL300030506627	0	55	0.0	-78.02	399.60	4.39	-73.63
CC(C)[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)[NH+](C)C	REAL300030506634	0	57	0.0	-72.14	415.40	5.06	-67.08
C[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)C1CCC1	REAL300030506659	0	55	0.0	-69.16	408.50	5.18	-63.98
C[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)C1CCC1	REAL300030506659	1	55	0.0	-70.38	408.64	5.17	-65.21
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030506735	1	54	0.0	-69.93	413.52	4.67	-65.26
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030506735	1	54	0.0	-69.41	418.32	5.13	-64.28
C[N@@H+]1CCCC1CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030506740	0	58	0.0	-76.66	429.74	5.68	-70.98
C[N@H+]1CCCC1CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030506740	1	58	0.0	-70.52	429.01	4.90	-65.62
C[NH+]1CCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)CC1	REAL300030506760	0	55	0.0	-77.95	406.99	4.86	-73.09
C[N@@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030506799	0	55	0.0	-69.08	408.76	4.47	-64.61
C[N@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030506799	1	55	0.0	-70.97	404.55	4.72	-66.25
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)C1=CN2C=[NH+]C=C2C=C1	REAL300030506869	0	50	0.0	-71.00	397.16	6.39	-64.61
O=C(CC[NH+]1CCOCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030506876	1	56	0.0	-73.72	422.13	2.88	-70.84
CC1=C[NH+]=CN1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030506889	1	50	0.0	-70.90	395.58	5.19	-65.71
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)C12CCC[NH+]1CCC2	REAL300030506910	0	56	0.0	-76.66	406.98	5.10	-71.56
C[N@@H+]1CCC(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)C1	REAL300030506921	0	55	0.0	-73.10	408.76	4.78	-68.32
C[N@H+]1CCC(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)C1	REAL300030506921	1	55	0.0	-74.53	413.35	4.46	-70.07
CN(C)C1=CC=[NH+]C=C1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030506927	0	54	0.0	-79.94	413.44	3.97	-75.97
CCC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)[NH+](C)C	REAL300030506929	0	54	0.0	-70.83	400.50	4.04	-66.79
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)C1=CC2=C[NH+]=CN2C=C1	REAL300030506956	1	50	0.0	-75.53	397.43	6.40	-69.13
C[NH+](C)CCCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030506988	0	57	0.0	-74.14	427.73	5.32	-68.82
CC(C)C(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)[NH+](C)C	REAL300030507002	0	57	0.0	-72.90	411.42	5.40	-67.50
CCC[N@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507003	0	57	0.0	-73.96	424.00	5.15	-68.81
CCC[N@@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507003	1	57	0.0	-73.86	423.97	5.16	-68.70
CCC[N@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507007	0	54	0.0	-71.84	401.63	4.61	-67.23
CCC[N@@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507007	1	54	0.0	-70.18	406.10	4.29	-65.89
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)C12CC[N@H+](C1)CCC2	REAL300030507022	0	56	0.0	-81.77	404.30	4.37	-77.40
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)C12CC[N@@H+](C1)CCC2	REAL300030507022	1	56	0.0	-72.16	403.96	4.38	-67.78
C[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507048	0	52	0.0	-67.58	382.50	3.75	-63.83
C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507048	1	52	0.0	-69.50	388.81	4.19	-65.31
CC[NH+](CC)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507083	0	54	0.0	-69.86	393.95	4.28	-65.58
CC1CC[NH+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)CC1	REAL300030507144	0	58	0.0	-72.39	424.97	5.69	-66.70
C[NH+](C)CC1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)CC1	REAL300030507166	0	55	0.0	-75.60	419.63	4.64	-70.96
C[NH+]1CCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)CC1	REAL300030507219	0	55	0.0	-77.95	406.99	4.86	-73.09
CC(C)[C@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)[NH+](C)C	REAL300030507235	0	57	0.0	-66.55	411.87	5.22	-61.33
CCC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)[NH+](CC)CC	REAL300030507263	0	60	0.0	-63.08	432.02	5.25	-57.83
CC[N@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507304	0	54	0.0	-73.27	402.47	4.41	-68.86
CC[N@@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507304	1	54	0.0	-73.11	402.46	4.41	-68.70
CC1CCC[N@@H+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507334	0	55	0.0	-69.62	407.66	4.94	-64.68
CC1CCC[N@H+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507334	1	55	0.0	-66.41	405.71	4.26	-62.15
CC1CC[N@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)C1	REAL300030507336	0	55	0.0	-69.51	413.08	4.60	-64.91
CC1CC[N@@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)C1	REAL300030507336	1	55	0.0	-70.96	407.97	4.90	-66.06
CC1(C)CC[N@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)C1	REAL300030507340	0	58	0.0	-71.18	427.72	5.43	-65.75
CC1(C)CC[N@@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)C1	REAL300030507340	1	58	0.0	-71.39	427.99	5.41	-65.98
C[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)CC(C)(C)C	REAL300030507341	0	60	0.0	-69.13	437.01	5.46	-63.67
C[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)CC(C)(C)C	REAL300030507341	1	60	0.0	-72.07	432.13	5.74	-66.33
CC[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)[NH+](C)C	REAL300030507349	0	54	0.0	-68.55	397.27	3.90	-64.65
C[NH+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507453	0	48	0.0	-72.21	362.36	3.18	-69.03
O=C(C[NH+]1CCCCCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507457	0	58	0.0	-70.08	420.11	5.28	-64.80
CN1C=C[N+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)=C1	REAL300030507460	0	50	0.0	-66.02	398.07	6.38	-59.64
C[N@@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)C1	REAL300030507465	0	55	0.0	-73.29	407.33	4.76	-68.53
C[N@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)C1	REAL300030507465	1	55	0.0	-63.66	400.66	5.00	-58.66
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)C1CCC[N@@H+]1C1CC1	REAL300030507470	0	56	0.0	-70.99	412.23	5.12	-65.87
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)C1CCC[N@H+]1C1CC1	REAL300030507470	1	56	0.0	-65.35	416.17	4.68	-60.67
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)[NH+]1CCC1	REAL300030507486	1	52	0.0	-66.77	394.98	3.94	-62.83
CCC(CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)C[NH+](C)C	REAL300030507490	0	60	0.0	-79.86	438.10	5.81	-74.05
C[NH+](C)CC(C)(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507495	0	57	0.0	-71.69	412.20	4.89	-66.80
O=C(C[NH+]1CCC(O)CC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507510	1	56	0.0	-76.30	415.21	1.72	-74.58
C[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)C1CC1	REAL300030507511	0	52	0.0	-68.61	391.63	4.60	-64.01
C[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)C1CC1	REAL300030507511	1	52	0.0	-67.94	396.28	4.29	-63.65
C[NH+]1CC(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)C1	REAL300030507527	0	52	0.0	-72.55	398.19	3.71	-68.84
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507538	0	58	0.0	-69.44	423.65	4.90	-64.54
CC(C)(C)[N@H+]1CCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507538	1	58	0.0	-69.50	424.41	4.94	-64.56
C[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)[NH+](C)C	REAL300030507549	0	51	0.0	-70.14	385.17	3.29	-66.85
[NH2+]=C1SC=CN1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507608	0	48	0.0	-63.73	393.95	3.06	-60.67
C[N@H+](CCO)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507615	0	55	0.0	-72.14	412.82	1.19	-70.95
C[N@@H+](CCO)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507615	1	55	0.0	-72.99	412.83	1.18	-71.81
C[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)[NH+](C)C	REAL300030507616	0	51	0.0	-70.14	385.17	3.29	-66.85
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507620	0	55	0.0	-68.13	395.04	4.61	-63.52
C[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507620	1	55	0.0	-63.73	408.93	4.48	-59.25
C[N@@H+]1CCC(=CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)C1	REAL300030507689	0	53	0.0	-75.18	401.28	4.71	-70.47
C[N@H+]1CCC(=CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)C1	REAL300030507689	1	53	0.0	-73.00	405.82	4.41	-68.59
C[NH+](C)CCOCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507712	0	55	0.0	-72.58	418.23	4.25	-68.33
C=CCC(C)(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)[NH+](C)C	REAL300030507726	0	58	0.0	-71.85	421.60	5.12	-66.73
C[S+](C)CCC(O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507730	0	54	0.0	-69.92	431.72	2.54	-67.38
C[N@@H+]1CC(O)CC1(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507749	0	56	0.0	-72.61	413.31	1.06	-71.55
CC1CN(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)C1	REAL300030507768	0	52	0.0	-71.77	393.93	4.30	-67.47
CC1C[NH+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)C1	REAL300030507768	1	52	0.0	-71.77	393.93	4.30	-67.47
CN(CCO)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507786	0	52	0.0	-71.63	394.96	0.30	-71.33
C[N@H+](CCO)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507786	1	52	0.0	-71.45	390.26	0.63	-70.82
C[N@@H+](CCO)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507786	1	52	0.0	-71.45	390.26	0.63	-70.82
CC[N@@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)C1	REAL300030507806	0	58	0.0	-69.46	428.94	5.18	-64.28
CC[N@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)C1	REAL300030507806	1	58	0.0	-69.46	428.94	5.18	-64.28
CC(CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)C[NH+](C)C	REAL300030507808	0	57	0.0	-78.92	419.50	5.16	-73.76
CC[N@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507813	0	51	0.0	-69.78	384.61	3.56	-66.22
CC[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)C1CC1	REAL300030507846	0	55	0.0	-67.35	412.92	4.89	-62.46
CC[NH+](CC)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507856	0	57	0.0	-70.33	424.82	4.81	-65.52
C[NH+]1CCC(=CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)CC1	REAL300030507866	0	56	0.0	-72.60	420.33	5.15	-67.45
CC1(O)CC[N@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)C1	REAL300030507892	0	56	0.0	-69.45	423.36	1.27	-68.18
CC1(O)CC[N@@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)C1	REAL300030507892	1	56	0.0	-73.27	418.84	1.62	-71.65
C[NH+](C)CC=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507896	0	52	0.0	-75.22	402.83	4.10	-71.12
CC(OCC[NH+](C)C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507905	0	58	0.0	-72.00	438.02	4.93	-67.07
C[NH+](C)CCOCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507911	0	58	0.0	-72.00	443.69	3.68	-68.32
COCC[N@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507912	1	55	0.0	-71.00	412.52	3.03	-67.97
COCC[N@@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507912	1	55	0.0	-71.83	417.21	2.72	-69.11
C[NH+](C)C1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)CCCC1	REAL300030507932	0	58	0.0	-73.47	418.58	5.03	-68.44
CC(CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)[NH+](C)C	REAL300030507934	0	57	0.0	-72.19	420.51	4.59	-67.60
CC[N@@H+]1CCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507940	1	52	0.0	-68.41	391.70	3.60	-64.81
CC[N@H+]1CCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507940	1	52	0.0	-70.90	387.13	3.78	-67.12
O=C(C[N@H+]1CCCC1CO)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507953	0	56	0.0	-71.05	412.12	1.24	-69.81
O=C(C[N@@H+]1CCCC1CO)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507953	1	56	0.0	-69.14	416.64	0.94	-68.20
C[NH+]1CCC(C)(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)CC1	REAL300030507975	0	58	0.0	-74.58	424.23	4.96	-69.62
C=CCC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)[NH+](C)C	REAL300030507994	0	55	0.0	-73.09	408.98	4.85	-68.24
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030508001	0	58	0.0	-65.23	432.63	5.02	-60.21
C[N@H+]1CC(C)(C)CC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030508001	1	58	0.0	-66.53	423.18	4.76	-61.77
C[NH+](C)CCCCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030508003	0	60	0.0	-73.44	449.23	6.11	-67.33
O=C(C[NH+]1CC2CC2C1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030508008	0	53	0.0	-70.19	402.34	4.76	-65.43
CCCC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)[NH+](C)C	REAL300030508024	0	57	0.0	-72.27	422.00	4.82	-67.45
C[NH+](C)C(C)(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030508027	0	54	0.0	-69.97	394.34	4.05	-65.92
C[N@@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030508053	0	55	0.0	-69.08	408.76	4.47	-64.61
C[N@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030508053	1	55	0.0	-70.97	404.55	4.72	-66.25
C[N@H+]1CC=C(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)CC1	REAL300030508077	0	56	0.0	-70.02	421.79	5.46	-64.56
C[N@@H+]1CC=C(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)CC1	REAL300030508077	1	56	0.0	-67.41	426.22	5.18	-62.23
O=C(C=CC[NH+]1CCCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030508117	0	56	0.0	-73.86	429.18	5.31	-68.55
C[NH+](C)C1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)CC1	REAL300030508148	0	52	0.0	-70.68	391.03	4.51	-66.17
O=C(CC[NH+]1CCCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030508150	0	55	0.0	-71.12	413.61	4.50	-66.62
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)C1C[NH+]2CCN1CC2	REAL300030508174	0	55	0.0	-73.95	398.76	1.60	-72.35
C[N@@H+]1CC2CC1(C(=O)NC1CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC13)C2	REAL300030508179	0	53	0.0	-69.73	397.82	4.04	-65.69
C[N@H+]1CC2CC1(C(=O)NC1CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC13)C2	REAL300030508179	1	53	0.0	-73.37	399.11	4.03	-69.34
O=C(C[N@@H+]1CC2CCC1C2)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030508186	0	56	0.0	-70.06	406.24	5.04	-65.02
O=C(C[N@H+]1CC2CCC1C2)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030508186	1	56	0.0	-68.00	411.40	4.79	-63.21
O=C(C[N@@H+]1CC2C=CC1C2)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030508226	1	54	0.0	-67.26	401.37	5.08	-62.18
O=C(C[N@H+]1CC2C=CC1C2)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030508226	1	54	0.0	-68.10	406.32	4.87	-63.23
CC(C[NH+](C)C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030508258	0	54	0.0	-71.81	405.34	4.16	-67.65
C[N@@H+]1CCCCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030508308	0	58	0.0	-67.77	414.12	5.22	-62.55
C[N@H+]1CCCCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030508308	1	58	0.0	-73.56	426.23	5.08	-68.48
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)[NH+]1CC(C)C1	REAL300030508318	1	55	0.0	-67.91	414.12	4.78	-63.13
CC1CC[N@@H+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030508320	1	52	0.0	-69.26	388.18	4.00	-65.26
CC1CC[N@H+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030508320	1	52	0.0	-69.52	398.41	3.95	-65.57
C[NH+](C)CC(O)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030508323	0	55	0.0	-76.30	414.98	2.21	-74.09
CC1C[N@H+](C)CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)O1	REAL300030508343	1	56	0.0	-88.14	413.72	3.91	-84.23
CC1C[N@@H+](C)CC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)O1	REAL300030508343	1	56	0.0	-67.25	413.83	4.19	-63.06
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)C1	REAL300030508390	0	55	0.0	-66.72	416.35	4.63	-62.09
CC(CC[NH+](C)C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030508396	0	57	0.0	-72.04	426.92	4.78	-67.26
C[NH+]1CCN(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)CC1	REAL300030508415	1	57	0.0	-71.92	426.08	2.38	-69.54
NC(=[NH2+])SCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030508439	0	46	0.0	-74.05	370.89	0.05	-74.00
C[NH+](C)CCC1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)CC1	REAL300030508468	0	58	0.0	-78.96	442.20	5.37	-73.59
C[N@@H+]1CC=CCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030508469	0	56	0.0	-72.29	418.09	4.93	-67.36
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CCC1CN(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)C1	REAL300030508568	0	55	0.0	-71.19	419.66	4.69	-66.50
CCC1C[NH+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)C1	REAL300030508568	1	55	0.0	-71.19	419.66	4.69	-66.50
C[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030508573	0	52	0.0	-67.70	382.38	3.75	-63.95
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CC1C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)CC[N@@H+]1C	REAL300030508598	0	55	0.0	-68.09	408.05	4.72	-63.37
CC1C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)CC[N@H+]1C	REAL300030508598	1	55	0.0	-68.09	408.05	4.72	-63.37
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C[N@@H+]1CCOCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030508627	1	56	0.0	-62.30	410.11	2.55	-59.75
C[N@H+]1CCOCC1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030508627	1	56	0.0	-62.30	410.11	2.55	-59.75
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C[N@@H+]1CCC(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)C1	REAL300030509017	0	55	0.0	-65.03	416.10	4.63	-60.40
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C[NH+](C)CCCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030509059	0	57	0.0	-64.92	435.28	5.16	-59.76
CCC[N@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030509074	0	57	0.0	-66.01	427.10	5.32	-60.69
CCC[N@@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030509074	1	57	0.0	-65.77	427.10	5.32	-60.45
CCC[N@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030509077	0	54	0.0	-63.01	404.50	4.70	-58.31
CCC[N@@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030509077	1	54	0.0	-62.88	404.50	4.70	-58.18
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C[NH+](C)CC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)CC1	REAL300030509150	0	55	0.0	-61.06	411.00	4.74	-56.32
CC[N@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030509166	0	54	0.0	-65.37	405.60	4.57	-60.80
CC[N@@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030509166	1	54	0.0	-65.02	405.37	4.53	-60.49
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C[NH+]1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)CC1	REAL300030509223	0	55	0.0	-65.77	409.48	4.84	-60.93
CC[NH+](CC)CC(F)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030509285	0	57	0.0	-65.64	422.40	4.97	-60.67
CCC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21)[NH+](CC)CC	REAL300030509318	0	60	0.0	-58.90	427.52	5.43	-53.47
CC1CCC[N@@H+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030509328	0	55	0.0	-60.38	404.16	4.71	-55.67
CC1CCC[N@H+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030509328	1	55	0.0	-59.03	414.00	4.76	-54.27
CC(C)[N@@H+]1CCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030509370	0	58	0.0	-56.78	425.06	4.92	-51.86
CC(C)[N@H+]1CCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030509370	1	58	0.0	-58.80	419.55	5.26	-53.54
CC1CC[N@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)C1	REAL300030509390	0	55	0.0	-61.49	411.52	4.94	-56.55
CC1CC[N@@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)C1	REAL300030509390	1	55	0.0	-61.98	410.60	4.97	-57.01
CC1(C)CC[N@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)C1	REAL300030509393	0	58	0.0	-62.33	430.17	5.58	-56.75
CC1(C)CC[N@@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)C1	REAL300030509393	1	58	0.0	-60.07	435.31	5.26	-54.81
C[N@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21)CC(C)(C)C	REAL300030509394	0	60	0.0	-62.26	433.17	5.69	-56.57
C[N@@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21)CC(C)(C)C	REAL300030509394	1	60	0.0	-62.11	435.35	5.86	-56.25
CC[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21)[NH+](C)C	REAL300030509401	0	54	0.0	-63.99	393.63	4.35	-59.64
CC1=[NH+]C=CN1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030509512	1	50	0.0	-58.98	399.17	4.63	-54.35
CC[N@@H+]1CCOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)C1	REAL300030509568	1	56	0.0	-66.16	419.59	3.85	-62.31
CC[N@H+]1CCOC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)C1	REAL300030509568	1	56	0.0	-58.35	408.63	4.01	-54.34
O=C(NC1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C2CCCCC12)C1=CC(=O)[N-]O1	REAL300030509592	0	50	0.0	-70.20	399.27	6.67	-63.53
CC1=C[NH+]=CN1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030509595	1	50	0.0	-61.97	394.98	5.65	-56.32
C[C@@H]1[C@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)CC[N@@H+]1C	REAL300030509601	0	55	0.0	-63.32	406.27	4.27	-59.05
C[C@@H]1[C@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)CC[N@H+]1C	REAL300030509601	1	55	0.0	-62.67	410.09	4.56	-58.11
CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)CC[N@@H+]1C	REAL300030509603	0	58	0.0	-63.06	422.50	4.50	-58.56
CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)CC[N@H+]1C	REAL300030509603	1	58	0.0	-63.13	427.22	5.46	-57.67
CC1CCC(C)[NH+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030509609	0	58	0.0	-58.82	422.21	5.16	-53.66
O=C(CCC[NH+]1CCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030509612	0	58	0.0	-64.71	434.36	5.78	-58.93
O=C(CC[NH+]1CCCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030509615	0	58	0.0	-64.12	429.27	5.73	-58.39
C[N@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21)C1CCC1	REAL300030509697	0	55	0.0	-61.73	411.37	5.30	-56.43
C[N@@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21)C1CCC1	REAL300030509697	1	55	0.0	-60.77	411.39	5.26	-55.51
C[NH+]1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)CC1	REAL300030509726	0	55	0.0	-65.77	409.48	4.84	-60.93
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030509750	0	52	0.0	-59.88	383.74	3.80	-56.08
C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030509750	1	52	0.0	-61.15	385.75	4.10	-57.05
C[N@@H+]1CCCC1CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030509769	0	58	0.0	-62.90	437.21	5.51	-57.39
C[N@H+]1CCCC1CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030509769	1	58	0.0	-65.12	427.14	5.35	-59.77
CC1C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)CC[N@@H+]1C	REAL300030509877	0	55	0.0	-61.25	411.10	4.34	-56.91
CC1C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)CC[N@H+]1C	REAL300030509877	1	55	0.0	-62.49	405.67	4.88	-57.61
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030509921	0	58	0.0	-59.31	426.52	5.02	-54.29
CC(C)(C)[N@H+]1CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030509921	1	58	0.0	-58.12	431.57	4.76	-53.36
C[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21)[NH+](C)C	REAL300030509935	0	51	0.0	-60.56	380.54	3.62	-56.94
C=CCC(C)(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21)[NH+](C)C	REAL300030509949	0	58	0.0	-57.56	405.84	4.96	-52.60
O=C(CC[NH+]1CCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030509966	0	55	0.0	-64.84	412.00	4.93	-59.91
C[N@H+](CCO)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030509975	1	52	0.0	-62.81	393.35	0.71	-62.10
C[N@@H+](CCO)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030509975	1	52	0.0	-63.56	393.13	0.70	-62.86
C[N@H+]1CC=C(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)CC1	REAL300030510026	0	56	0.0	-64.68	428.82	5.38	-59.30
C[N@@H+]1CC=C(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)CC1	REAL300030510026	1	56	0.0	-63.29	428.93	5.36	-57.93
C[S+](C)CCC(O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510034	0	54	0.0	-61.85	425.41	2.65	-59.20
CC1C[NH+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)C1	REAL300030510074	1	52	0.0	-61.96	399.68	4.18	-57.78
CC[N@@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)C1	REAL300030510078	0	58	0.0	-60.85	421.39	5.09	-55.76
CC[N@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)C1	REAL300030510078	1	58	0.0	-66.21	418.93	5.53	-60.68
NC1=[NH+]C=CC=C1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510082	0	51	0.0	-62.55	399.46	3.13	-59.42
O=C(NC1CN(C(=O)C2CCC[N@@H+]2C2CC2)C2CCCCC12)C1=CC(=O)[N-]O1	REAL300030510088	0	56	0.0	-58.79	418.97	5.63	-53.16
O=C(NC1CN(C(=O)C2CCC[N@H+]2C2CC2)C2CCCCC12)C1=CC(=O)[N-]O1	REAL300030510088	1	56	0.0	-56.65	419.97	5.23	-51.42
O=C(C=CC[NH+]1CCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510114	0	56	0.0	-64.71	431.46	5.41	-59.30
CC[N@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510149	0	51	0.0	-62.62	383.00	3.95	-58.67
O=C(CN1CC2C=CC1C2)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510179	0	54	0.0	-58.70	408.86	4.95	-53.75
O=C(C[N@@H+]1CC2C=CC1C2)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510179	1	54	0.0	-58.98	408.73	4.91	-54.07
O=C(C[N@H+]1CC2C=CC1C2)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510179	1	54	0.0	-58.98	408.73	4.91	-54.07
CC(OCC[NH+](C)C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510256	0	58	0.0	-65.77	436.06	4.81	-60.96
C[NH+](C)CCOCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510263	0	58	0.0	-62.58	446.74	3.82	-58.76
COCCN(C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510265	0	55	0.0	-63.61	415.38	3.10	-60.51
COCC[N@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510265	1	55	0.0	-62.80	415.60	3.12	-59.68
COCC[N@@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510265	1	55	0.0	-62.80	415.60	3.12	-59.68
CC(CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21)[NH+](C)C	REAL300030510268	0	57	0.0	-62.94	427.27	4.77	-58.17
CC[N@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21)C1CC1	REAL300030510283	0	55	0.0	-58.33	415.97	5.03	-53.30
O=C(C[N@@H+]1CC2CCC1C2)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510313	0	56	0.0	-59.36	414.00	4.92	-54.44
O=C(C[N@H+]1CC2CCC1C2)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510313	1	56	0.0	-59.36	414.00	4.92	-54.44
CC(C[NH+](C)C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510327	0	54	0.0	-64.43	404.55	4.44	-59.99
CCN1CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510357	0	52	0.0	-60.32	385.52	3.85	-56.47
CC[N@@H+]1CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510357	1	52	0.0	-59.81	388.62	3.89	-55.92
CC[N@H+]1CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510357	1	52	0.0	-59.81	388.62	3.89	-55.92
CCC(C)(C)[NH2+]C(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510366	0	60	0.0	-59.69	430.18	3.74	-55.95
CNC1=NC(C)=CC=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510391	0	54	0.0	-55.19	418.46	3.66	-51.53
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510391	1	54	0.0	-55.19	418.46	3.66	-51.53
CCCC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21)[NH+](C)C	REAL300030510400	0	57	0.0	-59.63	415.06	4.91	-54.72
CC(CC[NH+](C)C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510417	0	57	0.0	-65.19	426.20	5.06	-60.13
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510473	0	58	0.0	-58.10	424.54	4.85	-53.25
C[N@H+]1CC(C)(C)CC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510473	1	58	0.0	-58.10	424.54	4.85	-53.25
C[NH+](C)CCCCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510475	0	60	0.0	-65.33	456.78	5.95	-59.38
CN1CCN(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)CC1	REAL300030510482	0	57	0.0	-66.79	424.03	2.82	-63.97
C[NH+]1CCN(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)CC1	REAL300030510482	1	57	0.0	-66.79	424.03	2.82	-63.97
CC1CN(C)CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)O1	REAL300030510530	0	56	0.0	-67.82	416.26	3.51	-64.31
CC1C[N@H+](C)CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)O1	REAL300030510530	1	56	0.0	-63.86	416.06	3.77	-60.09
CC1C[N@@H+](C)CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)O1	REAL300030510530	1	56	0.0	-63.86	416.06	3.77	-60.09
C[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510581	0	55	0.0	-61.37	405.99	4.82	-56.55
C[N@@H+]1CCC(=CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)C1	REAL300030510641	0	53	0.0	-66.62	407.93	4.54	-62.08
C[N@H+]1CCC(=CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)C1	REAL300030510641	1	53	0.0	-66.62	407.93	4.54	-62.08
O=C(CNC1=CC=[NH+]C=C1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510644	0	51	0.0	-63.67	400.87	2.57	-61.10
C[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510710	0	52	0.0	-59.98	383.79	3.83	-56.15
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)C1	REAL300030510792	0	55	0.0	-63.87	419.39	4.75	-59.12
C[N@@H+]1CC=CCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510800	0	56	0.0	-57.98	415.83	5.04	-52.94
C[N@H+]1CC=CCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510800	1	56	0.0	-57.98	415.83	5.04	-52.94
C[NH+](C)CCOCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510835	0	55	0.0	-63.40	425.79	4.03	-59.37
[NH2+]=C1SC=CN1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510856	0	48	0.0	-60.83	392.22	3.52	-57.31
C[C@@H](OCC[NH+](C)C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510890	0	58	0.0	-62.07	436.29	4.84	-57.23
C[N@@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)C1	REAL300030510913	0	55	0.0	-67.24	401.42	4.86	-62.38
C[N@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)C1	REAL300030510913	1	55	0.0	-67.24	401.42	4.86	-62.38
O=C(C[NH+]1CCCCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510914	0	58	0.0	-63.25	416.39	5.38	-57.87
CN1C=C[N+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)=C1	REAL300030510918	0	50	0.0	-60.35	396.57	6.81	-53.54
O=C(CN1CCC(O)CC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510937	0	56	0.0	-66.85	418.37	1.81	-65.04
O=C(C[NH+]1CCC(O)CC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510937	1	56	0.0	-66.85	418.37	1.81	-65.04
C[N@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21)C1CC1	REAL300030510939	0	52	0.0	-60.43	394.56	4.69	-55.74
O=C(CC[N@H+]1CCC(F)C1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510942	0	55	0.0	-66.52	424.45	4.85	-61.67
CC(CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21)C[NH+](C)C	REAL300030510961	0	57	0.0	-64.83	427.06	4.99	-59.84
CN1CCOCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510980	0	56	0.0	-69.27	415.74	3.14	-66.13
C[N@@H+]1CCOCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510980	1	56	0.0	-63.15	408.65	2.97	-60.18
C[N@H+]1CCOCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510980	1	56	0.0	-63.15	408.65	2.97	-60.18
CC1=CC(N)=NC=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030511009	0	51	0.0	-64.03	394.79	2.57	-61.46
CC1=CC(N)=[NH+]C=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030511009	1	51	0.0	-64.03	394.79	2.57	-61.46
CC1(O)CC[N@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)C1	REAL300030511035	0	56	0.0	-61.03	426.33	1.42	-59.61
C[NH+]1CC(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)C1	REAL300030511061	0	52	0.0	-63.42	401.36	3.84	-59.58
C[N@H+](CCO)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030511090	0	55	0.0	-65.45	415.93	1.32	-64.13
C[N@@H+](CCO)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030511090	1	55	0.0	-65.45	415.93	1.32	-64.13
C[N@@H+]1CCCCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030511104	0	58	0.0	-55.87	416.91	5.36	-50.51
C[N@H+]1CCCCC1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030511104	1	58	0.0	-55.87	416.91	5.36	-50.51
CC1CCN1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030511118	0	52	0.0	-59.26	395.77	3.82	-55.44
CC1CC[N@@H+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030511118	1	52	0.0	-60.50	401.13	4.09	-56.41
CC1CC[N@H+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030511118	1	52	0.0	-60.50	401.13	4.09	-56.41
C[NH+](C)CC=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030511123	0	52	0.0	-67.39	401.63	4.52	-62.87
CC1(C)CN(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)C1	REAL300030511128	0	55	0.0	-63.55	415.62	4.96	-58.59
CC1(C)C[NH+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)C1	REAL300030511128	1	55	0.0	-63.55	415.62	4.96	-58.59
C[NH+](C)CCSCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030511148	0	55	0.0	-67.14	436.81	4.96	-62.18
O=C(C[N@H+]1CCCC1CO)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030511165	0	56	0.0	-60.91	418.45	1.89	-59.02
CC[NH+](CC)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030511169	0	54	0.0	-61.70	401.24	4.61	-57.09
O=C(CN1CCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030511178	0	49	0.0	-61.70	380.01	3.48	-58.22
O=C(C[NH+]1CCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030511178	1	49	0.0	-61.70	380.01	3.48	-58.22
CC[NH+](CC)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030511203	0	57	0.0	-61.74	427.86	4.94	-56.80
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21)N1CCC1	REAL300030511247	0	52	0.0	-63.48	392.63	4.21	-59.27
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21)[NH+]1CCC1	REAL300030511247	1	52	0.0	-63.48	392.63	4.21	-59.27
CCC(CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21)C[NH+](C)C	REAL300030511252	0	60	0.0	-61.26	445.15	5.63	-55.63
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030511284	0	55	0.0	-59.10	409.10	4.54	-54.56
C[NH+](C)CC(O)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030511305	0	55	0.0	-66.64	422.53	2.01	-64.63
C=CCC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21)[NH+](C)C	REAL300030511327	0	55	0.0	-58.17	406.63	4.65	-53.52
C[NH+](C)CCSCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030511397	0	55	0.0	-77.32	429.26	5.12	-72.20
C[N@@H+]1CCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030511561	0	52	0.0	-64.19	398.51	2.20	-61.99
CN1CCOC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)C1	REAL300030511585	0	53	0.0	-79.82	409.98	1.73	-78.09
C[N@@H+]1CCOC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)C1	REAL300030511585	1	53	0.0	-79.72	409.32	1.65	-78.07
C[N@H+]1CCOC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)C1	REAL300030511585	1	53	0.0	-79.72	409.32	1.65	-78.07
CC(C)[N@@H+]1CCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030511733	0	58	0.0	-63.28	424.68	3.39	-59.89
CC(C)[N@H+]1CCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030511733	1	58	0.0	-63.28	424.68	3.39	-59.89
CC1=NC=CN1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030511758	0	50	0.0	-63.62	401.39	2.82	-60.80
CC1=[NH+]C=CN1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030511758	1	50	0.0	-63.62	401.39	2.82	-60.80
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)C2C[NH+]3CCC2CC3)O1	REAL300030511779	0	56	0.0	-75.26	413.52	3.13	-72.13
C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)CC[N@@H+]1C	REAL300030511809	0	55	0.0	-69.82	414.25	2.62	-67.20
C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)CC[N@H+]1C	REAL300030511809	1	55	0.0	-69.82	414.25	2.62	-67.20
CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)CC[N@@H+]1C	REAL300030511811	0	58	0.0	-68.56	433.16	3.56	-65.00
CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)CC[N@H+]1C	REAL300030511811	1	58	0.0	-68.56	433.16	3.56	-65.00
CCN1CCOC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)C1	REAL300030511816	0	56	0.0	-75.43	427.11	2.30	-73.13
CC[N@@H+]1CCOC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)C1	REAL300030511816	1	56	0.0	-67.35	420.36	2.26	-65.09
CC[N@H+]1CCOC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)C1	REAL300030511816	1	56	0.0	-67.35	420.36	2.26	-65.09
CC1CCC(C)[NH+]1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030511866	0	58	0.0	-62.99	429.96	3.14	-59.85
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)CCC[NH+]2CCCC2)O1	REAL300030511869	0	58	0.0	-69.35	441.79	3.75	-65.60
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)CC[NH+]2CCCCC2)O1	REAL300030511872	0	58	0.0	-68.86	436.57	3.68	-65.18
CC[N@@H+]1CCCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030511875	0	58	0.0	-61.53	432.02	3.35	-58.18
CC[N@H+]1CCCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030511875	1	58	0.0	-62.98	431.80	3.36	-59.62
C[NH+](C)C1(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)CCC1	REAL300030511885	0	55	0.0	-63.57	405.82	2.94	-60.63
CC(C)[C@@H](C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1)[NH+](C)C	REAL300030511891	0	57	0.0	-66.71	420.89	3.38	-63.33
C[N@H+](CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1)C1CCC1	REAL300030511912	0	55	0.0	-64.68	418.18	3.19	-61.49
C[N@@H+](CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1)C1CCC1	REAL300030511912	1	55	0.0	-65.26	418.08	3.18	-62.08
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030511970	1	54	0.0	-65.46	418.90	3.08	-62.38
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030511970	1	54	0.0	-64.67	424.50	3.50	-61.17
C[N@@H+]1CCCC1CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030511975	0	58	0.0	-71.95	435.53	3.56	-68.39
C[N@H+]1CCCC1CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030511975	1	58	0.0	-67.70	433.87	3.15	-64.55
C[NH+]1CCC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)CC1	REAL300030511991	0	55	0.0	-73.86	417.13	2.91	-70.95
C[N@@H+]1CCCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030512022	0	55	0.0	-65.20	414.68	2.90	-62.30
C[N@H+]1CCCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030512022	1	55	0.0	-62.92	414.02	2.80	-60.12
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)C2=CN3C=[NH+]C=C3C=C2)O1	REAL300030512075	0	50	0.0	-70.04	402.73	4.75	-65.29
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)CC[NH+]2CCOCC2)O1	REAL300030512081	1	56	0.0	-72.07	427.85	1.26	-70.81
CC1=C[NH+]=CN1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030512094	1	50	0.0	-67.22	401.72	3.55	-63.67
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)C23CCC[NH+]2CCC3)O1	REAL300030512110	0	56	0.0	-68.90	416.88	3.13	-65.77
C[N@@H+]1CCC(CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)C1	REAL300030512117	0	55	0.0	-72.08	418.40	2.81	-69.27
C[N@H+]1CCC(CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)C1	REAL300030512117	1	55	0.0	-70.65	417.81	2.80	-67.85
CCC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1)[NH+](C)C	REAL300030512124	0	54	0.0	-63.31	400.61	2.32	-60.99
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)C2=CC3=C[NH+]=CN3C=C2)O1	REAL300030512148	1	50	0.0	-74.73	403.00	4.77	-69.96
C[NH+](C)CCCCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030512173	0	57	0.0	-71.86	437.94	3.38	-68.48
CC(C)C(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1)[NH+](C)C	REAL300030512185	0	57	0.0	-64.90	419.93	3.52	-61.38
CCC[N@H+](C)CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030512186	0	57	0.0	-70.28	434.17	3.20	-67.08
CCC[N@@H+](C)CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030512186	1	57	0.0	-70.37	434.17	3.21	-67.16
CCC[N@H+](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030512189	0	54	0.0	-67.04	411.19	2.62	-64.42
CCC[N@@H+](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030512189	1	54	0.0	-67.14	411.18	2.62	-64.52
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)C23CC[N@H+](C2)CCC3)O1	REAL300030512202	0	56	0.0	-69.87	414.21	2.52	-67.35
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)C23CC[N@@H+](C2)CCC3)O1	REAL300030512202	1	56	0.0	-69.55	414.54	2.46	-67.09
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030512226	0	52	0.0	-67.14	392.24	1.66	-65.48
C[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030512226	1	52	0.0	-64.12	398.22	2.27	-61.85
CC[NH+](CC)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030512255	0	54	0.0	-65.45	403.47	2.30	-63.15
CC1CC[NH+](CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)CC1	REAL300030512309	0	58	0.0	-67.61	434.93	3.67	-63.94
C[NH+](C)CC1(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)CC1	REAL300030512329	0	55	0.0	-70.56	424.67	3.02	-67.54
C[NH+]1CCC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)CC1	REAL300030512377	0	55	0.0	-73.86	417.13	2.91	-70.95
CC(C)[C@H](C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1)[NH+](C)C	REAL300030512392	0	57	0.0	-64.99	418.14	2.70	-62.29
CCC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1)[NH+](CC)CC	REAL300030512420	0	60	0.0	-60.51	436.77	3.59	-56.92
CC[N@H+](C)CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030512451	0	54	0.0	-69.63	412.68	2.45	-67.18
CC[N@@H+](C)CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030512451	1	54	0.0	-69.72	412.68	2.46	-67.26
CC1CCC[N@@H+]1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030512475	0	55	0.0	-63.74	411.30	2.65	-61.09
CC1CCC[N@H+]1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030512475	1	55	0.0	-64.30	416.96	3.01	-61.29
CC1CC[N@H+](CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)C1	REAL300030512476	0	55	0.0	-65.93	418.84	2.90	-63.03
CC1CC[N@@H+](CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)C1	REAL300030512476	1	55	0.0	-66.44	417.41	2.96	-63.48
CC1(C)CC[N@H+](CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)C1	REAL300030512479	0	58	0.0	-66.06	436.96	3.45	-62.61
CC1(C)CC[N@@H+](CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)C1	REAL300030512479	1	58	0.0	-66.06	436.83	3.44	-62.62
C[N@H+](CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1)CC(C)(C)C	REAL300030512480	0	60	0.0	-66.92	442.29	3.87	-63.05
C[N@@H+](CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1)CC(C)(C)C	REAL300030512480	1	60	0.0	-67.25	442.35	3.89	-63.36
CC[C@@H](C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1)[NH+](C)C	REAL300030512487	0	54	0.0	-63.13	402.16	2.22	-60.91
C[NH+](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030512572	0	48	0.0	-67.58	371.97	1.22	-66.36
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)C[NH+]2CCCCCC2)O1	REAL300030512575	0	58	0.0	-65.97	423.03	3.26	-62.71
CN1C=C[N+](CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)=C1	REAL300030512578	0	50	0.0	-65.67	403.81	4.76	-60.91
C[N@@H+]1CCCC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)C1	REAL300030512582	0	55	0.0	-69.25	417.12	2.89	-66.36
C[N@H+]1CCCC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)C1	REAL300030512582	1	55	0.0	-62.46	410.30	3.02	-59.44
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)C2CCC[N@@H+]2C2CC2)O1	REAL300030512587	0	56	0.0	-62.51	430.00	3.78	-58.73
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)C2CCC[N@H+]2C2CC2)O1	REAL300030512587	1	56	0.0	-62.55	424.88	3.64	-58.91
CC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1)[NH+]1CCC1	REAL300030512599	1	52	0.0	-65.67	402.51	2.11	-63.56
CCC(CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1)C[NH+](C)C	REAL300030512603	0	60	0.0	-62.63	447.11	3.82	-58.81
C[NH+](C)CC(C)(C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030512608	0	57	0.0	-62.39	419.14	2.82	-59.57
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)C[NH+]2CCC(O)CC2)O1	REAL300030512619	1	56	0.0	-71.70	425.17	-0.29	-71.99
C[N@H+](CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1)C1CC1	REAL300030512620	0	52	0.0	-63.93	401.49	2.53	-61.40
C[N@@H+](CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1)C1CC1	REAL300030512620	1	52	0.0	-64.26	401.63	2.54	-61.72
C[NH+]1CC(CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)C1	REAL300030512634	0	52	0.0	-69.95	403.41	2.04	-67.91
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030512644	0	58	0.0	-63.07	417.19	2.25	-60.82
CC(C)(C)[N@H+]1CCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030512644	1	58	0.0	-63.36	416.96	2.39	-60.97
C[C@@H](C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1)[NH+](C)C	REAL300030512655	0	51	0.0	-64.67	390.36	1.52	-63.15
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)CN2C=CSC2=[NH2+])O1	REAL300030512707	0	48	0.0	-62.72	399.03	1.39	-61.33
C[N@H+](CCO)CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030512712	0	55	0.0	-69.75	423.03	-0.75	-70.50
C[N@@H+](CCO)CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030512712	1	55	0.0	-68.83	423.03	-0.78	-69.61
C[C@@H](C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1)[NH+](C)C	REAL300030512713	0	51	0.0	-64.67	390.36	1.52	-63.15
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030512716	0	55	0.0	-65.52	404.99	2.71	-62.81
C[N@H+]1CCCC[C@@H]1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030512716	1	55	0.0	-64.62	414.58	2.84	-61.78
C[N@@H+]1CCC(=CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)C1	REAL300030512777	0	53	0.0	-72.45	410.09	2.69	-69.76
C[N@H+]1CCC(=CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)C1	REAL300030512777	1	53	0.0	-72.75	410.45	2.82	-69.93
C[NH+](C)CCOCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030512797	0	55	0.0	-68.04	427.84	2.27	-65.77
C=CCC(C)(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1)[NH+](C)C	REAL300030512809	0	58	0.0	-61.69	426.96	3.28	-58.41
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030512827	0	56	0.0	-67.95	420.06	-0.41	-68.36
CC1CN(CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)C1	REAL300030512844	0	52	0.0	-67.77	402.66	2.41	-65.36
CC1C[NH+](CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)C1	REAL300030512844	1	52	0.0	-67.77	402.66	2.41	-65.36
C[N@H+](CCO)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030512862	1	52	0.0	-68.11	400.04	-1.36	-69.47
C[N@@H+](CCO)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030512862	1	52	0.0	-67.30	399.87	-1.36	-68.66
CC[N@@H+]1CCCC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)C1	REAL300030512881	0	58	0.0	-67.51	434.83	3.55	-63.96
CC[N@H+]1CCCC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)C1	REAL300030512881	1	58	0.0	-67.41	434.19	3.47	-63.94
CC(CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1)C[NH+](C)C	REAL300030512883	0	57	0.0	-70.33	429.54	3.12	-67.21
CC[N@H+](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030512887	0	51	0.0	-66.75	389.69	1.88	-64.87
CC[N@@H+](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030512887	1	51	0.0	-66.83	389.69	1.88	-64.95
CC[N@H+](CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1)C1CC1	REAL300030512914	0	55	0.0	-63.49	421.14	3.26	-60.23
CC[N@@H+](CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1)C1CC1	REAL300030512914	1	55	0.0	-64.53	418.66	3.18	-61.35
CC[NH+](CC)CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030512923	0	57	0.0	-68.90	425.67	2.85	-66.05
C[NH+]1CCC(=CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)CC1	REAL300030512931	0	56	0.0	-69.39	425.71	3.53	-65.86
CC1(O)CC[N@H+](CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)C1	REAL300030512956	0	56	0.0	-66.97	428.35	-0.39	-67.36
CC1(O)CC[N@@H+](CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)C1	REAL300030512956	1	56	0.0	-67.58	428.16	-0.40	-67.98
C[NH+](C)CC=CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030512959	0	52	0.0	-73.61	409.19	2.46	-71.15
CC(OCC[NH+](C)C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030512967	0	58	0.0	-69.39	447.63	2.96	-66.43
C[NH+](C)CCOCCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030512973	0	58	0.0	-69.93	448.79	2.01	-67.92
COCC[N@H+](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030512974	1	55	0.0	-66.97	422.11	1.03	-65.94
COCC[N@@H+](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030512974	1	55	0.0	-68.34	422.29	1.04	-67.30
C[NH+](C)C1(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)CCCC1	REAL300030512993	0	58	0.0	-69.33	423.70	3.32	-66.01
CC(CCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1)[NH+](C)C	REAL300030512995	0	57	0.0	-72.57	424.83	2.95	-69.62
CC[N@@H+]1CCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030513001	1	52	0.0	-65.61	397.23	2.08	-63.53
CC[N@H+]1CCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030513001	1	52	0.0	-65.90	403.86	2.15	-63.75
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)C[N@@H+]2CCCC2CO)O1	REAL300030513012	0	56	0.0	-66.08	422.16	-0.69	-66.77
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)C[N@H+]2CCCC2CO)O1	REAL300030513012	1	56	0.0	-65.68	421.89	-0.81	-66.49
C[NH+]1CCC(C)(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)CC1	REAL300030513032	0	58	0.0	-68.76	429.47	3.22	-65.54
C=CCC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1)[NH+](C)C	REAL300030513049	0	55	0.0	-65.22	419.74	2.92	-62.30
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030513056	0	58	0.0	-63.73	437.96	3.35	-60.38
C[N@H+]1CC(C)(C)CC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030513056	1	58	0.0	-66.65	432.33	2.92	-63.73
C[NH+](C)CCCCCC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030513058	0	60	0.0	-71.36	459.44	4.17	-67.19
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)C[NH+]2CC3CC3C2)O1	REAL300030513063	0	53	0.0	-67.03	407.29	3.09	-63.94
CCCC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1)[NH+](C)C	REAL300030513076	0	57	0.0	-65.58	426.89	3.17	-62.41
C[NH+](C)C(C)(C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030513079	0	54	0.0	-69.24	399.25	2.41	-66.83
C[N@@H+]1CCCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030513103	0	55	0.0	-65.20	414.68	2.90	-62.30
C[N@H+]1CCCCC1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030513103	1	55	0.0	-62.92	414.02	2.80	-60.12
C[N@H+]1CC=C(CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)CC1	REAL300030513124	0	56	0.0	-67.99	431.72	3.58	-64.41
C[N@@H+]1CC=C(CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)CC1	REAL300030513124	1	56	0.0	-66.17	431.11	3.53	-62.64
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)C=CC[NH+]2CCCC2)O1	REAL300030513156	0	56	0.0	-72.23	434.27	3.63	-68.60
C[NH+](C)C1(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)CC1	REAL300030513184	0	52	0.0	-70.65	398.36	1.91	-68.74
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)CC[NH+]2CCCC2)O1	REAL300030513185	0	55	0.0	-68.66	420.56	2.86	-65.80
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)C2C[NH+]3CCN2CC3)O1	REAL300030513207	0	55	0.0	-75.84	408.52	-0.39	-76.23
C[N@@H+]1CC2CC1(C(=O)NCC1CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O1)C2	REAL300030513211	0	53	0.0	-70.65	403.55	2.41	-68.24
C[N@H+]1CC2CC1(C(=O)NCC1CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O1)C2	REAL300030513211	1	53	0.0	-68.60	403.45	2.39	-66.21
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)C[N@@H+]2CC3CCC2C3)O1	REAL300030513216	0	56	0.0	-64.07	416.46	3.03	-61.04
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)C[N@H+]2CC3CCC2C3)O1	REAL300030513216	1	56	0.0	-65.00	418.99	3.34	-61.66
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)C[N@@H+]2CC3C=CC2C3)O1	REAL300030513254	1	54	0.0	-63.95	411.40	3.12	-60.83
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)C[N@H+]2CC3C=CC2C3)O1	REAL300030513254	1	54	0.0	-63.33	411.67	3.13	-60.20
CC(C[NH+](C)C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030513285	0	54	0.0	-69.72	410.37	2.49	-67.23
C[N@@H+]1CCCCC1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030513326	0	58	0.0	-59.68	424.33	3.31	-56.37
C[N@H+]1CCCCC1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030513326	1	58	0.0	-70.94	430.98	3.42	-67.52
CC(C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1)[NH+]1CC(C)C1	REAL300030513335	1	55	0.0	-64.56	421.77	2.94	-61.62
CC1CC[N@@H+]1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030513337	1	52	0.0	-64.86	397.74	2.02	-62.84
CC1CC[N@H+]1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030513337	1	52	0.0	-65.96	403.92	2.34	-63.62
C[NH+](C)CC(O)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030513339	0	55	0.0	-73.90	425.19	0.29	-73.61
CC1C[N@H+](C)CC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)O1	REAL300030513358	1	56	0.0	-73.08	424.10	2.28	-70.80
CC1C[N@@H+](C)CC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)O1	REAL300030513358	1	56	0.0	-77.89	430.52	2.38	-75.51
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)C1	REAL300030513397	0	55	0.0	-70.62	422.24	2.98	-67.64
CC(CC[NH+](C)C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030513401	0	57	0.0	-70.46	432.01	3.12	-67.34
C[NH+]1CCN(CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)CC1	REAL300030513417	1	57	0.0	-68.61	431.58	0.75	-67.86
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)CSC(N)=[NH2+])O1	REAL300030513438	0	46	0.0	-69.92	379.88	-1.83	-71.75
C[NH+](C)CCC1(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)CC1	REAL300030513462	0	58	0.0	-67.59	447.33	3.77	-63.82
C[N@@H+]1CC=CCC1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030513463	0	56	0.0	-70.82	422.32	3.26	-67.56
C[N@H+]1CC=CCC1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030513463	1	56	0.0	-62.16	418.76	3.25	-58.91
C[C@@H](OCC[NH+](C)C)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030513473	0	58	0.0	-68.11	448.26	2.97	-65.14
CCC1CN(CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)C1	REAL300030513548	0	55	0.0	-68.23	424.89	3.09	-65.14
CCC1C[NH+](CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)C1	REAL300030513548	1	55	0.0	-68.23	424.89	3.09	-65.14
C[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030513553	0	52	0.0	-67.32	392.25	1.87	-65.45
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)CC[N@@H+]2CCC(F)C2)O1	REAL300030513559	0	55	0.0	-71.87	426.50	2.96	-68.91
CC1C(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)CC[N@@H+]1C	REAL300030513578	0	55	0.0	-70.57	410.26	2.42	-68.15
CC1C(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)CC[N@H+]1C	REAL300030513578	1	55	0.0	-70.57	410.26	2.42	-68.15
CN1CCOCC1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030513607	0	56	0.0	-64.87	415.08	0.88	-63.99
C[N@@H+]1CCOCC1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030513607	1	56	0.0	-74.25	423.13	1.08	-73.17
C[N@H+]1CCOCC1CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O1	REAL300030513607	1	56	0.0	-74.25	423.13	1.08	-73.17
C[N@@H+]1CCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030513775	0	52	0.0	-68.86	397.94	2.22	-66.64
CN1CCOC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)C1	REAL300030513801	0	53	0.0	-81.06	408.30	1.58	-79.48
C[N@@H+]1CCOC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)C1	REAL300030513801	1	53	0.0	-76.70	401.18	1.49	-75.21
C[N@H+]1CCOC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)C1	REAL300030513801	1	53	0.0	-76.70	401.18	1.49	-75.21
CC1(C)CN(C(=O)CC[NH+]2CCOCC2)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030513950	1	56	0.0	-76.79	430.43	1.48	-75.31
CC1(C)CN(C(=O)C23CCC[NH+]2CCC3)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030513959	0	56	0.0	-66.20	413.73	2.72	-63.48
CC1(C)CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030513962	1	50	0.0	-74.90	403.61	4.52	-70.38
C[N@@H+]1CCC(CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)C1	REAL300030513985	0	55	0.0	-73.24	422.28	3.00	-70.24
C[N@H+]1CCC(CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)C1	REAL300030513985	1	55	0.0	-74.13	421.48	3.08	-71.05
CCC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1)[NH+](C)C	REAL300030513992	0	54	0.0	-70.07	405.70	2.47	-67.60
C[NH+](C)CCCCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030514025	0	57	0.0	-73.57	440.54	3.60	-69.97
CC(C)C(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1)[NH+](C)C	REAL300030514039	0	57	0.0	-69.84	409.07	2.81	-67.03
CCC[N@H+](C)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030514040	0	57	0.0	-74.55	436.77	3.45	-71.10
CCC[N@@H+](C)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030514040	1	57	0.0	-74.62	436.73	3.42	-71.20
CCC[N@H+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030514043	0	54	0.0	-72.73	414.40	2.81	-69.92
CCC[N@@H+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030514043	1	54	0.0	-72.80	414.40	2.81	-69.99
CC1(C)CN(C(=O)C23CC[N@H+](C2)CCC3)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030514056	0	56	0.0	-72.41	408.63	2.29	-70.12
CC1(C)CN(C(=O)C23CC[N@@H+](C2)CCC3)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030514056	1	56	0.0	-72.22	409.19	2.22	-70.00
CC1CC[NH+](CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)CC1	REAL300030514084	0	58	0.0	-72.87	438.09	3.90	-68.97
C[NH+](C)CC1(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)CC1	REAL300030514122	0	55	0.0	-70.68	422.79	2.99	-67.69
CC[N@H+](C)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030514140	0	54	0.0	-73.84	415.23	2.68	-71.16
CC[N@@H+](C)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030514140	1	54	0.0	-73.80	415.27	2.68	-71.12
CC1(C)CN(C(=O)C2C[NH+]3CCC2CC3)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030514152	0	56	0.0	-76.77	413.01	2.87	-73.90
C[NH+]1CCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)CC1	REAL300030514193	0	55	0.0	-78.68	419.21	2.99	-75.69
CC(C)[C@H](C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1)[NH+](C)C	REAL300030514208	0	57	0.0	-70.15	412.75	2.71	-67.44
C[NH+](C)C1(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)CCC1	REAL300030514272	0	55	0.0	-70.96	397.59	2.27	-68.69
CCC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1)[NH+](CC)CC	REAL300030514300	0	60	0.0	-68.69	436.19	3.78	-64.91
CC1CCC[N@@H+]1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030514309	0	55	0.0	-69.01	413.83	2.80	-66.21
CC1CCC[N@H+]1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030514309	1	55	0.0	-69.74	420.31	3.17	-66.57
CC(C)[N@@H+]1CCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030514345	0	58	0.0	-67.07	430.29	3.33	-63.74
CC(C)[N@H+]1CCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030514345	1	58	0.0	-66.20	432.39	3.25	-62.95
CC(C)[C@@H](C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1)[NH+](C)C	REAL300030514352	0	57	0.0	-69.51	417.62	3.04	-66.47
CC1CC[N@H+](CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)C1	REAL300030514365	0	55	0.0	-71.40	420.79	3.04	-68.36
CC1CC[N@@H+](CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)C1	REAL300030514365	1	55	0.0	-71.80	421.26	3.17	-68.63
CC1(C)CC[N@H+](CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)C1	REAL300030514368	0	58	0.0	-71.53	440.48	3.60	-67.93
CC1(C)CC[N@@H+](CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)C1	REAL300030514368	1	58	0.0	-71.92	440.75	3.66	-68.26
C[N@H+](CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1)CC(C)(C)C	REAL300030514369	0	60	0.0	-72.51	443.00	3.81	-68.70
C[N@@H+](CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1)CC(C)(C)C	REAL300030514369	1	60	0.0	-72.39	444.96	3.97	-68.42
CC[C@@H](C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1)[NH+](C)C	REAL300030514376	0	54	0.0	-70.37	405.51	2.46	-67.91
CC1=[NH+]C=CN1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030514465	1	50	0.0	-68.70	404.88	2.97	-65.73
CC[N@@H+]1CCOC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)C1	REAL300030514513	1	56	0.0	-83.11	426.24	2.31	-80.80
CC[N@H+]1CCOC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)C1	REAL300030514513	1	56	0.0	-73.77	419.15	2.05	-71.72
CC1(C)CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030514536	0	50	0.0	-71.19	404.87	4.52	-66.67
CC1=C[NH+]=CN1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030514539	1	50	0.0	-71.51	404.96	3.74	-67.77
C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)CC[N@@H+]1C	REAL300030514544	0	55	0.0	-74.30	406.84	2.20	-72.10
C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)CC[N@H+]1C	REAL300030514544	1	55	0.0	-72.52	415.34	2.95	-69.57
CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)CC[N@@H+]1C	REAL300030514546	0	58	0.0	-72.42	432.87	3.01	-69.41
CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)CC[N@H+]1C	REAL300030514546	1	58	0.0	-71.21	432.69	3.41	-67.80
CC1CCC(C)[NH+]1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030514552	0	58	0.0	-67.92	432.15	3.21	-64.71
CC1(C)CN(C(=O)CCC[NH+]2CCCC2)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030514555	0	58	0.0	-72.49	443.37	3.88	-68.61
CC1(C)CN(C(=O)CC[NH+]2CCCCC2)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030514559	0	58	0.0	-73.38	439.17	3.89	-69.49
CC[N@@H+]1CCCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030514562	0	58	0.0	-68.11	422.18	3.12	-64.99
CC[N@H+]1CCCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030514562	1	58	0.0	-67.02	432.94	3.53	-63.49
C[N@H+](CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1)C1CCC1	REAL300030514646	0	55	0.0	-70.33	421.39	3.39	-66.94
C[N@@H+](CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1)C1CCC1	REAL300030514646	1	55	0.0	-70.79	421.29	3.38	-67.41
C[NH+]1CCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)CC1	REAL300030514671	0	55	0.0	-78.68	419.21	2.99	-75.69
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030514696	0	52	0.0	-70.36	393.57	1.96	-68.40
C[N@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030514696	1	52	0.0	-68.68	395.65	2.11	-66.57
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030514713	1	54	0.0	-68.44	420.34	3.10	-65.34
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030514713	1	54	0.0	-69.53	427.10	3.60	-65.93
C[N@@H+]1CCCC1CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030514718	0	58	0.0	-73.88	442.91	3.91	-69.97
C[N@H+]1CCCC1CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030514718	1	58	0.0	-71.47	437.10	3.49	-67.98
C[N@@H+]1CCCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030514783	0	55	0.0	-71.27	407.82	2.64	-68.63
C[N@H+]1CCCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030514783	1	55	0.0	-68.31	415.18	2.89	-65.42
CC1C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)CC[N@@H+]1C	REAL300030514835	0	55	0.0	-70.08	416.50	2.52	-67.56
CC1C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)CC[N@H+]1C	REAL300030514835	1	55	0.0	-71.02	412.87	2.41	-68.61
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030514887	0	58	0.0	-68.27	436.27	3.02	-65.25
CC(C)(C)[N@H+]1CCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030514887	1	58	0.0	-67.91	435.85	3.04	-64.87
C[C@@H](C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1)[NH+](C)C	REAL300030514901	0	51	0.0	-69.95	392.08	1.75	-68.20
C=CCC(C)(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1)[NH+](C)C	REAL300030514914	0	58	0.0	-65.16	420.32	2.88	-62.28
CC1(C)CN(C(=O)CC[NH+]2CCCC2)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030514928	0	55	0.0	-73.25	423.50	3.18	-70.07
C[N@H+](CCO)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030514937	1	52	0.0	-73.26	403.26	-1.16	-74.42
C[N@@H+](CCO)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030514937	1	52	0.0	-72.63	402.97	-1.15	-73.78
C[N@H+]1CC=C(CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)CC1	REAL300030514986	0	56	0.0	-71.04	434.59	3.74	-67.30
C[N@@H+]1CC=C(CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)CC1	REAL300030514986	1	56	0.0	-69.77	434.30	3.79	-65.98
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030515004	0	56	0.0	-67.93	413.94	-1.50	-69.43
C[N@H+]1CC(O)CC1(C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030515004	1	56	0.0	-70.54	418.08	-1.13	-71.67
CC1C[NH+](CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)C1	REAL300030515030	1	52	0.0	-72.43	406.78	2.45	-69.98
CC[N@@H+]1CCCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)C1	REAL300030515036	0	58	0.0	-69.26	429.02	3.76	-65.50
CC[N@H+]1CCCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)C1	REAL300030515036	1	58	0.0	-71.60	437.13	3.62	-67.98
CC1(C)CN(C(=O)CC2=CC=C[NH+]=C2N)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030515040	0	51	0.0	-68.52	409.71	1.22	-67.30
CC1(C)CN(C(=O)C2CCC[N@@H+]2C2CC2)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030515047	0	56	0.0	-66.60	429.12	3.67	-62.93
CC1(C)CN(C(=O)C2CCC[N@H+]2C2CC2)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030515047	1	56	0.0	-68.59	424.50	3.20	-65.39
CC1(C)CN(C(=O)C=CC[NH+]2CCCC2)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030515068	0	56	0.0	-77.54	434.59	3.70	-73.84
CC[N@H+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030515109	0	51	0.0	-72.16	393.20	2.03	-70.13
CC1(C)CN(C(=O)CN2CC3C=CC2C3)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030515140	0	54	0.0	-68.67	414.26	3.28	-65.39
CC1(C)CN(C(=O)C[N@@H+]2CC3C=CC2C3)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030515140	1	54	0.0	-68.69	414.52	3.31	-65.38
CC1(C)CN(C(=O)C[N@H+]2CC3C=CC2C3)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030515140	1	54	0.0	-68.69	414.52	3.31	-65.38
CC(OCC[NH+](C)C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030515214	0	58	0.0	-69.44	446.38	2.96	-66.48
C[NH+](C)CCOCCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030515221	0	58	0.0	-71.18	451.99	2.26	-68.92
COCCN(C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030515223	0	55	0.0	-72.38	425.22	1.24	-71.14
COCC[N@H+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030515223	1	55	0.0	-73.41	425.47	1.23	-72.18
COCC[N@@H+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030515223	1	55	0.0	-73.41	425.47	1.23	-72.18
CC(CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1)[NH+](C)C	REAL300030515226	0	57	0.0	-71.61	432.52	3.21	-68.40
CC[N@H+](CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1)C1CC1	REAL300030515240	0	55	0.0	-70.74	416.50	3.32	-67.42
C[N@@H+]1CC2CC1(C(=O)N1CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C1)C2	REAL300030515265	0	53	0.0	-71.09	401.72	2.41	-68.68
CC1(C)CN(C(=O)C[N@@H+]2CC3CCC2C3)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030515272	0	56	0.0	-69.19	419.82	3.28	-65.91
CC(C[NH+](C)C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030515286	0	54	0.0	-73.12	410.83	2.46	-70.66
CCN1CCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030515316	0	52	0.0	-71.44	405.72	2.32	-69.12
CC[N@@H+]1CCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030515316	1	52	0.0	-71.00	405.92	2.32	-68.68
CC[N@H+]1CCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030515316	1	52	0.0	-71.00	405.92	2.32	-68.68
CCC(C)(C)[NH2+]C(C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030515324	0	60	0.0	-69.00	437.15	1.81	-67.19
CCCC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1)[NH+](C)C	REAL300030515355	0	57	0.0	-70.75	426.47	3.21	-67.54
C[NH+](C)C(C)(C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030515359	0	54	0.0	-74.07	390.72	1.76	-72.31
CC(CC[NH+](C)C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030515372	0	57	0.0	-73.49	434.85	3.17	-70.32
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030515422	0	58	0.0	-68.66	437.24	3.42	-65.24
C[NH+](C)CCCCCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030515424	0	60	0.0	-72.70	462.04	4.37	-68.33
CN1CCN(CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)CC1	REAL300030515431	0	57	0.0	-71.47	434.47	0.84	-70.63
C[NH+]1CCN(CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)CC1	REAL300030515431	1	57	0.0	-71.47	434.47	0.84	-70.63
CC1CN(C)CC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)O1	REAL300030515477	0	56	0.0	-80.17	422.47	2.35	-77.82
CC1C[N@H+](C)CC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)O1	REAL300030515477	1	56	0.0	-78.70	423.32	2.43	-76.27
CC1C[N@@H+](C)CC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)O1	REAL300030515477	1	56	0.0	-78.70	423.32	2.43	-76.27
C[N@@H+]1CCCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030515523	0	55	0.0	-68.31	415.18	2.89	-65.42
C[N@@H+]1CCC(=CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)C1	REAL300030515584	0	53	0.0	-77.83	412.45	2.98	-74.85
C[N@H+]1CCC(=CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)C1	REAL300030515584	1	53	0.0	-77.83	412.45	2.98	-74.85
CC1(C)CN(C(=O)CNC2=CC=[NH+]C=C2)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030515586	0	51	0.0	-70.94	410.89	0.68	-70.26
C[NH+](C)C1(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)CCCC1	REAL300030515637	0	58	0.0	-70.26	418.72	2.81	-67.45
CCC1CN(CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)C1	REAL300030515646	0	55	0.0	-73.38	427.91	3.16	-70.22
CCC1C[NH+](CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)C1	REAL300030515646	1	55	0.0	-73.38	427.91	3.16	-70.22
C[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030515655	0	52	0.0	-70.49	393.82	1.96	-68.53
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)C1	REAL300030515737	0	55	0.0	-72.08	424.01	3.15	-68.93
C[NH+](C)CCC1(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)CC1	REAL300030515745	0	58	0.0	-72.66	446.60	3.80	-68.86
C[N@@H+]1CC=CCC1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030515746	0	56	0.0	-74.64	426.62	3.46	-71.18
C[N@H+]1CC=CCC1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030515746	1	56	0.0	-74.64	426.62	3.46	-71.18
C[NH+](C)CCOCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030515775	0	55	0.0	-71.35	431.04	2.56	-68.79
CC1(C)CN(C(=O)CN2C=CSC2=[NH2+])CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030515800	0	48	0.0	-67.82	402.53	1.54	-66.28
C[C@@H](OCC[NH+](C)C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030515833	0	58	0.0	-70.25	447.81	2.95	-67.30
CC1(C)CN(C(=O)C[NH+]2CCCCC2)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030515858	0	55	0.0	-72.00	416.90	3.27	-68.73
C[N@@H+]1CCCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)C1	REAL300030515859	0	55	0.0	-72.72	418.49	2.90	-69.82
C[N@H+]1CCCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)C1	REAL300030515859	1	55	0.0	-66.31	409.97	3.06	-63.25
CC1(C)CN(C(=O)C[NH+]2CCCCCC2)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030515860	0	58	0.0	-71.69	426.25	3.47	-68.22
CN1C=C[N+](CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)=C1	REAL300030515863	0	50	0.0	-70.08	406.41	4.93	-65.15
CC1(C)CN(C(=O)C[NH+]2CCC(O)CC2)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030515882	1	56	0.0	-76.94	428.33	-0.07	-77.01
C[N@H+](CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1)C1CC1	REAL300030515883	0	52	0.0	-69.55	404.40	2.82	-66.73
C[N@@H+](CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1)C1CC1	REAL300030515883	1	52	0.0	-69.95	404.87	2.77	-67.18
CC1(C)CN(C(=O)CC[N@@H+]2CCC(F)C2)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030515886	0	55	0.0	-78.27	429.20	3.22	-75.05
CC1(C)CN(C(=O)CC[N@H+]2CCC(F)C2)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030515886	1	55	0.0	-77.28	429.33	3.27	-74.01
CC(CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1)C[NH+](C)C	REAL300030515905	0	57	0.0	-73.61	432.33	3.47	-70.14
C[N@@H+]1CCOCC1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030515924	1	56	0.0	-69.64	418.29	1.14	-68.50
C[N@H+]1CCOCC1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030515924	1	56	0.0	-69.50	418.57	1.08	-68.42
CC1=CC(N)=[NH+]C=C1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030515960	1	51	0.0	-70.65	408.35	0.65	-70.00
CC1(O)CC[N@H+](CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)C1	REAL300030515987	0	56	0.0	-71.41	431.47	-0.24	-71.65
CC1(O)CC[N@@H+](CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)C1	REAL300030515987	1	56	0.0	-72.97	431.76	-0.16	-73.13
C[NH+]1CC(CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)C1	REAL300030516010	0	52	0.0	-73.35	406.41	2.27	-71.08
C[NH+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030516019	0	48	0.0	-73.16	375.13	1.39	-71.77
C[N@H+](CCO)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030516034	0	55	0.0	-73.48	425.58	-0.54	-74.02
C[N@@H+](CCO)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030516034	1	55	0.0	-73.32	425.60	-0.56	-73.88
C[C@@H](C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1)[NH+](C)C	REAL300030516035	0	51	0.0	-69.95	392.08	1.75	-68.20
C[N@@H+]1CCCCC1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030516049	0	58	0.0	-74.06	434.40	3.66	-70.40
C[N@H+]1CCCCC1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030516049	1	58	0.0	-66.31	427.20	3.46	-62.85
CC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1)[NH+]1CC(C)C1	REAL300030516059	1	55	0.0	-69.64	422.82	2.91	-66.73
CC1CC[N@@H+]1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030516061	1	52	0.0	-71.22	406.42	2.47	-68.75
CC1CC[N@H+]1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030516061	1	52	0.0	-70.04	401.19	2.17	-67.87
C[NH+](C)CC=CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030516067	0	52	0.0	-78.80	411.32	2.68	-76.12
CC1(C)CN(C(=O)C[N@@H+]2CCCC2CO)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030516108	0	56	0.0	-71.42	428.51	-0.10	-71.52
CC1(C)CN(C(=O)C[N@H+]2CCCC2CO)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030516108	1	56	0.0	-70.74	429.56	-0.18	-70.92
CC[NH+](CC)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030516112	0	54	0.0	-70.55	411.10	2.78	-67.77
CC1(C)CN(C(=O)C[NH+]2CCC2)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030516121	1	49	0.0	-72.53	385.76	1.82	-70.71
CC[NH+](CC)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030516149	0	57	0.0	-72.79	433.12	3.39	-69.40
CC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1)[NH+]1CCC1	REAL300030516201	1	52	0.0	-69.33	401.45	2.20	-67.13
CCC(CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1)C[NH+](C)C	REAL300030516206	0	60	0.0	-73.70	446.64	3.95	-69.75
C[NH+](C)CC(C)(C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030516211	0	57	0.0	-71.80	414.87	2.84	-68.96
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030516243	0	55	0.0	-69.65	404.45	2.53	-67.12
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030516243	1	55	0.0	-68.35	415.18	2.89	-65.46
C[NH+](C)CC(O)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1	REAL300030516264	0	55	0.0	-76.63	427.88	0.45	-76.18
C=CCC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)OC(C)(C)C1)[NH+](C)C	REAL300030516285	0	55	0.0	-70.28	419.00	2.97	-67.31
C[NH+]1CCC(C)(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)CC1	REAL300030516297	0	58	0.0	-71.46	424.33	2.87	-68.59
C[N@@H+]1CCCC1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030516513	0	52	0.0	-70.83	396.19	4.93	-65.90
C[N@H+]1CCCC1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030516513	1	52	0.0	-70.84	395.03	5.10	-65.74
C[N@@H+]1CCOC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030516537	1	53	0.0	-75.23	397.08	4.08	-71.15
C[N@H+]1CCOC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030516537	1	53	0.0	-78.64	397.18	4.09	-74.55
CC(C)[N@@H+]1CCCC1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030516693	0	58	0.0	-71.40	428.78	6.06	-65.34
CC(C)[N@H+]1CCCC1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030516693	1	58	0.0	-68.99	427.26	6.01	-62.98
CC1=[NH+]C=CN1CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030516726	1	50	0.0	-72.89	400.50	5.61	-67.28
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3C[NH+]4CCC3CC4)C2)CC1	REAL300030516754	0	56	0.0	-84.48	410.85	5.72	-78.76
C[C@@H]1[C@H](C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@@H+]1C	REAL300030516788	0	55	0.0	-80.15	407.67	5.11	-75.04
C[C@@H]1[C@H](C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@H+]1C	REAL300030516788	1	55	0.0	-77.63	411.79	5.63	-72.00
CC[C@@H]1[C@@H](C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@@H+]1C	REAL300030516790	0	58	0.0	-76.31	428.42	5.70	-70.61
CC[C@@H]1[C@@H](C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@H+]1C	REAL300030516790	1	58	0.0	-75.74	433.03	5.88	-69.86
CC[N@@H+]1CCOC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030516797	1	56	0.0	-84.44	423.71	5.01	-79.43
CC[N@H+]1CCOC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030516797	1	56	0.0	-74.73	415.21	4.84	-69.89
CC[NH+](CC)CC(F)C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030516825	0	57	0.0	-78.16	432.39	5.89	-72.27
CC1CCC(C)[NH+]1CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030516861	0	58	0.0	-71.47	428.44	5.91	-65.56
O=C(CCC[NH+]1CCCC1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030516864	0	58	0.0	-77.19	441.00	6.58	-70.61
O=C(CC[NH+]1CCCCC1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030516867	0	58	0.0	-77.02	435.48	6.60	-70.42
CC[N@@H+]1CCCCC1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030516870	0	58	0.0	-68.62	430.54	6.27	-62.35
CC[N@H+]1CCCCC1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030516870	1	58	0.0	-71.84	430.47	6.20	-65.64
C[NH+](C)C1(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CCC1	REAL300030516881	0	55	0.0	-80.01	400.99	5.02	-74.99
CC(C)[C@@H](C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300030516888	0	57	0.0	-70.36	415.74	5.68	-64.68
C[N@H+](CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CCC1	REAL300030516913	0	55	0.0	-71.21	417.58	6.13	-65.08
C[N@@H+](CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CCC1	REAL300030516913	1	55	0.0	-73.36	417.34	5.98	-67.38
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030516989	1	54	0.0	-70.29	416.59	5.72	-64.57
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030516989	1	54	0.0	-71.97	421.80	6.29	-65.68
C[N@@H+]1CCCC1CCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030516994	0	58	0.0	-79.72	438.86	6.66	-73.06
C[N@H+]1CCCC1CCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030516994	1	58	0.0	-76.32	435.11	6.41	-69.91
C[NH+]1CCC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300030517014	0	55	0.0	-82.57	413.10	5.43	-77.14
C[N@@H+]1CCCCC1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030517053	0	55	0.0	-71.55	399.84	5.23	-66.32
C[N@H+]1CCCCC1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030517053	1	55	0.0	-71.90	399.59	5.06	-66.84
O=C(C1=CN2C=[NH+]C=C2C=C1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030517123	0	50	0.0	-78.59	396.17	7.08	-71.51
O=C(CC[NH+]1CCOCC1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030517130	1	56	0.0	-80.39	426.44	4.06	-76.33
CC1=C[NH+]=CN1CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030517143	1	50	0.0	-75.06	400.86	6.34	-68.72
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C34CCC[NH+]3CCC4)C2)CC1	REAL300030517164	0	56	0.0	-77.17	405.38	5.54	-71.63
C[N@@H+]1CCC(CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030517175	0	55	0.0	-78.89	418.16	5.60	-73.29
C[N@H+]1CCC(CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030517175	1	55	0.0	-79.65	417.80	5.76	-73.89
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030517181	0	54	0.0	-81.51	419.87	4.27	-77.24
CCC(C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300030517183	0	54	0.0	-72.74	403.76	5.12	-67.62
O=C(C1=CC2=C[NH+]=CN2C=C1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030517210	1	50	0.0	-84.08	396.44	7.09	-76.99
C[NH+](C)CCCCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030517242	0	57	0.0	-79.45	436.53	6.18	-73.27
CC(C)C(C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300030517256	0	57	0.0	-73.78	415.83	5.84	-67.94
CCC[N@H+](C)CCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030517257	0	57	0.0	-78.59	432.77	6.02	-72.57
CCC[N@@H+](C)CCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030517257	1	57	0.0	-75.91	433.06	6.12	-69.79
CCC[N@H+](C)CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030517261	0	54	0.0	-75.51	410.33	5.41	-70.10
CCC[N@@H+](C)CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030517261	1	54	0.0	-75.43	410.33	5.40	-70.03
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C34CC[N@H+](C3)CCC4)C2)CC1	REAL300030517276	0	56	0.0	-78.77	408.28	5.06	-73.71
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C34CC[N@@H+](C3)CCC4)C2)CC1	REAL300030517276	1	56	0.0	-78.37	407.78	5.07	-73.30
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030517302	0	52	0.0	-72.98	390.47	4.66	-68.32
C[N@H+]1CCC[C@@H]1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030517302	1	52	0.0	-70.80	395.04	5.10	-65.70
CC[NH+](CC)CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030517337	0	54	0.0	-73.80	402.67	5.11	-68.69
CC1CC[NH+](CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300030517398	0	58	0.0	-75.67	433.75	6.52	-69.15
C[NH+](C)CC1(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300030517420	0	55	0.0	-76.60	420.54	5.65	-70.95
C[NH+]1CCC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300030517473	0	55	0.0	-82.57	413.10	5.43	-77.14
CC(C)[C@H](C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300030517489	0	57	0.0	-75.14	416.75	5.85	-69.29
CCC(C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](CC)CC	REAL300030517517	0	60	0.0	-68.98	433.03	6.22	-62.76
CC[N@H+](C)CCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030517558	0	54	0.0	-77.76	411.27	5.28	-72.48
CC[N@@H+](C)CCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030517558	1	54	0.0	-77.80	411.26	5.28	-72.52
CC1CCC[N@@H+]1CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030517588	0	55	0.0	-72.04	409.51	5.36	-66.68
CC1CCC[N@H+]1CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030517588	1	55	0.0	-70.21	416.42	5.82	-64.39
CC1CC[N@H+](CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030517590	0	55	0.0	-72.24	417.49	5.70	-66.54
CC1CC[N@@H+](CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030517590	1	55	0.0	-74.36	416.44	5.68	-68.68
CC1(C)CC[N@H+](CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030517594	0	58	0.0	-74.80	436.61	6.27	-68.53
CC1(C)CC[N@@H+](CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030517594	1	58	0.0	-72.46	436.81	6.39	-66.07
C[N@H+](CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)CC(C)(C)C	REAL300030517595	0	60	0.0	-75.43	438.87	6.40	-69.03
C[N@@H+](CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)CC(C)(C)C	REAL300030517595	1	60	0.0	-74.83	441.42	6.56	-68.27
CC[C@@H](C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300030517603	0	54	0.0	-72.16	400.52	4.97	-67.19
C[NH+](C)CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030517707	0	48	0.0	-76.02	371.17	4.04	-71.98
O=C(C[NH+]1CCCCCC1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030517711	0	58	0.0	-74.65	422.25	6.10	-68.55
CN1C=C[N+](CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)=C1	REAL300030517714	0	50	0.0	-73.42	402.33	7.51	-65.91
C[N@@H+]1CCCC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030517719	0	55	0.0	-80.12	407.12	5.46	-74.66
C[N@H+]1CCCC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030517719	1	55	0.0	-77.43	411.10	5.34	-72.09
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3CCC[N@@H+]3C3CC3)C2)CC1	REAL300030517724	0	56	0.0	-68.44	423.22	6.31	-62.13
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3CCC[N@H+]3C3CC3)C2)CC1	REAL300030517724	1	56	0.0	-71.70	420.89	5.84	-65.86
CC(C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+]1CCC1	REAL300030517740	0	52	0.0	-75.87	393.10	4.68	-71.19
CCC(CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C[NH+](C)C	REAL300030517744	0	60	0.0	-82.06	445.87	6.65	-75.41
C[NH+](C)CC(C)(C)C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030517749	0	57	0.0	-76.84	415.01	5.32	-71.52
O=C(C[NH+]1CCC(O)CC1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030517764	1	56	0.0	-79.85	423.99	2.56	-77.29
C[N@H+](CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300030517765	0	52	0.0	-72.58	400.45	5.44	-67.14
C[N@@H+](CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300030517765	1	52	0.0	-72.97	400.59	5.45	-67.52
C[NH+]1CC(CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030517781	0	52	0.0	-77.18	402.46	4.87	-72.31
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030517792	0	58	0.0	-70.69	432.68	5.86	-64.83
CC(C)(C)[N@H+]1CCC1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030517792	1	58	0.0	-73.14	432.64	5.64	-67.50
C[C@@H](C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300030517803	0	51	0.0	-74.00	388.53	4.38	-69.62
[NH2+]=C1SC=CN1CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030517862	0	48	0.0	-71.65	398.16	4.18	-67.47
C[N@H+](CCO)CCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030517869	0	55	0.0	-77.74	421.62	2.05	-75.69
C[N@@H+](CCO)CCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030517869	1	55	0.0	-74.91	421.93	2.12	-72.79
C[C@@H](C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300030517870	0	51	0.0	-74.00	388.53	4.38	-69.62
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030517874	0	55	0.0	-73.52	399.84	5.17	-68.35
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030517874	1	55	0.0	-69.62	412.54	5.53	-64.09
O=C(C[NH+]1CCC1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030517924	1	49	0.0	-73.48	381.78	4.62	-68.86
C[N@@H+]1CCC(=CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030517943	0	53	0.0	-78.44	409.12	5.62	-72.82
C[N@H+]1CCC(=CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030517943	1	53	0.0	-80.50	409.11	5.63	-74.87
C[NH+](C)CCOCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030517966	0	55	0.0	-77.02	427.04	5.14	-71.88
C=CCC(C)(C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300030517980	0	58	0.0	-75.73	419.06	5.81	-69.92
C[S+](C)CCC(O)C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030517984	0	54	0.0	-78.40	431.97	3.62	-74.78
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518003	0	56	0.0	-82.70	412.59	1.77	-80.93
CC1CN(CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030518022	0	52	0.0	-75.70	402.40	5.08	-70.62
CC1C[NH+](CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030518022	1	52	0.0	-75.70	402.40	5.08	-70.62
CN(CCO)CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518040	0	52	0.0	-76.10	399.19	1.43	-74.67
C[N@H+](CCO)CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518040	1	52	0.0	-76.18	399.19	1.45	-74.73
C[N@@H+](CCO)CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518040	1	52	0.0	-76.18	399.19	1.45	-74.73
CC[N@@H+]1CCCC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030518060	0	58	0.0	-67.27	424.76	6.42	-60.85
CC[N@H+]1CCCC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030518060	1	58	0.0	-67.27	424.76	6.42	-60.85
CC(CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C[NH+](C)C	REAL300030518062	0	57	0.0	-78.65	428.36	6.05	-72.60
CC[N@H+](C)CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518067	0	51	0.0	-75.17	388.83	4.66	-70.51
CC[N@H+](CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300030518100	0	55	0.0	-72.62	417.22	6.05	-66.57
CC[NH+](CC)CCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518110	0	57	0.0	-77.23	424.86	5.70	-71.53
CC1(C)CN(CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030518128	0	55	0.0	-75.77	421.51	5.65	-70.12
CC1(C)C[NH+](CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030518128	1	55	0.0	-75.77	421.51	5.65	-70.12
CC1(O)CC[N@H+](CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030518146	0	56	0.0	-72.22	427.36	2.46	-69.76
C[NH+](C)CC=CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518150	0	52	0.0	-81.30	408.15	5.26	-76.04
CC(OCC[NH+](C)C)C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518159	0	58	0.0	-75.26	442.17	5.65	-69.61
C[NH+](C)CCOCCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518165	0	58	0.0	-76.87	447.93	4.85	-72.02
COCCN(C)CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518166	0	55	0.0	-75.98	421.44	3.86	-72.12
COCC[N@H+](C)CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518166	1	55	0.0	-76.24	421.44	3.83	-72.41
COCC[N@@H+](C)CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518166	1	55	0.0	-76.24	421.44	3.83	-72.41
C[NH+](C)C1(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CCCC1	REAL300030518186	0	58	0.0	-74.86	413.24	5.58	-69.28
CC(CCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300030518188	0	57	0.0	-81.39	424.75	5.77	-75.62
CC[N@@H+]1CCC1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518194	0	52	0.0	-72.80	402.77	4.96	-67.84
O=C(C[N@H+]1CCCC1CO)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518207	0	56	0.0	-72.46	421.06	2.22	-70.24
C[NH+]1CCC(C)(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300030518229	0	58	0.0	-76.59	422.19	5.65	-70.94
C=CCC(C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300030518248	0	55	0.0	-75.12	417.61	5.67	-69.45
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518255	0	58	0.0	-73.01	434.73	6.15	-66.86
C[N@H+]1CC(C)(C)CC1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518255	1	58	0.0	-73.01	434.73	6.15	-66.86
C[NH+](C)CCCCCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518257	0	60	0.0	-78.68	458.03	6.96	-71.72
O=C(C[NH+]1CC2CC2C1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518262	0	53	0.0	-75.39	406.83	5.87	-69.52
CCCC(C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300030518278	0	57	0.0	-75.30	424.61	5.93	-69.37
C[NH+](C)C(C)(C)C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518281	0	54	0.0	-81.42	393.60	5.11	-76.31
C[N@@H+]1CCCCC1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518307	0	55	0.0	-71.90	399.59	5.06	-66.84
C[N@H+]1CC=C(CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300030518331	0	56	0.0	-73.74	429.98	6.33	-67.41
C[N@@H+]1CC=C(CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300030518331	1	56	0.0	-73.74	429.98	6.33	-67.41
O=C(C=CC[NH+]1CCCC1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518371	0	56	0.0	-80.00	433.23	6.43	-73.57
O=C(CC[NH+]1CCCC1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518404	0	55	0.0	-77.25	419.50	5.77	-71.48
C[N@@H+]1CC2CC1(C(=O)N1CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C1)C2	REAL300030518433	0	53	0.0	-77.39	398.08	5.08	-72.31
O=C(C[N@@H+]1CC2CCC1C2)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518440	0	56	0.0	-72.49	415.12	5.81	-66.68
O=C(C[N@H+]1CC2CCC1C2)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518440	1	56	0.0	-72.49	415.12	5.81	-66.68
O=C(CN1CC2C=CC1C2)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518480	0	54	0.0	-73.48	410.94	6.01	-67.47
O=C(C[N@@H+]1CC2C=CC1C2)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518480	1	54	0.0	-69.79	410.21	6.00	-63.79
O=C(C[N@H+]1CC2C=CC1C2)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518480	1	54	0.0	-69.79	410.21	6.00	-63.79
CC(C[NH+](C)C)C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518512	0	54	0.0	-78.82	411.07	5.21	-73.61
C[N@@H+]1CCCCC1CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518562	0	58	0.0	-75.94	430.06	6.12	-69.82
C[N@H+]1CCCCC1CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518562	1	58	0.0	-75.94	430.06	6.12	-69.82
CC1CC[N@@H+]1CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518574	0	52	0.0	-71.14	396.75	4.83	-66.31
C[NH+](C)CC(O)CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518577	0	55	0.0	-81.77	423.60	3.10	-78.67
CC1CN(C)CC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)O1	REAL300030518597	0	56	0.0	-87.15	427.67	5.14	-82.01
CC1C[N@H+](C)CC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)O1	REAL300030518597	1	56	0.0	-90.05	417.97	4.76	-85.29
CC1C[N@@H+](C)CC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)O1	REAL300030518597	1	56	0.0	-90.05	417.97	4.76	-85.29
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030518644	0	55	0.0	-78.15	420.81	5.85	-72.30
CC(CC[NH+](C)C)C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518650	0	57	0.0	-79.03	432.73	5.81	-73.22
CN1CCN(CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300030518669	0	57	0.0	-76.48	430.34	3.52	-72.96
C[NH+]1CCN(CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300030518669	1	57	0.0	-76.48	430.34	3.52	-72.96
NC(=[NH2+])SCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518693	0	46	0.0	-78.81	379.09	1.00	-77.81
C[NH+](C)CCC1(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300030518722	0	58	0.0	-80.17	444.88	6.45	-73.72
C[N@@H+]1CC=CCC1CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518723	0	56	0.0	-79.82	422.69	6.10	-73.72
C[N@H+]1CC=CCC1CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518723	1	56	0.0	-79.82	422.69	6.10	-73.72
C[C@@H](OCC[NH+](C)C)C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518736	0	58	0.0	-75.28	442.10	5.63	-69.65
CCC1C[NH+](CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030518822	0	55	0.0	-76.54	423.76	5.84	-70.70
C[N@@H+]1CCC[C@H]1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518827	0	52	0.0	-73.06	396.38	5.01	-68.05
C[N@H+]1CCC[C@H]1C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518827	1	52	0.0	-71.79	390.09	4.54	-67.25
O=C(CC[N@@H+]1CCC(F)C1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518833	1	55	0.0	-79.65	425.80	5.86	-73.79
O=C(C[NH+]1CCCCC1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518846	0	55	0.0	-74.85	412.91	5.91	-68.94
CC1C(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@@H+]1C	REAL300030518852	0	55	0.0	-76.14	415.71	5.59	-70.55
CC1C(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@H+]1C	REAL300030518852	1	55	0.0	-77.50	407.95	4.94	-72.56
C[N@@H+]1CCOCC1CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518881	1	56	0.0	-71.42	414.48	3.70	-67.72
C[N@H+]1CCOCC1CC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518881	1	56	0.0	-79.62	421.57	3.73	-75.89
C[N@@H+]1CCCC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030519052	0	52	0.0	-74.02	390.69	4.62	-69.40
C[N@H+]1CCCC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030519052	1	52	0.0	-73.13	395.00	4.91	-68.22
C[N@@H+]1CCOC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030519078	1	53	0.0	-80.90	398.23	4.24	-76.66
C[N@H+]1CCOC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030519078	1	53	0.0	-88.92	405.12	4.31	-84.61
O=C(CC[NH+]1CCOCC1)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030519231	1	56	0.0	-81.12	427.31	4.19	-76.93
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1	REAL300030519243	0	56	0.0	-75.56	403.35	5.51	-70.05
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)CC2)C1	REAL300030519249	1	50	0.0	-82.12	401.28	7.32	-74.80
C[N@@H+]1CCC(CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030519280	0	55	0.0	-76.11	419.11	5.68	-70.43
C[N@H+]1CCC(CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030519280	1	55	0.0	-76.27	419.00	5.74	-70.53
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030519286	0	54	0.0	-80.17	425.17	3.78	-76.39
CCC(C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030519288	0	54	0.0	-71.34	400.15	5.05	-66.29
C[NH+](C)CCCCC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030519326	0	57	0.0	-78.92	437.64	6.26	-72.66
CC(C)C(C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030519342	0	57	0.0	-72.75	411.41	5.77	-66.98
CCC[N@H+](C)CCC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030519343	0	57	0.0	-79.03	433.63	6.15	-72.88
CCC[N@@H+](C)CCC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030519343	1	57	0.0	-79.10	433.68	6.16	-72.94
CCC[N@H+](C)CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030519347	0	54	0.0	-76.28	411.26	5.55	-70.73
CCC[N@@H+](C)CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030519347	1	54	0.0	-74.23	411.54	5.48	-68.75
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C34CC[N@H+](C3)CCC4)CC2)C1	REAL300030519362	0	56	0.0	-75.45	406.36	4.93	-70.52
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C34CC[N@@H+](C3)CCC4)CC2)C1	REAL300030519362	1	56	0.0	-81.59	402.96	4.81	-76.78
CC1CC[NH+](CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030519395	0	58	0.0	-76.60	434.61	6.62	-69.98
C[NH+](C)CC1(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030519436	0	55	0.0	-76.82	420.41	5.70	-71.12
CC[N@H+](C)CCC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030519455	0	54	0.0	-78.19	412.38	5.34	-72.85
CC[N@@H+](C)CCC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030519455	1	54	0.0	-75.96	412.16	5.40	-70.56
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3C[NH+]4CCC3CC4)CC2)C1	REAL300030519473	0	56	0.0	-80.53	409.81	5.68	-74.85
C[NH+]1CCC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030519522	0	55	0.0	-80.60	416.39	5.64	-74.96
CC(C)[C@H](C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030519538	0	57	0.0	-72.15	415.53	5.61	-66.54
CC[NH+](CC)CC(F)C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030519598	0	57	0.0	-74.85	430.00	5.87	-68.98
C[NH+](C)C1(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CCC1	REAL300030519619	0	55	0.0	-74.61	396.67	4.96	-69.65
CCC(C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](CC)CC	REAL300030519647	0	60	0.0	-69.28	434.46	6.16	-63.12
CC1CCC[N@@H+]1CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030519658	0	55	0.0	-70.77	411.07	5.56	-65.21
CC1CCC[N@H+]1CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030519658	1	55	0.0	-70.71	410.98	5.43	-65.28
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030519704	0	58	0.0	-73.71	422.48	6.52	-67.19
CC(C)[N@H+]1CCCC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030519704	1	58	0.0	-71.36	422.92	6.51	-64.85
CC(C)[C@@H](C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030519713	0	57	0.0	-71.47	413.50	5.49	-65.98
CC1CC[N@H+](CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030519727	0	55	0.0	-75.44	418.32	5.90	-69.54
CC1CC[N@@H+](CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030519727	1	55	0.0	-73.39	418.34	5.91	-67.48
CC1(C)CC[N@H+](CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030519731	0	58	0.0	-75.64	437.53	6.42	-69.22
CC1(C)CC[N@@H+](CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030519731	1	58	0.0	-75.70	437.64	6.42	-69.28
C[N@H+](CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)CC(C)(C)C	REAL300030519732	0	60	0.0	-76.32	439.87	6.54	-69.78
C[N@@H+](CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)CC(C)(C)C	REAL300030519732	1	60	0.0	-75.98	441.82	6.69	-69.29
CC[C@@H](C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030519740	0	54	0.0	-70.66	396.65	4.86	-65.80
CC1=[NH+]C=CN1CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030519861	1	50	0.0	-70.88	401.71	5.68	-65.20
CC[N@@H+]1CCOC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030519925	1	56	0.0	-81.99	422.98	4.96	-77.03
CC[N@H+]1CCOC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030519925	1	56	0.0	-79.83	415.80	4.85	-74.98
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)CC2)C1	REAL300030519955	0	50	0.0	-75.18	407.05	7.53	-67.65
CC1=C[NH+]=CN1CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030519958	1	50	0.0	-75.68	402.04	6.41	-69.27
C[C@@H]1[C@H](C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@@H+]1C	REAL300030519965	0	55	0.0	-78.41	408.37	5.41	-73.00
C[C@@H]1[C@H](C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@H+]1C	REAL300030519965	1	55	0.0	-77.29	409.92	5.66	-71.63
CC[C@@H]1[C@@H](C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@@H+]1C	REAL300030519967	0	58	0.0	-75.47	429.65	5.81	-69.66
CC[C@@H]1[C@@H](C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@H+]1C	REAL300030519967	1	58	0.0	-75.51	430.73	5.94	-69.57
CC1CCC(C)[NH+]1CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030519974	0	58	0.0	-72.30	429.41	6.07	-66.23
O=C(CCC[NH+]1CCCC1)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030519977	0	58	0.0	-77.31	441.86	6.71	-70.60
O=C(CC[NH+]1CCCCC1)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030519981	0	58	0.0	-75.41	436.07	6.61	-68.80
CC[N@@H+]1CCCCC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030519984	0	58	0.0	-69.65	430.84	6.38	-63.27
CC[N@H+]1CCCCC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030519984	1	58	0.0	-69.22	430.50	6.41	-62.81
C[N@H+](CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCC1	REAL300030520082	0	55	0.0	-74.02	418.12	6.12	-67.90
C[N@@H+](CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCC1	REAL300030520082	1	55	0.0	-72.33	418.55	6.06	-66.27
C[NH+]1CCC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030520113	0	55	0.0	-80.60	416.39	5.64	-74.96
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520143	0	52	0.0	-72.16	390.75	4.71	-67.45
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520143	1	52	0.0	-73.16	393.80	4.93	-68.23
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520161	1	54	0.0	-71.51	417.64	5.92	-65.59
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520161	1	54	0.0	-74.09	424.13	6.32	-67.77
C[N@@H+]1CCCC1CCC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520166	0	58	0.0	-77.54	439.44	6.68	-70.86
C[N@H+]1CCCC1CCC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520166	1	58	0.0	-75.90	434.24	6.22	-69.68
C[N@@H+]1CCCCC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520240	0	55	0.0	-72.62	412.72	5.74	-66.88
C[N@H+]1CCCCC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520240	1	55	0.0	-73.48	401.40	5.19	-68.29
CC1C(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@@H+]1C	REAL300030520298	0	55	0.0	-76.87	417.13	5.53	-71.34
CC1C(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@H+]1C	REAL300030520298	1	55	0.0	-75.64	409.56	5.24	-70.40
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520354	0	58	0.0	-73.23	433.03	5.82	-67.41
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520354	1	58	0.0	-70.76	433.26	5.76	-65.00
C[C@@H](C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030520368	0	51	0.0	-72.51	389.03	4.47	-68.04
C=CCC(C)(C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030520382	0	58	0.0	-69.84	418.20	5.54	-64.30
O=C(CC[NH+]1CCCC1)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520399	0	55	0.0	-75.49	420.40	5.91	-69.58
C[N@H+](CCO)CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520408	1	52	0.0	-76.78	400.11	1.57	-75.21
C[N@@H+](CCO)CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520408	1	52	0.0	-74.40	400.19	1.50	-72.90
C[N@H+]1CC=C(CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030520466	0	56	0.0	-75.21	431.43	6.52	-68.69
C[N@@H+]1CC=C(CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030520466	1	56	0.0	-73.56	431.45	6.53	-67.03
C[S+](C)CCC(O)C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520476	0	54	0.0	-80.11	432.73	3.56	-76.55
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520489	0	56	0.0	-71.36	411.34	1.49	-69.87
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520489	1	56	0.0	-72.88	411.62	1.49	-71.39
CC1C[NH+](CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030520519	1	52	0.0	-74.30	403.63	5.25	-69.05
CC[N@@H+]1CCCC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030520525	0	58	0.0	-76.34	433.84	6.33	-70.01
CC[N@H+]1CCCC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030520525	1	58	0.0	-76.36	434.17	6.37	-69.99
NC1=[NH+]C=CC=C1CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520529	0	51	0.0	-70.61	406.57	3.92	-66.69
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3CCC[N@@H+]3C3CC3)CC2)C1	REAL300030520537	0	56	0.0	-73.90	424.03	6.11	-67.79
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3CCC[N@H+]3C3CC3)CC2)C1	REAL300030520537	1	56	0.0	-74.30	420.96	6.11	-68.19
O=C(C=CC[NH+]1CCCC1)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520567	0	56	0.0	-77.73	431.53	6.45	-71.28
CC[N@H+](C)CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520612	0	51	0.0	-75.91	389.76	4.81	-71.10
O=C(CN1CC2C=CC1C2)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520647	0	54	0.0	-72.31	411.10	5.94	-66.37
O=C(C[N@@H+]1CC2C=CC1C2)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520647	1	54	0.0	-72.28	411.49	6.11	-66.17
O=C(C[N@H+]1CC2C=CC1C2)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520647	1	54	0.0	-72.28	411.49	6.11	-66.17
CC(OCC[NH+](C)C)C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520734	0	58	0.0	-75.16	443.82	5.64	-69.52
C[NH+](C)CCOCCC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520741	0	58	0.0	-76.82	449.11	4.91	-71.91
COCCN(C)CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520743	0	55	0.0	-74.11	422.45	3.90	-70.21
COCC[N@H+](C)CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520743	1	55	0.0	-77.00	422.36	3.97	-73.03
COCC[N@@H+](C)CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520743	1	55	0.0	-77.00	422.36	3.97	-73.03
CC(CCC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030520746	0	57	0.0	-80.66	425.36	5.93	-74.73
CC[N@H+](CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC1	REAL300030520762	0	55	0.0	-71.16	418.45	6.16	-65.00
C[N@@H+]1CC2CC1(C(=O)N1CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC1)C2	REAL300030520789	0	53	0.0	-75.64	398.94	5.30	-70.34
O=C(C[N@@H+]1CC2CCC1C2)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520798	0	56	0.0	-73.12	416.75	6.07	-67.05
O=C(C[N@H+]1CC2CCC1C2)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520798	1	56	0.0	-73.12	416.75	6.07	-67.05
CC(C[NH+](C)C)C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520813	0	54	0.0	-78.12	409.96	5.16	-72.96
CC[N@@H+]1CCC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520850	0	52	0.0	-73.62	402.77	5.06	-68.56
CC[N@H+]1CCC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520850	1	52	0.0	-75.60	402.81	5.09	-70.51
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520861	0	60	0.0	-72.90	434.14	4.38	-68.52
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520888	1	54	0.0	-67.94	424.38	4.64	-63.30
NC1=CC=[NH+]C=C1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520889	0	48	0.0	-74.98	383.24	1.98	-73.00
CCCC(C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030520897	0	57	0.0	-72.27	421.65	5.81	-66.46
C[NH+](C)C(C)(C)C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520902	0	54	0.0	-76.87	392.10	4.57	-72.30
CC(CC[NH+](C)C)C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520916	0	57	0.0	-77.91	431.61	5.80	-72.11
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520978	0	58	0.0	-72.34	438.42	6.16	-66.18
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520978	1	58	0.0	-77.21	429.96	6.41	-70.80
C[NH+](C)CCCCCC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520980	0	60	0.0	-78.09	459.14	7.04	-71.05
C[NH+]1CCN(CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030520987	1	57	0.0	-74.94	431.34	3.56	-71.38
CC1C[N@H+](C)CC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)O1	REAL300030521040	1	56	0.0	-84.67	419.40	5.12	-79.55
CC1C[N@@H+](C)CC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)O1	REAL300030521040	1	56	0.0	-81.59	419.47	4.88	-76.71
O=C(C[NH+]1CC2CC2C1)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030521071	0	53	0.0	-74.06	407.79	5.96	-68.10
C[N@@H+]1CCCCC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030521098	0	55	0.0	-72.62	412.72	5.74	-66.88
C[N@H+]1CCCCC1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030521098	1	55	0.0	-73.48	401.40	5.19	-68.29
C[N@@H+]1CCC(=CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030521172	0	53	0.0	-79.84	410.17	5.61	-74.23
C[N@H+]1CCC(=CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030521172	1	53	0.0	-78.24	408.98	5.76	-72.48
O=C(CNC1=CC=[NH+]C=C1)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030521175	0	51	0.0	-76.51	407.75	3.40	-73.11
C[NH+](C)C1(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CCCC1	REAL300030521238	0	58	0.0	-71.09	406.50	5.39	-65.70
CCC1C[NH+](CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030521247	0	55	0.0	-75.20	424.78	5.98	-69.22
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030521257	0	52	0.0	-73.62	397.66	4.97	-68.65
C[N@H+]1CCC[C@H]1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030521257	1	52	0.0	-75.29	390.74	4.59	-70.70
NC1=CC=C(CCC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C=[NH+]1	REAL300030521301	0	54	0.0	-72.95	431.08	4.68	-68.27
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030521352	0	55	0.0	-74.99	421.00	5.85	-69.14
C[NH+](C)CCC1(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030521361	0	58	0.0	-79.17	443.27	6.40	-72.77
C[N@@H+]1CC=CCC1CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030521362	0	56	0.0	-80.08	423.15	6.26	-73.82
C[N@H+]1CC=CCC1CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030521362	1	56	0.0	-68.05	418.49	6.12	-61.93
C[NH+](C)CCOCC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030521398	0	55	0.0	-76.05	428.16	5.21	-70.84
[NH2+]=C1SC=CN1CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030521426	0	48	0.0	-70.68	399.38	4.25	-66.43
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030521468	0	58	0.0	-72.57	443.54	5.61	-66.96
C[N@@H+]1CCCC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030521498	0	55	0.0	-74.16	408.27	5.83	-68.33
C[N@H+]1CCCC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030521498	1	55	0.0	-74.16	408.27	5.83	-68.33
O=C(C[NH+]1CCCCCC1)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030521499	0	58	0.0	-73.31	423.15	6.18	-67.13
CN1C=C[N+](CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=C1	REAL300030521503	0	50	0.0	-73.77	403.27	7.65	-66.12
C[N@H+](CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC1	REAL300030521528	0	52	0.0	-73.78	401.70	5.48	-68.30
O=C(CC[N@H+]1CCC(F)C1)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030521531	0	55	0.0	-82.71	426.61	5.91	-76.80
CC(CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C[NH+](C)C	REAL300030521552	0	57	0.0	-78.32	429.47	6.13	-72.19
CN1CCOCC1CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030521571	0	56	0.0	-83.04	422.56	4.00	-79.04
C[N@@H+]1CCOCC1CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030521571	1	56	0.0	-70.78	415.49	3.88	-66.90
C[N@H+]1CCOCC1CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030521571	1	56	0.0	-70.78	415.49	3.88	-66.90
CC1=CC(N)=NC=C1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030521611	0	51	0.0	-74.61	403.27	3.42	-71.19
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030521611	1	51	0.0	-74.61	403.27	3.42	-71.19
CC1(O)CC[N@H+](CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030521641	0	56	0.0	-73.17	427.93	2.55	-70.62
C[NH+]1CC(CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030521669	0	52	0.0	-77.71	403.57	4.94	-72.77
C[N@H+](CCO)CCC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030521699	0	55	0.0	-77.53	422.43	2.19	-75.34
C[N@@H+](CCO)CCC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030521699	1	55	0.0	-77.53	422.43	2.19	-75.34
C[N@@H+]1CCCCC1CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030521717	0	58	0.0	-69.84	424.07	6.27	-63.57
C[N@H+]1CCCCC1CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030521717	1	58	0.0	-69.84	424.07	6.27	-63.57
CC1CC[N@@H+]1CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030521732	0	52	0.0	-73.95	398.68	5.05	-68.90
C[NH+](C)CC=CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030521740	0	52	0.0	-78.58	407.18	5.29	-73.29
CC1(C)CN(CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030521746	0	55	0.0	-74.29	422.94	5.79	-68.50
CC1(C)C[NH+](CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030521746	1	55	0.0	-74.29	422.94	5.79	-68.50
C[NH+](C)CCSCC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030521768	0	55	0.0	-81.99	439.18	6.09	-75.90
O=C(C[N@H+]1CCCC1CO)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030521787	0	56	0.0	-75.25	425.21	2.76	-72.49
CC[NH+](CC)CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030521791	0	54	0.0	-74.27	408.27	5.42	-68.85
O=C(CN1CCC1)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030521800	0	49	0.0	-74.36	382.45	4.59	-69.77
O=C(C[NH+]1CCC1)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030521800	1	49	0.0	-74.36	382.45	4.59	-69.77
CC[NH+](CC)CCC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030521831	0	57	0.0	-77.27	430.24	6.03	-71.24
CC(C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+]1CCC1	REAL300030521890	0	52	0.0	-74.21	400.98	5.01	-69.20
CCC(CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C[NH+](C)C	REAL300030521895	0	60	0.0	-78.77	443.32	6.60	-72.17
NC1=CC=C(C=CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C=[NH+]1	REAL300030521900	0	52	0.0	-80.26	418.56	4.30	-75.96
C[NH+](C)CC(C)(C)C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030521901	0	57	0.0	-77.01	403.25	5.51	-71.50
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030521938	0	55	0.0	-75.96	404.96	5.39	-70.57
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030521938	1	55	0.0	-72.70	412.54	5.72	-66.98
C[NH+](C)CC(O)CC(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030521962	0	55	0.0	-81.64	424.89	3.15	-78.49
C=CCC(C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030521984	0	55	0.0	-72.45	415.81	5.70	-66.75
C[NH+]1CCC(C)(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030521997	0	58	0.0	-74.96	419.95	5.54	-69.42
C[NH+](C)CCSCC(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030522060	0	55	0.0	-82.62	438.07	5.99	-76.63
C[N@@H+]1CCCC1C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030522223	0	49	0.0	-63.68	368.69	1.22	-62.46
C[N@H+]1CCCC1C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030522223	1	49	0.0	-70.12	367.50	1.18	-68.94
C[N@@H+]1CCOC(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030522247	1	50	0.0	-82.30	386.13	1.14	-81.16
C[N@H+]1CCOC(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030522247	1	50	0.0	-59.68	377.74	0.92	-58.76
CC(C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300030522405	0	58	0.0	-66.28	412.02	3.31	-62.97
CC(C)[N@@H+]1CCCCC1C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030522407	0	58	0.0	-60.90	421.76	3.17	-57.73
CC(C)[N@H+]1CCCCC1C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030522407	1	58	0.0	-64.16	414.39	3.19	-60.97
CC(C)[N@@H+]1CCCC1C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030522427	0	55	0.0	-67.23	400.69	2.86	-64.37
CC(C)[N@H+]1CCCC1C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030522427	1	55	0.0	-63.88	407.63	2.79	-61.09
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@@H+]2C1	REAL300030522443	0	56	0.0	-67.23	414.74	3.37	-63.86
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@H+]2C1	REAL300030522443	1	56	0.0	-73.71	416.19	3.39	-70.32
CC(C)C1=[NH+]C=CN1CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030522461	1	53	0.0	-63.47	413.06	3.37	-60.10
CC1=[NH+]C=CN1CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030522488	1	47	0.0	-66.62	378.17	2.30	-64.32
CC(C[NH+]1CCOCC1)C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030522489	0	56	0.0	-71.23	420.06	1.41	-69.82
O=C(CCC[NH+]1CCCCC1)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030522504	0	58	0.0	-71.53	433.78	3.89	-67.64
CC(C)(C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300030522521	0	58	0.0	-63.76	416.76	3.61	-60.15
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+]2CCC1CC2	REAL300030522529	0	53	0.0	-79.27	390.07	2.48	-76.79
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC2CCC[N@@H+]21	REAL300030522568	0	56	0.0	-65.95	404.85	3.25	-62.70
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC2CCC[N@H+]21	REAL300030522568	1	56	0.0	-61.63	412.03	3.47	-58.16
C[C@@H]1[C@H](C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030522581	0	52	0.0	-67.59	384.94	1.88	-65.71
C[C@@H]1[C@H](C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030522581	1	52	0.0	-72.99	390.76	2.17	-70.82
CC[C@@H]1[C@@H](C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030522585	0	55	0.0	-73.08	405.08	2.34	-70.74
CC[C@@H]1[C@@H](C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030522585	1	55	0.0	-68.76	411.03	2.70	-66.06
CC[N@@H+]1CCOC(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030522594	1	53	0.0	-80.31	403.88	1.79	-78.52
CC[N@H+]1CCOC(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030522594	1	53	0.0	-76.93	396.80	1.63	-75.30
CC[NH+](CC)CC(F)C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030522635	0	54	0.0	-72.61	407.56	2.40	-70.21
CC1CCC(C)[NH+]1CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030522695	0	55	0.0	-64.67	406.39	2.73	-61.94
O=C(CCC[NH+]1CCCC1)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030522701	0	55	0.0	-71.45	418.56	3.22	-68.23
C#CC[NH+]1CCC(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030522706	0	54	0.0	-75.99	418.01	3.48	-72.51
O=C(CC[NH+]1CCCCC1)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030522707	0	55	0.0	-69.94	412.73	3.11	-66.83
CC[N@@H+]1CCCCC1C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030522712	0	55	0.0	-60.48	407.45	2.85	-57.63
CC[N@H+]1CCCCC1C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030522712	1	55	0.0	-63.64	398.94	2.77	-60.87
CC(C)C[N@@H+]1CCC(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030522726	0	58	0.0	-68.32	433.49	3.67	-64.65
CC(C)C[N@H+]1CCC(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030522726	1	58	0.0	-70.11	434.38	3.65	-66.46
C[NH+](C)C1(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300030522729	0	52	0.0	-63.46	382.40	2.29	-61.17
CC(C)[N@@H+]1CCCC1CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030522731	0	58	0.0	-58.43	417.77	3.23	-55.20
CC(C)[N@H+]1CCCC1CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030522731	1	58	0.0	-64.00	417.77	3.22	-60.78
CC(C)[C@@H](C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030522743	0	54	0.0	-70.55	396.07	2.71	-67.84
C[N@H+](CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030522784	0	52	0.0	-66.33	394.95	2.67	-63.66
C[N@@H+](CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030522784	1	52	0.0	-65.54	394.86	2.66	-62.88
CC(C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300030522837	0	58	0.0	-62.01	419.19	3.08	-58.93
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030522891	1	51	0.0	-61.97	393.98	2.41	-59.56
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030522891	1	51	0.0	-66.34	399.98	2.93	-63.41
C[N@@H+]1CCCC1CCC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030522896	0	55	0.0	-73.96	414.79	3.13	-70.83
C[N@H+]1CCCC1CCC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030522896	1	55	0.0	-69.82	410.63	2.73	-67.09
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[NH+](CCC1)C2	REAL300030522905	0	56	0.0	-71.28	404.82	2.83	-68.45
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC2CCCC[N@@H+]21	REAL300030522908	0	56	0.0	-66.63	409.50	3.14	-63.49
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC2CCCC[N@H+]21	REAL300030522908	1	56	0.0	-61.88	415.14	3.55	-58.33
O=C(CCCC[NH+]1CCCC1)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030522924	0	58	0.0	-72.72	440.06	4.00	-68.72
C[NH+]1CCC(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030522935	0	52	0.0	-76.34	393.32	2.34	-74.00
C[NH+](C)CC1=CC(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300030522967	1	51	0.0	-78.83	405.39	1.59	-77.24
CC1=C(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300030522968	0	50	0.0	-76.32	399.92	4.25	-72.07
C[N@@H+]1CCCCC1C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030522995	0	52	0.0	-67.57	389.79	2.21	-65.36
C[N@H+]1CCCCC1C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030522995	1	52	0.0	-68.30	380.08	2.05	-66.25
CC(C)C[N@@H+]1CCCC1C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030523015	0	58	0.0	-65.36	433.59	3.87	-61.49
CC(C)C[N@H+]1CCCC1C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030523015	1	58	0.0	-64.87	433.54	3.89	-60.98
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN2C=[NH+]C=C2C=C1	REAL300030523109	0	47	0.0	-72.03	378.91	4.18	-67.85
CC1=[NH+]C=CN1CCCC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030523117	1	53	0.0	-69.79	419.70	3.58	-66.21
O=C(CC[NH+]1CCOCC1)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030523121	1	53	0.0	-72.88	404.00	0.70	-72.18
CC1=C[NH+]=CN1CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030523148	1	47	0.0	-66.45	378.50	3.03	-63.42
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[NH+]1CCC2	REAL300030523184	0	53	0.0	-64.67	392.08	2.63	-62.04
C[NH+](C)C1CCCC(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030523206	0	58	0.0	-65.54	419.70	3.31	-62.23
C[N@@H+]1CCC(CC(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030523209	0	52	0.0	-71.75	393.96	2.20	-69.55
C[N@H+]1CCC(CC(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030523209	1	52	0.0	-72.07	395.10	2.29	-69.78
CN(C)C1=CC=[NH+]C=C1C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030523220	0	51	0.0	-75.74	399.45	1.48	-74.26
CCC(C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030523225	0	51	0.0	-67.70	378.60	1.70	-66.00
C[NH+](C)C1(CC(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030523236	0	58	0.0	-72.04	411.15	3.06	-68.98
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC2=C[NH+]=CN2C=C1	REAL300030523272	1	47	0.0	-76.43	379.18	4.18	-72.25
C[NH+](C)CCCCC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030523318	0	54	0.0	-74.35	414.10	2.83	-71.52
CC(C)C(C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030523337	0	54	0.0	-69.85	398.58	2.83	-67.02
CCC[N@H+](C)CCC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030523339	0	54	0.0	-71.34	410.33	2.64	-68.70
CCC[N@@H+](C)CCC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030523339	1	54	0.0	-71.60	410.33	2.64	-68.96
CCC[N@H+](C)CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030523344	0	51	0.0	-68.05	387.97	2.09	-65.96
CCC[N@@H+](C)CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030523344	1	51	0.0	-67.77	387.97	2.10	-65.67
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@H+](C1)CCC2	REAL300030523365	0	53	0.0	-70.55	391.12	1.91	-68.64
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@@H+](C1)CCC2	REAL300030523365	1	53	0.0	-70.57	390.68	1.89	-68.68
C[N@@H+]1CCC[C@@H]1C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030523398	0	49	0.0	-70.50	368.67	1.24	-69.26
C[N@H+]1CCC[C@@H]1C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030523398	1	49	0.0	-65.80	374.62	1.74	-64.06
CCCCCC[N@H+](C)CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030523447	0	60	0.0	-69.04	452.46	4.44	-64.60
CCCCCC[N@@H+](C)CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030523447	1	60	0.0	-68.89	452.46	4.44	-64.45
CC[NH+](CC)C(C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300030523451	0	60	0.0	-63.82	430.22	4.00	-59.82
CC[NH+](CC)CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030523459	0	51	0.0	-67.06	384.48	2.02	-65.04
CCC[N@@H+]1CCCC(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030523490	0	58	0.0	-68.26	431.20	3.66	-64.60
CCC[N@H+]1CCCC(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030523490	1	58	0.0	-68.89	432.46	3.71	-65.18
CC(C)[N@@H+]1CCOC(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030523505	0	56	0.0	-74.33	412.25	2.07	-72.26
CC(C)[N@H+]1CCOC(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030523505	1	56	0.0	-74.71	413.57	2.15	-72.56
CC1CC[NH+](CC(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030523533	0	55	0.0	-67.39	410.19	3.13	-64.26
C[NH+]1CCC(OCC(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030523558	0	56	0.0	-79.00	428.68	2.78	-76.22
C[NH+](C)CC1(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030523568	0	52	0.0	-76.00	399.45	2.37	-73.63
CC(C)[NH+]1CCC(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030523636	0	58	0.0	-73.41	423.94	3.30	-70.11
C[NH+]1CCC(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030523653	0	52	0.0	-76.34	393.32	2.34	-74.00
CC(C)[C@H](C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030523671	0	54	0.0	-70.24	399.38	2.76	-67.48
CCC(C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030523701	0	57	0.0	-62.63	410.45	2.84	-59.79
CC[N@H+](C)CCC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030523755	0	51	0.0	-70.79	388.83	1.90	-68.89
CC[N@@H+](C)CCC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030523755	1	51	0.0	-70.93	388.83	1.90	-69.03
CC1CCC[N@@H+]1CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030523806	0	52	0.0	-64.05	393.48	2.30	-61.75
CC1CCC[N@H+]1CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030523806	1	52	0.0	-64.89	393.88	2.46	-62.43
CC1CC[N@H+](CC(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030523808	0	52	0.0	-66.85	394.79	2.44	-64.41
CC1CC[N@@H+](CC(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030523808	1	52	0.0	-67.36	394.72	2.42	-64.94
CC1(C)CC[N@H+](CC(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030523812	0	55	0.0	-66.23	412.69	2.87	-63.36
CC1(C)CC[N@@H+](CC(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030523812	1	55	0.0	-67.28	414.36	2.95	-64.33
C[N@H+](CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030523813	0	57	0.0	-67.58	417.00	3.16	-64.42
C[N@@H+](CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030523813	1	57	0.0	-66.71	418.23	3.24	-63.47
CC[C@@H](C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030523821	0	51	0.0	-64.48	377.46	1.79	-62.69
C[NH+]1CCC(O)(CC(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030523970	0	56	0.0	-72.00	416.36	1.07	-70.93
C[NH+](C)CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030523981	0	45	0.0	-68.55	348.73	0.68	-67.87
O=C(C[NH+]1CCC(CO)CC1)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030523985	1	56	0.0	-69.27	422.14	-0.13	-69.40
O=C(C[NH+]1CCCCCC1)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030523986	0	55	0.0	-66.29	400.06	2.73	-63.56
CN1C=C[N+](CC(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030523990	0	47	0.0	-67.84	379.96	4.19	-63.65
C[N@@H+]1CCCC(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030523997	0	52	0.0	-61.48	385.78	2.46	-59.02
C[N@H+]1CCCC(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030523997	1	52	0.0	-64.96	385.81	2.45	-62.51
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@@H+]1C1CC1	REAL300030524002	0	53	0.0	-63.44	406.24	3.22	-60.22
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@H+]1C1CC1	REAL300030524002	1	53	0.0	-63.23	399.84	2.98	-60.25
CC(C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030524026	1	49	0.0	-65.29	377.10	1.71	-63.58
CCC(CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030524030	0	57	0.0	-75.16	419.67	3.21	-71.95
C[NH+](C)CC(C)(C)C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524037	0	54	0.0	-71.45	395.85	2.30	-69.15
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC(C1)C[N@@H+]2C1CC1	REAL300030524053	0	54	0.0	-65.18	406.83	3.41	-61.77
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC(C1)C[N@H+]2C1CC1	REAL300030524053	1	54	0.0	-66.51	405.85	3.81	-62.70
O=C(C[NH+]1CCC(O)CC1)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524061	1	53	0.0	-71.17	400.69	-0.84	-72.01
C[N@H+](CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030524062	0	49	0.0	-65.47	378.00	2.09	-63.38
C[N@@H+](CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030524062	1	49	0.0	-64.84	378.01	2.09	-62.75
CC(C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300030524063	1	57	0.0	-72.45	418.26	0.44	-72.01
C[NH+]1CC(CC(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030524081	0	49	0.0	-69.54	380.17	1.51	-68.03
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+]1C1CCCC1	REAL300030524085	0	56	0.0	-67.61	414.10	3.09	-64.52
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+]1C1CCCC1	REAL300030524085	1	56	0.0	-66.82	418.08	3.43	-63.39
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524093	0	55	0.0	-66.13	409.87	2.40	-63.73
CC(C)(C)[N@H+]1CCC1C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524093	1	55	0.0	-63.31	391.84	2.20	-61.11
C[C@@H](C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030524104	0	48	0.0	-67.85	365.34	1.06	-66.79
CCC1CCC[N@H+](CC(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030524139	0	58	0.0	-66.78	421.45	3.71	-63.07
CCC1CCC[N@@H+](CC(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030524139	1	58	0.0	-67.70	422.67	3.77	-63.93
C[NH+](C)CC1=CC=C(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030524146	0	53	0.0	-78.91	415.57	1.85	-77.06
[NH2+]=C1SC=CN1CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524187	0	45	0.0	-61.69	374.48	0.82	-60.87
C[N@H+](CCO)CCC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524197	0	52	0.0	-71.64	399.19	-1.33	-72.97
C[N@@H+](CCO)CCC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524197	1	52	0.0	-69.77	399.02	-1.31	-71.08
C[C@@H](C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030524198	0	48	0.0	-67.85	365.34	1.06	-66.79
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524202	0	52	0.0	-64.16	380.09	2.05	-62.11
C[N@H+]1CCCC[C@@H]1C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524202	1	52	0.0	-67.68	390.73	2.28	-65.40
CC1CN2CC[N@@H+]1CC2C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524210	0	55	0.0	-68.19	401.65	-0.32	-68.51
CC1CN2CC[N@H+]1CC2C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524210	1	55	0.0	-68.59	400.12	-0.54	-69.13
O=C(CC1=CC2=C[NH+]=CN2C=C1)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524251	0	50	0.0	-71.22	403.13	4.87	-66.35
C[N@H+](CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300030524273	0	53	0.0	-72.73	408.08	2.93	-69.80
C[N@@H+](CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300030524273	1	53	0.0	-71.96	408.06	2.91	-69.05
O=C(C[NH+]1CCC1)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524274	1	46	0.0	-67.32	357.41	1.06	-66.26
C[N@@H+]1CCC(=CC(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030524302	0	50	0.0	-75.08	386.61	2.24	-72.84
C[N@H+]1CCC(=CC(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030524302	1	50	0.0	-75.05	386.61	2.25	-72.80
C[NH+](C)CCOCC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524335	0	52	0.0	-72.66	404.44	1.74	-70.92
CCCCC[N@H+](C)CCC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524340	0	60	0.0	-71.75	452.00	4.17	-67.58
CCCCC[N@@H+](C)CCC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524340	1	60	0.0	-72.38	453.33	4.20	-68.18
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030524349	0	56	0.0	-72.67	426.43	2.61	-70.06
C=CCC(C)(C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030524356	0	55	0.0	-64.59	400.24	2.51	-62.08
C[S+](C)CCC(O)C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524360	0	51	0.0	-68.58	413.57	0.34	-68.24
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524385	0	53	0.0	-76.73	394.35	-0.94	-77.67
CN1CC[N@H+](C)CC(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030524395	0	57	0.0	-68.04	417.82	0.77	-67.27
CN1CC[N@@H+](C)CC(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030524395	1	57	0.0	-68.04	417.82	0.77	-67.27
CC(C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300030524396	0	56	0.0	-62.49	417.92	-0.44	-62.93
O=C(CN1CCC(CO)CC1)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524405	0	56	0.0	-69.27	422.14	-0.13	-69.40
O=C(C[NH+]1CCC(CO)CC1)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524405	1	56	0.0	-69.27	422.14	-0.13	-69.40
C[N@@H+]1CCCC(O)(CC(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030524414	0	56	0.0	-68.75	417.75	0.97	-67.78
C[N@H+]1CCCC(O)(CC(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030524414	1	56	0.0	-68.75	417.75	0.97	-67.78
CC1CN(CC(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030524417	0	49	0.0	-68.06	379.99	1.78	-66.28
CC1C[NH+](CC(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030524417	1	49	0.0	-68.06	379.99	1.78	-66.28
CN(CCO)CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524443	0	49	0.0	-67.95	376.82	-1.89	-69.84
C[N@H+](CCO)CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524443	1	49	0.0	-69.09	376.88	-1.90	-70.99
C[N@@H+](CCO)CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524443	1	49	0.0	-69.09	376.88	-1.90	-70.99
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[N@@H+]2CCN1CCC2	REAL300030524465	0	55	0.0	-79.66	395.56	-0.06	-79.72
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[N@H+]2CCN1CCC2	REAL300030524465	1	55	0.0	-79.66	395.56	-0.06	-79.72
CC[N@@H+]1CCCC(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030524471	0	55	0.0	-61.90	404.72	3.16	-58.74
CC[N@H+]1CCCC(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030524471	1	55	0.0	-61.90	404.72	3.16	-58.74
CC(CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030524473	0	54	0.0	-77.25	405.77	2.67	-74.58
CC[N@H+](C)CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524483	0	48	0.0	-67.61	366.47	1.36	-66.25
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@@H+]1CCCC2	REAL300030524504	0	56	0.0	-64.39	402.90	3.25	-61.14
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@H+]1CCCC2	REAL300030524504	1	56	0.0	-64.39	402.90	3.25	-61.14
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@@H+]1CC=CC2	REAL300030524509	0	54	0.0	-62.25	393.52	3.59	-58.66
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@H+]1CC=CC2	REAL300030524509	1	54	0.0	-62.25	393.52	3.59	-58.66
CC[N@H+](CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030524529	0	52	0.0	-65.54	394.72	2.64	-62.90
CC[NH+](CC)CCC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524544	0	54	0.0	-70.55	402.34	2.33	-68.22
CC1(C)CN(CC(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030524564	0	52	0.0	-67.94	399.34	2.30	-65.64
CC1(C)C[NH+](CC(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030524564	1	52	0.0	-67.94	399.34	2.30	-65.64
CC1(O)CC[N@H+](CC(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030524588	0	53	0.0	-67.21	405.25	-0.89	-68.10
C[NH+](C)CC=CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524595	0	49	0.0	-73.77	385.96	1.93	-71.84
CC(OCC[NH+](C)C)C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524614	0	55	0.0	-72.05	424.23	2.42	-69.63
C[NH+](C)CCOCCC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524622	0	55	0.0	-70.85	425.56	1.48	-69.37
COCCN(C)CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524623	0	52	0.0	-69.32	399.13	0.50	-68.82
COCC[N@H+](C)CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524623	1	52	0.0	-67.94	399.07	0.52	-67.42
COCC[N@@H+](C)CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524623	1	52	0.0	-67.94	399.07	0.52	-67.42
C[NH+](C)C1(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030524652	0	55	0.0	-76.46	397.59	3.20	-73.26
CC(CCC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030524655	0	54	0.0	-70.90	401.66	2.42	-68.48
CCN1CCC1C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524662	0	49	0.0	-65.43	373.51	1.41	-64.02
CC[N@@H+]1CCC1C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524662	1	49	0.0	-66.65	379.14	1.66	-64.99
CC[N@H+]1CCC1C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524662	1	49	0.0	-66.65	379.14	1.66	-64.99
CC(C)[N@@H+]1CCCC(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030524672	0	58	0.0	-67.54	427.60	3.49	-64.05
CC(C)[N@H+]1CCCC(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030524672	1	58	0.0	-67.54	427.60	3.49	-64.05
O=C(C[N@H+]1CCCC1CO)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524684	0	53	0.0	-66.68	400.65	-0.76	-67.44
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@@H+]2C1	REAL300030524706	0	56	0.0	-73.71	416.19	3.39	-70.32
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@H+]2C1	REAL300030524706	1	56	0.0	-73.71	416.19	3.39	-70.32
C[NH+]1CCC(C)(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030524712	0	55	0.0	-74.54	405.96	2.76	-71.78
C=CCC(C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030524739	0	52	0.0	-67.85	392.07	2.21	-65.64
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524749	0	55	0.0	-70.41	409.13	2.27	-68.14
C[NH+](C)CCCCCC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524752	0	57	0.0	-74.48	435.59	3.61	-70.87
CC1C[N@@H+]2CCN1C(C(=O)NCC1COCCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030524785	0	55	0.0	-67.91	400.59	-0.35	-68.26
CCCC(C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030524786	0	54	0.0	-64.06	400.78	2.47	-61.59
C[NH+](C)C(C)(C)C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524790	0	51	0.0	-65.34	376.56	1.82	-63.52
C[N@@H+]1CCCCC1C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524828	0	52	0.0	-68.30	380.08	2.05	-66.25
C[N@H+]1CC=C(CC(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030524861	0	53	0.0	-70.86	406.56	2.96	-67.90
C[N@@H+]1CC=C(CC(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030524861	1	53	0.0	-68.95	406.56	2.96	-65.99
O=C(CC1([NH+]2CCCC2)CC1)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524870	0	56	0.0	-66.54	413.31	3.36	-63.18
C[NH+](C)CC1=CC=C(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030524912	1	52	0.0	-75.72	411.85	2.44	-73.28
O=C(C=CC[NH+]1CCCC1)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524928	0	53	0.0	-72.70	411.03	3.09	-69.61
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[NH+](C2CC2)CC1	REAL300030524948	0	56	0.0	-73.47	418.15	3.55	-69.92
C[NH+](C)C1(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030524966	0	49	0.0	-65.06	375.74	1.34	-63.72
O=C(CC[NH+]1CCCC1)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524968	0	52	0.0	-70.21	397.06	2.42	-67.79
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+]2CCN1CC2	REAL300030525001	0	52	0.0	-80.10	384.99	-0.89	-80.99
C[N@@H+]1CC2CC1(C(=O)NCC1COCCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030525010	0	50	0.0	-71.49	379.43	1.80	-69.69
C[N@H+]1CC2CC1(C(=O)NCC1COCCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030525010	1	50	0.0	-64.78	378.69	1.65	-63.13
O=C(C[N@@H+]1CC2CCC1C2)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030525022	0	53	0.0	-64.72	394.17	2.74	-61.98
O=C(C[N@H+]1CC2CCC1C2)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030525022	1	53	0.0	-65.49	395.12	2.78	-62.71
O=C(C=C1C[NH+]2CCC1CC2)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030525059	0	54	0.0	-67.34	403.55	3.02	-64.32
O=C(C[N@@H+]1CC2C=CC1C2)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030525069	1	51	0.0	-65.20	386.56	2.59	-62.61
O=C(C[N@H+]1CC2C=CC1C2)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030525069	1	51	0.0	-62.93	386.47	2.49	-60.44
CC[NH+]1CCN(CC(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030525098	0	57	0.0	-67.76	424.65	0.83	-66.93
CC(C[NH+](C)C)C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030525114	0	51	0.0	-71.90	387.14	1.95	-69.95
C[N@@H+]1CCCCC1CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030525179	0	55	0.0	-64.89	399.20	2.70	-62.19
C[N@H+]1CCCCC1CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030525179	1	55	0.0	-71.29	407.87	2.88	-68.41
CC1=C2C=C(C(=O)NCC3COCCN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030525195	1	50	0.0	-74.41	401.09	4.75	-69.66
CC(C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300030525196	1	52	0.0	-66.22	397.46	2.35	-63.87
CC1CC[N@@H+]1CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030525199	1	49	0.0	-66.27	374.50	1.50	-64.77
CC1CC[N@H+]1CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030525199	1	49	0.0	-65.41	378.71	1.70	-63.71
C[NH+](C)CC(O)CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030525202	0	52	0.0	-75.56	401.31	-0.25	-75.81
CC1C[N@H+](C)CC(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030525228	1	53	0.0	-59.71	398.88	1.66	-58.05
CC1C[N@@H+](C)CC(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030525228	1	53	0.0	-83.03	407.28	1.86	-81.17
O=C(CC[NH+]1CCC(O)CC1)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030525237	0	56	0.0	-73.88	423.37	-0.26	-74.14
CCC[N@@H+]1CCCCC1C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030525239	0	58	0.0	-63.96	421.03	3.46	-60.50
CCC[N@H+]1CCCCC1C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030525239	1	58	0.0	-61.44	428.91	3.61	-57.83
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030525303	0	52	0.0	-67.81	398.28	2.41	-65.40
CC(CC[NH+](C)C)C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030525311	0	54	0.0	-72.02	408.77	2.56	-69.46
C[N@H+](CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300030525331	0	56	0.0	-62.94	417.95	0.03	-62.91
C[N@@H+](CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300030525331	1	56	0.0	-65.44	418.44	-0.15	-65.59
C#CC[N@H+]1CCCCC1C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030525337	1	54	0.0	-66.01	414.66	3.41	-62.60
C#CC[N@@H+]1CCCCC1C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030525337	1	54	0.0	-66.87	405.15	3.27	-63.60
C[NH+]1CCN(CC(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030525340	1	54	0.0	-72.93	406.33	0.13	-72.80
CC[NH+]1CCN(CC(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030525349	0	57	0.0	-67.76	424.65	0.83	-66.93
NC(=[NH2+])SCC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030525372	0	43	0.0	-71.53	357.26	-2.44	-73.97
CC[N@@H+]1CCOCC1CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030525405	0	56	0.0	-73.03	415.70	1.10	-71.93
C[NH+](C)C1CCC(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030525420	0	58	0.0	-58.66	421.03	3.38	-55.28
C[NH+](C)CCC1(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030525421	0	55	0.0	-62.48	421.38	3.13	-59.35
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030525423	0	58	0.0	-57.81	419.75	3.32	-54.49
C[N@@H+]1CC=CCC1CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030525424	0	53	0.0	-58.30	393.63	2.63	-55.67
C[N@H+]1CC=CCC1CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030525424	1	53	0.0	-58.30	393.63	2.63	-55.67
C[C@@H](OCC[NH+](C)C)C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030525445	0	55	0.0	-65.68	422.98	2.37	-63.31
C[NH+]1C2CCC1CC(C(=O)NCC1COCCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030525470	0	56	0.0	-63.37	391.62	3.11	-60.26
CC(C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300030525568	1	53	0.0	-69.39	407.86	2.67	-66.72
CCC1C[NH+](CC(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030525570	1	52	0.0	-68.23	399.98	2.49	-65.74
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1([NH+]2CCCC2)CCC1	REAL300030525572	0	56	0.0	-69.72	408.48	3.37	-66.35
C[N@H+]1CCC[C@H]1C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030525579	1	49	0.0	-62.65	367.38	1.16	-61.49
O=C(CC[N@@H+]1CCC(F)C1)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030525586	1	52	0.0	-74.76	402.75	2.45	-72.31
COC1C[N@@H+](C)C(C)(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030525594	1	56	0.0	-66.15	416.79	1.35	-64.80
O=C(CC[NH+]1CCCCCC1)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030525602	0	58	0.0	-71.21	422.75	3.31	-67.90
O=C(C[NH+]1CCCCC1)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030525604	0	52	0.0	-66.60	389.72	2.55	-64.05
CC1C(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030525614	0	52	0.0	-70.69	388.75	1.85	-68.84
CC1C(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030525614	1	52	0.0	-74.01	386.16	1.94	-72.07
C[N@@H+]1CCCCC1CCC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030525616	0	58	0.0	-68.94	430.12	3.59	-65.35
C[N@H+]1CCCCC1CCC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030525616	1	58	0.0	-70.72	429.37	3.59	-67.13
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+]2CCOCC12	REAL300030525638	0	54	0.0	-64.90	402.38	0.92	-63.98
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+]2CCOCC12	REAL300030525638	1	54	0.0	-65.26	403.86	0.99	-64.27
CC1=[NH+]C=C2C=CC(C(=O)NCC3COCCN(C(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300030525643	0	50	0.0	-68.32	400.32	3.96	-64.36
CN1CCOCC1CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030525656	0	53	0.0	-68.53	391.84	0.36	-68.17
C[N@@H+]1CCOCC1CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030525656	1	53	0.0	-61.10	391.83	0.36	-60.74
C[N@H+]1CCOCC1CC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030525656	1	53	0.0	-68.53	391.84	0.36	-68.17
CC1=C(C)[NH+]=C(CCC(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030525663	1	53	0.0	-65.54	418.97	1.97	-63.57
C[N@H+]1CCCC1C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030525833	1	49	0.0	-68.18	377.05	1.71	-66.47
C[N@@H+]1CCOC(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030525859	1	50	0.0	-68.18	378.45	0.92	-67.26
C[N@H+]1CCOC(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030525859	1	50	0.0	-80.89	386.27	1.08	-79.81
CC1=[NH+]C=CN1CCCC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030526018	1	53	0.0	-68.82	423.09	3.76	-65.06
O=C(CC[NH+]1CCOCC1)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030526022	1	53	0.0	-75.76	407.39	0.85	-74.91
O=C(NCC1COCCN(C(=O)C23CCC[NH+]2CCC3)C1)C1=CC(=O)[N-]O1	REAL300030526045	0	53	0.0	-66.63	389.95	2.12	-64.51
O=C(NCC1COCCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1)C1=CC(=O)[N-]O1	REAL300030526053	1	47	0.0	-71.34	377.93	3.88	-67.46
C[NH+](C)C1CCCC(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030526103	0	58	0.0	-70.78	426.23	3.34	-67.44
C[N@@H+]1CCC(CC(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030526106	0	52	0.0	-75.11	398.44	2.46	-72.65
C[N@H+]1CCC(CC(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030526106	1	52	0.0	-73.11	398.79	2.46	-70.65
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030526117	0	51	0.0	-69.45	400.15	0.25	-69.20
CCC(C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030526122	0	51	0.0	-66.28	376.72	1.58	-64.70
C[NH+](C)CCCCC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030526176	0	54	0.0	-74.38	417.44	2.98	-71.40
CC(C)C(C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030526197	0	54	0.0	-71.17	393.55	2.51	-68.66
CCC[N@H+](C)CCC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030526199	0	54	0.0	-73.76	413.73	2.83	-70.93
CCC[N@@H+](C)CCC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030526199	1	54	0.0	-73.67	413.71	2.82	-70.85
CCC[N@H+](C)CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030526204	0	51	0.0	-70.68	391.35	2.21	-68.47
CCC[N@@H+](C)CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030526204	1	51	0.0	-70.65	391.36	2.24	-68.41
O=C(NCC1COCCN(C(=O)C23CC[N@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300030526225	0	53	0.0	-72.33	385.23	1.65	-70.68
O=C(NCC1COCCN(C(=O)C23CC[N@@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300030526225	1	53	0.0	-74.83	386.50	1.70	-73.13
CCCCCC[N@H+](C)CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030526250	0	60	0.0	-71.89	455.84	4.56	-67.33
CCCCCC[N@@H+](C)CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030526250	1	60	0.0	-71.95	455.86	4.57	-67.38
CC[NH+](CC)C(C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300030526254	0	60	0.0	-69.15	423.29	3.77	-65.38
CC1CC[NH+](CC(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030526284	0	55	0.0	-71.21	415.12	3.30	-67.91
C[NH+]1CCC(OCC(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030526309	0	56	0.0	-78.50	432.07	2.97	-75.53
O=C(NCC1COCCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030526348	0	56	0.0	-74.70	416.34	3.36	-71.34
O=C(NCC1COCCN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030526348	1	56	0.0	-74.89	416.18	3.33	-71.56
C[NH+](C)CC1(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030526358	0	52	0.0	-75.79	399.15	2.29	-73.50
CC(C)[NH+]1CCC(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030526369	0	58	0.0	-72.00	426.07	3.30	-68.70
CC[N@H+](C)CCC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030526389	0	51	0.0	-72.85	392.28	2.10	-70.75
CC[N@@H+](C)CCC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030526389	1	51	0.0	-72.96	392.29	2.09	-70.87
CC(C)(C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300030526411	0	58	0.0	-70.58	414.01	3.61	-66.97
O=C(NCC1COCCN(C(=O)C2C[NH+]3CCC2CC3)C1)C1=CC(=O)[N-]O1	REAL300030526419	0	53	0.0	-80.57	390.22	2.32	-78.25
C[NH+]1CCC(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030526489	0	52	0.0	-77.80	391.90	2.20	-75.60
CC(C)[C@H](C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030526507	0	54	0.0	-67.76	395.17	2.35	-65.41
CC[NH+](CC)CC(F)C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030526591	0	54	0.0	-65.24	413.05	2.74	-62.50
CC(C)C[N@@H+]1CCC(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030526620	0	58	0.0	-72.50	434.95	3.65	-68.85
CC(C)C[N@H+]1CCC(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030526620	1	58	0.0	-71.26	433.26	3.66	-67.60
C[NH+](C)C1(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300030526623	0	52	0.0	-70.40	377.81	1.88	-68.52
CCC(C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030526653	0	57	0.0	-63.67	412.65	2.92	-60.75
CC1CCC[N@@H+]1CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030526672	0	52	0.0	-67.89	397.02	2.48	-65.41
CC1CCC[N@H+]1CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030526672	1	52	0.0	-67.78	397.53	2.59	-65.19
CC(C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300030526722	0	58	0.0	-66.41	418.70	3.11	-63.30
CC(C)[N@@H+]1CCCCC1C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030526724	0	58	0.0	-65.13	422.75	3.28	-61.85
CC(C)[N@H+]1CCCCC1C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030526724	1	58	0.0	-65.44	416.26	3.02	-62.42
CC(C)[N@@H+]1CCCC1C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030526744	0	55	0.0	-66.60	407.14	2.71	-63.89
CC(C)[N@H+]1CCCC1C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030526744	1	55	0.0	-66.29	407.52	2.70	-63.59
CC(C)[N@@H+]1CCCC1CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030526750	0	58	0.0	-65.36	423.61	3.01	-62.35
CC(C)[N@H+]1CCCC1CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030526750	1	58	0.0	-65.61	422.54	2.97	-62.64
CC(C)[C@@H](C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030526762	0	54	0.0	-68.91	392.94	2.18	-66.73
CC1CC[N@H+](CC(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030526781	0	52	0.0	-69.55	397.52	2.50	-67.05
CC1CC[N@@H+](CC(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030526781	1	52	0.0	-70.02	398.14	2.52	-67.50
CC1(C)CC[N@H+](CC(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030526785	0	55	0.0	-69.73	417.12	3.04	-66.69
CC1(C)CC[N@@H+](CC(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030526785	1	55	0.0	-69.66	417.09	3.04	-66.62
C[N@H+](CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030526786	0	57	0.0	-70.54	419.95	3.20	-67.34
C[N@@H+](CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030526786	1	57	0.0	-70.20	421.90	3.34	-66.86
CC[C@@H](C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030526794	0	51	0.0	-70.86	382.51	1.79	-69.07
CC1=[NH+]C=CN1CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030526970	1	47	0.0	-67.57	380.58	2.38	-65.19
CC(C[NH+]1CCOCC1)C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030526971	0	56	0.0	-73.72	420.14	1.33	-72.39
O=C(CCC[NH+]1CCCCC1)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030526986	0	58	0.0	-72.39	437.59	4.09	-68.30
C[NH+](C)CC1=CC(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300030527000	1	51	0.0	-71.97	405.42	2.17	-69.80
CC1=C(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300030527001	0	50	0.0	-76.64	405.04	4.38	-72.26
CC(C)C1=[NH+]C=CN1CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030527032	1	53	0.0	-65.50	417.76	3.53	-61.97
O=C(NCC1COCCN(C(=O)C2CCCC3CCC[N@@H+]32)C1)C1=CC(=O)[N-]O1	REAL300030527063	0	56	0.0	-65.92	404.41	2.88	-63.04
O=C(NCC1COCCN(C(=O)C2CCCC3CCC[N@H+]32)C1)C1=CC(=O)[N-]O1	REAL300030527063	1	56	0.0	-72.51	402.97	3.22	-69.29
CC[N@@H+]1CCOC(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030527078	1	53	0.0	-68.07	396.16	1.55	-66.52
CC[N@H+]1CCOC(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030527078	1	53	0.0	-76.91	395.38	1.49	-75.42
O=C(NCC1COCCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300030527127	0	47	0.0	-77.71	387.20	4.15	-73.56
CC1=C[NH+]=CN1CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030527132	1	47	0.0	-70.55	381.88	3.13	-67.42
C[C@@H]1[C@H](C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030527145	0	52	0.0	-71.36	385.48	2.18	-69.18
C[C@@H]1[C@H](C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030527145	1	52	0.0	-72.91	392.49	1.97	-70.94
CC[C@@H]1[C@@H](C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030527149	0	55	0.0	-74.20	405.50	2.35	-71.85
CC[C@@H]1[C@@H](C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030527149	1	55	0.0	-71.66	410.47	2.66	-69.00
CC1CCC(C)[NH+]1CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030527160	0	55	0.0	-66.62	408.24	2.66	-63.96
O=C(CCC[NH+]1CCCC1)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030527166	0	55	0.0	-71.91	420.31	3.27	-68.64
C#CC[NH+]1CCC(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030527172	0	54	0.0	-77.55	416.68	3.36	-74.19
O=C(CC[NH+]1CCCCC1)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030527173	0	55	0.0	-72.11	416.04	3.27	-68.84
CC[N@@H+]1CCCCC1C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030527179	0	55	0.0	-69.78	402.59	2.63	-67.15
CC[N@H+]1CCCCC1C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030527179	1	55	0.0	-66.76	409.52	3.00	-63.76
C[NH+](C)C1(CC(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030527216	0	58	0.0	-74.70	415.97	3.31	-71.39
C[N@H+](CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030527347	0	52	0.0	-68.15	398.34	2.79	-65.36
C[N@@H+](CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030527347	1	52	0.0	-68.47	398.32	2.79	-65.68
CC(C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300030527369	0	58	0.0	-65.50	407.67	2.50	-63.00
O=C(CCCC[NH+]1CCCC1)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030527381	0	58	0.0	-73.46	441.79	4.05	-69.41
C[NH+]1CCC(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030527392	0	52	0.0	-77.80	391.90	2.20	-75.60
C[N@@H+]1CCC[C@@H]1C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030527429	0	49	0.0	-71.00	371.11	1.35	-69.65
C[N@H+]1CCC[C@@H]1C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030527429	1	49	0.0	-68.91	376.92	1.67	-67.24
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030527451	1	51	0.0	-66.57	396.84	2.53	-64.04
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030527451	1	51	0.0	-68.97	403.48	2.96	-66.01
C[N@@H+]1CCCC1CCC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030527456	0	55	0.0	-76.17	419.58	3.36	-72.81
C[N@H+]1CCCC1CCC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030527456	1	55	0.0	-70.46	413.95	2.86	-67.60
O=C(NCC1COCCN(C(=O)C23CCC[NH+](CCC2)C3)C1)C1=CC(=O)[N-]O1	REAL300030527465	0	56	0.0	-72.02	400.37	2.49	-69.53
O=C(NCC1COCCN(C(=O)C2CCC3CCCC[N@@H+]32)C1)C1=CC(=O)[N-]O1	REAL300030527468	0	56	0.0	-65.63	416.42	3.55	-62.08
O=C(NCC1COCCN(C(=O)C2CCC3CCCC[N@H+]32)C1)C1=CC(=O)[N-]O1	REAL300030527468	1	56	0.0	-68.10	411.73	3.21	-64.89
CCC[N@@H+]1CCCC(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030527532	0	58	0.0	-65.33	424.89	3.71	-61.62
CCC[N@H+]1CCCC(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030527532	1	58	0.0	-70.82	431.08	3.54	-67.28
CC(C)[N@@H+]1CCOC(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030527547	1	56	0.0	-80.67	419.11	2.19	-78.48
CC(C)[N@H+]1CCOC(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030527547	1	56	0.0	-74.55	412.11	1.98	-72.57
C[N@@H+]1CCCCC1C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030527569	0	52	0.0	-68.55	391.59	2.30	-66.25
C[N@H+]1CCCCC1C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030527569	1	52	0.0	-67.50	380.82	1.86	-65.64
CC(C)C[N@@H+]1CCCC1C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030527590	0	58	0.0	-68.33	430.39	3.42	-64.91
CC(C)C[N@H+]1CCCC1C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030527590	1	58	0.0	-68.78	429.55	3.46	-65.32
O=C(C[NH+]1CCC(CO)CC1)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030527604	0	56	0.0	-72.10	425.72	-0.02	-72.12
CC1C(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030527645	0	52	0.0	-71.70	394.17	2.14	-69.56
CC1C(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030527645	1	52	0.0	-73.89	390.24	2.27	-71.62
C[N@@H+]1CCCCC1CCC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030527647	0	58	0.0	-69.65	433.51	3.80	-65.85
C[N@H+]1CCCCC1CCC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030527647	1	58	0.0	-74.37	426.17	3.59	-70.78
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030527729	0	55	0.0	-68.32	412.90	2.45	-65.87
CC(C)(C)[N@H+]1CCC1C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030527729	1	55	0.0	-67.14	412.01	2.45	-64.69
C[C@@H](C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030527747	0	48	0.0	-69.30	367.75	1.15	-68.15
C=CCC(C)(C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030527761	0	55	0.0	-64.80	397.45	2.23	-62.57
O=C(CC[NH+]1CCCC1)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030527782	0	52	0.0	-73.06	399.68	2.52	-70.54
C[N@H+](CCO)CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030527792	1	49	0.0	-71.84	380.21	-1.75	-73.59
C[N@@H+](CCO)CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030527792	1	49	0.0	-70.81	379.99	-1.77	-72.58
O=C(NCC1COCCN(C(=O)C2C[N@@H+]3CCN2CCC3)C1)C1=CC(=O)[N-]O1	REAL300030527827	0	55	0.0	-84.32	395.35	0.24	-84.08
O=C(NCC1COCCN(C(=O)C2C[N@H+]3CCN2CCC3)C1)C1=CC(=O)[N-]O1	REAL300030527827	1	55	0.0	-76.55	395.60	0.21	-76.34
CC(C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300030527847	1	53	0.0	-70.72	407.34	2.67	-68.05
C[N@H+]1CC=C(CC(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030527878	0	53	0.0	-69.81	411.20	3.17	-66.64
C[N@@H+]1CC=C(CC(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030527878	1	53	0.0	-67.98	411.18	3.17	-64.81
C[S+](C)CCC(O)C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030527892	0	51	0.0	-80.39	412.20	0.20	-80.19
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030527910	0	53	0.0	-72.06	385.16	-1.26	-73.32
C[N@H+]1CC(O)CC1(C)C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030527910	1	53	0.0	-70.64	394.06	-1.66	-72.30
CN1CC[N@H+](C)CC(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030527920	0	57	0.0	-68.13	419.95	0.57	-67.56
CN1CC[N@@H+](C)CC(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030527920	1	57	0.0	-69.70	422.17	0.71	-68.99
CC(C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300030527921	0	56	0.0	-70.13	419.73	-0.40	-70.53
CC(C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300030527921	1	56	0.0	-70.14	419.81	-0.37	-70.51
C[N@@H+]1CCCC(O)(CC(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030527950	0	56	0.0	-70.46	419.56	1.27	-69.19
C[N@H+]1CCCC(O)(CC(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030527950	1	56	0.0	-71.54	409.82	1.08	-70.46
CC1C[NH+](CC(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030527954	1	49	0.0	-70.83	383.35	1.89	-68.94
CC[N@@H+]1CCCC(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030527960	0	55	0.0	-71.67	413.15	2.98	-68.69
CC[N@H+]1CCCC(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030527960	1	55	0.0	-71.69	413.06	2.97	-68.72
NC1=[NH+]C=CC=C1CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030527966	0	48	0.0	-67.37	386.36	0.64	-66.73
O=C(NCC1COCCN(C(=O)C2CCC[N@@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300030527976	0	53	0.0	-69.72	401.61	2.62	-67.10
O=C(NCC1COCCN(C(=O)C2CCC[N@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300030527976	1	53	0.0	-66.14	400.65	2.96	-63.18
O=C(C=CC[NH+]1CCCC1)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030528012	0	53	0.0	-72.17	411.79	3.12	-69.05
O=C(NCC1COCCN(C(=O)C2CC[NH+](C3CC3)CC2)C1)C1=CC(=O)[N-]O1	REAL300030528032	0	56	0.0	-75.04	416.78	3.38	-71.66
CC[N@H+](C)CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030528073	0	48	0.0	-70.35	369.93	1.50	-68.85
O=C(CN1CC2C=CC1C2)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030528119	0	51	0.0	-67.49	390.93	2.67	-64.82
O=C(C[N@@H+]1CC2C=CC1C2)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030528119	1	51	0.0	-66.26	391.46	2.67	-63.59
O=C(C[N@H+]1CC2C=CC1C2)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030528119	1	51	0.0	-66.26	391.46	2.67	-63.59
O=C(NCC1COCCN(C(=O)C23CCC[N@@H+]2CCCC3)C1)C1=CC(=O)[N-]O1	REAL300030528234	0	56	0.0	-65.50	400.83	2.61	-62.89
O=C(NCC1COCCN(C(=O)C23CCC[N@H+]2CCCC3)C1)C1=CC(=O)[N-]O1	REAL300030528234	1	56	0.0	-65.50	400.83	2.61	-62.89
O=C(NCC1COCCN(C(=O)C23CCC[N@@H+]2CC=CC3)C1)C1=CC(=O)[N-]O1	REAL300030528241	0	54	0.0	-64.82	393.13	2.33	-62.49
O=C(NCC1COCCN(C(=O)C23CCC[N@H+]2CC=CC3)C1)C1=CC(=O)[N-]O1	REAL300030528241	1	54	0.0	-64.82	393.13	2.33	-62.49
CC(OCC[NH+](C)C)C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030528250	0	55	0.0	-72.41	424.13	2.39	-70.02
C[NH+](C)CCOCCC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030528259	0	55	0.0	-72.99	428.93	1.63	-71.36
COCCN(C)CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030528261	0	52	0.0	-70.36	402.22	0.66	-69.70
COCC[N@H+](C)CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030528261	1	52	0.0	-72.12	402.46	0.65	-71.47
COCC[N@@H+](C)CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030528261	1	52	0.0	-72.12	402.46	0.65	-71.47
CC(CCC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030528266	0	54	0.0	-76.99	405.76	2.57	-74.42
CC[N@H+](CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030528289	0	52	0.0	-67.80	398.16	2.80	-65.00
CC1C[N@@H+]2CCN1C(C(=O)N1CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030528304	0	55	0.0	-81.36	401.47	-0.54	-81.90
C[N@@H+]1CC2CC1(C(=O)N1CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030528326	0	50	0.0	-69.79	378.96	1.82	-67.97
O=C(C[N@@H+]1CC2CCC1C2)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030528340	0	53	0.0	-67.24	396.47	2.72	-64.52
O=C(C[N@H+]1CC2CCC1C2)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030528340	1	53	0.0	-67.24	396.47	2.72	-64.52
CC(C[NH+](C)C)C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030528359	0	51	0.0	-64.23	385.49	1.88	-62.35
CCN1CCC1C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030528405	0	49	0.0	-67.83	375.16	1.45	-66.38
CC[N@@H+]1CCC1C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030528405	1	49	0.0	-68.15	375.45	1.46	-66.69
CC[N@H+]1CCC1C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030528405	1	49	0.0	-68.15	375.45	1.46	-66.69
CC(C)[N@@H+]1CCCC(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030528417	0	58	0.0	-64.62	420.07	3.48	-61.14
CC(C)[N@H+]1CCCC(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030528417	1	58	0.0	-64.62	420.07	3.48	-61.14
CCC(C)(C)[NH2+]C(C)C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030528430	0	57	0.0	-68.54	413.71	1.24	-67.30
C#CCN1CCCCC1C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030528469	0	54	0.0	-68.49	416.86	3.50	-64.99
C#CC[N@H+]1CCCCC1C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030528469	1	54	0.0	-67.07	406.03	3.06	-64.01
C#CC[N@@H+]1CCCCC1C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030528469	1	54	0.0	-67.07	406.03	3.06	-64.01
CNC1=NC(C)=CC=C1C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030528470	0	51	0.0	-66.08	403.51	1.43	-64.65
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030528470	1	51	0.0	-66.08	403.51	1.43	-64.65
CCCC(C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030528480	0	54	0.0	-69.12	405.01	2.65	-66.47
C[NH+](C)C(C)(C)C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030528487	0	51	0.0	-75.23	371.94	1.73	-73.50
CC(CC[NH+](C)C)C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030528505	0	54	0.0	-72.60	407.41	2.40	-70.20
O=C(NCC1COCCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1)C1=CC(=O)[N-]O1	REAL300030528566	0	54	0.0	-72.63	403.53	4.14	-68.49
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030528595	0	55	0.0	-67.02	414.12	2.80	-64.22
C[NH+](C)CCCCCC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030528598	0	57	0.0	-73.79	438.97	3.76	-70.03
O=C(CC[NH+]1CCC(O)CC1)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030528602	0	56	0.0	-75.45	427.19	-0.08	-75.53
CCC[N@@H+]1CCCCC1C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030528606	0	58	0.0	-66.99	420.10	3.27	-63.72
CCC[N@H+]1CCCCC1C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030528606	1	58	0.0	-66.99	420.10	3.27	-63.72
CN1CCN(CC(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030528615	0	54	0.0	-72.02	411.10	0.29	-71.73
C[NH+]1CCN(CC(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030528615	1	54	0.0	-72.02	411.10	0.29	-71.73
CC1CN(C)CC(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030528701	0	53	0.0	-86.74	398.48	1.34	-85.40
CC1C[N@H+](C)CC(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030528701	1	53	0.0	-68.37	399.64	1.65	-66.72
CC1C[N@@H+](C)CC(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030528701	1	53	0.0	-68.37	399.64	1.65	-66.72
CCC1CCC[N@H+](CC(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030528733	0	58	0.0	-70.83	433.08	3.91	-66.92
CCC1CCC[N@@H+](CC(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030528733	1	58	0.0	-70.83	433.08	3.91	-66.92
O=C(CC1([NH+]2CCCC2)CC1)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030528766	0	56	0.0	-68.36	417.31	3.61	-64.75
C[N@@H+]1CCCCC1C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030528801	0	52	0.0	-67.50	380.82	1.86	-65.64
C[N@@H+]1CCC(=CC(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030528907	0	50	0.0	-71.66	390.13	2.36	-69.30
C[N@H+]1CCC(=CC(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030528907	1	50	0.0	-71.19	390.19	2.34	-68.85
O=C(CNC1=CC=[NH+]C=C1)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030528912	0	48	0.0	-72.12	387.83	0.06	-72.06
CC[NH+]1CCN(CC(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030528965	0	57	0.0	-70.86	428.34	0.93	-69.93
O=C(C=C1C[NH+]2CCC1CC2)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030528968	0	54	0.0	-66.75	407.62	3.23	-63.52
C[NH+](C)C1(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030529002	0	55	0.0	-71.00	387.45	2.65	-68.35
C[N@H+](CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300030529013	0	56	0.0	-66.36	422.27	0.11	-66.25
C[N@@H+](CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300030529013	1	56	0.0	-68.52	422.86	0.21	-68.31
CCC1C[NH+](CC(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030529017	1	52	0.0	-71.82	404.57	2.61	-69.21
O=C(NCC1COCCN(C(=O)C2([NH+]3CCCC3)CCC2)C1)C1=CC(=O)[N-]O1	REAL300030529020	0	56	0.0	-72.49	408.27	3.07	-69.42
C[N@@H+]1CCC[C@H]1C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030529032	0	49	0.0	-68.24	376.30	1.66	-66.58
C[N@H+]1CCC[C@H]1C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030529032	1	49	0.0	-70.32	370.58	1.36	-68.96
CC[N@@H+]1CCOCC1CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030529058	0	56	0.0	-72.13	415.83	1.17	-70.96
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030529169	0	52	0.0	-74.16	401.38	2.53	-71.63
C[NH+](C)C1CCC(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030529183	0	58	0.0	-76.33	429.88	3.49	-72.84
C[NH+](C)CCC1(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030529184	0	55	0.0	-78.76	422.70	3.11	-75.65
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030529186	0	58	0.0	-70.97	419.69	3.19	-67.78
C[N@@H+]1CC=CCC1CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030529187	0	53	0.0	-74.45	403.26	2.91	-71.54
C[N@H+]1CC=CCC1CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030529187	1	53	0.0	-74.45	403.26	2.91	-71.54
C[NH+](C)CCOCC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030529241	0	52	0.0	-72.10	407.94	1.91	-70.19
CCCCC[N@H+](C)CCC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030529246	0	60	0.0	-74.64	456.78	4.39	-70.25
CCCCC[N@@H+](C)CCC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030529246	1	60	0.0	-74.64	456.78	4.39	-70.25
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030529257	0	56	0.0	-72.91	427.50	2.64	-70.27
[NH2+]=C1SC=CN1CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030529280	0	45	0.0	-67.11	379.19	0.98	-66.13
C[C@@H](OCC[NH+](C)C)C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030529347	0	55	0.0	-67.62	422.87	2.35	-65.27
O=C(CC[NH+]1CCCCCC1)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030529382	0	58	0.0	-73.13	426.55	3.84	-69.29
O=C(C[NH+]1CCCCC1)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030529385	0	52	0.0	-70.25	393.79	2.66	-67.59
C[N@@H+]1CCCC(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030529387	0	52	0.0	-73.60	395.50	2.32	-71.28
C[N@H+]1CCCC(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030529387	1	52	0.0	-63.42	387.51	2.50	-60.92
O=C(C[NH+]1CCC(CO)CC1)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030529388	0	56	0.0	-72.10	425.72	-0.02	-72.12
O=C(C[NH+]1CCCCCC1)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030529389	0	55	0.0	-70.71	405.31	3.21	-67.50
CN1C=C[N+](CC(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030529394	0	47	0.0	-67.36	383.31	4.30	-63.06
C[NH+](C)CC1=CC=C(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030529409	1	52	0.0	-72.44	413.11	2.70	-69.74
O=C(C[NH+]1CCC(O)CC1)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030529425	1	53	0.0	-74.73	404.94	-0.67	-75.40
C[N@@H+](CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030529429	1	49	0.0	-68.04	381.60	2.23	-65.81
CC(C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300030529431	1	57	0.0	-71.27	421.49	0.46	-70.81
O=C(CC[N@@H+]1CCC(F)C1)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030529433	1	52	0.0	-76.93	406.15	2.59	-74.34
COC1C[N@@H+](C)C(C)(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030529442	1	56	0.0	-70.31	407.15	1.12	-69.19
CC(CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030529459	0	54	0.0	-73.77	409.09	2.85	-70.92
O=C(NCC1COCCN(C(=O)C2CC[N@@H+]3CCOCC23)C1)C1=CC(=O)[N-]O1	REAL300030529471	0	54	0.0	-74.89	407.76	0.95	-73.94
O=C(NCC1COCCN(C(=O)C2CC[N@H+]3CCOCC23)C1)C1=CC(=O)[N-]O1	REAL300030529471	1	54	0.0	-71.61	403.09	0.92	-70.69
CC1=[NH+]C=C2C=CC(C(=O)N3CCOCC(CNC(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300030529476	0	50	0.0	-72.95	408.62	3.92	-69.03
CN1CCOCC1CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030529489	0	53	0.0	-77.68	402.70	0.68	-77.00
C[N@@H+]1CCOCC1CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030529489	1	53	0.0	-68.75	395.23	0.51	-68.24
C[N@H+]1CCOCC1CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030529489	1	53	0.0	-77.68	402.70	0.68	-77.00
CC[NH+]1CCN(CC(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030529497	0	57	0.0	-70.86	428.34	0.93	-69.93
CC1=CC(N)=[NH+]C=C1C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030529549	1	48	0.0	-74.21	383.08	0.08	-74.13
NC1=CC=C(CCC(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300030529552	0	51	0.0	-71.67	411.20	1.37	-70.30
CC1(O)CC[N@@H+](CC(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030529589	1	53	0.0	-69.19	408.07	-0.80	-69.99
C[NH+]1CC(CC(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030529621	0	49	0.0	-71.73	383.20	1.58	-70.15
O=C(NCC1COCCN(C(=O)C2CC[N@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300030529625	1	56	0.0	-71.73	422.51	3.61	-68.12
C[NH+](C)CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030529633	0	45	0.0	-71.03	352.08	0.79	-70.24
C[N@H+](CCO)CCC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030529661	0	52	0.0	-73.08	402.63	-1.13	-74.21
C[N@@H+](CCO)CCC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030529661	1	52	0.0	-72.47	402.52	-1.16	-73.63
C[C@@H](C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030529662	0	48	0.0	-69.30	367.75	1.15	-68.15
C[N@@H+]1CCCCC1CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030529680	0	55	0.0	-74.73	411.18	3.03	-71.70
C[N@H+]1CCCCC1CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030529680	1	55	0.0	-65.40	403.87	2.90	-62.50
CC1=C2C=C(C(=O)N3CCOCC(CNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030529699	1	50	0.0	-75.25	409.24	4.74	-70.51
CC(C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300030529700	1	52	0.0	-69.55	400.74	2.29	-67.26
CC1CCN1CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030529704	0	49	0.0	-69.92	383.50	1.89	-68.03
CC1CC[N@@H+]1CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030529704	1	49	0.0	-69.15	383.33	1.84	-67.31
CC1CC[N@H+]1CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030529704	1	49	0.0	-69.92	383.50	1.89	-68.03
C[NH+](C)CC=CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030529715	0	49	0.0	-71.48	387.17	2.04	-69.44
CC1(C)C[NH+](CC(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030529727	1	52	0.0	-71.04	402.51	2.37	-68.67
CC1=C(C)[NH+]=C(CCC(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030529742	1	53	0.0	-66.80	423.30	2.19	-64.61
CC1=C2C=C(C(=O)N3CCOCC(CNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030529753	1	50	0.0	-75.25	409.24	4.74	-70.51
C[NH+](C)CCSCC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030529762	0	52	0.0	-77.88	418.97	2.82	-75.06
O=C(C[N@@H+]1CCCC1CO)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030529787	1	53	0.0	-69.70	401.73	-1.13	-70.83
CC[NH+](CC)CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030529791	0	51	0.0	-68.76	383.67	1.86	-66.90
C[N@@H+](CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300030529801	1	53	0.0	-74.51	411.46	3.07	-71.44
O=C(C[NH+]1CCC1)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030529803	1	46	0.0	-71.14	362.40	1.26	-69.88
CC[NH+](CC)CCC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030529847	0	54	0.0	-72.04	410.07	2.76	-69.28
C[NH+](C)CC1=CNC(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030529907	0	53	0.0	-78.18	414.97	2.40	-75.78
CC(C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300030529924	0	56	0.0	-72.48	421.04	-0.33	-72.81
O=C(NCC1COCCN(C(=O)C2CC3COCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030529929	0	54	0.0	-71.24	407.08	1.02	-70.22
O=C(NCC1COCCN(C(=O)C2CC3COCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030529929	1	54	0.0	-73.31	409.63	1.06	-72.25
CC(C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030529941	1	49	0.0	-68.70	372.34	1.37	-67.33
CCC(CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030529946	0	57	0.0	-76.41	426.92	3.47	-72.94
NC1=CC=C(C=CC(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300030529953	0	49	0.0	-70.02	398.62	1.04	-68.98
C[NH+](C)CC(C)(C)C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030529954	0	54	0.0	-67.34	390.67	2.07	-65.27
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030530010	0	52	0.0	-72.36	385.10	2.04	-70.32
C[N@H+]1CCCC[C@@H]1C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030530010	1	52	0.0	-66.02	391.90	2.37	-63.65
CC1CN2CC[N@@H+]1CC2C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030530024	0	55	0.0	-79.69	401.98	-0.55	-80.24
CC1CN2CC[N@H+]1CC2C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030530024	1	55	0.0	-70.57	401.86	-0.57	-71.14
C[NH+](C)CC(O)CC(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030530045	0	52	0.0	-76.74	404.68	-0.14	-76.88
C[NH+]1C2CCC1CC(C(=O)N1CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030530047	0	56	0.0	-64.86	397.38	2.53	-62.33
C=CCC(C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030530078	0	52	0.0	-69.09	396.38	2.34	-66.75
O=C(NCC1COCCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030530086	0	56	0.0	-74.70	416.34	3.36	-71.34
O=C(NCC1COCCN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030530086	1	56	0.0	-74.89	416.18	3.33	-71.56
C[NH+]1CCC(C)(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030530097	0	55	0.0	-66.21	400.50	2.33	-63.88
C[NH+]1CCC(O)(CC(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030530099	0	56	0.0	-71.92	422.43	1.15	-70.77
CC1=C2C=C(C(=O)NCC3COCCN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030530171	1	50	0.0	-74.41	401.09	4.75	-69.66
C[NH+](C)CCSCC(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030530180	0	52	0.0	-77.35	415.62	2.61	-74.74
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2COCC[N@@H+]2C1	REAL300030530187	0	54	0.0	-69.57	405.84	0.99	-68.58
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2COCC[N@H+]2C1	REAL300030530187	1	54	0.0	-69.31	405.77	0.97	-68.34
C[N@@H+]1CCCC1C(=O)NC1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030530297	0	56	0.0	-67.76	415.87	3.46	-64.30
C[N@H+]1CCCC1C(=O)NC1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030530297	1	56	0.0	-65.60	405.49	3.33	-62.27
CCC(C(=O)NC1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300030530406	0	58	0.0	-64.09	414.34	3.92	-60.17
CCC[N@H+](C)CC(=O)NC1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030530411	0	58	0.0	-65.82	424.08	3.39	-62.43
CCC[N@@H+](C)CC(=O)NC1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030530411	1	58	0.0	-70.83	429.08	3.80	-67.03
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030530419	0	56	0.0	-69.54	409.84	2.93	-66.61
C[N@H+]1CCC[C@@H]1C(=O)NC1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030530419	1	56	0.0	-65.13	409.97	3.18	-61.95
CC[NH+](CC)CC(=O)NC1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030530424	0	58	0.0	-69.41	421.68	3.58	-65.83
CC[N@H+](C)CCC(=O)NC1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030530483	0	58	0.0	-71.38	429.96	3.57	-67.81
CC[N@@H+](C)CCC(=O)NC1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030530483	1	58	0.0	-69.42	425.53	4.02	-65.40
CC[C@@H](C(=O)NC1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300030530486	0	58	0.0	-65.19	414.90	3.88	-61.31
C[NH+](C)CC(=O)NC1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030530504	0	52	0.0	-68.34	385.70	2.93	-65.41
CC(C(=O)NC1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+]1CCC1	REAL300030530508	1	56	0.0	-68.65	420.28	3.45	-65.20
C[N@H+](CC(=O)NC1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1CC1	REAL300030530515	0	56	0.0	-67.02	419.12	3.78	-63.24
C[N@@H+](CC(=O)NC1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1CC1	REAL300030530515	1	56	0.0	-65.94	415.11	4.34	-61.60
C[NH+]1CC(CC(=O)NC2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030530521	0	56	0.0	-70.34	417.15	3.74	-66.60
C[C@@H](C(=O)NC1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300030530529	0	55	0.0	-67.51	403.59	3.33	-64.18
C[C@@H](C(=O)NC1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300030530551	0	55	0.0	-67.51	403.59	3.33	-64.18
O=C(C[NH+]1CCC1)NC1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030530570	1	53	0.0	-71.54	400.23	2.91	-68.63
C[C@H](C(=O)NC1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)[NH+](C)C	REAL300030530581	0	55	0.0	-65.16	403.10	3.33	-61.83
CC1C[NH+](CC(=O)NC2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C1	REAL300030530589	1	56	0.0	-66.13	414.93	3.15	-62.98
C[N@H+](CCO)CC(=O)NC1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030530600	1	56	0.0	-71.26	417.93	-0.19	-71.45
C[N@@H+](CCO)CC(=O)NC1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030530600	1	56	0.0	-65.80	412.90	-0.55	-66.35
CC[N@H+](C)CC(=O)NC1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030530607	0	55	0.0	-65.50	402.57	2.65	-62.85
CC[N@@H+](C)CC(=O)NC1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030530607	1	55	0.0	-70.57	407.58	3.06	-67.51
C[NH+](C)CC=CC(=O)NC1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030530626	0	56	0.0	-73.49	421.67	4.15	-69.34
CC[N@@H+]1CCC1C(=O)NC1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030530632	1	56	0.0	-66.59	416.45	2.95	-63.64
CC[N@H+]1CCC1C(=O)NC1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030530632	1	56	0.0	-67.16	417.35	3.93	-63.23
C[NH+](C)C(C)(C)C(=O)NC1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030530646	0	58	0.0	-73.26	414.14	3.79	-69.47
C[NH+](C)C1(C(=O)NC2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)CC1	REAL300030530671	0	56	0.0	-66.09	407.16	3.60	-62.49
CC(C[NH+](C)C)C(=O)NC1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030530694	0	58	0.0	-65.75	423.97	4.28	-61.47
CC1CC[N@@H+]1CC(=O)NC1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030530706	1	56	0.0	-65.52	411.23	3.62	-61.90
CC1CC[N@H+]1CC(=O)NC1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030530706	1	56	0.0	-68.41	421.19	3.46	-64.95
NC(=[NH2+])SCC(=O)NC1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030530729	0	50	0.0	-74.02	398.66	-0.64	-74.66
C[N@@H+]1CCC[C@H]1C(=O)NC1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030530761	0	56	0.0	-66.62	415.88	3.45	-63.17
C[N@H+]1CCC[C@H]1C(=O)NC1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030530761	1	56	0.0	-68.25	409.88	2.92	-65.33
C[N@@H+]1CCCC1C(=O)N1CCOC2(CCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030530875	0	56	0.0	-73.49	411.55	3.16	-70.33
C[N@H+]1CCCC1C(=O)N1CCOC2(CCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030530875	1	56	0.0	-72.49	406.57	2.75	-69.74
CCC(C(=O)N1CCOC2(CCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300030530954	0	58	0.0	-72.07	419.24	4.07	-68.00
CCC[N@H+](C)CC(=O)N1CCOC2(CCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030530958	0	58	0.0	-72.56	432.32	4.01	-68.55
CCC[N@@H+](C)CC(=O)N1CCOC2(CCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030530958	1	58	0.0	-72.42	432.27	4.01	-68.41
CC[N@H+](C)CCC(=O)N1CCOC2(CCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030530976	0	58	0.0	-76.11	428.76	4.31	-71.80
CC[N@@H+](C)CCC(=O)N1CCOC2(CCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030530976	1	58	0.0	-75.99	428.76	4.31	-71.68
CC[C@@H](C(=O)N1CCOC2(CCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300030531019	0	58	0.0	-67.06	414.06	3.88	-63.18
C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC2(CCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030531066	0	56	0.0	-70.75	410.44	3.08	-67.67
C[N@H+]1CCC[C@@H]1C(=O)N1CCOC2(CCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030531066	1	56	0.0	-68.98	414.45	3.36	-65.62
C[C@@H](C(=O)N1CCOC2(CCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300030531122	0	55	0.0	-72.94	409.92	3.01	-69.93
C[N@H+](CCO)CC(=O)N1CCOC2(CCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030531132	1	56	0.0	-72.65	421.12	0.03	-72.62
C[N@@H+](CCO)CC(=O)N1CCOC2(CCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030531132	1	56	0.0	-71.11	416.43	0.48	-70.63
CC1C[NH+](CC(=O)N2CCOC3(CCC(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030531151	1	56	0.0	-71.22	419.87	4.12	-67.10
CC[N@H+](C)CC(=O)N1CCOC2(CCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030531169	0	55	0.0	-72.15	410.78	3.26	-68.89
CC[N@@H+](C)CC(=O)N1CCOC2(CCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030531169	1	55	0.0	-70.61	406.32	3.71	-66.90
CC(C[NH+](C)C)C(=O)N1CCOC2(CCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030531202	0	58	0.0	-69.23	425.87	4.14	-65.09
C[NH+](C)C1(C(=O)N2CCOC3(CCC(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300030531205	0	56	0.0	-75.11	411.07	3.53	-71.58
C[C@H](C(=O)N1CCOC2(CCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300030531209	0	55	0.0	-70.84	410.00	2.97	-67.87
CC[N@@H+]1CCC1C(=O)N1CCOC2(CCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030531212	1	56	0.0	-70.03	415.19	3.22	-66.81
CC[N@H+]1CCC1C(=O)N1CCOC2(CCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030531212	1	56	0.0	-71.01	419.78	3.95	-67.06
C[NH+](C)C(C)(C)C(=O)N1CCOC2(CCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030531221	0	58	0.0	-71.67	407.04	3.46	-68.21
C[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(CCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030531285	0	56	0.0	-70.75	419.08	3.56	-67.19
C[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030531285	1	56	0.0	-72.51	406.54	2.75	-69.76
C[N@H+](CC(=O)N1CCOC2(CCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300030531324	0	56	0.0	-70.57	417.93	4.44	-66.13
C[N@@H+](CC(=O)N1CCOC2(CCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300030531324	1	56	0.0	-67.73	417.87	4.43	-63.30
C[NH+]1CC(CC(=O)N2CCOC3(CCC(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030531353	0	56	0.0	-71.96	419.71	3.82	-68.14
C[NH+](C)CC(=O)N1CCOC2(CCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030531356	0	52	0.0	-71.17	388.60	3.01	-68.16
C[C@@H](C(=O)N1CCOC2(CCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300030531359	0	55	0.0	-72.94	409.92	3.01	-69.93
CC1CC[N@@H+]1CC(=O)N1CCOC2(CCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030531368	1	56	0.0	-72.61	418.90	3.41	-69.20
CC1CC[N@H+]1CC(=O)N1CCOC2(CCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030531368	1	56	0.0	-72.64	418.87	3.40	-69.24
C[NH+](C)CC=CC(=O)N1CCOC2(CCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030531369	0	56	0.0	-63.18	424.71	4.29	-58.89
CC[NH+](CC)CC(=O)N1CCOC2(CCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030531375	0	58	0.0	-69.33	420.20	4.09	-65.24
O=C(C[NH+]1CCC1)N1CCOC2(CCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030531376	1	53	0.0	-72.39	403.29	3.12	-69.27
CC(C(=O)N1CCOC2(CCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+]1CCC1	REAL300030531400	1	56	0.0	-60.03	416.40	3.92	-56.11
C[N@@H+]1CCCC1C(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C(F)(F)F	REAL300030531558	0	48	0.0	-66.51	391.57	3.20	-63.31
C[N@H+]1CCCC1C(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C(F)(F)F	REAL300030531558	1	48	0.0	-67.51	385.26	2.82	-64.69
CCC(C(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C(F)(F)F)[NH+](C)C	REAL300030531681	0	50	0.0	-66.38	396.61	3.23	-63.15
CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C(F)(F)F	REAL300030531687	0	50	0.0	-70.52	405.08	3.66	-66.86
CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C(F)(F)F	REAL300030531687	1	50	0.0	-70.40	404.97	3.65	-66.75
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C(F)(F)F	REAL300030531695	0	48	0.0	-71.24	385.27	2.82	-68.42
C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C(F)(F)F	REAL300030531695	1	48	0.0	-67.96	391.74	3.33	-64.63
CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C(F)(F)F	REAL300030531701	0	50	0.0	-69.09	401.86	3.59	-65.50
CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C(F)(F)F	REAL300030531763	0	50	0.0	-72.25	405.85	3.45	-68.80
CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C(F)(F)F	REAL300030531763	1	50	0.0	-72.33	405.85	3.44	-68.89
CC[C@@H](C(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C(F)(F)F)[NH+](C)C	REAL300030531766	0	50	0.0	-66.37	396.61	3.24	-63.13
C[NH+](C)CC(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C(F)(F)F	REAL300030531786	0	44	0.0	-70.84	365.82	2.23	-68.61
CC(C(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C(F)(F)F)[NH+]1CCC1	REAL300030531791	1	48	0.0	-69.91	395.94	3.17	-66.74
C[N@H+](CC(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C(F)(F)F)C1CC1	REAL300030531798	0	48	0.0	-67.40	394.49	3.68	-63.72
C[N@@H+](CC(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C(F)(F)F)C1CC1	REAL300030531798	1	48	0.0	-67.62	394.64	3.67	-63.95
C[NH+]1CC(CC(=O)NC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C(F)(F)F)C1	REAL300030531804	0	48	0.0	-72.93	396.93	2.98	-69.95
C[C@@H](C(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C(F)(F)F)[NH+](C)C	REAL300030531813	0	47	0.0	-67.92	383.99	2.64	-65.28
C[C@@H](C(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C(F)(F)F)[NH+](C)C	REAL300030531838	0	47	0.0	-67.92	383.99	2.64	-65.28
O=C(C[NH+]1CCC1)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C(F)(F)F	REAL300030531858	1	45	0.0	-70.56	376.25	2.72	-67.84
C[C@H](C(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C(F)(F)F)[NH+](C)C	REAL300030531871	0	47	0.0	-69.85	384.09	2.66	-67.19
CC1C[NH+](CC(=O)NC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C(F)(F)F)C1	REAL300030531879	1	48	0.0	-70.73	395.57	3.40	-67.33
C[N@H+](CCO)CC(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C(F)(F)F	REAL300030531890	1	48	0.0	-70.65	393.82	-0.34	-70.99
C[N@@H+](CCO)CC(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C(F)(F)F	REAL300030531890	1	48	0.0	-71.31	393.72	-0.32	-71.63
CC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C(F)(F)F	REAL300030531898	0	47	0.0	-70.18	383.58	2.92	-67.26
CC[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C(F)(F)F	REAL300030531898	1	47	0.0	-70.15	383.69	2.92	-67.23
C[NH+](C)CC=CC(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C(F)(F)F	REAL300030531919	0	48	0.0	-74.91	403.20	3.49	-71.42
CC[N@@H+]1CCC1C(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C(F)(F)F	REAL300030531926	1	48	0.0	-68.80	389.79	2.92	-65.88
CC[N@H+]1CCC1C(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C(F)(F)F	REAL300030531926	1	48	0.0	-67.52	389.78	2.93	-64.59
C[NH+](C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C(F)(F)F	REAL300030531942	0	50	0.0	-75.07	392.68	3.43	-71.64
C[NH+](C)C1(C(=O)NC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C(F)(F)F)CC1	REAL300030531970	0	48	0.0	-76.13	387.67	3.99	-72.14
CC(C[NH+](C)C)C(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C(F)(F)F	REAL300030531993	0	50	0.0	-71.80	404.36	3.51	-68.29
CC1CC[N@@H+]1CC(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C(F)(F)F	REAL300030532005	1	48	0.0	-69.69	397.14	3.32	-66.37
CC1CC[N@H+]1CC(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C(F)(F)F	REAL300030532005	1	48	0.0	-68.93	397.18	3.33	-65.60
NC(=[NH2+])SCC(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C(F)(F)F	REAL300030532031	0	42	0.0	-73.19	373.79	-0.81	-74.00
C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C(F)(F)F	REAL300030532064	0	48	0.0	-66.33	391.15	3.21	-63.12
C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C(F)(F)F	REAL300030532064	1	48	0.0	-67.84	385.71	2.77	-65.07
C[N@@H+]1CCCC1C(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C(F)(F)F)C1	REAL300030532186	0	48	0.0	-69.20	391.20	3.15	-66.05
C[N@H+]1CCCC1C(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C(F)(F)F)C1	REAL300030532186	1	48	0.0	-71.73	387.45	2.86	-68.87
CCC(C(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C(F)(F)F)C1)[NH+](C)C	REAL300030532276	0	50	0.0	-69.54	398.05	3.31	-66.23
CCC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C(F)(F)F)C1	REAL300030532280	0	50	0.0	-73.62	408.30	3.76	-69.86
CCC[N@@H+](C)CC(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C(F)(F)F)C1	REAL300030532280	1	50	0.0	-73.56	408.30	3.77	-69.79
CC[N@H+](C)CCC(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C(F)(F)F)C1	REAL300030532300	0	50	0.0	-75.37	408.51	3.65	-71.72
CC[N@@H+](C)CCC(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C(F)(F)F)C1	REAL300030532300	1	50	0.0	-75.39	408.51	3.62	-71.77
CC[C@@H](C(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C(F)(F)F)C1)[NH+](C)C	REAL300030532345	0	50	0.0	-69.39	397.50	3.35	-66.04
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C(F)(F)F)C1	REAL300030532396	0	48	0.0	-72.92	387.34	2.85	-70.07
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C(F)(F)F)C1	REAL300030532396	1	48	0.0	-70.03	390.61	3.21	-66.82
C[C@@H](C(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C(F)(F)F)C1)[NH+](C)C	REAL300030532460	0	47	0.0	-71.25	385.04	2.75	-68.50
C[N@H+](CCO)CC(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C(F)(F)F)C1	REAL300030532472	1	48	0.0	-74.11	397.15	-0.21	-74.32
C[N@@H+](CCO)CC(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C(F)(F)F)C1	REAL300030532472	1	48	0.0	-74.25	396.95	-0.20	-74.45
CC1C[NH+](CC(=O)N2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@H](C(F)(F)F)C2)C1	REAL300030532493	1	48	0.0	-73.87	400.43	3.45	-70.42
CC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C(F)(F)F)C1	REAL300030532511	0	47	0.0	-73.26	386.81	3.02	-70.24
CC[N@@H+](C)CC(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C(F)(F)F)C1	REAL300030532511	1	47	0.0	-73.27	386.80	3.03	-70.24
CC(C[NH+](C)C)C(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C(F)(F)F)C1	REAL300030532548	0	50	0.0	-66.65	403.45	3.46	-63.19
C[NH+](C)C1(C(=O)N2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@H](C(F)(F)F)C2)CC1	REAL300030532551	0	48	0.0	-76.43	390.98	3.52	-72.91
C[C@H](C(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C(F)(F)F)C1)[NH+](C)C	REAL300030532556	0	47	0.0	-71.87	385.38	2.75	-69.12
CC[N@@H+]1CCC1C(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C(F)(F)F)C1	REAL300030532559	1	48	0.0	-71.39	389.23	2.99	-68.40
CC[N@H+]1CCC1C(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C(F)(F)F)C1	REAL300030532559	1	48	0.0	-73.17	399.83	3.31	-69.86
NC1=CC=[NH+]C=C1C(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C(F)(F)F)C1	REAL300030532567	0	44	0.0	-75.24	377.05	0.30	-74.94
C[NH+](C)C(C)(C)C(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C(F)(F)F)C1	REAL300030532572	0	50	0.0	-76.26	389.21	3.39	-72.87
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C(F)(F)F)C1	REAL300030532642	0	48	0.0	-69.32	391.90	3.11	-66.21
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C(F)(F)F)C1	REAL300030532642	1	48	0.0	-71.60	386.73	2.90	-68.70
C[N@H+](CC(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C(F)(F)F)C1)C1CC1	REAL300030532690	0	48	0.0	-70.20	397.72	3.78	-66.42
C[N@@H+](CC(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C(F)(F)F)C1)C1CC1	REAL300030532690	1	48	0.0	-70.84	397.85	3.80	-67.04
C[NH+]1CC(CC(=O)N2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@H](C(F)(F)F)C2)C1	REAL300030532721	0	48	0.0	-73.99	400.41	3.18	-70.81
C[NH+](C)CC(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C(F)(F)F)C1	REAL300030532726	0	44	0.0	-73.86	369.16	2.35	-71.51
C[C@@H](C(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C(F)(F)F)C1)[NH+](C)C	REAL300030532731	0	47	0.0	-71.25	385.04	2.75	-68.50
CC1CC[N@@H+]1CC(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C(F)(F)F)C1	REAL300030532740	1	48	0.0	-72.52	400.02	3.45	-69.07
CC1CC[N@H+]1CC(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C(F)(F)F)C1	REAL300030532740	1	48	0.0	-72.22	399.94	3.48	-68.74
C[NH+](C)CC=CC(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C(F)(F)F)C1	REAL300030532741	0	48	0.0	-77.95	403.87	3.53	-74.42
CC[NH+](CC)CC(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C(F)(F)F)C1	REAL300030532750	0	50	0.0	-71.72	400.55	3.42	-68.30
O=C(C[NH+]1CCC1)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C(F)(F)F)C1	REAL300030532753	1	45	0.0	-73.84	379.48	2.83	-71.01
CC(C(=O)N1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)[C@H](C(F)(F)F)C1)[NH+]1CCC1	REAL300030532779	1	48	0.0	-71.23	389.25	2.91	-68.32
C[N@@H+]1CCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030532986	0	49	0.0	-72.00	358.33	1.69	-70.31
C[N@H+]1CCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030532986	1	49	0.0	-60.37	356.85	1.42	-58.95
C[N@@H+]1CCOC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030533010	1	50	0.0	-81.82	372.50	1.57	-80.25
C[N@H+]1CCOC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030533010	1	50	0.0	-81.04	373.90	1.36	-79.68
CC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1)[NH+]1CCCCCC1	REAL300030533168	0	58	0.0	-62.91	408.13	3.34	-59.57
CC(C)[N@@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030533170	0	58	0.0	-64.98	405.95	3.36	-61.62
CC(C)[N@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030533170	1	58	0.0	-58.01	400.68	3.56	-54.45
CC(C)[N@@H+]1CCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030533190	0	55	0.0	-68.72	398.63	3.22	-65.50
CC(C)[N@H+]1CCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030533190	1	55	0.0	-68.52	398.67	3.04	-65.48
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC1CO	REAL300030533206	0	56	0.0	-76.68	400.57	3.47	-73.21
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC3CCCC[N@H+]3C2)CC1CO	REAL300030533206	1	56	0.0	-64.38	404.38	3.53	-60.85
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030533224	1	53	0.0	-64.68	402.51	3.56	-61.12
CC1=[NH+]C=CN1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030533251	1	47	0.0	-68.46	366.92	2.83	-65.63
CC(C[NH+]1CCOCC1)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030533252	0	56	0.0	-69.58	407.42	1.44	-68.14
O=C(CCC[NH+]1CCCCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030533267	0	58	0.0	-71.35	422.39	4.13	-67.22
CC(C)(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1)[NH+]1CCCCC1	REAL300030533284	0	58	0.0	-63.55	387.98	3.56	-59.99
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2C[NH+]3CCC2CC3)CC1CO	REAL300030533292	0	53	0.0	-79.56	376.70	2.60	-76.96
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCCC3CCC[N@@H+]32)CC1CO	REAL300030533331	0	56	0.0	-59.03	391.46	3.39	-55.64
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCCC3CCC[N@H+]32)CC1CO	REAL300030533331	1	56	0.0	-62.15	391.78	3.02	-59.13
C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)CC[N@@H+]1C	REAL300030533344	0	52	0.0	-68.46	371.54	1.91	-66.55
C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)CC[N@H+]1C	REAL300030533344	1	52	0.0	-73.53	380.39	2.32	-71.21
CC[C@@H]1[C@@H](C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)CC[N@@H+]1C	REAL300030533348	0	55	0.0	-74.51	390.27	2.78	-71.73
CC[C@@H]1[C@@H](C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)CC[N@H+]1C	REAL300030533348	1	55	0.0	-74.15	396.16	3.26	-70.89
CC[N@@H+]1CCOC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030533357	1	53	0.0	-71.48	382.81	2.05	-69.43
CC[N@H+]1CCOC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030533357	1	53	0.0	-68.97	383.16	2.05	-66.92
CC[NH+](CC)CC(F)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030533398	0	54	0.0	-74.86	396.17	2.66	-72.20
CC1CCC(C)[NH+]1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030533458	0	55	0.0	-64.60	394.08	2.86	-61.74
O=C(CCC[NH+]1CCCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030533464	0	55	0.0	-73.22	408.37	3.82	-69.40
C#CC[NH+]1CCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)CC1	REAL300030533469	0	54	0.0	-74.08	404.67	3.87	-70.21
O=C(CC[NH+]1CCCCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030533470	0	55	0.0	-70.02	400.90	3.32	-66.70
CC[N@@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030533475	0	55	0.0	-56.68	396.86	3.07	-53.61
CC[N@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030533475	1	55	0.0	-67.95	388.88	3.26	-64.69
CC(C)C[N@@H+]1CCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030533489	0	58	0.0	-70.41	419.94	4.28	-66.13
CC(C)C[N@H+]1CCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030533489	1	58	0.0	-70.39	420.18	4.13	-66.26
C[NH+](C)C1(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)CCC1	REAL300030533492	0	52	0.0	-79.68	364.21	2.47	-77.21
CC(C)[N@@H+]1CCCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030533494	0	58	0.0	-66.10	406.77	3.33	-62.77
CC(C)[N@H+]1CCCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030533494	1	58	0.0	-64.63	405.64	3.54	-61.09
CC(C)[C@@H](C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1)[NH+](C)C	REAL300030533506	0	54	0.0	-59.83	378.82	2.61	-57.22
C[N@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1)C1CCC1	REAL300030533547	0	52	0.0	-65.93	382.44	3.26	-62.67
C[N@@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1)C1CCC1	REAL300030533547	1	52	0.0	-65.51	383.10	2.82	-62.69
CC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1)[NH+]1C(C)CCC1C	REAL300030533600	0	58	0.0	-57.73	401.80	2.79	-54.94
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030533654	1	51	0.0	-59.00	382.86	3.03	-55.97
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030533654	1	51	0.0	-65.23	387.27	3.04	-62.19
C[N@@H+]1CCCC1CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030533659	0	55	0.0	-75.87	406.23	3.72	-72.15
C[N@H+]1CCCC1CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030533659	1	55	0.0	-72.82	401.15	3.34	-69.48
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1CO	REAL300030533668	0	56	0.0	-69.72	385.93	2.79	-66.93
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCC3CCCC[N@@H+]32)CC1CO	REAL300030533671	0	56	0.0	-60.02	398.32	3.84	-56.18
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCC3CCCC[N@H+]32)CC1CO	REAL300030533671	1	56	0.0	-67.12	397.03	3.71	-63.41
O=C(CCCC[NH+]1CCCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030533687	0	58	0.0	-72.59	428.22	4.20	-68.39
C[NH+]1CCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)CC1	REAL300030533698	0	52	0.0	-71.33	380.00	2.72	-68.61
C[NH+](C)CC1=CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)=NO1	REAL300030533730	1	51	0.0	-81.17	394.75	2.24	-78.93
CC1=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C=CC2=C[NH+]=CN21	REAL300030533731	0	50	0.0	-78.12	386.66	4.87	-73.25
C[N@@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030533758	0	52	0.0	-62.77	367.36	2.31	-60.46
C[N@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030533758	1	52	0.0	-70.40	369.12	2.35	-68.05
CC(C)C[N@@H+]1CCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030533778	0	58	0.0	-68.73	414.41	3.89	-64.84
CC(C)C[N@H+]1CCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030533778	1	58	0.0	-64.34	418.87	4.21	-60.13
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC1CO	REAL300030533872	0	47	0.0	-74.18	360.25	4.37	-69.81
CC1=[NH+]C=CN1CCCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030533880	1	53	0.0	-70.12	407.86	3.79	-66.33
O=C(CC[NH+]1CCOCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030533884	1	53	0.0	-72.85	392.16	0.91	-71.94
CC1=C[NH+]=CN1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030533911	1	47	0.0	-71.97	367.24	3.55	-68.42
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1CO	REAL300030533947	0	53	0.0	-66.00	372.30	2.56	-63.44
C[NH+](C)C1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030533969	0	58	0.0	-69.59	407.77	3.81	-65.78
C[N@@H+]1CCC(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030533972	0	52	0.0	-72.39	383.17	2.94	-69.45
C[N@H+]1CCC(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030533972	1	52	0.0	-69.04	382.99	2.88	-66.16
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030533983	0	51	0.0	-77.74	382.17	1.58	-76.16
CCC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1)[NH+](C)C	REAL300030533988	0	51	0.0	-63.82	366.78	1.92	-61.90
C[NH+](C)C1(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)CCCC1	REAL300030533999	0	58	0.0	-73.26	400.84	3.24	-70.02
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC1CO	REAL300030534035	1	47	0.0	-78.58	360.58	4.33	-74.25
C[NH+](C)CCCCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030534081	0	54	0.0	-74.83	405.11	3.37	-71.46
CC(C)C(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1)[NH+](C)C	REAL300030534100	0	54	0.0	-60.11	379.01	2.27	-57.84
CCC[N@H+](C)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030534102	0	54	0.0	-70.19	398.04	3.30	-66.89
CCC[N@@H+](C)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030534102	1	54	0.0	-74.98	400.18	3.27	-71.71
CCC[N@H+](C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030534107	0	51	0.0	-67.03	375.57	2.67	-64.36
CCC[N@@H+](C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030534107	1	51	0.0	-67.96	376.10	2.24	-65.72
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C23CC[N@H+](C2)CCC3)CC1CO	REAL300030534128	0	53	0.0	-76.83	371.98	2.14	-74.69
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1CO	REAL300030534128	1	53	0.0	-74.68	372.43	1.71	-72.97
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030534161	0	49	0.0	-69.93	358.49	1.84	-68.09
C[N@H+]1CCC[C@@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030534161	1	49	0.0	-70.34	364.10	1.99	-68.35
CCCCCC[N@H+](C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030534210	0	60	0.0	-68.07	440.06	5.01	-63.06
CCCCCC[N@@H+](C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030534210	1	60	0.0	-74.39	442.26	5.01	-69.38
CC[NH+](CC)C(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1)C(C)C	REAL300030534214	0	60	0.0	-68.09	410.89	3.17	-64.92
CC[NH+](CC)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030534222	0	51	0.0	-71.23	370.57	2.15	-69.08
CCC[N@@H+]1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030534253	0	58	0.0	-68.26	412.75	4.23	-64.03
CCC[N@H+]1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030534253	1	58	0.0	-74.09	417.14	3.93	-70.16
CC(C)[N@@H+]1CCOC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030534268	1	56	0.0	-77.04	403.90	2.32	-74.72
CC(C)[N@H+]1CCOC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030534268	1	56	0.0	-69.69	399.69	2.52	-67.17
CC1CC[NH+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)CC1	REAL300030534296	0	55	0.0	-68.86	399.46	3.33	-65.53
C[NH+]1CCC(OCC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)CC1	REAL300030534321	0	56	0.0	-76.81	418.48	3.41	-73.40
C[NH+](C)CC1(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)CC1	REAL300030534331	0	52	0.0	-73.14	381.46	2.66	-70.48
CC(C)[NH+]1CCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)CC1	REAL300030534399	0	58	0.0	-65.46	408.83	3.61	-61.85
C[NH+]1CCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)CC1	REAL300030534416	0	52	0.0	-71.33	380.00	2.72	-68.61
CC(C)[C@H](C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1)[NH+](C)C	REAL300030534434	0	54	0.0	-76.87	380.59	2.22	-74.65
CCC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1)[NH+](CC)CC	REAL300030534464	0	57	0.0	-60.10	400.12	3.08	-57.02
CC[N@H+](C)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030534518	0	51	0.0	-74.87	379.76	2.47	-72.40
CC[N@@H+](C)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030534518	1	51	0.0	-71.24	376.99	2.10	-69.14
CC1CCC[N@@H+]1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030534569	0	52	0.0	-69.72	383.52	2.93	-66.79
CC1CCC[N@H+]1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030534569	1	52	0.0	-70.21	385.07	2.99	-67.22
CC1CC[N@H+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030534571	0	52	0.0	-72.33	384.50	2.86	-69.47
CC1CC[N@@H+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030534571	1	52	0.0	-66.24	381.74	3.00	-63.24
CC1(C)CC[N@H+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030534575	0	55	0.0	-72.14	404.15	3.42	-68.72
CC1(C)CC[N@@H+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030534575	1	55	0.0	-67.08	401.96	3.08	-64.00
C[N@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1)CC(C)(C)C	REAL300030534576	0	57	0.0	-67.20	404.16	3.64	-63.56
C[N@@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1)CC(C)(C)C	REAL300030534576	1	57	0.0	-66.99	406.73	3.43	-63.56
CC[C@@H](C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1)[NH+](C)C	REAL300030534584	0	51	0.0	-70.38	365.09	1.73	-68.65
C[NH+]1CCC(O)(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)CC1	REAL300030534733	0	56	0.0	-74.46	407.11	1.69	-72.77
C[NH+](C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030534744	0	45	0.0	-74.18	339.75	1.19	-72.99
O=C(C[NH+]1CCC(CO)CC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030534748	0	56	0.0	-69.24	410.82	0.02	-69.22
O=C(C[NH+]1CCCCCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030534749	0	55	0.0	-71.99	389.49	3.29	-68.70
CN1C=C[N+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)=C1	REAL300030534753	0	47	0.0	-70.15	370.92	4.71	-65.44
C[N@@H+]1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030534760	0	52	0.0	-61.82	373.01	2.61	-59.21
C[N@H+]1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030534760	1	52	0.0	-58.14	370.95	2.90	-55.24
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1CO	REAL300030534765	0	53	0.0	-68.38	394.78	3.45	-64.93
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCC[N@H+]2C2CC2)CC1CO	REAL300030534765	1	53	0.0	-69.63	382.93	2.95	-66.68
CC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1)[NH+]1CCC1	REAL300030534789	1	49	0.0	-65.09	360.99	1.49	-63.60
CCC(CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1)C[NH+](C)C	REAL300030534793	0	57	0.0	-75.56	410.67	3.74	-71.82
C[NH+](C)CC(C)(C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030534800	0	54	0.0	-70.37	380.08	2.19	-68.18
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC1CO	REAL300030534816	0	54	0.0	-61.80	381.94	3.44	-58.36
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CC1CO	REAL300030534816	1	54	0.0	-66.72	388.59	3.32	-63.40
O=C(C[NH+]1CCC(O)CC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030534824	1	53	0.0	-72.39	390.22	-0.63	-73.02
C[N@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1)C1CC1	REAL300030534825	0	49	0.0	-66.05	366.16	2.25	-63.80
C[N@@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1)C1CC1	REAL300030534825	1	49	0.0	-65.35	366.29	2.26	-63.09
CC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1)N1CC[NH+](C)CC1	REAL300030534826	1	57	0.0	-72.64	410.19	0.74	-71.90
C[NH+]1CC(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030534844	0	49	0.0	-74.53	369.85	2.11	-72.42
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC[N@@H+]2C2CCCC2)CC1CO	REAL300030534848	0	56	0.0	-70.15	407.26	4.18	-65.97
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC[N@H+]2C2CCCC2)CC1CO	REAL300030534848	1	56	0.0	-68.41	400.43	3.65	-64.76
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030534856	0	55	0.0	-67.65	377.17	2.28	-65.37
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030534856	1	55	0.0	-69.74	383.28	2.64	-67.10
C[C@@H](C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1)[NH+](C)C	REAL300030534867	0	48	0.0	-66.31	352.86	1.05	-65.26
CCC1CCC[N@H+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030534902	0	58	0.0	-73.00	412.81	4.39	-68.61
CCC1CCC[N@@H+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030534902	1	58	0.0	-72.79	419.80	4.43	-68.36
C[NH+](C)CC1=CC=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)N1	REAL300030534909	0	53	0.0	-76.43	399.88	2.88	-73.55
[NH2+]=C1SC=CN1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030534950	0	45	0.0	-68.56	365.60	1.43	-67.13
C[N@H+](CCO)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030534960	0	52	0.0	-73.94	389.04	-0.70	-74.64
C[N@@H+](CCO)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030534960	1	52	0.0	-67.94	387.07	-0.68	-68.62
C[C@@H](C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1)[NH+](C)C	REAL300030534961	0	48	0.0	-66.31	352.86	1.05	-65.26
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030534965	0	52	0.0	-70.30	369.27	2.33	-67.97
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030534965	1	52	0.0	-67.67	374.23	2.66	-65.01
CC1CN2CC[N@@H+]1CC2C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030534973	0	55	0.0	-70.97	388.65	-0.11	-71.08
CC1CN2CC[N@H+]1CC2C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030534973	1	55	0.0	-77.31	382.58	-0.39	-77.70
O=C(CC1=CC2=C[NH+]=CN2C=C1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535014	0	50	0.0	-72.08	394.10	5.42	-66.66
C[N@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1)C1CCSC1	REAL300030535036	0	53	0.0	-76.79	396.37	3.07	-73.72
C[N@@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1)C1CCSC1	REAL300030535036	1	53	0.0	-68.72	395.73	3.54	-65.18
O=C(C[NH+]1CCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535037	1	46	0.0	-66.87	346.72	1.74	-65.13
C[N@@H+]1CCC(=CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030535065	0	50	0.0	-73.55	376.82	2.45	-71.10
C[N@H+]1CCC(=CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030535065	1	50	0.0	-75.49	376.77	2.56	-72.93
C[NH+](C)CCOCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535098	0	52	0.0	-72.43	395.46	2.33	-70.10
CCCCC[N@H+](C)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535103	0	60	0.0	-70.96	441.05	4.86	-66.10
CCCCC[N@@H+](C)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535103	1	60	0.0	-76.00	443.18	4.83	-71.17
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)O1	REAL300030535112	0	56	0.0	-73.20	414.88	3.04	-70.16
C=CCC(C)(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1)[NH+](C)C	REAL300030535119	0	55	0.0	-67.03	374.82	2.73	-64.30
C[S+](C)CCC(O)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535123	0	51	0.0	-65.44	393.03	0.31	-65.13
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535148	0	53	0.0	-65.64	370.34	-2.29	-67.93
CN1CC[N@H+](C)CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030535158	0	57	0.0	-71.35	409.80	0.90	-70.45
CN1CC[N@@H+](C)CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030535158	1	57	0.0	-71.35	409.80	0.90	-70.45
CC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1)[N@@H+]1CCCC(O)C1	REAL300030535159	0	56	0.0	-66.39	404.37	0.03	-66.36
C[N@@H+]1CCCC(O)(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030535177	0	56	0.0	-69.68	407.39	1.25	-68.43
C[N@H+]1CCCC(O)(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030535177	1	56	0.0	-69.68	407.39	1.25	-68.43
CC1CN(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030535180	0	49	0.0	-73.31	370.93	2.32	-70.99
CC1C[NH+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030535180	1	49	0.0	-73.31	370.93	2.32	-70.99
CN(CCO)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535206	0	49	0.0	-67.56	364.95	-1.74	-69.30
C[N@H+](CCO)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535206	1	49	0.0	-68.51	364.67	-1.31	-69.82
C[N@@H+](CCO)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535206	1	49	0.0	-68.51	364.67	-1.31	-69.82
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2C[N@@H+]3CCN2CCC3)CC1CO	REAL300030535228	0	55	0.0	-79.35	383.29	0.53	-78.82
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2C[N@H+]3CCN2CCC3)CC1CO	REAL300030535228	1	55	0.0	-79.35	383.29	0.53	-78.82
CC[N@@H+]1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030535234	0	55	0.0	-63.98	397.15	3.35	-60.63
CC[N@H+]1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030535234	1	55	0.0	-63.98	397.15	3.35	-60.63
CC(CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1)C[NH+](C)C	REAL300030535236	0	54	0.0	-75.12	396.87	3.26	-71.86
CC[N@H+](C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535246	0	48	0.0	-72.75	356.27	1.92	-70.83
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C23CCC[N@@H+]2CCCC3)CC1CO	REAL300030535267	0	56	0.0	-66.52	380.13	2.83	-63.69
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C23CCC[N@H+]2CCCC3)CC1CO	REAL300030535267	1	56	0.0	-66.52	380.13	2.83	-63.69
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C23CCC[N@@H+]2CC=CC3)CC1CO	REAL300030535272	0	54	0.0	-66.21	376.42	2.58	-63.63
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C23CCC[N@H+]2CC=CC3)CC1CO	REAL300030535272	1	54	0.0	-66.21	376.42	2.58	-63.63
CC[N@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1)C1CC1	REAL300030535292	0	52	0.0	-65.77	382.56	2.83	-62.94
CC[NH+](CC)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535307	0	54	0.0	-73.95	397.37	3.18	-70.77
CC1(C)CN(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030535327	0	52	0.0	-68.03	387.56	2.36	-65.67
CC1(C)C[NH+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030535327	1	52	0.0	-68.03	387.56	2.36	-65.67
CC1(O)CC[N@H+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030535351	0	53	0.0	-64.77	392.28	-0.35	-65.12
C[NH+](C)CC=CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535358	0	49	0.0	-72.67	373.94	2.15	-70.52
CC(OCC[NH+](C)C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535377	0	55	0.0	-74.08	411.95	2.82	-71.26
C[NH+](C)CCOCCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535385	0	55	0.0	-72.31	416.50	2.07	-70.24
COCCN(C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535386	0	52	0.0	-69.50	386.92	1.09	-68.41
COCC[N@H+](C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535386	1	52	0.0	-67.55	387.21	0.66	-66.89
COCC[N@@H+](C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535386	1	52	0.0	-67.55	387.21	0.66	-66.89
C[NH+](C)C1(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)CCCC1	REAL300030535415	0	55	0.0	-69.20	378.63	3.01	-66.19
CC(CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1)[NH+](C)C	REAL300030535418	0	54	0.0	-73.18	396.83	3.02	-70.16
CCN1CCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535425	0	49	0.0	-69.98	362.29	1.98	-68.00
CC[N@@H+]1CCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535425	1	49	0.0	-68.78	367.18	1.77	-67.01
CC[N@H+]1CCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535425	1	49	0.0	-68.78	367.18	1.77	-67.01
CC(C)[N@@H+]1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030535435	0	58	0.0	-62.97	408.29	3.70	-59.27
CC(C)[N@H+]1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030535435	1	58	0.0	-62.97	408.29	3.70	-59.27
O=C(C[N@H+]1CCCC1CO)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535447	0	53	0.0	-68.14	382.70	-0.60	-68.74
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC1CO	REAL300030535469	0	56	0.0	-64.38	404.38	3.53	-60.85
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC3CCCC[N@H+]3C2)CC1CO	REAL300030535469	1	56	0.0	-64.38	404.38	3.53	-60.85
C[NH+]1CCC(C)(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)CC1	REAL300030535475	0	55	0.0	-75.62	385.21	2.74	-72.88
C=CCC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1)[NH+](C)C	REAL300030535502	0	52	0.0	-71.02	382.33	2.57	-68.45
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535512	0	55	0.0	-70.87	395.84	3.03	-67.84
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535512	1	55	0.0	-70.87	395.84	3.03	-67.84
C[NH+](C)CCCCCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535515	0	57	0.0	-73.76	426.61	4.15	-69.61
CC1C[N@@H+]2CCN1C(C(=O)N1CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C1)C2	REAL300030535548	0	55	0.0	-85.72	386.91	-0.03	-85.75
CCCC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1)[NH+](C)C	REAL300030535549	0	54	0.0	-71.72	390.33	2.86	-68.86
C[NH+](C)C(C)(C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535553	0	51	0.0	-70.54	348.86	1.78	-68.76
C[N@@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535591	0	52	0.0	-70.40	369.12	2.35	-68.05
C[N@H+]1CC=C(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)CC1	REAL300030535624	0	53	0.0	-68.36	396.02	3.20	-65.16
C[N@@H+]1CC=C(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)CC1	REAL300030535624	1	53	0.0	-68.36	396.02	3.20	-65.16
O=C(CC1([NH+]2CCCC2)CC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535633	0	56	0.0	-69.81	404.81	3.90	-65.91
CN(C)CC1=CC=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)O1	REAL300030535675	0	52	0.0	-83.92	398.91	2.69	-81.23
C[NH+](C)CC1=CC=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)O1	REAL300030535675	1	52	0.0	-83.92	398.91	2.69	-81.23
O=C(C=CC[NH+]1CCCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535691	0	53	0.0	-74.69	400.35	3.76	-70.93
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1CO	REAL300030535711	0	56	0.0	-68.73	404.88	3.60	-65.13
O=C(CC[NH+]1CCCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535731	0	52	0.0	-70.25	385.22	2.61	-67.64
C[N@@H+]1CC2CC1(C(=O)N1CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C1)C2	REAL300030535773	0	50	0.0	-77.58	360.12	1.58	-76.00
O=C(C[N@@H+]1CC2CCC1C2)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535785	0	53	0.0	-67.92	381.27	2.80	-65.12
O=C(C[N@H+]1CC2CCC1C2)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535785	1	53	0.0	-67.92	381.27	2.80	-65.12
O=C(C=C1C[NH+]2CCC1CC2)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535822	0	54	0.0	-66.63	394.37	3.34	-63.29
O=C(CN1CC2C=CC1C2)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535832	0	51	0.0	-66.38	376.00	2.80	-63.58
O=C(C[N@@H+]1CC2C=CC1C2)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535832	1	51	0.0	-66.52	375.60	3.25	-63.27
O=C(C[N@H+]1CC2C=CC1C2)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535832	1	51	0.0	-66.52	375.60	3.25	-63.27
CC[NH+]1CCN(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)CC1	REAL300030535861	0	57	0.0	-66.77	413.07	1.44	-65.33
CC(C[NH+](C)C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535877	0	51	0.0	-68.60	374.52	1.98	-66.62
C[N@@H+]1CCCCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535942	0	55	0.0	-74.86	398.06	3.53	-71.33
C[N@H+]1CCCCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535942	1	55	0.0	-53.97	388.44	3.34	-50.63
CC1=C2C=C(C(=O)N3CCCN(C(=O)C4=CC(=O)[N-]O4)C(CO)C3)C=CN2C=[NH+]1	REAL300030535958	1	50	0.0	-76.60	382.45	4.89	-71.71
CC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1)[NH+]1CC(C)C1	REAL300030535959	0	52	0.0	-69.65	380.69	2.70	-66.95
CC1CC[N@@H+]1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535962	1	49	0.0	-71.44	370.43	2.29	-69.15
CC1CC[N@H+]1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535962	1	49	0.0	-64.51	367.73	2.36	-62.15
C[NH+](C)CC(O)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535965	0	52	0.0	-78.05	392.26	0.25	-77.80
CC1C[N@H+](C)CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)O1	REAL300030535991	1	53	0.0	-78.44	386.86	1.93	-76.51
CC1C[N@@H+](C)CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)O1	REAL300030535991	1	53	0.0	-70.12	386.68	2.14	-67.98
O=C(CC[NH+]1CCC(O)CC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030536000	0	56	0.0	-73.06	411.53	-0.07	-73.13
CCC[N@@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030536002	0	58	0.0	-70.64	411.06	3.99	-66.65
CCC[N@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030536002	1	58	0.0	-69.35	407.92	3.66	-65.69
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030536066	0	52	0.0	-74.70	383.91	2.82	-71.88
CC(CC[NH+](C)C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030536074	0	54	0.0	-69.61	396.18	2.61	-67.00
C[N@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1)[C@@H]1CCC[C@H]1O	REAL300030536094	0	56	0.0	-68.07	409.49	0.72	-67.35
C[N@@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1)[C@@H]1CCC[C@H]1O	REAL300030536094	1	56	0.0	-70.43	408.80	0.51	-69.92
C#CC[N@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030536100	1	54	0.0	-68.14	404.35	3.93	-64.21
C#CC[N@@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030536100	1	54	0.0	-61.78	393.32	3.20	-58.58
C[NH+]1CCN(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)CC1	REAL300030536103	1	54	0.0	-67.51	395.33	0.76	-66.75
CC[NH+]1CCN(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)CC1	REAL300030536112	0	57	0.0	-66.77	413.07	1.44	-65.33
NC(=[NH2+])SCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030536135	0	43	0.0	-74.15	348.28	-1.84	-75.99
CC[N@@H+]1CCOCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030536168	0	56	0.0	-73.37	402.36	1.59	-71.78
C[NH+](C)C1CCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)CC1	REAL300030536183	0	58	0.0	-50.80	407.38	3.82	-46.98
C[NH+](C)CCC1(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)CC1	REAL300030536184	0	55	0.0	-70.05	406.96	3.61	-66.44
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)CC1	REAL300030536186	0	58	0.0	-74.02	407.65	3.36	-70.66
C[N@@H+]1CC=CCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030536187	0	53	0.0	-73.98	387.02	3.35	-70.63
C[N@H+]1CC=CCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030536187	1	53	0.0	-73.98	387.02	3.35	-70.63
C[C@@H](OCC[NH+](C)C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030536208	0	55	0.0	-62.19	411.13	2.38	-59.81
C[NH+]1C2CCC1CC(C(=O)N1CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C1)C2	REAL300030536233	0	56	0.0	-70.44	385.28	2.33	-68.11
CC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1)[NH+]1CCSCC1	REAL300030536331	1	53	0.0	-71.52	390.75	3.00	-68.52
CCC1C[NH+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030536333	1	52	0.0	-74.28	392.30	3.08	-71.20
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2([NH+]3CCCC3)CCC2)CC1CO	REAL300030536335	0	56	0.0	-65.66	388.54	3.49	-62.17
C[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030536342	1	49	0.0	-58.40	356.52	1.77	-56.63
O=C(CC[N@H+]1CCC(F)C1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030536349	1	52	0.0	-72.76	390.84	3.08	-69.68
COC1C[N@@H+](C)C(C)(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C1	REAL300030536357	1	56	0.0	-67.10	399.33	1.13	-65.97
O=C(CC[NH+]1CCCCCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030536365	0	58	0.0	-75.69	412.56	3.91	-71.78
O=C(C[NH+]1CCCCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030536367	0	52	0.0	-68.03	378.61	2.69	-65.34
CC1C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)CC[N@@H+]1C	REAL300030536377	0	52	0.0	-69.48	377.56	1.94	-67.54
CC1C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)CC[N@H+]1C	REAL300030536377	1	52	0.0	-73.72	378.44	2.45	-71.27
C[N@@H+]1CCCCC1CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030536379	0	58	0.0	-75.03	413.13	3.97	-71.06
C[N@H+]1CCCCC1CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030536379	1	58	0.0	-75.22	413.66	3.97	-71.25
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC[N@@H+]3CCOCC23)CC1CO	REAL300030536401	0	54	0.0	-69.38	390.67	1.56	-67.82
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC[N@H+]3CCOCC23)CC1CO	REAL300030536401	1	54	0.0	-69.64	390.23	1.77	-67.87
CC1=[NH+]C=C2C=CC(C(=O)N3CCCN(C(=O)C4=CC(=O)[N-]O4)C(CO)C3)=CN21	REAL300030536406	0	50	0.0	-69.62	392.73	4.28	-65.34
CN1CCOCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030536419	0	53	0.0	-71.21	382.75	0.95	-70.26
C[N@@H+]1CCOCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030536419	1	53	0.0	-69.30	379.81	0.96	-68.34
C[N@H+]1CCOCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030536419	1	53	0.0	-71.21	382.75	0.95	-70.26
CC1=C(C)[NH+]=C(CCC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)N1	REAL300030536426	1	53	0.0	-63.62	407.63	2.65	-60.97
C[N@H+]1CCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030536596	1	49	0.0	-57.13	359.40	2.02	-55.11
CC1=[NH+]C=CN1CCCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030536779	1	53	0.0	-67.41	409.65	4.26	-63.15
O=C(CC[NH+]1CCOCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030536783	1	53	0.0	-74.83	393.95	1.37	-73.46
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C(CO)C1	REAL300030536805	1	47	0.0	-77.28	364.37	5.05	-72.23
C[NH+](C)C1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C1	REAL300030536847	0	58	0.0	-65.91	398.30	3.99	-61.92
C[N@@H+]1CCC(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C1	REAL300030536850	0	52	0.0	-71.95	382.25	3.35	-68.60
C[N@H+]1CCC(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C1	REAL300030536850	1	52	0.0	-64.90	383.18	2.83	-62.07
CCC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO)[NH+](C)C	REAL300030536864	0	51	0.0	-66.88	364.74	1.98	-64.90
C[NH+](C)CCCCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030536914	0	54	0.0	-71.78	404.05	3.48	-68.30
CCC[N@H+](C)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030536933	0	54	0.0	-64.45	399.09	3.08	-61.37
CCC[N@@H+](C)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030536933	1	54	0.0	-72.95	400.16	3.29	-69.66
CCC[N@H+](C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030536937	0	51	0.0	-71.83	375.19	3.16	-68.67
CCC[N@@H+](C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030536937	1	51	0.0	-71.67	375.19	3.16	-68.51
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C23CC[N@H+](C2)CCC3)C(CO)C1	REAL300030536953	0	53	0.0	-75.34	363.69	2.42	-72.92
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C23CC[N@@H+](C2)CCC3)C(CO)C1	REAL300030536953	1	53	0.0	-65.79	363.04	2.56	-63.23
CCCCCC[N@H+](C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030536972	0	60	0.0	-73.04	439.68	5.50	-67.54
CCCCCC[N@@H+](C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030536972	1	60	0.0	-65.02	438.48	5.46	-59.56
CC1CC[NH+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030537003	0	55	0.0	-71.27	398.03	4.32	-66.95
C[NH+]1CCC(OCC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030537023	0	56	0.0	-74.10	418.63	3.14	-70.96
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC3CCCC[N@@H+]3C2)C(CO)C1	REAL300030537056	0	56	0.0	-74.34	399.87	4.43	-69.91
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC3CCCC[N@H+]3C2)C(CO)C1	REAL300030537056	1	56	0.0	-64.70	397.04	4.29	-60.41
C[NH+](C)CC1(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030537065	0	52	0.0	-73.19	381.81	3.32	-69.87
CC(C)[NH+]1CCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030537075	0	58	0.0	-70.02	405.13	4.29	-65.73
CC[N@H+](C)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030537093	0	51	0.0	-71.99	378.78	2.58	-69.41
CC[N@@H+](C)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030537093	1	51	0.0	-72.20	378.66	2.55	-69.65
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2C[NH+]3CCC2CC3)C(CO)C1	REAL300030537118	0	53	0.0	-59.22	367.28	3.06	-56.16
C[NH+]1CCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030537177	0	52	0.0	-73.91	380.75	2.67	-71.24
CC[NH+](CC)CC(F)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030537257	0	54	0.0	-70.01	396.46	3.85	-66.16
CC(C)C[N@@H+]1CCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C1	REAL300030537278	0	58	0.0	-70.37	420.92	3.96	-66.41
CC(C)C[N@H+]1CCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C1	REAL300030537278	1	58	0.0	-61.12	414.12	3.60	-57.52
CCC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO)[NH+](CC)CC	REAL300030537301	0	57	0.0	-64.97	397.71	3.88	-61.09
CC1CCC[N@@H+]1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030537316	0	52	0.0	-67.56	374.41	3.15	-64.41
CC1CCC[N@H+]1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030537316	1	52	0.0	-67.42	374.46	3.16	-64.26
CC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO)[NH+]1CCCCCC1	REAL300030537360	0	58	0.0	-66.20	404.74	3.75	-62.45
CC(C)[N@@H+]1CCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030537378	0	55	0.0	-67.57	381.87	3.85	-63.72
CC(C)[N@H+]1CCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030537378	1	55	0.0	-65.47	373.31	3.03	-62.44
CC(C)[N@@H+]1CCCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030537383	0	58	0.0	-69.15	405.50	4.13	-65.02
CC(C)[N@H+]1CCCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030537383	1	58	0.0	-66.22	412.44	4.43	-61.79
CC1CC[N@H+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C1	REAL300030537409	0	52	0.0	-69.72	384.35	2.94	-66.78
CC1CC[N@@H+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C1	REAL300030537409	1	52	0.0	-58.60	382.12	2.91	-55.69
CC1(C)CC[N@H+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C1	REAL300030537412	0	55	0.0	-58.29	402.04	3.44	-54.85
CC1(C)CC[N@@H+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C1	REAL300030537412	1	55	0.0	-63.18	400.52	4.01	-59.17
C[N@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO)CC(C)(C)C	REAL300030537413	0	57	0.0	-60.17	408.73	3.71	-56.46
C[N@@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO)CC(C)(C)C	REAL300030537413	1	57	0.0	-69.11	407.85	4.44	-64.67
CC[C@@H](C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO)[NH+](C)C	REAL300030537420	0	51	0.0	-69.63	365.06	2.74	-66.89
CC1=[NH+]C=CN1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030537584	1	47	0.0	-67.56	365.40	3.48	-64.08
CC(C[NH+]1CCOCC1)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030537585	1	56	0.0	-73.85	404.95	2.51	-71.34
O=C(CCC[NH+]1CCCCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030537598	0	58	0.0	-70.93	424.18	4.59	-66.34
C[NH+](C)CC1=CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)=NO1	REAL300030537607	1	51	0.0	-72.48	393.74	2.21	-70.27
CC1=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C=CC2=C[NH+]=CN21	REAL300030537608	0	50	0.0	-77.85	385.22	5.43	-72.42
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030537637	1	53	0.0	-58.72	402.28	3.67	-55.05
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCCC3CCC[N@@H+]32)C(CO)C1	REAL300030537665	0	56	0.0	-63.50	394.93	4.49	-59.01
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCCC3CCC[N@H+]32)C(CO)C1	REAL300030537665	1	56	0.0	-58.15	386.05	3.76	-54.39
CC[N@@H+]1CCOC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C1	REAL300030537678	1	53	0.0	-73.67	384.60	2.23	-71.44
CC[N@H+]1CCOC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C1	REAL300030537678	1	53	0.0	-81.08	385.26	2.30	-78.78
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C(CO)C1	REAL300030537714	0	47	0.0	-71.49	358.30	4.86	-66.63
CC1=C[NH+]=CN1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030537719	1	47	0.0	-59.70	368.21	3.18	-56.52
C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC[N@@H+]1C	REAL300030537730	0	52	0.0	-73.11	370.11	2.85	-70.26
C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC[N@H+]1C	REAL300030537730	1	52	0.0	-61.49	372.01	2.82	-58.67
CC[C@@H]1[C@@H](C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC[N@@H+]1C	REAL300030537733	0	55	0.0	-72.22	388.63	3.31	-68.91
CC[C@@H]1[C@@H](C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC[N@H+]1C	REAL300030537733	1	55	0.0	-62.92	392.19	3.53	-59.39
CC1CCC(C)[NH+]1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030537741	0	55	0.0	-65.53	395.66	3.16	-62.37
O=C(CCC[NH+]1CCCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030537747	0	55	0.0	-70.68	408.50	3.88	-66.80
C#CC[NH+]1CCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030537752	0	54	0.0	-75.82	401.33	4.44	-71.38
O=C(CC[NH+]1CCCCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030537753	0	55	0.0	-71.34	402.68	3.79	-67.55
C[NH+](C)C1(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CCCC1	REAL300030537785	0	58	0.0	-68.58	397.67	4.02	-64.56
C[N@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO)C1CCC1	REAL300030537892	0	52	0.0	-69.50	382.05	3.73	-65.77
C[N@@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO)C1CCC1	REAL300030537892	1	52	0.0	-63.62	381.64	3.74	-59.88
CC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO)[NH+]1C(C)CCC1C	REAL300030537909	0	58	0.0	-65.55	389.38	3.26	-62.29
O=C(CCCC[NH+]1CCCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030537921	0	58	0.0	-70.36	430.01	4.66	-65.70
C[NH+]1CCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030537932	0	52	0.0	-73.91	380.75	2.67	-71.24
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030537960	0	49	0.0	-65.91	352.89	1.61	-64.30
C[N@H+]1CCC[C@@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030537960	1	49	0.0	-68.81	357.51	2.69	-66.12
C[N@@H+]1CCCC1CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030537983	0	55	0.0	-70.06	400.30	3.48	-66.58
C[N@H+]1CCCC1CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030537983	1	55	0.0	-69.87	400.45	3.37	-66.50
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCC3CCCC[N@@H+]32)C(CO)C1	REAL300030537992	0	56	0.0	-64.95	401.02	4.77	-60.18
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCC3CCCC[N@H+]32)C(CO)C1	REAL300030537992	1	56	0.0	-64.37	404.35	3.93	-60.44
CCC[N@@H+]1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C1	REAL300030538044	0	58	0.0	-70.81	414.12	4.54	-66.27
CCC[N@H+]1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C1	REAL300030538044	1	58	0.0	-64.80	406.86	4.62	-60.18
CC(C)[N@@H+]1CCOC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C1	REAL300030538055	1	56	0.0	-76.85	402.94	2.82	-74.03
CC(C)[N@H+]1CCOC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C1	REAL300030538055	1	56	0.0	-75.13	402.68	2.70	-72.43
O=C(C[NH+]1CCC(CO)CC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538102	0	56	0.0	-73.69	409.26	1.01	-72.68
CC1C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC[N@@H+]1C	REAL300030538140	0	52	0.0	-71.92	373.13	3.40	-68.52
CC1C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC[N@H+]1C	REAL300030538140	1	52	0.0	-72.85	365.46	2.52	-70.33
C[N@@H+]1CCCCC1CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538142	0	58	0.0	-63.36	420.25	3.94	-59.42
C[N@H+]1CCCCC1CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538142	1	58	0.0	-72.51	412.73	4.05	-68.46
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538207	0	55	0.0	-63.37	377.35	2.33	-61.04
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538207	1	55	0.0	-58.42	369.39	1.95	-56.47
C[C@@H](C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO)[NH+](C)C	REAL300030538224	0	48	0.0	-66.99	342.69	1.86	-65.13
C=CCC(C)(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO)[NH+](C)C	REAL300030538238	0	55	0.0	-66.82	378.17	3.46	-63.36
O=C(CC[NH+]1CCCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538259	0	52	0.0	-72.79	382.61	3.58	-69.21
C[N@H+](CCO)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538268	1	49	0.0	-63.19	362.84	-0.86	-64.05
C[N@@H+](CCO)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538268	1	49	0.0	-63.28	367.48	-1.65	-64.93
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2C[N@@H+]3CCN2CCC3)C(CO)C1	REAL300030538300	0	55	0.0	-71.95	379.93	0.90	-71.05
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2C[N@H+]3CCN2CCC3)C(CO)C1	REAL300030538300	1	55	0.0	-62.41	378.20	0.83	-61.58
CC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO)[NH+]1CCSCC1	REAL300030538317	1	53	0.0	-70.89	389.57	2.75	-68.14
C[N@H+]1CC=C(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030538344	0	53	0.0	-68.24	394.02	4.19	-64.05
C[N@@H+]1CC=C(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030538344	1	53	0.0	-64.63	396.88	3.28	-61.35
C[S+](C)CCC(O)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538355	0	51	0.0	-70.39	397.66	0.88	-69.51
CN1CC[N@H+](C)CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C1	REAL300030538380	0	57	0.0	-68.15	404.47	1.30	-66.85
CN1CC[N@@H+](C)CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C1	REAL300030538380	1	57	0.0	-68.08	406.89	1.56	-66.52
CC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO)[N@@H+]1CCCC(O)C1	REAL300030538381	0	56	0.0	-66.58	400.61	0.61	-65.97
CC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO)[N@H+]1CCCC(O)C1	REAL300030538381	1	56	0.0	-67.38	402.24	0.37	-67.01
C[N@@H+]1CCCC(O)(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C1	REAL300030538409	0	56	0.0	-66.94	399.47	0.97	-65.97
C[N@H+]1CCCC(O)(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C1	REAL300030538409	1	56	0.0	-69.65	393.38	1.71	-67.94
CC1C[NH+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C1	REAL300030538413	1	49	0.0	-61.36	368.99	2.00	-59.36
CC[N@@H+]1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C1	REAL300030538417	0	55	0.0	-60.45	387.17	4.06	-56.39
CC[N@H+]1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C1	REAL300030538417	1	55	0.0	-64.82	387.82	4.18	-60.64
NC1=[NH+]C=CC=C1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538423	0	48	0.0	-67.82	370.21	1.69	-66.13
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCC[N@@H+]2C2CC2)C(CO)C1	REAL300030538431	0	53	0.0	-69.83	383.89	3.52	-66.31
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CCC[N@H+]2C2CC2)C(CO)C1	REAL300030538431	1	53	0.0	-65.95	374.02	3.26	-62.69
O=C(C=CC[NH+]1CCCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538463	0	53	0.0	-72.34	400.45	3.73	-68.61
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC[NH+](C3CC3)CC2)C(CO)C1	REAL300030538481	0	56	0.0	-69.96	403.90	4.74	-65.22
CC[N@H+](C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538512	0	48	0.0	-61.68	357.24	1.47	-60.21
O=C(CN1CC2C=CC1C2)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538551	0	51	0.0	-67.77	375.22	3.75	-64.02
O=C(C[N@@H+]1CC2C=CC1C2)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538551	1	51	0.0	-62.42	373.96	3.75	-58.67
O=C(C[N@H+]1CC2C=CC1C2)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538551	1	51	0.0	-62.42	373.96	3.75	-58.67
CC(OCC[NH+](C)C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538664	0	55	0.0	-67.41	410.01	2.40	-65.01
C[NH+](C)CCOCCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538673	0	55	0.0	-69.49	412.70	2.72	-66.77
COCCN(C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538675	0	52	0.0	-71.79	386.34	1.58	-70.21
COCC[N@H+](C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538675	1	52	0.0	-63.06	385.09	1.54	-61.52
COCC[N@@H+](C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538675	1	52	0.0	-63.06	385.09	1.54	-61.52
CC(CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO)[NH+](C)C	REAL300030538680	0	54	0.0	-70.17	391.93	3.70	-66.47
CC[N@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO)C1CC1	REAL300030538701	0	52	0.0	-58.55	383.14	3.00	-55.55
CC1C[N@@H+]2CCN1C(C(=O)N1CCCN(C(=O)C3=CC(=O)[N-]O3)CC1CO)C2	REAL300030538711	0	55	0.0	-70.56	372.21	0.53	-70.03
O=C(C[N@@H+]1CC2CCC1C2)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538741	0	53	0.0	-65.45	381.85	3.90	-61.55
O=C(C[N@H+]1CC2CCC1C2)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538741	1	53	0.0	-65.45	381.85	3.90	-61.55
CC(C[NH+](C)C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538757	0	51	0.0	-73.03	372.16	3.04	-69.99
CCN1CCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538795	0	49	0.0	-59.66	361.67	1.89	-57.77
CC[N@@H+]1CCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538795	1	49	0.0	-59.22	367.00	2.17	-57.05
CC[N@H+]1CCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538795	1	49	0.0	-59.22	367.00	2.17	-57.05
CC(C)[N@@H+]1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C1	REAL300030538805	0	58	0.0	-59.96	399.39	4.45	-55.51
CC(C)[N@H+]1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C1	REAL300030538805	1	58	0.0	-59.96	399.39	4.45	-55.51
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538815	0	57	0.0	-67.74	399.25	2.22	-65.52
C#CC[N@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538851	1	54	0.0	-70.89	392.57	4.10	-66.79
C#CC[N@@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538851	1	54	0.0	-55.38	396.99	4.38	-51.00
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538852	1	51	0.0	-59.32	387.95	2.43	-56.89
NC1=CC=[NH+]C=C1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538853	0	45	0.0	-69.51	347.41	-0.21	-69.72
CCCC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO)[NH+](C)C	REAL300030538862	0	54	0.0	-69.07	388.49	3.70	-65.37
CC(CC[NH+](C)C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538883	0	54	0.0	-72.83	393.79	3.64	-69.19
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538962	0	55	0.0	-69.91	394.10	3.45	-66.46
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538962	1	55	0.0	-65.54	400.15	3.22	-62.32
C[NH+](C)CCCCCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538965	0	57	0.0	-70.78	425.54	4.27	-66.51
O=C(CC[NH+]1CCC(O)CC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538969	0	56	0.0	-75.24	413.31	0.41	-74.83
CCC[N@@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538972	0	58	0.0	-66.68	405.47	3.64	-63.04
CCC[N@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538972	1	58	0.0	-67.46	400.59	4.04	-63.42
C[NH+]1CCN(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030538980	1	54	0.0	-68.13	397.80	0.31	-67.82
CC1C[N@H+](C)CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)O1	REAL300030539058	1	53	0.0	-82.05	389.47	2.38	-79.67
CC1C[N@@H+](C)CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)O1	REAL300030539058	1	53	0.0	-72.43	378.03	1.86	-70.57
CCC1CCC[N@H+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C1	REAL300030539088	0	58	0.0	-70.68	412.19	4.47	-66.21
CCC1CCC[N@@H+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C1	REAL300030539088	1	58	0.0	-70.63	419.48	4.43	-66.20
C[NH+](C)CC1=CC=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)N1	REAL300030539096	0	53	0.0	-78.38	400.51	3.26	-75.12
O=C(C[NH+]1CC2CC2C1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539108	0	50	0.0	-65.75	370.12	3.58	-62.17
O=C(CC1([NH+]2CCCC2)CC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539120	0	56	0.0	-67.01	403.98	3.77	-63.24
C[N@@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539149	0	52	0.0	-65.43	374.94	3.31	-62.12
C[N@H+]1CCCCC1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539149	1	52	0.0	-69.35	365.47	2.69	-66.66
C[N@@H+]1CCC(=CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C1	REAL300030539236	0	50	0.0	-73.79	376.27	2.65	-71.14
C[N@H+]1CCC(=CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C1	REAL300030539236	1	50	0.0	-73.65	376.15	2.63	-71.02
O=C(CNC1=CC=[NH+]C=C1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539241	0	48	0.0	-68.76	374.39	0.58	-68.18
CC[NH+]1CCN(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030539286	0	57	0.0	-66.23	414.46	1.02	-65.21
O=C(C=C1C[NH+]2CCC1CC2)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539287	0	54	0.0	-65.33	390.63	4.16	-61.17
C[N@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO)[C@@H]1CCC[C@H]1O	REAL300030539323	0	56	0.0	-66.36	406.37	1.16	-65.20
C[N@@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO)[C@@H]1CCC[C@H]1O	REAL300030539323	1	56	0.0	-68.82	406.01	1.01	-67.81
C[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539336	0	49	0.0	-68.01	359.73	2.73	-65.28
C[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539336	1	49	0.0	-54.38	352.11	2.17	-52.21
CCN1CCOCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539359	0	56	0.0	-71.90	402.90	1.51	-70.39
CC[N@@H+]1CCOCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539359	1	56	0.0	-73.48	406.64	1.85	-71.63
CC[N@H+]1CCOCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539359	1	56	0.0	-73.48	406.64	1.85	-71.63
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C1	REAL300030539452	0	52	0.0	-69.91	383.22	3.49	-66.42
C[NH+](C)C1CCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030539465	0	58	0.0	-67.08	402.64	3.74	-63.34
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030539467	0	58	0.0	-51.72	398.10	4.00	-47.72
C[N@@H+]1CC=CCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539468	0	53	0.0	-65.15	384.83	3.26	-61.89
C[N@H+]1CC=CCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539468	1	53	0.0	-65.15	384.83	3.26	-61.89
C[NH+](C)CCOCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539518	0	52	0.0	-69.24	394.55	2.09	-67.15
CCCCC[N@H+](C)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539523	0	60	0.0	-64.75	442.09	4.65	-60.10
CCCCC[N@@H+](C)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539523	1	60	0.0	-64.75	442.09	4.65	-60.10
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)O1	REAL300030539533	0	56	0.0	-70.46	411.95	3.37	-67.09
[NH2+]=C1SC=CN1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539549	0	45	0.0	-60.25	366.58	1.05	-59.20
C[C@@H](OCC[NH+](C)C)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539605	0	55	0.0	-67.47	409.25	2.52	-64.95
O=C(CC[NH+]1CCCCCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539633	0	58	0.0	-73.13	412.70	3.98	-69.15
O=C(C[NH+]1CCCCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539636	0	52	0.0	-70.23	380.07	3.26	-66.97
C[N@@H+]1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C1	REAL300030539638	0	52	0.0	-60.26	364.16	3.20	-57.06
C[N@H+]1CCCC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C1	REAL300030539638	1	52	0.0	-60.74	367.94	3.33	-57.41
O=C(C[NH+]1CCC(CO)CC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539639	0	56	0.0	-73.69	409.26	1.01	-72.68
O=C(C[NH+]1CCCCCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539640	0	55	0.0	-70.30	389.31	3.44	-66.86
CN1C=C[N+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)=C1	REAL300030539645	0	47	0.0	-65.52	365.99	5.36	-60.16
C[NH+](C)CC1=CC=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)O1	REAL300030539657	1	52	0.0	-73.28	394.08	3.48	-69.80
O=C(C[NH+]1CCC(O)CC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539670	1	53	0.0	-74.97	388.68	0.30	-74.67
C[N@@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO)C1CC1	REAL300030539674	1	49	0.0	-68.16	368.08	2.65	-65.51
CC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO)N1CC[NH+](C)CC1	REAL300030539676	1	57	0.0	-70.02	401.16	1.23	-68.79
O=C(CC[N@H+]1CCC(F)C1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539678	1	52	0.0	-68.76	387.75	3.61	-65.15
CC(CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO)C[NH+](C)C	REAL300030539701	0	54	0.0	-71.75	395.87	3.30	-68.45
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC[N@@H+]3CCOCC23)C(CO)C1	REAL300030539713	0	54	0.0	-69.43	390.58	1.24	-68.19
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC[N@H+]3CCOCC23)C(CO)C1	REAL300030539713	1	54	0.0	-69.41	393.45	1.04	-68.37
CC1=[NH+]C=C2C=CC(C(=O)N3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3CO)=CN21	REAL300030539718	0	50	0.0	-66.24	385.71	4.71	-61.53
CN1CCOCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539731	0	53	0.0	-67.69	381.78	0.94	-66.75
C[N@@H+]1CCOCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539731	1	53	0.0	-76.41	386.14	1.63	-74.78
C[N@H+]1CCOCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539731	1	53	0.0	-67.69	381.78	0.94	-66.75
CC[NH+]1CCN(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030539737	0	57	0.0	-66.23	414.46	1.02	-65.21
CC1=CC(N)=[NH+]C=C1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539777	1	48	0.0	-62.09	361.52	0.90	-61.19
NC1=CC=C(CCC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C=[NH+]1	REAL300030539780	0	51	0.0	-68.35	397.70	1.85	-66.50
CC1(O)CC[N@@H+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C1	REAL300030539811	1	53	0.0	-61.40	389.41	0.09	-61.31
C[NH+]1CC(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C1	REAL300030539841	0	49	0.0	-71.48	370.12	2.17	-69.31
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC[N@H+]2C2CCCC2)C(CO)C1	REAL300030539845	1	56	0.0	-62.30	407.26	3.89	-58.41
C[NH+](C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539853	0	45	0.0	-71.37	338.68	1.23	-70.14
C[N@H+](CCO)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539879	0	52	0.0	-62.48	387.94	-0.88	-63.36
C[N@@H+](CCO)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539879	1	52	0.0	-71.59	388.90	-0.69	-72.28
C[C@@H](C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO)[NH+](C)C	REAL300030539880	0	48	0.0	-66.99	342.69	1.86	-65.13
C[N@@H+]1CCCCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539894	0	55	0.0	-52.68	390.75	3.00	-49.68
C[N@H+]1CCCCC1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539894	1	55	0.0	-65.35	390.34	3.42	-61.93
CC1=C2C=C(C(=O)N3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3CO)C=CN2C=[NH+]1	REAL300030539910	1	50	0.0	-76.03	386.44	5.62	-70.41
CC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO)[NH+]1CC(C)C1	REAL300030539911	1	52	0.0	-67.79	380.25	3.28	-64.51
CC1CC[N@@H+]1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539914	1	49	0.0	-67.07	366.35	2.92	-64.15
CC1CC[N@H+]1CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539914	1	49	0.0	-69.86	367.09	2.93	-66.93
C[NH+](C)CC=CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539922	0	49	0.0	-73.79	375.37	2.56	-71.23
CC1(C)C[NH+](CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C1	REAL300030539933	1	52	0.0	-70.48	389.39	2.83	-67.65
CC1=C(C)[NH+]=C(CCC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)N1	REAL300030539947	1	53	0.0	-58.33	407.75	2.40	-55.93
CC1=C2C=C(C(=O)N3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3CO)C=CN2C=[NH+]1	REAL300030539957	1	50	0.0	-76.03	386.44	5.62	-70.41
C[NH+](C)CCSCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539965	0	52	0.0	-73.61	405.57	3.32	-70.29
O=C(C[N@H+]1CCCC1CO)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539988	0	53	0.0	-61.62	388.04	0.28	-61.34
O=C(C[N@@H+]1CCCC1CO)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539988	1	53	0.0	-64.02	386.87	0.28	-63.74
CC[NH+](CC)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539992	0	51	0.0	-68.69	370.29	2.25	-66.44
C[N@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO)C1CCSC1	REAL300030540002	0	53	0.0	-69.39	394.10	3.96	-65.43
C[N@@H+](CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO)C1CCSC1	REAL300030540002	1	53	0.0	-76.42	398.01	3.47	-72.95
O=C(C[NH+]1CCC1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030540004	1	46	0.0	-66.35	344.16	2.25	-64.10
CC[NH+](CC)CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030540038	0	54	0.0	-71.62	388.75	3.61	-68.01
C[NH+](C)CC1=CNC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)=C1	REAL300030540087	0	53	0.0	-73.21	400.03	3.42	-69.79
CC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO)[NH+]1CCC(O)CC1	REAL300030540100	0	56	0.0	-69.33	398.04	-0.35	-69.68
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC3COCC[N@@H+]3C2)C(CO)C1	REAL300030540104	0	54	0.0	-68.26	389.42	1.96	-66.30
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC3COCC[N@H+]3C2)C(CO)C1	REAL300030540104	1	54	0.0	-66.46	389.72	2.01	-64.45
CC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO)[NH+]1CCC1	REAL300030540114	1	49	0.0	-62.50	361.23	2.69	-59.81
CCC(CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO)C[NH+](C)C	REAL300030540119	0	57	0.0	-71.72	406.45	4.39	-67.33
NC1=CC=C(C=CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C=[NH+]1	REAL300030540124	0	49	0.0	-71.57	385.00	1.52	-70.05
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030540169	0	52	0.0	-58.64	366.59	2.77	-55.87
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030540169	1	52	0.0	-67.20	372.52	3.35	-63.85
CC1CN2CC[N@@H+]1CC2C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030540181	0	55	0.0	-79.21	383.08	0.32	-78.89
CC1CN2CC[N@H+]1CC2C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030540181	1	55	0.0	-70.92	387.65	-0.29	-71.21
C[NH+](C)CC(O)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030540201	0	52	0.0	-74.57	388.21	0.52	-74.05
C[NH+]1C2CCC1CC(C(=O)N1CCCN(C(=O)C3=CC(=O)[N-]O3)CC1CO)C2	REAL300030540203	0	56	0.0	-68.53	379.38	3.12	-65.41
C=CCC(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO)[NH+](C)C	REAL300030540234	0	52	0.0	-68.70	380.21	3.47	-65.23
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC3CCCC[N@@H+]3C2)C(CO)C1	REAL300030540241	0	56	0.0	-74.34	399.87	4.43	-69.91
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC3CCCC[N@H+]3C2)C(CO)C1	REAL300030540241	1	56	0.0	-64.70	397.04	4.29	-60.41
C[NH+]1CCC(O)(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)CC1	REAL300030540250	0	56	0.0	-62.41	407.82	0.89	-61.52
CC1=C2C=C(C(=O)N3CCCN(C(=O)C4=CC(=O)[N-]O4)C(CO)C3)C=CN2C=[NH+]1	REAL300030540319	1	50	0.0	-76.60	382.45	4.89	-71.71
C[NH+](C)CCSCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030540328	0	52	0.0	-76.93	406.58	3.22	-73.71
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC3COCC[N@@H+]3C2)CC1CO	REAL300030540335	0	54	0.0	-67.10	394.25	1.66	-65.44
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2CC3COCC[N@H+]3C2)CC1CO	REAL300030540335	1	54	0.0	-70.61	396.24	1.14	-69.47
C[N@@H+]1CCCC1C(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030540499	0	48	0.0	-62.25	378.41	3.66	-58.59
C[N@H+]1CCCC1C(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030540499	1	48	0.0	-74.77	372.14	2.99	-71.78
C[N@@H+]1CCOC(C(=O)NCC2(C)CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030540523	1	49	0.0	-90.58	389.44	2.91	-87.67
C[N@H+]1CCOC(C(=O)NCC2(C)CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030540523	1	49	0.0	-56.60	382.37	2.99	-53.61
CC1=[NH+]C=CN1CC(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030540680	1	46	0.0	-60.59	381.98	4.21	-56.38
CC1(CNC(=O)C2C[NH+]3CCC2CC3)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030540696	0	52	0.0	-76.71	393.35	4.41	-72.30
C[C@@H]1[C@H](C(=O)NCC2(C)CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030540719	0	51	0.0	-79.37	389.25	3.86	-75.51
C[C@@H]1[C@H](C(=O)NCC2(C)CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030540719	1	51	0.0	-70.16	394.01	4.09	-66.07
C[NH+](C)C1(C(=O)NCC2(C)CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300030540768	0	51	0.0	-57.98	373.45	5.25	-52.73
CC(C)[C@@H](C(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030540771	0	53	0.0	-66.13	398.57	5.05	-61.08
C[N@H+](CC(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030540786	0	51	0.0	-61.65	398.65	4.58	-57.07
C[N@@H+](CC(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030540786	1	51	0.0	-62.81	398.90	4.63	-58.18
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030540827	1	50	0.0	-60.74	398.48	4.41	-56.33
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030540827	1	50	0.0	-63.96	404.93	4.82	-59.14
C[NH+]1CCC(C(=O)NCC2(C)CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030540844	0	51	0.0	-67.10	396.72	4.35	-62.75
C[N@@H+]1CCCCC1C(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030540863	0	51	0.0	-65.75	394.31	4.23	-61.52
C[N@H+]1CCCCC1C(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030540863	1	51	0.0	-66.58	384.58	4.06	-62.52
CC1=C[NH+]=CN1CC(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030540910	1	46	0.0	-66.87	382.31	4.93	-61.94
CC1(CNC(=O)C23CCC[NH+]2CCC3)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030540924	0	52	0.0	-68.58	396.88	4.62	-63.96
C[N@@H+]1CCC(CC(=O)NCC2(C)CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030540927	0	51	0.0	-80.12	398.57	4.03	-76.09
C[N@H+]1CCC(CC(=O)NCC2(C)CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030540927	1	51	0.0	-79.94	398.56	4.06	-75.88
CCC(C(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030540932	0	50	0.0	-60.65	382.44	3.53	-57.12
C[NH+](C)CCCCC(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030540968	0	53	0.0	-69.48	417.49	4.83	-64.65
CC(C)C(C(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030540975	0	53	0.0	-67.66	397.34	4.17	-63.49
CCC[N@H+](C)CCC(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030540976	0	53	0.0	-67.06	414.14	4.55	-62.51
CCC[N@@H+](C)CCC(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030540976	1	53	0.0	-66.63	414.14	4.56	-62.07
CCC[N@H+](C)CC(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030540977	0	50	0.0	-64.23	391.77	4.01	-60.22
CCC[N@@H+](C)CC(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030540977	1	50	0.0	-64.03	391.89	4.05	-59.98
CC1(CNC(=O)C23CC[N@H+](C2)CCC3)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030540984	0	52	0.0	-74.36	394.01	3.90	-70.46
CC1(CNC(=O)C23CC[N@@H+](C2)CCC3)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030540984	1	52	0.0	-73.70	393.31	3.91	-69.79
C[N@@H+]1CCC[C@@H]1C(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541002	0	48	0.0	-68.40	371.87	3.19	-65.21
C[N@H+]1CCC[C@@H]1C(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541002	1	48	0.0	-72.45	377.12	3.53	-68.92
CC[NH+](CC)CC(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541026	0	50	0.0	-65.40	382.93	3.58	-61.82
C[NH+](C)CC1(C(=O)NCC2(C)CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030541091	0	51	0.0	-61.99	390.34	4.75	-57.24
C[NH+]1CCC(C(=O)NCC2(C)CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030541132	0	51	0.0	-67.10	396.72	4.35	-62.75
CC(C)[C@H](C(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030541147	0	53	0.0	-72.33	401.16	4.55	-67.78
CC[N@H+](C)CCC(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541200	0	50	0.0	-66.36	392.64	3.82	-62.54
CC[N@@H+](C)CCC(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541200	1	50	0.0	-66.08	392.64	3.81	-62.27
CC1CCC[N@@H+]1CC(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541220	0	51	0.0	-62.73	397.03	4.29	-58.44
CC1CCC[N@H+]1CC(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541220	1	51	0.0	-62.37	397.85	4.36	-58.01
CC1CC[N@H+](CC(=O)NCC2(C)CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030541221	0	51	0.0	-64.53	397.37	4.36	-60.17
CC1CC[N@@H+](CC(=O)NCC2(C)CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030541221	1	51	0.0	-64.29	397.38	4.36	-59.93
CC[C@@H](C(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030541226	0	50	0.0	-66.36	385.23	3.72	-62.64
C[NH+](C)CC(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541286	0	44	0.0	-65.85	352.13	2.69	-63.16
CN1C=C[N+](CC(=O)NCC2(C)CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300030541289	0	46	0.0	-61.37	383.78	6.11	-55.26
C[N@@H+]1CCCC(C(=O)NCC2(C)CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030541292	0	51	0.0	-61.98	391.06	4.53	-57.45
C[N@H+]1CCCC(C(=O)NCC2(C)CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030541292	1	51	0.0	-63.08	390.33	4.50	-58.58
CC1(CNC(=O)C2CCC[N@@H+]2C2CC2)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541297	0	52	0.0	-60.26	409.59	5.21	-55.05
CC1(CNC(=O)C2CCC[N@H+]2C2CC2)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541297	1	52	0.0	-61.47	404.42	4.99	-56.48
CC(C(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030541307	1	48	0.0	-72.82	380.30	3.45	-69.37
C[NH+](C)CC(C)(C)C(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541315	0	53	0.0	-67.68	402.50	4.29	-63.39
C[N@H+](CC(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030541323	0	48	0.0	-61.73	381.95	4.00	-57.73
C[N@@H+](CC(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030541323	1	48	0.0	-62.62	381.95	4.00	-58.62
C[NH+]1CC(CC(=O)NCC2(C)CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030541336	0	48	0.0	-69.18	383.57	3.52	-65.66
C[C@@H](C(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030541353	0	47	0.0	-64.48	370.30	3.12	-61.36
C[N@H+](CCO)CCC(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541400	0	51	0.0	-65.18	402.99	0.59	-64.59
C[N@@H+](CCO)CCC(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541400	1	51	0.0	-67.14	402.74	0.62	-66.52
C[C@@H](C(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030541401	0	47	0.0	-64.48	370.30	3.12	-61.36
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541404	0	51	0.0	-62.56	384.64	3.99	-58.57
C[N@H+]1CCCC[C@@H]1C(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541404	1	51	0.0	-59.02	394.13	4.23	-54.79
C[N@@H+]1CCC(=CC(=O)NCC2(C)CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030541452	0	49	0.0	-69.66	390.62	4.26	-65.40
C[N@H+]1CCC(=CC(=O)NCC2(C)CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030541452	1	49	0.0	-79.89	391.01	3.97	-75.92
C[NH+](C)CCOCC(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541467	0	51	0.0	-65.57	408.00	3.75	-61.82
CC1CN(CC(=O)NCC2(C)CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030541503	0	48	0.0	-65.01	383.76	3.65	-61.36
CC1C[NH+](CC(=O)NCC2(C)CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030541503	1	48	0.0	-65.01	383.76	3.65	-61.36
CN(CCO)CC(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541517	0	48	0.0	-65.93	380.74	0.07	-65.86
C[N@H+](CCO)CC(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541517	1	48	0.0	-65.83	379.68	-0.03	-65.86
C[N@@H+](CCO)CC(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541517	1	48	0.0	-65.83	379.68	-0.03	-65.86
CC(CC(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030541532	0	53	0.0	-69.56	409.31	4.69	-64.87
CC[N@H+](C)CC(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541535	0	47	0.0	-63.75	370.39	3.30	-60.45
CC[N@H+](CC(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030541555	0	51	0.0	-62.27	397.26	4.23	-58.04
CC[NH+](CC)CCC(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541562	0	53	0.0	-67.49	405.38	4.13	-63.36
C[NH+](C)CC=CC(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541586	0	48	0.0	-71.80	389.35	3.94	-67.86
COCCN(C)CC(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541599	0	51	0.0	-65.26	401.93	2.37	-62.89
COCC[N@H+](C)CC(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541599	1	51	0.0	-65.99	402.99	2.47	-63.52
COCC[N@@H+](C)CC(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541599	1	51	0.0	-65.99	402.99	2.47	-63.52
CC(CCC(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030541616	0	53	0.0	-68.07	409.00	4.30	-63.77
CCN1CCC1C(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541622	0	48	0.0	-73.46	376.66	3.13	-70.33
CC[N@@H+]1CCC1C(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541622	1	48	0.0	-75.27	383.65	3.45	-71.82
CC[N@H+]1CCC1C(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541622	1	48	0.0	-75.27	383.65	3.45	-71.82
C=CCC(C(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030541655	0	51	0.0	-62.11	394.90	4.12	-57.99
CCCC(C(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030541676	0	53	0.0	-61.57	403.17	4.39	-57.18
C[NH+](C)C(C)(C)C(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541679	0	50	0.0	-62.03	379.46	3.82	-58.21
C[N@@H+]1CCCCC1C(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541695	0	51	0.0	-66.58	384.58	4.06	-62.52
C[N@H+]1CC=C(CC(=O)NCC2(C)CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030541712	0	52	0.0	-66.60	411.12	5.00	-61.60
C[N@@H+]1CC=C(CC(=O)NCC2(C)CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030541712	1	52	0.0	-66.60	411.12	5.00	-61.60
CC1(CNC(=O)C=CC[NH+]2CCCC2)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541739	0	52	0.0	-69.72	413.10	4.86	-64.86
CC1(CNC(=O)CC[NH+]2CCCC2)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541761	0	51	0.0	-65.72	399.27	4.21	-61.51
CC1(CNC(=O)C2C[NH+]3CCN2CC3)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541778	0	51	0.0	-76.07	388.70	1.13	-74.94
C[N@@H+]1CC2CC1(C(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030541782	0	49	0.0	-56.43	366.48	4.37	-52.06
CC1(CNC(=O)C[N@@H+]2CC3CCC2C3)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541787	0	52	0.0	-60.84	396.85	4.49	-56.35
CC1(CNC(=O)CN2CC3C=CC2C3)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541817	0	50	0.0	-63.15	391.63	4.59	-58.56
CC1(CNC(=O)C[N@@H+]2CC3C=CC2C3)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541817	1	50	0.0	-73.70	391.45	4.35	-69.35
CC1(CNC(=O)C[N@H+]2CC3C=CC2C3)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541817	1	50	0.0	-73.70	391.45	4.35	-69.35
CC(C[NH+](C)C)C(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541839	0	50	0.0	-58.71	390.01	3.94	-54.77
CC(C(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300030541878	1	51	0.0	-63.54	400.11	4.29	-59.25
CC1CC[N@@H+]1CC(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541879	1	48	0.0	-62.02	383.83	3.71	-58.31
CC1CC[N@H+]1CC(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541879	1	48	0.0	-63.14	383.48	3.70	-59.44
C[NH+](C)CC(O)CC(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541881	0	51	0.0	-71.30	404.74	1.74	-69.56
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2(C)CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030541931	0	51	0.0	-70.88	401.84	4.42	-66.46
CC(CC[NH+](C)C)C(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541934	0	53	0.0	-67.67	412.16	4.57	-63.10
CC1(CNC(=O)CSC(N)=[NH2+])CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541966	0	42	0.0	-66.35	360.65	-0.43	-66.78
C[N@@H+]1CC=CCC1CC(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541984	0	52	0.0	-80.62	403.22	4.49	-76.13
C[N@H+]1CC=CCC1CC(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541984	1	52	0.0	-68.05	403.18	4.63	-63.42
CCC1CN(CC(=O)NCC2(C)CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030542051	0	51	0.0	-65.71	405.12	4.41	-61.30
CCC1C[NH+](CC(=O)NCC2(C)CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030542051	1	51	0.0	-65.71	405.12	4.41	-61.30
C[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030542056	0	48	0.0	-61.35	371.85	3.19	-58.16
CC1C(C(=O)NCC2(C)CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030542071	0	51	0.0	-69.73	395.13	3.85	-65.88
CC1C(C(=O)NCC2(C)CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030542071	1	51	0.0	-69.73	395.13	3.85	-65.88
C[N@@H+]1CCCC1C(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030542261	0	48	0.0	-62.92	378.21	3.50	-59.42
C[N@@H+]1CCC(CC(=O)N2CC(F)(F)CC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030542448	0	51	0.0	-68.24	400.53	4.21	-64.03
C[N@H+]1CCC(CC(=O)N2CC(F)(F)CC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030542448	1	51	0.0	-68.24	400.53	4.21	-64.03
CCC(C(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030542453	0	50	0.0	-62.93	379.10	4.23	-58.70
C[NH+](C)CCCCC(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030542479	0	53	0.0	-67.63	420.73	5.00	-62.63
CCC[N@H+](C)CCC(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030542488	0	53	0.0	-76.64	416.60	4.52	-72.12
CCC[N@@H+](C)CCC(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030542488	1	53	0.0	-76.64	416.60	4.52	-72.12
CCC[N@H+](C)CC(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030542489	0	50	0.0	-74.45	394.25	3.97	-70.48
CCC[N@@H+](C)CC(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030542489	1	50	0.0	-74.45	394.25	3.97	-70.48
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)C12CC[N@H+](C1)CCC2	REAL300030542495	0	52	0.0	-66.39	388.28	3.66	-62.73
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300030542495	1	52	0.0	-66.39	388.28	3.66	-62.73
C[NH+](C)CC1(C(=O)N2CC(F)(F)CC2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030542538	0	51	0.0	-69.73	401.72	4.18	-65.55
CC[N@H+](C)CCC(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030542551	0	50	0.0	-66.37	395.47	4.07	-62.30
CC[N@@H+](C)CCC(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030542551	1	50	0.0	-66.37	395.47	4.07	-62.30
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)C1C[NH+]2CCC1CC2	REAL300030542560	0	52	0.0	-63.79	392.96	4.21	-59.58
C[NH+]1CCC(C(=O)N2CC(F)(F)CC2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030542584	0	51	0.0	-67.80	394.74	4.07	-63.73
CC1CCC[N@@H+]1CC(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030542657	0	51	0.0	-71.31	400.24	4.31	-67.00
CC1CC[N@H+](CC(=O)N2CC(F)(F)CC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030542687	0	51	0.0	-73.81	400.39	4.30	-69.51
CC[C@@H](C(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030542691	0	50	0.0	-61.77	381.96	3.65	-58.12
CC1=NC=CN1CC(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030542751	0	46	0.0	-70.47	384.44	4.17	-66.30
CC1=[NH+]C=CN1CC(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030542751	1	46	0.0	-70.47	384.44	4.17	-66.30
CC1=CN=CN1CC(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030542791	0	46	0.0	-61.71	384.50	4.97	-56.74
CC1=C[NH+]=CN1CC(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030542791	1	46	0.0	-61.71	384.50	4.97	-56.74
C[C@@H]1[C@H](C(=O)N2CC(F)(F)CC2(C)CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030542794	0	51	0.0	-67.34	396.31	4.29	-63.05
C[C@@H]1[C@H](C(=O)N2CC(F)(F)CC2(C)CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030542794	1	51	0.0	-67.34	396.31	4.29	-63.05
C[N@H+](CC(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030542854	0	51	0.0	-63.26	400.96	4.61	-58.65
C[N@@H+](CC(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030542854	1	51	0.0	-62.88	401.31	4.68	-58.20
C[NH+]1CCC(C(=O)N2CC(F)(F)CC2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030542869	0	51	0.0	-67.80	394.74	4.07	-63.73
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030542883	0	48	0.0	-60.74	373.57	3.26	-57.48
C[N@H+]1CCC[C@@H]1C(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030542883	1	48	0.0	-62.84	378.33	3.52	-59.32
CC1C(C(=O)N2CC(F)(F)CC2(C)CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030542974	0	51	0.0	-67.35	396.16	4.14	-63.21
CC1C(C(=O)N2CC(F)(F)CC2(C)CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030542974	1	51	0.0	-60.89	396.70	3.96	-56.93
C[C@@H](C(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030543017	0	47	0.0	-64.45	371.65	2.99	-61.46
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)CC[NH+]1CCCC1	REAL300030543037	0	51	0.0	-66.10	403.70	4.60	-61.50
C[N@H+](CCO)CC(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030543042	1	48	0.0	-74.49	383.10	-0.01	-74.50
C[N@@H+](CCO)CC(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030543042	1	48	0.0	-65.64	382.60	0.06	-65.58
C[N@H+]1CC=C(CC(=O)N2CC(F)(F)CC2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030543079	0	52	0.0	-71.56	414.17	4.91	-66.65
C[N@@H+]1CC=C(CC(=O)N2CC(F)(F)CC2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030543079	1	52	0.0	-69.60	413.91	4.84	-64.76
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)CC1=CC=C[NH+]=C1N	REAL300030543119	0	47	0.0	-70.06	389.24	2.38	-67.68
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)C1CCC[N@@H+]1C1CC1	REAL300030543125	0	52	0.0	-61.23	401.97	5.32	-55.91
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)C1CCC[N@H+]1C1CC1	REAL300030543125	1	52	0.0	-59.86	403.19	4.83	-55.03
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)C=CC[NH+]1CCCC1	REAL300030543140	0	52	0.0	-68.65	416.60	5.22	-63.43
CC[N@H+](C)CC(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030543166	0	47	0.0	-64.44	372.54	3.30	-61.14
COCCN(C)CC(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030543244	0	51	0.0	-66.01	404.86	2.46	-63.55
COCC[N@H+](C)CC(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030543244	1	51	0.0	-74.79	405.35	2.39	-72.40
COCC[N@@H+](C)CC(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030543244	1	51	0.0	-74.79	405.35	2.39	-72.40
CC(CCC(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030543247	0	53	0.0	-65.80	412.12	4.51	-61.29
CC[N@H+](CC(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030543256	0	51	0.0	-71.51	401.26	4.49	-67.02
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)C[N@@H+]1CC2CCC1C2	REAL300030543280	0	52	0.0	-63.41	399.78	4.72	-58.69
CC(C[NH+](C)C)C(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030543291	0	50	0.0	-67.26	386.43	4.28	-62.98
CCCC(C(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030543339	0	53	0.0	-62.27	407.21	4.54	-57.73
CC(CC[NH+](C)C)C(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030543354	0	53	0.0	-65.51	408.09	4.93	-60.58
CN1CCCCC1C(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030543465	0	51	0.0	-66.68	383.41	4.50	-62.18
C[N@@H+]1CCCCC1C(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030543465	1	51	0.0	-69.18	395.50	4.07	-65.11
C[N@H+]1CCCCC1C(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030543465	1	51	0.0	-69.18	395.50	4.07	-65.11
C[N@@H+]1CCC(=CC(=O)N2CC(F)(F)CC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030543504	0	49	0.0	-68.14	393.49	4.35	-63.79
C[N@H+]1CCC(=CC(=O)N2CC(F)(F)CC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030543504	1	49	0.0	-68.14	393.49	4.35	-63.79
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)CNC1=CC=[NH+]C=C1	REAL300030543506	0	47	0.0	-65.37	391.08	2.11	-63.26
C[N@@H+]1CCC[C@H]1C(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030543547	0	48	0.0	-75.09	373.55	2.98	-72.11
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(F)(F)CC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030543604	0	51	0.0	-68.36	403.94	4.36	-64.00
C[N@@H+]1CC=CCC1CC(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030543610	0	52	0.0	-54.78	401.37	4.74	-50.04
C[N@H+]1CC=CCC1CC(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030543610	1	52	0.0	-54.78	401.37	4.74	-50.04
C[NH+](C)CCOCC(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030543631	0	51	0.0	-63.11	411.34	3.86	-59.25
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)C[NH+]1CCCCC1	REAL300030543679	1	51	0.0	-63.41	396.99	4.66	-58.75
C[N@@H+]1CCCC(C(=O)N2CC(F)(F)CC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030543680	0	51	0.0	-68.30	389.06	4.07	-64.23
C[N@H+]1CCCC(C(=O)N2CC(F)(F)CC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030543680	1	51	0.0	-67.82	388.98	4.03	-63.79
CN1C=C[N+](CC(=O)N2CC(F)(F)CC2(C)CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030543682	0	46	0.0	-71.91	386.24	6.08	-65.83
C[N@@H+](CC(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030543695	1	48	0.0	-70.90	384.29	3.97	-66.93
CC(CC(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030543707	0	53	0.0	-66.45	412.11	4.78	-61.67
CC1=CC(N)=[NH+]C=C1C(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030543745	1	47	0.0	-76.42	380.46	2.59	-73.83
C[NH+]1CC(CC(=O)N2CC(F)(F)CC2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030543780	0	48	0.0	-67.35	386.81	3.68	-63.67
C[NH+](C)CC(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030543789	0	44	0.0	-65.50	355.37	2.82	-62.68
C[N@H+](CCO)CCC(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030543800	0	51	0.0	-75.86	405.46	0.59	-75.27
C[N@@H+](CCO)CCC(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030543800	1	51	0.0	-74.58	405.52	0.57	-74.01
C[C@@H](C(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030543801	0	47	0.0	-64.45	371.65	2.99	-61.46
CC(C(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300030543818	1	51	0.0	-61.56	403.52	4.13	-57.43
C[NH+](C)CC=CC(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030543822	0	48	0.0	-70.23	391.52	4.07	-66.16
CC[NH+](CC)CC(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030543854	0	50	0.0	-64.09	386.34	3.87	-60.22
CC[NH+](CC)CCC(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030543881	0	53	0.0	-65.99	412.63	4.72	-61.27
CC(C(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030543916	1	48	0.0	-63.99	382.44	3.53	-60.46
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030543942	1	51	0.0	-75.86	387.53	3.79	-72.07
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030543942	1	51	0.0	-60.92	391.31	4.79	-56.13
C[NH+](C)CC(O)CC(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030543954	0	51	0.0	-69.22	408.07	1.79	-67.43
C=CCC(C(=O)N1CC(F)(F)CC1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030543972	0	51	0.0	-62.05	399.19	4.23	-57.82
C[N@@H+]1CCCC1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030544166	0	43	0.0	-58.14	334.39	1.80	-56.34
C[N@H+]1CCCC1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030544166	1	43	0.0	-56.61	334.31	1.81	-54.80
C[N@@H+]1CCOC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030544190	1	44	0.0	-57.03	344.62	1.54	-55.49
C[N@H+]1CCOC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030544190	1	44	0.0	-81.97	352.07	1.77	-80.20
CC(C)C1=[NH+]C=CN1CCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030544392	1	50	0.0	-55.60	400.22	4.45	-51.15
CC(C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300030544400	0	52	0.0	-67.28	383.89	3.75	-63.53
CC(C)[N@@H+]1CCCCC1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030544403	0	52	0.0	-66.30	381.56	3.89	-62.41
CC(C)[N@H+]1CCCCC1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030544403	1	52	0.0	-54.03	381.31	3.86	-50.17
CC(C)[N@@H+]1CCCC1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030544439	0	49	0.0	-55.91	367.23	3.61	-52.30
CC(C)[N@H+]1CCCC1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030544439	1	49	0.0	-55.21	373.60	3.44	-51.77
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@@H+]2C1	REAL300030544469	0	50	0.0	-57.77	382.36	4.06	-53.71
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@H+]2C1	REAL300030544469	1	50	0.0	-55.88	382.29	4.06	-51.82
CC(C)C1=[NH+]C=CN1CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030544509	1	47	0.0	-55.76	380.57	4.05	-51.71
CC1=[NH+]C=CN1CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030544571	1	41	0.0	-57.31	343.21	2.89	-54.42
CC(C[NH+]1CCOCC1)C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030544573	0	50	0.0	-62.05	386.06	2.05	-60.00
O=C(CCC[NH+]1CCCCC1)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030544596	0	52	0.0	-61.85	399.79	4.49	-57.36
CC(C)(C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300030544637	0	52	0.0	-53.29	384.11	4.28	-49.01
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+](C2CCCCC2)C1	REAL300030544640	0	56	0.0	-59.68	421.33	5.22	-54.46
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+](C2CCCCC2)C1	REAL300030544640	1	56	0.0	-73.42	420.03	5.18	-68.24
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+]2CCC1CC2	REAL300030544658	0	47	0.0	-76.27	355.89	3.12	-73.15
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC2CCC[N@@H+]21	REAL300030544725	0	50	0.0	-67.79	370.83	3.79	-64.00
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC2CCC[N@H+]21	REAL300030544725	1	50	0.0	-55.61	370.97	3.86	-51.75
C[NH+](C)CCN1C=C(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300030544728	0	49	0.0	-79.81	398.99	2.82	-76.99
C[NH+](C)CCN1C=CC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030544745	0	49	0.0	-83.98	399.37	2.83	-81.15
C[C@@H]1[C@H](C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030544753	0	46	0.0	-74.65	350.10	2.27	-72.38
C[C@@H]1[C@H](C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030544753	1	46	0.0	-73.46	356.42	2.55	-70.91
CCC1=[NH+]C=CN1C(C)CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030544757	1	50	0.0	-55.92	400.76	4.53	-51.39
CC[C@@H]1[C@@H](C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030544760	0	49	0.0	-60.91	372.04	3.00	-57.91
CC[C@@H]1[C@@H](C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030544760	1	49	0.0	-70.22	375.36	3.58	-66.64
CC[N@@H+]1CCOC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030544790	1	47	0.0	-56.73	362.87	2.25	-54.48
CC[N@H+]1CCOC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030544790	1	47	0.0	-59.69	362.53	2.20	-57.49
CC[NH+](CC)CC(F)C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030544866	0	48	0.0	-58.20	377.55	3.27	-54.93
C[NH+](C)CC1=C(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)SC=C1	REAL300030544867	0	46	0.0	-61.08	380.17	3.82	-57.26
CC1CCC(C)[NH+]1CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030544996	0	49	0.0	-54.22	371.89	3.17	-51.05
O=C(CCC[NH+]1CCCC1)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030545007	0	49	0.0	-61.86	382.98	3.73	-58.13
C[NH+](C)CC1=CC=CC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030545008	0	49	0.0	-68.30	392.95	4.80	-63.50
C#CC[NH+]1CCC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030545018	0	48	0.0	-77.36	384.46	4.16	-73.20
O=C(CC[NH+]1CCCCC1)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030545020	0	49	0.0	-60.33	378.81	3.74	-56.59
C[NH+](C)CC1=CC=CC=C1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030545024	0	49	0.0	-62.16	385.62	5.01	-57.15
CC[N@@H+]1CCCCC1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030545036	0	49	0.0	-53.98	374.04	3.52	-50.46
CC[N@H+]1CCCCC1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030545036	1	49	0.0	-67.56	364.56	3.29	-64.27
CC(C)C(C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300030545037	0	55	0.0	-54.67	405.07	5.20	-49.47
C[NH+](C)C(C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300030545041	1	49	0.0	-58.44	389.16	4.77	-53.67
CC(C)C[N@@H+]1CCC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030545068	0	52	0.0	-60.25	399.78	4.25	-56.00
CC(C)C[N@H+]1CCC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030545068	1	52	0.0	-60.34	399.75	4.24	-56.10
C[NH+](C)C1(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300030545072	0	46	0.0	-57.02	348.44	2.76	-54.26
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@@H+]1C1CCOCC1	REAL300030545075	0	54	0.0	-57.16	390.53	2.43	-54.73
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@H+]1C1CCOCC1	REAL300030545075	1	54	0.0	-71.57	406.49	2.90	-68.67
C[NH+](C)C(CN1C=CC=N1)C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030545077	1	49	0.0	-59.16	386.86	2.47	-56.69
CC(C)[N@@H+]1CCCC1CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030545084	0	52	0.0	-57.19	387.45	3.59	-53.60
CC(C)[N@H+]1CCCC1CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030545084	1	52	0.0	-55.28	383.20	3.30	-51.98
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@@H+]1C1CCCC1	REAL300030545085	0	53	0.0	-55.20	397.28	4.83	-50.37
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@H+]1C1CCCC1	REAL300030545085	1	53	0.0	-55.97	392.68	4.65	-51.32
CC(C)[C@@H](C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030545115	0	48	0.0	-56.57	359.59	2.88	-53.69
C[N@H+](CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030545188	0	46	0.0	-57.31	361.03	3.29	-54.02
C[N@@H+](CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030545188	1	46	0.0	-69.63	360.82	3.29	-66.34
CC(C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300030545293	0	52	0.0	-53.46	386.52	3.55	-49.91
CN(CCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300030545378	0	48	0.0	-58.75	389.49	2.97	-55.78
C#CC[N@H+]1CCC[C@H]1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030545392	1	45	0.0	-68.53	360.94	3.03	-65.50
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030545392	1	45	0.0	-68.71	367.13	3.61	-65.10
C[N@@H+]1CCCC1CCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030545404	0	49	0.0	-62.07	376.58	3.34	-58.73
C[N@H+]1CCCC1CCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030545404	1	49	0.0	-61.66	376.82	3.34	-58.32
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[NH+](CCC1)C2	REAL300030545422	0	50	0.0	-72.09	371.70	3.47	-68.62
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC2CCCC[N@@H+]21	REAL300030545430	0	50	0.0	-53.78	382.68	4.26	-49.52
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC2CCCC[N@H+]21	REAL300030545430	1	50	0.0	-66.05	382.60	4.27	-61.78
CC(C)(C[NH+]1CCOCC1)C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030545442	0	53	0.0	-61.29	398.22	2.52	-58.77
CC[NH+](CC)CC1=CC=C(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030545459	0	52	0.0	-76.36	415.08	4.49	-71.87
O=C(CCCC[NH+]1CCCC1)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030545464	0	52	0.0	-63.18	404.47	4.51	-58.67
C[N@H+](CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300030545467	1	49	0.0	-76.35	391.36	4.91	-71.44
C[N@@H+](CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300030545467	1	49	0.0	-61.87	391.46	4.91	-56.96
C[NH+]1CCC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030545485	0	46	0.0	-76.71	359.29	2.96	-73.75
C[NH+](C)CC1=CC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300030545558	1	45	0.0	-79.18	373.44	2.31	-76.87
CC1=C(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300030545560	0	44	0.0	-71.70	358.36	5.12	-66.58
C[N@@H+]1CCCCC1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030545619	0	46	0.0	-56.16	357.19	2.89	-53.27
C[N@H+]1CCCCC1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030545619	1	46	0.0	-68.83	346.90	2.70	-66.13
CC(C)C[N@@H+]1CCCC1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030545656	0	52	0.0	-56.23	388.83	4.49	-51.74
CC(C)C[N@H+]1CCCC1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030545656	1	52	0.0	-55.49	399.03	4.48	-51.01
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN2C=[NH+]C=C2C=C1	REAL300030545845	0	41	0.0	-63.55	344.92	4.83	-58.72
CC1=[NH+]C=CN1CCCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030545861	1	47	0.0	-59.44	385.42	4.17	-55.27
O=C(CCCC[NH+]1CCOCC1)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030545865	1	53	0.0	-65.78	413.02	2.89	-62.89
C[NH+](C)CC1=CC=C(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300030545871	0	49	0.0	-68.34	392.94	4.80	-63.54
O=C(CC[NH+]1CCOCC1)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030545872	1	47	0.0	-76.14	369.58	1.27	-74.87
C[NH+](C)C(C)(C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300030545894	0	52	0.0	-77.72	389.08	4.87	-72.85
CCC[NH+](CCC)CCCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030545902	0	57	0.0	-61.87	436.67	5.46	-56.41
CC[N@H+](C)C(C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300030545903	0	52	0.0	-56.27	407.27	5.34	-50.93
CC[N@@H+](C)C(C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300030545903	1	52	0.0	-56.93	407.33	5.45	-51.48
CC1=C[NH+]=CN1CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030545930	1	41	0.0	-59.30	343.51	3.63	-55.67
O=C(CN1C=[NH+]C2=C1CCCC2)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030545944	1	48	0.0	-57.84	386.34	5.39	-52.45
C[NH+](C)CC1(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)CCCCC1	REAL300030545992	0	55	0.0	-77.79	390.83	4.55	-73.24
C[NH+](C)CCC1=CC=CC=C1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030545993	0	52	0.0	-61.04	403.67	5.49	-55.55
C[N@H+](CCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300030546000	0	55	0.0	-60.97	413.21	4.88	-56.09
C[N@@H+](CCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300030546000	1	55	0.0	-60.67	412.84	4.87	-55.80
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[NH+]1CCC2	REAL300030546006	0	47	0.0	-73.07	359.31	3.30	-69.77
C[NH+](C)C1CCCC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030546050	0	52	0.0	-66.04	387.00	4.00	-62.04
C[N@@H+]1CCC(CC(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030546057	0	46	0.0	-74.64	361.24	2.92	-71.72
C[N@H+]1CCC(CC(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030546057	1	46	0.0	-75.23	361.18	2.92	-72.31
CN(C)C1=CC=[NH+]C=C1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030546071	0	45	0.0	-79.41	365.42	2.13	-77.28
CCC(C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030546077	0	45	0.0	-57.43	343.75	2.28	-55.15
C[NH+](C)C1(CC(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030546102	0	52	0.0	-75.28	378.52	3.74	-71.54
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC2=C[NH+]=CN2C=C1	REAL300030546181	1	41	0.0	-64.55	345.19	4.83	-59.72
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300030546230	1	44	0.0	-82.48	374.39	2.76	-79.72
C[NH+](C)CCCCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030546266	0	48	0.0	-64.30	380.12	3.45	-60.85
CC(C)C(C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030546291	0	48	0.0	-56.26	358.57	2.77	-53.49
CCC[N@H+](C)CCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030546293	0	48	0.0	-60.97	376.03	3.23	-57.74
CCC[N@@H+](C)CCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030546293	1	48	0.0	-61.62	376.40	3.26	-58.36
CCC[N@H+](C)CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030546300	0	45	0.0	-71.83	353.93	2.72	-69.11
CCC[N@@H+](C)CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030546300	1	45	0.0	-59.06	354.04	2.74	-56.32
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@H+](C1)CCC2	REAL300030546333	0	47	0.0	-79.82	355.56	2.64	-77.18
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@@H+](C1)CCC2	REAL300030546333	1	47	0.0	-62.09	356.75	2.55	-59.54
C[N@@H+]1CCC[C@@H]1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030546409	0	43	0.0	-58.13	334.38	1.78	-56.35
C[N@H+]1CCC[C@@H]1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030546409	1	43	0.0	-57.25	339.86	2.36	-54.89
CC1CC2CCC(C(=O)NC3C=CCN(C(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300030546440	0	53	0.0	-58.35	402.91	4.67	-53.68
CC1CC2CCC(C(=O)NC3C=CCN(C(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300030546440	1	53	0.0	-54.73	397.04	4.88	-49.85
CCCCCC[N@H+](C)CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030546500	0	54	0.0	-73.01	418.43	5.07	-67.94
CCCCCC[N@@H+](C)CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030546500	1	54	0.0	-60.08	418.53	5.06	-55.02
CC[NH+](CC)C(C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300030546512	0	54	0.0	-54.25	393.07	4.71	-49.54
CC[NH+](CC)CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030546525	0	45	0.0	-69.95	345.80	2.37	-67.58
CCC[N@@H+]1CCCC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030546558	0	52	0.0	-65.91	392.19	4.55	-61.36
CCC[N@H+]1CCCC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030546558	1	52	0.0	-60.32	398.55	4.33	-55.99
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC[N@@H+]1C1CCCC1	REAL300030546571	0	56	0.0	-54.39	406.92	5.17	-49.22
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC[N@H+]1C1CCCC1	REAL300030546571	1	56	0.0	-65.49	411.39	5.11	-60.38
CC(C)[N@@H+]1CCOC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030546584	0	50	0.0	-79.23	386.68	2.94	-76.29
CC(C)[N@H+]1CCOC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030546584	1	50	0.0	-73.75	379.55	2.77	-70.98
CC1CC[NH+](CC(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030546628	0	49	0.0	-58.55	377.39	3.80	-54.75
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300030546662	1	44	0.0	-71.92	374.11	2.75	-69.17
C[NH+]1CCC(OCC(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030546672	0	50	0.0	-67.46	394.71	3.40	-64.06
C[NH+](C)CC1(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030546692	0	46	0.0	-71.86	367.35	3.11	-68.75
CC1=[NH+]C=C2CCC(C(=O)NC3C=CCN(C(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300030546693	1	48	0.0	-55.49	382.06	4.01	-51.48
CC(C)[NH+]1CCC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030546805	0	52	0.0	-59.31	393.65	4.15	-55.16
C[NH+]1CCC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030546837	0	46	0.0	-76.71	359.29	2.96	-73.75
CC(C)[C@H](C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030546860	0	48	0.0	-58.35	361.62	3.07	-55.28
CCC(C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030546900	0	51	0.0	-53.83	380.52	3.57	-50.26
CC[N@H+](C)CCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030547004	0	45	0.0	-73.46	354.40	2.49	-70.97
CC[N@@H+](C)CCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030547004	1	45	0.0	-61.02	354.90	2.50	-58.52
CC1CCC[N@@H+]1CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030547093	0	46	0.0	-56.00	353.47	2.69	-53.31
CC1CCC[N@H+]1CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030547093	1	46	0.0	-56.12	353.55	2.70	-53.42
CC1CC[N@H+](CC(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030547096	0	46	0.0	-71.26	359.59	3.02	-68.24
CC1CC[N@@H+](CC(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030547096	1	46	0.0	-57.96	360.19	3.00	-54.96
CC(C)(C)[N@@H+]1CCC(F)(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030547097	0	52	0.0	-58.82	396.12	3.57	-55.25
CC(C)(C)[N@H+]1CCC(F)(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030547097	1	52	0.0	-65.77	396.01	3.56	-62.21
CC1=[NH+]C=C2CC(C(=O)NC3C=CCN(C(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300030547099	1	48	0.0	-56.87	384.03	4.06	-52.81
C[NH+](C)CCC1=CC=C(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300030547101	0	52	0.0	-69.99	415.45	5.64	-64.35
CC1(C)CC[N@H+](CC(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030547103	0	49	0.0	-70.90	379.67	3.59	-67.31
CC1(C)CC[N@@H+](CC(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030547103	1	49	0.0	-70.89	379.57	3.57	-67.32
C[N@H+](CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030547104	0	51	0.0	-57.82	384.44	3.79	-54.03
C[N@@H+](CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030547104	1	51	0.0	-71.36	384.04	3.77	-67.59
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030547105	0	52	0.0	-63.31	413.94	5.76	-57.55
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030547105	1	52	0.0	-75.60	413.84	5.75	-69.85
CC[C@@H](C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030547117	0	45	0.0	-57.78	348.04	2.45	-55.33
CC(COCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300030547125	0	53	0.0	-60.35	413.34	4.07	-56.28
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[NH+](CC2CC2)CC1	REAL300030547242	0	53	0.0	-62.35	409.60	5.13	-57.22
C[N@@H+]1C[C@H](C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300030547305	0	53	0.0	-61.53	415.21	5.70	-55.83
C[N@H+]1C[C@H](C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300030547305	1	53	0.0	-61.16	417.61	5.70	-55.46
C[NH+]1CCC(O)(CC(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030547417	0	50	0.0	-70.47	382.35	1.71	-68.76
COCC[N@@H+]1CCCC1CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030547426	0	53	0.0	-72.29	403.52	2.57	-69.72
COCC[N@H+]1CCCC1CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030547426	1	53	0.0	-72.60	405.66	2.31	-70.29
O=C(C[NH+]1CCC(CO)CC1)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030547439	0	50	0.0	-61.38	388.23	0.49	-60.89
O=C(C[NH+]1CCCCCC1)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030547443	0	49	0.0	-58.54	365.77	3.36	-55.18
CN1C=C[N+](CC(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030547448	0	41	0.0	-57.72	345.68	4.79	-52.93
C[N@@H+]1CCCC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030547461	0	46	0.0	-65.82	352.58	3.10	-62.72
C[N@H+]1CCCC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030547461	1	46	0.0	-64.71	352.99	3.14	-61.57
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@@H+]1C1CC1	REAL300030547466	0	47	0.0	-53.22	360.84	3.79	-49.43
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@H+]1C1CC1	REAL300030547466	1	47	0.0	-66.51	367.12	3.72	-62.79
CC(C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030547507	1	43	0.0	-69.08	342.45	2.35	-66.73
CCC(CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030547519	0	51	0.0	-62.03	389.07	3.83	-58.20
C[NH+](C)CC(C)(C)C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030547528	0	48	0.0	-71.80	365.03	3.08	-68.72
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC(C1)C[N@@H+]2C1CC1	REAL300030547552	0	48	0.0	-52.36	358.14	3.60	-48.76
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC(C1)C[N@H+]2C1CC1	REAL300030547552	1	48	0.0	-71.94	368.05	4.33	-67.61
O=C(C[NH+]1CCC(O)CC1)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030547580	1	47	0.0	-61.53	367.62	-0.16	-61.69
C[N@H+](CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030547582	0	43	0.0	-56.82	344.07	2.72	-54.10
C[N@@H+](CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030547582	1	43	0.0	-56.93	344.16	2.72	-54.21
CC(C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300030547583	1	51	0.0	-63.95	388.04	1.14	-62.81
C[NH+]1CC(CC(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030547619	0	43	0.0	-62.10	346.07	2.13	-59.97
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+]1C1CCCC1	REAL300030547623	0	50	0.0	-71.29	386.52	4.24	-67.05
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+]1C1CCCC1	REAL300030547623	1	50	0.0	-56.88	380.02	3.68	-53.20
CC(C)(C)[N@@H+]1CCC1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030547632	0	49	0.0	-68.32	358.02	2.38	-65.94
CC(C)(C)[N@H+]1CCC1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030547632	1	49	0.0	-70.37	353.65	2.77	-67.60
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300030547645	0	49	0.0	-64.74	392.72	1.93	-62.81
C[C@@H](C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030547649	0	42	0.0	-69.29	332.25	1.77	-67.52
CCC1CCC[N@H+](CC(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030547708	0	52	0.0	-57.73	395.33	4.36	-53.37
CCC1CCC[N@@H+](CC(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030547708	1	52	0.0	-71.88	395.68	4.44	-67.44
C[NH+](C)CC1=CC=C(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030547718	0	47	0.0	-83.17	381.23	2.78	-80.39
C[NH+]1C2CCC1CC(CC(=O)NC1C=CCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030547735	0	53	0.0	-62.39	379.95	3.66	-58.73
C[NH+](C)C(CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300030547742	0	52	0.0	-63.46	404.22	5.32	-58.14
[NH2+]=C1SC=CN1CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030547790	0	39	0.0	-68.01	341.78	1.51	-66.50
C[N@H+](CCO)CCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030547803	0	46	0.0	-61.43	365.25	-0.69	-62.12
C[N@@H+](CCO)CCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030547803	1	46	0.0	-60.35	364.76	-0.76	-61.11
C[C@@H](C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030547804	0	42	0.0	-69.29	332.25	1.77	-67.52
C[N@@H+]1CCCC[C@@H]1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030547809	0	46	0.0	-58.13	347.09	2.70	-55.43
C[N@H+]1CCCC[C@@H]1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030547809	1	46	0.0	-68.72	356.21	2.88	-65.84
CC1CN2CC[N@@H+]1CC2C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030547820	0	49	0.0	-57.05	366.96	0.21	-56.84
CC1CN2CC[N@H+]1CC2C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030547820	1	49	0.0	-76.51	365.53	0.16	-76.35
COC1C[N@@H+]2CCCC2(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030547874	0	51	0.0	-57.32	388.31	1.87	-55.45
COC1C[N@H+]2CCCC2(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030547874	1	51	0.0	-55.84	391.17	2.42	-53.42
O=C(CC1=CC2=C[NH+]=CN2C=C1)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030547892	0	44	0.0	-63.75	369.21	5.50	-58.25
C[N@H+](CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300030547929	0	47	0.0	-63.85	373.93	3.51	-60.34
C[N@@H+](CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300030547929	1	47	0.0	-63.35	373.71	3.53	-59.82
O=C(C[NH+]1CCC1)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030547930	1	40	0.0	-59.12	325.09	1.80	-57.32
C[NH+](C)CC1=CC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC=N1	REAL300030547974	1	48	0.0	-72.24	388.85	3.35	-68.89
C[N@@H+]1CCC(=CC(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030547976	0	44	0.0	-75.22	353.58	2.85	-72.37
C[N@H+]1CCC(=CC(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030547976	1	44	0.0	-66.51	352.73	2.89	-63.62
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+](C2CCCCC2)C1	REAL300030548007	0	53	0.0	-59.90	407.08	4.62	-55.28
C[NH+](C)CCOCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030548028	0	46	0.0	-62.53	370.63	2.36	-60.17
CCCCC[N@H+](C)CCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030548036	0	54	0.0	-61.89	419.02	4.79	-57.10
CCCCC[N@@H+](C)CCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030548036	1	54	0.0	-61.90	419.02	4.79	-57.11
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030548048	0	50	0.0	-73.37	391.44	3.47	-69.90
C=CCC(C)(C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030548060	0	49	0.0	-56.64	369.57	3.73	-52.91
C[S+](C)CCC(O)C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030548065	0	45	0.0	-61.01	379.60	0.96	-60.05
C[N@@H+]1CC(O)CC1(C)C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030548108	0	47	0.0	-77.32	361.11	-0.51	-77.83
CN1CC[N@H+](C)CC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030548123	0	51	0.0	-61.47	384.56	1.43	-60.04
CN1CC[N@@H+](C)CC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030548123	1	51	0.0	-61.47	384.56	1.43	-60.04
CC(C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300030548124	0	50	0.0	-55.61	383.42	0.35	-55.26
C[N@@H+]1CCCC(O)(CC(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030548153	0	50	0.0	-71.95	371.94	1.47	-70.48
C[N@H+]1CCCC(O)(CC(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030548153	1	50	0.0	-71.95	371.94	1.47	-70.48
CC1CN(CC(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030548157	0	43	0.0	-58.89	346.07	2.41	-56.48
CC1C[NH+](CC(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030548157	1	43	0.0	-58.89	346.07	2.41	-56.48
CN(CCO)CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030548189	0	43	0.0	-59.44	342.89	-1.26	-60.70
C[N@H+](CCO)CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030548189	1	43	0.0	-59.16	342.68	-1.28	-60.44
C[N@@H+](CCO)CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030548189	1	43	0.0	-59.16	342.68	-1.28	-60.44
C[NH+]1C2CCC1CC(=CC(=O)NC1C=CCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030548222	0	51	0.0	-70.76	387.47	4.23	-66.53
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[N@@H+]2CCN1CCC2	REAL300030548227	0	49	0.0	-82.43	361.38	1.14	-81.29
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[N@H+]2CCN1CCC2	REAL300030548227	1	49	0.0	-82.43	361.38	1.14	-81.29
CC[N@@H+]1CCCC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030548238	0	49	0.0	-59.84	377.04	3.58	-56.26
CC[N@H+]1CCCC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030548238	1	49	0.0	-59.84	377.04	3.58	-56.26
CC(CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030548240	0	48	0.0	-63.28	371.94	3.31	-59.97
CC[N@H+](C)CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030548258	0	42	0.0	-58.80	332.54	1.99	-56.81
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@@H+]1CCCC2	REAL300030548290	0	50	0.0	-66.49	369.70	3.80	-62.69
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@H+]1CCCC2	REAL300030548290	1	50	0.0	-66.49	369.70	3.80	-62.69
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@@H+]1CC=CC2	REAL300030548300	0	48	0.0	-72.25	360.24	4.21	-68.04
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@H+]1CC=CC2	REAL300030548300	1	48	0.0	-72.25	360.24	4.21	-68.04
CC[N@H+](CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030548333	0	46	0.0	-56.60	360.88	3.24	-53.36
CC[NH+](CC)CCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030548358	0	48	0.0	-59.77	367.53	2.86	-56.91
CC1(C)CN(CC(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030548399	0	46	0.0	-71.73	365.51	3.00	-68.73
CC1(C)C[NH+](CC(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030548399	1	46	0.0	-71.73	365.51	3.00	-68.73
O=C(CCCC[NH+]1CCCCC1)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030548405	0	55	0.0	-62.94	421.30	5.30	-57.64
CC1(O)CC[N@H+](CC(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030548443	0	47	0.0	-70.71	370.21	-0.32	-71.03
C[NH+](C)CC=CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030548456	0	43	0.0	-76.02	350.27	2.49	-73.53
CC(OCC[NH+](C)C)C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030548487	0	49	0.0	-61.78	390.06	3.04	-58.74
C[NH+](C)CCOCCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030548500	0	49	0.0	-61.82	391.66	2.09	-59.73
COCCN(C)CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030548501	0	46	0.0	-72.14	364.80	1.15	-70.99
COCC[N@H+](C)CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030548501	1	46	0.0	-59.32	365.14	1.15	-58.17
COCC[N@@H+](C)CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030548501	1	46	0.0	-59.32	365.14	1.15	-58.17
COCCCC[N@H+](C)CCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030548539	0	55	0.0	-64.47	431.20	3.08	-61.39
COCCCC[N@@H+](C)CCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030548539	1	55	0.0	-64.47	431.20	3.08	-61.39
C[NH+](C)C1(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030548567	0	49	0.0	-65.24	362.68	3.43	-61.81
CC(CCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030548570	0	48	0.0	-61.70	371.59	2.96	-58.74
CCN1CCC1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030548581	0	43	0.0	-69.59	339.05	2.01	-67.58
CC[N@@H+]1CCC1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030548581	1	43	0.0	-69.15	338.72	1.93	-67.22
CC[N@H+]1CCC1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030548581	1	43	0.0	-69.15	338.72	1.93	-67.22
CC(C)[N@@H+]1CCCC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030548597	0	52	0.0	-63.96	386.87	4.27	-59.69
CC(C)[N@H+]1CCCC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030548597	1	52	0.0	-63.96	386.87	4.27	-59.69
CN1C=CN=C1N1CCC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030548598	0	50	0.0	-57.53	395.98	3.92	-53.61
CN1C=C[NH+]=C1N1CCC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030548598	1	50	0.0	-57.53	395.98	3.92	-53.61
CC(C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300030548605	0	52	0.0	-57.34	409.36	5.31	-52.03
O=C(C[N@H+]1CCCC1CO)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030548614	0	47	0.0	-70.64	364.41	-0.61	-71.25
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@@H+]2C1	REAL300030548647	0	50	0.0	-55.88	382.29	4.06	-51.82
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@H+]2C1	REAL300030548647	1	50	0.0	-55.88	382.29	4.06	-51.82
C[NH+]1CCC(C)(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030548658	0	49	0.0	-71.96	371.95	3.40	-68.56
C=CCC(C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030548708	0	46	0.0	-55.60	358.30	2.72	-52.88
C[NH+](C)C12CCC(C(=O)NC3C=CCN(C(=O)C4=CC(=O)[N-]O4)C3)(CC1)CC2	REAL300030548721	0	56	0.0	-63.99	404.46	4.54	-59.45
C[N@@H+]1CC(C)(C)CC1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030548729	0	49	0.0	-56.95	368.37	2.89	-54.06
C[N@H+]1CC(C)(C)CC1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030548729	1	49	0.0	-56.95	368.37	2.89	-54.06
C[NH+](C)CCCCCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030548734	0	51	0.0	-64.98	401.62	4.23	-60.75
CC1C[N@@H+](C2CCC2C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)CCO1	REAL300030548767	0	54	0.0	-69.03	400.52	3.74	-65.29
CC1C[N@@H+]2CCN1C(C(=O)NC1C=CCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030548795	0	49	0.0	-59.56	367.09	0.30	-59.26
CCCC(C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030548797	0	48	0.0	-58.75	369.04	3.22	-55.53
C[NH+](C)C(C)(C)C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030548803	0	45	0.0	-73.46	342.34	2.27	-71.19
CC[NH+](CC)CCSCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030548852	0	52	0.0	-63.73	416.69	4.55	-59.18
C[N@@H+]1CCCCC1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030548864	0	46	0.0	-56.16	357.19	2.89	-53.27
C[N@H+]1CCCCC1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030548864	1	46	0.0	-68.83	346.90	2.70	-66.13
C[N@H+]1CC=C(CC(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030548926	0	47	0.0	-63.61	373.57	3.60	-60.01
C[N@@H+]1CC=C(CC(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030548926	1	47	0.0	-68.70	373.44	3.61	-65.09
O=C(CC1([NH+]2CCCC2)CC1)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030548939	0	50	0.0	-57.34	379.92	4.05	-53.29
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(C[NH+]2CCCC2)CCCC1	REAL300030548966	0	56	0.0	-63.95	408.37	5.39	-58.56
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030549005	0	55	0.0	-74.76	397.06	4.01	-70.75
C[N@H+]1CCCC(C(C)(C)C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030549005	1	55	0.0	-74.76	397.06	4.01	-70.75
CN(C)CC1=CC=C(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030549010	0	46	0.0	-79.04	378.16	3.02	-76.02
C[NH+](C)CC1=CC=C(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030549010	1	46	0.0	-79.04	378.16	3.02	-76.02
O=C(C=CC[NH+]1CCCC1)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030549037	0	47	0.0	-63.54	377.06	3.74	-59.80
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[NH+](C2CC2)CC1	REAL300030549069	0	50	0.0	-59.25	388.67	4.38	-54.87
C[N@@H+]1CC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C(C(F)(F)F)C1	REAL300030549094	0	46	0.0	-76.07	364.98	3.13	-72.94
C[N@H+]1CC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C(C(F)(F)F)C1	REAL300030549094	1	46	0.0	-76.07	364.98	3.13	-72.94
O=C(CC[NH+]1CCCC1)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030549100	0	46	0.0	-60.79	361.54	2.93	-57.86
CN1CC(N2CC(C(=O)NC3C=CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2=O)C1	REAL300030549111	0	51	0.0	-70.59	403.05	2.11	-68.48
C[NH+]1CC(N2CC(C(=O)NC3C=CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2=O)C1	REAL300030549111	1	51	0.0	-70.59	403.05	2.11	-68.48
C[N@@H+]1CC2CC1(C(=O)NC1C=CCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030549173	0	44	0.0	-54.37	346.00	2.32	-52.05
CC1=C(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C=NN1CC[NH+](C)C	REAL300030549189	0	52	0.0	-79.71	415.67	3.34	-76.37
O=C(C[N@@H+]1CC2CCC1C2)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030549192	0	47	0.0	-55.83	358.67	3.19	-52.64
O=C(C[N@H+]1CC2CCC1C2)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030549192	1	47	0.0	-55.83	358.67	3.19	-52.64
CC(C)[NH+]1CCC(CC(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030549209	0	55	0.0	-60.03	412.30	4.87	-55.16
O=C(C=C1C[NH+]2CCC1CC2)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030549264	0	48	0.0	-63.12	371.10	3.73	-59.39
O=C(CN1CC2C=CC1C2)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030549277	0	45	0.0	-68.08	353.52	3.19	-64.89
O=C(C[N@@H+]1CC2C=CC1C2)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030549277	1	45	0.0	-56.25	353.88	3.18	-53.07
O=C(C[N@H+]1CC2C=CC1C2)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030549277	1	45	0.0	-56.25	353.88	3.18	-53.07
C[NH+](C)CC(C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300030549320	0	52	0.0	-60.35	412.61	5.32	-55.03
CC(C[NH+](C)C)C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030549354	0	45	0.0	-73.24	352.71	2.54	-70.70
C[N@@H+]1CCCCC1CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030549466	0	49	0.0	-60.50	373.50	3.42	-57.08
C[N@H+]1CCCCC1CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030549466	1	49	0.0	-60.50	373.50	3.42	-57.08
CC1=C2C=C(C(=O)NC3C=CCN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=N1	REAL300030549489	0	44	0.0	-61.98	367.10	5.39	-56.59
CC1=C2C=C(C(=O)NC3C=CCN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030549489	1	44	0.0	-61.98	367.10	5.39	-56.59
CC1CCN1CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030549494	0	43	0.0	-69.43	340.51	2.12	-67.31
CC1CC[N@@H+]1CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030549494	1	43	0.0	-57.62	346.18	2.40	-55.22
CC1CC[N@H+]1CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030549494	1	43	0.0	-57.62	346.18	2.40	-55.22
C[NH+](C)CC(O)CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030549499	0	46	0.0	-77.19	366.92	0.30	-76.89
CC1CN(C)CC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030549540	0	47	0.0	-84.56	366.06	2.07	-82.49
CC1C[N@H+](C)CC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030549540	1	47	0.0	-63.33	366.12	2.07	-61.26
CC1C[N@@H+](C)CC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030549540	1	47	0.0	-63.33	366.12	2.07	-61.26
O=C(CC[NH+]1CCC(O)CC1)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030549554	0	50	0.0	-64.29	389.86	0.37	-63.92
CCC[N@@H+]1CCCCC1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030549557	0	52	0.0	-55.33	395.56	4.28	-51.05
CCC[N@H+]1CCCCC1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030549557	1	52	0.0	-55.33	395.56	4.28	-51.05
CC[NH+]1CCN(CCC(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030549561	0	54	0.0	-61.44	412.86	1.92	-59.52
CCN1CC[NH+](CCC(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030549561	1	54	0.0	-61.44	412.86	1.92	-59.52
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300030549564	0	53	0.0	-56.67	389.50	4.79	-51.88
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300030549564	1	53	0.0	-56.67	389.50	4.79	-51.88
CC(C)C[NH+]1CCC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030549618	0	55	0.0	-75.94	415.79	5.03	-70.91
C[NH+](C)C1CCN(CC(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030549651	0	54	0.0	-71.76	408.06	1.99	-69.77
C[NH+](C)[C@H]1C[C@H](C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030549676	0	46	0.0	-71.73	364.24	3.06	-68.67
CC(CC[NH+](C)C)C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030549686	0	48	0.0	-63.90	374.80	3.19	-60.71
C[N@H+](CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300030549724	0	50	0.0	-70.23	385.73	0.53	-69.70
C#CCN1CCCCC1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030549734	0	48	0.0	-68.70	381.40	4.06	-64.64
C#CC[N@H+]1CCCCC1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030549734	1	48	0.0	-54.48	381.92	4.10	-50.38
C#CC[N@@H+]1CCCCC1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030549734	1	48	0.0	-54.48	381.92	4.10	-50.38
CN1CCN(CC(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030549742	0	48	0.0	-71.50	373.72	0.84	-70.66
C[NH+]1CCN(CC(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030549742	1	48	0.0	-71.50	373.72	0.84	-70.66
NC(=[NH2+])SCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030549788	0	37	0.0	-74.03	322.84	-1.86	-75.89
CC[N@H+]1CCOCC1CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030549842	1	50	0.0	-61.24	382.41	1.74	-59.50
C[NH+](C)CCC1(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030549864	0	55	0.0	-64.01	410.86	5.04	-58.97
CC1CCCC(C)[NH+]1CCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030549866	0	55	0.0	-56.47	408.26	4.36	-52.11
C[NH+](C)C1CCC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030549869	0	52	0.0	-69.93	387.00	3.99	-65.94
C[NH+](C)CCC1(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030549870	0	49	0.0	-63.87	390.39	3.80	-60.07
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030549874	0	52	0.0	-59.72	387.06	3.99	-55.73
C[N@@H+]1CC=CCC1CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030549875	0	47	0.0	-61.31	365.12	3.32	-57.99
C[N@H+]1CC=CCC1CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030549875	1	47	0.0	-66.07	360.44	3.25	-62.82
C[C@@H](OCC[NH+](C)C)C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030549912	0	49	0.0	-70.54	390.44	3.06	-67.48
C[NH+]1C2CCC1CC(C(=O)NC1C=CCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030549956	0	50	0.0	-69.68	356.90	3.73	-65.95
C[NH+]1CCC(O)(C2(C(=O)NC3C=CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030550084	0	54	0.0	-65.73	405.64	2.16	-63.57
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1(CC[NH+]2CCCCC2)CC1	REAL300030550113	0	56	0.0	-60.62	432.69	5.73	-54.89
CC(C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)N1CCSCC1	REAL300030550139	0	47	0.0	-59.15	374.13	3.32	-55.83
CC(C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300030550139	1	47	0.0	-59.15	374.13	3.32	-55.83
CCC1CN(CC(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030550142	0	46	0.0	-59.75	367.25	3.11	-56.64
CCC1C[NH+](CC(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030550142	1	46	0.0	-59.75	367.25	3.11	-56.64
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+](C2CCOCC2)C1	REAL300030550144	0	51	0.0	-62.66	397.58	2.21	-60.45
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1([NH+]2CCCC2)CCC1	REAL300030550146	0	50	0.0	-53.36	375.07	3.98	-49.38
C[N@@H+]1CCC[C@H]1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030550158	0	43	0.0	-69.83	334.29	1.82	-68.01
O=C(CC[N@H+]1CCC(F)C1)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030550168	0	46	0.0	-64.51	368.87	3.06	-61.45
COC1C[N@H+](C)C(C)(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030550179	0	50	0.0	-56.85	384.43	2.01	-54.84
O=C(CC[NH+]1CCCCCC1)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030550193	0	52	0.0	-61.45	388.82	3.94	-57.51
CC1C(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030550207	0	46	0.0	-70.13	359.83	2.86	-67.27
CC1C(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030550207	1	46	0.0	-70.13	359.83	2.86	-67.27
C[N@@H+]1CCCCC1CCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030550210	0	52	0.0	-61.56	396.25	4.25	-57.31
C[N@H+]1CCCCC1CCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030550210	1	52	0.0	-61.56	396.25	4.25	-57.31
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+]2CCOCC12	REAL300030550255	0	48	0.0	-58.61	369.65	1.55	-57.06
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+]2CCOCC12	REAL300030550255	1	48	0.0	-58.61	369.65	1.55	-57.06
CN1CCOCC1CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030550286	0	47	0.0	-78.57	365.11	1.16	-77.41
C[N@@H+]1CCOCC1CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030550286	1	47	0.0	-68.84	357.39	0.94	-67.90
C[N@H+]1CCOCC1CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030550286	1	47	0.0	-68.84	357.39	0.94	-67.90
CC1=C(C)NC(CCC(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030550300	0	47	0.0	-67.37	384.93	2.60	-64.77
CC1=C(C)[NH+]=C(CCC(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030550300	1	47	0.0	-67.37	384.93	2.60	-64.77
C[NH+](C)CCC1=CC=CC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030550313	0	52	0.0	-69.89	415.40	5.64	-64.25
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCN1CC1=CC=CC=C1	REAL300030550318	0	50	0.0	-56.69	398.85	4.94	-51.75
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300030550318	1	50	0.0	-57.55	396.96	4.80	-52.75
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+]1CC1=CC=CC=C1	REAL300030550318	1	50	0.0	-57.55	396.96	4.80	-52.75
CC(C)C[N@@H+]1CCCC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030550322	0	55	0.0	-59.12	415.53	5.01	-54.11
CC(C)C[N@H+]1CCCC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030550322	1	55	0.0	-59.12	415.53	5.01	-54.11
C[N@@H+]1CCCC1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030550481	0	43	0.0	-71.79	339.85	2.28	-69.51
C[N@H+]1CCCC1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030550481	1	43	0.0	-71.79	339.85	2.28	-69.51
CN1CCOC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030550506	0	44	0.0	-85.86	350.32	1.67	-84.19
C[N@@H+]1CCOC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030550506	1	44	0.0	-83.84	351.35	1.72	-82.12
C[N@H+]1CCOC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030550506	1	44	0.0	-83.84	351.35	1.72	-82.12
CC1=NC=CN1CCCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030550679	0	47	0.0	-72.99	388.41	4.37	-68.62
CC1=[NH+]C=CN1CCCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030550679	1	47	0.0	-72.99	388.41	4.37	-68.62
O=C(CCCCN1CCOCC1)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030550683	0	53	0.0	-79.40	415.74	3.06	-76.34
O=C(CCCC[NH+]1CCOCC1)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030550683	1	53	0.0	-79.40	415.74	3.06	-76.34
C[NH+](C)CC1=CC=C(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300030550689	0	49	0.0	-84.22	393.54	4.54	-79.68
O=C(CCN1CCOCC1)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030550690	0	47	0.0	-79.83	372.74	1.48	-78.35
O=C(CC[NH+]1CCOCC1)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030550690	1	47	0.0	-79.83	372.74	1.48	-78.35
CCC[NH+](CCC)CCCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030550720	0	57	0.0	-76.27	435.55	5.39	-70.88
CC[N@H+](C)C(C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300030550721	0	52	0.0	-71.83	406.82	5.34	-66.49
O=C(NC1C=CCN(C(=O)C23CCC[NH+]2CCC3)C1)C1=CC(=O)[N-]O1	REAL300030550742	0	47	0.0	-65.40	355.64	2.75	-62.65
O=C(NC1C=CCN(C(=O)C2=CC3=CN=CN3C=C2)C1)C1=CC(=O)[N-]O1	REAL300030550762	0	41	0.0	-76.64	352.60	4.78	-71.86
O=C(NC1C=CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1)C1=CC(=O)[N-]O1	REAL300030550762	1	41	0.0	-76.64	352.60	4.78	-71.86
C[NH+](C)C1CCCC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030550852	0	52	0.0	-64.41	386.23	3.89	-60.52
C[N@@H+]1CCC(CC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030550859	0	46	0.0	-76.97	364.20	3.05	-73.92
C[N@H+]1CCC(CC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030550859	1	46	0.0	-76.82	364.15	3.06	-73.76
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030550873	0	45	0.0	-83.23	369.64	1.20	-82.03
CCC(C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030550879	0	45	0.0	-73.61	347.37	2.41	-71.20
O=C(NC1C=CCN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)C1)C1=CC(=O)[N-]O1	REAL300030550889	1	44	0.0	-83.47	374.49	3.16	-80.31
CC1CC2CCC(C(=O)N3CC=CC(NC(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300030550946	0	53	0.0	-64.31	404.32	4.64	-59.67
CC1CC2CCC(C(=O)N3CC=CC(NC(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300030550946	1	53	0.0	-72.70	401.04	4.44	-68.26
C[NH+](C)CCCCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030550986	0	48	0.0	-77.42	382.84	3.60	-73.82
CC(C)C(C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030551013	0	48	0.0	-75.06	362.17	3.00	-72.06
CCC[N@H+](C)CCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030551015	0	48	0.0	-77.88	379.07	3.44	-74.44
CCC[N@@H+](C)CCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030551015	1	48	0.0	-77.88	379.03	3.43	-74.45
CCC[N@H+](C)CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030551022	0	45	0.0	-75.16	356.67	2.84	-72.32
CCC[N@@H+](C)CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030551022	1	45	0.0	-75.19	356.70	2.84	-72.35
O=C(NC1C=CCN(C(=O)C23CC[N@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300030551055	0	47	0.0	-85.35	349.49	2.22	-83.13
O=C(NC1C=CCN(C(=O)C23CC[N@@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300030551055	1	47	0.0	-76.28	349.45	2.21	-74.07
CCCCCC[N@H+](C)CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030551111	0	54	0.0	-76.54	421.16	5.18	-71.36
CCCCCC[N@@H+](C)CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030551111	1	54	0.0	-76.47	421.17	5.18	-71.29
CC[NH+](CC)C(C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300030551123	0	54	0.0	-69.46	389.43	4.36	-65.10
CC1CC[NH+](CC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030551171	0	49	0.0	-75.69	380.01	3.89	-71.80
O=C(NC1C=CCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1)C1=CC(=O)[N-]O1	REAL300030551205	1	44	0.0	-79.72	373.57	2.51	-77.21
C[NH+]1CCC(OCC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030551215	0	50	0.0	-81.56	397.43	3.58	-77.98
O=C(NC1C=CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030551291	0	50	0.0	-74.05	382.38	3.97	-70.08
O=C(NC1C=CCN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030551291	1	50	0.0	-79.74	381.60	3.97	-75.77
C[NH+](C)CC1(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030551312	0	46	0.0	-60.55	364.96	3.09	-57.46
CC1=[NH+]C=C2CCC(C(=O)N3CC=CC(NC(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300030551313	1	48	0.0	-65.00	380.91	3.82	-61.18
CC(C)[NH+]1CCC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030551326	0	52	0.0	-68.97	391.91	3.91	-65.06
CC[N@H+](C)CCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030551366	0	45	0.0	-77.01	357.53	2.69	-74.32
CC[N@@H+](C)CCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030551366	1	45	0.0	-77.16	357.54	2.69	-74.47
CC(C)(C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300030551409	0	52	0.0	-72.72	379.82	4.06	-68.66
O=C(NC1C=CCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1)C1=CC(=O)[N-]O1	REAL300030551412	0	56	0.0	-75.49	419.61	5.21	-70.28
O=C(NC1C=CCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1)C1=CC(=O)[N-]O1	REAL300030551412	1	56	0.0	-72.43	419.61	5.12	-67.31
O=C(NC1C=CCN(C(=O)C2C[NH+]3CCC2CC3)C1)C1=CC(=O)[N-]O1	REAL300030551430	0	47	0.0	-78.69	354.52	2.93	-75.76
C[NH+]1CCC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030551535	0	46	0.0	-81.06	357.47	2.79	-78.27
CC(C)[C@H](C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030551558	0	48	0.0	-72.34	357.91	2.80	-69.54
O=C(NC1C=CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1)C1=CC(=O)[N-]O1	REAL300030551666	0	53	0.0	-81.00	406.69	5.01	-75.99
CC[NH+](CC)CC(F)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030551720	0	48	0.0	-78.67	373.97	3.05	-75.62
C[NH+](C)CC1=C(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)SC=C1	REAL300030551721	0	46	0.0	-61.83	381.36	3.83	-58.00
CC(C)C[N@@H+]1CCC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030551771	0	52	0.0	-69.04	399.12	4.23	-64.81
CC(C)C[N@H+]1CCC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030551771	1	52	0.0	-76.43	398.88	4.20	-72.23
C[NH+](C)C1(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300030551775	0	46	0.0	-66.79	346.81	2.34	-64.45
CCC(C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030551817	0	51	0.0	-67.17	381.29	3.60	-63.57
CC1CCC[N@@H+]1CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030551850	0	46	0.0	-66.87	363.57	3.06	-63.81
CC1CCC[N@H+]1CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030551850	1	46	0.0	-67.01	362.73	3.16	-63.85
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030551963	1	50	0.0	-69.16	402.89	4.61	-64.55
CC(C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300030551971	0	52	0.0	-70.99	384.88	3.75	-67.24
CC(C)[N@@H+]1CCCCC1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030551974	0	52	0.0	-66.92	389.25	3.90	-63.02
CC(C)[N@H+]1CCCCC1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030551974	1	52	0.0	-68.32	380.67	3.62	-64.70
CC(C)[N@@H+]1CCCC1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030552010	0	49	0.0	-65.31	373.27	3.31	-62.00
CC(C)[N@H+]1CCCC1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030552010	1	49	0.0	-65.80	372.63	3.31	-62.49
O=C(NC1C=CCN(C(=O)C2CCC[N@@H+]2C2CCOCC2)C1)C1=CC(=O)[N-]O1	REAL300030552019	0	54	0.0	-70.22	405.29	2.78	-67.44
O=C(NC1C=CCN(C(=O)C2CCC[N@H+]2C2CCOCC2)C1)C1=CC(=O)[N-]O1	REAL300030552019	1	54	0.0	-72.01	400.49	3.20	-68.81
C[NH+](C)C(CN1C=CC=N1)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030552021	1	49	0.0	-67.61	388.24	2.62	-64.99
CC(C)[N@@H+]1CCCC1CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030552028	0	52	0.0	-65.11	386.91	3.98	-61.13
CC(C)[N@H+]1CCCC1CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030552028	1	52	0.0	-65.40	388.51	3.60	-61.80
O=C(NC1C=CCN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300030552029	0	53	0.0	-72.82	390.97	4.89	-67.93
O=C(NC1C=CCN(C(=O)C2CCC[N@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300030552029	1	53	0.0	-70.08	392.86	4.87	-65.21
CC(C)[C@@H](C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030552059	0	48	0.0	-71.88	359.95	3.09	-68.79
CC1CC[N@H+](CC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030552097	0	46	0.0	-68.94	362.96	3.10	-65.84
CC1CC[N@@H+](CC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030552097	1	46	0.0	-69.84	363.56	3.11	-66.73
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030552098	0	52	0.0	-71.21	394.15	3.56	-67.65
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030552098	1	52	0.0	-59.96	394.15	3.57	-56.39
CC1=[NH+]C=C2CC(C(=O)N3CC=CC(NC(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300030552100	1	48	0.0	-70.52	382.19	3.92	-66.60
C[NH+](C)CCC1=CC=C(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300030552102	0	52	0.0	-84.45	416.04	5.38	-79.07
CC1(C)CC[N@H+](CC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030552104	0	49	0.0	-74.29	382.47	3.67	-70.62
CC1(C)CC[N@@H+](CC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030552104	1	49	0.0	-74.52	383.04	3.67	-70.85
C[N@H+](CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030552105	0	51	0.0	-75.24	385.27	3.81	-71.43
C[N@@H+](CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030552105	1	51	0.0	-74.84	387.25	3.96	-70.88
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030552106	0	52	0.0	-78.90	416.60	5.87	-73.03
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030552106	1	52	0.0	-78.96	416.57	5.86	-73.10
CC[C@@H](C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030552118	0	45	0.0	-69.95	344.33	2.30	-67.65
CC(COCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300030552126	0	53	0.0	-72.16	416.11	4.25	-67.91
C[N@@H+]1C[C@H](C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300030552140	0	53	0.0	-75.77	419.36	5.59	-70.18
C[N@H+]1C[C@H](C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300030552140	1	53	0.0	-78.47	416.90	5.52	-72.95
CN(CCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300030552313	0	48	0.0	-70.76	391.92	3.11	-67.65
CC1=[NH+]C=CN1CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030552455	1	41	0.0	-71.38	346.87	3.02	-68.36
CC(C[NH+]1CCOCC1)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030552457	0	50	0.0	-79.23	389.19	2.03	-77.20
O=C(CCC[NH+]1CCCCC1)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030552480	0	52	0.0	-76.17	402.98	4.70	-71.47
C[NH+](C)CC1=CC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300030552506	1	45	0.0	-80.65	373.83	2.74	-77.91
CC1=C(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300030552508	0	44	0.0	-73.77	369.77	4.99	-68.78
CC(C)C1=[NH+]C=CN1CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030552572	1	47	0.0	-69.69	383.12	4.15	-65.54
O=C(NC1C=CCN(C(=O)C2CCCC3CCC[N@@H+]32)C1)C1=CC(=O)[N-]O1	REAL300030552637	0	50	0.0	-70.26	370.36	3.54	-66.72
O=C(NC1C=CCN(C(=O)C2CCCC3CCC[N@H+]32)C1)C1=CC(=O)[N-]O1	REAL300030552637	1	50	0.0	-73.37	368.63	3.85	-69.52
CC[N@@H+]1CCOC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030552686	1	47	0.0	-83.87	368.08	2.29	-81.58
CC[N@H+]1CCOC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030552686	1	47	0.0	-82.63	369.25	2.34	-80.29
O=C(NC1C=CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300030552780	0	41	0.0	-78.57	352.21	4.76	-73.81
CC1=C[NH+]=CN1CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030552785	1	41	0.0	-72.89	347.23	3.75	-69.14
C[NH+](C)CCN1C=C(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300030552791	0	49	0.0	-81.53	397.91	2.54	-78.99
C[NH+](C)CCN1C=CC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030552808	0	49	0.0	-85.40	399.12	3.24	-82.16
C[C@@H]1[C@H](C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030552816	0	46	0.0	-75.81	353.81	2.74	-73.07
C[C@@H]1[C@H](C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030552816	1	46	0.0	-74.96	357.98	2.99	-71.97
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030552820	1	50	0.0	-69.95	403.39	4.67	-65.28
CC[C@@H]1[C@@H](C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030552823	0	49	0.0	-71.13	374.75	3.04	-68.09
CC[C@@H]1[C@@H](C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030552823	1	49	0.0	-69.17	376.60	3.29	-65.88
CC1CCC(C)[NH+]1CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030552855	0	49	0.0	-70.85	374.32	3.26	-67.59
O=C(CCC[NH+]1CCCC1)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030552866	0	49	0.0	-75.59	385.68	3.88	-71.71
C[NH+](C)CC1=CC=CC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030552867	0	49	0.0	-87.49	393.52	4.53	-82.96
C#CC[NH+]1CCC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030552878	0	48	0.0	-81.42	382.69	3.99	-77.43
O=C(CC[NH+]1CCCCC1)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030552880	0	49	0.0	-76.41	381.44	3.90	-72.51
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030552885	0	49	0.0	-58.90	392.82	4.63	-54.27
CC[N@@H+]1CCCCC1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030552897	0	49	0.0	-71.27	367.77	3.36	-67.91
CC[N@H+]1CCCCC1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030552897	1	49	0.0	-67.71	374.91	3.55	-64.16
CC(C)C(C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300030552898	0	55	0.0	-69.81	401.84	4.96	-64.85
C[NH+](C)C(C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300030552902	1	49	0.0	-73.27	388.54	4.63	-68.64
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030552912	1	48	0.0	-72.02	389.10	5.48	-66.54
C[NH+](C)CC1(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CCCCC1	REAL300030552961	0	55	0.0	-81.33	392.63	4.63	-76.70
C[NH+](C)CCC1=CC=CC=C1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030552962	0	52	0.0	-62.58	412.17	5.36	-57.22
C[N@H+](CCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300030552969	0	55	0.0	-77.87	415.85	5.07	-72.80
C[N@@H+](CCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300030552969	1	55	0.0	-73.46	416.01	5.05	-68.41
C[NH+](C)C1(CC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030552973	0	52	0.0	-78.86	381.39	3.92	-74.94
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)=NN1	REAL300030552990	1	50	0.0	-77.54	400.60	2.75	-74.79
C[N@H+]1CCCC1C1=CC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)=NN1	REAL300030552990	1	50	0.0	-74.60	393.09	2.21	-72.39
C[N@H+](CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030553265	0	46	0.0	-72.78	363.69	3.41	-69.37
C[N@@H+](CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030553265	1	46	0.0	-72.83	363.60	3.39	-69.44
CC(C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300030553307	0	52	0.0	-68.65	385.40	3.69	-64.96
CC[NH+](CC)CC1=CC=C(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030553324	0	52	0.0	-80.28	414.90	4.70	-75.58
O=C(CCCC[NH+]1CCCC1)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030553329	0	52	0.0	-75.97	408.80	4.78	-71.19
C[N@H+](CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300030553332	1	49	0.0	-80.09	394.14	5.02	-75.07
C[N@@H+](CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300030553332	1	49	0.0	-79.89	394.17	5.02	-74.87
C[NH+]1CCC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030553350	0	46	0.0	-81.06	357.47	2.79	-78.27
C[N@@H+]1CCC[C@@H]1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030553436	0	43	0.0	-74.12	335.80	1.95	-72.17
C[N@H+]1CCC[C@@H]1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030553436	1	43	0.0	-71.71	338.75	2.21	-69.50
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030553459	1	45	0.0	-70.88	362.65	3.18	-67.70
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030553459	1	45	0.0	-67.08	366.21	3.50	-63.58
C[N@@H+]1CCCC1CCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030553471	0	49	0.0	-69.95	379.27	3.45	-66.50
C[N@H+]1CCCC1CCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030553471	1	49	0.0	-68.04	379.51	3.49	-64.55
O=C(NC1C=CCN(C(=O)C23CCC[NH+](CCC2)C3)C1)C1=CC(=O)[N-]O1	REAL300030553489	0	50	0.0	-85.61	365.42	3.08	-82.53
O=C(NC1C=CCN(C(=O)C2CCC3CCCC[N@@H+]32)C1)C1=CC(=O)[N-]O1	REAL300030553497	0	50	0.0	-69.46	381.39	4.20	-65.26
O=C(NC1C=CCN(C(=O)C2CCC3CCCC[N@H+]32)C1)C1=CC(=O)[N-]O1	REAL300030553497	1	50	0.0	-68.61	377.28	3.83	-64.78
CCC[N@@H+]1CCCC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030553615	0	52	0.0	-68.58	390.53	4.34	-64.24
CCC[N@H+]1CCCC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030553615	1	52	0.0	-74.28	396.66	4.16	-70.12
O=C(NC1C=CCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300030553628	0	56	0.0	-69.40	406.30	5.02	-64.38
O=C(NC1C=CCN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300030553628	1	56	0.0	-68.25	413.21	5.17	-63.08
CC(C)[N@@H+]1CCOC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030553641	0	50	0.0	-83.91	384.74	2.80	-81.11
CC(C)[N@H+]1CCOC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030553641	1	50	0.0	-77.48	377.78	2.62	-74.86
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030553665	0	53	0.0	-67.78	386.35	1.87	-65.91
C[N@@H+]1CCCCC1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030553688	0	46	0.0	-69.24	357.93	3.00	-66.24
C[N@H+]1CCCCC1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030553688	1	46	0.0	-71.39	357.63	2.96	-68.43
CC(C)C[N@@H+]1CCCC1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030553726	0	52	0.0	-69.22	388.86	4.54	-64.68
CC(C)C[N@H+]1CCCC1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030553726	1	52	0.0	-70.93	400.31	4.40	-66.53
O=C(C[NH+]1CCC(CO)CC1)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030553749	0	50	0.0	-76.80	391.22	0.57	-76.23
C[NH+]1C2CCC1CC(=CC(=O)N1CC=CC(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030553798	0	51	0.0	-73.83	389.48	4.36	-69.47
CC1C(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030553820	0	46	0.0	-77.62	357.71	3.07	-74.55
CC1C(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030553820	1	46	0.0	-72.81	359.52	2.78	-70.03
C[N@@H+]1CCCCC1CCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030553824	0	52	0.0	-80.31	391.42	4.20	-76.11
C[N@H+]1CCCCC1CCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030553824	1	52	0.0	-72.06	391.50	4.18	-67.88
NC1=[NH+]C2=C(C=C1C(=O)N1CC=CC(NC(=O)C3=CC(=O)[N-]O3)C1)CCC2	REAL300030553871	1	46	0.0	-65.38	372.94	2.16	-63.22
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030553969	0	49	0.0	-66.44	356.70	2.47	-63.97
CC(C)(C)[N@H+]1CCC1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030553969	1	49	0.0	-69.07	359.42	2.28	-66.79
O=C(NC1C=CCN(C(=O)C2CCN(C3=CC=[NH+]C=C3)C2)C1)C1=CC(=O)[N-]O1	REAL300030553991	0	49	0.0	-76.03	388.71	1.73	-74.30
C[C@@H](C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030553997	0	42	0.0	-66.06	333.32	1.75	-64.31
C[NH+](C)CC1=CC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)=CC=N1	REAL300030554020	1	48	0.0	-73.19	390.70	3.13	-70.06
C=CCC(C)(C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030554026	0	49	0.0	-66.04	362.84	2.88	-63.16
CC[NH+](CC)CCSCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030554065	0	52	0.0	-78.28	420.08	4.79	-73.49
NC1=C(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]C2=CC=CC=C21	REAL300030554066	1	45	0.0	-70.97	370.10	1.56	-69.41
O=C(CC[NH+]1CCCC1)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030554071	0	46	0.0	-77.23	364.18	3.10	-74.13
C[N@H+](CCO)CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030554081	1	43	0.0	-75.43	345.55	-1.14	-76.57
C[N@@H+](CCO)CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030554081	1	43	0.0	-75.72	345.28	-1.14	-76.86
O=C(NC1C=CCN(C(=O)C2C[N@@H+]3CCN2CCC3)C1)C1=CC(=O)[N-]O1	REAL300030554132	0	49	0.0	-82.06	364.22	0.68	-81.38
O=C(NC1C=CCN(C(=O)C2C[N@H+]3CCN2CCC3)C1)C1=CC(=O)[N-]O1	REAL300030554132	1	49	0.0	-78.75	363.04	0.63	-78.12
CC(C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300030554180	1	47	0.0	-75.75	374.22	3.31	-72.44
C[N@H+]1CC=C(CC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030554241	0	47	0.0	-67.00	376.69	3.78	-63.22
C[N@@H+]1CC=C(CC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030554241	1	47	0.0	-70.94	376.61	3.80	-67.14
C[NH+]1CC(N2CC(C(=O)N3CC=CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2=O)C1	REAL300030554255	1	51	0.0	-76.50	402.42	2.00	-74.50
C[S+](C)CCC(O)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030554263	0	45	0.0	-82.86	377.90	0.82	-82.04
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030554297	0	47	0.0	-78.80	354.97	-1.11	-79.91
C[N@H+]1CC(O)CC1(C)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030554297	1	47	0.0	-64.95	360.11	-1.04	-65.99
CN1CC[N@H+](C)CC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030554316	0	51	0.0	-65.36	385.40	1.37	-63.99
CN1CC[N@@H+](C)CC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030554316	1	51	0.0	-75.21	389.35	0.99	-74.22
CC(C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300030554317	0	50	0.0	-70.15	386.50	0.24	-69.91
CC(C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300030554317	1	50	0.0	-68.39	386.45	0.21	-68.18
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030554355	0	46	0.0	-69.46	378.36	2.16	-67.30
C[N@@H+]1CCCC(O)(CC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030554365	0	50	0.0	-69.80	385.08	1.88	-67.92
C[N@H+]1CCCC(O)(CC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030554365	1	50	0.0	-70.36	375.29	1.69	-68.67
CC1C[NH+](CC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030554372	1	43	0.0	-75.80	347.54	2.56	-73.24
CC[N@@H+]1CCCC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030554381	0	49	0.0	-68.22	369.03	3.59	-64.63
CC[N@H+]1CCCC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030554381	1	49	0.0	-73.63	375.20	3.44	-70.19
NC1=[NH+]C=CC=C1CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030554398	0	42	0.0	-70.75	351.71	1.27	-69.48
O=C(NC1C=CCN(C(=O)C2CCC[N@@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300030554414	0	47	0.0	-71.64	368.62	3.38	-68.26
O=C(NC1C=CCN(C(=O)C2CCC[N@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300030554414	1	47	0.0	-68.91	368.85	3.60	-65.31
CC1C[N@@H+](C2CCC2C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CCO1	REAL300030554451	0	54	0.0	-74.70	402.48	3.46	-71.24
CC1C[N@H+](C2CCC2C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CCO1	REAL300030554451	1	54	0.0	-75.01	413.04	3.21	-71.80
O=C(NC1C=CCN(C(=O)C2=CC=C(C[NH+]3CCCC3)O2)C1)C1=CC(=O)[N-]O1	REAL300030554474	0	50	0.0	-81.33	404.25	4.37	-76.96
O=C(C=CC[NH+]1CCCC1)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030554481	0	47	0.0	-77.93	376.91	3.71	-74.22
O=C(NC1C=CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1)C1=CC(=O)[N-]O1	REAL300030554516	0	50	0.0	-78.29	382.35	4.01	-74.28
CC[N@H+](C)CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030554579	0	42	0.0	-74.88	335.20	2.10	-72.78
O=C(CN1CC2C=CC1C2)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030554664	0	45	0.0	-67.48	356.67	3.30	-64.18
O=C(C[N@@H+]1CC2C=CC1C2)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030554664	1	45	0.0	-64.90	356.74	3.28	-61.62
O=C(C[N@H+]1CC2C=CC1C2)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030554664	1	45	0.0	-64.90	356.74	3.28	-61.62
CC1=CC=C(NCCC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)N=C1	REAL300030554691	0	48	0.0	-71.13	396.34	2.87	-68.26
CC1=CC=C(NCCC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)[NH+]=C1	REAL300030554691	1	48	0.0	-71.13	396.34	2.87	-68.26
O=C(NC1C=CCN(C(=O)C2(C[NH+]3CCCC3)CCCC2)C1)C1=CC(=O)[N-]O1	REAL300030554751	0	56	0.0	-63.74	408.08	4.87	-58.87
O=C(NC1C=CCN(C(=O)C23CCC[N@@H+]2CCCC3)C1)C1=CC(=O)[N-]O1	REAL300030554854	0	50	0.0	-64.64	362.92	3.17	-61.47
O=C(NC1C=CCN(C(=O)C23CCC[N@H+]2CCCC3)C1)C1=CC(=O)[N-]O1	REAL300030554854	1	50	0.0	-65.24	366.44	3.27	-61.97
O=C(NC1C=CCN(C(=O)C23CCC[N@@H+]2CC=CC3)C1)C1=CC(=O)[N-]O1	REAL300030554866	0	48	0.0	-65.59	359.45	2.97	-62.62
O=C(NC1C=CCN(C(=O)C23CCC[N@H+]2CC=CC3)C1)C1=CC(=O)[N-]O1	REAL300030554866	1	48	0.0	-64.65	359.50	3.12	-61.53
CC(OCC[NH+](C)C)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030554882	0	49	0.0	-75.15	387.87	2.95	-72.20
C[NH+](C)CCOCCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030554896	0	49	0.0	-74.43	394.31	2.25	-72.18
COCC[N@H+](C)CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030554898	1	46	0.0	-75.71	367.57	1.25	-74.46
COCC[N@@H+](C)CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030554898	1	46	0.0	-75.84	367.78	1.25	-74.59
O=C(NC1C=CCN(C(=O)C2C[NH+](C3CCOC3)C2)C1)C1=CC(=O)[N-]O1	REAL300030554901	0	48	0.0	-77.17	383.75	1.80	-75.37
CC(CCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030554907	0	48	0.0	-75.04	374.83	3.22	-71.82
C[NH+]1CCC(=CC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030554938	0	47	0.0	-74.52	370.03	3.72	-70.80
CC[N@H+](CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030554953	0	46	0.0	-71.28	366.08	3.45	-67.83
CC[N@@H+](CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030554953	1	46	0.0	-73.54	358.80	3.32	-70.22
C[NH+](C)C1(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CCCSC1	REAL300030554958	0	50	0.0	-73.49	374.74	3.46	-70.03
CC1C[N@@H+]2CCN1C(C(=O)N1CC=CC(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030554974	0	49	0.0	-83.39	367.13	0.06	-83.33
CC1C[N@H+]2CCN1C(C(=O)N1CC=CC(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030554974	1	49	0.0	-80.14	366.43	0.11	-80.03
C[N@@H+]1CC2CC1(C(=O)N1CC=CC(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030555017	0	44	0.0	-76.90	344.18	2.57	-74.33
C[N@H+]1CC2CC1(C(=O)N1CC=CC(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030555017	1	44	0.0	-72.63	344.66	2.42	-70.21
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030555031	1	46	0.0	-74.69	381.33	2.10	-72.59
CC1=C(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C=NN1CC[NH+](C)C	REAL300030555038	0	52	0.0	-81.81	418.50	3.08	-78.73
O=C(C[N@@H+]1CC2CCC1C2)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030555041	0	47	0.0	-68.82	364.12	3.50	-65.32
O=C(C[N@H+]1CC2CCC1C2)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030555041	1	47	0.0	-71.56	361.78	3.34	-68.22
CC(C)[NH+]1CCC(CC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030555062	0	55	0.0	-72.73	411.32	4.78	-67.95
CC(C[NH+](C)C)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030555079	0	45	0.0	-78.46	356.29	2.57	-75.89
C[N@@H+]1CC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C(C(F)(F)F)C1	REAL300030555098	0	46	0.0	-81.06	366.30	3.16	-77.90
C[N@H+]1CC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C(C(F)(F)F)C1	REAL300030555098	1	46	0.0	-82.60	361.99	3.34	-79.26
C[NH+](C)C1(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030555102	0	43	0.0	-67.06	339.62	2.13	-64.93
C[C@H](C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030555136	0	42	0.0	-70.00	333.75	1.70	-68.30
CC[N@@H+]1CCC1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030555150	1	43	0.0	-72.62	340.70	2.04	-70.58
CC[N@H+]1CCC1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030555150	1	43	0.0	-74.07	347.71	2.35	-71.72
CC(C)[N@@H+]1CCCC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030555171	0	52	0.0	-63.75	385.77	4.09	-59.66
CC(C)[N@H+]1CCCC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030555171	1	52	0.0	-67.64	391.99	3.94	-63.70
CN1C=C[NH+]=C1N1CCC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030555173	1	50	0.0	-71.09	395.20	3.88	-67.21
CCC(C)(C)[NH2+]C(C)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030555202	0	51	0.0	-72.02	379.49	1.70	-70.32
C#CC[N@H+]1CCCCC1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030555267	1	48	0.0	-71.90	382.30	4.14	-67.76
C#CC[N@@H+]1CCCCC1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030555267	1	48	0.0	-64.19	383.50	4.20	-59.99
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030555271	1	45	0.0	-68.47	368.49	2.04	-66.43
NC1=CC=[NH+]C=C1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030555273	0	39	0.0	-73.66	327.38	-0.67	-74.33
C[NH+](C)C(CC1=CC=CC=C1)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030555279	0	52	0.0	-81.47	402.59	5.23	-76.24
CCCC(C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030555290	0	48	0.0	-74.91	369.15	3.22	-71.69
C[NH+](C)C(C)(C)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030555300	0	45	0.0	-77.69	337.67	2.31	-75.38
CC(CC[NH+](C)C)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030555331	0	48	0.0	-75.75	373.03	2.99	-72.76
O=C(NC1C=CCN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1)C1=CC(=O)[N-]O1	REAL300030555404	0	53	0.0	-69.79	383.43	3.89	-65.90
O=C(NC1C=CCN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1)C1=CC(=O)[N-]O1	REAL300030555404	1	53	0.0	-65.48	387.81	4.57	-60.91
O=C(NC1C=CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1)C1=CC(=O)[N-]O1	REAL300030555445	0	48	0.0	-71.79	377.55	3.86	-67.93
O=C(NC1C=CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1)C1=CC(=O)[N-]O1	REAL300030555445	1	48	0.0	-72.33	369.27	4.75	-67.58
COCCCC[N@H+](C)CCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030555502	0	55	0.0	-81.71	434.20	3.29	-78.42
COCCCC[N@@H+](C)CCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030555502	1	55	0.0	-81.81	434.20	3.28	-78.53
C[NH+](C)C12CCC(C(=O)N3CC=CC(NC(=O)C4=CC(=O)[N-]O4)C3)(CC1)CC2	REAL300030555508	0	56	0.0	-67.38	391.41	4.63	-62.75
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030555517	0	49	0.0	-73.72	376.33	3.03	-70.69
C[N@H+]1CC(C)(C)CC1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030555517	1	49	0.0	-64.81	375.56	3.02	-61.79
C[NH+](C)CCCCCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030555523	0	51	0.0	-76.25	404.34	4.39	-71.86
O=C(CC[NH+]1CCC(O)CC1)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030555529	0	50	0.0	-79.90	392.08	0.51	-79.39
CCC[N@@H+]1CCCCC1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030555535	0	52	0.0	-64.30	397.41	4.38	-59.92
CCC[N@H+]1CCCCC1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030555535	1	52	0.0	-70.61	396.94	4.35	-66.26
CC[NH+]1CCN(CCC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030555545	0	54	0.0	-76.54	416.08	2.13	-74.41
CCN1CC[NH+](CCC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030555545	1	54	0.0	-77.78	416.05	2.11	-75.67
C[NH+]1CCN(CC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030555549	1	48	0.0	-73.89	376.50	0.90	-72.99
CC(C)C[NH+]1CCC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030555707	0	55	0.0	-80.83	414.11	4.88	-75.95
CC1C[N@H+](C)CC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030555711	1	47	0.0	-77.39	365.76	2.44	-74.95
CC1C[N@@H+](C)CC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030555711	1	47	0.0	-86.89	371.51	2.40	-84.49
CCC1CCC[N@H+](CC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030555757	0	52	0.0	-70.50	398.52	4.51	-65.99
CCC1CCC[N@@H+](CC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030555757	1	52	0.0	-70.60	391.50	4.47	-66.13
C[NH+](C)CC1=CC=C(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030555769	0	47	0.0	-87.20	380.28	3.07	-84.13
O=C(C[NH+]1CC2CC2C1)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030555795	0	44	0.0	-75.29	352.93	3.30	-71.99
O=C(CC1([NH+]2CCCC2)CC1)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030555820	0	50	0.0	-72.12	382.63	4.22	-67.90
CC([NH2+]C1(CO)CCCC1)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030555846	0	53	0.0	-73.11	395.65	-0.75	-73.86
C[N@@H+]1CCCCC1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030555887	0	46	0.0	-69.24	357.93	3.00	-66.24
C[N@H+]1CCCCC1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030555887	1	46	0.0	-71.39	357.63	2.96	-68.43
O=C(NC1C=CCN(C(=O)C2CC[N@@H+]2CC2=CC=CC=C2)C1)C1=CC(=O)[N-]O1	REAL300030555896	1	50	0.0	-67.39	400.38	5.03	-62.36
O=C(NC1C=CCN(C(=O)C2CC[N@H+]2CC2=CC=CC=C2)C1)C1=CC(=O)[N-]O1	REAL300030555896	1	50	0.0	-73.55	400.66	5.05	-68.50
CC(C)C[N@@H+]1CCCC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030555903	0	55	0.0	-61.19	413.41	4.97	-56.22
CC(C)C[N@H+]1CCCC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030555903	1	55	0.0	-73.78	414.07	4.86	-68.92
C[NH+](C)C1CCN(CC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030555989	0	54	0.0	-73.64	410.81	2.11	-71.53
C[N@@H+]1CCC(=CC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030556082	0	44	0.0	-72.78	354.31	2.97	-69.81
C[N@H+]1CCC(=CC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030556082	1	44	0.0	-78.55	354.22	3.02	-75.53
O=C(CNC1=CC=[NH+]C=C1)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030556090	0	42	0.0	-75.30	353.15	0.68	-74.62
CC[NH+]1CCN(CC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030556168	0	51	0.0	-72.78	394.24	1.58	-71.20
O=C(C=C1C[NH+]2CCC1CC2)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030556173	0	48	0.0	-69.61	372.72	3.83	-65.78
C[NH+](C)C1(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030556233	0	49	0.0	-68.54	357.19	3.00	-65.54
C[N@H+](CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300030556250	0	50	0.0	-64.38	388.44	0.79	-63.59
C[N@@H+](CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300030556250	1	50	0.0	-68.12	388.18	0.79	-67.33
CCC1C[NH+](CC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030556258	0	46	0.0	-71.20	370.04	3.20	-68.00
O=C(NC1C=CCN(C(=O)C2C[NH+](C3CCOCC3)C2)C1)C1=CC(=O)[N-]O1	REAL300030556262	0	51	0.0	-82.17	400.50	2.43	-79.74
O=C(NC1C=CCN(C(=O)C2([NH+]3CCCC3)CCC2)C1)C1=CC(=O)[N-]O1	REAL300030556265	0	50	0.0	-71.84	370.88	3.60	-68.24
C[N@@H+]1CCC[C@H]1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030556283	0	43	0.0	-71.24	339.84	2.26	-68.98
C[N@H+]1CCC[C@H]1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030556283	1	43	0.0	-64.06	333.20	2.00	-62.06
CC[N@@H+]1CCOCC1CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030556328	0	50	0.0	-79.39	385.69	1.93	-77.46
O=C(NC1C=CCN(C(=O)C2=CC(=O)NC3=C2CCC[NH2+]3)C1)C1=CC(=O)[N-]O1	REAL300030556337	0	47	0.0	-93.08	384.68	0.85	-92.23
O=C(NC1C=CCN(C(=O)C2C[NH+](C3CCCCC3)C2)C1)C1=CC(=O)[N-]O1	REAL300030556362	0	53	0.0	-77.33	408.37	4.76	-72.57
COC1C[N@@H+]2CCCC2(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030556384	0	51	0.0	-67.30	389.03	1.73	-65.57
COC1C[N@H+]2CCCC2(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030556384	1	51	0.0	-67.30	389.03	1.73	-65.57
NC1=NC2=CC(C(=O)N3CC=CC(NC(=O)C4=CC(=O)[N-]O4)C3)=CC=C2N1	REAL300030556467	0	43	0.0	-77.14	361.08	2.33	-74.81
NC1=[NH+]C2=CC(C(=O)N3CC=CC(NC(=O)C4=CC(=O)[N-]O4)C3)=CC=C2N1	REAL300030556467	1	43	0.0	-77.14	361.08	2.33	-74.81
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030556530	0	46	0.0	-66.27	366.41	3.14	-63.13
C[NH+](C)CCC1(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030556546	0	55	0.0	-60.16	406.41	4.42	-55.74
CC1CCCC(C)[NH+]1CCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030556548	0	55	0.0	-73.85	408.03	4.57	-69.28
C[NH+](C)C1CCC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030556551	0	52	0.0	-72.51	385.27	3.81	-68.70
C[NH+](C)CCC1(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030556552	0	49	0.0	-62.78	388.66	3.78	-59.00
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030556557	0	52	0.0	-71.08	385.40	3.79	-67.29
C[N@@H+]1CC=CCC1CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030556558	0	47	0.0	-66.53	363.68	3.49	-63.04
C[N@H+]1CC=CCC1CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030556558	1	47	0.0	-78.77	368.66	3.51	-75.26
CC1=CC(C=CC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)=C[NH+]=C1N	REAL300030556638	1	46	0.0	-78.56	381.51	2.41	-76.15
C[NH+](C)CCOCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030556655	0	46	0.0	-74.92	373.34	2.56	-72.36
CCCCC[N@H+](C)CCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030556663	0	54	0.0	-78.64	422.03	5.00	-73.64
CCCCC[N@@H+](C)CCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030556663	1	54	0.0	-78.83	422.03	4.99	-73.84
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030556680	0	50	0.0	-75.10	392.28	3.27	-71.83
[NH2+]=C1SC=CN1CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030556717	0	39	0.0	-69.48	344.52	1.59	-67.89
C[C@@H](OCC[NH+](C)C)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030556839	0	49	0.0	-70.33	390.15	3.05	-67.28
C[NH+]1CCC(O)(C2(C(=O)N3CC=CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030556844	0	54	0.0	-76.55	405.16	1.52	-75.03
O=C(CC[NH+]1CCCCCC1)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030556937	0	52	0.0	-76.63	389.37	4.23	-72.40
O=C(C[NH+]1CCCCC1)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030556943	0	46	0.0	-74.86	359.21	3.28	-71.58
C[N@@H+]1CCCC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030556945	0	46	0.0	-72.86	361.19	2.90	-69.96
C[N@H+]1CCCC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030556945	1	46	0.0	-69.89	357.70	2.76	-67.13
O=C(C[NH+]1CCC(CO)CC1)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030556947	0	50	0.0	-76.80	391.22	0.57	-76.23
O=C(C[NH+]1CCCCCC1)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030556953	0	49	0.0	-74.56	368.45	3.47	-71.09
CN1C=C[N+](CC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030556960	0	41	0.0	-71.69	348.66	4.92	-66.77
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030556983	0	55	0.0	-83.95	402.61	4.03	-79.92
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030556983	1	55	0.0	-85.02	394.87	3.56	-81.46
C[NH+](C)CC1=CC=C(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030556989	1	46	0.0	-82.95	378.88	3.26	-79.69
C[NH+](C)CC1=CC=C(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300030556999	0	48	0.0	-80.45	389.27	2.67	-77.78
O=C(C[NH+]1CCC(O)CC1)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030557023	1	47	0.0	-80.31	370.63	-0.09	-80.40
C[N@H+](CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030557031	0	43	0.0	-71.84	346.71	2.82	-69.02
C[N@@H+](CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030557031	1	43	0.0	-72.39	346.84	2.83	-69.56
CC(C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300030557033	1	51	0.0	-69.13	387.16	1.03	-68.10
O=C(CC[N@H+]1CCC(F)C1)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030557041	0	46	0.0	-82.22	371.63	3.27	-78.95
O=C(CC[N@@H+]1CCC(F)C1)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030557041	1	46	0.0	-81.79	372.12	3.29	-78.50
COC1C[N@H+](C)C(C)(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030557060	0	50	0.0	-72.52	379.74	1.15	-71.37
COC1C[N@@H+](C)C(C)(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030557060	1	50	0.0	-66.01	378.91	0.81	-65.20
C[NH+](C)CCC1=CC=CC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030557083	0	52	0.0	-87.33	416.06	5.37	-81.96
CC(CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030557090	0	48	0.0	-77.37	374.62	3.46	-73.91
O=C(NC1C=CCN(C(=O)C2CC[N@@H+]3CCOCC23)C1)C1=CC(=O)[N-]O1	REAL300030557117	0	48	0.0	-74.76	369.41	1.46	-73.30
O=C(NC1C=CCN(C(=O)C2CC[N@H+]3CCOCC23)C1)C1=CC(=O)[N-]O1	REAL300030557117	1	48	0.0	-68.03	368.39	1.52	-66.51
CC1=[NH+]C=C2C=CC(C(=O)N3CC=CC(NC(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300030557127	0	44	0.0	-73.60	373.62	4.54	-69.06
C[N@@H+]1CCOCC1CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030557152	1	47	0.0	-78.56	367.95	1.26	-77.30
C[N@H+]1CCOCC1CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030557152	1	47	0.0	-76.58	368.15	1.25	-75.33
C[NH+](C)CC(C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300030557164	0	52	0.0	-76.66	412.10	5.33	-71.33
CC[NH+]1CCN(CC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030557170	0	51	0.0	-72.78	394.24	1.58	-71.20
CC1=CC(N)=[NH+]C=C1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030557253	1	42	0.0	-76.97	349.06	0.65	-76.32
NC1=CC=C(CCC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300030557256	0	45	0.0	-74.61	376.46	1.96	-72.65
O=C(NC1C=CCN(C(=O)C2(CC[NH+]3CCCCC3)CC2)C1)C1=CC(=O)[N-]O1	REAL300030557289	0	56	0.0	-75.16	431.88	5.70	-69.46
CC1(O)CC[N@H+](CC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030557331	0	47	0.0	-73.48	373.45	-0.17	-73.65
CC1(O)CC[N@@H+](CC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030557331	1	47	0.0	-75.26	374.08	-0.15	-75.41
C[NH+](C)CCN1N=CC=C1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030557342	0	49	0.0	-66.81	393.70	2.61	-64.20
C[NH+]1CC(CC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030557385	0	43	0.0	-75.54	348.76	2.29	-73.25
O=C(NC1C=CCN(C(=O)C2CC[N@@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300030557391	0	50	0.0	-70.93	374.82	3.99	-66.94
O=C(NC1C=CCN(C(=O)C2CC[N@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300030557391	1	50	0.0	-73.48	382.07	3.83	-69.65
C[N@H+](CCO)CCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030557451	0	46	0.0	-77.00	367.88	-0.53	-77.53
C[N@@H+](CCO)CCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030557451	1	46	0.0	-75.91	367.84	-0.54	-76.45
C[C@@H](C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030557452	0	42	0.0	-66.06	333.32	1.75	-64.31
C[N@@H+]1CCCCC1CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030557480	0	49	0.0	-74.63	376.52	3.62	-71.01
C[N@H+]1CCCCC1CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030557480	1	49	0.0	-65.38	369.34	3.49	-61.89
CC1=C2C=C(C(=O)N3CC=CC(NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030557515	1	44	0.0	-76.27	374.25	5.36	-70.91
CC(C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300030557516	0	46	0.0	-72.11	360.87	2.85	-69.26
CC1CC[N@@H+]1CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030557522	1	43	0.0	-67.82	343.29	2.19	-65.63
CC1CC[N@H+]1CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030557522	1	43	0.0	-68.01	348.91	2.48	-65.53
C[NH+](C)CC=CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030557543	0	43	0.0	-79.18	352.31	2.63	-76.55
CC1(C)C[NH+](CC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030557561	1	46	0.0	-70.37	368.14	3.05	-67.32
O=C(CCCC[NH+]1CCCCC1)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030557576	0	55	0.0	-76.10	424.44	5.46	-70.64
CC1=C(C)[NH+]=C(CCC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030557593	1	47	0.0	-70.27	387.71	2.75	-67.52
C[N@@H+]1CCC2=C(C1)SC(C(=O)N1CC=CC(NC(=O)C3=CC(=O)[N-]O3)C1)=C2	REAL300030557594	1	47	0.0	-80.18	387.21	4.03	-76.15
C[N@H+]1CCC2=C(C1)SC(C(=O)N1CC=CC(NC(=O)C3=CC(=O)[N-]O3)C1)=C2	REAL300030557594	1	47	0.0	-83.24	387.11	4.04	-79.20
C[NH+]1CCC(C2(C(=O)N3CC=CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030557608	0	53	0.0	-75.59	399.07	5.04	-70.55
CC1=C2C=C(C(=O)N3CC=CC(NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030557619	1	44	0.0	-76.27	374.25	5.36	-70.91
C[NH+](C)CCSCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030557635	0	46	0.0	-80.64	384.37	3.44	-77.20
CC(C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300030557657	0	52	0.0	-75.09	410.54	5.38	-69.71
CC(C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300030557657	1	52	0.0	-76.41	410.47	5.35	-71.06
NC1=[NH+]C2=C(C=C1C(=O)N1CC=CC(NC(=O)C3=CC(=O)[N-]O3)C1)CCCC2	REAL300030557661	1	49	0.0	-65.56	391.11	2.74	-62.82
O=C(C[N@H+]1CCCC1CO)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030557670	0	47	0.0	-69.16	372.35	-0.06	-69.22
O=C(C[N@@H+]1CCCC1CO)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030557670	1	47	0.0	-69.31	367.19	-0.52	-69.83
CC[NH+](CC)CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030557673	0	45	0.0	-73.51	353.53	2.75	-70.76
C[N@H+](CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300030557690	0	47	0.0	-81.14	376.96	3.66	-77.48
C[N@@H+](CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300030557690	1	47	0.0	-79.22	376.70	3.66	-75.56
O=C(C[NH+]1CCC1)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030557692	1	40	0.0	-75.31	327.82	1.89	-73.42
CC[NH+](CC)CCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030557760	0	48	0.0	-76.05	375.42	3.40	-72.65
NC(=O)C1CC[NH+](CC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030557786	0	50	0.0	-89.74	395.20	-0.04	-89.78
C[NH+](C)CC1=CNC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030557850	0	47	0.0	-79.14	380.36	2.91	-76.23
CC(C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300030557876	0	50	0.0	-76.49	386.35	0.25	-76.24
O=C(NC1C=CCN(C(=O)C2CC3COCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030557885	0	48	0.0	-67.01	375.34	1.73	-65.28
O=C(NC1C=CCN(C(=O)C2CC3COCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030557885	1	48	0.0	-77.24	372.29	1.59	-75.65
CC(C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030557907	1	43	0.0	-74.57	337.69	2.04	-72.53
CCC(CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030557921	0	51	0.0	-77.89	388.69	3.94	-73.95
NC1=CC=C(C=CC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300030557930	0	43	0.0	-79.50	363.72	1.65	-77.85
C[NH+](C)CC(C)(C)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030557931	0	48	0.0	-75.72	357.69	2.53	-73.19
C[NH+](C)C(CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300030557978	0	52	0.0	-82.88	407.06	5.45	-77.43
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030558021	0	46	0.0	-73.43	349.90	2.71	-70.72
C[N@H+]1CCCC[C@@H]1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030558021	1	46	0.0	-71.85	356.99	2.93	-68.92
CC1CN2CC[N@@H+]1CC2C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030558039	0	49	0.0	-75.16	366.88	-0.01	-75.17
CC1CN2CC[N@H+]1CC2C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030558039	1	49	0.0	-70.41	363.79	-0.05	-70.46
C[NH+](C)CC(O)CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030558075	0	46	0.0	-80.68	370.14	0.44	-80.24
C[NH+]1C2CCC1CC(C(=O)N1CC=CC(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030558078	0	50	0.0	-68.59	376.46	3.50	-65.09
C#CC1(O)CC[NH+](C(C)C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030558120	0	52	0.0	-73.20	401.94	0.95	-72.25
C=CCC(C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030558135	0	46	0.0	-74.44	360.65	2.96	-71.48
O=C(NC1C=CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030558151	0	50	0.0	-74.05	382.38	3.97	-70.08
O=C(NC1C=CCN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030558151	1	50	0.0	-79.74	381.60	3.97	-75.77
C[NH+]1CCC(C)(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030558169	0	49	0.0	-63.03	364.23	2.85	-60.18
C[NH+]1CCC(O)(CC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030558175	0	50	0.0	-73.35	385.18	1.85	-71.50
COCC[N@@H+]1CCCC1CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030558194	0	53	0.0	-62.36	408.05	3.36	-59.00
COCC[N@H+]1CCCC1CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030558194	1	53	0.0	-71.97	412.65	2.75	-69.22
C[NH+]1C2CCC1CC(CC(=O)N1CC=CC(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030558210	0	53	0.0	-74.00	396.11	4.40	-69.60
C[NH+](C)CCN1N=CC=C1C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030558255	0	49	0.0	-66.69	394.68	2.79	-63.90
C[N@@H+]1CCC2=C(C1)SC(C(=O)NC1C=CCN(C(=O)C3=CC(=O)[N-]O3)C1)=C2	REAL300030558297	1	47	0.0	-68.18	388.90	4.38	-63.80
C[N@H+]1CCC2=C(C1)SC(C(=O)NC1C=CCN(C(=O)C3=CC(=O)[N-]O3)C1)=C2	REAL300030558297	1	47	0.0	-80.77	388.41	4.34	-76.43
C[NH+]1CCC(C2(C(=O)NC3C=CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030558309	0	53	0.0	-62.14	402.39	5.01	-57.13
CC1=C2C=C(C(=O)NC3C=CCN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030558322	1	44	0.0	-61.98	367.10	5.39	-56.59
C[NH+](C)CCSCC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030558337	0	46	0.0	-66.43	381.65	3.22	-63.21
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2COCC[N@@H+]2C1	REAL300030558349	0	48	0.0	-61.03	373.57	1.61	-59.42
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2COCC[N@H+]2C1	REAL300030558349	1	48	0.0	-60.97	373.45	1.67	-59.30
C[N@@H+]1CCCC1C(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030558515	0	55	0.0	-76.56	390.71	4.72	-71.84
C[N@H+]1CCCC1C(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030558515	1	55	0.0	-75.86	390.74	4.75	-71.11
C[N@@H+]1CCOC(C(=O)NCC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030558539	1	56	0.0	-79.13	400.87	4.48	-74.65
C[N@H+]1CCOC(C(=O)NCC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030558539	1	56	0.0	-82.94	401.07	4.46	-78.48
CC1=[NH+]C=CN1CC(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030558679	1	53	0.0	-70.83	400.06	5.78	-65.05
C[C@@H]1[C@H](C(=O)NCC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC[N@@H+]1C	REAL300030558704	0	58	0.0	-79.56	407.97	5.29	-74.27
C[C@@H]1[C@H](C(=O)NCC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC[N@H+]1C	REAL300030558704	1	58	0.0	-77.10	410.50	5.63	-71.47
C[NH+](C)C1(C(=O)NCC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CCC1	REAL300030558733	0	58	0.0	-70.41	404.73	5.70	-64.71
CC(C)[C@@H](C(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300030558735	0	60	0.0	-71.51	418.20	6.30	-65.21
C[N@H+](CC(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CCC1	REAL300030558749	0	58	0.0	-72.12	416.75	6.15	-65.97
C[N@@H+](CC(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CCC1	REAL300030558749	1	58	0.0	-72.78	416.45	6.18	-66.60
C[NH+]1CCC(C(=O)NCC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300030558782	0	58	0.0	-83.47	414.91	5.86	-77.61
C[N@@H+]1CCCCC1C(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030558793	0	58	0.0	-71.74	403.10	5.63	-66.11
C[N@H+]1CCCCC1C(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030558793	1	58	0.0	-72.74	403.00	5.64	-67.10
CC1=C[NH+]=CN1CC(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030558819	1	53	0.0	-74.64	400.09	6.55	-68.09
C[N@@H+]1CCC(CC(=O)NCC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030558829	0	58	0.0	-80.18	416.99	5.77	-74.41
C[N@H+]1CCC(CC(=O)NCC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030558829	1	58	0.0	-80.88	416.65	5.76	-75.12
CCC(C(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300030558832	0	57	0.0	-69.48	398.71	5.29	-64.19
C[NH+](C)CCCCC(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030558851	0	60	0.0	-80.80	435.87	6.39	-74.41
CC(C)C(C(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300030558856	0	60	0.0	-74.14	420.43	6.33	-67.81
CCC[N@H+](C)CCC(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030558857	0	60	0.0	-78.77	432.23	6.12	-72.65
CCC[N@@H+](C)CCC(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030558857	1	60	0.0	-78.84	432.10	6.20	-72.64
CCC[N@H+](C)CC(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030558858	0	57	0.0	-74.70	409.73	5.65	-69.05
CCC[N@@H+](C)CC(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030558858	1	57	0.0	-74.86	409.55	5.62	-69.24
C[N@@H+]1CCC[C@@H]1C(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030558876	0	55	0.0	-74.49	390.68	4.71	-69.78
C[N@H+]1CCC[C@@H]1C(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030558876	1	55	0.0	-71.93	395.48	5.32	-66.61
CC[NH+](CC)CC(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030558891	0	57	0.0	-72.90	406.36	5.53	-67.37
C[NH+](C)CC1(C(=O)NCC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300030558949	0	58	0.0	-80.91	421.78	5.90	-75.01
C[NH+]1CCC(C(=O)NCC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300030558976	0	58	0.0	-83.47	414.91	5.86	-77.61
CC(C)[C@H](C(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300030558991	0	60	0.0	-73.97	418.42	6.44	-67.53
CC[N@H+](C)CCC(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030559030	0	57	0.0	-77.99	410.62	5.39	-72.60
CC[N@@H+](C)CCC(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030559030	1	57	0.0	-78.09	410.60	5.46	-72.63
CC1CCC[N@@H+]1CC(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030559043	0	58	0.0	-71.85	416.84	5.86	-65.99
CC1CCC[N@H+]1CC(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030559043	1	58	0.0	-72.17	415.85	6.03	-66.14
CC1CC[N@H+](CC(=O)NCC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030559044	0	58	0.0	-74.17	415.90	5.95	-68.22
CC1CC[N@@H+](CC(=O)NCC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030559044	1	58	0.0	-74.24	415.87	5.91	-68.33
CC[C@@H](C(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300030559047	0	57	0.0	-70.20	401.11	5.17	-65.03
C[NH+](C)CC(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030559089	0	51	0.0	-75.04	370.50	4.24	-70.80
CN1C=C[N+](CC(=O)NCC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)=C1	REAL300030559090	0	53	0.0	-72.91	401.73	7.75	-65.16
C[N@@H+]1CCCC(C(=O)NCC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030559093	0	58	0.0	-66.16	408.94	6.00	-60.16
C[N@H+]1CCCC(C(=O)NCC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030559093	1	58	0.0	-67.59	408.74	6.06	-61.53
CC(C(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+]1CCC1	REAL300030559103	1	55	0.0	-73.06	399.61	5.22	-67.84
C[NH+](C)CC(C)(C)C(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030559107	0	60	0.0	-67.71	418.11	5.95	-61.76
C[N@H+](CC(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CC1	REAL300030559114	0	55	0.0	-71.40	399.77	5.65	-65.75
C[N@@H+](CC(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CC1	REAL300030559114	1	55	0.0	-71.37	399.90	5.58	-65.79
C[NH+]1CC(CC(=O)NCC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030559126	0	55	0.0	-76.30	401.90	5.01	-71.29
C[C@@H](C(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300030559139	0	54	0.0	-72.17	387.76	4.64	-67.53
C[N@H+](CCO)CCC(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030559181	0	58	0.0	-77.88	420.95	2.24	-75.64
C[N@@H+](CCO)CCC(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030559181	1	58	0.0	-76.83	420.93	2.22	-74.61
C[C@@H](C(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300030559182	0	54	0.0	-72.17	387.76	4.64	-67.53
C[N@@H+]1CCCC[C@@H]1C(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030559185	0	58	0.0	-71.91	403.31	5.68	-66.23
C[N@H+]1CCCC[C@@H]1C(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030559185	1	58	0.0	-71.66	412.70	5.86	-65.80
C[N@@H+]1CCC(=CC(=O)NCC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030559223	0	56	0.0	-80.51	408.54	5.76	-74.75
C[N@H+]1CCC(=CC(=O)NCC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030559223	1	56	0.0	-80.75	409.61	5.71	-75.04
C[NH+](C)CCOCC(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030559234	0	58	0.0	-76.69	426.38	5.30	-71.39
C[C@H](C(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300030559245	0	54	0.0	-73.83	388.72	4.57	-69.26
CC1C[NH+](CC(=O)NCC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030559263	1	55	0.0	-75.17	401.50	5.27	-69.90
C[N@H+](CCO)CC(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030559276	1	55	0.0	-76.15	398.41	1.64	-74.51
C[N@@H+](CCO)CC(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030559276	1	55	0.0	-75.55	398.78	1.68	-73.87
CC(CC(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C[NH+](C)C	REAL300030559288	0	60	0.0	-83.12	427.55	6.23	-76.89
CC[N@H+](C)CC(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030559290	0	54	0.0	-74.57	388.06	4.88	-69.69
CC[N@@H+](C)CC(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030559290	1	54	0.0	-74.49	388.06	4.87	-69.62
CC[N@H+](CC(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CC1	REAL300030559303	0	58	0.0	-70.96	419.12	6.20	-64.76
CC[N@@H+](CC(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1CC1	REAL300030559303	1	58	0.0	-72.32	416.71	6.26	-66.06
CC[NH+](CC)CCC(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030559310	0	60	0.0	-77.07	428.15	6.17	-70.90
C[NH+](C)CC=CC(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030559326	0	55	0.0	-82.52	407.86	5.44	-77.08
COCC[N@H+](C)CC(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030559335	1	58	0.0	-75.15	421.04	4.08	-71.07
COCC[N@@H+](C)CC(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030559335	1	58	0.0	-76.50	420.66	4.04	-72.46
CC(CCC(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300030559347	0	60	0.0	-76.58	427.65	5.97	-70.61
CC[N@@H+]1CCC1C(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030559353	1	55	0.0	-72.33	395.45	4.97	-67.36
CC[N@H+]1CCC1C(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030559353	1	55	0.0	-75.16	402.45	5.13	-70.03
C=CCC(C(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300030559381	0	58	0.0	-69.25	414.01	5.72	-63.53
O=C(C[NH+]1CC2CC2C1)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030559389	0	56	0.0	-75.19	405.66	6.09	-69.10
CCCC(C(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+](C)C	REAL300030559398	0	60	0.0	-70.19	422.11	5.96	-64.23
C[NH+](C)C(C)(C)C(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030559400	0	57	0.0	-82.86	398.09	5.32	-77.54
C[N@@H+]1CCCCC1C(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030559412	0	58	0.0	-71.74	403.10	5.63	-66.11
C[N@H+]1CCCCC1C(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030559412	1	58	0.0	-72.74	403.00	5.64	-67.10
C[NH+](C)C1(C(=O)NCC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC1	REAL300030559454	0	55	0.0	-83.89	393.98	5.27	-78.62
O=C(CC[NH+]1CCCC1)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030559455	0	58	0.0	-77.48	418.97	5.90	-71.58
C[N@@H+]1CC2CC1(C(=O)NCC13CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC3)C2	REAL300030559468	0	56	0.0	-83.68	402.75	5.38	-78.30
C[N@H+]1CC2CC1(C(=O)NCC13CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC3)C2	REAL300030559468	1	56	0.0	-83.98	400.11	5.82	-78.16
CC(C[NH+](C)C)C(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030559506	0	57	0.0	-77.62	409.04	5.44	-72.18
CC(C(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)[NH+]1CC(C)C1	REAL300030559531	1	58	0.0	-72.01	418.19	5.91	-66.10
CC1CC[N@@H+]1CC(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030559532	1	55	0.0	-72.42	396.43	5.03	-67.39
CC1CC[N@H+]1CC(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030559532	1	55	0.0	-73.59	401.67	5.29	-68.30
C[NH+](C)CC(O)CC(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030559534	0	58	0.0	-82.89	422.97	3.28	-79.61
C[NH+](C)[C@H]1C[C@H](C(=O)NCC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030559569	0	58	0.0	-78.94	420.07	5.91	-73.03
CC(CC[NH+](C)C)C(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030559571	0	60	0.0	-77.90	430.69	6.06	-71.84
NC(=[NH2+])SCC(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030559595	0	49	0.0	-79.64	378.42	1.19	-78.45
CCC1C[NH+](CC(=O)NCC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C1	REAL300030559663	1	58	0.0	-75.94	422.90	6.03	-69.91
C[N@@H+]1CCC[C@H]1C(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030559667	0	55	0.0	-71.64	396.42	5.29	-66.35
C[N@H+]1CCC[C@H]1C(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030559667	1	55	0.0	-73.94	390.58	4.81	-69.13
O=C(C[NH+]1CCCCC1)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030559676	0	58	0.0	-74.83	412.22	6.11	-68.72
CC1C(C(=O)NCC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC[N@@H+]1C	REAL300030559680	0	58	0.0	-75.88	416.32	5.76	-70.12
CC1C(C(=O)NCC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)CC[N@H+]1C	REAL300030559680	1	58	0.0	-75.01	411.79	5.43	-69.58
C[N@@H+]1CCCC1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030559862	0	55	0.0	-61.86	395.81	5.12	-56.74
C[N@H+]1CCCC1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030559862	1	55	0.0	-62.42	396.57	5.20	-57.22
C[N@@H+]1CCC(CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCC23)C1	REAL300030560037	0	58	0.0	-67.92	420.21	6.00	-61.92
C[N@H+]1CCC(CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCC23)C1	REAL300030560037	1	58	0.0	-68.41	420.11	5.99	-62.42
CCC(C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12)[NH+](C)C	REAL300030560040	0	57	0.0	-64.97	401.12	5.24	-59.73
C[NH+](C)CCCCC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560054	0	60	0.0	-69.40	439.05	6.52	-62.88
CCC[N@H+](C)CCC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560060	0	60	0.0	-68.63	435.27	6.37	-62.26
CCC[N@@H+](C)CCC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560060	1	60	0.0	-68.15	435.27	6.36	-61.79
CCC[N@H+](C)CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560061	0	57	0.0	-65.58	412.90	5.75	-59.83
CCC[N@@H+](C)CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560061	1	57	0.0	-65.83	412.91	5.75	-60.08
C[NH+](C)CC1(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCC23)CC1	REAL300030560095	0	58	0.0	-78.06	410.48	5.78	-72.28
CC[N@H+](C)CCC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560102	0	57	0.0	-67.90	413.77	5.63	-62.27
CC[N@@H+](C)CCC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560102	1	57	0.0	-67.43	413.77	5.62	-61.81
C[NH+]1CCC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCC23)CC1	REAL300030560123	0	58	0.0	-69.97	416.40	5.84	-64.13
CC1CCC[N@@H+]1CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560177	0	58	0.0	-62.71	419.70	6.00	-56.71
CC1CCC[N@H+]1CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560177	1	58	0.0	-63.26	419.23	6.16	-57.10
CC1CC[N@H+](CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCC23)C1	REAL300030560195	0	58	0.0	-65.18	419.79	6.10	-59.08
CC1CC[N@@H+](CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCC23)C1	REAL300030560195	1	58	0.0	-65.71	419.70	6.08	-59.63
CC[C@@H](C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12)[NH+](C)C	REAL300030560197	0	57	0.0	-62.12	404.58	5.41	-56.71
CC1=[NH+]C=CN1CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560236	1	53	0.0	-61.06	403.11	5.95	-55.11
CC1=C[NH+]=CN1CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560258	1	53	0.0	-66.82	403.44	6.68	-60.14
C[C@@H]1[C@H](C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCC23)CC[N@@H+]1C	REAL300030560260	0	58	0.0	-71.48	409.03	5.79	-65.69
C[C@@H]1[C@H](C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCC23)CC[N@H+]1C	REAL300030560260	1	58	0.0	-71.08	412.95	6.09	-64.99
C[N@H+](CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12)C1CCC1	REAL300030560294	0	58	0.0	-61.80	419.77	6.31	-55.49
C[N@@H+](CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12)C1CCC1	REAL300030560294	1	58	0.0	-64.29	419.91	6.33	-57.96
C[NH+]1CCC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCC23)CC1	REAL300030560303	0	58	0.0	-69.97	416.40	5.84	-64.13
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560314	0	55	0.0	-68.18	392.32	4.88	-63.30
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560314	1	55	0.0	-62.03	395.29	5.09	-56.94
CC1C(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCC23)CC[N@@H+]1C	REAL300030560386	0	58	0.0	-69.50	413.15	5.92	-63.58
CC1C(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCC23)CC[N@H+]1C	REAL300030560386	1	58	0.0	-66.97	413.36	5.41	-61.56
C[C@@H](C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12)[NH+](C)C	REAL300030560423	0	54	0.0	-65.15	388.66	4.67	-60.48
O=C(CC[NH+]1CCCC1)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560442	0	58	0.0	-67.23	422.00	6.11	-61.12
C[N@H+](CCO)CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560447	1	55	0.0	-67.51	401.76	1.77	-65.74
C[N@@H+](CCO)CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560447	1	55	0.0	-65.33	401.84	1.76	-63.57
CC1C[NH+](CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCC23)C1	REAL300030560499	1	55	0.0	-65.41	404.86	5.40	-60.01
NC1=[NH+]C=CC=C1CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560503	0	54	0.0	-59.86	407.93	4.19	-55.67
CC[N@H+](C)CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560532	0	54	0.0	-65.33	391.41	5.01	-60.32
CC[N@@H+](C)CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560532	1	54	0.0	-65.48	391.41	5.01	-60.47
COCC[N@H+](C)CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560583	1	58	0.0	-64.78	424.10	4.17	-60.61
COCC[N@@H+](C)CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560583	1	58	0.0	-67.75	424.01	4.17	-63.58
CC(CCC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12)[NH+](C)C	REAL300030560585	0	60	0.0	-72.00	426.86	6.16	-65.84
CC[N@H+](CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12)C1CC1	REAL300030560590	0	58	0.0	-61.83	422.28	6.37	-55.46
CC[N@@H+](CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12)C1CC1	REAL300030560590	1	58	0.0	-62.59	419.92	6.37	-56.22
CC(C[NH+](C)C)C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560613	0	57	0.0	-58.24	410.48	5.45	-52.79
C[C@H](C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12)[NH+](C)C	REAL300030560627	0	54	0.0	-66.30	389.09	4.67	-61.63
CC[N@@H+]1CCC1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560630	1	55	0.0	-65.20	405.04	5.34	-59.86
CC[N@H+]1CCC1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560630	1	55	0.0	-64.88	404.62	5.27	-59.61
NC1=CC=[NH+]C=C1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560651	0	51	0.0	-69.39	383.87	2.28	-67.11
CCCC(C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12)[NH+](C)C	REAL300030560656	0	60	0.0	-66.33	422.58	6.01	-60.32
CC(CC[NH+](C)C)C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560668	0	60	0.0	-67.57	434.47	6.14	-61.43
O=C(C[NH+]1CC2CC2C1)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560738	0	56	0.0	-65.48	409.01	6.21	-59.27
C[N@@H+]1CCCCC1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560747	0	58	0.0	-61.12	403.04	5.40	-55.72
C[N@H+]1CCCCC1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560747	1	58	0.0	-58.86	414.38	5.88	-52.98
C[N@@H+]1CCC(=CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCC23)C1	REAL300030560771	0	56	0.0	-70.13	410.57	5.93	-64.20
C[N@H+]1CCC(=CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCC23)C1	REAL300030560771	1	56	0.0	-69.18	410.64	5.95	-63.23
O=C(CNC1=CC=[NH+]C=C1)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560772	0	54	0.0	-67.12	409.39	3.61	-63.51
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560795	0	55	0.0	-61.92	395.43	5.12	-56.80
C[N@H+]1CCC[C@H]1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560795	1	55	0.0	-69.24	392.15	4.88	-64.36
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCC23)C1	REAL300030560840	0	58	0.0	-61.45	420.73	5.94	-55.51
C[NH+](C)CCOCC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560860	0	58	0.0	-64.47	429.35	5.36	-59.11
O=C(C[NH+]1CCCCC1)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560893	0	58	0.0	-65.81	415.40	6.22	-59.59
C[N@@H+]1CCCC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCC23)C1	REAL300030560894	0	58	0.0	-56.09	405.73	5.78	-50.31
C[N@H+]1CCCC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCC23)C1	REAL300030560894	1	58	0.0	-66.32	418.31	5.87	-60.45
CN1C=C[N+](CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCC23)=C1	REAL300030560895	0	53	0.0	-61.80	404.92	7.85	-53.95
C[N@H+](CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12)C1CC1	REAL300030560904	0	55	0.0	-63.63	402.94	5.77	-57.86
C[N@@H+](CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12)C1CC1	REAL300030560904	1	55	0.0	-63.83	403.08	5.75	-58.08
CC(CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12)C[NH+](C)C	REAL300030560914	0	60	0.0	-67.34	430.87	6.40	-60.94
CC1=CC(N)=[NH+]C=C1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560939	1	54	0.0	-68.35	406.15	3.61	-64.74
C[NH+]1CC(CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCC23)C1	REAL300030560964	0	55	0.0	-68.70	405.12	5.20	-63.50
C[NH+](C)CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560971	0	51	0.0	-66.20	373.69	4.33	-61.87
C[N@H+](CCO)CCC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560981	0	58	0.0	-68.77	424.12	2.40	-66.37
C[N@@H+](CCO)CCC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560981	1	58	0.0	-67.65	424.14	2.38	-65.27
C[C@@H](C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12)[NH+](C)C	REAL300030560982	0	54	0.0	-65.15	388.66	4.67	-60.48
CC(C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12)[NH+]1CC(C)C1	REAL300030560992	0	58	0.0	-66.36	421.54	5.94	-60.42
CC1CC[N@@H+]1CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560993	1	55	0.0	-63.36	405.12	5.47	-57.89
CC1CC[N@H+]1CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560993	1	55	0.0	-64.01	399.74	5.12	-58.89
C[NH+](C)CC=CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560995	0	55	0.0	-72.12	408.49	5.57	-66.55
CC1(C)C[NH+](CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCC23)C1	REAL300030560998	1	58	0.0	-65.95	424.34	5.98	-59.97
CC[NH+](CC)CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030561016	0	57	0.0	-63.27	409.31	5.66	-57.61
O=C(C[NH+]1CCC1)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030561022	1	52	0.0	-65.49	384.01	4.84	-60.65
CC[NH+](CC)CCC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030561039	0	60	0.0	-66.71	427.27	6.03	-60.68
CC(C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12)[NH+]1CCC1	REAL300030561066	1	55	0.0	-60.88	402.25	5.26	-55.62
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030561086	0	58	0.0	-61.05	403.21	5.39	-55.66
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030561086	1	58	0.0	-60.35	414.01	5.95	-54.40
C[NH+](C)CC(O)CC(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030561094	0	58	0.0	-70.66	426.39	3.29	-67.37
C=CCC(C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12)[NH+](C)C	REAL300030561108	0	58	0.0	-63.91	413.84	5.68	-58.23
C[N@@H+]1CCCC1C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030561309	0	52	0.0	-60.48	387.96	4.05	-56.43
C[N@H+]1CCCC1C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030561309	1	52	0.0	-61.17	388.32	4.17	-57.00
C[N@@H+]1CCOC(C(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030561333	1	53	0.0	-65.99	399.73	3.57	-62.42
C[N@H+]1CCOC(C(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030561333	1	53	0.0	-73.91	392.61	3.40	-70.51
CC(C)[N@@H+]1CCCC1C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030561489	0	58	0.0	-60.16	421.30	5.22	-54.94
CC(C)[N@H+]1CCCC1C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030561489	1	58	0.0	-60.20	421.18	5.25	-54.95
CC1=[NH+]C=CN1CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030561522	1	50	0.0	-60.68	391.78	4.72	-55.96
O=C(NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1C[NH+]2CCC1CC2	REAL300030561550	0	56	0.0	-72.68	403.52	4.91	-67.77
C[C@@H]1[C@H](C(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030561584	0	55	0.0	-61.86	399.85	4.31	-57.55
C[C@@H]1[C@H](C(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030561584	1	55	0.0	-61.92	405.19	4.34	-57.58
CC[C@@H]1[C@@H](C(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030561586	0	58	0.0	-63.24	419.91	4.80	-58.44
CC[C@@H]1[C@@H](C(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030561586	1	58	0.0	-60.10	423.45	5.33	-54.77
CC[N@@H+]1CCOC(C(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030561593	1	56	0.0	-73.02	417.49	4.21	-68.81
CC[N@H+]1CCOC(C(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030561593	1	56	0.0	-64.20	417.43	4.22	-59.98
CC[NH+](CC)CC(F)C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030561621	0	57	0.0	-68.33	424.21	5.01	-63.32
CC1CCC(C)[NH+]1CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030561657	0	58	0.0	-60.11	419.43	5.13	-54.98
O=C(CCC[NH+]1CCCC1)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030561660	0	58	0.0	-66.07	431.44	5.58	-60.49
O=C(CC[NH+]1CCCCC1)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030561663	0	58	0.0	-64.78	426.35	5.54	-59.24
CC[N@@H+]1CCCCC1C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030561666	0	58	0.0	-57.29	422.10	5.35	-51.94
CC[N@H+]1CCCCC1C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030561666	1	58	0.0	-62.47	422.14	5.35	-57.12
C[NH+](C)C1(C(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CCC1	REAL300030561677	0	55	0.0	-60.60	395.77	4.73	-55.87
CC(C)[C@@H](C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030561684	0	57	0.0	-64.76	406.59	4.65	-60.11
C[N@H+](CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300030561709	0	55	0.0	-61.46	408.45	5.09	-56.37
C[N@@H+](CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300030561709	1	55	0.0	-62.57	408.59	5.10	-57.47
C#CC[N@H+]1CCC[C@H]1C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030561785	1	54	0.0	-58.77	409.04	4.89	-53.88
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030561785	1	54	0.0	-62.73	413.75	5.41	-57.32
C[N@@H+]1CCCC1CCC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030561790	0	58	0.0	-67.78	429.81	5.62	-62.16
C[N@H+]1CCCC1CCC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030561790	1	58	0.0	-62.85	429.78	5.63	-57.22
C[NH+]1CCC(C(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030561810	0	55	0.0	-64.85	406.93	4.78	-60.07
C[N@@H+]1CCCCC1C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030561849	0	55	0.0	-64.29	395.08	4.53	-59.76
C[N@H+]1CCCCC1C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030561849	1	55	0.0	-58.44	404.23	4.71	-53.73
O=C(NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN2C=[NH+]C=C2C=C1	REAL300030561919	0	50	0.0	-66.86	392.52	6.61	-60.25
O=C(CC[NH+]1CCOCC1)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030561926	1	56	0.0	-67.98	417.62	3.11	-64.87
CC1=C[NH+]=CN1CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030561939	1	50	0.0	-65.96	392.12	5.45	-60.51
O=C(NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[NH+]1CCC2	REAL300030561960	0	56	0.0	-57.55	406.89	5.09	-52.46
C[N@@H+]1CCC(CC(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030561971	0	55	0.0	-66.04	409.05	4.67	-61.37
C[N@H+]1CCC(CC(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030561971	1	55	0.0	-68.84	408.77	4.69	-64.15
CN(C)C1=CC=[NH+]C=C1C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030561977	0	54	0.0	-67.19	413.09	3.92	-63.27
CCC(C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030561979	0	54	0.0	-64.67	393.01	4.05	-60.62
O=C(NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC2=C[NH+]=CN2C=C1	REAL300030562006	1	50	0.0	-69.02	392.79	6.63	-62.39
C[NH+](C)CCCCC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562038	0	57	0.0	-68.37	427.65	5.25	-63.12
CC(C)C(C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030562052	0	57	0.0	-59.48	406.51	4.66	-54.82
CCC[N@H+](C)CCC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562053	0	57	0.0	-65.72	423.89	5.06	-60.66
CCC[N@@H+](C)CCC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562053	1	57	0.0	-65.78	423.94	5.07	-60.71
CCC[N@H+](C)CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562057	0	54	0.0	-63.67	401.58	4.51	-59.16
CCC[N@@H+](C)CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562057	1	54	0.0	-63.75	401.52	4.52	-59.23
O=C(NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C12CC[N@H+](C1)CCC2	REAL300030562072	0	56	0.0	-67.49	404.08	4.35	-63.14
O=C(NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C12CC[N@@H+](C1)CCC2	REAL300030562072	1	56	0.0	-67.69	404.67	4.33	-63.36
C[N@@H+]1CCC[C@@H]1C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562098	0	52	0.0	-59.32	382.32	3.66	-55.66
C[N@H+]1CCC[C@@H]1C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562098	1	52	0.0	-62.35	387.38	4.17	-58.18
CC[NH+](CC)CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562133	0	54	0.0	-61.96	393.88	4.19	-57.77
CC1CC[NH+](CC(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030562194	0	58	0.0	-63.68	424.92	5.58	-58.10
C[NH+](C)CC1(C(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030562216	0	55	0.0	-53.99	413.01	4.80	-49.19
C[NH+]1CCC(C(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030562269	0	55	0.0	-64.85	406.93	4.78	-60.07
CC(C)[C@H](C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030562285	0	57	0.0	-59.37	411.56	5.25	-54.12
CCC(C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](CC)CC	REAL300030562313	0	60	0.0	-59.96	428.42	5.39	-54.57
CC[N@H+](C)CCC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562354	0	54	0.0	-65.20	402.39	4.31	-60.89
CC[N@@H+](C)CCC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562354	1	54	0.0	-65.25	402.45	4.32	-60.93
CC1CCC[N@@H+]1CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562384	0	55	0.0	-60.37	401.07	4.49	-55.88
CC1CCC[N@H+]1CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562384	1	55	0.0	-61.42	406.80	4.87	-56.55
CC1CC[N@H+](CC(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030562386	0	55	0.0	-62.43	408.61	4.76	-57.67
CC1CC[N@@H+](CC(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030562386	1	55	0.0	-62.76	408.41	4.84	-57.92
CC1(C)CC[N@H+](CC(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030562390	0	58	0.0	-62.57	427.35	5.40	-57.17
CC1(C)CC[N@@H+](CC(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030562390	1	58	0.0	-62.92	427.53	5.35	-57.57
C[N@H+](CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300030562391	0	60	0.0	-63.22	430.19	5.52	-57.70
C[N@@H+](CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300030562391	1	60	0.0	-62.81	432.07	5.66	-57.15
CC[C@@H](C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030562399	0	54	0.0	-63.84	393.00	4.11	-59.73
C[NH+](C)CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562503	0	48	0.0	-64.55	362.35	3.11	-61.44
O=C(C[NH+]1CCCCCC1)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562507	0	58	0.0	-62.35	413.32	5.15	-57.20
CN1C=C[N+](CC(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030562510	0	50	0.0	-63.80	393.52	6.62	-57.18
C[N@@H+]1CCCC(C(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030562515	0	55	0.0	-66.55	406.90	4.73	-61.82
C[N@H+]1CCCC(C(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030562515	1	55	0.0	-62.20	400.59	4.93	-57.27
O=C(NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@@H+]1C1CC1	REAL300030562520	0	56	0.0	-64.07	412.81	4.98	-59.09
O=C(NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@H+]1C1CC1	REAL300030562520	1	56	0.0	-59.89	414.89	5.48	-54.41
CC(C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300030562536	1	52	0.0	-62.59	390.50	4.19	-58.40
CCC(CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300030562540	0	60	0.0	-71.13	437.29	5.72	-65.41
C[NH+](C)CC(C)(C)C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562545	0	57	0.0	-66.45	409.83	4.81	-61.64
O=C(C[NH+]1CCC(O)CC1)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562560	1	56	0.0	-67.16	415.16	1.63	-65.53
C[N@H+](CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030562561	0	52	0.0	-61.42	391.76	4.52	-56.90
C[N@@H+](CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030562561	1	52	0.0	-62.10	391.76	4.51	-57.59
C[NH+]1CC(CC(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030562577	0	52	0.0	-64.45	393.80	3.93	-60.52
CC(C)(C)[N@@H+]1CCC1C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562588	0	58	0.0	-61.18	423.65	4.81	-56.37
CC(C)(C)[N@H+]1CCC1C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562588	1	58	0.0	-59.26	423.97	4.87	-54.39
C[C@@H](C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030562599	0	51	0.0	-64.49	380.25	3.52	-60.97
[NH2+]=C1SC=CN1CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562658	0	48	0.0	-58.73	389.42	3.29	-55.44
C[N@H+](CCO)CCC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562665	0	55	0.0	-64.68	412.80	1.10	-63.58
C[N@@H+](CCO)CCC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562665	1	55	0.0	-64.56	412.72	1.09	-63.47
C[C@@H](C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030562666	0	51	0.0	-64.49	380.25	3.52	-60.97
C[N@@H+]1CCCC[C@@H]1C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562670	0	55	0.0	-61.02	395.00	4.54	-56.48
C[N@H+]1CCCC[C@@H]1C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562670	1	55	0.0	-64.03	404.38	4.70	-59.33
C[N@@H+]1CCC(=CC(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030562739	0	53	0.0	-68.86	401.28	4.65	-64.21
C[N@H+]1CCC(=CC(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030562739	1	53	0.0	-69.91	401.31	4.65	-65.26
C[NH+](C)CCOCC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562762	0	55	0.0	-64.77	418.22	4.17	-60.60
C=CCC(C)(C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030562776	0	58	0.0	-66.48	413.69	5.90	-60.58
C[S+](C)CCC(O)C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562780	0	54	0.0	-57.14	427.15	2.78	-54.36
C[N@@H+]1CC(O)CC1(C)C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562799	0	56	0.0	-67.54	408.79	1.34	-66.20
CC1CN(CC(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030562818	0	52	0.0	-64.47	392.45	4.27	-60.20
CC1C[NH+](CC(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030562818	1	52	0.0	-64.47	392.45	4.27	-60.20
CN(CCO)CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562836	0	52	0.0	-63.49	390.37	0.54	-62.95
C[N@H+](CCO)CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562836	1	52	0.0	-63.10	390.19	0.56	-62.54
C[N@@H+](CCO)CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562836	1	52	0.0	-63.10	390.19	0.56	-62.54
CC[N@@H+]1CCCC(C(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030562856	0	58	0.0	-61.51	418.29	5.60	-55.91
CC[N@H+]1CCCC(C(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030562856	1	58	0.0	-63.18	424.56	5.39	-57.79
CC(CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300030562858	0	57	0.0	-68.06	419.48	5.11	-62.95
CC[N@H+](C)CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562863	0	51	0.0	-63.43	380.08	3.77	-59.66
CC[N@@H+](C)CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562863	1	51	0.0	-63.55	380.08	3.76	-59.79
CC[N@H+](CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030562896	0	55	0.0	-60.85	410.89	5.14	-55.71
CC[N@@H+](CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030562896	1	55	0.0	-60.76	407.15	4.87	-55.89
CC[NH+](CC)CCC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562906	0	57	0.0	-64.30	420.24	5.02	-59.28
C[NH+]1CCC(=CC(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030562916	0	56	0.0	-66.80	415.91	5.38	-61.42
CC1(O)CC[N@H+](CC(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030562942	0	56	0.0	-64.13	418.35	1.52	-62.61
CC1(O)CC[N@@H+](CC(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030562942	1	56	0.0	-64.20	418.25	1.52	-62.68
C[NH+](C)CC=CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562946	0	52	0.0	-67.53	399.52	4.36	-63.17
CC(OCC[NH+](C)C)C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562955	0	58	0.0	-67.21	437.15	4.90	-62.31
C[NH+](C)CCOCCC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562961	0	58	0.0	-64.77	439.11	3.91	-60.86
COCC[N@H+](C)CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562962	1	55	0.0	-62.70	412.47	2.94	-59.76
COCC[N@@H+](C)CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562962	1	55	0.0	-63.37	412.63	2.94	-60.43
C[NH+](C)C1(C(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300030562982	0	58	0.0	-65.75	413.48	5.32	-60.43
CC(CCC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030562984	0	57	0.0	-64.57	415.93	4.83	-59.74
CC[N@@H+]1CCC1C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562990	1	52	0.0	-61.26	387.14	3.84	-57.42
CC[N@H+]1CCC1C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562990	1	52	0.0	-59.85	384.68	3.90	-55.95
O=C(C[N@H+]1CCCC1CO)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030563003	0	56	0.0	-62.39	408.17	1.64	-60.75
O=C(C[N@@H+]1CCCC1CO)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030563003	1	56	0.0	-62.92	412.15	1.19	-61.73
C[NH+]1CCC(C)(C(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030563025	0	58	0.0	-57.06	419.57	5.19	-51.87
C=CCC(C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030563044	0	55	0.0	-64.52	408.91	4.78	-59.74
C[N@@H+]1CC(C)(C)CC1C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030563051	0	58	0.0	-65.61	422.16	4.82	-60.79
C[N@H+]1CC(C)(C)CC1C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030563051	1	58	0.0	-59.99	428.08	5.16	-54.83
C[NH+](C)CCCCCC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030563053	0	60	0.0	-68.95	449.15	6.03	-62.92
O=C(C[NH+]1CC2CC2C1)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030563058	0	53	0.0	-63.21	397.79	5.02	-58.19
CCCC(C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030563074	0	57	0.0	-66.13	416.40	5.01	-61.12
C[NH+](C)C(C)(C)C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030563077	0	54	0.0	-66.34	389.75	4.27	-62.07
C[N@@H+]1CCCCC1C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030563103	0	55	0.0	-64.29	395.08	4.53	-59.76
C[N@H+]1CCCCC1C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030563103	1	55	0.0	-58.44	404.23	4.71	-53.73
C[N@H+]1CC=C(CC(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030563127	0	56	0.0	-66.90	421.50	5.49	-61.41
C[N@@H+]1CC=C(CC(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030563127	1	56	0.0	-65.98	421.31	5.47	-60.51
O=C(C=CC[NH+]1CCCC1)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030563167	0	56	0.0	-68.52	423.64	5.46	-63.06
C[NH+](C)C1(C(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030563198	0	52	0.0	-65.36	386.41	4.01	-61.35
O=C(CC[NH+]1CCCC1)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030563200	0	55	0.0	-64.97	409.06	4.72	-60.25
O=C(NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1C[NH+]2CCN1CC2	REAL300030563224	0	55	0.0	-73.94	398.69	1.59	-72.35
C[N@@H+]1CC2CC1(C(=O)NCC13CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030563229	0	53	0.0	-59.02	392.90	4.35	-54.67
C[N@H+]1CC2CC1(C(=O)NCC13CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030563229	1	53	0.0	-64.30	392.49	4.50	-59.80
O=C(C[N@@H+]1CC2CCC1C2)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030563236	0	56	0.0	-62.06	408.76	5.19	-56.87
O=C(C[N@H+]1CC2CCC1C2)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030563236	1	56	0.0	-60.58	406.98	5.03	-55.55
O=C(C[N@@H+]1CC2C=CC1C2)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030563276	1	54	0.0	-59.98	401.44	4.99	-54.99
O=C(C[N@H+]1CC2C=CC1C2)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030563276	1	54	0.0	-61.57	401.71	5.09	-56.48
CC(C[NH+](C)C)C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030563308	0	54	0.0	-65.01	400.70	4.39	-60.62
C[N@@H+]1CCCCC1CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030563358	0	58	0.0	-66.46	421.55	5.29	-61.17
C[N@H+]1CCCCC1CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030563358	1	58	0.0	-64.99	421.61	5.34	-59.65
CC(C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CC(C)C1	REAL300030563368	1	55	0.0	-62.08	411.11	4.78	-57.30
CC1CC[N@@H+]1CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030563370	1	52	0.0	-62.15	388.08	3.96	-58.19
CC1CC[N@H+]1CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030563370	1	52	0.0	-61.65	393.73	4.19	-57.46
C[NH+](C)CC(O)CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030563373	0	55	0.0	-69.79	414.96	2.15	-67.64
CC1C[N@H+](C)CC(C(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030563393	1	56	0.0	-66.70	413.71	3.88	-62.82
CC1C[N@@H+](C)CC(C(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030563393	1	56	0.0	-66.07	420.91	4.29	-61.78
C[NH+](C)[C@H]1C[C@H](C(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030563440	0	55	0.0	-69.32	411.92	4.85	-64.47
CC(CC[NH+](C)C)C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030563446	0	57	0.0	-66.68	422.33	5.01	-61.67
C[NH+]1CCN(CC(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030563465	1	57	0.0	-68.68	421.33	2.62	-66.06
NC(=[NH2+])SCC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030563489	0	46	0.0	-65.17	370.27	0.06	-65.11
C[NH+](C)CCC1(C(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030563518	0	58	0.0	-52.69	438.05	5.65	-47.04
C[N@@H+]1CC=CCC1CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030563519	0	56	0.0	-62.29	408.53	5.10	-57.19
C[N@H+]1CC=CCC1CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030563519	1	56	0.0	-62.29	408.49	5.10	-57.19
C[C@@H](OCC[NH+](C)C)C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030563532	0	58	0.0	-62.47	438.03	4.86	-57.61
CCC1CN(CC(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030563618	0	55	0.0	-64.58	415.03	4.97	-59.61
CCC1C[NH+](CC(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030563618	1	55	0.0	-64.58	415.03	4.97	-59.61
C[N@@H+]1CCC[C@H]1C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030563623	0	52	0.0	-66.06	382.39	3.67	-62.39
O=C(CC[N@H+]1CCC(F)C1)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030563629	0	55	0.0	-69.16	416.37	4.90	-64.26
CC1C(C(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030563648	0	55	0.0	-68.31	400.01	4.34	-63.97
CC1C(C(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030563648	1	55	0.0	-68.31	400.01	4.34	-63.97
CN1CCOCC1CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030563677	0	56	0.0	-69.61	412.99	2.97	-66.64
C[N@@H+]1CCOCC1CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030563677	1	56	0.0	-65.30	405.43	2.79	-62.51
C[N@H+]1CCOCC1CC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030563677	1	56	0.0	-65.30	405.43	2.79	-62.51
C[N@@H+]1CCCC1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030563848	0	52	0.0	-68.10	384.18	3.77	-64.33
C[N@H+]1CCCC1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030563848	1	52	0.0	-68.21	383.96	3.76	-64.45
O=C(CC[NH+]1CCOCC1)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030564027	1	56	0.0	-65.81	421.08	3.29	-62.52
O=C(NCC12CCC(CC1)N(C(=O)C13CCC[NH+]1CCC3)C2)C1=CC(=O)[N-]O1	REAL300030564039	0	56	0.0	-64.25	401.03	4.61	-59.64
O=C(NCC12CCC(CC1)N(C(=O)C1=CC3=C[NH+]=CN3C=C1)C2)C1=CC(=O)[N-]O1	REAL300030564045	1	50	0.0	-61.41	399.57	6.61	-54.80
C[N@@H+]1CCC(CC(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CCC2CC3)C1	REAL300030564076	0	55	0.0	-72.21	412.15	4.91	-67.30
C[N@H+]1CCC(CC(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CCC2CC3)C1	REAL300030564076	1	55	0.0	-72.20	412.18	4.91	-67.29
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030564082	0	54	0.0	-66.65	416.40	3.08	-63.57
CCC(C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CCC1CC2)[NH+](C)C	REAL300030564084	0	54	0.0	-68.10	395.01	4.28	-63.82
C[NH+](C)CCCCC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030564122	0	57	0.0	-65.11	431.18	5.42	-59.69
CC(C)C(C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CCC1CC2)[NH+](C)C	REAL300030564138	0	57	0.0	-66.45	405.03	4.63	-61.82
CCC[N@H+](C)CCC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030564139	0	57	0.0	-63.37	427.43	5.29	-58.08
CCC[N@@H+](C)CCC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030564139	1	57	0.0	-63.42	427.34	5.24	-58.18
CCC[N@H+](C)CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030564143	0	54	0.0	-61.94	405.06	4.72	-57.22
CCC[N@@H+](C)CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030564143	1	54	0.0	-61.84	405.07	4.72	-57.12
O=C(NCC12CCC(CC1)N(C(=O)C13CC[N@H+](C1)CCC3)C2)C1=CC(=O)[N-]O1	REAL300030564158	0	56	0.0	-74.70	395.77	4.06	-70.64
O=C(NCC12CCC(CC1)N(C(=O)C13CC[N@@H+](C1)CCC3)C2)C1=CC(=O)[N-]O1	REAL300030564158	1	56	0.0	-74.33	398.21	4.05	-70.28
CC1CC[NH+](CC(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CCC2CC3)CC1	REAL300030564191	0	58	0.0	-69.70	428.44	5.80	-63.90
C[NH+](C)CC1(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CCC2CC3)CC1	REAL300030564232	0	55	0.0	-69.91	411.84	4.79	-65.12
CC[N@H+](C)CCC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030564251	0	54	0.0	-63.13	405.85	4.50	-58.63
CC[N@@H+](C)CCC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030564251	1	54	0.0	-63.04	405.91	4.51	-58.53
O=C(NCC12CCC(CC1)N(C(=O)C1C[NH+]3CCC1CC3)C2)C1=CC(=O)[N-]O1	REAL300030564269	0	56	0.0	-74.93	402.12	4.80	-70.13
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CC(C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CCC1CC2)N1CCC1	REAL300030566686	0	52	0.0	-70.18	393.03	4.10	-66.08
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C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030566734	0	55	0.0	-65.89	404.06	4.73	-61.16
C[NH+](C)CC(O)CC(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030566758	0	55	0.0	-66.76	418.41	2.31	-64.45
C=CCC(C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CCC1CC2)[NH+](C)C	REAL300030566780	0	55	0.0	-65.67	405.80	4.63	-61.04
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C[NH+](C)CCSCC(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030566856	0	55	0.0	-71.02	429.25	5.05	-65.97
C[NH+](C)CC(=O)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030566963	0	55	0.0	-68.67	395.67	2.16	-66.51
C[C@@H](C(=O)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030566969	0	58	0.0	-71.34	412.39	2.79	-68.55
C[C@@H](C(=O)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030566982	0	58	0.0	-71.34	412.39	2.79	-68.55
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C[C@H](C(=O)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030566995	0	58	0.0	-65.77	412.30	2.58	-63.19
CC[N@H+](C)CC(=O)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030567007	0	58	0.0	-73.03	415.95	3.14	-69.89
CC[N@@H+](C)CC(=O)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030567007	1	58	0.0	-72.89	415.69	3.04	-69.85
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CC[N@H+](C)CC(=O)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030567194	0	58	0.0	-76.21	415.94	3.15	-73.06
CC[N@@H+](C)CC(=O)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030567194	1	58	0.0	-76.30	415.97	3.15	-73.15
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COC1(CNC(=O)C2CCC[N@@H+]2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030567449	0	46	0.0	-70.54	363.57	0.05	-70.49
COC1(CNC(=O)C2CCC[N@H+]2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030567449	1	46	0.0	-71.08	368.98	0.28	-70.80
COC1(CNC(=O)C2C[N@H+](C)CCO2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030567473	1	47	0.0	-82.53	380.96	-0.28	-82.81
COC1(CNC(=O)C2C[N@@H+](C)CCO2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030567473	1	47	0.0	-75.33	382.15	-0.08	-75.41
COC1(CNC(=O)CCN2C=C[NH+]=C2C(C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030567654	1	53	0.0	-61.91	430.09	2.54	-59.37
COC1(CNC(=O)C(C)[NH+]2CCCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030567661	0	55	0.0	-62.16	413.55	1.84	-60.32
COC1(CNC(=O)C2CCCC[N@@H+]2C(C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030567663	0	55	0.0	-64.65	411.78	2.00	-62.65
COC1(CNC(=O)C2CCCC[N@H+]2C(C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030567663	1	55	0.0	-68.22	417.00	1.78	-66.44
COC1(CNC(=O)C2CCC[N@@H+]2C(C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030567693	0	52	0.0	-70.02	402.31	1.33	-68.69
COC1(CNC(=O)C2CCC[N@H+]2C(C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030567693	1	52	0.0	-70.91	395.93	1.53	-69.38
COC1(CNC(=O)C2CC3CCCC[N@@H+]3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030567717	0	53	0.0	-73.94	410.70	2.01	-71.93
COC1(CNC(=O)C2CC3CCCC[N@H+]3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030567717	1	53	0.0	-75.17	409.28	1.94	-73.23
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CC[C@@H]1[C@@H](C(=O)NCC2(OC)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030567947	0	52	0.0	-74.74	401.06	0.97	-73.77
CC[C@@H]1[C@@H](C(=O)NCC2(OC)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030567947	1	52	0.0	-69.25	406.68	1.45	-67.80
CC[N@@H+]1CCOC(C(=O)NCC2(OC)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030567971	1	50	0.0	-75.12	391.61	0.20	-74.92
CC[N@H+]1CCOC(C(=O)NCC2(OC)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030567971	1	50	0.0	-76.55	389.86	0.19	-76.36
CC[NH+](CC)CC(F)C(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568028	0	51	0.0	-73.37	402.49	1.14	-72.23
COC1(CNC(=O)C2=C(C[NH+](C)C)C=CS2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568029	0	49	0.0	-61.28	410.12	2.05	-59.23
COC1(CNC(=O)C[NH+]2C(C)CCC2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568127	0	52	0.0	-62.42	402.42	1.48	-60.94
COC1(CNC(=O)CCC[NH+]2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568134	0	52	0.0	-69.04	414.61	2.00	-67.04
COC1(CNC(=O)C2=CC=CC(C[NH+](C)C)=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568135	0	52	0.0	-76.57	421.74	2.76	-73.81
C#CC[NH+]1CCC(C(=O)NCC2(OC)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030568142	0	51	0.0	-73.66	414.01	2.28	-71.38
COC1(CNC(=O)CC[NH+]2CCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568143	0	52	0.0	-67.98	408.78	1.90	-66.08
COC1(CNC(=O)C2=CC=CC=C2C[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568147	0	52	0.0	-66.89	414.42	2.98	-63.91
CC[N@@H+]1CCCCC1C(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568156	0	52	0.0	-67.67	402.91	1.57	-66.10
CC[N@H+]1CCCCC1C(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568156	1	52	0.0	-68.07	393.81	1.34	-66.73
COC1(CNC(=O)C(C(C)C)[NH+]2CCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568157	0	58	0.0	-68.18	437.25	3.40	-64.78
COC1(CNC(=O)C(C2=CC=CC=C2)[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568160	1	52	0.0	-61.30	419.42	2.96	-58.34
COC1(CNC(=O)C2CC[N@H+](CC(C)C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568183	0	55	0.0	-66.59	429.27	2.28	-64.31
COC1(CNC(=O)C2CC[N@@H+](CC(C)C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568183	1	55	0.0	-70.83	428.70	2.47	-68.36
COC1(CNC(=O)C2([NH+](C)C)CCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568187	0	49	0.0	-75.58	377.72	1.52	-74.06
COC1(CNC(=O)C(CN2C=CC=N2)[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568189	1	52	0.0	-66.53	421.60	1.37	-65.16
COC1(CNC(=O)CC2CCC[N@@H+]2C(C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568194	0	55	0.0	-68.98	422.46	1.87	-67.11
COC1(CNC(=O)CC2CCC[N@H+]2C(C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568194	1	55	0.0	-67.62	412.18	1.80	-65.82
COC1(CNC(=O)C2CCC[N@@H+]2C2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568195	0	56	0.0	-69.73	418.27	2.83	-66.90
COC1(CNC(=O)C2CCC[N@H+]2C2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568195	1	56	0.0	-68.10	428.68	2.73	-65.37
COC1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568216	0	51	0.0	-67.96	394.54	1.52	-66.44
COC1(CNC(=O)C[N@H+](C)C2CCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568277	0	49	0.0	-63.83	390.73	1.35	-62.48
COC1(CNC(=O)C[N@@H+](C)C2CCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568277	1	49	0.0	-62.85	390.60	1.36	-61.49
COC1(CNC(=O)C(C)[NH+]2C(C)CCC2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568357	0	55	0.0	-60.60	415.65	1.75	-58.85
COC1(CNC(=O)CCN(C)C2=CC=[NH+]C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568425	0	51	0.0	-63.44	419.25	1.12	-62.32
COC1(CNC(=O)CCC2CCC[N@@H+]2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568446	0	52	0.0	-73.47	405.41	1.29	-72.18
COC1(CNC(=O)CCC2CCC[N@H+]2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568446	1	52	0.0	-75.51	407.11	1.61	-73.90
COC1(CNC(=O)C23CCC[NH+](CCC2)C3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568458	0	53	0.0	-72.18	400.59	1.55	-70.63
COC1(CNC(=O)C2CCC3CCCC[N@@H+]32)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568466	0	53	0.0	-65.87	411.34	2.21	-63.66
COC1(CNC(=O)C2CCC3CCCC[N@H+]32)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568466	1	53	0.0	-69.46	411.21	2.16	-67.30
COC1(CNC(=O)C(C)(C)C[NH+]2CCOCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568474	0	56	0.0	-62.07	425.31	0.49	-61.58
COC1(CNC(=O)CCCC[NH+]2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568494	0	55	0.0	-70.14	436.10	2.79	-67.35
COC1(CNC(=O)C[N@H+](C)CC2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568496	1	52	0.0	-69.49	421.20	2.97	-66.52
COC1(CNC(=O)C[N@@H+](C)CC2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568496	1	52	0.0	-78.53	419.85	2.84	-75.69
COC1(CNC(=O)C2CC[NH+](C)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568511	0	49	0.0	-77.16	387.76	0.92	-76.24
COC1(CNC(=O)C2=NOC(C[NH+](C)C)=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568568	1	48	0.0	-75.42	402.77	0.37	-75.05
COC1(CNC(=O)C2=C(C)N3C=[NH+]C=C3C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568570	0	47	0.0	-75.11	395.85	2.95	-72.16
COC1(CNC(=O)C2CCCC[N@@H+]2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568609	0	49	0.0	-69.50	376.01	0.71	-68.79
COC1(CNC(=O)C2CCCC[N@H+]2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568609	1	49	0.0	-72.14	375.35	0.72	-71.42
COC1(CNC(=O)C2CCC[N@@H+]2CC(C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568639	0	55	0.0	-64.29	429.43	2.66	-61.63
COC1(CNC(=O)C2CCC[N@H+]2CC(C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568639	1	55	0.0	-69.05	421.87	2.02	-67.03
COC1(CNC(=O)C2=CN3C=[NH+]C=C3C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568785	0	44	0.0	-74.40	373.70	2.75	-71.65
COC1(CNC(=O)CCCN2C=C[NH+]=C2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568797	1	50	0.0	-67.15	415.75	2.38	-64.77
COC1(CNC(=O)CCCC[NH+]2CCOCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568801	1	56	0.0	-77.79	441.46	0.83	-76.96
COC1(CNC(=O)C2=CC=C(C[NH+](C)C)C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568807	0	52	0.0	-80.49	421.39	2.74	-77.75
COC1(CNC(=O)CC[NH+]2CCOCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568808	1	50	0.0	-70.96	400.04	-0.52	-71.48
CCC[NH+](CCC)CCCC(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568831	0	60	0.0	-69.31	467.30	3.66	-65.65
COC1(CNC(=O)CN2C=[NH+]C=C2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568851	1	44	0.0	-73.43	371.91	1.54	-71.89
COC1(CNC(=O)CN2C=[NH+]C3=C2CCCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568860	1	51	0.0	-66.50	416.08	3.45	-63.05
COC1(CNC(=O)C2(C[NH+](C)C)CCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568902	0	58	0.0	-77.55	428.35	2.98	-74.57
COC1(CNC(=O)CC[N@H+](C)C2CCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568908	0	58	0.0	-67.93	443.07	2.98	-64.95
COC1(CNC(=O)CC[N@@H+](C)C2CCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568908	1	58	0.0	-69.18	443.18	3.06	-66.12
COC1(CNC(=O)C23CCC[NH+]2CCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568911	0	50	0.0	-68.49	387.97	1.32	-67.17
COC1(CNC(=O)C2CCCC([NH+](C)C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568950	0	55	0.0	-69.87	414.10	1.90	-67.97
COC1(CNC(=O)CC2CC[N@H+](C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568954	0	49	0.0	-73.96	389.65	0.94	-73.02
COC1(CNC(=O)CC2CC[N@@H+](C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568954	1	49	0.0	-73.36	390.19	0.94	-72.42
COC1(CNC(=O)C2=C[NH+]=CC=C2N(C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568967	0	48	0.0	-78.57	394.42	0.08	-78.49
CCC(C(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030568973	0	48	0.0	-71.76	373.72	0.35	-71.41
COC1(CNC(=O)CC2([NH+](C)C)CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568993	0	55	0.0	-69.13	408.33	1.80	-67.33
COC1(CNC(=O)C2=CC3=C[NH+]=CN3C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569054	1	44	0.0	-72.93	375.13	2.91	-70.02
COC1(CNC(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569095	1	47	0.0	-79.20	404.39	0.84	-78.36
COC1(CNC(=O)CCCC[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569126	0	51	0.0	-71.66	410.14	1.60	-70.06
COC1(CNC(=O)C(C(C)C)[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569147	0	51	0.0	-70.33	393.78	1.54	-68.79
CCC[N@H+](C)CCC(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569149	0	51	0.0	-68.39	406.26	1.34	-67.05
CCC[N@@H+](C)CCC(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569149	1	51	0.0	-69.57	406.37	1.42	-68.15
CCC[N@H+](C)CC(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569155	0	48	0.0	-65.30	383.72	0.80	-64.50
CCC[N@@H+](C)CC(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569155	1	48	0.0	-65.49	383.73	0.78	-64.71
COC1(CNC(=O)C23CC[N@H+](C2)CCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569184	0	50	0.0	-74.82	384.04	0.68	-74.14
COC1(CNC(=O)C23CC[N@@H+](C2)CCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569184	1	50	0.0	-71.70	386.43	0.65	-71.05
COC1(CNC(=O)[C@H]2CCC[N@@H+]2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569242	0	46	0.0	-70.96	368.53	0.34	-70.62
COC1(CNC(=O)[C@H]2CCC[N@H+]2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569242	1	46	0.0	-60.73	363.67	-0.02	-60.75
COC1(CNC(=O)C2CCC3CC(C)C[N@@H+]3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569267	0	56	0.0	-71.54	431.68	2.58	-68.96
COC1(CNC(=O)C2CCC3CC(C)C[N@H+]3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569267	1	56	0.0	-71.53	431.38	2.62	-68.91
CCCCCC[N@H+](C)CC(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569312	0	57	0.0	-75.50	446.92	3.00	-72.50
CCCCCC[N@@H+](C)CC(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569312	1	57	0.0	-66.64	448.22	3.12	-63.52
CC[NH+](CC)C(C(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300030569320	0	57	0.0	-61.05	415.37	1.73	-59.32
CC[NH+](CC)CC(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569329	0	48	0.0	-65.43	380.35	0.83	-64.60
CCC[N@@H+]1CCCC(C(=O)NCC2(OC)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030569362	0	55	0.0	-62.58	420.86	2.75	-59.83
CCC[N@H+]1CCCC(C(=O)NCC2(OC)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030569362	1	55	0.0	-73.19	426.92	2.28	-70.91
COC1(CNC(=O)C2C[N@@H+](C(C)C)CCO2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569384	0	53	0.0	-66.74	408.23	0.98	-65.76
COC1(CNC(=O)C2C[N@H+](C(C)C)CCO2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569384	1	53	0.0	-75.42	414.83	0.95	-74.47
COC1(CNC(=O)C[NH+]2CCC(C)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569422	0	52	0.0	-66.07	407.56	1.90	-64.17
COC1(CNC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569450	1	47	0.0	-76.00	403.80	0.82	-75.18
COC1(CNC(=O)COC2CC[NH+](C)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569459	0	53	0.0	-74.00	424.45	1.46	-72.54
COC1(CNC(=O)C2(C[NH+](C)C)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569475	0	49	0.0	-67.09	395.42	1.26	-65.83
COC1(CNC(=O)C2CCC3=C[NH+]=C(C)N3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569476	1	51	0.0	-68.58	410.58	2.07	-66.51
COC1(CNC(=O)C2CC[NH+](C(C)C)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569572	0	55	0.0	-74.68	418.45	1.88	-72.80
COC1(CNC(=O)C2CC[NH+](C)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569600	0	49	0.0	-77.16	387.76	0.92	-76.24
COC1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569621	0	51	0.0	-70.41	396.11	1.49	-68.92
CCC(C(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030569656	0	54	0.0	-68.53	408.78	1.63	-66.90
CC[N@H+](C)CCC(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569739	0	48	0.0	-67.79	384.60	0.57	-67.22
CC[N@@H+](C)CCC(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569739	1	48	0.0	-75.17	383.29	0.46	-74.71
COC1(CNC(=O)C[N@@H+]2CCCC2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569808	0	49	0.0	-65.60	382.10	0.91	-64.69
COC1(CNC(=O)C[N@H+]2CCCC2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569808	1	49	0.0	-68.19	381.87	0.72	-67.47
COC1(CNC(=O)C[N@@H+]2CCC(C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569810	0	49	0.0	-74.21	388.69	0.92	-73.29
COC1(CNC(=O)C[N@H+]2CCC(C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569810	1	49	0.0	-70.65	388.80	0.94	-69.71
COC1(CNC(=O)C2(F)CC[N@@H+](C(C)(C)C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569811	0	55	0.0	-59.14	426.39	1.69	-57.45
COC1(CNC(=O)C2(F)CC[N@H+](C(C)(C)C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569811	1	55	0.0	-68.62	425.28	1.59	-67.03
COC1(CNC(=O)C2CCN3C(=C[NH+]=C3C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569813	1	51	0.0	-71.03	412.17	2.08	-68.95
COC1(CNC(=O)C[N@@H+]2CCC(C)(C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569816	0	52	0.0	-70.65	408.34	1.50	-69.15
COC1(CNC(=O)C[N@H+]2CCC(C)(C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569816	1	52	0.0	-68.35	408.41	1.79	-66.56
COC1(CNC(=O)C[N@H+](C)CC(C)(C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569817	0	54	0.0	-65.71	415.62	2.04	-63.67
COC1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569817	1	54	0.0	-73.90	412.32	1.75	-72.15
CC[C@@H](C(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030569828	0	48	0.0	-64.95	375.07	0.42	-64.53
COC1(CNC(=O)COCC(C)[NH+]2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569836	0	56	0.0	-68.19	443.35	2.23	-65.96
COC1(CNC(=O)C2CC[NH+](CC3CC3)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569921	0	56	0.0	-77.21	436.96	3.13	-74.08
COC1(CNC(=O)CC2(O)CC[NH+](C)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570062	0	53	0.0	-67.99	415.11	-0.28	-68.27
COCC[N@@H+]1CCCC1CC(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570069	0	56	0.0	-71.80	432.93	0.80	-71.00
COCC[N@H+]1CCCC1CC(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570069	1	56	0.0	-69.86	442.07	0.72	-69.14
COC1(CNC(=O)C[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570077	0	42	0.0	-66.83	344.77	-0.53	-67.36
COC1(CNC(=O)C[NH+]2CCC(CO)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570082	1	53	0.0	-67.33	418.39	-1.41	-68.74
COC1(CNC(=O)C[NH+]2CCCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570086	0	52	0.0	-63.94	395.58	1.43	-62.51
COC1(CNC(=O)C[N+]2=CN(C)C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570091	0	44	0.0	-65.58	376.01	2.98	-62.60
COC1(CNC(=O)C2CCC[N@H+](C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570102	0	49	0.0	-69.62	381.68	1.04	-68.58
COC1(CNC(=O)C2CCC[N@@H+](C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570102	1	49	0.0	-74.86	387.92	0.84	-74.02
COC1(CNC(=O)C2CCC[N@@H+]2C2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570107	0	50	0.0	-61.70	402.16	1.98	-59.72
COC1(CNC(=O)C2CCC[N@H+]2C2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570107	1	50	0.0	-61.93	397.24	1.83	-60.10
COC1(CNC(=O)C(C)[NH+]2CCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570142	1	46	0.0	-72.09	373.19	0.20	-71.89
CCC(CC(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030570151	0	54	0.0	-70.42	415.91	2.02	-68.40
COC1(CNC(=O)C(C)(C)C[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570159	0	51	0.0	-58.45	392.85	1.25	-57.20
COC1(CNC(=O)C23CC(C2)C[N@@H+]3C2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570179	0	51	0.0	-71.57	395.31	2.42	-69.15
COC1(CNC(=O)C23CC(C2)C[N@H+]3C2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570179	1	51	0.0	-67.13	400.98	2.68	-64.45
COC1(CNC(=O)C[NH+]2CCC(O)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570199	1	50	0.0	-78.11	396.75	-2.22	-80.33
COC1(CNC(=O)C[N@H+](C)C2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570200	0	46	0.0	-71.48	372.47	0.64	-70.84
COC1(CNC(=O)C[N@@H+](C)C2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570200	1	46	0.0	-71.46	372.46	0.65	-70.81
COC1(CNC(=O)C(C)N2CC[NH+](C)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570201	1	54	0.0	-69.07	415.64	-0.79	-69.86
COC1(CNC(=O)CC2C[NH+](C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570226	0	46	0.0	-67.37	376.22	0.29	-67.08
COC1(CNC(=O)C2CC[N@@H+]2C2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570230	0	53	0.0	-66.34	417.14	2.36	-63.98
COC1(CNC(=O)C2CC[N@H+]2C2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570230	1	53	0.0	-67.92	415.39	2.25	-65.67
COC1(CNC(=O)C2CC[N@@H+]2C(C)(C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570238	0	52	0.0	-67.46	404.97	1.08	-66.38
COC1(CNC(=O)C2CC[N@H+]2C(C)(C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570238	1	52	0.0	-64.42	389.57	0.69	-63.73
COC1(CNC(=O)[C@H](C)[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570251	0	45	0.0	-65.49	362.65	-0.19	-65.68
CCC1CCC[N@H+](CC(=O)NCC2(OC)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030570300	0	55	0.0	-70.88	416.97	1.93	-68.95
CCC1CCC[N@@H+](CC(=O)NCC2(OC)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030570300	1	55	0.0	-71.34	424.18	2.48	-68.86
COC1(CNC(=O)C2=CC=C(C[NH+](C)C)N2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570309	0	50	0.0	-81.04	410.38	0.43	-80.61
COC1(CNC(=O)CC2CC3CCC(C2)[NH+]3C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570323	0	56	0.0	-64.34	410.19	1.82	-62.52
COC1(CNC(=O)CN2C=CSC2=[NH2+])CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570367	0	42	0.0	-60.14	371.57	-0.45	-60.59
COC1(CNC(=O)CC[N@H+](C)CCO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570380	0	49	0.0	-69.45	395.22	-2.53	-71.98
COC1(CNC(=O)CC[N@@H+](C)CCO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570380	1	49	0.0	-67.43	394.62	-2.63	-70.06
COC1(CNC(=O)[C@H](C)[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570381	0	45	0.0	-65.49	362.65	-0.19	-65.68
COC1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570385	0	49	0.0	-65.80	386.75	1.10	-64.70
COC1(CNC(=O)[C@H]2CCCC[N@H+]2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570385	1	49	0.0	-71.61	375.94	0.69	-70.92
COC1(CNC(=O)C2C[N@@H+]3CCN2CC3C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570395	0	52	0.0	-74.59	394.52	-1.86	-76.45
COC1(CNC(=O)C2C[N@H+]3CCN2CC3C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570395	1	52	0.0	-74.70	395.74	-1.64	-76.34
COC1C[N@@H+]2CCCC2(C(=O)NCC2(OC)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030570439	0	54	0.0	-73.96	420.94	0.57	-73.39
COC1C[N@H+]2CCCC2(C(=O)NCC2(OC)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030570439	1	54	0.0	-74.28	421.98	0.25	-74.03
COC1(CNC(=O)CC2=CC3=C[NH+]=CN3C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570454	0	47	0.0	-68.21	399.18	3.65	-64.56
COC1(CNC(=O)C[N@H+](C)C2CCSC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570482	0	50	0.0	-70.72	404.12	1.69	-69.03
COC1(CNC(=O)C[N@@H+](C)C2CCSC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570482	1	50	0.0	-69.72	403.84	1.61	-68.11
COC1(CNC(=O)C2=CC=NC(C[NH+](C)C)=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570520	1	51	0.0	-72.67	417.61	1.28	-71.39
COC1(CNC(=O)C=C2CC[N@H+](C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570522	0	47	0.0	-77.37	379.70	0.81	-76.56
COC1(CNC(=O)C=C2CC[N@@H+](C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570522	1	47	0.0	-74.78	382.06	0.89	-73.89
COC1(CNC(=O)C2C[NH+](C3CCCCC3)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570548	0	56	0.0	-71.56	437.06	2.87	-68.69
COC1(CNC(=O)COCC[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570564	0	49	0.0	-69.92	400.65	0.52	-69.40
CCCCC[N@H+](C)CCC(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570571	0	57	0.0	-69.26	449.26	2.90	-66.36
CCCCC[N@@H+](C)CCC(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570571	1	57	0.0	-70.44	449.37	2.99	-67.45
COC1(CNC(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570581	0	53	0.0	-74.51	422.40	1.19	-73.32
C=CCC(C)(C(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030570591	0	52	0.0	-66.10	396.20	1.33	-64.77
COC1(CNC(=O)C(O)CC[S+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570596	0	48	0.0	-68.41	409.62	-0.87	-69.28
COC1(CNC(=O)C2(C)CC(O)CN2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570629	0	50	0.0	-76.85	389.85	-2.28	-79.13
COC1(CNC(=O)C2(C)CC(O)C[N@@H+]2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570629	1	50	0.0	-72.51	391.77	-2.38	-74.89
COC1(CNC(=O)C2(C)CC(O)C[N@H+]2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570629	1	50	0.0	-72.51	391.77	-2.38	-74.89
COC1(CNC(=O)C2CN(C)CC[N@H+](C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570644	0	54	0.0	-70.77	413.26	-0.49	-71.26
COC1(CNC(=O)C2CN(C)CC[N@@H+](C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570644	1	54	0.0	-70.77	413.26	-0.49	-71.26
COC1(CNC(=O)C(C)N2CCCC(O)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570645	0	53	0.0	-69.14	414.49	-1.58	-70.72
COC1(CNC(=O)C(C)[N@@H+]2CCCC(O)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570645	1	53	0.0	-71.72	412.93	-1.60	-73.32
COC1(CNC(=O)C(C)[N@H+]2CCCC(O)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570645	1	53	0.0	-71.72	412.93	-1.60	-73.32
COC1(CNC(=O)CN2CCC(CO)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570660	0	53	0.0	-67.33	418.39	-1.41	-68.74
COC1(CNC(=O)C[NH+]2CCC(CO)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570660	1	53	0.0	-67.33	418.39	-1.41	-68.74
COC1(CNC(=O)CC2(O)CCC[N@H+](C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570670	0	53	0.0	-70.90	404.09	-0.52	-71.42
COC1(CNC(=O)CC2(O)CCC[N@@H+](C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570670	1	53	0.0	-70.90	404.09	-0.52	-71.42
COC1(CNC(=O)CN2CC(C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570674	0	46	0.0	-66.55	374.78	0.55	-66.00
COC1(CNC(=O)C[NH+]2CC(C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570674	1	46	0.0	-66.55	374.78	0.55	-66.00
COC1(CNC(=O)CN2CCC(C(N)=O)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570679	0	53	0.0	-78.91	422.62	-2.04	-80.95
COC1(CNC(=O)C[NH+]2CCC(C(N)=O)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570679	1	53	0.0	-78.91	422.62	-2.04	-80.95
COC1(CNC(=O)CN(C)CCO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570704	0	46	0.0	-66.97	372.58	-3.20	-70.17
COC1(CNC(=O)C[N@H+](C)CCO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570704	1	46	0.0	-74.76	371.89	-3.31	-78.07
COC1(CNC(=O)C[N@@H+](C)CCO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570704	1	46	0.0	-74.76	371.89	-3.31	-78.07
COC1(CNC(=O)C=C2CC3CCC(C2)[NH+]3C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570727	0	54	0.0	-67.10	416.39	2.15	-64.95
COC1(CNC(=O)C2C[N@@H+]3CCN2CCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570732	0	52	0.0	-82.89	391.15	-0.75	-83.64
COC1(CNC(=O)C2C[N@H+]3CCN2CCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570732	1	52	0.0	-82.89	391.15	-0.75	-83.64
CC[N@@H+]1CCCC(C(=O)NCC2(OC)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030570740	0	52	0.0	-72.80	404.06	1.51	-71.29
CC[N@H+]1CCCC(C(=O)NCC2(OC)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030570740	1	52	0.0	-72.80	404.06	1.51	-71.29
COC1(CNC(=O)CC(C)C[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570742	0	51	0.0	-69.75	401.96	1.47	-68.28
CC[N@H+](C)CC(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570758	0	45	0.0	-65.16	362.23	0.04	-65.12
COC1(CNC(=O)C23CCC[N@@H+]2CCCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570786	0	53	0.0	-69.21	398.35	1.78	-67.43
COC1(CNC(=O)C23CCC[N@H+]2CCCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570786	1	53	0.0	-69.21	398.35	1.78	-67.43
COC1(CNC(=O)C23CCC[N@@H+]2CC=CC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570795	0	51	0.0	-73.05	390.48	1.76	-71.29
CC[N@H+](CC(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030570820	0	49	0.0	-64.36	390.72	1.48	-62.88
CC[NH+](CC)CCC(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570845	0	51	0.0	-69.22	398.33	1.15	-68.07
COC1(CNC(=O)C=C2CC[NH+](C)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570862	0	50	0.0	-68.88	398.69	1.76	-67.12
COC1(CNC(=O)CCCC[NH+]2CCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570883	0	58	0.0	-70.10	451.77	3.48	-66.62
COC1(CNC(=O)C[N@@H+]2CCC(C)(O)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570916	1	50	0.0	-75.47	399.89	-2.35	-77.82
COC1(CNC(=O)C[N@H+]2CCC(C)(O)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570916	1	50	0.0	-70.50	400.52	-2.17	-72.67
COC1(CNC(=O)C=CC[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570928	0	46	0.0	-71.36	380.74	0.67	-70.69
COC1(CNC(=O)C(C)OCC[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570952	0	52	0.0	-69.20	420.44	1.20	-68.00
COC1(CNC(=O)CCOCC[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570963	0	52	0.0	-68.72	421.43	0.28	-68.44
COCC[N@H+](C)CC(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570964	1	49	0.0	-74.59	394.14	-0.90	-75.49
COCC[N@@H+](C)CC(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570964	1	49	0.0	-67.14	394.83	-0.80	-67.94
COCCCC[N@H+](C)CCC(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570992	0	58	0.0	-72.11	461.43	1.19	-70.92
COCCCC[N@@H+](C)CCC(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570992	1	58	0.0	-73.36	461.54	1.28	-72.08
COC1(CNC(=O)C2([NH+](C)C)CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571017	0	52	0.0	-75.17	395.80	2.00	-73.17
COC1(CNC(=O)CCC(C)[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571020	0	51	0.0	-68.73	401.89	1.20	-67.53
CC[N@@H+]1CCC1C(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571030	1	46	0.0	-69.32	368.28	-0.02	-69.34
CC[N@H+]1CCC1C(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571030	1	46	0.0	-73.64	374.99	0.25	-73.39
COC1(CNC(=O)C2CCC[N@@H+](C(C)C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571041	0	55	0.0	-67.54	416.18	2.25	-65.29
COC1(CNC(=O)C2CCC[N@H+](C(C)C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571041	1	55	0.0	-68.42	422.27	2.33	-66.09
COC1(CNC(=O)C[N@@H+]2CCCC2CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571055	0	50	0.0	-69.99	396.65	-2.13	-72.12
COC1(CNC(=O)C[N@H+]2CCCC2CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571055	1	50	0.0	-68.20	398.23	-1.94	-70.14
COC1(CNC(=O)C2CC3CCCC[N@@H+]3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571081	0	53	0.0	-73.94	410.70	2.01	-71.93
COC1(CNC(=O)C2CC3CCCC[N@H+]3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571081	1	53	0.0	-75.17	409.28	1.94	-73.23
COC1(CNC(=O)C2(C)CC[NH+](C)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571088	0	52	0.0	-73.12	399.05	1.33	-71.79
COC1(CNC(=O)C2=CC(C[NH+](C)C)=CN2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571094	0	50	0.0	-77.41	409.93	0.57	-76.84
COC1(CNC(=O)C(C)[NH+]2CCC(O)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571113	1	53	0.0	-75.02	414.81	-1.82	-76.84
C=CCC(C(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030571128	0	49	0.0	-68.30	391.75	1.16	-67.14
COC1(CNC(=O)C2CC(C)(C)C[N@@H+]2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571146	0	52	0.0	-65.37	409.08	1.75	-63.62
COC1(CNC(=O)C2CC(C)(C)C[N@H+]2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571146	1	52	0.0	-61.88	410.76	1.59	-60.29
COC1(CNC(=O)CCCCC[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571151	0	54	0.0	-71.60	431.63	2.38	-69.22
COC1(CNC(=O)C[NH+]2CC3CC3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571161	0	47	0.0	-65.13	379.83	1.25	-63.88
COC1(CNC(=O)C2C[N@@H+]3CCN2C(C)C3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571196	0	52	0.0	-70.37	397.68	-1.43	-71.80
COC1(CNC(=O)C2C[N@H+]3CCN2C(C)C3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571196	1	52	0.0	-71.33	388.59	-1.08	-72.41
CCCC(C(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030571197	0	51	0.0	-72.79	395.98	1.06	-71.73
COC1(CNC(=O)C(C)(C)[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571202	0	48	0.0	-73.42	371.02	0.43	-72.99
COC1(CNC(=O)C2CCCC[N@@H+]2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571252	0	49	0.0	-69.50	376.01	0.71	-68.79
COC1(CNC(=O)C2CCCC[N@H+]2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571252	1	49	0.0	-72.14	375.35	0.72	-71.42
COC1(CNC(=O)CC2=CC[N@H+](C)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571302	0	50	0.0	-67.71	403.64	1.69	-66.02
COC1(CNC(=O)CC2=CC[N@@H+](C)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571302	1	50	0.0	-72.22	400.95	1.55	-70.67
COC1(CNC(=O)CC2([NH+]3CCCC3)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571312	0	53	0.0	-63.69	409.65	2.12	-61.57
COC1(CNC(=O)C(C)(C)C2CCC[N@H+](C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571368	0	58	0.0	-75.42	432.95	2.46	-72.96
COC1(CNC(=O)C(C)(C)C2CCC[N@@H+](C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571368	1	58	0.0	-75.42	432.95	2.46	-72.96
COC1(CNC(=O)C2=CC=C(CN(C)C)O2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571373	0	49	0.0	-72.66	408.19	1.10	-71.56
COC1(CNC(=O)C2=CC=C(C[NH+](C)C)O2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571373	1	49	0.0	-72.66	408.19	1.10	-71.56
COC1(CNC(=O)C=CC[NH+]2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571395	0	50	0.0	-70.62	407.08	1.88	-68.74
COC1(CNC(=O)C2CC[NH+](C3CC3)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571422	0	53	0.0	-71.08	414.19	2.34	-68.74
COC1(CNC(=O)CC[NH+]2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571447	0	49	0.0	-74.60	391.54	0.97	-73.63
COC1(CNC(=O)C2C[NH+]3CCN2CC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571492	0	49	0.0	-79.64	378.77	-2.29	-81.93
COC1(CNC(=O)C23CC(C2)CN3C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571503	0	47	0.0	-75.46	374.15	0.68	-74.78
COC1(CNC(=O)C23CC(C2)C[N@@H+]3C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571503	1	47	0.0	-71.38	375.64	0.68	-70.70
COC1(CNC(=O)C23CC(C2)C[N@H+]3C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571503	1	47	0.0	-71.38	375.64	0.68	-70.70
COC1(CNC(=O)C[N@@H+]2CC3CCC2C3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571518	0	50	0.0	-63.00	389.03	1.40	-61.60
COC1(CNC(=O)CC2CC[NH+](C(C)C)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571530	0	58	0.0	-66.15	442.01	2.91	-63.24
COC1(CNC(=O)C=C2C[NH+]3CCC2CC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571580	0	51	0.0	-64.69	400.64	1.76	-62.93
COC1(CNC(=O)C(C)C[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571655	0	48	0.0	-68.42	383.18	0.75	-67.67
COC1(CNC(=O)CC2CCCC[N@@H+]2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571751	0	52	0.0	-56.96	396.52	1.52	-55.44
COC1(CNC(=O)CC2CCCC[N@H+]2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571751	1	52	0.0	-56.96	396.52	1.52	-55.44
COC1(CNC(=O)C2=CC3=C(C)N=CN3C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571773	0	47	0.0	-75.55	395.89	3.34	-72.21
COC1(CNC(=O)C2=CC3=C(C)[NH+]=CN3C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571773	1	47	0.0	-75.55	395.89	3.34	-72.21
COC1(CNC(=O)C(C)N2CC(C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571774	0	49	0.0	-71.46	392.73	0.94	-70.52
COC1(CNC(=O)C(C)[NH+]2CC(C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571774	1	49	0.0	-71.46	392.73	0.94	-70.52
COC1(CNC(=O)CN2CCC2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571778	0	46	0.0	-70.27	374.79	0.33	-69.94
COC1(CNC(=O)C[N@@H+]2CCC2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571778	1	46	0.0	-67.66	369.91	0.24	-67.42
COC1(CNC(=O)C[N@H+]2CCC2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571778	1	46	0.0	-67.66	369.91	0.24	-67.42
COC1(CNC(=O)CC(O)C[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571783	0	49	0.0	-73.72	397.47	-1.53	-75.25
COC1(CNC(=O)C2CN(C)CC(C)O2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571819	0	50	0.0	-83.09	402.11	0.43	-82.66
COC1(CNC(=O)C2C[N@H+](C)CC(C)O2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571819	1	50	0.0	-78.04	393.26	0.27	-77.77
COC1(CNC(=O)C2C[N@@H+](C)CC(C)O2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571819	1	50	0.0	-78.04	393.26	0.27	-77.77
COC1(CNC(=O)CC[NH+]2CCC(O)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571831	0	53	0.0	-71.17	419.41	-1.48	-72.65
CCC[N@@H+]1CCCCC1C(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571834	0	55	0.0	-67.27	424.62	2.31	-64.96
CCC[N@H+]1CCCCC1C(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571834	1	55	0.0	-67.27	424.62	2.31	-64.96
CC[NH+]1CCN(CCC(=O)NCC2(OC)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030571839	0	57	0.0	-75.97	441.80	-0.10	-76.07
CCN1CC[NH+](CCC(=O)NCC2(OC)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030571839	1	57	0.0	-75.97	441.80	-0.10	-76.07
COC1(CNC(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571842	0	56	0.0	-67.88	417.92	2.73	-65.15
COC1(CNC(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571842	1	56	0.0	-67.88	417.92	2.73	-65.15
COC1(CNC(=O)C2CC[NH+](CC(C)C)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571887	0	58	0.0	-76.61	444.99	3.05	-73.56
COC1(CNC(=O)CN2CCC([NH+](C)C)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571912	0	57	0.0	-70.11	438.03	0.09	-70.02
COC1(CNC(=O)[C@H]2C[C@H]([NH+](C)C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571933	0	49	0.0	-74.65	391.52	0.96	-73.69
COC1(CNC(=O)C(C)CC[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571941	0	51	0.0	-70.40	404.81	1.36	-69.04
COC1(CNC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571974	0	53	0.0	-63.97	415.50	-1.41	-65.38
COC1(CNC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571974	1	53	0.0	-70.44	412.54	-1.37	-71.81
COC1(CNC(=O)CN2CC[NH+](C)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571989	1	51	0.0	-74.47	402.98	-1.20	-75.67
CC[NH+]1CCN(CC(=O)NCC2(OC)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030571998	0	54	0.0	-73.03	419.79	-0.61	-73.64
COC1(CNC(=O)CSC(N)=[NH2+])CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572029	0	40	0.0	-69.35	352.69	-3.58	-72.93
CC[N@@H+]1CCOCC1CC(=O)NCC1(OC)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572075	0	53	0.0	-73.94	411.51	-0.23	-74.17
COC1(CNC(=O)C2(CC[NH+](C)C)CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572094	0	58	0.0	-68.80	445.04	3.12	-65.68
COC1(CNC(=O)CC[NH+]2C(C)CCCC2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572096	0	58	0.0	-66.27	435.29	2.58	-63.69
COC1(CNC(=O)C2CCC([NH+](C)C)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572099	0	55	0.0	-76.87	422.01	2.08	-74.79
COC1(CNC(=O)C2(CC[NH+](C)C)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572100	0	52	0.0	-73.09	416.70	1.76	-71.33
COC1(CNC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572104	0	55	0.0	-70.88	415.83	1.92	-68.96
COC1(CNC(=O)CC2CC=CC[N@@H+]2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572105	0	50	0.0	-76.75	394.97	1.33	-75.42
COC1(CNC(=O)CC2CC=CC[N@H+]2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572105	1	50	0.0	-76.75	394.97	1.33	-75.42
COC1(CNC(=O)[C@@H](C)OCC[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572134	0	52	0.0	-63.11	420.13	1.15	-61.96
COC1(CNC(=O)C2CC3CCC(C2)[NH+]3C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572168	0	53	0.0	-62.54	385.91	1.95	-60.59
CCC1C[NH+](CC(=O)NCC2(OC)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030572311	1	49	0.0	-75.05	395.86	1.08	-73.97
COC1(CNC(=O)C2C[NH+](C3CCOCC3)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572313	0	54	0.0	-77.02	428.23	0.41	-76.61
COC1(CNC(=O)C2([NH+]3CCCC3)CCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572315	0	53	0.0	-70.84	403.37	2.87	-67.97
COC1(CNC(=O)[C@@H]2CCC[N@H+]2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572326	1	46	0.0	-62.50	370.47	0.43	-62.07
COC1(CNC(=O)CC[N@H+]2CCC(F)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572335	1	49	0.0	-75.78	397.58	1.34	-74.44
COC1C[N@@H+](C)C(C)(C(=O)NCC2(OC)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030572344	1	53	0.0	-74.80	413.76	-0.31	-75.11
COC1(CNC(=O)CC[NH+]2CCCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572357	0	55	0.0	-69.39	418.80	2.09	-67.30
COC1(CNC(=O)C[NH+]2CCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572359	0	49	0.0	-64.76	386.22	1.23	-63.53
COC1(CNC(=O)C2CC[N@H+](C)C2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572369	0	49	0.0	-74.17	385.57	0.74	-73.43
COC1(CNC(=O)C2CC[N@@H+](C)C2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572369	1	49	0.0	-76.32	380.09	0.31	-76.01
COC1(CNC(=O)CCC2CCCC[N@@H+]2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572371	0	55	0.0	-72.72	424.69	2.19	-70.53
COC1(CNC(=O)CCC2CCCC[N@H+]2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572371	1	55	0.0	-72.88	424.45	2.17	-70.71
COC1(CNC(=O)C2CC[N@@H+]3CCOCC23)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572405	0	51	0.0	-72.91	403.71	-0.26	-73.17
COC1(CNC(=O)C2CC[N@H+]3CCOCC23)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572405	1	51	0.0	-74.14	402.38	-0.44	-74.58
COC1(CNC(=O)C2=CN3C(=C[NH+]=C3C)C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572413	0	47	0.0	-70.61	395.13	2.52	-68.09
COC1(CNC(=O)CC2COCCN2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572432	0	50	0.0	-59.48	387.89	-0.86	-60.34
COC1(CNC(=O)CC2COCC[N@@H+]2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572432	1	50	0.0	-71.56	386.67	-1.07	-72.63
COC1(CNC(=O)CC2COCC[N@H+]2C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572432	1	50	0.0	-59.48	387.89	-0.86	-60.34
COC1(CNC(=O)CCC2=[NH+]C(C)=C(C)N2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572442	1	50	0.0	-63.25	415.02	0.76	-62.49
COC1(CNC(=O)C2CCC[N@H+](CC(C)C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572457	0	58	0.0	-66.61	445.85	3.20	-63.41
COC1(CNC(=O)C2CCC[N@@H+](CC(C)C)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572457	1	58	0.0	-73.02	442.97	2.95	-70.07
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@H+]2C)C1	REAL300030572624	1	46	0.0	-69.22	368.05	0.16	-69.06
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CN(C)CCO2)C1	REAL300030572650	0	47	0.0	-72.02	374.37	-0.36	-72.38
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[N@H+](C)CCO2)C1	REAL300030572650	1	47	0.0	-62.06	372.29	-0.37	-62.43
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[N@@H+](C)CCO2)C1	REAL300030572650	1	47	0.0	-72.02	374.37	-0.36	-72.38
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCCN2C=C[NH+]=C2C)C1	REAL300030572819	1	50	0.0	-69.38	416.27	2.56	-66.82
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300030572823	1	56	0.0	-77.04	443.57	1.24	-75.80
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(C[NH+](C)C)C=C2)C1	REAL300030572829	0	52	0.0	-83.83	418.84	2.69	-81.14
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[NH+]2CCOCC2)C1	REAL300030572830	1	50	0.0	-75.54	400.58	-0.34	-75.88
CCC[NH+](CCC)CCCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030572853	0	60	0.0	-73.56	463.44	3.52	-70.04
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300030572869	0	50	0.0	-68.78	383.77	0.93	-67.85
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300030572887	1	44	0.0	-70.46	372.64	2.59	-67.87
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCCC([NH+](C)C)C2)C1	REAL300030572959	0	55	0.0	-71.37	421.82	2.27	-69.10
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2CC[N@H+](C)C2)C1	REAL300030572963	0	49	0.0	-77.24	391.88	0.98	-76.26
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2CC[N@@H+](C)C2)C1	REAL300030572963	1	49	0.0	-76.51	390.83	0.95	-75.56
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C[NH+]=CC=C2N(C)C)C1	REAL300030572976	0	48	0.0	-81.80	393.86	-0.48	-82.28
CCC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1)[NH+](C)C	REAL300030572982	0	48	0.0	-66.58	375.50	0.66	-65.92
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)C1	REAL300030572991	1	47	0.0	-72.75	404.09	0.98	-71.77
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC3CC(C)C[N@@H+]3C2)C1	REAL300030573038	0	56	0.0	-60.09	426.48	2.91	-57.18
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC3CC(C)C[N@H+]3C2)C1	REAL300030573038	1	56	0.0	-70.65	427.37	3.02	-67.63
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCCC[NH+](C)C)C1	REAL300030573068	0	51	0.0	-74.99	410.66	1.79	-73.20
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C(C)C)[NH+](C)C)C1	REAL300030573091	0	51	0.0	-65.56	392.35	0.96	-64.60
CCC[N@H+](C)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030573093	0	51	0.0	-73.98	406.90	1.62	-72.36
CCC[N@@H+](C)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030573093	1	51	0.0	-73.89	406.87	1.61	-72.28
CCC[N@H+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030573099	0	48	0.0	-70.59	384.54	1.05	-69.54
CCC[N@@H+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030573099	1	48	0.0	-70.73	384.55	1.06	-69.67
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300030573128	0	50	0.0	-75.82	382.43	0.31	-75.51
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300030573128	1	50	0.0	-75.75	381.55	0.29	-75.46
CCCCCC[N@H+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030573172	0	57	0.0	-74.00	448.94	3.12	-70.88
CCCCCC[N@@H+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030573172	1	57	0.0	-71.94	449.05	3.40	-68.54
CC[NH+](CC)C(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1)C(C)C	REAL300030573180	0	57	0.0	-69.89	416.89	2.73	-67.16
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCC(C)CC2)C1	REAL300030573219	0	52	0.0	-71.04	407.88	2.12	-68.92
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300030573247	1	47	0.0	-74.90	401.23	0.67	-74.23
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)COC2CC[NH+](C)CC2)C1	REAL300030573256	0	53	0.0	-79.28	425.21	1.78	-77.50
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300030573322	0	53	0.0	-72.67	410.85	2.01	-70.66
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300030573322	1	53	0.0	-71.16	411.66	2.04	-69.12
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(C[NH+](C)C)CC2)C1	REAL300030573335	0	49	0.0	-75.52	396.86	1.46	-74.06
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC3=C[NH+]=C(C)N3C2)C1	REAL300030573336	1	51	0.0	-68.91	413.67	1.99	-66.92
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[NH+](C(C)C)CC2)C1	REAL300030573348	0	55	0.0	-76.67	417.84	1.75	-74.92
CC[N@H+](C)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030573381	0	48	0.0	-73.21	385.37	0.87	-72.34
CC[N@@H+](C)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030573381	1	48	0.0	-73.19	385.41	0.87	-72.32
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)(C)[NH+]2CCCCC2)C1	REAL300030573412	0	55	0.0	-58.53	408.88	2.51	-56.02
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300030573430	0	50	0.0	-81.01	385.35	1.38	-79.63
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[NH+](C)CC2)C1	REAL300030573521	0	49	0.0	-79.67	387.17	0.79	-78.88
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1	REAL300030573542	0	51	0.0	-65.15	388.73	1.13	-64.02
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[NH+](CC3CC3)CC2)C1	REAL300030573627	0	56	0.0	-78.96	438.60	3.34	-75.62
CC[NH+](CC)CC(F)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030573672	0	51	0.0	-74.70	408.33	1.57	-73.13
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(C[NH+](C)C)C=CS2)C1	REAL300030573673	0	49	0.0	-62.92	406.90	1.74	-61.18
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@H+](CC(C)C)C2)C1	REAL300030573715	0	55	0.0	-75.06	429.10	2.22	-72.84
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@@H+](CC(C)C)C2)C1	REAL300030573715	1	55	0.0	-67.79	427.26	2.29	-65.50
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2([NH+](C)C)CCC2)C1	REAL300030573719	0	49	0.0	-67.72	377.10	0.84	-66.88
CCC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1)[NH+](CC)CC	REAL300030573754	0	54	0.0	-70.27	406.04	2.52	-67.75
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+]2CCCC2C)C1	REAL300030573782	0	49	0.0	-68.08	391.67	1.23	-66.85
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+]2CCCC2C)C1	REAL300030573782	1	49	0.0	-69.46	390.69	1.13	-68.33
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCN2C=C[NH+]=C2C(C)C)C1	REAL300030573866	1	53	0.0	-66.45	430.77	2.81	-63.64
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)[NH+]2CCCCCC2)C1	REAL300030573873	0	55	0.0	-66.62	414.60	2.02	-64.60
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCCC[N@@H+]2C(C)C)C1	REAL300030573875	0	55	0.0	-66.72	418.20	1.86	-64.86
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCCC[N@H+]2C(C)C)C1	REAL300030573875	1	55	0.0	-66.05	417.86	1.89	-64.16
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@@H+]2C(C)C)C1	REAL300030573905	0	52	0.0	-63.39	401.73	1.46	-61.93
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@H+]2C(C)C)C1	REAL300030573905	1	52	0.0	-70.25	396.88	1.61	-68.64
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(CN2C=CC=N2)[NH+](C)C)C1	REAL300030573911	1	52	0.0	-78.05	418.79	1.39	-76.66
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2CCC[N@@H+]2C(C)C)C1	REAL300030573916	0	55	0.0	-67.30	413.86	1.48	-65.82
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2CCC[N@H+]2C(C)C)C1	REAL300030573916	1	55	0.0	-60.67	416.27	1.60	-59.07
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1	REAL300030573917	0	56	0.0	-64.03	425.53	2.89	-61.14
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@H+]2C2CCCC2)C1	REAL300030573917	1	56	0.0	-70.29	416.36	2.79	-67.50
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1	REAL300030573938	0	51	0.0	-70.97	387.44	1.15	-69.82
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+]2CCC(C)C2)C1	REAL300030573967	0	49	0.0	-64.14	392.04	1.18	-62.96
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+]2CCC(C)C2)C1	REAL300030573967	1	49	0.0	-64.47	392.93	1.23	-63.24
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(F)CC[N@@H+](C(C)(C)C)C2)C1	REAL300030573968	0	55	0.0	-68.04	425.01	1.84	-66.20
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(F)CC[N@H+](C(C)(C)C)C2)C1	REAL300030573968	1	55	0.0	-63.59	425.49	1.62	-61.97
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCN3C(=C[NH+]=C3C)C2)C1	REAL300030573970	1	51	0.0	-73.11	408.20	1.89	-71.22
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1	REAL300030573973	0	52	0.0	-66.91	410.63	1.61	-65.30
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1	REAL300030573973	1	52	0.0	-64.33	411.74	1.70	-62.63
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+](C)CC(C)(C)C)C1	REAL300030573974	0	54	0.0	-70.53	415.33	2.16	-68.37
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+](C)CC(C)(C)C)C1	REAL300030573974	1	54	0.0	-70.05	412.45	2.03	-68.02
CC[C@@H](C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1)[NH+](C)C	REAL300030573985	0	48	0.0	-69.11	375.55	0.33	-68.78
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)COCC(C)[NH+]2CCCC2)C1	REAL300030573993	0	56	0.0	-70.84	443.93	2.43	-68.41
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCN(C)C2=CC=[NH+]C=C2)C1	REAL300030574146	0	51	0.0	-68.05	420.02	1.31	-66.74
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2C=C[NH+]=C2C)C1	REAL300030574261	1	44	0.0	-66.91	373.71	1.23	-65.68
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)C[NH+]2CCOCC2)C1	REAL300030574263	0	53	0.0	-70.92	418.46	0.27	-70.65
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC[NH+]2CCCCC2)C1	REAL300030574285	0	55	0.0	-72.93	430.82	2.88	-70.05
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NOC(C[NH+](C)C)=C2)C1	REAL300030574306	1	48	0.0	-74.98	402.77	0.50	-74.48
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(C)N3C=[NH+]C=C3C=C2)C1	REAL300030574308	0	47	0.0	-71.27	397.17	3.01	-68.26
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2C=C[NH+]=C2C(C)C)C1	REAL300030574353	1	50	0.0	-61.24	412.47	2.23	-59.01
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300030574403	0	53	0.0	-63.43	407.68	2.27	-61.16
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300030574403	1	53	0.0	-66.04	405.80	1.98	-64.06
CC[N@@H+]1CCOC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(OC)C2)C1	REAL300030574436	1	50	0.0	-75.12	397.91	0.45	-74.67
CC[N@H+]1CCOC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(OC)C2)C1	REAL300030574436	1	50	0.0	-60.57	390.52	0.39	-60.18
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300030574505	0	44	0.0	-69.95	371.12	2.45	-67.50
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2C=[NH+]C=C2C)C1	REAL300030574510	1	44	0.0	-71.17	374.02	1.95	-69.22
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN(CC[NH+](C)C)N=C2)C1	REAL300030574514	0	52	0.0	-75.79	425.99	0.66	-75.13
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NN(CC[NH+](C)C)C=C2)C1	REAL300030574528	0	52	0.0	-76.48	428.04	0.93	-75.55
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	REAL300030574534	0	49	0.0	-69.19	383.74	0.82	-68.37
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	REAL300030574534	1	49	0.0	-70.12	388.04	0.62	-69.50
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030574537	1	53	0.0	-66.59	431.26	2.87	-63.72
CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(OC)C2)CC[N@@H+]1C	REAL300030574540	0	52	0.0	-74.98	400.77	1.23	-73.75
CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(OC)C2)CC[N@H+]1C	REAL300030574540	1	52	0.0	-72.79	402.71	1.42	-71.37
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2C(C)CCC2C)C1	REAL300030574560	0	52	0.0	-66.75	401.51	1.67	-65.08
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC[NH+]2CCCC2)C1	REAL300030574567	0	52	0.0	-72.74	413.55	2.07	-70.67
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC(C[NH+](C)C)=C2)C1	REAL300030574568	0	52	0.0	-71.29	420.66	2.58	-68.71
C#CC[NH+]1CCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(OC)C2)CC1	REAL300030574576	0	51	0.0	-78.06	410.49	2.30	-75.76
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[NH+]2CCCCC2)C1	REAL300030574577	0	52	0.0	-72.55	408.87	2.04	-70.51
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC=C2C[NH+](C)C)C1	REAL300030574582	0	52	0.0	-62.42	415.06	2.50	-59.92
CC[N@@H+]1CCCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030574591	0	52	0.0	-67.97	404.51	1.58	-66.39
CC[N@H+]1CCCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030574591	1	52	0.0	-68.46	391.59	1.42	-67.04
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C(C)C)[NH+]2CCCCC2)C1	REAL300030574592	0	58	0.0	-64.56	433.74	2.94	-61.62
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C2=CC=CC=C2)[NH+](C)C)C1	REAL300030574595	1	52	0.0	-69.60	415.78	2.96	-66.64
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2C=[NH+]C3=C2CCCC3)C1	REAL300030574601	1	51	0.0	-70.70	416.92	3.72	-66.98
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(C[NH+](C)C)CCCCC2)C1	REAL300030574644	0	58	0.0	-71.96	422.56	2.98	-68.98
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[N@H+](C)C2CCCCC2)C1	REAL300030574650	0	58	0.0	-67.24	445.12	3.12	-64.12
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[N@@H+](C)C2CCCCC2)C1	REAL300030574650	1	58	0.0	-74.34	443.73	3.25	-71.09
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2([NH+](C)C)CCCC2)C1	REAL300030574652	0	55	0.0	-70.55	409.22	1.82	-68.73
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+](C)C2CCC2)C1	REAL300030574875	0	49	0.0	-68.80	391.55	1.65	-67.15
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+](C)C2CCC2)C1	REAL300030574875	1	49	0.0	-70.51	391.31	1.34	-69.17
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)[NH+]2C(C)CCC2C)C1	REAL300030574906	0	55	0.0	-69.04	409.67	2.29	-66.75
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300030574923	0	55	0.0	-73.62	436.64	2.97	-70.65
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+](C)CC2=CC=CC=C2)C1	REAL300030574925	1	52	0.0	-75.28	421.97	3.25	-72.03
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)C1	REAL300030574925	1	52	0.0	-75.02	421.97	3.25	-71.77
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[NH+](C)CC2)C1	REAL300030574940	0	49	0.0	-79.67	387.17	0.79	-78.88
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1	REAL300030575005	0	46	0.0	-70.21	366.50	0.26	-69.95
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@H]2CCC[N@H+]2C)C1	REAL300030575005	1	46	0.0	-62.98	365.95	0.04	-62.94
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030575029	1	48	0.0	-69.61	391.10	1.08	-68.53
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030575029	1	48	0.0	-70.78	395.27	1.59	-69.19
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC2CCC[N@@H+]2C)C1	REAL300030575038	0	52	0.0	-73.00	407.12	1.47	-71.53
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC2CCC[N@H+]2C)C1	REAL300030575038	1	52	0.0	-77.36	412.60	1.86	-75.50
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300030575050	0	53	0.0	-85.27	394.81	1.43	-83.84
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300030575058	0	53	0.0	-63.44	405.51	1.85	-61.59
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300030575058	1	53	0.0	-60.62	406.68	1.98	-58.64
CCC[N@@H+]1CCCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(OC)C2)C1	REAL300030575150	0	55	0.0	-67.07	420.42	2.34	-64.73
CCC[N@H+]1CCCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(OC)C2)C1	REAL300030575150	1	55	0.0	-68.38	424.55	2.20	-66.18
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[N@@H+](C(C)C)CCO2)C1	REAL300030575172	0	53	0.0	-74.48	415.11	0.92	-73.56
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[N@H+](C(C)C)CCO2)C1	REAL300030575172	1	53	0.0	-74.80	407.99	0.68	-74.12
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1	REAL300030575191	0	56	0.0	-72.09	422.45	0.44	-71.65
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300030575211	0	49	0.0	-69.96	373.90	0.76	-69.20
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCCC[N@H+]2C)C1	REAL300030575211	1	49	0.0	-59.24	387.72	1.05	-58.19
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@@H+]2CC(C)C)C1	REAL300030575242	0	55	0.0	-63.48	422.67	2.06	-61.42
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@H+]2CC(C)C)C1	REAL300030575242	1	55	0.0	-69.03	428.45	2.51	-66.52
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300030575263	0	53	0.0	-71.81	418.71	-1.19	-73.00
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=C2CC3CCC(C2)[NH+]3C)C1	REAL300030575300	0	54	0.0	-72.94	416.77	2.11	-70.83
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@H+](C)C2C)C1	REAL300030575319	0	49	0.0	-68.62	389.24	0.70	-67.92
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@@H+](C)C2C)C1	REAL300030575319	1	49	0.0	-63.82	384.26	0.96	-62.86
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC2CCCC[N@@H+]2C)C1	REAL300030575322	0	55	0.0	-70.35	427.02	2.52	-67.83
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC2CCCC[N@H+]2C)C1	REAL300030575322	1	55	0.0	-67.02	428.15	2.54	-64.48
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC3=C(CCC3)[NH+]=C2N)C1	REAL300030575360	1	49	0.0	-60.28	399.18	0.26	-60.02
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@@H+]2C(C)(C)C)C1	REAL300030575442	0	52	0.0	-68.65	406.55	1.35	-67.30
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@H+]2C(C)(C)C)C1	REAL300030575442	1	52	0.0	-64.11	406.51	1.05	-63.06
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300030575466	0	45	0.0	-61.90	363.80	-0.09	-61.99
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=NC(C[NH+](C)C)=C2)C1	REAL300030575486	1	51	0.0	-68.77	416.70	0.76	-68.01
C=CCC(C)(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1)[NH+](C)C	REAL300030575492	0	52	0.0	-59.02	391.63	0.92	-58.10
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(N)C3=CC=CC=C3[NH+]=C2)C1	REAL300030575523	1	48	0.0	-62.35	395.84	-0.29	-62.64
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[NH+]2CCCC2)C1	REAL300030575527	0	49	0.0	-72.77	393.65	1.37	-71.40
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+](C)CCO)C1	REAL300030575537	1	46	0.0	-71.98	373.40	-2.92	-74.90
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+](C)CCO)C1	REAL300030575537	1	46	0.0	-73.01	373.85	-3.18	-76.19
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300030575582	0	52	0.0	-85.01	389.83	-0.81	-85.82
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300030575582	1	52	0.0	-69.60	389.42	-0.86	-70.46
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)[NH+]2CCSCC2)C1	REAL300030575613	1	50	0.0	-71.56	403.90	1.56	-70.00
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=CC[N@H+](C)CC2)C1	REAL300030575661	0	50	0.0	-72.97	402.99	1.70	-71.27
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=CC[N@@H+](C)CC2)C1	REAL300030575661	1	50	0.0	-70.78	404.42	1.66	-69.12
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(O)CC[S+](C)C)C1	REAL300030575678	0	48	0.0	-80.95	408.09	-0.83	-81.78
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(C)CC(O)C[N@@H+]2C)C1	REAL300030575702	0	50	0.0	-65.40	389.67	-2.95	-68.35
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(C)CC(O)C[N@H+]2C)C1	REAL300030575702	1	50	0.0	-69.31	384.02	-2.50	-71.81
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CN(C)CC[N@H+](C)C2)C1	REAL300030575718	0	54	0.0	-70.88	412.99	-0.75	-71.63
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CN(C)CC[N@@H+](C)C2)C1	REAL300030575718	1	54	0.0	-65.47	415.30	-1.08	-66.55
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)[N@@H+]2CCCC(O)C2)C1	REAL300030575719	0	53	0.0	-63.44	415.62	-1.37	-64.81
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)[N@H+]2CCCC(O)C2)C1	REAL300030575719	1	53	0.0	-70.94	414.72	-1.55	-72.49
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(N)[NH+]=CC3=C2CCC3)C1	REAL300030575753	0	49	0.0	-60.05	407.26	0.39	-59.66
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2(O)CCC[N@H+](C)C2)C1	REAL300030575760	0	53	0.0	-64.13	416.92	-0.07	-64.20
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2(O)CCC[N@@H+](C)C2)C1	REAL300030575760	1	53	0.0	-69.76	405.74	-0.45	-70.21
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CC(C)C2)C1	REAL300030575767	1	46	0.0	-72.98	376.86	0.46	-72.52
CC[N@@H+]1CCCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(OC)C2)C1	REAL300030575775	0	52	0.0	-70.55	400.05	1.71	-68.84
CC[N@H+]1CCCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(OC)C2)C1	REAL300030575775	1	52	0.0	-71.28	405.77	1.60	-69.68
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=CC=C[NH+]=C2N)C1	REAL300030575785	0	45	0.0	-65.78	379.56	-0.54	-66.32
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300030575800	0	50	0.0	-62.77	399.58	1.75	-61.02
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300030575800	1	50	0.0	-68.21	396.79	1.67	-66.54
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300030575853	0	50	0.0	-76.03	405.76	1.91	-74.12
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300030575882	0	53	0.0	-74.09	414.68	2.51	-71.58
CC[N@H+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030575935	0	45	0.0	-64.62	364.44	0.16	-64.46
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2CC3C=CC2C3)C1	REAL300030576002	0	48	0.0	-64.18	384.44	1.24	-62.94
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300030576002	1	48	0.0	-70.78	384.45	1.33	-69.45
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300030576002	1	48	0.0	-70.78	384.45	1.33	-69.45
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCNC2=CC=C(C)C=N2)C1	REAL300030576027	0	51	0.0	-68.35	424.16	1.05	-67.30
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCNC2=CC=C(C)C=[NH+]2)C1	REAL300030576027	1	51	0.0	-68.35	424.16	1.05	-67.30
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300030576160	0	53	0.0	-68.42	396.97	1.51	-66.91
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[N@H+]2CCCC3)C1	REAL300030576160	1	53	0.0	-68.42	396.97	1.51	-66.91
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300030576171	0	51	0.0	-62.56	390.33	1.39	-61.17
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300030576171	1	51	0.0	-62.56	390.33	1.39	-61.17
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)OCC[NH+](C)C)C1	REAL300030576183	0	52	0.0	-66.71	417.57	1.13	-65.58
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCOCC[NH+](C)C)C1	REAL300030576195	0	52	0.0	-73.42	422.14	0.44	-72.98
COCCN(C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030576197	0	49	0.0	-72.87	396.10	-0.78	-73.65
COCC[N@H+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030576197	1	49	0.0	-72.30	395.66	-0.52	-72.82
COCC[N@@H+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030576197	1	49	0.0	-72.30	395.66	-0.52	-72.82
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC(C)[NH+](C)C)C1	REAL300030576204	0	51	0.0	-71.40	401.96	1.40	-70.00
CC[N@H+](CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1)C1CC1	REAL300030576240	0	49	0.0	-69.85	387.42	1.21	-68.64
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[N@@H+]3CCN2C(C)C3)C1	REAL300030576260	0	52	0.0	-68.47	388.62	-0.73	-69.20
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CC(C2)C[N@@H+]3C)C1	REAL300030576295	0	47	0.0	-68.34	373.75	0.57	-67.77
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=CC2=CC=C(N)N=C2C)C1	REAL300030576305	0	49	0.0	-72.59	410.12	0.29	-72.30
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=CC2=CC=C(N)[NH+]=C2C)C1	REAL300030576305	1	49	0.0	-72.59	410.12	0.29	-72.30
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300030576314	0	50	0.0	-68.24	389.41	1.52	-66.72
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300030576314	1	50	0.0	-68.24	389.41	1.52	-66.72
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2CC[NH+](C(C)C)CC2)C1	REAL300030576330	0	58	0.0	-67.55	442.83	3.21	-64.34
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)C[NH+](C)C)C1	REAL300030576344	0	48	0.0	-66.23	382.49	0.55	-65.68
CCN1CCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030576405	0	46	0.0	-70.84	376.94	0.62	-70.22
CC[N@@H+]1CCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030576405	1	46	0.0	-64.28	369.88	-0.02	-64.30
CC[N@H+]1CCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030576405	1	46	0.0	-64.28	369.88	-0.02	-64.30
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@@H+](C(C)C)C2)C1	REAL300030576419	0	55	0.0	-65.97	415.59	2.11	-63.86
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@H+](C(C)C)C2)C1	REAL300030576419	1	55	0.0	-65.97	415.59	2.11	-63.86
CCC(C)(C)[NH2+]C(C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030576441	0	54	0.0	-62.12	409.79	-0.08	-62.20
C#CCN1CCCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030576495	0	51	0.0	-69.19	400.51	1.76	-67.43
C#CC[N@H+]1CCCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030576495	1	51	0.0	-69.56	399.86	1.73	-67.83
C#CC[N@@H+]1CCCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030576495	1	51	0.0	-69.56	399.86	1.73	-67.83
CNC1=NC(C)=CC=C1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030576499	0	48	0.0	-67.85	394.23	-0.01	-67.86
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030576499	1	48	0.0	-67.85	394.23	-0.01	-67.86
CCCC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1)[NH+](C)C	REAL300030576512	0	51	0.0	-65.71	399.50	1.37	-64.34
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)(C)[NH+](C)C)C1	REAL300030576520	0	48	0.0	-75.97	368.15	0.64	-75.33
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)CC[NH+](C)C)C1	REAL300030576546	0	51	0.0	-67.33	404.13	1.18	-66.15
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1	REAL300030576606	0	56	0.0	-66.67	417.30	2.58	-64.09
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1	REAL300030576606	1	56	0.0	-66.67	417.30	2.58	-64.09
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300030576643	0	51	0.0	-71.24	400.63	1.82	-69.42
COCCCC[N@H+](C)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030576688	0	58	0.0	-77.76	462.04	1.46	-76.30
COCCCC[N@@H+](C)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030576688	1	58	0.0	-77.76	462.04	1.46	-76.30
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC(C)(C)C[N@@H+]2C)C1	REAL300030576700	0	52	0.0	-63.59	410.48	1.54	-62.05
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCCCC[NH+](C)C)C1	REAL300030576706	0	54	0.0	-74.36	432.16	2.58	-71.78
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[NH+]2CCC(O)CC2)C1	REAL300030576711	0	53	0.0	-75.71	420.41	-1.26	-76.97
CCC[N@@H+]1CCCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030576717	0	55	0.0	-68.89	413.08	2.16	-66.73
CCC[N@H+]1CCCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030576717	1	55	0.0	-68.89	413.08	2.16	-66.73
CC[NH+]1CCN(CCC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(OC)C2)CC1	REAL300030576727	0	57	0.0	-74.00	443.91	0.31	-73.69
CCN1CC[NH+](CCC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(OC)C2)CC1	REAL300030576727	1	57	0.0	-74.00	443.91	0.31	-73.69
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2CCN(C)CC2)C1	REAL300030576731	0	51	0.0	-73.87	404.57	-1.15	-75.02
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2CC[NH+](C)CC2)C1	REAL300030576731	1	51	0.0	-73.87	404.57	-1.15	-75.02
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[NH+](CC(C)C)CC2)C1	REAL300030576865	0	58	0.0	-78.43	444.19	2.88	-75.55
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[N@H+](C)CC(C)O2)C1	REAL300030576868	1	50	0.0	-76.32	402.83	0.58	-75.74
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[N@@H+](C)CC(C)O2)C1	REAL300030576868	1	50	0.0	-77.01	395.40	0.13	-76.88
CCC1CCC[N@H+](CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(OC)C2)C1	REAL300030576904	0	55	0.0	-70.89	419.27	2.72	-68.17
CCC1CCC[N@@H+](CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(OC)C2)C1	REAL300030576904	1	55	0.0	-64.41	427.67	2.69	-61.72
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(C[NH+](C)C)N2)C1	REAL300030576915	0	50	0.0	-87.09	407.81	0.78	-86.31
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300030576938	0	47	0.0	-72.70	380.68	1.24	-71.46
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2([NH+]3CCCC3)CC2)C1	REAL300030576957	0	53	0.0	-61.58	411.53	2.25	-59.33
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)[NH2+]C2(CO)CCCC2)C1	REAL300030576975	0	56	0.0	-71.23	425.58	-2.73	-73.96
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300030577008	0	49	0.0	-69.96	373.90	0.76	-69.20
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCCC[N@H+]2C)C1	REAL300030577008	1	49	0.0	-59.24	387.72	1.05	-58.19
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@H+](CC(C)C)C2)C1	REAL300030577021	0	58	0.0	-72.82	443.80	2.84	-69.98
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@@H+](CC(C)C)C2)C1	REAL300030577021	1	58	0.0	-68.60	437.39	2.92	-65.68
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2CCC([NH+](C)C)CC2)C1	REAL300030577087	0	57	0.0	-67.60	440.04	0.27	-67.33
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=C2CC[N@H+](C)C2)C1	REAL300030577161	0	47	0.0	-78.17	382.45	0.90	-77.27
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=C2CC[N@@H+](C)C2)C1	REAL300030577161	1	47	0.0	-70.28	384.31	1.06	-69.22
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300030577167	0	45	0.0	-72.59	381.01	-1.09	-73.68
CC[NH+]1CCN(CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(OC)C2)CC1	REAL300030577237	0	54	0.0	-72.84	421.81	-0.51	-73.35
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=C2C[NH+]3CCC2CC3)C1	REAL300030577240	0	51	0.0	-69.50	401.45	1.76	-67.74
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2([NH+](C)C)CCCC2)C1	REAL300030577292	0	52	0.0	-75.06	385.95	1.02	-74.04
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)C1	REAL300030577309	0	53	0.0	-71.09	414.83	-1.44	-72.53
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)C1	REAL300030577309	1	53	0.0	-68.04	414.45	-1.24	-69.28
CCC1C[NH+](CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(OC)C2)C1	REAL300030577317	1	49	0.0	-73.93	398.01	1.19	-72.74
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[NH+](C3CCOCC3)C2)C1	REAL300030577321	0	54	0.0	-76.80	429.18	0.59	-76.21
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300030577323	0	53	0.0	-62.16	399.63	1.61	-60.55
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1	REAL300030577339	0	46	0.0	-66.67	365.90	0.11	-66.56
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@@H]2CCC[N@H+]2C)C1	REAL300030577339	1	46	0.0	-64.14	370.23	0.25	-63.89
CC[N@@H+]1CCOCC1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030577379	0	53	0.0	-69.93	408.75	-0.28	-70.21
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[NH+](C3CCCCC3)C2)C1	REAL300030577407	0	56	0.0	-73.30	437.00	3.02	-70.28
COC1C[N@@H+]2CCCC2(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(OC)C2)C1	REAL300030577424	0	54	0.0	-75.66	410.65	0.01	-75.65
COC1C[N@H+]2CCCC2(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(OC)C2)C1	REAL300030577424	1	54	0.0	-75.66	410.65	0.01	-75.65
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C3NC(N)=NC3=C2)C1	REAL300030577496	0	46	0.0	-65.60	386.42	0.33	-65.27
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C3NC(N)=[NH+]C3=C2)C1	REAL300030577496	1	46	0.0	-65.60	386.42	0.33	-65.27
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C1	REAL300030577545	0	49	0.0	-68.45	394.78	1.18	-67.27
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(CC[NH+](C)C)CCCC2)C1	REAL300030577558	0	58	0.0	-82.62	441.23	2.80	-79.82
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[NH+]2C(C)CCCC2C)C1	REAL300030577560	0	58	0.0	-68.65	439.28	2.71	-65.94
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC([NH+](C)C)CC2)C1	REAL300030577563	0	55	0.0	-71.12	414.89	1.79	-69.33
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(CC[NH+](C)C)CC2)C1	REAL300030577564	0	52	0.0	-73.22	417.27	2.00	-71.22
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C1	REAL300030577569	0	55	0.0	-68.43	415.35	1.87	-66.56
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2CC=CC[N@@H+]2C)C1	REAL300030577570	0	50	0.0	-76.87	397.09	1.45	-75.42
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2CC=CC[N@H+]2C)C1	REAL300030577570	1	50	0.0	-63.48	391.57	1.39	-62.09
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=CC2=C[NH+]=C(N)C(C)=C2)C1	REAL300030577633	1	49	0.0	-76.36	410.34	0.60	-75.76
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)COCC[NH+](C)C)C1	REAL300030577648	0	49	0.0	-70.81	401.17	0.74	-70.07
CCCCC[N@H+](C)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030577655	0	57	0.0	-74.86	449.90	3.18	-71.68
CCCCC[N@@H+](C)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030577655	1	57	0.0	-74.83	449.86	3.17	-71.66
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)C1	REAL300030577669	0	53	0.0	-75.37	422.34	1.27	-74.10
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2C=CSC2=[NH2+])C1	REAL300030577700	0	42	0.0	-67.21	372.38	-0.17	-67.38
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@@H](C)OCC[NH+](C)C)C1	REAL300030577794	0	52	0.0	-66.39	417.35	1.14	-65.25
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[NH+]2CCCCCC2)C1	REAL300030577863	0	55	0.0	-73.00	419.80	2.65	-70.35
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCCCC2)C1	REAL300030577867	0	49	0.0	-70.25	387.05	1.51	-68.74
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@H+](C)C2)C1	REAL300030577869	0	49	0.0	-76.84	379.30	0.81	-76.03
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@@H+](C)C2)C1	REAL300030577869	1	49	0.0	-59.35	381.36	1.24	-58.11
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300030577871	0	53	0.0	-71.81	418.71	-1.19	-73.00
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCCCCC2)C1	REAL300030577877	0	52	0.0	-69.22	396.28	1.70	-67.52
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N+]2=CN(C)C=C2)C1	REAL300030577884	0	44	0.0	-69.03	376.55	3.16	-65.87
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)(C)C2CCC[N@H+](C)C2)C1	REAL300030577903	0	58	0.0	-75.66	429.97	2.08	-73.58
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)(C)C2CCC[N@@H+](C)C2)C1	REAL300030577903	1	58	0.0	-75.35	429.53	2.26	-73.09
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(C[NH+](C)C)O2)C1	REAL300030577909	1	49	0.0	-70.99	408.11	1.15	-69.84
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(C[NH+](C)C)N=C2)C1	REAL300030577917	0	51	0.0	-73.84	414.19	0.66	-73.18
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300030577936	1	50	0.0	-74.67	398.11	-1.85	-76.52
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+](C)C2CC2)C1	REAL300030577942	0	46	0.0	-68.32	374.70	1.06	-67.26
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+](C)C2CC2)C1	REAL300030577942	1	46	0.0	-67.27	374.58	1.06	-66.21
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)N2CC[NH+](C)CC2)C1	REAL300030577944	1	54	0.0	-74.20	417.69	-0.88	-75.08
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[N@@H+]2CCC(F)C2)C1	REAL300030577948	0	49	0.0	-80.00	398.18	1.17	-78.83
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[N@H+]2CCC(F)C2)C1	REAL300030577948	1	49	0.0	-80.38	397.95	1.13	-79.25
COC1C[N@H+](C)C(C)(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(OC)C2)C1	REAL300030577964	0	53	0.0	-79.91	407.99	-0.49	-80.40
COC1C[N@@H+](C)C(C)(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(OC)C2)C1	REAL300030577964	1	53	0.0	-63.53	411.44	-0.38	-63.91
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC(C)C[NH+](C)C)C1	REAL300030577987	0	51	0.0	-74.55	402.51	1.66	-72.89
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300030578009	0	51	0.0	-68.00	397.85	-0.11	-68.11
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@H+]3CCOCC23)C1	REAL300030578009	1	51	0.0	-78.51	400.25	-0.43	-78.94
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN3C(=C[NH+]=C3C)C=C2)C1	REAL300030578018	0	47	0.0	-66.07	392.54	2.23	-63.84
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2COCC[N@@H+]2C)C1	REAL300030578038	1	50	0.0	-79.16	396.51	-0.58	-79.74
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2COCC[N@H+]2C)C1	REAL300030578038	1	50	0.0	-72.88	395.55	-0.76	-73.64
CC[NH+]1CCN(CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(OC)C2)CC1	REAL300030578051	0	54	0.0	-72.84	421.81	-0.51	-73.35
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C[NH+]=C(N)C=C2C)C1	REAL300030578120	1	45	0.0	-76.23	374.28	-1.41	-77.64
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC2=CC=C(N)[NH+]=C2)C1	REAL300030578123	0	48	0.0	-71.01	404.33	0.15	-70.86
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+]2CCC(C)(O)C2)C1	REAL300030578181	0	50	0.0	-66.89	401.38	-2.20	-69.09
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+]2CCC(C)(O)C2)C1	REAL300030578181	1	50	0.0	-67.49	401.65	-2.23	-69.72
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=NN2CC[NH+](C)C)C1	REAL300030578189	0	52	0.0	-67.98	419.79	0.56	-67.42
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2C[NH+](C)C2)C1	REAL300030578225	0	46	0.0	-73.56	376.59	0.47	-73.09
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300030578231	0	53	0.0	-73.16	418.00	2.33	-70.83
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300030578231	1	53	0.0	-70.75	411.40	2.29	-68.46
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+](C)C)C1	REAL300030578241	0	42	0.0	-71.15	345.30	-0.36	-71.51
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[N@H+](C)CCO)C1	REAL300030578286	0	49	0.0	-72.50	395.72	-2.36	-74.86
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[N@@H+](C)CCO)C1	REAL300030578286	1	49	0.0	-72.81	396.11	-2.39	-75.20
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300030578287	0	45	0.0	-61.90	363.80	-0.09	-61.99
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2CCCC[N@@H+]2C)C1	REAL300030578312	0	52	0.0	-57.79	398.41	1.63	-56.16
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2CCCC[N@H+]2C)C1	REAL300030578312	1	52	0.0	-63.17	397.12	1.43	-61.74
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC3=C(C)[NH+]=CN3C=C2)C1	REAL300030578344	1	47	0.0	-71.02	393.33	3.05	-67.97
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)[NH+]2CC(C)C2)C1	REAL300030578345	1	49	0.0	-63.34	398.02	1.12	-62.22
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+]2CCC2C)C1	REAL300030578351	1	46	0.0	-71.73	376.54	0.44	-71.29
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+]2CCC2C)C1	REAL300030578351	1	46	0.0	-65.67	371.78	0.26	-65.41
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=CC[NH+](C)C)C1	REAL300030578371	0	46	0.0	-77.49	382.37	0.87	-76.62
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CC(C)(C)C2)C1	REAL300030578386	1	49	0.0	-64.45	397.28	1.20	-63.25
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCCC[NH+]2CCCCC2)C1	REAL300030578400	0	58	0.0	-73.58	452.32	3.66	-69.92
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC2=[NH+]C(C)=C(C)N2)C1	REAL300030578414	1	50	0.0	-67.03	416.49	0.98	-66.05
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(C3CC[NH+](C)CC3)CC2)C1	REAL300030578427	0	56	0.0	-73.37	434.93	3.05	-70.32
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC3=C(C)[NH+]=CN3C=C2)C1	REAL300030578437	1	47	0.0	-71.02	393.33	3.05	-67.97
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CSCC[NH+](C)C)C1	REAL300030578449	0	49	0.0	-78.54	412.19	1.58	-76.96
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+]2CCCC2CO)C1	REAL300030578478	0	50	0.0	-69.62	400.21	-1.80	-71.42
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+]2CCCC2CO)C1	REAL300030578478	1	50	0.0	-70.19	399.95	-1.70	-71.89
CC[NH+](CC)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030578481	0	48	0.0	-68.61	381.11	1.00	-67.61
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+](C)C2CCSC2)C1	REAL300030578492	0	50	0.0	-75.28	406.06	1.87	-73.41
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+](C)C2CCSC2)C1	REAL300030578492	1	50	0.0	-71.56	406.20	1.73	-69.83
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCC2)C1	REAL300030578494	1	43	0.0	-73.20	355.66	-0.20	-73.40
CC[NH+](CC)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030578554	0	51	0.0	-72.53	398.94	1.25	-71.28
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCC(C(N)=O)CC2)C1	REAL300030578579	0	53	0.0	-85.11	423.20	-1.85	-86.96
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(C[NH+](C)C)=CN2)C1	REAL300030578633	0	50	0.0	-68.76	408.59	0.73	-68.03
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)[NH+]2CCC(O)CC2)C1	REAL300030578655	0	53	0.0	-65.17	410.06	-1.87	-67.04
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300030578663	0	51	0.0	-76.01	403.37	-0.35	-76.36
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC3COCC[N@H+]3C2)C1	REAL300030578663	1	51	0.0	-75.98	401.27	-0.41	-76.39
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)[NH+]2CCC2)C1	REAL300030578682	1	46	0.0	-65.38	370.82	0.19	-65.19
CCC(CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1)C[NH+](C)C	REAL300030578693	0	54	0.0	-75.30	416.90	2.13	-73.17
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=CC2=CC=C(N)[NH+]=C2)C1	REAL300030578701	0	46	0.0	-77.30	392.51	-0.16	-77.46
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(C)(C)C[NH+](C)C)C1	REAL300030578702	0	51	0.0	-65.43	389.67	0.82	-64.61
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1	REAL300030578776	0	49	0.0	-69.62	387.09	0.92	-68.70
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)[C@H]2CCCC[N@H+]2C)C1	REAL300030578776	1	49	0.0	-68.18	375.51	0.80	-67.38
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[N@@H+]3CCN2CC3C)C1	REAL300030578793	0	52	0.0	-75.14	393.54	-1.62	-76.76
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[N@H+]3CCN2CC3C)C1	REAL300030578793	1	52	0.0	-79.29	396.66	-1.81	-81.10
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC(O)C[NH+](C)C)C1	REAL300030578823	0	49	0.0	-77.58	398.38	-1.33	-78.91
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC3CCC(C2)[NH+]3C)C1	REAL300030578826	0	53	0.0	-73.06	381.95	1.74	-71.32
C=CCC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1)[NH+](C)C	REAL300030578875	0	49	0.0	-66.25	388.49	1.14	-65.11
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300030578887	0	53	0.0	-72.67	410.85	2.01	-70.66
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300030578887	1	53	0.0	-71.16	411.66	2.04	-69.12
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2(C)CC[NH+](C)CC2)C1	REAL300030578901	0	52	0.0	-68.22	395.64	1.20	-67.02
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2(O)CC[NH+](C)CC2)C1	REAL300030578906	0	53	0.0	-75.99	416.34	-0.27	-76.26
COCC[N@@H+]1CCCC1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030578922	0	56	0.0	-73.70	435.04	0.70	-73.00
COCC[N@H+]1CCCC1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(OC)C1	REAL300030578922	1	56	0.0	-63.62	444.49	0.96	-62.66
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2CC3CCC(C2)[NH+]3C)C1	REAL300030578936	0	56	0.0	-75.36	410.53	2.06	-73.30
COC1(CNC(=O)C2=CC=NN2CC[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030578976	0	52	0.0	-74.52	413.96	1.31	-73.21
COC1(CNC(=O)C2(C3CC[NH+](C)CC3)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030579023	0	56	0.0	-66.55	432.11	3.18	-63.37
COC1(CNC(=O)C2=CC3=C(C)[NH+]=CN3C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030579035	1	47	0.0	-75.55	395.89	3.34	-72.21
COC1(CNC(=O)CSCC[NH+](C)C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030579046	0	49	0.0	-74.94	411.67	1.40	-73.54
COC1(CNC(=O)C2CC3COCC[N@@H+]3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030579058	0	51	0.0	-70.59	401.78	-0.29	-70.88
COC1(CNC(=O)C2CC3COCC[N@H+]3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030579058	1	51	0.0	-70.53	401.85	-0.39	-70.92
C[N@@H+]1CCCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030579222	0	49	0.0	-68.46	367.32	4.24	-64.22
C[N@H+]1CCCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030579222	1	49	0.0	-64.20	366.65	4.52	-59.68
C[N@@H+]1CCOC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030579246	1	50	0.0	-79.23	375.24	3.26	-75.97
C[N@H+]1CCOC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030579246	1	50	0.0	-90.36	376.61	3.56	-86.80
CC(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)[NH+]1CCCCCC1	REAL300030579417	0	58	0.0	-64.34	411.65	6.08	-58.26
CC(C)[N@@H+]1CCCCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030579419	0	58	0.0	-64.28	414.36	6.09	-58.19
CC(C)[N@H+]1CCCCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030579419	1	58	0.0	-70.63	406.56	5.25	-65.38
CC(C)[N@@H+]1CCCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030579440	0	55	0.0	-61.88	388.19	5.69	-56.19
CC(C)[N@H+]1CCCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030579440	1	55	0.0	-67.43	397.82	5.20	-62.23
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CC4CCCC[N@@H+]4C3)C[C@@H]2C1	REAL300030579457	0	56	0.0	-76.63	408.73	6.12	-70.51
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CC4CCCC[N@H+]4C3)C[C@@H]2C1	REAL300030579457	1	56	0.0	-77.65	408.93	6.16	-71.49
CC(C)C1=[NH+]C=CN1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030579479	1	53	0.0	-68.88	408.86	5.82	-63.06
CC1=[NH+]C=CN1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030579513	1	47	0.0	-69.60	372.64	4.70	-64.90
CC(C[NH+]1CCOCC1)C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030579515	0	56	0.0	-76.91	409.46	3.52	-73.39
O=C(CCC[NH+]1CCCCC1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030579532	0	58	0.0	-70.21	427.66	6.74	-63.47
CC(C)(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)[NH+]1CCCCC1	REAL300030579551	0	58	0.0	-72.77	404.40	5.61	-67.16
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3C[NH+]4CCC3CC4)C[C@@H]2C1	REAL300030579561	0	53	0.0	-85.07	379.56	4.84	-80.23
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CCCC4CCC[N@@H+]43)C[C@@H]2C1	REAL300030579607	0	56	0.0	-70.37	394.04	5.34	-65.03
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CCCC4CCC[N@H+]43)C[C@@H]2C1	REAL300030579607	1	56	0.0	-62.62	405.77	6.14	-56.48
C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)CC[N@@H+]1C	REAL300030579623	0	52	0.0	-75.43	379.41	5.01	-70.42
C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)CC[N@H+]1C	REAL300030579623	1	52	0.0	-78.97	383.96	4.67	-74.30
CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)CC[N@@H+]1C	REAL300030579628	0	55	0.0	-75.00	396.60	5.18	-69.82
CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)CC[N@H+]1C	REAL300030579628	1	55	0.0	-76.61	401.22	5.14	-71.47
CC[N@@H+]1CCOC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030579643	1	53	0.0	-81.64	393.79	4.22	-77.42
CC[N@H+]1CCOC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030579643	1	53	0.0	-86.72	395.33	4.64	-82.08
CC[NH+](CC)CC(F)C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030579689	0	54	0.0	-71.49	398.79	4.89	-66.60
CC1CCC(C)[NH+]1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030579762	0	55	0.0	-67.94	398.30	5.19	-62.75
O=C(CCC[NH+]1CCCC1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030579768	0	55	0.0	-73.17	410.44	5.82	-67.35
C[NH+](C)CC1=CC=CC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)=C1	REAL300030579769	0	55	0.0	-73.02	419.46	6.60	-66.42
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)CC1	REAL300030579774	0	54	0.0	-80.17	412.57	6.10	-74.07
O=C(CC[NH+]1CCCCC1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030579775	0	55	0.0	-69.48	407.95	6.13	-63.35
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030579778	0	55	0.0	-75.40	418.62	6.84	-68.56
CC[N@@H+]1CCCCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030579782	0	55	0.0	-63.33	391.10	5.40	-57.93
CC[N@H+]1CCCCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030579782	1	55	0.0	-65.66	388.83	5.20	-60.46
C[NH+](C)C(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)C1=CC=CC=C1	REAL300030579785	1	55	0.0	-64.97	410.37	6.55	-58.42
CC(C)C[N@@H+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030579802	0	58	0.0	-70.92	425.46	6.42	-64.50
CC(C)C[N@H+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030579802	1	58	0.0	-64.33	425.43	6.23	-58.10
C[NH+](C)C1(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)CCC1	REAL300030579806	0	52	0.0	-81.15	371.68	4.31	-76.84
CC(C)[N@@H+]1CCCC1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030579808	0	58	0.0	-57.09	411.57	6.05	-51.04
CC(C)[N@H+]1CCCC1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030579808	1	58	0.0	-68.24	421.71	6.14	-62.10
CC(C)[C@@H](C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)[NH+](C)C	REAL300030579823	0	54	0.0	-69.04	382.97	4.86	-64.18
C[N@H+](CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)C1CCC1	REAL300030579872	0	52	0.0	-68.60	389.09	5.27	-63.33
C[N@@H+](CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)C1CCC1	REAL300030579872	1	52	0.0	-66.95	388.49	5.45	-61.50
CC(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)[NH+]1C(C)CCC1C	REAL300030579936	0	58	0.0	-64.23	400.13	5.19	-59.04
CN(CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)C1=CC=[NH+]C=C1	REAL300030579992	0	54	0.0	-63.22	417.09	5.15	-58.07
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030580000	1	51	0.0	-72.18	387.38	5.11	-67.07
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030580000	1	51	0.0	-67.41	394.82	5.68	-61.73
C[N@@H+]1CCCC1CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030580006	0	55	0.0	-67.64	405.78	5.73	-61.91
C[N@H+]1CCCC1CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030580006	1	55	0.0	-78.05	406.79	5.50	-72.55
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1	REAL300030580017	0	56	0.0	-72.17	392.03	5.40	-66.77
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CCC4CCCC[N@@H+]43)C[C@@H]2C1	REAL300030580024	0	56	0.0	-66.39	406.48	6.10	-60.29
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CCC4CCCC[N@H+]43)C[C@@H]2C1	REAL300030580024	1	56	0.0	-66.62	402.36	5.78	-60.84
O=C(CCCC[NH+]1CCCC1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030580044	0	58	0.0	-71.73	433.83	6.81	-64.92
C[N@H+](CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)CC1=CC=CC=C1	REAL300030580046	1	55	0.0	-71.14	420.43	7.24	-63.90
C[N@@H+](CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)CC1=CC=CC=C1	REAL300030580046	1	55	0.0	-78.71	419.92	6.68	-72.03
C[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)CC1	REAL300030580057	0	52	0.0	-71.34	386.73	4.90	-66.44
C[NH+](C)CC1=CC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)=NO1	REAL300030580098	1	51	0.0	-75.60	398.74	4.84	-70.76
CC1=C(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C=CC2=C[NH+]=CN21	REAL300030580099	0	50	0.0	-81.53	394.55	7.12	-74.41
C[N@@H+]1CCCCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030580131	0	52	0.0	-61.87	373.37	4.68	-57.19
C[N@H+]1CCCCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030580131	1	52	0.0	-66.89	370.90	4.56	-62.33
CC(C)C[N@@H+]1CCCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030580154	0	58	0.0	-69.20	423.90	6.29	-62.91
CC(C)C[N@H+]1CCCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030580154	1	58	0.0	-67.49	416.08	6.39	-61.10
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)C[C@@H]2C1	REAL300030580259	0	47	0.0	-71.60	377.14	6.73	-64.87
CC1=[NH+]C=CN1CCCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030580268	1	53	0.0	-69.45	413.17	6.30	-63.15
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C=C1	REAL300030580273	0	55	0.0	-73.90	420.74	6.55	-67.35
O=C(CC[NH+]1CCOCC1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030580274	1	53	0.0	-73.64	397.76	3.52	-70.12
CC1=C[NH+]=CN1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030580305	1	47	0.0	-74.41	372.98	5.43	-68.98
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030580311	1	54	0.0	-74.31	414.77	7.15	-67.16
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1	REAL300030580347	0	53	0.0	-68.35	379.27	4.66	-63.69
C[NH+](C)C1CCCC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030580376	0	58	0.0	-69.37	410.48	5.45	-63.92
C[N@@H+]1CCC(CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030580379	0	52	0.0	-74.04	388.91	5.14	-68.90
C[N@H+]1CCC(CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030580379	1	52	0.0	-77.59	389.85	4.75	-72.84
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030580391	0	51	0.0	-83.86	395.09	3.10	-80.76
CCC(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)[NH+](C)C	REAL300030580396	0	51	0.0	-71.69	368.80	4.15	-67.54
C[NH+](C)C1(CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)CCCC1	REAL300030580410	0	58	0.0	-78.54	407.00	5.57	-72.97
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)C[C@@H]2C1	REAL300030580454	1	47	0.0	-72.10	372.08	6.54	-65.56
C[NH+](C)CCCCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030580512	0	54	0.0	-73.14	407.86	5.64	-67.50
CC(C)C(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)[NH+](C)C	REAL300030580532	0	54	0.0	-66.38	386.46	4.86	-61.52
CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030580534	0	54	0.0	-71.47	404.09	5.48	-65.99
CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030580534	1	54	0.0	-71.20	404.09	5.47	-65.73
CCC[N@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030580540	0	51	0.0	-73.89	382.44	4.49	-69.40
CCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030580540	1	51	0.0	-67.45	383.00	5.06	-62.39
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C34CC[N@H+](C3)CCC4)C[C@@H]2C1	REAL300030580564	0	53	0.0	-75.43	375.90	3.94	-71.49
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C34CC[N@@H+](C3)CCC4)C[C@@H]2C1	REAL300030580564	1	53	0.0	-65.06	375.10	4.08	-60.98
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030580604	0	49	0.0	-63.06	361.80	4.14	-58.92
C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030580604	1	49	0.0	-64.27	366.51	4.52	-59.75
CCCCCC[N@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030580664	0	60	0.0	-75.07	446.94	6.83	-68.24
CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030580664	1	60	0.0	-75.18	446.93	6.83	-68.35
CC[NH+](CC)C(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)C(C)C	REAL300030580669	0	60	0.0	-70.43	409.51	5.77	-64.66
CC[NH+](CC)CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030580678	0	51	0.0	-71.62	379.09	4.44	-67.18
CCC[N@@H+]1CCCC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030580710	0	58	0.0	-68.29	427.45	6.59	-61.70
CCC[N@H+]1CCCC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030580710	1	58	0.0	-66.32	415.23	6.05	-60.27
CC(C)[N@@H+]1CCOC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030580727	1	56	0.0	-79.69	410.96	4.72	-74.97
CC(C)[N@H+]1CCOC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030580727	1	56	0.0	-64.86	395.83	4.38	-60.48
CC1CC[NH+](CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)CC1	REAL300030580759	0	55	0.0	-67.66	406.47	6.13	-61.53
C[NH+]1CCC(OCC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)CC1	REAL300030580787	0	56	0.0	-80.38	422.86	5.47	-74.91
C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)CC1	REAL300030580801	0	52	0.0	-67.32	391.20	4.62	-62.70
CC1=[NH+]C=C2CCC(C(=O)N3CC[C@H]4CN(C(=O)C5=CC(=O)[N-]O5)C[C@H]4C3)CN21	REAL300030580802	1	54	0.0	-70.56	411.08	5.92	-64.64
CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)CC1	REAL300030580877	0	58	0.0	-74.83	415.86	5.95	-68.88
C[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)CC1	REAL300030580898	0	52	0.0	-71.34	386.73	4.90	-66.44
CC(C)[C@H](C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)[NH+](C)C	REAL300030580916	0	54	0.0	-66.35	385.83	4.81	-61.54
CCC(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)[NH+](CC)CC	REAL300030580947	0	57	0.0	-61.95	403.98	5.75	-56.20
CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030581009	0	51	0.0	-70.81	382.59	4.73	-66.08
CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030581009	1	51	0.0	-70.57	382.59	4.73	-65.84
CC1CCC[N@@H+]1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030581065	0	52	0.0	-71.11	388.51	4.89	-66.22
CC1CCC[N@H+]1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030581065	1	52	0.0	-68.81	387.18	5.03	-63.78
CC1CC[N@H+](CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030581067	0	52	0.0	-66.78	389.04	5.40	-61.38
CC1CC[N@@H+](CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030581067	1	52	0.0	-69.35	388.43	5.16	-64.19
CC1=[NH+]C=C2CC(C(=O)N3CC[C@H]4CN(C(=O)C5=CC(=O)[N-]O5)C[C@H]4C3)CCN21	REAL300030581069	1	54	0.0	-72.20	410.40	5.88	-66.32
CC1(C)CC[N@H+](CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030581072	0	55	0.0	-69.05	407.99	5.67	-63.38
CC1(C)CC[N@@H+](CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030581072	1	55	0.0	-70.99	407.69	5.57	-65.42
C[N@H+](CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)CC(C)(C)C	REAL300030581073	0	57	0.0	-73.77	411.04	5.51	-68.26
C[N@@H+](CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)CC(C)(C)C	REAL300030581073	1	57	0.0	-74.02	413.34	5.68	-68.34
CC[C@@H](C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)[NH+](C)C	REAL300030581082	0	51	0.0	-71.46	369.34	4.22	-67.24
C[NH+]1CCC(O)(CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)CC1	REAL300030581261	0	56	0.0	-68.64	412.74	3.82	-64.82
C[NH+](C)CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030581273	0	45	0.0	-74.40	343.21	3.08	-71.32
O=C(C[NH+]1CCC(CO)CC1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030581277	0	56	0.0	-72.80	416.29	2.45	-70.35
O=C(C[NH+]1CCCCCC1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030581279	0	55	0.0	-64.84	394.59	5.72	-59.12
CN1C=C[N+](CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)=C1	REAL300030581283	0	47	0.0	-63.03	375.01	7.16	-55.87
C[N@@H+]1CCCC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030581290	0	52	0.0	-79.34	378.93	5.06	-74.28
C[N@H+]1CCCC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030581290	1	52	0.0	-77.68	386.96	4.89	-72.79
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CCC[N@@H+]3C3CC3)C[C@@H]2C1	REAL300030581295	0	53	0.0	-77.09	390.96	5.20	-71.89
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CCC[N@H+]3C3CC3)C[C@@H]2C1	REAL300030581295	1	53	0.0	-67.19	392.19	5.49	-61.70
CC(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)[NH+]1CCC1	REAL300030581324	1	49	0.0	-70.04	370.91	4.47	-65.57
CCC(CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)C[NH+](C)C	REAL300030581330	0	57	0.0	-77.01	414.80	5.62	-71.39
C[NH+](C)CC(C)(C)C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030581337	0	54	0.0	-71.35	381.05	4.65	-66.70
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)C[C@@H]2C1	REAL300030581355	0	54	0.0	-72.22	404.10	6.13	-66.09
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C34CC(C3)C[N@H+]4C3CC3)C[C@@H]2C1	REAL300030581355	1	54	0.0	-67.14	393.25	5.64	-61.50
O=C(C[NH+]1CCC(O)CC1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030581366	1	53	0.0	-75.98	395.69	1.79	-74.19
C[N@H+](CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)C1CC1	REAL300030581367	0	49	0.0	-70.49	372.49	4.49	-66.00
C[N@@H+](CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)C1CC1	REAL300030581367	1	49	0.0	-71.67	372.61	4.49	-67.18
CC(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)N1CC[NH+](C)CC1	REAL300030581368	1	57	0.0	-76.74	418.27	3.19	-73.55
C[NH+]1CC(CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030581387	0	49	0.0	-71.54	374.10	4.08	-67.46
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CC[N@@H+]3C3CCCC3)C[C@@H]2C1	REAL300030581391	0	56	0.0	-74.41	414.43	6.18	-68.23
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CC[N@H+]3C3CCCC3)C[C@@H]2C1	REAL300030581391	1	56	0.0	-68.05	413.92	6.41	-61.64
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030581399	0	55	0.0	-68.49	404.29	4.96	-63.53
CC(C)(C)[N@H+]1CCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030581399	1	55	0.0	-67.57	404.79	5.34	-62.23
C[C@@H](C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)[NH+](C)C	REAL300030581410	0	48	0.0	-70.65	358.41	3.63	-67.02
CCC1CCC[N@H+](CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030581452	0	58	0.0	-71.73	416.14	6.42	-65.31
CCC1CCC[N@@H+](CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030581452	1	58	0.0	-74.26	424.13	6.21	-68.05
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)N1	REAL300030581460	0	53	0.0	-82.67	405.19	4.93	-77.74
[NH2+]=C1SC=CN1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030581505	0	45	0.0	-68.44	370.28	3.27	-65.17
C[N@H+](CCO)CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030581515	0	52	0.0	-69.60	392.94	1.52	-68.08
C[N@@H+](CCO)CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030581515	1	52	0.0	-73.55	393.35	1.33	-72.22
C[C@@H](C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)[NH+](C)C	REAL300030581516	0	48	0.0	-70.65	358.41	3.63	-67.02
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030581520	0	52	0.0	-64.18	373.28	4.82	-59.36
C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030581520	1	52	0.0	-61.18	384.61	5.25	-55.93
CC1CN2CC[N@@H+]1CC2C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030581529	0	55	0.0	-83.17	391.77	1.94	-81.23
CC1CN2CC[N@H+]1CC2C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030581529	1	55	0.0	-72.40	390.75	1.85	-70.55
O=C(CC1=CC2=C[NH+]=CN2C=C1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030581575	0	50	0.0	-73.09	397.62	7.32	-65.77
C[N@H+](CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)C1CCSC1	REAL300030581600	0	53	0.0	-78.65	402.56	5.33	-73.32
C[N@@H+](CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)C1CCSC1	REAL300030581600	1	53	0.0	-79.06	402.44	5.33	-73.73
O=C(C[NH+]1CCC1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030581601	1	46	0.0	-74.09	353.31	3.51	-70.58
C[NH+](C)CC1=CC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)=CC=N1	REAL300030581631	1	54	0.0	-87.41	412.70	4.67	-82.74
C[N@@H+]1CCC(=CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030581633	0	50	0.0	-79.21	381.33	4.62	-74.59
C[N@H+]1CCC(=CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030581633	1	50	0.0	-75.17	378.09	4.58	-70.59
C[NH+](C)CCOCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030581667	0	52	0.0	-73.69	399.05	4.21	-69.48
CCCCC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030581673	0	60	0.0	-72.35	447.09	7.04	-65.31
CCCCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030581673	1	60	0.0	-72.14	447.09	7.03	-65.11
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)O1	REAL300030581682	0	56	0.0	-72.13	419.07	5.53	-66.60
C=CCC(C)(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)[NH+](C)C	REAL300030581689	0	55	0.0	-61.63	388.15	5.10	-56.53
C[S+](C)CCC(O)C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030581694	0	51	0.0	-86.24	402.90	2.77	-83.47
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030581721	0	53	0.0	-63.94	382.85	1.00	-62.94
CN1CC[N@H+](C)CC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030581733	0	57	0.0	-73.62	413.39	3.00	-70.62
CN1CC[N@@H+](C)CC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030581733	1	57	0.0	-73.62	413.39	3.00	-70.62
CC(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)[N@@H+]1CCCC(O)C1	REAL300030581734	0	56	0.0	-62.87	408.59	2.12	-60.75
C[N@@H+]1CCCC(O)(CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030581753	0	56	0.0	-69.05	401.56	4.00	-65.05
C[N@H+]1CCCC(O)(CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030581753	1	56	0.0	-69.05	401.56	4.00	-65.05
CC1CN(CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030581756	0	49	0.0	-68.99	373.88	4.80	-64.19
CC1C[NH+](CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030581756	1	49	0.0	-68.99	373.88	4.80	-64.19
CN(CCO)CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030581783	0	49	0.0	-75.47	371.29	0.51	-74.96
C[N@H+](CCO)CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030581783	1	49	0.0	-73.90	371.07	0.53	-73.37
C[N@@H+](CCO)CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030581783	1	49	0.0	-73.90	371.07	0.53	-73.37
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3C[N@@H+]4CCN3CCC4)C[C@@H]2C1	REAL300030581806	0	55	0.0	-85.04	388.90	2.49	-82.55
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3C[N@H+]4CCN3CCC4)C[C@@H]2C1	REAL300030581806	1	55	0.0	-85.04	388.90	2.49	-82.55
CC[N@@H+]1CCCC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030581812	0	55	0.0	-63.32	396.69	5.92	-57.40
CC[N@H+]1CCCC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030581812	1	55	0.0	-63.32	396.69	5.92	-57.40
CC(CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)C[NH+](C)C	REAL300030581814	0	54	0.0	-76.64	400.40	5.14	-71.50
CC[N@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030581827	0	48	0.0	-73.74	360.94	3.75	-69.99
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C34CCC[N@@H+]3CCCC4)C[C@@H]2C1	REAL300030581855	0	56	0.0	-66.96	390.29	5.01	-61.95
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C34CCC[N@H+]3CCCC4)C[C@@H]2C1	REAL300030581855	1	56	0.0	-67.96	388.74	4.96	-63.00
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C34CCC[N@@H+]3CC=CC4)C[C@@H]2C1	REAL300030581862	0	54	0.0	-63.62	384.96	5.25	-58.37
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C34CCC[N@H+]3CC=CC4)C[C@@H]2C1	REAL300030581862	1	54	0.0	-68.76	384.12	4.60	-64.16
CC[N@H+](CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)C1CC1	REAL300030581883	0	52	0.0	-67.51	391.55	5.31	-62.20
CC[N@@H+](CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)C1CC1	REAL300030581883	1	52	0.0	-71.01	389.29	5.12	-65.89
CC[NH+](CC)CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030581901	0	54	0.0	-69.81	396.10	5.16	-64.65
C[NH+]1CCC(=CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)CC1	REAL300030581913	0	53	0.0	-68.91	395.34	5.78	-63.13
CC1(C)C[NH+](CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030581926	1	52	0.0	-68.04	394.54	5.28	-62.76
CC1(O)CC[N@H+](CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030581954	0	53	0.0	-67.00	399.91	2.05	-64.95
CC1(O)CC[N@@H+](CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030581954	1	53	0.0	-67.83	398.86	1.81	-66.02
C[NH+](C)CC=CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030581961	0	49	0.0	-67.49	379.03	4.52	-62.97
CC(OCC[NH+](C)C)C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030581983	0	55	0.0	-64.46	414.45	4.92	-59.54
C[NH+](C)CCOCCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030581992	0	55	0.0	-72.51	419.19	4.28	-68.23
COCC[N@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030581993	1	52	0.0	-73.45	393.32	2.92	-70.53
COCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030581993	1	52	0.0	-75.73	393.54	2.92	-72.81
C[NH+](C)C1(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)CCCC1	REAL300030582029	0	55	0.0	-57.91	381.08	4.53	-53.38
CC(CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)[NH+](C)C	REAL300030582032	0	54	0.0	-71.35	400.30	5.08	-66.27
CC[N@@H+]1CCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582041	1	49	0.0	-73.82	373.17	3.97	-69.85
CC[N@H+]1CCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582041	1	49	0.0	-70.54	366.80	3.96	-66.58
CC(C)[N@@H+]1CCCC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030582051	0	58	0.0	-59.33	411.32	6.15	-53.18
CC(C)[N@H+]1CCCC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030582051	1	58	0.0	-68.52	419.22	6.12	-62.40
O=C(C[N@H+]1CCCC1CO)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582064	0	53	0.0	-70.82	397.68	1.82	-69.00
O=C(C[N@@H+]1CCCC1CO)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582064	1	53	0.0	-62.58	389.88	2.21	-60.37
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CC4CCCC[N@@H+]4C3)C[C@@H]2C1	REAL300030582086	0	56	0.0	-76.63	408.73	6.12	-70.51
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CC4CCCC[N@H+]4C3)C[C@@H]2C1	REAL300030582086	1	56	0.0	-77.65	408.93	6.16	-71.49
C[NH+]1CCC(C)(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)CC1	REAL300030582092	0	55	0.0	-77.77	390.35	4.82	-72.95
C[NH+](C)CC1=CNC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)=C1	REAL300030582098	0	53	0.0	-76.62	404.74	5.10	-71.52
CC(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)[NH+]1CCC(O)CC1	REAL300030582114	0	56	0.0	-72.16	412.14	2.13	-70.03
C=CCC(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)[NH+](C)C	REAL300030582122	0	52	0.0	-68.82	381.53	4.71	-64.11
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582135	0	55	0.0	-71.14	402.38	5.29	-65.85
C[N@H+]1CC(C)(C)CC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582135	1	55	0.0	-67.25	404.82	5.30	-61.95
C[NH+](C)CCCCCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582139	0	57	0.0	-73.22	429.36	6.41	-66.81
O=C(C[NH+]1CC2CC2C1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582147	0	50	0.0	-67.79	377.69	5.32	-62.47
CC1C[N@@H+]2CCN1C(C(=O)N1CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C1)C2	REAL300030582174	0	55	0.0	-72.18	385.02	4.16	-68.02
CC1C[N@H+]2CCN1C(C(=O)N1CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C1)C2	REAL300030582174	1	55	0.0	-74.94	389.34	1.98	-72.96
CCCC(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)[NH+](C)C	REAL300030582175	0	54	0.0	-71.38	391.98	5.02	-66.36
C[NH+](C)C(C)(C)C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582179	0	51	0.0	-77.10	360.26	4.49	-72.61
C[N@@H+]1CCCCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582221	0	52	0.0	-61.87	373.37	4.68	-57.19
C[N@H+]1CCCCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582221	1	52	0.0	-66.89	370.90	4.56	-62.33
C[N@H+]1CC=C(CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)CC1	REAL300030582261	0	53	0.0	-70.58	402.00	5.66	-64.92
C[N@@H+]1CC=C(CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)CC1	REAL300030582261	1	53	0.0	-68.19	401.99	5.65	-62.54
O=C(CC1([NH+]2CCCC2)CC1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582270	0	56	0.0	-66.43	410.06	6.40	-60.03
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)O1	REAL300030582319	1	52	0.0	-77.14	403.94	5.21	-71.93
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C=N1	REAL300030582324	0	54	0.0	-79.95	417.43	5.04	-74.91
O=C(C=CC[NH+]1CCCC1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582336	0	53	0.0	-64.10	403.75	6.01	-58.09
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CC[NH+](C4CC4)CC3)C[C@@H]2C1	REAL300030582360	0	56	0.0	-74.88	416.68	6.32	-68.56
C[NH+](C)C1(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)CC1	REAL300030582381	0	49	0.0	-77.30	363.27	3.75	-73.55
O=C(CC[NH+]1CCCC1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582383	0	52	0.0	-69.90	392.24	5.42	-64.48
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3C[NH+]4CCN3CC4)C[C@@H]2C1	REAL300030582421	0	52	0.0	-84.14	376.94	1.76	-82.38
C[N@@H+]1CC2CC1(C(=O)N1CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C1)C2	REAL300030582431	0	50	0.0	-71.84	369.61	4.37	-67.47
C[N@H+]1CC2CC1(C(=O)N1CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C1)C2	REAL300030582431	1	50	0.0	-78.00	370.78	4.79	-73.21
O=C(C[N@@H+]1CC2CCC1C2)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582445	0	53	0.0	-69.16	389.48	5.38	-63.78
O=C(C[N@H+]1CC2CCC1C2)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582445	1	53	0.0	-66.73	390.49	5.76	-60.97
O=C(C=C1C[NH+]2CCC1CC2)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582486	0	54	0.0	-62.27	399.32	6.07	-56.20
O=C(C[N@@H+]1CC2C=CC1C2)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582496	1	51	0.0	-63.97	381.46	5.34	-58.63
O=C(C[N@H+]1CC2C=CC1C2)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582496	1	51	0.0	-66.29	383.24	5.62	-60.67
CC[NH+]1CCN(CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)CC1	REAL300030582528	0	57	0.0	-74.82	419.46	3.22	-71.60
CC(C[NH+](C)C)C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582548	0	51	0.0	-60.12	378.80	4.19	-55.93
C[N@@H+]1CCCCC1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582626	0	55	0.0	-67.19	393.98	5.46	-61.73
C[N@H+]1CCCCC1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582626	1	55	0.0	-76.92	402.03	5.51	-71.41
CC1=C2C=C(C(=O)N3CC[C@H]4CN(C(=O)C5=CC(=O)[N-]O5)C[C@H]4C3)C=CN2C=[NH+]1	REAL300030582642	1	50	0.0	-71.07	393.96	7.10	-63.97
CC(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)[NH+]1CC(C)C1	REAL300030582643	0	52	0.0	-68.94	393.20	4.86	-64.08
CC1CC[N@@H+]1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582646	1	49	0.0	-66.21	373.67	4.57	-61.64
CC1CC[N@H+]1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582646	1	49	0.0	-73.56	374.36	4.17	-69.39
C[NH+](C)CC(O)CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582651	0	52	0.0	-80.89	395.65	2.17	-78.72
CC1C[N@H+](C)CC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)O1	REAL300030582679	1	53	0.0	-91.24	396.44	4.07	-87.17
CC1C[N@@H+](C)CC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)O1	REAL300030582679	1	53	0.0	-91.87	389.13	3.66	-88.21
O=C(CC[NH+]1CCC(O)CC1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582688	0	56	0.0	-76.13	416.87	2.44	-73.69
CCC[N@@H+]1CCCCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582690	0	58	0.0	-66.85	411.52	5.70	-61.15
CCC[N@H+]1CCCCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582690	1	58	0.0	-71.44	410.18	5.71	-65.73
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030582769	0	52	0.0	-69.38	391.65	5.01	-64.37
CC(CC[NH+](C)C)C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582777	0	54	0.0	-68.02	400.74	4.80	-63.22
C[N@H+](CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)[C@@H]1CCC[C@H]1O	REAL300030582798	0	56	0.0	-65.59	413.38	2.69	-62.90
C[N@@H+](CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)[C@@H]1CCC[C@H]1O	REAL300030582798	1	56	0.0	-65.64	413.15	2.88	-62.76
C#CC[N@H+]1CCCCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582807	1	54	0.0	-66.30	396.27	5.72	-60.58
C#CC[N@@H+]1CCCCC1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582807	1	54	0.0	-61.06	407.47	5.78	-55.28
C[NH+]1CCN(CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)CC1	REAL300030582810	1	54	0.0	-76.07	402.19	2.58	-73.49
CC[NH+]1CCN(CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)CC1	REAL300030582819	0	57	0.0	-74.82	419.46	3.22	-71.60
NC(=[NH2+])SCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582845	0	43	0.0	-77.61	351.09	0.11	-77.50
CC[N@@H+]1CCOCC1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582882	0	56	0.0	-74.63	411.99	4.15	-70.48
C[NH+](C)C1CCC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)CC1	REAL300030582898	0	58	0.0	-78.71	419.60	6.13	-72.58
C[NH+](C)CCC1(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)CC1	REAL300030582899	0	55	0.0	-68.76	415.16	5.45	-63.31
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)CC1	REAL300030582901	0	58	0.0	-73.72	410.50	5.89	-67.83
C[N@@H+]1CC=CCC1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582902	0	53	0.0	-78.06	393.35	5.45	-72.61
C[N@H+]1CC=CCC1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582902	1	53	0.0	-78.06	393.35	5.45	-72.61
C[C@@H](OCC[NH+](C)C)C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582925	0	55	0.0	-64.46	414.44	4.92	-59.54
C[NH+]1C2CCC1CC(C(=O)N1CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C1)C2	REAL300030582953	0	56	0.0	-72.53	402.90	5.43	-67.10
CC(C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1)[NH+]1CCSCC1	REAL300030583063	1	53	0.0	-72.37	400.52	5.24	-67.13
CCC1C[NH+](CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030583065	0	52	0.0	-75.20	395.69	4.95	-70.25
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3([NH+]4CCCC4)CCC3)C[C@@H]2C1	REAL300030583067	0	56	0.0	-70.97	400.41	5.63	-65.34
C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030583076	1	49	0.0	-71.10	362.42	4.16	-66.94
O=C(CC[N@@H+]1CCC(F)C1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030583083	1	52	0.0	-73.86	396.42	5.24	-68.62
COC1C[N@@H+](C)C(C)(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C1	REAL300030583091	1	56	0.0	-69.26	403.54	2.74	-66.52
O=C(CC[NH+]1CCCCCC1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030583100	0	58	0.0	-73.04	417.96	6.32	-66.72
O=C(C[NH+]1CCCCC1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030583102	0	52	0.0	-71.19	384.67	5.15	-66.04
CC1C(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)CC[N@@H+]1C	REAL300030583112	0	52	0.0	-78.75	379.78	4.70	-74.05
CC1C(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)CC[N@H+]1C	REAL300030583112	1	52	0.0	-70.59	371.70	4.29	-66.30
C[N@@H+]1CCCCC1CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030583114	0	58	0.0	-69.70	417.91	6.43	-63.27
C[N@H+]1CCCCC1CCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030583114	1	58	0.0	-76.66	417.93	6.41	-70.25
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CC[N@@H+]4CCOCC34)C[C@@H]2C1	REAL300030583144	0	54	0.0	-70.75	398.58	3.80	-66.95
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CC[N@H+]4CCOCC34)C[C@@H]2C1	REAL300030583144	1	54	0.0	-71.78	393.17	3.58	-68.20
CC1=[NH+]C=C2C=CC(C(=O)N3CC[C@H]4CN(C(=O)C5=CC(=O)[N-]O5)C[C@H]4C3)=CN21	REAL300030583149	0	50	0.0	-67.42	399.35	6.44	-60.98
CN1CCOCC1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030583166	0	53	0.0	-64.56	383.89	2.68	-61.88
C[N@@H+]1CCOCC1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030583166	1	53	0.0	-78.75	392.79	3.20	-75.55
C[N@H+]1CCOCC1CC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030583166	1	53	0.0	-64.56	383.89	2.68	-61.88
CC1=C(C)[NH+]=C(CCC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)N1	REAL300030583174	1	53	0.0	-67.67	413.11	4.61	-63.06
C[N@H+]1CCCC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030583346	1	49	0.0	-61.09	364.11	3.89	-57.20
CN1CCOC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030583372	0	50	0.0	-62.71	376.14	3.85	-58.86
C[N@@H+]1CCOC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030583372	1	50	0.0	-63.75	368.63	3.65	-60.10
C[N@H+]1CCOC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030583372	1	50	0.0	-62.71	376.14	3.85	-58.86
CC1=[NH+]C=CN1CCCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030583534	1	53	0.0	-59.50	413.30	6.29	-53.21
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C=C1	REAL300030583539	0	55	0.0	-72.40	414.74	6.52	-65.88
O=C(CC[NH+]1CCOCC1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030583540	1	53	0.0	-60.44	399.23	3.72	-56.72
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2C1	REAL300030583565	0	53	0.0	-54.02	379.53	4.63	-49.39
O=C(C1=CC2=C[NH+]=CN2C=C1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030583575	1	47	0.0	-71.24	377.71	6.94	-64.30
C[NH+](C)C1CCCC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030583635	0	58	0.0	-59.73	412.05	6.16	-53.57
C[N@@H+]1CCC(CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030583638	0	52	0.0	-62.28	390.38	5.30	-56.98
C[N@H+]1CCC(CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030583638	1	52	0.0	-60.45	390.28	5.33	-55.12
CN(C)C1=CC=[NH+]C=C1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030583650	0	51	0.0	-66.72	391.17	3.16	-63.56
CCC(C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)[NH+](C)C	REAL300030583655	0	51	0.0	-62.80	367.48	4.11	-58.69
C[NH+](C)CCCCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030583722	0	54	0.0	-63.08	409.01	5.84	-57.24
CC(C)C(C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)[NH+](C)C	REAL300030583744	0	54	0.0	-56.31	387.20	5.10	-51.21
CCC[N@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030583746	0	54	0.0	-65.79	404.40	5.11	-60.68
CCC[N@@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030583746	1	54	0.0	-65.56	404.39	5.10	-60.46
CCC[N@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030583752	0	51	0.0	-63.58	381.83	4.92	-58.66
CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030583752	1	51	0.0	-63.74	381.85	4.90	-58.84
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C34CC[N@H+](C3)CCC4)C[C@H]2C1	REAL300030583776	0	53	0.0	-72.92	373.96	4.34	-68.58
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C34CC[N@@H+](C3)CCC4)C[C@H]2C1	REAL300030583776	1	53	0.0	-76.35	375.35	4.40	-71.95
CCCCCC[N@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030583812	0	60	0.0	-64.63	446.35	7.25	-57.38
CCCCCC[N@@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030583812	1	60	0.0	-57.39	447.64	7.37	-50.02
CC[NH+](CC)C(C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)C(C)C	REAL300030583817	0	60	0.0	-60.30	408.75	5.26	-55.04
CC1CC[NH+](CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)CC1	REAL300030583850	0	55	0.0	-55.78	406.28	6.08	-49.70
C[NH+]1CCC(OCC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)CC1	REAL300030583878	0	56	0.0	-66.12	423.67	5.84	-60.28
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CC4CCCC[N@@H+]4C3)C[C@H]2C1	REAL300030583923	0	56	0.0	-62.32	407.07	5.65	-56.67
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CC4CCCC[N@H+]4C3)C[C@H]2C1	REAL300030583923	1	56	0.0	-60.92	405.92	5.68	-55.24
C[NH+](C)CC1(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)CC1	REAL300030583934	0	52	0.0	-71.98	388.24	5.03	-66.95
CC1=[NH+]C=C2CCC(C(=O)N3C[C@@H]4CCN(C(=O)C5=CC(=O)[N-]O5)C[C@@H]4C3)CN21	REAL300030583935	1	54	0.0	-71.19	411.01	5.72	-65.47
CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)CC1	REAL300030583946	0	58	0.0	-65.27	417.53	5.68	-59.59
CC[N@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030583971	0	51	0.0	-65.21	382.91	4.36	-60.85
CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030583971	1	51	0.0	-58.34	384.06	4.94	-53.40
CC(C)(C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)[NH+]1CCCCC1	REAL300030583997	0	58	0.0	-52.21	403.44	5.67	-46.54
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3C[NH+]4CCC3CC4)C[C@H]2C1	REAL300030584007	0	53	0.0	-73.82	379.17	4.70	-69.12
C[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)CC1	REAL300030584087	0	52	0.0	-68.08	383.11	4.49	-63.59
CC(C)[C@H](C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)[NH+](C)C	REAL300030584105	0	54	0.0	-52.86	386.55	5.10	-47.76
CC[NH+](CC)CC(F)C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030584200	0	54	0.0	-68.93	404.50	5.52	-63.41
CC(C)C[N@@H+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030584235	0	58	0.0	-63.06	425.03	6.05	-57.01
CC(C)C[N@H+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030584235	1	58	0.0	-63.61	425.00	5.96	-57.65
C[NH+](C)C1(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)CCC1	REAL300030584239	0	52	0.0	-49.69	366.06	4.46	-45.23
CCC(C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)[NH+](CC)CC	REAL300030584270	0	57	0.0	-57.20	406.93	5.40	-51.80
CC1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030584290	0	52	0.0	-60.92	381.64	4.48	-56.44
CC1CCC[N@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030584290	1	52	0.0	-53.65	380.62	4.59	-49.06
CC(C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)[NH+]1CCCCCC1	REAL300030584360	0	58	0.0	-60.04	410.71	5.84	-54.20
CC(C)[N@@H+]1CCCCC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030584362	0	58	0.0	-58.99	404.95	5.76	-53.23
CC(C)[N@H+]1CCCCC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030584362	1	58	0.0	-56.43	414.91	5.61	-50.82
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030584383	0	55	0.0	-58.74	388.72	5.26	-53.48
CC(C)[N@H+]1CCCC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030584383	1	55	0.0	-61.38	393.65	5.58	-55.80
CC(C)[N@@H+]1CCCC1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030584389	0	58	0.0	-55.44	415.01	5.77	-49.67
CC(C)[N@H+]1CCCC1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030584389	1	58	0.0	-57.01	413.31	5.71	-51.30
CC(C)[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)[NH+](C)C	REAL300030584404	0	54	0.0	-56.74	383.53	5.00	-51.74
CC1CC[N@H+](CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030584425	0	52	0.0	-63.19	389.36	4.75	-58.44
CC1CC[N@@H+](CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030584425	1	52	0.0	-55.22	389.28	5.36	-49.86
CC1=[NH+]C=C2CC(C(=O)N3C[C@@H]4CCN(C(=O)C5=CC(=O)[N-]O5)C[C@@H]4C3)CCN21	REAL300030584427	1	54	0.0	-59.53	412.01	5.75	-53.78
CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030584430	0	55	0.0	-62.66	408.19	5.36	-57.30
CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030584430	1	55	0.0	-54.99	408.82	5.89	-49.10
C[N@H+](CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)CC(C)(C)C	REAL300030584431	0	57	0.0	-54.14	410.72	6.02	-48.12
C[N@@H+](CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)CC(C)(C)C	REAL300030584431	1	57	0.0	-55.83	413.53	6.11	-49.72
CC[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)[NH+](C)C	REAL300030584440	0	51	0.0	-63.22	373.82	4.23	-58.99
CN(CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)C1=CC=[NH+]C=C1	REAL300030584567	0	54	0.0	-56.14	418.69	5.38	-50.76
CC1=[NH+]C=CN1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030584651	1	47	0.0	-60.75	371.90	5.12	-55.63
CC(C[NH+]1CCOCC1)C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030584653	0	56	0.0	-61.11	409.35	3.66	-57.45
O=C(CCC[NH+]1CCCCC1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030584670	0	58	0.0	-61.16	427.83	6.61	-54.55
C[NH+](C)CC1=CC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)=NO1	REAL300030584688	1	51	0.0	-73.53	397.70	4.61	-68.92
CC1=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C=CC2=C[NH+]=CN21	REAL300030584689	0	50	0.0	-73.17	393.37	6.96	-66.21
CC(C)C1=[NH+]C=CN1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030584724	1	53	0.0	-59.81	408.25	6.26	-53.55
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CCCC4CCC[N@@H+]43)C[C@H]2C1	REAL300030584760	0	56	0.0	-50.18	405.98	6.18	-44.00
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CCCC4CCC[N@H+]43)C[C@H]2C1	REAL300030584760	1	56	0.0	-58.95	395.84	5.29	-53.66
CC[N@@H+]1CCOC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030584782	1	53	0.0	-59.48	386.48	4.30	-55.18
CC[N@H+]1CCOC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030584782	1	53	0.0	-58.61	386.27	3.87	-54.74
O=C(C1=CN2C=[NH+]C=C2C=C1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030584835	0	47	0.0	-72.41	377.59	6.93	-65.48
CC1=C[NH+]=CN1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030584840	1	47	0.0	-65.62	372.25	5.87	-59.75
C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)CC[N@@H+]1C	REAL300030584856	0	52	0.0	-68.44	379.03	4.78	-63.66
C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)CC[N@H+]1C	REAL300030584856	1	52	0.0	-67.81	383.38	5.07	-62.74
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)CC[N@@H+]1C	REAL300030584861	0	55	0.0	-66.34	396.48	4.63	-61.71
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)CC[N@H+]1C	REAL300030584861	1	55	0.0	-66.22	398.57	5.50	-60.72
CC1CCC(C)[NH+]1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030584874	0	55	0.0	-53.53	402.40	5.56	-47.97
O=C(CCC[NH+]1CCCC1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030584880	0	55	0.0	-62.21	413.03	6.01	-56.20
C[NH+](C)CC1=CC=CC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)=C1	REAL300030584881	0	55	0.0	-78.86	415.37	6.21	-72.65
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)CC1	REAL300030584887	0	54	0.0	-84.12	409.82	5.76	-78.36
O=C(CC[NH+]1CCCCC1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030584888	0	55	0.0	-57.64	407.92	6.08	-51.56
C[NH+](C)CC1=CC=CC=C1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030584892	0	55	0.0	-65.75	415.74	6.66	-59.09
CC[N@@H+]1CCCCC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030584896	0	55	0.0	-61.25	399.94	5.23	-56.02
CC[N@H+]1CCCCC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030584896	1	55	0.0	-50.79	402.20	5.73	-45.06
C[NH+](C)C(C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)C1=CC=CC=C1	REAL300030584899	1	55	0.0	-64.79	410.70	6.29	-58.50
O=C(CN1C=[NH+]C2=C1CCCC2)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030584904	1	54	0.0	-64.25	414.67	7.18	-57.07
C[NH+](C)C1(CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)CCCC1	REAL300030584940	0	58	0.0	-58.37	407.77	6.13	-52.24
C[N@H+](CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)C1CCC1	REAL300030585105	0	52	0.0	-61.73	388.68	5.19	-56.54
C[N@@H+](CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)C1CCC1	REAL300030585105	1	52	0.0	-62.66	388.70	5.20	-57.46
CC(C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)[NH+]1C(C)CCC1C	REAL300030585130	0	58	0.0	-58.51	412.02	5.33	-53.18
O=C(CCCC[NH+]1CCCC1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030585143	0	58	0.0	-61.71	434.98	7.01	-54.70
C[N@H+](CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)CC1=CC=CC=C1	REAL300030585145	1	55	0.0	-66.71	419.28	7.09	-59.62
C[N@@H+](CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)CC1=CC=CC=C1	REAL300030585145	1	55	0.0	-60.47	419.19	6.96	-53.51
C[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)CC1	REAL300030585156	0	52	0.0	-68.08	383.11	4.49	-63.59
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030585201	0	49	0.0	-52.17	362.47	4.11	-48.06
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030585201	1	49	0.0	-53.47	365.56	4.41	-49.06
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030585225	1	51	0.0	-57.83	388.63	5.16	-52.67
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030585225	1	51	0.0	-61.80	389.79	5.57	-56.23
C[N@@H+]1CCCC1CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030585231	0	55	0.0	-66.46	404.00	5.28	-61.18
C[N@H+]1CCCC1CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030585231	1	55	0.0	-66.67	404.64	5.37	-61.30
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1	REAL300030585242	0	56	0.0	-60.28	390.18	5.19	-55.09
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CCC4CCCC[N@@H+]43)C[C@H]2C1	REAL300030585249	0	56	0.0	-51.45	405.56	6.01	-45.44
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CCC4CCCC[N@H+]43)C[C@H]2C1	REAL300030585249	1	56	0.0	-58.63	402.38	5.97	-52.66
CCC[N@@H+]1CCCC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030585322	0	58	0.0	-69.92	416.24	6.48	-63.44
CCC[N@H+]1CCCC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030585322	1	58	0.0	-67.60	426.36	6.44	-61.16
CC(C)[N@@H+]1CCOC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030585339	1	56	0.0	-61.53	403.98	4.93	-56.60
CC(C)[N@H+]1CCOC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030585339	1	56	0.0	-59.30	410.62	5.01	-54.29
C[N@@H+]1CCCCC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030585370	0	52	0.0	-64.58	383.80	4.72	-59.86
C[N@H+]1CCCCC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030585370	1	52	0.0	-66.89	375.18	4.73	-62.16
CC(C)C[N@@H+]1CCCC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030585394	0	58	0.0	-58.52	423.95	6.62	-51.90
CC(C)C[N@H+]1CCCC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030585394	1	58	0.0	-63.26	419.95	5.86	-57.40
O=C(C[NH+]1CCC(CO)CC1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030585409	0	56	0.0	-57.29	417.24	2.85	-54.44
CC1C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)CC[N@@H+]1C	REAL300030585455	0	52	0.0	-58.08	380.67	4.61	-53.47
CC1C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)CC[N@H+]1C	REAL300030585455	1	52	0.0	-65.26	386.62	4.38	-60.88
C[N@@H+]1CCCCC1CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030585457	0	58	0.0	-59.54	417.24	6.22	-53.32
C[N@H+]1CCCCC1CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030585457	1	58	0.0	-68.27	416.45	6.28	-61.99
NC1=[NH+]C2=C(C=C1C(=O)N1C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C1)CCC2	REAL300030585489	1	52	0.0	-56.28	399.33	4.30	-51.98
CC(C)(C)[N@@H+]1CCC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030585553	0	55	0.0	-60.50	388.83	3.84	-56.66
CC(C)(C)[N@H+]1CCC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030585553	1	55	0.0	-51.68	380.56	4.25	-47.43
C[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)[NH+](C)C	REAL300030585572	0	48	0.0	-62.63	359.76	3.48	-59.15
C[NH+](C)CC1=CC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)=CC=N1	REAL300030585586	1	54	0.0	-66.05	410.72	4.72	-61.33
C=CCC(C)(C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)[NH+](C)C	REAL300030585590	0	55	0.0	-81.69	388.59	4.73	-76.96
O=C(CC[NH+]1CCCC1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030585615	0	52	0.0	-65.46	389.43	4.87	-60.59
C[N@H+](CCO)CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030585625	1	49	0.0	-65.17	370.70	0.93	-64.24
C[N@@H+](CCO)CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030585625	1	49	0.0	-63.13	370.66	0.95	-62.18
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3C[N@@H+]4CCN3CCC4)C[C@H]2C1	REAL300030585663	0	55	0.0	-72.22	386.30	2.56	-69.66
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3C[N@H+]4CCN3CCC4)C[C@H]2C1	REAL300030585663	1	55	0.0	-63.28	385.57	2.56	-60.72
CC(C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)[NH+]1CCSCC1	REAL300030585685	1	53	0.0	-63.50	400.99	5.04	-58.46
C[N@H+]1CC=C(CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)CC1	REAL300030585725	0	53	0.0	-67.01	401.42	5.85	-61.16
C[N@@H+]1CC=C(CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)CC1	REAL300030585725	1	53	0.0	-65.85	401.42	5.84	-60.01
C[S+](C)CCC(O)C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030585740	0	51	0.0	-59.08	402.69	2.64	-56.44
C[N@@H+]1CC(O)CC1(C)C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030585759	0	53	0.0	-66.01	383.42	1.01	-65.00
C[N@H+]1CC(O)CC1(C)C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030585759	1	53	0.0	-63.55	384.07	0.80	-62.75
CN1CC[N@H+](C)CC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030585772	0	57	0.0	-64.01	409.34	2.89	-61.12
CN1CC[N@@H+](C)CC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030585772	1	57	0.0	-69.23	414.00	3.06	-66.17
CC(C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)[N@@H+]1CCCC(O)C1	REAL300030585773	0	56	0.0	-61.10	407.71	2.18	-58.92
CC(C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)[N@H+]1CCCC(O)C1	REAL300030585773	1	56	0.0	-62.99	411.34	2.36	-60.63
NC1=[NH+]C=C2CCCC2=C1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030585800	0	52	0.0	-52.16	404.59	4.49	-47.67
C[N@@H+]1CCCC(O)(CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030585806	0	56	0.0	-59.10	403.33	3.59	-55.51
C[N@H+]1CCCC(O)(CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030585806	1	56	0.0	-63.44	400.74	3.43	-60.01
CC1C[NH+](CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030585811	1	49	0.0	-63.44	373.75	4.61	-58.83
CC[N@@H+]1CCCC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030585818	0	55	0.0	-54.72	393.72	5.40	-49.32
CC[N@H+]1CCCC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030585818	1	55	0.0	-67.19	404.87	5.71	-61.48
NC1=[NH+]C=CC=C1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030585824	0	48	0.0	-57.87	378.17	3.50	-54.37
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CCC[N@@H+]3C3CC3)C[C@H]2C1	REAL300030585837	0	53	0.0	-65.77	391.06	5.34	-60.43
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CCC[N@H+]3C3CC3)C[C@H]2C1	REAL300030585837	1	53	0.0	-58.32	387.84	5.17	-53.15
O=C(C=CC[NH+]1CCCC1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030585880	0	53	0.0	-70.12	403.96	5.60	-64.52
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CC[NH+](C4CC4)CC3)C[C@H]2C1	REAL300030585903	0	56	0.0	-64.75	416.54	6.45	-58.30
CC[N@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030585950	0	48	0.0	-56.22	361.65	4.28	-51.94
O=C(CN1CC2C=CC1C2)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586010	0	51	0.0	-53.91	381.28	5.20	-48.71
O=C(C[N@@H+]1CC2C=CC1C2)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586010	1	51	0.0	-53.75	381.44	5.17	-48.58
O=C(C[N@H+]1CC2C=CC1C2)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586010	1	51	0.0	-53.75	381.44	5.17	-48.58
CC1=CC=C(NCCC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)N=C1	REAL300030586032	0	54	0.0	-61.65	421.54	4.92	-56.73
CC1=CC=C(NCCC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)[NH+]=C1	REAL300030586032	1	54	0.0	-61.65	421.54	4.92	-56.73
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C34CCC[N@@H+]3CCCC4)C[C@H]2C1	REAL300030586138	0	56	0.0	-59.71	390.56	4.72	-54.99
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C34CCC[N@H+]3CCCC4)C[C@H]2C1	REAL300030586138	1	56	0.0	-59.71	390.56	4.72	-54.99
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C34CCC[N@@H+]3CC=CC4)C[C@H]2C1	REAL300030586147	0	54	0.0	-61.03	383.44	5.19	-55.84
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C34CCC[N@H+]3CC=CC4)C[C@H]2C1	REAL300030586147	1	54	0.0	-61.03	383.44	5.19	-55.84
CC(OCC[NH+](C)C)C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586158	0	55	0.0	-66.73	415.03	4.71	-62.02
C[NH+](C)CCOCCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586168	0	55	0.0	-62.13	420.79	4.51	-57.62
COCCN(C)CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586170	0	52	0.0	-62.80	392.77	3.33	-59.47
COCC[N@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586170	1	52	0.0	-57.23	394.25	3.45	-53.78
COCC[N@@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586170	1	52	0.0	-57.23	394.25	3.45	-53.78
CC(CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)[NH+](C)C	REAL300030586176	0	54	0.0	-60.26	396.59	5.35	-54.91
CC[N@H+](CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)C1CC1	REAL300030586203	0	52	0.0	-53.70	390.18	5.62	-48.08
CC1C[N@@H+]2CCN1C(C(=O)N1C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C1)C2	REAL300030586219	0	55	0.0	-62.78	392.10	1.94	-60.84
C[N@@H+]1CC2CC1(C(=O)N1C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C1)C2	REAL300030586244	0	50	0.0	-67.41	369.74	4.22	-63.19
CC1=NC(N)=CC=C1C=CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586254	0	52	0.0	-58.78	408.15	4.32	-54.46
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586254	1	52	0.0	-58.78	408.15	4.32	-54.46
O=C(C[N@@H+]1CC2CCC1C2)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586261	0	53	0.0	-54.08	390.32	5.81	-48.27
O=C(C[N@H+]1CC2CCC1C2)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586261	1	53	0.0	-54.08	390.32	5.81	-48.27
CC(C[NH+](C)C)C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586283	0	51	0.0	-60.19	376.39	4.19	-56.00
CCN1CCC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586335	0	49	0.0	-55.27	375.36	4.62	-50.65
CC[N@@H+]1CCC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586335	1	49	0.0	-53.66	366.66	4.16	-49.50
CC[N@H+]1CCC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586335	1	49	0.0	-53.66	366.66	4.16	-49.50
CC(C)[N@@H+]1CCCC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030586348	0	58	0.0	-77.81	418.45	6.12	-71.69
CC(C)[N@H+]1CCCC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030586348	1	58	0.0	-77.81	418.45	6.12	-71.69
CCC(C)(C)[NH2+]C(C)C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586363	0	57	0.0	-61.68	405.02	3.90	-57.78
C#CCN1CCCCC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586407	0	54	0.0	-59.25	401.04	5.88	-53.37
C#CC[N@H+]1CCCCC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586407	1	54	0.0	-52.04	399.57	5.69	-46.35
C#CC[N@@H+]1CCCCC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586407	1	54	0.0	-52.04	399.57	5.69	-46.35
CNC1=NC(C)=CC=C1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586408	0	51	0.0	-50.28	393.08	4.15	-46.13
CNC1=[NH+]C(C)=CC=C1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586408	1	51	0.0	-50.28	393.08	4.15	-46.13
CCCC(C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)[NH+](C)C	REAL300030586418	0	54	0.0	-65.51	395.13	5.10	-60.41
C[NH+](C)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586425	0	51	0.0	-59.01	359.52	3.93	-55.08
CC(CC[NH+](C)C)C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586444	0	54	0.0	-66.34	398.71	4.69	-61.65
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)C[C@H]2C1	REAL300030586515	0	54	0.0	-49.92	387.86	6.38	-43.54
C[N@@H+]1CC(C)(C)CC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586554	0	55	0.0	-54.25	405.24	5.68	-48.57
C[N@H+]1CC(C)(C)CC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586554	1	55	0.0	-54.25	405.24	5.68	-48.57
C[NH+](C)CCCCCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586559	0	57	0.0	-64.98	430.51	6.61	-58.37
O=C(CC[NH+]1CCC(O)CC1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586563	0	56	0.0	-62.58	417.60	2.50	-60.08
CCC[N@@H+]1CCCCC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586567	0	58	0.0	-61.82	414.80	5.80	-56.02
CCC[N@H+]1CCCCC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586567	1	58	0.0	-61.82	414.80	5.80	-56.02
CN1CCN(CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)CC1	REAL300030586577	0	54	0.0	-65.92	402.32	3.02	-62.90
C[NH+]1CCN(CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)CC1	REAL300030586577	1	54	0.0	-65.92	402.32	3.02	-62.90
CC1CN(C)CC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)O1	REAL300030586679	0	53	0.0	-63.72	388.50	3.85	-59.87
CC1C[N@H+](C)CC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)O1	REAL300030586679	1	53	0.0	-67.11	390.08	4.54	-62.57
CC1C[N@@H+](C)CC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)O1	REAL300030586679	1	53	0.0	-67.11	390.08	4.54	-62.57
CCC1CCC[N@H+](CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030586712	0	58	0.0	-53.86	424.62	6.68	-47.18
CCC1CCC[N@@H+](CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030586712	1	58	0.0	-53.86	424.62	6.68	-47.18
O=C(CC1([NH+]2CCCC2)CC1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586749	0	56	0.0	-55.11	410.11	6.41	-48.70
C[N@@H+]1CCCCC1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586788	0	52	0.0	-66.89	375.18	4.73	-62.16
C[N@@H+]1CCC(=CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030586911	0	50	0.0	-69.22	381.04	4.63	-64.59
C[N@H+]1CCC(=CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030586911	1	50	0.0	-71.59	378.16	4.55	-67.04
O=C(CNC1=CC=[NH+]C=C1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586916	0	48	0.0	-65.67	378.36	2.43	-63.24
CC[NH+]1CCN(CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)CC1	REAL300030586973	0	57	0.0	-62.80	420.25	3.79	-59.01
O=C(C=C1C[NH+]2CCC1CC2)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586976	0	54	0.0	-66.40	396.72	5.36	-61.04
C[NH+](C)C1(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)CCCC1	REAL300030587014	0	55	0.0	-71.45	382.43	4.90	-66.55
C[N@H+](CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)[C@@H]1CCC[C@H]1O	REAL300030587025	0	56	0.0	-56.65	414.81	2.95	-53.70
C[N@@H+](CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)[C@@H]1CCC[C@H]1O	REAL300030587025	1	56	0.0	-61.59	413.82	2.52	-59.07
CCC1C[NH+](CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030587031	0	52	0.0	-64.47	395.16	5.39	-59.08
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3([NH+]4CCCC4)CCC3)C[C@H]2C1	REAL300030587035	0	56	0.0	-58.46	392.14	5.53	-52.93
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587049	0	49	0.0	-61.65	363.11	4.35	-57.30
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587049	1	49	0.0	-65.83	361.18	3.75	-62.08
CC[N@@H+]1CCOCC1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587080	0	56	0.0	-65.23	405.78	3.50	-61.73
NC1=NC2=CC(C(=O)N3C[C@@H]4CCN(C(=O)C5=CC(=O)[N-]O5)C[C@@H]4C3)=CC=C2N1	REAL300030587170	0	49	0.0	-64.01	380.97	4.30	-59.71
NC1=[NH+]C2=CC(C(=O)N3C[C@@H]4CCN(C(=O)C5=CC(=O)[N-]O5)C[C@@H]4C3)=CC=C2N1	REAL300030587170	1	49	0.0	-64.01	380.97	4.30	-59.71
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030587208	0	52	0.0	-62.71	393.27	5.47	-57.24
C[NH+](C)C1CCC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)CC1	REAL300030587223	0	58	0.0	-73.12	412.01	5.56	-67.56
C[NH+](C)CCC1(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)CC1	REAL300030587224	0	55	0.0	-76.10	411.85	5.77	-70.33
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)CC1	REAL300030587226	0	58	0.0	-66.80	410.88	5.50	-61.30
C[N@@H+]1CC=CCC1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587227	0	53	0.0	-66.37	393.37	5.17	-61.20
C[N@H+]1CC=CCC1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587227	1	53	0.0	-66.37	393.37	5.17	-61.20
CC1=CC(C=CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)=CN=C1N	REAL300030587277	0	52	0.0	-65.23	406.92	4.46	-60.77
CC1=CC(C=CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)=C[NH+]=C1N	REAL300030587277	1	52	0.0	-65.23	406.92	4.46	-60.77
C[NH+](C)CCOCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587290	0	52	0.0	-60.21	399.43	4.71	-55.50
CCCCC[N@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587296	0	60	0.0	-66.46	447.39	6.66	-59.80
CCCCC[N@@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587296	1	60	0.0	-66.46	447.39	6.66	-59.80
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)O1	REAL300030587308	0	56	0.0	-63.36	417.44	5.67	-57.69
[NH2+]=C1SC=CN1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587333	0	45	0.0	-55.73	370.98	3.87	-51.86
C[C@@H](OCC[NH+](C)C)C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587407	0	55	0.0	-63.51	413.92	4.68	-58.83
O=C(CC[NH+]1CCCCCC1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587451	0	58	0.0	-66.67	416.50	6.17	-60.50
O=C(C[NH+]1CCCCC1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587455	0	52	0.0	-55.17	385.65	5.54	-49.63
C[N@@H+]1CCCC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030587457	0	52	0.0	-80.46	383.92	4.68	-75.78
C[N@H+]1CCCC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030587457	1	52	0.0	-61.16	376.94	4.63	-56.53
O=C(C[NH+]1CCC(CO)CC1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587458	0	56	0.0	-57.29	417.24	2.85	-54.44
O=C(C[NH+]1CCCCCC1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587461	0	55	0.0	-54.83	395.11	5.79	-49.04
CN1C=C[N+](CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)=C1	REAL300030587466	0	47	0.0	-57.58	375.15	7.20	-50.38
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)O1	REAL300030587484	1	52	0.0	-62.89	403.56	4.86	-58.03
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C=N1	REAL300030587490	0	54	0.0	-72.58	410.58	4.71	-67.87
O=C(C[NH+]1CCC(O)CC1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587504	1	53	0.0	-66.47	395.95	2.07	-64.40
C[N@@H+](CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)C1CC1	REAL300030587509	1	49	0.0	-54.89	373.33	5.06	-49.83
CC(C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)N1CC[NH+](C)CC1	REAL300030587511	1	57	0.0	-65.49	417.70	3.37	-62.12
O=C(CC[N@@H+]1CCC(F)C1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587514	1	52	0.0	-68.65	396.53	5.30	-63.35
COC1C[N@@H+](C)C(C)(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030587525	1	56	0.0	-56.53	405.33	3.09	-53.44
CC(CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)C[NH+](C)C	REAL300030587545	0	54	0.0	-60.39	400.64	5.64	-54.75
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CC[N@@H+]4CCOCC34)C[C@H]2C1	REAL300030587561	0	54	0.0	-63.06	397.59	3.22	-59.84
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CC[N@H+]4CCOCC34)C[C@H]2C1	REAL300030587561	1	54	0.0	-57.04	393.24	3.66	-53.38
CC1=[NH+]C=C2C=CC(C(=O)N3C[C@@H]4CCN(C(=O)C5=CC(=O)[N-]O5)C[C@@H]4C3)=CN21	REAL300030587566	0	50	0.0	-67.64	399.00	6.69	-60.95
CN1CCOCC1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587583	0	53	0.0	-69.34	392.77	3.34	-66.00
C[N@@H+]1CCOCC1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587583	1	53	0.0	-63.72	386.10	2.81	-60.91
C[N@H+]1CCOCC1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587583	1	53	0.0	-69.34	392.77	3.34	-66.00
CC[NH+]1CCN(CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)CC1	REAL300030587591	0	57	0.0	-62.80	420.25	3.79	-59.01
CC1=CC(N)=[NH+]C=C1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587646	1	48	0.0	-50.64	372.76	2.87	-47.77
NC1=CC=C(CCC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C=[NH+]1	REAL300030587649	0	51	0.0	-59.17	401.53	3.92	-55.25
CC1(O)CC[N@@H+](CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030587690	1	53	0.0	-62.64	398.61	1.94	-60.70
C[NH+]1CC(CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030587725	0	49	0.0	-67.30	374.10	4.34	-62.96
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CC[N@@H+]3C3CCCC3)C[C@H]2C1	REAL300030587730	0	56	0.0	-55.99	406.79	5.77	-50.22
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CC[N@H+]3C3CCCC3)C[C@H]2C1	REAL300030587730	1	56	0.0	-62.85	412.61	5.93	-56.92
C[NH+](C)CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587738	0	45	0.0	-59.13	342.31	3.35	-55.78
C[N@H+](CCO)CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587767	0	52	0.0	-64.70	393.25	1.15	-63.55
C[N@@H+](CCO)CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587767	1	52	0.0	-59.14	394.34	1.74	-57.40
C[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)[NH+](C)C	REAL300030587768	0	48	0.0	-62.63	359.76	3.48	-59.15
C[N@@H+]1CCCCC1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587790	0	55	0.0	-56.26	394.08	5.44	-50.82
C[N@H+]1CCCCC1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587790	1	55	0.0	-64.35	402.12	5.89	-58.46
CC1=C2C=C(C(=O)N3C[C@@H]4CCN(C(=O)C5=CC(=O)[N-]O5)C[C@@H]4C3)C=CN2C=[NH+]1	REAL300030587812	1	50	0.0	-68.53	399.62	7.50	-61.03
CC(C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)[NH+]1CC(C)C1	REAL300030587813	0	52	0.0	-53.21	392.38	5.21	-48.00
CC1CCN1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587817	0	49	0.0	-65.32	372.55	4.07	-61.25
CC1CC[N@@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587817	1	49	0.0	-61.72	373.81	4.61	-57.11
CC1CC[N@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587817	1	49	0.0	-65.32	372.55	4.07	-61.25
C[NH+](C)CC=CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587831	0	49	0.0	-69.19	378.14	4.28	-64.91
CC1(C)C[NH+](CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C1	REAL300030587844	1	52	0.0	-55.72	394.40	5.23	-50.49
CC1=C(C)[NH+]=C(CCC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)N1	REAL300030587863	1	53	0.0	-53.94	414.15	4.95	-48.99
CC1=C2C=C(C(=O)N3C[C@@H]4CCN(C(=O)C5=CC(=O)[N-]O5)C[C@@H]4C3)C=CN2C=[NH+]1	REAL300030587874	1	50	0.0	-68.53	399.62	7.50	-61.03
C[NH+](C)CCSCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587884	0	52	0.0	-64.02	410.51	5.55	-58.47
O=C(C[N@H+]1CCCC1CO)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587910	0	53	0.0	-63.04	392.10	1.28	-61.76
O=C(C[N@@H+]1CCCC1CO)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587910	1	53	0.0	-62.66	392.13	1.54	-61.12
CC[NH+](CC)CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587914	0	51	0.0	-55.43	375.54	4.74	-50.69
C[N@H+](CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)C1CCSC1	REAL300030587925	0	53	0.0	-68.00	402.01	5.73	-62.27
C[N@@H+](CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)C1CCSC1	REAL300030587925	1	53	0.0	-69.51	402.01	5.72	-63.79
O=C(C[NH+]1CCC1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587927	1	46	0.0	-63.50	352.59	3.95	-59.55
CC[NH+](CC)CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587978	0	54	0.0	-56.16	401.67	5.52	-50.64
C[NH+](C)CC1=CNC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)=C1	REAL300030588045	0	53	0.0	-68.83	404.93	4.54	-64.29
CC(C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)[NH+]1CCC(O)CC1	REAL300030588064	0	56	0.0	-62.60	405.06	2.07	-60.53
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CC4COCC[N@@H+]4C3)C[C@H]2C1	REAL300030588070	0	54	0.0	-65.38	397.69	3.28	-62.10
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CC4COCC[N@H+]4C3)C[C@H]2C1	REAL300030588070	1	54	0.0	-65.72	398.93	3.30	-62.42
CC(C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)[NH+]1CCC1	REAL300030588085	1	49	0.0	-62.38	363.76	3.62	-58.76
CCC(CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)C[NH+](C)C	REAL300030588092	0	57	0.0	-60.24	418.56	6.21	-54.03
NC1=CC=C(C=CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C=[NH+]1	REAL300030588099	0	49	0.0	-66.40	389.10	3.70	-62.70
C[NH+](C)CC(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030588100	0	54	0.0	-49.30	375.76	4.80	-44.50
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030588164	0	52	0.0	-60.00	374.65	4.45	-55.55
C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030588164	1	52	0.0	-55.08	383.61	4.86	-50.22
CC1CN2CC[N@@H+]1CC2C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030588179	0	55	0.0	-51.10	392.55	2.21	-48.89
CC1CN2CC[N@H+]1CC2C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030588179	1	55	0.0	-72.04	391.55	2.20	-69.84
C[NH+](C)CC(O)CC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030588200	0	52	0.0	-62.18	396.05	2.65	-59.53
C[NH+]1C2CCC1CC(C(=O)N1C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C1)C2	REAL300030588203	0	56	0.0	-64.29	402.74	5.64	-58.65
C=CCC(C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)[NH+](C)C	REAL300030588236	0	52	0.0	-62.31	383.09	4.69	-57.62
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CC4CCCC[N@@H+]4C3)C[C@H]2C1	REAL300030588246	0	56	0.0	-62.32	407.07	5.65	-56.67
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3CC4CCCC[N@H+]4C3)C[C@H]2C1	REAL300030588246	1	56	0.0	-60.92	405.92	5.68	-55.24
C[NH+]1CCC(C)(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)CC1	REAL300030588257	0	55	0.0	-60.57	390.34	4.61	-55.96
C[NH+]1CCC(O)(CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)CC1	REAL300030588259	0	56	0.0	-66.14	413.56	3.88	-62.26
CC1=C2C=C(C(=O)N3CC[C@H]4CN(C(=O)C5=CC(=O)[N-]O5)C[C@H]4C3)C=CN2C=[NH+]1	REAL300030588341	1	50	0.0	-71.07	393.96	7.10	-63.97
C[NH+](C)CCSCC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030588350	0	52	0.0	-81.69	410.07	5.10	-76.59
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CC4COCC[N@@H+]4C3)C[C@@H]2C1	REAL300030588358	0	54	0.0	-69.90	398.78	3.88	-66.02
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3CC4COCC[N@H+]4C3)C[C@@H]2C1	REAL300030588358	1	54	0.0	-71.65	397.04	3.59	-68.06
C[N@@H+]1CCCC1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030588504	0	43	0.0	-60.72	341.59	2.33	-58.39
C[N@H+]1CCCC1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030588504	1	43	0.0	-60.83	340.71	2.73	-58.10
C[N@@H+]1CCOC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030588528	1	44	0.0	-53.00	344.76	1.92	-51.08
C[N@H+]1CCOC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030588528	1	44	0.0	-62.61	351.85	2.08	-60.53
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030588724	1	50	0.0	-60.12	401.63	4.48	-55.64
CC(C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCCC1	REAL300030588728	0	52	0.0	-58.79	380.68	4.21	-54.58
CC(C)[N@@H+]1CCCC1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030588762	0	49	0.0	-63.10	369.13	3.64	-59.46
CC(C)[N@H+]1CCCC1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030588762	1	49	0.0	-55.36	365.74	3.73	-51.63
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@@H+]2C1	REAL300030588787	0	50	0.0	-61.59	382.12	4.28	-57.31
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@H+]2C1	REAL300030588787	1	50	0.0	-64.66	382.00	4.32	-60.34
CC(C)C1=[NH+]C=CN1CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030588817	1	47	0.0	-59.04	380.14	4.36	-54.68
CC1=[NH+]C=CN1CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030588868	1	41	0.0	-60.83	342.61	3.22	-57.61
CC(C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030588870	0	50	0.0	-64.02	385.69	2.35	-61.67
O=C(CCC[NH+]1CCCCC1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030588888	0	52	0.0	-66.18	401.48	4.61	-61.57
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@@H+](C2CCCCC2)C1	REAL300030588927	0	56	0.0	-64.82	421.19	5.28	-59.54
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@H+](C2CCCCC2)C1	REAL300030588927	1	56	0.0	-63.21	420.88	5.54	-57.67
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1C[NH+]2CCC1CC2	REAL300030588944	0	47	0.0	-60.14	357.16	3.17	-56.97
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCC2CCC[N@@H+]21	REAL300030589005	0	50	0.0	-58.02	370.90	4.18	-53.84
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCC2CCC[N@H+]21	REAL300030589005	1	50	0.0	-60.98	371.94	3.88	-57.10
C[NH+](C)CCN1C=C(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C=N1	REAL300030589007	0	49	0.0	-76.28	398.79	3.13	-73.15
C[NH+](C)CCN1C=CC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300030589021	0	49	0.0	-71.13	398.91	3.14	-67.99
C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030589028	0	46	0.0	-60.53	351.95	2.81	-57.72
C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030589028	1	46	0.0	-60.31	356.47	3.09	-57.22
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030589031	1	50	0.0	-58.77	400.18	4.84	-53.93
CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030589034	0	49	0.0	-63.96	373.13	2.99	-60.97
CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030589034	1	49	0.0	-59.09	375.11	3.88	-55.21
CC[N@@H+]1CCOC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030589060	1	47	0.0	-68.53	369.41	2.73	-65.80
CC[N@H+]1CCOC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030589060	1	47	0.0	-68.05	362.48	2.59	-65.46
CC[NH+](CC)CC(F)C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030589120	0	48	0.0	-59.30	370.78	3.23	-56.07
CC1CCC(C)[NH+]1CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030589223	0	49	0.0	-57.81	371.42	3.51	-54.30
O=C(CCC[NH+]1CCCC1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030589233	0	49	0.0	-66.00	384.79	3.83	-62.17
C[NH+](C)CC1=CC=CC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030589234	0	49	0.0	-69.51	392.65	5.13	-64.38
C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030589242	0	48	0.0	-67.21	383.49	4.44	-62.77
O=C(CC[NH+]1CCCCC1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030589243	0	49	0.0	-62.78	378.29	4.06	-58.72
CC(C)C[N@@H+]1CCC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030589280	0	52	0.0	-65.25	400.37	4.34	-60.91
CC(C)C[N@H+]1CCC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030589280	1	52	0.0	-63.52	399.42	4.52	-59.00
CC(C)[N@@H+]1CCCC1CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030589292	0	52	0.0	-54.86	383.34	3.70	-51.16
CC(C)[N@H+]1CCCC1CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030589292	1	52	0.0	-53.90	383.94	4.14	-49.76
C[N@H+](CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300030589379	0	46	0.0	-60.44	360.54	3.61	-56.83
C[N@@H+](CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300030589379	1	46	0.0	-59.62	360.39	3.61	-56.01
CC(C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1C(C)CCC1C	REAL300030589464	0	52	0.0	-58.13	375.81	3.58	-54.55
CN(CCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=[NH+]C=C1	REAL300030589537	0	48	0.0	-59.38	388.76	3.28	-56.10
C[N@@H+]1CCCC1CCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030589559	0	49	0.0	-66.51	377.82	3.39	-63.12
C[N@H+]1CCCC1CCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030589559	1	49	0.0	-67.51	379.53	3.72	-63.79
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC2CCCC[N@@H+]21	REAL300030589576	0	50	0.0	-55.84	375.02	4.10	-51.74
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC2CCCC[N@H+]21	REAL300030589576	1	50	0.0	-59.95	376.13	4.12	-55.83
CC[NH+](CC)CC1=CC=C(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030589601	0	52	0.0	-65.73	414.88	4.79	-60.94
O=C(CCCC[NH+]1CCCC1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030589606	0	52	0.0	-65.72	405.62	4.94	-60.78
C[N@H+](CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300030589609	1	49	0.0	-64.64	390.95	5.22	-59.42
C[N@@H+](CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300030589609	1	49	0.0	-64.25	390.90	5.22	-59.03
C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030589625	0	46	0.0	-63.00	358.81	3.29	-59.71
C[NH+](C)CC1=CC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)=NO1	REAL300030589676	1	45	0.0	-77.43	374.05	2.32	-75.11
CC1=C(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C=CC2=C[NH+]=CN21	REAL300030589678	0	44	0.0	-61.32	368.29	5.10	-56.22
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN2C=[NH+]C=C2C=C1	REAL300030589909	0	41	0.0	-67.49	346.14	4.88	-62.61
CC1=[NH+]C=CN1CCCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030589925	1	47	0.0	-63.18	385.29	4.53	-58.65
O=C(CCCC[NH+]1CCOCC1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030589929	1	53	0.0	-68.54	412.56	3.23	-65.31
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C=C1	REAL300030589933	0	49	0.0	-72.22	392.62	5.13	-67.09
O=C(CC[NH+]1CCOCC1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030589934	1	47	0.0	-65.49	369.56	1.63	-63.86
CCC[NH+](CCC)CCCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030589956	0	57	0.0	-65.08	436.85	5.84	-59.24
CC1=C[NH+]=CN1CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030589980	1	41	0.0	-60.67	344.24	3.97	-56.70
O=C(CN1C=[NH+]C2=C1CCCC2)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030589993	1	48	0.0	-58.95	386.09	5.70	-53.25
C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CCCCC1	REAL300030590027	0	55	0.0	-70.88	398.98	5.28	-65.60
C[N@H+](CCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCCC1	REAL300030590031	0	55	0.0	-65.13	414.40	4.95	-60.18
C[N@@H+](CCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCCC1	REAL300030590031	1	55	0.0	-65.99	414.39	4.95	-61.04
C[NH+](C)C1CCCC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030590077	0	52	0.0	-65.03	393.11	4.50	-60.53
C[N@@H+]1CCC(CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030590084	0	46	0.0	-66.92	361.52	3.21	-63.71
C[N@H+]1CCC(CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030590084	1	46	0.0	-65.87	361.55	3.23	-62.64
CCC(C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030590101	0	45	0.0	-59.99	346.35	2.37	-57.62
C[NH+](C)C1(CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300030590122	0	52	0.0	-66.16	380.16	3.84	-62.32
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC2=C[NH+]=CN2C=C1	REAL300030590188	1	41	0.0	-69.35	346.60	4.85	-64.50
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300030590230	1	44	0.0	-71.04	373.91	3.09	-67.95
C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030590259	0	48	0.0	-67.25	379.65	3.77	-63.48
CCC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030590280	0	48	0.0	-63.91	375.89	3.58	-60.33
CCC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030590280	1	48	0.0	-64.14	375.88	3.57	-60.57
CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030590285	0	45	0.0	-63.81	355.21	2.77	-61.04
CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030590285	1	45	0.0	-61.71	353.52	3.03	-58.68
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C12CC[N@H+](C1)CCC2	REAL300030590310	0	47	0.0	-65.81	356.12	2.87	-62.94
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C12CC[N@@H+](C1)CCC2	REAL300030590310	1	47	0.0	-63.47	355.74	2.86	-60.61
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030590371	0	43	0.0	-63.38	334.20	2.17	-61.21
C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030590371	1	43	0.0	-62.83	342.26	2.41	-60.42
CC1CC2CCC(C(=O)N[C@@H]3[C@H]4C[C@@H]3N(C(=O)C3=CC(=O)[N-]O3)C4)C[N@@H+]2C1	REAL300030590399	0	53	0.0	-61.58	402.37	4.96	-56.62
CC1CC2CCC(C(=O)N[C@@H]3[C@H]4C[C@@H]3N(C(=O)C3=CC(=O)[N-]O3)C4)C[N@H+]2C1	REAL300030590399	1	53	0.0	-59.27	398.15	4.87	-54.40
CCCCCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030590448	0	54	0.0	-62.70	418.26	5.38	-57.32
CCCCCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030590448	1	54	0.0	-62.61	418.02	5.38	-57.23
CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030590469	0	45	0.0	-59.85	345.88	2.71	-57.14
CCC[N@@H+]1CCCC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030590495	0	52	0.0	-63.79	398.13	4.65	-59.14
CCC[N@H+]1CCCC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030590495	1	52	0.0	-64.02	399.89	4.35	-59.67
CC(C)[N@@H+]1CCOC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030590512	1	50	0.0	-53.01	375.72	3.07	-49.94
CC(C)[N@H+]1CCOC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030590512	1	50	0.0	-59.91	386.21	3.29	-56.62
CC1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030590552	0	49	0.0	-61.28	376.94	4.11	-57.17
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300030590580	1	44	0.0	-75.45	373.79	3.07	-72.38
C[NH+]1CCC(OCC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030590588	0	50	0.0	-71.77	394.65	3.69	-68.08
C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030590606	0	46	0.0	-71.81	367.84	3.13	-68.68
CC1=[NH+]C=C2CCC(C(=O)N[C@@H]3[C@H]4C[C@@H]3N(C(=O)C3=CC(=O)[N-]O3)C4)CN21	REAL300030590607	1	48	0.0	-58.94	382.70	4.37	-54.57
CC(C)[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030590700	0	52	0.0	-64.57	389.46	4.25	-60.32
C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030590727	0	46	0.0	-63.00	358.81	3.29	-59.71
CCC(C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](CC)CC	REAL300030590765	0	51	0.0	-59.84	381.81	3.66	-56.18
CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030590861	0	45	0.0	-63.38	354.38	2.84	-60.54
CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030590861	1	45	0.0	-63.66	354.63	2.84	-60.82
CC1CCC[N@@H+]1CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030590932	0	46	0.0	-58.42	353.03	3.04	-55.38
CC1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030590932	1	46	0.0	-58.46	359.76	3.40	-55.06
CC1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030590935	0	46	0.0	-63.11	361.53	3.07	-60.04
CC1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030590935	1	46	0.0	-63.05	361.94	3.11	-59.94
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030590936	0	52	0.0	-65.69	397.50	3.64	-62.05
CC(C)(C)[N@H+]1CCC(F)(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030590936	1	52	0.0	-64.38	396.45	3.90	-60.48
CC1=[NH+]C=C2CC(C(=O)N[C@@H]3[C@H]4C[C@@H]3N(C(=O)C3=CC(=O)[N-]O3)C4)CCN21	REAL300030590937	1	48	0.0	-57.18	382.74	4.36	-52.82
C[NH+](C)CCC1=CC=C(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C=C1	REAL300030590939	0	52	0.0	-74.15	415.13	5.98	-68.17
CC1(C)CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030590941	0	49	0.0	-62.46	381.26	3.64	-58.82
CC1(C)CC[N@@H+](CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030590941	1	49	0.0	-60.48	379.41	3.87	-56.61
C[N@H+](CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300030590942	0	51	0.0	-63.44	383.81	3.77	-59.67
C[N@@H+](CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300030590942	1	51	0.0	-60.65	384.07	4.18	-56.47
C[N@H+](CCC1=CC=CC=C1)CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030590943	0	52	0.0	-65.64	413.67	6.06	-59.58
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030590943	1	52	0.0	-67.99	415.11	5.79	-62.20
CC[C@@H](C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030590952	0	45	0.0	-60.57	346.35	2.37	-58.20
CC(COCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCC1	REAL300030590959	0	53	0.0	-64.48	412.87	4.38	-60.10
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[NH+](CC2CC2)CC1	REAL300030591059	0	53	0.0	-66.54	408.04	5.50	-61.04
C[NH+]1CCC(O)(CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030591198	0	50	0.0	-68.99	385.25	1.95	-67.04
COCC[N@@H+]1CCCC1CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030591206	0	53	0.0	-60.32	403.42	2.96	-57.36
COCC[N@H+]1CCCC1CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030591206	1	53	0.0	-57.57	407.65	3.20	-54.37
O=C(C[NH+]1CCC(CO)CC1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030591217	1	50	0.0	-64.53	387.77	0.80	-63.73
O=C(C[NH+]1CCCCCC1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030591221	0	49	0.0	-61.91	365.33	3.67	-58.24
CN1C=C[N+](CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030591226	0	41	0.0	-61.88	345.52	5.14	-56.74
C[N@@H+]1CCCC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030591238	0	46	0.0	-61.48	352.80	3.45	-58.03
C[N@H+]1CCCC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030591238	1	46	0.0	-59.19	352.56	3.45	-55.74
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@@H+]1C1CC1	REAL300030591242	0	47	0.0	-58.03	366.75	4.02	-54.01
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@H+]1C1CC1	REAL300030591242	1	47	0.0	-57.74	366.89	4.02	-53.72
CC(C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300030591275	1	43	0.0	-62.67	343.73	2.39	-60.28
CCC(CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300030591287	0	51	0.0	-67.85	385.64	4.09	-63.76
O=C(C[NH+]1CCC(O)CC1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030591338	1	47	0.0	-63.72	367.18	0.14	-63.58
C[N@H+](CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030591340	0	43	0.0	-59.74	343.48	3.04	-56.70
C[N@@H+](CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030591340	1	43	0.0	-59.38	343.62	3.04	-56.34
CC(C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)N1CC[NH+](C)CC1	REAL300030591341	1	51	0.0	-66.22	386.92	1.16	-65.06
C[NH+]1CC(CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030591371	0	43	0.0	-65.20	347.46	2.15	-63.05
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@@H+]1C1CCCC1	REAL300030591375	0	50	0.0	-59.89	388.57	4.54	-55.35
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@H+]1C1CCCC1	REAL300030591375	1	50	0.0	-62.24	381.29	3.80	-58.44
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030591383	0	49	0.0	-58.50	359.63	2.90	-55.60
CC(C)(C)[N@H+]1CCC1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030591383	1	49	0.0	-59.87	361.29	2.46	-57.41
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300030591395	0	49	0.0	-64.98	391.75	1.85	-63.13
C[C@@H](C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030591399	0	42	0.0	-61.26	334.28	1.72	-59.54
CCC1CCC[N@H+](CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030591449	0	52	0.0	-60.13	387.73	4.31	-55.82
CCC1CCC[N@@H+](CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030591449	1	52	0.0	-63.25	387.90	4.27	-58.98
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300030591458	0	47	0.0	-72.11	382.71	2.76	-69.35
C[NH+]1C2CCC1CC(CC(=O)N[C@@H]1[C@H]3C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030591472	0	53	0.0	-66.07	393.02	4.56	-61.51
C[NH+](C)C(CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300030591477	0	52	0.0	-70.00	406.35	5.32	-64.68
[NH2+]=C1SC=CN1CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030591518	0	39	0.0	-60.12	341.55	1.81	-58.31
C[N@H+](CCO)CCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030591528	0	46	0.0	-64.56	364.74	-0.37	-64.93
C[N@@H+](CCO)CCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030591528	1	46	0.0	-62.89	364.69	-0.38	-63.27
C[C@@H](C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030591529	0	42	0.0	-61.26	334.28	1.72	-59.54
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030591534	0	46	0.0	-64.43	348.54	2.80	-61.63
C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030591534	1	46	0.0	-62.56	356.50	3.21	-59.35
CC1CN2CC[N@@H+]1CC2C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030591542	0	49	0.0	-59.22	368.69	0.33	-58.89
CC1CN2CC[N@H+]1CC2C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030591542	1	49	0.0	-70.52	368.72	0.30	-70.22
O=C(CC1=CC2=C[NH+]=CN2C=C1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030591603	0	44	0.0	-67.29	368.70	5.81	-61.48
C[N@H+](CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300030591632	0	47	0.0	-66.39	373.63	3.87	-62.52
C[N@@H+](CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300030591632	1	47	0.0	-65.83	375.06	3.83	-62.00
C[NH+](C)CC1=CC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)=CC=N1	REAL300030591670	1	48	0.0	-68.59	388.72	3.68	-64.91
C[N@@H+]1CCC(=CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030591671	0	44	0.0	-69.05	352.23	3.18	-65.87
C[N@H+]1CCC(=CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030591671	1	44	0.0	-69.13	352.38	3.20	-65.93
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1C[NH+](C2CCCCC2)C1	REAL300030591698	0	53	0.0	-58.81	406.22	5.00	-53.81
C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030591714	0	46	0.0	-66.62	370.16	2.69	-63.93
CCCCC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030591722	0	54	0.0	-64.69	418.88	5.15	-59.54
CCCCC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030591722	1	54	0.0	-64.92	418.89	5.15	-59.77
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030591732	0	50	0.0	-67.58	393.20	3.56	-64.02
C=CCC(C)(C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030591744	0	49	0.0	-56.43	367.68	3.17	-53.26
C[S+](C)CCC(O)C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030591749	0	45	0.0	-69.55	379.38	1.28	-68.27
CN1CC[N@H+](C)CC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030591799	0	51	0.0	-65.59	386.61	1.12	-64.47
CN1CC[N@@H+](C)CC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030591799	1	51	0.0	-65.59	386.61	1.12	-64.47
CC(C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[N@@H+]1CCCC(O)C1	REAL300030591800	0	50	0.0	-56.80	383.67	0.75	-56.05
O=C(CN1CCC(CO)CC1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030591816	0	50	0.0	-64.53	387.77	0.80	-63.73
O=C(C[NH+]1CCC(CO)CC1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030591816	1	50	0.0	-64.53	387.77	0.80	-63.73
C[N@@H+]1CCCC(O)(CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030591827	0	50	0.0	-65.35	386.26	1.68	-63.67
C[N@H+]1CCCC(O)(CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030591827	1	50	0.0	-65.35	386.26	1.68	-63.67
CC1CN(CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030591831	0	43	0.0	-62.06	345.02	2.79	-59.27
CC1C[NH+](CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030591831	1	43	0.0	-62.06	345.02	2.79	-59.27
NC(=O)C1CCN(CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030591836	0	50	0.0	-71.82	392.40	0.18	-71.64
NC(=O)C1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030591836	1	50	0.0	-71.82	392.40	0.18	-71.64
C[N@H+](CCO)CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030591860	1	43	0.0	-61.46	342.37	-0.95	-62.41
C[N@@H+](CCO)CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030591860	1	43	0.0	-62.37	342.40	-0.93	-63.30
C[NH+]1C2CCC1CC(=CC(=O)N[C@@H]1[C@H]3C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030591888	0	51	0.0	-68.54	389.05	4.30	-64.24
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1C[N@@H+]2CCN1CCC2	REAL300030591892	0	49	0.0	-59.04	361.35	1.42	-57.62
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1C[N@H+]2CCN1CCC2	REAL300030591892	1	49	0.0	-72.09	361.46	1.43	-70.66
CC[N@@H+]1CCCC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030591901	0	49	0.0	-60.34	370.22	4.11	-56.23
CC[N@H+]1CCCC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030591901	1	49	0.0	-63.33	377.93	3.64	-59.69
CC(CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300030591903	0	48	0.0	-66.80	371.45	3.62	-63.18
CC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030591918	0	42	0.0	-61.46	332.02	2.30	-59.16
CC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030591918	1	42	0.0	-61.38	332.02	2.30	-59.08
CC[N@H+](CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030591981	0	46	0.0	-58.80	362.88	3.66	-55.14
CC[N@@H+](CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030591981	1	46	0.0	-58.50	359.17	3.39	-55.11
CC[NH+](CC)CCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030592000	0	48	0.0	-63.07	367.89	3.27	-59.80
C[NH+]1CCC(=CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030592021	0	47	0.0	-69.97	368.03	3.93	-66.04
O=C(CCCC[NH+]1CCCCC1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030592044	0	55	0.0	-65.75	421.29	5.64	-60.11
CC1(O)CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030592075	0	47	0.0	-62.41	370.89	0.04	-62.37
CC1(O)CC[N@@H+](CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030592075	1	47	0.0	-60.62	370.49	0.03	-60.59
C[NH+](C)CC=CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030592085	0	43	0.0	-68.04	353.20	2.62	-65.42
CC(OCC[NH+](C)C)C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030592107	0	49	0.0	-65.96	389.07	3.41	-62.55
C[NH+](C)CCOCCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030592119	0	49	0.0	-64.02	391.11	2.42	-61.60
COCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030592120	1	46	0.0	-62.76	364.65	1.46	-61.30
COCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030592120	1	46	0.0	-63.25	366.31	1.20	-62.05
COCCCC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030592152	0	55	0.0	-67.26	431.06	3.44	-63.82
COCCCC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030592152	1	55	0.0	-67.46	431.06	3.43	-64.03
CC(CCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030592177	0	48	0.0	-66.15	367.63	3.36	-62.79
CC[N@@H+]1CCC1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030592188	1	43	0.0	-58.49	338.14	2.47	-56.02
CC[N@H+]1CCC1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030592188	1	43	0.0	-60.51	346.33	2.66	-57.85
CC(C)[N@@H+]1CCCC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030592203	0	52	0.0	-61.87	393.38	4.41	-57.46
CC(C)[N@H+]1CCCC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030592203	1	52	0.0	-60.77	393.39	4.43	-56.34
CN1C=C[NH+]=C1N1CCC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030592204	1	50	0.0	-60.27	395.37	4.25	-56.02
CC(C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[N@H+](C)CC1=CC=CC=C1	REAL300030592210	0	52	0.0	-62.75	409.43	5.62	-57.13
CC(C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[N@@H+](C)CC1=CC=CC=C1	REAL300030592210	1	52	0.0	-61.22	410.87	5.33	-55.89
O=C(C[N@H+]1CCCC1CO)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030592219	0	47	0.0	-59.39	369.15	0.18	-59.21
O=C(C[N@@H+]1CCCC1CO)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030592219	1	47	0.0	-60.38	360.33	0.18	-60.20
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@@H+]2C1	REAL300030592245	0	50	0.0	-61.59	382.12	4.28	-57.31
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2CCCC[N@H+]2C1	REAL300030592245	1	50	0.0	-64.66	382.00	4.32	-60.34
C[NH+](C)CC1=CNC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030592257	0	47	0.0	-68.29	382.35	2.62	-65.67
CC(C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC(O)CC1	REAL300030592274	1	50	0.0	-63.64	385.36	0.53	-63.11
C#CC1(O)CC[NH+](C(C)C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030592283	1	52	0.0	-62.12	408.25	1.49	-60.63
C=CCC(C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030592293	0	46	0.0	-59.56	359.58	2.86	-56.70
C[NH+](C)C12CCC(C(=O)N[C@@H]3[C@H]4C[C@@H]3N(C(=O)C3=CC(=O)[N-]O3)C4)(CC1)CC2	REAL300030592302	0	56	0.0	-67.69	404.35	4.84	-62.85
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030592308	0	49	0.0	-63.98	374.10	3.29	-60.69
C[N@H+]1CC(C)(C)CC1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030592308	1	49	0.0	-56.30	374.58	3.24	-53.06
C[NH+](C)CCCCCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030592313	0	51	0.0	-68.16	401.15	4.55	-63.61
O=C(C[NH+]1CC2CC2C1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030592325	0	44	0.0	-61.07	349.89	3.48	-57.59
CC1C[N@@H+](C2CCC2C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CCO1	REAL300030592342	0	54	0.0	-53.80	400.13	3.58	-50.22
CC1C[N@H+](C2CCC2C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CCO1	REAL300030592342	1	54	0.0	-59.95	411.64	3.46	-56.49
CC1C[N@@H+]2CCN1C(C(=O)N[C@@H]1[C@H]3C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030592367	0	49	0.0	-57.88	367.63	0.64	-57.24
CC1C[N@H+]2CCN1C(C(=O)N[C@@H]1[C@H]3C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030592367	1	49	0.0	-67.79	362.06	0.99	-66.80
CCCC(C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030592369	0	48	0.0	-64.62	368.60	3.54	-61.08
CC[NH+](CC)CCSCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030592418	0	52	0.0	-67.59	412.43	4.65	-62.94
C[N@@H+]1CCCCC1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030592427	0	46	0.0	-56.54	356.47	3.23	-53.31
C[N@H+]1CCCCC1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030592427	1	46	0.0	-61.23	348.34	2.79	-58.44
C[N@H+]1CC=C(CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030592481	0	47	0.0	-66.78	373.52	3.94	-62.84
C[N@@H+]1CC=C(CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030592481	1	47	0.0	-66.06	373.59	3.93	-62.13
O=C(CC1([NH+]2CCCC2)CC1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030592492	0	50	0.0	-60.41	380.48	4.38	-56.03
CN(C)CC1=CC=C(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030592551	0	46	0.0	-69.09	379.06	3.42	-65.67
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030592551	1	46	0.0	-69.09	379.06	3.42	-65.67
O=C(C=CC[NH+]1CCCC1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030592572	0	47	0.0	-66.52	376.88	3.69	-62.83
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[NH+](C2CC2)CC1	REAL300030592599	0	50	0.0	-66.70	385.39	4.23	-62.47
C[N@@H+]1CC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C(C(F)(F)F)C1	REAL300030592618	0	46	0.0	-75.97	373.28	2.86	-73.11
C[N@H+]1CC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C(C(F)(F)F)C1	REAL300030592618	1	46	0.0	-75.97	373.28	2.86	-73.11
O=C(CC[NH+]1CCCC1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030592623	0	46	0.0	-64.73	364.63	3.12	-61.61
CN1CC(N2CC(C(=O)N[C@@H]3[C@H]4C[C@@H]3N(C(=O)C3=CC(=O)[N-]O3)C4)CC2=O)C1	REAL300030592633	0	51	0.0	-68.29	402.96	2.33	-65.96
C[NH+]1CC(N2CC(C(=O)N[C@@H]3[C@H]4C[C@@H]3N(C(=O)C3=CC(=O)[N-]O3)C4)CC2=O)C1	REAL300030592633	1	51	0.0	-68.29	402.96	2.33	-65.96
CC1=C(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C=NN1CC[NH+](C)C	REAL300030592697	0	52	0.0	-77.86	415.20	3.65	-74.21
O=C(C[N@@H+]1CC2CCC1C2)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030592700	0	47	0.0	-58.89	361.26	3.72	-55.17
CC(C)[NH+]1CCC(CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030592716	0	55	0.0	-62.26	408.37	4.94	-57.32
O=C(C=C1C[NH+]2CCC1CC2)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030592765	0	48	0.0	-66.44	372.31	3.75	-62.69
O=C(CN1CC2C=CC1C2)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030592776	0	45	0.0	-62.34	354.93	3.22	-59.12
O=C(C[N@@H+]1CC2C=CC1C2)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030592776	1	45	0.0	-58.40	353.26	3.49	-54.91
O=C(C[N@H+]1CC2C=CC1C2)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030592776	1	45	0.0	-58.40	353.26	3.49	-54.91
C[NH+](C)CC(C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300030592808	0	52	0.0	-61.14	411.55	5.43	-55.71
CC(C[NH+](C)C)C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030592833	0	45	0.0	-64.98	352.92	2.92	-62.06
C[N@@H+]1CCCCC1CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030592930	0	49	0.0	-55.09	366.30	3.67	-51.42
C[N@H+]1CCCCC1CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030592930	1	49	0.0	-62.94	373.61	3.81	-59.13
CC1=C2C=C(C(=O)N[C@@H]3[C@H]4C[C@@H]3N(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300030592948	1	44	0.0	-65.17	366.84	5.70	-59.47
CC(C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CC(C)C1	REAL300030592949	1	46	0.0	-59.08	363.24	3.31	-55.77
CC1CC[N@@H+]1CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030592953	1	43	0.0	-62.46	342.21	2.14	-60.32
CC1CC[N@H+]1CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030592953	1	43	0.0	-59.55	345.84	2.71	-56.84
C[NH+](C)CC(O)CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030592957	0	46	0.0	-68.18	366.89	0.65	-67.53
CC1C[N@H+](C)CC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030592991	1	47	0.0	-62.42	372.93	2.80	-59.62
CC1C[N@@H+](C)CC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030592991	1	47	0.0	-63.09	365.72	2.37	-60.72
O=C(CC[NH+]1CCC(O)CC1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030593004	0	50	0.0	-68.62	391.40	0.47	-68.15
CCC[N@@H+]1CCCCC1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030593007	0	52	0.0	-63.05	388.14	4.20	-58.85
CCC[N@H+]1CCCCC1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030593007	1	52	0.0	-58.08	386.32	4.46	-53.62
CC[NH+]1CCN(CCC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030593011	0	54	0.0	-68.10	414.78	1.99	-66.11
CCN1CC[NH+](CCC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030593011	1	54	0.0	-63.72	412.90	2.28	-61.44
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300030593014	0	53	0.0	-61.92	384.85	4.40	-57.52
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300030593014	1	53	0.0	-61.29	389.02	5.10	-56.19
CC(C)C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030593063	0	55	0.0	-65.51	415.44	5.38	-60.13
C[NH+](C)C1CCN(CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030593084	0	54	0.0	-67.71	408.07	2.35	-65.36
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030593107	0	46	0.0	-68.24	364.21	3.35	-64.89
CC(CC[NH+](C)C)C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030593117	0	48	0.0	-65.77	374.53	3.54	-62.23
C[N@H+](CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300030593149	0	50	0.0	-59.65	385.44	0.94	-58.71
C[N@@H+](CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300030593149	1	50	0.0	-61.17	385.20	0.83	-60.34
C[NH+](C)C(CC1=CC=CC=C1)C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030593162	0	52	0.0	-62.10	407.93	6.25	-55.85
C[NH+]1CCN(CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030593164	1	48	0.0	-65.69	373.31	1.13	-64.56
CC[NH+]1CCN(CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030593175	0	51	0.0	-64.38	390.79	1.78	-62.60
NC(=[NH2+])SCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030593201	0	37	0.0	-63.29	322.83	-1.50	-64.79
CC[N@@H+]1CCOCC1CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030593249	0	50	0.0	-63.47	382.09	2.14	-61.33
CC1CCCC(C)[NH+]1CCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030593267	0	55	0.0	-60.20	404.96	4.73	-55.47
C[NH+](C)C1CCC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030593270	0	52	0.0	-67.67	393.07	4.46	-63.21
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030593274	0	52	0.0	-68.95	386.64	4.31	-64.64
C[N@@H+]1CC=CCC1CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030593275	0	47	0.0	-63.28	365.96	3.67	-59.61
C[N@H+]1CC=CCC1CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030593275	1	47	0.0	-63.28	365.96	3.67	-59.61
C[C@@H](OCC[NH+](C)C)C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030593304	0	49	0.0	-67.53	390.15	3.35	-64.18
C[NH+]1C2CCC1CC(C(=O)N[C@@H]1[C@H]3C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030593339	0	50	0.0	-65.53	374.40	3.85	-61.68
C[NH+]1CCC(O)(C2(C(=O)N[C@@H]3[C@H]4C[C@@H]3N(C(=O)C3=CC(=O)[N-]O3)C4)CC2)CC1	REAL300030593447	0	54	0.0	-67.11	405.06	2.50	-64.61
CC(C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCSCC1	REAL300030593492	1	47	0.0	-62.81	373.43	3.62	-59.19
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1C[NH+](C2CCOCC2)C1	REAL300030593496	0	51	0.0	-67.33	397.48	2.58	-64.75
C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030593507	1	43	0.0	-56.98	334.59	2.20	-54.78
O=C(CC[N@@H+]1CCC(F)C1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030593516	1	46	0.0	-66.42	370.47	3.21	-63.21
O=C(CC[NH+]1CCCCCC1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030593539	0	52	0.0	-63.45	388.49	4.25	-59.20
O=C(C[NH+]1CCCCC1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030593543	0	46	0.0	-60.70	356.02	3.50	-57.20
CC1C(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030593551	0	46	0.0	-67.32	358.02	2.84	-64.48
CC1C(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030593551	1	46	0.0	-59.98	356.49	3.12	-56.86
C[N@@H+]1CCCCC1CCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030593554	0	52	0.0	-64.90	397.01	4.27	-60.63
C[N@H+]1CCCCC1CCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030593554	1	52	0.0	-65.04	395.59	4.56	-60.48
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@@H+]2CCOCC12	REAL300030593590	0	48	0.0	-63.24	369.22	1.92	-61.32
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC[N@H+]2CCOCC12	REAL300030593590	1	48	0.0	-62.81	373.44	1.90	-60.91
CC1=[NH+]C=C2C=CC(C(=O)N[C@@H]3[C@H]4C[C@@H]3N(C(=O)C3=CC(=O)[N-]O3)C4)=CN21	REAL300030593598	0	44	0.0	-63.33	367.56	4.65	-58.68
CN1CCOCC1CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030593619	0	47	0.0	-66.19	365.12	1.45	-64.74
C[N@@H+]1CCOCC1CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030593619	1	47	0.0	-57.81	357.64	1.31	-56.50
C[N@H+]1CCOCC1CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030593619	1	47	0.0	-66.19	365.12	1.45	-64.74
CC1=C(C)[NH+]=C(CCC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300030593631	1	47	0.0	-58.68	384.80	2.91	-55.77
C[NH+](C)CCC1=CC=CC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030593641	0	52	0.0	-71.87	415.13	5.97	-65.90
CC(C)C[N@@H+]1CCCC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030593648	0	55	0.0	-62.74	415.40	5.34	-57.40
CC(C)C[N@H+]1CCCC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030593648	1	55	0.0	-58.51	409.12	5.53	-52.98
C[N@@H+]1CCCC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030593804	0	43	0.0	-62.84	341.24	2.57	-60.27
C[N@H+]1CCCC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030593804	1	43	0.0	-65.43	336.51	2.69	-62.74
CC1=[NH+]C=CN1CCCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030594002	1	47	0.0	-63.68	389.51	4.65	-59.03
O=C(CCCC[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030594006	1	53	0.0	-71.31	416.78	3.35	-67.96
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300030594012	0	49	0.0	-78.26	389.03	4.76	-73.50
O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030594013	1	47	0.0	-70.40	374.03	1.77	-68.63
C[NH+](C)C(C)(C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030594035	0	52	0.0	-70.36	386.80	4.86	-65.50
CCC[NH+](CCC)CCCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030594043	0	57	0.0	-66.81	435.14	6.08	-60.73
CC[N@H+](C)C(C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030594044	0	52	0.0	-57.43	409.53	5.72	-51.71
CC[N@@H+](C)C(C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030594044	1	52	0.0	-64.82	407.86	6.14	-58.68
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C13CCC[NH+]1CCC3)C2)C1=CC(=O)[N-]O1	REAL300030594065	0	47	0.0	-61.88	357.28	3.14	-58.74
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC3=C[NH+]=CN3C=C1)C2)C1=CC(=O)[N-]O1	REAL300030594085	1	41	0.0	-77.36	340.95	4.80	-72.56
C[NH+](C)C1CCCC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030594175	0	52	0.0	-73.45	395.42	4.85	-68.60
C[N@@H+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030594182	0	46	0.0	-67.22	365.55	3.32	-63.90
C[N@H+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030594182	1	46	0.0	-69.42	365.37	3.31	-66.11
CN(C)C1=CC=[NH+]C=C1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030594196	0	45	0.0	-71.51	362.26	2.40	-69.11
CCC(C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030594202	0	45	0.0	-63.84	349.15	3.29	-60.55
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=NN(C3=CC=[NH+]C=C3)C=C1)C2)C1=CC(=O)[N-]O1	REAL300030594212	1	44	0.0	-83.08	375.28	2.99	-80.09
CC1CC2CCC(C(=O)N3C[C@@H]4C[C@H]3[C@@H]4NC(=O)C3=CC(=O)[N-]O3)C[N@@H+]2C1	REAL300030594269	0	53	0.0	-67.74	405.88	4.97	-62.77
CC1CC2CCC(C(=O)N3C[C@@H]4C[C@H]3[C@@H]4NC(=O)C3=CC(=O)[N-]O3)C[N@H+]2C1	REAL300030594269	1	53	0.0	-55.45	398.05	5.43	-50.02
C[NH+](C)CCCCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030594309	0	48	0.0	-69.34	384.12	3.89	-65.45
CC(C)C(C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030594336	0	48	0.0	-60.28	361.04	3.86	-56.42
CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030594338	0	48	0.0	-66.41	378.64	4.11	-62.30
CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030594338	1	48	0.0	-66.08	378.64	4.12	-61.96
CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030594345	0	45	0.0	-63.24	356.54	3.58	-59.66
CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030594345	1	45	0.0	-63.59	356.54	3.58	-60.01
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C13CC[N@H+](C1)CCC3)C2)C1=CC(=O)[N-]O1	REAL300030594378	0	47	0.0	-66.65	352.96	2.65	-64.00
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C13CC[N@@H+](C1)CCC3)C2)C1=CC(=O)[N-]O1	REAL300030594378	1	47	0.0	-68.94	352.57	2.63	-66.31
CCCCCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030594434	0	54	0.0	-64.32	421.03	5.92	-58.40
CCCCCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030594434	1	54	0.0	-64.65	421.03	5.92	-58.73
CC[NH+](CC)C(C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300030594446	0	54	0.0	-57.25	389.90	4.61	-52.64
CC1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030594494	0	49	0.0	-64.80	381.86	4.21	-60.59
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CN(C3=CC=[NH+]C=C3)N=C1)C2)C1=CC(=O)[N-]O1	REAL300030594528	1	44	0.0	-77.71	370.62	2.82	-74.89
C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030594538	0	50	0.0	-71.03	397.03	4.35	-66.68
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1CC3CCCC[N@@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300030594614	0	50	0.0	-62.71	381.40	4.74	-57.97
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1CC3CCCC[N@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300030594614	1	50	0.0	-61.23	381.38	4.73	-56.50
C[NH+](C)CC1(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030594635	0	46	0.0	-71.90	365.60	3.27	-68.63
CC1=[NH+]C=C2CCC(C(=O)N3C[C@@H]4C[C@H]3[C@@H]4NC(=O)C3=CC(=O)[N-]O3)CN21	REAL300030594636	1	48	0.0	-65.35	384.27	4.68	-60.67
CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030594649	0	52	0.0	-65.52	397.93	4.47	-61.05
CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030594689	0	45	0.0	-65.78	357.14	3.37	-62.41
CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030594689	1	45	0.0	-65.44	357.14	3.38	-62.06
CC(C)(C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300030594732	0	52	0.0	-58.93	376.56	4.24	-54.69
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1CC[N@@H+](C3CCCCC3)C1)C2)C1=CC(=O)[N-]O1	REAL300030594735	0	56	0.0	-61.49	419.53	5.91	-55.58
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1CC[N@H+](C3CCCCC3)C1)C2)C1=CC(=O)[N-]O1	REAL300030594735	1	56	0.0	-65.49	419.05	5.86	-59.63
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1C[NH+]3CCC1CC3)C2)C1=CC(=O)[N-]O1	REAL300030594753	0	47	0.0	-74.46	354.87	3.74	-70.72
C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030594858	0	46	0.0	-70.26	362.29	3.73	-66.53
CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030594881	0	48	0.0	-58.48	360.97	3.69	-54.79
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1CC[NH+](CC3CC3)CC1)C2)C1=CC(=O)[N-]O1	REAL300030594989	0	53	0.0	-69.86	408.72	5.66	-64.20
CC[NH+](CC)CC(F)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030595043	0	48	0.0	-70.57	372.59	3.67	-66.90
C[NH+](C)CC1=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)SC=C1	REAL300030595044	0	46	0.0	-53.87	377.29	4.04	-49.83
CC(C)C[N@@H+]1CCC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030595094	0	52	0.0	-61.45	398.81	5.05	-56.40
CC(C)C[N@H+]1CCC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030595094	1	52	0.0	-65.23	399.06	5.04	-60.19
C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300030595098	0	46	0.0	-60.68	342.53	2.82	-57.86
CCC(C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300030595140	0	51	0.0	-60.21	380.33	4.31	-55.90
CC1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030595173	0	46	0.0	-60.93	355.72	3.51	-57.42
CC1CCC[N@H+]1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030595173	1	46	0.0	-63.17	363.34	3.52	-59.65
CC(C)C1=[NH+]C=CN1CCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030595286	1	50	0.0	-59.87	402.19	5.28	-54.59
CC(C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300030595294	0	52	0.0	-60.97	387.94	4.10	-56.87
CC(C)[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030595297	0	52	0.0	-58.81	379.96	4.38	-54.43
CC(C)[N@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030595297	1	52	0.0	-57.26	390.78	4.23	-53.03
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030595333	0	49	0.0	-61.62	374.11	3.70	-57.92
CC(C)[N@H+]1CCCC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030595333	1	49	0.0	-58.96	373.02	4.11	-54.85
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1CCC[N@@H+]1C1CCOCC1)C2)C1=CC(=O)[N-]O1	REAL300030595342	0	54	0.0	-67.77	401.55	3.59	-64.18
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1CCC[N@H+]1C1CCOCC1)C2)C1=CC(=O)[N-]O1	REAL300030595342	1	54	0.0	-65.63	388.03	3.20	-62.43
C[NH+](C)C(CN1C=CC=N1)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030595344	1	49	0.0	-59.89	388.48	3.31	-56.58
CC(C)[N@@H+]1CCCC1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030595351	0	52	0.0	-61.87	390.01	3.87	-58.00
CC(C)[N@H+]1CCCC1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030595351	1	52	0.0	-54.64	387.06	4.27	-50.37
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1CCC[N@@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300030595352	0	53	0.0	-66.33	395.70	5.31	-61.02
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1CCC[N@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300030595352	1	53	0.0	-62.63	385.66	4.87	-57.76
CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030595382	0	48	0.0	-68.11	360.33	3.65	-64.46
CC1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030595420	0	46	0.0	-64.12	364.78	3.47	-60.65
CC1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030595420	1	46	0.0	-62.21	363.24	3.96	-58.25
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030595421	0	52	0.0	-55.06	395.31	4.30	-50.76
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030595421	1	52	0.0	-65.38	395.34	3.85	-61.53
CC1=[NH+]C=C2CC(C(=O)N3C[C@@H]4C[C@H]3[C@@H]4NC(=O)C3=CC(=O)[N-]O3)CCN21	REAL300030595423	1	48	0.0	-64.38	381.61	4.66	-59.72
C[NH+](C)CCC1=CC=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300030595425	0	52	0.0	-79.77	411.53	5.61	-74.16
CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030595427	0	49	0.0	-62.38	382.54	4.39	-57.99
CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030595427	1	49	0.0	-62.69	382.88	4.41	-58.28
C[N@H+](CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030595428	0	51	0.0	-62.35	386.93	4.66	-57.69
C[N@@H+](CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030595428	1	51	0.0	-63.41	387.65	4.77	-58.64
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030595429	0	52	0.0	-67.42	416.65	6.62	-60.80
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030595429	1	52	0.0	-67.04	416.44	6.61	-60.43
CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030595441	0	45	0.0	-63.83	346.42	3.06	-60.77
CC(COCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCC1	REAL300030595449	0	53	0.0	-61.52	415.60	4.95	-56.57
C[N@@H+]1C[C@H](C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)[C@@H](C2=CC=CC=C2)C1	REAL300030595463	0	53	0.0	-80.58	417.57	6.22	-74.36
C[N@H+]1C[C@H](C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)[C@@H](C2=CC=CC=C2)C1	REAL300030595463	1	53	0.0	-78.97	417.34	5.86	-73.11
CN(CCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)C1=CC=[NH+]C=C1	REAL300030595636	0	48	0.0	-66.19	391.52	3.82	-62.37
CC1=[NH+]C=CN1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030595778	1	41	0.0	-60.96	348.69	3.28	-57.68
CC(C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030595780	1	50	0.0	-71.05	391.00	2.34	-68.71
O=C(CCC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030595803	0	52	0.0	-64.91	402.87	5.45	-59.46
C[NH+](C)CC1=CC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)=NO1	REAL300030595829	1	45	0.0	-74.01	372.40	2.76	-71.25
CC1=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300030595831	0	44	0.0	-71.12	371.50	5.40	-65.72
CC(C)C1=[NH+]C=CN1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030595895	1	47	0.0	-60.38	384.96	4.40	-55.98
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1CCCC3CCC[N@@H+]31)C2)C1=CC(=O)[N-]O1	REAL300030595960	0	50	0.0	-61.00	365.72	4.38	-56.62
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1CCCC3CCC[N@H+]31)C2)C1=CC(=O)[N-]O1	REAL300030595960	1	50	0.0	-61.78	371.03	3.94	-57.84
CC[N@@H+]1CCOC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030596009	1	47	0.0	-73.05	360.15	2.84	-70.21
CC[N@H+]1CCOC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030596009	1	47	0.0	-76.53	367.05	3.02	-73.51
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CN3C=[NH+]C=C3C=C1)C2)C1=CC(=O)[N-]O1	REAL300030596103	0	41	0.0	-71.56	340.64	4.79	-66.77
CC1=C[NH+]=CN1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030596108	1	41	0.0	-65.66	346.58	4.45	-61.21
C[NH+](C)CCN1C=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C=N1	REAL300030596114	0	49	0.0	-77.04	395.63	2.88	-74.16
C[NH+](C)CCN1C=CC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)=N1	REAL300030596131	0	49	0.0	-83.48	400.27	3.05	-80.43
C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030596139	0	46	0.0	-69.25	353.82	3.40	-65.85
C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030596139	1	46	0.0	-69.01	359.61	3.37	-65.64
CCC1=[NH+]C=CN1C(C)CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030596143	1	50	0.0	-60.27	405.09	4.94	-55.33
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030596146	0	49	0.0	-68.27	370.71	3.69	-64.58
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030596146	1	49	0.0	-68.57	378.01	3.61	-64.96
CC1CCC(C)[NH+]1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030596178	0	49	0.0	-61.53	376.44	3.81	-57.72
O=C(CCC[NH+]1CCCC1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030596189	0	49	0.0	-65.00	386.17	4.68	-60.32
C[NH+](C)CC1=CC=CC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030596190	0	49	0.0	-71.75	388.90	4.77	-66.98
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030596201	0	48	0.0	-72.98	386.12	4.87	-68.11
O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030596203	0	49	0.0	-66.04	383.27	4.18	-61.86
C[NH+](C)CC1=CC=CC=C1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030596208	0	49	0.0	-65.67	388.35	5.26	-60.41
CC[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030596220	0	49	0.0	-59.52	364.94	3.47	-56.05
CC[N@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030596220	1	49	0.0	-59.31	377.54	3.93	-55.38
CC(C)C(C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300030596221	0	55	0.0	-58.24	405.07	5.14	-53.10
C[NH+](C)C(C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030596225	1	49	0.0	-66.95	386.56	5.37	-61.58
O=C(CN1C=[NH+]C2=C1CCCC2)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030596235	1	48	0.0	-65.48	388.36	6.18	-59.30
C[NH+](C)CC1(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL300030596284	0	55	0.0	-77.10	391.79	4.91	-72.19
C[NH+](C)CCC1=CC=CC=C1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030596285	0	52	0.0	-63.43	407.62	6.02	-57.41
C[N@H+](CCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300030596292	0	55	0.0	-67.66	417.68	5.36	-62.30
C[N@@H+](CCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300030596292	1	55	0.0	-66.76	417.67	5.34	-61.42
C[NH+](C)C1(CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300030596296	0	52	0.0	-68.65	382.34	4.18	-64.47
C[N@@H+]1CCCC1C1=CC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)=NN1	REAL300030596313	1	50	0.0	-77.57	394.50	2.48	-75.09
C[N@H+]1CCCC1C1=CC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)=NN1	REAL300030596313	1	50	0.0	-74.21	395.74	2.24	-71.97
C[N@H+](CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030596588	0	46	0.0	-61.04	363.14	4.13	-56.91
C[N@@H+](CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030596588	1	46	0.0	-64.05	364.74	3.74	-60.31
CC(C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300030596630	0	52	0.0	-59.37	386.87	3.85	-55.52
CC[NH+](CC)CC1=CC=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)O1	REAL300030596647	0	52	0.0	-75.01	410.10	4.60	-70.41
O=C(CCCC[NH+]1CCCC1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030596652	0	52	0.0	-67.97	410.09	5.07	-62.90
C[N@H+](CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300030596655	1	49	0.0	-67.18	393.70	5.74	-61.44
C[N@@H+](CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300030596655	1	49	0.0	-67.37	394.22	5.79	-61.58
C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030596673	0	46	0.0	-70.26	362.29	3.73	-66.53
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030596759	0	43	0.0	-58.43	336.29	2.64	-55.79
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030596759	1	43	0.0	-60.13	338.37	3.01	-57.12
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030596782	1	45	0.0	-63.76	364.56	3.43	-60.33
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030596782	1	45	0.0	-63.02	368.35	3.87	-59.15
C[N@@H+]1CCCC1CCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030596794	0	49	0.0	-64.61	378.46	4.12	-60.49
C[N@H+]1CCCC1CCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030596794	1	49	0.0	-66.49	380.85	3.79	-62.70
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C13CCC[NH+](CCC1)C3)C2)C1=CC(=O)[N-]O1	REAL300030596812	0	50	0.0	-65.51	364.92	3.82	-61.69
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1CCC3CCCC[N@@H+]31)C2)C1=CC(=O)[N-]O1	REAL300030596820	0	50	0.0	-57.78	382.08	4.97	-52.81
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1CCC3CCCC[N@H+]31)C2)C1=CC(=O)[N-]O1	REAL300030596820	1	50	0.0	-59.88	381.23	4.92	-54.96
CCC[N@@H+]1CCCC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030596938	0	52	0.0	-65.35	402.73	4.65	-60.70
CCC[N@H+]1CCCC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030596938	1	52	0.0	-66.02	401.25	5.07	-60.95
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1CCCC[N@@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300030596951	0	56	0.0	-65.81	399.43	6.08	-59.73
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1CCCC[N@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300030596951	1	56	0.0	-60.67	405.50	5.73	-54.94
CC(C)[N@@H+]1CCOC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030596964	1	50	0.0	-70.24	377.15	3.42	-66.82
CC(C)[N@H+]1CCOC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030596964	1	50	0.0	-75.35	385.82	3.17	-72.18
CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030596988	0	53	0.0	-68.41	388.50	2.66	-65.75
C[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030597011	0	46	0.0	-63.39	358.03	3.66	-59.73
C[N@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030597011	1	46	0.0	-57.11	358.39	3.65	-53.46
CC(C)C[N@@H+]1CCCC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030597049	0	52	0.0	-59.95	394.17	4.69	-55.26
CC(C)C[N@H+]1CCCC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030597049	1	52	0.0	-64.07	388.70	5.35	-58.72
O=C(C[NH+]1CCC(CO)CC1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030597072	0	50	0.0	-68.58	392.33	0.90	-67.68
C[NH+]1C2CCC1CC(=CC(=O)N1C[C@@H]3C[C@H]1[C@@H]3NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030597121	0	51	0.0	-68.99	388.62	4.65	-64.34
CC1C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030597143	0	46	0.0	-64.05	361.37	2.97	-61.08
CC1C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030597143	1	46	0.0	-67.30	360.28	3.38	-63.92
C[N@@H+]1CCCCC1CCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030597147	0	52	0.0	-66.44	392.72	4.49	-61.95
C[N@H+]1CCCCC1CCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030597147	1	52	0.0	-63.63	397.82	5.04	-58.59
NC1=[NH+]C2=C(C=C1C(=O)N1C[C@@H]3C[C@H]1[C@@H]3NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030597194	1	46	0.0	-56.89	370.20	2.95	-53.94
CC(C)(C)[N@@H+]1CCC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030597292	0	49	0.0	-63.12	356.28	3.24	-59.88
CC(C)(C)[N@H+]1CCC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030597292	1	49	0.0	-63.21	380.05	3.45	-59.76
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1CCN(C3=CC=[NH+]C=C3)C1)C2)C1=CC(=O)[N-]O1	REAL300030597314	0	49	0.0	-67.25	389.36	2.46	-64.79
C[C@@H](C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030597320	0	42	0.0	-63.95	334.80	2.47	-61.48
C[NH+](C)CC1=CC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)=CC=N1	REAL300030597343	1	48	0.0	-66.45	385.40	2.93	-63.52
C=CCC(C)(C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030597349	0	49	0.0	-57.22	364.56	3.84	-53.38
CC[NH+](CC)CCSCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030597388	0	52	0.0	-68.80	415.61	5.25	-63.55
NC1=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C=[NH+]C2=CC=CC=C21	REAL300030597389	1	45	0.0	-56.95	369.21	1.93	-55.02
O=C(CC[NH+]1CCCC1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030597394	0	46	0.0	-64.74	364.70	3.84	-60.90
C[N@H+](CCO)CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030597404	1	43	0.0	-65.19	345.39	-0.40	-65.59
C[N@@H+](CCO)CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030597404	1	43	0.0	-62.92	345.18	-0.40	-63.32
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1C[N@@H+]3CCN1CCC3)C2)C1=CC(=O)[N-]O1	REAL300030597455	0	49	0.0	-78.67	359.92	1.61	-77.06
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1C[N@H+]3CCN1CCC3)C2)C1=CC(=O)[N-]O1	REAL300030597455	1	49	0.0	-75.14	365.03	1.43	-73.71
CC(C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300030597503	1	47	0.0	-64.62	376.90	3.67	-60.95
C[N@H+]1CC=C(CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030597564	0	47	0.0	-65.19	376.53	4.50	-60.69
C[N@@H+]1CC=C(CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030597564	1	47	0.0	-64.46	378.03	4.09	-60.37
C[NH+]1CC(N2CC(C(=O)N3C[C@@H]4C[C@H]3[C@@H]4NC(=O)C3=CC(=O)[N-]O3)CC2=O)C1	REAL300030597578	1	51	0.0	-68.04	402.90	2.71	-65.33
C[S+](C)CCC(O)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030597586	0	45	0.0	-61.57	377.05	1.60	-59.97
C[N@@H+]1CC(O)CC1(C)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030597620	0	47	0.0	-62.19	356.35	-0.20	-62.39
C[N@H+]1CC(O)CC1(C)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030597620	1	47	0.0	-61.90	358.66	-0.80	-62.70
CN1CC[N@H+](C)CC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030597639	0	51	0.0	-63.14	383.71	2.00	-61.14
CN1CC[N@@H+](C)CC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030597639	1	51	0.0	-72.18	389.27	1.73	-70.45
CC(C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300030597640	0	50	0.0	-64.33	387.21	0.82	-63.51
CC(C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)[N@H+]1CCCC(O)C1	REAL300030597640	1	50	0.0	-58.24	385.80	1.19	-57.05
NC1=[NH+]C=C2CCCC2=C1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030597678	0	46	0.0	-58.90	379.54	2.53	-56.37
C[N@@H+]1CCCC(O)(CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030597688	0	50	0.0	-63.41	384.51	2.64	-60.77
C[N@H+]1CCCC(O)(CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030597688	1	50	0.0	-56.95	387.09	2.49	-54.46
CC1C[NH+](CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030597695	1	43	0.0	-65.82	349.18	2.88	-62.94
CC[N@@H+]1CCCC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030597704	0	49	0.0	-63.25	369.33	4.32	-58.93
CC[N@H+]1CCCC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030597704	1	49	0.0	-59.40	370.84	3.92	-55.48
NC1=[NH+]C=CC=C1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030597721	0	42	0.0	-59.16	351.06	1.93	-57.23
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1CCC[N@@H+]1C1CC1)C2)C1=CC(=O)[N-]O1	REAL300030597737	0	47	0.0	-64.81	368.48	4.08	-60.73
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1CCC[N@H+]1C1CC1)C2)C1=CC(=O)[N-]O1	REAL300030597737	1	47	0.0	-58.15	363.14	3.86	-54.29
CC1C[N@@H+](C2CCC2C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030597774	0	54	0.0	-55.98	399.21	4.14	-51.84
CC1C[N@H+](C2CCC2C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030597774	1	54	0.0	-57.30	414.98	3.95	-53.35
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=C(C[NH+]3CCCC3)O1)C2)C1=CC(=O)[N-]O1	REAL300030597797	0	50	0.0	-78.18	405.79	4.38	-73.80
O=C(C=CC[NH+]1CCCC1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030597804	0	47	0.0	-72.77	377.83	4.14	-68.63
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1CC[NH+](C3CC3)CC1)C2)C1=CC(=O)[N-]O1	REAL300030597839	0	50	0.0	-67.50	386.97	4.45	-63.05
CC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030597902	0	42	0.0	-63.20	335.24	2.86	-60.34
O=C(CN1CC2C=CC1C2)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030597987	0	45	0.0	-59.28	356.03	4.02	-55.26
O=C(C[N@@H+]1CC2C=CC1C2)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030597987	1	45	0.0	-61.73	356.44	4.11	-57.62
O=C(C[N@H+]1CC2C=CC1C2)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030597987	1	45	0.0	-61.73	356.44	4.11	-57.62
CC1=CC=C(NCCC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)N=C1	REAL300030598014	0	48	0.0	-62.93	397.37	3.16	-59.77
CC1=CC=C(NCCC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)[NH+]=C1	REAL300030598014	1	48	0.0	-62.93	397.37	3.16	-59.77
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1(C[NH+]3CCCC3)CCCC1)C2)C1=CC(=O)[N-]O1	REAL300030598074	0	56	0.0	-74.49	402.71	5.70	-68.79
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C13CCC[N@@H+]1CCCC3)C2)C1=CC(=O)[N-]O1	REAL300030598177	0	50	0.0	-57.87	363.90	4.23	-53.64
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C13CCC[N@H+]1CCCC3)C2)C1=CC(=O)[N-]O1	REAL300030598177	1	50	0.0	-57.87	363.90	4.23	-53.64
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C13CCC[N@@H+]1CC=CC3)C2)C1=CC(=O)[N-]O1	REAL300030598189	0	48	0.0	-61.35	362.47	3.56	-57.79
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C13CCC[N@H+]1CC=CC3)C2)C1=CC(=O)[N-]O1	REAL300030598189	1	48	0.0	-61.35	362.47	3.56	-57.79
CC(OCC[NH+](C)C)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030598205	0	49	0.0	-66.15	389.05	3.80	-62.35
C[NH+](C)CCOCCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030598219	0	49	0.0	-67.09	394.13	2.97	-64.12
COCCN(C)CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030598221	0	46	0.0	-62.36	367.42	2.00	-60.36
COCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030598221	1	46	0.0	-65.44	367.64	1.99	-63.45
COCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030598221	1	46	0.0	-65.44	367.64	1.99	-63.45
CC(CCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030598230	0	48	0.0	-69.84	370.69	3.89	-65.95
CC[N@H+](CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030598276	0	46	0.0	-61.14	362.82	4.14	-57.00
CC1C[N@@H+]2CCN1C(C(=O)N1C[C@@H]3C[C@H]1[C@@H]3NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030598297	0	49	0.0	-61.90	364.56	0.92	-60.98
C[N@@H+]1CC2CC1(C(=O)N1C[C@@H]3C[C@H]1[C@@H]3NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030598340	0	44	0.0	-69.18	344.45	2.92	-66.26
CC1=NC(N)=CC=C1C=CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030598354	0	46	0.0	-69.41	380.50	2.39	-67.02
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030598354	1	46	0.0	-69.41	380.50	2.39	-67.02
CC1=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C=NN1CC[NH+](C)C	REAL300030598361	0	52	0.0	-76.50	411.89	3.72	-72.78
O=C(C[N@@H+]1CC2CCC1C2)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030598364	0	47	0.0	-63.15	365.35	3.82	-59.33
O=C(C[N@H+]1CC2CCC1C2)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030598364	1	47	0.0	-63.15	365.35	3.82	-59.33
CC(C)[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030598385	0	55	0.0	-65.48	412.78	5.07	-60.41
CC(C[NH+](C)C)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030598402	0	45	0.0	-69.81	358.86	2.88	-66.93
C[N@@H+]1CC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C(C(F)(F)F)C1	REAL300030598421	0	46	0.0	-77.83	378.91	3.34	-74.49
C[N@H+]1CC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C(C(F)(F)F)C1	REAL300030598421	1	46	0.0	-77.83	378.91	3.34	-74.49
CCN1CCC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030598473	0	43	0.0	-62.88	348.95	3.14	-59.74
CC[N@@H+]1CCC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030598473	1	43	0.0	-62.91	348.94	3.17	-59.74
CC[N@H+]1CCC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030598473	1	43	0.0	-62.91	348.94	3.17	-59.74
CC(C)[N@@H+]1CCCC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030598494	0	52	0.0	-59.20	385.31	4.87	-54.33
CC(C)[N@H+]1CCCC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030598494	1	52	0.0	-59.20	385.31	4.87	-54.33
CN1C=CN=C1N1CCC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030598496	0	50	0.0	-61.13	395.30	4.45	-56.68
CN1C=C[NH+]=C1N1CCC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030598496	1	50	0.0	-61.13	395.30	4.45	-56.68
CCC(C)(C)[NH2+]C(C)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030598525	0	51	0.0	-62.31	381.94	2.41	-59.90
C#CCN1CCCCC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030598590	0	48	0.0	-64.35	372.43	4.02	-60.33
C#CC[N@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030598590	1	48	0.0	-60.49	370.85	4.45	-56.04
C#CC[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030598590	1	48	0.0	-60.49	370.85	4.45	-56.04
CNC1=NC(C)=CC=C1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030598594	0	45	0.0	-59.14	365.56	2.73	-56.41
CNC1=[NH+]C(C)=CC=C1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030598594	1	45	0.0	-59.14	365.56	2.73	-56.41
CCCC(C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030598613	0	48	0.0	-66.19	367.89	3.94	-62.25
C[NH+](C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030598623	0	45	0.0	-74.12	338.20	2.80	-71.32
CC(CC[NH+](C)C)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030598654	0	48	0.0	-68.85	376.83	3.84	-65.01
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)[C@@H]1CCC[N@@H+]3CCCC[C@H]13)C2)C1=CC(=O)[N-]O1	REAL300030598727	0	53	0.0	-60.63	392.04	5.48	-55.15
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)[C@@H]1CCC[N@H+]3CCCC[C@H]13)C2)C1=CC(=O)[N-]O1	REAL300030598727	1	53	0.0	-60.63	392.04	5.48	-55.15
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C13CC(C1)C[N@@H+]3C1CC1)C2)C1=CC(=O)[N-]O1	REAL300030598768	0	48	0.0	-60.80	373.50	3.83	-56.97
COCCCC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030598825	0	55	0.0	-69.71	433.81	3.98	-65.73
COCCCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030598825	1	55	0.0	-69.71	433.81	3.98	-65.73
C[NH+](C)C12CCC(C(=O)N3C[C@@H]4C[C@H]3[C@@H]4NC(=O)C3=CC(=O)[N-]O3)(CC1)CC2	REAL300030598831	0	56	0.0	-77.31	397.46	4.76	-72.55
C[N@@H+]1CC(C)(C)CC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030598840	0	49	0.0	-58.89	380.08	4.18	-54.71
C[N@H+]1CC(C)(C)CC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030598840	1	49	0.0	-58.89	380.08	4.18	-54.71
C[NH+](C)CCCCCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030598846	0	51	0.0	-67.90	403.92	5.07	-62.83
O=C(CC[NH+]1CCC(O)CC1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030598852	0	50	0.0	-68.94	394.35	0.83	-68.11
CCC[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030598858	0	52	0.0	-61.37	397.82	5.10	-56.27
CCC[N@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030598858	1	52	0.0	-64.01	386.42	4.21	-59.80
CC[NH+]1CCN(CCC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030598868	0	54	0.0	-65.16	415.21	2.82	-62.34
CCN1CC[NH+](CCC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030598868	1	54	0.0	-66.60	414.49	2.70	-63.90
C[NH+]1CCN(CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030598872	1	48	0.0	-68.58	377.52	1.22	-67.36
CC(C)C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030599030	0	55	0.0	-68.81	418.77	5.82	-62.99
CC1C[N@H+](C)CC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)O1	REAL300030599034	1	47	0.0	-78.44	363.76	3.09	-75.35
CC1C[N@@H+](C)CC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)O1	REAL300030599034	1	47	0.0	-78.58	363.76	2.76	-75.82
CCC1CCC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030599080	0	52	0.0	-64.62	399.91	4.85	-59.77
CCC1CCC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030599080	1	52	0.0	-65.30	399.47	4.86	-60.44
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)N1	REAL300030599092	0	47	0.0	-85.63	378.80	2.95	-82.68
O=C(C[NH+]1CC2CC2C1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030599118	0	44	0.0	-62.99	352.91	4.03	-58.96
O=C(CC1([NH+]2CCCC2)CC1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030599143	0	50	0.0	-63.06	384.61	4.49	-58.57
CC([NH2+]C1(CO)CCCC1)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030599169	0	53	0.0	-64.56	403.18	0.30	-64.26
C[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030599210	0	46	0.0	-63.39	358.03	3.66	-59.73
C[N@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030599210	1	46	0.0	-57.11	358.39	3.65	-53.46
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1CC[N@@H+]1CC1=CC=CC=C1)C2)C1=CC(=O)[N-]O1	REAL300030599219	1	50	0.0	-63.18	400.60	5.77	-57.41
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1CC[N@H+]1CC1=CC=CC=C1)C2)C1=CC(=O)[N-]O1	REAL300030599219	1	50	0.0	-67.74	410.44	5.71	-62.03
CC(C)C[N@@H+]1CCCC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030599226	0	55	0.0	-62.82	420.71	5.30	-57.52
CC(C)C[N@H+]1CCCC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030599226	1	55	0.0	-65.12	418.67	5.76	-59.36
C[NH+](C)C1CCN(CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030599312	0	54	0.0	-68.66	411.83	2.43	-66.23
C[N@@H+]1CCC(=CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030599405	0	44	0.0	-74.30	356.13	3.01	-71.29
C[N@H+]1CCC(=CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030599405	1	44	0.0	-72.68	353.86	3.31	-69.37
O=C(CNC1=CC=[NH+]C=C1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030599413	0	42	0.0	-65.07	352.76	1.42	-63.65
CC[NH+]1CCN(CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030599491	0	51	0.0	-66.97	396.06	1.91	-65.06
O=C(C=C1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030599496	0	48	0.0	-63.99	372.11	4.10	-59.89
C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300030599556	0	49	0.0	-58.15	353.91	2.97	-55.18
C[N@H+](CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300030599573	0	50	0.0	-61.11	389.11	1.13	-59.98
C[N@@H+](CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300030599573	1	50	0.0	-63.94	389.49	0.95	-62.99
CCC1C[NH+](CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030599581	0	46	0.0	-64.33	369.95	4.02	-60.31
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1C[NH+](C3CCOCC3)C1)C2)C1=CC(=O)[N-]O1	REAL300030599585	0	51	0.0	-69.05	401.72	2.69	-66.36
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1([NH+]3CCCC3)CCC1)C2)C1=CC(=O)[N-]O1	REAL300030599588	0	50	0.0	-62.95	364.87	3.91	-59.04
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030599606	0	43	0.0	-61.16	339.71	2.96	-58.20
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030599606	1	43	0.0	-65.82	336.08	2.63	-63.19
CCN1CCOCC1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030599651	0	50	0.0	-68.26	381.04	2.48	-65.78
CC[N@@H+]1CCOCC1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030599651	1	50	0.0	-67.84	385.50	2.63	-65.21
CC[N@H+]1CCOCC1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030599651	1	50	0.0	-67.84	385.50	2.63	-65.21
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)NC3=C1CCC[NH2+]3)C2)C1=CC(=O)[N-]O1	REAL300030599660	0	47	0.0	-91.85	384.23	1.59	-90.26
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1C[NH+](C3CCCCC3)C1)C2)C1=CC(=O)[N-]O1	REAL300030599685	0	53	0.0	-67.67	410.66	5.04	-62.63
COC1C[N@@H+]2CCCC2(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030599707	0	51	0.0	-62.14	389.22	2.15	-59.99
COC1C[N@H+]2CCCC2(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030599707	1	51	0.0	-62.14	389.22	2.15	-59.99
NC1=NC2=CC(C(=O)N3C[C@@H]4C[C@H]3[C@@H]4NC(=O)C3=CC(=O)[N-]O3)=CC=C2N1	REAL300030599790	0	43	0.0	-75.60	355.40	2.55	-73.05
NC1=[NH+]C2=CC(C(=O)N3C[C@@H]4C[C@H]3[C@@H]4NC(=O)C3=CC(=O)[N-]O3)=CC=C2N1	REAL300030599790	1	43	0.0	-75.60	355.40	2.55	-73.05
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030599853	0	46	0.0	-70.35	368.07	3.47	-66.88
C[NH+](C)CCC1(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300030599869	0	55	0.0	-53.95	409.46	4.79	-49.16
CC1CCCC(C)[NH+]1CCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030599871	0	55	0.0	-63.16	412.77	4.89	-58.27
C[NH+](C)C1CCC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030599874	0	52	0.0	-73.17	395.42	4.85	-68.32
C[NH+](C)CCC1(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030599875	0	49	0.0	-52.41	387.79	4.40	-48.01
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030599880	0	52	0.0	-54.93	384.62	4.55	-50.38
C[N@@H+]1CC=CCC1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030599881	0	47	0.0	-62.22	364.98	3.78	-58.44
C[N@H+]1CC=CCC1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030599881	1	47	0.0	-54.69	363.66	4.20	-50.49
CC1=CC(C=CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)=C[NH+]=C1N	REAL300030599961	1	46	0.0	-73.53	381.18	2.70	-70.83
C[NH+](C)CCOCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030599978	0	46	0.0	-63.27	372.91	3.25	-60.02
CCCCC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030599986	0	54	0.0	-67.27	421.63	5.67	-61.60
CCCCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030599986	1	54	0.0	-66.89	421.63	5.69	-61.20
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)O1	REAL300030600003	0	50	0.0	-66.03	393.86	4.11	-61.92
[NH2+]=C1SC=CN1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030600040	0	39	0.0	-62.16	346.35	1.90	-60.26
C[C@@H](OCC[NH+](C)C)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030600162	0	49	0.0	-59.92	388.13	3.72	-56.20
C[NH+]1CCC(O)(C2(C(=O)N3C[C@@H]4C[C@H]3[C@@H]4NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030600167	0	54	0.0	-78.83	406.61	2.14	-76.69
O=C(CC[NH+]1CCCCCC1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030600260	0	52	0.0	-67.37	391.40	4.79	-62.58
C[N@@H+]1CCCC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030600268	0	46	0.0	-60.44	353.63	3.26	-57.18
C[N@H+]1CCCC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030600268	1	46	0.0	-60.44	353.63	3.26	-57.18
O=C(C[NH+]1CCCCCC1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030600276	0	49	0.0	-64.45	372.15	4.14	-60.31
CN1C=C[N+](CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030600283	0	41	0.0	-63.99	350.48	5.16	-58.83
C[N@@H+]1CCCC(C(C)(C)C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030600306	0	55	0.0	-78.75	395.54	3.81	-74.94
C[N@H+]1CCCC(C(C)(C)C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030600306	1	55	0.0	-78.75	395.54	3.81	-74.94
CN(C)CC1=CC=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)O1	REAL300030600312	0	46	0.0	-77.04	378.80	3.52	-73.52
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)O1	REAL300030600312	1	46	0.0	-77.04	378.80	3.52	-73.52
O=C(CN1CCC(O)CC1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030600346	0	47	0.0	-67.88	369.60	0.63	-67.25
O=C(C[NH+]1CCC(O)CC1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030600346	1	47	0.0	-67.88	369.60	0.63	-67.25
C[N@H+](CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030600354	0	43	0.0	-61.56	346.80	3.58	-57.98
CC(C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)N1CCN(C)CC1	REAL300030600356	0	51	0.0	-69.55	394.46	2.13	-67.42
CC(C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300030600356	1	51	0.0	-69.55	394.46	2.13	-67.42
O=C(CC[N@H+]1CCC(F)C1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030600364	0	46	0.0	-68.51	371.75	4.06	-64.45
COC1C[N@H+](C)C(C)(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030600383	0	50	0.0	-57.69	375.22	2.27	-55.42
C[NH+](C)CCC1=CC=CC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030600406	0	52	0.0	-73.71	411.40	5.61	-68.10
CC(CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030600413	0	48	0.0	-66.01	374.07	4.19	-61.82
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1CC[N@@H+]3CCOCC13)C2)C1=CC(=O)[N-]O1	REAL300030600440	0	48	0.0	-72.09	375.21	1.85	-70.24
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1CC[N@H+]3CCOCC13)C2)C1=CC(=O)[N-]O1	REAL300030600440	1	48	0.0	-72.09	375.21	1.85	-70.24
CN1CCOCC1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030600475	0	47	0.0	-69.60	367.60	1.95	-67.65
C[N@@H+]1CCOCC1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030600475	1	47	0.0	-71.32	367.41	1.95	-69.37
C[N@H+]1CCOCC1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030600475	1	47	0.0	-71.32	367.41	1.95	-69.37
C[NH+](C)CC(C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030600487	0	52	0.0	-71.40	411.67	6.09	-65.31
CC1=CC(N)=NC=C1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030600576	0	42	0.0	-60.99	345.22	1.36	-59.63
CC1=CC(N)=[NH+]C=C1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030600576	1	42	0.0	-60.99	345.22	1.36	-59.63
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1(CC[NH+]3CCCCC3)CC1)C2)C1=CC(=O)[N-]O1	REAL300030600612	0	56	0.0	-73.57	429.45	6.31	-67.26
CC1(O)CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030600654	0	47	0.0	-66.60	374.98	0.14	-66.46
C[NH+](C)CCN1N=CC=C1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030600665	0	49	0.0	-60.99	392.09	3.31	-57.68
C[NH+]1CC(CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030600708	0	43	0.0	-67.11	348.82	3.04	-64.07
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1CC[N@@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300030600714	0	50	0.0	-64.68	389.33	4.57	-60.11
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1CC[N@H+]1C1CCCC1)C2)C1=CC(=O)[N-]O1	REAL300030600714	1	50	0.0	-64.68	389.33	4.57	-60.11
C[N@H+](CCO)CCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030600774	0	46	0.0	-66.79	369.35	-0.28	-67.07
C[N@@H+](CCO)CCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030600774	1	46	0.0	-66.79	369.35	-0.28	-67.07
C[N@@H+]1CCCCC1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030600803	0	49	0.0	-66.76	376.63	4.41	-62.35
C[N@H+]1CCCCC1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030600803	1	49	0.0	-66.76	376.63	4.41	-62.35
CC1=C2C=C(C(=O)N3C[C@@H]4C[C@H]3[C@@H]4NC(=O)C3=CC(=O)[N-]O3)C=CN2C=N1	REAL300030600838	0	44	0.0	-75.64	362.86	5.36	-70.28
CC1=C2C=C(C(=O)N3C[C@@H]4C[C@H]3[C@@H]4NC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030600838	1	44	0.0	-75.64	362.86	5.36	-70.28
CC1CCN1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030600845	0	43	0.0	-62.68	350.27	2.83	-59.85
CC1CC[N@@H+]1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030600845	1	43	0.0	-64.37	350.24	2.83	-61.54
CC1CC[N@H+]1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030600845	1	43	0.0	-64.37	350.24	2.83	-61.54
C[NH+](C)CC=CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030600866	0	43	0.0	-75.11	353.03	2.95	-72.16
CC1(C)C[NH+](CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030600884	1	46	0.0	-63.42	367.44	3.73	-59.69
O=C(CCCC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030600899	0	55	0.0	-66.08	424.31	6.19	-59.89
CC1=C(C)[NH+]=C(CCC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)N1	REAL300030600916	1	47	0.0	-59.65	387.28	3.44	-56.21
C[N@@H+]1CCC2=C(C1)SC(C(=O)N1C[C@@H]3C[C@H]1[C@@H]3NC(=O)C1=CC(=O)[N-]O1)=C2	REAL300030600917	1	47	0.0	-81.15	385.64	4.53	-76.62
C[N@H+]1CCC2=C(C1)SC(C(=O)N1C[C@@H]3C[C@H]1[C@@H]3NC(=O)C1=CC(=O)[N-]O1)=C2	REAL300030600917	1	47	0.0	-79.87	385.77	4.50	-75.37
C[NH+]1CCC(C2(C(=O)N3C[C@@H]4C[C@H]3[C@@H]4NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030600931	0	53	0.0	-74.56	403.73	5.32	-69.24
CC1=C2C=C(C(=O)N3C[C@@H]4C[C@H]3[C@@H]4NC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030600942	1	44	0.0	-75.64	362.86	5.36	-70.28
C[NH+](C)CCSCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030600958	0	46	0.0	-70.79	383.94	4.10	-66.69
CC(C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)[N@H+](C)CC1=CC=CC=C1	REAL300030600980	0	52	0.0	-63.39	413.37	5.69	-57.70
CC(C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)[N@@H+](C)CC1=CC=CC=C1	REAL300030600980	1	52	0.0	-65.34	412.64	5.69	-59.65
NC1=[NH+]C2=C(C=C1C(=O)N1C[C@@H]3C[C@H]1[C@@H]3NC(=O)C1=CC(=O)[N-]O1)CCCC2	REAL300030600984	1	49	0.0	-56.85	386.99	3.45	-53.40
O=C(C[N@H+]1CCCC1CO)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030600993	0	47	0.0	-62.52	370.56	0.73	-61.79
O=C(C[N@@H+]1CCCC1CO)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030600993	1	47	0.0	-64.47	368.11	-0.18	-64.65
CC[NH+](CC)CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030600996	0	45	0.0	-62.36	355.02	3.09	-59.27
C[N@H+](CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300030601013	0	47	0.0	-66.61	376.63	4.37	-62.24
C[N@@H+](CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300030601013	1	47	0.0	-70.76	376.48	4.37	-66.39
O=C(C[NH+]1CCC1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030601015	1	40	0.0	-64.70	329.25	2.23	-62.47
CC[NH+](CC)CCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030601083	0	48	0.0	-67.34	371.98	3.38	-63.96
NC(=O)C1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030601109	0	50	0.0	-75.32	394.43	0.65	-74.67
C[NH+](C)CC1=CNC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030601173	0	47	0.0	-73.41	378.00	3.04	-70.37
CC(C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300030601199	0	50	0.0	-64.13	389.75	0.61	-63.52
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1CC3COCC[N@@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300030601208	0	48	0.0	-68.41	374.47	1.94	-66.47
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1CC3COCC[N@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300030601208	1	48	0.0	-62.84	372.49	2.37	-60.47
CC(C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030601230	1	43	0.0	-64.40	346.81	2.59	-61.81
CCC(CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030601244	0	51	0.0	-68.12	390.01	4.21	-63.91
NC1=CC=C(C=CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C=[NH+]1	REAL300030601253	0	43	0.0	-71.74	362.96	1.95	-69.79
C[NH+](C)CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030601254	0	48	0.0	-64.46	358.08	3.30	-61.16
C[NH+](C)C(CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030601301	0	52	0.0	-71.96	409.46	5.69	-66.27
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030601344	0	46	0.0	-61.08	347.43	2.80	-58.28
C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030601344	1	46	0.0	-58.51	358.06	3.65	-54.86
CC1CN2CC[N@@H+]1CC2C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030601362	0	49	0.0	-65.06	366.33	0.34	-64.72
CC1CN2CC[N@H+]1CC2C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030601362	1	49	0.0	-59.65	365.46	0.88	-58.77
C[NH+](C)CC(O)CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030601398	0	46	0.0	-69.18	369.99	1.25	-67.93
C[NH+]1C2CCC1CC(C(=O)N1C[C@@H]3C[C@H]1[C@@H]3NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030601401	0	50	0.0	-65.82	377.29	4.26	-61.56
C#CC1(O)CC[NH+](C(C)C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030601443	0	52	0.0	-62.92	401.34	1.70	-61.22
C=CCC(C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030601458	0	46	0.0	-59.85	361.94	3.74	-56.11
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1CC3CCCC[N@@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300030601474	0	50	0.0	-62.71	381.40	4.74	-57.97
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1CC3CCCC[N@H+]3C1)C2)C1=CC(=O)[N-]O1	REAL300030601474	1	50	0.0	-61.23	381.38	4.73	-56.50
C[NH+]1CCC(C)(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030601492	0	49	0.0	-70.79	366.54	3.25	-67.54
C[NH+]1CCC(O)(CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030601498	0	50	0.0	-65.27	389.45	2.09	-63.18
COCC[N@@H+]1CCCC1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030601517	0	53	0.0	-66.91	408.25	3.07	-63.84
COCC[N@H+]1CCCC1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030601517	1	53	0.0	-65.53	416.83	3.19	-62.34
C[NH+]1C2CCC1CC(CC(=O)N1C[C@@H]3C[C@H]1[C@@H]3NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030601533	0	53	0.0	-67.54	397.53	4.65	-62.89
C[NH+](C)CCN1N=CC=C1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030601570	0	49	0.0	-47.88	373.32	3.59	-44.29
C[N@@H+]1CCC2=C(C1)SC(C(=O)N[C@@H]1[C@H]3C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C3)=C2	REAL300030601606	1	47	0.0	-70.15	388.29	4.69	-65.46
C[N@H+]1CCC2=C(C1)SC(C(=O)N[C@@H]1[C@H]3C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C3)=C2	REAL300030601606	1	47	0.0	-72.26	389.99	4.43	-67.83
C[NH+]1CCC(C2(C(=O)N[C@@H]3[C@H]4C[C@@H]3N(C(=O)C3=CC(=O)[N-]O3)C4)CC2)CC1	REAL300030601615	0	53	0.0	-64.99	402.83	5.36	-59.63
CC1=C2C=C(C(=O)N[C@@H]3[C@H]4C[C@@H]3N(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300030601627	1	44	0.0	-65.17	366.84	5.70	-59.47
C[NH+](C)CCSCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030601640	0	46	0.0	-69.46	381.19	3.55	-65.91
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2COCC[N@@H+]2C1	REAL300030601650	0	48	0.0	-64.11	373.31	1.94	-62.17
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC2COCC[N@H+]2C1	REAL300030601650	1	48	0.0	-63.79	372.68	1.98	-61.81
C[N@@H+]1CCCC1C(=O)NC12CC(CO)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030601759	0	52	0.0	-56.61	409.70	-0.98	-57.59
C[N@H+]1CCCC1C(=O)NC12CC(CO)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030601759	1	52	0.0	-56.19	410.29	-0.83	-57.02
CCC(C(=O)NC12CC(CO)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030601858	0	54	0.0	-76.39	415.63	-1.60	-77.99
CCC[N@H+](C)CC(=O)NC12CC(CO)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030601862	0	54	0.0	-79.60	424.69	-1.24	-80.84
CCC[N@@H+](C)CC(=O)NC12CC(CO)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030601862	1	54	0.0	-79.63	424.69	-1.23	-80.86
C[N@@H+]1CCC[C@@H]1C(=O)NC12CC(CO)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030601868	0	52	0.0	-49.29	403.05	-0.72	-50.01
C[N@H+]1CCC[C@@H]1C(=O)NC12CC(CO)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030601868	1	52	0.0	-76.26	410.64	-1.63	-77.89
CC[NH+](CC)CC(=O)NC12CC(CO)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030601871	0	54	0.0	-77.70	417.04	-1.56	-79.26
CC[N@H+](C)CCC(=O)NC12CC(CO)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030601914	0	54	0.0	-79.09	425.55	-1.43	-80.52
CC[N@@H+](C)CCC(=O)NC12CC(CO)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030601914	1	54	0.0	-79.06	425.33	-1.40	-80.46
CC[C@@H](C(=O)NC12CC(CO)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030601917	0	54	0.0	-76.57	415.60	-1.61	-78.18
C[NH+](C)CC(=O)NC12CC(CO)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030601932	0	48	0.0	-79.83	385.46	-2.63	-82.46
CC(C(=O)NC12CC(CO)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030601936	1	52	0.0	-75.90	413.19	-1.64	-77.54
C[N@H+](CC(=O)NC12CC(CO)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030601943	0	52	0.0	-76.56	414.72	-1.24	-77.80
C[N@@H+](CC(=O)NC12CC(CO)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030601943	1	52	0.0	-77.30	414.64	-1.22	-78.52
C[NH+]1CC(CC(=O)NC23CC(CO)(C2)OC32CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030601948	0	52	0.0	-78.27	416.90	-1.82	-80.09
C[C@@H](C(=O)NC12CC(CO)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030601956	0	51	0.0	-56.13	402.64	-1.62	-57.75
C[C@@H](C(=O)NC12CC(CO)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030601975	0	51	0.0	-56.13	402.64	-1.62	-57.75
C[C@H](C(=O)NC12CC(CO)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030601999	0	51	0.0	-76.78	403.48	-2.24	-79.02
CC1C[NH+](CC(=O)NC23CC(CO)(C2)OC32CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030602007	1	52	0.0	-79.37	415.54	-1.47	-80.84
C[N@H+](CCO)CC(=O)NC12CC(CO)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030602017	1	52	0.0	-79.77	413.54	-5.21	-84.98
C[N@@H+](CCO)CC(=O)NC12CC(CO)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030602017	1	52	0.0	-78.97	413.29	-5.19	-84.16
CC[N@H+](C)CC(=O)NC12CC(CO)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030602022	0	51	0.0	-79.04	403.19	-1.96	-81.00
CC[N@@H+](C)CC(=O)NC12CC(CO)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030602022	1	51	0.0	-79.10	403.19	-1.98	-81.08
C[NH+](C)CC=CC(=O)NC12CC(CO)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030602038	0	52	0.0	-62.50	420.27	-0.78	-63.28
CC[N@@H+]1CCC1C(=O)NC12CC(CO)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030602043	1	52	0.0	-56.09	415.86	-0.96	-57.05
CC[N@H+]1CCC1C(=O)NC12CC(CO)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030602043	1	52	0.0	-77.77	409.89	-1.97	-79.74
CC(C[NH+](C)C)C(=O)NC12CC(CO)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030602088	0	54	0.0	-74.92	423.24	-1.27	-76.19
CC1CC[N@@H+]1CC(=O)NC12CC(CO)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030602099	1	52	0.0	-76.95	411.23	-1.83	-78.78
CC1CC[N@H+]1CC(=O)NC12CC(CO)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030602099	1	52	0.0	-79.36	414.72	-1.77	-81.13
NC(=[NH2+])SCC(=O)NC12CC(CO)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030602119	0	46	0.0	-78.34	393.38	-5.68	-84.02
C[N@@H+]1CCC[C@H]1C(=O)NC12CC(CO)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030602147	0	52	0.0	-75.88	410.18	-1.41	-77.29
C[N@H+]1CCC[C@H]1C(=O)NC12CC(CO)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030602147	1	52	0.0	-77.75	405.46	-2.10	-79.85
C[N@@H+]1CCCC1C(=O)N1CC2(C1)OC1(CO)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030602258	0	52	0.0	-63.15	411.91	-1.63	-64.78
C[N@H+]1CCCC1C(=O)N1CC2(C1)OC1(CO)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030602258	1	52	0.0	-55.32	411.81	-0.80	-56.12
CCC(C(=O)N1CC2(C1)OC1(CO)CC2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030602337	0	54	0.0	-65.67	418.09	-1.56	-67.23
CCC[N@H+](C)CC(=O)N1CC2(C1)OC1(CO)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030602341	0	54	0.0	-66.37	426.34	-1.09	-67.46
CCC[N@@H+](C)CC(=O)N1CC2(C1)OC1(CO)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030602341	1	54	0.0	-68.56	426.64	-1.12	-69.68
CC[N@H+](C)CCC(=O)N1CC2(C1)OC1(CO)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030602359	0	54	0.0	-71.26	427.51	-1.31	-72.57
CC[N@@H+](C)CCC(=O)N1CC2(C1)OC1(CO)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030602359	1	54	0.0	-71.13	427.51	-1.30	-72.43
CC[C@@H](C(=O)N1CC2(C1)OC1(CO)CC2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030602402	0	54	0.0	-67.61	420.99	-1.39	-69.00
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)OC1(CO)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030602449	0	52	0.0	-65.35	406.04	-2.01	-67.36
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)OC1(CO)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030602449	1	52	0.0	-63.82	408.56	-1.65	-65.47
C[C@@H](C(=O)N1CC2(C1)OC1(CO)CC2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030602505	0	51	0.0	-67.39	404.86	-2.18	-69.57
C[N@H+](CCO)CC(=O)N1CC2(C1)OC1(CO)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030602515	1	52	0.0	-69.43	415.49	-5.11	-74.54
C[N@@H+](CCO)CC(=O)N1CC2(C1)OC1(CO)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030602515	1	52	0.0	-66.66	414.95	-5.05	-71.71
CC1C[NH+](CC(=O)N2CC3(C2)OC2(CO)CC3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030602534	1	52	0.0	-68.67	418.70	-1.46	-70.13
CC[N@H+](C)CC(=O)N1CC2(C1)OC1(CO)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030602552	0	51	0.0	-68.28	405.13	-1.88	-70.16
CC[N@@H+](C)CC(=O)N1CC2(C1)OC1(CO)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030602552	1	51	0.0	-68.28	405.14	-1.87	-70.15
CC(C[NH+](C)C)C(=O)N1CC2(C1)OC1(CO)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030602585	0	54	0.0	-70.10	426.75	-1.41	-71.51
C[NH+](C)C1(C(=O)N2CC3(C2)OC2(CO)CC3(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030602588	0	52	0.0	-70.68	411.27	-1.60	-72.28
C[C@H](C(=O)N1CC2(C1)OC1(CO)CC2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030602592	0	51	0.0	-65.17	404.87	-2.12	-67.29
CC[N@@H+]1CCC1C(=O)N1CC2(C1)OC1(CO)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030602595	1	52	0.0	-55.64	406.39	-1.29	-56.93
CC[N@H+]1CCC1C(=O)N1CC2(C1)OC1(CO)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030602595	1	52	0.0	-59.23	417.70	-0.85	-60.08
C[NH+](C)C(C)(C)C(=O)N1CC2(C1)OC1(CO)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030602604	0	54	0.0	-66.94	409.46	-1.44	-68.38
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)OC1(CO)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030602668	0	52	0.0	-57.65	406.18	-0.96	-58.61
C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)OC1(CO)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030602668	1	52	0.0	-63.03	405.36	-1.30	-64.33
C[N@H+](CC(=O)N1CC2(C1)OC1(CO)CC2(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030602707	0	52	0.0	-65.44	416.69	-1.15	-66.59
C[N@@H+](CC(=O)N1CC2(C1)OC1(CO)CC2(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030602707	1	52	0.0	-66.14	416.83	-1.13	-67.27
C[NH+]1CC(CC(=O)N2CC3(C2)OC2(CO)CC3(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030602736	0	52	0.0	-71.65	418.69	-1.72	-73.37
C[NH+](C)CC(=O)N1CC2(C1)OC1(CO)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030602739	0	48	0.0	-69.26	387.41	-2.55	-71.81
C[C@@H](C(=O)N1CC2(C1)OC1(CO)CC2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030602742	0	51	0.0	-67.39	404.86	-2.18	-69.57
CC1CC[N@@H+]1CC(=O)N1CC2(C1)OC1(CO)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030602751	1	52	0.0	-56.60	417.43	-0.68	-57.28
CC1CC[N@H+]1CC(=O)N1CC2(C1)OC1(CO)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030602751	1	52	0.0	-59.54	417.18	-0.73	-60.27
C[NH+](C)CC=CC(=O)N1CC2(C1)OC1(CO)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030602752	0	52	0.0	-75.45	424.38	-1.31	-76.76
CC[NH+](CC)CC(=O)N1CC2(C1)OC1(CO)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030602758	0	54	0.0	-66.65	423.51	-1.20	-67.85
O=C(C[NH+]1CCC1)N1CC2(C1)OC1(CO)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030602759	1	49	0.0	-66.74	397.43	-2.02	-68.76
CC(C(=O)N1CC2(C1)OC1(CO)CC2(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030602783	1	52	0.0	-56.19	414.54	-0.97	-57.16
C[N@@H+]1CCCC1C(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030602985	0	49	0.0	-82.92	378.79	2.72	-80.20
C[N@H+]1CCCC1C(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030602985	1	49	0.0	-82.91	378.80	2.72	-80.19
C[N@@H+]1CCOC(C(=O)NC2CN3C=CN=C3CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030603009	1	50	0.0	-84.12	389.21	2.46	-81.66
C[N@H+]1CCOC(C(=O)NC2CN3C=CN=C3CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030603009	1	50	0.0	-95.56	389.10	2.42	-93.14
CC1=[NH+]C=CN1CC(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030603160	1	47	0.0	-81.42	388.38	3.77	-77.65
C[C@@H]1[C@H](C(=O)NC2CN3C=CN=C3CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030603195	0	52	0.0	-85.76	396.38	3.36	-82.40
C[C@@H]1[C@H](C(=O)NC2CN3C=CN=C3CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030603195	1	52	0.0	-87.74	400.23	3.59	-84.15
C[NH+](C)C1(C(=O)NC2CN3C=CN=C3CN(C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300030603237	0	52	0.0	-91.53	390.60	3.52	-88.01
CC(C)[C@@H](C(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030603239	0	54	0.0	-81.06	404.82	4.03	-77.03
C[N@H+](CC(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030603254	0	52	0.0	-84.31	404.82	4.05	-80.26
C[N@@H+](CC(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030603254	1	52	0.0	-83.82	404.85	4.02	-79.80
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030603282	1	51	0.0	-82.58	405.51	3.94	-78.64
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030603282	1	51	0.0	-84.67	411.40	4.45	-80.22
C[NH+]1CCC(C(=O)NC2CN3C=CN=C3CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030603297	0	52	0.0	-88.71	403.53	3.81	-84.90
C[N@@H+]1CCCCC1C(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030603311	0	52	0.0	-84.71	400.80	3.76	-80.95
C[N@H+]1CCCCC1C(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030603311	1	52	0.0	-80.37	400.48	3.61	-76.76
CC1=C[NH+]=CN1CC(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030603354	1	47	0.0	-86.48	387.66	4.46	-82.02
C[N@@H+]1CCC(CC(=O)NC2CN3C=CN=C3CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030603368	0	52	0.0	-86.62	405.93	3.75	-82.87
C[N@H+]1CCC(CC(=O)NC2CN3C=CN=C3CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030603368	1	52	0.0	-88.42	405.08	3.66	-84.76
CCC(C(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030603373	0	51	0.0	-83.28	388.53	3.24	-80.04
C[NH+](C)CCCCC(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030603401	0	54	0.0	-86.61	424.03	4.19	-82.42
CC(C)C(C(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030603407	0	54	0.0	-80.46	407.13	4.17	-76.29
CCC[N@H+](C)CCC(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030603408	0	54	0.0	-87.52	420.28	4.01	-83.51
CCC[N@@H+](C)CCC(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030603408	1	54	0.0	-88.00	420.47	4.13	-83.87
CCC[N@H+](C)CC(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030603409	0	51	0.0	-86.72	398.15	3.58	-83.14
CCC[N@@H+](C)CC(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030603409	1	51	0.0	-86.83	398.17	3.57	-83.26
C[N@@H+]1CCC[C@@H]1C(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030603430	0	49	0.0	-82.54	378.65	2.60	-79.94
C[N@H+]1CCC[C@@H]1C(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030603430	1	49	0.0	-81.82	383.77	3.12	-78.70
CC[NH+](CC)CC(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030603451	0	51	0.0	-84.07	390.16	3.12	-80.95
C[NH+](C)CC1(C(=O)NC2CN3C=CN=C3CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030603514	0	52	0.0	-82.95	410.55	3.78	-79.17
C[NH+]1CCC(C(=O)NC2CN3C=CN=C3CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030603548	0	52	0.0	-88.71	403.53	3.81	-84.90
CC(C)[C@H](C(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030603563	0	54	0.0	-81.57	407.68	4.20	-77.37
CC[N@H+](C)CCC(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030603610	0	51	0.0	-87.31	398.98	3.35	-83.96
CC[N@@H+](C)CCC(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030603610	1	51	0.0	-86.83	398.77	3.26	-83.57
CC1CCC[N@@H+]1CC(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030603625	0	52	0.0	-83.86	403.90	3.85	-80.01
CC1CCC[N@H+]1CC(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030603625	1	52	0.0	-82.96	397.44	3.51	-79.45
CC1CC[N@H+](CC(=O)NC2CN3C=CN=C3CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030603626	0	52	0.0	-85.51	404.78	3.80	-81.71
CC1CC[N@@H+](CC(=O)NC2CN3C=CN=C3CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030603626	1	52	0.0	-86.14	404.73	3.93	-82.21
CC[C@@H](C(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030603630	0	51	0.0	-81.75	392.32	3.66	-78.09
C[NH+](C)CC(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030603684	0	45	0.0	-86.44	358.67	2.05	-84.39
CN1C=C[N+](CC(=O)NC2CN3C=CN=C3CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030603685	0	47	0.0	-82.65	390.16	5.67	-76.98
C[N@@H+]1CCCC(C(=O)NC2CN3C=CN=C3CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030603688	0	52	0.0	-80.33	397.06	3.90	-76.43
C[N@H+]1CCCC(C(=O)NC2CN3C=CN=C3CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030603688	1	52	0.0	-85.50	403.56	3.80	-81.70
CC(C(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030603700	1	49	0.0	-83.59	386.37	3.06	-80.53
C[NH+](C)CC(C)(C)C(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030603705	0	54	0.0	-84.59	409.10	3.80	-80.79
C[N@H+](CC(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030603712	0	49	0.0	-83.18	387.94	3.46	-79.72
C[N@@H+](CC(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030603712	1	49	0.0	-82.78	387.95	3.47	-79.31
C[NH+]1CC(CC(=O)NC2CN3C=CN=C3CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030603724	0	49	0.0	-86.90	390.12	2.88	-84.02
C[C@@H](C(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030603738	0	48	0.0	-83.25	377.08	2.56	-80.69
C[N@H+](CCO)CCC(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030603782	0	52	0.0	-86.46	409.32	0.17	-86.29
C[N@@H+](CCO)CCC(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030603782	1	52	0.0	-85.52	408.96	0.05	-85.47
C[C@@H](C(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030603783	0	48	0.0	-83.25	377.08	2.56	-80.69
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030603786	0	52	0.0	-82.20	391.14	3.44	-78.76
C[N@H+]1CCCC[C@@H]1C(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030603786	1	52	0.0	-80.29	400.69	3.66	-76.63
C[N@@H+]1CCC(=CC(=O)NC2CN3C=CN=C3CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030603829	0	50	0.0	-87.67	396.55	3.61	-84.06
C[N@H+]1CCC(=CC(=O)NC2CN3C=CN=C3CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030603829	1	50	0.0	-88.07	396.82	3.74	-84.33
C[NH+](C)CCOCC(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030603841	0	52	0.0	-85.27	414.48	3.11	-82.16
C[C@H](C(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030603855	0	48	0.0	-84.35	375.89	2.48	-81.87
CC1C[NH+](CC(=O)NC2CN3C=CN=C3CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030603873	1	49	0.0	-86.57	389.91	3.25	-83.32
C[N@H+](CCO)CC(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030603886	1	49	0.0	-87.98	387.02	-0.40	-88.38
C[N@@H+](CCO)CC(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030603886	1	49	0.0	-86.40	387.08	-0.44	-86.84
CC(CC(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030603900	0	54	0.0	-88.12	415.35	4.05	-84.07
CC[N@H+](C)CC(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030603903	0	48	0.0	-86.29	376.67	2.83	-83.46
CC[N@@H+](C)CC(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030603903	1	48	0.0	-86.46	376.67	2.83	-83.63
CC[N@H+](CC(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030603919	0	52	0.0	-82.71	407.27	4.07	-78.64
CC[N@@H+](CC(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030603919	1	52	0.0	-83.34	404.64	4.00	-79.34
CC[NH+](CC)CCC(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030603926	0	54	0.0	-86.36	412.36	3.69	-82.67
C[NH+](C)CC=CC(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030603945	0	49	0.0	-90.07	396.11	3.41	-86.66
COCC[N@H+](C)CC(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030603955	1	52	0.0	-85.87	409.26	2.01	-83.86
COCC[N@@H+](C)CC(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030603955	1	52	0.0	-88.27	409.27	2.00	-86.27
CC(CCC(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030603968	0	54	0.0	-87.11	411.55	3.79	-83.32
CC[N@@H+]1CCC1C(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030603974	1	49	0.0	-85.77	390.56	3.13	-82.64
CC[N@H+]1CCC1C(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030603974	1	49	0.0	-85.14	390.36	3.03	-82.11
C=CCC(C(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030604007	0	52	0.0	-83.57	402.53	3.65	-79.92
O=C(C[NH+]1CC2CC2C1)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030604018	0	50	0.0	-86.37	393.95	3.91	-82.46
CCCC(C(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030604028	0	54	0.0	-86.76	414.42	4.49	-82.27
C[NH+](C)C(C)(C)C(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030604030	0	51	0.0	-86.43	386.71	3.02	-83.41
C[N@@H+]1CCCCC1C(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030604044	0	52	0.0	-84.71	400.80	3.76	-80.95
C[N@H+]1CCCCC1C(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030604044	1	52	0.0	-80.37	400.48	3.61	-76.76
C[NH+](C)C1(C(=O)NC2CN3C=CN=C3CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030604099	0	49	0.0	-85.20	387.26	3.31	-81.89
O=C(CC[NH+]1CCCC1)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030604100	0	52	0.0	-86.98	405.39	3.66	-83.32
C[N@@H+]1CC2CC1(C(=O)NC1CN3C=CN=C3CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030604118	0	50	0.0	-90.92	391.41	3.33	-87.59
C[N@H+]1CC2CC1(C(=O)NC1CN3C=CN=C3CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030604118	1	50	0.0	-89.46	388.97	3.41	-86.05
O=C(C[N@@H+]1CC2C=CC1C2)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030604145	1	51	0.0	-85.05	398.59	4.16	-80.89
O=C(C[N@H+]1CC2C=CC1C2)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030604145	1	51	0.0	-84.61	397.91	4.04	-80.57
CC(C[NH+](C)C)C(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030604165	0	51	0.0	-87.08	397.28	3.41	-83.67
CC(C(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300030604195	1	52	0.0	-82.73	406.45	3.89	-78.84
CC1CC[N@@H+]1CC(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030604196	1	49	0.0	-83.70	384.45	2.86	-80.84
CC1CC[N@H+]1CC(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030604196	1	49	0.0	-84.83	390.32	3.27	-81.56
C[NH+](C)CC(O)CC(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030604198	0	52	0.0	-89.84	411.26	1.05	-88.79
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CN3C=CN=C3CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030604240	0	52	0.0	-88.21	408.54	3.91	-84.30
CC(CC[NH+](C)C)C(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030604243	0	54	0.0	-84.87	418.71	3.94	-80.93
NC(=[NH2+])SCC(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030604272	0	43	0.0	-87.41	366.59	-1.01	-88.42
CCC1CN(CC(=O)NC2CN3C=CN=C3CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030604348	0	52	0.0	-86.65	411.27	3.89	-82.76
CCC1C[NH+](CC(=O)NC2CN3C=CN=C3CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030604348	1	52	0.0	-86.65	411.27	3.89	-82.76
C[N@@H+]1CCC[C@H]1C(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030604352	0	49	0.0	-88.02	378.43	2.58	-85.44
CC1C(C(=O)NC2CN3C=CN=C3CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030604367	0	52	0.0	-88.81	395.78	3.28	-85.53
CC1C(C(=O)NC2CN3C=CN=C3CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030604367	1	52	0.0	-88.81	395.78	3.28	-85.53
C[N@@H+]1CCCC1C(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030604555	0	49	0.0	-72.94	380.64	2.78	-70.16
CN1CCOC(C(=O)N2CC3=NC=CN3CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030604581	0	50	0.0	-86.90	395.72	2.56	-84.34
C[N@@H+]1CCOC(C(=O)N2CC3=NC=CN3CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030604581	1	50	0.0	-76.72	389.23	2.61	-74.11
C[N@H+]1CCOC(C(=O)N2CC3=NC=CN3CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030604581	1	50	0.0	-76.72	389.23	2.61	-74.11
C[N@@H+]1CCC(CC(=O)N2CC3=NC=CN3CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030604741	0	52	0.0	-73.87	407.64	3.91	-69.96
C[N@H+]1CCC(CC(=O)N2CC3=NC=CN3CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030604741	1	52	0.0	-73.87	407.64	3.91	-69.96
CCC(C(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030604746	0	51	0.0	-66.33	392.42	3.38	-62.95
C[NH+](C)CCCCC(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030604769	0	54	0.0	-75.62	427.23	4.46	-71.16
CC(C)C(C(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030604777	0	54	0.0	-65.27	405.85	3.82	-61.45
CCC[N@H+](C)CCC(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030604778	0	54	0.0	-74.52	423.47	4.31	-70.21
CCC[N@@H+](C)CCC(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030604778	1	54	0.0	-74.52	423.47	4.31	-70.21
CCC[N@H+](C)CC(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030604779	0	51	0.0	-71.73	401.01	3.68	-68.05
CCC[N@@H+](C)CC(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030604779	1	51	0.0	-71.73	401.01	3.68	-68.05
C[NH+](C)CC1(C(=O)N2CC3=NC=CN3CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030604831	0	52	0.0	-63.63	402.37	4.01	-59.62
CC[N@H+](C)CCC(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030604845	0	51	0.0	-73.81	401.97	3.56	-70.25
CC[N@@H+](C)CCC(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030604845	1	51	0.0	-73.81	401.97	3.56	-70.25
C[NH+]1CCC(C(=O)N2CC3=NC=CN3CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030604881	0	52	0.0	-73.79	401.31	3.85	-69.94
CC(C)[C@H](C(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030604896	0	54	0.0	-65.76	402.19	3.66	-62.10
C[NH+](C)C1(C(=O)N2CC3=NC=CN3CC(NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300030604941	0	52	0.0	-77.27	385.60	3.44	-73.83
CC1CCC[N@@H+]1CC(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030604971	0	52	0.0	-68.50	400.53	3.65	-64.85
CC1CCC[N@H+]1CC(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030604971	1	52	0.0	-68.58	400.52	3.65	-64.93
CC(C)[C@@H](C(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030604991	0	54	0.0	-67.13	405.96	4.18	-62.95
CC1CC[N@H+](CC(=O)N2CC3=NC=CN3CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030605000	0	52	0.0	-70.92	407.13	3.95	-66.97
CC1CC[N@@H+](CC(=O)N2CC3=NC=CN3CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030605000	1	52	0.0	-70.69	407.86	4.00	-66.69
CC[C@@H](C(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030605004	0	51	0.0	-70.52	388.47	3.10	-67.42
CC1=[NH+]C=CN1CC(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030605062	1	47	0.0	-69.53	390.27	3.87	-65.66
CC1=C[NH+]=CN1CC(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030605107	1	47	0.0	-69.10	390.59	4.59	-64.51
C[C@@H]1[C@H](C(=O)N2CC3=NC=CN3CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030605110	0	52	0.0	-76.53	397.55	3.60	-72.93
C[C@@H]1[C@H](C(=O)N2CC3=NC=CN3CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030605110	1	52	0.0	-75.76	401.87	3.81	-71.95
C[N@H+](CC(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030605169	0	52	0.0	-70.01	408.03	4.26	-65.75
C[N@@H+](CC(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030605169	1	52	0.0	-70.26	407.89	4.24	-66.02
C[NH+]1CCC(C(=O)N2CC3=NC=CN3CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030605181	0	52	0.0	-73.79	401.31	3.85	-69.94
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030605198	0	49	0.0	-74.26	380.29	2.79	-71.47
C[N@H+]1CCC[C@@H]1C(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030605198	1	49	0.0	-67.85	384.10	3.11	-64.74
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030605213	1	51	0.0	-66.33	406.89	4.03	-62.30
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030605213	1	51	0.0	-65.74	413.35	4.43	-61.31
C[N@@H+]1CCCCC1C(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030605261	0	52	0.0	-65.70	401.66	3.80	-61.90
C[N@H+]1CCCCC1C(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030605261	1	52	0.0	-64.02	401.30	3.77	-60.25
CC1C(C(=O)N2CC3=NC=CN3CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030605303	0	52	0.0	-75.62	401.91	3.80	-71.82
CC1C(C(=O)N2CC3=NC=CN3CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030605303	1	52	0.0	-74.01	403.63	3.61	-70.40
C[C@@H](C(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030605352	0	48	0.0	-68.64	378.17	2.63	-66.01
O=C(CC[NH+]1CCCC1)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030605371	0	52	0.0	-73.90	408.62	3.95	-69.95
C[N@H+](CCO)CC(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030605376	1	49	0.0	-71.48	389.91	-0.30	-71.78
C[N@@H+](CCO)CC(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030605376	1	49	0.0	-72.82	389.76	-0.29	-73.11
CC1C[NH+](CC(=O)N2CC3=NC=CN3CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030605444	1	49	0.0	-71.51	393.07	3.38	-68.13
NC1=[NH+]C=CC=C1CC(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030605451	0	48	0.0	-69.95	396.13	2.14	-67.81
CC[N@H+](C)CC(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030605500	0	48	0.0	-71.47	379.59	2.95	-68.52
CC[N@@H+](C)CC(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030605500	1	48	0.0	-71.50	379.51	2.93	-68.57
COCC[N@H+](C)CC(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030605576	1	52	0.0	-73.00	412.02	2.12	-70.88
COCC[N@@H+](C)CC(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030605576	1	52	0.0	-71.55	412.17	2.11	-69.44
CC(CCC(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030605578	0	54	0.0	-73.42	419.22	4.08	-69.34
CC[N@H+](CC(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030605586	0	52	0.0	-68.50	410.47	4.32	-64.18
CC[N@@H+](CC(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030605586	1	52	0.0	-70.01	403.22	4.18	-65.83
C[N@@H+]1CC2CC1(C(=O)N1CC3=NC=CN3CC(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030605604	0	50	0.0	-64.22	380.57	3.93	-60.29
C[N@H+]1CC2CC1(C(=O)N1CC3=NC=CN3CC(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030605604	1	50	0.0	-66.54	383.97	3.65	-62.89
CC(C[NH+](C)C)C(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030605621	0	51	0.0	-73.03	396.68	3.28	-69.75
C[NH+](C)C1(C(=O)N2CC3=NC=CN3CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030605627	0	49	0.0	-74.86	377.95	2.89	-71.97
C[C@H](C(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030605640	0	48	0.0	-67.06	376.75	2.58	-64.48
CC[N@@H+]1CCC1C(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030605643	1	49	0.0	-70.89	391.96	3.14	-67.75
CC[N@H+]1CCC1C(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030605643	1	49	0.0	-70.92	391.96	3.20	-67.72
NC1=CC=[NH+]C=C1C(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030605665	0	45	0.0	-69.03	368.47	0.28	-68.75
CCCC(C(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030605671	0	54	0.0	-67.91	412.62	4.06	-63.85
C[NH+](C)C(C)(C)C(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030605674	0	51	0.0	-76.06	379.44	2.94	-73.12
CC(CC[NH+](C)C)C(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030605686	0	54	0.0	-74.33	417.44	3.87	-70.46
O=C(C[NH+]1CC2CC2C1)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030605777	0	50	0.0	-71.52	396.42	4.11	-67.41
C[N@@H+]1CCCCC1C(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030605790	0	52	0.0	-65.70	401.66	3.80	-61.90
C[N@H+]1CCCCC1C(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030605790	1	52	0.0	-64.02	401.30	3.77	-60.25
C[N@@H+]1CCC(=CC(=O)N2CC3=NC=CN3CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030605829	0	50	0.0	-75.45	398.75	3.90	-71.55
C[N@H+]1CCC(=CC(=O)N2CC3=NC=CN3CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030605829	1	50	0.0	-75.47	398.82	3.86	-71.61
O=C(CNC1=CC=[NH+]C=C1)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030605831	0	48	0.0	-72.81	397.55	1.54	-71.27
CCC1C[NH+](CC(=O)N2CC3=NC=CN3CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030605869	1	52	0.0	-72.40	414.44	4.14	-68.26
C[N@@H+]1CCC[C@H]1C(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030605875	0	49	0.0	-68.60	386.62	3.14	-65.46
C[N@H+]1CCC[C@H]1C(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030605875	1	49	0.0	-72.85	380.63	2.78	-70.07
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3=NC=CN3CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030605933	0	52	0.0	-76.36	410.42	3.97	-72.39
C[NH+](C)CCOCC(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030605960	0	52	0.0	-74.17	417.74	3.40	-70.77
C[N@@H+]1CCCC(C(=O)N2CC3=NC=CN3CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030606011	0	52	0.0	-63.28	395.82	4.04	-59.24
C[N@H+]1CCCC(C(=O)N2CC3=NC=CN3CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030606011	1	52	0.0	-63.28	395.82	4.04	-59.24
CN1C=C[N+](CC(=O)N2CC3=NC=CN3CC(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030606012	0	47	0.0	-68.04	393.10	5.79	-62.25
C[N@H+](CC(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030606025	0	49	0.0	-69.03	391.28	3.69	-65.34
CC(CC(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030606038	0	54	0.0	-75.51	418.90	4.36	-71.15
CC1=CC(N)=NC=C1C(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030606082	0	48	0.0	-68.12	388.56	1.62	-66.50
CC1=CC(N)=[NH+]C=C1C(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030606082	1	48	0.0	-68.12	388.56	1.62	-66.50
C[NH+]1CC(CC(=O)N2CC3=NC=CN3CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030606113	0	49	0.0	-75.24	393.22	3.14	-72.10
C[N@H+](CCO)CCC(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030606131	0	52	0.0	-72.33	412.27	0.31	-72.02
C[N@@H+](CCO)CCC(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030606131	1	52	0.0	-72.33	412.27	0.31	-72.02
CC(C(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1)N1CC(C)C1	REAL300030606151	0	52	0.0	-69.22	407.03	3.64	-65.58
CC(C(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300030606151	1	52	0.0	-69.22	407.03	3.64	-65.58
CC1CCN1CC(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030606152	0	49	0.0	-69.33	387.61	3.09	-66.24
CC1CC[N@@H+]1CC(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030606152	1	49	0.0	-69.76	387.60	3.09	-66.67
CC1CC[N@H+]1CC(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030606152	1	49	0.0	-69.76	387.60	3.09	-66.67
C[NH+](C)CC=CC(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030606156	0	49	0.0	-74.68	398.18	3.57	-71.11
CC[NH+](CC)CC(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030606186	0	51	0.0	-69.48	393.46	3.36	-66.12
CC[NH+](CC)CCC(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030606215	0	54	0.0	-72.54	419.82	4.25	-68.29
CC(C(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1)N1CCC1	REAL300030606256	0	49	0.0	-70.11	379.56	2.76	-67.35
CC(C(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030606256	1	49	0.0	-70.11	379.56	2.76	-67.35
C[NH+](C)CC(C)(C)C(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030606262	0	54	0.0	-70.93	401.77	3.31	-67.62
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030606285	0	52	0.0	-63.81	401.37	3.76	-60.05
C[NH+](C)CC(O)CC(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030606297	0	52	0.0	-77.66	414.46	1.34	-76.32
C=CCC(C(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030606313	0	52	0.0	-65.08	402.31	3.62	-61.46
C[N@@H+]1CCCC1C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030606522	0	52	0.0	-64.90	386.56	3.37	-61.53
CN1CCOC(C(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030606546	0	53	0.0	-67.55	403.88	3.27	-64.28
C[N@@H+]1CCOC(C(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030606546	1	53	0.0	-69.22	404.30	3.42	-65.80
C[N@H+]1CCOC(C(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030606546	1	53	0.0	-69.22	404.30	3.42	-65.80
CC(C)[N@@H+]1CCCC1C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030606702	0	58	0.0	-58.92	425.91	5.07	-53.85
CC(C)[N@H+]1CCCC1C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030606702	1	58	0.0	-58.92	425.91	5.07	-53.85
CC1=NC=CN1CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030606735	0	50	0.0	-66.22	397.51	4.53	-61.69
CC1=[NH+]C=CN1CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030606735	1	50	0.0	-66.22	397.51	4.53	-61.69
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1C[NH+]2CCC1CC2	REAL300030606763	0	56	0.0	-77.70	409.64	4.82	-72.88
C[C@@H]1[C@H](C(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030606797	0	55	0.0	-76.72	410.19	4.32	-72.40
C[C@@H]1[C@H](C(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030606797	1	55	0.0	-76.72	410.19	4.32	-72.40
CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030606799	0	58	0.0	-62.23	427.60	5.06	-57.17
CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030606799	1	58	0.0	-62.23	427.60	5.06	-57.17
CCN1CCOC(C(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030606806	0	56	0.0	-61.48	414.63	3.76	-57.72
CC[N@@H+]1CCOC(C(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030606806	1	56	0.0	-67.38	422.10	4.06	-63.32
CC[N@H+]1CCOC(C(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030606806	1	56	0.0	-67.38	422.10	4.06	-63.32
CC1CCC(C)[NH+]1CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030606870	0	58	0.0	-58.81	424.42	4.89	-53.92
O=C(CCC[NH+]1CCCC1)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030606873	0	58	0.0	-65.28	434.79	5.26	-60.02
O=C(CC[NH+]1CCCCC1)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030606876	0	58	0.0	-63.66	430.58	5.25	-58.41
CC[N@@H+]1CCCCC1C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030606879	0	58	0.0	-69.13	427.94	5.26	-63.87
CC[N@H+]1CCCCC1C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030606879	1	58	0.0	-69.93	419.19	5.05	-64.88
C[NH+](C)C1(C(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CCC1	REAL300030606890	0	55	0.0	-79.84	401.71	4.21	-75.63
CC(C)[C@@H](C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030606897	0	57	0.0	-70.17	416.75	5.05	-65.12
C[N@H+](CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300030606922	0	55	0.0	-69.92	414.44	4.98	-64.94
C[N@@H+](CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300030606922	1	55	0.0	-68.24	414.28	4.90	-63.34
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030606998	1	54	0.0	-66.56	414.70	4.69	-61.87
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030606998	1	54	0.0	-59.90	417.92	5.10	-54.80
C[N@@H+]1CCCC1CCC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030607003	0	58	0.0	-65.02	428.00	4.83	-60.19
C[N@H+]1CCCC1CCC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030607003	1	58	0.0	-72.66	430.35	5.05	-67.61
C[NH+]1CCC(C(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030607023	0	55	0.0	-83.27	412.90	4.67	-78.60
C[N@@H+]1CCCCC1C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030607062	0	55	0.0	-60.46	409.13	4.52	-55.94
C[N@H+]1CCCCC1C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030607062	1	55	0.0	-69.65	400.61	4.34	-65.31
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN2C=[NH+]C=C2C=C1	REAL300030607132	0	50	0.0	-65.72	396.74	6.33	-59.39
O=C(CC[NH+]1CCOCC1)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030607139	1	56	0.0	-68.72	422.14	2.95	-65.77
CC1=C[NH+]=CN1CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030607152	1	50	0.0	-62.85	395.29	5.13	-57.72
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C12CCC[NH+]1CCC2	REAL300030607173	0	56	0.0	-78.90	413.06	5.00	-73.90
C[N@@H+]1CCC(CC(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030607184	0	55	0.0	-80.45	414.91	4.62	-75.83
C[N@H+]1CCC(CC(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030607184	1	55	0.0	-79.94	414.69	4.61	-75.33
CN(C)C1=CC=[NH+]C=C1C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030607190	0	54	0.0	-88.98	419.06	3.82	-85.16
CCC(C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030607192	0	54	0.0	-67.77	397.57	4.09	-63.68
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC2=C[NH+]=CN2C=C1	REAL300030607219	1	50	0.0	-82.18	398.48	6.42	-75.76
C[NH+](C)CCCCC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030607251	0	57	0.0	-80.70	433.71	5.16	-75.54
CC(C)C(C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030607265	0	57	0.0	-67.65	411.30	5.05	-62.60
CCC[N@H+](C)CCC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030607266	0	57	0.0	-64.98	428.17	4.79	-60.19
CCC[N@@H+](C)CCC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030607266	1	57	0.0	-65.00	428.17	4.78	-60.22
CCC[N@H+](C)CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030607270	0	54	0.0	-72.35	407.57	4.41	-67.94
CCC[N@@H+](C)CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030607270	1	54	0.0	-62.42	405.80	4.25	-58.17
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C12CC[N@H+](C1)CCC2	REAL300030607285	0	56	0.0	-86.46	409.25	4.36	-82.10
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C12CC[N@@H+](C1)CCC2	REAL300030607285	1	56	0.0	-64.66	408.43	4.07	-60.59
C[N@@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030607311	0	52	0.0	-73.45	387.91	3.46	-69.99
C[N@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030607311	1	52	0.0	-67.82	394.11	3.97	-63.85
CC[NH+](CC)CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030607346	0	54	0.0	-71.23	404.40	4.36	-66.87
CC1CC[NH+](CC(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030607407	0	58	0.0	-73.66	430.67	5.44	-68.22
C[NH+](C)CC1(C(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030607429	0	55	0.0	-58.15	418.98	4.70	-53.45
C[NH+]1CCC(C(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030607482	0	55	0.0	-83.27	412.90	4.67	-78.60
CC(C)[C@H](C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030607498	0	57	0.0	-71.63	418.02	5.09	-66.54
CCC(C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](CC)CC	REAL300030607526	0	60	0.0	-65.38	433.50	5.46	-59.92
CC[N@H+](C)CCC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030607567	0	54	0.0	-64.42	406.67	4.04	-60.38
CC[N@@H+](C)CCC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030607567	1	54	0.0	-76.53	408.44	4.21	-72.32
CC1CCC[N@@H+]1CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030607597	0	55	0.0	-67.10	407.07	4.39	-62.71
CC1CCC[N@H+]1CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030607597	1	55	0.0	-67.35	407.10	4.41	-62.94
CC1CC[N@H+](CC(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030607599	0	55	0.0	-61.25	412.83	4.49	-56.76
CC1CC[N@@H+](CC(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030607599	1	55	0.0	-61.27	412.03	4.57	-56.70
CC1(C)CC[N@H+](CC(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030607603	0	58	0.0	-69.18	433.07	5.17	-64.01
CC1(C)CC[N@@H+](CC(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030607603	1	58	0.0	-61.31	432.14	5.09	-56.22
C[N@H+](CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300030607604	0	60	0.0	-72.68	436.92	5.47	-67.21
C[N@@H+](CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300030607604	1	60	0.0	-72.39	437.89	5.48	-66.91
CC[C@@H](C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030607612	0	54	0.0	-67.72	397.56	4.09	-63.63
C[NH+](C)CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030607716	0	48	0.0	-72.78	368.35	3.01	-69.77
O=C(C[NH+]1CCCCCC1)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030607720	0	58	0.0	-71.47	419.42	5.06	-66.41
CN1C=C[N+](CC(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030607723	0	50	0.0	-70.87	399.57	6.52	-64.35
C[N@@H+]1CCCC(C(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030607728	0	55	0.0	-66.85	411.45	4.59	-62.26
C[N@H+]1CCCC(C(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030607728	1	55	0.0	-59.97	404.88	4.66	-55.31
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@@H+]1C1CC1	REAL300030607733	0	56	0.0	-59.02	419.46	4.94	-54.08
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC[N@H+]1C1CC1	REAL300030607733	1	56	0.0	-63.09	416.81	4.81	-58.28
CC(C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300030607749	1	52	0.0	-62.75	395.17	4.03	-58.72
CCC(CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300030607753	0	60	0.0	-79.29	439.32	5.51	-73.78
C[NH+](C)CC(C)(C)C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030607758	0	57	0.0	-66.24	416.90	4.63	-61.61
O=C(C[NH+]1CCC(O)CC1)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030607773	1	56	0.0	-66.63	420.06	1.47	-65.16
C[N@H+](CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030607774	0	52	0.0	-60.32	395.98	4.24	-56.08
C[N@@H+](CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030607774	1	52	0.0	-69.87	397.75	4.41	-65.46
C[NH+]1CC(CC(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030607790	0	52	0.0	-68.20	398.32	3.77	-64.43
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030607801	0	58	0.0	-60.07	428.32	4.66	-55.41
CC(C)(C)[N@H+]1CCC1C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030607801	1	58	0.0	-59.81	428.41	4.66	-55.15
C[C@@H](C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030607812	0	51	0.0	-63.69	384.41	3.38	-60.31
[NH2+]=C1SC=CN1CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030607871	0	48	0.0	-65.06	395.12	3.08	-61.98
C[N@H+](CCO)CCC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030607878	0	55	0.0	-64.57	417.02	0.83	-63.74
C[N@@H+](CCO)CCC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030607878	1	55	0.0	-64.31	416.89	0.82	-63.49
C[C@@H](C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030607879	0	51	0.0	-63.69	384.41	3.38	-60.31
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030607883	0	55	0.0	-61.62	399.28	4.42	-57.20
C[N@H+]1CCCC[C@@H]1C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030607883	1	55	0.0	-64.79	409.93	4.52	-60.27
O=C(C[NH+]1CCC1)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030607933	1	49	0.0	-64.07	376.96	3.38	-60.69
C[N@@H+]1CCC(=CC(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030607952	0	53	0.0	-77.72	406.38	4.57	-73.15
C[N@H+]1CCC(=CC(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030607952	1	53	0.0	-69.62	405.80	4.50	-65.12
C[NH+](C)CCOCC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030607975	0	55	0.0	-75.51	424.22	4.06	-71.45
C=CCC(C)(C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030607989	0	58	0.0	-59.81	420.17	4.86	-54.95
C[S+](C)CCC(O)C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030607993	0	54	0.0	-87.01	433.21	2.66	-84.35
C[N@@H+]1CC(O)CC1(C)C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608012	0	56	0.0	-63.03	414.80	1.32	-61.71
CC1CN(CC(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030608031	0	52	0.0	-73.21	399.61	4.11	-69.10
CC1C[NH+](CC(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030608031	1	52	0.0	-73.21	399.61	4.11	-69.10
CN(CCO)CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608049	0	52	0.0	-62.91	394.66	0.26	-62.65
C[N@H+](CCO)CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608049	1	52	0.0	-73.69	396.43	0.45	-73.24
C[N@@H+](CCO)CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608049	1	52	0.0	-73.69	396.43	0.45	-73.24
CC[N@@H+]1CCCC(C(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030608069	0	58	0.0	-63.58	429.22	5.24	-58.34
CC[N@H+]1CCCC(C(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030608069	1	58	0.0	-63.58	429.22	5.24	-58.34
CC(CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300030608071	0	57	0.0	-78.51	425.65	4.99	-73.52
CC[N@H+](C)CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608076	0	51	0.0	-63.81	384.59	3.61	-60.20
CC[N@H+](CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030608109	0	55	0.0	-61.01	413.21	4.99	-56.02
CC[NH+](CC)CCC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608119	0	57	0.0	-76.29	422.02	4.64	-71.65
CC1(C)CN(CC(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030608137	0	55	0.0	-64.22	417.47	4.58	-59.64
CC1(C)C[NH+](CC(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030608137	1	55	0.0	-64.22	417.47	4.58	-59.64
CC1(O)CC[N@H+](CC(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030608155	0	56	0.0	-62.10	422.52	1.24	-60.86
C[NH+](C)CC=CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608159	0	52	0.0	-81.44	404.31	4.24	-77.20
CC(OCC[NH+](C)C)C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608168	0	58	0.0	-77.11	443.21	4.79	-72.32
C[NH+](C)CCOCCC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608174	0	58	0.0	-78.55	445.17	3.80	-74.75
COCCN(C)CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608175	0	55	0.0	-73.44	418.69	2.85	-70.59
COCC[N@H+](C)CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608175	1	55	0.0	-62.87	416.91	2.66	-60.21
COCC[N@@H+](C)CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608175	1	55	0.0	-62.87	416.91	2.66	-60.21
C[NH+](C)C1(C(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300030608195	0	58	0.0	-74.07	419.75	5.47	-68.60
CC(CCC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030608197	0	57	0.0	-75.65	425.82	4.75	-70.90
CCN1CCC1C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608203	0	52	0.0	-70.51	392.80	3.65	-66.86
CC[N@@H+]1CCC1C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608203	1	52	0.0	-72.86	399.59	3.93	-68.93
CC[N@H+]1CCC1C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608203	1	52	0.0	-72.86	399.59	3.93	-68.93
O=C(C[N@H+]1CCCC1CO)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608216	0	56	0.0	-60.44	419.73	1.44	-59.00
C[NH+]1CCC(C)(C(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030608238	0	58	0.0	-75.80	425.67	5.10	-70.70
C=CCC(C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030608257	0	55	0.0	-67.60	412.11	4.52	-63.08
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608264	0	58	0.0	-59.48	427.00	4.54	-54.94
C[N@H+]1CC(C)(C)CC1C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608264	1	58	0.0	-59.48	427.00	4.54	-54.94
C[NH+](C)CCCCCC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608266	0	60	0.0	-80.49	455.21	5.94	-74.55
CCCC(C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030608287	0	57	0.0	-68.69	419.69	4.77	-63.92
C[NH+](C)C(C)(C)C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608290	0	54	0.0	-60.82	394.33	4.11	-56.71
C[N@@H+]1CCCCC1C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608316	0	55	0.0	-69.65	400.61	4.34	-65.31
C[N@H+]1CC=C(CC(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030608340	0	56	0.0	-65.65	425.71	5.15	-60.50
C[N@@H+]1CC=C(CC(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030608340	1	56	0.0	-65.65	425.71	5.15	-60.50
O=C(C=CC[NH+]1CCCC1)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608380	0	56	0.0	-69.57	429.17	5.38	-64.19
O=C(CC[NH+]1CCCC1)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608413	0	55	0.0	-63.82	414.91	4.56	-59.26
C[N@@H+]1CC2CC1(C(=O)NC1CC3(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030608442	0	53	0.0	-59.25	397.46	3.96	-55.29
O=C(C[N@@H+]1CC2CCC1C2)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608449	0	56	0.0	-60.63	411.19	4.87	-55.76
O=C(C[N@H+]1CC2CCC1C2)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608449	1	56	0.0	-60.63	411.19	4.87	-55.76
O=C(CN1CC2C=CC1C2)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608489	0	54	0.0	-59.98	406.03	4.81	-55.17
O=C(C[N@@H+]1CC2C=CC1C2)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608489	1	54	0.0	-59.63	405.67	4.71	-54.92
O=C(C[N@H+]1CC2C=CC1C2)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608489	1	54	0.0	-59.63	405.67	4.71	-54.92
CC(C[NH+](C)C)C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608521	0	54	0.0	-65.41	406.60	4.39	-61.02
C[N@@H+]1CCCCC1CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608571	0	58	0.0	-65.35	426.05	5.13	-60.22
C[N@H+]1CCCCC1CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608571	1	58	0.0	-65.35	426.05	5.13	-60.22
CC1CCN1CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608583	0	52	0.0	-68.99	394.20	3.84	-65.15
CC1CC[N@@H+]1CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608583	1	52	0.0	-63.48	398.24	4.02	-59.46
CC1CC[N@H+]1CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608583	1	52	0.0	-63.48	398.24	4.02	-59.46
C[NH+](C)CC(O)CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608586	0	55	0.0	-82.46	421.05	2.00	-80.46
CC1CN(C)CC(C(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030608606	0	56	0.0	-64.38	418.37	3.97	-60.41
CC1C[N@H+](C)CC(C(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030608606	1	56	0.0	-85.74	426.64	4.09	-81.65
CC1C[N@@H+](C)CC(C(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030608606	1	56	0.0	-85.74	426.64	4.09	-81.65
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030608653	0	55	0.0	-65.73	416.67	4.67	-61.06
CC(CC[NH+](C)C)C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608659	0	57	0.0	-77.18	428.39	4.90	-72.28
CN1CCN(CC(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030608678	0	57	0.0	-69.12	425.88	2.46	-66.66
C[NH+]1CCN(CC(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030608678	1	57	0.0	-69.12	425.88	2.46	-66.66
NC(=[NH2+])SCC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608702	0	46	0.0	-78.67	376.27	-0.04	-78.71
C[NH+](C)CCC1(C(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030608731	0	58	0.0	-86.35	442.28	5.60	-80.75
C[N@@H+]1CC=CCC1CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608732	0	56	0.0	-63.63	414.54	5.00	-58.63
C[N@H+]1CC=CCC1CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608732	1	56	0.0	-63.63	414.54	5.00	-58.63
C[C@@H](OCC[NH+](C)C)C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608745	0	58	0.0	-63.89	442.53	4.70	-59.19
CCC1C[NH+](CC(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030608831	1	55	0.0	-64.82	419.53	4.81	-60.01
C[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608836	1	52	0.0	-61.37	386.57	3.38	-57.99
O=C(CC[N@@H+]1CCC(F)C1)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608842	1	55	0.0	-68.90	420.99	4.71	-64.19
O=C(C[NH+]1CCCCC1)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608855	0	55	0.0	-62.45	408.42	4.75	-57.70
CC1C(C(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030608861	0	55	0.0	-76.04	410.54	4.46	-71.58
CC1C(C(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030608861	1	55	0.0	-73.74	413.63	4.52	-69.22
C[N@@H+]1CCOCC1CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608890	1	56	0.0	-67.24	411.49	2.68	-64.56
C[N@H+]1CCOCC1CC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608890	1	56	0.0	-67.75	417.13	2.65	-65.10
C[N@@H+]1CCCC1C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030609061	0	52	0.0	-66.93	391.74	3.85	-63.08
C[N@H+]1CCCC1C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030609061	1	52	0.0	-68.95	392.56	3.92	-65.03
C[N@@H+]1CCOC(C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030609087	1	53	0.0	-78.14	395.63	3.14	-75.00
C[N@H+]1CCOC(C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030609087	1	53	0.0	-87.43	404.00	3.38	-84.05
O=C(CC[NH+]1CCOCC1)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030609240	1	56	0.0	-76.22	426.47	3.18	-73.04
O=C(NC1CC2(C1)CCCN(C(=O)C13CCC[NH+]1CCC3)C2)C1=CC(=O)[N-]O1	REAL300030609252	0	56	0.0	-75.44	402.10	4.67	-70.77
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC3=C[NH+]=CN3C=C1)C2)C1=CC(=O)[N-]O1	REAL300030609258	1	50	0.0	-79.64	405.97	6.54	-73.10
C[N@@H+]1CCC(CC(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030609289	0	55	0.0	-73.05	416.80	4.68	-68.37
C[N@H+]1CCC(CC(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030609289	1	55	0.0	-75.53	416.10	4.73	-70.80
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030609295	0	54	0.0	-80.41	423.59	2.84	-77.57
CCC(C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030609297	0	54	0.0	-68.43	395.74	3.91	-64.52
C[NH+](C)CCCCC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030609335	0	57	0.0	-76.17	436.61	5.32	-70.85
CC(C)C(C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030609351	0	57	0.0	-70.81	414.28	4.68	-66.13
CCC[N@H+](C)CCC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030609352	0	57	0.0	-75.81	432.89	5.16	-70.65
CCC[N@@H+](C)CCC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030609352	1	57	0.0	-74.58	432.81	5.15	-69.43
CCC[N@H+](C)CC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030609356	0	54	0.0	-71.04	410.43	4.54	-66.50
CCC[N@@H+](C)CC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030609356	1	54	0.0	-70.98	410.45	4.54	-66.44
O=C(NC1CC2(C1)CCCN(C(=O)C13CC[N@H+](C1)CCC3)C2)C1=CC(=O)[N-]O1	REAL300030609371	0	56	0.0	-69.15	394.20	3.59	-65.56
O=C(NC1CC2(C1)CCCN(C(=O)C13CC[N@@H+](C1)CCC3)C2)C1=CC(=O)[N-]O1	REAL300030609371	1	56	0.0	-75.47	403.75	3.96	-71.51
CC1CC[NH+](CC(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030609404	0	58	0.0	-71.79	433.79	5.61	-66.18
C[NH+](C)CC1(C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030609445	0	55	0.0	-72.72	418.88	4.67	-68.05
CC[N@H+](C)CCC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030609464	0	54	0.0	-73.77	411.31	4.40	-69.37
CC[N@@H+](C)CCC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030609464	1	54	0.0	-74.97	411.39	4.41	-70.56
O=C(NC1CC2(C1)CCCN(C(=O)C1C[NH+]3CCC1CC3)C2)C1=CC(=O)[N-]O1	REAL300030609482	0	56	0.0	-80.31	407.22	4.62	-75.69
C[NH+]1CCC(C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030609531	0	55	0.0	-76.78	415.40	4.71	-72.07
CC(C)[C@H](C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030609547	0	57	0.0	-69.60	411.79	4.53	-65.07
CC[NH+](CC)CC(F)C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030609607	0	57	0.0	-73.83	429.21	4.85	-68.98
C[NH+](C)C1(C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CCC1	REAL300030609628	0	55	0.0	-74.85	395.86	3.96	-70.89
CCC(C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](CC)CC	REAL300030609656	0	60	0.0	-64.14	430.65	5.25	-58.89
CC1CCC[N@@H+]1CC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030609667	0	55	0.0	-67.59	415.79	4.73	-62.86
CC1CCC[N@H+]1CC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030609667	1	55	0.0	-69.81	416.41	4.91	-64.90
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030609713	0	58	0.0	-69.65	420.49	5.44	-64.21
CC(C)[N@H+]1CCCC1C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030609713	1	58	0.0	-70.46	421.14	5.31	-65.15
CC(C)[C@@H](C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030609722	0	57	0.0	-71.76	408.22	4.73	-67.03
CC1CC[N@H+](CC(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030609736	0	55	0.0	-71.70	416.62	4.81	-66.89
CC1CC[N@@H+](CC(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030609736	1	55	0.0	-70.21	416.58	4.81	-65.40
CC1(C)CC[N@H+](CC(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030609740	0	58	0.0	-71.42	434.78	5.33	-66.09
CC1(C)CC[N@@H+](CC(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030609740	1	58	0.0	-70.24	436.24	5.39	-64.85
C[N@H+](CC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)CC(C)(C)C	REAL300030609741	0	60	0.0	-72.66	439.10	5.52	-67.14
C[N@@H+](CC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)CC(C)(C)C	REAL300030609741	1	60	0.0	-72.50	441.05	5.68	-66.82
CC[C@@H](C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030609749	0	54	0.0	-67.59	394.25	3.88	-63.71
CC1=[NH+]C=CN1CC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030609870	1	50	0.0	-68.09	399.61	4.69	-63.40
CC[N@@H+]1CCOC(C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030609934	1	56	0.0	-82.07	422.77	4.05	-78.02
CC[N@H+]1CCOC(C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030609934	1	56	0.0	-84.79	421.97	4.02	-80.77
O=C(NC1CC2(C1)CCCN(C(=O)C1=CN3C=[NH+]C=C3C=C1)C2)C1=CC(=O)[N-]O1	REAL300030609964	0	50	0.0	-74.11	400.90	6.30	-67.81
CC1=C[NH+]=CN1CC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030609967	1	50	0.0	-69.18	400.99	5.48	-63.70
C[C@@H]1[C@H](C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300030609974	0	55	0.0	-78.80	407.01	4.20	-74.60
C[C@@H]1[C@H](C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300030609974	1	55	0.0	-74.61	411.63	4.66	-69.95
CC[C@@H]1[C@@H](C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300030609976	0	58	0.0	-73.75	427.54	4.74	-69.01
CC[C@@H]1[C@@H](C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300030609976	1	58	0.0	-70.53	426.61	5.08	-65.45
CC1CCC(C)[NH+]1CC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030609983	0	58	0.0	-67.65	428.32	5.15	-62.50
O=C(CCC[NH+]1CCCC1)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030609986	0	58	0.0	-72.91	439.44	5.59	-67.32
O=C(CC[NH+]1CCCCC1)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030609990	0	58	0.0	-72.92	435.21	5.61	-67.31
CC[N@@H+]1CCCCC1C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030609993	0	58	0.0	-68.00	429.77	5.35	-62.65
CC[N@H+]1CCCCC1C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030609993	1	58	0.0	-66.81	427.02	5.22	-61.59
C[N@H+](CC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300030610091	0	55	0.0	-68.92	417.32	5.11	-63.81
C[N@@H+](CC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)C1CCC1	REAL300030610091	1	55	0.0	-68.40	417.35	5.11	-63.29
C[NH+]1CCC(C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030610122	0	55	0.0	-76.78	415.40	4.71	-72.07
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610152	0	52	0.0	-71.10	388.31	3.61	-67.49
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610152	1	52	0.0	-67.88	393.92	3.98	-63.90
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610170	1	54	0.0	-69.84	416.38	4.87	-64.97
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610170	1	54	0.0	-70.68	421.67	5.26	-65.42
C[N@@H+]1CCCC1CCC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610175	0	58	0.0	-77.99	438.69	5.68	-72.31
C[N@H+]1CCCC1CCC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610175	1	58	0.0	-72.61	433.20	5.19	-67.42
C[N@@H+]1CCCCC1C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610249	0	55	0.0	-72.12	402.10	4.30	-67.82
C[N@H+]1CCCCC1C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610249	1	55	0.0	-67.23	399.14	4.11	-63.12
CC1C(C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@@H+]1C	REAL300030610307	0	55	0.0	-71.42	412.34	4.34	-67.08
CC1C(C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC[N@H+]1C	REAL300030610307	1	55	0.0	-69.33	407.17	4.15	-65.18
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610363	0	58	0.0	-69.24	432.55	4.82	-64.42
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610363	1	58	0.0	-67.50	429.83	4.70	-62.80
C[C@@H](C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030610377	0	51	0.0	-70.10	385.82	3.44	-66.66
C=CCC(C)(C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030610391	0	58	0.0	-65.44	415.41	4.56	-60.88
O=C(CC[NH+]1CCCC1)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610408	0	55	0.0	-73.12	419.54	4.90	-68.22
C[N@H+](CCO)CC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610417	1	52	0.0	-71.43	399.30	0.56	-70.87
C[N@@H+](CCO)CC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610417	1	52	0.0	-72.03	399.07	0.56	-71.47
C[N@H+]1CC=C(CC(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030610475	0	56	0.0	-70.96	430.41	5.50	-65.46
C[N@@H+]1CC=C(CC(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030610475	1	56	0.0	-68.67	430.42	5.50	-63.17
C[S+](C)CCC(O)C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610485	0	54	0.0	-82.00	431.95	2.56	-79.44
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610498	0	56	0.0	-68.34	410.42	0.61	-67.73
C[N@H+]1CC(O)CC1(C)C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610498	1	56	0.0	-66.98	407.79	0.21	-66.77
CC1C[NH+](CC(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030610528	1	52	0.0	-71.01	400.97	4.14	-66.87
CC[N@@H+]1CCCC(C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030610534	0	58	0.0	-60.32	423.95	5.38	-54.94
CC[N@H+]1CCCC(C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030610534	1	58	0.0	-71.54	432.83	5.32	-66.22
NC1=[NH+]C=CC=C1CC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610538	0	51	0.0	-67.64	405.46	2.98	-64.66
O=C(NC1CC2(C1)CCCN(C(=O)C1CCC[N@@H+]1C1CC1)C2)C1=CC(=O)[N-]O1	REAL300030610546	0	56	0.0	-70.62	418.81	4.98	-65.64
O=C(NC1CC2(C1)CCCN(C(=O)C1CCC[N@H+]1C1CC1)C2)C1=CC(=O)[N-]O1	REAL300030610546	1	56	0.0	-67.68	418.92	5.29	-62.39
O=C(C=CC[NH+]1CCCC1)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610576	0	56	0.0	-68.29	432.47	5.55	-62.74
CC[N@H+](C)CC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610621	0	51	0.0	-70.70	388.95	3.80	-66.90
O=C(CN1CC2C=CC1C2)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610656	0	54	0.0	-68.98	409.38	5.05	-63.93
O=C(C[N@@H+]1CC2C=CC1C2)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610656	1	54	0.0	-70.51	408.85	5.03	-65.48
O=C(C[N@H+]1CC2C=CC1C2)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610656	1	54	0.0	-70.51	408.85	5.03	-65.48
CC(OCC[NH+](C)C)C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610743	0	58	0.0	-73.48	442.99	4.71	-68.77
C[NH+](C)CCOCCC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610750	0	58	0.0	-74.16	448.08	3.97	-70.19
COCCN(C)CC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610752	0	55	0.0	-72.02	421.33	2.96	-69.06
COCC[N@H+](C)CC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610752	1	55	0.0	-71.67	421.55	2.96	-68.71
COCC[N@@H+](C)CC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610752	1	55	0.0	-71.67	421.55	2.96	-68.71
CC(CCC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030610755	0	57	0.0	-76.49	424.64	4.91	-71.58
CC[N@H+](CC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300030610771	0	55	0.0	-69.77	417.68	5.16	-64.61
C[N@@H+]1CC2CC1(C(=O)N1CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C1)C2	REAL300030610798	0	53	0.0	-73.06	396.68	3.98	-69.08
O=C(C[N@@H+]1CC2CCC1C2)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610807	0	56	0.0	-67.59	415.72	5.06	-62.53
O=C(C[N@H+]1CC2CCC1C2)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610807	1	56	0.0	-67.59	415.72	5.06	-62.53
CC(C[NH+](C)C)C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610822	0	54	0.0	-67.87	407.53	4.25	-63.62
C[C@H](C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030610854	0	51	0.0	-70.06	385.81	3.41	-66.65
CC[N@@H+]1CCC1C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610859	1	52	0.0	-70.85	392.90	3.70	-67.15
CC[N@H+]1CCC1C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610859	1	52	0.0	-71.56	400.75	4.04	-67.52
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610870	0	60	0.0	-69.36	430.59	3.42	-65.94
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610897	1	54	0.0	-66.08	422.77	3.70	-62.38
NC1=CC=[NH+]C=C1C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610898	0	48	0.0	-74.04	380.74	1.01	-73.03
CCCC(C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030610906	0	57	0.0	-69.93	420.90	4.82	-65.11
C[NH+](C)C(C)(C)C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610911	0	54	0.0	-75.22	390.60	3.57	-71.65
CC(CC[NH+](C)C)C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610925	0	57	0.0	-81.33	432.05	4.94	-76.39
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610987	0	58	0.0	-69.81	430.03	4.80	-65.01
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610987	1	58	0.0	-70.57	428.83	4.69	-65.88
C[NH+](C)CCCCCC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610989	0	60	0.0	-75.21	458.12	6.10	-69.11
C[NH+]1CCN(CC(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030610996	1	57	0.0	-72.89	430.28	2.63	-70.26
CC1C[N@H+](C)CC(C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300030611049	1	56	0.0	-87.68	425.27	4.09	-83.59
CC1C[N@@H+](C)CC(C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)O1	REAL300030611049	1	56	0.0	-79.43	417.19	3.88	-75.55
O=C(C[NH+]1CC2CC2C1)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611080	0	53	0.0	-71.37	406.68	5.01	-66.36
C[N@@H+]1CCCCC1C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611107	0	55	0.0	-72.12	402.10	4.30	-67.82
C[N@H+]1CCCCC1C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611107	1	55	0.0	-67.23	399.14	4.11	-63.12
C[N@@H+]1CCC(=CC(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030611181	0	53	0.0	-68.36	409.09	4.68	-63.68
C[N@H+]1CCC(=CC(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030611181	1	53	0.0	-72.36	407.51	4.63	-67.73
O=C(CNC1=CC=[NH+]C=C1)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611184	0	51	0.0	-73.87	406.99	2.40	-71.47
C[NH+](C)C1(C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CCCC1	REAL300030611247	0	58	0.0	-63.56	410.45	4.40	-59.16
CCC1C[NH+](CC(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030611256	1	55	0.0	-73.59	422.45	4.91	-68.68
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611266	0	52	0.0	-68.25	391.16	3.89	-64.36
C[N@H+]1CCC[C@H]1C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611266	1	52	0.0	-71.47	389.73	3.66	-67.81
NC1=CC=C(CCC(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C=[NH+]1	REAL300030611310	0	54	0.0	-73.10	430.23	3.66	-69.44
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030611361	0	55	0.0	-73.88	420.17	4.87	-69.01
C[NH+](C)CCC1(C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030611370	0	58	0.0	-75.32	442.66	5.47	-69.85
C[N@@H+]1CC=CCC1CC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611371	0	56	0.0	-62.94	415.94	5.11	-57.83
C[N@H+]1CC=CCC1CC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611371	1	56	0.0	-77.61	422.36	5.23	-72.38
C[NH+](C)CCOCC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611407	0	55	0.0	-72.16	427.10	4.27	-67.89
[NH2+]=C1SC=CN1CC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611435	0	48	0.0	-66.16	398.28	3.31	-62.85
C[C@@H](OCC[NH+](C)C)C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611477	0	58	0.0	-69.69	442.45	4.68	-65.01
C[N@@H+]1CCCC(C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030611507	0	55	0.0	-72.22	403.60	4.47	-67.75
C[N@H+]1CCCC(C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030611507	1	55	0.0	-72.22	403.60	4.47	-67.75
O=C(C[NH+]1CCCCCC1)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611508	0	58	0.0	-71.36	424.30	5.53	-65.83
CN1C=C[N+](CC(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300030611512	0	50	0.0	-70.10	402.49	6.64	-63.46
O=C(CN1CCC(O)CC1)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611535	0	56	0.0	-76.23	424.03	1.65	-74.58
O=C(C[NH+]1CCC(O)CC1)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611535	1	56	0.0	-76.23	424.03	1.65	-74.58
C[N@H+](CC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)C1CC1	REAL300030611537	0	52	0.0	-70.06	400.69	4.54	-65.52
O=C(CC[N@H+]1CCC(F)C1)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611540	0	55	0.0	-77.79	424.29	4.91	-72.88
CC(CC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300030611561	0	57	0.0	-74.94	428.44	5.19	-69.75
CN1CCOCC1CC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611580	0	56	0.0	-69.19	412.89	2.79	-66.40
C[N@@H+]1CCOCC1CC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611580	1	56	0.0	-80.77	421.79	2.99	-77.78
C[N@H+]1CCOCC1CC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611580	1	56	0.0	-80.77	421.79	2.99	-77.78
CC1=CC(N)=NC=C1C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611620	0	51	0.0	-74.79	401.74	2.34	-72.45
CC1=CC(N)=[NH+]C=C1C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611620	1	51	0.0	-74.79	401.74	2.34	-72.45
CC1(O)CC[N@H+](CC(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030611650	0	56	0.0	-73.26	427.69	1.53	-71.73
C[NH+]1CC(CC(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030611678	0	52	0.0	-72.51	402.33	3.91	-68.60
C[N@H+](CCO)CCC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611708	0	55	0.0	-74.17	421.67	1.18	-72.99
C[N@@H+](CCO)CCC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611708	1	55	0.0	-74.17	421.67	1.18	-72.99
C[N@@H+]1CCCCC1CC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611726	0	58	0.0	-75.55	428.92	5.30	-70.25
C[N@H+]1CCCCC1CC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611726	1	58	0.0	-75.55	428.92	5.30	-70.25
CC1CCN1CC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611741	0	52	0.0	-71.30	401.06	4.15	-67.15
CC1CC[N@@H+]1CC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611741	1	52	0.0	-69.06	401.04	4.16	-64.90
CC1CC[N@H+]1CC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611741	1	52	0.0	-69.06	401.04	4.16	-64.90
C[NH+](C)CC=CC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611749	0	52	0.0	-69.83	406.12	4.35	-65.48
CC1(C)CN(CC(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030611755	0	55	0.0	-73.03	421.85	4.74	-68.29
CC1(C)C[NH+](CC(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C1	REAL300030611755	1	55	0.0	-73.03	421.85	4.74	-68.29
C[NH+](C)CCSCC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611777	0	55	0.0	-79.64	438.15	5.15	-74.49
O=C(C[N@H+]1CCCC1CO)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611796	0	56	0.0	-69.85	419.34	1.14	-68.71
CC[NH+](CC)CC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611800	0	54	0.0	-70.63	407.24	4.48	-66.15
O=C(CN1CCC1)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611809	0	49	0.0	-72.49	380.09	3.53	-68.96
O=C(C[NH+]1CCC1)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611809	1	49	0.0	-72.49	380.09	3.53	-68.96
CC[NH+](CC)CCC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611840	0	57	0.0	-74.30	424.85	4.82	-69.48
CC(C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+]1CCC1	REAL300030611899	1	52	0.0	-71.41	389.17	3.78	-67.63
CCC(CC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)C[NH+](C)C	REAL300030611904	0	60	0.0	-74.18	442.23	5.66	-68.52
NC1=CC=C(C=CC(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C=[NH+]1	REAL300030611909	0	52	0.0	-65.91	417.53	3.37	-62.54
C[NH+](C)CC(C)(C)C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611910	0	57	0.0	-75.02	410.90	4.49	-70.53
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611947	0	55	0.0	-68.19	400.64	4.25	-63.94
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611947	1	55	0.0	-68.02	410.54	4.66	-63.36
C[NH+](C)CC(O)CC(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611971	0	55	0.0	-78.81	423.87	2.20	-76.61
C=CCC(C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)[NH+](C)C	REAL300030611993	0	55	0.0	-68.32	412.60	4.53	-63.79
C[NH+]1CCC(C)(C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)CC1	REAL300030612006	0	58	0.0	-71.18	419.74	4.67	-66.51
C[NH+](C)CCSCC(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030612069	0	55	0.0	-85.28	435.24	4.95	-80.33
C[NH+](C)CC(=O)NCC12CC(C(N)=O)(C1)C1(CN(C(=O)C3=CC(=O)[N-]O3)C1)O2	REAL300030612107	0	51	0.0	-82.57	412.37	-2.53	-85.10
C[NH+](C)CC(=O)N1CC2(C1)OC1(CNC(=O)C3=CC(=O)[N-]O3)CC2(C(N)=O)C1	REAL300030612192	0	51	0.0	-71.62	414.31	-2.41	-74.03
C[N@@H+]1CCCC1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030612350	0	46	0.0	-72.46	349.73	2.53	-69.93
C[N@H+]1CCCC1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030612350	1	46	0.0	-74.62	349.83	2.53	-72.09
C[N@@H+]1CCOC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030612374	1	47	0.0	-79.96	360.06	2.24	-77.72
C[N@H+]1CCOC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030612374	1	47	0.0	-62.30	355.47	3.20	-59.10
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030612564	1	53	0.0	-68.71	415.42	5.16	-63.55
CC(C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300030612571	0	55	0.0	-70.99	398.90	4.45	-66.54
CC(C)[N@@H+]1CCCCC1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030612574	0	55	0.0	-68.66	396.76	4.56	-64.10
CC(C)[N@H+]1CCCCC1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030612574	1	55	0.0	-69.24	396.95	4.57	-64.67
CC(C)[N@@H+]1CCCC1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030612609	0	52	0.0	-71.01	382.59	4.25	-66.76
CC(C)[N@H+]1CCCC1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030612609	1	52	0.0	-69.56	388.73	4.10	-65.46
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@@H+]2C1	REAL300030612636	0	53	0.0	-73.48	397.28	4.74	-68.74
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@H+]2C1	REAL300030612636	1	53	0.0	-70.92	397.30	4.71	-66.21
CC(C)C1=[NH+]C=CN1CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030612672	1	50	0.0	-69.62	395.59	4.73	-64.89
CC1=[NH+]C=CN1CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030612728	1	44	0.0	-70.62	359.60	3.60	-67.02
CC(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030612730	0	53	0.0	-76.45	401.05	2.69	-73.76
O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030612752	0	55	0.0	-74.71	415.28	5.23	-69.48
CC(C)(C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300030612781	0	55	0.0	-72.66	399.21	4.95	-67.71
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCC1CC2	REAL300030612800	0	50	0.0	-77.71	371.24	3.76	-73.95
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1CCCC2CCC[N@@H+]21	REAL300030612863	0	53	0.0	-67.53	394.11	4.83	-62.70
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1CCCC2CCC[N@H+]21	REAL300030612863	1	53	0.0	-56.23	368.17	4.95	-51.28
C[NH+](C)CCN1C=C(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C=N1	REAL300030612865	0	52	0.0	-80.76	414.29	3.48	-77.28
C[NH+](C)CCN1C=CC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)=N1	REAL300030612881	0	52	0.0	-82.86	414.65	3.50	-79.36
C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030612888	0	49	0.0	-67.98	359.91	3.90	-64.08
C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030612888	1	49	0.0	-77.02	372.77	3.23	-73.79
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030612891	1	53	0.0	-68.95	415.80	5.20	-63.75
CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030612894	0	52	0.0	-75.92	386.47	3.67	-72.25
CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030612894	1	52	0.0	-75.45	391.73	4.02	-71.43
CC[N@@H+]1CCOC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030612920	1	50	0.0	-56.39	363.68	3.79	-52.60
CC[N@H+]1CCOC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030612920	1	50	0.0	-83.63	384.97	3.08	-80.55
CC[NH+](CC)CC(F)C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030612989	0	51	0.0	-74.97	387.12	3.61	-71.36
C[NH+](C)CC1=C(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)SC=C1	REAL300030612990	0	49	0.0	-67.04	395.82	4.56	-62.48
CC1CCC(C)[NH+]1CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030613106	0	52	0.0	-72.64	377.61	3.62	-69.02
O=C(CCC[NH+]1CCCC1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030613113	0	52	0.0	-74.57	399.68	4.53	-70.04
C[NH+](C)CC1=CC=CC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)=C1	REAL300030613114	0	52	0.0	-66.25	400.85	6.17	-60.08
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030613121	0	51	0.0	-78.52	399.43	4.80	-73.72
O=C(CC[NH+]1CCCCC1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030613122	0	52	0.0	-75.09	393.79	4.42	-70.67
C[NH+](C)CC1=CC=CC=C1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030613126	0	52	0.0	-62.20	394.80	6.60	-55.60
CC[N@@H+]1CCCCC1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030613136	0	52	0.0	-70.76	389.68	4.23	-66.53
CC[N@H+]1CCCCC1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030613136	1	52	0.0	-69.26	389.61	4.23	-65.03
CC(C)C(C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300030613137	0	58	0.0	-70.41	417.94	6.30	-64.11
C[NH+](C)C(C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030613140	1	52	0.0	-71.30	404.72	5.47	-65.83
CC(C)C[N@@H+]1CCC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030613166	0	55	0.0	-74.60	414.62	4.98	-69.62
CC(C)C[N@H+]1CCC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030613166	1	55	0.0	-74.66	414.81	4.91	-69.75
C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300030613170	0	49	0.0	-76.31	362.63	3.53	-72.78
C[NH+](C)C(CN1C=CC=N1)C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030613172	1	52	0.0	-61.41	388.89	4.69	-56.72
CC(C)[N@@H+]1CCCC1CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030613178	0	55	0.0	-68.53	401.51	4.11	-64.42
CC(C)[N@H+]1CCCC1CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030613178	1	55	0.0	-57.71	407.01	5.63	-52.08
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1CCC[N@@H+]1C1CCCC1	REAL300030613179	0	56	0.0	-74.04	406.61	5.29	-68.75
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1CCC[N@H+]1C1CCCC1	REAL300030613179	1	56	0.0	-70.56	415.90	5.54	-65.02
CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030613206	0	51	0.0	-72.64	376.38	4.47	-68.17
C[N@H+](CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030613272	0	49	0.0	-72.43	376.18	3.98	-68.45
C[N@@H+](CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030613272	1	49	0.0	-73.01	376.00	3.97	-69.04
CC(C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300030613367	0	55	0.0	-68.81	400.86	4.33	-64.48
CN(CCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CC=[NH+]C=C1	REAL300030613449	0	51	0.0	-70.35	404.51	3.66	-66.69
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030613462	1	48	0.0	-72.82	376.43	3.75	-69.07
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030613462	1	48	0.0	-72.25	382.28	4.27	-67.98
C[N@@H+]1CCCC1CCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030613472	0	52	0.0	-73.18	391.85	4.00	-69.18
C[N@H+]1CCCC1CCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030613472	1	52	0.0	-73.66	391.84	4.03	-69.63
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+](CCC1)C2	REAL300030613486	0	53	0.0	-63.89	377.51	4.95	-58.94
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1CCC2CCCC[N@@H+]21	REAL300030613494	0	53	0.0	-68.82	397.65	4.93	-63.89
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1CCC2CCCC[N@H+]21	REAL300030613494	1	53	0.0	-55.71	384.69	5.40	-50.31
CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030613503	0	56	0.0	-61.52	401.07	3.86	-57.66
O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030613523	0	55	0.0	-74.65	420.08	5.24	-69.41
C[N@H+](CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300030613526	1	52	0.0	-79.14	406.51	5.57	-73.57
C[N@@H+](CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300030613526	1	52	0.0	-62.77	401.73	6.52	-56.25
C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030613544	0	49	0.0	-77.30	374.43	3.65	-73.65
C[NH+](C)CC1=CC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)=NO1	REAL300030613611	1	48	0.0	-79.98	388.05	2.95	-77.03
CC1=C(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300030613613	0	47	0.0	-76.90	382.29	5.73	-71.17
C[N@@H+]1CCCCC1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030613662	0	49	0.0	-71.91	371.79	3.57	-68.34
C[N@H+]1CCCCC1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030613662	1	49	0.0	-72.55	362.43	3.42	-69.13
CC(C)C[N@@H+]1CCCC1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030613696	0	55	0.0	-71.89	398.75	5.09	-66.80
CC(C)C[N@H+]1CCCC1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030613696	1	55	0.0	-70.95	414.56	5.17	-65.78
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CN2C=[NH+]C=C2C=C1	REAL300030613862	0	44	0.0	-74.67	360.15	5.47	-69.20
CC1=[NH+]C=CN1CCCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030613877	1	50	0.0	-71.40	400.79	4.88	-66.52
O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030613881	1	56	0.0	-78.07	428.13	3.57	-74.50
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300030613887	0	52	0.0	-64.35	400.99	6.20	-58.15
O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030613888	1	50	0.0	-78.79	385.48	1.98	-76.81
C[NH+](C)C(C)(C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030613908	0	55	0.0	-80.33	404.95	5.65	-74.68
CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030613916	0	60	0.0	-75.26	447.94	5.90	-69.36
CC[N@H+](C)C(C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030613917	0	55	0.0	-59.28	410.96	6.97	-52.31
CC[N@@H+](C)C(C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030613917	1	55	0.0	-70.08	422.35	6.13	-63.95
CC1=C[NH+]=CN1CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030613940	1	44	0.0	-74.27	359.92	4.33	-69.94
O=C(CN1C=[NH+]C2=C1CCCC2)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030613953	1	51	0.0	-73.53	401.76	6.06	-67.47
C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL300030614001	0	58	0.0	-68.56	380.03	5.74	-62.82
C[NH+](C)CCC1=CC=CC=C1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030614002	0	55	0.0	-67.19	412.88	7.10	-60.09
C[N@H+](CCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300030614008	0	58	0.0	-76.54	428.19	5.58	-70.96
C[N@@H+](CCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300030614008	1	58	0.0	-76.33	428.24	5.58	-70.75
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+]1CCC2	REAL300030614013	0	50	0.0	-74.11	374.49	3.94	-70.17
C[NH+](C)C1CCCC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030614053	0	55	0.0	-69.58	402.28	4.66	-64.92
C[N@@H+]1CCC(CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030614060	0	49	0.0	-77.01	376.32	3.58	-73.43
C[N@H+]1CCC(CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030614060	1	49	0.0	-76.01	376.25	3.57	-72.44
CN(C)C1=CC=[NH+]C=C1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030614074	0	48	0.0	-81.10	380.73	2.77	-78.33
CCC(C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030614080	0	48	0.0	-71.10	360.21	2.98	-68.12
C[NH+](C)C1(CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300030614104	0	55	0.0	-77.01	394.05	4.41	-72.60
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CC2=C[NH+]=CN2C=C1	REAL300030614176	1	44	0.0	-78.69	360.42	5.49	-73.20
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300030614221	1	47	0.0	-82.39	389.67	3.42	-78.97
C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030614256	0	51	0.0	-62.83	389.00	4.85	-57.98
CC(C)C(C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030614278	0	51	0.0	-58.06	370.23	4.58	-53.48
CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030614280	0	51	0.0	-76.41	391.46	3.93	-72.48
CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030614280	1	51	0.0	-76.32	391.38	3.95	-72.37
CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030614287	0	48	0.0	-60.49	364.35	4.34	-56.15
CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030614287	1	48	0.0	-74.84	369.08	3.41	-71.43
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C12CC[N@H+](C1)CCC2	REAL300030614318	0	50	0.0	-74.58	371.78	3.18	-71.40
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C12CC[N@@H+](C1)CCC2	REAL300030614318	1	50	0.0	-75.08	371.66	3.20	-71.88
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030614387	0	46	0.0	-72.54	349.99	2.52	-70.02
C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030614387	1	46	0.0	-71.05	356.27	3.07	-67.98
CC1CC2CCC(C(=O)N[C@@H]3C[C@H]4[C@@H]3CCN4C(=O)C3=CC(=O)[N-]O3)C[N@@H+]2C1	REAL300030614415	0	56	0.0	-71.83	418.06	5.30	-66.53
CC1CC2CCC(C(=O)N[C@@H]3C[C@H]4[C@@H]3CCN4C(=O)C3=CC(=O)[N-]O3)C[N@H+]2C1	REAL300030614415	1	56	0.0	-71.97	417.59	5.34	-66.63
CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030614472	0	57	0.0	-61.54	428.85	6.67	-54.87
CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030614472	1	57	0.0	-61.62	428.85	6.66	-54.96
CC[NH+](CC)C(C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300030614483	0	57	0.0	-67.05	410.05	5.25	-61.80
CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030614494	0	48	0.0	-73.03	361.45	3.04	-69.99
CCC[N@@H+]1CCCC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030614528	0	55	0.0	-58.24	402.46	6.14	-52.10
CCC[N@H+]1CCCC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030614528	1	55	0.0	-68.86	407.39	5.22	-63.64
CC(C)[N@@H+]1CCOC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030614552	1	53	0.0	-77.01	394.64	3.42	-73.59
CC(C)[N@H+]1CCOC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030614552	1	53	0.0	-72.58	394.84	3.41	-69.17
CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030614594	0	52	0.0	-75.19	392.92	4.49	-70.70
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300030614626	1	47	0.0	-71.74	382.84	4.16	-67.58
C[NH+]1CCC(OCC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030614636	0	53	0.0	-66.09	405.00	4.99	-61.10
C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030614655	0	49	0.0	-73.10	380.85	3.68	-69.42
CC1=[NH+]C=C2CCC(C(=O)N[C@@H]3C[C@H]4[C@@H]3CCN4C(=O)C3=CC(=O)[N-]O3)CN21	REAL300030614656	1	51	0.0	-68.56	397.49	4.73	-63.83
CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030614763	0	55	0.0	-74.94	409.05	4.84	-70.10
C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030614794	0	49	0.0	-77.30	374.43	3.65	-73.65
CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030614817	0	51	0.0	-52.65	372.74	4.67	-47.98
CCC(C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300030614856	0	54	0.0	-68.53	396.17	4.36	-64.17
CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030614955	0	48	0.0	-75.70	369.96	3.19	-72.51
CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030614955	1	48	0.0	-75.56	369.88	3.20	-72.36
CC1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030615037	0	49	0.0	-71.30	368.53	3.37	-67.93
CC1CCC[N@H+]1CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030615037	1	49	0.0	-57.01	368.90	4.49	-52.52
CC1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030615040	0	49	0.0	-73.88	375.22	3.68	-70.20
CC1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030615040	1	49	0.0	-74.18	375.16	3.74	-70.44
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030615041	0	55	0.0	-57.84	402.72	5.09	-52.75
CC(C)(C)[N@H+]1CCC(F)(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030615041	1	55	0.0	-69.08	412.29	4.27	-64.81
CC1=[NH+]C=C2CC(C(=O)N[C@@H]3C[C@H]4[C@@H]3CCN4C(=O)C3=CC(=O)[N-]O3)CCN21	REAL300030615043	1	51	0.0	-71.01	399.16	4.75	-66.26
C[NH+](C)CCC1=CC=C(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300030615045	0	55	0.0	-66.26	423.48	7.03	-59.23
CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030615047	0	52	0.0	-73.94	394.75	4.22	-69.72
CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030615047	1	52	0.0	-73.96	394.77	4.21	-69.75
C[N@H+](CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030615048	0	54	0.0	-59.73	392.77	5.24	-54.49
C[N@@H+](CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030615048	1	54	0.0	-74.80	399.96	4.53	-70.27
C[N@H+](CCC1=CC=CC=C1)CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030615049	0	55	0.0	-78.99	429.00	6.42	-72.57
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030615049	1	55	0.0	-78.84	428.99	6.43	-72.41
CC[C@@H](C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030615061	0	48	0.0	-58.86	355.75	3.92	-54.94
CC(COCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCC1	REAL300030615069	0	56	0.0	-59.46	424.27	5.72	-53.74
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1CC[NH+](CC2CC2)CC1	REAL300030615171	0	56	0.0	-76.82	421.29	5.59	-71.23
C[NH+]1CCC(O)(CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030615328	0	53	0.0	-74.90	400.72	2.28	-72.62
COCC[N@@H+]1CCCC1CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030615335	0	56	0.0	-65.16	420.29	3.90	-61.26
COCC[N@H+]1CCCC1CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030615335	1	56	0.0	-73.00	428.24	3.46	-69.54
C[NH+](C)CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030615343	0	42	0.0	-75.11	329.78	1.99	-73.12
O=C(C[NH+]1CCC(CO)CC1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030615348	1	53	0.0	-77.66	403.18	1.16	-76.50
O=C(C[NH+]1CCCCCC1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030615352	0	52	0.0	-73.86	380.84	4.01	-69.85
CN1C=C[N+](CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)=C1	REAL300030615357	0	44	0.0	-58.10	355.17	6.20	-51.90
C[N@@H+]1CCCC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030615368	0	49	0.0	-67.84	368.21	3.81	-64.03
C[N@H+]1CCCC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030615368	1	49	0.0	-59.15	354.83	4.51	-54.64
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1CCC[N@@H+]1C1CC1	REAL300030615374	0	50	0.0	-55.62	376.79	5.28	-50.34
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1CCC[N@H+]1C1CC1	REAL300030615374	1	50	0.0	-71.50	380.59	3.84	-67.66
CC(C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030615414	1	46	0.0	-71.46	357.57	3.01	-68.45
CCC(CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030615424	0	54	0.0	-69.00	405.03	4.61	-64.39
C[NH+](C)CC(C)(C)C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030615433	0	51	0.0	-60.15	370.85	4.59	-55.56
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C12CC(C1)C[N@@H+]2C1CC1	REAL300030615457	0	51	0.0	-74.12	393.48	4.56	-69.56
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C12CC(C1)C[N@H+]2C1CC1	REAL300030615457	1	51	0.0	-73.11	382.63	5.07	-68.04
O=C(C[NH+]1CCC(O)CC1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030615481	1	50	0.0	-78.65	382.67	0.51	-78.14
C[N@H+](CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030615483	0	46	0.0	-58.46	354.45	4.32	-54.14
C[N@@H+](CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030615483	1	46	0.0	-72.50	359.57	3.39	-69.11
CC(C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300030615484	1	54	0.0	-73.71	403.11	1.83	-71.88
C[NH+]1CC(CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030615514	0	46	0.0	-75.60	361.29	2.79	-72.81
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1CC[N@@H+]1C1CCCC1	REAL300030615518	0	53	0.0	-74.23	402.41	4.94	-69.29
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1CC[N@H+]1C1CCCC1	REAL300030615518	1	53	0.0	-57.76	393.05	5.47	-52.29
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030615527	0	52	0.0	-57.01	368.69	4.02	-52.99
CC(C)(C)[N@H+]1CCC1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030615527	1	52	0.0	-71.08	391.67	3.74	-67.34
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300030615538	0	52	0.0	-73.64	407.72	2.60	-71.04
C[C@@H](C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030615541	0	45	0.0	-59.27	343.31	3.40	-55.87
CCC1CCC[N@H+](CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030615595	0	55	0.0	-74.93	403.81	5.07	-69.86
CCC1CCC[N@@H+](CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030615595	1	55	0.0	-59.59	405.94	6.04	-53.55
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)N1	REAL300030615604	0	50	0.0	-83.89	396.76	3.40	-80.49
C[NH+]1C2CCC1CC(CC(=O)N[C@@H]1C[C@H]3[C@@H]1CCN3C(=O)C1=CC(=O)[N-]O1)C2	REAL300030615619	0	56	0.0	-73.23	395.61	4.45	-68.78
C[NH+](C)C(CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030615626	0	55	0.0	-60.83	408.86	6.79	-54.04
[NH2+]=C1SC=CN1CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030615668	0	42	0.0	-71.08	357.22	2.17	-68.91
C[N@H+](CCO)CCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030615682	0	49	0.0	-75.16	380.25	-0.01	-75.17
C[N@@H+](CCO)CCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030615682	1	49	0.0	-75.29	380.29	-0.05	-75.34
C[C@@H](C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030615683	0	45	0.0	-59.27	343.31	3.40	-55.87
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030615688	0	49	0.0	-71.64	362.55	3.42	-68.22
C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030615688	1	49	0.0	-70.29	371.84	3.60	-66.69
CC1CN2CC[N@@H+]1CC2C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030615698	0	52	0.0	-77.08	382.74	0.96	-76.12
CC1CN2CC[N@H+]1CC2C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030615698	1	52	0.0	-60.29	377.91	1.93	-58.36
COC1C[N@@H+]2CCCC2(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030615751	0	54	0.0	-68.35	407.39	2.82	-65.53
COC1C[N@H+]2CCCC2(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030615751	1	54	0.0	-73.97	407.77	2.96	-71.01
O=C(CC1=CC2=C[NH+]=CN2C=C1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030615767	0	47	0.0	-73.02	384.56	6.17	-66.85
C[N@H+](CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300030615801	0	50	0.0	-79.54	389.35	4.21	-75.33
C[N@@H+](CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300030615801	1	50	0.0	-80.21	389.43	4.22	-75.99
O=C(C[NH+]1CCC1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030615802	1	43	0.0	-74.72	339.87	2.46	-72.26
C[NH+](C)CC1=CC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)=CC=N1	REAL300030615841	1	51	0.0	-64.67	398.23	4.53	-60.14
C[N@@H+]1CCC(=CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030615843	0	47	0.0	-77.29	367.75	3.55	-73.74
C[N@H+]1CCC(=CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030615843	1	47	0.0	-65.03	361.55	4.31	-60.72
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1C[NH+](C2CCCCC2)C1	REAL300030615871	0	56	0.0	-77.65	422.14	5.30	-72.35
C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030615890	0	49	0.0	-73.49	385.89	3.03	-70.46
CCCCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030615897	0	57	0.0	-77.42	434.45	5.49	-71.93
CCCCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030615897	1	57	0.0	-77.26	434.37	5.50	-71.76
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)O1	REAL300030615907	0	53	0.0	-75.11	407.04	4.20	-70.91
C=CCC(C)(C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030615919	0	52	0.0	-75.36	381.51	3.80	-71.56
C[S+](C)CCC(O)C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030615924	0	48	0.0	-58.99	389.98	2.57	-56.42
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030615962	0	50	0.0	-80.07	377.98	0.06	-80.01
CN1CC[N@H+](C)CC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030615977	0	54	0.0	-73.61	398.90	1.56	-72.05
CN1CC[N@@H+](C)CC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030615977	1	54	0.0	-73.61	398.90	1.56	-72.05
CC(C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300030615978	0	53	0.0	-58.72	394.61	1.80	-56.92
O=C(CN1CCC(CO)CC1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030615994	0	53	0.0	-77.66	403.18	1.16	-76.50
O=C(C[NH+]1CCC(CO)CC1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030615994	1	53	0.0	-77.66	403.18	1.16	-76.50
C[N@@H+]1CCCC(O)(CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030616005	0	53	0.0	-73.66	387.71	2.25	-71.41
C[N@H+]1CCCC(O)(CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030616005	1	53	0.0	-73.66	387.71	2.25	-71.41
CC1CN(CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030616009	0	46	0.0	-74.71	361.11	3.08	-71.63
CC1C[NH+](CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030616009	1	46	0.0	-74.71	361.11	3.08	-71.63
CN(CCO)CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030616040	0	46	0.0	-60.68	353.20	0.35	-60.33
C[N@H+](CCO)CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030616040	1	46	0.0	-74.76	357.71	-0.58	-75.34
C[N@@H+](CCO)CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030616040	1	46	0.0	-74.76	357.71	-0.58	-75.34
C[NH+]1C2CCC1CC(=CC(=O)N[C@@H]1C[C@H]3[C@@H]1CCN3C(=O)C1=CC(=O)[N-]O1)C2	REAL300030616066	0	54	0.0	-63.84	396.71	5.65	-58.19
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1C[N@@H+]2CCN1CCC2	REAL300030616071	0	52	0.0	-63.17	369.53	2.00	-61.17
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1C[N@H+]2CCN1CCC2	REAL300030616071	1	52	0.0	-63.17	369.53	2.00	-61.17
CC[N@@H+]1CCCC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030616080	0	52	0.0	-59.40	387.20	5.19	-54.21
CC[N@H+]1CCCC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030616080	1	52	0.0	-59.40	387.20	5.19	-54.21
CC(CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030616082	0	51	0.0	-75.42	386.82	4.00	-71.42
CC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030616099	0	45	0.0	-74.45	347.58	2.66	-71.79
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C12CCC[N@@H+]1CCCC2	REAL300030616130	0	53	0.0	-68.91	385.66	4.52	-64.39
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C12CCC[N@H+]1CCCC2	REAL300030616130	1	53	0.0	-68.91	385.66	4.52	-64.39
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C12CCC[N@@H+]1CC=CC2	REAL300030616140	0	51	0.0	-55.98	370.02	5.05	-50.93
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C12CCC[N@H+]1CC=CC2	REAL300030616140	1	51	0.0	-55.98	370.02	5.05	-50.93
CC[N@H+](CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030616169	0	49	0.0	-58.50	366.62	4.86	-53.64
CC[NH+](CC)CCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030616194	0	51	0.0	-74.75	387.81	3.89	-70.86
CC1(C)CN(CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030616228	0	49	0.0	-74.86	380.78	3.60	-71.26
CC1(C)C[NH+](CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030616228	1	49	0.0	-74.86	380.78	3.60	-71.26
O=C(CCCC[NH+]1CCCCC1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030616234	0	58	0.0	-74.79	436.78	6.00	-68.79
CC1(O)CC[N@H+](CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030616269	0	50	0.0	-73.81	385.84	0.39	-73.42
C[NH+](C)CC=CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030616282	0	46	0.0	-78.23	365.85	3.20	-75.03
CC(OCC[NH+](C)C)C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030616312	0	52	0.0	-62.26	399.86	4.73	-57.53
C[NH+](C)CCOCCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030616324	0	52	0.0	-74.15	406.61	2.77	-71.38
COCCN(C)CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030616325	0	49	0.0	-59.91	375.53	2.78	-57.13
COCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030616325	1	49	0.0	-60.48	375.46	2.75	-57.73
COCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030616325	1	49	0.0	-60.48	375.46	2.75	-57.73
COCCCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030616358	0	58	0.0	-80.08	446.55	3.80	-76.28
COCCCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030616358	1	58	0.0	-80.08	446.55	3.80	-76.28
C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300030616384	0	52	0.0	-53.98	373.26	5.05	-48.93
CC(CCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030616387	0	51	0.0	-76.53	383.18	3.72	-72.81
CCN1CCC1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030616398	0	46	0.0	-57.88	355.21	3.67	-54.21
CC[N@@H+]1CCC1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030616398	1	46	0.0	-73.19	353.61	2.64	-70.55
CC[N@H+]1CCC1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030616398	1	46	0.0	-73.19	353.61	2.64	-70.55
CC(C)[N@@H+]1CCCC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030616413	0	55	0.0	-71.94	408.80	4.78	-67.16
CC(C)[N@H+]1CCCC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030616413	1	55	0.0	-71.94	408.80	4.78	-67.16
CC(C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)[N@H+](C)CC1=CC=CC=C1	REAL300030616420	0	55	0.0	-75.28	424.84	5.96	-69.32
O=C(C[N@H+]1CCCC1CO)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030616429	0	50	0.0	-74.01	379.46	0.07	-73.94
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@@H+]2C1	REAL300030616459	0	53	0.0	-70.92	397.30	4.71	-66.21
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@H+]2C1	REAL300030616459	1	53	0.0	-70.92	397.30	4.71	-66.21
C[NH+]1CCC(C)(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030616469	0	52	0.0	-62.16	376.40	4.63	-57.53
C=CCC(C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030616515	0	49	0.0	-71.45	373.55	3.50	-67.95
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030616535	0	52	0.0	-70.98	391.28	4.00	-66.98
C[NH+](C)CCCCCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030616540	0	54	0.0	-75.16	416.72	4.90	-70.26
CC1C[N@@H+]2CCN1C(C(=O)N[C@@H]1C[C@H]3[C@@H]1CCN3C(=O)C1=CC(=O)[N-]O1)C2	REAL300030616592	0	52	0.0	-82.34	382.85	1.01	-81.33
CCCC(C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030616593	0	51	0.0	-72.80	384.11	3.90	-68.90
C[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030616598	0	48	0.0	-76.13	357.45	3.16	-72.97
CC[NH+](CC)CCSCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030616641	0	55	0.0	-77.13	428.15	4.99	-72.14
C[N@@H+]1CCCCC1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030616653	0	49	0.0	-72.55	362.43	3.42	-69.13
C[N@H+]1CC=C(CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030616709	0	50	0.0	-71.59	389.31	4.31	-67.28
C[N@@H+]1CC=C(CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030616709	1	50	0.0	-71.59	389.31	4.31	-67.28
O=C(CC1([NH+]2CCCC2)CC1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030616721	0	53	0.0	-71.39	396.01	4.72	-66.67
C[N@@H+]1CCCC(C(C)(C)C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030616780	0	58	0.0	-76.09	412.29	4.69	-71.40
C[N@H+]1CCCC(C(C)(C)C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030616780	1	58	0.0	-76.35	412.47	4.67	-71.68
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)O1	REAL300030616785	1	49	0.0	-59.30	389.69	4.72	-54.58
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C=N1	REAL300030616791	0	51	0.0	-77.94	403.85	3.61	-74.33
O=C(C=CC[NH+]1CCCC1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030616809	0	50	0.0	-62.49	387.44	5.35	-57.14
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1CC[NH+](C2CC2)CC1	REAL300030616838	0	53	0.0	-74.75	399.60	4.85	-69.90
C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030616863	0	46	0.0	-74.77	358.29	3.36	-71.41
O=C(CC[NH+]1CCCC1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030616867	0	49	0.0	-75.23	378.19	3.72	-71.51
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCN1CC2	REAL300030616922	0	49	0.0	-82.18	366.28	0.48	-81.70
C[N@@H+]1CC2CC1(C(=O)N[C@@H]1C[C@H]3[C@@H]1CCN3C(=O)C1=CC(=O)[N-]O1)C2	REAL300030616933	0	47	0.0	-75.36	362.22	3.15	-72.21
C[N@H+]1CC2CC1(C(=O)N[C@@H]1C[C@H]3[C@@H]1CCN3C(=O)C1=CC(=O)[N-]O1)C2	REAL300030616933	1	47	0.0	-77.65	360.22	3.28	-74.37
O=C(C[N@@H+]1CC2CCC1C2)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030616949	0	50	0.0	-72.59	376.67	4.10	-68.49
O=C(C[N@H+]1CC2CCC1C2)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030616949	1	50	0.0	-72.11	374.16	3.91	-68.20
CC(C)[NH+]1CCC(CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030616963	0	58	0.0	-70.95	427.27	5.54	-65.41
O=C(C=C1C[NH+]2CCC1CC2)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030617015	0	51	0.0	-64.47	381.42	5.30	-59.17
O=C(C[N@@H+]1CC2C=CC1C2)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030617029	1	48	0.0	-72.80	369.04	3.97	-68.83
O=C(C[N@H+]1CC2C=CC1C2)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030617029	1	48	0.0	-71.31	368.93	3.87	-67.44
C[NH+](C)CC(C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030617070	0	55	0.0	-78.41	421.26	6.92	-71.49
CC[NH+]1CCN(CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030617073	0	54	0.0	-73.30	406.93	2.16	-71.14
CC(C[NH+](C)C)C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030617099	0	48	0.0	-61.07	363.48	4.20	-56.87
C[N@@H+]1CCCCC1CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030617204	0	52	0.0	-76.29	389.19	4.17	-72.12
C[N@H+]1CCCCC1CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030617204	1	52	0.0	-67.02	381.52	4.04	-62.98
CC1=C2C=C(C(=O)N[C@@H]3C[C@H]4[C@@H]3CCN4C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030617227	1	47	0.0	-76.78	382.32	6.05	-70.73
CC(C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300030617228	1	49	0.0	-71.76	378.91	3.68	-68.08
CC1CC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030617232	1	46	0.0	-73.12	361.18	3.06	-70.06
CC1CC[N@H+]1CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030617232	1	46	0.0	-73.62	361.27	3.04	-70.58
C[NH+](C)CC(O)CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030617237	0	49	0.0	-64.72	377.70	1.94	-62.78
CC1C[N@H+](C)CC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)O1	REAL300030617276	1	50	0.0	-84.96	381.88	3.14	-81.82
CC1C[N@@H+](C)CC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)O1	REAL300030617276	1	50	0.0	-86.66	381.49	2.74	-83.92
O=C(CC[NH+]1CCC(O)CC1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030617289	0	53	0.0	-78.64	404.87	1.07	-77.57
CCC[N@@H+]1CCCCC1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030617292	0	55	0.0	-70.89	401.65	4.81	-66.08
CCC[N@H+]1CCCCC1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030617292	1	55	0.0	-71.68	401.63	4.82	-66.86
CC[NH+]1CCN(CCC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030617297	0	57	0.0	-61.86	422.19	3.38	-58.48
CCN1CC[NH+](CCC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030617297	1	57	0.0	-76.65	428.47	2.63	-74.02
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300030617300	0	56	0.0	-74.81	400.55	4.74	-70.07
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300030617300	1	56	0.0	-57.53	399.75	6.42	-51.11
CC(C)C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030617350	0	58	0.0	-76.91	430.90	5.73	-71.18
C[NH+](C)C1CCN(CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030617378	0	57	0.0	-74.55	423.76	2.69	-71.86
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030617401	0	49	0.0	-75.57	379.35	3.72	-71.85
CC(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030617409	0	51	0.0	-75.29	390.05	3.86	-71.43
C[N@H+](CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300030617443	0	53	0.0	-70.19	400.41	1.41	-68.78
C[N@@H+](CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300030617443	1	53	0.0	-72.57	400.64	1.38	-71.19
C#CC[N@H+]1CCCCC1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030617453	1	51	0.0	-70.46	397.08	4.79	-65.67
C#CC[N@@H+]1CCCCC1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030617453	1	51	0.0	-71.44	387.63	4.62	-66.82
C[NH+](C)C(CC1=CC=CC=C1)C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030617458	0	55	0.0	-77.37	418.70	5.90	-71.47
C[NH+]1CCN(CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030617460	1	51	0.0	-74.56	389.19	1.49	-73.07
CC[NH+]1CCN(CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030617472	0	54	0.0	-73.30	406.93	2.16	-71.14
NC(=[NH2+])SCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030617506	0	40	0.0	-76.01	338.54	-1.15	-77.16
CC[N@@H+]1CCOCC1CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030617554	0	53	0.0	-61.26	388.67	3.24	-58.02
C[NH+](C)CCC1(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300030617573	0	58	0.0	-74.91	431.18	5.58	-69.33
CC1CCCC(C)[NH+]1CCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030617575	0	58	0.0	-72.36	420.45	5.07	-67.29
C[NH+](C)C1CCC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030617578	0	55	0.0	-72.74	402.16	4.66	-68.08
C[NH+](C)CCC1(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030617579	0	52	0.0	-73.93	404.64	4.54	-69.39
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030617583	0	55	0.0	-68.07	402.06	4.68	-63.39
C[N@@H+]1CC=CCC1CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030617584	0	50	0.0	-67.76	376.21	3.98	-63.78
C[N@H+]1CC=CCC1CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030617584	1	50	0.0	-67.76	376.21	3.98	-63.78
C[C@@H](OCC[NH+](C)C)C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030617616	0	52	0.0	-71.20	405.46	3.73	-67.47
C[NH+]1C2CCC1CC(C(=O)N[C@@H]1C[C@H]3[C@@H]1CCN3C(=O)C1=CC(=O)[N-]O1)C2	REAL300030617651	0	53	0.0	-73.77	373.04	4.49	-69.28
CC(C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300030617814	1	50	0.0	-77.37	382.67	3.89	-73.48
CCC1C[NH+](CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030617817	1	49	0.0	-75.61	382.45	3.84	-71.77
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1C[NH+](C2CCOCC2)C1	REAL300030617819	0	54	0.0	-63.52	407.13	3.63	-59.89
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1([NH+]2CCCC2)CCC1	REAL300030617821	0	53	0.0	-69.84	390.94	4.82	-65.02
C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030617832	1	46	0.0	-74.50	349.80	2.53	-71.97
O=C(CC[N@@H+]1CCC(F)C1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030617842	1	49	0.0	-64.17	379.60	4.75	-59.42
COC1C[N@H+](C)C(C)(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030617851	0	53	0.0	-79.42	399.42	2.66	-76.76
COC1C[N@@H+](C)C(C)(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030617851	1	53	0.0	-74.22	400.04	2.45	-71.77
O=C(CC[NH+]1CCCCCC1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030617864	0	55	0.0	-77.18	403.88	4.62	-72.56
O=C(C[NH+]1CCCCC1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030617867	0	49	0.0	-58.96	365.33	4.59	-54.37
CC1C(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030617877	0	49	0.0	-60.17	371.46	4.34	-55.83
CC1C(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030617877	1	49	0.0	-73.87	375.45	3.57	-70.30
C[N@@H+]1CCCCC1CCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030617880	0	55	0.0	-76.30	403.95	4.70	-71.60
C[N@H+]1CCCCC1CCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030617880	1	55	0.0	-77.66	403.74	4.72	-72.94
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1CC[N@@H+]2CCOCC12	REAL300030617918	0	51	0.0	-77.25	389.00	2.27	-74.98
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1CC[N@H+]2CCOCC12	REAL300030617918	1	51	0.0	-72.87	385.10	2.31	-70.56
CC1=[NH+]C=C2C=CC(C(=O)N[C@@H]3C[C@H]4[C@@H]3CCN4C(=O)C3=CC(=O)[N-]O3)=CN21	REAL300030617926	0	47	0.0	-70.91	381.55	5.26	-65.65
C[N@@H+]1CCOCC1CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030617949	1	50	0.0	-79.98	380.44	1.80	-78.18
C[N@H+]1CCOCC1CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030617949	1	50	0.0	-63.03	375.56	2.73	-60.30
CC1=C(C)[NH+]=C(CCC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)N1	REAL300030617961	1	50	0.0	-69.47	400.02	3.28	-66.19
C[NH+](C)CCC1=CC=CC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)=C1	REAL300030617973	0	55	0.0	-68.44	423.39	7.02	-61.42
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300030617977	1	53	0.0	-73.99	414.28	5.64	-68.35
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1CC[N@H+]1CC1=CC=CC=C1	REAL300030617977	1	53	0.0	-77.84	421.41	5.99	-71.85
CC(C)C[N@@H+]1CCCC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030617981	0	58	0.0	-59.72	419.65	6.23	-53.49
CC(C)C[N@H+]1CCCC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030617981	1	58	0.0	-58.11	411.32	6.58	-51.53
C[N@@H+]1CCCC1C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030618149	0	46	0.0	-70.59	351.42	2.60	-67.99
C[N@H+]1CCCC1C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030618149	1	46	0.0	-68.73	351.53	2.61	-66.12
CC1=[NH+]C=CN1CCCC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030618345	1	50	0.0	-58.09	397.47	5.77	-52.32
O=C(CCCC[NH+]1CCOCC1)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030618349	1	56	0.0	-75.80	431.05	3.75	-72.05
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C=C1	REAL300030618353	0	52	0.0	-80.59	404.76	5.09	-75.50
O=C(CC[NH+]1CCOCC1)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030618354	1	50	0.0	-75.47	388.15	2.16	-73.31
CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030618374	0	60	0.0	-72.57	450.87	6.10	-66.47
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC(=O)[N-]O1	REAL300030618402	1	44	0.0	-75.52	367.61	5.53	-69.99
C[NH+](C)C1CCCC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030618472	0	55	0.0	-73.74	411.90	4.84	-68.90
C[N@@H+]1CCC(CC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030618479	0	49	0.0	-73.72	379.67	3.71	-70.01
C[N@H+]1CCC(CC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030618479	1	49	0.0	-73.17	379.54	3.75	-69.42
CCC(C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[NH+](C)C	REAL300030618496	0	48	0.0	-58.17	356.28	4.04	-54.13
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1)C1=CC(=O)[N-]O1	REAL300030618506	1	47	0.0	-81.23	389.38	3.73	-77.50
CC1CC2CCC(C(=O)N3CC[C@@H]4[C@H](NC(=O)C5=CC(=O)[N-]O5)C[C@@H]43)C[N@@H+]2C1	REAL300030618551	0	56	0.0	-69.89	419.46	5.33	-64.56
CC1CC2CCC(C(=O)N3CC[C@@H]4[C@H](NC(=O)C5=CC(=O)[N-]O5)C[C@@H]43)C[N@H+]2C1	REAL300030618551	1	56	0.0	-69.12	420.70	5.33	-63.79
C[NH+](C)CCCCC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030618584	0	51	0.0	-73.97	398.15	4.30	-69.67
CCC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030618605	0	51	0.0	-73.53	394.40	4.13	-69.40
CCC[N@@H+](C)CCC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030618605	1	51	0.0	-73.48	394.50	4.14	-69.34
CCC[N@H+](C)CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030618610	0	48	0.0	-70.92	372.04	3.55	-67.37
CCC[N@@H+](C)CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030618610	1	48	0.0	-70.89	372.04	3.54	-67.35
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C12CC[N@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300030618634	0	50	0.0	-77.02	364.09	2.91	-74.11
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C12CC[N@@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300030618634	1	50	0.0	-72.02	362.81	2.81	-69.21
CCCCCC[N@H+](C)CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030618676	0	57	0.0	-72.21	436.53	5.89	-66.32
CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030618676	1	57	0.0	-72.23	436.58	5.87	-66.36
CC1CC[NH+](CC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300030618725	0	52	0.0	-71.19	395.65	4.60	-66.59
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C1=CC(=O)[N-]O1	REAL300030618751	1	47	0.0	-81.69	379.46	3.87	-77.82
C[NH+]1CCC(OCC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300030618759	0	53	0.0	-77.63	412.78	4.28	-73.35
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1CC2CCCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300030618819	0	53	0.0	-73.26	396.04	4.68	-68.58
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1CC2CCCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300030618819	1	53	0.0	-74.59	396.61	4.60	-69.99
C[NH+](C)CC1(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300030618833	0	49	0.0	-61.18	374.68	4.35	-56.83
CC1=[NH+]C=C2CCC(C(=O)N3CC[C@@H]4[C@H](NC(=O)C5=CC(=O)[N-]O5)C[C@@H]43)CN21	REAL300030618834	1	51	0.0	-67.45	401.26	4.70	-62.75
CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300030618844	0	55	0.0	-59.06	401.25	5.48	-53.58
CC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030618879	0	48	0.0	-72.69	373.00	3.38	-69.31
CC[N@@H+](C)CCC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030618879	1	48	0.0	-72.75	373.00	3.39	-69.36
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1C[NH+]2CCC1CC2)C1=CC(=O)[N-]O1	REAL300030618926	0	50	0.0	-64.50	364.59	4.58	-59.92
C[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300030619015	0	49	0.0	-74.83	376.03	3.67	-71.16
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1CC[NH+](CC2CC2)CC1)C1=CC(=O)[N-]O1	REAL300030619108	0	56	0.0	-76.13	425.47	5.85	-70.28
CC[NH+](CC)CC(F)C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030619152	0	51	0.0	-74.33	388.66	3.67	-70.66
CC(C)C[N@@H+]1CCC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030619187	0	55	0.0	-57.15	408.50	5.85	-51.30
CC(C)C[N@H+]1CCC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030619187	1	55	0.0	-70.66	412.83	4.93	-65.73
CCC(C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[NH+](CC)CC	REAL300030619217	0	54	0.0	-67.69	393.97	4.51	-63.18
CC1CCC[N@@H+]1CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030619242	0	49	0.0	-67.63	379.05	3.78	-63.85
CC1CCC[N@H+]1CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030619242	1	49	0.0	-67.39	371.81	3.49	-63.90
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030619330	1	53	0.0	-65.85	418.32	5.32	-60.53
CC(C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[NH+]1CCCCCC1	REAL300030619334	0	55	0.0	-67.34	400.68	4.45	-62.89
CC(C)[N@@H+]1CCCC1C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030619367	0	52	0.0	-65.40	386.54	3.95	-61.45
CC(C)[N@H+]1CCCC1C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030619367	1	52	0.0	-67.27	381.50	4.38	-62.89
CC(C)[N@@H+]1CCCC1CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030619377	0	55	0.0	-63.38	404.36	4.28	-59.10
CC(C)[N@H+]1CCCC1CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030619377	1	55	0.0	-65.68	401.74	4.21	-61.47
CC1CC[N@H+](CC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030619431	0	49	0.0	-69.84	378.26	3.82	-66.02
CC1CC[N@@H+](CC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030619431	1	49	0.0	-57.61	374.03	4.76	-52.85
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030619432	0	55	0.0	-66.85	409.56	4.20	-62.65
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030619432	1	55	0.0	-68.29	409.38	4.22	-64.07
CC1=[NH+]C=C2CC(C(=O)N3CC[C@@H]4[C@H](NC(=O)C5=CC(=O)[N-]O5)C[C@@H]43)CCN21	REAL300030619433	1	51	0.0	-69.04	401.48	4.76	-64.28
C[NH+](C)CCC1=CC=C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C=C1	REAL300030619435	0	55	0.0	-81.73	427.38	5.95	-75.78
CC1(C)CC[N@H+](CC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030619437	0	52	0.0	-69.92	397.73	4.39	-65.53
CC1(C)CC[N@@H+](CC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030619437	1	52	0.0	-69.90	398.14	4.39	-65.51
C[N@H+](CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21)CC(C)(C)C	REAL300030619438	0	54	0.0	-70.88	400.64	4.54	-66.34
C[N@@H+](CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21)CC(C)(C)C	REAL300030619438	1	54	0.0	-70.36	402.99	4.70	-65.66
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030619439	0	55	0.0	-74.85	431.99	6.55	-68.30
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030619439	1	55	0.0	-74.97	431.99	6.54	-68.43
CC[C@@H](C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[NH+](C)C	REAL300030619448	0	48	0.0	-68.84	362.36	3.12	-65.72
CC(COCC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[NH+]1CCCC1	REAL300030619455	0	56	0.0	-69.14	431.45	4.96	-64.18
CN(CCC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21)C1=CC=[NH+]C=C1	REAL300030619611	0	51	0.0	-68.00	407.55	3.83	-64.17
CC1=[NH+]C=CN1CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030619723	1	44	0.0	-67.91	362.44	3.72	-64.19
CC(C[NH+]1CCOCC1)C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030619725	1	53	0.0	-74.91	404.64	2.74	-72.17
O=C(CCC[NH+]1CCCCC1)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030619743	0	55	0.0	-72.33	418.29	5.40	-66.93
C[NH+](C)CC1=CC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=NO1	REAL300030619760	1	48	0.0	-78.92	389.05	3.29	-75.63
CC1=C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C=CC2=C[NH+]=CN21	REAL300030619762	0	47	0.0	-72.39	384.38	5.77	-66.62
CC(C)C1=[NH+]C=CN1CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030619813	1	50	0.0	-54.61	392.22	5.55	-49.06
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1CCCC2CCC[N@@H+]21)C1=CC(=O)[N-]O1	REAL300030619860	0	53	0.0	-64.67	398.36	4.82	-59.85
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1CCCC2CCC[N@H+]21)C1=CC(=O)[N-]O1	REAL300030619860	1	53	0.0	-67.05	384.66	4.14	-62.91
CC[N@@H+]1CCOC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030619892	1	50	0.0	-70.78	375.77	2.86	-67.92
CC[N@H+]1CCOC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030619892	1	50	0.0	-79.07	382.95	3.04	-76.03
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC(=O)[N-]O1	REAL300030619960	0	44	0.0	-73.13	367.50	5.50	-67.63
CC1=C[NH+]=CN1CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030619965	1	44	0.0	-57.19	356.23	5.16	-52.03
C[NH+](C)CCN1C=C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C=N1	REAL300030619971	0	52	0.0	-79.46	411.00	3.21	-76.25
C[NH+](C)CCN1C=CC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=N1	REAL300030619984	0	52	0.0	-83.69	414.74	3.78	-79.91
C[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC[N@@H+]1C	REAL300030619991	0	49	0.0	-74.21	368.39	3.06	-71.15
C[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC[N@H+]1C	REAL300030619991	1	49	0.0	-71.39	373.36	3.64	-67.75
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030619993	1	53	0.0	-65.94	418.76	5.38	-60.56
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC[N@@H+]1C	REAL300030619996	0	52	0.0	-56.71	379.35	4.32	-52.39
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC[N@H+]1C	REAL300030619996	1	52	0.0	-55.32	383.70	5.05	-50.27
CC1CCC(C)[NH+]1CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030620015	0	52	0.0	-66.71	389.83	4.02	-62.69
O=C(CCC[NH+]1CCCC1)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030620022	0	52	0.0	-59.40	395.21	5.34	-54.06
C[NH+](C)CC1=CC=CC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=C1	REAL300030620023	0	52	0.0	-67.37	401.58	5.92	-61.45
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300030620029	0	51	0.0	-76.14	400.84	4.82	-71.32
O=C(CC[NH+]1CCCCC1)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030620030	0	52	0.0	-72.19	396.79	4.58	-67.61
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030620049	1	51	0.0	-68.77	404.40	6.18	-62.59
C[NH+](C)CC1(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CCCCC1	REAL300030620084	0	58	0.0	-64.46	401.28	5.99	-58.47
C[N@H+](CCC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21)C1CCCCC1	REAL300030620088	0	58	0.0	-73.35	431.32	5.76	-67.59
C[N@@H+](CCC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21)C1CCCCC1	REAL300030620088	1	58	0.0	-73.61	431.32	5.77	-67.84
C[NH+](C)C1(CC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CCCC1	REAL300030620091	0	55	0.0	-74.25	396.89	4.57	-69.68
C[N@H+](CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21)C1CCC1	REAL300030620310	0	49	0.0	-68.76	379.07	4.10	-64.66
C[N@@H+](CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21)C1CCC1	REAL300030620310	1	49	0.0	-68.82	378.99	4.10	-64.72
CC(C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[NH+]1C(C)CCC1C	REAL300030620339	0	55	0.0	-65.92	389.68	3.82	-62.10
O=C(CCCC[NH+]1CCCC1)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030620359	0	55	0.0	-72.65	423.09	5.41	-67.24
C[N@H+](CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21)CC1=CC=CC=C1	REAL300030620362	1	52	0.0	-75.35	409.45	5.74	-69.61
C[N@@H+](CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21)CC1=CC=CC=C1	REAL300030620362	1	52	0.0	-75.25	409.56	5.71	-69.54
C[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300030620378	0	49	0.0	-74.83	376.03	3.67	-71.16
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030620433	0	46	0.0	-70.65	351.42	2.60	-68.05
C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030620433	1	46	0.0	-68.25	354.86	2.98	-65.27
C[N@@H+]1CCCC1CCC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030620464	0	52	0.0	-71.21	394.44	4.17	-67.04
C[N@H+]1CCCC1CCC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030620464	1	52	0.0	-74.85	397.08	4.48	-70.37
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1CCC2CCCC[N@@H+]21)C1=CC(=O)[N-]O1	REAL300030620480	0	53	0.0	-66.44	392.44	4.53	-61.91
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1CCC2CCCC[N@H+]21)C1=CC(=O)[N-]O1	REAL300030620480	1	53	0.0	-51.89	390.00	5.56	-46.33
CCC[N@@H+]1CCCC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030620565	0	55	0.0	-63.94	403.37	4.93	-59.01
CCC[N@H+]1CCCC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030620565	1	55	0.0	-71.95	415.43	5.02	-66.93
CC(C)[N@@H+]1CCOC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030620582	1	53	0.0	-68.94	392.55	3.36	-65.58
CC(C)[N@H+]1CCOC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030620582	1	53	0.0	-76.55	400.02	3.56	-72.99
O=C(C[NH+]1CCC(CO)CC1)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030620661	0	53	0.0	-74.19	406.31	1.30	-72.89
C[NH+]1C2CCC1CC(=CC(=O)N1CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]31)C2	REAL300030620702	0	54	0.0	-71.12	405.17	5.03	-66.09
CC1C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC[N@@H+]1C	REAL300030620721	0	49	0.0	-69.95	369.91	3.16	-66.79
CC1C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC[N@H+]1C	REAL300030620721	1	49	0.0	-71.09	370.04	3.15	-67.94
C[N@@H+]1CCCCC1CCC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030620725	0	55	0.0	-60.11	400.42	5.60	-54.51
C[N@H+]1CCCCC1CCC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030620725	1	55	0.0	-60.54	408.13	5.83	-54.71
NC1=[NH+]C2=C(C=C1C(=O)N1CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]31)CCC2	REAL300030620761	1	49	0.0	-63.15	386.53	2.86	-60.29
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030620834	0	52	0.0	-67.90	394.37	3.83	-64.07
CC(C)(C)[N@H+]1CCC1C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030620834	1	52	0.0	-68.38	373.05	2.98	-65.40
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1CCN(C2=CC=[NH+]C=C2)C1)C1=CC(=O)[N-]O1	REAL300030620852	0	52	0.0	-74.52	405.68	2.60	-71.92
C[C@@H](C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[NH+](C)C	REAL300030620857	0	45	0.0	-69.03	349.89	2.50	-66.53
C[NH+](C)CC1=CC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=CC=N1	REAL300030620878	1	51	0.0	-72.37	400.79	3.30	-69.07
C=CCC(C)(C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[NH+](C)C	REAL300030620884	0	52	0.0	-52.86	370.33	4.28	-48.58
CC[NH+](CC)CCSCC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030620918	0	55	0.0	-74.64	435.41	5.48	-69.16
NC1=C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C=[NH+]C2=CC=CC=C21	REAL300030620919	1	48	0.0	-65.07	383.97	2.31	-62.76
O=C(CC[NH+]1CCCC1)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030620924	0	49	0.0	-72.36	380.09	3.81	-68.55
C[N@H+](CCO)CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030620933	1	46	0.0	-71.30	360.89	-0.43	-71.73
C[N@@H+](CCO)CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030620933	1	46	0.0	-71.47	360.72	-0.45	-71.92
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1C[N@@H+]2CCN1CCC2)C1=CC(=O)[N-]O1	REAL300030620971	0	52	0.0	-78.81	375.22	1.55	-77.26
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1C[N@H+]2CCN1CCC2)C1=CC(=O)[N-]O1	REAL300030620971	1	52	0.0	-75.73	379.33	1.32	-74.41
CC(C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[NH+]1CCSCC1	REAL300030621001	1	50	0.0	-71.20	390.44	4.05	-67.15
C[N@H+]1CC=C(CC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300030621047	0	50	0.0	-70.61	392.20	4.47	-66.14
C[N@@H+]1CC=C(CC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300030621047	1	50	0.0	-68.93	392.13	4.50	-64.43
C[S+](C)CCC(O)C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030621064	0	48	0.0	-77.44	392.94	1.56	-75.88
CN1CC[N@H+](C)CC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030621106	0	54	0.0	-68.57	405.70	2.12	-66.45
CN1CC[N@@H+](C)CC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030621106	1	54	0.0	-70.65	403.98	1.68	-68.97
CC(C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[N@@H+]1CCCC(O)C1	REAL300030621107	0	53	0.0	-70.05	399.52	1.12	-68.93
CC(C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[N@H+]1CCCC(O)C1	REAL300030621107	1	53	0.0	-68.15	401.40	0.93	-67.22
C[N@@H+]1CCCC(O)(CC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030621148	0	53	0.0	-70.60	400.29	2.58	-68.02
C[N@H+]1CCCC(O)(CC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030621148	1	53	0.0	-67.69	403.26	2.53	-65.16
CC1C[NH+](CC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030621154	1	46	0.0	-71.03	364.15	3.22	-67.81
CC[N@@H+]1CCCC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030621160	0	52	0.0	-63.43	382.05	4.24	-59.19
CC[N@H+]1CCCC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030621160	1	52	0.0	-70.29	394.79	4.27	-66.02
NC1=[NH+]C=CC=C1CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030621173	0	45	0.0	-67.84	367.06	1.95	-65.89
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1CCC[N@@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300030621186	0	50	0.0	-68.18	383.90	4.04	-64.14
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1CCC[N@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300030621186	1	50	0.0	-65.94	381.10	4.31	-61.63
O=C(C=CC[NH+]1CCCC1)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030621240	0	50	0.0	-74.43	394.55	4.51	-69.92
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1CC[NH+](C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300030621268	0	53	0.0	-72.41	406.47	5.07	-67.34
CC[N@H+](C)CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030621314	0	45	0.0	-70.57	350.58	2.79	-67.78
O=C(CN1CC2C=CC1C2)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030621383	0	48	0.0	-68.81	372.24	4.11	-64.70
O=C(C[N@@H+]1CC2C=CC1C2)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030621383	1	48	0.0	-68.94	372.17	4.09	-64.85
O=C(C[N@H+]1CC2C=CC1C2)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030621383	1	48	0.0	-68.94	372.17	4.09	-64.85
CC1=CC=C(NCCC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)N=C1	REAL300030621406	0	51	0.0	-67.46	411.65	3.55	-63.91
CC1=CC=C(NCCC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)[NH+]=C1	REAL300030621406	1	51	0.0	-67.46	411.65	3.55	-63.91
CC(OCC[NH+](C)C)C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030621550	0	52	0.0	-60.95	398.80	4.47	-56.48
C[NH+](C)CCOCCC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030621563	0	52	0.0	-71.11	409.73	2.96	-68.15
COCCN(C)CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030621565	0	49	0.0	-71.37	382.97	1.95	-69.42
COCC[N@H+](C)CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030621565	1	49	0.0	-71.53	383.14	1.97	-69.56
COCC[N@@H+](C)CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030621565	1	49	0.0	-71.53	383.14	1.97	-69.56
CC(CCC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[NH+](C)C	REAL300030621572	0	51	0.0	-74.95	386.45	3.89	-71.06
CC[N@H+](CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21)C1CC1	REAL300030621611	0	49	0.0	-68.02	379.16	4.11	-63.91
CC1C[N@@H+]2CCN1C(C(=O)N1CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]31)C2	REAL300030621622	0	52	0.0	-79.36	381.59	0.83	-78.53
CC1=NC(N)=CC=C1C=CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030621666	0	49	0.0	-70.89	396.99	2.78	-68.11
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030621666	1	49	0.0	-70.89	396.99	2.78	-68.11
O=C(C[N@@H+]1CC2CCC1C2)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030621674	0	50	0.0	-55.22	371.99	4.97	-50.25
O=C(C[N@H+]1CC2CCC1C2)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030621674	1	50	0.0	-55.22	371.99	4.97	-50.25
CC(C)[NH+]1CCC(CC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300030621690	0	58	0.0	-67.61	430.33	5.70	-61.91
CC(C[NH+](C)C)C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030621704	0	48	0.0	-72.96	370.48	3.23	-69.73
CC[N@@H+]1CCC1C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030621759	0	46	0.0	-54.77	348.63	3.36	-51.41
CC(C)[N@@H+]1CCCC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030621774	0	55	0.0	-69.34	410.60	4.78	-64.56
CC(C)[N@H+]1CCCC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030621774	1	55	0.0	-69.34	410.60	4.78	-64.56
CCC(C)(C)[NH2+]C(C)C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030621795	0	54	0.0	-69.56	396.65	2.73	-66.83
C#CC[N@H+]1CCCCC1C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030621847	1	51	0.0	-54.85	392.23	5.58	-49.27
C#CC[N@@H+]1CCCCC1C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030621847	1	51	0.0	-70.56	390.49	4.57	-65.99
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030621850	1	48	0.0	-64.80	382.49	2.72	-62.08
NC1=CC=[NH+]C=C1C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030621851	0	42	0.0	-52.10	334.08	0.74	-51.36
C[NH+](C)C(CC1=CC=CC=C1)C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030621857	0	55	0.0	-57.86	412.29	6.86	-51.00
CCCC(C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[NH+](C)C	REAL300030621864	0	51	0.0	-55.75	376.27	4.73	-51.02
CC(CC[NH+](C)C)C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030621893	0	51	0.0	-61.27	381.97	4.42	-56.85
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1=CC(=O)[N-]O1	REAL300030621952	0	56	0.0	-71.01	396.26	4.50	-66.51
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1=CC(=O)[N-]O1	REAL300030621952	1	56	0.0	-63.12	404.80	5.39	-57.73
COCCCC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030622031	0	58	0.0	-77.22	449.58	3.99	-73.23
COCCCC[N@@H+](C)CCC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030622031	1	58	0.0	-77.38	449.58	3.97	-73.41
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030622041	0	52	0.0	-70.06	391.14	3.77	-66.29
C[N@H+]1CC(C)(C)CC1C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030622041	1	52	0.0	-67.89	391.32	3.78	-64.11
C[NH+](C)CCCCCC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030622047	0	54	0.0	-62.78	413.26	5.80	-56.98
O=C(CC[NH+]1CCC(O)CC1)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030622053	0	53	0.0	-76.13	407.63	1.21	-74.92
CCC[N@@H+]1CCCCC1C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030622058	0	55	0.0	-70.33	404.43	4.77	-65.56
CCC[N@H+]1CCCCC1C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030622058	1	55	0.0	-52.76	398.61	5.50	-47.26
CC[NH+]1CCN(CCC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300030622068	0	57	0.0	-73.02	431.10	2.79	-70.23
CCN1CC[NH+](CCC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300030622068	1	57	0.0	-59.33	425.12	3.52	-55.81
C[NH+]1CCN(CC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300030622072	1	51	0.0	-71.31	392.35	1.65	-69.66
CC(C)C[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300030622200	0	58	0.0	-60.27	427.13	6.66	-53.61
CC1C[N@H+](C)CC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)O1	REAL300030622203	1	50	0.0	-81.79	386.37	3.14	-78.65
CC1C[N@@H+](C)CC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)O1	REAL300030622203	1	50	0.0	-76.52	377.68	3.02	-73.50
CCC1CCC[N@H+](CC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030622241	0	55	0.0	-71.10	406.78	5.21	-65.89
CCC1CCC[N@@H+](CC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030622241	1	55	0.0	-57.68	408.78	6.16	-51.52
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)N1	REAL300030622251	0	50	0.0	-92.44	387.75	4.46	-87.98
O=C(C[NH+]1CC2CC2C1)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030622273	0	47	0.0	-70.85	367.82	3.97	-66.88
O=C(CC1([NH+]2CCCC2)CC1)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030622293	0	53	0.0	-68.20	398.19	4.89	-63.31
CC([NH2+]C1(CO)CCCC1)C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030622312	0	56	0.0	-69.78	413.63	0.05	-69.73
C[N@@H+]1CCCCC1C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030622343	0	49	0.0	-66.80	373.37	3.65	-63.15
C[N@H+]1CCCCC1C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030622343	1	49	0.0	-54.29	360.76	4.28	-50.01
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1CC[N@@H+]1CC1=CC=CC=C1)C1=CC(=O)[N-]O1	REAL300030622349	1	53	0.0	-74.14	424.13	6.11	-68.03
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1CC[N@H+]1CC1=CC=CC=C1)C1=CC(=O)[N-]O1	REAL300030622349	1	53	0.0	-56.77	406.82	6.28	-50.49
CC(C)C[N@@H+]1CCCC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030622356	0	58	0.0	-70.45	429.87	5.61	-64.84
CC(C)C[N@H+]1CCCC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030622356	1	58	0.0	-71.35	432.77	5.72	-65.63
C[NH+](C)C1CCN(CC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300030622414	0	57	0.0	-71.39	426.31	2.84	-68.55
C[N@@H+]1CCC(=CC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030622480	0	47	0.0	-74.81	370.88	3.65	-71.16
C[N@H+]1CCC(=CC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030622480	1	47	0.0	-75.24	370.16	3.67	-71.57
O=C(CNC1=CC=[NH+]C=C1)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030622488	0	45	0.0	-57.47	362.13	2.10	-55.37
CC[NH+]1CCN(CC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300030622551	0	54	0.0	-70.69	410.09	2.32	-68.37
O=C(C=C1C[NH+]2CCC1CC2)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030622552	0	51	0.0	-61.73	381.65	5.21	-56.52
C[N@H+](CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[C@@H]1CCC[C@H]1O	REAL300030622613	0	53	0.0	-66.23	403.74	1.53	-64.70
C[N@@H+](CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[C@@H]1CCC[C@H]1O	REAL300030622613	1	53	0.0	-68.84	403.64	1.52	-67.32
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1C[NH+](C2CCOCC2)C1)C1=CC(=O)[N-]O1	REAL300030622622	0	54	0.0	-76.06	416.09	3.04	-73.02
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030622638	0	46	0.0	-67.13	354.18	2.88	-64.25
C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030622638	1	46	0.0	-68.78	351.38	2.60	-66.18
CCN1CCOCC1CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030622676	0	53	0.0	-75.11	400.93	2.64	-72.47
CC[N@@H+]1CCOCC1CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030622676	1	53	0.0	-74.67	400.63	2.65	-72.02
CC[N@H+]1CCOCC1CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030622676	1	53	0.0	-74.67	400.63	2.65	-72.02
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)NC2=C1CCC[NH2+]2)C1=CC(=O)[N-]O1	REAL300030622683	0	50	0.0	-90.96	400.65	1.57	-89.39
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1C[NH+](C2CCCCC2)C1)C1=CC(=O)[N-]O1	REAL300030622703	0	56	0.0	-75.18	425.29	5.49	-69.69
NC1=NC2=CC(C(=O)N3CC[C@@H]4[C@H](NC(=O)C5=CC(=O)[N-]O5)C[C@@H]43)=CC=C2N1	REAL300030622781	0	46	0.0	-73.88	370.89	2.85	-71.03
NC1=[NH+]C2=CC(C(=O)N3CC[C@@H]4[C@H](NC(=O)C5=CC(=O)[N-]O5)C[C@@H]43)=CC=C2N1	REAL300030622781	1	46	0.0	-73.88	370.89	2.85	-71.03
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030622828	0	49	0.0	-71.16	382.35	3.87	-67.29
CC1CCCC(C)[NH+]1CCC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030622840	0	58	0.0	-68.36	426.79	5.29	-63.07
C[NH+](C)C1CCC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300030622843	0	55	0.0	-55.75	395.94	5.48	-50.27
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300030622847	0	55	0.0	-65.20	400.23	4.57	-60.63
C[N@@H+]1CC=CCC1CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030622848	0	50	0.0	-63.98	379.26	4.13	-59.85
C[N@H+]1CC=CCC1CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030622848	1	50	0.0	-74.19	383.95	4.23	-69.96
CC1=CC(C=CC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=C[NH+]=C1N	REAL300030622912	1	49	0.0	-73.91	397.19	3.08	-70.83
C[NH+](C)CCOCC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030622928	0	49	0.0	-61.97	383.50	4.17	-57.80
CCCCC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030622935	0	57	0.0	-74.42	437.40	5.70	-68.72
CCCCC[N@@H+](C)CCC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030622935	1	57	0.0	-74.46	437.50	5.70	-68.76
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)O1	REAL300030622948	0	53	0.0	-72.84	408.30	3.95	-68.89
[NH2+]=C1SC=CN1CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030622974	0	42	0.0	-67.46	359.95	2.32	-65.14
C[C@@H](OCC[NH+](C)C)C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030623057	0	52	0.0	-61.27	397.26	4.39	-56.88
O=C(CC[NH+]1CCCCCC1)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030623122	0	55	0.0	-73.93	406.81	4.78	-69.15
C[N@@H+]1CCCC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030623129	0	49	0.0	-72.46	376.69	3.61	-68.85
C[N@H+]1CCCC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030623129	1	49	0.0	-72.46	376.69	3.61	-68.85
O=C(C[NH+]1CCCCCC1)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030623137	0	52	0.0	-56.50	379.39	5.15	-51.35
CN1C=C[N+](CC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=C1	REAL300030623144	0	44	0.0	-69.13	364.24	5.61	-63.52
CN(C)CC1=CC=C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)O1	REAL300030623164	0	49	0.0	-61.25	388.60	4.79	-56.46
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)O1	REAL300030623164	1	49	0.0	-61.25	388.60	4.79	-56.46
C[N@H+](CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21)C1CC1	REAL300030623194	0	46	0.0	-67.77	362.08	3.54	-64.23
CC(C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21)N1CCN(C)CC1	REAL300030623196	0	54	0.0	-71.37	401.09	1.73	-69.64
CC(C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21)N1CC[NH+](C)CC1	REAL300030623196	1	54	0.0	-71.37	401.09	1.73	-69.64
O=C(CC[N@H+]1CCC(F)C1)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030623202	0	49	0.0	-77.25	387.65	3.96	-73.29
C[NH+](C)CCC1=CC=CC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=C1	REAL300030623233	0	55	0.0	-69.64	424.07	6.77	-62.87
CC(CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21)C[NH+](C)C	REAL300030623239	0	51	0.0	-75.40	389.89	4.16	-71.24
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1CC[N@@H+]2CCOCC12)C1=CC(=O)[N-]O1	REAL300030623260	0	51	0.0	-75.01	387.66	2.24	-72.77
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1CC[N@H+]2CCOCC12)C1=CC(=O)[N-]O1	REAL300030623260	1	51	0.0	-75.01	387.66	2.24	-72.77
CN1CCOCC1CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030623291	0	50	0.0	-66.40	376.11	1.83	-64.57
C[N@@H+]1CCOCC1CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030623291	1	50	0.0	-68.37	375.90	1.83	-66.54
C[N@H+]1CCOCC1CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030623291	1	50	0.0	-68.37	375.90	1.83	-66.54
C[NH+](C)CC(C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21)C1=CC=CC=C1	REAL300030623299	0	55	0.0	-77.96	424.72	5.94	-72.02
CC1=CC(N)=NC=C1C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030623362	0	45	0.0	-73.26	362.18	1.37	-71.89
CC1=CC(N)=[NH+]C=C1C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030623362	1	45	0.0	-73.26	362.18	1.37	-71.89
CC1(O)CC[N@H+](CC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030623421	0	50	0.0	-58.28	382.66	1.25	-57.03
C[NH+](C)CCN1N=CC=C1C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030623431	0	52	0.0	-63.24	400.80	3.98	-59.26
C[NH+]1CC(CC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030623465	0	46	0.0	-71.87	364.22	2.98	-68.89
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1CC[N@@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300030623471	0	53	0.0	-69.05	396.78	4.53	-64.52
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1CC[N@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300030623471	1	53	0.0	-69.05	396.78	4.53	-64.52
C[N@H+](CCO)CCC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030623524	0	49	0.0	-71.90	383.31	0.18	-71.72
C[N@@H+](CCO)CCC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030623524	1	49	0.0	-71.90	383.31	0.18	-71.72
C[N@@H+]1CCCCC1CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030623547	0	52	0.0	-73.53	392.35	4.34	-69.19
C[N@H+]1CCCCC1CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030623547	1	52	0.0	-73.53	392.35	4.34	-69.19
CC1=C2C=C(C(=O)N3CC[C@@H]4[C@H](NC(=O)C5=CC(=O)[N-]O5)C[C@@H]43)C=CN2C=N1	REAL300030623574	0	47	0.0	-73.36	389.53	6.09	-67.27
CC1=C2C=C(C(=O)N3CC[C@@H]4[C@H](NC(=O)C5=CC(=O)[N-]O5)C[C@@H]43)C=CN2C=[NH+]1	REAL300030623574	1	47	0.0	-73.36	389.53	6.09	-67.27
CC1CC[N@@H+]1CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030623580	0	46	0.0	-68.66	358.96	2.95	-65.71
C[NH+](C)CC=CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030623596	0	46	0.0	-75.51	369.25	3.34	-72.17
CC1(C)CN(CC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030623611	0	49	0.0	-71.04	383.67	3.73	-67.31
CC1(C)C[NH+](CC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C1	REAL300030623611	1	49	0.0	-71.04	383.67	3.73	-67.31
O=C(CCCC[NH+]1CCCCC1)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030623625	0	58	0.0	-60.38	433.40	6.88	-53.50
CC1=C(C)NC(CCC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=N1	REAL300030623638	0	50	0.0	-53.64	396.65	4.15	-49.49
CC1=C(C)[NH+]=C(CCC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)N1	REAL300030623638	1	50	0.0	-53.64	396.65	4.15	-49.49
C[NH+]1CCC(C2(C(=O)N3CC[C@@H]4[C@H](NC(=O)C5=CC(=O)[N-]O5)C[C@@H]43)CC2)CC1	REAL300030623649	0	56	0.0	-74.69	416.73	5.23	-69.46
CC1=C2C=C(C(=O)N3CC[C@@H]4[C@H](NC(=O)C5=CC(=O)[N-]O5)C[C@@H]43)C=CN2C=N1	REAL300030623658	0	47	0.0	-73.36	389.53	6.09	-67.27
CC1=C2C=C(C(=O)N3CC[C@@H]4[C@H](NC(=O)C5=CC(=O)[N-]O5)C[C@@H]43)C=CN2C=[NH+]1	REAL300030623658	1	47	0.0	-73.36	389.53	6.09	-67.27
C[NH+](C)CCSCC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030623669	0	49	0.0	-64.40	394.70	5.02	-59.38
CC(C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[N@H+](C)CC1=CC=CC=C1	REAL300030623688	0	55	0.0	-72.10	425.42	6.01	-66.09
NC1=NC2=C(C=C1C(=O)N1CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]31)CCCC2	REAL300030623692	0	52	0.0	-62.98	403.61	3.40	-59.58
NC1=[NH+]C2=C(C=C1C(=O)N1CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]31)CCCC2	REAL300030623692	1	52	0.0	-62.98	403.61	3.40	-59.58
O=C(C[N@H+]1CCCC1CO)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030623700	0	50	0.0	-55.82	379.47	1.39	-54.43
CC[NH+](CC)CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030623703	0	48	0.0	-69.04	364.48	3.21	-65.83
C[N@H+](CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21)C1CCSC1	REAL300030623716	0	50	0.0	-62.75	387.07	5.30	-57.45
O=C(CN1CCC1)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030623718	0	43	0.0	-71.15	343.19	2.61	-68.54
O=C(C[NH+]1CCC1)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030623718	1	43	0.0	-71.15	343.19	2.61	-68.54
CC[NH+](CC)CCC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030623766	0	51	0.0	-58.19	380.12	4.49	-53.70
CC(C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[NH+]1CCC(O)CC1	REAL300030623856	0	53	0.0	-72.17	401.42	0.93	-71.24
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1CC2COCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300030623862	0	51	0.0	-70.34	386.88	2.29	-68.05
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1CC2COCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300030623862	1	51	0.0	-73.40	387.22	2.30	-71.10
CC(C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[NH+]1CCC1	REAL300030623880	0	46	0.0	-68.70	360.90	2.98	-65.72
CCC(CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21)C[NH+](C)C	REAL300030623891	0	54	0.0	-73.28	403.94	4.64	-68.64
NC1=CC=C(C=CC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C=[NH+]1	REAL300030623898	0	46	0.0	-73.48	379.46	2.34	-71.14
C[NH+](C)C(CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21)C1=CC=CC=C1	REAL300030623935	0	55	0.0	-76.12	422.98	6.16	-69.96
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030623966	0	49	0.0	-57.05	355.07	3.92	-53.13
C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030623966	1	49	0.0	-57.02	367.07	4.39	-52.63
CC1CN2CC[N@@H+]1CC2C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030623980	0	52	0.0	-51.86	375.13	1.46	-50.40
CC1CN2CC[N@H+]1CC2C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030623980	1	52	0.0	-74.59	381.51	0.76	-73.83
C[NH+](C)CC(O)CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030624008	0	49	0.0	-76.52	385.47	1.20	-75.32
C[NH+]1C2CCC1CC(C(=O)N1CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]31)C2	REAL300030624011	0	53	0.0	-60.42	385.35	4.92	-55.50
C=CCC(C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21)[NH+](C)C	REAL300030624060	0	49	0.0	-57.41	371.80	4.60	-52.81
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1CC2CCCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300030624072	0	53	0.0	-73.26	396.04	4.68	-68.58
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1CC2CCCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300030624072	1	53	0.0	-74.59	396.61	4.60	-69.99
C[NH+]1CCC(O)(CC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)CC1	REAL300030624090	0	53	0.0	-73.88	403.47	2.47	-71.41
COCC[N@@H+]1CCCC1CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030624105	0	56	0.0	-71.45	421.64	3.49	-67.96
COCC[N@H+]1CCCC1CC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030624105	1	56	0.0	-57.27	424.95	4.30	-52.97
C[NH+]1C2CCC1CC(CC(=O)N1CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]31)C2	REAL300030624114	0	56	0.0	-69.33	411.75	5.10	-64.23
C[NH+](C)CCN1N=CC=C1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030624156	0	52	0.0	-52.15	383.09	3.63	-48.52
C[NH+]1CCC(C2(C(=O)N[C@@H]3C[C@H]4[C@@H]3CCN4C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030624205	0	56	0.0	-68.78	417.97	5.73	-63.05
CC1=C2C=C(C(=O)N[C@@H]3C[C@H]4[C@@H]3CCN4C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030624217	1	47	0.0	-76.78	382.32	6.05	-70.73
C[NH+](C)CCSCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030624229	0	49	0.0	-79.09	396.91	3.92	-75.17
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1CC2COCC[N@@H+]2C1	REAL300030624241	0	51	0.0	-74.36	388.34	2.35	-72.01
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1CC2COCC[N@H+]2C1	REAL300030624241	1	51	0.0	-76.23	388.62	2.33	-73.90
C[N@@H+]1CCCC1C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030624388	0	43	0.0	-74.44	336.46	1.91	-72.53
C[N@H+]1CCCC1C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030624388	1	43	0.0	-71.03	336.30	1.89	-69.14
C[N@@H+]1CCOC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030624412	1	44	0.0	-91.06	356.19	1.91	-89.15
C[N@H+]1CCOC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030624412	1	44	0.0	-83.62	353.65	1.80	-81.82
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030624608	1	50	0.0	-68.55	401.97	4.53	-64.02
CC(C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)[NH+]1CCCCCC1	REAL300030624612	0	52	0.0	-70.11	387.50	3.93	-66.18
CC(C)[N@@H+]1CCCC1C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030624646	0	49	0.0	-72.75	369.09	3.60	-69.15
CC(C)[N@H+]1CCCC1C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030624646	1	49	0.0	-72.14	370.91	3.66	-68.48
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1CC2CCCC[N@@H+]2C1	REAL300030624671	0	50	0.0	-74.37	386.60	4.14	-70.23
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1CC2CCCC[N@H+]2C1	REAL300030624671	1	50	0.0	-80.66	385.98	4.18	-76.48
CC(C)C1=[NH+]C=CN1CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030624701	1	47	0.0	-69.01	382.14	4.09	-64.92
CC1=[NH+]C=CN1CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030624752	1	41	0.0	-70.79	344.79	2.93	-67.86
CC(C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030624754	0	50	0.0	-76.10	387.71	2.08	-74.02
O=C(CCC[NH+]1CCCCC1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030624772	0	52	0.0	-74.88	402.00	4.61	-70.27
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1CC[N@@H+](C2CCCCC2)C1	REAL300030624811	0	56	0.0	-78.18	424.03	5.32	-72.86
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1CC[N@H+](C2CCCCC2)C1	REAL300030624811	1	56	0.0	-77.66	423.87	5.35	-72.31
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1C[NH+]2CCC1CC2	REAL300030624828	0	47	0.0	-82.03	357.72	3.16	-78.87
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1CCCC2CCC[N@@H+]21	REAL300030624889	0	50	0.0	-71.20	375.13	4.05	-67.15
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1CCCC2CCC[N@H+]21	REAL300030624889	1	50	0.0	-67.42	382.97	4.33	-63.09
C[NH+](C)CCN1C=C(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C=N1	REAL300030624891	0	49	0.0	-81.96	400.58	2.84	-79.12
C[NH+](C)CCN1C=CC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)=N1	REAL300030624905	0	49	0.0	-86.72	401.18	2.89	-83.83
C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)CC[N@@H+]1C	REAL300030624912	0	46	0.0	-79.29	355.18	2.46	-76.83
C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)CC[N@H+]1C	REAL300030624912	1	46	0.0	-73.46	358.34	2.84	-70.62
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030624915	1	50	0.0	-70.76	404.47	4.69	-66.07
CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)CC[N@@H+]1C	REAL300030624918	0	49	0.0	-74.32	373.67	3.03	-71.29
CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)CC[N@H+]1C	REAL300030624918	1	49	0.0	-75.88	380.41	3.52	-72.36
CC[N@@H+]1CCOC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030624944	1	47	0.0	-84.81	371.43	2.43	-82.38
CC[N@H+]1CCOC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030624944	1	47	0.0	-86.26	373.92	2.56	-83.70
CC[NH+](CC)CC(F)C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030625004	0	48	0.0	-80.25	375.84	3.13	-77.12
CC1CCC(C)[NH+]1CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030625107	0	49	0.0	-73.23	366.17	3.10	-70.13
O=C(CCC[NH+]1CCCC1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030625117	0	49	0.0	-74.61	386.33	3.91	-70.70
C[NH+](C)CC1=CC=CC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)=C1	REAL300030625118	0	49	0.0	-79.89	396.63	4.95	-74.94
C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)CC1	REAL300030625126	0	48	0.0	-79.53	386.08	4.21	-75.32
O=C(CC[NH+]1CCCCC1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030625127	0	49	0.0	-74.77	380.50	3.80	-70.97
CC(C)C[N@@H+]1CCC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030625164	0	52	0.0	-73.26	401.12	4.33	-68.93
CC(C)C[N@H+]1CCC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030625164	1	52	0.0	-74.80	401.01	4.26	-70.54
CC(C)[N@@H+]1CCCC1CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030625176	0	52	0.0	-67.71	385.59	3.88	-63.83
CC(C)[N@H+]1CCCC1CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030625176	1	52	0.0	-72.17	395.63	3.98	-68.19
C[N@H+](CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1CCC1	REAL300030625263	0	46	0.0	-71.80	362.73	3.35	-68.45
C[N@@H+](CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1CCC1	REAL300030625263	1	46	0.0	-71.74	362.64	3.35	-68.39
CC(C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)[NH+]1C(C)CCC1C	REAL300030625348	0	52	0.0	-66.87	386.60	3.54	-63.33
CN(CCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1=CC=[NH+]C=C1	REAL300030625421	0	48	0.0	-70.12	390.99	3.02	-67.10
C[N@@H+]1CCCC1CCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030625443	0	49	0.0	-76.07	383.78	3.86	-72.21
C[N@H+]1CCCC1CCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030625443	1	49	0.0	-73.26	384.62	3.71	-69.55
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1CCC2CCCC[N@@H+]21	REAL300030625460	0	50	0.0	-70.85	379.45	3.95	-66.90
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1CCC2CCCC[N@H+]21	REAL300030625460	1	50	0.0	-68.10	383.92	4.23	-63.87
CC[NH+](CC)CC1=CC=C(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)O1	REAL300030625485	0	52	0.0	-83.93	414.73	4.34	-79.59
O=C(CCCC[NH+]1CCCC1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030625490	0	52	0.0	-77.70	409.41	4.80	-72.90
C[N@H+](CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)CC1=CC=CC=C1	REAL300030625493	1	49	0.0	-79.54	395.19	5.07	-74.47
C[N@@H+](CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)CC1=CC=CC=C1	REAL300030625493	1	49	0.0	-79.33	395.21	5.07	-74.26
C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)CC1	REAL300030625509	0	46	0.0	-79.33	361.07	3.04	-76.29
C[NH+](C)CC1=CC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)=NO1	REAL300030625560	1	45	0.0	-81.59	375.52	2.37	-79.22
CC1=C(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C=CC2=C[NH+]=CN21	REAL300030625562	0	44	0.0	-76.24	363.19	5.34	-70.90
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1=CN2C=[NH+]C=C2C=C1	REAL300030625793	0	41	0.0	-74.82	346.43	4.85	-69.97
CC1=[NH+]C=CN1CCCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030625809	1	47	0.0	-72.08	387.51	4.27	-67.81
O=C(CCCC[NH+]1CCOCC1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030625813	1	53	0.0	-78.24	414.68	2.93	-75.31
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C=C1	REAL300030625817	0	49	0.0	-88.12	396.81	4.96	-83.16
O=C(CC[NH+]1CCOCC1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030625818	1	47	0.0	-77.96	371.78	1.37	-76.59
CCC[NH+](CCC)CCCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030625840	0	57	0.0	-77.48	436.84	5.40	-72.08
CC1=C[NH+]=CN1CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030625864	1	41	0.0	-72.07	345.10	3.66	-68.41
O=C(CN1C=[NH+]C2=C1CCCC2)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030625877	1	48	0.0	-70.99	387.88	5.42	-65.57
C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)CCCCC1	REAL300030625911	0	55	0.0	-82.49	401.09	5.00	-77.49
C[N@H+](CCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1CCCCC1	REAL300030625915	0	55	0.0	-77.99	417.06	5.06	-72.93
C[N@@H+](CCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1CCCCC1	REAL300030625915	1	55	0.0	-78.38	416.91	5.07	-73.31
C[NH+](C)C1CCCC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030625961	0	52	0.0	-74.00	395.20	4.20	-69.80
C[N@@H+]1CCC(CC(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030625968	0	46	0.0	-76.16	362.95	2.97	-73.19
C[N@H+]1CCC(CC(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030625968	1	46	0.0	-77.96	365.20	3.10	-74.86
CCC(C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)[NH+](C)C	REAL300030625985	0	45	0.0	-73.13	349.20	2.48	-70.65
C[NH+](C)C1(CC(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)CCCC1	REAL300030626006	0	52	0.0	-80.15	382.68	3.93	-76.22
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1=CC2=C[NH+]=CN2C=C1	REAL300030626072	1	41	0.0	-79.75	346.70	4.86	-74.89
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300030626114	1	44	0.0	-89.13	378.22	2.93	-86.20
C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030626143	0	48	0.0	-76.55	381.77	3.49	-73.06
CCC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030626164	0	48	0.0	-77.82	380.12	3.44	-74.38
CCC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030626164	1	48	0.0	-76.17	378.07	3.31	-72.86
CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030626169	0	45	0.0	-73.98	355.74	2.78	-71.20
CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030626169	1	45	0.0	-74.73	357.90	2.91	-71.82
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C12CC[N@H+](C1)CCC2	REAL300030626194	0	47	0.0	-75.59	358.05	2.56	-73.03
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C12CC[N@@H+](C1)CCC2	REAL300030626194	1	47	0.0	-76.75	360.17	2.69	-74.06
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030626255	0	43	0.0	-75.92	338.50	2.02	-73.90
C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030626255	1	43	0.0	-70.91	341.42	2.40	-68.51
CC1CC2CCC(C(=O)N[C@@H]3[C@H]4CCN(C(=O)C5=CC(=O)[N-]O5)[C@H]43)C[N@@H+]2C1	REAL300030626283	0	53	0.0	-67.28	398.37	4.90	-62.38
CC1CC2CCC(C(=O)N[C@@H]3[C@H]4CCN(C(=O)C5=CC(=O)[N-]O5)[C@H]43)C[N@H+]2C1	REAL300030626283	1	53	0.0	-73.62	406.64	4.82	-68.80
CCCCCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030626332	0	54	0.0	-75.93	422.23	5.23	-70.70
CCCCCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030626332	1	54	0.0	-75.95	422.23	5.24	-70.71
CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030626353	0	45	0.0	-73.37	354.54	2.83	-70.54
CCC[N@@H+]1CCCC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030626379	0	52	0.0	-75.57	402.27	4.51	-71.06
CCC[N@H+]1CCCC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030626379	1	52	0.0	-73.02	400.01	4.37	-68.65
CC(C)[N@@H+]1CCOC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030626396	1	50	0.0	-86.70	390.72	3.07	-83.63
CC(C)[N@H+]1CCOC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030626396	1	50	0.0	-77.42	381.16	2.79	-74.63
CC1CC[NH+](CC(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)CC1	REAL300030626436	0	49	0.0	-74.37	378.84	3.82	-70.55
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300030626464	1	44	0.0	-80.71	375.56	2.78	-77.93
C[NH+]1CCC(OCC(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)CC1	REAL300030626472	0	50	0.0	-80.90	396.43	3.47	-77.43
C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)CC1	REAL300030626490	0	46	0.0	-77.56	370.71	3.15	-74.41
CC1=[NH+]C=C2CCC(C(=O)N[C@@H]3[C@H]4CCN(C(=O)C5=CC(=O)[N-]O5)[C@H]43)CN21	REAL300030626491	1	48	0.0	-68.62	383.92	4.08	-64.54
CC(C)[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)CC1	REAL300030626584	0	52	0.0	-76.65	395.23	4.20	-72.45
C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)CC1	REAL300030626611	0	46	0.0	-79.33	361.07	3.04	-76.29
CCC(C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)[NH+](CC)CC	REAL300030626649	0	51	0.0	-67.97	383.73	3.87	-64.10
CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030626745	0	45	0.0	-77.11	358.60	2.69	-74.42
CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030626745	1	45	0.0	-77.77	358.85	2.70	-75.07
CC1CCC[N@@H+]1CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030626816	0	46	0.0	-70.97	357.19	2.84	-68.13
CC1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030626816	1	46	0.0	-71.94	363.47	3.15	-68.79
CC1CC[N@H+](CC(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030626819	0	46	0.0	-74.81	364.19	3.21	-71.60
CC1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030626819	1	46	0.0	-74.17	363.82	3.23	-70.94
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030626820	0	52	0.0	-72.55	400.29	3.77	-68.78
CC(C)(C)[N@H+]1CCC(F)(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030626820	1	52	0.0	-67.58	400.28	3.79	-63.79
CC1=[NH+]C=C2CC(C(=O)N[C@@H]3[C@H]4CCN(C(=O)C5=CC(=O)[N-]O5)[C@H]43)CCN21	REAL300030626821	1	48	0.0	-76.11	387.75	4.23	-71.88
C[NH+](C)CCC1=CC=C(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C=C1	REAL300030626823	0	52	0.0	-89.03	419.31	5.81	-83.22
CC1(C)CC[N@H+](CC(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030626825	0	49	0.0	-72.98	381.32	3.60	-69.38
CC1(C)CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030626825	1	49	0.0	-73.28	381.85	3.60	-69.68
C[N@H+](CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)CC(C)(C)C	REAL300030626826	0	51	0.0	-74.78	388.30	3.98	-70.80
C[N@@H+](CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)CC(C)(C)C	REAL300030626826	1	51	0.0	-73.33	386.65	3.95	-69.38
C[N@H+](CCC1=CC=CC=C1)CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030626827	0	52	0.0	-78.08	417.64	5.92	-72.16
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030626827	1	52	0.0	-78.13	417.64	5.91	-72.22
CC[C@@H](C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)[NH+](C)C	REAL300030626836	0	45	0.0	-70.42	350.55	2.95	-67.47
CC(COCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)[NH+]1CCCC1	REAL300030626843	0	53	0.0	-75.12	417.06	4.23	-70.89
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1CC[NH+](CC2CC2)CC1	REAL300030626943	0	53	0.0	-81.91	412.42	5.36	-76.55
C[NH+]1CCC(O)(CC(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)CC1	REAL300030627082	0	50	0.0	-73.11	383.97	1.70	-71.41
COCC[N@@H+]1CCCC1CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030627090	0	53	0.0	-76.00	407.51	2.82	-73.18
COCC[N@H+]1CCCC1CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030627090	1	53	0.0	-74.63	408.09	2.40	-72.23
O=C(C[NH+]1CCC(CO)CC1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030627101	1	50	0.0	-77.63	389.68	0.51	-77.12
O=C(C[NH+]1CCCCCC1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030627105	0	49	0.0	-73.60	367.60	3.42	-70.18
CN1C=C[N+](CC(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)=C1	REAL300030627110	0	41	0.0	-73.26	349.75	4.99	-68.27
C[N@@H+]1CCCC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030627122	0	46	0.0	-74.86	360.84	2.96	-71.90
C[N@H+]1CCCC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030627122	1	46	0.0	-75.94	363.28	3.13	-72.81
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1CCC[N@@H+]1C1CC1	REAL300030627126	0	47	0.0	-70.35	376.01	3.98	-66.37
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1CCC[N@H+]1C1CC1	REAL300030627126	1	47	0.0	-75.59	369.18	3.33	-72.26
CC(C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)[NH+]1CCC1	REAL300030627159	1	43	0.0	-71.70	346.69	2.56	-69.14
CCC(CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C[NH+](C)C	REAL300030627171	0	51	0.0	-77.32	391.32	4.29	-73.03
O=C(C[NH+]1CCC(O)CC1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030627222	1	47	0.0	-78.63	369.08	-0.15	-78.78
C[N@H+](CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1CC1	REAL300030627224	0	43	0.0	-71.52	345.75	2.75	-68.77
C[N@@H+](CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1CC1	REAL300030627224	1	43	0.0	-71.17	345.75	2.74	-68.43
CC(C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)N1CC[NH+](C)CC1	REAL300030627225	1	51	0.0	-69.10	387.25	0.91	-68.19
C[NH+]1CC(CC(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030627255	0	43	0.0	-74.10	347.80	2.19	-71.91
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1CC[N@@H+]1C1CCCC1	REAL300030627259	0	50	0.0	-73.34	388.56	4.31	-69.03
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1CC[N@H+]1C1CCCC1	REAL300030627259	1	50	0.0	-76.62	389.56	4.23	-72.39
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030627267	0	49	0.0	-70.80	377.76	3.05	-67.75
CC(C)(C)[N@H+]1CCC1C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030627267	1	49	0.0	-69.62	377.81	3.07	-66.55
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300030627279	0	49	0.0	-75.30	391.03	1.80	-73.50
C[C@@H](C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)[NH+](C)C	REAL300030627283	0	42	0.0	-71.15	334.74	1.77	-69.38
CCC1CCC[N@H+](CC(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030627333	0	52	0.0	-75.47	392.46	4.56	-70.91
CCC1CCC[N@@H+](CC(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030627333	1	52	0.0	-75.29	392.65	4.57	-70.72
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)N1	REAL300030627342	0	47	0.0	-89.64	385.46	2.87	-86.77
C[NH+]1C2CCC1CC(CC(=O)N[C@@H]1[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]31)C2	REAL300030627356	0	53	0.0	-71.37	395.36	4.30	-67.07
C[NH+](C)C(CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1=CC=CC=C1	REAL300030627361	0	52	0.0	-81.56	406.44	5.37	-76.19
[NH2+]=C1SC=CN1CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030627402	0	39	0.0	-70.29	345.82	1.66	-68.63
C[N@H+](CCO)CCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030627412	0	46	0.0	-75.54	366.92	-0.65	-76.19
C[N@@H+](CCO)CCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030627412	1	46	0.0	-76.12	368.96	-0.56	-76.68
C[C@@H](C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)[NH+](C)C	REAL300030627413	0	42	0.0	-71.15	334.74	1.77	-69.38
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030627418	0	46	0.0	-73.82	351.13	2.89	-70.93
C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030627418	1	46	0.0	-72.69	360.49	3.09	-69.60
CC1CN2CC[N@@H+]1CC2C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030627426	0	49	0.0	-81.50	369.13	0.32	-81.18
CC1CN2CC[N@H+]1CC2C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030627426	1	49	0.0	-84.07	371.31	0.46	-83.61
O=C(CC1=CC2=C[NH+]=CN2C=C1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030627487	0	44	0.0	-74.27	372.93	5.66	-68.61
C[N@H+](CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1CCSC1	REAL300030627516	0	47	0.0	-79.79	377.87	3.72	-76.07
C[N@@H+](CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1CCSC1	REAL300030627516	1	47	0.0	-77.92	375.79	3.61	-74.31
O=C(C[NH+]1CCC1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030627517	1	40	0.0	-74.25	326.61	1.80	-72.45
C[NH+](C)CC1=CC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)=CC=N1	REAL300030627554	1	48	0.0	-76.88	392.62	3.50	-73.38
C[N@@H+]1CCC(=CC(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030627555	0	44	0.0	-79.38	357.37	3.01	-76.37
C[N@H+]1CCC(=CC(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030627555	1	44	0.0	-77.61	355.16	2.87	-74.74
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1C[NH+](C2CCCCC2)C1	REAL300030627582	0	53	0.0	-77.88	408.60	4.72	-73.16
C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030627598	0	46	0.0	-76.66	374.40	2.52	-74.14
CCCCC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030627606	0	54	0.0	-78.78	423.12	5.00	-73.78
CCCCC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030627606	1	54	0.0	-77.03	421.07	4.87	-72.16
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)O1	REAL300030627616	0	50	0.0	-78.13	397.61	3.37	-74.76
C=CCC(C)(C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)[NH+](C)C	REAL300030627628	0	49	0.0	-80.25	372.46	4.19	-76.06
C[S+](C)CCC(O)C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030627633	0	45	0.0	-85.23	383.74	1.09	-84.14
CN1CC[N@H+](C)CC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030627683	0	51	0.0	-73.84	389.62	1.23	-72.61
CN1CC[N@@H+](C)CC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030627683	1	51	0.0	-73.84	389.62	1.23	-72.61
CC(C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)[N@@H+]1CCCC(O)C1	REAL300030627684	0	50	0.0	-72.66	385.24	0.46	-72.20
O=C(CN1CCC(CO)CC1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030627700	0	50	0.0	-77.63	389.68	0.51	-77.12
O=C(C[NH+]1CCC(CO)CC1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030627700	1	50	0.0	-77.63	389.68	0.51	-77.12
C[N@@H+]1CCCC(O)(CC(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030627711	0	50	0.0	-70.63	386.59	1.68	-68.95
C[N@H+]1CCCC(O)(CC(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030627711	1	50	0.0	-70.63	386.59	1.68	-68.95
CC1CN(CC(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030627715	0	43	0.0	-73.87	347.70	2.45	-71.42
CC1C[NH+](CC(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030627715	1	43	0.0	-73.87	347.70	2.45	-71.42
CN(CCO)CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030627744	0	43	0.0	-75.15	346.59	-1.09	-76.24
C[N@H+](CCO)CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030627744	1	43	0.0	-75.82	346.37	-1.09	-76.91
C[N@@H+](CCO)CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030627744	1	43	0.0	-75.82	346.37	-1.09	-76.91
C[NH+]1C2CCC1CC(=CC(=O)N[C@@H]1[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]31)C2	REAL300030627772	0	51	0.0	-74.77	392.04	4.41	-70.36
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1C[N@@H+]2CCN1CCC2	REAL300030627776	0	49	0.0	-80.53	366.94	0.79	-79.74
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1C[N@H+]2CCN1CCC2	REAL300030627776	1	49	0.0	-80.53	366.94	0.79	-79.74
CC[N@@H+]1CCCC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030627785	0	49	0.0	-72.38	378.64	3.63	-68.75
CC[N@H+]1CCCC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030627785	1	49	0.0	-72.38	378.64	3.63	-68.75
CC(CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C[NH+](C)C	REAL300030627787	0	48	0.0	-80.21	375.64	3.47	-76.74
CC[N@H+](C)CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030627802	0	42	0.0	-74.52	336.24	2.15	-72.37
CC[N@H+](CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1CC1	REAL300030627865	0	46	0.0	-70.61	365.67	3.41	-67.20
CC[N@@H+](CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1CC1	REAL300030627865	1	46	0.0	-71.06	362.71	3.32	-67.74
CC[NH+](CC)CCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030627884	0	48	0.0	-75.05	370.11	3.01	-72.04
C[NH+]1CCC(=CC(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)CC1	REAL300030627905	0	47	0.0	-77.23	372.07	3.76	-73.47
O=C(CCCC[NH+]1CCCCC1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030627928	0	55	0.0	-77.77	425.52	5.50	-72.27
CC1(O)CC[N@H+](CC(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030627959	0	47	0.0	-72.46	372.13	-0.25	-72.71
CC1(O)CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030627959	1	47	0.0	-73.62	374.53	-0.10	-73.72
C[NH+](C)CC=CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030627969	0	43	0.0	-80.67	354.72	2.69	-77.98
CC(OCC[NH+](C)C)C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030627991	0	49	0.0	-74.91	394.15	3.23	-71.68
C[NH+](C)CCOCCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030628003	0	49	0.0	-73.71	393.33	2.16	-71.55
COCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030628004	1	46	0.0	-74.56	366.43	1.19	-73.37
COCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030628004	1	46	0.0	-75.37	368.84	1.31	-74.06
COCCCC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030628036	0	55	0.0	-81.75	435.29	3.29	-78.46
COCCCC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030628036	1	55	0.0	-79.97	433.24	3.16	-76.81
CC(CCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)[NH+](C)C	REAL300030628061	0	48	0.0	-78.62	369.86	3.10	-75.52
CC[N@@H+]1CCC1C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030628072	1	43	0.0	-74.47	350.56	2.47	-72.00
CC[N@H+]1CCC1C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030628072	1	43	0.0	-73.00	348.01	2.33	-70.67
CC(C)[N@@H+]1CCCC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030628087	0	52	0.0	-67.32	388.92	4.34	-62.98
CC(C)[N@H+]1CCCC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030628087	1	52	0.0	-65.58	389.00	4.34	-61.24
CN1C=C[NH+]=C1N1CCC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030628088	1	50	0.0	-70.28	397.44	3.94	-66.34
CC(C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)[N@H+](C)CC1=CC=CC=C1	REAL300030628094	0	52	0.0	-75.41	413.41	5.46	-69.95
CC(C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)[N@@H+](C)CC1=CC=CC=C1	REAL300030628094	1	52	0.0	-77.38	413.30	5.47	-71.91
O=C(C[N@H+]1CCCC1CO)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030628103	0	47	0.0	-70.35	364.37	0.03	-70.32
O=C(C[N@@H+]1CCCC1CO)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030628103	1	47	0.0	-72.83	365.95	-0.60	-73.43
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1CC2CCCC[N@@H+]2C1	REAL300030628129	0	50	0.0	-74.37	386.60	4.14	-70.23
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1CC2CCCC[N@H+]2C1	REAL300030628129	1	50	0.0	-80.66	385.98	4.18	-76.48
C[NH+](C)CC1=CNC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)=C1	REAL300030628141	0	47	0.0	-78.43	382.66	2.61	-75.82
CC(C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)[NH+]1CCC(O)CC1	REAL300030628158	1	50	0.0	-77.70	389.41	0.40	-77.30
C#CC1(O)CC[NH+](C(C)C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)CC1	REAL300030628167	1	52	0.0	-71.82	410.11	1.21	-70.61
C=CCC(C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)[NH+](C)C	REAL300030628177	0	46	0.0	-72.37	360.27	2.88	-69.49
C[NH+](C)C12CCC(C(=O)N[C@@H]3[C@H]4CCN(C(=O)C5=CC(=O)[N-]O5)[C@H]43)(CC1)CC2	REAL300030628186	0	56	0.0	-84.67	408.19	4.73	-79.94
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030628192	0	49	0.0	-74.07	376.18	3.04	-71.03
C[N@H+]1CC(C)(C)CC1C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030628192	1	49	0.0	-70.08	376.88	2.99	-67.09
C[NH+](C)CCCCCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030628197	0	51	0.0	-78.62	405.36	4.39	-74.23
O=C(C[NH+]1CC2CC2C1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030628209	0	44	0.0	-75.50	353.58	3.31	-72.19
CC1C[N@@H+](C2CCC2C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)CCO1	REAL300030628226	0	54	0.0	-72.49	411.49	3.52	-68.97
CC1C[N@H+](C2CCC2C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)CCO1	REAL300030628226	1	54	0.0	-76.52	414.74	3.84	-72.68
CC1C[N@@H+]2CCN1C(C(=O)N[C@@H]1[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]31)C2	REAL300030628251	0	49	0.0	-77.83	369.35	0.36	-77.47
CC1C[N@H+]2CCN1C(C(=O)N[C@@H]1[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]31)C2	REAL300030628251	1	49	0.0	-86.94	371.55	0.54	-86.40
CCCC(C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)[NH+](C)C	REAL300030628253	0	48	0.0	-74.10	370.45	3.24	-70.86
CC[NH+](CC)CCSCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030628302	0	52	0.0	-77.89	414.65	4.40	-73.49
C[N@@H+]1CCCCC1C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030628311	0	46	0.0	-72.52	348.94	2.77	-69.75
C[N@H+]1CCCCC1C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030628311	1	46	0.0	-71.57	351.29	2.91	-68.66
C[N@H+]1CC=C(CC(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)CC1	REAL300030628365	0	47	0.0	-74.07	378.04	3.78	-70.29
C[N@@H+]1CC=C(CC(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)CC1	REAL300030628365	1	47	0.0	-71.60	377.62	3.80	-67.80
O=C(CC1([NH+]2CCCC2)CC1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030628376	0	50	0.0	-71.34	382.62	4.11	-67.23
CN(C)CC1=CC=C(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)O1	REAL300030628435	0	46	0.0	-86.55	383.44	3.25	-83.30
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)O1	REAL300030628435	1	46	0.0	-86.55	383.44	3.25	-83.30
O=C(C=CC[NH+]1CCCC1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030628456	0	47	0.0	-79.29	381.16	3.87	-75.42
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1CC[NH+](C2CC2)CC1	REAL300030628483	0	50	0.0	-76.52	390.19	4.40	-72.12
C[N@@H+]1CC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C(C(F)(F)F)C1	REAL300030628502	0	46	0.0	-80.04	380.07	3.11	-76.93
C[N@H+]1CC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C(C(F)(F)F)C1	REAL300030628502	1	46	0.0	-80.04	380.07	3.11	-76.93
O=C(CC[NH+]1CCCC1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030628507	0	46	0.0	-75.05	363.81	3.03	-72.02
CN1CC(N2CC(C(=O)N[C@@H]3[C@H]4CCN(C(=O)C5=CC(=O)[N-]O5)[C@H]43)CC2=O)C1	REAL300030628517	0	51	0.0	-78.23	407.16	2.20	-76.03
C[NH+]1CC(N2CC(C(=O)N[C@@H]3[C@H]4CCN(C(=O)C5=CC(=O)[N-]O5)[C@H]43)CC2=O)C1	REAL300030628517	1	51	0.0	-78.23	407.16	2.20	-76.03
CC1=C(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C=NN1CC[NH+](C)C	REAL300030628581	0	52	0.0	-81.28	416.44	3.34	-77.94
O=C(C[N@@H+]1CC2CCC1C2)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030628584	0	47	0.0	-72.62	365.03	3.58	-69.04
CC(C)[NH+]1CCC(CC(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)CC1	REAL300030628600	0	55	0.0	-74.25	412.35	4.80	-69.45
O=C(C=C1C[NH+]2CCC1CC2)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030628649	0	48	0.0	-69.34	372.97	3.78	-65.56
O=C(CN1CC2C=CC1C2)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030628660	0	45	0.0	-72.01	355.64	3.32	-68.69
O=C(C[N@@H+]1CC2C=CC1C2)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030628660	1	45	0.0	-73.12	358.25	3.43	-69.69
O=C(C[N@H+]1CC2C=CC1C2)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030628660	1	45	0.0	-73.12	358.25	3.43	-69.69
C[NH+](C)CC(C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1=CC=CC=C1	REAL300030628692	0	52	0.0	-83.46	414.63	5.58	-77.88
CC(C[NH+](C)C)C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030628717	0	45	0.0	-66.63	354.02	2.72	-63.91
C[N@@H+]1CCCCC1CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030628814	0	49	0.0	-78.58	377.91	3.67	-74.91
C[N@H+]1CCCCC1CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030628814	1	49	0.0	-78.58	377.91	3.67	-74.91
CC1=C2C=C(C(=O)N[C@@H]3[C@H]4CCN(C(=O)C5=CC(=O)[N-]O5)[C@H]43)C=CN2C=N1	REAL300030628832	0	44	0.0	-77.88	368.62	5.42	-72.46
CC1=C2C=C(C(=O)N[C@@H]3[C@H]4CCN(C(=O)C5=CC(=O)[N-]O5)[C@H]43)C=CN2C=[NH+]1	REAL300030628832	1	44	0.0	-77.88	368.62	5.42	-72.46
CC(C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)N1CC(C)C1	REAL300030628833	0	46	0.0	-71.20	365.21	3.04	-68.16
CC(C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)[NH+]1CC(C)C1	REAL300030628833	1	46	0.0	-71.20	365.21	3.04	-68.16
CC1CCN1CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030628837	0	43	0.0	-72.60	344.31	2.30	-70.30
CC1CC[N@@H+]1CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030628837	1	43	0.0	-72.17	347.57	2.43	-69.74
CC1CC[N@H+]1CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030628837	1	43	0.0	-72.17	347.57	2.43	-69.74
C[NH+](C)CC(O)CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030628841	0	46	0.0	-81.72	371.10	0.51	-81.21
CC1C[N@H+](C)CC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)O1	REAL300030628875	1	47	0.0	-91.96	369.90	2.22	-89.74
CC1C[N@@H+](C)CC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)O1	REAL300030628875	1	47	0.0	-84.73	367.61	2.09	-82.64
O=C(CC[NH+]1CCC(O)CC1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030628888	0	50	0.0	-78.56	391.60	0.45	-78.11
CCC[N@@H+]1CCCCC1C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030628891	0	52	0.0	-68.73	397.57	4.34	-64.39
CCC[N@H+]1CCCCC1C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030628891	1	52	0.0	-72.23	400.18	4.45	-67.78
CC[NH+]1CCN(CCC(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)CC1	REAL300030628895	0	54	0.0	-79.95	415.96	1.99	-77.96
CCN1CC[NH+](CCC(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)CC1	REAL300030628895	1	54	0.0	-76.08	415.12	2.02	-74.06
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300030628898	0	53	0.0	-73.94	386.73	4.10	-69.84
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300030628898	1	53	0.0	-68.28	391.02	4.82	-63.46
CC(C)C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)CC1	REAL300030628947	0	55	0.0	-77.07	417.23	5.10	-71.97
C[NH+](C)C1CCN(CC(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)CC1	REAL300030628968	0	54	0.0	-75.35	411.86	2.19	-73.16
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030628991	0	46	0.0	-72.91	366.02	3.05	-69.86
CC(CC[NH+](C)C)C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030629001	0	48	0.0	-74.73	376.39	3.24	-71.49
C[N@H+](CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)[C@@H]1CCC[C@H]1O	REAL300030629033	0	50	0.0	-69.03	387.00	0.72	-68.31
C[N@@H+](CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)[C@@H]1CCC[C@H]1O	REAL300030629033	1	50	0.0	-71.73	386.90	0.73	-71.00
C#CC[N@H+]1CCCCC1C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030629041	1	48	0.0	-72.89	385.79	4.28	-68.61
C#CC[N@@H+]1CCCCC1C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030629041	1	48	0.0	-72.22	374.37	4.00	-68.22
C[NH+](C)C(CC1=CC=CC=C1)C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030629046	0	52	0.0	-72.46	410.03	5.97	-66.49
C[NH+]1CCN(CC(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)CC1	REAL300030629048	1	48	0.0	-73.07	375.36	0.85	-72.22
CC[NH+]1CCN(CC(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)CC1	REAL300030629059	0	51	0.0	-72.11	392.60	1.49	-70.62
NC(=[NH2+])SCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030629085	0	37	0.0	-78.33	326.42	-1.57	-79.90
CC[N@@H+]1CCOCC1CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030629133	0	50	0.0	-76.65	380.00	1.65	-75.00
CC1CCCC(C)[NH+]1CCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030629151	0	55	0.0	-72.34	407.11	4.47	-67.87
C[NH+](C)C1CCC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)CC1	REAL300030629154	0	52	0.0	-73.17	388.56	4.05	-69.12
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)CC1	REAL300030629158	0	52	0.0	-66.40	390.82	4.18	-62.22
C[N@@H+]1CC=CCC1CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030629159	0	47	0.0	-69.10	364.67	3.47	-65.63
C[N@H+]1CC=CCC1CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030629159	1	47	0.0	-69.10	364.67	3.47	-65.63
C[C@@H](OCC[NH+](C)C)C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030629188	0	49	0.0	-73.25	392.07	3.07	-70.18
C[NH+]1C2CCC1CC(C(=O)N[C@@H]1[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]31)C2	REAL300030629223	0	50	0.0	-76.12	376.33	3.57	-72.55
C[NH+]1CCC(O)(C2(C(=O)N[C@@H]3[C@H]4CCN(C(=O)C5=CC(=O)[N-]O5)[C@H]43)CC2)CC1	REAL300030629331	0	54	0.0	-68.50	409.32	2.31	-66.19
CC(C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)[NH+]1CCSCC1	REAL300030629376	1	47	0.0	-74.92	375.67	3.37	-71.55
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1C[NH+](C2CCOCC2)C1	REAL300030629380	0	51	0.0	-81.84	401.98	2.48	-79.36
C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030629391	1	43	0.0	-70.95	336.26	1.89	-69.06
O=C(CC[N@@H+]1CCC(F)C1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030629400	1	46	0.0	-76.05	370.70	3.15	-72.90
O=C(CC[NH+]1CCCCCC1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030629423	0	52	0.0	-76.43	390.49	3.99	-72.44
O=C(C[NH+]1CCCCC1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030629427	0	46	0.0	-73.55	357.99	3.21	-70.34
CC1C(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)CC[N@@H+]1C	REAL300030629435	0	46	0.0	-76.52	356.16	2.68	-73.84
CC1C(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)CC[N@H+]1C	REAL300030629435	1	46	0.0	-73.28	364.14	3.08	-70.20
C[N@@H+]1CCCCC1CCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030629438	0	52	0.0	-72.30	397.41	4.27	-68.03
C[N@H+]1CCCCC1CCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030629438	1	52	0.0	-73.14	397.79	4.28	-68.86
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1CC[N@@H+]2CCOCC12	REAL300030629474	0	48	0.0	-79.18	375.86	1.66	-77.52
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1CC[N@H+]2CCOCC12	REAL300030629474	1	48	0.0	-73.87	375.16	1.61	-72.26
CC1=[NH+]C=C2C=CC(C(=O)N[C@@H]3[C@H]4CCN(C(=O)C5=CC(=O)[N-]O5)[C@H]43)=CN21	REAL300030629482	0	44	0.0	-71.34	367.83	4.63	-66.71
CN1CCOCC1CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030629503	0	47	0.0	-71.61	359.47	1.02	-70.59
C[N@@H+]1CCOCC1CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030629503	1	47	0.0	-81.08	366.93	1.16	-79.92
C[N@H+]1CCOCC1CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030629503	1	47	0.0	-71.61	359.47	1.02	-70.59
CC1=C(C)[NH+]=C(CCC(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)N1	REAL300030629515	1	47	0.0	-69.32	386.50	2.63	-66.69
C[NH+](C)CCC1=CC=CC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)=C1	REAL300030629525	0	52	0.0	-81.08	419.12	5.78	-75.30
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1CCN1CC1=CC=CC=C1	REAL300030629528	0	50	0.0	-79.00	410.19	5.48	-73.52
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300030629528	1	50	0.0	-73.70	400.07	4.96	-68.74
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1CC[N@H+]1CC1=CC=CC=C1	REAL300030629528	1	50	0.0	-79.00	410.19	5.48	-73.52
CC(C)C[N@@H+]1CCCC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030629532	0	55	0.0	-69.03	408.45	5.22	-63.81
CC(C)C[N@H+]1CCCC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C1	REAL300030629532	1	55	0.0	-74.21	419.75	5.20	-69.01
C[N@@H+]1CCCC1C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030629688	0	43	0.0	-67.85	341.36	2.32	-65.53
C[N@H+]1CCCC1C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030629688	1	43	0.0	-67.80	342.89	2.30	-65.50
CC1=[NH+]C=CN1CCCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030629883	1	47	0.0	-70.38	390.56	4.37	-66.01
O=C(CCCC[NH+]1CCOCC1)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030629887	1	53	0.0	-76.76	417.75	3.06	-73.70
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C=C1	REAL300030629891	0	49	0.0	-83.10	394.75	4.58	-78.52
O=C(CC[NH+]1CCOCC1)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030629892	1	47	0.0	-77.61	376.96	1.61	-76.00
CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030629914	0	57	0.0	-73.29	442.04	5.69	-67.60
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030629946	1	41	0.0	-60.40	347.16	4.60	-55.80
C[NH+](C)C1CCCC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030630025	0	52	0.0	-81.64	390.54	3.99	-77.65
C[N@@H+]1CCC(CC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030630032	0	46	0.0	-76.23	367.91	3.20	-73.03
C[N@H+]1CCC(CC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030630032	1	46	0.0	-74.01	366.00	3.06	-70.95
CCC(C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21)[NH+](C)C	REAL300030630049	0	45	0.0	-68.09	349.63	2.46	-65.63
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=NN(C4=CC=[NH+]C=C4)C=C3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030630059	1	44	0.0	-89.64	378.52	3.24	-86.40
CC1CC2CCC(C(=O)N3CC[C@@H]4[C@@H](NC(=O)C5=CC(=O)[N-]O5)[C@@H]43)C[N@@H+]2C1	REAL300030630109	0	53	0.0	-64.97	400.05	4.84	-60.13
CC1CC2CCC(C(=O)N3CC[C@@H]4[C@@H](NC(=O)C5=CC(=O)[N-]O5)[C@@H]43)C[N@H+]2C1	REAL300030630109	1	53	0.0	-66.24	407.40	4.67	-61.57
C[NH+](C)CCCCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030630143	0	48	0.0	-77.03	387.08	3.73	-73.30
CCC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030630166	0	48	0.0	-75.99	383.72	3.55	-72.44
CCC[N@@H+](C)CCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030630166	1	48	0.0	-76.01	383.32	3.54	-72.47
CCC[N@H+](C)CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030630171	0	45	0.0	-72.54	360.91	2.98	-69.56
CCC[N@@H+](C)CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030630171	1	45	0.0	-71.28	358.78	2.85	-68.43
O=C(N[C@@H]1[C@H]2CCN(C(=O)C34CC[N@H+](C3)CCC4)[C@H]21)C1=CC(=O)[N-]O1	REAL300030630196	0	47	0.0	-74.29	353.27	2.33	-71.96
O=C(N[C@@H]1[C@H]2CCN(C(=O)C34CC[N@@H+](C3)CCC4)[C@H]21)C1=CC(=O)[N-]O1	REAL300030630196	1	47	0.0	-75.35	355.47	2.43	-72.92
CCCCCC[N@H+](C)CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030630240	0	54	0.0	-73.76	425.41	5.34	-68.42
CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030630240	1	54	0.0	-73.70	425.40	5.34	-68.36
CC1CC[NH+](CC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)CC1	REAL300030630293	0	49	0.0	-73.16	384.30	4.06	-69.10
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030630321	1	44	0.0	-71.98	376.23	2.58	-69.40
C[NH+]1CCC(OCC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)CC1	REAL300030630329	0	50	0.0	-83.14	401.68	3.76	-79.38
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3CC4CCCC[N@@H+]4C3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030630391	0	50	0.0	-74.57	383.83	4.07	-70.50
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3CC4CCCC[N@H+]4C3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030630391	1	50	0.0	-75.85	382.93	3.96	-71.89
C[NH+](C)CC1(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)CC1	REAL300030630410	0	46	0.0	-68.14	368.51	3.03	-65.11
CC1=[NH+]C=C2CCC(C(=O)N3CC[C@@H]4[C@@H](NC(=O)C5=CC(=O)[N-]O5)[C@@H]43)CN21	REAL300030630411	1	48	0.0	-68.85	385.91	4.03	-64.82
CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)CC1	REAL300030630422	0	52	0.0	-74.47	394.79	3.96	-70.51
CC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030630457	0	45	0.0	-75.14	361.83	2.82	-72.32
CC[N@@H+](C)CCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030630457	1	45	0.0	-75.21	361.82	2.81	-72.40
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3CC[N@@H+](C4CCCCC4)C3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030630496	0	56	0.0	-72.30	420.96	5.23	-67.07
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3CC[N@H+](C4CCCCC4)C3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030630496	1	56	0.0	-73.44	421.54	5.26	-68.18
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3C[NH+]4CCC3CC4)[C@H]21)C1=CC(=O)[N-]O1	REAL300030630513	0	47	0.0	-79.32	358.73	3.09	-76.23
C[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)CC1	REAL300030630604	0	46	0.0	-77.61	364.16	3.01	-74.60
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030630703	0	53	0.0	-80.26	411.53	5.19	-75.07
CC[NH+](CC)CC(F)C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030630751	0	48	0.0	-73.38	383.29	3.54	-69.84
CC(C)C[N@@H+]1CCC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030630787	0	52	0.0	-73.78	403.67	4.44	-69.34
CC(C)C[N@H+]1CCC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030630787	1	52	0.0	-72.62	401.68	4.39	-68.23
CCC(C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21)[NH+](CC)CC	REAL300030630820	0	51	0.0	-66.02	385.90	3.76	-62.26
CC1CCC[N@@H+]1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030630846	0	46	0.0	-67.88	365.48	3.10	-64.78
CC1CCC[N@H+]1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030630846	1	46	0.0	-68.80	360.48	2.94	-65.86
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030630944	1	50	0.0	-66.40	404.88	4.62	-61.78
CC(C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21)[NH+]1CCCCCC1	REAL300030630948	0	52	0.0	-67.34	388.12	3.84	-63.50
CC(C)[N@@H+]1CCCC1C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030630982	0	49	0.0	-66.00	377.53	3.44	-62.56
CC(C)[N@H+]1CCCC1C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030630982	1	49	0.0	-65.78	374.57	3.29	-62.49
CC(C)[N@@H+]1CCCC1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030630995	0	52	0.0	-63.22	391.43	3.61	-59.61
CC(C)[N@H+]1CCCC1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030630995	1	52	0.0	-66.89	392.47	3.72	-63.17
CC1CC[N@H+](CC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030631052	0	46	0.0	-71.67	367.85	3.29	-68.38
CC1CC[N@@H+](CC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030631052	1	46	0.0	-70.58	365.74	3.19	-67.39
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030631053	0	52	0.0	-69.11	396.21	3.58	-65.53
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030631053	1	52	0.0	-64.72	398.07	3.66	-61.06
CC1=[NH+]C=C2CC(C(=O)N3CC[C@@H]4[C@@H](NC(=O)C5=CC(=O)[N-]O5)[C@@H]43)CCN21	REAL300030631054	1	48	0.0	-69.98	384.64	3.94	-66.04
C[NH+](C)CCC1=CC=C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C=C1	REAL300030631056	0	52	0.0	-83.51	417.20	5.43	-78.08
CC1(C)CC[N@H+](CC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030631058	0	49	0.0	-70.67	385.06	3.69	-66.98
CC1(C)CC[N@@H+](CC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030631058	1	49	0.0	-70.32	384.49	3.69	-66.63
C[N@H+](CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21)CC(C)(C)C	REAL300030631059	0	51	0.0	-71.13	389.17	3.94	-67.19
C[N@@H+](CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21)CC(C)(C)C	REAL300030631059	1	51	0.0	-70.82	389.24	3.98	-66.84
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030631060	0	52	0.0	-75.74	420.81	6.03	-69.71
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030631060	1	52	0.0	-75.89	420.83	6.03	-69.86
CC[C@@H](C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21)[NH+](C)C	REAL300030631069	0	45	0.0	-70.45	352.49	2.63	-67.82
CC(COCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21)[NH+]1CCCC1	REAL300030631076	0	53	0.0	-69.88	418.18	4.28	-65.60
CN(CCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21)C1=CC=[NH+]C=C1	REAL300030631243	0	48	0.0	-70.83	393.94	3.13	-67.70
CC1=[NH+]C=CN1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030631361	1	41	0.0	-68.08	349.17	3.10	-64.98
CC(C[NH+]1CCOCC1)C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030631363	1	50	0.0	-75.70	389.07	2.05	-73.65
O=C(CCC[NH+]1CCCCC1)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030631381	0	52	0.0	-74.86	407.22	4.84	-70.02
C[NH+](C)CC1=CC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)=NO1	REAL300030631401	1	45	0.0	-80.55	375.37	2.73	-77.82
CC1=C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C=CC2=C[NH+]=CN21	REAL300030631403	0	44	0.0	-74.00	372.36	5.10	-68.90
CC(C)C1=[NH+]C=CN1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030631463	1	47	0.0	-67.61	387.49	4.30	-63.31
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3CCCC4CCC[N@@H+]43)[C@H]21)C1=CC(=O)[N-]O1	REAL300030631518	0	50	0.0	-53.90	388.67	4.32	-49.58
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3CCCC4CCC[N@H+]43)[C@H]21)C1=CC(=O)[N-]O1	REAL300030631518	1	50	0.0	-65.30	382.55	4.13	-61.17
CC[N@@H+]1CCOC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030631559	1	47	0.0	-69.99	363.75	2.19	-67.80
CC[N@H+]1CCOC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030631559	1	47	0.0	-78.63	365.90	2.31	-76.32
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030631633	0	41	0.0	-60.94	346.85	4.57	-56.37
CC1=C[NH+]=CN1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030631638	1	41	0.0	-70.72	351.44	3.92	-66.80
C[NH+](C)CCN1C=C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C=N1	REAL300030631644	0	49	0.0	-70.51	401.08	2.68	-67.83
C[NH+](C)CCN1C=CC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)=N1	REAL300030631658	0	49	0.0	-87.79	400.94	3.18	-84.61
C[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)CC[N@@H+]1C	REAL300030631665	0	46	0.0	-72.67	355.72	2.73	-69.94
C[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)CC[N@H+]1C	REAL300030631665	1	46	0.0	-74.05	362.82	3.14	-70.91
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030631668	1	50	0.0	-66.74	405.42	4.67	-62.07
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)CC[N@@H+]1C	REAL300030631671	0	49	0.0	-73.00	373.91	3.05	-69.95
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)CC[N@H+]1C	REAL300030631671	1	49	0.0	-71.94	378.84	3.60	-68.34
CC1CCC(C)[NH+]1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030631694	0	49	0.0	-70.79	369.15	3.17	-67.62
O=C(CCC[NH+]1CCCC1)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030631704	0	49	0.0	-73.05	389.38	4.00	-69.05
C[NH+](C)CC1=CC=CC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)=C1	REAL300030631705	0	49	0.0	-77.74	397.57	4.69	-73.05
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)CC1	REAL300030631714	0	48	0.0	-78.06	388.81	4.15	-73.91
O=C(CC[NH+]1CCCCC1)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030631715	0	49	0.0	-74.29	386.16	4.02	-70.27
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030631737	1	48	0.0	-68.61	391.05	5.50	-63.11
C[NH+](C)CC1(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)CCCCC1	REAL300030631772	0	55	0.0	-78.24	396.41	4.48	-73.76
C[N@H+](CCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21)C1CCCCC1	REAL300030631776	0	55	0.0	-74.40	418.12	5.11	-69.29
C[N@@H+](CCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21)C1CCCCC1	REAL300030631776	1	55	0.0	-74.65	417.89	5.09	-69.56
C[NH+](C)C1(CC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)CCCC1	REAL300030631779	0	52	0.0	-77.94	385.87	4.05	-73.89
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)=NN1	REAL300030631794	1	50	0.0	-78.46	396.45	2.37	-76.09
C[N@H+]1CCCC1C1=CC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)=NN1	REAL300030631794	1	50	0.0	-79.92	396.47	2.38	-77.54
C[N@H+](CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21)C1CCC1	REAL300030632023	0	46	0.0	-70.23	367.82	3.56	-66.67
C[N@@H+](CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21)C1CCC1	REAL300030632023	1	46	0.0	-69.00	365.69	3.41	-65.59
CC(C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21)[NH+]1C(C)CCC1C	REAL300030632057	0	52	0.0	-67.02	389.77	3.77	-63.25
CC[NH+](CC)CC1=CC=C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)O1	REAL300030632074	0	52	0.0	-83.68	419.20	4.79	-78.89
O=C(CCCC[NH+]1CCCC1)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030632079	0	52	0.0	-73.39	410.21	4.73	-68.66
C[N@H+](CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21)CC1=CC=CC=C1	REAL300030632082	1	49	0.0	-75.93	396.11	5.03	-70.90
C[N@@H+](CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21)CC1=CC=CC=C1	REAL300030632082	1	49	0.0	-75.76	396.26	5.04	-70.72
C[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)CC1	REAL300030632098	0	46	0.0	-77.61	364.16	3.01	-74.60
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030632159	0	43	0.0	-72.95	340.15	2.08	-70.87
C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030632159	1	43	0.0	-69.60	344.51	2.47	-67.13
C[N@@H+]1CCCC1CCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030632188	0	49	0.0	-71.93	381.43	3.50	-68.43
C[N@H+]1CCCC1CCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030632188	1	49	0.0	-79.05	385.27	3.96	-75.09
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3CCC4CCCC[N@@H+]43)[C@H]21)C1=CC(=O)[N-]O1	REAL300030632205	0	50	0.0	-67.76	385.30	4.32	-63.44
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3CCC4CCCC[N@H+]43)[C@H]21)C1=CC(=O)[N-]O1	REAL300030632205	1	50	0.0	-68.08	378.74	3.90	-64.18
CCC[N@@H+]1CCCC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030632300	0	52	0.0	-72.00	399.45	4.24	-67.76
CCC[N@H+]1CCCC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030632300	1	52	0.0	-71.95	403.24	4.38	-67.57
CC(C)[N@@H+]1CCOC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030632317	1	50	0.0	-80.66	387.84	2.93	-77.73
CC(C)[N@H+]1CCOC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030632317	1	50	0.0	-76.39	382.69	2.83	-73.56
O=C(C[NH+]1CCC(CO)CC1)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030632404	0	50	0.0	-72.70	392.93	0.61	-72.09
C[NH+]1C2CCC1CC(=CC(=O)N1CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]31)C2	REAL300030632452	0	51	0.0	-71.73	391.36	4.36	-67.37
CC1C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)CC[N@@H+]1C	REAL300030632471	0	46	0.0	-73.54	365.01	2.93	-70.61
CC1C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)CC[N@H+]1C	REAL300030632471	1	46	0.0	-70.00	362.43	2.83	-67.17
C[N@@H+]1CCCCC1CCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030632475	0	52	0.0	-76.98	393.44	4.20	-72.78
C[N@H+]1CCCCC1CCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030632475	1	52	0.0	-71.23	400.78	4.40	-66.83
NC1=[NH+]C2=C(C=C1C(=O)N1CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]31)CCC2	REAL300030632512	1	46	0.0	-64.24	372.96	2.14	-62.10
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030632591	0	49	0.0	-70.15	361.42	2.65	-67.50
CC(C)(C)[N@H+]1CCC1C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030632591	1	49	0.0	-68.67	361.47	2.41	-66.26
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3CCN(C4=CC=[NH+]C=C4)C3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030632611	0	49	0.0	-76.17	393.97	1.91	-74.26
C[C@@H](C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21)[NH+](C)C	REAL300030632617	0	42	0.0	-69.18	337.13	1.86	-67.32
C[NH+](C)CC1=CC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)=CC=N1	REAL300030632638	1	48	0.0	-88.58	392.70	3.23	-85.35
C=CCC(C)(C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21)[NH+](C)C	REAL300030632644	0	49	0.0	-65.10	367.11	3.04	-62.06
CC[NH+](CC)CCSCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030632682	0	52	0.0	-79.61	419.79	4.64	-74.97
NC1=C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C=[NH+]C2=CC=CC=C21	REAL300030632683	1	45	0.0	-70.89	372.76	1.73	-69.16
O=C(CC[NH+]1CCCC1)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030632688	0	46	0.0	-74.93	369.46	3.25	-71.68
C[N@H+](CCO)CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030632697	1	43	0.0	-73.04	349.77	-0.99	-74.03
C[N@@H+](CCO)CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030632697	1	43	0.0	-72.06	347.33	-1.12	-73.18
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3C[N@@H+]4CCN3CCC4)[C@H]21)C1=CC(=O)[N-]O1	REAL300030632740	0	49	0.0	-83.40	370.29	1.33	-82.07
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3C[N@H+]4CCN3CCC4)[C@H]21)C1=CC(=O)[N-]O1	REAL300030632740	1	49	0.0	-83.66	362.23	0.86	-82.80
CC(C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21)[NH+]1CCSCC1	REAL300030632779	1	47	0.0	-71.86	377.16	3.42	-68.44
C[N@H+]1CC=C(CC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)CC1	REAL300030632828	0	47	0.0	-70.77	378.85	3.83	-66.94
C[N@@H+]1CC=C(CC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)CC1	REAL300030632828	1	47	0.0	-68.89	378.62	3.79	-65.10
C[NH+]1CC(N2CC(C(=O)N3CC[C@@H]4[C@@H](NC(=O)C5=CC(=O)[N-]O5)[C@@H]43)CC2=O)C1	REAL300030632839	1	51	0.0	-74.14	405.45	2.06	-72.08
C[S+](C)CCC(O)C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030632847	0	45	0.0	-79.70	380.23	0.93	-78.77
CN1CC[N@H+](C)CC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030632895	0	51	0.0	-69.18	386.39	1.24	-67.94
CN1CC[N@@H+](C)CC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030632895	1	51	0.0	-69.98	386.79	0.89	-69.09
CC(C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21)[N@@H+]1CCCC(O)C1	REAL300030632896	0	50	0.0	-70.77	388.86	0.31	-70.46
CC(C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21)[N@H+]1CCCC(O)C1	REAL300030632896	1	50	0.0	-71.86	389.26	0.59	-71.27
C[N@@H+]1CCCC(O)(CC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030632940	0	50	0.0	-73.26	389.13	2.06	-71.20
C[N@H+]1CCCC(O)(CC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030632940	1	50	0.0	-73.93	379.57	1.91	-72.02
CC1C[NH+](CC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030632946	1	43	0.0	-72.73	353.02	2.68	-70.05
CC[N@@H+]1CCCC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030632953	0	49	0.0	-71.42	377.80	3.45	-67.97
CC[N@H+]1CCCC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030632953	1	49	0.0	-77.07	374.72	3.66	-73.41
NC1=[NH+]C=CC=C1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030632969	0	42	0.0	-68.66	355.92	1.40	-67.26
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3CCC[N@@H+]3C3CC3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030632981	0	47	0.0	-68.41	370.44	3.44	-64.97
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3CCC[N@H+]3C3CC3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030632981	1	47	0.0	-69.96	368.31	3.25	-66.71
CC1C[N@@H+](C2CCC2C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)CCO1	REAL300030633011	0	54	0.0	-67.44	414.53	3.39	-64.05
CC1C[N@H+](C2CCC2C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)CCO1	REAL300030633011	1	54	0.0	-73.31	422.90	3.29	-70.02
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC=C(C[NH+]4CCCC4)O3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030633032	0	50	0.0	-85.00	408.53	4.56	-80.44
O=C(C=CC[NH+]1CCCC1)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030633039	0	47	0.0	-78.05	382.21	3.92	-74.13
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3CC[NH+](C4CC4)CC3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030633070	0	50	0.0	-77.87	392.14	4.37	-73.50
CC[N@H+](C)CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030633121	0	42	0.0	-71.07	337.28	2.12	-68.95
O=C(CN1CC2C=CC1C2)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030633195	0	45	0.0	-67.78	358.31	3.30	-64.48
O=C(C[N@@H+]1CC2C=CC1C2)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030633195	1	45	0.0	-68.11	360.98	3.45	-64.66
O=C(C[N@H+]1CC2C=CC1C2)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030633195	1	45	0.0	-68.11	360.98	3.45	-64.66
CC1=CC=C(NCCC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)N=C1	REAL300030633219	0	48	0.0	-68.37	398.42	2.86	-65.51
CC1=CC=C(NCCC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)[NH+]=C1	REAL300030633219	1	48	0.0	-68.37	398.42	2.86	-65.51
CC(OCC[NH+](C)C)C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030633376	0	49	0.0	-60.58	394.33	3.17	-57.41
C[NH+](C)CCOCCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030633389	0	49	0.0	-71.86	396.31	2.27	-69.59
COCCN(C)CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030633391	0	46	0.0	-72.02	369.59	1.28	-70.74
COCC[N@H+](C)CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030633391	1	46	0.0	-73.34	372.02	1.41	-71.93
COCC[N@@H+](C)CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030633391	1	46	0.0	-73.34	372.02	1.41	-71.93
CC(CCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21)[NH+](C)C	REAL300030633400	0	48	0.0	-73.40	379.00	3.33	-70.07
CC[N@H+](CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21)C1CC1	REAL300030633442	0	46	0.0	-71.10	363.08	3.47	-67.63
CC1C[N@@H+]2CCN1C(C(=O)N1CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]31)C2	REAL300030633453	0	49	0.0	-84.44	372.03	0.34	-84.10
CC1=NC(N)=CC=C1C=CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030633503	0	46	0.0	-72.89	383.33	2.10	-70.79
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030633503	1	46	0.0	-72.89	383.33	2.10	-70.79
CC1=C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C=NN1CC[NH+](C)C	REAL300030633509	0	52	0.0	-73.80	417.50	3.19	-70.61
O=C(C[N@@H+]1CC2CCC1C2)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030633512	0	47	0.0	-68.95	365.83	3.48	-65.47
O=C(C[N@H+]1CC2CCC1C2)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030633512	1	47	0.0	-68.95	365.83	3.48	-65.47
CC(C)[NH+]1CCC(CC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)CC1	REAL300030633531	0	55	0.0	-70.58	415.94	4.92	-65.66
CC(C[NH+](C)C)C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030633546	0	45	0.0	-67.72	353.69	2.55	-65.17
C[N@@H+]1CC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C(C(F)(F)F)C1	REAL300030633559	0	46	0.0	-75.66	367.85	2.67	-72.99
C[N@H+]1CC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C(C(F)(F)F)C1	REAL300030633559	1	46	0.0	-75.66	367.85	2.67	-72.99
CCN1CCC1C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030633603	0	43	0.0	-72.68	352.93	2.51	-70.17
CC[N@@H+]1CCC1C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030633603	1	43	0.0	-70.17	339.13	2.02	-68.15
CC[N@H+]1CCC1C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030633603	1	43	0.0	-70.17	339.13	2.02	-68.15
CC(C)[N@@H+]1CCCC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030633621	0	52	0.0	-71.62	396.67	4.10	-67.52
CC(C)[N@H+]1CCCC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030633621	1	52	0.0	-71.62	396.67	4.10	-67.52
CN1C=CN=C1N1CCC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030633623	0	50	0.0	-70.59	398.82	4.03	-66.56
CN1C=C[NH+]=C1N1CCC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030633623	1	50	0.0	-70.59	398.82	4.03	-66.56
CCC(C)(C)[NH2+]C(C)C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030633645	0	51	0.0	-66.98	380.37	1.75	-65.23
C#CCN1CCCCC1C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030633702	0	48	0.0	-70.05	387.23	4.29	-65.76
C#CC[N@H+]1CCCCC1C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030633702	1	48	0.0	-73.33	379.52	4.03	-69.30
C#CC[N@@H+]1CCCCC1C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030633702	1	48	0.0	-73.33	379.52	4.03	-69.30
CNC1=NC(C)=CC=C1C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030633705	0	45	0.0	-66.19	368.84	2.05	-64.14
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030633705	1	45	0.0	-66.19	368.84	2.05	-64.14
CCCC(C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21)[NH+](C)C	REAL300030633722	0	48	0.0	-67.57	369.49	3.12	-64.45
CC(CC[NH+](C)C)C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030633757	0	48	0.0	-77.44	383.10	3.35	-74.09
O=C(N[C@@H]1[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]4CCCC[C@H]34)[C@H]21)C1=CC(=O)[N-]O1	REAL300030633819	0	53	0.0	-60.25	394.41	4.85	-55.40
O=C(N[C@@H]1[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]4CCCC[C@H]34)[C@H]21)C1=CC(=O)[N-]O1	REAL300030633819	1	53	0.0	-60.25	394.41	4.85	-55.40
COCCCC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030633902	0	55	0.0	-79.97	438.89	3.42	-76.55
COCCCC[N@@H+](C)CCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030633902	1	55	0.0	-79.93	438.49	3.40	-76.53
C[NH+](C)C12CCC(C(=O)N3CC[C@@H]4[C@@H](NC(=O)C5=CC(=O)[N-]O5)[C@@H]43)(CC1)CC2	REAL300030633908	0	56	0.0	-80.39	400.65	4.13	-76.26
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030633915	0	49	0.0	-67.62	385.01	3.53	-64.09
C[N@H+]1CC(C)(C)CC1C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030633915	1	49	0.0	-70.03	383.38	3.62	-66.41
C[NH+](C)CCCCCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030633921	0	51	0.0	-74.05	406.35	4.39	-69.66
O=C(CC[NH+]1CCC(O)CC1)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030633927	0	50	0.0	-76.23	394.58	0.56	-75.67
CCC[N@@H+]1CCCCC1C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030633932	0	52	0.0	-68.92	387.98	3.93	-64.99
CCC[N@H+]1CCCCC1C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030633932	1	52	0.0	-69.25	390.50	4.04	-65.21
CC[NH+]1CCN(CCC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)CC1	REAL300030633941	0	54	0.0	-74.23	417.57	2.10	-72.13
CCN1CC[NH+](CCC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)CC1	REAL300030633941	1	54	0.0	-75.58	420.35	2.27	-73.31
C[NH+]1CCN(CC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)CC1	REAL300030633945	1	48	0.0	-71.53	378.51	0.94	-70.59
CC(C)C[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)CC1	REAL300030634086	0	55	0.0	-76.82	420.51	5.12	-71.70
CC1C[N@H+](C)CC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)O1	REAL300030634090	1	47	0.0	-85.50	367.16	2.07	-83.43
CC1C[N@@H+](C)CC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)O1	REAL300030634090	1	47	0.0	-83.42	366.96	2.07	-81.35
CCC1CCC[N@H+](CC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030634132	0	52	0.0	-71.67	393.67	4.56	-67.11
CCC1CCC[N@@H+](CC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030634132	1	52	0.0	-73.03	395.60	4.63	-68.40
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)N1	REAL300030634143	0	47	0.0	-59.14	384.26	3.00	-56.14
O=C(C[NH+]1CC2CC2C1)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030634166	0	44	0.0	-71.25	354.30	3.27	-67.98
O=C(CC1([NH+]2CCCC2)CC1)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030634188	0	50	0.0	-70.93	387.86	4.37	-66.56
CC([NH2+]C1(CO)CCCC1)C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030634208	0	53	0.0	-70.72	400.90	-0.57	-71.29
C[N@@H+]1CCCCC1C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030634243	0	46	0.0	-65.67	359.48	2.95	-62.72
C[N@H+]1CCCCC1C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030634243	1	46	0.0	-70.02	351.60	2.69	-67.33
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3CC[N@@H+]3CC3=CC=CC=C3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030634250	1	50	0.0	-76.87	412.95	5.54	-71.33
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3CC[N@H+]3CC3=CC=CC=C3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030634250	1	50	0.0	-71.09	399.71	4.92	-66.17
CC(C)C[N@@H+]1CCCC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030634257	0	55	0.0	-61.79	411.23	5.10	-56.69
CC(C)C[N@H+]1CCCC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030634257	1	55	0.0	-67.67	420.56	5.09	-62.58
C[NH+](C)C1CCN(CC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)CC1	REAL300030634323	0	54	0.0	-71.78	413.57	2.16	-69.62
C[N@@H+]1CCC(=CC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030634399	0	44	0.0	-78.54	358.53	3.13	-75.41
C[N@H+]1CCC(=CC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030634399	1	44	0.0	-76.62	356.19	3.02	-73.60
O=C(CNC1=CC=[NH+]C=C1)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030634407	0	42	0.0	-74.50	357.67	0.84	-73.66
CC[NH+]1CCN(CC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)CC1	REAL300030634475	0	51	0.0	-70.57	395.74	1.58	-68.99
O=C(C=C1C[NH+]2CCC1CC2)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030634478	0	48	0.0	-67.71	376.78	3.96	-63.75
C[N@H+](CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21)[C@@H]1CCC[C@H]1O	REAL300030634541	0	50	0.0	-67.03	392.33	0.98	-66.05
C[N@@H+](CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21)[C@@H]1CCC[C@H]1O	REAL300030634541	1	50	0.0	-70.56	392.85	0.79	-69.77
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3C[NH+](C4CCOCC4)C3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030634550	0	51	0.0	-79.93	405.11	2.56	-77.37
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030634567	0	43	0.0	-67.79	342.14	2.36	-65.43
C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030634567	1	43	0.0	-70.32	340.39	2.07	-68.25
CCN1CCOCC1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030634607	0	50	0.0	-76.35	387.96	1.95	-74.40
CC[N@@H+]1CCOCC1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030634607	1	50	0.0	-74.70	383.50	1.79	-72.91
CC[N@H+]1CCOCC1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030634607	1	50	0.0	-74.70	383.50	1.79	-72.91
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)NC4=C3CCC[NH2+]4)[C@H]21)C1=CC(=O)[N-]O1	REAL300030634614	0	47	0.0	-93.40	388.89	0.99	-92.41
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3C[NH+](C4CCCCC4)C3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030634637	0	53	0.0	-77.88	413.91	4.91	-72.97
NC1=NC2=CC(C(=O)N3CC[C@@H]4[C@@H](NC(=O)C5=CC(=O)[N-]O5)[C@@H]43)=CC=C2N1	REAL300030634718	0	43	0.0	-74.05	360.77	2.34	-71.71
NC1=[NH+]C2=CC(C(=O)N3CC[C@@H]4[C@@H](NC(=O)C5=CC(=O)[N-]O5)[C@@H]43)=CC=C2N1	REAL300030634718	1	43	0.0	-74.05	360.77	2.34	-71.71
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030634771	0	46	0.0	-74.65	368.85	3.16	-71.49
CC1CCCC(C)[NH+]1CCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030634786	0	55	0.0	-71.88	411.94	4.69	-67.19
C[NH+](C)C1CCC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)CC1	REAL300030634789	0	52	0.0	-78.25	398.68	4.16	-74.09
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)CC1	REAL300030634793	0	52	0.0	-64.50	387.85	3.86	-60.64
C[N@@H+]1CC=CCC1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030634794	0	47	0.0	-76.12	370.99	3.54	-72.58
C[N@H+]1CC=CCC1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030634794	1	47	0.0	-77.37	373.23	3.69	-73.68
CC1=CC(C=CC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)=C[NH+]=C1N	REAL300030634865	1	46	0.0	-80.10	385.81	2.53	-77.57
C[NH+](C)CCOCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030634881	0	46	0.0	-74.68	377.63	2.72	-71.96
CCCCC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030634889	0	54	0.0	-76.90	426.71	5.13	-71.77
CCCCC[N@@H+](C)CCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030634889	1	54	0.0	-76.91	426.32	5.11	-71.80
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)O1	REAL300030634903	0	50	0.0	-73.09	396.30	3.36	-69.73
[NH2+]=C1SC=CN1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030634930	0	39	0.0	-66.14	346.80	1.66	-64.48
C[C@@H](OCC[NH+](C)C)C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030635029	0	49	0.0	-71.07	391.37	3.05	-68.02
C[NH+]1CCC(O)(C2(C(=O)N3CC[C@@H]4[C@@H](NC(=O)C5=CC(=O)[N-]O5)[C@@H]43)CC2)CC1	REAL300030635033	0	54	0.0	-76.78	412.82	2.37	-74.41
O=C(CC[NH+]1CCCCCC1)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030635109	0	52	0.0	-76.41	396.19	4.22	-72.19
C[N@@H+]1CCCC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030635117	0	46	0.0	-74.19	362.35	2.93	-71.26
C[N@H+]1CCCC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030635117	1	46	0.0	-74.19	362.35	2.93	-71.26
O=C(C[NH+]1CCCCCC1)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030635125	0	49	0.0	-70.76	370.44	3.47	-67.29
CN1C=C[N+](CC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)=C1	REAL300030635132	0	41	0.0	-69.36	350.70	4.95	-64.41
CN(C)CC1=CC=C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)O1	REAL300030635153	0	46	0.0	-86.42	382.35	3.33	-83.09
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)O1	REAL300030635153	1	46	0.0	-86.42	382.35	3.33	-83.09
O=C(CN1CCC(O)CC1)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030635178	0	47	0.0	-77.79	374.57	0.10	-77.69
O=C(C[NH+]1CCC(O)CC1)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030635178	1	47	0.0	-77.79	374.57	0.10	-77.69
C[N@H+](CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21)C1CC1	REAL300030635186	0	43	0.0	-69.77	351.13	2.98	-66.79
CC(C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21)N1CCN(C)CC1	REAL300030635188	0	51	0.0	-73.17	391.37	1.23	-71.94
CC(C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21)N1CC[NH+](C)CC1	REAL300030635188	1	51	0.0	-73.17	391.37	1.23	-71.94
O=C(CC[N@H+]1CCC(F)C1)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030635196	0	46	0.0	-78.49	373.82	3.27	-75.22
C[NH+](C)CCC1=CC=CC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)=C1	REAL300030635230	0	52	0.0	-78.82	420.10	5.53	-73.29
CC(CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21)C[NH+](C)C	REAL300030635236	0	48	0.0	-76.37	379.03	3.62	-72.75
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3CC[N@@H+]4CCOCC34)[C@H]21)C1=CC(=O)[N-]O1	REAL300030635261	0	48	0.0	-78.32	376.77	1.71	-76.61
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3CC[N@H+]4CCOCC34)[C@H]21)C1=CC(=O)[N-]O1	REAL300030635261	1	48	0.0	-78.32	376.77	1.71	-76.61
CN1CCOCC1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030635294	0	47	0.0	-81.51	372.13	1.42	-80.09
C[N@@H+]1CCOCC1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030635294	1	47	0.0	-78.41	369.78	1.29	-77.12
C[N@H+]1CCOCC1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030635294	1	47	0.0	-78.41	369.78	1.29	-77.12
C[NH+](C)CC(C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21)C1=CC=CC=C1	REAL300030635303	0	52	0.0	-75.30	418.35	5.53	-69.77
CC1=CC(N)=NC=C1C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030635374	0	42	0.0	-79.08	351.20	0.78	-78.30
CC1=CC(N)=[NH+]C=C1C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030635374	1	42	0.0	-79.08	351.20	0.78	-78.30
CC1(O)CC[N@H+](CC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030635438	0	47	0.0	-70.11	375.50	-0.13	-70.24
C[NH+](C)CCN1N=CC=C1C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030635448	0	49	0.0	-68.66	394.02	2.64	-66.02
C[NH+]1CC(CC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030635484	0	43	0.0	-72.35	351.04	2.30	-70.05
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3CC[N@@H+]3C3CCCC3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030635490	0	50	0.0	-69.61	384.08	3.87	-65.74
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3CC[N@H+]3C3CCCC3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030635490	1	50	0.0	-69.61	384.08	3.87	-65.74
C[N@H+](CCO)CCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030635545	0	46	0.0	-74.24	372.55	-0.43	-74.67
C[N@@H+](CCO)CCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030635545	1	46	0.0	-74.24	372.55	-0.43	-74.67
C[N@@H+]1CCCCC1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030635568	0	49	0.0	-74.58	378.48	3.66	-70.92
C[N@H+]1CCCCC1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030635568	1	49	0.0	-74.58	378.48	3.66	-70.92
CC1=C2C=C(C(=O)N3CC[C@@H]4[C@@H](NC(=O)C5=CC(=O)[N-]O5)[C@@H]43)C=CN2C=N1	REAL300030635596	0	44	0.0	-57.35	368.84	5.14	-52.21
CC1=C2C=C(C(=O)N3CC[C@@H]4[C@@H](NC(=O)C5=CC(=O)[N-]O5)[C@@H]43)C=CN2C=[NH+]1	REAL300030635596	1	44	0.0	-57.35	368.84	5.14	-52.21
CC1CCN1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030635602	0	43	0.0	-70.19	347.76	2.38	-67.81
CC1CC[N@@H+]1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030635602	1	43	0.0	-69.61	351.05	2.59	-67.02
CC1CC[N@H+]1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030635602	1	43	0.0	-69.61	351.05	2.59	-67.02
C[NH+](C)CC=CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030635618	0	43	0.0	-79.54	357.90	2.80	-76.74
CC1(C)CN(CC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030635635	0	46	0.0	-73.01	372.09	3.14	-69.87
CC1(C)C[NH+](CC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C1	REAL300030635635	1	46	0.0	-73.01	372.09	3.14	-69.87
O=C(CCCC[NH+]1CCCCC1)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030635650	0	55	0.0	-73.57	426.49	5.49	-68.08
CC1=C(C)NC(CCC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)=N1	REAL300030635665	0	47	0.0	-67.36	389.70	2.75	-64.61
CC1=C(C)[NH+]=C(CCC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)N1	REAL300030635665	1	47	0.0	-67.36	389.70	2.75	-64.61
CN1CCC2=C(C1)SC(C(=O)N1CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]31)=C2	REAL300030635666	0	47	0.0	-61.68	391.33	4.23	-57.45
C[N@@H+]1CCC2=C(C1)SC(C(=O)N1CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]31)=C2	REAL300030635666	1	47	0.0	-69.67	388.52	4.05	-65.62
C[N@H+]1CCC2=C(C1)SC(C(=O)N1CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]31)=C2	REAL300030635666	1	47	0.0	-69.67	388.52	4.05	-65.62
C[NH+]1CCC(C2(C(=O)N3CC[C@@H]4[C@@H](NC(=O)C5=CC(=O)[N-]O5)[C@@H]43)CC2)CC1	REAL300030635677	0	53	0.0	-80.28	409.22	4.92	-75.36
CC1=C2C=C(C(=O)N3CC[C@@H]4[C@@H](NC(=O)C5=CC(=O)[N-]O5)[C@@H]43)C=CN2C=N1	REAL300030635687	0	44	0.0	-57.35	368.84	5.14	-52.21
CC1=C2C=C(C(=O)N3CC[C@@H]4[C@@H](NC(=O)C5=CC(=O)[N-]O5)[C@@H]43)C=CN2C=[NH+]1	REAL300030635687	1	44	0.0	-57.35	368.84	5.14	-52.21
C[NH+](C)CCSCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030635701	0	46	0.0	-81.79	388.66	3.56	-78.23
CC(C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21)[N@H+](C)CC1=CC=CC=C1	REAL300030635721	0	52	0.0	-73.10	412.96	5.41	-67.69
NC1=NC2=C(C=C1C(=O)N1CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]31)CCCC2	REAL300030635725	0	49	0.0	-64.93	392.42	2.89	-62.04
NC1=[NH+]C2=C(C=C1C(=O)N1CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]31)CCCC2	REAL300030635725	1	49	0.0	-64.93	392.42	2.89	-62.04
O=C(C[N@H+]1CCCC1CO)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030635733	0	47	0.0	-71.81	374.91	0.17	-71.64
CC[NH+](CC)CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030635736	0	45	0.0	-71.02	358.49	2.94	-68.08
C[N@H+](CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21)C1CCSC1	REAL300030635753	0	47	0.0	-76.80	379.03	3.70	-73.10
O=C(CN1CCC1)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030635755	0	40	0.0	-72.94	332.03	2.05	-70.89
O=C(C[NH+]1CCC1)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030635755	1	40	0.0	-72.94	332.03	2.05	-70.89
CC[NH+](CC)CCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030635805	0	48	0.0	-74.80	375.35	3.27	-71.53
C[NH+](C)CC1=CNC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)=C1	REAL300030635879	0	47	0.0	-81.76	383.38	3.09	-78.67
CC(C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21)[NH+]1CCC(O)CC1	REAL300030635900	0	50	0.0	-72.90	391.46	0.43	-72.47
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3CC4COCC[N@@H+]4C3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030635907	0	48	0.0	-73.86	374.95	1.64	-72.22
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3CC4COCC[N@H+]4C3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030635907	1	48	0.0	-71.67	374.11	1.68	-69.99
CC(C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21)[NH+]1CCC1	REAL300030635925	1	43	0.0	-68.06	347.65	2.33	-65.73
CCC(CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21)C[NH+](C)C	REAL300030635938	0	51	0.0	-74.16	390.49	3.96	-70.20
NC1=CC=C(C=CC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C=[NH+]1	REAL300030635945	0	43	0.0	-75.49	365.74	1.66	-73.83
C[NH+](C)C(CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21)C1=CC=CC=C1	REAL300030635984	0	52	0.0	-79.74	412.25	5.63	-74.11
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030636020	0	46	0.0	-70.07	348.67	2.53	-67.54
C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030636020	1	46	0.0	-68.48	360.18	3.04	-65.44
CC1CN2CC[N@@H+]1CC2C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030636035	0	49	0.0	-73.23	369.54	0.13	-73.10
CC1CN2CC[N@H+]1CC2C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030636035	1	49	0.0	-78.50	368.58	0.09	-78.41
C[NH+](C)CC(O)CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030636065	0	46	0.0	-79.32	374.25	0.66	-78.66
C[NH+]1C2CCC1CC(C(=O)N1CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]31)C2	REAL300030636068	0	50	0.0	-67.95	356.42	3.50	-64.45
C#CC1(O)CC[NH+](C(C)C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)CC1	REAL300030636108	0	52	0.0	-70.89	411.76	1.27	-69.62
C=CCC(C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21)[NH+](C)C	REAL300030636120	0	46	0.0	-72.83	365.64	3.11	-69.72
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3CC4CCCC[N@@H+]4C3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030636133	0	50	0.0	-74.57	383.83	4.07	-70.50
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3CC4CCCC[N@H+]4C3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030636133	1	50	0.0	-75.85	382.93	3.96	-71.89
C[NH+]1CCC(O)(CC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)CC1	REAL300030636152	0	50	0.0	-76.52	392.55	1.96	-74.56
COCC[N@@H+]1CCCC1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030636170	0	53	0.0	-72.20	408.64	2.80	-69.40
COCC[N@H+]1CCCC1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030636170	1	53	0.0	-71.28	419.88	3.03	-68.25
C[NH+]1C2CCC1CC(CC(=O)N1CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]31)C2	REAL300030636180	0	53	0.0	-75.91	385.77	3.95	-71.96
C[NH+](C)CCN1N=CC=C1C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030636214	0	49	0.0	-70.04	396.31	2.80	-67.24
C[N@@H+]1CCC2=C(C1)SC(C(=O)N[C@@H]1[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]31)=C2	REAL300030636250	1	47	0.0	-82.73	390.44	4.41	-78.32
C[N@H+]1CCC2=C(C1)SC(C(=O)N[C@@H]1[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]31)=C2	REAL300030636250	1	47	0.0	-83.07	390.38	4.40	-78.67
C[NH+]1CCC(C2(C(=O)N[C@@H]3[C@H]4CCN(C(=O)C5=CC(=O)[N-]O5)[C@H]43)CC2)CC1	REAL300030636259	0	53	0.0	-78.48	405.01	4.94	-73.54
CC1=C2C=C(C(=O)N[C@@H]3[C@H]4CCN(C(=O)C5=CC(=O)[N-]O5)[C@H]43)C=CN2C=[NH+]1	REAL300030636271	1	44	0.0	-77.88	368.62	5.42	-72.46
C[NH+](C)CCSCC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030636284	0	46	0.0	-83.01	385.42	3.40	-79.61
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1CC2COCC[N@@H+]2C1	REAL300030636294	0	48	0.0	-75.78	375.27	1.68	-74.10
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1CC2COCC[N@H+]2C1	REAL300030636294	1	48	0.0	-73.62	374.69	1.70	-71.92
C[NH+](C)CC(=O)NC12CC(CO)(C1)OC21CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030636328	0	54	0.0	-72.61	408.38	-1.28	-73.89
C[NH+](C)CC(=O)N1CCC2(CC1)OC1(CO)CC2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030636410	0	54	0.0	-68.91	411.17	-1.16	-70.07
CN1N=C(CNC(=O)C2CCC[N@@H+]2C)C2=C1CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030636545	0	52	0.0	-54.95	411.42	2.78	-52.17
CN1N=C(CNC(=O)C2CCC[N@H+]2C)C2=C1CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030636545	1	52	0.0	-66.01	410.29	2.59	-63.42
CC1=[NH+]C=CN1CC(=O)NCC1=NN(C)C2=C1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030636646	1	50	0.0	-64.97	414.50	3.34	-61.63
CC1=C[NH+]=CN1CC(=O)NCC1=NN(C)C2=C1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030636705	1	50	0.0	-69.66	413.78	4.03	-65.63
CCC(C(=O)NCC1=NN(C)C2=C1CN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300030636714	0	54	0.0	-69.15	418.46	2.80	-66.35
CCC[N@H+](C)CC(=O)NCC1=NN(C)C2=C1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030636723	0	54	0.0	-69.07	423.90	3.05	-66.02
CCC[N@@H+](C)CC(=O)NCC1=NN(C)C2=C1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030636723	1	54	0.0	-68.64	424.30	3.14	-65.50
CN1N=C(CNC(=O)[C@H]2CCC[N@@H+]2C)C2=C1CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030636733	0	52	0.0	-65.65	411.44	2.79	-62.86
CN1N=C(CNC(=O)[C@H]2CCC[N@H+]2C)C2=C1CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030636733	1	52	0.0	-66.99	404.69	2.17	-64.82
CC[NH+](CC)CC(=O)NCC1=NN(C)C2=C1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030636743	0	54	0.0	-67.67	415.40	2.69	-64.98
CC[N@H+](C)CCC(=O)NCC1=NN(C)C2=C1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030636816	0	54	0.0	-72.62	424.77	2.86	-69.76
CC[N@@H+](C)CCC(=O)NCC1=NN(C)C2=C1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030636816	1	54	0.0	-72.02	425.16	2.95	-69.07
CC[C@@H](C(=O)NCC1=NN(C)C2=C1CN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300030636821	0	54	0.0	-64.72	413.19	2.81	-61.91
CN1N=C(CNC(=O)C[NH+](C)C)C2=C1CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030636845	0	48	0.0	-69.17	385.07	1.73	-67.44
CC(C(=O)NCC1=NN(C)C2=C1CN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+]1CCC1	REAL300030636851	1	52	0.0	-67.46	412.83	2.68	-64.78
CN1N=C(CNC(=O)C[N@H+](C)C2CC2)C2=C1CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030636859	0	52	0.0	-65.79	414.33	3.13	-62.66
CN1N=C(CNC(=O)C[N@@H+](C)C2CC2)C2=C1CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030636859	1	52	0.0	-65.30	414.33	3.13	-62.17
CN1N=C(CNC(=O)CC2C[NH+](C)C2)C2=C1CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030636867	0	52	0.0	-73.37	416.12	2.47	-70.90
C[C@@H](C(=O)NCC1=NN(C)C2=C1CN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300030636876	0	51	0.0	-67.82	402.80	2.14	-65.68
C[C@@H](C(=O)NCC1=NN(C)C2=C1CN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300030636906	0	51	0.0	-67.82	402.80	2.14	-65.68
C[C@H](C(=O)NCC1=NN(C)C2=C1CN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300030636941	0	51	0.0	-66.27	402.48	2.14	-64.13
CC1C[NH+](CC(=O)NCC2=NN(C)C3=C2CN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030636950	1	52	0.0	-70.33	414.75	2.80	-67.53
CN1N=C(CNC(=O)C[N@H+](C)CCO)C2=C1CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030636961	1	52	0.0	-70.12	413.15	-0.84	-70.96
CN1N=C(CNC(=O)C[N@@H+](C)CCO)C2=C1CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030636961	1	52	0.0	-69.48	412.76	-0.94	-70.42
CC[N@H+](C)CC(=O)NCC1=NN(C)C2=C1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030636970	0	51	0.0	-68.31	402.80	2.40	-65.91
CC[N@@H+](C)CC(=O)NCC1=NN(C)C2=C1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030636970	1	51	0.0	-68.97	402.40	2.31	-66.66
CN1N=C(CNC(=O)C=CC[NH+](C)C)C2=C1CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030636993	0	52	0.0	-76.99	421.03	2.94	-74.05
CC[N@@H+]1CCC1C(=O)NCC1=NN(C)C2=C1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030637001	1	52	0.0	-68.56	416.72	2.71	-65.85
CC[N@H+]1CCC1C(=O)NCC1=NN(C)C2=C1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030637001	1	52	0.0	-52.29	416.23	2.66	-49.63
CN1N=C(CNC(=O)C(C)(C)[NH+](C)C)C2=C1CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030637021	0	54	0.0	-72.32	412.14	2.80	-69.52
CN1N=C(CNC(=O)C2([NH+](C)C)CC2)C2=C1CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030637052	0	52	0.0	-71.89	412.02	2.27	-69.62
CC(C[NH+](C)C)C(=O)NCC1=NN(C)C2=C1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030637083	0	54	0.0	-72.46	423.47	3.00	-69.46
CC1CC[N@@H+]1CC(=O)NCC1=NN(C)C2=C1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030637096	1	52	0.0	-66.32	411.59	2.58	-63.74
CC1CC[N@H+]1CC(=O)NCC1=NN(C)C2=C1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030637096	1	52	0.0	-68.13	416.37	2.80	-65.33
CN1N=C(CNC(=O)CSC(N)=[NH2+])C2=C1CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030637128	0	46	0.0	-72.69	392.98	-1.32	-74.01
CN1N=C(CNC(=O)[C@@H]2CCC[N@@H+]2C)C2=C1CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030637169	0	52	0.0	-46.26	405.43	2.21	-44.05
CN1N=C(CNC(=O)[C@@H]2CCC[N@H+]2C)C2=C1CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030637169	1	52	0.0	-51.93	410.90	2.82	-49.11
CN1N=C(CNC(=O)C2=CC(=O)[N-]O2)C2=C1CCN(C(=O)C1CCC[N@@H+]1C)C2	REAL300030637313	0	52	0.0	-78.73	406.59	2.32	-76.41
CN1N=C(CNC(=O)C2=CC(=O)[N-]O2)C2=C1CCN(C(=O)C1CCC[N@H+]1C)C2	REAL300030637313	1	52	0.0	-76.59	407.52	2.55	-74.04
CCC(C(=O)N1CCC2=C(C1)C(CNC(=O)C1=CC(=O)[N-]O1)=NN2C)[NH+](C)C	REAL300030637428	0	54	0.0	-78.02	414.45	2.66	-75.36
CCC[N@H+](C)CC(=O)N1CCC2=C(C1)C(CNC(=O)C1=CC(=O)[N-]O1)=NN2C	REAL300030637434	0	54	0.0	-80.58	427.03	3.18	-77.40
CCC[N@@H+](C)CC(=O)N1CCC2=C(C1)C(CNC(=O)C1=CC(=O)[N-]O1)=NN2C	REAL300030637434	1	54	0.0	-80.57	427.10	3.22	-77.35
CC[N@H+](C)CCC(=O)N1CCC2=C(C1)C(CNC(=O)C1=CC(=O)[N-]O1)=NN2C	REAL300030637458	0	54	0.0	-82.84	427.91	3.06	-79.78
CC[N@@H+](C)CCC(=O)N1CCC2=C(C1)C(CNC(=O)C1=CC(=O)[N-]O1)=NN2C	REAL300030637458	1	54	0.0	-83.01	427.92	3.08	-79.93
CC[C@@H](C(=O)N1CCC2=C(C1)C(CNC(=O)C1=CC(=O)[N-]O1)=NN2C)[NH+](C)C	REAL300030637519	0	54	0.0	-78.08	416.16	2.76	-75.32
CC1=[NH+]C=CN1CC(=O)N1CCC2=C(C1)C(CNC(=O)C1=CC(=O)[N-]O1)=NN2C	REAL300030637546	1	50	0.0	-76.48	416.25	3.38	-73.10
CC1=C[NH+]=CN1CC(=O)N1CCC2=C(C1)C(CNC(=O)C1=CC(=O)[N-]O1)=NN2C	REAL300030637560	1	50	0.0	-78.45	417.57	4.13	-74.32
CN1N=C(CNC(=O)C2=CC(=O)[N-]O2)C2=C1CCN(C(=O)[C@H]1CCC[N@@H+]1C)C2	REAL300030637591	0	52	0.0	-76.97	411.11	2.70	-74.27
CN1N=C(CNC(=O)C2=CC(=O)[N-]O2)C2=C1CCN(C(=O)[C@H]1CCC[N@H+]1C)C2	REAL300030637591	1	52	0.0	-79.19	406.50	2.32	-76.87
C[C@@H](C(=O)N1CCC2=C(C1)C(CNC(=O)C1=CC(=O)[N-]O1)=NN2C)[NH+](C)C	REAL300030637675	0	51	0.0	-77.82	401.85	2.08	-75.74
CN1N=C(CNC(=O)C2=CC(=O)[N-]O2)C2=C1CCN(C(=O)C[N@H+](C)CCO)C2	REAL300030637688	1	52	0.0	-81.04	415.95	-0.77	-81.81
CN1N=C(CNC(=O)C2=CC(=O)[N-]O2)C2=C1CCN(C(=O)C[N@@H+](C)CCO)C2	REAL300030637688	1	52	0.0	-81.10	415.69	-0.74	-81.84
CC1C[NH+](CC(=O)N2CCC3=C(C2)C(CNC(=O)C2=CC(=O)[N-]O2)=NN3C)C1	REAL300030637714	1	52	0.0	-80.76	419.11	2.87	-77.89
CC[N@H+](C)CC(=O)N1CCC2=C(C1)C(CNC(=O)C1=CC(=O)[N-]O1)=NN2C	REAL300030637735	0	51	0.0	-80.19	405.58	2.48	-77.71
CC[N@@H+](C)CC(=O)N1CCC2=C(C1)C(CNC(=O)C1=CC(=O)[N-]O1)=NN2C	REAL300030637735	1	51	0.0	-80.25	405.54	2.45	-77.80
CC(C[NH+](C)C)C(=O)N1CCC2=C(C1)C(CNC(=O)C1=CC(=O)[N-]O1)=NN2C	REAL300030637782	0	54	0.0	-69.79	425.59	2.91	-66.88
CN1N=C(CNC(=O)C2=CC(=O)[N-]O2)C2=C1CCN(C(=O)C1([NH+](C)C)CC1)C2	REAL300030637785	0	52	0.0	-83.50	407.90	2.20	-81.30
C[C@H](C(=O)N1CCC2=C(C1)C(CNC(=O)C1=CC(=O)[N-]O1)=NN2C)[NH+](C)C	REAL300030637791	0	51	0.0	-78.57	404.27	2.15	-76.42
CC[N@@H+]1CCC1C(=O)N1CCC2=C(C1)C(CNC(=O)C1=CC(=O)[N-]O1)=NN2C	REAL300030637794	1	52	0.0	-77.67	411.84	2.50	-75.17
CC[N@H+]1CCC1C(=O)N1CCC2=C(C1)C(CNC(=O)C1=CC(=O)[N-]O1)=NN2C	REAL300030637794	1	52	0.0	-79.76	419.19	2.79	-76.97
CN1N=C(CNC(=O)C2=CC(=O)[N-]O2)C2=C1CCN(C(=O)C1=C[NH+]=CC=C1N)C2	REAL300030637802	0	48	0.0	-82.32	396.82	-0.32	-82.64
CN1N=C(CNC(=O)C2=CC(=O)[N-]O2)C2=C1CCN(C(=O)C(C)(C)[NH+](C)C)C2	REAL300030637807	0	54	0.0	-64.82	408.32	2.67	-62.15
CN1N=C(CNC(=O)C2=CC(=O)[N-]O2)C2=C1CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2	REAL300030637890	0	52	0.0	-78.50	406.41	2.32	-76.18
CN1N=C(CNC(=O)C2=CC(=O)[N-]O2)C2=C1CCN(C(=O)[C@@H]1CCC[N@H+]1C)C2	REAL300030637890	1	52	0.0	-75.77	409.03	2.59	-73.18
CN1N=C(CNC(=O)C2=CC(=O)[N-]O2)C2=C1CCN(C(=O)C[N@H+](C)C1CC1)C2	REAL300030637947	0	52	0.0	-77.76	417.22	3.19	-74.57
CN1N=C(CNC(=O)C2=CC(=O)[N-]O2)C2=C1CCN(C(=O)C[N@@H+](C)C1CC1)C2	REAL300030637947	1	52	0.0	-76.08	417.04	3.18	-72.90
CN1N=C(CNC(=O)C2=CC(=O)[N-]O2)C2=C1CCN(C(=O)CC1C[NH+](C)C1)C2	REAL300030637983	0	52	0.0	-81.41	419.05	2.66	-78.75
CN1N=C(CNC(=O)C2=CC(=O)[N-]O2)C2=C1CCN(C(=O)C[NH+](C)C)C2	REAL300030637988	0	48	0.0	-80.83	387.82	1.78	-79.05
C[C@@H](C(=O)N1CCC2=C(C1)C(CNC(=O)C1=CC(=O)[N-]O1)=NN2C)[NH+](C)C	REAL300030637993	0	51	0.0	-77.82	401.85	2.08	-75.74
CC1CC[N@@H+]1CC(=O)N1CCC2=C(C1)C(CNC(=O)C1=CC(=O)[N-]O1)=NN2C	REAL300030638004	1	52	0.0	-78.85	419.83	2.88	-75.97
CC1CC[N@H+]1CC(=O)N1CCC2=C(C1)C(CNC(=O)C1=CC(=O)[N-]O1)=NN2C	REAL300030638004	1	52	0.0	-77.88	414.97	2.72	-75.16
CN1N=C(CNC(=O)C2=CC(=O)[N-]O2)C2=C1CCN(C(=O)C=CC[NH+](C)C)C2	REAL300030638005	0	52	0.0	-72.71	424.11	3.06	-69.65
CC[NH+](CC)CC(=O)N1CCC2=C(C1)C(CNC(=O)C1=CC(=O)[N-]O1)=NN2C	REAL300030638016	0	54	0.0	-78.57	419.41	2.85	-75.72
CN1N=C(CNC(=O)C2=CC(=O)[N-]O2)C2=C1CCN(C(=O)C[NH+]1CCC1)C2	REAL300030638019	1	49	0.0	-80.86	398.11	2.25	-78.61
CC(C(=O)N1CCC2=C(C1)C(CNC(=O)C1=CC(=O)[N-]O1)=NN2C)[NH+]1CCC1	REAL300030638047	1	52	0.0	-78.93	408.35	2.35	-76.58
C[N@@H+]1CCCC1C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030638259	0	50	0.0	-76.53	372.05	3.87	-72.66
C[N@H+]1CCCC1C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030638259	1	50	0.0	-79.65	371.98	3.86	-75.79
CC(C)[N@@H+]1CCCC1C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030638438	0	56	0.0	-73.01	410.42	5.35	-67.66
CC(C)[N@H+]1CCCC1C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030638438	1	56	0.0	-78.45	400.97	5.42	-73.03
CC(C)C1=[NH+]C=CN1CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030638460	1	54	0.0	-72.93	417.32	6.08	-66.85
CC1=[NH+]C=CN1CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030638472	1	48	0.0	-73.67	381.00	4.97	-68.70
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCC1CC2	REAL300030638501	0	54	0.0	-84.56	392.78	5.12	-79.44
C[C@@H]1[C@H](C(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030638535	0	53	0.0	-84.45	388.24	4.32	-80.13
C[C@@H]1[C@H](C(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030638535	1	53	0.0	-80.86	394.31	4.84	-76.02
CC[C@@H]1[C@@H](C(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030638537	0	56	0.0	-81.10	408.67	5.00	-76.10
CC[C@@H]1[C@@H](C(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030638537	1	56	0.0	-80.26	417.34	5.56	-74.70
CC[N@@H+]1CCOC(C(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030638544	1	54	0.0	-86.57	399.59	4.17	-82.40
CC[N@H+]1CCOC(C(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030638544	1	54	0.0	-80.50	400.58	4.11	-76.39
CC[NH+](CC)CC(F)C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030638571	0	55	0.0	-79.99	409.15	4.95	-75.04
CC1CCC(C)[NH+]1CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030638608	0	56	0.0	-77.60	399.10	4.95	-72.65
O=C(CCC[NH+]1CCCC1)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030638612	0	56	0.0	-78.63	421.75	5.85	-72.78
C#CC[NH+]1CCC(C(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030638614	0	55	0.0	-84.39	421.39	6.19	-78.20
O=C(CC[NH+]1CCCCC1)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030638615	0	56	0.0	-79.39	415.46	5.76	-73.63
C[N@H+](CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030638656	0	53	0.0	-75.87	397.75	5.33	-70.54
C[N@@H+](CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030638656	1	53	0.0	-76.60	397.66	5.35	-71.25
C[N@@H+]1CCCC1CCC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030638732	0	56	0.0	-83.77	419.53	5.85	-77.92
C[N@H+]1CCCC1CCC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030638732	1	56	0.0	-82.76	415.68	5.69	-77.07
C[NH+]1CCC(C(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030638755	0	53	0.0	-83.81	396.88	5.00	-78.81
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)C1=CN2C=[NH+]C=C2C=C1	REAL300030638848	0	48	0.0	-79.15	382.22	6.80	-72.35
CC1=[NH+]C=CN1CCCC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030638853	1	54	0.0	-75.35	422.58	6.25	-69.10
O=C(CC[NH+]1CCOCC1)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030638856	1	54	0.0	-83.04	406.90	3.34	-79.70
CC1=C[NH+]=CN1CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030638869	1	48	0.0	-77.77	381.40	5.69	-72.08
C[N@@H+]1CCC(CC(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030638901	0	53	0.0	-81.96	398.19	4.93	-77.03
C[N@H+]1CCC(CC(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030638901	1	53	0.0	-80.03	398.33	4.94	-75.09
CCC(C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030638911	0	52	0.0	-75.89	382.70	4.34	-71.55
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)C1=CC2=C[NH+]=CN2C=C1	REAL300030638937	1	48	0.0	-85.43	382.63	6.85	-78.58
C[NH+](C)CCCCC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030638968	0	55	0.0	-80.81	417.24	5.47	-75.34
CCC[N@H+](C)CCC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030638983	0	55	0.0	-81.16	413.47	5.28	-75.88
CCC[N@@H+](C)CCC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030638983	1	55	0.0	-80.97	413.25	5.29	-75.68
CCC[N@H+](C)CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030638986	0	52	0.0	-78.57	390.79	4.77	-73.80
CCC[N@@H+](C)CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030638986	1	52	0.0	-78.65	390.79	4.76	-73.89
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)C12CC[N@H+](C1)CCC2	REAL300030639000	0	54	0.0	-87.75	393.57	4.58	-83.17
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)C12CC[N@@H+](C1)CCC2	REAL300030639000	1	54	0.0	-80.23	393.25	4.54	-75.69
C[N@@H+]1CCC[C@@H]1C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639024	0	50	0.0	-76.17	371.63	3.88	-72.29
C[N@H+]1CCC[C@@H]1C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639024	1	50	0.0	-74.63	377.54	4.40	-70.23
CC[NH+](CC)CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639060	0	52	0.0	-77.00	383.77	4.39	-72.61
CC1CC[NH+](CC(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030639115	0	56	0.0	-79.91	414.61	5.81	-74.10
C[NH+](C)CC1(C(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030639137	0	53	0.0	-78.72	403.15	5.11	-73.61
C[NH+]1CCC(C(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030639190	0	53	0.0	-83.81	396.88	5.00	-78.81
CCC(C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300030639219	0	58	0.0	-71.73	417.85	5.66	-66.07
CC[N@H+](C)CCC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639259	0	52	0.0	-80.20	391.66	4.54	-75.66
CC[N@@H+](C)CCC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639259	1	52	0.0	-80.09	391.75	4.55	-75.54
CC1CCC[N@@H+]1CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639288	0	53	0.0	-74.82	389.90	4.71	-70.11
CC1CCC[N@H+]1CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639288	1	53	0.0	-75.87	396.27	5.04	-70.83
CC1CC[N@H+](CC(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030639290	0	53	0.0	-77.73	397.05	5.01	-72.72
CC1CC[N@@H+](CC(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030639290	1	53	0.0	-78.37	396.91	5.08	-73.29
CC1(C)CC[N@H+](CC(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030639293	0	56	0.0	-78.29	416.80	5.57	-72.72
CC1(C)CC[N@@H+](CC(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030639293	1	56	0.0	-77.91	416.28	5.59	-72.32
C[N@H+](CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030639294	0	58	0.0	-78.60	421.51	5.82	-72.78
C[N@@H+](CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030639294	1	58	0.0	-78.70	421.35	5.89	-72.81
CC[C@@H](C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030639301	0	52	0.0	-77.99	385.65	4.48	-73.51
C[NH+](C)CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639401	0	46	0.0	-78.77	351.57	3.36	-75.41
O=C(C[NH+]1CCCCCC1)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639404	0	56	0.0	-77.67	402.70	5.40	-72.27
CN1C=C[N+](CC(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300030639407	0	48	0.0	-75.07	382.86	6.86	-68.21
C[N@@H+]1CCCC(C(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030639412	0	53	0.0	-69.05	389.54	5.14	-63.91
C[N@H+]1CCCC(C(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030639412	1	53	0.0	-71.09	389.87	5.13	-65.96
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@@H+]1C1CC1	REAL300030639416	0	54	0.0	-73.48	409.60	5.85	-67.63
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@H+]1C1CC1	REAL300030639416	1	54	0.0	-76.27	402.37	5.17	-71.10
CC(C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030639430	1	50	0.0	-75.13	379.82	4.34	-70.79
CCC(CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030639434	0	58	0.0	-86.91	427.12	5.92	-80.99
O=C(C[NH+]1CCC(O)CC1)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639452	1	54	0.0	-83.28	404.46	1.85	-81.43
C[N@H+](CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030639453	0	50	0.0	-75.12	380.74	4.74	-70.38
C[N@@H+](CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030639453	1	50	0.0	-76.16	380.89	4.73	-71.43
C[NH+]1CC(CC(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030639466	0	50	0.0	-79.56	383.05	4.16	-75.40
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639476	0	56	0.0	-75.32	413.50	5.04	-70.28
CC(C)(C)[N@H+]1CCC1C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639476	1	56	0.0	-75.99	397.49	4.48	-71.51
C[C@@H](C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030639487	0	49	0.0	-77.64	370.40	3.72	-73.92
C[NH+](C)CC1=CC=C(C(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)N1	REAL300030639513	0	54	0.0	-94.24	419.03	4.72	-89.52
[NH2+]=C1SC=CN1CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639540	0	46	0.0	-73.58	378.64	3.54	-70.04
C[N@H+](CCO)CCC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639546	0	53	0.0	-79.48	402.10	1.33	-78.15
C[N@@H+](CCO)CCC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639546	1	53	0.0	-79.31	401.99	1.32	-77.99
C[C@@H](C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030639547	0	49	0.0	-77.64	370.40	3.72	-73.92
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639551	0	53	0.0	-74.80	384.30	4.76	-70.04
C[N@H+]1CCCC[C@@H]1C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639551	1	53	0.0	-73.48	393.29	4.95	-68.53
O=C(C[NH+]1CCC1)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639599	1	47	0.0	-78.65	361.55	3.82	-74.83
C[N@@H+]1CCC(=CC(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030639614	0	51	0.0	-81.01	390.44	4.86	-76.15
C[N@H+]1CCC(=CC(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030639614	1	51	0.0	-80.92	389.99	4.89	-76.03
C[NH+](C)CCOCC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639637	0	53	0.0	-76.41	407.44	4.31	-72.10
C=CCC(C)(C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030639652	0	56	0.0	-86.05	406.34	5.55	-80.50
C[S+](C)CCC(O)C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639656	0	52	0.0	-85.11	416.87	2.88	-82.23
CC1CN(CC(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030639691	0	50	0.0	-79.73	381.65	4.51	-75.22
CC1C[NH+](CC(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030639691	1	50	0.0	-79.73	381.65	4.51	-75.22
CN(CCO)CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639708	0	50	0.0	-79.76	379.65	0.78	-78.98
C[N@H+](CCO)CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639708	1	50	0.0	-78.82	379.44	0.78	-78.04
C[N@@H+](CCO)CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639708	1	50	0.0	-78.82	379.44	0.78	-78.04
CC[N@@H+]1CCCC(C(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030639725	0	56	0.0	-71.02	407.47	5.81	-65.21
CC[N@H+]1CCCC(C(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030639725	1	56	0.0	-71.02	407.47	5.81	-65.21
CC(CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030639727	0	55	0.0	-85.69	408.98	5.32	-80.37
CC[N@H+](C)CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639733	0	49	0.0	-78.35	369.30	4.01	-74.34
CC[N@H+](CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030639764	0	53	0.0	-75.93	397.62	5.37	-70.56
CC[NH+](CC)CCC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639774	0	55	0.0	-79.33	409.52	5.26	-74.07
CC1(C)CN(CC(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030639792	0	53	0.0	-78.94	401.80	4.93	-74.01
CC1(C)C[NH+](CC(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030639792	1	53	0.0	-78.94	401.80	4.93	-74.01
CC1(O)CC[N@H+](CC(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030639809	0	54	0.0	-79.83	408.62	1.70	-78.13
C[NH+](C)CC=CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639814	0	50	0.0	-83.31	389.25	4.57	-78.74
CC(OCC[NH+](C)C)C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639825	0	56	0.0	-78.01	427.16	5.02	-72.99
C[NH+](C)CCOCCC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639831	0	56	0.0	-79.22	428.39	4.15	-75.07
COCCN(C)CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639832	0	53	0.0	-78.40	401.69	3.19	-75.21
COCC[N@H+](C)CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639832	1	53	0.0	-80.18	401.90	3.19	-76.99
COCC[N@@H+](C)CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639832	1	53	0.0	-80.18	401.90	3.19	-76.99
CC(CCC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030639852	0	55	0.0	-77.79	408.85	5.07	-72.72
CC[N@@H+]1CCC1C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639858	1	50	0.0	-75.79	376.38	4.06	-71.73
CC[N@H+]1CCC1C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639858	1	50	0.0	-76.97	376.76	3.99	-72.98
O=C(C[N@H+]1CCCC1CO)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639871	0	54	0.0	-78.09	406.98	1.87	-76.22
O=C(C[N@@H+]1CCCC1CO)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639871	1	54	0.0	-78.70	405.09	1.88	-76.82
C[NH+](C)CC1=CNC(C(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300030639895	0	54	0.0	-84.06	417.92	4.66	-79.40
C=CCC(C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030639908	0	53	0.0	-74.31	395.74	4.84	-69.47
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639914	0	56	0.0	-74.46	417.92	5.46	-69.00
C[N@H+]1CC(C)(C)CC1C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639914	1	56	0.0	-79.00	411.32	5.05	-73.95
C[NH+](C)CCCCCC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639916	0	58	0.0	-79.74	438.74	6.25	-73.49
O=C(C[NH+]1CC2CC2C1)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639923	0	51	0.0	-79.14	386.12	5.17	-73.97
CCCC(C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030639942	0	55	0.0	-76.85	403.93	5.10	-71.75
C[N@@H+]1CCCCC1C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639966	0	53	0.0	-74.75	384.27	4.76	-69.99
C[N@H+]1CCCCC1C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639966	1	53	0.0	-76.21	384.81	4.74	-71.47
C[N@H+]1CC=C(CC(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030639990	0	54	0.0	-74.74	410.73	5.64	-69.10
C[N@@H+]1CC=C(CC(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030639990	1	54	0.0	-72.13	411.05	5.64	-66.49
O=C(C=CC[NH+]1CCCC1)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030640027	0	54	0.0	-82.15	414.06	5.74	-76.41
O=C(CC[NH+]1CCCC1)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030640053	0	53	0.0	-79.62	399.79	5.06	-74.56
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCN1CC2	REAL300030640079	0	53	0.0	-85.67	387.91	1.80	-83.87
O=C(C[N@@H+]1CC2CCC1C2)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030640091	0	54	0.0	-76.89	398.59	5.40	-71.49
O=C(C[N@H+]1CC2CCC1C2)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030640091	1	54	0.0	-76.91	398.03	5.44	-71.47
O=C(C=C1C[NH+]2CCC1CC2)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030640121	0	55	0.0	-70.25	408.54	5.72	-64.53
O=C(C[N@@H+]1CC2C=CC1C2)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030640129	1	52	0.0	-77.39	390.94	5.32	-72.07
O=C(C[N@H+]1CC2C=CC1C2)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030640129	1	52	0.0	-74.58	390.63	5.20	-69.38
CC(C[NH+](C)C)C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030640154	0	52	0.0	-79.92	390.70	4.61	-75.31
C[N@@H+]1CCCCC1CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030640201	0	56	0.0	-71.79	403.09	5.41	-66.38
C[N@H+]1CCCCC1CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030640201	1	56	0.0	-68.60	403.93	5.37	-63.23
CC(C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300030640211	1	53	0.0	-75.12	400.77	4.95	-70.17
CC1CC[N@@H+]1CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030640213	1	50	0.0	-75.98	377.98	4.15	-71.83
CC1CC[N@H+]1CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030640213	1	50	0.0	-75.99	377.71	4.23	-71.76
C[NH+](C)CC(O)CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030640215	0	53	0.0	-83.89	404.49	2.30	-81.59
CC1C[N@H+](C)CC(C(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030640231	1	54	0.0	-93.06	402.69	3.98	-89.08
CC1C[N@@H+](C)CC(C(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030640231	1	54	0.0	-95.95	403.50	3.98	-91.97
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030640282	0	53	0.0	-80.29	401.68	5.07	-75.22
CC(CC[NH+](C)C)C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030640288	0	55	0.0	-79.15	412.33	5.23	-73.92
C#CC[N@H+]1CCCCC1C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030640302	1	55	0.0	-74.87	419.15	6.12	-68.75
C#CC[N@@H+]1CCCCC1C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030640302	1	55	0.0	-75.36	409.49	5.94	-69.42
C[NH+]1CCN(CC(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030640305	1	55	0.0	-77.31	410.75	2.83	-74.48
NC(=[NH2+])SCC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030640327	0	44	0.0	-81.42	359.49	0.30	-81.12
C[N@@H+]1CC=CCC1CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030640354	0	54	0.0	-72.09	398.76	5.32	-66.77
C[N@H+]1CC=CCC1CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030640354	1	54	0.0	-83.33	402.85	5.39	-77.94
C[C@@H](OCC[NH+](C)C)C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030640371	0	56	0.0	-73.06	427.27	4.98	-68.08
C[N@@H+]1CCC[C@H]1C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030640453	0	50	0.0	-79.70	372.24	3.89	-75.81
O=C(CC[N@H+]1CCC(F)C1)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030640459	0	53	0.0	-85.49	406.60	5.10	-80.39
CC1C(C(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030640477	0	53	0.0	-81.06	393.62	4.83	-76.23
CC1C(C(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030640477	1	53	0.0	-81.06	393.62	4.83	-76.23
CN1CCOCC1CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030640506	0	54	0.0	-86.06	401.94	3.17	-82.89
C[N@@H+]1CCOCC1CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030640506	1	54	0.0	-86.65	402.14	3.14	-83.51
C[N@H+]1CCOCC1CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030640506	1	54	0.0	-86.65	402.14	3.14	-83.51
CC1=C(C)NC(CCC(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)=N1	REAL300030640513	0	54	0.0	-74.06	422.12	4.60	-69.46
CC1=C(C)[NH+]=C(CCC(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)N1	REAL300030640513	1	54	0.0	-74.06	422.12	4.60	-69.46
C[N@@H+]1CCCC1C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030640676	0	50	0.0	-62.43	377.37	4.32	-58.11
C[N@H+]1CCCC1C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030640676	1	50	0.0	-62.43	377.37	4.32	-58.11
CC1=[NH+]C=CN1CCCC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030640854	1	54	0.0	-63.90	426.18	6.38	-57.52
O=C(CC[NH+]1CCOCC1)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030640857	1	54	0.0	-69.70	409.70	3.46	-66.24
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C12CCC[NH+]1CCC2)C1=CC(=O)[N-]O1	REAL300030640872	0	54	0.0	-61.03	388.02	4.64	-56.39
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC(=O)[N-]O1	REAL300030640880	1	48	0.0	-69.92	389.44	6.81	-63.11
C[N@@H+]1CCC(CC(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030640914	0	53	0.0	-69.31	401.08	5.06	-64.25
C[N@H+]1CCC(CC(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030640914	1	53	0.0	-68.39	402.09	5.07	-63.32
CN(C)C1=CC=[NH+]C=C1C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030640922	0	52	0.0	-81.56	402.32	3.27	-78.29
CCC(C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030640925	0	52	0.0	-63.64	376.09	4.19	-59.45
C[NH+](C)CCCCC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030640967	0	55	0.0	-68.52	419.74	5.61	-62.91
CC(C)C(C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030640985	0	55	0.0	-62.38	396.92	4.98	-57.40
CCC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030640986	0	55	0.0	-67.95	415.97	5.45	-62.50
CCC[N@@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030640986	1	55	0.0	-67.68	415.97	5.44	-62.24
CCC[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030640990	0	52	0.0	-65.84	394.21	4.82	-61.02
CCC[N@@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030640990	1	52	0.0	-65.91	394.53	4.83	-61.08
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C12CC[N@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300030641008	0	54	0.0	-71.20	382.72	4.14	-67.06
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C12CC[N@@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300030641008	1	54	0.0	-85.06	384.36	4.17	-80.89
CC1CC[NH+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030641046	0	56	0.0	-65.67	417.10	5.93	-59.74
C[NH+](C)CC1(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030641104	0	53	0.0	-68.97	402.60	4.99	-63.98
CC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030641126	0	52	0.0	-67.25	394.47	4.69	-62.56
CC[N@@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030641126	1	52	0.0	-67.16	394.89	4.66	-62.50
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1C[NH+]2CCC1CC2)C1=CC(=O)[N-]O1	REAL300030641144	0	54	0.0	-72.83	392.29	4.94	-67.89
C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030641196	0	53	0.0	-69.36	399.57	4.98	-64.38
CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030641212	0	55	0.0	-62.56	398.42	4.66	-57.90
CC[NH+](CC)CC(F)C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030641281	0	55	0.0	-63.77	415.26	5.34	-58.43
C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)CCC1	REAL300030641307	0	53	0.0	-67.56	377.75	4.27	-63.29
CCC(C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](CC)CC	REAL300030641337	0	58	0.0	-59.18	418.07	5.65	-53.53
CC1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030641349	0	53	0.0	-62.65	394.04	4.77	-57.88
CC1CCC[N@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030641349	1	53	0.0	-63.01	400.55	5.21	-57.80
CC(C)[N@@H+]1CCCC1C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030641399	0	56	0.0	-61.10	399.05	4.50	-56.60
CC(C)[N@H+]1CCCC1C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030641399	1	56	0.0	-60.69	408.40	5.33	-55.36
CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030641409	0	55	0.0	-64.47	392.40	4.71	-59.76
CC1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030641424	0	53	0.0	-64.78	401.15	5.10	-59.68
CC1CC[N@@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030641424	1	53	0.0	-64.73	401.47	5.16	-59.57
CC1(C)CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030641428	0	56	0.0	-64.73	420.30	5.68	-59.05
CC1(C)CC[N@@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030641428	1	56	0.0	-64.77	420.58	5.71	-59.06
C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300030641429	0	58	0.0	-65.36	422.24	5.83	-59.53
C[N@@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300030641429	1	58	0.0	-65.09	424.26	5.97	-59.12
CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030641437	0	52	0.0	-65.20	379.70	4.27	-60.93
CC1=[NH+]C=CN1CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030641567	1	48	0.0	-62.25	384.53	5.04	-57.21
CC(C)C1=[NH+]C=CN1CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030641612	1	54	0.0	-61.08	420.73	6.16	-54.92
CC[N@@H+]1CCOC(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030641640	1	54	0.0	-69.68	399.02	4.20	-65.48
CC[N@H+]1CCOC(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030641640	1	54	0.0	-81.17	398.74	4.23	-76.94
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC(=O)[N-]O1	REAL300030641674	0	48	0.0	-67.33	378.09	6.45	-60.88
CC1=C[NH+]=CN1CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030641677	1	48	0.0	-66.34	384.73	5.77	-60.57
C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030641685	0	53	0.0	-68.39	392.53	4.70	-63.69
C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030641685	1	53	0.0	-69.25	397.65	4.65	-64.60
CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030641688	0	56	0.0	-67.67	408.52	4.86	-62.81
CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030641688	1	56	0.0	-66.60	411.97	5.43	-61.17
CC1CCC(C)[NH+]1CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030641697	0	56	0.0	-63.42	399.76	4.96	-58.46
O=C(CCC[NH+]1CCCC1)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030641701	0	56	0.0	-66.57	423.32	5.92	-60.65
C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030641705	0	55	0.0	-71.14	424.32	6.14	-65.00
O=C(CC[NH+]1CCCCC1)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030641706	0	56	0.0	-66.69	419.41	5.88	-60.81
CC[N@@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030641710	0	56	0.0	-69.78	413.86	5.60	-64.18
CC[N@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030641710	1	56	0.0	-70.82	402.79	5.22	-65.60
C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300030641826	0	53	0.0	-63.37	401.41	5.45	-57.92
C[N@@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300030641826	1	53	0.0	-63.95	401.05	5.45	-58.50
C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030641859	0	53	0.0	-69.36	399.57	4.98	-64.38
C[N@@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030641892	0	50	0.0	-62.48	369.29	3.79	-58.69
C[N@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030641892	1	50	0.0	-62.57	377.86	4.33	-58.24
C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030641911	1	52	0.0	-63.15	399.37	5.18	-57.97
C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030641911	1	52	0.0	-72.84	407.91	5.62	-67.22
C[N@@H+]1CCCC1CCC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030641916	0	56	0.0	-69.09	422.79	5.96	-63.13
C[N@H+]1CCCC1CCC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030641916	1	56	0.0	-66.64	416.70	5.49	-61.15
C[N@@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642003	0	53	0.0	-70.76	395.56	4.99	-65.77
C[N@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642003	1	53	0.0	-60.84	395.90	4.94	-55.90
CC1C(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030642065	0	53	0.0	-69.17	391.20	4.74	-64.43
CC1C(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030642065	1	53	0.0	-65.77	385.05	4.29	-61.48
CC(C)(C)[N@@H+]1CCC1C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642129	0	56	0.0	-63.82	394.41	4.50	-59.32
CC(C)(C)[N@H+]1CCC1C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642129	1	56	0.0	-61.67	392.91	4.20	-57.47
C[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030642145	0	49	0.0	-73.43	372.72	3.80	-69.63
C=CCC(C)(C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030642159	0	56	0.0	-60.43	390.93	4.67	-55.76
O=C(CC[NH+]1CCCC1)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642176	0	53	0.0	-66.86	402.72	5.10	-61.76
C[N@H+](CCO)CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642185	1	50	0.0	-66.46	382.71	0.84	-65.62
C[N@@H+](CCO)CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642185	1	50	0.0	-65.52	382.84	0.86	-64.66
C[N@H+]1CC=C(CC(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030642245	0	54	0.0	-67.25	414.36	5.78	-61.47
C[N@@H+]1CC=C(CC(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030642245	1	54	0.0	-65.96	414.40	5.79	-60.17
C[S+](C)CCC(O)C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642258	0	52	0.0	-84.74	417.18	2.96	-81.78
C[N@@H+]1CC(O)CC1(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642273	0	54	0.0	-62.22	389.04	0.57	-61.65
C[N@H+]1CC(O)CC1(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642273	1	54	0.0	-65.32	389.70	0.57	-64.75
CC1C[NH+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030642304	1	50	0.0	-65.74	386.26	4.51	-61.23
CC[N@@H+]1CCCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030642310	0	56	0.0	-64.18	417.38	5.62	-58.56
CC[N@H+]1CCCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030642310	1	56	0.0	-69.16	417.22	5.62	-63.54
NC1=[NH+]C=CC=C1CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642314	0	49	0.0	-62.54	389.22	3.25	-59.29
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1CCC[N@@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300030642323	0	54	0.0	-64.26	405.82	5.39	-58.87
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1CCC[N@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300030642323	1	54	0.0	-60.88	398.70	5.43	-55.45
O=C(C=CC[NH+]1CCCC1)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642355	0	54	0.0	-69.23	415.77	5.83	-63.40
CC[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642403	0	49	0.0	-65.62	373.12	4.10	-61.52
O=C(CN1CC2C=CC1C2)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642442	0	52	0.0	-61.75	394.41	5.31	-56.44
O=C(C[N@@H+]1CC2C=CC1C2)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642442	1	52	0.0	-62.94	393.92	5.31	-57.63
O=C(C[N@H+]1CC2C=CC1C2)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642442	1	52	0.0	-62.94	393.92	5.31	-57.63
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C12CCC[N@@H+]1CC=CC2)C1=CC(=O)[N-]O1	REAL300030642533	0	55	0.0	-60.03	388.64	4.91	-55.12
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C12CCC[N@H+]1CC=CC2)C1=CC(=O)[N-]O1	REAL300030642533	1	55	0.0	-60.03	388.64	4.91	-55.12
CC(OCC[NH+](C)C)C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642542	0	56	0.0	-76.15	426.39	5.08	-71.07
C[NH+](C)CCOCCC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642549	0	56	0.0	-67.28	432.14	4.27	-63.01
COCCN(C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642551	0	53	0.0	-65.20	405.09	3.26	-61.94
COCC[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642551	1	53	0.0	-66.93	405.64	3.26	-63.67
COCC[N@@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642551	1	53	0.0	-66.93	405.64	3.26	-63.67
CC(CCC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030642554	0	55	0.0	-66.99	407.79	5.20	-61.79
CC[N@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030642570	0	53	0.0	-62.57	401.69	5.45	-57.12
C[N@@H+]1CC2CC1(C(=O)N1[C@@H]3CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030642598	0	51	0.0	-65.56	379.73	4.34	-61.22
O=C(C[N@@H+]1CC2CCC1C2)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642608	0	54	0.0	-63.08	399.08	5.36	-57.72
O=C(C[N@H+]1CC2CCC1C2)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642608	1	54	0.0	-63.08	399.08	5.36	-57.72
CC(C[NH+](C)C)C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642624	0	52	0.0	-69.23	390.83	4.51	-64.72
CCN1CCC1C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642661	0	50	0.0	-64.79	385.65	4.33	-60.46
CC[N@@H+]1CCC1C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642661	1	50	0.0	-64.51	385.97	4.40	-60.11
CC[N@H+]1CCC1C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642661	1	50	0.0	-64.51	385.97	4.40	-60.11
CCC(C)(C)[NH2+]C(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642675	0	58	0.0	-63.98	411.85	3.62	-60.36
C#CCN1CCCCC1C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642707	0	55	0.0	-71.45	409.36	5.78	-65.67
C#CC[N@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642707	1	55	0.0	-62.48	417.94	6.05	-56.43
C#CC[N@@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642707	1	55	0.0	-62.48	417.94	6.05	-56.43
CNC1=NC(C)=CC=C1C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642708	0	52	0.0	-57.98	399.90	3.91	-54.07
CNC1=[NH+]C(C)=CC=C1C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642708	1	52	0.0	-57.98	399.90	3.91	-54.07
CCCC(C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030642718	0	55	0.0	-65.67	402.08	5.02	-60.65
C[NH+](C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642723	0	52	0.0	-65.52	371.42	3.68	-61.84
CC(CC[NH+](C)C)C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642739	0	55	0.0	-71.82	415.69	5.21	-66.61
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C12CC(C1)C[N@@H+]2C1CC1)C1=CC(=O)[N-]O1	REAL300030642783	0	55	0.0	-59.54	402.54	5.42	-54.12
C[N@@H+]1CC(C)(C)CC1C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642808	0	56	0.0	-65.18	413.60	5.00	-60.18
C[N@H+]1CC(C)(C)CC1C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642808	1	56	0.0	-65.18	413.60	5.00	-60.18
C[NH+](C)CCCCCC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642810	0	58	0.0	-68.48	441.66	6.37	-62.11
CN1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030642819	0	55	0.0	-68.13	414.42	2.92	-65.21
C[NH+]1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030642819	1	55	0.0	-68.13	414.42	2.92	-65.21
CC1C[N@H+](C)CC(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030642880	1	54	0.0	-75.46	409.63	4.47	-70.99
CC1C[N@@H+](C)CC(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030642880	1	54	0.0	-76.22	402.89	4.03	-72.19
C[NH+](C)CC1=CC=C(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300030642908	0	54	0.0	-68.09	415.06	5.06	-63.03
O=C(C[NH+]1CC2CC2C1)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642918	0	51	0.0	-65.29	390.15	5.27	-60.02
C[N@@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642952	0	53	0.0	-70.76	395.56	4.99	-65.77
C[N@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642952	1	53	0.0	-60.84	395.90	4.94	-55.90
C[N@@H+]1CCC(=CC(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030643032	0	51	0.0	-70.26	391.53	4.98	-65.28
C[N@H+]1CCC(=CC(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030643032	1	51	0.0	-69.90	392.86	4.96	-64.94
O=C(CNC1=CC=[NH+]C=C1)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030643036	0	49	0.0	-65.39	390.56	2.69	-62.70
O=C(C=C1C[NH+]2CCC1CC2)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030643078	0	55	0.0	-65.26	410.59	5.83	-59.43
C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300030643104	0	56	0.0	-68.76	386.12	4.65	-64.11
CCC1C[NH+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030643113	0	53	0.0	-66.50	407.36	5.26	-61.24
C[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030643125	0	50	0.0	-63.37	372.63	4.06	-59.31
C[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030643125	1	50	0.0	-65.80	373.64	3.94	-61.86
NC1=CC=C(CCC(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)C=[NH+]1	REAL300030643172	0	52	0.0	-64.20	414.24	3.97	-60.23
C[NH+](C)[C@H]1C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030643228	0	53	0.0	-68.99	404.30	5.15	-63.84
C[NH+](C)CCC1(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030643238	0	56	0.0	-62.67	424.13	5.74	-56.93
C[N@@H+]1CC=CCC1CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030643239	0	54	0.0	-67.84	405.31	5.55	-62.29
C[N@H+]1CC=CCC1CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030643239	1	54	0.0	-68.84	406.24	5.53	-63.31
C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030643282	0	53	0.0	-65.69	410.68	4.56	-61.13
[NH2+]=C1SC=CN1CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030643313	0	46	0.0	-62.42	381.52	3.62	-58.80
C[C@@H](OCC[NH+](C)C)C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030643364	0	56	0.0	-74.35	422.33	4.86	-69.49
C[N@@H+]1CCCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030643394	0	53	0.0	-61.22	390.84	5.11	-56.11
C[N@H+]1CCCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030643394	1	53	0.0	-61.22	390.84	5.11	-56.11
O=C(C[NH+]1CCCCCC1)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030643395	0	56	0.0	-64.41	406.21	5.48	-58.93
CN1C=C[N+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030643399	0	48	0.0	-64.30	386.90	6.92	-57.38
O=C(CN1CCC(O)CC1)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030643423	0	54	0.0	-69.50	407.32	1.94	-67.56
O=C(C[NH+]1CCC(O)CC1)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030643423	1	54	0.0	-69.50	407.32	1.94	-67.56
C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030643427	0	50	0.0	-63.19	384.58	4.84	-58.35
O=C(CC[N@H+]1CCC(F)C1)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030643430	0	53	0.0	-71.56	409.04	5.28	-66.28
CC(CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300030643451	0	55	0.0	-71.21	412.66	5.48	-65.73
CN1CCOCC1CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030643474	0	54	0.0	-64.95	397.98	3.13	-61.82
C[N@@H+]1CCOCC1CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030643474	1	54	0.0	-61.82	398.35	3.13	-58.69
C[N@H+]1CCOCC1CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030643474	1	54	0.0	-61.82	398.35	3.13	-58.69
CC1=CC(N)=NC=C1C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030643518	0	49	0.0	-61.24	378.80	2.53	-58.71
CC1=CC(N)=[NH+]C=C1C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030643518	1	49	0.0	-61.24	378.80	2.53	-58.71
CC1(O)CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030643549	0	54	0.0	-64.56	410.53	1.85	-62.71
C[NH+]1CC(CC(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030643577	0	50	0.0	-68.23	386.23	4.29	-63.94
C[N@H+](CCO)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030643608	0	53	0.0	-67.20	405.19	1.45	-65.75
C[N@@H+](CCO)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030643608	1	53	0.0	-67.20	405.19	1.45	-65.75
C[N@@H+]1CCCCC1CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030643626	0	56	0.0	-59.07	406.28	5.54	-53.53
C[N@H+]1CCCCC1CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030643626	1	56	0.0	-59.07	406.28	5.54	-53.53
CC1CCN1CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030643643	0	50	0.0	-63.90	386.06	4.51	-59.39
CC1CC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030643643	1	50	0.0	-63.67	380.81	4.29	-59.38
CC1CC[N@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030643643	1	50	0.0	-63.67	380.81	4.29	-59.38
C[NH+](C)CC=CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030643653	0	50	0.0	-70.87	389.98	4.61	-66.26
CC1(C)CN(CC(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030643661	0	53	0.0	-65.28	405.04	5.01	-60.27
CC1(C)C[NH+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030643661	1	53	0.0	-65.28	405.04	5.01	-60.27
CC1=C(C)NC(CCC(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300030643672	0	54	0.0	-61.45	425.47	4.76	-56.69
CC1=C(C)[NH+]=C(CCC(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300030643672	1	54	0.0	-61.45	425.47	4.76	-56.69
C[NH+](C)CCSCC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030643688	0	53	0.0	-71.07	421.70	5.43	-65.64
O=C(C[N@H+]1CCCC1CO)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030643707	0	54	0.0	-64.41	403.99	1.51	-62.90
CC[NH+](CC)CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030643711	0	52	0.0	-63.47	390.79	4.80	-58.67
O=C(CN1CCC1)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030643720	0	47	0.0	-66.17	365.56	3.89	-62.28
O=C(C[NH+]1CCC1)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030643720	1	47	0.0	-66.17	365.56	3.89	-62.28
CC[NH+](CC)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030643753	0	55	0.0	-66.28	412.75	5.35	-60.93
CC(C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2)N1CCC1	REAL300030643824	0	50	0.0	-62.18	383.81	4.33	-57.85
CC(C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300030643824	1	50	0.0	-62.18	383.81	4.33	-57.85
CCC(CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300030643829	0	58	0.0	-71.85	429.65	6.07	-65.78
C[NH+](C)CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030643836	0	55	0.0	-69.03	385.73	4.36	-64.67
C[N@@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030643876	0	53	0.0	-62.53	382.46	4.47	-58.06
C[N@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030643876	1	53	0.0	-61.22	395.93	5.03	-56.19
C[NH+](C)CC(O)CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030643902	0	53	0.0	-70.72	408.31	2.50	-68.22
C=CCC(C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030643927	0	53	0.0	-62.95	391.12	4.66	-58.29
C[NH+]1CCC(C)(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030643941	0	56	0.0	-76.49	398.51	4.75	-71.74
C[NH+](C)CCSCC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030644005	0	53	0.0	-84.65	418.46	5.28	-79.37
C[N@@H+]1CCCC1C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030644164	0	49	0.0	-69.69	368.03	3.44	-66.25
C[N@H+]1CCCC1C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030644164	1	49	0.0	-60.81	375.73	4.14	-56.67
CC(C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCCCC1	REAL300030644353	0	58	0.0	-60.46	414.24	5.36	-55.10
CC(C)[N@@H+]1CCCC1C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030644372	0	55	0.0	-55.58	409.49	5.41	-50.17
CC(C)[N@H+]1CCCC1C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030644372	1	55	0.0	-59.20	398.93	4.95	-54.25
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2CCCC[N@@H+]2C1	REAL300030644386	0	56	0.0	-64.41	414.88	5.40	-59.01
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2CCCC[N@H+]2C1	REAL300030644386	1	56	0.0	-56.80	417.99	5.99	-50.81
CC(C)C1=[NH+]C=CN1CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030644406	1	53	0.0	-62.03	412.37	5.48	-56.55
CC1=[NH+]C=CN1CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030644436	1	47	0.0	-64.18	376.03	4.35	-59.83
CC(C[NH+]1CCOCC1)C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030644438	1	56	0.0	-68.24	417.94	3.46	-64.78
O=C(CCC[NH+]1CCCCC1)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030644452	0	58	0.0	-67.21	433.72	6.03	-61.18
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1C[NH+]2CCC1CC2	REAL300030644478	0	53	0.0	-76.83	388.02	4.51	-72.32
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1CCCC2CCC[N@@H+]21	REAL300030644519	0	56	0.0	-57.22	413.41	5.68	-51.54
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1CCCC2CCC[N@H+]21	REAL300030644519	1	56	0.0	-67.74	398.54	5.03	-62.71
C[C@@H]1[C@H](C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300030644533	0	52	0.0	-72.28	383.95	3.70	-68.58
C[C@@H]1[C@H](C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300030644533	1	52	0.0	-70.93	389.66	3.98	-66.95
CC[C@@H]1[C@@H](C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300030644537	0	55	0.0	-76.66	399.35	4.16	-72.50
CC[C@@H]1[C@@H](C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300030644537	1	55	0.0	-62.16	407.22	5.00	-57.16
CC[N@@H+]1CCOC(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030644549	1	53	0.0	-71.36	397.46	3.84	-67.52
CC[N@H+]1CCOC(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030644549	1	53	0.0	-75.68	394.67	3.51	-72.17
CC[NH+](CC)CC(F)C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030644585	0	54	0.0	-60.22	407.80	4.55	-55.67
CC1CCC(C)[NH+]1CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030644646	0	55	0.0	-59.55	405.56	4.70	-54.85
O=C(CCC[NH+]1CCCC1)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030644652	0	55	0.0	-67.15	418.05	5.33	-61.82
C[NH+](C)CC1=CC=CC(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030644653	0	55	0.0	-69.73	427.34	6.32	-63.41
C#CC[NH+]1CCC(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030644657	0	54	0.0	-66.45	418.90	5.68	-60.77
O=C(CC[NH+]1CCCCC1)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030644658	0	55	0.0	-65.15	412.69	5.24	-59.91
CC(C)C[N@@H+]1CCC(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030644680	0	58	0.0	-60.32	433.87	6.08	-54.24
CC(C)C[N@H+]1CCC(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030644680	1	58	0.0	-63.98	431.10	5.72	-58.26
CC(C)[N@@H+]1CCCC1CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030644685	0	58	0.0	-59.80	419.25	5.62	-54.18
CC(C)[N@H+]1CCCC1CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030644685	1	58	0.0	-58.02	419.11	5.54	-52.48
C[N@H+](CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300030644737	0	52	0.0	-61.32	395.24	4.83	-56.49
C[N@@H+](CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300030644737	1	52	0.0	-60.07	395.66	5.07	-55.00
CC(C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1C(C)CCC1C	REAL300030644786	0	58	0.0	-57.77	420.47	5.16	-52.61
CN(CCC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=[NH+]C=C1	REAL300030644835	0	54	0.0	-61.90	421.37	4.40	-57.50
C[N@@H+]1CCCC1CCC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030644848	0	55	0.0	-63.81	418.09	5.81	-58.00
C[N@H+]1CCCC1CCC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030644848	1	55	0.0	-66.86	408.51	4.73	-62.13
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC2CCCC[N@@H+]21	REAL300030644862	0	56	0.0	-57.16	417.33	6.04	-51.12
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC2CCCC[N@H+]21	REAL300030644862	1	56	0.0	-70.54	403.14	4.99	-65.55
O=C(CCCC[NH+]1CCCC1)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030644880	0	58	0.0	-69.25	437.96	6.06	-63.19
C[N@H+](CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)CC1=CC=CC=C1	REAL300030644882	1	55	0.0	-67.10	425.63	6.40	-60.70
C[N@@H+](CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)CC1=CC=CC=C1	REAL300030644882	1	55	0.0	-68.75	423.29	6.33	-62.42
C[NH+]1CCC(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030644893	0	52	0.0	-65.82	393.76	4.49	-61.33
C[NH+](C)CC1=CC(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)=NO1	REAL300030644922	1	51	0.0	-73.68	407.50	4.04	-69.64
CC1=C(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C=CC2=C[NH+]=CN21	REAL300030644923	0	50	0.0	-67.92	391.65	6.56	-61.36
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN2C=[NH+]C=C2C=C1	REAL300030645055	0	47	0.0	-74.92	372.49	6.01	-68.91
CC1=[NH+]C=CN1CCCC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030645064	1	53	0.0	-64.01	419.19	5.70	-58.31
C[NH+](C)CC1=CC=C(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C=C1	REAL300030645069	0	55	0.0	-78.01	424.71	6.22	-71.79
O=C(CC[NH+]1CCOCC1)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030645070	1	53	0.0	-69.78	401.89	2.75	-67.03
CC1=C[NH+]=CN1CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030645095	1	47	0.0	-63.57	375.33	5.05	-58.52
O=C(CN1C=[NH+]C2=C1CCCC2)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030645101	1	54	0.0	-65.01	420.73	6.89	-58.12
C[NH+](C)C1CCCC(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030645154	0	58	0.0	-66.10	428.03	5.66	-60.44
C[N@@H+]1CCC(CC(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030645157	0	52	0.0	-65.12	396.17	4.64	-60.48
C[N@H+]1CCC(CC(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030645157	1	52	0.0	-75.64	388.73	4.09	-71.55
CCC(C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030645172	0	51	0.0	-63.72	376.52	3.88	-59.84
C[NH+](C)C1(CC(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CCCC1	REAL300030645185	0	58	0.0	-76.94	406.15	4.91	-72.03
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC2=C[NH+]=CN2C=C1	REAL300030645218	1	47	0.0	-80.27	372.76	6.02	-74.25
C[NH+](C)CCCCC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030645266	0	54	0.0	-70.79	411.99	4.89	-65.90
CCC[N@H+](C)CCC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030645284	0	54	0.0	-68.29	408.22	4.70	-63.59
CCC[N@@H+](C)CCC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030645284	1	54	0.0	-66.32	410.73	4.80	-61.52
CCC[N@H+](C)CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030645288	0	51	0.0	-65.60	385.86	4.16	-61.44
CCC[N@@H+](C)CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030645288	1	51	0.0	-63.92	388.39	4.25	-59.67
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C12CC[N@H+](C1)CCC2	REAL300030645306	0	53	0.0	-63.93	390.96	4.28	-59.65
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C12CC[N@@H+](C1)CCC2	REAL300030645306	1	53	0.0	-70.38	388.40	3.93	-66.45
C[N@@H+]1CCC[C@@H]1C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030645341	0	49	0.0	-59.28	367.70	3.26	-56.02
C[N@H+]1CCC[C@@H]1C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030645341	1	49	0.0	-68.95	367.47	3.57	-65.38
CCCCCC[N@H+](C)CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030645391	0	60	0.0	-62.11	453.15	6.82	-55.29
CCCCCC[N@@H+](C)CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030645391	1	60	0.0	-65.07	452.86	6.60	-58.47
CC[NH+](CC)CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030645403	0	51	0.0	-64.02	382.34	4.10	-59.92
CCC[N@@H+]1CCCC(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030645429	0	58	0.0	-67.57	430.38	5.76	-61.81
CCC[N@H+]1CCCC(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030645429	1	58	0.0	-58.45	428.07	6.53	-51.92
CC(C)[N@@H+]1CCOC(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030645442	1	56	0.0	-61.49	421.38	4.51	-56.98
CC(C)[N@H+]1CCOC(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030645442	1	56	0.0	-67.22	406.30	3.83	-63.39
CC1CC[NH+](CC(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030645472	0	55	0.0	-64.11	410.63	5.20	-58.91
C[NH+]1CCC(OCC(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030645494	0	56	0.0	-72.05	428.17	4.73	-67.32
C[NH+](C)CC1(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030645507	0	52	0.0	-58.03	397.46	4.46	-53.57
CC1=[NH+]C=C2CCC(C(=O)NC3(C4CCCN4C(=O)C4=CC(=O)[N-]O4)CC3)CN21	REAL300030645508	1	54	0.0	-58.94	417.04	5.81	-53.13
CC(C)[NH+]1CCC(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030645572	0	58	0.0	-63.27	428.04	5.68	-57.59
C[NH+]1CCC(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030645589	0	52	0.0	-65.82	393.76	4.49	-61.33
CCC(C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](CC)CC	REAL300030645619	0	57	0.0	-59.12	407.97	4.95	-54.17
CC[N@H+](C)CCC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030645676	0	51	0.0	-67.73	386.73	3.94	-63.79
CC[N@@H+](C)CCC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030645676	1	51	0.0	-63.69	389.52	4.30	-59.39
CC1CCC[N@@H+]1CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030645721	0	52	0.0	-61.34	393.57	4.39	-56.95
CC1CCC[N@H+]1CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030645721	1	52	0.0	-61.16	386.24	4.09	-57.07
CC1CC[N@H+](CC(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030645723	0	52	0.0	-71.72	387.70	4.17	-67.55
CC1CC[N@@H+](CC(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030645723	1	52	0.0	-64.84	392.66	4.47	-60.37
CC1=[NH+]C=C2CC(C(=O)NC3(C4CCCN4C(=O)C4=CC(=O)[N-]O4)CC3)CCN21	REAL300030645724	1	54	0.0	-62.90	415.15	5.46	-57.44
CC1(C)CC[N@H+](CC(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030645727	0	55	0.0	-56.98	415.56	5.58	-51.40
CC1(C)CC[N@@H+](CC(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030645727	1	55	0.0	-64.35	411.91	4.98	-59.37
C[N@H+](CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300030645728	0	57	0.0	-63.61	416.21	5.24	-58.37
C[N@@H+](CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300030645728	1	57	0.0	-64.60	416.15	5.28	-59.32
CC[C@@H](C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030645735	0	51	0.0	-67.21	379.43	3.94	-63.27
C[NH+]1CCC(O)(CC(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030645890	0	56	0.0	-67.30	417.24	2.89	-64.41
C[NH+](C)CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030645900	0	45	0.0	-66.13	346.63	2.74	-63.39
O=C(C[NH+]1CCC(CO)CC1)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030645903	1	56	0.0	-65.53	422.56	2.01	-63.52
O=C(C[NH+]1CCCCCC1)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030645905	0	55	0.0	-64.60	400.38	5.14	-59.46
CN1C=C[N+](CC(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030645909	0	47	0.0	-60.87	380.37	6.35	-54.52
C[N@@H+]1CCCC(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030645915	0	52	0.0	-65.19	380.74	4.31	-60.88
C[N@H+]1CCCC(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030645915	1	52	0.0	-65.88	393.99	4.69	-61.19
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC[N@@H+]1C1CC1	REAL300030645919	0	53	0.0	-56.98	406.91	5.59	-51.39
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC[N@H+]1C1CC1	REAL300030645919	1	53	0.0	-60.96	400.10	5.10	-55.86
CC(C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC1	REAL300030645943	1	49	0.0	-62.33	374.42	3.77	-58.56
CCC(CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300030645949	0	57	0.0	-68.84	417.33	5.22	-63.62
O=C(C[NH+]1CCC(O)CC1)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030645978	1	53	0.0	-67.20	401.95	1.36	-65.84
C[N@H+](CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300030645979	0	49	0.0	-61.97	377.49	4.21	-57.76
C[N@@H+](CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300030645979	1	49	0.0	-62.35	375.91	4.15	-58.20
CC(C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)N1CC[NH+](C)CC1	REAL300030645980	1	57	0.0	-69.50	420.65	2.59	-66.91
C[NH+]1CC(CC(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030645996	0	49	0.0	-69.24	379.67	3.62	-65.62
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1CC[N@@H+]1C1CCCC1	REAL300030646000	0	56	0.0	-73.58	414.78	5.47	-68.11
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1CC[N@H+]1C1CCCC1	REAL300030646000	1	56	0.0	-71.09	405.76	4.81	-66.28
CC(C)(C)[N@@H+]1CCC1C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646007	0	55	0.0	-60.72	409.28	4.46	-56.26
CC(C)(C)[N@H+]1CCC1C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646007	1	55	0.0	-63.79	408.55	4.51	-59.28
C[C@@H](C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030646018	0	48	0.0	-61.50	367.60	3.66	-57.84
CCC1CCC[N@H+](CC(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030646053	0	58	0.0	-64.15	421.18	5.80	-58.35
CCC1CCC[N@@H+](CC(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030646053	1	58	0.0	-72.73	423.39	5.61	-67.12
C[NH+](C)CC1=CC=C(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300030646060	0	53	0.0	-77.50	414.36	3.90	-73.60
[NH2+]=C1SC=CN1CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646097	0	45	0.0	-63.54	373.70	2.92	-60.62
C[N@H+](CCO)CCC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646105	0	52	0.0	-65.12	399.59	0.84	-64.28
C[N@@H+](CCO)CCC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646105	1	52	0.0	-66.63	397.14	0.74	-65.89
C[C@@H](C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030646106	0	48	0.0	-61.50	367.60	3.66	-57.84
C[N@@H+]1CCCC[C@@H]1C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646110	0	52	0.0	-57.41	382.31	4.65	-52.76
C[N@H+]1CCCC[C@@H]1C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646110	1	52	0.0	-65.33	389.49	4.33	-61.00
CC1CN2CC[N@@H+]1CC2C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646117	0	55	0.0	-60.97	401.03	1.86	-59.11
CC1CN2CC[N@H+]1CC2C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646117	1	55	0.0	-76.00	398.45	1.61	-74.39
O=C(CC1=CC2=C[NH+]=CN2C=C1)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646160	0	50	0.0	-66.91	403.55	7.03	-59.88
C[N@H+](CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1CCSC1	REAL300030646182	0	53	0.0	-72.58	406.12	4.97	-67.61
C[N@@H+](CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1CCSC1	REAL300030646182	1	53	0.0	-67.39	408.69	5.32	-62.07
O=C(C[NH+]1CCC1)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646183	1	46	0.0	-73.08	352.61	2.98	-70.10
C[NH+](C)CC1=CC(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)=CC=N1	REAL300030646208	1	54	0.0	-67.43	420.84	4.39	-63.04
C[N@@H+]1CCC(=CC(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030646209	0	50	0.0	-66.90	388.43	4.87	-62.03
C[N@H+]1CCC(=CC(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030646209	1	50	0.0	-69.03	387.21	4.67	-64.36
C[NH+](C)CCOCC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646237	0	52	0.0	-69.68	402.51	3.64	-66.04
CCCCC[N@H+](C)CCC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646243	0	60	0.0	-69.13	451.22	6.26	-62.87
CCCCC[N@@H+](C)CCC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646243	1	60	0.0	-67.24	453.73	6.36	-60.88
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300030646251	0	56	0.0	-68.32	425.86	4.52	-63.80
C=CCC(C)(C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030646258	0	55	0.0	-59.25	403.97	4.90	-54.35
C[S+](C)CCC(O)C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646263	0	51	0.0	-59.73	413.08	2.29	-57.44
CN1CC[N@H+](C)CC(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030646296	0	57	0.0	-65.28	416.55	2.29	-62.99
CN1CC[N@@H+](C)CC(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030646296	1	57	0.0	-65.28	416.55	2.29	-62.99
CC(C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)[N@@H+]1CCCC(O)C1	REAL300030646297	0	56	0.0	-65.39	417.21	1.64	-63.75
O=C(CN1CCC(CO)CC1)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646307	0	56	0.0	-65.53	422.56	2.01	-63.52
O=C(C[NH+]1CCC(CO)CC1)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646307	1	56	0.0	-65.53	422.56	2.01	-63.52
C[N@@H+]1CCCC(O)(CC(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030646316	0	56	0.0	-66.86	404.55	2.82	-64.04
C[N@H+]1CCCC(O)(CC(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030646316	1	56	0.0	-66.86	404.55	2.82	-64.04
CC1CN(CC(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030646319	0	49	0.0	-65.41	376.71	3.91	-61.50
CC1C[NH+](CC(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030646319	1	49	0.0	-65.41	376.71	3.91	-61.50
CN(CCO)CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646344	0	49	0.0	-65.37	377.24	0.27	-65.10
C[N@H+](CCO)CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646344	1	49	0.0	-66.38	374.90	0.16	-66.22
C[N@@H+](CCO)CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646344	1	49	0.0	-66.38	374.90	0.16	-66.22
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1C[N@@H+]2CCN1CCC2	REAL300030646364	0	55	0.0	-83.27	390.50	1.80	-81.47
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1C[N@H+]2CCN1CCC2	REAL300030646364	1	55	0.0	-83.27	390.50	1.80	-81.47
CC[N@@H+]1CCCC(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030646368	0	55	0.0	-63.77	411.67	5.36	-58.41
CC[N@H+]1CCCC(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030646368	1	55	0.0	-63.77	411.67	5.36	-58.41
CC(CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300030646370	0	54	0.0	-67.70	403.71	4.73	-62.97
CC[N@H+](C)CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646382	0	48	0.0	-65.09	364.36	3.41	-61.68
CC[N@H+](CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300030646429	0	52	0.0	-62.96	392.96	4.70	-58.26
CC[NH+](CC)CCC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646444	0	54	0.0	-66.65	404.62	4.65	-62.00
CC1(C)CN(CC(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030646467	0	52	0.0	-64.94	397.07	4.33	-60.61
CC1(C)C[NH+](CC(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030646467	1	52	0.0	-64.94	397.07	4.33	-60.61
CC1(O)CC[N@H+](CC(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030646490	0	53	0.0	-65.27	402.59	1.15	-64.12
C[NH+](C)CC=CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646496	0	49	0.0	-70.80	386.36	4.06	-66.74
CC(OCC[NH+](C)C)C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646513	0	55	0.0	-67.19	423.09	4.45	-62.74
C[NH+](C)CCOCCC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646522	0	55	0.0	-67.01	423.46	3.54	-63.47
COCCN(C)CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646523	0	52	0.0	-59.42	399.82	2.99	-56.43
COCC[N@H+](C)CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646523	1	52	0.0	-65.42	399.49	2.67	-62.75
COCC[N@@H+](C)CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646523	1	52	0.0	-65.42	399.49	2.67	-62.75
CC(CCC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030646556	0	54	0.0	-68.51	403.95	4.50	-64.01
CCN1CCC1C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646565	0	49	0.0	-61.29	372.31	3.50	-57.79
CC[N@@H+]1CCC1C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646565	1	49	0.0	-65.04	378.29	3.70	-61.34
CC[N@H+]1CCC1C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646565	1	49	0.0	-65.04	378.29	3.70	-61.34
CC(C)[N@@H+]1CCCC(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030646574	0	58	0.0	-71.81	421.26	5.29	-66.52
CC(C)[N@H+]1CCCC(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030646574	1	58	0.0	-71.81	421.26	5.29	-66.52
O=C(C[N@H+]1CCCC1CO)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646586	0	53	0.0	-63.40	399.82	1.35	-62.05
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2CCCC[N@@H+]2C1	REAL300030646605	0	56	0.0	-56.80	417.99	5.99	-50.81
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2CCCC[N@H+]2C1	REAL300030646605	1	56	0.0	-56.80	417.99	5.99	-50.81
C=CCC(C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030646632	0	52	0.0	-62.43	390.66	4.33	-58.10
C[N@@H+]1CC(C)(C)CC1C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646639	0	55	0.0	-69.35	404.13	4.03	-65.32
C[NH+](C)CCCCCC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646643	0	57	0.0	-71.08	433.49	5.67	-65.41
CC1C[N@@H+]2CCN1C(C(=O)NC1(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300030646677	0	55	0.0	-62.14	401.04	1.92	-60.22
CCCC(C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030646678	0	54	0.0	-65.18	399.37	4.62	-60.56
C[N@@H+]1CCCCC1C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646716	0	52	0.0	-62.67	381.95	4.52	-58.15
C[N@H+]1CC=C(CC(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030646752	0	53	0.0	-65.21	408.56	5.39	-59.82
C[N@@H+]1CC=C(CC(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030646752	1	53	0.0	-65.21	408.56	5.39	-59.82
O=C(CC1([NH+]2CCCC2)CC1)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646759	0	56	0.0	-63.39	411.90	5.47	-57.92
CN(C)CC1=CC=C(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300030646802	0	52	0.0	-76.11	411.20	4.55	-71.56
C[NH+](C)CC1=CC=C(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300030646802	1	52	0.0	-76.11	411.20	4.55	-71.56
O=C(C=CC[NH+]1CCCC1)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646817	0	53	0.0	-68.37	407.90	5.09	-63.28
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1CC[NH+](C2CC2)CC1	REAL300030646838	0	56	0.0	-66.02	420.49	5.80	-60.22
O=C(CC[NH+]1CCCC1)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646854	0	52	0.0	-66.40	396.56	4.52	-61.88
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1C[NH+]2CCN1CC2	REAL300030646886	0	52	0.0	-72.56	385.83	1.60	-70.96
O=C(C[N@@H+]1CC2CCC1C2)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646906	0	53	0.0	-62.04	390.51	4.67	-57.37
O=C(C[N@H+]1CC2CCC1C2)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646906	1	53	0.0	-62.74	394.47	4.84	-57.90
O=C(C=C1C[NH+]2CCC1CC2)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646943	0	54	0.0	-65.59	405.48	5.24	-60.35
O=C(C[N@@H+]1CC2C=CC1C2)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646951	1	51	0.0	-55.88	389.89	5.30	-50.58
O=C(C[N@H+]1CC2C=CC1C2)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646951	1	51	0.0	-63.39	386.00	4.71	-58.68
CC[NH+]1CCN(CC(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030646975	0	57	0.0	-64.46	426.79	3.46	-61.00
CC(C[NH+](C)C)C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646990	0	51	0.0	-67.14	387.54	4.10	-63.04
C[N@@H+]1CCCCC1CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030647058	0	55	0.0	-60.62	401.15	5.13	-55.49
C[N@H+]1CCCCC1CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030647058	1	55	0.0	-56.10	400.93	4.89	-51.21
CC1=C2C=C(C(=O)NC3(C4CCCN4C(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300030647071	1	50	0.0	-70.95	398.97	6.82	-64.13
CC(C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CC(C)C1	REAL300030647072	1	52	0.0	-64.67	394.63	4.48	-60.19
CC1CC[N@@H+]1CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030647075	1	49	0.0	-63.69	372.55	3.57	-60.12
CC1CC[N@H+]1CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030647075	1	49	0.0	-59.93	375.22	3.90	-56.03
C[NH+](C)CC(O)CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030647079	0	52	0.0	-71.85	399.24	1.66	-70.19
CC1C[N@H+](C)CC(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300030647102	1	53	0.0	-69.12	398.46	3.72	-65.40
CC1C[N@@H+](C)CC(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300030647102	1	53	0.0	-83.71	400.92	3.55	-80.16
O=C(CC[NH+]1CCC(O)CC1)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030647111	0	56	0.0	-70.34	422.86	1.85	-68.49
CCC[N@@H+]1CCCCC1C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030647113	0	58	0.0	-59.09	427.93	5.73	-53.36
CCC[N@H+]1CCCCC1C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030647113	1	58	0.0	-63.91	428.34	5.72	-58.19
C[NH+](C)[C@H]1C[C@H](C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030647184	0	52	0.0	-58.45	400.54	4.97	-53.48
CC(CC[NH+](C)C)C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030647192	0	54	0.0	-68.00	408.26	4.68	-63.32
C[N@H+](CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CCC[C@H]1O	REAL300030647209	0	56	0.0	-67.66	412.99	1.89	-65.77
C[N@@H+](CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CCC[C@H]1O	REAL300030647209	1	56	0.0	-63.79	417.27	2.12	-61.67
C#CC[N@H+]1CCCCC1C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030647216	1	54	0.0	-60.94	404.68	5.35	-55.59
C#CC[N@@H+]1CCCCC1C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030647216	1	54	0.0	-55.80	408.49	5.68	-50.12
C[NH+]1CCN(CC(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030647219	1	54	0.0	-66.03	409.55	2.82	-63.21
CC[NH+]1CCN(CC(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030647228	0	57	0.0	-64.46	426.79	3.46	-61.00
NC(=[NH2+])SCC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030647250	0	43	0.0	-67.77	354.55	-0.32	-68.09
CCN1CCOCC1CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030647283	0	56	0.0	-66.24	413.27	3.51	-62.73
CC[N@@H+]1CCOCC1CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030647283	1	56	0.0	-77.82	410.29	2.99	-74.83
CC[N@H+]1CCOCC1CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030647283	1	56	0.0	-77.82	410.29	2.99	-74.83
C[NH+](C)C1CCC(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030647297	0	58	0.0	-56.67	421.27	5.48	-51.19
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030647299	0	58	0.0	-56.58	421.51	5.50	-51.08
C[N@@H+]1CC=CCC1CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030647300	0	53	0.0	-68.04	398.07	4.79	-63.25
C[N@H+]1CC=CCC1CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030647300	1	53	0.0	-68.04	398.07	4.79	-63.25
C[C@@H](OCC[NH+](C)C)C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030647321	0	55	0.0	-69.00	417.99	4.06	-64.94
C[NH+]1C2CCC1CC(C(=O)NC1(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300030647343	0	56	0.0	-57.62	384.81	5.12	-52.50
CC(C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCSCC1	REAL300030647432	1	53	0.0	-66.02	402.34	4.59	-61.43
C[N@H+]1CCC[C@H]1C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030647441	1	49	0.0	-68.02	367.59	3.25	-64.77
O=C(CC[N@@H+]1CCC(F)C1)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030647448	1	52	0.0	-79.56	397.01	4.30	-75.26
O=C(CC[NH+]1CCCCCC1)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030647464	0	58	0.0	-67.25	423.16	5.46	-61.79
O=C(C[NH+]1CCCCC1)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030647466	0	52	0.0	-64.19	389.60	4.59	-59.60
CC1C(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300030647474	0	52	0.0	-64.54	394.07	4.13	-60.41
CC1C(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300030647474	1	52	0.0	-68.31	393.42	4.29	-64.02
C[N@@H+]1CCCCC1CCC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030647476	0	58	0.0	-63.06	430.75	5.99	-57.07
C[N@H+]1CCCCC1CCC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030647476	1	58	0.0	-65.62	428.42	5.65	-59.97
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1CC[N@@H+]2CCOCC12	REAL300030647500	0	54	0.0	-59.90	404.19	3.39	-56.51
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1CC[N@H+]2CCOCC12	REAL300030647500	1	54	0.0	-78.93	401.37	2.77	-76.16
CC1=[NH+]C=C2C=CC(C(=O)NC3(C4CCCN4C(=O)C4=CC(=O)[N-]O4)CC3)=CN21	REAL300030647505	0	50	0.0	-71.38	393.91	5.77	-65.61
CN1CCOCC1CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030647522	0	53	0.0	-58.41	392.26	2.52	-55.89
C[N@@H+]1CCOCC1CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030647522	1	53	0.0	-66.37	390.66	2.39	-63.98
C[N@H+]1CCOCC1CC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030647522	1	53	0.0	-58.41	392.26	2.52	-55.89
CC1=C(C)[NH+]=C(CCC(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300030647530	1	53	0.0	-58.79	419.66	4.36	-54.43
C[N@H+]1CCCC1C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030647698	1	49	0.0	-73.12	363.13	3.08	-70.04
CC1=[NH+]C=CN1CCCC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030647884	1	53	0.0	-63.66	423.76	6.12	-57.54
C[NH+](C)CC1=CC=C(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C=C1	REAL300030647889	0	55	0.0	-58.70	410.60	5.87	-52.83
O=C(CC[NH+]1CCOCC1)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030647890	1	53	0.0	-70.19	405.26	2.88	-67.31
O=C(NC1(C2CCCN2C(=O)C2=CC3=C[NH+]=CN3C=C2)CC1)C1=CC(=O)[N-]O1	REAL300030647916	1	47	0.0	-76.50	364.04	6.13	-70.37
C[NH+](C)C1CCCC(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030647968	0	58	0.0	-64.17	413.20	5.08	-59.09
C[N@@H+]1CCC(CC(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030647971	0	52	0.0	-67.96	399.64	4.78	-63.18
C[N@H+]1CCC(CC(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030647971	1	52	0.0	-65.48	399.71	4.82	-60.66
CCC(C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030647986	0	51	0.0	-64.44	378.69	3.81	-60.63
C[NH+](C)CCCCC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030648045	0	54	0.0	-69.29	415.35	5.02	-64.27
CCC[N@H+](C)CCC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030648065	0	54	0.0	-67.94	411.58	4.84	-63.10
CCC[N@@H+](C)CCC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030648065	1	54	0.0	-67.80	411.50	4.83	-62.97
CCC[N@H+](C)CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030648069	0	51	0.0	-63.46	392.12	4.62	-58.84
CCC[N@@H+](C)CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030648069	1	51	0.0	-65.31	389.12	4.25	-61.06
O=C(NC1(C2CCCN2C(=O)C23CC[N@H+](C2)CCC3)CC1)C1=CC(=O)[N-]O1	REAL300030648087	0	53	0.0	-75.04	385.37	4.18	-70.86
O=C(NC1(C2CCCN2C(=O)C23CC[N@@H+](C2)CCC3)CC1)C1=CC(=O)[N-]O1	REAL300030648087	1	53	0.0	-73.14	384.13	4.00	-69.14
CCCCCC[N@H+](C)CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030648116	0	60	0.0	-64.55	456.61	6.97	-57.58
CCCCCC[N@@H+](C)CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030648116	1	60	0.0	-66.36	453.61	6.59	-59.77
CC1CC[NH+](CC(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030648151	0	55	0.0	-65.45	412.49	5.32	-60.13
C[NH+]1CCC(OCC(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030648173	0	56	0.0	-74.17	432.54	5.31	-68.86
O=C(NC1(C2CCCN2C(=O)C2CC3CCCC[N@@H+]3C2)CC1)C1=CC(=O)[N-]O1	REAL300030648211	0	56	0.0	-63.61	416.54	5.75	-57.86
O=C(NC1(C2CCCN2C(=O)C2CC3CCCC[N@H+]3C2)CC1)C1=CC(=O)[N-]O1	REAL300030648211	1	56	0.0	-77.19	408.61	5.14	-72.05
C[NH+](C)CC1(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030648221	0	52	0.0	-50.74	394.47	5.28	-45.46
CC1=[NH+]C=C2CCC(C(=O)N3CCCC3C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CN21	REAL300030648222	1	54	0.0	-60.64	416.30	5.60	-55.04
CC(C)[NH+]1CCC(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030648232	0	58	0.0	-75.85	415.09	4.92	-70.93
CC[N@H+](C)CCC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030648254	0	51	0.0	-67.26	390.08	4.09	-63.17
CC[N@@H+](C)CCC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030648254	1	51	0.0	-67.10	390.01	4.07	-63.03
O=C(NC1(C2CCCN2C(=O)C2C[NH+]3CCC2CC3)CC1)C1=CC(=O)[N-]O1	REAL300030648284	0	53	0.0	-61.94	390.30	4.94	-57.00
C[NH+]1CCC(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030648352	0	52	0.0	-71.10	396.56	4.73	-66.37
CC[NH+](CC)CC(F)C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030648440	0	54	0.0	-59.78	414.98	5.18	-54.60
CC(C)C[N@@H+]1CCC(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030648467	0	58	0.0	-62.78	434.97	6.05	-56.73
CC(C)C[N@H+]1CCC(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030648467	1	58	0.0	-65.59	432.68	6.16	-59.43
CCC(C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](CC)CC	REAL300030648492	0	57	0.0	-58.96	414.77	5.32	-53.64
CC1CCC[N@@H+]1CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030648508	0	52	0.0	-69.17	383.75	3.98	-65.19
CC1CCC[N@H+]1CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030648508	1	52	0.0	-70.22	389.44	4.37	-65.85
CC(C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCCCC1	REAL300030648569	0	58	0.0	-62.35	417.47	5.24	-57.11
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030648588	0	55	0.0	-64.98	403.45	5.61	-59.37
CC(C)[N@H+]1CCCC1C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030648588	1	55	0.0	-69.60	397.05	4.42	-65.18
CC(C)[N@@H+]1CCCC1CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030648593	0	58	0.0	-63.61	435.28	5.87	-57.74
CC(C)[N@H+]1CCCC1CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030648593	1	58	0.0	-62.10	418.60	4.90	-57.20
CC1CC[N@H+](CC(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030648623	0	52	0.0	-61.68	399.08	4.84	-56.84
CC1CC[N@@H+](CC(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030648623	1	52	0.0	-71.36	391.43	4.27	-67.09
CC1=[NH+]C=C2CC(C(=O)N3CCCC3C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CCN21	REAL300030648624	1	54	0.0	-63.42	422.47	5.85	-57.57
CC1(C)CC[N@H+](CC(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030648627	0	55	0.0	-62.44	418.14	5.59	-56.85
CC1(C)CC[N@@H+](CC(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030648627	1	55	0.0	-62.68	418.40	5.44	-57.24
C[N@H+](CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300030648628	0	57	0.0	-63.65	420.72	5.62	-58.03
C[N@@H+](CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300030648628	1	57	0.0	-65.33	420.30	5.41	-59.92
CC[C@@H](C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030648635	0	51	0.0	-58.75	382.22	4.20	-54.55
CN(CCC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=[NH+]C=C1	REAL300030648750	0	54	0.0	-67.99	424.46	4.53	-63.46
CC1=[NH+]C=CN1CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030648828	1	47	0.0	-61.24	382.31	4.82	-56.42
CC(C[NH+]1CCOCC1)C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030648830	1	56	0.0	-67.61	417.60	3.33	-64.28
O=C(CCC[NH+]1CCCCC1)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030648844	0	58	0.0	-64.98	437.85	6.41	-58.57
C[NH+](C)CC1=CC(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)=NO1	REAL300030648857	1	51	0.0	-74.67	407.50	4.39	-70.28
CC1=C(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C=CC2=C[NH+]=CN21	REAL300030648858	0	50	0.0	-74.29	401.45	6.53	-67.76
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030648891	1	53	0.0	-67.30	406.26	5.23	-62.07
O=C(NC1(C2CCCN2C(=O)C2CCCC3CCC[N@@H+]32)CC1)C1=CC(=O)[N-]O1	REAL300030648924	0	56	0.0	-65.65	407.09	5.30	-60.35
O=C(NC1(C2CCCN2C(=O)C2CCCC3CCC[N@H+]32)CC1)C1=CC(=O)[N-]O1	REAL300030648924	1	56	0.0	-63.24	402.04	5.56	-57.68
CC[N@@H+]1CCOC(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030648943	1	53	0.0	-56.33	393.01	3.46	-52.87
CC[N@H+]1CCOC(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030648943	1	53	0.0	-71.16	400.52	3.64	-67.52
O=C(NC1(C2CCCN2C(=O)C2=CN3C=[NH+]C=C3C=C2)CC1)C1=CC(=O)[N-]O1	REAL300030648983	0	47	0.0	-71.99	363.78	6.11	-65.88
CC1=C[NH+]=CN1CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030648988	1	47	0.0	-66.46	379.65	5.19	-61.27
C[C@@H]1[C@H](C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300030649002	0	52	0.0	-65.30	383.42	4.45	-60.85
C[C@@H]1[C@H](C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300030649002	1	52	0.0	-62.51	387.41	4.70	-57.81
CC[C@@H]1[C@@H](C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300030649006	0	55	0.0	-67.33	408.32	5.02	-62.31
CC[C@@H]1[C@@H](C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300030649006	1	55	0.0	-62.50	413.00	5.08	-57.42
CC1CCC(C)[NH+]1CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030649016	0	55	0.0	-59.82	409.52	5.06	-54.76
O=C(CCC[NH+]1CCCC1)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030649022	0	55	0.0	-65.05	422.64	5.74	-59.31
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030649023	0	55	0.0	-74.52	412.09	6.09	-68.43
C#CC[NH+]1CCC(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030649028	0	54	0.0	-79.38	409.10	5.13	-74.25
O=C(CC[NH+]1CCCCC1)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030649029	0	55	0.0	-66.63	413.91	5.30	-61.33
O=C(CN1C=[NH+]C2=C1CCCC2)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030649040	1	54	0.0	-58.10	424.48	7.28	-50.82
C[NH+](C)C1(CC(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CCCC1	REAL300030649067	0	58	0.0	-67.63	416.68	5.65	-61.98
C[N@H+](CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300030649201	0	52	0.0	-62.30	395.99	4.84	-57.46
C[N@@H+](CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300030649201	1	52	0.0	-60.63	399.10	5.20	-55.43
CC(C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1C(C)CCC1C	REAL300030649219	0	58	0.0	-62.33	407.14	4.56	-57.77
O=C(CCCC[NH+]1CCCC1)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030649232	0	58	0.0	-67.87	441.31	6.20	-61.67
C[N@H+](CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1)CC1=CC=CC=C1	REAL300030649234	1	55	0.0	-77.83	421.52	6.20	-71.63
C[N@@H+](CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1)CC1=CC=CC=C1	REAL300030649234	1	55	0.0	-66.96	429.62	6.78	-60.18
C[NH+]1CCC(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030649245	0	52	0.0	-71.10	396.56	4.73	-66.37
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030649280	0	49	0.0	-61.95	363.15	3.41	-58.54
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030649280	1	49	0.0	-69.45	367.04	3.57	-65.88
C[N@@H+]1CCCC1CCC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030649306	0	55	0.0	-65.67	417.44	5.35	-60.32
C[N@H+]1CCCC1CCC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030649306	1	55	0.0	-65.31	414.83	5.42	-59.89
O=C(NC1(C2CCCN2C(=O)C2CCC3CCCC[N@@H+]32)CC1)C1=CC(=O)[N-]O1	REAL300030649320	0	56	0.0	-57.36	413.35	5.61	-51.75
O=C(NC1(C2CCCN2C(=O)C2CCC3CCCC[N@H+]32)CC1)C1=CC(=O)[N-]O1	REAL300030649320	1	56	0.0	-69.69	401.17	4.93	-64.76
CCC[N@@H+]1CCCC(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030649380	0	58	0.0	-64.16	430.99	5.69	-58.47
CCC[N@H+]1CCCC(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030649380	1	58	0.0	-60.98	436.93	6.10	-54.88
CC(C)[N@@H+]1CCOC(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030649393	1	56	0.0	-74.25	421.23	4.60	-69.65
CC(C)[N@H+]1CCOC(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030649393	1	56	0.0	-73.13	399.96	3.88	-69.25
O=C(C[NH+]1CCC(CO)CC1)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030649450	0	56	0.0	-66.49	423.32	2.02	-64.47
CC1C(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300030649493	0	52	0.0	-64.58	399.64	4.57	-60.01
CC1C(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300030649493	1	52	0.0	-62.51	387.43	4.70	-57.81
C[N@@H+]1CCCCC1CCC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030649495	0	58	0.0	-71.21	423.93	5.58	-65.63
C[N@H+]1CCCCC1CCC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030649495	1	58	0.0	-64.07	426.72	5.94	-58.13
NC1=[NH+]C2=C(C=C1C(=O)N1CCCC1C1(NC(=O)C3=CC(=O)[N-]O3)CC1)CCC2	REAL300030649521	1	52	0.0	-58.11	406.53	3.93	-54.18
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030649570	0	55	0.0	-63.28	410.57	4.46	-58.82
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030649570	1	55	0.0	-70.40	403.54	4.24	-66.16
C[C@@H](C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030649588	0	48	0.0	-60.40	369.09	3.53	-56.87
C[NH+](C)CC1=CC(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)=CC=N1	REAL300030649602	1	54	0.0	-68.18	418.27	4.04	-64.14
C=CCC(C)(C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030649606	0	55	0.0	-60.69	392.43	4.45	-56.24
O=C(CC[NH+]1CCCC1)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030649631	0	52	0.0	-66.26	399.54	4.83	-61.43
C[N@H+](CCO)CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030649640	1	49	0.0	-73.82	373.14	0.05	-73.77
C[N@@H+](CCO)CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030649640	1	49	0.0	-73.11	372.68	0.06	-73.05
O=C(NC1(C2CCCN2C(=O)C2C[N@@H+]3CCN2CCC3)CC1)C1=CC(=O)[N-]O1	REAL300030649673	0	55	0.0	-78.87	389.00	1.80	-77.07
O=C(NC1(C2CCCN2C(=O)C2C[N@H+]3CCN2CCC3)CC1)C1=CC(=O)[N-]O1	REAL300030649673	1	55	0.0	-77.59	398.93	2.53	-75.06
CC(C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCSCC1	REAL300030649692	1	53	0.0	-65.01	402.81	4.71	-60.30
C[N@H+]1CC=C(CC(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030649725	0	53	0.0	-63.66	412.04	5.71	-57.95
C[N@@H+]1CC=C(CC(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030649725	1	53	0.0	-67.36	404.29	4.98	-62.38
C[S+](C)CCC(O)C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030649737	0	51	0.0	-77.21	413.89	2.62	-74.59
CN1CC[N@H+](C)CC(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030649766	0	57	0.0	-69.90	412.43	2.54	-67.36
CN1CC[N@@H+](C)CC(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030649766	1	57	0.0	-65.28	419.81	2.62	-62.66
CC(C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1)[N@@H+]1CCCC(O)C1	REAL300030649767	0	56	0.0	-58.36	420.43	2.35	-56.01
CC(C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1)[N@H+]1CCCC(O)C1	REAL300030649767	1	56	0.0	-61.13	419.60	2.19	-58.94
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030649798	0	56	0.0	-64.55	410.21	2.91	-61.64
C[N@H+]1CCCC(O)(CC(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030649798	1	56	0.0	-63.66	410.64	3.62	-60.04
CC1C[NH+](CC(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030649802	1	49	0.0	-64.48	380.00	4.00	-60.48
CC[N@@H+]1CCCC(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030649807	0	55	0.0	-72.18	402.94	4.73	-67.45
CC[N@H+]1CCCC(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030649807	1	55	0.0	-55.51	402.16	5.53	-49.98
NC1=[NH+]C=CC=C1CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030649813	0	48	0.0	-62.18	387.16	3.01	-59.17
O=C(NC1(C2CCCN2C(=O)C2CCC[N@@H+]2C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300030649824	0	53	0.0	-75.39	396.90	4.57	-70.82
O=C(NC1(C2CCCN2C(=O)C2CCC[N@H+]2C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300030649824	1	53	0.0	-74.37	377.62	4.31	-70.06
O=C(C=CC[NH+]1CCCC1)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030649863	0	53	0.0	-67.10	413.70	5.59	-61.51
O=C(NC1(C2CCCN2C(=O)C2CC[NH+](C3CC3)CC2)CC1)C1=CC(=O)[N-]O1	REAL300030649884	0	56	0.0	-67.91	422.12	5.94	-61.97
CC[N@H+](C)CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030649920	0	48	0.0	-62.87	370.62	3.87	-59.00
O=C(CN1CC2C=CC1C2)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030649972	0	51	0.0	-60.54	388.76	4.69	-55.85
O=C(C[N@@H+]1CC2C=CC1C2)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030649972	1	51	0.0	-61.87	392.25	5.33	-56.54
O=C(C[N@H+]1CC2C=CC1C2)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030649972	1	51	0.0	-61.87	392.25	5.33	-56.54
CC1=CC=C(NCCC(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)N=C1	REAL300030649992	0	54	0.0	-61.60	431.66	4.60	-57.00
CC1=CC=C(NCCC(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)[NH+]=C1	REAL300030649992	1	54	0.0	-61.60	431.66	4.60	-57.00
CC(OCC[NH+](C)C)C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650098	0	55	0.0	-67.65	421.13	4.28	-63.37
C[NH+](C)CCOCCC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650108	0	55	0.0	-69.02	426.81	3.67	-65.35
COCCN(C)CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650110	0	52	0.0	-72.65	394.94	2.45	-70.20
COCC[N@H+](C)CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650110	1	52	0.0	-67.46	400.22	2.67	-64.79
COCC[N@@H+](C)CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650110	1	52	0.0	-67.46	400.22	2.67	-64.79
CC(CCC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030650116	0	54	0.0	-65.32	407.10	4.63	-60.69
CC[N@H+](CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300030650140	0	52	0.0	-61.11	399.15	5.15	-55.96
CC1C[N@@H+]2CCN1C(C(=O)N1CCCC1C1(NC(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300030650150	0	55	0.0	-63.51	402.75	1.92	-61.59
CC1=NC(N)=CC=C1C=CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650179	0	52	0.0	-66.70	413.76	3.50	-63.20
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650179	1	52	0.0	-66.70	413.76	3.50	-63.20
O=C(C[N@@H+]1CC2CCC1C2)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650185	0	53	0.0	-62.69	397.25	5.26	-57.43
O=C(C[N@H+]1CC2CCC1C2)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650185	1	53	0.0	-62.69	397.25	5.26	-57.43
CC(C[NH+](C)C)C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650204	0	51	0.0	-51.45	391.96	4.19	-47.26
CCN1CCC1C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650247	0	49	0.0	-63.35	373.34	3.51	-59.84
CC[N@@H+]1CCC1C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650247	1	49	0.0	-62.73	375.97	3.95	-58.78
CC[N@H+]1CCC1C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650247	1	49	0.0	-62.73	375.97	3.95	-58.78
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030650257	0	58	0.0	-60.04	432.08	5.87	-54.17
CC(C)[N@H+]1CCCC(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030650257	1	58	0.0	-60.04	432.08	5.87	-54.17
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650268	0	57	0.0	-63.03	406.01	4.22	-58.81
C#CCN1CCCCC1C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650309	0	54	0.0	-64.89	402.97	5.89	-59.00
C#CC[N@H+]1CCCCC1C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650309	1	54	0.0	-64.89	404.02	5.70	-59.19
C#CC[N@@H+]1CCCCC1C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650309	1	54	0.0	-64.89	404.02	5.70	-59.19
CNC1=NC(C)=CC=C1C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650310	0	51	0.0	-67.79	393.60	3.24	-64.55
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650310	1	51	0.0	-67.79	393.60	3.24	-64.55
CCCC(C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030650320	0	54	0.0	-68.27	402.25	4.67	-63.60
CC(CC[NH+](C)C)C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650342	0	54	0.0	-61.54	413.43	4.93	-56.61
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650438	0	55	0.0	-61.87	415.43	5.05	-56.82
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650438	1	55	0.0	-61.87	415.43	5.05	-56.82
C[NH+](C)CCCCCC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650443	0	57	0.0	-69.10	436.85	5.80	-63.30
O=C(CC[NH+]1CCC(O)CC1)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650447	0	56	0.0	-67.53	427.43	2.26	-65.27
CCC[N@@H+]1CCCCC1C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650450	0	58	0.0	-58.20	421.54	5.60	-52.60
CCC[N@H+]1CCCCC1C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650450	1	58	0.0	-58.20	421.54	5.60	-52.60
CN1CCN(CC(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030650459	0	54	0.0	-63.75	408.93	2.31	-61.44
C[NH+]1CCN(CC(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030650459	1	54	0.0	-63.75	408.93	2.31	-61.44
CC1CN(C)CC(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300030650550	0	53	0.0	-88.27	390.66	3.08	-85.19
CC1C[N@H+](C)CC(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300030650550	1	53	0.0	-74.30	396.69	3.30	-71.00
CC1C[N@@H+](C)CC(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300030650550	1	53	0.0	-74.30	396.69	3.30	-71.00
CCC1CCC[N@H+](CC(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030650580	0	58	0.0	-73.25	426.02	5.73	-67.52
CCC1CCC[N@@H+](CC(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030650580	1	58	0.0	-73.25	426.02	5.73	-67.52
O=C(CC1([NH+]2CCCC2)CC1)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650615	0	56	0.0	-71.23	408.14	5.36	-65.87
C[N@@H+]1CCCCC1C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650647	0	52	0.0	-59.44	383.89	4.48	-54.96
C[N@@H+]1CCC(=CC(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030650747	0	50	0.0	-69.03	388.31	4.39	-64.64
C[N@H+]1CCC(=CC(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030650747	1	50	0.0	-69.03	388.31	4.39	-64.64
O=C(CNC1=CC=[NH+]C=C1)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650752	0	48	0.0	-66.24	385.69	2.12	-64.12
O=C(C=C1C[NH+]2CCC1CC2)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650802	0	54	0.0	-62.31	405.23	5.26	-57.05
C[N@H+](CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CCC[C@H]1O	REAL300030650841	0	56	0.0	-61.61	423.92	2.59	-59.02
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650858	0	49	0.0	-62.06	376.33	4.22	-57.84
C[N@H+]1CCC[C@H]1C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650858	1	49	0.0	-57.49	369.86	3.97	-53.52
CCN1CCOCC1CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650886	0	56	0.0	-69.47	416.99	3.71	-65.76
CC[N@@H+]1CCOCC1CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650886	1	56	0.0	-70.27	415.97	3.57	-66.70
CC[N@H+]1CCOCC1CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650886	1	56	0.0	-70.27	415.97	3.57	-66.70
NC1=NC2=CC(C(=O)N3CCCC3C3(NC(=O)C4=CC(=O)[N-]O4)CC3)=CC=C2N1	REAL300030650962	0	49	0.0	-71.31	378.12	3.86	-67.45
NC1=[NH+]C2=CC(C(=O)N3CCCC3C3(NC(=O)C4=CC(=O)[N-]O4)CC3)=CC=C2N1	REAL300030650962	1	49	0.0	-71.31	378.12	3.86	-67.45
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030650995	0	52	0.0	-59.16	401.95	4.90	-54.26
C[NH+](C)C1CCC(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030651009	0	58	0.0	-79.61	418.87	5.15	-74.46
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030651011	0	58	0.0	-67.26	418.29	5.31	-61.95
C[N@@H+]1CC=CCC1CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030651012	0	53	0.0	-65.97	403.72	5.26	-60.71
C[N@H+]1CC=CCC1CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030651012	1	53	0.0	-65.97	403.72	5.26	-60.71
CC1=CC(C=CC(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)=CN=C1N	REAL300030651059	0	52	0.0	-69.46	416.55	4.14	-65.32
CC1=CC(C=CC(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)=C[NH+]=C1N	REAL300030651059	1	52	0.0	-69.46	416.55	4.14	-65.32
C[NH+](C)CCOCC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030651071	0	52	0.0	-63.86	405.86	3.86	-60.00
CCCCC[N@H+](C)CCC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030651077	0	60	0.0	-67.02	457.39	6.75	-60.27
CCCCC[N@@H+](C)CCC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030651077	1	60	0.0	-67.02	457.39	6.75	-60.27
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300030651087	0	56	0.0	-67.86	425.36	4.89	-62.97
[NH2+]=C1SC=CN1CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030651105	0	45	0.0	-60.99	379.95	3.40	-57.59
C[C@@H](OCC[NH+](C)C)C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030651167	0	55	0.0	-67.13	423.97	4.71	-62.42
O=C(CC[NH+]1CCCCCC1)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030651201	0	58	0.0	-65.52	426.82	5.83	-59.69
O=C(C[NH+]1CCCCC1)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030651205	0	52	0.0	-64.65	391.63	4.71	-59.94
C[N@@H+]1CCCC(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030651207	0	52	0.0	-59.38	384.38	4.50	-54.88
C[N@H+]1CCCC(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030651207	1	52	0.0	-50.57	388.86	5.13	-45.44
O=C(C[NH+]1CCC(CO)CC1)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030651208	0	56	0.0	-66.49	423.32	2.02	-64.47
O=C(C[NH+]1CCCCCC1)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030651211	0	55	0.0	-63.44	400.87	4.89	-58.55
CN1C=C[N+](CC(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030651216	0	47	0.0	-69.22	375.74	6.17	-63.05
C[NH+](C)CC1=CC=C(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300030651231	1	52	0.0	-73.74	410.25	4.61	-69.13
C[NH+](C)CC1=CC=C(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C=N1	REAL300030651236	0	54	0.0	-71.53	419.09	4.00	-67.53
O=C(C[NH+]1CCC(O)CC1)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030651247	1	53	0.0	-66.10	405.60	1.70	-64.40
C[N@@H+](CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300030651252	1	49	0.0	-60.46	382.21	4.60	-55.86
CC(C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1)N1CC[NH+](C)CC1	REAL300030651254	1	57	0.0	-59.41	428.76	3.12	-56.29
O=C(CC[N@@H+]1CCC(F)C1)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030651257	1	52	0.0	-68.66	406.95	5.14	-63.52
CC(CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300030651281	0	54	0.0	-66.97	407.17	4.89	-62.08
O=C(NC1(C2CCCN2C(=O)C2CC[N@@H+]3CCOCC23)CC1)C1=CC(=O)[N-]O1	REAL300030651296	0	54	0.0	-63.97	405.42	3.43	-60.54
O=C(NC1(C2CCCN2C(=O)C2CC[N@H+]3CCOCC23)CC1)C1=CC(=O)[N-]O1	REAL300030651296	1	54	0.0	-71.66	407.70	3.48	-68.18
CC1=[NH+]C=C2C=CC(C(=O)N3CCCC3C3(NC(=O)C4=CC(=O)[N-]O4)CC3)=CN21	REAL300030651301	0	50	0.0	-68.39	385.16	5.88	-62.51
CN1CCOCC1CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030651318	0	53	0.0	-66.13	388.25	2.30	-63.83
C[N@@H+]1CCOCC1CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030651318	1	53	0.0	-53.82	395.95	2.89	-50.93
C[N@H+]1CCOCC1CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030651318	1	53	0.0	-66.13	388.25	2.30	-63.83
CC[NH+]1CCN(CC(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030651324	0	57	0.0	-63.03	426.17	2.95	-60.08
CC1=CC(N)=[NH+]C=C1C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030651367	1	48	0.0	-64.66	381.06	2.44	-62.22
NC1=CC=C(CCC(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C=[NH+]1	REAL300030651370	0	51	0.0	-64.41	408.92	3.36	-61.05
CC1(O)CC[N@@H+](CC(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030651404	1	53	0.0	-63.36	408.68	1.58	-61.78
C[NH+]1CC(CC(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030651437	0	49	0.0	-67.15	384.24	4.03	-63.12
O=C(NC1(C2CCCN2C(=O)C2CC[N@H+]2C2CCCC2)CC1)C1=CC(=O)[N-]O1	REAL300030651442	1	56	0.0	-66.79	422.71	5.91	-60.88
C[NH+](C)CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030651450	0	45	0.0	-65.60	349.99	2.85	-62.75
C[N@H+](CCO)CCC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030651477	0	52	0.0	-66.76	403.25	1.22	-65.54
C[N@@H+](CCO)CCC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030651477	1	52	0.0	-67.20	400.40	0.88	-66.32
C[C@@H](C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030651478	0	48	0.0	-60.40	369.09	3.53	-56.87
C[N@@H+]1CCCCC1CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030651496	0	55	0.0	-76.24	404.11	4.85	-71.39
C[N@H+]1CCCCC1CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030651496	1	55	0.0	-63.06	396.83	4.69	-58.37
CC1=C2C=C(C(=O)N3CCCC3C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300030651515	1	50	0.0	-74.58	385.95	6.69	-67.89
CC(C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CC(C)C1	REAL300030651516	0	52	0.0	-71.25	388.04	4.03	-67.22
CC1CCN1CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030651519	0	49	0.0	-62.41	381.26	3.91	-58.50
CC1CC[N@@H+]1CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030651519	1	49	0.0	-62.73	375.75	3.66	-59.07
CC1CC[N@H+]1CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030651519	1	49	0.0	-62.41	381.26	3.91	-58.50
C[NH+](C)CC=CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030651530	0	49	0.0	-66.81	385.46	4.04	-62.77
CC1(C)C[NH+](CC(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030651542	1	52	0.0	-63.65	400.32	4.44	-59.21
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300030651560	1	53	0.0	-59.38	423.03	4.49	-54.89
CC1=C2C=C(C(=O)N3CCCC3C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300030651570	1	50	0.0	-74.58	385.95	6.69	-67.89
C[NH+](C)CCSCC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030651579	0	52	0.0	-72.70	416.88	4.84	-67.86
O=C(C[N@@H+]1CCCC1CO)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030651603	1	53	0.0	-61.97	406.02	1.82	-60.15
CC[NH+](CC)CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030651607	0	51	0.0	-64.27	381.23	3.94	-60.33
C[N@@H+](CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1)C1CCSC1	REAL300030651618	1	53	0.0	-77.31	404.31	4.86	-72.45
O=C(C[NH+]1CCC1)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030651620	1	46	0.0	-63.23	363.17	3.68	-59.55
CC[NH+](CC)CCC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030651659	0	54	0.0	-66.28	403.65	4.52	-61.76
C[NH+](C)CC1=CNC(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030651714	0	53	0.0	-74.58	400.45	4.51	-70.07
CC(C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC(O)CC1	REAL300030651729	0	56	0.0	-67.06	422.27	2.06	-65.00
O=C(NC1(C2CCCN2C(=O)C2CC3COCC[N@@H+]3C2)CC1)C1=CC(=O)[N-]O1	REAL300030651734	0	54	0.0	-62.08	409.43	3.45	-58.63
O=C(NC1(C2CCCN2C(=O)C2CC3COCC[N@H+]3C2)CC1)C1=CC(=O)[N-]O1	REAL300030651734	1	54	0.0	-61.78	409.31	3.60	-58.18
CC(C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC1	REAL300030651747	1	49	0.0	-62.90	374.30	3.65	-59.25
CCC(CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300030651754	0	57	0.0	-67.49	420.90	5.35	-62.14
NC1=CC=C(C=CC(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C=[NH+]1	REAL300030651759	0	49	0.0	-70.39	398.75	3.39	-67.00
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030651811	1	52	0.0	-64.29	393.38	4.77	-59.52
CC1CN2CC[N@H+]1CC2C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030651824	1	55	0.0	-75.06	401.80	1.84	-73.22
C[NH+](C)CC(O)CC(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030651844	0	52	0.0	-70.26	402.69	1.81	-68.45
C[NH+]1C2CCC1CC(C(=O)N1CCCC1C1(NC(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300030651847	0	56	0.0	-59.69	366.21	5.36	-54.33
C=CCC(C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030651879	0	52	0.0	-66.79	396.74	4.75	-62.04
O=C(NC1(C2CCCN2C(=O)C2CC3CCCC[N@@H+]3C2)CC1)C1=CC(=O)[N-]O1	REAL300030651886	0	56	0.0	-63.61	416.54	5.75	-57.86
O=C(NC1(C2CCCN2C(=O)C2CC3CCCC[N@H+]3C2)CC1)C1=CC(=O)[N-]O1	REAL300030651886	1	56	0.0	-77.19	408.61	5.14	-72.05
C[NH+]1CCC(O)(CC(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030651895	0	56	0.0	-68.49	412.76	3.01	-65.48
CC1=C2C=C(C(=O)NC3(C4CCCN4C(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300030651968	1	50	0.0	-70.95	398.97	6.82	-64.13
C[NH+](C)CCSCC(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030651976	0	52	0.0	-73.43	413.52	4.67	-68.76
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2COCC[N@@H+]2C1	REAL300030651983	0	54	0.0	-62.13	409.29	3.61	-58.52
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2COCC[N@H+]2C1	REAL300030651983	1	54	0.0	-67.60	405.21	3.09	-64.51
C[N@@H+]1CCCC1C(=O)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030652091	0	56	0.0	-70.65	411.86	2.04	-68.61
C[N@H+]1CCCC1C(=O)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030652091	1	56	0.0	-72.60	419.84	2.38	-70.22
CCC(C(=O)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030652200	0	58	0.0	-69.89	423.84	2.56	-67.33
CCC[N@H+](C)CC(=O)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030652205	0	58	0.0	-74.37	432.10	2.90	-71.47
CCC[N@@H+](C)CC(=O)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030652205	1	58	0.0	-71.89	433.73	2.88	-69.01
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030652213	0	56	0.0	-70.14	413.50	2.00	-68.14
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030652213	1	56	0.0	-72.21	414.02	2.19	-70.02
CC[NH+](CC)CC(=O)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030652218	0	58	0.0	-73.05	426.06	2.55	-70.50
CC[N@H+](C)CCC(=O)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030652277	0	58	0.0	-77.03	434.56	2.74	-74.29
CC[N@@H+](C)CCC(=O)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030652277	1	58	0.0	-73.70	432.86	2.75	-70.95
CC[C@@H](C(=O)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030652280	0	58	0.0	-70.44	417.11	2.30	-68.14
C[NH+](C)CC(=O)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030652298	0	52	0.0	-72.36	394.50	1.47	-70.89
CC(C(=O)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+]1CCC1	REAL300030652302	0	56	0.0	-72.87	423.05	2.42	-70.45
C[N@H+](CC(=O)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC1	REAL300030652309	0	56	0.0	-68.80	423.80	2.88	-65.92
C[N@@H+](CC(=O)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC1	REAL300030652309	1	56	0.0	-69.60	423.92	2.88	-66.72
C[NH+]1CC(CC(=O)N2CCC(C3(O)CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030652315	0	56	0.0	-76.83	425.76	2.35	-74.48
C[C@@H](C(=O)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030652323	0	55	0.0	-72.65	409.48	1.89	-70.76
C[C@@H](C(=O)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030652345	0	55	0.0	-72.65	409.48	1.89	-70.76
O=C(C[NH+]1CCC1)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030652364	1	53	0.0	-74.62	402.87	1.91	-72.71
C[C@H](C(=O)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030652375	0	55	0.0	-72.20	408.79	1.82	-70.38
CC1C[NH+](CC(=O)N2CCC(C3(O)CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030652383	1	56	0.0	-75.17	425.68	2.56	-72.61
C[N@H+](CCO)CC(=O)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030652394	1	56	0.0	-72.85	422.59	-1.10	-73.95
C[N@@H+](CCO)CC(=O)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030652394	1	56	0.0	-71.85	422.33	-1.08	-72.93
CC[N@H+](C)CC(=O)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030652401	0	55	0.0	-71.57	412.23	2.14	-69.43
CC[N@@H+](C)CC(=O)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030652401	1	55	0.0	-71.51	412.24	2.16	-69.35
C[NH+](C)CC=CC(=O)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030652420	0	56	0.0	-77.48	430.77	2.74	-74.74
CC[N@@H+]1CCC1C(=O)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030652426	0	56	0.0	-74.53	425.21	2.38	-72.15
CC[N@H+]1CCC1C(=O)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030652426	1	56	0.0	-72.87	408.41	1.68	-71.19
C[NH+](C)C(C)(C)C(=O)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030652440	0	58	0.0	-77.54	414.82	1.94	-75.60
C[NH+](C)C1(C(=O)N2CCC(C3(O)CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030652465	0	56	0.0	-72.25	412.43	1.87	-70.38
CC(C[NH+](C)C)C(=O)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030652488	0	58	0.0	-76.52	432.13	2.58	-73.94
CC1CC[N@@H+]1CC(=O)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030652500	0	56	0.0	-71.01	425.77	2.56	-68.45
CC1CC[N@H+]1CC(=O)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030652500	1	56	0.0	-70.34	425.80	2.56	-67.78
NC(=[NH2+])SCC(=O)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030652523	0	50	0.0	-77.58	403.00	-1.56	-79.14
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030652555	0	56	0.0	-68.44	417.69	2.39	-66.05
C[N@H+]1CCC[C@H]1C(=O)N1CCC(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030652555	1	56	0.0	-74.29	412.95	2.01	-72.28
C[N@@H+]1CCCC1C(=O)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030652669	0	56	0.0	-74.85	413.62	2.10	-72.75
C[N@H+]1CCCC1C(=O)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030652669	1	56	0.0	-76.68	411.13	1.86	-74.82
CCC(C(=O)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300030652748	0	58	0.0	-75.44	421.49	2.44	-73.00
CCC[N@H+](C)CC(=O)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030652752	0	58	0.0	-77.67	431.84	2.89	-74.78
CCC[N@@H+](C)CC(=O)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030652752	1	58	0.0	-77.58	431.84	2.88	-74.70
CC[N@H+](C)CCC(=O)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030652770	0	58	0.0	-79.23	432.71	2.70	-76.53
CC[N@@H+](C)CCC(=O)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030652770	1	58	0.0	-79.23	432.69	2.72	-76.51
CC[C@@H](C(=O)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300030652813	0	58	0.0	-76.15	421.19	2.35	-73.80
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030652860	0	56	0.0	-77.69	412.98	1.97	-75.72
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030652860	1	56	0.0	-74.38	415.87	2.35	-72.03
C[C@@H](C(=O)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300030652916	0	55	0.0	-76.42	411.14	1.73	-74.69
C[N@H+](CCO)CC(=O)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030652926	1	56	0.0	-78.08	420.70	-1.10	-79.18
C[N@@H+](CCO)CC(=O)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030652926	1	56	0.0	-78.37	420.20	-1.12	-79.49
CC1C[NH+](CC(=O)N2CCC(O)(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030652945	1	56	0.0	-76.93	425.59	2.50	-74.43
CC[N@H+](C)CC(=O)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030652963	0	55	0.0	-77.97	412.19	2.14	-75.83
CC[N@@H+](C)CC(=O)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030652963	1	55	0.0	-77.35	410.37	2.14	-75.21
CC(C[NH+](C)C)C(=O)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030652996	0	58	0.0	-79.36	429.53	2.54	-76.82
C[NH+](C)C1(C(=O)N2CCC(O)(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300030652999	0	56	0.0	-79.73	410.14	2.39	-77.34
C[C@H](C(=O)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300030653003	0	55	0.0	-74.93	410.30	1.71	-73.22
CC[N@@H+]1CCC1C(=O)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030653006	1	56	0.0	-76.64	426.03	2.48	-74.16
CC[N@H+]1CCC1C(=O)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030653006	1	56	0.0	-76.86	423.64	2.44	-74.42
C[NH+](C)C(C)(C)C(=O)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030653015	0	58	0.0	-78.18	410.07	2.26	-75.92
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030653079	0	56	0.0	-74.51	416.32	2.33	-72.18
C[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030653079	1	56	0.0	-76.44	412.96	1.85	-74.59
C[N@H+](CC(=O)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300030653118	0	56	0.0	-75.48	421.93	2.76	-72.72
C[N@@H+](CC(=O)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300030653118	1	56	0.0	-75.08	422.01	2.89	-72.19
C[NH+]1CC(CC(=O)N2CCC(O)(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030653147	0	56	0.0	-80.28	423.96	2.20	-78.08
C[NH+](C)CC(=O)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030653150	0	52	0.0	-78.14	392.61	1.47	-76.67
C[C@@H](C(=O)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300030653153	0	55	0.0	-76.42	411.14	1.73	-74.69
CC1CC[N@@H+]1CC(=O)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030653162	1	56	0.0	-77.33	425.87	2.60	-74.73
CC1CC[N@H+]1CC(=O)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030653162	1	56	0.0	-76.02	420.20	2.27	-73.75
C[NH+](C)CC=CC(=O)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030653163	0	56	0.0	-81.72	427.31	2.55	-79.17
CC[NH+](CC)CC(=O)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030653169	0	58	0.0	-76.17	427.60	2.77	-73.40
O=C(C[NH+]1CCC1)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030653170	1	53	0.0	-78.57	404.57	1.84	-76.73
CC(C(=O)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+]1CCC1	REAL300030653194	1	56	0.0	-77.53	421.76	2.38	-75.15
C[N@@H+]1CCCC1C(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030653398	0	53	0.0	-75.32	400.77	1.40	-73.92
C[N@H+]1CCCC1C(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030653398	1	53	0.0	-73.57	393.76	1.21	-72.36
C[N@@H+]1CCOC(C(=O)N2CCC(C3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030653422	1	54	0.0	-82.78	408.91	0.97	-81.81
C[N@H+]1CCOC(C(=O)N2CCC(C3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030653422	1	54	0.0	-88.86	414.88	1.15	-87.71
CC1=[NH+]C=CN1CC(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030653562	1	51	0.0	-71.63	411.31	2.49	-69.14
C[C@@H]1[C@H](C(=O)N2CCC(C3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@@H+]1C	REAL300030653582	0	56	0.0	-76.14	416.34	2.42	-73.72
C[C@@H]1[C@H](C(=O)N2CCC(C3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@H+]1C	REAL300030653582	1	56	0.0	-77.49	417.22	1.93	-75.56
C[NH+](C)C1(C(=O)N2CCC(C3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CCC1	REAL300030653603	0	56	0.0	-72.85	399.64	1.55	-71.30
CC(C)[C@@H](C(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030653605	0	58	0.0	-73.22	414.58	2.31	-70.91
C[N@H+](CC(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCC1	REAL300030653616	0	56	0.0	-72.92	428.13	2.87	-70.05
C[N@@H+](CC(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CCC1	REAL300030653616	1	56	0.0	-72.87	427.84	2.87	-70.00
C[NH+]1CCC(C(=O)N2CCC(C3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030653643	0	56	0.0	-77.86	425.83	2.46	-75.40
C[N@@H+]1CCCCC1C(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030653650	0	56	0.0	-71.99	411.42	1.94	-70.05
C[N@H+]1CCCCC1C(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030653650	1	56	0.0	-72.84	414.48	2.10	-70.74
CC1=C[NH+]=CN1CC(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030653668	1	51	0.0	-75.22	411.67	3.23	-71.99
C[N@@H+]1CCC(CC(=O)N2CCC(C3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030653678	0	56	0.0	-77.69	428.80	2.53	-75.16
C[N@H+]1CCC(CC(=O)N2CCC(C3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030653678	1	56	0.0	-79.08	428.36	2.54	-76.54
CCC(C(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030653681	0	55	0.0	-72.58	409.99	1.79	-70.79
C[NH+](C)CCCCC(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030653696	0	58	0.0	-78.57	447.28	3.06	-75.51
CC(C)C(C(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030653701	0	58	0.0	-72.58	425.12	2.42	-70.16
CCC[N@H+](C)CCC(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030653702	0	58	0.0	-78.33	443.50	2.89	-75.44
CCC[N@@H+](C)CCC(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030653702	1	58	0.0	-78.21	443.50	2.89	-75.32
CCC[N@H+](C)CC(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030653703	0	55	0.0	-75.38	420.98	2.31	-73.07
CCC[N@@H+](C)CC(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030653703	1	55	0.0	-75.41	421.15	2.29	-73.12
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030653718	0	53	0.0	-71.09	399.94	1.42	-69.67
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030653718	1	53	0.0	-69.85	397.72	1.52	-68.33
CC[NH+](CC)CC(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030653730	0	55	0.0	-73.69	417.70	2.23	-71.46
C[NH+](C)CC1(C(=O)N2CCC(C3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030653785	0	56	0.0	-70.26	430.22	2.49	-67.77
C[NH+]1CCC(C(=O)N2CCC(C3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030653811	0	56	0.0	-77.86	425.83	2.46	-75.40
CC(C)[C@H](C(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030653826	0	58	0.0	-75.78	429.98	2.40	-73.38
CC[N@H+](C)CCC(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030653861	0	55	0.0	-77.56	422.00	2.15	-75.41
CC[N@@H+](C)CCC(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030653861	1	55	0.0	-77.54	422.00	2.14	-75.40
CC1CCC[N@@H+]1CC(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030653872	0	56	0.0	-71.78	420.41	2.26	-69.52
CC1CCC[N@H+]1CC(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030653872	1	56	0.0	-72.65	427.09	2.65	-70.00
CC1CC[N@H+](CC(=O)N2CCC(C3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030653873	0	56	0.0	-73.02	420.56	2.44	-70.58
CC1CC[N@@H+](CC(=O)N2CCC(C3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030653873	1	56	0.0	-72.55	421.05	2.41	-70.14
CC[C@@H](C(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030653876	0	55	0.0	-70.14	409.45	1.77	-68.37
C[NH+](C)CC(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030653915	0	49	0.0	-74.08	375.28	0.68	-73.40
CN1C=C[N+](CC(=O)N2CCC(C3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=C1	REAL300030653916	0	51	0.0	-72.10	406.52	4.19	-67.91
C[N@@H+]1CCCC(C(=O)N2CCC(C3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030653919	0	56	0.0	-76.20	425.17	2.39	-73.81
C[N@H+]1CCCC(C(=O)N2CCC(C3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030653919	1	56	0.0	-80.67	426.02	2.41	-78.26
CC(C(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+]1CCC1	REAL300030653927	0	53	0.0	-69.10	403.92	1.62	-67.48
C[NH+](C)CC(C)(C)C(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030653930	0	58	0.0	-77.60	414.92	2.05	-75.55
C[N@H+](CC(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC1	REAL300030653937	0	53	0.0	-72.14	411.20	2.29	-69.85
C[N@@H+](CC(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC1	REAL300030653937	1	53	0.0	-73.00	411.33	2.29	-70.71
C[NH+]1CC(CC(=O)N2CCC(C3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030653948	0	53	0.0	-77.44	413.20	1.75	-75.69
C[C@@H](C(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030653961	0	52	0.0	-72.18	392.00	1.09	-71.09
C[N@H+](CCO)CCC(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030654001	0	56	0.0	-76.97	432.36	-1.07	-78.04
C[N@@H+](CCO)CCC(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030654001	1	56	0.0	-74.27	432.57	-1.09	-75.36
C[C@@H](C(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030654002	0	52	0.0	-72.18	392.00	1.09	-71.09
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030654005	0	56	0.0	-70.10	411.36	2.02	-68.08
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030654005	1	56	0.0	-68.49	421.52	2.49	-66.00
O=C(C[NH+]1CCC1)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030654032	1	50	0.0	-73.73	385.38	1.10	-72.63
C[N@@H+]1CCC(=CC(=O)N2CCC(C3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030654042	0	54	0.0	-79.21	419.82	2.44	-76.77
C[N@H+]1CCC(=CC(=O)N2CCC(C3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030654042	1	54	0.0	-77.40	418.67	2.50	-74.90
C[NH+](C)CCOCC(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030654052	0	56	0.0	-72.58	431.14	1.82	-70.76
C[C@H](C(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030654063	0	52	0.0	-70.15	397.42	1.19	-68.96
CC1C[NH+](CC(=O)N2CCC(C3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030654080	1	53	0.0	-73.99	406.58	1.77	-72.22
C[N@H+](CCO)CC(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030654093	1	53	0.0	-75.75	409.80	-1.69	-77.44
C[N@@H+](CCO)CC(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030654093	1	53	0.0	-76.06	409.63	-1.67	-77.73
CC(CC(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C[NH+](C)C	REAL300030654105	0	58	0.0	-75.75	432.47	2.74	-73.01
CC[N@H+](C)CC(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030654107	0	52	0.0	-75.11	399.48	1.57	-73.54
CC[N@@H+](C)CC(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030654107	1	52	0.0	-75.12	399.65	1.55	-73.57
CC[N@H+](CC(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC1	REAL300030654117	0	56	0.0	-71.51	430.50	2.91	-68.60
CC[N@@H+](CC(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1CC1	REAL300030654117	1	56	0.0	-73.64	423.26	2.80	-70.84
CC[NH+](CC)CCC(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030654123	0	58	0.0	-76.62	439.86	2.85	-73.77
CC1(C)C[NH+](CC(=O)N2CCC(C3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030654131	1	56	0.0	-75.40	432.69	2.51	-72.89
C[NH+](C)CC=CC(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030654139	0	53	0.0	-80.51	416.76	2.08	-78.43
COCC[N@H+](C)CC(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030654148	1	56	0.0	-75.90	431.88	0.73	-75.17
COCC[N@@H+](C)CC(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030654148	1	56	0.0	-75.96	432.05	0.71	-75.25
CC(CCC(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030654158	0	58	0.0	-76.07	439.19	2.68	-73.39
CC[N@@H+]1CCC1C(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030654163	0	53	0.0	-72.04	412.68	1.77	-70.27
CC[N@H+]1CCC1C(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030654163	1	53	0.0	-74.18	401.97	1.34	-72.84
C=CCC(C(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030654188	0	56	0.0	-71.79	423.20	2.28	-69.51
O=C(C[NH+]1CC2CC2C1)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030654196	0	54	0.0	-75.34	417.18	2.77	-72.57
CCCC(C(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+](C)C	REAL300030654205	0	58	0.0	-73.61	433.17	2.68	-70.93
C[NH+](C)C(C)(C)C(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030654207	0	55	0.0	-72.30	395.09	1.20	-71.10
C[N@@H+]1CCCCC1C(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030654218	0	56	0.0	-71.99	411.42	1.94	-70.05
C[N@H+]1CCCCC1C(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030654218	1	56	0.0	-72.84	414.48	2.10	-70.74
C[NH+](C)C1(C(=O)N2CCC(C3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030654256	0	53	0.0	-72.74	401.86	1.26	-71.48
O=C(CC[NH+]1CCCC1)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030654257	0	56	0.0	-76.99	430.24	2.66	-74.33
C[N@@H+]1CC2CC1(C(=O)N1CCC(C3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC1)C2	REAL300030654268	0	54	0.0	-77.90	408.97	2.00	-75.90
C[N@H+]1CC2CC1(C(=O)N1CCC(C3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC1)C2	REAL300030654268	1	54	0.0	-75.86	401.86	1.62	-74.24
CC(C[NH+](C)C)C(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030654304	0	55	0.0	-77.87	418.32	1.96	-75.91
CC(C(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)[NH+]1CC(C)C1	REAL300030654327	0	56	0.0	-70.08	424.25	2.16	-67.92
CC1CC[N@@H+]1CC(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030654328	0	53	0.0	-71.59	406.40	1.77	-69.82
CC1CC[N@H+]1CC(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030654328	1	53	0.0	-71.73	401.11	1.49	-70.24
C[NH+](C)CC(O)CC(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030654330	0	56	0.0	-78.75	427.89	-0.25	-79.00
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(C3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030654360	0	56	0.0	-72.06	424.22	2.42	-69.64
CC(CC[NH+](C)C)C(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030654361	0	58	0.0	-74.66	440.63	2.60	-72.06
NC(=[NH2+])SCC(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030654382	0	47	0.0	-76.03	383.81	-2.36	-78.39
CCC1C[NH+](CC(=O)N2CCC(C3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C1	REAL300030654444	0	56	0.0	-73.58	434.60	2.69	-70.89
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030654448	0	53	0.0	-70.90	399.98	1.53	-69.37
C[N@H+]1CCC[C@H]1C(=O)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030654448	1	53	0.0	-73.48	393.73	1.19	-72.29
O=C(C[NH+]1CCCCC1)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030654455	0	56	0.0	-74.81	423.65	2.75	-72.06
CC1C(C(=O)N2CCC(C3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@@H+]1C	REAL300030654459	0	56	0.0	-71.23	422.75	2.17	-69.06
CC1C(C(=O)N2CCC(C3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC[N@H+]1C	REAL300030654459	1	56	0.0	-74.27	422.28	2.17	-72.10
C[N@@H+]1CCCC1C(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030654639	0	53	0.0	-75.49	405.31	1.63	-73.86
C[N@H+]1CCCC1C(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030654639	1	53	0.0	-69.56	393.09	1.12	-68.44
C[N@@H+]1CCOC(C(=O)N2CC(O)(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030654665	1	54	0.0	-89.68	414.96	1.20	-88.48
C[N@H+]1CCOC(C(=O)N2CC(O)(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030654665	1	54	0.0	-89.16	416.09	1.23	-87.93
C[N@@H+]1CCC(CC(=O)N2CC(O)(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030654816	0	56	0.0	-79.63	427.00	2.47	-77.16
C[N@H+]1CCC(CC(=O)N2CC(O)(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030654816	1	56	0.0	-81.96	427.63	2.48	-79.48
CCC(C(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300030654819	0	55	0.0	-73.64	407.61	1.66	-71.98
C[NH+](C)CCCCC(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030654830	0	58	0.0	-73.09	439.53	2.80	-70.29
CC(C)C(C(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300030654836	0	58	0.0	-68.23	414.81	2.73	-65.50
CCC[N@H+](C)CCC(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030654837	0	58	0.0	-79.38	442.59	2.84	-76.54
CCC[N@@H+](C)CCC(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030654837	1	58	0.0	-79.24	442.59	2.85	-76.39
CCC[N@H+](C)CC(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030654838	0	55	0.0	-77.07	420.20	2.29	-74.78
CCC[N@@H+](C)CC(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030654838	1	55	0.0	-77.27	420.20	2.29	-74.98
C[NH+](C)CC1(C(=O)N2CC(O)(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300030654877	0	56	0.0	-82.27	429.88	2.50	-79.77
CC[N@H+](C)CCC(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030654884	0	55	0.0	-71.65	414.27	1.89	-69.76
CC[N@@H+](C)CCC(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030654884	1	55	0.0	-78.50	421.09	2.11	-76.39
C[NH+]1CCC(C(=O)N2CC(O)(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300030654910	0	56	0.0	-80.75	420.95	2.31	-78.44
CC(C)[C@H](C(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300030654925	0	58	0.0	-77.93	422.76	2.78	-75.15
C[NH+](C)C1(C(=O)N2CC(O)(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CCC1	REAL300030654953	0	56	0.0	-69.83	404.95	1.82	-68.01
CC1CCC[N@@H+]1CC(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030654978	0	56	0.0	-74.10	426.38	2.67	-71.43
CC1CCC[N@H+]1CC(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030654978	1	56	0.0	-75.54	419.39	2.12	-73.42
CC(C)[C@@H](C(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300030654992	0	58	0.0	-68.44	419.69	2.58	-65.86
CC1CC[N@H+](CC(=O)N2CC(O)(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030655000	0	56	0.0	-77.77	426.90	2.41	-75.36
CC1CC[N@@H+](CC(=O)N2CC(O)(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030655000	1	56	0.0	-69.63	419.68	2.41	-67.22
CC[C@@H](C(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300030655003	0	55	0.0	-77.10	412.42	1.90	-75.20
CC1=[NH+]C=CN1CC(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655045	1	51	0.0	-73.88	409.36	2.45	-71.43
CC1=C[NH+]=CN1CC(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655064	1	51	0.0	-77.07	409.67	3.19	-73.88
C[C@@H]1[C@H](C(=O)N2CC(O)(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@@H+]1C	REAL300030655065	0	56	0.0	-71.55	407.49	2.05	-69.50
C[C@@H]1[C@H](C(=O)N2CC(O)(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@H+]1C	REAL300030655065	1	56	0.0	-80.67	423.48	2.11	-78.56
C[N@H+](CC(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CCC1	REAL300030655098	0	56	0.0	-75.03	427.12	2.87	-72.16
C[N@@H+](CC(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CCC1	REAL300030655098	1	56	0.0	-75.32	427.21	2.87	-72.45
C[NH+]1CCC(C(=O)N2CC(O)(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300030655105	0	56	0.0	-80.75	420.95	2.31	-78.44
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655118	0	53	0.0	-76.29	400.13	1.36	-74.93
C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655118	1	53	0.0	-75.65	406.40	1.72	-73.93
C[N@@H+]1CCCCC1C(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655162	0	56	0.0	-72.96	422.57	2.39	-70.57
C[N@H+]1CCCCC1C(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655162	1	56	0.0	-67.51	405.27	1.79	-65.72
CC1C(C(=O)N2CC(O)(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@@H+]1C	REAL300030655191	0	56	0.0	-70.24	412.78	1.74	-68.50
CC1C(C(=O)N2CC(O)(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC[N@H+]1C	REAL300030655191	1	56	0.0	-78.32	422.45	2.52	-75.80
C[C@@H](C(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300030655233	0	52	0.0	-77.00	398.69	1.24	-75.76
O=C(CC[NH+]1CCCC1)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655251	0	56	0.0	-78.02	429.32	2.62	-75.40
C[N@H+](CCO)CC(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655256	1	53	0.0	-78.00	409.05	-1.68	-79.68
C[N@@H+](CCO)CC(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655256	1	53	0.0	-77.40	409.11	-1.69	-79.09
CC1C[NH+](CC(=O)N2CC(O)(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030655307	1	53	0.0	-78.77	412.21	1.97	-76.80
CC[N@H+](C)CC(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655342	0	52	0.0	-76.77	398.70	1.55	-75.22
CC[N@@H+](C)CC(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655342	1	52	0.0	-76.80	398.71	1.54	-75.26
COCC[N@H+](C)CC(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655395	1	56	0.0	-77.11	431.36	0.70	-76.41
COCC[N@@H+](C)CC(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655395	1	56	0.0	-78.08	431.30	0.72	-77.36
CC(CCC(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300030655397	0	58	0.0	-73.06	427.34	2.27	-70.79
CC[N@H+](CC(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300030655402	0	56	0.0	-75.28	421.77	2.35	-72.93
CC[N@@H+](CC(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300030655402	1	56	0.0	-75.26	422.04	2.64	-72.62
C[N@@H+]1CC2CC1(C(=O)N1CC(O)(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C1)C2	REAL300030655415	0	54	0.0	-84.02	406.11	2.00	-82.02
C[N@H+]1CC2CC1(C(=O)N1CC(O)(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C1)C2	REAL300030655415	1	54	0.0	-81.31	404.37	2.00	-79.31
CC(C[NH+](C)C)C(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655424	0	55	0.0	-71.84	409.95	1.71	-70.13
C[NH+](C)C1(C(=O)N2CC(O)(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)CC1	REAL300030655430	0	53	0.0	-84.05	403.50	1.49	-82.56
C[C@H](C(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300030655441	0	52	0.0	-77.84	399.43	1.21	-76.63
CC[N@@H+]1CCC1C(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655444	1	53	0.0	-68.25	396.44	1.02	-67.23
CC[N@H+]1CCC1C(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655444	1	53	0.0	-76.77	412.63	1.85	-74.92
NC1=CC=[NH+]C=C1C(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655460	0	49	0.0	-82.04	388.23	-1.06	-83.10
CCCC(C(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300030655464	0	58	0.0	-68.90	428.13	2.45	-66.45
C[NH+](C)C(C)(C)C(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655467	0	55	0.0	-77.89	399.79	2.13	-75.76
CC(CC[NH+](C)C)C(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655476	0	58	0.0	-72.43	431.59	2.32	-70.11
O=C(C[NH+]1CC2CC2C1)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655539	0	54	0.0	-76.95	416.44	2.76	-74.19
C[N@@H+]1CCCCC1C(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655550	0	56	0.0	-72.96	422.57	2.39	-70.57
C[N@H+]1CCCCC1C(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655550	1	56	0.0	-67.51	405.27	1.79	-65.72
C[N@@H+]1CCC(=CC(=O)N2CC(O)(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030655578	0	54	0.0	-80.85	418.72	2.42	-78.43
C[N@H+]1CCC(=CC(=O)N2CC(O)(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030655578	1	54	0.0	-74.99	413.02	2.19	-72.80
CCC1C[NH+](CC(=O)N2CC(O)(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030655602	1	56	0.0	-79.83	433.37	2.70	-77.13
C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655607	0	53	0.0	-75.29	403.34	1.58	-73.71
C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655607	1	53	0.0	-74.93	399.82	1.32	-73.61
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(O)(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030655651	0	56	0.0	-71.84	423.63	2.27	-69.57
C[NH+](C)CCOCC(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655669	0	56	0.0	-71.02	429.76	1.78	-69.24
O=C(C[NH+]1CCCCC1)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655704	0	56	0.0	-78.05	423.02	2.74	-75.31
C[N@@H+]1CCCC(C(=O)N2CC(O)(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030655705	0	56	0.0	-77.88	423.28	2.30	-75.58
C[N@H+]1CCCC(C(=O)N2CC(O)(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030655705	1	56	0.0	-82.97	416.97	2.30	-80.67
CN1C=C[N+](CC(=O)N2CC(O)(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)=C1	REAL300030655706	0	51	0.0	-75.39	412.23	4.40	-70.99
C[N@H+](CC(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300030655716	0	53	0.0	-74.19	410.27	2.30	-71.89
C[N@@H+](CC(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C1CC1	REAL300030655716	1	53	0.0	-74.80	410.41	2.30	-72.50
CC(CC(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)C[NH+](C)C	REAL300030655724	0	58	0.0	-79.07	438.18	2.89	-76.18
C[NH+]1CC(CC(=O)N2CC(O)(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030655775	0	53	0.0	-72.38	405.64	1.49	-70.89
C[NH+](C)CC(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655782	0	49	0.0	-77.62	380.99	0.88	-76.74
C[N@H+](CCO)CCC(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655792	0	56	0.0	-78.17	431.44	-1.11	-79.28
C[N@@H+](CCO)CCC(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655792	1	56	0.0	-78.33	431.48	-1.18	-79.51
C[C@@H](C(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300030655793	0	52	0.0	-77.00	398.69	1.24	-75.76
CC(C(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+]1CC(C)C1	REAL300030655807	1	56	0.0	-77.06	432.08	2.46	-74.60
CC1CC[N@@H+]1CC(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655808	1	53	0.0	-74.49	407.00	1.68	-72.81
CC1CC[N@H+]1CC(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655808	1	53	0.0	-67.23	405.43	1.66	-65.57
C[NH+](C)CC=CC(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655810	0	53	0.0	-74.80	409.89	1.87	-72.93
CC1(C)C[NH+](CC(=O)N2CC(O)(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C1	REAL300030655814	1	56	0.0	-78.82	431.88	2.50	-76.32
CC[NH+](CC)CC(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655831	0	55	0.0	-68.22	405.60	1.63	-66.59
O=C(C[NH+]1CCC1)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655836	1	50	0.0	-79.27	389.92	1.19	-78.08
CC[NH+](CC)CCC(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655856	0	58	0.0	-70.78	427.76	2.30	-68.48
CC(C(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+]1CCC1	REAL300030655887	1	53	0.0	-73.62	411.48	1.84	-71.78
C[NH+](C)CC(C)(C)C(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655891	0	58	0.0	-77.58	424.40	2.07	-75.51
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655912	0	56	0.0	-76.55	411.36	2.06	-74.49
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655912	1	56	0.0	-74.39	423.04	2.38	-72.01
C[NH+](C)CC(O)CC(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655922	0	56	0.0	-82.05	433.43	-0.05	-82.10
C=CCC(C(=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1)[NH+](C)C	REAL300030655934	0	56	0.0	-73.85	423.14	2.30	-71.55
C[N@@H+]1CCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F	REAL300030656117	0	51	0.0	-72.64	388.44	4.37	-68.27
C[N@H+]1CCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F	REAL300030656117	1	51	0.0	-57.03	387.56	3.72	-53.31
CC1=[NH+]C=CN1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F	REAL300030656246	1	49	0.0	-56.09	389.84	4.24	-51.85
CC1=C[NH+]=CN1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F	REAL300030656312	1	49	0.0	-59.84	390.96	5.02	-54.82
CCC(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F)[NH+](C)C	REAL300030656321	0	53	0.0	-55.80	389.79	3.64	-52.16
CCC[N@H+](C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F	REAL300030656334	0	53	0.0	-57.24	399.63	4.04	-53.20
CCC[N@@H+](C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F	REAL300030656334	1	53	0.0	-57.22	399.65	4.04	-53.18
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F	REAL300030656345	0	51	0.0	-71.48	381.19	3.89	-67.59
C[N@H+]1CCC[C@@H]1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F	REAL300030656345	1	51	0.0	-79.40	388.75	4.10	-75.30
CC[NH+](CC)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F	REAL300030656355	0	53	0.0	-57.67	396.91	4.01	-53.66
CC[N@H+](C)CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F	REAL300030656451	0	53	0.0	-61.22	401.29	3.88	-57.34
CC[N@@H+](C)CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F	REAL300030656451	1	53	0.0	-61.23	401.29	3.89	-57.34
CC[C@@H](C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F)[NH+](C)C	REAL300030656457	0	53	0.0	-71.65	389.88	4.50	-67.15
C[NH+](C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F	REAL300030656486	0	47	0.0	-59.94	361.20	2.68	-57.26
CN1C=C[N+](CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2(F)F)=C1	REAL300030656487	0	49	0.0	-56.91	391.64	6.13	-50.78
CC(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F)[NH+]1CCC1	REAL300030656495	1	51	0.0	-71.54	391.31	4.32	-67.22
C[N@H+](CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F)C1CC1	REAL300030656503	0	51	0.0	-56.85	390.46	4.08	-52.77
C[N@@H+](CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F)C1CC1	REAL300030656503	1	51	0.0	-57.04	390.60	4.09	-52.95
C[NH+]1CC(CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2(F)F)C1	REAL300030656512	0	51	0.0	-62.06	392.63	3.50	-58.56
C[C@@H](C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F)[NH+](C)C	REAL300030656521	0	50	0.0	-75.13	379.36	3.75	-71.38
C[C@@H](C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F)[NH+](C)C	REAL300030656552	0	50	0.0	-75.13	379.36	3.75	-71.38
O=C(C[NH+]1CCC1)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F	REAL300030656578	1	48	0.0	-59.51	371.30	3.09	-56.42
C[N@@H+]1CCC(=CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2(F)F)C1	REAL300030656585	0	52	0.0	-81.01	399.45	4.91	-76.10
C[N@H+]1CCC(=CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2(F)F)C1	REAL300030656585	1	52	0.0	-81.03	400.84	4.97	-76.06
C[C@H](C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F)[NH+](C)C	REAL300030656599	0	50	0.0	-58.19	379.36	3.10	-55.09
CC1C[NH+](CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2(F)F)C1	REAL300030656611	1	51	0.0	-76.04	391.17	4.50	-71.54
C[N@H+](CCO)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F	REAL300030656622	1	51	0.0	-59.62	389.27	0.11	-59.51
C[N@@H+](CCO)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F	REAL300030656622	1	51	0.0	-57.33	388.32	0.06	-57.27
CC[N@H+](C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F	REAL300030656634	0	50	0.0	-56.90	378.14	3.30	-53.60
CC[N@@H+](C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F	REAL300030656634	1	50	0.0	-56.89	378.14	3.30	-53.59
C[NH+](C)CC=CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F	REAL300030656658	0	51	0.0	-63.34	396.37	3.83	-59.51
CC[N@@H+]1CCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F	REAL300030656671	1	51	0.0	-55.03	385.42	3.39	-51.64
CC[N@H+]1CCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F	REAL300030656671	1	51	0.0	-81.75	394.08	4.06	-77.69
O=C(C[NH+]1CC2CC2C1)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F	REAL300030656691	0	52	0.0	-56.55	395.74	4.50	-52.05
C[NH+](C)C(C)(C)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F	REAL300030656696	0	53	0.0	-56.94	388.66	3.84	-53.10
C[NH+](C)C1(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2(F)F)CC1	REAL300030656731	0	51	0.0	-79.04	384.62	4.56	-74.48
C[N@@H+]1CC2CC1(C(=O)NCC1CCN(C(=O)C3=CC(=O)[N-]O3)CCC1(F)F)C2	REAL300030656740	0	52	0.0	-56.29	393.17	3.87	-52.42
C[N@H+]1CC2CC1(C(=O)NCC1CCN(C(=O)C3=CC(=O)[N-]O3)CCC1(F)F)C2	REAL300030656740	1	52	0.0	-81.55	395.05	4.60	-76.95
CC(C[NH+](C)C)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F	REAL300030656771	0	53	0.0	-55.87	398.08	3.96	-51.91
CC1CC[N@@H+]1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F	REAL300030656787	1	51	0.0	-55.58	386.19	3.44	-52.14
CC1CC[N@H+]1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F	REAL300030656787	1	51	0.0	-82.15	393.01	4.07	-78.08
NC(=[NH2+])SCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F	REAL300030656821	0	45	0.0	-60.73	369.72	-0.45	-61.18
C[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F	REAL300030656868	0	51	0.0	-73.60	388.05	4.46	-69.14
C[N@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F	REAL300030656868	1	51	0.0	-77.65	383.01	3.94	-73.71
C[N@@H+]1CCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(F)(F)CC1	REAL300030657025	0	51	0.0	-68.36	383.34	4.03	-64.33
C[N@H+]1CCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(F)(F)CC1	REAL300030657025	1	51	0.0	-72.98	384.74	4.06	-68.92
CCC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(F)(F)CC1)[NH+](C)C	REAL300030657169	0	53	0.0	-72.78	394.65	3.84	-68.94
CCC[N@H+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(F)(F)CC1	REAL300030657178	0	53	0.0	-76.08	404.74	4.21	-71.87
CCC[N@@H+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(F)(F)CC1	REAL300030657178	1	53	0.0	-72.48	405.79	4.95	-67.53
CC[N@H+](C)CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(F)(F)CC1	REAL300030657210	0	53	0.0	-74.90	406.65	4.82	-70.08
CC[N@@H+](C)CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(F)(F)CC1	REAL300030657210	1	53	0.0	-74.84	406.65	4.81	-70.03
CC[C@@H](C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(F)(F)CC1)[NH+](C)C	REAL300030657287	0	53	0.0	-74.10	393.22	3.82	-70.28
CC1=[NH+]C=CN1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(F)(F)CC1	REAL300030657318	1	49	0.0	-68.49	395.97	5.14	-63.35
CC1=C[NH+]=CN1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(F)(F)CC1	REAL300030657334	1	49	0.0	-73.03	396.27	5.83	-67.20
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(F)(F)CC1	REAL300030657369	0	51	0.0	-73.41	384.00	3.35	-70.06
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(F)(F)CC1	REAL300030657369	1	51	0.0	-71.61	387.94	3.65	-67.96
C[C@@H](C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(F)(F)CC1)[NH+](C)C	REAL300030657463	0	50	0.0	-72.08	376.49	3.68	-68.40
C[N@H+](CCO)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(F)(F)CC1	REAL300030657481	1	51	0.0	-73.85	394.65	0.98	-72.87
C[N@@H+](CCO)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(F)(F)CC1	REAL300030657481	1	51	0.0	-76.25	393.37	0.24	-76.01
CC1C[NH+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(F)(F)CC2)C1	REAL300030657515	1	51	0.0	-76.96	395.60	3.96	-73.00
CC[N@H+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(F)(F)CC1	REAL300030657543	0	50	0.0	-75.70	383.24	3.47	-72.23
CC[N@@H+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(F)(F)CC1	REAL300030657543	1	50	0.0	-72.15	384.23	4.18	-67.97
C[N@@H+]1CC2CC1(C(=O)N1CCC(CNC(=O)C3=CC(=O)[N-]O3)C(F)(F)CC1)C2	REAL300030657594	0	52	0.0	-76.28	390.91	3.93	-72.35
C[N@H+]1CC2CC1(C(=O)N1CCC(CNC(=O)C3=CC(=O)[N-]O3)C(F)(F)CC1)C2	REAL300030657594	1	52	0.0	-77.65	390.55	4.47	-73.18
CC(C[NH+](C)C)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(F)(F)CC1	REAL300030657602	0	53	0.0	-77.07	404.49	3.99	-73.08
C[NH+](C)C1(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(F)(F)CC2)CC1	REAL300030657607	0	51	0.0	-77.44	381.29	3.86	-73.58
C[C@H](C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(F)(F)CC1)[NH+](C)C	REAL300030657616	0	50	0.0	-73.09	381.63	3.14	-69.95
CC[N@@H+]1CCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(F)(F)CC1	REAL300030657619	1	51	0.0	-73.47	387.56	3.41	-70.06
CC[N@H+]1CCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(F)(F)CC1	REAL300030657619	1	51	0.0	-74.87	392.01	3.94	-70.93
NC1=CC=[NH+]C=C1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(F)(F)CC1	REAL300030657629	0	47	0.0	-75.62	372.99	0.65	-74.97
C[NH+](C)C(C)(C)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(F)(F)CC1	REAL300030657634	0	53	0.0	-77.68	381.19	3.91	-73.77
O=C(C[NH+]1CC2CC2C1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(F)(F)CC1	REAL300030657687	0	52	0.0	-76.48	400.83	4.69	-71.79
C[N@@H+]1CCC(=CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(F)(F)CC2)C1	REAL300030657709	0	52	0.0	-73.50	404.35	5.08	-68.42
C[N@H+]1CCC(=CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(F)(F)CC2)C1	REAL300030657709	1	52	0.0	-69.23	403.56	4.34	-64.89
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(F)(F)CC1	REAL300030657730	0	51	0.0	-72.02	390.97	3.98	-68.04
C[N@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(F)(F)CC1	REAL300030657730	1	51	0.0	-73.02	384.57	4.07	-68.95
CN1C=C[N+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(F)(F)CC2)=C1	REAL300030657790	0	49	0.0	-69.22	397.74	7.00	-62.22
C[N@H+](CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(F)(F)CC1)C1CC1	REAL300030657798	0	51	0.0	-72.39	394.78	4.21	-68.18
C[N@@H+](CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(F)(F)CC1)C1CC1	REAL300030657798	1	51	0.0	-70.34	395.99	4.95	-65.39
C[NH+]1CC(CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(F)(F)CC2)C1	REAL300030657841	0	51	0.0	-75.16	397.97	4.39	-70.77
C[NH+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(F)(F)CC1	REAL300030657846	0	47	0.0	-76.21	365.51	2.80	-73.41
C[C@@H](C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(F)(F)CC1)[NH+](C)C	REAL300030657852	0	50	0.0	-72.08	376.49	3.68	-68.40
CC1CC[N@@H+]1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(F)(F)CC1	REAL300030657865	1	51	0.0	-73.45	391.28	3.62	-69.83
CC1CC[N@H+]1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(F)(F)CC1	REAL300030657865	1	51	0.0	-70.60	392.09	4.31	-66.29
C[NH+](C)CC=CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(F)(F)CC1	REAL300030657866	0	51	0.0	-73.55	401.69	4.79	-68.76
CC[NH+](CC)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(F)(F)CC1	REAL300030657879	0	53	0.0	-70.63	398.05	4.60	-66.03
O=C(C[NH+]1CCC1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(F)(F)CC1	REAL300030657884	1	48	0.0	-72.52	376.23	3.94	-68.58
CC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(F)(F)CC1)[NH+]1CCC1	REAL300030657919	1	51	0.0	-73.07	393.70	3.73	-69.34
C[N@@H+]1CCCC1C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030658137	0	45	0.0	-68.50	350.48	2.12	-66.38
C[N@H+]1CCCC1C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030658137	1	45	0.0	-68.90	351.02	2.19	-66.71
CC(C)C1=[NH+]C=CN1CCC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030658332	1	52	0.0	-60.26	415.02	4.34	-55.92
CC(C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300030658336	0	54	0.0	-60.76	398.79	3.65	-57.11
CC(C)[N@@H+]1CCCC1C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030658360	0	51	0.0	-70.06	372.86	3.07	-66.99
CC(C)[N@H+]1CCCC1C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030658360	1	51	0.0	-59.68	388.42	3.32	-56.36
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@@H+]2C1	REAL300030658381	0	52	0.0	-64.90	395.25	4.02	-60.88
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@H+]2C1	REAL300030658381	1	52	0.0	-73.88	393.62	3.86	-70.02
CC(C)C1=[NH+]C=CN1CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030658406	1	49	0.0	-59.52	395.16	3.93	-55.59
CC1=[NH+]C=CN1CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030658446	1	43	0.0	-64.25	356.77	2.70	-61.55
CC(C[NH+]1CCOCC1)C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030658448	1	52	0.0	-69.12	399.35	1.97	-67.15
O=C(CCC[NH+]1CCCCC1)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030658465	0	54	0.0	-67.88	412.91	4.45	-63.43
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+]2CCC1CC2	REAL300030658500	0	49	0.0	-73.24	366.07	2.93	-70.31
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC2CCC[N@@H+]21	REAL300030658546	0	52	0.0	-66.61	390.81	3.90	-62.71
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC2CCC[N@H+]21	REAL300030658546	1	52	0.0	-63.90	383.56	3.61	-60.29
C[NH+](C)CCN1C=C(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300030658548	0	51	0.0	-77.68	412.67	2.67	-75.01
C[NH+](C)CCN1C=CC(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030658556	0	51	0.0	-82.03	411.02	2.60	-79.43
C[C@@H]1[C@H](C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030658562	0	48	0.0	-67.03	362.66	2.29	-64.74
C[C@@H]1[C@H](C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030658562	1	48	0.0	-70.32	367.06	2.61	-67.71
CCC1=[NH+]C=CN1C(C)CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030658564	1	52	0.0	-62.07	413.83	4.46	-57.61
CC[C@@H]1[C@@H](C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030658567	0	51	0.0	-71.65	381.44	2.85	-68.80
CC[C@@H]1[C@@H](C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030658567	1	51	0.0	-61.40	390.51	3.39	-58.01
CC[N@@H+]1CCOC(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030658586	1	49	0.0	-66.06	375.59	2.07	-63.99
CC[N@H+]1CCOC(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030658586	1	49	0.0	-65.87	375.60	2.05	-63.82
CC[NH+](CC)CC(F)C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030658628	0	50	0.0	-76.55	385.69	2.81	-73.74
CC1CCC(C)[NH+]1CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030658708	0	51	0.0	-64.49	386.64	3.25	-61.24
O=C(CCC[NH+]1CCCC1)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030658714	0	51	0.0	-73.64	394.63	3.50	-70.14
C[NH+](C)CC1=CC=CC(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030658715	0	51	0.0	-73.93	404.62	4.58	-69.35
C#CC[NH+]1CCC(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030658720	0	50	0.0	-73.00	397.75	3.99	-69.01
O=C(CC[NH+]1CCCCC1)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030658721	0	51	0.0	-69.52	391.35	3.49	-66.03
CC(C)C[N@@H+]1CCC(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030658748	0	54	0.0	-66.85	412.37	4.22	-62.63
CC(C)C[N@H+]1CCC(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030658748	1	54	0.0	-72.86	410.90	4.10	-68.76
CC(C)[N@@H+]1CCCC1CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030658756	0	54	0.0	-60.56	398.62	3.75	-56.81
CC(C)[N@H+]1CCCC1CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030658756	1	54	0.0	-66.85	405.01	3.77	-63.08
C[N@H+](CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030658817	0	48	0.0	-65.72	373.92	3.23	-62.49
C[N@@H+](CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030658817	1	48	0.0	-66.19	374.72	3.18	-63.01
CC(C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300030658875	0	54	0.0	-62.51	386.75	2.98	-59.53
CN(CCC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300030658932	0	50	0.0	-72.76	400.90	2.72	-70.04
C[N@@H+]1CCCC1CCC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030658948	0	51	0.0	-67.86	395.26	3.73	-64.13
C[N@H+]1CCCC1CCC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030658948	1	51	0.0	-68.64	391.63	3.56	-65.08
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC2CCCC[N@@H+]21	REAL300030658962	0	52	0.0	-64.02	394.03	4.14	-59.88
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC2CCCC[N@H+]21	REAL300030658962	1	52	0.0	-61.95	395.61	4.19	-57.76
O=C(CCCC[NH+]1CCCC1)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030658986	0	54	0.0	-67.50	419.14	4.55	-62.95
C[N@H+](CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300030658988	1	51	0.0	-78.58	403.09	4.67	-73.91
C[N@@H+](CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300030658988	1	51	0.0	-71.72	404.53	4.84	-66.88
C[NH+]1CCC(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030659002	0	48	0.0	-69.12	372.18	2.90	-66.22
C[NH+](C)CC1=CC(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300030659039	1	47	0.0	-76.45	387.57	2.14	-74.31
CC1=C(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300030659040	0	46	0.0	-72.90	370.41	4.93	-67.97
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN2C=[NH+]C=C2C=C1	REAL300030659197	0	43	0.0	-68.54	358.04	4.76	-63.78
CC1=[NH+]C=CN1CCCC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030659207	1	49	0.0	-64.90	398.84	4.15	-60.75
O=C(CCCC[NH+]1CCOCC1)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030659211	1	55	0.0	-77.18	424.68	2.66	-74.52
C[NH+](C)CC1=CC=C(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300030659215	0	51	0.0	-79.27	404.61	4.58	-74.69
O=C(CC[NH+]1CCOCC1)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030659216	1	49	0.0	-70.86	383.08	1.24	-69.62
CCC[NH+](CCC)CCCC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030659233	0	59	0.0	-74.60	444.51	5.00	-69.60
CC1=C[NH+]=CN1CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030659249	1	43	0.0	-66.20	358.25	3.52	-62.68
O=C(CN1C=[NH+]C2=C1CCCC2)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030659256	1	50	0.0	-65.79	399.41	5.32	-60.47
C[NH+](C)CC1(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CCCCC1	REAL300030659286	0	57	0.0	-63.26	416.05	4.51	-58.75
C[N@H+](CCC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300030659290	0	57	0.0	-66.04	427.93	4.80	-61.24
C[N@@H+](CCC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300030659290	1	57	0.0	-66.86	428.02	4.78	-62.08
C[NH+](C)C1CCCC(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030659326	0	54	0.0	-64.48	399.95	3.91	-60.57
C[N@@H+]1CCC(CC(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030659329	0	48	0.0	-73.88	371.61	2.72	-71.16
C[N@H+]1CCC(CC(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030659329	1	48	0.0	-69.58	374.18	2.84	-66.74
CCC(C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030659344	0	47	0.0	-72.42	357.08	2.07	-70.35
C[NH+](C)C1(CC(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030659359	0	54	0.0	-71.54	391.18	3.52	-68.02
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC2=C[NH+]=CN2C=C1	REAL300030659402	1	43	0.0	-77.63	356.85	4.59	-73.04
C[NH+](C)CCCCC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030659459	0	50	0.0	-74.98	391.78	3.22	-71.76
CCC[N@H+](C)CCC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030659477	0	50	0.0	-69.03	389.47	3.20	-65.83
CCC[N@@H+](C)CCC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030659477	1	50	0.0	-65.94	391.12	3.16	-62.78
CCC[N@H+](C)CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030659481	0	47	0.0	-68.93	366.57	2.49	-66.44
CCC[N@@H+](C)CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030659481	1	47	0.0	-67.93	367.05	2.65	-65.28
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@H+](C1)CCC2	REAL300030659502	0	49	0.0	-68.71	369.35	2.27	-66.44
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@@H+](C1)CCC2	REAL300030659502	1	49	0.0	-75.31	368.29	2.26	-73.05
C[N@@H+]1CCC[C@@H]1C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030659544	0	45	0.0	-69.95	344.95	1.59	-68.36
C[N@H+]1CCC[C@@H]1C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030659544	1	45	0.0	-62.99	355.70	2.29	-60.70
CC1CC2CCC(C(=O)NC3(CF)CCN(C(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300030659565	0	55	0.0	-67.15	408.55	4.59	-62.56
CC1CC2CCC(C(=O)NC3(CF)CCN(C(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300030659565	1	55	0.0	-67.73	408.68	4.59	-63.14
CCCCCC[N@H+](C)CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030659601	0	56	0.0	-69.00	431.55	5.00	-64.00
CCCCCC[N@@H+](C)CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030659601	1	56	0.0	-75.58	430.15	4.82	-70.76
CC[NH+](CC)CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030659615	0	47	0.0	-69.46	360.44	2.47	-66.99
CCC[N@@H+]1CCCC(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030659641	0	54	0.0	-63.44	405.05	4.47	-58.97
CCC[N@H+]1CCCC(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030659641	1	54	0.0	-67.42	412.06	4.20	-63.22
CC(C)[N@@H+]1CCOC(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030659656	1	52	0.0	-77.25	396.79	2.60	-74.65
CC(C)[N@H+]1CCOC(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030659656	1	52	0.0	-68.44	391.25	2.42	-66.02
CC1CC[NH+](CC(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030659690	0	51	0.0	-67.92	390.76	3.71	-64.21
C[NH+]1CCC(OCC(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030659716	0	52	0.0	-78.32	406.37	3.06	-75.26
C[NH+](C)CC1(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030659730	0	48	0.0	-83.39	371.91	3.02	-80.37
CC1=[NH+]C=C2CCC(C(=O)NC3(CF)CCN(C(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300030659731	1	50	0.0	-67.89	394.08	3.81	-64.08
CC(C)[NH+]1CCC(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030659806	0	54	0.0	-75.68	401.67	3.70	-71.98
C[NH+]1CCC(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030659826	0	48	0.0	-69.12	372.18	2.90	-66.22
CCC(C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030659860	0	53	0.0	-62.10	393.68	3.56	-58.54
CC[N@H+](C)CCC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030659928	0	47	0.0	-68.41	367.97	2.46	-65.95
CC[N@@H+](C)CCC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030659928	1	47	0.0	-74.75	366.52	2.29	-72.46
CC1CCC[N@@H+]1CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030659981	0	48	0.0	-61.79	374.69	3.00	-58.79
CC1CCC[N@H+]1CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030659981	1	48	0.0	-64.93	366.99	2.55	-62.38
CC1CC[N@H+](CC(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030659983	0	48	0.0	-66.68	374.03	2.89	-63.79
CC1CC[N@@H+](CC(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030659983	1	48	0.0	-73.55	372.35	2.79	-70.76
CC1=[NH+]C=C2CC(C(=O)NC3(CF)CCN(C(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300030659984	1	50	0.0	-63.02	396.15	3.97	-59.05
CC1(C)CC[N@H+](CC(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030659987	0	51	0.0	-66.94	392.84	3.50	-63.44
CC1(C)CC[N@@H+](CC(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030659987	1	51	0.0	-68.01	392.37	3.33	-64.68
C[N@H+](CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030659988	0	53	0.0	-63.83	396.85	3.60	-60.23
C[N@@H+](CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030659988	1	53	0.0	-67.62	398.26	3.73	-63.89
CC[C@@H](C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030659997	0	47	0.0	-68.13	357.58	2.11	-66.02
CC(COCC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300030660004	0	55	0.0	-65.64	426.45	3.89	-61.75
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[NH+](CC2CC2)CC1	REAL300030660072	0	55	0.0	-72.41	422.23	5.05	-67.36
C[NH+]1CCC(O)(CC(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030660187	0	52	0.0	-72.65	396.88	1.27	-71.38
COCC[N@@H+]1CCCC1CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030660193	0	55	0.0	-73.19	421.47	2.74	-70.45
COCC[N@H+]1CCCC1CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030660193	1	55	0.0	-74.54	417.66	2.11	-72.43
C[NH+](C)CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030660200	0	41	0.0	-68.22	327.82	1.23	-66.99
O=C(C[NH+]1CCC(CO)CC1)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030660204	1	52	0.0	-76.31	400.14	0.26	-76.05
O=C(C[NH+]1CCCCCC1)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030660208	0	51	0.0	-64.65	380.68	3.24	-61.41
CN1C=C[N+](CC(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030660213	0	43	0.0	-61.37	360.75	4.73	-56.64
C[N@@H+]1CCCC(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030660221	0	48	0.0	-63.88	363.16	2.97	-60.91
C[N@H+]1CCCC(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030660221	1	48	0.0	-60.88	368.11	3.04	-57.84
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@@H+]1C1CC1	REAL300030660225	0	49	0.0	-58.81	364.18	3.50	-55.31
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@H+]1C1CC1	REAL300030660225	1	49	0.0	-76.80	365.15	3.42	-73.38
CC(C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030660251	1	45	0.0	-64.71	355.77	2.28	-62.43
CCC(CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030660260	0	53	0.0	-76.37	397.44	3.55	-72.82
O=C(C[NH+]1CCC(O)CC1)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030660296	1	49	0.0	-79.35	379.54	-0.39	-79.74
C[N@H+](CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030660297	0	45	0.0	-65.13	357.14	2.66	-62.47
C[N@@H+](CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030660297	1	45	0.0	-72.12	355.83	2.49	-69.63
CC(C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300030660298	1	53	0.0	-70.12	399.30	0.99	-69.13
C[NH+]1CC(CC(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030660317	0	45	0.0	-75.39	357.87	1.89	-73.50
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+]1C1CCCC1	REAL300030660321	0	52	0.0	-67.30	398.71	4.15	-63.15
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+]1C1CCCC1	REAL300030660321	1	52	0.0	-66.66	398.78	4.09	-62.57
CC(C)(C)[N@@H+]1CCC1C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030660328	1	51	0.0	-60.16	391.17	2.90	-57.26
CC(C)(C)[N@H+]1CCC1C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030660328	1	51	0.0	-64.29	390.39	2.92	-61.37
C[C@@H](C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030660340	0	44	0.0	-68.35	344.16	1.57	-66.78
CCC1CCC[N@H+](CC(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030660379	0	54	0.0	-71.72	398.92	4.22	-67.50
CCC1CCC[N@@H+](CC(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030660379	1	54	0.0	-67.21	401.37	3.91	-63.30
C[NH+](C)CC1=CC=C(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030660386	0	49	0.0	-72.84	394.54	2.65	-70.19
C[NH+]1C2CCC1CC(CC(=O)NC1(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030660397	0	55	0.0	-69.96	392.12	3.53	-66.43
[NH2+]=C1SC=CN1CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030660433	0	41	0.0	-63.19	354.94	1.43	-61.76
C[N@H+](CCO)CCC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030660442	0	48	0.0	-65.16	379.97	-0.80	-65.96
C[N@@H+](CCO)CCC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030660442	1	48	0.0	-65.61	379.98	-0.81	-66.42
C[C@@H](C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030660443	0	44	0.0	-68.35	344.16	1.57	-66.78
C[N@@H+]1CCCC[C@@H]1C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030660447	1	48	0.0	-65.99	360.28	2.66	-63.33
C[N@H+]1CCCC[C@@H]1C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030660447	1	48	0.0	-70.27	366.88	2.74	-67.53
CC1CN2CC[N@@H+]1CC2C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030660454	0	51	0.0	-72.19	377.72	0.10	-72.09
CC1CN2CC[N@H+]1CC2C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030660454	1	51	0.0	-77.99	378.64	-0.03	-78.02
O=C(CC1=CC2=C[NH+]=CN2C=C1)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030660504	0	46	0.0	-67.29	382.27	5.43	-61.86
C[N@H+](CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300030660527	0	49	0.0	-78.17	385.92	3.30	-74.87
C[N@@H+](CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300030660527	1	49	0.0	-80.29	385.70	3.32	-76.97
C[NH+](C)CC1=CC(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC=N1	REAL300030660557	1	50	0.0	-68.48	401.54	3.12	-65.36
C[N@@H+]1CCC(=CC(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030660558	0	46	0.0	-72.09	366.20	2.75	-69.34
C[N@H+]1CCC(=CC(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030660558	1	46	0.0	-71.07	365.82	2.81	-68.26
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+](C2CCCCC2)C1	REAL300030660581	0	55	0.0	-71.20	420.73	4.54	-66.66
C[NH+](C)CCOCC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030660592	0	48	0.0	-67.46	383.63	2.16	-65.30
CCCCC[N@H+](C)CCC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030660598	0	56	0.0	-66.99	434.11	4.74	-62.25
CCCCC[N@@H+](C)CCC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030660598	1	56	0.0	-66.85	434.12	4.73	-62.12
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030660607	0	52	0.0	-68.37	406.77	3.07	-65.30
C=CCC(C)(C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030660616	0	51	0.0	-68.60	380.60	3.53	-65.07
C[S+](C)CCC(O)C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030660621	0	47	0.0	-81.65	391.29	0.62	-81.03
CN1CC[N@H+](C)CC(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030660659	0	53	0.0	-66.91	398.36	1.33	-65.58
CN1CC[N@@H+](C)CC(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030660659	1	53	0.0	-66.91	398.36	1.33	-65.58
CC(C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)N1CCCC(O)C1	REAL300030660660	0	52	0.0	-64.30	399.34	0.06	-64.24
CC(C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300030660660	1	52	0.0	-73.41	397.30	-0.02	-73.43
CC(C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300030660660	1	52	0.0	-73.41	397.30	-0.02	-73.43
O=C(CN1CCC(CO)CC1)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030660673	0	52	0.0	-76.31	400.14	0.26	-76.05
O=C(C[NH+]1CCC(CO)CC1)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030660673	1	52	0.0	-76.31	400.14	0.26	-76.05
C[N@@H+]1CCCC(O)(CC(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030660683	0	52	0.0	-65.70	396.74	1.30	-64.40
C[N@H+]1CCCC(O)(CC(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030660683	1	52	0.0	-65.70	396.74	1.30	-64.40
NC(=O)C1CCN(CC(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030660690	0	52	0.0	-88.34	404.37	-0.37	-88.71
NC(=O)C1CC[NH+](CC(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030660690	1	52	0.0	-88.34	404.37	-0.37	-88.71
CN(CCO)CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030660714	0	45	0.0	-75.54	354.51	-1.50	-77.04
C[N@H+](CCO)CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030660714	1	45	0.0	-67.81	355.96	-1.32	-69.13
C[N@@H+](CCO)CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030660714	1	45	0.0	-67.81	355.96	-1.32	-69.13
C[NH+]1C2CCC1CC(=CC(=O)NC1(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030660733	0	53	0.0	-69.36	400.36	4.04	-65.32
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[N@@H+]2CCN1CCC2	REAL300030660737	0	51	0.0	-77.20	371.59	0.93	-76.27
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[N@H+]2CCN1CCC2	REAL300030660737	1	51	0.0	-77.20	371.59	0.93	-76.27
CC[N@@H+]1CCCC(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030660742	0	51	0.0	-66.39	390.50	3.50	-62.89
CC[N@H+]1CCCC(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030660742	1	51	0.0	-66.39	390.50	3.50	-62.89
CC(CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030660744	0	50	0.0	-69.01	384.68	3.24	-65.77
CC[N@H+](C)CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030660759	0	44	0.0	-67.37	345.60	1.91	-65.46
CC[N@H+](CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030660808	0	48	0.0	-68.83	370.34	3.13	-65.70
CC[NH+](CC)CCC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030660827	0	50	0.0	-74.02	380.03	2.72	-71.30
O=C(CCCC[NH+]1CCCCC1)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030660861	0	57	0.0	-68.09	434.41	5.24	-62.85
CC1(O)CC[N@H+](CC(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030660885	1	49	0.0	-65.24	385.82	-0.38	-65.62
CC1(O)CC[N@@H+](CC(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030660885	1	49	0.0	-75.37	382.64	-0.52	-75.89
C[NH+](C)CC=CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030660893	0	45	0.0	-70.14	365.03	2.48	-67.66
CC(OCC[NH+](C)C)C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030660910	0	51	0.0	-66.57	403.83	2.85	-63.72
C[NH+](C)CCOCCC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030660921	0	51	0.0	-74.07	403.24	1.88	-72.19
COCC[N@H+](C)CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030660922	1	48	0.0	-67.75	378.22	1.08	-66.67
COCC[N@@H+](C)CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030660922	1	48	0.0	-75.82	376.76	0.91	-74.91
CC(CCC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030660968	0	50	0.0	-72.23	383.77	2.82	-69.41
CC[N@@H+]1CCC1C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030660978	1	45	0.0	-62.30	354.44	1.92	-60.38
CC[N@H+]1CCC1C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030660978	1	45	0.0	-70.71	356.63	2.17	-68.54
CC(C)[N@@H+]1CCCC(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030660988	0	54	0.0	-63.32	398.80	4.16	-59.16
CC(C)[N@H+]1CCCC(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030660988	1	54	0.0	-65.08	407.11	4.01	-61.07
O=C(C[N@H+]1CCCC1CO)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030661001	1	49	0.0	-62.64	384.31	-0.25	-62.89
O=C(C[N@@H+]1CCCC1CO)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030661001	1	49	0.0	-66.29	372.02	-0.28	-66.57
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@@H+]2C1	REAL300030661022	0	52	0.0	-64.90	395.25	4.02	-60.88
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@H+]2C1	REAL300030661022	1	52	0.0	-73.88	393.62	3.86	-70.02
C[NH+](C)CC1=CNC(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030661029	0	49	0.0	-71.19	394.35	2.57	-68.62
CC(C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300030661043	1	52	0.0	-76.50	397.31	-0.03	-76.53
C=CCC(C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030661055	0	48	0.0	-72.17	370.10	2.55	-69.62
C[N@@H+]1CC(C)(C)CC1C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030661067	0	51	0.0	-63.34	389.68	2.90	-60.44
C[N@H+]1CC(C)(C)CC1C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030661067	1	51	0.0	-75.74	386.78	2.69	-73.05
C[NH+](C)CCCCCC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030661071	0	53	0.0	-74.29	413.28	3.99	-70.30
O=C(C[NH+]1CC2CC2C1)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030661081	0	46	0.0	-68.28	363.82	3.06	-65.22
CC1C[N@@H+]2CCN1C(C(=O)NC1(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030661112	0	51	0.0	-69.58	381.26	0.20	-69.38
CC1C[N@H+]2CCN1C(C(=O)NC1(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030661112	1	51	0.0	-71.89	381.00	0.27	-71.62
CCCC(C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030661113	0	50	0.0	-70.96	380.53	3.00	-67.96
C[N@@H+]1CCCCC1C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030661157	1	48	0.0	-63.26	370.37	2.77	-60.49
C[N@H+]1CCCCC1C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030661157	1	48	0.0	-73.84	358.95	2.50	-71.34
C[N@H+]1CC=C(CC(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030661199	0	49	0.0	-67.58	387.03	3.56	-64.02
C[N@@H+]1CC=C(CC(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030661199	1	49	0.0	-70.35	385.57	3.40	-66.95
O=C(CC1([NH+]2CCCC2)CC1)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030661206	0	52	0.0	-64.03	392.92	3.96	-60.07
CN(C)CC1=CC=C(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030661255	0	48	0.0	-75.87	389.52	2.89	-72.98
C[NH+](C)CC1=CC=C(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030661255	1	48	0.0	-75.87	389.52	2.89	-72.98
O=C(C=CC[NH+]1CCCC1)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030661272	0	49	0.0	-76.35	386.97	3.35	-73.00
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[NH+](C2CC2)CC1	REAL300030661294	0	52	0.0	-70.06	397.93	4.04	-66.02
O=C(CC[NH+]1CCCC1)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030661311	0	48	0.0	-74.56	373.16	2.69	-71.87
O=C(C[N@@H+]1CC2CCC1C2)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030661367	0	49	0.0	-69.14	371.36	3.24	-65.90
CC(C)[NH+]1CCC(CC(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030661377	0	57	0.0	-63.74	427.05	4.76	-58.98
O=C(C=C1C[NH+]2CCC1CC2)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030661419	0	50	0.0	-69.27	382.77	3.49	-65.78
CC(C[NH+](C)C)C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030661475	0	47	0.0	-73.72	364.85	2.36	-71.36
C[N@@H+]1CCCCC1CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030661555	0	51	0.0	-58.87	381.36	3.29	-55.58
C[N@H+]1CCCCC1CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030661555	1	51	0.0	-58.87	381.36	3.29	-55.58
CC1=C2C=C(C(=O)NC3(CF)CCN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=N1	REAL300030661572	0	46	0.0	-68.91	380.22	5.32	-63.59
CC1=C2C=C(C(=O)NC3(CF)CCN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030661572	1	46	0.0	-68.91	380.22	5.32	-63.59
CC(C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)N1CC(C)C1	REAL300030661573	0	48	0.0	-71.74	375.53	2.77	-68.97
CC(C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300030661573	1	48	0.0	-71.74	375.53	2.77	-68.97
CC1CCN1CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030661577	0	45	0.0	-71.65	352.16	1.91	-69.74
CC1CC[N@@H+]1CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030661577	1	45	0.0	-63.76	360.82	2.27	-61.49
CC1CC[N@H+]1CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030661577	1	45	0.0	-63.76	360.82	2.27	-61.49
C[NH+](C)CC(O)CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030661581	0	48	0.0	-71.11	380.42	0.18	-70.93
CC1CN(C)CC(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030661609	0	49	0.0	-82.10	376.17	1.73	-80.37
CC1C[N@H+](C)CC(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030661609	1	49	0.0	-67.09	381.18	1.84	-65.25
CC1C[N@@H+](C)CC(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030661609	1	49	0.0	-67.09	381.18	1.84	-65.25
O=C(CC[NH+]1CCC(O)CC1)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030661619	0	52	0.0	-77.81	401.53	0.15	-77.66
CCC[N@@H+]1CCCCC1C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030661622	0	54	0.0	-69.54	406.20	4.13	-65.41
CC[NH+]1CCN(CCC(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030661627	0	56	0.0	-75.58	425.03	1.73	-73.85
CCN1CC[NH+](CCC(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030661627	1	56	0.0	-75.58	425.03	1.73	-73.85
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300030661630	0	55	0.0	-63.69	403.10	4.64	-59.05
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300030661630	1	55	0.0	-63.69	403.10	4.64	-59.05
CC(C)C[NH+]1CCC(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030661669	0	57	0.0	-77.40	427.81	4.84	-72.56
C[NH+](C)C1CCN(CC(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030661688	0	56	0.0	-73.58	419.67	1.78	-71.80
C[NH+](C)[C@H]1C[C@H](C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030661707	0	48	0.0	-75.11	374.48	2.88	-72.23
CC(CC[NH+](C)C)C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030661715	0	50	0.0	-73.33	386.47	2.97	-70.36
C[N@H+](CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300030661739	0	52	0.0	-71.76	397.20	0.47	-71.29
CN1CCN(CC(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030661750	0	50	0.0	-67.65	386.89	0.74	-66.91
C[NH+]1CCN(CC(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030661750	1	50	0.0	-67.65	386.89	0.74	-66.91
NC(=[NH2+])SCC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030661786	0	39	0.0	-67.86	335.74	-1.82	-69.68
CCN1CCOCC1CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030661827	0	52	0.0	-69.18	391.13	1.61	-67.57
CC[N@@H+]1CCOCC1CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030661827	1	52	0.0	-75.16	388.55	1.47	-73.69
CC[N@H+]1CCOCC1CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030661827	1	52	0.0	-69.18	391.13	1.61	-67.57
CC1CCCC(C)[NH+]1CCC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030661843	0	57	0.0	-65.13	418.54	4.30	-60.83
C[NH+](C)C1CCC(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030661846	0	54	0.0	-69.24	406.43	4.08	-65.16
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030661848	0	54	0.0	-61.16	397.25	3.84	-57.32
C[N@@H+]1CC=CCC1CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030661849	0	49	0.0	-73.26	378.51	3.14	-70.12
C[N@H+]1CC=CCC1CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030661849	1	49	0.0	-64.15	374.50	3.17	-60.98
C[C@@H](OCC[NH+](C)C)C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030661873	0	51	0.0	-63.20	405.56	2.84	-60.36
C[NH+]1C2CCC1CC(C(=O)NC1(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030661901	0	52	0.0	-65.90	387.67	3.46	-62.44
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+](C2CCOCC2)C1	REAL300030662018	0	53	0.0	-71.83	411.32	2.23	-69.60
C[N@@H+]1CCC[C@H]1C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030662027	0	45	0.0	-68.17	343.48	1.66	-66.51
O=C(CC[N@@H+]1CCC(F)C1)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030662036	0	48	0.0	-80.27	380.66	2.87	-77.40
O=C(CC[NH+]1CCCCCC1)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030662055	0	54	0.0	-66.60	403.54	3.83	-62.77
O=C(CN1CCCCC1)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030662057	0	48	0.0	-67.09	369.59	3.12	-63.97
O=C(C[NH+]1CCCCC1)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030662057	1	48	0.0	-67.09	369.59	3.12	-63.97
CC1C(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030662065	0	48	0.0	-75.89	368.49	2.55	-73.34
CC1C(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030662065	1	48	0.0	-75.89	368.49	2.55	-73.34
C[N@@H+]1CCCCC1CCC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030662067	0	54	0.0	-68.05	409.69	4.11	-63.94
C[N@H+]1CCCCC1CCC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030662067	1	54	0.0	-68.05	409.69	4.11	-63.94
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+]2CCOCC12	REAL300030662095	0	50	0.0	-65.17	381.25	1.50	-63.67
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+]2CCOCC12	REAL300030662095	1	50	0.0	-65.17	381.25	1.50	-63.67
CN1CCOCC1CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030662119	0	49	0.0	-79.21	376.94	0.88	-78.33
C[N@@H+]1CCOCC1CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030662119	1	49	0.0	-80.58	376.94	0.89	-79.69
C[N@H+]1CCOCC1CC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030662119	1	49	0.0	-80.58	376.94	0.89	-79.69
CC1=C(C)NC(CCC(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030662128	0	49	0.0	-62.69	398.11	2.53	-60.16
CC1=C(C)[NH+]=C(CCC(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030662128	1	49	0.0	-62.69	398.11	2.53	-60.16
CC(C)C[N@@H+]1CCCC(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030662139	0	57	0.0	-63.17	430.51	4.88	-58.29
CC(C)C[N@H+]1CCCC(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030662139	1	57	0.0	-63.17	430.51	4.88	-58.29
C[N@@H+]1CCCC1C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030662304	0	45	0.0	-65.97	349.40	1.83	-64.14
CN1CCOC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030662330	0	46	0.0	-75.16	362.95	1.52	-73.64
C[N@@H+]1CCOC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030662330	1	46	0.0	-81.18	360.84	1.63	-79.55
C[N@H+]1CCOC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030662330	1	46	0.0	-81.18	360.84	1.63	-79.55
CC1=NC=CN1CCCC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030662494	0	49	0.0	-66.70	400.04	4.23	-62.47
CC1=[NH+]C=CN1CCCC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030662494	1	49	0.0	-66.70	400.04	4.23	-62.47
O=C(CCCCN1CCOCC1)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030662498	0	55	0.0	-75.04	425.66	2.92	-72.12
O=C(CCCC[NH+]1CCOCC1)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030662498	1	55	0.0	-75.04	425.66	2.92	-72.12
C[NH+](C)CC1=CC=C(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300030662504	0	51	0.0	-76.36	400.73	4.29	-72.07
O=C(CCN1CCOCC1)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030662505	0	49	0.0	-73.44	385.99	1.37	-72.07
O=C(CC[NH+]1CCOCC1)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030662505	1	49	0.0	-73.44	385.99	1.37	-72.07
CCC[NH+](CCC)CCCC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030662527	0	59	0.0	-72.01	449.95	5.52	-66.49
O=C(NC1(CF)CCN(C(=O)C23CCC[NH+]2CCC3)C1)C1=CC(=O)[N-]O1	REAL300030662542	0	49	0.0	-64.60	368.34	2.70	-61.90
O=C(NC1(CF)CCN(C(=O)C2=CC3=CN=CN3C=C2)C1)C1=CC(=O)[N-]O1	REAL300030662558	0	43	0.0	-75.27	355.71	4.39	-70.88
O=C(NC1(CF)CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1)C1=CC(=O)[N-]O1	REAL300030662558	1	43	0.0	-75.27	355.71	4.39	-70.88
C[NH+](C)C1CCCC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030662627	0	54	0.0	-72.08	408.74	4.00	-68.08
C[N@@H+]1CCC(CC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030662630	0	48	0.0	-72.71	374.08	2.92	-69.79
C[N@H+]1CCC(CC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030662630	1	48	0.0	-72.71	374.08	2.92	-69.79
CCC(C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030662647	0	47	0.0	-70.40	357.79	2.11	-68.29
CC1CC2CCC(C(=O)N3CCC(CF)(NC(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300030662700	0	55	0.0	-68.52	414.29	4.46	-64.06
CC1CC2CCC(C(=O)N3CCC(CF)(NC(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300030662700	1	55	0.0	-68.52	414.29	4.46	-64.06
C[NH+](C)CCCCC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030662727	0	50	0.0	-73.17	392.76	3.46	-69.71
CC(C)C(C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030662750	0	50	0.0	-64.11	372.67	2.68	-61.43
CCC[N@H+](C)CCC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030662752	0	50	0.0	-69.84	394.01	3.33	-66.51
CCC[N@@H+](C)CCC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030662752	1	50	0.0	-69.84	394.01	3.33	-66.51
CCC[N@H+](C)CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030662758	0	47	0.0	-65.68	368.01	2.64	-63.04
CCC[N@@H+](C)CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030662758	1	47	0.0	-65.68	368.01	2.64	-63.04
O=C(NC1(CF)CCN(C(=O)C23CC[N@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300030662785	0	49	0.0	-76.50	359.36	2.12	-74.38
O=C(NC1(CF)CCN(C(=O)C23CC[N@@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300030662785	1	49	0.0	-76.50	359.36	2.12	-74.38
CCCCCC[N@H+](C)CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030662828	0	56	0.0	-66.88	432.50	4.98	-61.90
CCCCCC[N@@H+](C)CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030662828	1	56	0.0	-66.88	432.50	4.98	-61.90
CC[NH+](CC)C(C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300030662835	0	56	0.0	-65.81	401.89	4.45	-61.36
CC1CC[NH+](CC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030662873	0	51	0.0	-69.39	393.30	3.80	-65.59
C[NH+]1CCC(OCC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030662907	0	52	0.0	-80.77	409.30	3.34	-77.43
O=C(NC1(CF)CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030662970	0	52	0.0	-65.31	395.97	3.83	-61.48
O=C(NC1(CF)CCN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030662970	1	52	0.0	-72.43	392.77	3.81	-68.62
C[NH+](C)CC1(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030662982	0	48	0.0	-73.71	377.74	2.84	-70.87
CC1=[NH+]C=C2CCC(C(=O)N3CCC(CF)(NC(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300030662983	1	50	0.0	-66.74	401.57	3.98	-62.76
CC(C)[NH+]1CCC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030662995	0	54	0.0	-72.60	405.41	4.01	-68.59
CC[N@H+](C)CCC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030663024	0	47	0.0	-70.95	370.81	2.56	-68.39
CC[N@@H+](C)CCC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030663024	1	47	0.0	-71.03	370.81	2.58	-68.45
CC(C)(C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300030663055	0	54	0.0	-63.91	390.82	4.10	-59.81
O=C(NC1(CF)CCN(C(=O)C2C[NH+]3CCC2CC3)C1)C1=CC(=O)[N-]O1	REAL300030663071	0	49	0.0	-68.31	367.12	2.78	-65.53
C[NH+]1CCC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030663156	0	48	0.0	-75.27	371.09	2.81	-72.46
CC(C)[C@H](C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030663177	0	50	0.0	-63.06	372.05	3.01	-60.05
O=C(NC1(CF)CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1)C1=CC(=O)[N-]O1	REAL300030663254	0	55	0.0	-79.43	420.79	4.93	-74.50
CC[NH+](CC)CC(F)C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030663295	0	50	0.0	-68.89	389.60	3.28	-65.61
C[NH+](C)CC1=C(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)SC=C1	REAL300030663296	0	48	0.0	-62.48	392.18	3.63	-58.85
CC(C)C[N@@H+]1CCC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030663335	0	54	0.0	-66.38	410.88	4.08	-62.30
CC(C)C[N@H+]1CCC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030663335	1	54	0.0	-68.99	415.03	4.20	-64.79
C[NH+](C)C1(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300030663339	0	48	0.0	-70.44	360.09	2.54	-67.90
CCC(C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030663373	0	53	0.0	-63.31	392.72	3.45	-59.86
CC1CCC[N@@H+]1CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030663396	0	48	0.0	-62.25	367.57	2.59	-59.66
CC1CCC[N@H+]1CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030663396	1	48	0.0	-66.64	376.25	3.11	-63.53
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030663476	1	52	0.0	-65.34	412.81	4.48	-60.86
CC(C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300030663483	0	54	0.0	-65.54	399.29	3.70	-61.84
CC(C)[N@@H+]1CCCCC1C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030663485	0	54	0.0	-65.75	390.47	3.53	-62.22
CC(C)[N@H+]1CCCCC1C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030663485	1	54	0.0	-62.64	394.67	3.55	-59.09
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030663511	0	51	0.0	-68.11	381.17	3.59	-64.52
CC(C)[N@H+]1CCCC1C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030663511	1	51	0.0	-61.86	380.20	3.44	-58.42
C[NH+](C)C(CN1C=CC=N1)C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030663516	1	51	0.0	-67.36	397.30	2.42	-64.94
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030663521	0	54	0.0	-65.52	396.35	3.83	-61.69
CC(C)[N@H+]1CCCC1CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030663521	1	54	0.0	-58.82	399.61	3.76	-55.06
O=C(NC1(CF)CCN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300030663522	0	55	0.0	-61.34	407.64	4.57	-56.77
O=C(NC1(CF)CCN(C(=O)C2CCC[N@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300030663522	1	55	0.0	-63.93	405.27	4.79	-59.14
CC(C)[C@@H](C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030663541	0	50	0.0	-62.55	374.90	2.97	-59.58
CC1CC[N@H+](CC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030663565	0	48	0.0	-62.38	375.54	2.91	-59.47
CC1CC[N@@H+](CC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030663565	1	48	0.0	-70.06	373.28	3.02	-67.04
CC1=[NH+]C=C2CC(C(=O)N3CCC(CF)(NC(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300030663567	1	50	0.0	-68.04	399.27	3.93	-64.11
CC1(C)CC[N@H+](CC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030663570	0	51	0.0	-68.40	395.74	3.60	-64.80
CC1(C)CC[N@@H+](CC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030663570	1	51	0.0	-66.44	397.47	3.61	-62.83
C[N@H+](CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030663571	0	53	0.0	-65.35	396.70	3.63	-61.72
C[N@@H+](CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030663571	1	53	0.0	-65.16	398.55	3.77	-61.39
CC[C@@H](C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030663582	0	47	0.0	-63.64	362.79	2.44	-61.20
CC(COCC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300030663590	0	55	0.0	-67.65	429.44	4.18	-63.47
CN(CCC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300030663734	0	50	0.0	-65.06	405.20	3.01	-62.05
CC1=[NH+]C=CN1CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030663842	1	43	0.0	-69.46	360.74	2.91	-66.55
CC(C[NH+]1CCOCC1)C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030663844	0	52	0.0	-69.88	400.09	1.83	-68.05
O=C(CCC[NH+]1CCCCC1)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030663864	0	54	0.0	-71.82	412.90	4.56	-67.26
C[NH+](C)CC1=CC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300030663884	1	47	0.0	-78.59	387.52	2.43	-76.16
CC1=C(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300030663885	0	46	0.0	-69.65	383.80	5.00	-64.65
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030663924	1	49	0.0	-68.69	396.98	4.05	-64.64
O=C(NC1(CF)CCN(C(=O)C2CCCC3CCC[N@@H+]32)C1)C1=CC(=O)[N-]O1	REAL300030663972	0	52	0.0	-61.79	381.61	3.39	-58.40
O=C(NC1(CF)CCN(C(=O)C2CCCC3CCC[N@H+]32)C1)C1=CC(=O)[N-]O1	REAL300030663972	1	52	0.0	-52.61	396.90	4.03	-48.58
CC[N@@H+]1CCOC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030664005	1	49	0.0	-76.50	382.05	2.29	-74.21
CC[N@H+]1CCOC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030664005	1	49	0.0	-74.85	381.50	2.21	-72.64
O=C(NC1(CF)CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300030664070	0	43	0.0	-71.45	355.41	4.38	-67.07
CC1=C[NH+]=CN1CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030664075	1	43	0.0	-74.34	361.09	3.65	-70.69
C[NH+](C)CCN1C=C(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300030664078	0	51	0.0	-71.55	408.16	2.31	-69.24
C[NH+](C)CCN1C=CC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030664088	0	51	0.0	-80.77	412.57	3.07	-77.70
C[C@@H]1[C@H](C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030664094	0	48	0.0	-69.92	365.01	2.17	-67.75
C[C@@H]1[C@H](C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030664094	1	48	0.0	-65.60	373.10	2.90	-62.70
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030664097	1	52	0.0	-64.75	416.85	4.55	-60.20
CC[C@@H]1[C@@H](C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030664100	0	51	0.0	-77.60	383.59	2.84	-74.76
CC[C@@H]1[C@@H](C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030664100	1	51	0.0	-67.10	387.63	3.07	-64.03
CC1CCC(C)[NH+]1CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030664118	0	51	0.0	-66.66	383.78	3.14	-63.52
O=C(CCC[NH+]1CCCC1)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030664124	0	51	0.0	-75.23	399.56	3.77	-71.46
C[NH+](C)CC1=CC=CC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030664125	0	51	0.0	-68.10	401.97	4.21	-63.89
C#CC[NH+]1CCC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030664133	0	50	0.0	-74.85	399.14	3.98	-70.87
O=C(CC[NH+]1CCCCC1)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030664134	0	51	0.0	-71.58	391.39	3.76	-67.82
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030664139	0	51	0.0	-71.49	405.04	4.46	-67.03
CC[N@@H+]1CCCCC1C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030664146	0	51	0.0	-62.77	387.49	3.49	-59.28
CC[N@H+]1CCCCC1C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030664146	1	51	0.0	-67.25	385.74	3.49	-63.76
CC(C)C(C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300030664147	0	57	0.0	-63.65	416.56	4.99	-58.66
C[NH+](C)C(C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300030664150	1	51	0.0	-66.41	399.17	4.52	-61.89
O=C(CN1C=[NH+]C2=C1CCCC2)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030664155	1	50	0.0	-64.53	400.40	5.28	-59.25
C[NH+](C)CC1(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)CCCCC1	REAL300030664197	0	57	0.0	-75.96	404.35	4.51	-71.45
C[N@H+](CCC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300030664203	0	57	0.0	-76.57	429.72	4.93	-71.64
C[N@@H+](CCC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300030664203	1	57	0.0	-73.06	425.80	4.92	-68.14
C[NH+](C)C1(CC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030664204	0	54	0.0	-73.25	391.27	3.77	-69.48
C[N@H+](CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030664411	0	48	0.0	-70.91	377.53	3.31	-67.60
C[N@@H+](CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030664411	1	48	0.0	-71.76	377.57	3.31	-68.45
CC(C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300030664441	0	54	0.0	-64.08	391.81	3.99	-60.09
O=C(CCCC[NH+]1CCCC1)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030664457	0	54	0.0	-70.92	422.23	4.65	-66.27
C[N@H+](CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300030664459	1	51	0.0	-78.04	408.08	4.92	-73.12
C[N@@H+](CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300030664459	1	51	0.0	-78.20	408.04	4.91	-73.29
C[NH+]1CCC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030664474	0	48	0.0	-75.27	371.09	2.81	-72.46
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030664532	0	45	0.0	-69.51	349.26	1.83	-67.68
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030664532	1	45	0.0	-62.53	350.96	2.09	-60.44
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030664556	1	47	0.0	-66.35	372.68	3.01	-63.34
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030664556	1	47	0.0	-61.57	378.32	3.33	-58.24
C[N@@H+]1CCCC1CCC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030664564	0	51	0.0	-71.55	394.78	3.82	-67.73
C[N@H+]1CCCC1CCC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030664564	1	51	0.0	-67.26	394.36	3.40	-63.86
O=C(NC1(CF)CCN(C(=O)C23CCC[NH+](CCC2)C3)C1)C1=CC(=O)[N-]O1	REAL300030664576	0	52	0.0	-74.17	378.96	3.00	-71.17
O=C(NC1(CF)CCN(C(=O)C2CCC3CCCC[N@@H+]32)C1)C1=CC(=O)[N-]O1	REAL300030664583	0	52	0.0	-64.14	393.27	4.07	-60.07
O=C(NC1(CF)CCN(C(=O)C2CCC3CCCC[N@H+]32)C1)C1=CC(=O)[N-]O1	REAL300030664583	1	52	0.0	-63.27	392.55	4.04	-59.23
CCC[N@@H+]1CCCC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030664669	0	54	0.0	-65.18	400.50	4.21	-60.97
CCC[N@H+]1CCCC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030664669	1	54	0.0	-69.84	401.36	4.35	-65.49
CC(C)[N@@H+]1CCOC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030664690	1	52	0.0	-79.83	399.30	2.76	-77.07
CC(C)[N@H+]1CCOC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030664690	1	52	0.0	-67.05	391.87	2.58	-64.47
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030664708	0	55	0.0	-70.11	404.44	1.95	-68.16
C[N@@H+]1CCCCC1C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030664727	0	48	0.0	-68.86	364.74	2.58	-66.28
C[N@H+]1CCCCC1C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030664727	1	48	0.0	-67.16	371.31	2.85	-64.31
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030664755	0	54	0.0	-59.91	395.45	4.45	-55.46
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030664755	1	54	0.0	-63.02	406.39	3.83	-59.19
O=C(C[NH+]1CCC(CO)CC1)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030664773	0	52	0.0	-70.79	404.13	0.49	-70.30
C[NH+]1C2CCC1CC(=CC(=O)N1CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030664809	0	53	0.0	-71.81	401.31	4.08	-67.73
CC1C(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030664827	0	48	0.0	-63.96	371.11	2.56	-61.40
CC1C(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030664827	1	48	0.0	-64.92	365.90	2.15	-62.77
C[N@@H+]1CCCCC1CCC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030664829	0	54	0.0	-72.49	406.36	4.12	-68.37
C[N@H+]1CCCCC1CCC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030664829	1	54	0.0	-68.80	403.12	4.07	-64.73
NC1=[NH+]C2=C(C=C1C(=O)N1CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C1)CCC2	REAL300030664865	1	48	0.0	-63.72	382.15	1.86	-61.86
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030664945	0	51	0.0	-62.81	368.72	2.40	-60.41
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030664945	1	51	0.0	-61.56	370.50	2.11	-59.45
C[C@@H](C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030664967	0	44	0.0	-67.09	347.66	1.66	-65.43
C[NH+](C)CC1=CC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)=CC=N1	REAL300030664986	1	50	0.0	-63.30	397.99	2.79	-60.51
C=CCC(C)(C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030664991	0	51	0.0	-64.30	375.07	2.80	-61.50
NC1=C(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]C2=CC=CC=C21	REAL300030665019	1	47	0.0	-66.52	379.78	1.27	-65.25
O=C(CC[NH+]1CCCC1)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030665023	0	48	0.0	-70.82	379.22	3.06	-67.76
C[N@H+](CCO)CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030665033	1	45	0.0	-66.45	356.86	-1.35	-67.80
C[N@@H+](CCO)CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030665033	1	45	0.0	-65.78	356.74	-1.34	-67.12
O=C(NC1(CF)CCN(C(=O)C2C[N@@H+]3CCN2CCC3)C1)C1=CC(=O)[N-]O1	REAL300030665078	0	51	0.0	-77.81	376.86	0.47	-77.34
O=C(NC1(CF)CCN(C(=O)C2C[N@H+]3CCN2CCC3)C1)C1=CC(=O)[N-]O1	REAL300030665078	1	51	0.0	-87.73	373.67	0.73	-87.00
CC(C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300030665106	1	49	0.0	-69.96	388.33	3.27	-66.69
C[N@H+]1CC=C(CC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030665150	0	49	0.0	-73.36	390.46	3.68	-69.68
C[N@@H+]1CC=C(CC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030665150	1	49	0.0	-63.34	389.48	3.55	-59.79
C[S+](C)CCC(O)C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030665166	0	47	0.0	-78.35	388.75	0.79	-77.56
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030665188	0	49	0.0	-65.58	373.13	-1.20	-66.78
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030665188	1	49	0.0	-66.76	369.90	-0.94	-67.70
CN1CC[N@H+](C)CC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030665203	0	53	0.0	-68.24	400.11	1.13	-67.11
CN1CC[N@@H+](C)CC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030665203	1	53	0.0	-72.88	398.22	0.77	-72.11
CC(C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300030665204	0	52	0.0	-68.48	398.45	0.38	-68.10
CC(C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300030665204	1	52	0.0	-61.72	396.13	0.23	-61.49
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030665237	0	48	0.0	-64.76	391.78	2.14	-62.62
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030665244	0	52	0.0	-69.93	394.73	1.80	-68.13
C[N@H+]1CCCC(O)(CC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030665244	1	52	0.0	-71.17	385.11	1.60	-69.57
CC1C[NH+](CC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030665251	1	45	0.0	-70.89	358.71	2.40	-68.49
CC[N@@H+]1CCCC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030665258	0	51	0.0	-63.98	383.53	3.61	-60.37
CC[N@H+]1CCCC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030665258	1	51	0.0	-66.01	382.99	3.48	-62.53
NC1=[NH+]C=CC=C1CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030665268	0	44	0.0	-62.24	363.10	1.04	-61.20
O=C(NC1(CF)CCN(C(=O)C2CCC[N@@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300030665283	0	49	0.0	-72.55	379.60	3.13	-69.42
O=C(NC1(CF)CCN(C(=O)C2CCC[N@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300030665283	1	49	0.0	-58.75	379.37	3.02	-55.73
O=C(C=CC[NH+]1CCCC1)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030665334	0	49	0.0	-69.72	394.04	3.74	-65.98
O=C(NC1(CF)CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1)C1=CC(=O)[N-]O1	REAL300030665360	0	52	0.0	-66.55	393.92	3.81	-62.74
CC[N@H+](C)CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030665413	0	44	0.0	-65.51	346.60	1.89	-63.62
O=C(CN1CC2C=CC1C2)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030665478	0	47	0.0	-71.62	370.95	3.29	-68.33
O=C(C[N@@H+]1CC2C=CC1C2)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030665478	1	47	0.0	-63.27	368.11	3.19	-60.08
O=C(C[N@H+]1CC2C=CC1C2)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030665478	1	47	0.0	-63.27	368.11	3.19	-60.08
CC1=CC=C(NCCC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)N=C1	REAL300030665502	0	50	0.0	-65.66	409.58	2.75	-62.91
CC1=CC=C(NCCC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)[NH+]=C1	REAL300030665502	1	50	0.0	-65.66	409.58	2.75	-62.91
O=C(NC1(CF)CCN(C(=O)C23CCC[N@@H+]2CCCC3)C1)C1=CC(=O)[N-]O1	REAL300030665630	0	52	0.0	-65.41	375.52	2.94	-62.47
O=C(NC1(CF)CCN(C(=O)C23CCC[N@H+]2CCCC3)C1)C1=CC(=O)[N-]O1	REAL300030665630	1	52	0.0	-65.41	375.52	2.94	-62.47
O=C(NC1(CF)CCN(C(=O)C23CCC[N@@H+]2CC=CC3)C1)C1=CC(=O)[N-]O1	REAL300030665641	0	50	0.0	-64.56	368.19	2.84	-61.72
O=C(NC1(CF)CCN(C(=O)C23CCC[N@H+]2CC=CC3)C1)C1=CC(=O)[N-]O1	REAL300030665641	1	50	0.0	-64.56	368.19	2.84	-61.72
CC(OCC[NH+](C)C)C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030665652	0	51	0.0	-70.58	399.98	2.90	-67.68
C[NH+](C)CCOCCC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030665664	0	51	0.0	-70.15	404.22	2.11	-68.04
COCCN(C)CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030665666	0	48	0.0	-65.45	378.99	1.06	-64.39
COCC[N@H+](C)CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030665666	1	48	0.0	-66.54	379.11	1.05	-65.49
COCC[N@@H+](C)CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030665666	1	48	0.0	-66.54	379.11	1.05	-65.49
CC(CCC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030665673	0	50	0.0	-71.42	384.75	3.07	-68.35
CC[N@H+](CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030665709	0	48	0.0	-68.08	373.57	3.31	-64.77
CC1C[N@@H+]2CCN1C(C(=O)N1CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030665727	0	51	0.0	-72.28	377.73	-0.06	-72.34
C[N@@H+]1CC2CC1(C(=O)N1CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030665758	0	46	0.0	-67.47	357.23	2.55	-64.92
CC1=NC(N)=CC=C1C=CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030665768	0	48	0.0	-69.30	394.84	2.02	-67.28
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030665768	1	48	0.0	-69.30	394.84	2.02	-67.28
O=C(C[N@@H+]1CC2CCC1C2)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030665776	0	49	0.0	-61.63	374.47	3.13	-58.50
O=C(C[N@H+]1CC2CCC1C2)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030665776	1	49	0.0	-61.63	374.47	3.13	-58.50
CC(C)[NH+]1CCC(CC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030665791	0	57	0.0	-66.01	428.21	4.92	-61.09
CC(C[NH+](C)C)C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030665805	0	47	0.0	-70.40	368.81	2.45	-67.95
C[C@H](C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030665850	0	44	0.0	-68.35	346.33	1.67	-66.68
CC[N@@H+]1CCC1C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030665861	1	45	0.0	-64.97	352.72	1.92	-63.05
CC[N@H+]1CCC1C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030665861	1	45	0.0	-66.24	352.73	2.00	-64.24
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030665875	0	54	0.0	-71.77	405.75	3.77	-68.00
CC(C)[N@H+]1CCCC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030665875	1	54	0.0	-61.28	398.02	4.05	-57.23
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030665896	0	53	0.0	-65.50	395.76	1.78	-63.72
C#CC[N@H+]1CCCCC1C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030665948	1	50	0.0	-73.78	389.98	3.77	-70.01
C#CC[N@@H+]1CCCCC1C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030665948	1	50	0.0	-69.10	389.42	3.74	-65.36
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030665952	1	47	0.0	-65.43	381.81	1.91	-63.52
NC1=CC=[NH+]C=C1C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030665953	0	41	0.0	-71.43	340.54	-0.68	-72.11
CCCC(C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030665965	0	50	0.0	-68.51	379.03	3.08	-65.43
C[NH+](C)C(C)(C)C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030665973	0	47	0.0	-71.71	348.07	1.95	-69.76
CC(CC[NH+](C)C)C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030665999	0	50	0.0	-74.77	392.16	3.10	-71.67
O=C(NC1(CF)CCN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1)C1=CC(=O)[N-]O1	REAL300030666054	0	55	0.0	-69.63	402.97	3.92	-65.71
O=C(NC1(CF)CCN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1)C1=CC(=O)[N-]O1	REAL300030666054	1	55	0.0	-62.48	405.93	4.68	-57.80
O=C(NC1(CF)CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1)C1=CC(=O)[N-]O1	REAL300030666090	0	50	0.0	-65.63	381.56	3.71	-61.92
O=C(NC1(CF)CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1)C1=CC(=O)[N-]O1	REAL300030666090	1	50	0.0	-67.07	386.21	4.24	-62.83
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030666144	0	51	0.0	-62.04	391.05	3.16	-58.88
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030666144	1	51	0.0	-61.98	390.40	3.24	-58.74
C[NH+](C)CCCCCC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030666149	0	53	0.0	-72.68	414.26	4.24	-68.44
O=C(CC[NH+]1CCC(O)CC1)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030666154	0	52	0.0	-75.16	402.03	0.37	-74.79
CCC[N@@H+]1CCCCC1C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030666160	0	54	0.0	-66.33	408.96	4.22	-62.11
CCC[N@H+]1CCCCC1C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030666160	1	54	0.0	-64.70	411.90	4.26	-60.44
CC[NH+]1CCN(CCC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030666169	0	56	0.0	-75.76	429.53	1.98	-73.78
CCN1CC[NH+](CCC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030666169	1	56	0.0	-71.52	429.33	2.02	-69.50
C[NH+]1CCN(CC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030666172	1	50	0.0	-67.88	391.67	0.83	-67.05
CC(C)C[NH+]1CCC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030666301	0	57	0.0	-73.54	430.83	4.92	-68.62
CC1C[N@H+](C)CC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030666304	1	49	0.0	-89.27	378.65	1.92	-87.35
CC1C[N@@H+](C)CC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030666304	1	49	0.0	-69.51	385.66	2.36	-67.15
CCC1CCC[N@H+](CC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030666338	0	54	0.0	-65.49	406.17	3.99	-61.50
CCC1CCC[N@@H+](CC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030666338	1	54	0.0	-73.49	412.35	4.43	-69.06
C[NH+](C)CC1=CC=C(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030666348	0	49	0.0	-72.23	393.59	2.61	-69.62
O=C(C[NH+]1CC2CC2C1)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030666370	0	46	0.0	-65.38	364.33	3.11	-62.27
O=C(CC1([NH+]2CCCC2)CC1)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030666388	0	52	0.0	-66.58	395.91	4.07	-62.51
CC([NH2+]C1(CO)CCCC1)C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030666405	0	55	0.0	-63.39	400.89	-1.18	-64.57
C[N@@H+]1CCCCC1C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030666438	0	48	0.0	-68.86	364.74	2.58	-66.28
C[N@H+]1CCCCC1C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030666438	1	48	0.0	-67.16	371.31	2.85	-64.31
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030666450	0	57	0.0	-69.82	416.06	4.99	-64.83
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030666450	1	57	0.0	-75.07	433.35	4.94	-70.13
C[NH+](C)C1CCN(CC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030666515	0	56	0.0	-70.03	424.13	2.01	-68.02
C[N@@H+]1CCC(=CC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030666587	0	46	0.0	-82.94	365.80	2.80	-80.14
C[N@H+]1CCC(=CC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030666587	1	46	0.0	-80.71	367.18	2.85	-77.86
O=C(CNC1=CC=[NH+]C=C1)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030666593	0	44	0.0	-69.11	364.78	0.58	-68.53
CC[NH+]1CCN(CC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030666663	0	53	0.0	-68.56	407.55	1.48	-67.08
O=C(C=C1C[NH+]2CCC1CC2)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030666666	0	50	0.0	-67.48	386.27	3.75	-63.73
C[NH+](C)C1(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030666715	0	51	0.0	-74.15	371.69	2.84	-71.31
C[N@H+](CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300030666730	0	52	0.0	-63.78	402.48	0.65	-63.13
C[N@@H+](CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300030666730	1	52	0.0	-61.38	401.23	0.62	-60.76
CCC1C[NH+](CC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030666736	0	48	0.0	-69.58	381.82	3.19	-66.39
O=C(NC1(CF)CCN(C(=O)C2C[NH+](C3CCOCC3)C2)C1)C1=CC(=O)[N-]O1	REAL300030666740	0	53	0.0	-75.78	413.87	2.30	-73.48
O=C(NC1(CF)CCN(C(=O)C2([NH+]3CCCC3)CCC2)C1)C1=CC(=O)[N-]O1	REAL300030666742	0	52	0.0	-60.26	383.03	3.52	-56.74
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030666757	0	45	0.0	-68.07	349.60	2.15	-65.92
C[N@H+]1CCC[C@H]1C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030666757	1	45	0.0	-64.72	347.73	1.78	-62.94
CC[N@@H+]1CCOCC1CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030666797	0	52	0.0	-64.44	393.98	1.55	-62.89
O=C(NC1(CF)CCN(C(=O)C2C[NH+](C3CCCCC3)C2)C1)C1=CC(=O)[N-]O1	REAL300030666825	0	55	0.0	-73.20	422.67	4.66	-68.54
COC1C[N@@H+]2CCCC2(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030666841	0	53	0.0	-59.59	398.19	1.40	-58.19
COC1C[N@H+]2CCCC2(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030666841	1	53	0.0	-59.59	398.19	1.40	-58.19
NC1=CC=C(CCC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300030666851	0	47	0.0	-69.40	389.92	1.83	-67.57
O=C(CC1=CC2=C[NH+]=CN2C=C1)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030666859	0	46	0.0	-69.71	385.20	5.52	-64.19
NC1=[NH+]C2=CC(C(=O)N3CCC(CF)(NC(=O)C4=CC(=O)[N-]O4)C3)=CC=C2N1	REAL300030666909	1	45	0.0	-61.22	368.00	1.94	-59.28
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030666957	0	48	0.0	-65.42	382.06	3.06	-62.36
C[NH+](C)CCC1(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030666970	0	57	0.0	-55.91	421.34	4.23	-51.68
CC1CCCC(C)[NH+]1CCC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030666972	0	57	0.0	-67.68	421.31	4.46	-63.22
C[NH+](C)C1CCC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030666975	0	54	0.0	-62.88	398.89	3.71	-59.17
C[NH+](C)CCC1(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030666976	0	51	0.0	-76.84	398.74	3.68	-73.16
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030666978	0	54	0.0	-63.12	401.54	4.00	-59.12
C[N@@H+]1CC=CCC1CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030666979	0	49	0.0	-65.46	377.19	3.34	-62.12
C[N@H+]1CC=CCC1CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030666979	1	49	0.0	-65.46	377.19	3.34	-62.12
CC1=CC(C=CC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)=CN=C1N	REAL300030667039	0	48	0.0	-71.63	395.04	2.32	-69.31
CC1=CC(C=CC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)=C[NH+]=C1N	REAL300030667039	1	48	0.0	-71.63	395.04	2.32	-69.31
C[NH+](C)CCOCC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030667053	0	48	0.0	-73.06	385.21	2.31	-70.75
CCCCC[N@H+](C)CCC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030667059	0	56	0.0	-70.75	437.01	4.89	-65.86
CCCCC[N@@H+](C)CCC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030667059	1	56	0.0	-70.75	437.01	4.89	-65.86
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030667072	0	52	0.0	-71.11	407.94	3.18	-67.93
[NH2+]=C1SC=CN1CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030667103	0	41	0.0	-61.95	355.92	1.40	-60.55
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030667192	0	51	0.0	-71.13	400.10	2.85	-68.28
O=C(CC[NH+]1CCCCCC1)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030667259	0	54	0.0	-72.26	404.91	3.96	-68.30
O=C(C[NH+]1CCCCC1)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030667263	0	48	0.0	-69.05	372.64	3.16	-65.89
C[N@@H+]1CCCC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030667265	0	48	0.0	-70.93	371.04	2.64	-68.29
C[N@H+]1CCCC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030667265	1	48	0.0	-62.53	363.30	2.87	-59.66
O=C(C[NH+]1CCC(CO)CC1)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030667266	0	52	0.0	-70.79	404.13	0.49	-70.30
O=C(C[NH+]1CCCCCC1)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030667272	0	51	0.0	-69.33	381.86	3.36	-65.97
CN1C=C[N+](CC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030667279	0	43	0.0	-66.47	361.95	4.84	-61.63
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030667297	0	57	0.0	-79.62	407.30	3.41	-76.21
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030667297	1	57	0.0	-78.54	408.47	3.90	-74.64
C[NH+](C)CC1=CC=C(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030667302	1	48	0.0	-82.50	389.77	2.95	-79.55
C[NH+](C)CC1=CC=C(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300030667310	0	50	0.0	-66.34	397.82	2.71	-63.63
O=C(C[NH+]1CCC(O)CC1)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030667327	1	49	0.0	-73.46	383.54	-0.17	-73.63
C[N@@H+](CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030667333	1	45	0.0	-68.42	356.80	2.71	-65.71
CC(C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300030667335	1	53	0.0	-72.85	398.58	0.85	-72.00
O=C(CC[N@H+]1CCC(F)C1)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030667339	1	48	0.0	-74.17	385.15	3.14	-71.03
COC1C[N@@H+](C)C(C)(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030667354	1	52	0.0	-64.45	394.92	1.25	-63.20
CC(CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030667376	0	50	0.0	-72.34	388.09	3.33	-69.01
O=C(NC1(CF)CCN(C(=O)C2CC[N@@H+]3CCOCC23)C1)C1=CC(=O)[N-]O1	REAL300030667398	0	50	0.0	-63.28	380.40	1.41	-61.87
O=C(NC1(CF)CCN(C(=O)C2CC[N@H+]3CCOCC23)C1)C1=CC(=O)[N-]O1	REAL300030667398	1	50	0.0	-76.75	387.09	1.49	-75.26
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(CF)(NC(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300030667404	0	46	0.0	-67.67	376.82	4.18	-63.49
CN1CCOCC1CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030667424	0	49	0.0	-75.37	381.17	1.13	-74.24
C[N@@H+]1CCOCC1CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030667424	1	49	0.0	-81.08	383.02	1.21	-79.87
C[N@H+]1CCOCC1CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030667424	1	49	0.0	-75.37	381.17	1.13	-74.24
CC[NH+]1CCN(CC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030667435	0	53	0.0	-68.56	407.55	1.48	-67.08
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030667503	1	44	0.0	-71.32	361.98	0.57	-70.75
NC1=CC=C(CCC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300030667506	0	47	0.0	-69.40	389.92	1.83	-67.57
CC1(O)CC[N@@H+](CC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030667561	1	49	0.0	-65.64	385.19	-0.37	-66.01
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030667569	0	51	0.0	-61.81	404.20	2.37	-59.44
C[NH+]1CC(CC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030667604	0	45	0.0	-69.99	362.01	2.18	-67.81
O=C(NC1(CF)CCN(C(=O)C2CC[N@@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300030667610	0	52	0.0	-68.86	391.75	3.75	-65.11
O=C(NC1(CF)CCN(C(=O)C2CC[N@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300030667610	1	52	0.0	-64.70	398.94	3.96	-60.74
C[NH+](C)CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030667619	0	41	0.0	-69.94	330.72	1.32	-68.62
C[N@H+](CCO)CCC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030667659	0	48	0.0	-69.80	382.87	-0.63	-70.43
C[N@@H+](CCO)CCC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030667659	1	48	0.0	-71.54	377.82	-0.70	-72.24
C[C@@H](C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030667660	0	44	0.0	-67.09	347.66	1.66	-65.43
C[N@@H+]1CCCCC1CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030667684	0	51	0.0	-75.82	390.12	3.47	-72.35
C[N@H+]1CCCCC1CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030667684	1	51	0.0	-68.00	388.31	3.45	-64.55
CC1=C2C=C(C(=O)N3CCC(CF)(NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030667714	1	46	0.0	-73.28	377.61	4.97	-68.31
CC(C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300030667715	0	48	0.0	-76.45	376.06	2.84	-73.61
CC1CCN1CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030667721	0	45	0.0	-67.12	354.72	2.11	-65.01
CC1CC[N@@H+]1CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030667721	1	45	0.0	-68.55	362.05	2.43	-66.12
CC1CC[N@H+]1CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030667721	1	45	0.0	-67.12	354.72	2.11	-65.01
C[NH+](C)CC=CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030667739	0	45	0.0	-73.72	367.10	2.58	-71.14
CC1(C)C[NH+](CC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030667753	1	48	0.0	-70.78	377.99	2.91	-67.87
O=C(CCCC[NH+]1CCCCC1)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030667767	0	57	0.0	-71.14	437.44	5.32	-65.82
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030667780	1	49	0.0	-64.78	400.95	2.64	-62.14
C[NH+]1CCC(C2(C(=O)N3CCC(CF)(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030667791	0	55	0.0	-66.18	411.89	4.38	-61.80
CC1=C2C=C(C(=O)N3CCC(CF)(NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030667801	1	46	0.0	-73.28	377.61	4.97	-68.31
C[NH+](C)CCSCC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030667813	0	48	0.0	-79.24	396.24	3.16	-76.08
O=C(C[N@@H+]1CCCC1CO)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030667842	1	49	0.0	-69.92	377.05	-0.65	-70.57
CC[NH+](CC)CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030667846	0	47	0.0	-69.41	363.13	2.64	-66.77
C[N@H+](CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300030667857	0	49	0.0	-76.33	386.74	3.55	-72.78
C[N@@H+](CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300030667857	1	49	0.0	-78.16	391.69	3.59	-74.57
O=C(C[NH+]1CCC1)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030667859	1	42	0.0	-71.25	337.57	1.79	-69.46
CC[NH+](CC)CCC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030667919	0	50	0.0	-71.62	380.99	2.96	-68.66
NC(=O)C1CC[NH+](CC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030667944	0	52	0.0	-82.17	408.37	-0.14	-82.31
C[NH+](C)CC1=CNC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030667996	0	49	0.0	-73.72	392.63	2.76	-70.96
CC(C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300030668017	0	52	0.0	-70.27	386.42	-0.21	-70.48
O=C(NC1(CF)CCN(C(=O)C2CC3COCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030668025	0	50	0.0	-71.09	383.77	1.47	-69.62
O=C(NC1(CF)CCN(C(=O)C2CC3COCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030668025	1	50	0.0	-62.70	384.84	1.42	-61.28
CC(C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030668043	1	45	0.0	-69.52	355.07	2.16	-67.36
CCC(CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030668054	0	53	0.0	-67.13	406.16	3.98	-63.15
NC1=CC=C(C=CC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300030668062	0	45	0.0	-72.69	377.24	1.56	-71.13
C[NH+](C)CC(C)(C)C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030668063	0	50	0.0	-61.31	369.13	2.49	-58.82
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030668136	0	48	0.0	-72.44	359.95	2.41	-70.03
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030668136	1	48	0.0	-61.13	368.61	2.71	-58.42
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030668153	0	51	0.0	-68.71	377.54	-0.15	-68.86
CC1CN2CC[N@H+]1CC2C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030668153	1	51	0.0	-63.03	378.88	-0.14	-63.17
C[NH+](C)CC(O)CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030668182	0	48	0.0	-74.44	383.34	0.40	-74.04
C[NH+]1C2CCC1CC(C(=O)N1CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030668185	0	52	0.0	-64.51	362.94	3.27	-61.24
C=CCC(C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030668230	0	48	0.0	-66.09	367.90	2.62	-63.47
O=C(NC1(CF)CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030668242	0	52	0.0	-65.31	395.97	3.83	-61.48
O=C(NC1(CF)CCN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030668242	1	52	0.0	-72.43	392.77	3.81	-68.62
C[NH+]1CCC(C)(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030668256	0	51	0.0	-62.35	376.04	2.84	-59.51
C[NH+]1CCC(O)(CC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030668261	0	52	0.0	-72.12	403.17	1.68	-70.44
COCC[N@@H+]1CCCC1CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030668276	0	55	0.0	-61.76	421.86	3.23	-58.53
COCC[N@H+]1CCCC1CC(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030668276	1	55	0.0	-66.96	427.50	2.78	-64.18
C[NH+]1C2CCC1CC(CC(=O)N1CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030668288	0	55	0.0	-69.24	393.07	3.77	-65.47
C[NH+](C)CCN1N=CC=C1C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030668318	0	51	0.0	-63.74	405.90	2.62	-61.12
C[NH+]1CCC(C2(C(=O)NC3(CF)CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030668356	0	55	0.0	-66.46	412.96	4.91	-61.55
CC1=C2C=C(C(=O)NC3(CF)CCN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030668366	1	46	0.0	-68.91	380.22	5.32	-63.59
C[NH+](C)CCSCC(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030668375	0	48	0.0	-71.73	394.76	3.18	-68.55
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2COCC[N@@H+]2C1	REAL300030668385	0	50	0.0	-62.80	387.81	1.58	-61.22
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2COCC[N@H+]2C1	REAL300030668385	1	50	0.0	-68.03	386.87	1.53	-66.50
C[N@@H+]1CCCC1C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030668545	0	49	0.0	-78.53	373.21	3.19	-75.34
C[N@H+]1CCCC1C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030668545	1	49	0.0	-73.27	369.21	3.02	-70.25
C[N@@H+]1CCOC(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030668569	1	50	0.0	-82.24	385.56	2.97	-79.27
C[N@H+]1CCOC(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030668569	1	50	0.0	-76.23	379.04	2.74	-73.49
CC(C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300030668740	0	58	0.0	-70.81	417.86	4.89	-65.92
CC(C)[N@@H+]1CCCCC1C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030668742	0	58	0.0	-72.42	426.49	5.15	-67.27
CC(C)[N@H+]1CCCCC1C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030668742	1	58	0.0	-72.41	419.91	5.26	-67.15
CC(C)[N@@H+]1CCCC1C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030668763	0	55	0.0	-71.33	401.51	4.71	-66.62
CC(C)[N@H+]1CCCC1C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030668763	1	55	0.0	-69.71	407.63	4.56	-65.15
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@@H+]2C1	REAL300030668780	0	56	0.0	-78.06	420.93	5.36	-72.70
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@H+]2C1	REAL300030668780	1	56	0.0	-74.44	416.39	5.15	-69.29
CC(C)C1=[NH+]C=CN1CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030668802	1	53	0.0	-72.91	419.08	5.34	-67.57
CC1=[NH+]C=CN1CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030668836	1	47	0.0	-74.52	382.75	4.24	-70.28
CC(C[NH+]1CCOCC1)C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030668838	0	56	0.0	-75.96	420.15	3.18	-72.78
O=C(CCC[NH+]1CCCCC1)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030668855	0	58	0.0	-79.53	438.37	5.82	-73.71
CC(C)(C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300030668874	0	58	0.0	-78.53	422.99	5.59	-72.94
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCC1CC2	REAL300030668884	0	53	0.0	-88.71	395.02	4.47	-84.24
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1CCCC2CCC[N@@H+]21	REAL300030668930	0	56	0.0	-70.78	418.06	5.45	-65.33
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1CCCC2CCC[N@H+]21	REAL300030668930	1	56	0.0	-70.25	404.34	5.05	-65.20
C[C@@H]1[C@H](C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030668946	0	52	0.0	-84.64	389.93	3.60	-81.04
C[C@@H]1[C@H](C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030668946	1	52	0.0	-75.25	391.11	3.75	-71.50
CC[C@@H]1[C@@H](C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030668951	0	55	0.0	-79.16	410.27	4.32	-74.84
CC[C@@H]1[C@@H](C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030668951	1	55	0.0	-80.76	415.13	4.68	-76.08
CC[N@@H+]1CCOC(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030668966	1	53	0.0	-85.11	401.06	3.63	-81.48
CC[N@H+]1CCOC(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030668966	1	53	0.0	-80.53	403.95	3.55	-76.98
CC[NH+](CC)CC(F)C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030669012	0	54	0.0	-76.63	405.40	3.99	-72.64
CC1CCC(C)[NH+]1CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030669085	0	55	0.0	-71.23	406.61	4.46	-66.77
O=C(CCC[NH+]1CCCC1)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030669091	0	55	0.0	-74.24	418.66	4.98	-69.26
C[NH+](C)CC1=CC=CC(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)=C1	REAL300030669092	0	55	0.0	-82.81	431.64	6.10	-76.71
C#CC[NH+]1CCC(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030669097	0	54	0.0	-78.00	418.43	5.28	-72.72
O=C(CC[NH+]1CCCCC1)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030669098	0	55	0.0	-78.92	416.86	5.03	-73.89
C[NH+](C)CC1=CC=CC=C1C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030669101	0	55	0.0	-66.64	424.19	6.34	-60.30
CC[N@@H+]1CCCCC1C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030669105	0	55	0.0	-72.88	403.72	4.71	-68.17
CC[N@H+]1CCCCC1C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030669105	1	55	0.0	-70.89	398.59	4.59	-66.30
C[NH+](C)C(C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030669108	1	55	0.0	-73.43	423.92	5.95	-67.48
CC(C)C[N@@H+]1CCC(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030669125	0	58	0.0	-74.73	434.99	5.40	-69.33
CC(C)C[N@H+]1CCC(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030669125	1	58	0.0	-78.17	439.11	5.66	-72.51
C[NH+](C)C1(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300030669129	0	52	0.0	-86.66	386.17	4.20	-82.46
CC(C)[N@@H+]1CCCC1CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030669131	0	58	0.0	-72.05	424.94	4.72	-67.33
CC(C)[N@H+]1CCCC1CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030669131	1	58	0.0	-68.72	424.03	4.76	-63.96
CC(C)[C@@H](C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030669146	0	54	0.0	-72.21	398.46	4.56	-67.65
C[N@H+](CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030669195	0	52	0.0	-72.84	395.30	4.45	-68.39
C[N@@H+](CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030669195	1	52	0.0	-74.82	399.66	4.61	-70.21
CC(C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300030669259	0	58	0.0	-69.12	419.42	4.73	-64.39
CN(CCC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=CC=[NH+]C=C1	REAL300030669315	0	54	0.0	-75.17	428.17	4.28	-70.89
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030669323	1	51	0.0	-72.86	395.39	4.21	-68.65
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030669323	1	51	0.0	-72.52	401.35	4.74	-67.78
C[N@@H+]1CCCC1CCC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030669329	0	55	0.0	-75.93	416.36	4.93	-71.00
C[N@H+]1CCCC1CCC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030669329	1	55	0.0	-78.28	415.27	4.66	-73.62
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+](CCC1)C2	REAL300030669340	0	56	0.0	-78.89	410.82	4.82	-74.07
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1CCC2CCCC[N@@H+]21	REAL300030669347	0	56	0.0	-69.13	416.67	5.39	-63.74
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1CCC2CCCC[N@H+]21	REAL300030669347	1	56	0.0	-72.72	421.07	5.58	-67.14
O=C(CCCC[NH+]1CCCC1)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030669367	0	58	0.0	-80.61	444.76	5.92	-74.69
C[N@H+](CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300030669369	1	55	0.0	-81.71	429.98	6.22	-75.49
C[N@@H+](CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300030669369	1	55	0.0	-79.01	425.90	6.06	-72.95
C[NH+]1CCC(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030669380	0	52	0.0	-77.14	393.76	4.13	-73.01
C[NH+](C)CC1=CC(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)=NO1	REAL300030669421	1	51	0.0	-86.01	411.51	3.57	-82.44
CC1=C(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300030669422	0	50	0.0	-79.29	397.72	6.49	-72.80
C[N@@H+]1CCCCC1C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030669454	0	52	0.0	-72.18	395.32	4.22	-67.96
C[N@H+]1CCCCC1C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030669454	1	52	0.0	-71.14	391.15	4.06	-67.08
CC(C)C[N@@H+]1CCCC1C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030669477	0	58	0.0	-74.18	438.36	5.79	-68.39
CC(C)C[N@H+]1CCCC1C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030669477	1	58	0.0	-72.71	427.12	5.16	-67.55
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=CN2C=[NH+]C=C2C=C1	REAL300030669582	0	47	0.0	-80.28	383.60	6.11	-74.17
CC1=[NH+]C=CN1CCCC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030669591	1	53	0.0	-77.15	424.29	5.54	-71.61
C[NH+](C)CC1=CC=C(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300030669596	0	55	0.0	-91.57	431.57	6.10	-85.47
O=C(CC[NH+]1CCOCC1)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030669597	1	53	0.0	-78.07	404.10	2.45	-75.62
CC1=C[NH+]=CN1CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030669628	1	47	0.0	-77.77	383.19	4.95	-72.82
O=C(CN1C=[NH+]C2=C1CCCC2)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030669634	1	54	0.0	-72.66	420.78	6.54	-66.12
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+]1CCC2	REAL300030669670	0	53	0.0	-83.81	397.80	4.63	-79.18
C[NH+](C)C1CCCC(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030669699	0	58	0.0	-70.17	421.09	5.11	-65.06
C[N@@H+]1CCC(CC(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030669702	0	52	0.0	-80.29	400.32	4.20	-76.09
C[N@H+]1CCC(CC(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030669702	1	52	0.0	-76.01	394.72	4.09	-71.92
CN(C)C1=CC=[NH+]C=C1C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030669714	0	51	0.0	-89.20	404.20	3.44	-85.76
CCC(C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030669719	0	51	0.0	-71.95	378.37	3.46	-68.49
C[NH+](C)C1(CC(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300030669733	0	58	0.0	-76.12	413.03	4.90	-71.22
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=CC2=C[NH+]=CN2C=C1	REAL300030669777	1	47	0.0	-77.50	379.26	5.96	-71.54
C[NH+](C)CCCCC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030669835	0	54	0.0	-75.65	414.20	4.59	-71.06
CC(C)C(C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030669855	0	54	0.0	-72.15	396.25	4.73	-67.42
CCC[N@H+](C)CCC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030669857	0	54	0.0	-80.32	414.91	4.59	-75.73
CCC[N@@H+](C)CCC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030669857	1	54	0.0	-80.63	415.03	4.57	-76.06
CCC[N@H+](C)CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030669863	0	51	0.0	-74.91	388.15	3.84	-71.07
CCC[N@@H+](C)CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030669863	1	51	0.0	-74.82	388.43	3.87	-70.95
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C12CC[N@H+](C1)CCC2	REAL300030669887	0	53	0.0	-80.95	395.50	3.81	-77.14
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C12CC[N@@H+](C1)CCC2	REAL300030669887	1	53	0.0	-74.67	390.52	3.75	-70.92
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030669927	0	49	0.0	-78.71	373.31	3.16	-75.55
C[N@H+]1CCC[C@@H]1C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030669927	1	49	0.0	-71.62	374.06	3.50	-68.12
CCCCCC[N@H+](C)CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030669987	0	60	0.0	-78.27	457.16	6.35	-71.92
CCCCCC[N@@H+](C)CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030669987	1	60	0.0	-76.00	452.92	6.22	-69.78
CC[NH+](CC)C(C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300030669992	0	60	0.0	-69.85	428.92	5.64	-64.21
CC[NH+](CC)CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030670001	0	51	0.0	-73.00	380.22	3.51	-69.49
CCC[N@@H+]1CCCC(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030670033	0	58	0.0	-78.33	437.04	5.64	-72.69
CCC[N@H+]1CCCC(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030670033	1	58	0.0	-77.97	436.69	5.70	-72.27
CC(C)[N@@H+]1CCOC(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030670050	0	56	0.0	-82.98	417.77	4.16	-78.82
CC(C)[N@H+]1CCOC(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030670050	1	56	0.0	-86.64	425.29	4.23	-82.41
CC1CC[NH+](CC(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030670082	0	55	0.0	-74.95	411.58	4.92	-70.03
C[NH+]1CCC(OCC(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030670110	0	56	0.0	-79.10	428.87	4.51	-74.59
C[NH+](C)CC1(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030670124	0	52	0.0	-74.07	400.21	4.19	-69.88
CC1=[NH+]C=C2CCC(C(=O)NCC3CC4CCC3N4C(=O)C3=CC(=O)[N-]O3)CN21	REAL300030670125	1	54	0.0	-68.47	416.46	5.18	-63.29
CC(C)[NH+]1CCC(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030670200	0	58	0.0	-74.62	428.08	5.32	-69.30
C[NH+]1CCC(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030670221	0	52	0.0	-77.14	393.76	4.13	-73.01
CC(C)[C@H](C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030670239	0	54	0.0	-77.38	402.45	4.87	-72.51
CCC(C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300030670270	0	57	0.0	-68.79	413.61	4.89	-63.90
CC[N@H+](C)CCC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030670332	0	51	0.0	-75.28	389.29	3.67	-71.61
CC[N@@H+](C)CCC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030670332	1	51	0.0	-79.60	393.42	3.84	-75.76
CC1CCC[N@@H+]1CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030670388	0	52	0.0	-71.54	386.87	3.88	-67.66
CC1CCC[N@H+]1CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030670388	1	52	0.0	-73.60	392.31	3.98	-69.62
CC1CC[N@H+](CC(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030670390	0	52	0.0	-75.45	399.46	4.29	-71.16
CC1CC[N@@H+](CC(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030670390	1	52	0.0	-76.08	398.44	4.44	-71.64
CC1=[NH+]C=C2CC(C(=O)NCC3CC4CCC3N4C(=O)C3=CC(=O)[N-]O3)CCN21	REAL300030670392	1	54	0.0	-77.76	422.54	5.38	-72.38
CC1(C)CC[N@H+](CC(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030670395	0	55	0.0	-76.38	418.64	4.85	-71.53
CC1(C)CC[N@@H+](CC(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030670395	1	55	0.0	-76.03	418.62	4.95	-71.08
C[N@H+](CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030670396	0	57	0.0	-74.73	417.55	4.82	-69.91
C[N@@H+](CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030670396	1	57	0.0	-74.20	419.53	5.02	-69.18
CC[C@@H](C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030670405	0	51	0.0	-74.64	384.30	3.61	-71.03
C[NH+]1CCC(O)(CC(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030670584	0	56	0.0	-79.26	424.17	2.93	-76.33
C[NH+](C)CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030670596	0	45	0.0	-77.55	353.43	2.61	-74.94
O=C(C[NH+]1CCC(CO)CC1)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030670600	1	56	0.0	-81.07	426.73	1.80	-79.27
O=C(C[NH+]1CCCCCC1)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030670602	0	55	0.0	-74.21	399.90	4.50	-69.71
CN1C=C[N+](CC(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)=C1	REAL300030670606	0	47	0.0	-72.46	380.43	5.98	-66.48
C[N@@H+]1CCCC(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030670613	0	52	0.0	-78.73	397.84	4.24	-74.49
C[N@H+]1CCCC(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030670613	1	52	0.0	-69.79	386.46	4.31	-65.48
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1CCC[N@@H+]1C1CC1	REAL300030670618	0	53	0.0	-69.61	405.71	5.03	-64.58
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1CCC[N@H+]1C1CC1	REAL300030670618	1	53	0.0	-77.87	403.85	4.47	-73.40
CC(C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030670647	1	49	0.0	-75.24	381.84	3.67	-71.57
CCC(CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030670653	0	57	0.0	-77.86	423.98	5.07	-72.79
C[NH+](C)CC(C)(C)C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030670660	0	54	0.0	-70.48	395.69	4.15	-66.33
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C12CC(C1)C[N@@H+]2C1CC1	REAL300030670678	0	54	0.0	-80.61	411.63	5.27	-75.34
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C12CC(C1)C[N@H+]2C1CC1	REAL300030670678	1	54	0.0	-81.77	410.85	5.90	-75.87
O=C(C[NH+]1CCC(O)CC1)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030670689	1	53	0.0	-82.09	406.52	1.15	-80.94
C[N@H+](CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030670690	0	49	0.0	-72.10	378.18	3.81	-68.29
C[N@@H+](CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030670690	1	49	0.0	-74.46	382.84	4.01	-70.45
CC(C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300030670691	1	57	0.0	-76.14	424.28	2.44	-73.70
C[NH+]1CC(CC(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030670710	0	49	0.0	-74.74	380.37	3.23	-71.51
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1CC[N@@H+]1C1CCCC1	REAL300030670714	0	56	0.0	-75.82	419.20	5.17	-70.65
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1CC[N@H+]1C1CCCC1	REAL300030670714	1	56	0.0	-73.99	419.46	5.24	-68.75
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030670722	0	55	0.0	-74.93	414.28	4.37	-70.56
CC(C)(C)[N@H+]1CCC1C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030670722	1	55	0.0	-74.69	414.48	4.44	-70.25
C[C@@H](C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030670733	0	48	0.0	-76.87	371.73	3.01	-73.86
CCC1CCC[N@H+](CC(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030670775	0	58	0.0	-76.89	433.97	5.80	-71.09
CCC1CCC[N@@H+](CC(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030670775	1	58	0.0	-74.77	429.90	5.54	-69.23
C[NH+](C)CC1=CC=C(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)N1	REAL300030670783	0	53	0.0	-95.06	420.05	4.04	-91.02
[NH2+]=C1SC=CN1CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030670828	0	45	0.0	-74.32	380.50	2.79	-71.53
C[N@H+](CCO)CCC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030670838	0	52	0.0	-80.06	403.88	0.61	-79.45
C[N@@H+](CCO)CCC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030670838	1	52	0.0	-78.51	403.75	0.60	-77.91
C[C@@H](C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030670839	0	48	0.0	-76.87	371.73	3.01	-73.86
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030670843	0	52	0.0	-72.68	381.14	3.96	-68.72
C[N@H+]1CCCC[C@@H]1C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030670843	1	52	0.0	-71.64	395.01	4.27	-67.37
CC1CN2CC[N@@H+]1CC2C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030670852	0	55	0.0	-78.64	399.54	1.42	-77.22
CC1CN2CC[N@H+]1CC2C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030670852	1	55	0.0	-88.61	404.51	1.50	-87.11
O=C(CC1=CC2=C[NH+]=CN2C=C1)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030670898	0	50	0.0	-73.58	403.60	6.65	-66.93
C[N@H+](CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300030670923	0	53	0.0	-80.37	408.55	4.71	-75.66
C[N@@H+](CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300030670923	1	53	0.0	-82.12	412.66	4.85	-77.27
O=C(C[NH+]1CCC1)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030670924	1	46	0.0	-77.41	363.73	3.03	-74.38
C[NH+](C)CC1=CC(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)=CC=N1	REAL300030670954	1	54	0.0	-74.55	423.03	4.46	-70.09
C[N@@H+]1CCC(=CC(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030670956	0	50	0.0	-82.29	391.80	4.22	-78.07
C[N@H+]1CCC(=CC(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030670956	1	50	0.0	-82.33	391.19	4.19	-78.14
C[NH+](C)CCOCC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030670990	0	52	0.0	-74.07	404.50	3.51	-70.56
CCCCC[N@H+](C)CCC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030670996	0	60	0.0	-81.17	457.92	6.16	-75.01
CCCCC[N@@H+](C)CCC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030670996	1	60	0.0	-81.56	458.03	6.14	-75.42
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)O1	REAL300030671005	0	56	0.0	-74.70	428.00	4.41	-70.29
C=CCC(C)(C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030671012	0	55	0.0	-77.84	403.45	4.76	-73.08
C[S+](C)CCC(O)C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671017	0	51	0.0	-76.20	413.68	2.11	-74.09
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671044	0	53	0.0	-89.21	400.87	0.75	-88.46
CN1CC[N@H+](C)CC(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030671056	0	57	0.0	-72.09	419.91	2.20	-69.89
CN1CC[N@@H+](C)CC(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030671056	1	57	0.0	-72.09	419.91	2.20	-69.89
CC(C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300030671057	0	56	0.0	-71.63	418.01	1.56	-70.07
O=C(CN1CCC(CO)CC1)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671067	0	56	0.0	-81.07	426.73	1.80	-79.27
O=C(C[NH+]1CCC(CO)CC1)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671067	1	56	0.0	-81.07	426.73	1.80	-79.27
C[N@@H+]1CCCC(O)(CC(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030671076	0	56	0.0	-77.99	410.67	2.96	-75.03
C[N@H+]1CCCC(O)(CC(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030671076	1	56	0.0	-77.99	410.67	2.96	-75.03
CC1CN(CC(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030671079	0	49	0.0	-77.98	383.51	3.76	-74.22
CC1C[NH+](CC(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030671079	1	49	0.0	-77.98	383.51	3.76	-74.22
CN(CCO)CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671106	0	49	0.0	-75.06	377.28	-0.10	-75.16
C[N@H+](CCO)CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671106	1	49	0.0	-78.33	381.30	0.02	-78.31
C[N@@H+](CCO)CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671106	1	49	0.0	-78.33	381.30	0.02	-78.31
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1C[N@@H+]2CCN1CCC2	REAL300030671129	0	55	0.0	-80.48	394.98	2.32	-78.16
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1C[N@H+]2CCN1CCC2	REAL300030671129	1	55	0.0	-80.48	394.98	2.32	-78.16
CC[N@@H+]1CCCC(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030671135	0	55	0.0	-77.69	415.51	4.90	-72.79
CC[N@H+]1CCCC(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030671135	1	55	0.0	-77.69	415.51	4.90	-72.79
CC(CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030671137	0	54	0.0	-75.29	406.02	4.44	-70.85
CC[N@H+](C)CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671150	0	48	0.0	-74.41	366.65	3.09	-71.32
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C12CCC[N@@H+]1CCCC2	REAL300030671178	0	56	0.0	-72.88	408.74	5.12	-67.76
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C12CCC[N@H+]1CCCC2	REAL300030671178	1	56	0.0	-72.88	408.74	5.12	-67.76
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C12CCC[N@@H+]1CC=CC2	REAL300030671185	0	54	0.0	-68.76	395.76	4.81	-63.95
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C12CCC[N@H+]1CC=CC2	REAL300030671185	1	54	0.0	-68.76	395.76	4.81	-63.95
CC[N@H+](CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030671206	0	52	0.0	-71.98	395.13	4.42	-67.56
CC[NH+](CC)CCC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671224	0	54	0.0	-79.56	407.03	4.26	-75.30
CC1(C)CN(CC(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030671249	0	52	0.0	-77.47	404.04	4.18	-73.29
CC1(C)C[NH+](CC(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030671249	1	52	0.0	-77.47	404.04	4.18	-73.29
CC1(O)CC[N@H+](CC(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030671277	0	53	0.0	-74.29	405.05	0.85	-73.44
C[NH+](C)CC=CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671284	0	49	0.0	-77.44	386.06	3.70	-73.74
CC(OCC[NH+](C)C)C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671306	0	55	0.0	-74.20	424.55	4.16	-70.04
C[NH+](C)CCOCCC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671315	0	55	0.0	-73.52	425.66	3.24	-70.28
COCCN(C)CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671316	0	52	0.0	-78.28	403.55	2.44	-75.84
COCC[N@H+](C)CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671316	1	52	0.0	-75.22	399.53	2.30	-72.92
COCC[N@@H+](C)CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671316	1	52	0.0	-75.22	399.53	2.30	-72.92
C[NH+](C)C1(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300030671352	0	55	0.0	-84.74	404.61	4.92	-79.82
CC(CCC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030671355	0	54	0.0	-73.71	406.12	4.18	-69.53
CCN1CCC1C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671364	0	49	0.0	-75.10	377.18	3.47	-71.63
CC[N@@H+]1CCC1C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671364	1	49	0.0	-73.35	380.50	3.46	-69.89
CC[N@H+]1CCC1C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671364	1	49	0.0	-73.35	380.50	3.46	-69.89
CC(C)[N@@H+]1CCCC(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030671374	0	58	0.0	-76.28	431.88	5.47	-70.81
CC(C)[N@H+]1CCCC(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030671374	1	58	0.0	-76.28	431.88	5.47	-70.81
O=C(C[N@H+]1CCCC1CO)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671387	0	53	0.0	-74.31	397.88	0.58	-73.73
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@@H+]2C1	REAL300030671409	0	56	0.0	-74.44	416.39	5.15	-69.29
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@H+]2C1	REAL300030671409	1	56	0.0	-74.44	416.39	5.15	-69.29
C[NH+]1CCC(C)(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030671415	0	55	0.0	-73.06	410.64	4.69	-68.37
C=CCC(C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030671445	0	52	0.0	-71.21	392.16	3.91	-67.30
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671458	0	55	0.0	-73.64	414.00	4.27	-69.37
C[NH+](C)CCCCCC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671462	0	57	0.0	-75.04	435.69	5.36	-69.68
CC1C[N@@H+]2CCN1C(C(=O)NCC1CC3CCC1N3C(=O)C1=CC(=O)[N-]O1)C2	REAL300030671497	0	55	0.0	-79.07	401.27	1.57	-77.50
CCCC(C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030671498	0	54	0.0	-73.23	402.98	4.38	-68.85
C[NH+](C)C(C)(C)C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671502	0	51	0.0	-75.12	376.57	3.58	-71.54
C[N@@H+]1CCCCC1C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671544	0	52	0.0	-71.14	391.15	4.06	-67.08
C[N@H+]1CC=C(CC(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030671584	0	53	0.0	-72.38	407.94	4.76	-67.62
C[N@@H+]1CC=C(CC(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030671584	1	53	0.0	-72.38	407.94	4.76	-67.62
O=C(CC1([NH+]2CCCC2)CC1)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671593	0	56	0.0	-75.37	418.77	5.40	-69.97
CN(C)CC1=CC=C(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)O1	REAL300030671642	0	52	0.0	-87.69	417.13	4.33	-83.36
C[NH+](C)CC1=CC=C(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)O1	REAL300030671642	1	52	0.0	-87.69	417.13	4.33	-83.36
O=C(C=CC[NH+]1CCCC1)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671659	0	53	0.0	-76.24	411.14	4.86	-71.38
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1CC[NH+](C2CC2)CC1	REAL300030671683	0	56	0.0	-82.73	422.88	5.47	-77.26
O=C(CC[NH+]1CCCC1)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671706	0	52	0.0	-79.06	401.65	4.36	-74.70
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCN1CC2	REAL300030671744	0	52	0.0	-89.93	389.66	1.10	-88.83
C[N@@H+]1CC2CC1(C(=O)NCC1CC3CCC1N3C(=O)C1=CC(=O)[N-]O1)C2	REAL300030671754	0	50	0.0	-74.95	378.40	3.89	-71.06
O=C(C[N@@H+]1CC2CCC1C2)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671768	0	53	0.0	-73.96	398.03	4.52	-69.44
O=C(C[N@H+]1CC2CCC1C2)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671768	1	53	0.0	-73.96	398.03	4.52	-69.44
O=C(C=C1C[NH+]2CCC1CC2)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671809	0	54	0.0	-71.65	404.97	4.84	-66.81
O=C(CN1CC2C=CC1C2)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671819	0	51	0.0	-72.79	388.17	4.41	-68.38
O=C(C[N@@H+]1CC2C=CC1C2)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671819	1	51	0.0	-71.40	387.31	4.38	-67.02
O=C(C[N@H+]1CC2C=CC1C2)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671819	1	51	0.0	-71.40	387.31	4.38	-67.02
CC[NH+]1CCN(CC(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030671851	0	57	0.0	-75.48	430.46	2.82	-72.66
CC(C[NH+](C)C)C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671871	0	51	0.0	-71.02	386.57	3.82	-67.20
C[N@@H+]1CCCCC1CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671949	0	55	0.0	-67.21	405.04	4.67	-62.54
C[N@H+]1CCCCC1CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671949	1	55	0.0	-76.04	408.36	4.59	-71.45
CC1=C2C=C(C(=O)NCC3CC4CCC3N4C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030671965	1	50	0.0	-84.89	405.78	6.67	-78.22
CC(C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300030671966	1	52	0.0	-74.78	402.41	4.33	-70.45
CC1CC[N@@H+]1CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671969	1	49	0.0	-75.05	379.00	3.46	-71.59
CC1CC[N@H+]1CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671969	1	49	0.0	-73.51	380.18	3.52	-69.99
C[NH+](C)CC(O)CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671974	0	52	0.0	-78.25	401.41	1.48	-76.77
CC1C[N@H+](C)CC(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)O1	REAL300030672002	1	53	0.0	-79.35	400.30	3.47	-75.88
CC1C[N@@H+](C)CC(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)O1	REAL300030672002	1	53	0.0	-77.34	405.07	3.65	-73.69
O=C(CC[NH+]1CCC(O)CC1)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030672011	0	56	0.0	-82.62	427.96	1.67	-80.95
CCC[N@@H+]1CCCCC1C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030672013	0	58	0.0	-74.84	434.50	5.62	-69.22
CCC[N@H+]1CCCCC1C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030672013	1	58	0.0	-72.31	434.51	5.63	-66.68
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030672092	0	52	0.0	-74.16	397.69	4.23	-69.93
CC(CC[NH+](C)C)C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030672100	0	54	0.0	-75.08	408.93	4.30	-70.78
C[N@H+](CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300030672121	0	56	0.0	-71.63	423.95	2.02	-69.61
C[N@@H+](CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300030672121	1	56	0.0	-74.94	424.20	1.85	-73.09
C#CC[N@H+]1CCCCC1C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030672130	1	54	0.0	-72.36	420.25	5.48	-66.88
C#CC[N@@H+]1CCCCC1C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030672130	1	54	0.0	-75.66	411.04	5.28	-70.38
C[NH+]1CCN(CC(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030672133	1	54	0.0	-77.17	412.34	2.14	-75.03
CC[NH+]1CCN(CC(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030672142	0	57	0.0	-75.48	430.46	2.82	-72.66
NC(=[NH2+])SCC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030672168	0	43	0.0	-75.53	357.36	-0.69	-76.22
CC[N@@H+]1CCOCC1CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030672205	0	56	0.0	-77.28	416.44	2.98	-74.30
C[NH+](C)C1CCC(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030672221	0	58	0.0	-76.61	428.03	5.31	-71.30
C[NH+](C)CCC1(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030672222	0	55	0.0	-84.49	425.22	5.28	-79.21
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030672224	0	58	0.0	-67.87	425.50	5.34	-62.53
C[N@@H+]1CC=CCC1CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030672225	0	53	0.0	-69.96	395.00	4.42	-65.54
C[N@H+]1CC=CCC1CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030672225	1	53	0.0	-69.96	395.00	4.42	-65.54
C[C@@H](OCC[NH+](C)C)C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030672248	0	55	0.0	-78.10	429.10	4.36	-73.74
C[NH+]1C2CCC1CC(C(=O)NCC1CC3CCC1N3C(=O)C1=CC(=O)[N-]O1)C2	REAL300030672276	0	56	0.0	-78.86	413.35	4.87	-73.99
CC(C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300030672386	1	53	0.0	-75.64	404.38	4.31	-71.33
CCC1C[NH+](CC(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030672388	1	52	0.0	-78.42	406.06	4.47	-73.95
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1([NH+]2CCCC2)CCC1	REAL300030672390	0	56	0.0	-71.72	414.78	5.41	-66.31
C[N@H+]1CCC[C@H]1C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030672399	1	49	0.0	-73.22	369.12	2.96	-70.26
O=C(CC[N@@H+]1CCC(F)C1)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030672406	1	52	0.0	-79.68	403.38	4.24	-75.44
COC1C[N@@H+](C)C(C)(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030672414	1	56	0.0	-84.81	423.27	3.37	-81.44
O=C(CC[NH+]1CCCCCC1)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030672423	0	58	0.0	-80.38	427.50	5.29	-75.09
O=C(C[NH+]1CCCCC1)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030672425	0	52	0.0	-76.81	395.04	4.50	-72.31
CC1C(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030672435	0	52	0.0	-72.58	389.47	3.72	-68.86
CC1C(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030672435	1	52	0.0	-77.34	385.03	3.54	-73.80
C[N@@H+]1CCCCC1CCC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030672437	0	58	0.0	-73.03	430.19	5.38	-67.65
C[N@H+]1CCCCC1CCC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030672437	1	58	0.0	-76.48	434.73	5.55	-70.93
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1CC[N@@H+]2CCOCC12	REAL300030672467	0	54	0.0	-77.02	407.73	2.70	-74.32
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1CC[N@H+]2CCOCC12	REAL300030672467	1	54	0.0	-76.93	408.07	2.77	-74.16
CC1=[NH+]C=C2C=CC(C(=O)NCC3CC4CCC3N4C(=O)C3=CC(=O)[N-]O3)=CN21	REAL300030672472	0	50	0.0	-77.05	405.02	5.88	-71.17
CN1CCOCC1CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030672489	0	53	0.0	-70.10	396.50	2.29	-67.81
C[N@@H+]1CCOCC1CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030672489	1	53	0.0	-71.46	391.95	2.11	-69.35
C[N@H+]1CCOCC1CC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030672489	1	53	0.0	-70.10	396.50	2.29	-67.81
CC1=C(C)[NH+]=C(CCC(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)N1	REAL300030672497	1	53	0.0	-69.44	419.16	3.71	-65.73
C[N@@H+]1CCCC1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030672669	0	49	0.0	-64.84	374.55	3.22	-61.62
C[N@H+]1CCCC1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030672669	1	49	0.0	-64.37	373.74	3.27	-61.10
CC1=[NH+]C=CN1CCCC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030672857	1	53	0.0	-67.07	428.03	5.67	-61.40
C[NH+](C)CC1=CC=C(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C=C1	REAL300030672862	0	55	0.0	-79.37	427.44	5.65	-73.72
O=C(CC[NH+]1CCOCC1)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030672863	1	53	0.0	-75.35	407.93	2.58	-72.77
O=C(NCC1CC2CCC1N2C(=O)C12CCC[NH+]1CCC2)C1=CC(=O)[N-]O1	REAL300030672888	0	53	0.0	-72.05	386.07	4.02	-68.03
O=C(NCC1CC2CCC1N2C(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC(=O)[N-]O1	REAL300030672898	1	47	0.0	-75.04	387.39	5.96	-69.08
C[NH+](C)C1CCCC(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030672958	0	58	0.0	-64.89	424.88	5.15	-59.74
C[N@@H+]1CCC(CC(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030672961	0	52	0.0	-72.41	403.92	4.34	-68.07
C[N@H+]1CCC(CC(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030672961	1	52	0.0	-71.81	403.20	4.38	-67.43
CN(C)C1=CC=[NH+]C=C1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030672973	0	51	0.0	-77.85	406.62	2.65	-75.20
CCC(C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030672978	0	51	0.0	-67.02	379.52	3.43	-63.59
C[NH+](C)CCCCC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030673045	0	54	0.0	-73.83	418.02	4.70	-69.13
CC(C)C(C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030673067	0	54	0.0	-69.03	395.03	4.17	-64.86
CCC[N@H+](C)CCC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030673069	0	54	0.0	-73.54	414.03	4.53	-69.01
CCC[N@@H+](C)CCC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030673069	1	54	0.0	-71.26	418.45	4.71	-66.55
CCC[N@H+](C)CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030673075	0	51	0.0	-70.57	391.73	3.98	-66.59
CCC[N@@H+](C)CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030673075	1	51	0.0	-67.75	396.22	4.18	-63.57
O=C(NCC1CC2CCC1N2C(=O)C12CC[N@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300030673099	0	53	0.0	-72.70	386.27	3.42	-69.28
O=C(NCC1CC2CCC1N2C(=O)C12CC[N@@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300030673099	1	53	0.0	-71.79	391.10	3.70	-68.09
CCCCCC[N@H+](C)CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030673135	0	60	0.0	-71.86	456.23	6.32	-65.54
CCCCCC[N@@H+](C)CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030673135	1	60	0.0	-68.94	460.72	6.52	-62.42
CC[NH+](CC)C(C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)C(C)C	REAL300030673140	0	60	0.0	-64.12	430.17	5.26	-58.86
CC1CC[NH+](CC(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030673173	0	55	0.0	-67.78	419.64	5.24	-62.54
C[NH+]1CCC(OCC(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030673201	0	56	0.0	-76.99	437.01	4.91	-72.08
O=C(NCC1CC2CCC1N2C(=O)C1CC2CCCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300030673246	0	56	0.0	-67.06	421.38	5.35	-61.71
O=C(NCC1CC2CCC1N2C(=O)C1CC2CCCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300030673246	1	56	0.0	-65.57	421.18	5.36	-60.21
C[NH+](C)CC1(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030673257	0	52	0.0	-64.78	405.03	4.41	-60.37
CC1=[NH+]C=C2CCC(C(=O)N3C4CCC3C(CNC(=O)C3=CC(=O)[N-]O3)C4)CN21	REAL300030673258	1	54	0.0	-65.80	417.04	5.03	-60.77
CC(C)[NH+]1CCC(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030673269	0	58	0.0	-73.03	427.67	5.12	-67.91
CC[N@H+](C)CCC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030673294	0	51	0.0	-70.47	396.94	4.00	-66.47
CC[N@@H+](C)CCC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030673294	1	51	0.0	-72.79	392.54	3.78	-69.01
CC(C)(C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCC1	REAL300030673320	0	58	0.0	-68.47	417.19	5.19	-63.28
O=C(NCC1CC2CCC1N2C(=O)C1C[NH+]2CCC1CC2)C1=CC(=O)[N-]O1	REAL300030673330	0	53	0.0	-71.47	395.20	4.33	-67.14
C[NH+]1CCC(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030673410	0	52	0.0	-76.17	397.00	4.17	-72.00
CC(C)[C@H](C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030673428	0	54	0.0	-64.04	396.91	4.22	-59.82
CC[NH+](CC)CC(F)C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030673523	0	54	0.0	-67.31	416.87	4.59	-62.72
CC(C)C[N@@H+]1CCC(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030673558	0	58	0.0	-69.34	438.03	5.66	-63.68
CC(C)C[N@H+]1CCC(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030673558	1	58	0.0	-69.88	437.72	5.54	-64.34
C[NH+](C)C1(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)CCC1	REAL300030673562	0	52	0.0	-66.01	379.99	3.51	-62.50
CCC(C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](CC)CC	REAL300030673593	0	57	0.0	-64.19	418.00	4.81	-59.38
CC1CCC[N@@H+]1CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030673613	0	52	0.0	-67.02	391.04	3.96	-63.06
CC1CCC[N@H+]1CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030673613	1	52	0.0	-65.22	402.33	4.51	-60.71
CC(C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCCC1	REAL300030673683	0	58	0.0	-64.97	426.33	5.57	-59.40
CC(C)[N@@H+]1CCCCC1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030673685	0	58	0.0	-64.22	424.03	5.06	-59.16
CC(C)[N@H+]1CCCCC1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030673685	1	58	0.0	-64.58	415.59	4.81	-59.77
CC(C)[N@@H+]1CCCC1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030673706	0	55	0.0	-65.72	409.11	4.51	-61.21
CC(C)[N@H+]1CCCC1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030673706	1	55	0.0	-64.19	412.92	4.72	-59.47
CC(C)[N@@H+]1CCCC1CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030673712	0	58	0.0	-66.43	428.94	5.18	-61.25
CC(C)[N@H+]1CCCC1CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030673712	1	58	0.0	-67.78	426.05	5.02	-62.76
CC(C)[C@@H](C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030673727	0	54	0.0	-69.07	395.15	4.23	-64.84
CC1CC[N@H+](CC(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030673748	0	52	0.0	-66.14	402.02	4.49	-61.65
CC1CC[N@@H+](CC(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030673748	1	52	0.0	-69.46	398.02	4.27	-65.19
CC1=[NH+]C=C2CC(C(=O)N3C4CCC3C(CNC(=O)C3=CC(=O)[N-]O3)C4)CCN21	REAL300030673750	1	54	0.0	-69.72	416.62	5.09	-64.63
CC1(C)CC[N@H+](CC(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030673753	0	55	0.0	-66.97	422.52	4.99	-61.98
CC1(C)CC[N@@H+](CC(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030673753	1	55	0.0	-69.64	417.59	4.92	-64.72
C[N@H+](CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300030673754	0	57	0.0	-69.99	422.77	5.18	-64.81
C[N@@H+](CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300030673754	1	57	0.0	-70.20	422.41	5.16	-65.04
CC[C@@H](C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030673763	0	51	0.0	-63.41	386.53	3.67	-59.74
CN(CCC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)C1=CC=[NH+]C=C1	REAL300030673890	0	54	0.0	-67.89	427.13	4.21	-63.68
CC1=[NH+]C=CN1CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030673974	1	47	0.0	-67.10	382.04	4.21	-62.89
CC(C[NH+]1CCOCC1)C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030673976	1	56	0.0	-71.23	424.16	3.19	-68.04
O=C(CCC[NH+]1CCCCC1)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030673993	0	58	0.0	-72.15	438.16	5.80	-66.35
C[NH+](C)CC1=CC(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)=NO1	REAL300030674011	1	51	0.0	-77.00	412.55	3.96	-73.04
CC1=C(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C=CC2=C[NH+]=CN21	REAL300030674012	0	50	0.0	-75.20	407.73	6.56	-68.64
CC(C)C1=[NH+]C=CN1CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030674047	1	53	0.0	-65.75	418.26	5.30	-60.45
O=C(NCC1CC2CCC1N2C(=O)C1CCCC2CCC[N@@H+]21)C1=CC(=O)[N-]O1	REAL300030674083	0	56	0.0	-60.70	416.77	5.34	-55.36
O=C(NCC1CC2CCC1N2C(=O)C1CCCC2CCC[N@H+]21)C1=CC(=O)[N-]O1	REAL300030674083	1	56	0.0	-63.02	412.31	5.21	-57.81
CC[N@@H+]1CCOC(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030674105	1	53	0.0	-74.07	396.49	3.32	-70.75
CC[N@H+]1CCOC(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030674105	1	53	0.0	-80.06	403.39	3.49	-76.57
O=C(NCC1CC2CCC1N2C(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC(=O)[N-]O1	REAL300030674158	0	47	0.0	-71.43	383.92	5.84	-65.59
CC1=C[NH+]=CN1CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030674163	1	47	0.0	-70.13	382.39	4.94	-65.19
C[C@@H]1[C@H](C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030674179	0	52	0.0	-72.79	392.85	3.96	-68.83
C[C@@H]1[C@H](C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030674179	1	52	0.0	-74.16	398.68	3.93	-70.23
CC[C@@H]1[C@@H](C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030674184	0	55	0.0	-72.75	409.84	4.26	-68.49
CC[C@@H]1[C@@H](C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030674184	1	55	0.0	-68.51	415.67	4.72	-63.79
CC1CCC(C)[NH+]1CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030674197	0	55	0.0	-64.01	412.99	4.59	-59.42
O=C(CCC[NH+]1CCCC1)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030674203	0	55	0.0	-70.29	426.69	5.30	-64.99
C[NH+](C)CC1=CC=CC(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030674204	0	55	0.0	-75.02	426.34	5.61	-69.41
C#CC[NH+]1CCC(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030674210	0	54	0.0	-75.06	422.38	5.36	-69.70
O=C(CC[NH+]1CCCCC1)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030674211	0	55	0.0	-69.91	420.40	5.16	-64.75
C[NH+](C)CC1=CC=CC=C1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030674215	0	55	0.0	-65.69	427.56	5.87	-59.82
CC[N@@H+]1CCCCC1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030674219	0	55	0.0	-65.52	410.76	4.74	-60.78
CC[N@H+]1CCCCC1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030674219	1	55	0.0	-65.65	401.84	4.45	-61.20
C[NH+](C)C(C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300030674222	1	55	0.0	-68.29	426.88	6.04	-62.25
O=C(CN1C=[NH+]C2=C1CCCC2)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030674227	1	54	0.0	-68.39	428.46	6.85	-61.54
C[NH+](C)C1(CC(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300030674263	0	58	0.0	-72.08	420.82	5.18	-66.90
C[N@H+](CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300030674428	0	52	0.0	-68.17	398.72	4.54	-63.63
C[N@@H+](CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300030674428	1	52	0.0	-66.13	403.11	4.74	-61.39
CC(C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1C(C)CCC1C	REAL300030674453	0	58	0.0	-61.39	423.19	4.73	-56.66
O=C(CCCC[NH+]1CCCC1)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030674466	0	58	0.0	-72.38	443.99	5.88	-66.50
C[N@H+](CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300030674468	1	55	0.0	-71.51	433.53	6.38	-65.13
C[N@@H+](CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300030674468	1	55	0.0	-74.89	429.28	6.21	-68.68
C[NH+]1CCC(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030674479	0	52	0.0	-76.17	397.00	4.17	-72.00
C[N@@H+]1CCC[C@@H]1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030674524	0	49	0.0	-69.23	375.22	3.25	-65.98
C[N@H+]1CCC[C@@H]1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030674524	1	49	0.0	-64.78	378.26	3.55	-61.23
C#CC[N@H+]1CCC[C@H]1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030674548	1	51	0.0	-63.45	400.34	4.49	-58.96
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030674548	1	51	0.0	-68.36	401.14	4.68	-63.68
C[N@@H+]1CCCC1CCC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030674554	0	55	0.0	-74.55	419.19	5.14	-69.41
C[N@H+]1CCCC1CCC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030674554	1	55	0.0	-68.06	418.79	4.89	-63.17
O=C(NCC1CC2CCC1N2C(=O)C12CCC[NH+](CCC1)C2)C1=CC(=O)[N-]O1	REAL300030674565	0	56	0.0	-70.11	405.39	4.43	-65.68
O=C(NCC1CC2CCC1N2C(=O)C1CCC2CCCC[N@@H+]21)C1=CC(=O)[N-]O1	REAL300030674572	0	56	0.0	-66.53	411.12	5.05	-61.48
O=C(NCC1CC2CCC1N2C(=O)C1CCC2CCCC[N@H+]21)C1=CC(=O)[N-]O1	REAL300030674572	1	56	0.0	-65.18	417.95	5.37	-59.81
CCC[N@@H+]1CCCC(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030674645	0	58	0.0	-61.14	429.16	5.65	-55.49
CCC[N@H+]1CCCC(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030674645	1	58	0.0	-68.19	435.86	5.58	-62.61
CC(C)[N@@H+]1CCOC(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030674662	1	56	0.0	-73.37	415.98	3.96	-69.41
CC(C)[N@H+]1CCOC(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030674662	1	56	0.0	-70.40	411.57	3.75	-66.65
C[N@@H+]1CCCCC1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030674693	0	52	0.0	-64.10	385.60	3.89	-60.21
C[N@H+]1CCCCC1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030674693	1	52	0.0	-67.34	384.42	3.80	-63.54
CC(C)C[N@@H+]1CCCC1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030674717	0	58	0.0	-65.32	437.43	5.68	-59.64
CC(C)C[N@H+]1CCCC1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030674717	1	58	0.0	-65.36	438.45	5.89	-59.47
O=C(C[NH+]1CCC(CO)CC1)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030674732	0	56	0.0	-69.02	430.85	1.94	-67.08
CC1C(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030674778	0	52	0.0	-70.52	388.21	3.66	-66.86
CC1C(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030674778	1	52	0.0	-67.85	392.88	4.08	-63.77
C[N@@H+]1CCCCC1CCC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030674780	0	58	0.0	-71.19	431.08	5.52	-65.67
C[N@H+]1CCCCC1CCC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030674780	1	58	0.0	-74.79	430.93	5.47	-69.32
NC1=[NH+]C2=C(C=C1C(=O)N1C3CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C3)CCC2	REAL300030674812	1	52	0.0	-61.33	409.65	3.51	-57.82
CC(C)(C)[N@@H+]1CCC1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030674876	0	55	0.0	-64.89	418.58	4.46	-60.43
CC(C)(C)[N@H+]1CCC1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030674876	1	55	0.0	-64.31	395.30	3.66	-60.65
C[C@@H](C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030674895	0	48	0.0	-67.84	373.73	3.08	-64.76
C[NH+](C)CC1=CC(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)=CC=N1	REAL300030674909	1	54	0.0	-71.93	422.90	3.78	-68.15
C=CCC(C)(C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030674913	0	55	0.0	-68.45	401.69	4.26	-64.19
O=C(CC[NH+]1CCCC1)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030674938	0	52	0.0	-72.29	400.77	4.31	-67.98
C[N@H+](CCO)CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030674948	1	49	0.0	-69.25	385.07	0.20	-69.05
C[N@@H+](CCO)CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030674948	1	49	0.0	-70.82	380.58	0.00	-70.82
O=C(NCC1CC2CCC1N2C(=O)C1C[N@@H+]2CCN1CCC2)C1=CC(=O)[N-]O1	REAL300030674986	0	55	0.0	-79.76	395.37	2.02	-77.74
O=C(NCC1CC2CCC1N2C(=O)C1C[N@H+]2CCN1CCC2)C1=CC(=O)[N-]O1	REAL300030674986	1	55	0.0	-70.73	403.82	2.07	-68.66
CC(C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCSCC1	REAL300030675008	1	53	0.0	-70.83	410.36	4.48	-66.35
C[N@H+]1CC=C(CC(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030675048	0	53	0.0	-70.35	411.47	4.93	-65.42
C[N@@H+]1CC=C(CC(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030675048	1	53	0.0	-66.77	415.81	5.15	-61.62
C[S+](C)CCC(O)C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030675063	0	51	0.0	-72.74	417.92	2.20	-70.54
C[N@@H+]1CC(O)CC1(C)C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030675082	0	53	0.0	-78.13	392.62	0.23	-77.90
C[N@H+]1CC(O)CC1(C)C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030675082	1	53	0.0	-67.79	391.76	0.00	-67.79
CN1CC[N@H+](C)CC(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030675095	0	57	0.0	-66.01	424.21	2.68	-63.33
CN1CC[N@@H+](C)CC(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030675095	1	57	0.0	-66.80	422.21	2.58	-64.22
CC(C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)[N@@H+]1CCCC(O)C1	REAL300030675096	0	56	0.0	-67.41	424.52	1.81	-65.60
CC(C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)[N@H+]1CCCC(O)C1	REAL300030675096	1	56	0.0	-65.60	426.02	1.67	-63.93
NC1=[NH+]C=C2CCCC2=C1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030675123	0	52	0.0	-64.51	416.64	3.58	-60.93
C[N@@H+]1CCCC(O)(CC(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030675129	0	56	0.0	-68.91	424.19	3.26	-65.65
C[N@H+]1CCCC(O)(CC(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030675129	1	56	0.0	-66.67	422.94	2.92	-63.75
CC1C[NH+](CC(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030675134	1	49	0.0	-67.95	388.14	3.86	-64.09
CC[N@@H+]1CCCC(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030675141	0	55	0.0	-67.82	414.62	4.79	-63.03
CC[N@H+]1CCCC(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030675141	1	55	0.0	-60.48	407.50	4.97	-55.51
NC1=[NH+]C=CC=C1CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030675147	0	48	0.0	-66.83	386.87	2.43	-64.40
O=C(NCC1CC2CCC1N2C(=O)C1CCC[N@@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300030675160	0	53	0.0	-63.60	411.16	5.19	-58.41
O=C(NCC1CC2CCC1N2C(=O)C1CCC[N@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300030675160	1	53	0.0	-63.64	406.98	4.97	-58.67
O=C(C=CC[NH+]1CCCC1)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030675203	0	53	0.0	-73.67	417.67	5.15	-68.52
O=C(NCC1CC2CCC1N2C(=O)C1CC[NH+](C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300030675226	0	56	0.0	-73.36	422.11	5.40	-67.96
CC[N@H+](C)CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030675273	0	48	0.0	-67.44	374.72	3.43	-64.01
O=C(CN1CC2C=CC1C2)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030675333	0	51	0.0	-66.40	390.51	4.51	-61.89
O=C(C[N@@H+]1CC2C=CC1C2)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030675333	1	51	0.0	-66.87	391.64	4.46	-62.41
O=C(C[N@H+]1CC2C=CC1C2)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030675333	1	51	0.0	-66.87	391.64	4.46	-62.41
CC1=CC=C(NCCC(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)N=C1	REAL300030675355	0	54	0.0	-66.14	435.92	4.17	-61.97
CC1=CC=C(NCCC(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)[NH+]=C1	REAL300030675355	1	54	0.0	-66.14	435.92	4.17	-61.97
O=C(NCC1CC2CCC1N2C(=O)C12CCC[N@@H+]1CCCC2)C1=CC(=O)[N-]O1	REAL300030675461	0	56	0.0	-62.54	402.51	4.55	-57.99
O=C(NCC1CC2CCC1N2C(=O)C12CCC[N@H+]1CCCC2)C1=CC(=O)[N-]O1	REAL300030675461	1	56	0.0	-62.54	402.51	4.55	-57.99
O=C(NCC1CC2CCC1N2C(=O)C12CCC[N@@H+]1CC=CC2)C1=CC(=O)[N-]O1	REAL300030675470	0	54	0.0	-64.65	396.92	4.37	-60.28
O=C(NCC1CC2CCC1N2C(=O)C12CCC[N@H+]1CC=CC2)C1=CC(=O)[N-]O1	REAL300030675470	1	54	0.0	-64.65	396.92	4.37	-60.28
CC(OCC[NH+](C)C)C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030675481	0	55	0.0	-70.55	428.46	4.33	-66.22
C[NH+](C)CCOCCC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030675491	0	55	0.0	-71.12	429.49	3.36	-67.76
COCCN(C)CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030675493	0	52	0.0	-70.58	402.83	2.41	-68.17
COCC[N@H+](C)CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030675493	1	52	0.0	-69.42	407.33	2.61	-66.81
COCC[N@@H+](C)CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030675493	1	52	0.0	-69.42	407.33	2.61	-66.81
CC(CCC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030675499	0	54	0.0	-71.11	410.02	4.31	-66.80
CC[N@H+](CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030675526	0	52	0.0	-68.61	393.78	4.47	-64.14
CC1C[N@@H+]2CCN1C(C(=O)N1C3CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030675542	0	55	0.0	-68.83	388.89	2.30	-66.53
C[N@@H+]1CC2CC1(C(=O)N1C3CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030675567	0	50	0.0	-72.47	384.90	3.90	-68.57
CC1=NC(N)=CC=C1C=CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030675577	0	52	0.0	-70.40	420.58	3.39	-67.01
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030675577	1	52	0.0	-70.40	420.58	3.39	-67.01
O=C(C[N@@H+]1CC2CCC1C2)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030675584	0	53	0.0	-65.72	403.43	4.92	-60.80
O=C(C[N@H+]1CC2CCC1C2)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030675584	1	53	0.0	-65.72	403.43	4.92	-60.80
CC(C[NH+](C)C)C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030675606	0	51	0.0	-61.00	390.61	3.86	-57.14
CC[N@@H+]1CCC1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030675658	0	49	0.0	-67.99	374.43	3.23	-64.76
CC(C)[N@@H+]1CCCC(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030675671	0	58	0.0	-68.72	426.25	5.16	-63.56
CC(C)[N@H+]1CCCC(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030675671	1	58	0.0	-68.72	426.25	5.16	-63.56
CCC(C)(C)[NH2+]C(C)C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030675686	0	57	0.0	-67.28	421.61	3.33	-63.95
C#CCN1CCCCC1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030675730	0	54	0.0	-62.61	422.38	5.54	-57.07
C#CC[N@H+]1CCCCC1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030675730	1	54	0.0	-66.43	409.55	4.98	-61.45
C#CC[N@@H+]1CCCCC1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030675730	1	54	0.0	-66.43	409.55	4.98	-61.45
CNC1=NC(C)=CC=C1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030675731	0	51	0.0	-62.58	405.39	3.33	-59.25
CNC1=[NH+]C(C)=CC=C1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030675731	1	51	0.0	-62.58	405.39	3.33	-59.25
CCCC(C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030675741	0	54	0.0	-69.32	406.30	4.46	-64.86
C[NH+](C)C(C)(C)C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030675748	0	51	0.0	-71.74	373.97	3.01	-68.73
CC(CC[NH+](C)C)C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030675767	0	54	0.0	-70.68	412.61	4.36	-66.32
O=C(NCC1CC2CCC1N2C(=O)C12CC(C1)C[N@@H+]2C1CC1)C1=CC(=O)[N-]O1	REAL300030675838	0	54	0.0	-66.20	408.11	4.77	-61.43
C[N@@H+]1CC(C)(C)CC1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030675877	0	55	0.0	-63.20	418.56	4.76	-58.44
C[N@H+]1CC(C)(C)CC1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030675877	1	55	0.0	-68.81	410.06	4.21	-64.60
C[NH+](C)CCCCCC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030675882	0	57	0.0	-73.07	439.52	5.48	-67.59
O=C(CC[NH+]1CCC(O)CC1)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030675886	0	56	0.0	-73.50	431.69	1.82	-71.68
CCC[N@@H+]1CCCCC1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030675890	0	58	0.0	-66.86	420.56	5.05	-61.81
CCC[N@H+]1CCCCC1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030675890	1	58	0.0	-65.64	436.86	5.68	-59.96
C[NH+]1CCN(CC(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030675900	1	54	0.0	-71.11	415.94	2.23	-68.88
CC1C[N@H+](C)CC(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030676002	1	53	0.0	-77.74	404.15	3.81	-73.93
CC1C[N@@H+](C)CC(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030676002	1	53	0.0	-80.01	411.28	3.76	-76.25
CCC1CCC[N@H+](CC(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030676035	0	58	0.0	-67.52	430.54	5.87	-61.65
CCC1CCC[N@@H+](CC(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030676035	1	58	0.0	-67.31	437.52	5.94	-61.37
C[NH+](C)CC1=CC=C(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300030676044	0	53	0.0	-84.27	418.56	4.27	-80.00
O=C(C[NH+]1CC2CC2C1)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030676059	0	50	0.0	-70.42	388.09	4.49	-65.93
O=C(CC1([NH+]2CCCC2)CC1)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030676072	0	56	0.0	-65.94	422.03	5.50	-60.44
C[N@@H+]1CCCCC1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030676111	0	52	0.0	-64.10	385.60	3.89	-60.21
C[N@H+]1CCCCC1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030676111	1	52	0.0	-67.34	384.42	3.80	-63.54
C[N@@H+]1CCC(=CC(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030676234	0	50	0.0	-74.72	389.77	4.10	-70.62
C[N@H+]1CCC(=CC(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030676234	1	50	0.0	-74.72	388.23	4.19	-70.53
O=C(CNC1=CC=[NH+]C=C1)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030676239	0	48	0.0	-71.08	388.38	1.83	-69.25
CC[NH+]1CCN(CC(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030676296	0	57	0.0	-69.60	433.60	2.93	-66.67
O=C(C=C1C[NH+]2CCC1CC2)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030676299	0	54	0.0	-65.37	411.76	5.16	-60.21
C[NH+](C)C1(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300030676337	0	55	0.0	-68.09	394.76	4.05	-64.04
C[N@H+](CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300030676348	0	56	0.0	-65.82	422.81	1.99	-63.83
C[N@@H+](CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300030676348	1	56	0.0	-66.03	427.49	2.02	-64.01
CCC1C[NH+](CC(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030676354	0	52	0.0	-68.86	409.30	4.57	-64.29
O=C(NCC1CC2CCC1N2C(=O)C1([NH+]2CCCC2)CCC1)C1=CC(=O)[N-]O1	REAL300030676358	0	56	0.0	-65.41	407.77	4.89	-60.52
C[N@@H+]1CCC[C@H]1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030676372	0	49	0.0	-65.93	379.08	3.60	-62.33
C[N@H+]1CCC[C@H]1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030676372	1	49	0.0	-69.29	374.96	3.22	-66.07
CCN1CCOCC1CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030676403	0	56	0.0	-73.03	424.77	3.27	-69.76
CC[N@@H+]1CCOCC1CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030676403	1	56	0.0	-69.52	420.61	3.07	-66.45
CC[N@H+]1CCOCC1CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030676403	1	56	0.0	-69.52	420.61	3.07	-66.45
NC1=NC2=CC(C(=O)N3C4CCC3C(CNC(=O)C3=CC(=O)[N-]O3)C4)=CC=C2N1	REAL300030676493	0	49	0.0	-70.62	398.48	3.58	-67.04
NC1=[NH+]C2=CC(C(=O)N3C4CCC3C(CNC(=O)C3=CC(=O)[N-]O3)C4)=CC=C2N1	REAL300030676493	1	49	0.0	-70.62	398.48	3.58	-67.04
C[NH+](C)[C@H]1C[C@H](C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030676531	0	52	0.0	-72.72	406.28	4.53	-68.19
C[NH+](C)C1CCC(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030676546	0	58	0.0	-58.52	423.38	5.12	-53.40
C[NH+](C)CCC1(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030676547	0	55	0.0	-73.46	423.21	5.01	-68.45
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030676549	0	58	0.0	-58.25	422.86	5.16	-53.09
C[N@@H+]1CC=CCC1CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030676550	0	53	0.0	-74.06	402.93	4.71	-69.35
C[N@H+]1CC=CCC1CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030676550	1	53	0.0	-74.06	402.93	4.71	-69.35
CC1=CC(C=CC(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)=CN=C1N	REAL300030676600	0	52	0.0	-74.03	416.13	3.49	-70.54
CC1=CC(C=CC(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)=C[NH+]=C1N	REAL300030676600	1	52	0.0	-74.03	416.13	3.49	-70.54
C[NH+](C)CCOCC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030676613	0	52	0.0	-71.43	408.54	3.66	-67.77
CCCCC[N@H+](C)CCC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030676619	0	60	0.0	-72.19	461.45	6.28	-65.91
CCCCC[N@@H+](C)CCC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030676619	1	60	0.0	-72.19	461.45	6.28	-65.91
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030676631	0	56	0.0	-72.14	432.24	4.92	-67.22
[NH2+]=C1SC=CN1CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030676656	0	45	0.0	-64.96	383.94	2.96	-62.00
C[C@@H](OCC[NH+](C)C)C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030676730	0	55	0.0	-65.35	428.43	4.33	-61.02
O=C(CC[NH+]1CCCCCC1)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030676774	0	58	0.0	-72.26	430.86	5.40	-66.86
O=C(C[NH+]1CCCCC1)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030676778	0	52	0.0	-67.08	398.48	4.65	-62.43
C[N@@H+]1CCCC(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030676780	0	52	0.0	-69.73	397.29	4.08	-65.65
C[N@H+]1CCCC(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030676780	1	52	0.0	-63.50	391.04	4.28	-59.22
O=C(C[NH+]1CCC(CO)CC1)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030676781	0	56	0.0	-69.02	430.85	1.94	-67.08
O=C(C[NH+]1CCCCCC1)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030676784	0	55	0.0	-66.11	407.92	4.82	-61.29
CN1C=C[N+](CC(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030676789	0	47	0.0	-66.71	388.22	6.28	-60.43
C[NH+](C)CC1=CC=C(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030676807	1	52	0.0	-78.56	417.92	4.55	-74.01
C[NH+](C)CC1=CC=C(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C=N1	REAL300030676813	0	54	0.0	-75.28	427.34	4.28	-71.00
O=C(C[NH+]1CCC(O)CC1)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030676827	0	53	0.0	-71.49	409.87	1.27	-70.22
C[N@@H+](CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030676832	1	49	0.0	-65.17	386.26	4.16	-61.01
CC(C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)N1CC[NH+](C)CC1	REAL300030676834	1	57	0.0	-70.30	423.54	2.31	-67.99
O=C(CC[N@@H+]1CCC(F)C1)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030676837	1	52	0.0	-74.25	411.08	4.65	-69.60
COC1C[N@H+](C)C(C)(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030676848	0	56	0.0	-67.71	419.48	2.50	-65.21
COC1C[N@@H+](C)C(C)(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030676848	1	56	0.0	-66.84	419.92	2.52	-64.32
CC(CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300030676868	0	54	0.0	-73.05	409.85	4.58	-68.47
O=C(NCC1CC2CCC1N2C(=O)C1CC[N@@H+]2CCOCC12)C1=CC(=O)[N-]O1	REAL300030676884	0	54	0.0	-65.41	406.74	2.94	-62.47
O=C(NCC1CC2CCC1N2C(=O)C1CC[N@H+]2CCOCC12)C1=CC(=O)[N-]O1	REAL300030676884	1	54	0.0	-75.24	413.22	2.93	-72.31
CC1=[NH+]C=C2C=CC(C(=O)N3C4CCC3C(CNC(=O)C3=CC(=O)[N-]O3)C4)=CN21	REAL300030676889	0	50	0.0	-68.50	399.47	5.38	-63.12
C[N@@H+]1CCOCC1CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030676906	1	53	0.0	-66.65	394.85	2.35	-64.30
C[N@H+]1CCOCC1CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030676906	1	53	0.0	-74.47	407.11	2.65	-71.82
CC[NH+]1CCN(CC(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030676914	0	57	0.0	-69.60	433.60	2.93	-66.67
CC1=CC(N)=[NH+]C=C1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030676969	1	48	0.0	-68.70	385.61	1.96	-66.74
NC1=CC=C(CCC(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C=[NH+]1	REAL300030676972	0	51	0.0	-68.15	415.86	3.28	-64.87
CC1(O)CC[N@H+](CC(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030677013	0	53	0.0	-70.63	408.54	0.96	-69.67
CC1(O)CC[N@@H+](CC(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030677013	1	53	0.0	-66.89	413.07	1.21	-65.68
C[NH+]1CC(CC(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030677048	0	49	0.0	-69.07	388.17	3.58	-65.49
O=C(NCC1CC2CCC1N2C(=O)C1CC[N@@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300030677053	0	56	0.0	-68.66	416.40	5.00	-63.66
O=C(NCC1CC2CCC1N2C(=O)C1CC[N@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300030677053	1	56	0.0	-70.54	422.36	5.41	-65.13
C[NH+](C)CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030677061	0	45	0.0	-71.06	352.66	2.55	-68.51
C[N@H+](CCO)CCC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030677090	0	52	0.0	-71.05	407.30	0.75	-70.30
C[N@@H+](CCO)CCC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030677090	1	52	0.0	-69.47	407.29	0.74	-68.73
C[C@@H](C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030677091	0	48	0.0	-67.84	373.73	3.08	-64.76
C[N@@H+]1CCCCC1CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030677113	0	55	0.0	-72.37	415.98	4.96	-67.41
C[N@H+]1CCCCC1CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030677113	1	55	0.0	-70.71	415.73	5.03	-65.68
CC1=C2C=C(C(=O)N3C4CCC3C(CNC(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300030677135	1	50	0.0	-74.90	406.39	6.42	-68.48
CC(C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CC(C)C1	REAL300030677136	0	52	0.0	-64.57	399.99	4.16	-60.41
CC1CC[N@@H+]1CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030677140	0	49	0.0	-66.35	388.17	3.84	-62.51
CC1CC[N@H+]1CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030677140	1	49	0.0	-65.34	382.29	3.63	-61.71
C[NH+](C)CC=CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030677154	0	49	0.0	-75.21	391.33	3.94	-71.27
CC1(C)C[NH+](CC(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030677167	1	52	0.0	-68.23	407.24	4.33	-63.90
CC1=C(C)[NH+]=C(CCC(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300030677186	1	53	0.0	-64.38	427.29	4.05	-60.33
CC1=C2C=C(C(=O)N3C4CCC3C(CNC(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300030677197	1	50	0.0	-74.90	406.39	6.42	-68.48
C[NH+](C)CCSCC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030677207	0	52	0.0	-76.71	419.56	4.51	-72.20
O=C(C[N@H+]1CCCC1CO)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030677233	0	53	0.0	-66.01	410.62	1.29	-64.72
O=C(C[N@@H+]1CCCC1CO)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030677233	1	53	0.0	-67.41	398.12	1.11	-66.30
CC[NH+](CC)CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030677237	0	51	0.0	-68.61	383.89	3.64	-64.97
C[N@H+](CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300030677248	0	53	0.0	-72.13	416.34	5.02	-67.11
C[N@@H+](CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300030677248	1	53	0.0	-74.49	416.21	5.01	-69.48
O=C(C[NH+]1CCC1)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030677250	1	46	0.0	-68.01	367.31	3.15	-64.86
CC[NH+](CC)CCC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030677301	0	54	0.0	-71.47	410.05	4.48	-66.99
C[NH+](C)CC1=CNC(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030677368	0	53	0.0	-75.84	418.32	4.16	-71.68
CC(C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC(O)CC1	REAL300030677387	0	56	0.0	-66.94	415.93	1.28	-65.66
O=C(NCC1CC2CCC1N2C(=O)C1CC2COCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300030677393	0	54	0.0	-71.64	414.14	2.96	-68.68
O=C(NCC1CC2CCC1N2C(=O)C1CC2COCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300030677393	1	54	0.0	-67.33	412.34	2.98	-64.35
CC(C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300030677408	0	49	0.0	-66.21	380.80	3.55	-62.66
CCC(CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300030677415	0	57	0.0	-67.23	427.89	5.16	-62.07
NC1=CC=C(C=CC(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C=[NH+]1	REAL300030677422	0	49	0.0	-74.63	402.97	2.94	-71.69
C[NH+](C)CC(C)(C)C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030677423	0	54	0.0	-67.37	390.80	3.71	-63.66
C[N@@H+]1CCCC[C@@H]1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030677487	0	52	0.0	-67.32	384.19	3.80	-63.52
C[N@H+]1CCCC[C@@H]1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030677487	1	52	0.0	-62.62	397.36	4.33	-58.29
CC1CN2CC[N@@H+]1CC2C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030677502	0	55	0.0	-76.75	406.00	1.48	-75.27
CC1CN2CC[N@H+]1CC2C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030677502	1	55	0.0	-70.17	406.60	1.42	-68.75
C[NH+](C)CC(O)CC(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030677523	0	52	0.0	-76.38	405.27	1.62	-74.76
C[NH+]1C2CCC1CC(C(=O)N1C3CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030677526	0	56	0.0	-70.24	383.52	3.80	-66.44
C=CCC(C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030677559	0	52	0.0	-69.15	398.40	4.16	-64.99
O=C(NCC1CC2CCC1N2C(=O)C1CC2CCCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300030677569	0	56	0.0	-67.06	421.38	5.35	-61.71
O=C(NCC1CC2CCC1N2C(=O)C1CC2CCCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300030677569	1	56	0.0	-65.57	421.18	5.36	-60.21
C[NH+]1CCC(C)(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030677580	0	55	0.0	-71.98	405.46	4.31	-67.67
C[NH+]1CCC(O)(CC(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030677582	0	56	0.0	-69.41	427.39	3.13	-66.28
CC1=C2C=C(C(=O)NCC3CC4CCC3N4C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030677664	1	50	0.0	-84.89	405.78	6.67	-78.22
C[NH+](C)CCSCC(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030677673	0	52	0.0	-78.45	415.73	4.38	-74.07
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1CC2COCC[N@@H+]2C1	REAL300030677681	0	54	0.0	-78.09	411.79	2.99	-75.10
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1CC2COCC[N@H+]2C1	REAL300030677681	1	54	0.0	-73.34	407.35	2.81	-70.53
CC(NC(=O)C1CCC[N@@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030677844	0	49	0.0	-70.79	378.21	-0.67	-71.46
CC(NC(=O)C1CCC[N@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030677844	1	49	0.0	-64.43	384.20	-0.20	-64.63
CC(NC(=O)C1C[N@H+](C)CCO1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030677868	1	50	0.0	-73.77	386.73	-0.92	-74.69
CC(NC(=O)C1C[N@@H+](C)CCO1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030677868	1	50	0.0	-76.14	395.65	-0.77	-76.91
CC(NC(=O)C(C)[NH+]1CCCCCC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678021	0	58	0.0	-68.52	425.05	1.42	-67.10
CC(C)[N@@H+]1CCCC1C(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678039	0	55	0.0	-68.73	408.35	0.92	-67.81
CC(C)[N@H+]1CCCC1C(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678039	1	55	0.0	-63.31	408.08	0.86	-62.45
CC(NC(=O)C1CC2CCCC[N@@H+]2C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678052	0	56	0.0	-65.24	425.81	1.54	-63.70
CC(NC(=O)C1CC2CCCC[N@H+]2C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678052	1	56	0.0	-66.55	425.65	1.44	-65.11
CC(C)C1=[NH+]C=CN1CC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678069	1	53	0.0	-62.97	423.89	1.52	-61.45
CC1=[NH+]C=CN1CC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678092	1	47	0.0	-64.58	387.67	0.40	-64.18
CC(C[NH+]1CCOCC1)C(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678093	0	56	0.0	-73.42	429.51	-0.52	-73.94
CC(NC(=O)CCC[NH+]1CCCCC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678106	0	58	0.0	-71.86	443.27	1.96	-69.90
CC(NC(=O)C1C[NH+]2CCC1CC2)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678128	0	53	0.0	-76.28	399.63	0.56	-75.72
CC(NC(=O)C1CCCC2CCC[N@@H+]21)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678163	0	56	0.0	-60.74	422.57	1.60	-59.14
CC(NC(=O)C1CCCC2CCC[N@H+]21)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678163	1	56	0.0	-62.11	421.09	1.65	-60.46
CC(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678174	0	52	0.0	-68.46	393.83	-0.01	-68.47
CC(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678174	1	52	0.0	-71.19	400.48	0.24	-70.95
CC[C@@H]1[C@@H](C(=O)NC(C)C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030678177	0	55	0.0	-70.88	413.39	0.48	-70.40
CC[C@@H]1[C@@H](C(=O)NC(C)C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030678177	1	55	0.0	-71.43	420.13	0.73	-70.70
CC[N@@H+]1CCOC(C(=O)NC(C)C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030678185	1	53	0.0	-74.42	413.44	-0.13	-74.55
CC[N@H+]1CCOC(C(=O)NC(C)C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030678185	1	53	0.0	-72.50	406.36	-0.28	-72.78
CC[NH+](CC)CC(F)C(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678216	0	54	0.0	-73.74	413.79	0.40	-73.34
CC(NC(=O)C[NH+]1C(C)CCC1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678264	0	55	0.0	-67.28	415.26	0.65	-66.63
CC(NC(=O)CCC[NH+]1CCCC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678270	0	55	0.0	-71.56	428.07	1.29	-70.27
C#CC[NH+]1CCC(C(=O)NC(C)C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030678274	0	54	0.0	-71.74	427.25	1.54	-70.20
CC(NC(=O)CC[NH+]1CCCCC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678275	0	55	0.0	-72.03	421.78	1.15	-70.88
CC(C)C[N@@H+]1CCC(C(=O)NC(C)C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030678292	0	58	0.0	-67.75	443.13	1.78	-65.97
CC(C)C[N@H+]1CCC(C(=O)NC(C)C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030678292	1	58	0.0	-70.58	442.52	1.74	-68.84
CC(C)[N@@H+]1CCCC1CC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678296	0	58	0.0	-64.24	427.49	1.33	-62.91
CC(C)[N@H+]1CCCC1CC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678296	1	58	0.0	-69.49	427.87	0.98	-68.51
CC(NC(=O)C[N@H+](C)C1CCC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678339	0	52	0.0	-65.36	404.48	0.78	-64.58
CC(NC(=O)C[N@@H+](C)C1CCC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678339	1	52	0.0	-65.48	404.35	0.76	-64.72
CC(NC(=O)C(C)[NH+]1C(C)CCC1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678380	0	58	0.0	-65.88	427.34	1.15	-64.73
CC(NC(=O)CCC1CCC[N@@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678436	0	55	0.0	-70.68	420.25	0.82	-69.86
CC(NC(=O)CCC1CCC[N@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678436	1	55	0.0	-69.69	421.86	1.13	-68.56
CC(NC(=O)C1CCC2CCCC[N@@H+]21)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678445	0	56	0.0	-61.64	426.15	1.71	-59.93
CC(NC(=O)C1CCC2CCCC[N@H+]21)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678445	1	56	0.0	-65.96	425.97	1.69	-64.27
CC(NC(=O)CCCC[NH+]1CCCC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678459	0	58	0.0	-71.82	449.56	2.08	-69.74
CC(NC(=O)C1CC[NH+](C)CC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678470	0	52	0.0	-75.79	401.24	0.45	-75.34
CC(NC(=O)C1=NOC(C[NH+](C)C)=C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678491	1	51	0.0	-78.34	417.35	-0.20	-78.54
CC1=C(C(=O)NC(C)C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300030678492	0	50	0.0	-69.49	400.74	2.66	-66.83
CC(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678607	0	47	0.0	-71.69	388.39	2.28	-69.41
CC1=[NH+]C=CN1CCCC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678615	1	53	0.0	-68.60	429.20	1.66	-66.94
CC(NC(=O)CC[NH+]1CCOCC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678619	1	53	0.0	-76.16	411.93	-1.21	-77.37
CC1=C[NH+]=CN1CC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678640	1	47	0.0	-66.41	388.01	1.13	-65.28
CC(NC(=O)C1CCCC([NH+](C)C)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678687	0	58	0.0	-70.94	437.06	1.62	-69.32
CC(NC(=O)CC1CC[N@H+](C)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678690	0	52	0.0	-69.48	404.14	0.38	-69.10
CC(NC(=O)CC1CC[N@@H+](C)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678690	1	52	0.0	-69.40	404.78	0.30	-69.10
CCC(C(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030678704	0	51	0.0	-69.19	387.38	-0.27	-69.46
CC(NC(=O)CC1([NH+](C)C)CCCC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678715	0	58	0.0	-74.56	420.50	1.22	-73.34
CC(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678742	1	47	0.0	-76.79	387.11	2.32	-74.47
CC(NC(=O)CCCC[NH+](C)C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678781	0	54	0.0	-74.06	422.03	0.92	-73.14
CCC[N@H+](C)CCC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678798	0	54	0.0	-73.34	419.83	0.71	-72.63
CCC[N@@H+](C)CCC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678798	1	54	0.0	-73.26	419.82	0.71	-72.55
CCC[N@H+](C)CC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678802	0	51	0.0	-71.54	397.46	0.19	-71.35
CCC[N@@H+](C)CC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678802	1	51	0.0	-67.26	397.48	0.19	-67.07
CC(NC(=O)C12CC[N@H+](C1)CCC2)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678818	0	53	0.0	-71.92	400.02	0.02	-71.90
CC(NC(=O)C12CC[N@@H+](C1)CCC2)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678818	1	53	0.0	-76.62	398.97	0.07	-76.55
CC(NC(=O)[C@H]1CCC[N@@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678846	0	49	0.0	-64.81	384.04	-0.18	-64.99
CC(NC(=O)[C@H]1CCC[N@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678846	1	49	0.0	-65.28	378.34	-0.66	-65.94
CCCCCC[N@H+](C)CC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678886	0	60	0.0	-72.85	461.96	2.53	-70.32
CCCCCC[N@@H+](C)CC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678886	1	60	0.0	-68.43	461.98	2.53	-65.90
CC[NH+](CC)CC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678896	0	51	0.0	-69.85	394.33	0.13	-69.72
CCC[N@@H+]1CCCC(C(=O)NC(C)C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030678921	0	58	0.0	-71.55	439.79	1.76	-69.79
CCC[N@H+]1CCCC(C(=O)NC(C)C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030678921	1	58	0.0	-67.03	442.05	1.82	-65.21
CC(C)[N@@H+]1CCOC(C(=O)NC(C)C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030678932	1	56	0.0	-72.49	422.99	0.20	-72.29
CC(C)[N@H+]1CCOC(C(=O)NC(C)C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030678932	1	56	0.0	-72.68	421.57	0.28	-72.40
CC(NC(=O)C[NH+]1CCC(C)CC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678959	0	55	0.0	-71.88	420.80	1.24	-70.64
CC(NC(=O)COC1CC[NH+](C)CC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678979	0	56	0.0	-76.55	438.18	0.85	-75.70
CC(NC(=O)C1(C[NH+](C)C)CC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678988	0	52	0.0	-73.96	403.06	0.52	-73.44
CC(C)[NH+]1CCC(C(=O)NC(C)C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030679046	0	58	0.0	-68.71	437.18	1.62	-67.09
CC(NC(=O)C1CC[NH+](C)CC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679060	0	52	0.0	-75.79	401.24	0.45	-75.34
CCC(C(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030679089	0	57	0.0	-65.57	422.80	1.09	-64.48
CC[N@H+](C)CCC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679139	0	51	0.0	-72.67	398.54	0.02	-72.65
CC[N@@H+](C)CCC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679139	1	51	0.0	-72.56	398.33	-0.02	-72.58
CC(NC(=O)C[N@@H+]1CCCC1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679180	0	52	0.0	-64.71	395.14	0.20	-64.51
CC(NC(=O)C[N@H+]1CCCC1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679180	1	52	0.0	-68.57	395.38	0.22	-68.35
CC(NC(=O)C[N@@H+]1CCC(C)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679182	0	52	0.0	-70.68	403.11	0.46	-70.22
CC(NC(=O)C[N@H+]1CCC(C)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679182	1	52	0.0	-70.65	404.06	0.45	-70.20
CC(NC(=O)C[N@@H+]1CCC(C)(C)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679185	0	55	0.0	-66.33	423.12	1.03	-65.30
CC(NC(=O)C[N@H+]1CCC(C)(C)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679185	1	55	0.0	-66.42	423.98	1.06	-65.36
CC(NC(=O)C[N@H+](C)CC(C)(C)C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679186	0	57	0.0	-66.97	427.77	1.29	-65.68
CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679186	1	57	0.0	-66.85	428.38	1.35	-65.50
CC[C@@H](C(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030679193	0	51	0.0	-68.48	388.89	-0.23	-68.71
CC(NC(=O)CC1(O)CC[NH+](C)CC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679323	0	56	0.0	-68.10	425.88	-0.83	-68.93
CC(NC(=O)C[NH+](C)C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679332	0	45	0.0	-71.93	358.23	-1.23	-73.16
CC(NC(=O)C[NH+]1CCC(CO)CC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679335	1	56	0.0	-74.47	431.64	-2.06	-76.53
CC(NC(=O)C[NH+]1CCCCCC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679336	0	55	0.0	-70.90	409.31	0.81	-70.09
CC(NC(=O)C[N+]1=CN(C)C=C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679340	0	47	0.0	-69.10	389.46	2.28	-66.82
CC(NC(=O)C1CCC[N@H+](C)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679346	0	52	0.0	-71.52	402.52	0.34	-71.18
CC(NC(=O)C1CCC[N@@H+](C)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679346	1	52	0.0	-63.53	396.57	0.62	-62.91
CC(NC(=O)C1CCC[N@@H+]1C1CC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679350	0	53	0.0	-70.10	408.58	0.72	-69.38
CC(NC(=O)C1CCC[N@H+]1C1CC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679350	1	53	0.0	-64.97	402.66	0.45	-64.52
CC(NC(=O)C(C)[NH+]1CCC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679370	1	49	0.0	-65.91	388.25	-0.29	-66.20
CCC(CC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030679374	0	57	0.0	-72.76	432.82	1.35	-71.41
CC(NC(=O)C[NH+]1CCC(O)CC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679399	1	53	0.0	-75.91	411.05	-2.71	-78.62
CC(NC(=O)C[N@H+](C)C1CC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679400	0	49	0.0	-64.48	387.52	0.19	-64.29
CC(NC(=O)C[N@@H+](C)C1CC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679400	1	49	0.0	-68.70	387.49	0.16	-68.54
CC(NC(=O)C(C)N1CC[NH+](C)CC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679401	1	57	0.0	-71.02	431.49	-1.39	-72.41
CC(NC(=O)CC1C[NH+](C)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679416	0	49	0.0	-69.06	388.10	-0.39	-69.45
CC(NC(=O)C1CC[N@@H+]1C1CCCC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679420	0	56	0.0	-70.11	424.46	1.29	-68.82
CC(NC(=O)C1CC[N@H+]1C1CCCC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679420	1	56	0.0	-69.64	423.09	1.22	-68.42
CC(NC(=O)C1CC[N@@H+]1C(C)(C)C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679427	0	55	0.0	-63.88	419.50	0.49	-63.39
CC(NC(=O)C1CC[N@H+]1C(C)(C)C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679427	1	55	0.0	-69.62	402.11	0.35	-69.27
CC(NC(=O)[C@H](C)[NH+](C)C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679438	0	48	0.0	-69.64	376.40	-0.84	-70.48
CCC1CCC[N@H+](CC(=O)NC(C)C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030679468	0	58	0.0	-71.46	438.90	1.83	-69.63
CCC1CCC[N@@H+](CC(=O)NC(C)C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030679468	1	58	0.0	-67.09	439.25	1.90	-65.19
CC(NC(=O)C1=CC=C(C[NH+](C)C)N1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679475	0	53	0.0	-79.40	425.10	-0.06	-79.46
CC(NC(=O)CN1C=CSC1=[NH2+])C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679508	0	45	0.0	-63.94	385.31	-1.04	-64.98
CC(NC(=O)CC[N@H+](C)CCO)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679516	0	52	0.0	-72.41	408.68	-3.25	-75.66
CC(NC(=O)CC[N@@H+](C)CCO)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679516	1	52	0.0	-72.04	408.63	-3.25	-75.29
CC(NC(=O)[C@H](C)[NH+](C)C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679517	0	48	0.0	-69.64	376.40	-0.84	-70.48
CC(NC(=O)[C@H]1CCCC[N@@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679521	0	52	0.0	-68.30	400.20	0.37	-67.93
CC(NC(=O)[C@H]1CCCC[N@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679521	1	52	0.0	-65.86	390.90	0.21	-65.65
CC(NC(=O)C1C[N@@H+]2CCN1CC2C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679527	0	55	0.0	-75.05	409.54	-2.33	-77.38
CC(NC(=O)C1C[N@H+]2CCN1CC2C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679527	1	55	0.0	-73.92	410.70	-2.34	-76.26
CC(NC(=O)CC1=CC2=C[NH+]=CN2C=C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679565	0	50	0.0	-68.37	412.65	2.96	-65.41
CC(NC(=O)C[N@H+](C)C1CCSC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679585	0	53	0.0	-72.31	417.58	1.01	-71.30
CC(NC(=O)C[N@@H+](C)C1CCSC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679585	1	53	0.0	-72.71	417.46	1.02	-71.69
CC(NC(=O)C=C1CC[N@H+](C)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679610	0	50	0.0	-74.37	396.11	0.33	-74.04
CC(NC(=O)C=C1CC[N@@H+](C)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679610	1	50	0.0	-74.37	396.11	0.34	-74.03
CC(NC(=O)COCC[NH+](C)C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679637	0	52	0.0	-71.39	412.53	-0.16	-71.55
CCCCC[N@H+](C)CCC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679642	0	60	0.0	-74.28	462.82	2.28	-72.00
CCCCC[N@@H+](C)CCC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679642	1	60	0.0	-74.27	462.82	2.28	-71.99
CC(NC(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679650	0	56	0.0	-71.46	437.02	0.75	-70.71
C=CCC(C)(C(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030679657	0	55	0.0	-66.14	412.03	0.83	-65.31
CC(NC(=O)C(O)CC[S+](C)C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679661	0	51	0.0	-76.19	421.51	-1.55	-77.74
CC(NC(=O)C1CN(C)CC[N@H+](C)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679690	0	57	0.0	-70.20	426.02	-1.08	-71.28
CC(NC(=O)C1CN(C)CC[N@@H+](C)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679690	1	57	0.0	-70.20	426.02	-1.08	-71.28
CC(NC(=O)C(C)N1CCCC(O)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679691	0	56	0.0	-66.41	429.20	-2.30	-68.71
CC(NC(=O)C(C)[N@@H+]1CCCC(O)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679691	1	56	0.0	-68.75	429.00	-2.34	-71.09
CC(NC(=O)C(C)[N@H+]1CCCC(O)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679691	1	56	0.0	-68.75	429.00	-2.34	-71.09
CC(NC(=O)CN1CCC(CO)CC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679700	0	56	0.0	-74.47	431.64	-2.06	-76.53
CC(NC(=O)C[NH+]1CCC(CO)CC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679700	1	56	0.0	-74.47	431.64	-2.06	-76.53
CC(NC(=O)CC1(O)CCC[N@H+](C)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679709	0	56	0.0	-67.75	418.88	-1.09	-68.84
CC(NC(=O)CC1(O)CCC[N@@H+](C)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679709	1	56	0.0	-67.75	418.88	-1.09	-68.84
CC(NC(=O)CN1CC(C)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679712	0	49	0.0	-67.36	388.33	-0.06	-67.42
CC(NC(=O)C[NH+]1CC(C)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679712	1	49	0.0	-67.36	388.33	-0.06	-67.42
CC(NC(=O)CN(C)CCO)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679737	0	49	0.0	-67.54	386.33	-3.80	-71.34
CC(NC(=O)C[N@H+](C)CCO)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679737	1	49	0.0	-71.79	386.10	-3.81	-75.60
CC(NC(=O)C[N@@H+](C)CCO)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679737	1	49	0.0	-71.79	386.10	-3.81	-75.60
CC(NC(=O)C1C[N@@H+]2CCN1CCC2)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679756	0	55	0.0	-79.14	405.00	-1.45	-80.59
CC(NC(=O)C1C[N@H+]2CCN1CCC2)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679756	1	55	0.0	-79.14	405.00	-1.45	-80.59
CC[N@@H+]1CCCC(C(=O)NC(C)C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030679760	0	55	0.0	-62.02	414.32	1.28	-60.74
CC[N@H+]1CCCC(C(=O)NC(C)C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030679760	1	55	0.0	-62.02	414.32	1.28	-60.74
CC(CC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030679762	0	54	0.0	-72.67	415.52	0.76	-71.91
CC[N@H+](C)CC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679771	0	48	0.0	-66.92	375.98	-0.55	-67.47
CC[N@H+](CC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030679808	0	52	0.0	-63.67	403.19	0.54	-63.13
CC[NH+](CC)CCC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679821	0	54	0.0	-71.86	411.83	0.40	-71.46
CC(NC(=O)C[N@@H+]1CCC(C)(O)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679861	1	53	0.0	-71.77	414.76	-2.81	-74.58
CC(NC(=O)C[N@H+]1CCC(C)(O)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679861	1	53	0.0	-70.55	413.84	-2.86	-73.41
CC(NC(=O)C=CC[NH+](C)C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679867	0	49	0.0	-75.91	392.62	0.01	-75.90
CC(OCC[NH+](C)C)C(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679881	0	55	0.0	-69.40	432.32	0.52	-68.88
CC(NC(=O)CCOCC[NH+](C)C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679889	0	55	0.0	-72.16	433.48	-0.42	-72.58
COCC[N@H+](C)CC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679890	1	52	0.0	-71.60	408.35	-1.42	-73.02
COCC[N@@H+](C)CC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679890	1	52	0.0	-67.55	408.59	-1.39	-68.94
CC(CCC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030679917	0	54	0.0	-75.71	410.30	0.51	-75.20
CC[N@@H+]1CCC1C(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679924	1	49	0.0	-65.17	382.25	-0.37	-65.54
CC[N@H+]1CCC1C(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679924	1	49	0.0	-67.25	388.10	-0.17	-67.42
CC(C)[N@@H+]1CCCC(C(=O)NC(C)C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030679933	0	58	0.0	-66.75	435.57	1.59	-65.16
CC(C)[N@H+]1CCCC(C(=O)NC(C)C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030679933	1	58	0.0	-66.81	435.39	1.57	-65.24
CC(NC(=O)C[N@@H+]1CCCC1CO)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679944	0	53	0.0	-70.10	412.30	-2.75	-72.85
CC(NC(=O)C[N@H+]1CCCC1CO)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679944	1	53	0.0	-66.43	407.89	-3.15	-69.58
CC(NC(=O)C1CC2CCCC[N@@H+]2C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679963	0	56	0.0	-65.24	425.81	1.54	-63.70
CC(NC(=O)C1CC2CCCC[N@H+]2C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679963	1	56	0.0	-66.55	425.65	1.44	-65.11
CC(NC(=O)C1=CC(C[NH+](C)C)=CN1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679970	0	53	0.0	-74.76	424.59	0.03	-74.73
CC(NC(=O)C(C)[NH+]1CCC(O)CC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679980	1	56	0.0	-73.14	429.10	-2.34	-75.48
C=CCC(C(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030679987	0	52	0.0	-70.40	403.30	0.46	-69.94
CC(NC(=O)C1CC(C)(C)C[N@@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679993	0	55	0.0	-65.03	417.07	0.41	-64.62
CC(NC(=O)C1CC(C)(C)C[N@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679993	1	55	0.0	-64.60	424.13	0.93	-63.67
CC(NC(=O)CCCCC[NH+](C)C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679996	0	57	0.0	-73.42	443.52	1.70	-71.72
CC(NC(=O)C[NH+]1CC2CC2C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680004	0	50	0.0	-67.07	393.58	0.65	-66.42
CC(NC(=O)C1C[N@@H+]2CCN1C(C)C2)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680028	0	55	0.0	-73.80	411.16	-2.18	-75.98
CC(NC(=O)C1C[N@H+]2CCN1C(C)C2)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680028	1	55	0.0	-69.92	411.28	-2.26	-72.18
CCCC(C(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030680029	0	54	0.0	-70.76	410.77	0.70	-70.06
CC(NC(=O)C1CCCC[N@@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680063	0	52	0.0	-64.90	390.90	0.21	-64.69
CC(NC(=O)C1CCCC[N@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680063	1	52	0.0	-69.26	390.85	0.20	-69.06
CC(NC(=O)CC1=CC[N@H+](C)CC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680093	0	53	0.0	-70.41	417.04	1.04	-69.37
CC(NC(=O)CC1=CC[N@@H+](C)CC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680093	1	53	0.0	-67.56	415.66	1.12	-66.44
CC(NC(=O)CC1([NH+]2CCCC2)CC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680100	0	56	0.0	-64.92	422.23	1.45	-63.47
CC(NC(=O)C1=CC=C(C[NH+](C)C)O1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680137	1	52	0.0	-73.80	421.73	0.49	-73.31
CC(NC(=O)C=CC[NH+]1CCCC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680151	0	53	0.0	-73.55	418.79	1.06	-72.49
CC(NC(=O)C1CC[NH+](C2CC2)CC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680169	0	56	0.0	-68.76	427.66	1.64	-67.12
CC(NC(=O)CC[NH+]1CCCC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680183	0	52	0.0	-71.98	406.56	0.49	-71.49
CC(NC(=O)C1C[NH+]2CCN1CC2)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680212	0	52	0.0	-77.94	392.99	-2.75	-80.69
CC(NC(=O)C[N@@H+]1CC2CCC1C2)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680230	0	53	0.0	-65.22	404.76	0.87	-64.35
CC(NC(=O)C[N@H+]1CC2CCC1C2)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680230	1	53	0.0	-69.84	403.15	0.92	-68.92
CC(NC(=O)C=C1C[NH+]2CCC1CC2)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680264	0	54	0.0	-68.01	414.38	1.15	-66.86
CC[NH+]1CCN(CC(=O)NC(C)C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030680293	0	57	0.0	-67.29	435.00	-1.04	-68.33
CC(C[NH+](C)C)C(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680305	0	51	0.0	-72.95	395.07	0.05	-72.90
CC(NC(=O)CC1CCCC[N@@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680361	0	55	0.0	-65.09	409.93	0.84	-64.25
CC(NC(=O)CC1CCCC[N@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680361	1	55	0.0	-65.12	409.98	0.82	-64.30
CC1=C2C=C(C(=O)NC(C)C3(O)CCN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030680374	1	50	0.0	-73.31	410.58	2.85	-70.46
CC(NC(=O)C(C)[NH+]1CC(C)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680375	1	52	0.0	-64.62	406.99	0.45	-64.17
CC(NC(=O)C[N@@H+]1CCC1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680378	1	49	0.0	-65.23	384.06	-0.40	-65.63
CC(NC(=O)C[N@H+]1CCC1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680378	1	49	0.0	-69.96	382.36	-0.39	-70.35
CC(NC(=O)CC(O)C[NH+](C)C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680380	0	52	0.0	-73.78	409.25	-2.19	-75.97
CC(NC(=O)C1C[N@H+](C)CC(C)O1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680401	1	53	0.0	-80.75	416.88	-0.03	-80.78
CC(NC(=O)C1C[N@@H+](C)CC(C)O1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680401	1	53	0.0	-79.31	410.06	-0.06	-79.37
CC(NC(=O)CC[NH+]1CCC(O)CC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680410	0	56	0.0	-75.80	432.86	-2.19	-77.99
CCC[N@@H+]1CCCCC1C(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680412	0	58	0.0	-67.92	430.03	1.58	-66.34
CCC[N@H+]1CCCCC1C(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680412	1	58	0.0	-63.97	430.08	1.60	-62.37
CC(NC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680470	0	52	0.0	-71.70	407.79	0.50	-71.20
CC(CC[NH+](C)C)C(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680478	0	54	0.0	-72.90	416.70	0.67	-72.23
CC(NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680494	0	56	0.0	-66.35	429.33	-1.99	-68.34
CC(NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680494	1	56	0.0	-63.83	428.82	-1.80	-65.63
CC(NC(=O)CN1CC[NH+](C)CC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680502	1	54	0.0	-68.42	417.26	-1.72	-70.14
CC[NH+]1CCN(CC(=O)NC(C)C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030680511	0	57	0.0	-67.29	435.00	-1.04	-68.33
CC(NC(=O)CSC(N)=[NH2+])C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680531	0	43	0.0	-73.66	364.58	-4.27	-77.93
CC[N@@H+]1CCOCC1CC(=O)NC(C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680560	0	56	0.0	-75.53	424.48	-0.71	-76.24
CC(NC(=O)C1CCC([NH+](C)C)CC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680573	0	58	0.0	-67.58	430.54	1.46	-66.12
CC(NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680575	0	58	0.0	-67.60	430.44	1.45	-66.15
CC(NC(=O)CC1CC=CC[N@@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680576	0	53	0.0	-74.03	409.45	0.82	-73.21
CC(NC(=O)CC1CC=CC[N@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680576	1	53	0.0	-74.03	409.45	0.82	-73.21
CC(NC(=O)[C@@H](C)OCC[NH+](C)C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680596	0	55	0.0	-67.86	433.88	0.52	-67.34
CC(NC(=O)C1CC2CCC(C1)[NH+]2C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680615	0	56	0.0	-63.23	394.66	0.95	-62.28
CC(NC(=O)[C@@H]1CCC[N@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680702	1	49	0.0	-65.81	382.44	-0.17	-65.98
CC(NC(=O)CC[N@H+]1CCC(F)C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680709	1	52	0.0	-76.77	412.33	0.56	-76.21
CC(NC(=O)CC[NH+]1CCCCCC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680724	0	58	0.0	-73.83	432.46	1.43	-72.40
CC(NC(=O)C[NH+]1CCCCC1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680726	0	52	0.0	-71.05	399.95	0.64	-70.41
CC(NC(=O)C1CC[N@H+](C)C1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680734	0	52	0.0	-67.08	404.77	0.19	-66.89
CC(NC(=O)C1CC[N@@H+](C)C1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680734	1	52	0.0	-71.30	398.46	-0.09	-71.39
CC(NC(=O)CCC1CCCC[N@@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680736	0	58	0.0	-70.18	439.61	1.71	-68.47
CC(NC(=O)CCC1CCCC[N@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680736	1	58	0.0	-67.75	439.22	1.67	-66.08
CC(NC(=O)C1CC[N@@H+]2CCOCC12)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680755	0	54	0.0	-69.43	413.19	-0.97	-70.40
CC(NC(=O)C1CC[N@H+]2CCOCC12)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680755	1	54	0.0	-69.54	417.34	-0.90	-70.44
CC1=[NH+]C=C2C=CC(C(=O)NC(C)C3(O)CCN(C(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300030680760	0	50	0.0	-67.94	409.82	2.04	-65.90
CC(NC(=O)CC1COCCN1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680773	0	53	0.0	-76.87	408.81	-1.41	-78.28
CC(NC(=O)CC1COCC[N@@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680773	1	53	0.0	-65.81	401.37	-1.56	-67.37
CC(NC(=O)CC1COCC[N@H+]1C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680773	1	53	0.0	-76.87	408.81	-1.41	-78.28
CC1=C(C)[NH+]=C(CCC(=O)NC(C)C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030680780	1	53	0.0	-66.64	428.47	0.05	-66.59
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CCC[N@@H+]2C)C1	REAL300030680947	0	49	0.0	-70.41	379.77	-0.63	-71.04
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CCC[N@H+]2C)C1	REAL300030680947	1	49	0.0	-73.89	379.58	-0.65	-74.54
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2C[N@H+](C)CCO2)C1	REAL300030680973	1	50	0.0	-67.55	385.77	-0.95	-68.50
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2C[N@@H+](C)CCO2)C1	REAL300030680973	1	50	0.0	-75.74	386.39	-1.03	-76.77
CC1=[NH+]C=CN1CCCC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030681132	1	53	0.0	-69.51	432.32	1.89	-67.62
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC[NH+]2CCOCC2)C1	REAL300030681136	1	53	0.0	-80.30	416.54	-0.99	-81.29
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300030681159	0	53	0.0	-66.88	397.22	0.25	-66.63
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300030681167	1	47	0.0	-82.56	394.63	2.32	-80.24
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CCCC([NH+](C)C)C2)C1	REAL300030681217	0	58	0.0	-77.83	440.10	1.67	-76.16
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC2CC[N@H+](C)C2)C1	REAL300030681220	0	52	0.0	-78.85	406.33	0.55	-78.30
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC2CC[N@@H+](C)C2)C1	REAL300030681220	1	52	0.0	-79.33	406.75	0.53	-78.80
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=C[NH+]=CC=C2N(C)C)C1	REAL300030681231	0	51	0.0	-77.11	411.18	-1.25	-78.36
CCC(C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030681236	0	51	0.0	-74.18	392.05	0.09	-74.09
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CCCC[NH+](C)C)C1	REAL300030681290	0	54	0.0	-79.08	426.64	1.15	-77.93
CC(C)C(C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030681311	0	54	0.0	-74.79	403.92	0.45	-74.34
CCC[N@H+](C)CCC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030681313	0	54	0.0	-74.57	422.64	0.88	-73.69
CCC[N@@H+](C)CCC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030681313	1	54	0.0	-74.58	422.64	0.89	-73.69
CCC[N@H+](C)CC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030681318	0	51	0.0	-75.08	400.50	0.41	-74.67
CCC[N@@H+](C)CC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030681318	1	51	0.0	-72.53	398.53	0.31	-72.22
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300030681339	0	53	0.0	-84.74	392.88	-0.23	-84.97
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300030681339	1	53	0.0	-78.07	392.35	-0.29	-78.36
CCCCCC[N@H+](C)CC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030681364	0	60	0.0	-76.38	464.96	2.70	-73.68
CCCCCC[N@@H+](C)CC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030681364	1	60	0.0	-73.36	465.03	2.71	-70.65
CC[NH+](CC)C(C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300030681368	0	60	0.0	-69.32	437.73	1.59	-67.73
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[NH+]2CCC(C)CC2)C1	REAL300030681398	0	55	0.0	-75.82	423.86	1.46	-74.36
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)COC2CC[NH+](C)CC2)C1	REAL300030681423	0	56	0.0	-77.52	441.31	1.12	-76.40
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300030681462	0	56	0.0	-73.02	422.75	1.40	-71.62
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300030681462	1	56	0.0	-73.62	424.58	1.39	-72.23
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2(C[NH+](C)C)CC2)C1	REAL300030681472	0	52	0.0	-77.74	408.83	0.53	-77.21
CC(C)[NH+]1CCC(C(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030681483	0	58	0.0	-78.54	439.81	1.65	-76.89
CC[N@H+](C)CCC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030681503	0	51	0.0	-73.69	401.18	0.14	-73.55
CC[N@@H+](C)CCC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030681503	1	51	0.0	-73.81	401.14	0.15	-73.66
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1	REAL300030681525	0	58	0.0	-70.32	419.22	1.69	-68.63
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300030681533	0	53	0.0	-83.16	398.20	0.46	-82.70
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CC[NH+](C)CC2)C1	REAL300030681603	0	52	0.0	-80.90	405.49	0.46	-80.44
CC(C)[C@H](C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030681621	0	54	0.0	-75.26	403.63	0.70	-74.56
CC[NH+](CC)CC(F)C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030681705	0	54	0.0	-76.60	423.24	0.93	-75.67
CC(C)C[N@@H+]1CCC(C(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030681734	0	58	0.0	-72.65	443.79	1.81	-70.84
CC(C)C[N@H+]1CCC(C(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030681734	1	58	0.0	-77.29	441.77	1.69	-75.60
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2([NH+](C)C)CCC2)C1	REAL300030681737	0	52	0.0	-80.69	386.57	0.29	-80.40
CCC(C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030681767	0	57	0.0	-72.40	421.68	1.36	-71.04
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@@H+]2CCCC2C)C1	REAL300030681786	0	52	0.0	-73.20	404.72	0.70	-72.50
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@H+]2CCCC2C)C1	REAL300030681786	1	52	0.0	-71.95	398.31	0.30	-71.65
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C(C)[NH+]2CCCCCC2)C1	REAL300030681836	0	58	0.0	-67.90	428.44	1.23	-66.67
CC(C)[N@@H+]1CCCCC1C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030681838	0	58	0.0	-72.01	422.39	1.11	-70.90
CC(C)[N@H+]1CCCCC1C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030681838	1	58	0.0	-69.55	431.17	1.40	-68.15
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030681858	0	55	0.0	-73.00	411.16	1.16	-71.84
CC(C)[N@H+]1CCCC1C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030681858	1	55	0.0	-71.36	414.69	0.86	-70.50
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030681864	0	58	0.0	-64.45	430.21	1.45	-63.00
CC(C)[N@H+]1CCCC1CC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030681864	1	58	0.0	-74.52	440.72	1.64	-72.88
CC(C)[C@@H](C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030681876	0	54	0.0	-73.83	402.38	0.60	-73.23
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@@H+]2CCC(C)C2)C1	REAL300030681895	0	52	0.0	-74.47	407.22	0.64	-73.83
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@H+]2CCC(C)C2)C1	REAL300030681895	1	52	0.0	-73.95	406.64	0.59	-73.36
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1	REAL300030681899	0	55	0.0	-71.39	424.34	1.16	-70.23
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1	REAL300030681899	1	55	0.0	-71.49	426.38	1.14	-70.35
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1	REAL300030681900	0	57	0.0	-71.70	431.08	1.50	-70.20
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1	REAL300030681900	1	57	0.0	-72.22	428.88	1.31	-70.91
CC[C@@H](C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030681908	0	51	0.0	-71.45	386.22	-0.21	-71.66
CC1=[NH+]C=CN1CC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030682084	1	47	0.0	-68.76	387.70	0.47	-68.29
CC(C[NH+]1CCOCC1)C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030682085	0	56	0.0	-78.32	428.90	-0.55	-78.87
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CCC[NH+]2CCCCC2)C1	REAL300030682100	0	58	0.0	-77.09	446.77	2.25	-74.84
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=NOC(C[NH+](C)C)=C2)C1	REAL300030682114	1	51	0.0	-78.81	417.30	0.07	-78.74
CC1=C(C(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300030682115	0	50	0.0	-72.93	412.89	2.56	-70.37
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030682146	1	53	0.0	-67.02	426.95	1.67	-65.35
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300030682177	0	56	0.0	-73.33	417.71	1.40	-71.93
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300030682177	1	56	0.0	-66.97	412.66	0.90	-66.07
CC[N@@H+]1CCOC(C(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030682192	1	53	0.0	-64.26	403.93	-0.40	-64.66
CC[N@H+]1CCOC(C(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030682192	1	53	0.0	-82.60	410.79	-0.14	-82.74
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300030682241	0	47	0.0	-73.69	383.97	1.96	-71.73
CC1=C[NH+]=CN1CC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030682246	1	47	0.0	-71.19	390.84	1.23	-69.96
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	REAL300030682259	0	52	0.0	-77.68	397.52	0.20	-77.48
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	REAL300030682259	1	52	0.0	-77.36	401.39	0.43	-76.93
CC[C@@H]1[C@@H](C(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030682263	0	55	0.0	-77.78	414.25	0.46	-77.32
CC[C@@H]1[C@@H](C(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030682263	1	55	0.0	-70.32	420.51	0.95	-69.37
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[NH+]2C(C)CCC2C)C1	REAL300030682274	0	55	0.0	-67.71	418.05	0.82	-66.89
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CCC[NH+]2CCCC2)C1	REAL300030682280	0	55	0.0	-76.61	429.51	1.44	-75.17
C#CC[NH+]1CCC(C(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030682286	0	54	0.0	-82.24	430.78	1.71	-80.53
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC[NH+]2CCCCC2)C1	REAL300030682287	0	55	0.0	-73.24	425.05	1.35	-71.89
CC[N@@H+]1CCCCC1C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030682293	0	55	0.0	-70.40	419.76	1.11	-69.29
CC[N@H+]1CCCCC1C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030682293	1	55	0.0	-68.02	405.91	0.61	-67.41
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC2([NH+](C)C)CCCC2)C1	REAL300030682330	0	58	0.0	-74.52	425.18	1.42	-73.10
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@H+](C)C2CCC2)C1	REAL300030682461	0	52	0.0	-72.90	407.44	0.96	-71.94
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@@H+](C)C2CCC2)C1	REAL300030682461	1	52	0.0	-72.65	407.33	0.93	-71.72
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C(C)[NH+]2C(C)CCC2C)C1	REAL300030682483	0	58	0.0	-73.35	429.88	1.30	-72.05
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300030682495	0	58	0.0	-77.58	452.60	2.33	-75.25
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CC[NH+](C)CC2)C1	REAL300030682506	0	52	0.0	-80.90	405.49	0.46	-80.44
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1	REAL300030682543	0	49	0.0	-71.91	383.38	-0.21	-72.12
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)[C@H]2CCC[N@H+]2C)C1	REAL300030682543	1	49	0.0	-70.43	379.69	-0.63	-71.06
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030682565	1	51	0.0	-68.47	404.64	0.61	-67.86
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030682565	1	51	0.0	-72.59	409.15	1.02	-71.57
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CCC2CCC[N@@H+]2C)C1	REAL300030682570	0	55	0.0	-75.67	423.24	1.26	-74.41
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CCC2CCC[N@H+]2C)C1	REAL300030682570	1	55	0.0	-74.67	426.90	1.41	-73.26
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300030682579	0	56	0.0	-76.08	407.52	0.57	-75.51
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300030682582	0	56	0.0	-66.87	423.53	1.67	-65.20
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300030682582	1	56	0.0	-68.65	419.21	1.30	-67.35
CCC[N@@H+]1CCCC(C(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030682646	0	58	0.0	-77.18	444.73	1.82	-75.36
CCC[N@H+]1CCCC(C(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030682646	1	58	0.0	-72.72	444.02	1.86	-70.86
CC(C)[N@@H+]1CCOC(C(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030682661	1	56	0.0	-84.95	427.86	0.30	-84.65
CC(C)[N@H+]1CCOC(C(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030682661	1	56	0.0	-65.10	427.73	0.40	-64.70
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300030682683	0	52	0.0	-71.85	400.82	0.45	-71.40
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CCCC[N@H+]2C)C1	REAL300030682683	1	52	0.0	-68.69	401.79	0.44	-68.25
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030682704	0	58	0.0	-68.53	439.55	1.73	-66.80
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030682704	1	58	0.0	-72.33	440.67	1.85	-70.48
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300030682718	0	56	0.0	-76.38	434.69	-1.85	-78.23
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CC[N@H+](C)C2C)C1	REAL300030682759	0	52	0.0	-76.16	401.98	0.25	-75.91
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CC[N@@H+](C)C2C)C1	REAL300030682759	1	52	0.0	-74.94	396.77	-0.12	-75.06
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CCC2CCCC[N@@H+]2C)C1	REAL300030682761	0	58	0.0	-74.89	433.45	1.65	-73.24
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CCC2CCCC[N@H+]2C)C1	REAL300030682761	1	58	0.0	-76.22	433.41	1.66	-74.56
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CC[N@@H+]2C(C)(C)C)C1	REAL300030682843	0	55	0.0	-72.18	401.74	-0.17	-72.35
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CC[N@H+]2C(C)(C)C)C1	REAL300030682843	1	55	0.0	-69.61	399.91	-0.09	-69.70
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300030682861	0	48	0.0	-70.25	377.84	-0.76	-71.01
C=CCC(C)(C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030682875	0	55	0.0	-67.72	405.56	0.46	-67.26
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC[NH+]2CCCC2)C1	REAL300030682896	0	52	0.0	-73.26	409.38	0.65	-72.61
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@H+](C)CCO)C1	REAL300030682906	1	49	0.0	-72.69	389.38	-3.61	-76.30
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@@H+](C)CCO)C1	REAL300030682906	1	49	0.0	-75.88	389.11	-3.57	-79.45
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300030682941	0	55	0.0	-83.19	407.45	-1.87	-85.06
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300030682941	1	55	0.0	-88.33	401.95	-1.66	-89.99
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C(C)[NH+]2CCSCC2)C1	REAL300030682961	1	53	0.0	-71.86	417.84	0.82	-71.04
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC2=CC[N@H+](C)CC2)C1	REAL300030682992	0	53	0.0	-73.45	420.36	1.28	-72.17
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC2=CC[N@@H+](C)CC2)C1	REAL300030682992	1	53	0.0	-69.84	420.21	1.24	-68.60
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C(O)CC[S+](C)C)C1	REAL300030683006	0	51	0.0	-84.78	421.48	-1.56	-86.34
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2(C)CC(O)C[N@@H+]2C)C1	REAL300030683024	0	53	0.0	-75.85	397.38	-3.44	-79.29
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2(C)CC(O)C[N@H+]2C)C1	REAL300030683024	1	53	0.0	-79.97	399.02	-3.41	-83.38
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CN(C)CC[N@H+](C)C2)C1	REAL300030683034	0	57	0.0	-63.39	430.82	-1.21	-64.60
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)C1	REAL300030683034	1	57	0.0	-74.40	433.24	-1.50	-75.90
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C(C)[N@@H+]2CCCC(O)C2)C1	REAL300030683035	0	56	0.0	-74.41	426.90	-2.06	-76.47
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C(C)[N@H+]2CCCC(O)C2)C1	REAL300030683035	1	56	0.0	-72.92	428.02	-2.06	-74.98
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC2(O)CCC[N@H+](C)C2)C1	REAL300030683064	0	56	0.0	-76.57	417.38	-0.78	-77.35
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC2(O)CCC[N@@H+](C)C2)C1	REAL300030683064	1	56	0.0	-71.33	420.58	-0.85	-72.18
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[NH+]2CC(C)C2)C1	REAL300030683068	1	49	0.0	-72.25	392.38	-0.01	-72.26
CC[N@@H+]1CCCC(C(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030683074	0	55	0.0	-66.35	412.14	1.03	-65.32
CC[N@H+]1CCCC(C(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030683074	1	55	0.0	-68.65	411.22	1.10	-67.55
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC2=CC=C[NH+]=C2N)C1	REAL300030683080	0	48	0.0	-68.69	395.32	-1.27	-69.96
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300030683090	0	53	0.0	-66.94	414.22	1.21	-65.73
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300030683090	1	53	0.0	-69.64	411.64	1.18	-68.46
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300030683126	0	53	0.0	-79.56	421.12	1.23	-78.33
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300030683146	0	56	0.0	-73.52	429.37	1.61	-71.91
CC[N@H+](C)CC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030683187	0	48	0.0	-71.68	379.03	-0.38	-72.06
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CN2CC3C=CC2C3)C1	REAL300030683233	0	51	0.0	-71.71	398.58	0.78	-70.93
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300030683233	1	51	0.0	-70.46	400.09	0.81	-69.65
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300030683233	1	51	0.0	-70.46	400.09	0.81	-69.65
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300030683348	0	56	0.0	-69.70	407.85	0.78	-68.92
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C23CCC[N@H+]2CCCC3)C1	REAL300030683348	1	56	0.0	-69.70	407.85	0.78	-68.92
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300030683355	0	54	0.0	-66.15	400.84	0.48	-65.67
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300030683355	1	54	0.0	-66.15	400.84	0.48	-65.67
CC(OCC[NH+](C)C)C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030683364	0	55	0.0	-76.23	432.17	0.55	-75.68
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CCOCC[NH+](C)C)C1	REAL300030683373	0	55	0.0	-76.54	438.02	-0.24	-76.78
COCCN(C)CC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030683375	0	52	0.0	-75.64	411.36	-1.17	-76.81
COCC[N@H+](C)CC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030683375	1	52	0.0	-72.91	411.64	-1.21	-74.12
COCC[N@@H+](C)CC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030683375	1	52	0.0	-72.91	411.64	-1.21	-74.12
CC(CCC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030683380	0	54	0.0	-75.86	418.55	0.69	-75.17
CC[N@H+](CC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030683403	0	52	0.0	-73.77	402.54	0.83	-72.94
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2C[N@@H+]3CCN2C(C)C3)C1	REAL300030683418	0	55	0.0	-79.48	409.77	-2.41	-81.89
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C23CC(C2)C[N@@H+]3C)C1	REAL300030683440	0	50	0.0	-74.21	386.46	0.25	-73.96
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300030683454	0	53	0.0	-71.73	405.64	0.85	-70.88
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300030683454	1	53	0.0	-71.73	405.64	0.85	-70.88
CC(C[NH+](C)C)C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030683473	0	51	0.0	-62.68	399.38	0.08	-62.60
CCN1CCC1C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030683519	0	49	0.0	-75.20	392.88	-0.07	-75.27
CC[N@@H+]1CCC1C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030683519	1	49	0.0	-75.64	390.22	-0.09	-75.73
CC[N@H+]1CCC1C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030683519	1	49	0.0	-75.64	390.22	-0.09	-75.73
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030683531	0	58	0.0	-66.61	429.70	1.78	-64.83
CC(C)[N@H+]1CCCC(C(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030683531	1	58	0.0	-66.61	429.70	1.78	-64.83
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030683544	0	57	0.0	-71.43	426.03	-0.59	-72.02
C#CCN1CCCCC1C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030683583	0	54	0.0	-71.08	418.87	1.36	-69.72
C#CC[N@H+]1CCCCC1C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030683583	1	54	0.0	-68.86	413.32	1.15	-67.71
C#CC[N@@H+]1CCCCC1C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030683583	1	54	0.0	-68.86	413.32	1.15	-67.71
CNC1=NC(C)=CC=C1C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030683584	0	51	0.0	-65.45	410.55	-0.50	-65.95
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030683584	1	51	0.0	-65.45	410.55	-0.50	-65.95
CCCC(C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030683594	0	54	0.0	-74.02	412.37	0.71	-73.31
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C(C)(C)[NH+](C)C)C1	REAL300030683601	0	51	0.0	-79.45	378.65	-0.22	-79.67
CC(CC[NH+](C)C)C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030683619	0	54	0.0	-64.20	421.07	0.70	-63.50
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300030683680	0	54	0.0	-71.11	413.55	2.19	-68.92
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CC(C)(C)C[N@@H+]2C)C1	REAL300030683709	0	55	0.0	-69.79	425.40	0.91	-68.88
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CC(C)(C)C[N@H+]2C)C1	REAL300030683709	1	55	0.0	-69.79	425.40	0.91	-68.88
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CCCCC[NH+](C)C)C1	REAL300030683712	0	57	0.0	-78.01	448.05	1.86	-76.15
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC[NH+]2CCC(O)CC2)C1	REAL300030683716	0	56	0.0	-76.83	435.99	-1.98	-78.81
CCC[N@@H+]1CCCCC1C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030683720	0	58	0.0	-69.99	432.87	1.54	-68.45
CCC[N@H+]1CCCCC1C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030683720	1	58	0.0	-69.99	432.87	1.54	-68.45
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CN2CCN(C)CC2)C1	REAL300030683729	0	54	0.0	-75.28	420.21	-1.58	-76.86
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CN2CC[NH+](C)CC2)C1	REAL300030683729	1	54	0.0	-75.28	420.21	-1.58	-76.86
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CN(C)CC(C)O2)C1	REAL300030683815	0	53	0.0	-83.67	414.35	-0.19	-83.86
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2C[N@H+](C)CC(C)O2)C1	REAL300030683815	1	53	0.0	-82.44	407.73	-0.50	-82.94
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2C[N@@H+](C)CC(C)O2)C1	REAL300030683815	1	53	0.0	-82.44	407.73	-0.50	-82.94
CCC1CCC[N@H+](CC(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030683847	0	58	0.0	-70.85	434.56	1.57	-69.28
CCC1CCC[N@@H+](CC(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030683847	1	58	0.0	-72.02	442.29	2.07	-69.95
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC=C(C[NH+](C)C)N2)C1	REAL300030683855	0	53	0.0	-57.30	421.79	0.24	-57.06
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300030683868	0	50	0.0	-71.91	396.77	0.84	-71.07
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC2([NH+]3CCCC3)CC2)C1	REAL300030683880	0	56	0.0	-72.89	426.31	1.68	-71.21
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300030683915	0	52	0.0	-71.85	400.82	0.45	-71.40
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CCCC[N@H+]2C)C1	REAL300030683915	1	52	0.0	-68.69	401.79	0.44	-68.25
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C=C2CC[N@H+](C)C2)C1	REAL300030684021	0	50	0.0	-76.04	397.52	0.44	-75.60
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C=C2CC[N@@H+](C)C2)C1	REAL300030684021	1	50	0.0	-75.37	399.25	0.41	-74.96
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300030684026	0	48	0.0	-71.40	397.07	-1.78	-73.18
CC[NH+]1CCN(CC(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030684079	0	57	0.0	-74.15	437.95	-0.90	-75.05
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C=C2C[NH+]3CCC2CC3)C1	REAL300030684082	0	54	0.0	-68.75	416.74	1.29	-67.46
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2([NH+](C)C)CCCC2)C1	REAL300030684116	0	55	0.0	-67.56	395.12	0.11	-67.45
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)C1	REAL300030684127	0	56	0.0	-70.18	431.75	-1.74	-71.92
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)C1	REAL300030684127	1	56	0.0	-67.87	431.45	-1.73	-69.60
CCC1C[NH+](CC(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030684131	1	52	0.0	-73.09	413.75	0.76	-72.33
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300030684134	0	56	0.0	-76.00	415.09	1.23	-74.77
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1	REAL300030684146	0	49	0.0	-73.84	379.81	-0.60	-74.44
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1	REAL300030684146	1	49	0.0	-68.75	382.20	-0.38	-69.13
CC[N@@H+]1CCOCC1CC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030684172	0	56	0.0	-73.18	424.75	-0.78	-73.96
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C1	REAL300030684283	0	52	0.0	-73.33	410.57	0.64	-72.69
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CCC([NH+](C)C)CC2)C1	REAL300030684297	0	58	0.0	-70.86	427.69	1.33	-69.53
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2(CC[NH+](C)C)CC2)C1	REAL300030684298	0	55	0.0	-78.77	431.93	1.29	-77.48
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C1	REAL300030684300	0	58	0.0	-71.07	427.60	1.31	-69.76
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC2CC=CC[N@@H+]2C)C1	REAL300030684301	0	53	0.0	-74.88	412.50	1.04	-73.84
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC2CC=CC[N@H+]2C)C1	REAL300030684301	1	53	0.0	-74.88	412.50	1.04	-73.84
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)COCC[NH+](C)C)C1	REAL300030684355	0	52	0.0	-71.67	417.24	0.08	-71.59
CCCCC[N@H+](C)CCC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030684360	0	60	0.0	-75.54	465.64	2.44	-73.10
CCCCC[N@@H+](C)CCC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030684360	1	60	0.0	-75.54	465.64	2.44	-73.10
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)C1	REAL300030684371	0	56	0.0	-72.25	434.91	0.67	-71.58
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CN2C=CSC2=[NH2+])C1	REAL300030684394	0	45	0.0	-68.05	388.14	-0.92	-68.97
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)[C@@H](C)OCC[NH+](C)C)C1	REAL300030684461	0	55	0.0	-73.58	432.11	0.50	-73.08
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC[NH+]2CCCCCC2)C1	REAL300030684496	0	58	0.0	-77.12	433.19	1.78	-75.34
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[NH+]2CCCCC2)C1	REAL300030684499	0	52	0.0	-71.65	402.78	0.76	-70.89
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CCC[N@H+](C)C2)C1	REAL300030684501	0	52	0.0	-59.14	394.66	0.45	-58.69
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CCC[N@@H+](C)C2)C1	REAL300030684501	1	52	0.0	-78.53	405.68	0.48	-78.05
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300030684502	0	56	0.0	-76.38	434.69	-1.85	-78.23
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[NH+]2CCCCCC2)C1	REAL300030684503	0	55	0.0	-74.25	412.23	1.03	-73.22
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N+]2=CN(C)C=C2)C1	REAL300030684508	0	47	0.0	-70.49	390.54	2.40	-68.09
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC=C(C[NH+](C)C)O2)C1	REAL300030684523	1	52	0.0	-86.12	421.65	0.63	-85.49
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300030684539	1	53	0.0	-80.36	414.10	-2.50	-82.86
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@@H+](C)C2CC2)C1	REAL300030684543	1	49	0.0	-68.96	390.62	0.36	-68.60
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C(C)N2CC[NH+](C)CC2)C1	REAL300030684545	1	57	0.0	-70.87	427.19	-1.58	-72.45
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC[N@H+]2CCC(F)C2)C1	REAL300030684547	1	52	0.0	-76.96	415.17	0.69	-76.27
COC1C[N@@H+](C)C(C)(C(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030684556	1	56	0.0	-81.26	419.78	-1.45	-82.71
CC(CC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030684573	0	54	0.0	-73.59	418.37	0.99	-72.60
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300030684585	0	54	0.0	-77.05	416.21	-0.96	-78.01
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CC[N@H+]3CCOCC23)C1	REAL300030684585	1	54	0.0	-81.22	416.09	-0.95	-82.17
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(O)(C(C)NC(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300030684590	0	50	0.0	-76.67	415.97	2.08	-74.59
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC2COCCN2C)C1	REAL300030684603	0	53	0.0	-70.91	404.26	-1.38	-72.29
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC2COCC[N@@H+]2C)C1	REAL300030684603	1	53	0.0	-69.95	404.36	-1.37	-71.32
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC2COCC[N@H+]2C)C1	REAL300030684603	1	53	0.0	-70.91	404.26	-1.38	-72.29
CC[NH+]1CCN(CC(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030684611	0	57	0.0	-74.15	437.95	-0.90	-75.05
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030684663	1	48	0.0	-72.72	390.43	-1.80	-74.52
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CCC2=CC=C(N)[NH+]=C2)C1	REAL300030684666	0	51	0.0	-70.84	420.06	-0.57	-71.41
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@H+]2CCC(C)(O)C2)C1	REAL300030684703	1	53	0.0	-73.29	417.32	-2.67	-75.96
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC2C[NH+](C)C2)C1	REAL300030684735	0	49	0.0	-73.32	392.64	-0.21	-73.53
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300030684739	1	56	0.0	-76.50	431.84	1.70	-74.80
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[NH+](C)C)C1	REAL300030684747	0	45	0.0	-75.51	361.19	-1.08	-76.59
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC[N@H+](C)CCO)C1	REAL300030684775	0	52	0.0	-73.45	411.50	-3.07	-76.52
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC[N@@H+](C)CCO)C1	REAL300030684775	1	52	0.0	-76.64	411.70	-3.01	-79.65
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300030684776	0	48	0.0	-70.25	377.84	-0.76	-71.01
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC2CCCC[N@@H+]2C)C1	REAL300030684794	0	55	0.0	-79.50	420.47	1.14	-78.36
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC2CCCC[N@H+]2C)C1	REAL300030684794	1	55	0.0	-79.45	420.49	1.15	-78.30
CC1=C2C=C(C(=O)N3CCC(O)(C(C)NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030684813	1	50	0.0	-79.96	416.55	2.89	-77.07
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C(C)[NH+]2CC(C)C2)C1	REAL300030684814	0	52	0.0	-70.14	408.91	0.41	-69.73
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CN2CCC2C)C1	REAL300030684818	0	49	0.0	-71.05	392.40	0.00	-71.05
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@@H+]2CCC2C)C1	REAL300030684818	1	49	0.0	-72.94	386.92	-0.28	-73.22
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@H+]2CCC2C)C1	REAL300030684818	1	49	0.0	-71.05	392.40	0.00	-71.05
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C=CC[NH+](C)C)C1	REAL300030684829	0	49	0.0	-76.36	396.32	0.09	-76.27
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[NH+]2CC(C)(C)C2)C1	REAL300030684841	1	52	0.0	-76.25	410.22	0.55	-75.70
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030684856	1	53	0.0	-67.26	431.59	0.27	-66.99
CC1=C2C=C(C(=O)N3CCC(O)(C(C)NC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030684867	1	50	0.0	-79.96	416.55	2.89	-77.07
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CSCC[NH+](C)C)C1	REAL300030684876	0	52	0.0	-76.81	428.26	0.93	-75.88
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@@H+]2CCCC2CO)C1	REAL300030684901	0	53	0.0	-68.35	405.15	-2.56	-70.91
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@H+]2CCCC2CO)C1	REAL300030684901	1	53	0.0	-75.16	413.48	-2.64	-77.80
CC[NH+](CC)CC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030684905	0	51	0.0	-73.51	397.26	0.28	-73.23
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@H+](C)C2CCSC2)C1	REAL300030684915	0	53	0.0	-78.09	420.42	1.13	-76.96
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N@@H+](C)C2CCSC2)C1	REAL300030684915	1	53	0.0	-77.43	420.64	1.20	-76.23
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[NH+]2CCC2)C1	REAL300030684917	1	46	0.0	-72.26	371.62	-0.56	-72.82
CC[NH+](CC)CCC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030684961	0	54	0.0	-76.78	419.14	0.87	-75.91
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC(C[NH+](C)C)=CN2)C1	REAL300030685021	0	53	0.0	-83.07	421.47	0.40	-82.67
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C(C)[NH+]2CCC(O)CC2)C1	REAL300030685038	0	56	0.0	-74.89	420.54	-2.57	-77.46
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300030685043	0	54	0.0	-71.99	415.40	-0.91	-72.90
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CC3COCC[N@H+]3C2)C1	REAL300030685043	1	54	0.0	-78.47	415.21	-0.97	-79.44
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C(C)[NH+]2CCC2)C1	REAL300030685055	1	49	0.0	-77.86	376.57	-0.36	-78.22
CCC(CC(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030685060	0	57	0.0	-83.01	436.11	1.62	-81.39
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C=CC2=CC=C(N)[NH+]=C2)C1	REAL300030685067	0	49	0.0	-81.77	407.89	-0.84	-82.61
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C(C)(C)C[NH+](C)C)C1	REAL300030685068	0	54	0.0	-70.19	397.50	0.12	-70.07
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1	REAL300030685124	0	52	0.0	-71.88	400.83	0.46	-71.42
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1	REAL300030685124	1	52	0.0	-76.64	393.66	0.22	-76.42
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2C[N@@H+]3CCN2CC3C)C1	REAL300030685138	0	55	0.0	-78.27	409.34	-2.44	-80.71
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2C[N@H+]3CCN2CC3C)C1	REAL300030685138	1	55	0.0	-78.23	409.44	-2.42	-80.65
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC(O)C[NH+](C)C)C1	REAL300030685159	0	52	0.0	-76.86	413.83	-1.97	-78.83
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CC3CCC(C2)[NH+]3C)C1	REAL300030685161	0	56	0.0	-69.32	395.34	0.80	-68.52
C=CCC(C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030685192	0	52	0.0	-70.42	401.37	0.24	-70.18
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300030685200	0	56	0.0	-73.02	422.75	1.40	-71.62
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300030685200	1	56	0.0	-73.62	424.58	1.39	-72.23
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2(C)CC[NH+](C)CC2)C1	REAL300030685211	0	55	0.0	-71.51	408.21	0.47	-71.04
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC2(O)CC[NH+](C)CC2)C1	REAL300030685213	0	56	0.0	-77.96	431.71	-0.72	-78.68
CC1=C2C=C(C(=O)NC(C)C3(O)CCN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030685279	1	50	0.0	-73.31	410.58	2.85	-70.46
CC(NC(=O)CSCC[NH+](C)C)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030685287	0	52	0.0	-77.14	423.56	0.71	-76.43
CC(NC(=O)C1CC2COCC[N@@H+]2C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030685293	0	54	0.0	-72.86	417.23	-0.86	-73.72
CC(NC(=O)C1CC2COCC[N@H+]2C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030685293	1	54	0.0	-70.89	416.31	-0.93	-71.82
C[N@@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2	REAL300030685400	0	56	0.0	-59.91	403.98	2.76	-57.15
C[N@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2	REAL300030685400	1	56	0.0	-57.87	403.92	2.77	-55.10
CCC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2)[NH+](C)C	REAL300030685499	0	58	0.0	-56.22	408.11	2.86	-53.36
CCC[N@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2	REAL300030685503	0	58	0.0	-61.10	417.54	3.21	-57.89
CCC[N@@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2	REAL300030685503	1	58	0.0	-53.77	417.31	3.11	-50.66
C[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2	REAL300030685509	0	56	0.0	-54.98	398.07	2.27	-52.71
C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2	REAL300030685509	1	56	0.0	-59.69	402.87	2.76	-56.93
CC[NH+](CC)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2	REAL300030685512	0	58	0.0	-59.11	409.14	2.84	-56.27
CC[N@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2	REAL300030685555	0	58	0.0	-62.21	418.07	2.89	-59.32
CC[N@@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2	REAL300030685555	1	58	0.0	-62.36	418.06	2.90	-59.46
CC[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2)[NH+](C)C	REAL300030685558	0	58	0.0	-59.80	406.32	2.85	-56.95
C[NH+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2	REAL300030685573	0	52	0.0	-61.18	377.97	1.68	-59.50
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2)[NH+]1CCC1	REAL300030685577	1	56	0.0	-57.48	405.58	2.79	-54.69
C[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2)C1CC1	REAL300030685584	0	56	0.0	-58.52	407.23	3.09	-55.43
C[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2)C1CC1	REAL300030685584	1	56	0.0	-58.02	407.37	3.09	-54.93
C[NH+]1CC(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC23CCOCC3)C1	REAL300030685589	0	56	0.0	-61.27	409.41	2.50	-58.77
C[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2)[NH+](C)C	REAL300030685597	0	55	0.0	-57.15	395.69	2.12	-55.03
C[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2)[NH+](C)C	REAL300030685616	0	55	0.0	-57.15	395.69	2.12	-55.03
C[C@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2)[NH+](C)C	REAL300030685640	0	55	0.0	-60.60	395.29	2.15	-58.45
CC1C[NH+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC23CCOCC3)C1	REAL300030685648	1	56	0.0	-59.70	408.02	2.85	-56.85
C[N@H+](CCO)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2	REAL300030685658	1	56	0.0	-63.00	406.29	-0.77	-63.77
C[N@@H+](CCO)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2	REAL300030685658	1	56	0.0	-60.29	406.06	-0.74	-61.03
CC[N@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2	REAL300030685663	0	55	0.0	-60.82	396.04	2.47	-58.35
CC[N@@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2	REAL300030685663	1	55	0.0	-53.58	395.82	2.36	-51.22
C[NH+](C)CC=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2	REAL300030685679	0	56	0.0	-64.55	413.93	2.90	-61.65
CC[N@@H+]1CCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2	REAL300030685684	1	56	0.0	-59.70	409.62	2.66	-57.04
CC[N@H+]1CCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2	REAL300030685684	1	56	0.0	-60.43	409.91	2.84	-57.59
CC(C[NH+](C)C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2	REAL300030685729	0	58	0.0	-59.47	415.92	3.19	-56.28
CC1CC[N@@H+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2	REAL300030685740	1	56	0.0	-60.00	409.22	2.78	-57.22
CC1CC[N@H+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2	REAL300030685740	1	56	0.0	-58.92	409.48	2.87	-56.05
NC(=[NH2+])SCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2	REAL300030685760	0	50	0.0	-62.91	386.50	-1.45	-64.36
C[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2	REAL300030685788	0	56	0.0	-59.75	403.93	2.78	-56.97
C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2	REAL300030685788	1	56	0.0	-64.02	397.86	2.34	-61.68
C[N@@H+]1CCCC1C(=O)N1CCC2(CCOCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030685899	0	56	0.0	-51.02	406.10	2.81	-48.21
C[N@H+]1CCCC1C(=O)N1CCC2(CCOCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030685899	1	56	0.0	-69.41	402.82	2.80	-66.61
CCC(C(=O)N1CCC2(CCOCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030685978	0	58	0.0	-68.34	411.27	2.97	-65.37
CCC[N@H+](C)CC(=O)N1CCC2(CCOCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030685982	0	58	0.0	-71.29	420.35	3.36	-67.93
CCC[N@@H+](C)CC(=O)N1CCC2(CCOCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030685982	1	58	0.0	-71.01	420.29	3.34	-67.67
CC[N@H+](C)CCC(=O)N1CCC2(CCOCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030686000	0	58	0.0	-74.26	421.22	3.22	-71.04
CC[N@@H+](C)CCC(=O)N1CCC2(CCOCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030686000	1	58	0.0	-74.29	421.22	3.23	-71.06
CC[C@@H](C(=O)N1CCC2(CCOCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030686043	0	58	0.0	-68.09	406.38	2.78	-65.31
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CCOCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030686090	0	56	0.0	-65.15	399.51	2.50	-62.65
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CCOCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030686090	1	56	0.0	-69.35	402.83	2.79	-66.56
C[C@@H](C(=O)N1CCC2(CCOCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030686146	0	55	0.0	-70.61	397.86	2.35	-68.26
C[N@H+](CCO)CC(=O)N1CCC2(CCOCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030686156	1	56	0.0	-71.21	409.15	-0.63	-71.84
C[N@@H+](CCO)CC(=O)N1CCC2(CCOCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030686156	1	56	0.0	-73.05	408.99	-0.60	-73.65
CC1C[NH+](CC(=O)N2CCC3(CCOCC3)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030686175	1	56	0.0	-71.90	411.04	3.09	-68.81
CC[N@H+](C)CC(=O)N1CCC2(CCOCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030686193	0	55	0.0	-71.06	398.85	2.62	-68.44
CC[N@@H+](C)CC(=O)N1CCC2(CCOCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030686193	1	55	0.0	-71.00	398.80	2.61	-68.39
CC(C[NH+](C)C)C(=O)N1CCC2(CCOCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030686226	0	58	0.0	-76.75	417.37	3.04	-73.71
C[NH+](C)C1(C(=O)N2CCC3(CCOCC3)C(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030686229	0	56	0.0	-80.47	403.10	2.54	-77.93
C[C@H](C(=O)N1CCC2(CCOCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030686233	0	55	0.0	-68.54	396.90	2.32	-66.22
CC[N@@H+]1CCC1C(=O)N1CCC2(CCOCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030686236	1	56	0.0	-72.33	411.81	2.86	-69.47
CC[N@H+]1CCC1C(=O)N1CCC2(CCOCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030686236	1	56	0.0	-69.87	404.19	2.57	-67.30
C[NH+](C)C(C)(C)C(=O)N1CCC2(CCOCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030686245	0	58	0.0	-80.26	402.18	2.47	-77.79
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CCOCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030686309	0	56	0.0	-66.94	402.93	2.71	-64.23
C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CCOCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030686309	1	56	0.0	-68.13	399.71	2.47	-65.66
C[N@H+](CC(=O)N1CCC2(CCOCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030686348	0	56	0.0	-68.27	410.39	3.36	-64.91
C[N@@H+](CC(=O)N1CCC2(CCOCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030686348	1	56	0.0	-69.14	410.48	3.34	-65.80
C[NH+]1CC(CC(=O)N2CCC3(CCOCC3)C(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030686377	0	56	0.0	-74.91	412.38	2.80	-72.11
C[NH+](C)CC(=O)N1CCC2(CCOCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030686380	0	52	0.0	-71.56	381.09	1.94	-69.62
C[C@@H](C(=O)N1CCC2(CCOCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030686383	0	55	0.0	-70.61	397.86	2.35	-68.26
CC1CC[N@@H+]1CC(=O)N1CCC2(CCOCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030686392	1	56	0.0	-69.08	406.83	2.76	-66.32
CC1CC[N@H+]1CC(=O)N1CCC2(CCOCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030686392	1	56	0.0	-69.26	406.88	2.75	-66.51
C[NH+](C)CC=CC(=O)N1CCC2(CCOCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030686393	0	56	0.0	-79.78	416.01	3.19	-76.59
CC[NH+](CC)CC(=O)N1CCC2(CCOCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030686399	0	58	0.0	-69.04	417.12	3.31	-65.73
O=C(C[NH+]1CCC1)N1CCC2(CCOCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030686400	1	53	0.0	-72.01	391.39	2.40	-69.61
CC(C(=O)N1CCC2(CCOCC2)C(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030686424	1	56	0.0	-53.52	399.91	2.50	-51.02
C[N@@H+]1CCCC1C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030686620	0	46	0.0	-61.07	347.12	4.20	-56.87
C[N@H+]1CCCC1C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030686620	1	46	0.0	-56.33	346.91	4.25	-52.08
C[N@@H+]1CCOC(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030686644	1	47	0.0	-86.46	349.89	3.51	-82.95
C[N@H+]1CCOC(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030686644	1	47	0.0	-77.23	349.83	3.47	-73.76
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030686834	1	53	0.0	-57.62	409.45	6.63	-50.99
CC(C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCCC1	REAL300030686841	0	55	0.0	-57.50	389.69	5.83	-51.67
CC(C)[N@@H+]1CCCCC1C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030686844	0	55	0.0	-53.91	392.55	5.79	-48.12
CC(C)[N@H+]1CCCCC1C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030686844	1	55	0.0	-60.47	387.82	5.61	-54.86
CC(C)[N@@H+]1CCCC1C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030686879	0	52	0.0	-53.21	352.09	4.80	-48.41
CC(C)[N@H+]1CCCC1C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030686879	1	52	0.0	-51.74	355.30	4.77	-46.97
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1CC3CCCC[N@@H+]3C1)C2	REAL300030686906	0	53	0.0	-60.17	381.76	5.95	-54.22
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1CC3CCCC[N@H+]3C1)C2	REAL300030686906	1	53	0.0	-58.29	390.24	6.14	-52.15
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030686942	1	50	0.0	-56.82	389.65	6.19	-50.63
CC1=[NH+]C=CN1CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030686998	1	44	0.0	-59.47	353.23	5.05	-54.42
CC(C[NH+]1CCOCC1)C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030687000	0	53	0.0	-65.99	391.97	3.90	-62.09
O=C(CCC[NH+]1CCCCC1)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030687022	0	55	0.0	-62.19	409.50	6.73	-55.46
CC(C)(C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCC1	REAL300030687051	0	55	0.0	-65.13	383.30	5.99	-59.14
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1C[NH+]3CCC1CC3)C2	REAL300030687070	0	50	0.0	-77.04	361.49	4.96	-72.08
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1CCCC3CCC[N@@H+]31)C2	REAL300030687133	0	53	0.0	-53.59	376.53	5.47	-48.12
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1CCCC3CCC[N@H+]31)C2	REAL300030687133	1	53	0.0	-53.58	376.87	5.50	-48.08
C[NH+](C)CCN1C=C(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C=N1	REAL300030687135	0	52	0.0	-71.16	404.83	4.58	-66.58
C[NH+](C)CCN1C=CC(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300030687151	0	52	0.0	-92.99	405.32	5.24	-87.75
C[C@@H]1[C@H](C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030687158	0	49	0.0	-56.68	354.33	4.25	-52.43
C[C@@H]1[C@H](C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030687158	1	49	0.0	-65.93	364.07	4.96	-60.97
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030687161	1	53	0.0	-58.64	409.77	6.72	-51.92
CC[C@@H]1[C@@H](C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030687164	0	52	0.0	-78.26	379.28	5.03	-73.23
CC[C@@H]1[C@@H](C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030687164	1	52	0.0	-77.61	385.37	5.52	-72.09
CC[N@@H+]1CCOC(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030687190	1	50	0.0	-62.05	371.90	4.19	-57.86
CC[N@H+]1CCOC(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030687190	1	50	0.0	-88.11	375.49	4.27	-83.84
CC[NH+](CC)CC(F)C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030687259	0	51	0.0	-67.20	382.00	5.15	-62.05
C[NH+](C)CC1=C(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)SC=C1	REAL300030687260	0	49	0.0	-75.66	396.24	5.97	-69.69
CC1CCC(C)[NH+]1CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030687376	0	52	0.0	-55.95	379.26	5.27	-50.68
O=C(CCC[NH+]1CCCC1)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030687383	0	52	0.0	-62.20	393.82	6.01	-56.19
C[NH+](C)CC1=CC=CC(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030687384	0	52	0.0	-71.34	402.09	6.62	-64.72
C#CC[NH+]1CCC(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030687391	0	51	0.0	-65.50	387.78	5.96	-59.54
O=C(CC[NH+]1CCCCC1)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030687392	0	52	0.0	-60.88	387.99	5.91	-54.97
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030687396	0	52	0.0	-50.84	394.45	6.83	-44.01
CC[N@@H+]1CCCCC1C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030687406	0	52	0.0	-61.03	377.54	5.38	-55.65
CC[N@H+]1CCCCC1C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030687406	1	52	0.0	-55.28	371.11	5.09	-50.19
CC(C)C(C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCC1	REAL300030687407	0	58	0.0	-65.18	398.94	6.44	-58.74
C[NH+](C)C(C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300030687410	1	52	0.0	-50.96	392.20	6.65	-44.31
CC(C)C[N@@H+]1CCC(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030687436	0	55	0.0	-57.43	399.23	6.18	-51.25
CC(C)C[N@H+]1CCC(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030687436	1	55	0.0	-63.33	404.60	6.26	-57.07
C[NH+](C)C1(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CCC1	REAL300030687440	0	49	0.0	-48.29	338.65	4.00	-44.29
C[NH+](C)C(CN1C=CC=N1)C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030687442	1	52	0.0	-58.90	394.20	5.09	-53.81
CC(C)[N@@H+]1CCCC1CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030687448	0	55	0.0	-60.25	395.22	5.63	-54.62
CC(C)[N@H+]1CCCC1CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030687448	1	55	0.0	-60.44	394.36	5.60	-54.84
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1CCC[N@@H+]1C1CCCC1)C2	REAL300030687449	0	56	0.0	-59.28	407.43	6.72	-52.56
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1CCC[N@H+]1C1CCCC1)C2	REAL300030687449	1	56	0.0	-60.30	408.24	6.79	-53.51
CC(C)[C@@H](C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030687476	0	51	0.0	-53.58	366.06	5.09	-48.49
C[N@H+](CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300030687542	0	49	0.0	-58.62	370.02	5.42	-53.20
C[N@@H+](CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300030687542	1	49	0.0	-56.30	369.91	5.40	-50.90
CC(C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1C(C)CCC1C	REAL300030687637	0	55	0.0	-50.99	389.81	5.61	-45.38
CN(CCC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=[NH+]C=C1	REAL300030687719	0	51	0.0	-53.22	398.72	5.15	-48.07
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030687732	1	48	0.0	-62.63	369.29	5.17	-57.46
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030687732	1	48	0.0	-62.94	375.30	5.57	-57.37
C[N@@H+]1CCCC1CCC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030687742	0	52	0.0	-57.81	387.64	5.78	-52.03
C[N@H+]1CCCC1CCC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030687742	1	52	0.0	-64.84	385.91	5.52	-59.32
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C13CCC[NH+](CCC1)C3)C2	REAL300030687756	0	53	0.0	-67.56	369.53	5.02	-62.54
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1CCC3CCCC[N@@H+]31)C2	REAL300030687764	0	53	0.0	-59.78	382.37	5.77	-54.01
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1CCC3CCCC[N@H+]31)C2	REAL300030687764	1	53	0.0	-54.54	388.37	6.17	-48.37
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030687773	0	56	0.0	-73.05	392.33	4.09	-68.96
O=C(CCCC[NH+]1CCCC1)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030687793	0	55	0.0	-64.68	415.14	6.81	-57.87
C[N@H+](CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300030687796	1	52	0.0	-62.36	400.47	7.04	-55.32
C[N@@H+](CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300030687796	1	52	0.0	-61.02	400.50	7.00	-54.02
C[NH+]1CCC(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030687814	0	49	0.0	-70.35	367.61	5.02	-65.33
C[NH+](C)CC1=CC(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)=NO1	REAL300030687881	1	48	0.0	-74.40	378.71	4.69	-69.71
CC1=C(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C=CC2=C[NH+]=CN21	REAL300030687883	0	47	0.0	-77.18	376.75	7.05	-70.13
C[N@@H+]1CCCCC1C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030687932	0	49	0.0	-52.51	364.52	4.98	-47.53
C[N@H+]1CCCCC1C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030687932	1	49	0.0	-53.64	352.93	4.47	-49.17
CC(C)C[N@@H+]1CCCC1C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030687966	0	55	0.0	-65.82	406.99	6.45	-59.37
CC(C)C[N@H+]1CCCC1C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030687966	1	55	0.0	-50.48	387.62	5.85	-44.63
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1=CN3C=[NH+]C=C3C=C1)C2	REAL300030688132	0	44	0.0	-77.80	358.64	6.81	-70.99
CC1=[NH+]C=CN1CCCC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030688147	1	50	0.0	-59.34	394.96	6.39	-52.95
O=C(CCCC[NH+]1CCOCC1)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030688151	1	56	0.0	-68.11	422.26	5.08	-63.03
C[NH+](C)CC1=CC=C(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C=C1	REAL300030688157	0	52	0.0	-89.24	401.40	6.62	-82.62
O=C(CC[NH+]1CCOCC1)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030688158	1	50	0.0	-64.38	379.09	3.51	-60.87
C[NH+](C)C(C)(C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300030688178	0	55	0.0	-73.41	387.51	6.31	-67.10
CCC[NH+](CCC)CCCC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030688186	0	60	0.0	-62.74	446.55	7.70	-55.04
CC[N@H+](C)C(C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300030688187	0	55	0.0	-49.89	411.39	7.31	-42.58
CC[N@@H+](C)C(C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300030688187	1	55	0.0	-67.27	409.08	7.71	-59.56
CC1=C[NH+]=CN1CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030688210	1	44	0.0	-55.56	353.57	5.78	-49.78
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030688223	1	51	0.0	-53.60	395.43	7.52	-46.08
C[NH+](C)CC1(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CCCCC1	REAL300030688271	0	58	0.0	-41.80	363.81	5.31	-36.49
C[NH+](C)CCC1=CC=CC=C1C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030688272	0	55	0.0	-72.42	415.89	7.23	-65.19
C[N@H+](CCC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCCC1	REAL300030688278	0	58	0.0	-62.80	422.40	7.04	-55.76
C[N@@H+](CCC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCCC1	REAL300030688278	1	58	0.0	-60.71	422.41	7.08	-53.63
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C13CCC[NH+]1CCC3)C2	REAL300030688283	0	50	0.0	-58.18	355.70	4.68	-53.50
C[NH+](C)C1CCCC(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030688323	0	55	0.0	-69.59	402.24	6.08	-63.51
C[N@@H+]1CCC(CC(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030688330	0	49	0.0	-66.13	370.79	5.05	-61.08
C[N@H+]1CCC(CC(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030688330	1	49	0.0	-67.52	370.24	5.07	-62.45
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030688344	0	48	0.0	-75.07	374.74	3.26	-71.81
CCC(C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030688350	0	48	0.0	-52.82	353.90	4.48	-48.34
C[NH+](C)C1(CC(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300030688374	0	55	0.0	-62.87	387.61	5.94	-56.93
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1=CC3=C[NH+]=CN3C=C1)C2	REAL300030688446	1	44	0.0	-73.33	358.77	6.83	-66.50
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1=NN(C3=CC=[NH+]C=C3)C=C1)C2	REAL300030688491	1	47	0.0	-88.97	380.32	5.18	-83.79
C[NH+](C)CCCCC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030688526	0	51	0.0	-66.58	389.36	5.62	-60.96
CC(C)C(C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030688548	0	51	0.0	-65.35	366.60	5.11	-60.24
CCC[N@H+](C)CCC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030688550	0	51	0.0	-61.70	385.42	5.47	-56.23
CCC[N@@H+](C)CCC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030688550	1	51	0.0	-62.21	385.41	5.47	-56.74
CCC[N@H+](C)CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030688557	0	48	0.0	-58.88	363.02	4.82	-54.06
CCC[N@@H+](C)CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030688557	1	48	0.0	-58.31	363.03	4.84	-53.47
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C13CC[N@H+](C1)CCC3)C2	REAL300030688588	0	50	0.0	-59.86	352.43	3.96	-55.90
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C13CC[N@@H+](C1)CCC3)C2	REAL300030688588	1	50	0.0	-63.99	355.32	4.19	-59.80
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030688657	0	46	0.0	-49.80	340.85	3.84	-45.96
C[N@H+]1CCC[C@@H]1C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030688657	1	46	0.0	-59.88	338.43	4.28	-55.60
CC1CC2CCC(C(=O)N3CC4CC(C3)N(C(=O)C3=CC(=O)[N-]O3)C4)C[N@@H+]2C1	REAL300030688685	0	56	0.0	-68.87	410.63	6.68	-62.19
CC1CC2CCC(C(=O)N3CC4CC(C3)N(C(=O)C3=CC(=O)[N-]O3)C4)C[N@H+]2C1	REAL300030688685	1	56	0.0	-57.47	410.87	6.63	-50.84
CCCCCC[N@H+](C)CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030688742	0	57	0.0	-59.84	427.52	7.16	-52.68
CCCCCC[N@@H+](C)CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030688742	1	57	0.0	-59.27	427.53	7.19	-52.08
CC[NH+](CC)C(C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)C(C)C	REAL300030688753	0	57	0.0	-65.19	386.19	5.62	-59.57
CC[NH+](CC)CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030688764	0	48	0.0	-58.66	355.59	4.52	-54.14
CCC[N@@H+]1CCCC(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030688798	0	55	0.0	-56.21	397.68	6.45	-49.76
CCC[N@H+]1CCCC(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030688798	1	55	0.0	-56.68	406.30	6.28	-50.40
CC(C)[N@@H+]1CCOC(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030688822	1	53	0.0	-62.08	384.13	4.46	-57.62
CC(C)[N@H+]1CCOC(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030688822	1	53	0.0	-80.27	384.04	4.63	-75.64
CC1CC[NH+](CC(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030688864	0	52	0.0	-58.85	386.91	5.93	-52.92
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1=CN(C3=CC=[NH+]C=C3)N=C1)C2	REAL300030688896	1	47	0.0	-75.49	380.91	4.58	-70.91
C[NH+]1CCC(OCC(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030688906	0	53	0.0	-70.79	403.91	5.61	-65.18
C[NH+](C)CC1(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030688925	0	49	0.0	-48.83	359.13	4.46	-44.37
CC1=[NH+]C=C2CCC(C(=O)N3CC4CC(C3)N(C(=O)C3=CC(=O)[N-]O3)C4)CN21	REAL300030688926	1	51	0.0	-67.44	391.29	5.95	-61.49
CC(C)[NH+]1CCC(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030689033	0	55	0.0	-58.93	396.93	5.94	-52.99
C[NH+]1CCC(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030689064	0	49	0.0	-70.35	367.61	5.02	-65.33
CC(C)[C@H](C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030689087	0	51	0.0	-50.53	366.76	4.94	-45.59
CCC(C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](CC)CC	REAL300030689126	0	54	0.0	-57.53	380.28	5.50	-52.03
CC[N@H+](C)CCC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030689225	0	48	0.0	-61.17	363.91	4.72	-56.45
CC[N@@H+](C)CCC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030689225	1	48	0.0	-61.62	364.11	4.72	-56.90
CC1CCC[N@@H+]1CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030689307	0	49	0.0	-55.70	369.08	5.22	-50.48
CC1CCC[N@H+]1CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030689307	1	49	0.0	-57.34	362.46	4.80	-52.54
CC1CC[N@H+](CC(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030689310	0	49	0.0	-58.84	370.04	5.15	-53.69
CC1CC[N@@H+](CC(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030689310	1	49	0.0	-58.94	369.84	5.08	-53.86
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030689311	0	55	0.0	-51.63	396.79	5.49	-46.14
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030689311	1	55	0.0	-51.01	395.35	5.57	-45.44
CC1=[NH+]C=C2CC(C(=O)N3CC4CC(C3)N(C(=O)C3=CC(=O)[N-]O3)C4)CCN21	REAL300030689313	1	51	0.0	-60.88	391.52	6.03	-54.85
C[NH+](C)CCC1=CC=C(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C=C1	REAL300030689315	0	55	0.0	-81.98	423.61	7.46	-74.52
CC1(C)CC[N@H+](CC(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030689317	0	52	0.0	-57.26	388.61	5.67	-51.59
CC1(C)CC[N@@H+](CC(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030689317	1	52	0.0	-57.76	389.45	5.66	-52.10
C[N@H+](CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300030689318	0	54	0.0	-59.27	393.44	5.95	-53.32
C[N@@H+](CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300030689318	1	54	0.0	-57.03	393.60	6.00	-51.03
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030689319	0	55	0.0	-61.67	422.94	7.87	-53.80
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030689319	1	55	0.0	-62.50	422.93	7.84	-54.66
CC[C@@H](C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030689331	0	48	0.0	-58.92	342.93	4.20	-54.72
CC(COCC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCC1	REAL300030689339	0	56	0.0	-65.17	422.63	6.28	-58.89
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1CC[NH+](CC3CC3)CC1)C2	REAL300030689441	0	56	0.0	-62.80	413.47	6.97	-55.83
C[NH+]1CCC(O)(CC(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030689598	0	53	0.0	-55.62	391.44	3.87	-51.75
COCC[N@@H+]1CCCC1CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030689605	0	56	0.0	-56.12	414.64	5.29	-50.83
COCC[N@H+]1CCCC1CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030689605	1	56	0.0	-57.73	422.03	4.95	-52.78
C[NH+](C)CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030689613	0	42	0.0	-59.51	323.82	3.45	-56.06
O=C(C[NH+]1CCC(CO)CC1)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030689618	0	53	0.0	-59.61	397.41	2.61	-57.00
O=C(C[NH+]1CCCCCC1)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030689622	0	52	0.0	-61.48	374.89	5.50	-55.98
CN1C=C[N+](CC(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030689627	0	44	0.0	-55.21	355.23	6.94	-48.27
C[N@@H+]1CCCC(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030689638	0	49	0.0	-57.12	358.70	5.02	-52.10
C[N@H+]1CCCC(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030689638	1	49	0.0	-71.54	367.66	4.97	-66.57
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1CCC[N@@H+]1C1CC1)C2	REAL300030689644	0	50	0.0	-67.15	375.19	5.39	-61.76
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1CCC[N@H+]1C1CC1)C2	REAL300030689644	1	50	0.0	-50.55	357.96	4.85	-45.70
CC(C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300030689684	1	46	0.0	-52.68	351.61	4.33	-48.35
CCC(CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300030689694	0	54	0.0	-71.62	398.83	6.12	-65.50
C[NH+](C)CC(C)(C)C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030689703	0	51	0.0	-74.16	356.36	4.89	-69.27
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C13CC(C1)C[N@@H+]3C1CC1)C2	REAL300030689727	0	51	0.0	-67.20	376.33	6.74	-60.46
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C13CC(C1)C[N@H+]3C1CC1)C2	REAL300030689727	1	51	0.0	-67.65	376.65	6.56	-61.09
O=C(C[NH+]1CCC(O)CC1)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030689751	1	50	0.0	-62.83	376.97	1.98	-60.85
C[N@H+](CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030689753	0	46	0.0	-57.62	353.10	4.87	-52.75
C[N@@H+](CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030689753	1	46	0.0	-57.60	353.42	4.84	-52.76
CC(C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)N1CC[NH+](C)CC1	REAL300030689754	1	54	0.0	-51.78	399.41	3.31	-48.47
C[NH+]1CC(CC(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030689784	0	46	0.0	-65.62	355.42	4.31	-61.31
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1CC[N@@H+]1C1CCCC1)C2	REAL300030689788	0	53	0.0	-57.02	370.22	5.46	-51.56
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1CC[N@H+]1C1CCCC1)C2	REAL300030689788	1	53	0.0	-58.53	393.67	6.09	-52.44
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030689797	0	52	0.0	-61.89	363.96	4.51	-57.38
CC(C)(C)[N@H+]1CCC1C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030689797	1	52	0.0	-53.24	359.58	4.31	-48.93
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1CCN(C3=CC=[NH+]C=C3)C1)C2	REAL300030689808	0	52	0.0	-73.02	394.18	3.82	-69.20
C[C@@H](C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030689811	0	45	0.0	-55.81	339.74	3.79	-52.02
CCC1CCC[N@H+](CC(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030689865	0	55	0.0	-58.41	404.72	6.55	-51.86
CCC1CCC[N@@H+](CC(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030689865	1	55	0.0	-58.29	404.77	6.56	-51.73
C[NH+](C)CC1=CC=C(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300030689874	0	50	0.0	-84.20	387.20	5.10	-79.10
C[NH+]1C2CCC1CC(CC(=O)N1CC3CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030689889	0	56	0.0	-73.64	389.66	5.94	-67.70
C[NH+](C)C(CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300030689896	0	55	0.0	-68.77	413.99	7.50	-61.27
[NH2+]=C1SC=CN1CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030689938	0	42	0.0	-58.75	350.87	3.62	-55.13
C[N@H+](CCO)CCC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030689952	0	49	0.0	-63.91	374.27	1.50	-62.41
C[N@@H+](CCO)CCC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030689952	1	49	0.0	-59.64	374.25	1.48	-58.16
C[C@@H](C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030689953	0	45	0.0	-55.81	339.74	3.79	-52.02
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030689958	0	49	0.0	-56.00	353.11	4.54	-51.46
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030689958	1	49	0.0	-50.37	363.48	4.91	-45.46
CC1CN2CC[N@@H+]1CC2C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030689968	0	52	0.0	-75.07	373.38	2.03	-73.04
CC1CN2CC[N@H+]1CC2C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030689968	1	52	0.0	-75.38	373.36	2.04	-73.34
COC1C[N@@H+]2CCCC2(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030690021	0	54	0.0	-70.40	378.95	3.71	-66.69
COC1C[N@H+]2CCCC2(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030690021	1	54	0.0	-85.43	384.48	3.71	-81.72
O=C(CC1=CC2=C[NH+]=CN2C=C1)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690037	0	47	0.0	-66.10	378.23	7.68	-58.42
C[N@H+](CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300030690071	0	50	0.0	-63.87	383.16	5.69	-58.18
C[N@@H+](CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300030690071	1	50	0.0	-66.59	383.33	5.66	-60.93
O=C(C[NH+]1CCC1)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690072	1	43	0.0	-59.65	334.03	3.96	-55.69
C[NH+](C)CC1=CC(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)=CC=N1	REAL300030690111	1	51	0.0	-64.64	396.80	5.11	-59.53
C[N@@H+]1CCC(=CC(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030690113	0	47	0.0	-76.07	361.84	4.96	-71.11
C[N@H+]1CCC(=CC(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030690113	1	47	0.0	-78.03	361.62	4.99	-73.04
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1C[NH+](C3CCCCC3)C1)C2	REAL300030690141	0	56	0.0	-64.51	414.99	6.82	-57.69
C[NH+](C)CCOCC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690160	0	49	0.0	-59.70	379.87	4.58	-55.12
CCCCC[N@H+](C)CCC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690167	0	57	0.0	-62.32	428.41	7.02	-55.30
CCCCC[N@@H+](C)CCC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690167	1	57	0.0	-63.00	428.41	7.02	-55.98
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030690177	0	53	0.0	-67.07	395.50	5.06	-62.01
C=CCC(C)(C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030690189	0	52	0.0	-76.70	361.55	4.72	-71.98
C[S+](C)CCC(O)C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690194	0	48	0.0	-89.19	385.14	2.89	-86.30
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690232	0	50	0.0	-59.71	360.18	0.49	-59.22
CN1CC[N@H+](C)CC(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030690247	0	54	0.0	-51.84	394.29	2.98	-48.86
CN1CC[N@@H+](C)CC(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030690247	1	54	0.0	-51.84	394.29	2.98	-48.86
CC(C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)[N@@H+]1CCCC(O)C1	REAL300030690248	0	53	0.0	-60.76	386.94	2.26	-58.50
C[N@@H+]1CCCC(O)(CC(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030690275	0	53	0.0	-63.68	394.05	3.83	-59.85
C[N@H+]1CCCC(O)(CC(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030690275	1	53	0.0	-63.68	394.05	3.83	-59.85
CC1CN(CC(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030690279	0	46	0.0	-60.16	353.90	4.59	-55.57
CC1C[NH+](CC(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030690279	1	46	0.0	-60.16	353.90	4.59	-55.57
CN(CCO)CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690310	0	46	0.0	-57.48	351.88	0.87	-56.61
C[N@H+](CCO)CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690310	1	46	0.0	-60.24	351.66	0.84	-59.40
C[N@@H+](CCO)CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690310	1	46	0.0	-60.24	351.66	0.84	-59.40
C[NH+]1C2CCC1CC(=CC(=O)N1CC3CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030690336	0	54	0.0	-64.95	395.20	6.14	-58.81
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1C[N@@H+]3CCN1CCC3)C2	REAL300030690341	0	52	0.0	-77.56	370.51	2.66	-74.90
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1C[N@H+]3CCN1CCC3)C2	REAL300030690341	1	52	0.0	-77.56	370.51	2.66	-74.90
CC[N@@H+]1CCCC(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030690350	0	52	0.0	-56.23	384.79	5.54	-50.69
CC[N@H+]1CCCC(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030690350	1	52	0.0	-56.23	384.79	5.54	-50.69
CC(CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300030690352	0	51	0.0	-70.65	381.11	5.47	-65.18
CC[N@H+](C)CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690369	0	45	0.0	-58.28	341.55	4.13	-54.15
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C13CCC[N@@H+]1CCCC3)C2	REAL300030690400	0	53	0.0	-55.91	365.27	5.10	-50.81
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C13CCC[N@H+]1CCCC3)C2	REAL300030690400	1	53	0.0	-55.91	365.27	5.10	-50.81
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C13CCC[N@@H+]1CC=CC3)C2	REAL300030690410	0	51	0.0	-54.49	359.01	4.97	-49.52
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C13CCC[N@H+]1CC=CC3)C2	REAL300030690410	1	51	0.0	-54.49	359.01	4.97	-49.52
CC[N@H+](CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030690439	0	49	0.0	-55.82	368.53	5.21	-50.61
CC[NH+](CC)CCC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690464	0	51	0.0	-60.30	377.59	5.13	-55.17
CC1(C)CN(CC(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030690498	0	49	0.0	-59.19	374.39	5.06	-54.13
CC1(C)C[NH+](CC(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030690498	1	49	0.0	-59.19	374.39	5.06	-54.13
O=C(CCCC[NH+]1CCCCC1)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690504	0	58	0.0	-64.91	431.00	7.50	-57.41
CC1(O)CC[N@H+](CC(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030690539	0	50	0.0	-61.18	380.46	1.84	-59.34
C[NH+](C)CC=CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690552	0	46	0.0	-80.17	358.74	4.69	-75.48
CC(OCC[NH+](C)C)C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690582	0	52	0.0	-69.25	390.13	4.85	-64.40
C[NH+](C)CCOCCC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690594	0	52	0.0	-68.10	400.81	4.29	-63.81
COCCN(C)CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690595	0	49	0.0	-61.54	373.91	3.25	-58.29
COCC[N@H+](C)CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690595	1	49	0.0	-57.10	374.14	3.27	-53.83
COCC[N@@H+](C)CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690595	1	49	0.0	-57.10	374.14	3.27	-53.83
COCCCC[N@H+](C)CCC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690628	0	58	0.0	-65.66	440.58	5.31	-60.35
COCCCC[N@@H+](C)CCC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690628	1	58	0.0	-65.66	440.58	5.31	-60.35
C[NH+](C)C1(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300030690654	0	52	0.0	-53.07	351.69	4.87	-48.20
CC(CCC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030690657	0	51	0.0	-58.04	377.34	5.24	-52.80
CCN1CCC1C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690668	0	46	0.0	-60.05	347.83	4.12	-55.93
CC[N@@H+]1CCC1C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690668	1	46	0.0	-59.26	346.96	4.07	-55.19
CC[N@H+]1CCC1C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690668	1	46	0.0	-59.26	346.96	4.07	-55.19
CC(C)[N@@H+]1CCCC(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030690683	0	55	0.0	-63.17	393.24	6.23	-56.94
CC(C)[N@H+]1CCCC(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030690683	1	55	0.0	-63.17	393.24	6.23	-56.94
CC(C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)[N@H+](C)CC1=CC=CC=C1	REAL300030690690	0	55	0.0	-55.74	416.24	7.38	-48.36
O=C(C[N@H+]1CCCC1CO)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690699	0	50	0.0	-60.24	369.60	1.98	-58.26
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1CC3CCCC[N@@H+]3C1)C2	REAL300030690729	0	53	0.0	-58.29	390.24	6.14	-52.15
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1CC3CCCC[N@H+]3C1)C2	REAL300030690729	1	53	0.0	-58.29	390.24	6.14	-52.15
C[NH+]1CCC(C)(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030690739	0	52	0.0	-43.82	356.27	4.38	-39.44
C=CCC(C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030690785	0	49	0.0	-53.50	367.83	4.99	-48.51
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690805	0	52	0.0	-65.62	382.69	5.03	-60.59
C[N@H+]1CC(C)(C)CC1C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690805	1	52	0.0	-65.62	382.69	5.03	-60.59
C[NH+](C)CCCCCC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690810	0	54	0.0	-68.11	410.86	6.40	-61.71
CC1C[N@@H+]2CCN1C(C(=O)N1CC3CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030690862	0	52	0.0	-63.64	352.60	2.80	-60.84
CC1C[N@H+]2CCN1C(C(=O)N1CC3CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030690862	1	52	0.0	-49.67	367.99	2.07	-47.60
CCCC(C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030690863	0	51	0.0	-54.04	375.33	5.25	-48.79
C[NH+](C)C(C)(C)C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690868	0	48	0.0	-70.89	340.46	4.16	-66.73
CC[NH+](CC)CCSCC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690911	0	55	0.0	-67.71	422.13	6.55	-61.16
C[N@@H+]1CCCCC1C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690923	0	49	0.0	-52.51	364.52	4.98	-47.53
C[N@H+]1CCCCC1C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690923	1	49	0.0	-53.64	352.93	4.47	-49.17
C[N@H+]1CC=C(CC(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030690979	0	50	0.0	-64.84	382.90	5.81	-59.03
C[N@@H+]1CC=C(CC(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030690979	1	50	0.0	-62.93	382.89	5.80	-57.13
O=C(CC1([NH+]2CCCC2)CC1)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690991	0	53	0.0	-57.91	388.91	6.24	-51.67
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030691050	0	58	0.0	-64.21	399.02	6.07	-58.14
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030691050	1	58	0.0	-64.21	399.02	6.07	-58.14
CN(C)CC1=CC=C(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030691055	0	49	0.0	-89.16	385.55	5.34	-83.82
C[NH+](C)CC1=CC=C(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030691055	1	49	0.0	-89.16	385.55	5.34	-83.82
O=C(C=CC[NH+]1CCCC1)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030691079	0	50	0.0	-78.44	385.09	5.89	-72.55
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1CC[NH+](C3CC3)CC1)C2	REAL300030691108	0	53	0.0	-64.40	391.79	6.18	-58.22
O=C(CC[NH+]1CCCC1)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030691137	0	49	0.0	-61.40	372.32	5.21	-56.19
C[N@@H+]1CC2CC1(C(=O)N1CC3CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030691203	0	47	0.0	-69.81	350.86	4.27	-65.54
O=C(C[N@@H+]1CC2CCC1C2)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030691219	0	50	0.0	-56.19	370.38	5.49	-50.70
O=C(C[N@H+]1CC2CCC1C2)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030691219	1	50	0.0	-56.19	370.38	5.49	-50.70
CC(C)[NH+]1CCC(CC(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030691233	0	58	0.0	-57.41	421.53	7.06	-50.35
O=C(C=C1C[NH+]2CCC1CC2)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030691285	0	51	0.0	-66.65	379.42	5.86	-60.79
O=C(CN1CC2C=CC1C2)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030691299	0	48	0.0	-59.97	363.18	5.31	-54.66
O=C(C[N@@H+]1CC2C=CC1C2)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030691299	1	48	0.0	-57.67	363.35	5.44	-52.23
O=C(C[N@H+]1CC2C=CC1C2)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030691299	1	48	0.0	-57.67	363.35	5.44	-52.23
C[NH+](C)CC(C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300030691340	0	55	0.0	-61.42	405.12	6.70	-54.72
CC(C[NH+](C)C)C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030691369	0	48	0.0	-55.89	358.20	4.45	-51.44
C[N@@H+]1CCCCC1CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030691474	0	52	0.0	-60.87	383.23	5.64	-55.23
C[N@H+]1CCCCC1CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030691474	1	52	0.0	-60.87	383.23	5.64	-55.23
CC1=C2C=C(C(=O)N3CC4CC(C3)N(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=N1	REAL300030691497	0	47	0.0	-69.81	380.68	7.39	-62.42
CC1=C2C=C(C(=O)N3CC4CC(C3)N(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300030691497	1	47	0.0	-69.81	380.68	7.39	-62.42
CC1CCN1CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030691502	0	46	0.0	-57.36	349.76	4.16	-53.20
CC1CC[N@@H+]1CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030691502	1	46	0.0	-59.74	355.08	4.49	-55.25
CC1CC[N@H+]1CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030691502	1	46	0.0	-59.74	355.08	4.49	-55.25
C[NH+](C)CC(O)CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030691507	0	49	0.0	-66.16	376.47	2.51	-63.65
CC1CN(C)CC(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030691546	0	50	0.0	-85.86	370.67	4.22	-81.64
CC1C[N@H+](C)CC(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030691546	1	50	0.0	-80.80	371.48	4.36	-76.44
CC1C[N@@H+](C)CC(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030691546	1	50	0.0	-80.80	371.48	4.36	-76.44
O=C(CC[NH+]1CCC(O)CC1)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030691559	0	53	0.0	-63.70	399.09	2.57	-61.13
CCC[N@@H+]1CCCCC1C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030691562	0	55	0.0	-62.67	400.20	6.16	-56.51
CCC[N@H+]1CCCCC1C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030691562	1	55	0.0	-62.67	400.20	6.16	-56.51
CC[NH+]1CCN(CCC(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030691567	0	57	0.0	-62.54	422.60	4.15	-58.39
CCN1CC[NH+](CCC(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030691567	1	57	0.0	-62.54	422.60	4.15	-58.39
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)[C@@H]1CCC[N@@H+]3CCCC[C@H]13)C2	REAL300030691570	0	56	0.0	-58.03	396.84	6.76	-51.27
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)[C@@H]1CCC[N@H+]3CCCC[C@H]13)C2	REAL300030691570	1	56	0.0	-58.03	396.84	6.76	-51.27
CC(C)C[NH+]1CCC(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030691620	0	58	0.0	-61.86	419.20	6.84	-55.02
C[NH+](C)C1CCN(CC(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030691648	0	57	0.0	-68.96	417.30	4.04	-64.92
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030691671	0	49	0.0	-53.52	368.68	4.93	-48.59
CC(CC[NH+](C)C)C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030691679	0	51	0.0	-51.46	381.04	5.05	-46.41
C[N@H+](CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300030691713	0	53	0.0	-58.23	394.68	2.83	-55.40
C#CCN1CCCCC1C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030691723	0	51	0.0	-62.85	381.66	5.89	-56.96
C#CC[N@H+]1CCCCC1C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030691723	1	51	0.0	-62.84	381.90	5.90	-56.94
C#CC[N@@H+]1CCCCC1C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030691723	1	51	0.0	-62.84	381.90	5.90	-56.94
CN1CCN(CC(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030691730	0	51	0.0	-67.53	382.84	2.94	-64.59
C[NH+]1CCN(CC(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030691730	1	51	0.0	-67.53	382.84	2.94	-64.59
NC(=[NH2+])SCC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030691776	0	40	0.0	-62.56	331.92	0.48	-62.08
CC[N@H+]1CCOCC1CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030691824	1	53	0.0	-61.74	391.77	3.93	-57.81
C[NH+](C)CCC1(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300030691843	0	58	0.0	-34.63	391.70	6.22	-28.41
CC1CCCC(C)[NH+]1CCC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030691845	0	58	0.0	-58.17	418.00	6.63	-51.54
C[NH+](C)C1CCC(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030691848	0	55	0.0	-69.88	392.36	5.91	-63.97
C[NH+](C)CCC1(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030691849	0	52	0.0	-81.19	381.01	5.32	-75.87
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030691853	0	55	0.0	-72.10	392.55	5.87	-66.23
C[N@@H+]1CC=CCC1CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030691854	0	50	0.0	-60.86	374.92	5.53	-55.33
C[N@H+]1CC=CCC1CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030691854	1	50	0.0	-59.88	370.17	5.44	-54.44
C[C@@H](OCC[NH+](C)C)C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030691886	0	52	0.0	-55.56	394.92	4.98	-50.58
C[NH+]1C2CCC1CC(C(=O)N1CC3CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030691921	0	53	0.0	-56.58	368.85	5.14	-51.44
CC(C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)N1CCSCC1	REAL300030692084	0	50	0.0	-59.64	380.36	5.41	-54.23
CC(C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCSCC1	REAL300030692084	1	50	0.0	-59.64	380.36	5.41	-54.23
CCC1CN(CC(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030692087	0	49	0.0	-59.86	376.43	5.29	-54.57
CCC1C[NH+](CC(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030692087	1	49	0.0	-59.86	376.43	5.29	-54.57
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1C[NH+](C3CCOCC3)C1)C2	REAL300030692089	0	54	0.0	-68.14	407.13	4.45	-63.69
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1([NH+]3CCCC3)CCC1)C2	REAL300030692091	0	53	0.0	-66.23	372.10	5.68	-60.55
C[N@@H+]1CCC[C@H]1C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030692102	0	46	0.0	-64.39	342.28	3.97	-60.42
O=C(CC[N@H+]1CCC(F)C1)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030692112	0	49	0.0	-64.92	377.76	5.21	-59.71
COC1C[N@H+](C)C(C)(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030692121	0	53	0.0	-63.38	378.90	2.99	-60.39
O=C(CC[NH+]1CCCCCC1)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030692134	0	55	0.0	-61.90	398.29	6.49	-55.41
CC1C(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030692147	0	49	0.0	-55.12	349.87	4.41	-50.71
CC1C(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030692147	1	49	0.0	-55.12	349.87	4.41	-50.71
C[N@@H+]1CCCCC1CCC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030692150	0	55	0.0	-64.43	405.11	6.40	-58.03
C[N@H+]1CCCCC1CCC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030692150	1	55	0.0	-64.43	405.11	6.40	-58.03
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1CC[N@@H+]3CCOCC13)C2	REAL300030692188	0	51	0.0	-68.40	379.75	3.60	-64.80
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1CC[N@H+]3CCOCC13)C2	REAL300030692188	1	51	0.0	-68.40	379.75	3.60	-64.80
CN1CCOCC1CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030692219	0	50	0.0	-63.78	366.84	3.15	-60.63
C[N@@H+]1CCOCC1CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030692219	1	50	0.0	-63.72	367.13	3.13	-60.59
C[N@H+]1CCOCC1CC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030692219	1	50	0.0	-63.72	367.13	3.13	-60.59
CC1=C(C)NC(CCC(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300030692231	0	50	0.0	-56.43	394.23	4.77	-51.66
CC1=C(C)[NH+]=C(CCC(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300030692231	1	50	0.0	-56.43	394.23	4.77	-51.66
C[NH+](C)CCC1=CC=CC(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030692243	0	55	0.0	-65.05	422.04	7.38	-57.67
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1CCN1CC1=CC=CC=C1)C2	REAL300030692247	0	53	0.0	-59.01	407.46	7.13	-51.88
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1CC[N@@H+]1CC1=CC=CC=C1)C2	REAL300030692247	1	53	0.0	-62.50	414.04	7.36	-55.14
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1CC[N@H+]1CC1=CC=CC=C1)C2	REAL300030692247	1	53	0.0	-62.50	414.04	7.36	-55.14
CC(C)C[N@@H+]1CCCC(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030692251	0	58	0.0	-63.23	415.78	7.11	-56.12
CC(C)C[N@H+]1CCCC(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030692251	1	58	0.0	-63.23	415.78	7.11	-56.12
C[N@@H+]1CCCC1C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030692419	0	46	0.0	-57.71	346.29	4.23	-53.48
CC1=NC=CN1CCCC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030692615	0	50	0.0	-63.35	394.95	6.37	-56.98
CC1=[NH+]C=CN1CCCC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030692615	1	50	0.0	-63.35	394.95	6.37	-56.98
O=C(CCCCN1CCOCC1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030692619	0	56	0.0	-71.46	422.19	4.96	-66.50
O=C(CCCC[NH+]1CCOCC1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030692619	1	56	0.0	-71.46	422.19	4.96	-66.50
C[NH+](C)CC1=CC=C(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C=C1	REAL300030692623	0	52	0.0	-73.50	395.88	6.44	-67.06
O=C(CCN1CCOCC1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030692624	0	50	0.0	-66.29	379.19	3.36	-62.93
O=C(CC[NH+]1CCOCC1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030692624	1	50	0.0	-66.29	379.19	3.36	-62.93
CCC[NH+](CCC)CCCC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030692644	0	60	0.0	-66.18	446.78	7.71	-58.47
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CC3=CN=CN3C=C1)C2	REAL300030692672	0	44	0.0	-63.80	358.10	6.73	-57.07
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CC3=C[NH+]=CN3C=C1)C2	REAL300030692672	1	44	0.0	-63.80	358.10	6.73	-57.07
C[NH+](C)C1CCCC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030692742	0	55	0.0	-54.01	392.56	5.96	-48.05
C[N@@H+]1CCC(CC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030692749	0	49	0.0	-67.23	370.20	5.08	-62.15
C[N@H+]1CCC(CC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030692749	1	49	0.0	-67.23	370.20	5.08	-62.15
CCC(C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030692766	0	48	0.0	-61.07	351.19	4.34	-56.73
O=C(C1=NN(C2=CC=NC=C2)C=C1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030692776	0	47	0.0	-74.26	380.19	4.93	-69.33
O=C(C1=NN(C2=CC=[NH+]C=C2)C=C1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030692776	1	47	0.0	-74.26	380.19	4.93	-69.33
CC1CC2CCC(C(=O)N3CC4CC3CN(C(=O)C3=CC(=O)[N-]O3)C4)C[N@@H+]2C1	REAL300030692821	0	56	0.0	-63.02	409.40	6.49	-56.53
CC1CC2CCC(C(=O)N3CC4CC3CN(C(=O)C3=CC(=O)[N-]O3)C4)C[N@H+]2C1	REAL300030692821	1	56	0.0	-63.02	409.40	6.49	-56.53
C[NH+](C)CCCCC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030692854	0	51	0.0	-70.07	389.28	5.50	-64.57
CCC[N@H+](C)CCC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030692875	0	51	0.0	-63.22	385.62	5.35	-57.87
CCC[N@@H+](C)CCC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030692875	1	51	0.0	-62.94	385.58	5.42	-57.52
CCC[N@H+](C)CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030692880	0	48	0.0	-58.46	362.86	4.74	-53.72
CCC[N@@H+](C)CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030692880	1	48	0.0	-58.97	362.86	4.75	-54.22
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C13CC[N@H+](C1)CCC3)C2	REAL300030692904	0	50	0.0	-62.12	356.12	4.17	-57.95
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C13CC[N@@H+](C1)CCC3)C2	REAL300030692904	1	50	0.0	-59.62	355.17	4.01	-55.61
CCCCCC[N@H+](C)CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030692946	0	57	0.0	-59.19	427.51	7.16	-52.03
CCCCCC[N@@H+](C)CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030692946	1	57	0.0	-59.90	427.36	7.10	-52.80
CC1CC[NH+](CC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030692995	0	52	0.0	-59.33	386.61	5.85	-53.48
O=C(C1=CN(C2=CC=[NH+]C=C2)N=C1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030693021	1	47	0.0	-75.66	377.12	4.48	-71.18
C[NH+]1CCC(OCC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030693029	0	53	0.0	-71.10	403.98	5.54	-65.56
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1CC3CCCC[N@@H+]3C1)C2	REAL300030693089	0	53	0.0	-65.41	387.00	5.88	-59.53
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1CC3CCCC[N@H+]3C1)C2	REAL300030693089	1	53	0.0	-57.55	387.16	6.05	-51.50
C[NH+](C)CC1(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030693103	0	49	0.0	-49.61	373.92	5.09	-44.52
CC1=[NH+]C=C2CCC(C(=O)N3CC4CC3CN(C(=O)C3=CC(=O)[N-]O3)C4)CN21	REAL300030693104	1	51	0.0	-53.77	390.49	6.00	-47.77
CC(C)[NH+]1CCC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030693114	0	55	0.0	-63.63	395.71	5.88	-57.75
CC[N@H+](C)CCC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030693149	0	48	0.0	-62.73	364.13	4.61	-58.12
CC[N@@H+](C)CCC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030693149	1	48	0.0	-62.30	364.09	4.62	-57.68
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1C[NH+]3CCC1CC3)C2	REAL300030693196	0	50	0.0	-73.61	360.66	4.98	-68.63
C[NH+]1CCC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030693285	0	49	0.0	-71.46	368.25	4.98	-66.48
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1CC[NH+](CC3CC3)CC1)C2	REAL300030693378	0	56	0.0	-72.24	415.47	7.13	-65.11
CC[NH+](CC)CC(F)C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030693422	0	51	0.0	-66.22	381.17	4.90	-61.32
CC(C)C[N@@H+]1CCC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030693457	0	55	0.0	-62.64	403.95	6.17	-56.47
CC(C)C[N@H+]1CCC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030693457	1	55	0.0	-63.73	403.84	6.23	-57.50
CCC(C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](CC)CC	REAL300030693487	0	54	0.0	-52.49	386.38	5.58	-46.91
CC1CCC[N@@H+]1CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030693512	0	49	0.0	-55.40	369.49	5.02	-50.38
CC1CCC[N@H+]1CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030693512	1	49	0.0	-57.37	369.30	5.15	-52.22
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030693600	1	53	0.0	-58.22	409.44	6.55	-51.67
CC(C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCCCC1	REAL300030693604	0	55	0.0	-57.97	388.62	5.83	-52.14
CC(C)[N@@H+]1CCCC1C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030693637	0	52	0.0	-57.45	378.63	5.41	-52.04
CC(C)[N@H+]1CCCC1C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030693637	1	52	0.0	-57.46	379.12	5.39	-52.07
CC(C)[N@@H+]1CCCC1CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030693647	0	55	0.0	-50.03	392.62	5.97	-44.06
CC(C)[N@H+]1CCCC1CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030693647	1	55	0.0	-60.17	403.34	6.13	-54.04
CC1CC[N@H+](CC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030693701	0	49	0.0	-59.53	369.39	5.19	-54.34
CC1CC[N@@H+](CC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030693701	1	49	0.0	-58.11	369.37	5.21	-52.90
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030693702	0	55	0.0	-55.80	401.55	5.60	-50.20
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030693702	1	55	0.0	-52.96	400.26	5.45	-47.51
CC1=[NH+]C=C2CC(C(=O)N3CC4CC3CN(C(=O)C3=CC(=O)[N-]O3)C4)CCN21	REAL300030693703	1	51	0.0	-63.69	388.56	5.77	-57.92
C[NH+](C)CCC1=CC=C(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C=C1	REAL300030693705	0	55	0.0	-78.07	418.75	7.31	-70.76
CC1(C)CC[N@H+](CC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030693707	0	52	0.0	-59.32	389.06	5.72	-53.60
CC1(C)CC[N@@H+](CC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030693707	1	52	0.0	-58.19	389.32	5.73	-52.46
C[N@H+](CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300030693708	0	54	0.0	-59.97	391.79	5.89	-54.08
C[N@@H+](CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300030693708	1	54	0.0	-57.59	394.17	6.08	-51.51
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030693709	0	55	0.0	-61.77	422.92	7.82	-53.95
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030693709	1	55	0.0	-61.02	422.77	7.77	-53.25
CC[C@@H](C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030693718	0	48	0.0	-51.85	351.38	4.30	-47.55
CC(COCC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCCC1	REAL300030693725	0	56	0.0	-60.72	422.61	6.20	-54.52
CN(CCC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=[NH+]C=C1	REAL300030693881	0	51	0.0	-66.72	398.76	5.06	-61.66
CC1=[NH+]C=CN1CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030693993	1	44	0.0	-59.15	352.19	4.98	-54.17
CC(C[NH+]1CCOCC1)C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030693995	1	53	0.0	-62.99	391.79	3.79	-59.20
O=C(CCC[NH+]1CCCCC1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030694013	0	55	0.0	-64.05	409.07	6.60	-57.45
C[NH+](C)CC1=CC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=NO1	REAL300030694030	1	48	0.0	-76.08	379.69	4.51	-71.57
CC1=C(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C=CC2=C[NH+]=CN21	REAL300030694032	0	47	0.0	-74.18	376.07	7.33	-66.85
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030694083	1	50	0.0	-56.71	389.80	6.20	-50.51
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1CCCC3CCC[N@@H+]31)C2	REAL300030694130	0	53	0.0	-59.09	375.34	5.38	-53.71
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1CCCC3CCC[N@H+]31)C2	REAL300030694130	1	53	0.0	-57.89	387.85	5.99	-51.90
CC[N@@H+]1CCOC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030694162	1	50	0.0	-59.62	373.90	4.28	-55.34
CC[N@H+]1CCOC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030694162	1	50	0.0	-75.94	366.51	4.04	-71.90
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CN3C=[NH+]C=C3C=C1)C2	REAL300030694230	0	44	0.0	-57.16	358.39	6.88	-50.28
CC1=C[NH+]=CN1CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030694235	1	44	0.0	-64.44	353.40	5.67	-58.77
C[NH+](C)CCN1C=C(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C=N1	REAL300030694241	0	52	0.0	-74.13	402.13	4.53	-69.60
C[NH+](C)CCN1C=CC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300030694254	0	52	0.0	-71.43	405.54	5.12	-66.31
C[C@@H]1[C@H](C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030694261	0	49	0.0	-59.13	355.61	4.38	-54.75
C[C@@H]1[C@H](C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030694261	1	49	0.0	-65.76	364.02	4.89	-60.87
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030694263	1	53	0.0	-58.39	409.97	6.61	-51.78
CC[C@@H]1[C@@H](C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030694266	0	52	0.0	-59.20	375.91	4.80	-54.40
CC[C@@H]1[C@@H](C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030694266	1	52	0.0	-64.83	379.69	5.31	-59.52
CC1CCC(C)[NH+]1CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030694285	0	52	0.0	-54.65	381.15	5.11	-49.54
O=C(CCC[NH+]1CCCC1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030694292	0	52	0.0	-64.40	393.12	5.88	-58.52
C[NH+](C)CC1=CC=CC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030694293	0	52	0.0	-68.91	399.35	6.58	-62.33
C#CC[NH+]1CCC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030694299	0	51	0.0	-64.79	390.36	6.19	-58.60
O=C(CC[NH+]1CCCCC1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030694300	0	52	0.0	-61.45	388.03	5.83	-55.62
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030694319	1	51	0.0	-67.23	395.22	7.40	-59.83
C[NH+](C)CC1(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CCCCC1	REAL300030694354	0	58	0.0	-83.16	390.77	6.23	-76.93
C[N@H+](CCC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCCC1	REAL300030694358	0	58	0.0	-63.21	422.41	7.02	-56.19
C[N@@H+](CCC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCCCC1	REAL300030694358	1	58	0.0	-61.79	422.44	7.00	-54.79
C[NH+](C)C1(CC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300030694361	0	55	0.0	-63.44	387.68	5.91	-57.53
C[N@H+](CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300030694580	0	49	0.0	-55.70	369.73	5.32	-50.38
C[N@@H+](CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300030694580	1	49	0.0	-58.45	369.87	5.33	-53.12
CC(C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1C(C)CCC1C	REAL300030694609	0	55	0.0	-53.92	390.63	5.41	-48.51
O=C(CCCC[NH+]1CCCC1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030694629	0	55	0.0	-66.07	415.36	6.72	-59.35
C[N@H+](CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300030694632	1	52	0.0	-61.01	400.45	7.00	-54.01
C[N@@H+](CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)CC1=CC=CC=C1	REAL300030694632	1	52	0.0	-60.30	400.45	6.99	-53.31
C[NH+]1CCC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030694648	0	49	0.0	-71.46	368.25	4.98	-66.48
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030694703	0	46	0.0	-62.95	342.44	3.80	-59.15
C[N@H+]1CCC[C@@H]1C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030694703	1	46	0.0	-59.11	345.59	4.23	-54.88
C[N@@H+]1CCCC1CCC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030694734	0	52	0.0	-65.56	391.13	5.84	-59.72
C[N@H+]1CCCC1CCC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030694734	1	52	0.0	-65.40	385.54	5.51	-59.89
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1CCC3CCCC[N@@H+]31)C2	REAL300030694750	0	53	0.0	-52.86	383.53	5.86	-47.00
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1CCC3CCCC[N@H+]31)C2	REAL300030694750	1	53	0.0	-52.10	383.34	5.80	-46.30
CCC[N@@H+]1CCCC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030694835	0	55	0.0	-56.77	396.69	6.31	-50.46
CCC[N@H+]1CCCC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030694835	1	55	0.0	-66.36	406.98	6.24	-60.12
CC(C)[N@@H+]1CCOC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030694852	1	53	0.0	-77.08	383.67	4.71	-72.37
CC(C)[N@H+]1CCOC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030694852	1	53	0.0	-68.41	390.73	4.64	-63.77
O=C(C[NH+]1CCC(CO)CC1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030694931	0	53	0.0	-63.06	397.44	2.54	-60.52
C[NH+]1C2CCC1CC(=CC(=O)N1CC3CC1CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030694972	0	54	0.0	-67.52	396.40	6.40	-61.12
CC1C(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030694991	0	49	0.0	-56.75	365.03	4.78	-51.97
CC1C(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030694991	1	49	0.0	-57.12	355.25	4.17	-52.95
C[N@@H+]1CCCCC1CCC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030694995	0	55	0.0	-61.87	405.13	6.42	-55.45
C[N@H+]1CCCCC1CCC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030694995	1	55	0.0	-67.02	397.77	6.23	-60.79
NC1=[NH+]C2=C(C=C1C(=O)N1CC3CC1CN(C(=O)C1=CC(=O)[N-]O1)C3)CCC2	REAL300030695031	1	49	0.0	-55.80	376.88	4.07	-51.73
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030695104	0	52	0.0	-58.78	385.20	5.15	-53.63
CC(C)(C)[N@H+]1CCC1C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030695104	1	52	0.0	-52.43	362.46	4.45	-47.98
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1CCN(C3=CC=[NH+]C=C3)C1)C2	REAL300030695122	0	52	0.0	-62.98	396.96	3.74	-59.24
C[C@@H](C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030695127	0	45	0.0	-63.19	340.39	3.78	-59.41
C[NH+](C)CC1=CC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC=N1	REAL300030695148	1	51	0.0	-69.48	391.76	4.88	-64.60
C=CCC(C)(C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030695154	0	52	0.0	-63.42	365.28	5.07	-58.35
CC[NH+](CC)CCSCC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030695188	0	55	0.0	-72.43	421.99	6.53	-65.90
NC1=C(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C=[NH+]C2=CC=CC=C21	REAL300030695189	1	48	0.0	-51.36	374.48	3.49	-47.87
O=C(CC[NH+]1CCCC1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030695194	0	49	0.0	-61.82	370.76	5.02	-56.80
C[N@H+](CCO)CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030695203	1	46	0.0	-57.49	351.87	0.83	-56.66
C[N@@H+](CCO)CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030695203	1	46	0.0	-59.36	351.85	0.85	-58.51
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1C[N@@H+]3CCN1CCC3)C2	REAL300030695241	0	52	0.0	-55.80	370.55	2.70	-53.10
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1C[N@H+]3CCN1CCC3)C2	REAL300030695241	1	52	0.0	-82.37	366.05	2.40	-79.97
CC(C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCSCC1	REAL300030695271	1	50	0.0	-62.02	380.50	5.34	-56.68
C[N@H+]1CC=C(CC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030695317	0	50	0.0	-65.63	383.00	5.82	-59.81
C[N@@H+]1CC=C(CC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030695317	1	50	0.0	-63.72	382.99	5.81	-57.91
C[S+](C)CCC(O)C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030695334	0	48	0.0	-54.72	384.54	2.82	-51.90
CN1CC[N@H+](C)CC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030695376	0	54	0.0	-62.63	390.34	3.24	-59.39
CN1CC[N@@H+](C)CC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030695376	1	54	0.0	-73.01	393.45	3.09	-69.92
CC(C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[N@@H+]1CCCC(O)C1	REAL300030695377	0	53	0.0	-52.59	389.82	2.22	-50.37
CC(C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[N@H+]1CCCC(O)C1	REAL300030695377	1	53	0.0	-58.42	393.38	2.28	-56.14
C[N@@H+]1CCCC(O)(CC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030695418	0	53	0.0	-56.26	384.86	3.57	-52.69
C[N@H+]1CCCC(O)(CC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030695418	1	53	0.0	-64.20	381.53	3.78	-60.42
CC1C[NH+](CC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030695424	1	46	0.0	-59.64	355.07	4.57	-55.07
CC[N@@H+]1CCCC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030695430	0	52	0.0	-62.74	382.49	5.54	-57.20
CC[N@H+]1CCCC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030695430	1	52	0.0	-65.97	385.47	5.48	-60.49
NC1=[NH+]C=CC=C1CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030695443	0	45	0.0	-52.11	357.88	3.16	-48.95
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1CCC[N@@H+]1C1CC1)C2	REAL300030695456	0	50	0.0	-55.84	377.19	5.77	-50.07
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1CCC[N@H+]1C1CC1)C2	REAL300030695456	1	50	0.0	-56.46	372.15	5.65	-50.81
O=C(C=CC[NH+]1CCCC1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030695510	0	50	0.0	-67.27	384.58	5.70	-61.57
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1CC[NH+](C3CC3)CC1)C2	REAL300030695538	0	53	0.0	-68.54	395.59	6.34	-62.20
CC[N@H+](C)CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030695584	0	45	0.0	-57.84	341.52	4.08	-53.76
O=C(CN1CC2C=CC1C2)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030695653	0	48	0.0	-60.46	363.19	5.33	-55.13
O=C(C[N@@H+]1CC2C=CC1C2)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030695653	1	48	0.0	-57.25	362.91	5.44	-51.81
O=C(C[N@H+]1CC2C=CC1C2)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030695653	1	48	0.0	-57.25	362.91	5.44	-51.81
CC1=CC=C(NCCC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)N=C1	REAL300030695676	0	51	0.0	-60.44	402.89	4.80	-55.64
CC1=CC=C(NCCC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)[NH+]=C1	REAL300030695676	1	51	0.0	-60.44	402.89	4.80	-55.64
CC(OCC[NH+](C)C)C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030695820	0	52	0.0	-64.91	394.93	5.01	-59.90
C[NH+](C)CCOCCC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030695833	0	52	0.0	-71.28	400.66	4.18	-67.10
COCCN(C)CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030695835	0	49	0.0	-60.15	374.10	3.26	-56.89
COCC[N@H+](C)CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030695835	1	49	0.0	-62.85	373.97	3.17	-59.68
COCC[N@@H+](C)CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030695835	1	49	0.0	-62.85	373.97	3.17	-59.68
CC(CCC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030695842	0	51	0.0	-64.24	381.55	5.23	-59.01
C[NH+]1CCC(=CC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030695869	0	50	0.0	-65.23	376.61	5.72	-59.51
CC[N@H+](CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030695881	0	49	0.0	-55.80	373.15	5.41	-50.39
CC[N@@H+](CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030695881	1	49	0.0	-57.39	369.90	5.28	-52.11
CC1C[N@@H+]2CCN1C(C(=O)N1CC3CC1CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030695892	0	52	0.0	-55.72	372.49	2.16	-53.56
CC1C[N@H+]2CCN1C(C(=O)N1CC3CC1CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030695892	1	52	0.0	-65.47	364.01	4.11	-61.36
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030695936	1	49	0.0	-64.30	388.25	4.02	-60.28
O=C(C[N@@H+]1CC2CCC1C2)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030695944	0	50	0.0	-54.72	367.63	5.21	-49.51
O=C(C[N@H+]1CC2CCC1C2)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030695944	1	50	0.0	-55.73	368.07	5.38	-50.35
CC(C)[NH+]1CCC(CC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030695960	0	58	0.0	-64.46	421.57	6.97	-57.49
CC(C[NH+](C)C)C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030695974	0	48	0.0	-66.28	359.27	4.40	-61.88
C[C@H](C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030696016	0	45	0.0	-59.36	338.31	3.63	-55.73
CC[N@@H+]1CCC1C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696029	1	46	0.0	-62.47	355.49	4.41	-58.06
CC[N@H+]1CCC1C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696029	1	46	0.0	-59.00	355.39	4.47	-54.53
CC(C)[N@@H+]1CCCC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030696044	0	55	0.0	-65.92	393.31	6.04	-59.88
CC(C)[N@H+]1CCCC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030696044	1	55	0.0	-58.08	391.78	6.08	-52.00
CCC(C)(C)[NH2+]C(C)C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696065	0	54	0.0	-59.12	388.43	3.88	-55.24
C#CC[N@H+]1CCCCC1C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696117	1	51	0.0	-52.15	389.65	6.06	-46.09
C#CC[N@@H+]1CCCCC1C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696117	1	51	0.0	-61.12	388.75	6.15	-54.97
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696120	1	48	0.0	-57.54	372.50	4.04	-53.50
NC1=CC=[NH+]C=C1C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696121	0	42	0.0	-53.57	331.55	1.30	-52.27
C[NH+](C)C(CC1=CC=CC=C1)C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696127	0	55	0.0	-57.27	407.83	7.04	-50.23
CCCC(C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030696134	0	51	0.0	-63.70	375.02	5.17	-58.53
CC(CC[NH+](C)C)C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696163	0	51	0.0	-68.62	380.94	5.03	-63.59
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)[C@@H]1CCC[N@@H+]3CCCC[C@H]13)C2	REAL300030696222	0	56	0.0	-61.55	389.53	6.01	-55.54
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)[C@@H]1CCC[N@H+]3CCCC[C@H]13)C2	REAL300030696222	1	56	0.0	-56.71	397.90	6.67	-50.04
COCCCC[N@H+](C)CCC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696301	0	58	0.0	-65.87	440.74	5.28	-60.59
COCCCC[N@@H+](C)CCC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696301	1	58	0.0	-66.13	440.80	5.21	-60.92
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696311	0	52	0.0	-60.73	385.13	5.42	-55.31
C[N@H+]1CC(C)(C)CC1C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696311	1	52	0.0	-61.71	385.13	5.36	-56.35
C[NH+](C)CCCCCC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696317	0	54	0.0	-71.46	410.78	6.28	-65.18
O=C(CC[NH+]1CCC(O)CC1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696323	0	53	0.0	-65.07	398.67	2.45	-62.62
CCC[N@@H+]1CCCCC1C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696328	0	55	0.0	-55.55	391.36	5.80	-49.75
CCC[N@H+]1CCCCC1C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696328	1	55	0.0	-54.08	403.61	6.37	-47.71
CC[NH+]1CCN(CCC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030696338	0	57	0.0	-69.13	422.24	4.01	-65.12
CCN1CC[NH+](CCC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030696338	1	57	0.0	-62.28	422.13	4.01	-58.27
C[NH+]1CCN(CC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030696342	1	51	0.0	-67.51	382.50	2.83	-64.68
CC(C)C[NH+]1CCC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030696470	0	58	0.0	-67.03	421.05	6.94	-60.09
CC1C[N@H+](C)CC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030696473	1	50	0.0	-76.50	377.53	4.27	-72.23
CC1C[N@@H+](C)CC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030696473	1	50	0.0	-61.69	376.99	4.34	-57.35
CCC1CCC[N@H+](CC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030696511	0	55	0.0	-61.74	397.55	6.18	-55.56
CCC1CCC[N@@H+](CC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030696511	1	55	0.0	-59.13	398.14	6.44	-52.69
C[NH+](C)CC1=CC=C(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300030696521	0	50	0.0	-72.98	384.61	4.90	-68.08
O=C(C[NH+]1CC2CC2C1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696543	0	47	0.0	-58.54	358.97	5.22	-53.32
O=C(CC1([NH+]2CCCC2)CC1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696563	0	53	0.0	-62.00	388.93	6.23	-55.77
CC([NH2+]C1(CO)CCCC1)C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696582	0	56	0.0	-59.36	394.53	0.97	-58.39
C[N@@H+]1CCCCC1C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696613	0	49	0.0	-56.48	352.31	4.33	-52.15
C[N@H+]1CCCCC1C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696613	1	49	0.0	-60.26	363.58	4.88	-55.38
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1CC[N@@H+]1CC1=CC=CC=C1)C2	REAL300030696619	1	53	0.0	-61.93	415.32	7.45	-54.48
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1CC[N@H+]1CC1=CC=CC=C1)C2	REAL300030696619	1	53	0.0	-60.97	414.88	7.30	-53.67
CC(C)C[N@@H+]1CCCC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030696626	0	58	0.0	-58.25	411.77	7.11	-51.14
CC(C)C[N@H+]1CCCC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030696626	1	58	0.0	-65.36	424.66	6.90	-58.46
C[NH+](C)C1CCN(CC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030696684	0	57	0.0	-69.18	416.82	4.04	-65.14
C[N@@H+]1CCC(=CC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030696750	0	47	0.0	-68.08	361.55	4.84	-63.24
C[N@H+]1CCC(=CC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030696750	1	47	0.0	-67.51	360.96	4.95	-62.56
O=C(CNC1=CC=[NH+]C=C1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696758	0	45	0.0	-62.41	359.27	2.59	-59.82
CC[NH+]1CCN(CC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030696821	0	54	0.0	-66.41	400.58	3.65	-62.76
O=C(C=C1C[NH+]2CCC1CC2)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696822	0	51	0.0	-63.66	379.41	5.78	-57.88
C[N@H+](CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300030696883	0	53	0.0	-57.96	394.77	2.69	-55.27
C[N@@H+](CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[C@@H]1CCC[C@H]1O	REAL300030696883	1	53	0.0	-57.27	394.10	2.73	-54.54
O=C(C1C[NH+](C2CCOCC2)C1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696892	0	54	0.0	-60.88	407.38	4.37	-56.51
C[N@@H+]1CCC[C@H]1C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696908	0	46	0.0	-58.95	345.02	4.17	-54.78
C[N@H+]1CCC[C@H]1C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696908	1	46	0.0	-52.03	342.21	3.81	-48.22
CCN1CCOCC1CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696946	0	53	0.0	-66.82	387.78	3.80	-63.02
CC[N@@H+]1CCOCC1CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696946	1	53	0.0	-63.69	391.18	3.86	-59.83
CC[N@H+]1CCOCC1CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696946	1	53	0.0	-63.69	391.18	3.86	-59.83
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CC(=O)NC3=C1CCC[NH2+]3)C2	REAL300030696953	0	50	0.0	-95.38	389.55	2.85	-92.53
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1C[NH+](C3CCCCC3)C1)C2	REAL300030696973	0	56	0.0	-59.43	416.17	6.75	-52.68
NC1=NC2=CC(C(=O)N3CC4CC3CN(C(=O)C3=CC(=O)[N-]O3)C4)=CC=C2N1	REAL300030697051	0	46	0.0	-60.93	361.50	4.08	-56.85
NC1=[NH+]C2=CC(C(=O)N3CC4CC3CN(C(=O)C3=CC(=O)[N-]O3)C4)=CC=C2N1	REAL300030697051	1	46	0.0	-60.93	361.50	4.08	-56.85
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030697098	0	49	0.0	-69.19	373.29	5.20	-63.99
CC1CCCC(C)[NH+]1CCC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697110	0	58	0.0	-58.64	417.47	6.49	-52.15
C[NH+](C)C1CCC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030697113	0	55	0.0	-51.88	390.34	5.97	-45.91
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030697117	0	55	0.0	-62.36	392.75	5.97	-56.39
C[N@@H+]1CC=CCC1CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697118	0	50	0.0	-63.80	374.38	5.43	-58.37
C[N@H+]1CC=CCC1CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697118	1	50	0.0	-60.63	374.79	5.41	-55.22
CC1=CC(C=CC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=C[NH+]=C1N	REAL300030697182	1	49	0.0	-64.39	388.46	4.32	-60.07
C[NH+](C)CCOCC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697198	0	49	0.0	-60.89	379.79	4.45	-56.44
CCCCC[N@H+](C)CCC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697205	0	57	0.0	-63.24	428.57	6.99	-56.25
CCCCC[N@@H+](C)CCC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697205	1	57	0.0	-63.54	428.62	6.92	-56.62
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030697218	0	53	0.0	-66.59	398.60	5.20	-61.39
[NH2+]=C1SC=CN1CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697244	0	42	0.0	-53.27	351.11	3.65	-49.62
C[C@@H](OCC[NH+](C)C)C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697327	0	52	0.0	-66.91	394.67	4.94	-61.97
O=C(CC[NH+]1CCCCCC1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697392	0	55	0.0	-64.09	398.05	6.03	-58.06
O=C(C[NH+]1CCCCC1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697397	0	49	0.0	-57.44	365.51	5.26	-52.18
C[N@@H+]1CCCC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030697399	0	49	0.0	-69.06	359.52	4.87	-64.19
C[N@H+]1CCCC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030697399	1	49	0.0	-55.56	356.25	5.07	-50.49
O=C(C[NH+]1CCC(CO)CC1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697401	0	53	0.0	-63.06	397.44	2.54	-60.52
O=C(C[NH+]1CCCCCC1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697407	0	52	0.0	-56.15	374.60	5.39	-50.76
CN1C=C[N+](CC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030697414	0	44	0.0	-57.35	355.26	6.90	-50.45
C[NH+](C)CC1=CC=C(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030697434	1	49	0.0	-82.44	384.38	5.17	-77.27
C[NH+](C)CC1=CC=C(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C=N1	REAL300030697442	0	51	0.0	-71.78	391.36	4.54	-67.24
O=C(C[NH+]1CCC(O)CC1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697457	1	50	0.0	-62.66	376.83	1.89	-60.77
C[N@H+](CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030697464	0	46	0.0	-56.86	353.29	4.79	-52.07
C[N@@H+](CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030697464	1	46	0.0	-58.16	353.43	4.80	-53.36
CC(C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)N1CC[NH+](C)CC1	REAL300030697466	1	54	0.0	-72.77	398.77	3.32	-69.45
O=C(CC[N@H+]1CCC(F)C1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697472	0	49	0.0	-67.59	378.17	5.30	-62.29
O=C(CC[N@@H+]1CCC(F)C1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697472	1	49	0.0	-64.85	378.28	5.15	-59.70
C[NH+](C)CCC1=CC=CC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030697503	0	55	0.0	-72.53	421.88	7.42	-65.11
CC(CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300030697509	0	51	0.0	-68.78	381.10	5.36	-63.42
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1CC[N@@H+]3CCOCC13)C2	REAL300030697530	0	51	0.0	-73.78	378.64	3.59	-70.19
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1CC[N@H+]3CCOCC13)C2	REAL300030697530	1	51	0.0	-59.30	376.04	3.67	-55.63
CC1=[NH+]C=C2C=CC(C(=O)N3CC4CC3CN(C(=O)C3=CC(=O)[N-]O3)C4)=CN21	REAL300030697538	0	47	0.0	-68.95	379.67	6.61	-62.34
C[N@@H+]1CCOCC1CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697561	1	50	0.0	-68.05	373.82	3.19	-64.86
C[N@H+]1CCOCC1CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697561	1	50	0.0	-62.26	366.76	3.02	-59.24
C[NH+](C)CC(C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300030697569	0	55	0.0	-53.79	420.27	7.17	-46.62
CC[NH+]1CCN(CC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030697574	0	54	0.0	-66.41	400.58	3.65	-62.76
CC1=CC(N)=[NH+]C=C1C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697632	1	45	0.0	-57.76	352.50	2.69	-55.07
NC1=CC=C(CCC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C=[NH+]1	REAL300030697635	0	48	0.0	-60.84	383.01	3.91	-56.93
CC1(O)CC[N@H+](CC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030697691	0	50	0.0	-58.16	379.84	1.89	-56.27
CC1(O)CC[N@@H+](CC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030697691	1	50	0.0	-58.01	379.78	1.88	-56.13
C[NH+](C)CCN1N=CC=C1C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697701	0	52	0.0	-64.33	397.48	4.59	-59.74
C[NH+]1CC(CC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030697735	0	46	0.0	-67.56	355.36	4.17	-63.39
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1CC[N@@H+]1C1CCCC1)C2	REAL300030697741	0	53	0.0	-64.55	383.50	5.84	-58.71
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1CC[N@H+]1C1CCCC1)C2	REAL300030697741	1	53	0.0	-57.77	394.19	6.07	-51.70
C[NH+](C)CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697751	0	42	0.0	-59.42	323.92	3.33	-56.09
C[N@H+](CCO)CCC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697794	0	49	0.0	-61.46	374.48	1.39	-60.07
C[N@@H+](CCO)CCC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697794	1	49	0.0	-60.95	374.33	1.45	-59.50
C[C@@H](C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030697795	0	45	0.0	-63.19	340.39	3.78	-59.41
C[N@@H+]1CCCCC1CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697817	0	52	0.0	-63.47	382.26	5.56	-57.91
C[N@H+]1CCCCC1CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697817	1	52	0.0	-50.83	375.84	5.57	-45.26
CC1=C2C=C(C(=O)N3CC4CC3CN(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300030697844	1	47	0.0	-63.33	380.01	7.30	-56.03
CC(C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CC(C)C1	REAL300030697845	0	49	0.0	-64.61	366.32	4.68	-59.93
CC1CC[N@@H+]1CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697850	1	46	0.0	-57.72	349.61	4.29	-53.43
CC1CC[N@H+]1CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697850	1	46	0.0	-59.34	355.35	4.60	-54.74
C[NH+](C)CC=CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697866	0	46	0.0	-69.40	360.52	4.60	-64.80
CC1(C)C[NH+](CC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030697881	1	49	0.0	-58.60	374.24	5.05	-53.55
O=C(CCCC[NH+]1CCCCC1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697895	0	58	0.0	-65.91	430.57	7.39	-58.52
CC1=C(C)[NH+]=C(CCC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)N1	REAL300030697908	1	50	0.0	-57.46	394.22	4.75	-52.71
C[NH+]1CCC(C2(C(=O)N3CC4CC3CN(C(=O)C3=CC(=O)[N-]O3)C4)CC2)CC1	REAL300030697919	0	56	0.0	-47.71	406.84	6.42	-41.29
CC1=C2C=C(C(=O)N3CC4CC3CN(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300030697928	1	47	0.0	-63.33	380.01	7.30	-56.03
C[NH+](C)CCSCC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697939	0	49	0.0	-74.34	390.81	5.31	-69.03
CC(C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[N@H+](C)CC1=CC=CC=C1	REAL300030697958	0	55	0.0	-55.40	416.49	7.38	-48.02
CC(C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[N@@H+](C)CC1=CC=CC=C1	REAL300030697958	1	55	0.0	-64.46	417.48	7.38	-57.08
NC1=[NH+]C2=C(C=C1C(=O)N1CC3CC1CN(C(=O)C1=CC(=O)[N-]O1)C3)CCCC2	REAL300030697962	1	52	0.0	-56.11	394.03	4.66	-51.45
O=C(C[N@H+]1CCCC1CO)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697970	0	50	0.0	-58.12	373.33	1.39	-56.73
O=C(C[N@@H+]1CCCC1CO)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697970	1	50	0.0	-58.14	377.01	2.08	-56.06
CC[NH+](CC)CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697973	0	48	0.0	-60.17	355.02	4.55	-55.62
C[N@H+](CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300030697986	0	50	0.0	-63.12	383.37	5.63	-57.49
C[N@@H+](CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1CCSC1	REAL300030697986	1	50	0.0	-64.22	383.02	5.56	-58.66
O=C(C[NH+]1CCC1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697988	1	43	0.0	-60.30	334.14	3.95	-56.35
CC[NH+](CC)CCC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030698036	0	51	0.0	-63.64	377.47	5.12	-58.52
NC(=O)C1CC[NH+](CC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030698058	0	53	0.0	-65.36	401.67	1.91	-63.45
C[NH+](C)CC1=CNC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030698105	0	50	0.0	-69.96	384.44	4.73	-65.23
CC(C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC(O)CC1	REAL300030698126	0	53	0.0	-57.17	384.11	1.77	-55.40
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1CC3COCC[N@@H+]3C1)C2	REAL300030698132	0	51	0.0	-67.00	378.67	3.50	-63.50
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1CC3COCC[N@H+]3C1)C2	REAL300030698132	1	51	0.0	-62.65	378.11	3.49	-59.16
CC(C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300030698150	1	46	0.0	-57.44	348.44	4.30	-53.14
CCC(CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300030698161	0	54	0.0	-71.67	397.32	6.32	-65.35
NC1=CC=C(C=CC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C=[NH+]1	REAL300030698168	0	46	0.0	-65.75	370.66	3.57	-62.18
C[NH+](C)C(CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC=C1	REAL300030698205	0	55	0.0	-49.98	411.54	7.17	-42.81
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030698236	0	49	0.0	-53.64	356.00	4.68	-48.96
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030698236	1	49	0.0	-61.51	364.82	4.96	-56.55
CC1CN2CC[N@@H+]1CC2C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030698250	0	52	0.0	-78.68	372.66	1.93	-76.75
CC1CN2CC[N@H+]1CC2C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030698250	1	52	0.0	-72.10	372.35	2.12	-69.98
C[NH+](C)CC(O)CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030698278	0	49	0.0	-68.45	376.62	2.36	-66.09
C[NH+]1C2CCC1CC(C(=O)N1CC3CC1CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030698281	0	53	0.0	-65.64	357.15	5.10	-60.54
C=CCC(C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030698330	0	49	0.0	-62.11	366.61	4.88	-57.23
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1CC3CCCC[N@@H+]3C1)C2	REAL300030698342	0	53	0.0	-65.41	387.00	5.88	-59.53
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1CC3CCCC[N@H+]3C1)C2	REAL300030698342	1	53	0.0	-57.55	387.16	6.05	-51.50
C[NH+]1CCC(O)(CC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030698360	0	53	0.0	-59.79	391.48	3.91	-55.88
COCC[N@@H+]1CCCC1CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030698375	0	56	0.0	-61.55	420.95	5.20	-56.35
COCC[N@H+]1CCCC1CC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030698375	1	56	0.0	-70.10	414.90	4.83	-65.27
C[NH+]1C2CCC1CC(CC(=O)N1CC3CC1CN(C(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030698384	0	56	0.0	-77.19	389.89	5.94	-71.25
C[NH+](C)CCN1N=CC=C1C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030698426	0	52	0.0	-61.87	400.23	4.62	-57.25
C[NH+]1CCC(C2(C(=O)N3CC4CC(C3)N(C(=O)C3=CC(=O)[N-]O3)C4)CC2)CC1	REAL300030698475	0	56	0.0	-81.18	403.43	6.32	-74.86
CC1=C2C=C(C(=O)N3CC4CC(C3)N(C(=O)C3=CC(=O)[N-]O3)C4)C=CN2C=[NH+]1	REAL300030698487	1	47	0.0	-69.81	380.68	7.39	-62.42
C[NH+](C)CCSCC(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030698499	0	49	0.0	-70.25	390.89	5.46	-64.79
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1CC3COCC[N@@H+]3C1)C2	REAL300030698511	0	51	0.0	-63.88	372.44	3.61	-60.27
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1CC3COCC[N@H+]3C1)C2	REAL300030698511	1	51	0.0	-63.87	372.81	3.59	-60.28
C[N@@H+]1CCCC1C(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030698677	0	53	0.0	-63.88	390.30	1.37	-62.51
C[N@H+]1CCCC1C(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030698677	1	53	0.0	-62.64	391.14	1.58	-61.06
CC1=[NH+]C=CN1CC(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030698838	1	51	0.0	-64.79	394.29	2.12	-62.67
C[C@@H]1[C@H](C(=O)NC2(C3(O)CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC[N@@H+]1C	REAL300030698855	0	56	0.0	-66.17	400.74	1.38	-64.79
C[C@@H]1[C@H](C(=O)NC2(C3(O)CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC[N@H+]1C	REAL300030698855	1	56	0.0	-72.32	404.51	1.45	-70.87
C[N@H+](CC(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CCC1	REAL300030698880	0	56	0.0	-65.77	411.08	2.49	-63.28
C[N@@H+](CC(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CCC1	REAL300030698880	1	56	0.0	-65.85	408.61	2.14	-63.71
C[NH+]1CCC(C(=O)NC2(C3(O)CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030698905	0	56	0.0	-71.49	409.44	2.18	-69.31
CC1=C[NH+]=CN1CC(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030698921	1	51	0.0	-66.47	394.63	2.85	-63.62
C[N@@H+]1CCC(CC(=O)NC2(C3(O)CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030698928	0	56	0.0	-69.91	411.82	2.08	-67.83
C[N@H+]1CCC(CC(=O)NC2(C3(O)CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030698928	1	56	0.0	-67.65	411.53	2.11	-65.54
CCC(C(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030698931	0	55	0.0	-64.14	392.86	1.55	-62.59
C[NH+](C)CCCCC(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030698943	0	58	0.0	-70.26	430.21	2.65	-67.61
CCC[N@H+](C)CCC(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030698948	0	58	0.0	-69.49	426.44	2.47	-67.02
CCC[N@@H+](C)CCC(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030698948	1	58	0.0	-69.65	426.44	2.48	-67.17
CCC[N@H+](C)CC(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030698949	0	55	0.0	-67.59	401.72	1.57	-66.02
CCC[N@@H+](C)CC(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030698949	1	55	0.0	-67.71	404.09	1.92	-65.79
C[N@@H+]1CCC[C@@H]1C(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030698961	0	53	0.0	-63.49	384.57	0.93	-62.56
C[N@H+]1CCC[C@@H]1C(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030698961	1	53	0.0	-64.43	390.79	1.44	-62.99
CC[NH+](CC)CC(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030698969	0	55	0.0	-62.76	395.65	1.46	-61.30
C[NH+](C)CC1(C(=O)NC2(C3(O)CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030699014	0	56	0.0	-68.71	415.45	1.93	-66.78
C[NH+]1CCC(C(=O)NC2(C3(O)CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030699032	0	56	0.0	-71.49	409.44	2.18	-69.31
CC[N@H+](C)CCC(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699065	0	55	0.0	-68.82	404.94	1.72	-67.10
CC[N@@H+](C)CCC(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699065	1	55	0.0	-68.97	404.94	1.73	-67.24
CC1CCC[N@@H+]1CC(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699074	0	56	0.0	-63.92	403.32	1.79	-62.13
CC1CCC[N@H+]1CC(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699074	1	56	0.0	-62.19	403.60	1.88	-60.31
CC1CC[N@H+](CC(=O)NC2(C3(O)CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030699075	0	56	0.0	-66.03	409.83	2.06	-63.97
CC1CC[N@@H+](CC(=O)NC2(C3(O)CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030699075	1	56	0.0	-64.60	410.21	2.26	-62.34
CC[C@@H](C(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030699077	0	55	0.0	-61.96	392.95	1.55	-60.41
C[NH+](C)CC(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699107	0	49	0.0	-68.28	364.85	0.51	-67.77
CN1C=C[N+](CC(=O)NC2(C3(O)CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030699108	0	51	0.0	-65.84	396.10	4.02	-61.82
C[N@@H+]1CCCC(C(=O)NC2(C3(O)CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030699111	0	56	0.0	-67.53	409.21	2.04	-65.49
C[N@H+]1CCCC(C(=O)NC2(C3(O)CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030699111	1	56	0.0	-66.08	409.43	2.12	-63.96
CC(C(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+]1CCC1	REAL300030699117	1	53	0.0	-64.74	390.23	1.20	-63.54
C[N@H+](CC(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030699126	0	53	0.0	-65.02	394.11	1.92	-63.10
C[N@@H+](CC(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030699126	1	53	0.0	-65.28	394.26	1.92	-63.36
C[NH+]1CC(CC(=O)NC2(C3(O)CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030699135	0	53	0.0	-68.32	396.29	1.34	-66.98
C[C@@H](C(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030699148	0	52	0.0	-65.29	382.28	0.91	-64.38
C[N@H+](CCO)CCC(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699183	0	56	0.0	-69.16	415.29	-1.49	-70.65
C[N@@H+](CCO)CCC(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699183	1	56	0.0	-68.14	415.19	-1.48	-69.62
C[C@@H](C(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030699184	0	52	0.0	-65.29	382.28	0.91	-64.38
C[N@@H+]1CCCC[C@@H]1C(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699187	0	56	0.0	-65.17	394.78	1.60	-63.57
C[N@H+]1CCCC[C@@H]1C(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699187	1	56	0.0	-61.45	406.25	2.01	-59.44
C[N@@H+]1CCC(=CC(=O)NC2(C3(O)CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030699219	0	54	0.0	-71.20	403.45	1.95	-69.25
C[N@H+]1CCC(=CC(=O)NC2(C3(O)CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030699219	1	54	0.0	-71.22	402.50	1.98	-69.24
C[NH+](C)CCOCC(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699227	0	56	0.0	-66.86	420.74	1.35	-65.51
C[C@H](C(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030699237	0	52	0.0	-63.73	382.27	0.90	-62.83
CC1C[NH+](CC(=O)NC2(C3(O)CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030699253	1	53	0.0	-65.32	396.13	1.62	-63.70
C[N@H+](CCO)CC(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699265	1	53	0.0	-67.84	392.95	-2.06	-69.90
C[N@@H+](CCO)CC(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699265	1	53	0.0	-65.50	393.04	-2.11	-67.61
CC(CC(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C[NH+](C)C	REAL300030699275	0	58	0.0	-69.82	422.04	2.51	-67.31
CC[N@H+](C)CC(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699277	0	52	0.0	-67.16	380.22	0.83	-66.33
CC[N@@H+](C)CC(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699277	1	52	0.0	-67.33	382.60	1.17	-66.16
CC[N@H+](CC(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030699286	0	56	0.0	-62.01	413.46	2.53	-59.48
CC[N@@H+](CC(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030699286	1	56	0.0	-62.62	410.96	2.44	-60.18
CC[NH+](CC)CCC(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699291	0	58	0.0	-67.77	417.84	2.04	-65.73
C[NH+](C)CC=CC(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699305	0	53	0.0	-71.27	402.06	1.76	-69.51
COCC[N@H+](C)CC(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699312	1	56	0.0	-65.39	415.30	0.29	-65.10
COCC[N@@H+](C)CC(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699312	1	56	0.0	-67.96	415.20	0.34	-67.62
CC(CCC(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030699320	0	58	0.0	-67.89	421.94	2.15	-65.74
CC[N@@H+]1CCC1C(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699325	1	53	0.0	-62.63	389.09	1.05	-61.58
CC[N@H+]1CCC1C(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699325	1	53	0.0	-68.94	386.78	0.77	-68.17
C=CCC(C(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030699347	0	56	0.0	-66.41	412.64	2.10	-64.31
O=C(C[NH+]1CC2CC2C1)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699354	0	54	0.0	-67.42	400.20	2.39	-65.03
CCCC(C(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030699362	0	58	0.0	-67.04	419.43	2.29	-64.75
C[N@@H+]1CCCCC1C(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699372	0	56	0.0	-61.17	406.49	1.98	-59.19
C[N@H+]1CCCCC1C(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699372	1	56	0.0	-62.40	397.28	1.84	-60.56
O=C(CC[NH+]1CCCC1)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699405	0	56	0.0	-68.41	413.18	2.24	-66.17
CC(C[NH+](C)C)C(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699441	0	55	0.0	-66.54	403.26	1.79	-64.75
CC(C(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+]1CC(C)C1	REAL300030699462	1	56	0.0	-64.83	412.82	2.26	-62.57
CC1CC[N@@H+]1CC(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699463	1	53	0.0	-63.32	390.63	1.32	-62.00
CC1CC[N@H+]1CC(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699463	1	53	0.0	-65.34	390.65	1.34	-64.00
C[NH+](C)CC(O)CC(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699464	0	56	0.0	-72.31	417.28	-0.58	-72.89
C[NH+](C)[C@H]1C[C@H](C(=O)NC2(C3(O)CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030699491	0	56	0.0	-69.54	412.03	1.91	-67.63
CC(CC[NH+](C)C)C(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699492	0	58	0.0	-69.52	424.89	2.40	-67.12
NC(=[NH2+])SCC(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699509	0	47	0.0	-68.66	372.77	-2.54	-71.20
C[N@@H+]1CCC[C@H]1C(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699565	0	53	0.0	-61.94	390.56	1.46	-60.48
C[N@H+]1CCC[C@H]1C(=O)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699565	1	53	0.0	-64.70	384.51	0.92	-63.78
O=C(C[NH+]1CCCCC1)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699572	0	56	0.0	-66.97	406.56	2.38	-64.59
CC1C(C(=O)NC2(C3(O)CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC[N@@H+]1C	REAL300030699575	0	56	0.0	-64.63	406.92	1.72	-62.91
CC1C(C(=O)NC2(C3(O)CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC[N@H+]1C	REAL300030699575	1	56	0.0	-67.32	399.67	1.35	-65.97
C[N@@H+]1CCCC1C(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699751	0	53	0.0	-70.02	392.34	1.50	-68.52
C[N@H+]1CCCC1C(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699751	1	53	0.0	-69.89	387.38	1.38	-68.51
C[N@@H+]1CCOC(C(=O)N2CCC(O)(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030699777	1	54	0.0	-78.56	393.65	0.71	-77.85
C[N@H+]1CCOC(C(=O)N2CCC(O)(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030699777	1	54	0.0	-80.60	393.63	0.72	-79.88
C[N@@H+]1CCC(CC(=O)N2CCC(O)(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030699928	0	56	0.0	-73.48	414.71	2.27	-71.21
C[N@H+]1CCC(CC(=O)N2CCC(O)(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030699928	1	56	0.0	-73.95	414.14	2.30	-71.65
CCC(C(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030699931	0	55	0.0	-69.05	392.35	1.45	-67.60
C[NH+](C)CCCCC(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699942	0	58	0.0	-74.61	433.08	2.83	-71.78
CC(C)C(C(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030699948	0	58	0.0	-72.68	407.03	2.30	-70.38
CCC[N@H+](C)CCC(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699949	0	58	0.0	-75.19	429.31	2.63	-72.56
CCC[N@@H+](C)CCC(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699949	1	58	0.0	-74.99	429.30	2.65	-72.34
CCC[N@H+](C)CC(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699950	0	55	0.0	-72.77	406.94	2.04	-70.73
CCC[N@@H+](C)CC(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699950	1	55	0.0	-72.76	406.90	2.04	-70.72
C[NH+](C)CC1(C(=O)N2CCC(O)(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030699989	0	56	0.0	-79.15	414.82	2.20	-76.95
CC[N@H+](C)CCC(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699996	0	55	0.0	-74.35	407.81	1.91	-72.44
CC[N@@H+](C)CCC(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699996	1	55	0.0	-74.34	407.77	1.91	-72.43
C[NH+]1CCC(C(=O)N2CCC(O)(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030700022	0	56	0.0	-75.06	411.63	2.22	-72.84
CC(C)[C@H](C(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030700037	0	58	0.0	-68.37	411.13	2.14	-66.23
C[NH+](C)C1(C(=O)N2CCC(O)(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCC1	REAL300030700065	0	56	0.0	-70.97	392.03	1.53	-69.44
CC1CCC[N@@H+]1CC(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030700090	0	56	0.0	-69.16	406.44	2.02	-67.14
CC1CCC[N@H+]1CC(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030700090	1	56	0.0	-74.32	404.01	1.69	-72.63
CC(C)[C@@H](C(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030700104	0	58	0.0	-72.75	407.01	2.34	-70.41
CC1CC[N@H+](CC(=O)N2CCC(O)(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030700112	0	56	0.0	-71.72	413.06	2.32	-69.40
CC1CC[N@@H+](CC(=O)N2CCC(O)(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030700112	1	56	0.0	-77.53	410.56	2.04	-75.49
CC[C@@H](C(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030700115	0	55	0.0	-69.59	398.44	1.70	-67.89
CC1=[NH+]C=CN1CC(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030700157	1	51	0.0	-68.15	397.11	2.24	-65.91
CC1=C[NH+]=CN1CC(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030700176	1	51	0.0	-76.93	395.09	2.64	-74.29
C[C@@H]1[C@H](C(=O)N2CCC(O)(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC[N@@H+]1C	REAL300030700177	0	56	0.0	-82.88	401.35	1.44	-81.44
C[C@@H]1[C@H](C(=O)N2CCC(O)(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC[N@H+]1C	REAL300030700177	1	56	0.0	-81.01	407.24	1.53	-79.48
C[N@H+](CC(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CCC1	REAL300030700210	0	56	0.0	-75.60	411.55	2.28	-73.32
C[N@@H+](CC(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CCC1	REAL300030700210	1	56	0.0	-71.21	413.84	2.60	-68.61
C[NH+]1CCC(C(=O)N2CCC(O)(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030700217	0	56	0.0	-75.06	411.63	2.22	-72.84
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030700230	0	53	0.0	-75.23	383.78	0.84	-74.39
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030700230	1	53	0.0	-70.02	392.33	1.50	-68.52
C[N@@H+]1CCCCC1C(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030700274	0	56	0.0	-68.58	397.09	1.68	-66.90
C[N@H+]1CCCCC1C(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030700274	1	56	0.0	-74.01	400.09	1.87	-72.14
CC1C(C(=O)N2CCC(O)(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC[N@@H+]1C	REAL300030700303	0	56	0.0	-69.69	408.57	1.92	-67.77
CC1C(C(=O)N2CCC(O)(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC[N@H+]1C	REAL300030700303	1	56	0.0	-73.21	409.98	1.96	-71.25
C[C@@H](C(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030700345	0	52	0.0	-71.30	384.42	1.05	-70.25
O=C(CC[NH+]1CCCC1)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030700363	0	56	0.0	-73.89	416.04	2.42	-71.47
C[N@H+](CCO)CC(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030700368	1	53	0.0	-78.89	393.41	-2.27	-81.16
C[N@@H+](CCO)CC(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030700368	1	53	0.0	-72.74	395.58	-1.93	-74.67
CC1C[NH+](CC(=O)N2CCC(O)(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030700419	1	53	0.0	-72.97	399.02	1.73	-71.24
CC[N@H+](C)CC(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030700454	0	52	0.0	-72.36	385.44	1.30	-71.06
CC[N@@H+](C)CC(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030700454	1	52	0.0	-77.75	383.06	0.96	-76.79
COCC[N@H+](C)CC(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030700507	1	56	0.0	-72.31	417.83	0.48	-71.83
COCC[N@@H+](C)CC(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030700507	1	56	0.0	-73.11	418.01	0.47	-72.64
CC(CCC(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030700509	0	58	0.0	-71.61	425.07	2.44	-69.17
CC[N@H+](CC(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030700514	0	56	0.0	-68.87	416.80	2.70	-66.17
CC[N@@H+](CC(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030700514	1	56	0.0	-69.53	414.09	2.67	-66.86
C[N@@H+]1CC2CC1(C(=O)N1CCC(O)(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC1)C2	REAL300030700527	0	54	0.0	-73.71	394.50	1.79	-71.92
C[N@H+]1CC2CC1(C(=O)N1CCC(O)(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC1)C2	REAL300030700527	1	54	0.0	-75.24	394.56	1.60	-73.64
CC(C[NH+](C)C)C(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030700536	0	55	0.0	-74.67	404.13	1.71	-72.96
C[NH+](C)C1(C(=O)N2CCC(O)(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030700542	0	53	0.0	-71.64	386.74	1.09	-70.55
C[C@H](C(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030700553	0	52	0.0	-69.16	383.73	0.99	-68.17
CC[N@@H+]1CCC1C(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030700556	0	53	0.0	-76.52	385.54	0.81	-75.71
CC[N@H+]1CCC1C(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030700556	1	53	0.0	-70.59	390.84	1.28	-69.31
NC1=CC=[NH+]C=C1C(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030700572	0	49	0.0	-74.33	378.65	-1.44	-75.77
CCCC(C(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030700576	0	58	0.0	-71.69	417.28	2.33	-69.36
C[NH+](C)C(C)(C)C(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030700579	0	55	0.0	-76.76	388.39	1.16	-75.60
CC(CC[NH+](C)C)C(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030700588	0	58	0.0	-74.98	427.48	2.40	-72.58
O=C(C[NH+]1CC2CC2C1)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030700651	0	54	0.0	-78.29	399.89	2.13	-76.16
C[N@@H+]1CCCCC1C(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030700662	0	56	0.0	-68.58	397.09	1.68	-66.90
C[N@H+]1CCCCC1C(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030700662	1	56	0.0	-74.01	400.09	1.87	-72.14
C[N@@H+]1CCC(=CC(=O)N2CCC(O)(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030700690	0	54	0.0	-73.98	404.63	2.23	-71.75
C[N@H+]1CCC(=CC(=O)N2CCC(O)(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030700690	1	54	0.0	-73.80	404.45	2.26	-71.54
CCC1C[NH+](CC(=O)N2CCC(O)(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030700714	0	56	0.0	-73.77	420.38	2.48	-71.29
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030700719	0	53	0.0	-68.50	389.55	1.42	-67.08
C[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030700719	1	53	0.0	-76.69	383.92	0.85	-75.84
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(O)(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030700763	0	56	0.0	-77.40	414.34	2.02	-75.38
C[NH+](C)CCOCC(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030700781	0	56	0.0	-70.82	423.59	1.77	-69.05
O=C(C[NH+]1CCCCC1)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030700816	0	56	0.0	-72.41	409.45	2.50	-69.91
C[N@@H+]1CCCC(C(=O)N2CCC(O)(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030700817	0	56	0.0	-66.78	402.80	2.25	-64.53
C[N@H+]1CCCC(C(=O)N2CCC(O)(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030700817	1	56	0.0	-71.94	408.46	1.78	-70.16
CN1C=C[N+](CC(=O)N2CCC(O)(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030700818	0	51	0.0	-70.94	398.95	4.15	-66.79
C[N@H+](CC(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030700828	0	53	0.0	-69.50	397.00	2.05	-67.45
C[N@@H+](CC(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030700828	1	53	0.0	-70.63	397.13	2.04	-68.59
CC(CC(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1)C[NH+](C)C	REAL300030700836	0	58	0.0	-74.48	425.01	2.72	-71.76
C[NH+]1CC(CC(=O)N2CCC(O)(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030700887	0	53	0.0	-74.40	399.01	1.51	-72.89
C[NH+](C)CC(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030700894	0	49	0.0	-73.16	367.72	0.64	-72.52
C[N@H+](CCO)CCC(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030700904	0	56	0.0	-73.47	418.16	-1.30	-74.77
C[N@@H+](CCO)CCC(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030700904	1	56	0.0	-73.89	418.14	-1.34	-75.23
C[C@@H](C(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030700905	0	52	0.0	-71.30	384.42	1.05	-70.25
CC(C(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+]1CC(C)C1	REAL300030700919	0	56	0.0	-68.80	416.67	2.14	-66.66
CC1CC[N@@H+]1CC(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030700920	0	53	0.0	-76.51	396.65	1.40	-75.11
CC1CC[N@H+]1CC(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030700920	1	53	0.0	-70.70	393.51	1.46	-69.24
C[NH+](C)CC=CC(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030700922	0	53	0.0	-76.80	402.57	1.87	-74.93
CC1(C)C[NH+](CC(=O)N2CCC(O)(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030700926	1	56	0.0	-73.23	418.29	2.25	-70.98
CC[NH+](CC)CC(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030700943	0	55	0.0	-70.85	399.30	1.72	-69.13
O=C(C[NH+]1CCC1)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030700948	1	50	0.0	-72.77	377.82	1.05	-71.72
CC[NH+](CC)CCC(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030700968	0	58	0.0	-73.53	421.31	2.34	-71.19
CC(C(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+]1CCC1	REAL300030700999	0	53	0.0	-68.59	395.70	1.53	-67.06
C[NH+](C)CC(C)(C)C(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030701003	0	58	0.0	-67.45	401.85	2.04	-65.41
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030701024	0	56	0.0	-74.51	394.70	1.36	-73.15
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030701024	1	56	0.0	-69.94	407.94	2.22	-67.72
C[NH+](C)CC(O)CC(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030701034	0	56	0.0	-77.14	420.31	-0.29	-77.43
C=CCC(C(=O)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030701046	0	56	0.0	-69.82	411.46	2.20	-67.62
C[N@@H+]1CCCC1C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030701244	0	45	0.0	-69.87	365.44	2.44	-67.43
C[N@H+]1CCCC1C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030701244	1	45	0.0	-70.48	366.09	2.57	-67.91
C[N@@H+]1CCOC(C(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030701268	1	46	0.0	-88.52	377.06	1.95	-86.57
C[N@H+]1CCOC(C(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030701268	1	46	0.0	-81.42	369.95	1.79	-79.63
CC(C)[N@@H+]1CCCC1C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030701433	0	51	0.0	-68.88	400.71	3.73	-65.15
CC(C)[N@H+]1CCCC1C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030701433	1	51	0.0	-69.26	398.71	3.62	-65.64
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@@H+]2C1	REAL300030701447	0	52	0.0	-73.82	406.39	4.27	-69.55
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@H+]2C1	REAL300030701447	1	52	0.0	-74.56	407.29	4.25	-70.31
CC(C)C1=[NH+]C=CN1CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030701463	1	49	0.0	-69.52	405.46	4.24	-65.28
CC1=[NH+]C=CN1CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030701483	1	43	0.0	-70.17	369.17	3.12	-67.05
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCC1CC2	REAL300030701514	0	49	0.0	-83.45	379.88	3.32	-80.13
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1CCCC2CCC[N@@H+]21	REAL300030701547	0	52	0.0	-67.29	404.33	4.35	-62.94
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1CCCC2CCC[N@H+]21	REAL300030701547	1	52	0.0	-69.10	396.10	4.04	-65.06
C[C@@H]1[C@H](C(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030701556	0	48	0.0	-75.34	376.10	2.93	-72.41
C[C@@H]1[C@H](C(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030701556	1	48	0.0	-76.51	382.74	2.74	-73.77
CC[C@@H]1[C@@H](C(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030701560	0	51	0.0	-75.43	396.64	3.19	-72.24
CC[C@@H]1[C@@H](C(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030701560	1	51	0.0	-74.93	401.50	3.54	-71.39
CC[N@@H+]1CCOC(C(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030701569	1	49	0.0	-80.47	387.77	2.44	-78.03
CC[N@H+]1CCOC(C(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030701569	1	49	0.0	-74.24	386.73	2.46	-71.78
CC[NH+](CC)CC(F)C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030701605	0	50	0.0	-78.30	396.76	3.16	-75.14
CC1CCC(C)[NH+]1CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030701656	0	51	0.0	-70.90	396.82	3.53	-67.37
O=C(CCC[NH+]1CCCC1)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030701660	0	51	0.0	-75.42	409.53	4.04	-71.38
C#CC[NH+]1CCC(C(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030701663	0	50	0.0	-79.88	408.97	4.31	-75.57
O=C(CC[NH+]1CCCCC1)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030701664	0	51	0.0	-75.52	403.24	3.91	-71.61
CC[N@@H+]1CCCCC1C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030701668	0	51	0.0	-71.06	389.11	3.62	-67.44
CC[N@H+]1CCCCC1C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030701668	1	51	0.0	-68.74	398.27	3.75	-64.99
C[NH+](C)C1(C(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300030701680	0	48	0.0	-68.50	358.69	4.50	-64.00
CC(C)[C@@H](C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030701690	0	50	0.0	-70.35	388.83	3.60	-66.75
C[N@H+](CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030701721	0	48	0.0	-72.04	385.91	3.49	-68.55
C[N@@H+](CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030701721	1	48	0.0	-72.08	385.82	3.47	-68.61
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030701805	1	47	0.0	-72.98	385.33	3.27	-69.71
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030701805	1	47	0.0	-71.72	392.31	3.78	-67.94
C[N@@H+]1CCCC1CCC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030701810	0	51	0.0	-77.72	407.08	4.01	-73.71
C[N@H+]1CCCC1CCC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030701810	1	51	0.0	-73.48	401.30	3.54	-69.94
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+](CCC1)C2	REAL300030701817	0	52	0.0	-74.27	396.26	3.72	-70.55
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1CCC2CCCC[N@@H+]21	REAL300030701820	0	52	0.0	-68.41	406.75	4.48	-63.93
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1CCC2CCCC[N@H+]21	REAL300030701820	1	52	0.0	-68.89	406.73	4.46	-64.43
C[NH+]1CCC(C(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030701840	0	48	0.0	-79.07	384.29	3.16	-75.91
C[NH+](C)CC1=CC(C(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)=NO1	REAL300030701865	1	47	0.0	-80.73	398.99	2.56	-78.17
C[N@@H+]1CCCCC1C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030701886	0	48	0.0	-69.31	381.80	3.11	-66.20
C[N@H+]1CCCCC1C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030701886	1	48	0.0	-71.27	381.75	3.13	-68.14
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1=CN2C=[NH+]C=C2C=C1	REAL300030701972	0	43	0.0	-75.31	369.87	5.00	-70.31
CC1=[NH+]C=CN1CCCC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030701977	1	49	0.0	-72.71	410.67	4.41	-68.30
O=C(CC[NH+]1CCOCC1)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030701981	1	49	0.0	-78.74	394.97	1.52	-77.22
CC1=C[NH+]=CN1CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030701997	1	43	0.0	-72.64	369.46	3.85	-68.79
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+]1CCC2	REAL300030702026	0	49	0.0	-78.29	384.38	3.50	-74.79
C[N@@H+]1CCC(CC(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030702043	0	48	0.0	-78.21	386.14	3.09	-75.12
C[N@H+]1CCC(CC(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030702043	1	48	0.0	-77.20	386.15	3.09	-74.11
CN(C)C1=CC=[NH+]C=C1C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030702053	0	47	0.0	-83.97	390.42	2.32	-81.65
CCC(C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030702057	0	47	0.0	-69.84	370.13	2.56	-67.28
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC2=C[NH+]=CN2C=C1	REAL300030702093	1	43	0.0	-80.93	370.14	5.01	-75.92
C[NH+](C)CCCCC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030702131	0	50	0.0	-77.37	405.07	3.65	-73.72
CC(C)C(C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030702147	0	50	0.0	-69.41	383.60	3.58	-65.83
CCC[N@H+](C)CCC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030702148	0	50	0.0	-76.96	401.29	3.46	-73.50
CCC[N@@H+](C)CCC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030702148	1	50	0.0	-77.01	401.29	3.47	-73.54
CCC[N@H+](C)CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030702153	0	47	0.0	-74.25	378.93	2.91	-71.34
CCC[N@@H+](C)CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030702153	1	47	0.0	-74.28	378.93	2.92	-71.36
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C12CC[N@H+](C1)CCC2	REAL300030702171	0	49	0.0	-76.00	381.83	2.74	-73.26
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C12CC[N@@H+](C1)CCC2	REAL300030702171	1	49	0.0	-76.37	381.98	2.73	-73.64
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030702200	0	45	0.0	-72.00	359.74	2.01	-69.99
C[N@H+]1CCC[C@@H]1C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030702200	1	45	0.0	-70.22	364.78	2.57	-67.65
CC[NH+](CC)CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030702250	0	47	0.0	-72.71	375.43	2.85	-69.86
CC1CC[NH+](CC(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030702317	0	51	0.0	-74.84	402.64	3.99	-70.85
C[NH+](C)CC1(C(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030702347	0	48	0.0	-67.74	367.20	3.88	-63.86
C[NH+]1CCC(C(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030702416	0	48	0.0	-79.07	384.29	3.16	-75.91
CC(C)[C@H](C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030702433	0	50	0.0	-72.79	385.92	3.04	-69.75
CCC(C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300030702463	0	53	0.0	-67.22	404.13	3.91	-63.31
CC[N@H+](C)CCC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030702507	0	47	0.0	-76.13	379.79	2.73	-73.40
CC[N@@H+](C)CCC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030702507	1	47	0.0	-76.26	379.80	2.73	-73.53
CC1CCC[N@@H+]1CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030702545	0	48	0.0	-70.79	384.89	3.17	-67.62
CC1CCC[N@H+]1CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030702545	1	48	0.0	-71.56	384.20	3.31	-68.25
CC1CC[N@H+](CC(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030702547	0	48	0.0	-72.97	385.12	3.17	-69.80
CC1CC[N@@H+](CC(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030702547	1	48	0.0	-73.21	385.07	3.19	-70.02
CC1(C)CC[N@H+](CC(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030702551	0	51	0.0	-73.18	403.91	3.76	-69.42
CC1(C)CC[N@@H+](CC(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030702551	1	51	0.0	-73.63	404.14	3.76	-69.87
C[N@H+](CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030702552	0	53	0.0	-73.95	407.76	3.90	-70.05
C[N@@H+](CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030702552	1	53	0.0	-73.92	410.20	4.04	-69.88
CC[C@@H](C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030702560	0	47	0.0	-69.80	369.29	2.52	-67.28
C[NH+](C)CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030702691	0	41	0.0	-74.55	339.70	1.51	-73.04
O=C(C[NH+]1CCCCCC1)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030702695	0	51	0.0	-73.69	390.78	3.57	-70.12
CN1C=C[N+](CC(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300030702698	0	43	0.0	-72.16	370.10	5.02	-67.14
C[N@@H+]1CCCC(C(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030702704	0	48	0.0	-75.10	383.48	3.14	-71.96
C[N@H+]1CCCC(C(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030702704	1	48	0.0	-67.83	376.99	3.37	-64.46
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@@H+]1C1CC1	REAL300030702709	0	49	0.0	-69.33	397.13	4.03	-65.30
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@H+]1C1CC1	REAL300030702709	1	49	0.0	-71.92	389.01	3.37	-68.55
CC(C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030702728	1	45	0.0	-71.19	369.94	2.43	-68.76
CCC(CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030702732	0	53	0.0	-77.69	410.53	4.02	-73.67
C[NH+](C)CC(C)(C)C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030702738	0	50	0.0	-70.72	386.45	3.20	-67.52
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C12CC(C1)C[N@@H+]2C1CC1	REAL300030702751	0	50	0.0	-54.61	383.10	5.19	-49.42
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C12CC(C1)C[N@H+]2C1CC1	REAL300030702751	1	50	0.0	-53.58	388.39	6.01	-47.57
O=C(C[NH+]1CCC(O)CC1)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030702759	1	49	0.0	-79.20	392.52	0.03	-79.17
C[N@H+](CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030702760	0	45	0.0	-71.12	368.97	2.90	-68.22
C[N@@H+](CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030702760	1	45	0.0	-71.63	369.11	2.92	-68.71
C[NH+]1CC(CC(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030702777	0	45	0.0	-74.76	371.15	2.32	-72.44
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@@H+]1C1CCCC1	REAL300030702781	0	52	0.0	-74.73	411.31	4.48	-70.25
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1CC[N@H+]1C1CCCC1	REAL300030702781	1	52	0.0	-74.60	410.32	4.28	-70.32
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030702789	0	51	0.0	-74.03	383.35	3.09	-70.94
CC(C)(C)[N@H+]1CCC1C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030702789	1	51	0.0	-70.40	385.32	2.39	-68.01
C[C@@H](C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030702800	0	44	0.0	-72.33	356.88	1.94	-70.39
C[NH+](C)CC1=CC=C(C(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)N1	REAL300030702836	0	49	0.0	-87.55	406.54	2.68	-84.87
[NH2+]=C1SC=CN1CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030702874	0	41	0.0	-70.76	366.77	1.69	-69.07
C[N@H+](CCO)CCC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030702882	0	48	0.0	-76.12	390.15	-0.49	-76.61
C[N@@H+](CCO)CCC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030702882	1	48	0.0	-75.07	389.92	-0.50	-75.57
C[C@@H](C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030702883	0	44	0.0	-72.33	356.88	1.94	-70.39
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030702887	0	48	0.0	-72.31	371.38	2.96	-69.35
C[N@H+]1CCCC[C@@H]1C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030702887	1	48	0.0	-71.21	380.75	3.11	-68.10
CC1CN2CC[N@@H+]1CC2C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030702895	0	51	0.0	-77.67	391.67	0.53	-77.14
CC1CN2CC[N@H+]1CC2C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030702895	1	51	0.0	-76.79	392.52	0.46	-76.33
O=C(C[NH+]1CCC1)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030702949	1	42	0.0	-74.69	349.80	1.93	-72.76
C[N@@H+]1CCC(=CC(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030702968	0	46	0.0	-77.70	376.77	3.07	-74.63
C[N@H+]1CCC(=CC(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030702968	1	46	0.0	-77.69	376.77	3.07	-74.62
C[NH+](C)CCOCC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030702997	0	48	0.0	-74.87	395.36	2.55	-72.32
C=CCC(C)(C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030703016	0	51	0.0	-54.74	383.45	4.69	-50.05
C[S+](C)CCC(O)C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703020	0	47	0.0	-82.74	404.54	1.17	-81.57
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703045	0	49	0.0	-52.07	372.81	0.41	-51.66
CC1CN(CC(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030703067	0	45	0.0	-74.92	369.78	2.67	-72.25
CC1C[NH+](CC(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030703067	1	45	0.0	-74.92	369.78	2.67	-72.25
CN(CCO)CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703085	0	45	0.0	-74.72	367.78	-1.06	-75.78
C[N@H+](CCO)CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703085	1	45	0.0	-74.80	367.76	-1.03	-75.83
C[N@@H+](CCO)CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703085	1	45	0.0	-74.80	367.76	-1.03	-75.83
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1C[N@@H+]2CCN1CCC2	REAL300030703102	0	51	0.0	-83.52	386.56	1.28	-82.24
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1C[N@H+]2CCN1CCC2	REAL300030703102	1	51	0.0	-83.52	386.56	1.28	-82.24
CC[N@@H+]1CCCC(C(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030703107	0	51	0.0	-72.70	401.15	3.79	-68.91
CC[N@H+]1CCCC(C(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030703107	1	51	0.0	-72.70	401.15	3.79	-68.91
CC(CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030703109	0	50	0.0	-76.95	396.89	3.51	-73.44
CC[N@H+](C)CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703116	0	44	0.0	-73.92	357.47	2.17	-71.75
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C12CCC[N@@H+]1CCCC2	REAL300030703134	0	52	0.0	-54.03	372.84	5.26	-48.77
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C12CCC[N@H+]1CCCC2	REAL300030703134	1	52	0.0	-54.03	372.84	5.26	-48.77
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C12CCC[N@@H+]1CC=CC2	REAL300030703139	0	50	0.0	-68.91	387.47	3.88	-65.03
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C12CCC[N@H+]1CC=CC2	REAL300030703139	1	50	0.0	-68.91	387.47	3.88	-65.03
CC[N@H+](CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030703157	0	48	0.0	-69.88	384.55	3.32	-66.56
CC[NH+](CC)CCC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703168	0	50	0.0	-75.82	393.30	3.15	-72.67
CC1(O)CC[N@H+](CC(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030703207	0	49	0.0	-72.85	394.57	-0.11	-72.96
C[NH+](C)CC=CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703214	0	45	0.0	-78.64	375.67	2.70	-75.94
CC(OCC[NH+](C)C)C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703231	0	51	0.0	-73.11	415.36	3.26	-69.85
C[NH+](C)CCOCCC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703238	0	51	0.0	-74.74	416.53	2.30	-72.44
COCCN(C)CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703239	0	48	0.0	-74.78	390.01	1.36	-73.42
COCC[N@H+](C)CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703239	1	48	0.0	-74.98	390.03	1.34	-73.64
COCC[N@@H+](C)CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703239	1	48	0.0	-74.98	390.03	1.34	-73.64
C[NH+](C)C1(C(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300030703262	0	51	0.0	-51.34	375.25	4.47	-46.87
CC(CCC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030703265	0	50	0.0	-74.21	396.87	3.27	-70.94
CCN1CCC1C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703271	0	45	0.0	-71.30	364.91	2.27	-69.03
CC[N@@H+]1CCC1C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703271	1	45	0.0	-73.07	370.53	2.54	-70.53
CC[N@H+]1CCC1C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703271	1	45	0.0	-73.07	370.53	2.54	-70.53
O=C(C[N@H+]1CCCC1CO)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703288	0	49	0.0	-73.30	389.24	-0.45	-73.75
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@@H+]2C1	REAL300030703308	0	52	0.0	-74.56	407.29	4.25	-70.31
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1CC2CCCC[N@H+]2C1	REAL300030703308	1	52	0.0	-74.56	407.29	4.25	-70.31
C[NH+]1CCC(C)(C(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030703314	0	51	0.0	-75.23	396.15	3.60	-71.63
C=CCC(C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030703337	0	48	0.0	-74.61	387.34	3.16	-71.45
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703346	0	51	0.0	-71.57	400.00	3.12	-68.45
C[NH+](C)CCCCCC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703348	0	53	0.0	-76.55	426.56	4.42	-72.13
CC1C[N@@H+]2CCN1C(C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030703376	0	51	0.0	-85.46	392.60	0.57	-84.89
CCCC(C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030703377	0	50	0.0	-72.20	394.29	3.48	-68.72
C[NH+](C)C(C)(C)C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703380	0	47	0.0	-79.89	367.16	2.66	-77.23
C[N@@H+]1CCCCC1C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703411	0	48	0.0	-71.27	381.75	3.13	-68.14
C[N@H+]1CC=C(CC(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030703441	0	49	0.0	-70.50	398.02	3.84	-66.66
C[N@@H+]1CC=C(CC(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030703441	1	49	0.0	-70.50	398.02	3.84	-66.66
O=C(CC1([NH+]2CCCC2)CC1)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703449	0	52	0.0	-71.98	403.65	4.18	-67.80
CN(C)CC1=CC=C(C(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030703480	0	48	0.0	-82.80	403.19	3.22	-79.58
C[NH+](C)CC1=CC=C(C(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030703480	1	48	0.0	-82.80	403.19	3.22	-79.58
O=C(C=CC[NH+]1CCCC1)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703493	0	49	0.0	-77.66	402.01	3.92	-73.74
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1CC[NH+](C2CC2)CC1	REAL300030703510	0	52	0.0	-76.39	409.15	4.37	-72.02
O=C(CC[NH+]1CCCC1)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703528	0	48	0.0	-76.30	387.30	3.19	-73.11
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCN1CC2	REAL300030703559	0	48	0.0	-80.22	376.08	-0.04	-80.26
C[N@@H+]1CC2CC1(C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030703566	0	46	0.0	-56.97	353.95	3.89	-53.08
O=C(C[N@@H+]1CC2CCC1C2)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703576	0	49	0.0	-70.85	383.24	3.44	-67.41
O=C(C[N@H+]1CC2CCC1C2)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703576	1	49	0.0	-70.85	383.24	3.44	-67.41
O=C(C=C1C[NH+]2CCC1CC2)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703611	0	50	0.0	-68.73	395.84	3.89	-64.84
O=C(CN1CC2C=CC1C2)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703621	0	47	0.0	-72.38	378.20	3.49	-68.89
O=C(C[N@@H+]1CC2C=CC1C2)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703621	1	47	0.0	-72.06	379.04	3.47	-68.59
O=C(C[N@H+]1CC2C=CC1C2)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703621	1	47	0.0	-72.06	379.04	3.47	-68.59
CC(C[NH+](C)C)C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703655	0	47	0.0	-75.98	378.11	2.77	-73.21
C[N@@H+]1CCCCC1CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703710	0	51	0.0	-67.95	390.62	3.57	-64.38
C[N@H+]1CCCCC1CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703710	1	51	0.0	-67.95	390.62	3.57	-64.38
CC(C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)N1CC(C)C1	REAL300030703723	0	48	0.0	-71.63	388.90	3.20	-68.43
CC(C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300030703723	1	48	0.0	-71.63	388.90	3.20	-68.43
CC1CCN1CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703725	0	45	0.0	-71.93	365.65	2.36	-69.57
CC1CC[N@@H+]1CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703725	1	45	0.0	-72.70	371.21	2.61	-70.09
CC1CC[N@H+]1CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703725	1	45	0.0	-72.70	371.21	2.61	-70.09
C[NH+](C)CC(O)CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703728	0	48	0.0	-80.24	392.18	0.52	-79.72
CC1CN(C)CC(C(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030703751	0	49	0.0	-81.93	391.34	2.57	-79.36
CC1C[N@H+](C)CC(C(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030703751	1	49	0.0	-82.08	390.33	2.54	-79.54
CC1C[N@@H+](C)CC(C(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030703751	1	49	0.0	-82.08	390.33	2.54	-79.54
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030703811	0	48	0.0	-74.23	389.23	3.24	-70.99
CC(CC[NH+](C)C)C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703817	0	50	0.0	-75.94	399.74	3.40	-72.54
C#CCN1CCCCC1C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703838	0	50	0.0	-72.12	397.65	4.13	-67.99
C#CC[N@H+]1CCCCC1C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703838	1	50	0.0	-70.93	397.59	4.15	-66.78
C#CC[N@@H+]1CCCCC1C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703838	1	50	0.0	-70.93	397.59	4.15	-66.78
CN1CCN(CC(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030703841	0	50	0.0	-73.79	398.72	1.01	-72.78
C[NH+]1CCN(CC(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030703841	1	50	0.0	-73.79	398.72	1.01	-72.78
NC(=[NH2+])SCC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703865	0	39	0.0	-77.08	347.62	-1.54	-78.62
C[NH+](C)CCC1(C(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030703899	0	51	0.0	-54.23	398.79	5.21	-49.02
C[N@@H+]1CC=CCC1CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703900	0	49	0.0	-68.39	385.07	3.50	-64.89
C[N@H+]1CC=CCC1CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703900	1	49	0.0	-68.39	385.07	3.50	-64.89
C[C@@H](OCC[NH+](C)C)C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703918	0	51	0.0	-72.83	414.40	3.30	-69.53
C[NH+]1C2CCC1CC(C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030703938	0	52	0.0	-72.64	381.40	4.03	-68.61
CCC1C[NH+](CC(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030704021	1	48	0.0	-75.36	392.34	3.37	-71.99
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1([NH+]2CCCC2)CCC1	REAL300030704023	0	52	0.0	-75.08	398.56	4.22	-70.86
C[N@H+]1CCC[C@H]1C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030704029	1	45	0.0	-74.89	358.63	2.07	-72.82
O=C(CC[N@@H+]1CCC(F)C1)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030704035	1	48	0.0	-80.26	393.77	3.26	-77.00
O=C(C[NH+]1CCCCC1)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030704050	0	48	0.0	-74.04	381.42	3.38	-70.66
CC1C(C(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030704056	0	48	0.0	-75.32	377.16	2.92	-72.40
CC1C(C(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030704056	1	48	0.0	-75.15	377.55	2.72	-72.43
CN1CCOCC1CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030704090	0	49	0.0	-68.22	382.85	1.18	-67.04
C[N@@H+]1CCOCC1CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030704090	1	49	0.0	-68.05	382.02	1.18	-66.87
C[N@H+]1CCOCC1CC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030704090	1	49	0.0	-68.22	382.85	1.18	-67.04
CC1=C(C)[NH+]=C(CCC(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)N1	REAL300030704097	1	49	0.0	-70.07	409.94	2.80	-67.27
CN1CCCC1C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030704264	0	45	0.0	-69.06	364.72	2.54	-66.52
C[N@@H+]1CCCC1C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030704264	1	45	0.0	-68.42	363.31	2.38	-66.04
C[N@H+]1CCCC1C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030704264	1	45	0.0	-69.06	364.72	2.54	-66.52
CC1=[NH+]C=CN1CCCC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030704442	1	49	0.0	-69.95	413.31	4.52	-65.43
O=C(CC[NH+]1CCOCC1)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030704446	1	49	0.0	-77.33	397.60	1.61	-75.72
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC(=O)[N-]O1	REAL300030704462	1	43	0.0	-75.59	363.11	5.59	-70.00
C[N@@H+]1CCC(CC(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030704497	0	48	0.0	-75.52	388.84	3.24	-72.28
C[N@H+]1CCC(CC(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030704497	1	48	0.0	-74.12	388.26	3.25	-70.87
CCC(C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030704509	0	47	0.0	-70.74	372.27	2.60	-68.14
C[NH+](C)CCCCC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030704551	0	50	0.0	-75.08	407.69	3.73	-71.35
CCC[N@H+](C)CCC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030704568	0	50	0.0	-75.41	403.90	3.59	-71.82
CCC[N@@H+](C)CCC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030704568	1	50	0.0	-75.40	403.92	3.57	-71.83
CCC[N@H+](C)CC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030704572	0	47	0.0	-73.23	381.06	3.05	-70.18
CCC[N@@H+](C)CC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030704572	1	47	0.0	-73.08	381.54	3.01	-70.07
O=C(NCC1CC(F)(F)CN1C(=O)C12CC[N@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300030704586	0	49	0.0	-74.03	375.48	2.45	-71.58
O=C(NCC1CC(F)(F)CN1C(=O)C12CC[N@@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300030704586	1	49	0.0	-79.56	369.51	3.24	-76.32
CC1CC[NH+](CC(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030704628	0	51	0.0	-73.84	404.90	4.06	-69.78
O=C(NCC1CC(F)(F)CN1C(=O)C1CC2CCCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300030704672	0	52	0.0	-71.41	405.59	4.15	-67.26
O=C(NCC1CC(F)(F)CN1C(=O)C1CC2CCCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300030704672	1	52	0.0	-75.46	405.21	4.13	-71.33
C[NH+](C)CC1(C(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030704680	0	48	0.0	-71.81	381.34	3.86	-67.95
CC[N@H+](C)CCC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030704699	0	47	0.0	-74.64	382.42	2.83	-71.81
CC[N@@H+](C)CCC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030704699	1	47	0.0	-74.62	382.42	2.81	-71.81
O=C(NCC1CC(F)(F)CN1C(=O)C1C[NH+]2CCC1CC2)C1=CC(=O)[N-]O1	REAL300030704716	0	49	0.0	-78.37	379.22	3.20	-75.17
C[NH+]1CCC(C(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030704764	0	48	0.0	-77.75	381.71	3.01	-74.74
CC[NH+](CC)CC(F)C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030704834	0	50	0.0	-72.63	400.83	3.30	-69.33
CCC(C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300030704874	0	53	0.0	-59.82	403.47	4.54	-55.28
CC1CCC[N@@H+]1CC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030704887	0	48	0.0	-69.23	380.81	2.99	-66.24
CC1CCC[N@H+]1CC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030704887	1	48	0.0	-70.35	387.66	3.38	-66.97
CC(C)[N@@H+]1CCCC1C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030704937	0	51	0.0	-69.91	392.43	3.77	-66.14
CC(C)[N@H+]1CCCC1C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030704937	1	51	0.0	-68.01	396.84	3.50	-64.51
CC1CC[N@H+](CC(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030704962	0	48	0.0	-72.53	387.27	3.36	-69.17
CC1CC[N@@H+](CC(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030704962	1	48	0.0	-72.56	387.51	3.36	-69.20
CC1(C)CC[N@H+](CC(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030704965	0	51	0.0	-72.31	407.34	3.84	-68.47
CC1(C)CC[N@@H+](CC(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030704965	1	51	0.0	-72.61	407.60	3.82	-68.79
C[N@H+](CC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030704966	0	53	0.0	-73.28	408.97	4.04	-69.24
C[N@@H+](CC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030704966	1	53	0.0	-72.66	412.78	4.19	-68.47
CC[C@@H](C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030704973	0	47	0.0	-62.76	367.23	3.34	-59.42
CC1=[NH+]C=CN1CC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030705108	1	43	0.0	-68.52	370.77	3.18	-65.34
C[NH+](C)CC1=CC(C(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)=NO1	REAL300030705127	1	47	0.0	-78.90	397.75	2.79	-76.11
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030705150	1	49	0.0	-67.52	408.19	4.34	-63.18
O=C(NCC1CC(F)(F)CN1C(=O)C1CCCC2CCC[N@@H+]21)C1=CC(=O)[N-]O1	REAL300030705171	0	52	0.0	-60.28	401.70	5.08	-55.20
O=C(NCC1CC(F)(F)CN1C(=O)C1CCCC2CCC[N@H+]21)C1=CC(=O)[N-]O1	REAL300030705171	1	52	0.0	-68.73	393.78	4.94	-63.79
CC[N@@H+]1CCOC(C(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030705182	1	49	0.0	-79.58	389.26	3.29	-76.29
CC[N@H+]1CCOC(C(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030705182	1	49	0.0	-71.24	381.66	3.13	-68.11
O=C(NCC1CC(F)(F)CN1C(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC(=O)[N-]O1	REAL300030705211	0	43	0.0	-69.25	362.92	5.59	-63.66
CC1=C[NH+]=CN1CC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030705214	1	43	0.0	-71.97	371.07	3.91	-68.06
C[C@@H]1[C@H](C(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030705221	0	48	0.0	-76.58	377.17	2.58	-74.00
C[C@@H]1[C@H](C(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030705221	1	48	0.0	-69.55	378.74	3.58	-65.97
CC[C@@H]1[C@@H](C(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030705224	0	51	0.0	-70.19	392.30	4.01	-66.18
CC[C@@H]1[C@@H](C(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030705224	1	51	0.0	-73.41	405.10	3.75	-69.66
CC1CCC(C)[NH+]1CC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030705231	0	51	0.0	-63.88	394.60	4.35	-59.53
O=C(CCC[NH+]1CCCC1)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030705235	0	51	0.0	-73.34	412.18	4.14	-69.20
C#CC[NH+]1CCC(C(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030705238	0	50	0.0	-76.40	404.74	5.16	-71.24
O=C(CC[NH+]1CCCCC1)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030705239	0	51	0.0	-73.95	406.36	4.04	-69.91
C[N@H+](CC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030705346	0	48	0.0	-70.74	388.53	3.59	-67.15
C[N@@H+](CC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030705346	1	48	0.0	-71.08	388.44	3.56	-67.52
C[NH+]1CCC(C(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030705378	0	48	0.0	-77.75	381.71	3.01	-74.74
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030705403	1	45	0.0	-71.88	360.60	2.08	-69.80
C[N@H+]1CCC[C@@H]1C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030705403	1	45	0.0	-69.62	366.52	2.55	-67.07
C[N@@H+]1CCCC1CCC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030705423	0	51	0.0	-76.36	409.47	4.14	-72.22
C[N@H+]1CCCC1CCC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030705423	1	51	0.0	-71.57	404.00	3.65	-67.92
O=C(NCC1CC(F)(F)CN1C(=O)C1CCC2CCCC[N@@H+]21)C1=CC(=O)[N-]O1	REAL300030705430	0	52	0.0	-68.59	403.63	4.06	-64.53
O=C(NCC1CC(F)(F)CN1C(=O)C1CCC2CCCC[N@H+]21)C1=CC(=O)[N-]O1	REAL300030705430	1	52	0.0	-66.81	406.13	4.40	-62.41
CC1C(C(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030705551	0	48	0.0	-71.39	380.81	2.70	-68.69
CC1C(C(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030705551	1	48	0.0	-76.97	377.80	2.58	-74.39
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030705608	1	51	0.0	-69.45	402.89	3.24	-66.21
CC(C)(C)[N@H+]1CCC1C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030705608	1	51	0.0	-67.33	378.69	3.17	-64.16
C[C@@H](C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030705625	0	44	0.0	-64.87	355.99	2.43	-62.44
C=CCC(C)(C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030705639	0	51	0.0	-57.67	383.33	3.90	-53.77
O=C(CC[NH+]1CCCC1)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030705659	0	48	0.0	-74.58	389.10	3.24	-71.34
C[N@H+](CCO)CC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030705668	1	45	0.0	-73.89	370.45	-0.97	-74.86
C[N@@H+](CCO)CC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030705668	1	45	0.0	-73.48	369.72	-0.95	-74.43
O=C(NCC1CC(F)(F)CN1C(=O)C1C[N@@H+]2CCN1CCC2)C1=CC(=O)[N-]O1	REAL300030705691	0	51	0.0	-81.64	384.73	1.10	-80.54
O=C(NCC1CC(F)(F)CN1C(=O)C1C[N@H+]2CCN1CCC2)C1=CC(=O)[N-]O1	REAL300030705691	1	51	0.0	-79.62	388.32	0.77	-78.85
C[N@H+]1CC=C(CC(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030705726	0	49	0.0	-70.32	401.23	3.98	-66.34
C[N@@H+]1CC=C(CC(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030705726	1	49	0.0	-68.33	401.20	3.99	-64.34
C[S+](C)CCC(O)C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030705736	0	47	0.0	-75.73	398.62	1.71	-74.02
CC[N@@H+]1CCCC(C(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030705789	0	51	0.0	-71.71	400.51	3.65	-68.06
CC[N@H+]1CCCC(C(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030705789	1	51	0.0	-65.55	394.08	3.76	-61.79
NC1=[NH+]C=CC=C1CC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030705793	0	44	0.0	-67.20	376.63	1.42	-65.78
O=C(NCC1CC(F)(F)CN1C(=O)C1CCC[N@@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300030705800	1	49	0.0	-69.33	382.94	4.25	-65.08
O=C(NCC1CC(F)(F)CN1C(=O)C1CCC[N@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300030705800	1	49	0.0	-70.20	391.64	3.44	-66.76
O=C(C=CC[NH+]1CCCC1)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030705829	0	49	0.0	-76.18	403.98	3.99	-72.19
O=C(NCC1CC(F)(F)CN1C(=O)C1CC[NH+](C2CC2)CC1)C1=CC(=O)[N-]O1	REAL300030705844	0	52	0.0	-70.01	408.80	5.38	-64.63
CC[N@H+](C)CC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030705871	0	44	0.0	-72.78	360.10	2.27	-70.51
CC(OCC[NH+](C)C)C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030705997	0	51	0.0	-59.28	409.33	3.94	-55.34
C[NH+](C)CCOCCC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706005	0	51	0.0	-72.01	419.21	2.46	-69.55
COCCN(C)CC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706007	0	48	0.0	-73.27	392.03	1.42	-71.85
COCC[N@H+](C)CC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706007	1	48	0.0	-74.33	392.16	1.47	-72.86
COCC[N@@H+](C)CC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706007	1	48	0.0	-74.33	392.16	1.47	-72.86
CC(CCC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030706011	0	50	0.0	-72.22	399.30	3.36	-68.86
CC[N@H+](CC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030706028	0	48	0.0	-72.00	384.54	3.51	-68.49
CC1C[N@@H+]2CCN1C(C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030706037	0	51	0.0	-79.93	391.05	0.38	-79.55
O=C(C[N@@H+]1CC2CCC1C2)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706062	0	49	0.0	-71.18	388.77	3.69	-67.49
CC(C[NH+](C)C)C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706077	0	47	0.0	-60.19	377.18	3.43	-56.76
CCC(C)(C)[NH2+]C(C)C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706123	0	53	0.0	-65.04	395.29	3.03	-62.01
CNC1=NC(C)=CC=C1C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706155	0	47	0.0	-62.39	386.54	3.00	-59.39
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706155	1	47	0.0	-62.39	386.54	3.00	-59.39
CCCC(C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030706165	0	50	0.0	-71.41	393.77	3.36	-68.05
CC(CC[NH+](C)C)C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706184	0	50	0.0	-65.77	397.82	4.08	-61.69
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706249	0	51	0.0	-69.05	403.93	3.69	-65.36
C[NH+](C)CCCCCC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706251	0	53	0.0	-73.95	429.19	4.52	-69.43
CN1CCN(CC(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030706262	0	50	0.0	-71.61	401.33	1.11	-70.50
C[NH+]1CCN(CC(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030706262	1	50	0.0	-71.61	401.33	1.11	-70.50
CC1CN(C)CC(C(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030706324	0	49	0.0	-85.33	396.57	2.59	-82.74
CC1C[N@H+](C)CC(C(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030706324	1	49	0.0	-75.24	389.61	2.43	-72.81
CC1C[N@@H+](C)CC(C(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030706324	1	49	0.0	-75.24	389.61	2.43	-72.81
O=C(CN1CC2CC2C1)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706365	0	46	0.0	-73.27	377.70	3.48	-69.79
O=C(C[NH+]1CC2CC2C1)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706365	1	46	0.0	-73.27	377.70	3.48	-69.79
O=C(CC1([NH+]2CCCC2)CC1)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706376	0	52	0.0	-69.79	407.13	4.41	-65.38
CN1CCCCC1C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706397	0	48	0.0	-60.33	377.47	3.83	-56.50
C[N@@H+]1CCCCC1C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706397	1	48	0.0	-70.53	370.49	2.67	-67.86
C[N@H+]1CCCCC1C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706397	1	48	0.0	-70.53	370.49	2.67	-67.86
C[N@@H+]1CCC(=CC(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030706472	0	46	0.0	-75.99	380.48	3.16	-72.83
C[N@H+]1CCC(=CC(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030706472	1	46	0.0	-75.99	380.48	3.16	-72.83
O=C(CNC1=CC=[NH+]C=C1)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706477	0	44	0.0	-73.01	378.07	0.87	-72.14
O=C(C=C1C[NH+]2CCC1CC2)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706512	0	50	0.0	-67.06	398.09	4.02	-63.04
CN1CCC[C@H]1C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706550	0	45	0.0	-69.58	364.88	2.48	-67.10
C[N@@H+]1CCC[C@H]1C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706550	1	45	0.0	-70.91	360.43	2.14	-68.77
C[N@H+]1CCC[C@H]1C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706550	1	45	0.0	-70.91	360.43	2.14	-68.77
NC1=CC=C(CCC(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)C=[NH+]1	REAL300030706594	0	47	0.0	-72.12	401.32	2.13	-69.99
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030706643	0	48	0.0	-72.35	391.63	3.35	-69.00
C[N@@H+]1CC=CCC1CC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706653	0	49	0.0	-76.90	393.28	3.71	-73.19
C[N@H+]1CC=CCC1CC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706653	1	49	0.0	-66.26	388.27	3.65	-62.61
C[NH+](C)CCOCC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706697	0	48	0.0	-71.97	398.26	2.71	-69.26
[NH2+]=C1SC=CN1CC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706726	0	41	0.0	-68.30	369.38	1.80	-66.50
C[C@@H](OCC[NH+](C)C)C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706770	0	51	0.0	-70.39	413.72	3.16	-67.23
O=C(C[NH+]1CCCCC1)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706794	1	48	0.0	-72.92	384.03	3.48	-69.44
C[N@@H+]1CCCC(C(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030706795	0	48	0.0	-65.31	376.98	3.17	-62.14
C[N@H+]1CCCC(C(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030706795	1	48	0.0	-57.57	372.81	4.12	-53.45
O=C(C[NH+]1CCCCCC1)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706796	0	51	0.0	-72.63	393.27	3.66	-68.97
CN1C=C[N+](CC(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030706800	0	43	0.0	-69.96	373.74	5.14	-64.82
C[NH+](C)CC1=CC=C(C(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030706811	1	48	0.0	-79.77	402.35	3.38	-76.39
C[N@H+](CC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030706826	0	45	0.0	-69.82	371.57	3.01	-66.81
C[N@@H+](CC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030706826	1	45	0.0	-70.54	371.76	3.00	-67.54
O=C(CC[N@H+]1CCC(F)C1)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706829	0	48	0.0	-77.69	396.29	3.47	-74.22
O=C(CC[N@@H+]1CCC(F)C1)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706829	1	48	0.0	-78.95	397.15	3.44	-75.51
CC(CC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030706848	0	50	0.0	-77.33	399.39	3.63	-73.70
C[N@@H+]1CCOCC1CC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706873	1	49	0.0	-79.86	392.84	1.50	-78.36
C[N@H+]1CCOCC1CC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706873	1	49	0.0	-68.93	385.22	1.32	-67.61
CC1=CC(N)=[NH+]C=C1C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706909	1	44	0.0	-70.68	365.65	1.66	-69.02
NC1=CC=C(CCC(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)C=[NH+]1	REAL300030706912	0	47	0.0	-72.12	401.32	2.13	-69.99
CC1(O)CC[N@H+](CC(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030706938	1	49	0.0	-73.56	398.46	0.02	-73.54
CC1(O)CC[N@@H+](CC(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030706938	1	49	0.0	-73.43	398.58	0.05	-73.38
C[NH+]1CC(CC(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030706965	0	45	0.0	-73.81	373.80	2.43	-71.38
O=C(NCC1CC(F)(F)CN1C(=O)C1CC[N@@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300030706969	0	52	0.0	-70.84	407.53	4.18	-66.66
O=C(NCC1CC(F)(F)CN1C(=O)C1CC[N@H+]1C1CCCC1)C1=CC(=O)[N-]O1	REAL300030706969	1	52	0.0	-73.31	412.25	4.36	-68.95
C[NH+](C)CC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706977	0	41	0.0	-73.26	342.51	1.62	-71.64
C[N@H+](CCO)CCC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706997	0	48	0.0	-74.44	392.76	-0.36	-74.80
C[N@@H+](CCO)CCC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706997	1	48	0.0	-73.81	392.59	-0.36	-74.17
C[C@@H](C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030706998	0	44	0.0	-64.87	355.99	2.43	-62.44
C[N@@H+]1CCCCC1CC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030707011	0	51	0.0	-71.87	396.57	4.68	-67.19
C[N@H+]1CCCCC1CC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030707011	1	51	0.0	-65.85	394.05	3.69	-62.16
CC(C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300030707025	1	48	0.0	-65.36	383.74	4.00	-61.36
C[NH+](C)CC=CC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030707035	0	45	0.0	-77.25	377.64	2.79	-74.46
CC1=C(C)[NH+]=C(CCC(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)N1	REAL300030707054	1	49	0.0	-68.14	412.59	2.89	-65.25
C[NH+](C)CCSCC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030707069	0	48	0.0	-78.00	409.40	3.60	-74.40
O=C(C[N@H+]1CCCC1CO)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030707088	1	49	0.0	-71.94	391.50	-0.33	-72.27
O=C(C[N@@H+]1CCCC1CO)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030707088	1	49	0.0	-71.79	392.14	-0.33	-72.12
CC[NH+](CC)CC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030707092	0	47	0.0	-70.91	374.02	2.71	-68.20
CC[NH+](CC)CCC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030707130	0	50	0.0	-73.90	396.19	3.31	-70.59
C[NH+](C)CC1=CNC(C(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030707169	0	49	0.0	-72.56	399.23	3.96	-68.60
CCC(CC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030707194	0	53	0.0	-79.11	417.31	4.28	-74.83
NC1=CC=C(C=CC(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)C=[NH+]1	REAL300030707198	0	45	0.0	-76.92	389.02	1.80	-75.12
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030707229	1	48	0.0	-70.66	371.45	2.77	-67.89
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030707229	1	48	0.0	-61.77	378.01	4.03	-57.74
CC1CN2CC[N@@H+]1CC2C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030707239	0	51	0.0	-78.02	392.24	0.32	-77.70
CC1CN2CC[N@H+]1CC2C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030707239	1	51	0.0	-77.51	391.14	0.19	-77.32
C[NH+](C)CC(O)CC(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030707256	0	48	0.0	-77.62	395.03	0.68	-76.94
C[NH+]1C2CCC1CC(C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030707258	0	52	0.0	-68.39	359.11	4.26	-64.13
C=CCC(C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030707283	0	48	0.0	-71.38	385.71	3.11	-68.27
O=C(NCC1CC(F)(F)CN1C(=O)C1CC2CCCC[N@@H+]2C1)C1=CC(=O)[N-]O1	REAL300030707289	0	52	0.0	-71.41	405.59	4.15	-67.26
O=C(NCC1CC(F)(F)CN1C(=O)C1CC2CCCC[N@H+]2C1)C1=CC(=O)[N-]O1	REAL300030707289	1	52	0.0	-75.46	405.21	4.13	-71.33
C[NH+](C)CCSCC(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030707364	0	48	0.0	-80.79	406.60	3.44	-77.35
C[N@@H+]1CCCC1C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030707529	0	46	0.0	-68.12	375.33	-1.82	-69.94
C[N@H+]1CCCC1C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030707529	1	46	0.0	-76.76	368.95	-2.28	-79.04
C[N@@H+]1CCOC(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030707553	1	47	0.0	-84.76	387.39	-2.47	-87.23
C[N@H+]1CCOC(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030707553	1	47	0.0	-79.56	387.51	-2.32	-81.88
CC(C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300030707711	0	55	0.0	-76.85	417.22	-0.37	-77.22
CC(C)[N@@H+]1CCCCC1C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030707713	0	55	0.0	-70.80	423.25	-0.35	-71.15
CC(C)[N@H+]1CCCCC1C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030707713	1	55	0.0	-71.49	423.10	-0.37	-71.86
CC(C)[N@@H+]1CCCC1C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030707733	0	52	0.0	-67.02	408.59	-0.67	-67.69
CC(C)[N@H+]1CCCC1C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030707733	1	52	0.0	-74.13	408.48	-0.80	-74.93
NC(=O)C1(CNC(=O)C2CC3CCCC[N@@H+]3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030707749	0	53	0.0	-69.87	417.15	-0.02	-69.89
NC(=O)C1(CNC(=O)C2CC3CCCC[N@H+]3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030707749	1	53	0.0	-76.05	418.37	-0.18	-76.23
CC(C)C1=[NH+]C=CN1CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030707768	1	50	0.0	-72.19	416.71	-0.17	-72.36
CC1=[NH+]C=CN1CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030707796	1	44	0.0	-75.58	379.40	-1.30	-76.88
CC(C[NH+]1CCOCC1)C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030707797	0	53	0.0	-82.14	419.53	-2.12	-84.26
NC(=O)C1(CNC(=O)CCC[NH+]2CCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030707813	0	55	0.0	-78.88	435.47	0.32	-78.56
CC(C)(C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300030707831	0	55	0.0	-63.85	420.29	0.20	-63.65
NC(=O)C1(CNC(=O)C2C[NH+]3CCC2CC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030707839	0	50	0.0	-76.01	392.66	-1.01	-77.02
NC(=O)C1(CNC(=O)C2CCCC3CCC[N@@H+]32)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030707879	0	53	0.0	-63.89	413.58	0.06	-63.83
NC(=O)C1(CNC(=O)C2CCCC3CCC[N@H+]32)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030707879	1	53	0.0	-73.57	406.46	-0.29	-73.86
C[C@@H]1[C@H](C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030707892	0	49	0.0	-77.16	387.86	-1.67	-78.83
C[C@@H]1[C@H](C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030707892	1	49	0.0	-77.19	393.94	-1.66	-78.85
CC[C@@H]1[C@@H](C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030707896	0	52	0.0	-78.33	405.76	-1.19	-79.52
CC[C@@H]1[C@@H](C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030707896	1	52	0.0	-75.87	413.50	-0.93	-76.80
CC[N@@H+]1CCOC(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030707905	1	50	0.0	-74.99	399.04	-1.95	-76.94
CC[N@H+]1CCOC(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030707905	1	50	0.0	-77.75	398.95	-1.95	-79.70
CC[NH+](CC)CC(F)C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030707946	0	51	0.0	-80.06	407.65	-1.11	-81.17
CC1CCC(C)[NH+]1CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708007	0	52	0.0	-73.75	408.24	-0.81	-74.56
NC(=O)C1(CNC(=O)CCC[NH+]2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708013	0	52	0.0	-78.78	419.81	-0.37	-79.15
C#CC[NH+]1CCC(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030708018	0	51	0.0	-73.64	420.18	0.03	-73.61
NC(=O)C1(CNC(=O)CC[NH+]2CCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708019	0	52	0.0	-78.97	413.98	-0.49	-79.46
CC[N@@H+]1CCCCC1C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708024	0	52	0.0	-68.29	406.88	-0.44	-68.73
CC[N@H+]1CCCCC1C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708024	1	52	0.0	-72.29	410.90	-0.66	-72.95
CC(C)C[N@@H+]1CCC(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030708038	0	55	0.0	-76.50	435.95	0.06	-76.44
CC(C)C[N@H+]1CCC(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030708038	1	55	0.0	-75.59	435.87	0.10	-75.49
C[NH+](C)C1(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300030708041	0	49	0.0	-67.13	382.75	-1.16	-68.29
CC(C)[N@@H+]1CCCC1CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708043	0	55	0.0	-61.83	416.37	-0.15	-61.98
CC(C)[N@H+]1CCCC1CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708043	1	55	0.0	-71.77	418.56	-0.80	-72.57
CC(C)[C@@H](C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030708056	0	51	0.0	-71.59	393.98	-0.52	-72.11
C[N@H+](CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030708097	0	49	0.0	-77.12	396.07	-0.94	-78.06
C[N@@H+](CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030708097	1	49	0.0	-77.32	396.22	-0.93	-78.25
CC(C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300030708151	0	55	0.0	-73.95	420.13	-0.50	-74.45
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708207	1	48	0.0	-73.51	397.55	-1.13	-74.64
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708207	1	48	0.0	-74.05	403.44	-0.58	-74.63
C[N@@H+]1CCCC1CCC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708213	0	52	0.0	-75.77	414.55	-0.51	-76.28
C[N@H+]1CCCC1CCC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708213	1	52	0.0	-79.11	410.22	-0.83	-79.94
NC(=O)C1(CNC(=O)C23CCC[NH+](CCC2)C3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708222	0	53	0.0	-72.74	406.42	-0.58	-73.32
NC(=O)C1(CNC(=O)C2CCC3CCCC[N@@H+]32)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708225	0	53	0.0	-72.80	417.54	0.13	-72.67
NC(=O)C1(CNC(=O)C2CCC3CCCC[N@H+]32)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708225	1	53	0.0	-66.50	417.49	0.16	-66.34
NC(=O)C1(CNC(=O)CCCC[NH+]2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708241	0	55	0.0	-78.79	441.30	0.41	-78.38
C[NH+]1CCC(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030708252	0	49	0.0	-79.13	395.61	-1.23	-80.36
C[NH+](C)CC1=CC(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300030708285	1	48	0.0	-87.57	409.52	-1.86	-89.43
CC1=C(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300030708286	0	47	0.0	-78.30	393.93	0.95	-77.35
C[N@@H+]1CCCCC1C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708315	0	49	0.0	-68.64	392.32	-1.20	-69.84
C[N@H+]1CCCCC1C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708315	1	49	0.0	-70.56	379.68	-1.26	-71.82
CC(C)C[N@@H+]1CCCC1C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708335	0	55	0.0	-74.84	424.10	0.47	-74.37
CC(C)C[N@H+]1CCCC1C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708335	1	55	0.0	-77.01	432.89	0.37	-76.64
NC(=O)C1(CNC(=O)C2=CN3C=[NH+]C=C3C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708430	0	44	0.0	-78.15	380.57	0.60	-77.55
CC1=[NH+]C=CN1CCCC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708438	1	50	0.0	-75.85	420.95	-0.02	-75.87
NC(=O)C1(CNC(=O)CC[NH+]2CCOCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708442	1	50	0.0	-82.28	405.24	-2.90	-85.18
CC1=C[NH+]=CN1CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708469	1	44	0.0	-76.02	379.77	-0.57	-76.59
NC(=O)C1(CNC(=O)C23CCC[NH+]2CCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708505	0	50	0.0	-64.50	394.69	-0.80	-65.30
C[NH+](C)C1CCCC(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030708527	0	55	0.0	-68.65	420.88	-0.06	-68.71
C[N@@H+]1CCC(CC(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030708530	0	49	0.0	-74.54	398.24	-1.25	-75.79
C[N@H+]1CCC(CC(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030708530	1	49	0.0	-80.31	396.41	-1.33	-81.64
CN(C)C1=CC=[NH+]C=C1C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708541	0	48	0.0	-77.31	401.29	-2.07	-79.38
CCC(C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030708546	0	48	0.0	-77.32	379.81	-1.90	-79.22
C[NH+](C)C1(CC(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030708558	0	55	0.0	-77.71	414.23	-0.46	-78.17
NC(=O)C1(CNC(=O)C2=CC3=C[NH+]=CN3C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708595	1	44	0.0	-80.87	380.10	0.69	-80.18
C[NH+](C)CCCCC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708645	0	51	0.0	-80.05	415.34	-0.78	-80.83
CC(C)C(C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030708665	0	51	0.0	-78.13	392.46	0.40	-77.73
CCC[N@H+](C)CCC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708667	0	51	0.0	-78.30	412.65	-0.91	-79.21
CCC[N@@H+](C)CCC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708667	1	51	0.0	-80.25	411.57	-0.95	-81.20
CCC[N@H+](C)CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708672	0	48	0.0	-76.89	390.29	-1.48	-78.37
CCC[N@@H+](C)CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708672	1	48	0.0	-76.90	390.28	-1.48	-78.38
NC(=O)C1(CNC(=O)C23CC[N@H+](C2)CCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708694	0	50	0.0	-79.66	391.85	-1.55	-81.21
NC(=O)C1(CNC(=O)C23CC[N@@H+](C2)CCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708694	1	50	0.0	-77.12	392.93	-1.67	-78.79
C[N@@H+]1CCC[C@@H]1C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708728	0	46	0.0	-78.88	367.81	-2.23	-81.11
C[N@H+]1CCC[C@@H]1C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708728	1	46	0.0	-75.90	375.06	-1.86	-77.76
CCCCCC[N@H+](C)CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708779	0	57	0.0	-78.03	454.78	0.87	-77.16
CCCCCC[N@@H+](C)CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708779	1	57	0.0	-80.28	453.70	0.83	-79.45
CC[NH+](CC)C(C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300030708783	0	57	0.0	-73.89	422.15	1.50	-72.39
CC[NH+](CC)CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708791	0	48	0.0	-79.03	379.79	-1.77	-80.80
CCC[N@@H+]1CCCC(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030708823	0	55	0.0	-74.19	427.46	0.31	-73.88
CCC[N@H+]1CCCC(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030708823	1	55	0.0	-72.08	428.54	0.33	-71.75
CC(C)[N@@H+]1CCOC(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030708838	0	53	0.0	-80.00	423.03	-1.28	-81.28
CC(C)[N@H+]1CCOC(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030708838	1	53	0.0	-77.08	414.37	-1.46	-78.54
CC1CC[NH+](CC(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030708866	0	52	0.0	-80.85	411.29	-0.38	-81.23
C[NH+]1CCC(OCC(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030708892	0	53	0.0	-83.12	429.93	-0.83	-83.95
C[NH+](C)CC1(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030708902	0	49	0.0	-69.03	389.89	-0.03	-69.06
CC(C)[NH+]1CCC(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030708971	0	55	0.0	-76.50	429.93	-0.04	-76.54
C[NH+]1CCC(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030708988	0	49	0.0	-79.13	395.61	-1.23	-80.36
CC(C)[C@H](C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030709006	0	51	0.0	-76.28	399.33	-0.67	-76.95
CCC(C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030709037	0	54	0.0	-74.19	415.96	-0.62	-74.81
CC[N@H+](C)CCC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709091	0	48	0.0	-79.55	390.07	-1.70	-81.25
CC[N@@H+](C)CCC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709091	1	48	0.0	-77.58	391.15	-1.67	-79.25
CC1CCC[N@@H+]1CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709145	0	49	0.0	-68.96	387.33	-1.32	-70.28
CC1CCC[N@H+]1CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709145	1	49	0.0	-67.66	388.34	-1.38	-69.04
CC1CC[N@H+](CC(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030709147	0	49	0.0	-75.86	396.42	-1.20	-77.06
CC1CC[N@@H+](CC(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030709147	1	49	0.0	-75.81	396.14	-1.13	-76.94
CC1(C)CC[N@H+](CC(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030709151	0	52	0.0	-77.72	414.74	-0.59	-78.31
CC1(C)CC[N@@H+](CC(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030709151	1	52	0.0	-67.41	415.84	-0.53	-67.94
C[N@H+](CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030709152	0	54	0.0	-76.36	420.60	-0.40	-76.76
C[N@@H+](CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030709152	1	54	0.0	-69.16	420.48	-0.20	-69.36
CC[C@@H](C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030709160	0	48	0.0	-69.75	377.73	-1.68	-71.43
C[NH+]1CCC(O)(CC(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030709310	0	53	0.0	-72.65	417.19	-2.45	-75.10
C[NH+](C)CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709321	0	42	0.0	-79.52	349.97	-2.91	-82.43
NC(=O)C1(CNC(=O)C[NH+]2CCC(CO)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709325	1	53	0.0	-79.77	423.22	-3.66	-83.43
NC(=O)C1(CNC(=O)C[NH+]2CCCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709326	0	52	0.0	-78.62	401.05	-0.86	-79.48
CN1C=C[N+](CC(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030709330	0	44	0.0	-76.64	381.20	0.60	-76.04
C[N@@H+]1CCCC(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030709337	0	49	0.0	-72.30	394.20	-1.16	-73.46
C[N@H+]1CCCC(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030709337	1	49	0.0	-66.85	387.96	-0.94	-67.79
NC(=O)C1(CNC(=O)C2CCC[N@@H+]2C2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709342	0	50	0.0	-73.75	407.48	-0.40	-74.15
NC(=O)C1(CNC(=O)C2CCC[N@H+]2C2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709342	1	50	0.0	-66.69	402.13	-0.42	-67.11
CC(C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030709368	1	46	0.0	-77.98	378.33	-1.83	-79.81
CCC(CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030709373	0	54	0.0	-81.98	424.74	-0.31	-82.29
C[NH+](C)CC(C)(C)C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709380	0	51	0.0	-77.72	395.61	-1.16	-78.88
NC(=O)C1(CNC(=O)C23CC(C2)C[N@@H+]3C2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709397	0	51	0.0	-78.82	399.04	1.01	-77.81
NC(=O)C1(CNC(=O)C23CC(C2)C[N@H+]3C2CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709397	1	51	0.0	-73.88	408.78	0.36	-73.52
NC(=O)C1(CNC(=O)C[NH+]2CCC(O)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709405	1	50	0.0	-81.54	402.64	-4.32	-85.86
C[N@H+](CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030709406	0	46	0.0	-76.44	379.24	-1.52	-77.96
C[N@@H+](CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030709406	1	46	0.0	-74.23	380.33	-1.48	-75.71
CC(C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300030709407	1	54	0.0	-78.34	423.51	-3.03	-81.37
C[NH+]1CC(CC(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030709425	0	46	0.0	-79.38	381.42	-2.10	-81.48
NC(=O)C1(CNC(=O)C2CC[N@@H+]2C2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709429	0	53	0.0	-69.97	423.71	0.16	-69.81
NC(=O)C1(CNC(=O)C2CC[N@H+]2C2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709429	1	53	0.0	-75.72	421.68	-0.11	-75.83
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709437	0	52	0.0	-65.41	411.49	-1.08	-66.49
CC(C)(C)[N@H+]1CCC1C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709437	1	52	0.0	-72.19	412.98	-1.14	-73.33
C[C@@H](C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030709448	0	45	0.0	-75.02	368.24	-2.45	-77.47
CCC1CCC[N@H+](CC(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030709486	0	55	0.0	-79.06	430.95	0.21	-78.85
CCC1CCC[N@@H+](CC(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030709486	1	55	0.0	-76.53	431.87	0.24	-76.29
C[NH+](C)CC1=CC=C(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030709493	0	50	0.0	-80.51	417.02	-1.45	-81.96
NC(=O)C1(CNC(=O)CN2C=CSC2=[NH2+])CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709534	0	42	0.0	-75.00	377.04	-2.73	-77.73
C[N@H+](CCO)CCC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709544	0	49	0.0	-79.50	400.42	-4.91	-84.41
C[N@@H+](CCO)CCC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709544	1	49	0.0	-79.23	400.30	-4.93	-84.16
C[C@@H](C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030709545	0	45	0.0	-75.02	368.24	-2.45	-77.47
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709549	0	49	0.0	-76.65	382.56	-1.40	-78.05
C[N@H+]1CCCC[C@@H]1C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709549	1	49	0.0	-69.23	392.47	-1.17	-70.40
CC1CN2CC[N@@H+]1CC2C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709557	0	52	0.0	-79.29	402.35	-3.90	-83.19
CC1CN2CC[N@H+]1CC2C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709557	1	52	0.0	-79.50	402.85	-3.86	-83.36
NC(=O)C1(CNC(=O)CC2=CC3=C[NH+]=CN3C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709599	0	47	0.0	-78.39	404.38	1.26	-77.13
C[N@H+](CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300030709621	0	50	0.0	-72.82	410.29	-0.53	-73.35
C[N@@H+](CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300030709621	1	50	0.0	-84.59	409.31	-0.70	-85.29
NC(=O)C1(CNC(=O)C[NH+]2CCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709622	1	43	0.0	-78.97	359.62	-2.47	-81.44
C[N@@H+]1CCC(=CC(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030709651	0	47	0.0	-79.87	389.75	-1.31	-81.18
C[N@H+]1CCC(=CC(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030709651	1	47	0.0	-80.18	388.94	-1.32	-81.50
C[NH+](C)CCOCC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709684	0	49	0.0	-78.70	405.84	-1.85	-80.55
CCCCC[N@H+](C)CCC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709689	0	57	0.0	-81.11	454.56	0.61	-80.50
CCCCC[N@@H+](C)CCC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709689	1	57	0.0	-81.19	454.56	0.61	-80.58
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030709698	0	53	0.0	-78.74	428.60	-0.93	-79.67
C=CCC(C)(C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030709705	0	52	0.0	-77.74	399.75	-1.05	-78.79
C[S+](C)CCC(O)C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709710	0	48	0.0	-79.63	414.82	-3.26	-82.89
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709735	0	50	0.0	-75.69	396.84	-4.72	-80.41
CN1CC[N@H+](C)CC(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030709745	0	54	0.0	-76.71	421.03	-2.72	-79.43
CN1CC[N@@H+](C)CC(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030709745	1	54	0.0	-76.71	421.03	-2.72	-79.43
CC(C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300030709746	0	53	0.0	-74.20	418.58	-3.73	-77.93
NC(=O)C1(CNC(=O)CN2CCC(CO)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709755	0	53	0.0	-79.77	423.22	-3.66	-83.43
NC(=O)C1(CNC(=O)C[NH+]2CCC(CO)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709755	1	53	0.0	-79.77	423.22	-3.66	-83.43
C[N@@H+]1CCCC(O)(CC(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030709764	0	53	0.0	-77.45	407.17	-2.59	-80.04
C[N@H+]1CCCC(O)(CC(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030709764	1	53	0.0	-77.45	407.17	-2.59	-80.04
CC1CN(CC(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030709767	0	46	0.0	-72.06	379.70	-1.61	-73.67
CC1C[NH+](CC(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030709767	1	46	0.0	-72.06	379.70	-1.61	-73.67
CN(CCO)CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709793	0	46	0.0	-79.36	378.06	-5.49	-84.85
C[N@H+](CCO)CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709793	1	46	0.0	-68.24	379.08	-5.33	-73.57
C[N@@H+](CCO)CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709793	1	46	0.0	-68.24	379.08	-5.33	-73.57
NC(=O)C1(CNC(=O)C2C[N@@H+]3CCN2CCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709815	0	52	0.0	-82.85	396.38	-3.03	-85.88
NC(=O)C1(CNC(=O)C2C[N@H+]3CCN2CCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709815	1	52	0.0	-82.85	396.38	-3.03	-85.88
CC[N@@H+]1CCCC(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030709821	0	52	0.0	-75.27	413.20	-0.60	-75.87
CC[N@H+]1CCCC(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030709821	1	52	0.0	-75.27	413.20	-0.60	-75.87
CC(CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030709823	0	51	0.0	-81.06	405.46	-0.85	-81.91
CC[N@H+](C)CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709833	0	45	0.0	-78.66	367.71	-2.26	-80.92
NC(=O)C1(CNC(=O)C23CCC[N@@H+]2CCCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709855	0	53	0.0	-69.09	389.09	1.11	-67.98
NC(=O)C1(CNC(=O)C23CCC[N@H+]2CCCC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709855	1	53	0.0	-78.58	390.58	1.19	-77.39
NC(=O)C1(CNC(=O)C23CCC[N@@H+]2CC=CC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709860	0	51	0.0	-70.32	388.70	0.31	-70.01
NC(=O)C1(CNC(=O)C23CCC[N@H+]2CC=CC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709860	1	51	0.0	-77.68	394.80	-0.32	-78.00
CC[N@H+](CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030709880	0	49	0.0	-73.52	399.91	-0.84	-74.36
CC[N@@H+](CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030709880	1	49	0.0	-77.97	394.29	-0.83	-78.80
CC[NH+](CC)CCC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709895	0	51	0.0	-80.44	401.98	-1.19	-81.63
C[NH+]1CCC(=CC(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030709906	0	50	0.0	-80.58	403.85	-0.56	-81.14
CC1(O)CC[N@H+](CC(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030709940	0	50	0.0	-77.02	406.81	-4.49	-81.51
CC1(O)CC[N@@H+](CC(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030709940	1	50	0.0	-71.83	405.57	-4.36	-76.19
C[NH+](C)CC=CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709947	0	46	0.0	-81.71	385.93	-1.72	-83.43
CC(OCC[NH+](C)C)C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709968	0	52	0.0	-78.69	425.63	-1.16	-79.85
C[NH+](C)CCOCCC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709976	0	52	0.0	-78.04	426.80	-2.12	-80.16
COCC[N@H+](C)CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709977	1	49	0.0	-67.77	401.34	-2.94	-70.71
COCC[N@@H+](C)CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709977	1	49	0.0	-79.53	400.31	-3.09	-82.62
C[NH+](C)C1(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030710006	0	52	0.0	-85.27	387.75	0.80	-84.47
CC(CCC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030710009	0	51	0.0	-78.70	406.75	-1.15	-79.85
CC[N@@H+]1CCC1C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710016	1	46	0.0	-74.88	375.23	-2.17	-77.05
CC[N@H+]1CCC1C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710016	1	46	0.0	-75.96	374.28	-2.20	-78.16
CC(C)[N@@H+]1CCCC(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030710026	0	55	0.0	-62.26	422.80	0.21	-62.05
CC(C)[N@H+]1CCCC(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030710026	1	55	0.0	-70.14	428.54	0.00	-70.14
NC(=O)C1(CNC(=O)C[N@@H+]2CCCC2CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710038	0	50	0.0	-70.51	402.84	-4.16	-74.67
NC(=O)C1(CNC(=O)C[N@H+]2CCCC2CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710038	1	50	0.0	-69.95	404.48	-4.23	-74.18
NC(=O)C1(CNC(=O)C2CC3CCCC[N@@H+]3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710060	0	53	0.0	-69.87	417.15	-0.02	-69.89
NC(=O)C1(CNC(=O)C2CC3CCCC[N@H+]3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710060	1	53	0.0	-76.05	418.37	-0.18	-76.23
C[NH+]1CCC(C)(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030710066	0	52	0.0	-75.79	408.14	-0.78	-76.57
C[NH+](C)CC1=CNC(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030710072	0	50	0.0	-81.12	416.34	-1.59	-82.71
CC(C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300030710086	1	53	0.0	-77.63	420.76	-3.94	-81.57
C=CCC(C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030710094	0	49	0.0	-78.88	395.07	-1.16	-80.04
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710104	0	52	0.0	-75.98	415.39	-0.76	-76.74
C[N@H+]1CC(C)(C)CC1C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710104	1	52	0.0	-76.01	415.68	-0.70	-76.71
C[NH+](C)CCCCCC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710108	0	54	0.0	-79.48	436.84	0.01	-79.47
NC(=O)C1(CNC(=O)C[NH+]2CC3CC3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710116	0	47	0.0	-76.50	386.45	-1.00	-77.50
CC1C[N@@H+]2CCN1C(C(=O)NCC1(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030710142	0	52	0.0	-71.59	393.26	-3.27	-74.86
CC1C[N@H+]2CCN1C(C(=O)NCC1(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030710142	1	52	0.0	-82.05	402.42	-3.78	-85.83
CCCC(C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030710143	0	51	0.0	-78.98	400.13	-1.07	-80.05
C[NH+](C)C(C)(C)C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710147	0	48	0.0	-76.00	378.55	-1.70	-77.70
C[N@@H+]1CCCCC1C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710185	0	49	0.0	-68.64	392.32	-1.20	-69.84
C[N@H+]1CCCCC1C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710185	1	49	0.0	-70.56	379.68	-1.26	-71.82
C[N@H+]1CC=C(CC(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030710218	0	50	0.0	-71.66	409.30	-0.46	-72.12
C[N@@H+]1CC=C(CC(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030710218	1	50	0.0	-70.26	409.30	-0.46	-70.72
NC(=O)C1(CNC(=O)CC2([NH+]3CCCC3)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710227	0	53	0.0	-75.30	414.98	-0.18	-75.48
C[NH+](C)CC1=CC=C(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030710271	1	49	0.0	-79.44	414.16	-1.15	-80.59
NC(=O)C1(CNC(=O)C=CC[NH+]2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710287	0	50	0.0	-78.79	413.36	-0.48	-79.27
NC(=O)C1(CNC(=O)C2CC[NH+](C3CC3)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710307	0	53	0.0	-78.16	419.39	-0.05	-78.21
C[NH+](C)C1(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030710326	0	46	0.0	-84.03	368.66	-0.44	-84.47
NC(=O)C1(CNC(=O)CC[NH+]2CCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710328	0	49	0.0	-79.02	398.31	-1.19	-80.21
NC(=O)C1(CNC(=O)C2C[NH+]3CCN2CC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710362	0	49	0.0	-80.32	387.28	-4.41	-84.73
C[N@@H+]1CC2CC1(C(=O)NCC1(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030710372	0	47	0.0	-65.05	383.52	-1.64	-66.69
C[N@H+]1CC2CC1(C(=O)NCC1(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030710372	1	47	0.0	-79.37	378.54	-1.52	-80.89
NC(=O)C1(CNC(=O)C[N@@H+]2CC3CCC2C3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710384	0	50	0.0	-74.17	397.43	-0.78	-74.95
NC(=O)C1(CNC(=O)C[N@H+]2CC3CCC2C3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710384	1	50	0.0	-74.97	393.93	-0.98	-75.95
NC(=O)C1(CNC(=O)C=C2C[NH+]3CCC2CC3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710424	0	51	0.0	-77.17	406.11	-0.53	-77.70
NC(=O)C1(CNC(=O)C[N@@H+]2CC3C=CC2C3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710434	1	48	0.0	-76.54	389.15	-0.86	-77.40
NC(=O)C1(CNC(=O)C[N@H+]2CC3C=CC2C3)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710434	1	48	0.0	-74.32	389.84	-0.94	-75.26
CC[NH+]1CCN(CC(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030710464	0	54	0.0	-76.59	426.66	-2.74	-79.33
CC(C[NH+](C)C)C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710480	0	48	0.0	-79.36	388.38	-1.64	-81.00
C[N@@H+]1CCCCC1CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710546	0	52	0.0	-73.77	401.72	-0.87	-74.64
C[N@H+]1CCCCC1CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710546	1	52	0.0	-77.20	409.74	-0.70	-77.90
CC1=C2C=C(C(=O)NCC3(C(N)=O)CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030710562	1	47	0.0	-77.03	402.75	1.18	-75.85
CC(C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300030710563	1	49	0.0	-74.39	399.60	-1.19	-75.58
CC1CC[N@@H+]1CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710566	1	46	0.0	-74.67	376.20	-2.06	-76.73
CC1CC[N@H+]1CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710566	1	46	0.0	-70.50	380.97	-1.69	-72.19
C[NH+](C)CC(O)CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710570	0	49	0.0	-82.54	402.67	-3.91	-86.45
CC1C[N@H+](C)CC(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030710596	1	50	0.0	-80.27	401.00	-1.89	-82.16
CC1C[N@@H+](C)CC(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030710596	1	50	0.0	-85.13	408.57	-1.73	-86.86
NC(=O)C1(CNC(=O)CC[NH+]2CCC(O)CC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710605	0	53	0.0	-82.83	424.61	-3.87	-86.70
CCC[N@@H+]1CCCCC1C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710607	0	55	0.0	-67.95	430.33	0.19	-67.76
CCC[N@H+]1CCCCC1C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710607	1	55	0.0	-66.02	428.20	0.34	-65.68
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030710675	0	49	0.0	-76.30	400.51	-1.14	-77.44
CC(CC[NH+](C)C)C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710683	0	51	0.0	-79.55	410.01	-1.03	-80.58
C[N@H+](CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300030710703	0	53	0.0	-73.35	421.62	-3.48	-76.83
C[N@@H+](CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300030710703	1	53	0.0	-75.90	421.89	-3.66	-79.56
C#CC[N@H+]1CCCCC1C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710709	1	51	0.0	-75.60	407.94	-0.19	-75.79
C#CC[N@@H+]1CCCCC1C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710709	1	51	0.0	-73.92	416.55	-0.09	-74.01
C[NH+]1CCN(CC(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030710712	1	51	0.0	-78.09	409.55	-3.32	-81.41
CC[NH+]1CCN(CC(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030710721	0	54	0.0	-76.59	426.66	-2.74	-79.33
NC(=[NH2+])SCC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710745	0	40	0.0	-79.35	358.50	-6.04	-85.39
CC[N@@H+]1CCOCC1CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710778	0	53	0.0	-78.91	413.21	-2.51	-81.42
C[NH+](C)C1CCC(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030710793	0	55	0.0	-78.84	429.88	-0.05	-78.89
C[NH+](C)CCC1(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030710794	0	52	0.0	-82.78	412.26	0.42	-82.36
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030710796	0	55	0.0	-59.20	423.75	-0.11	-59.31
C[N@@H+]1CC=CCC1CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710797	0	50	0.0	-74.43	396.14	-0.93	-75.36
C[N@H+]1CC=CCC1CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710797	1	50	0.0	-74.43	396.14	-0.93	-75.36
C[C@@H](OCC[NH+](C)C)C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710818	0	52	0.0	-68.00	423.04	-0.92	-68.92
C[NH+]1C2CCC1CC(C(=O)NCC1(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030710843	0	53	0.0	-76.56	388.12	-0.43	-76.99
CC(C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300030710945	1	50	0.0	-79.60	409.11	-0.91	-80.51
CCC1C[NH+](CC(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030710947	1	49	0.0	-77.27	402.97	-1.00	-78.27
NC(=O)C1(CNC(=O)C2([NH+]3CCCC3)CCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710949	0	53	0.0	-80.95	399.37	1.27	-79.68
C[N@@H+]1CCC[C@H]1C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710957	0	46	0.0	-73.52	377.04	-1.83	-75.35
C[N@H+]1CCC[C@H]1C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710957	1	46	0.0	-77.09	369.41	-2.33	-79.42
NC(=O)C1(CNC(=O)CC[N@@H+]2CCC(F)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710964	0	49	0.0	-77.58	403.25	-0.99	-78.57
NC(=O)C1(CNC(=O)CC[N@H+]2CCC(F)C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710964	1	49	0.0	-81.04	405.16	-1.05	-82.09
COC1C[N@H+](C)C(C)(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030710972	0	53	0.0	-79.49	408.99	-1.52	-81.01
COC1C[N@@H+](C)C(C)(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030710972	1	53	0.0	-77.59	420.38	-2.46	-80.05
NC(=O)C1(CNC(=O)CC[NH+]2CCCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710980	0	55	0.0	-80.60	423.99	-0.29	-80.89
NC(=O)C1(CNC(=O)C[NH+]2CCCCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710982	0	49	0.0	-76.14	392.78	-1.01	-77.15
CC1C(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030710992	0	49	0.0	-78.26	392.00	-1.46	-79.72
CC1C(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030710992	1	49	0.0	-78.82	387.60	-1.72	-80.54
C[N@@H+]1CCCCC1CCC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710994	0	55	0.0	-70.21	432.65	0.12	-70.09
C[N@H+]1CCCCC1CCC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710994	1	55	0.0	-76.96	431.41	0.06	-76.90
NC(=O)C1(CNC(=O)C2CC[N@@H+]3CCOCC23)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030711019	0	51	0.0	-74.13	407.97	-2.50	-76.63
NC(=O)C1(CNC(=O)C2CC[N@H+]3CCOCC23)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030711019	1	51	0.0	-76.76	408.57	-2.48	-79.24
CC1=[NH+]C=C2C=CC(C(=O)NCC3(C(N)=O)CN(C(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300030711024	0	47	0.0	-73.94	401.99	0.38	-73.56
C[N@@H+]1CCOCC1CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030711037	1	50	0.0	-76.81	393.10	-3.24	-80.05
C[N@H+]1CCOCC1CC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030711037	1	50	0.0	-76.40	393.53	-3.22	-79.62
CC1=C(C)[NH+]=C(CCC(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030711044	1	50	0.0	-73.88	420.21	-1.63	-75.51
C[N@@H+]1CCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030711214	0	46	0.0	-76.32	377.67	-1.86	-78.18
C[N@H+]1CCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030711214	1	46	0.0	-73.62	376.48	-1.75	-75.37
C[N@@H+]1CCOC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030711240	1	47	0.0	-96.43	387.84	-2.41	-98.84
C[N@H+]1CCOC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030711240	1	47	0.0	-79.58	377.01	-2.51	-82.09
CC1=[NH+]C=CN1CCCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030711400	1	50	0.0	-78.32	422.87	0.13	-78.19
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[NH+]2CCOCC2)C1	REAL300030711404	1	50	0.0	-84.02	407.17	-2.77	-86.79
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300030711427	0	50	0.0	-62.66	393.14	-1.14	-63.80
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300030711435	1	44	0.0	-70.24	376.14	0.43	-69.81
C[NH+](C)C1CCCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030711486	0	55	0.0	-77.53	428.10	-0.02	-77.55
C[N@@H+]1CCC(CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030711489	0	49	0.0	-81.35	397.60	-1.04	-82.39
C[N@H+]1CCC(CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030711489	1	49	0.0	-72.63	399.32	-1.17	-73.80
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030711500	0	48	0.0	-90.05	398.80	-2.54	-92.59
CCC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1)[NH+](C)C	REAL300030711505	0	48	0.0	-66.20	384.95	-1.56	-67.76
C[NH+](C)CCCCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030711564	0	51	0.0	-70.11	417.50	-0.51	-70.62
CC(C)C(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1)[NH+](C)C	REAL300030711586	0	51	0.0	-66.90	398.79	-1.13	-68.03
CCC[N@H+](C)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030711588	0	51	0.0	-82.39	413.49	-0.84	-83.23
CCC[N@@H+](C)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030711588	1	51	0.0	-68.81	413.78	-0.68	-69.49
CCC[N@H+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030711593	0	48	0.0	-67.77	392.22	-1.37	-69.14
CCC[N@@H+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030711593	1	48	0.0	-78.40	391.12	-1.37	-79.77
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300030711615	0	50	0.0	-87.12	388.22	-1.84	-88.96
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300030711615	1	50	0.0	-82.95	388.92	-1.79	-84.74
CCCCCC[N@H+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030711641	0	57	0.0	-68.93	456.71	0.98	-67.95
CCCCCC[N@@H+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030711641	1	57	0.0	-79.61	455.63	0.97	-78.64
CC[NH+](CC)C(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1)C(C)C	REAL300030711645	0	57	0.0	-62.91	426.48	-0.06	-62.97
CC1CC[NH+](CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)CC1	REAL300030711675	0	52	0.0	-66.52	414.77	-0.18	-66.70
C[NH+]1CCC(OCC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)CC1	REAL300030711701	0	53	0.0	-73.91	432.06	-0.51	-74.42
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300030711741	0	53	0.0	-65.62	419.18	-0.02	-65.64
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300030711741	1	53	0.0	-78.66	419.53	-0.06	-78.72
C[NH+](C)CC1(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)CC1	REAL300030711751	0	49	0.0	-70.00	402.31	-1.08	-71.08
CC(C)[NH+]1CCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)CC1	REAL300030711762	0	55	0.0	-70.47	425.61	-0.37	-70.84
CC[N@H+](C)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030711782	0	48	0.0	-68.02	392.28	-1.44	-69.46
CC[N@@H+](C)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030711782	1	48	0.0	-81.62	392.00	-1.57	-83.19
CC(C)(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1)[NH+]1CCCCC1	REAL300030711806	0	55	0.0	-79.04	414.66	0.25	-78.79
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300030711814	0	50	0.0	-89.38	391.94	-1.07	-90.45
C[NH+]1CCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)CC1	REAL300030711885	0	49	0.0	-73.11	394.95	-1.32	-74.43
CC(C)[C@H](C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1)[NH+](C)C	REAL300030711903	0	51	0.0	-75.74	396.48	-0.98	-76.72
CC[NH+](CC)CC(F)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030711987	0	51	0.0	-66.45	414.78	-0.74	-67.19
CC(C)C[N@@H+]1CCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030712017	0	55	0.0	-68.03	434.98	0.10	-67.93
CC(C)C[N@H+]1CCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030712017	1	55	0.0	-69.50	437.53	0.14	-69.36
C[NH+](C)C1(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)CCC1	REAL300030712020	0	49	0.0	-84.10	382.01	-1.59	-85.69
CCC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1)[NH+](CC)CC	REAL300030712051	0	54	0.0	-62.01	416.44	-0.38	-62.39
CC1CCC[N@@H+]1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030712071	0	49	0.0	-73.89	390.23	-1.28	-75.17
CC1CCC[N@H+]1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030712071	1	49	0.0	-76.35	398.21	-1.04	-77.39
CC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1)[NH+]1CCCCCC1	REAL300030712121	0	55	0.0	-74.79	419.81	-0.39	-75.18
CC(C)[N@@H+]1CCCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030712123	0	55	0.0	-73.19	423.43	-0.29	-73.48
CC(C)[N@H+]1CCCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030712123	1	55	0.0	-61.49	416.37	-0.34	-61.83
CC(C)[N@@H+]1CCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030712143	0	52	0.0	-79.20	403.38	-0.42	-79.62
CC(C)[N@H+]1CCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030712143	1	52	0.0	-74.00	411.85	-0.70	-74.70
CC(C)[N@@H+]1CCCC1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030712149	0	55	0.0	-73.53	423.07	-0.63	-74.16
CC(C)[N@H+]1CCCC1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030712149	1	55	0.0	-73.47	420.91	-0.68	-74.15
CC(C)[C@@H](C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1)[NH+](C)C	REAL300030712162	0	51	0.0	-76.55	393.72	-0.96	-77.51
CC1CC[N@H+](CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030712181	0	49	0.0	-78.42	399.43	-0.97	-79.39
CC1CC[N@@H+](CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030712181	1	49	0.0	-78.86	398.25	-1.08	-79.94
CC1(C)CC[N@H+](CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030712185	0	52	0.0	-66.29	418.86	-0.46	-66.75
CC1(C)CC[N@@H+](CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030712185	1	52	0.0	-77.67	416.71	-0.56	-78.23
C[N@H+](CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1)CC(C)(C)C	REAL300030712186	0	54	0.0	-78.41	418.87	-0.39	-78.80
C[N@@H+](CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1)CC(C)(C)C	REAL300030712186	1	54	0.0	-78.39	420.73	-0.23	-78.62
CC[C@@H](C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1)[NH+](C)C	REAL300030712194	0	48	0.0	-75.81	382.46	-1.47	-77.28
CC1=[NH+]C=CN1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030712375	1	44	0.0	-75.03	381.29	-1.19	-76.22
CC(C[NH+]1CCOCC1)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030712376	0	53	0.0	-79.59	424.44	-2.18	-81.77
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC[NH+]2CCCCC2)C1	REAL300030712392	0	55	0.0	-81.54	437.40	0.44	-81.10
C[NH+](C)CC1=CC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)=NO1	REAL300030712407	1	48	0.0	-83.31	407.69	-1.64	-84.95
CC1=C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C=CC2=C[NH+]=CN21	REAL300030712408	0	47	0.0	-81.16	401.20	1.03	-80.13
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030712440	1	50	0.0	-73.94	417.65	-0.06	-74.00
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300030712471	0	53	0.0	-75.57	403.07	-0.57	-76.14
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300030712471	1	53	0.0	-70.15	411.75	-0.03	-70.18
CC[N@@H+]1CCOC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030712487	1	50	0.0	-80.96	396.85	-1.91	-82.87
CC[N@H+]1CCOC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030712487	1	50	0.0	-79.43	395.38	-1.85	-81.28
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300030712536	0	44	0.0	-77.76	375.25	0.43	-77.33
CC1=C[NH+]=CN1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030712541	1	44	0.0	-79.16	380.61	-0.50	-79.66
C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)CC[N@@H+]1C	REAL300030712554	0	49	0.0	-80.13	386.79	-1.34	-81.47
C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)CC[N@H+]1C	REAL300030712554	1	49	0.0	-67.47	391.75	-1.26	-68.73
CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)CC[N@@H+]1C	REAL300030712558	0	52	0.0	-80.72	406.39	-1.03	-81.75
CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)CC[N@H+]1C	REAL300030712558	1	52	0.0	-79.82	410.57	-0.73	-80.55
CC1CCC(C)[NH+]1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030712569	0	52	0.0	-74.78	408.94	-0.79	-75.57
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC[NH+]2CCCC2)C1	REAL300030712575	0	52	0.0	-81.27	420.13	-0.36	-81.63
C#CC[NH+]1CCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)CC1	REAL300030712581	0	51	0.0	-86.80	417.07	-0.14	-86.94
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[NH+]2CCCCC2)C1	REAL300030712582	0	52	0.0	-80.80	415.45	-0.39	-81.19
CC[N@@H+]1CCCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030712588	0	52	0.0	-60.92	412.37	-0.50	-61.42
CC[N@H+]1CCCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030712588	1	52	0.0	-72.17	410.40	-0.44	-72.61
C[NH+](C)C1(CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)CCCC1	REAL300030712625	0	55	0.0	-82.30	415.42	-0.21	-82.51
C[N@H+](CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1)C1CCC1	REAL300030712758	0	49	0.0	-66.17	399.08	-0.79	-66.96
C[N@@H+](CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1)C1CCC1	REAL300030712758	1	49	0.0	-76.42	398.13	-0.79	-77.21
CC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1)[NH+]1C(C)CCC1C	REAL300030712780	0	55	0.0	-61.42	422.81	-0.39	-61.81
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300030712792	0	55	0.0	-82.40	443.23	0.53	-81.87
C[NH+]1CCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)CC1	REAL300030712803	0	49	0.0	-73.11	394.95	-1.32	-74.43
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030712841	0	46	0.0	-76.26	370.99	-2.32	-78.58
C[N@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030712841	1	46	0.0	-74.15	374.26	-1.72	-75.87
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030712863	1	48	0.0	-63.46	398.24	-1.09	-64.55
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030712863	1	48	0.0	-78.03	404.51	-0.55	-78.58
C[N@@H+]1CCCC1CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030712869	0	52	0.0	-78.96	412.03	-0.75	-79.71
C[N@H+]1CCCC1CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030712869	1	52	0.0	-69.68	414.77	-0.74	-70.42
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300030712878	0	53	0.0	-80.38	402.76	-0.96	-81.34
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300030712881	0	53	0.0	-75.09	411.03	-0.31	-75.40
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300030712881	1	53	0.0	-62.73	419.95	0.10	-62.63
CCC[N@@H+]1CCCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030712946	0	55	0.0	-64.75	424.72	0.25	-64.50
CCC[N@H+]1CCCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030712946	1	55	0.0	-69.05	433.81	0.06	-68.99
CC(C)[N@@H+]1CCOC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030712961	0	53	0.0	-83.10	414.18	-1.46	-84.56
CC(C)[N@H+]1CCOC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030712961	1	53	0.0	-69.50	419.71	-1.32	-70.82
C[N@@H+]1CCCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030712984	0	49	0.0	-75.60	381.46	-1.56	-77.16
C[N@H+]1CCCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030712984	1	49	0.0	-65.60	382.57	-1.53	-67.13
CC(C)C[N@@H+]1CCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030713005	0	55	0.0	-75.78	435.90	0.39	-75.39
CC(C)C[N@H+]1CCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030713005	1	55	0.0	-74.13	427.74	-0.10	-74.23
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300030713020	0	53	0.0	-68.10	425.82	-3.48	-71.58
CC1C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)CC[N@@H+]1C	REAL300030713061	0	49	0.0	-80.89	395.77	-1.49	-82.38
CC1C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)CC[N@H+]1C	REAL300030713061	1	49	0.0	-81.66	393.68	-1.18	-82.84
C[N@@H+]1CCCCC1CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030713063	0	55	0.0	-76.63	431.41	0.34	-76.29
C[N@H+]1CCCCC1CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030713063	1	55	0.0	-75.56	431.64	0.28	-75.28
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030713148	0	52	0.0	-74.40	411.59	-1.04	-75.44
CC(C)(C)[N@H+]1CCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030713148	1	52	0.0	-65.04	397.78	-1.84	-66.88
C[C@@H](C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1)[NH+](C)C	REAL300030713166	0	45	0.0	-77.96	370.49	-2.38	-80.34
C=CCC(C)(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1)[NH+](C)C	REAL300030713182	0	52	0.0	-61.61	396.79	-1.26	-62.87
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[NH+]2CCCC2)C1	REAL300030713204	0	49	0.0	-81.01	400.23	-1.07	-82.08
C[N@H+](CCO)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030713214	1	46	0.0	-79.75	379.98	-5.36	-85.11
C[N@@H+](CCO)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030713214	1	46	0.0	-68.17	381.05	-5.34	-73.51
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300030713249	0	52	0.0	-89.73	395.54	-3.03	-92.76
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300030713249	1	52	0.0	-87.50	392.81	-3.12	-90.62
CC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1)[NH+]1CCSCC1	REAL300030713269	1	50	0.0	-67.12	405.56	-0.96	-68.08
C[N@H+]1CC=C(CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)CC1	REAL300030713300	0	50	0.0	-76.04	410.70	-0.32	-76.36
C[N@@H+]1CC=C(CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)CC1	REAL300030713300	1	50	0.0	-76.71	410.86	-0.38	-77.09
C[S+](C)CCC(O)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030713315	0	48	0.0	-63.46	412.67	-3.19	-66.65
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030713333	0	50	0.0	-75.49	397.88	-5.13	-80.62
C[N@H+]1CC(O)CC1(C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030713333	1	50	0.0	-75.87	386.59	-5.26	-81.13
CN1CC[N@H+](C)CC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030713343	0	54	0.0	-81.96	425.41	-2.66	-84.62
CN1CC[N@@H+](C)CC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030713343	1	54	0.0	-66.45	425.30	-3.20	-69.65
CC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1)[N@@H+]1CCCC(O)C1	REAL300030713344	0	53	0.0	-76.92	421.17	-3.65	-80.57
CC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1)[N@H+]1CCCC(O)C1	REAL300030713344	1	53	0.0	-79.12	421.61	-3.67	-82.79
C[N@@H+]1CCCC(O)(CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030713373	0	53	0.0	-79.49	419.36	-2.31	-81.80
C[N@H+]1CCCC(O)(CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030713373	1	53	0.0	-73.49	421.76	-2.26	-75.75
CC1C[NH+](CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030713377	1	46	0.0	-80.38	383.95	-1.68	-82.06
CC[N@@H+]1CCCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030713383	0	52	0.0	-62.37	404.54	-0.39	-62.76
CC[N@H+]1CCCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030713383	1	52	0.0	-68.02	412.07	-0.72	-68.74
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=CC=C[NH+]=C2N)C1	REAL300030713389	0	45	0.0	-74.03	386.13	-2.98	-77.01
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300030713400	0	50	0.0	-62.65	402.83	-0.86	-63.51
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300030713400	1	50	0.0	-63.76	404.45	-0.44	-64.20
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300030713440	0	50	0.0	-84.75	412.33	-0.52	-85.27
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300030713461	0	53	0.0	-83.17	421.24	0.05	-83.12
CC[N@H+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030713504	0	45	0.0	-78.15	369.62	-2.11	-80.26
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2CC3C=CC2C3)C1	REAL300030713552	0	48	0.0	-64.57	391.46	-0.68	-65.25
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300030713552	1	48	0.0	-78.07	392.15	-0.78	-78.85
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300030713552	1	48	0.0	-78.07	392.15	-0.78	-78.85
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300030713669	0	53	0.0	-71.50	397.82	-0.59	-72.09
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[N@H+]2CCCC3)C1	REAL300030713669	1	53	0.0	-71.50	397.82	-0.59	-72.09
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300030713676	0	51	0.0	-64.41	397.78	-0.84	-65.25
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300030713676	1	51	0.0	-64.41	397.78	-0.84	-65.25
CC(OCC[NH+](C)C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030713686	0	52	0.0	-68.59	423.25	-1.06	-69.65
C[NH+](C)CCOCCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030713695	0	52	0.0	-81.88	428.72	-1.99	-83.87
COCCN(C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030713697	0	49	0.0	-68.14	403.30	-2.94	-71.08
COCC[N@H+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030713697	1	49	0.0	-79.98	402.23	-2.95	-82.93
COCC[N@@H+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030713697	1	49	0.0	-79.98	402.23	-2.95	-82.93
CC(CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1)[NH+](C)C	REAL300030713702	0	51	0.0	-86.16	404.45	-1.03	-87.19
CC[N@H+](CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1)C1CC1	REAL300030713725	0	49	0.0	-74.15	396.20	-0.75	-74.90
CC1C[N@@H+]2CCN1C(C(=O)N1CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C1)C2	REAL300030713740	0	52	0.0	-84.99	400.57	-3.75	-88.74
C[N@@H+]1CC2CC1(C(=O)N1CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C1)C2	REAL300030713763	0	47	0.0	-62.16	381.14	-1.54	-63.70
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300030713777	0	50	0.0	-75.33	395.52	-0.84	-76.17
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300030713777	1	50	0.0	-75.33	395.52	-0.84	-76.17
CC(C[NH+](C)C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030713796	0	48	0.0	-68.40	388.06	-1.66	-70.06
CCN1CCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030713843	0	46	0.0	-67.83	384.32	-1.77	-69.60
CC[N@@H+]1CCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030713843	1	46	0.0	-77.48	382.62	-1.69	-79.17
CC[N@H+]1CCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030713843	1	46	0.0	-77.48	382.62	-1.69	-79.17
CC(C)[N@@H+]1CCCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030713855	0	55	0.0	-78.05	428.51	-0.20	-78.25
CC(C)[N@H+]1CCCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030713855	1	55	0.0	-72.08	422.22	-0.01	-72.09
CCC(C)(C)[NH2+]C(C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030713869	0	54	0.0	-64.40	415.69	-2.30	-66.70
C#CC[N@H+]1CCCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030713909	1	51	0.0	-64.20	408.18	-0.42	-64.62
C#CC[N@@H+]1CCCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030713909	1	51	0.0	-73.76	404.22	-0.28	-74.04
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030713910	1	48	0.0	-63.72	400.08	-2.13	-65.85
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C[NH+]=CC=C2N)C1	REAL300030713911	0	42	0.0	-83.87	360.46	-4.71	-88.58
CCCC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1)[NH+](C)C	REAL300030713920	0	51	0.0	-66.87	404.97	-0.80	-67.67
C[NH+](C)C(C)(C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030713927	0	48	0.0	-77.85	369.51	-1.86	-79.71
CC(CC[NH+](C)C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030713945	0	51	0.0	-69.23	409.60	-0.99	-70.22
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300030714010	0	51	0.0	-78.79	406.73	-0.12	-78.91
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300030714010	1	51	0.0	-61.38	404.30	0.60	-60.78
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030714041	0	52	0.0	-80.10	412.20	-1.12	-81.22
C[N@H+]1CC(C)(C)CC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030714041	1	52	0.0	-77.95	404.69	-1.07	-79.02
C[NH+](C)CCCCCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030714045	0	54	0.0	-70.39	439.00	0.27	-70.12
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[NH+]2CCC(O)CC2)C1	REAL300030714049	0	53	0.0	-83.82	426.99	-3.70	-87.52
CCC[N@@H+]1CCCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030714053	0	55	0.0	-73.05	419.59	-0.06	-73.11
CCC[N@H+]1CCCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030714053	1	55	0.0	-74.65	418.93	-0.11	-74.76
C[NH+]1CCN(CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)CC1	REAL300030714062	1	51	0.0	-80.84	410.44	-3.30	-84.14
CC1C[N@H+](C)CC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)O1	REAL300030714150	1	50	0.0	-95.91	407.83	-1.70	-97.61
CC1C[N@@H+](C)CC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)O1	REAL300030714150	1	50	0.0	-77.98	408.52	-1.72	-79.70
CCC1CCC[N@H+](CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030714182	0	55	0.0	-77.99	424.91	0.41	-77.58
CCC1CCC[N@@H+](CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030714182	1	55	0.0	-66.25	433.11	0.46	-65.79
C[NH+](C)CC1=CC=C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)N1	REAL300030714190	0	50	0.0	-95.29	413.87	-1.41	-96.70
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300030714203	0	47	0.0	-67.18	388.46	-0.90	-68.08
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2([NH+]3CCCC3)CC2)C1	REAL300030714216	0	53	0.0	-78.10	418.08	0.00	-78.10
C[N@@H+]1CCCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030714252	0	49	0.0	-75.60	381.46	-1.56	-77.16
C[N@H+]1CCCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030714252	1	49	0.0	-65.60	382.57	-1.53	-67.13
C[N@@H+]1CCC(=CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030714365	0	47	0.0	-81.66	388.71	-1.10	-82.76
C[N@H+]1CCC(=CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030714365	1	47	0.0	-85.79	391.69	-1.24	-87.03
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300030714370	0	45	0.0	-81.27	387.62	-3.52	-84.79
CC[NH+]1CCN(CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)CC1	REAL300030714424	0	54	0.0	-79.61	427.68	-2.66	-82.27
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=C2C[NH+]3CCC2CC3)C1	REAL300030714427	0	51	0.0	-70.47	409.23	-0.38	-70.85
C[NH+](C)C1(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)CCCC1	REAL300030714461	0	52	0.0	-62.96	391.96	-1.27	-64.23
C[N@H+](CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1)[C@@H]1CCC[C@H]1O	REAL300030714472	0	53	0.0	-64.95	423.05	-3.38	-68.33
C[N@@H+](CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1)[C@@H]1CCC[C@H]1O	REAL300030714472	1	53	0.0	-67.00	423.42	-3.58	-70.58
CCC1C[NH+](CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030714476	0	49	0.0	-81.32	405.11	-0.95	-82.27
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300030714480	0	53	0.0	-78.16	406.83	-0.33	-78.49
C[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030714493	0	46	0.0	-76.15	374.24	-1.88	-78.03
C[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030714493	1	46	0.0	-78.55	369.21	-2.27	-80.82
CC[N@@H+]1CCOCC1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030714519	0	53	0.0	-83.20	418.32	-2.31	-85.51
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C3NC(N)=NC3=C2)C1	REAL300030714599	0	46	0.0	-83.19	391.29	-1.83	-85.02
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C3NC(N)=[NH+]C3=C2)C1	REAL300030714599	1	46	0.0	-83.19	391.29	-1.83	-85.02
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030714633	0	49	0.0	-72.36	401.99	-1.05	-73.41
C[NH+](C)C1CCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)CC1	REAL300030714647	0	55	0.0	-71.27	422.65	-0.31	-71.58
C[NH+](C)CCC1(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)CC1	REAL300030714648	0	52	0.0	-82.15	425.66	-0.16	-82.31
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)CC1	REAL300030714650	0	55	0.0	-67.84	420.63	-0.23	-68.07
C[N@@H+]1CC=CCC1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030714651	0	50	0.0	-84.96	403.86	-0.68	-85.64
C[N@H+]1CC=CCC1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030714651	1	50	0.0	-84.96	403.86	-0.68	-85.64
C[NH+](C)CCOCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030714708	0	49	0.0	-78.84	405.96	-1.66	-80.50
CCCCC[N@H+](C)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030714713	0	57	0.0	-69.67	456.78	0.88	-68.79
CCCCC[N@@H+](C)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030714713	1	57	0.0	-69.67	456.78	0.88	-68.79
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)O1	REAL300030714724	0	53	0.0	-80.94	426.52	-0.73	-81.67
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2C=CSC2=[NH2+])C1	REAL300030714748	0	42	0.0	-75.24	378.96	-2.61	-77.85
C[C@@H](OCC[NH+](C)C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030714816	0	52	0.0	-76.90	424.92	-1.15	-78.05
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[NH+]2CCCCCC2)C1	REAL300030714853	0	55	0.0	-70.10	426.92	-0.14	-70.24
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCCCC2)C1	REAL300030714857	0	49	0.0	-66.80	394.73	-0.91	-67.71
C[N@@H+]1CCCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030714859	0	49	0.0	-78.86	393.86	-1.24	-80.10
C[N@H+]1CCCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030714859	1	49	0.0	-73.16	387.76	-1.36	-74.52
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300030714860	0	53	0.0	-68.10	425.82	-3.48	-71.58
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCCCCC2)C1	REAL300030714861	0	52	0.0	-77.04	402.86	-0.74	-77.78
CN1C=C[N+](CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)=C1	REAL300030714866	0	44	0.0	-77.09	383.13	0.72	-76.37
C[NH+](C)CC1=CC=C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)O1	REAL300030714882	1	49	0.0	-90.76	413.99	-1.03	-91.79
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300030714898	1	50	0.0	-69.46	404.99	-4.14	-73.60
C[N@H+](CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1)C1CC1	REAL300030714903	0	46	0.0	-75.12	381.19	-1.37	-76.49
C[N@@H+](CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1)C1CC1	REAL300030714903	1	46	0.0	-76.07	381.32	-1.37	-77.44
CC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1)N1CC[NH+](C)CC1	REAL300030714905	1	54	0.0	-68.92	421.71	-3.12	-72.04
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[N@@H+]2CCC(F)C2)C1	REAL300030714907	0	49	0.0	-74.35	407.33	-0.97	-75.32
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC[N@H+]2CCC(F)C2)C1	REAL300030714907	1	49	0.0	-87.92	407.19	-1.02	-88.94
COC1C[N@H+](C)C(C)(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030714916	0	53	0.0	-84.27	413.08	-2.46	-86.73
COC1C[N@@H+](C)C(C)(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030714916	1	53	0.0	-84.79	414.47	-2.71	-87.50
CC(CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1)C[NH+](C)C	REAL300030714933	0	51	0.0	-83.05	408.15	-0.76	-83.81
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300030714947	0	51	0.0	-82.91	409.16	-2.44	-85.35
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@H+]3CCOCC23)C1	REAL300030714947	1	51	0.0	-86.26	409.47	-2.58	-88.84
CC1=[NH+]C=C2C=CC(C(=O)N3CC(CNC(=O)C4=CC(=O)[N-]O4)(C(N)=O)C3)=CN21	REAL300030714952	0	47	0.0	-63.94	397.22	0.18	-63.76
C[N@@H+]1CCOCC1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030714965	1	50	0.0	-86.75	402.50	-2.98	-89.73
C[N@H+]1CCOCC1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030714965	1	50	0.0	-72.36	403.10	-2.87	-75.23
CC[NH+]1CCN(CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)CC1	REAL300030714973	0	54	0.0	-79.61	427.68	-2.66	-82.27
CC1=CC(N)=[NH+]C=C1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030715025	1	45	0.0	-69.27	379.86	-3.54	-72.81
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC2=CC=C(N)[NH+]=C2)C1	REAL300030715028	0	48	0.0	-66.53	411.19	-2.15	-68.68
CC1(O)CC[N@H+](CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030715065	0	50	0.0	-77.85	407.52	-4.25	-82.10
CC1(O)CC[N@@H+](CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030715065	1	50	0.0	-79.38	409.49	-4.30	-83.68
C[NH+]1CC(CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030715097	0	46	0.0	-81.89	383.19	-1.98	-83.87
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300030715102	0	53	0.0	-66.85	425.43	0.16	-66.69
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300030715102	1	53	0.0	-79.72	422.57	-0.02	-79.74
C[NH+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030715110	0	42	0.0	-67.45	352.14	-2.66	-70.11
C[N@H+](CCO)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030715138	0	49	0.0	-68.67	402.63	-4.64	-73.31
C[N@@H+](CCO)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030715138	1	49	0.0	-80.04	400.69	-4.77	-84.81
C[C@@H](C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1)[NH+](C)C	REAL300030715139	0	45	0.0	-77.96	370.49	-2.38	-80.34
C[N@@H+]1CCCCC1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030715158	0	52	0.0	-62.79	404.75	-0.64	-63.43
C[N@H+]1CCCCC1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030715158	1	52	0.0	-69.34	403.20	-0.73	-70.07
CC1=C2C=C(C(=O)N3CC(CNC(=O)C4=CC(=O)[N-]O4)(C(N)=O)C3)C=CN2C=[NH+]1	REAL300030715177	1	47	0.0	-66.62	398.73	0.99	-65.63
CC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1)[NH+]1CC(C)C1	REAL300030715178	0	49	0.0	-79.19	404.46	-1.18	-80.37
CC1CC[N@@H+]1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030715182	1	46	0.0	-77.99	378.70	-1.94	-79.93
CC1CC[N@H+]1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030715182	1	46	0.0	-76.44	382.90	-1.54	-77.98
C[NH+](C)CC=CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030715195	0	46	0.0	-70.64	387.90	-1.48	-72.12
CC1(C)C[NH+](CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C1	REAL300030715208	1	49	0.0	-78.91	402.04	-1.16	-80.07
CC1=C(C)[NH+]=C(CCC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)N1	REAL300030715224	1	50	0.0	-75.41	423.08	-1.46	-76.87
CC1=C2C=C(C(=O)N3CC(CNC(=O)C4=CC(=O)[N-]O4)(C(N)=O)C3)C=CN2C=[NH+]1	REAL300030715235	1	47	0.0	-66.62	398.73	0.99	-65.63
C[NH+](C)CCSCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030715244	0	49	0.0	-87.34	418.79	-0.85	-88.19
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@@H+]2CCCC2CO)C1	REAL300030715269	0	50	0.0	-76.66	406.46	-4.09	-80.75
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N@H+]2CCCC2CO)C1	REAL300030715269	1	50	0.0	-72.87	394.58	-4.01	-76.88
CC[NH+](CC)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030715273	0	48	0.0	-65.73	387.84	-1.34	-67.07
C[N@H+](CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1)C1CCSC1	REAL300030715283	0	50	0.0	-82.68	411.39	-0.55	-83.23
C[N@@H+](CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1)C1CCSC1	REAL300030715283	1	50	0.0	-72.07	412.20	-0.53	-72.60
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCC2)C1	REAL300030715285	1	43	0.0	-79.31	361.79	-2.29	-81.60
CC[NH+](CC)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030715331	0	51	0.0	-67.70	410.89	-0.77	-68.47
C[NH+](C)CC1=CNC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)=C1	REAL300030715392	0	50	0.0	-74.63	414.73	-1.44	-76.07
CC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1)[NH+]1CCC(O)CC1	REAL300030715409	0	53	0.0	-67.41	416.29	-4.15	-71.56
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300030715415	0	51	0.0	-83.67	411.07	-2.46	-86.13
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC3COCC[N@H+]3C2)C1	REAL300030715415	1	51	0.0	-68.62	408.21	-2.43	-71.05
CC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1)[NH+]1CCC1	REAL300030715429	1	46	0.0	-64.92	382.76	-1.78	-66.70
CCC(CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1)C[NH+](C)C	REAL300030715435	0	54	0.0	-87.77	426.69	-0.16	-87.93
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=CC2=CC=C(N)[NH+]=C2)C1	REAL300030715442	0	46	0.0	-68.23	399.24	-2.47	-70.70
C[NH+](C)CC(C)(C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030715443	0	51	0.0	-80.55	393.50	-1.47	-82.02
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030715500	0	49	0.0	-74.22	380.51	-1.54	-75.76
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030715500	1	49	0.0	-65.22	395.07	-1.11	-66.33
CC1CN2CC[N@@H+]1CC2C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030715514	0	52	0.0	-84.22	401.99	-3.79	-88.01
CC1CN2CC[N@H+]1CC2C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030715514	1	52	0.0	-88.53	402.46	-3.90	-92.43
C[NH+](C)CC(O)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030715535	0	49	0.0	-85.06	402.51	-3.70	-88.76
C[NH+]1C2CCC1CC(C(=O)N1CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C1)C2	REAL300030715537	0	53	0.0	-81.51	407.32	-0.77	-82.28
C=CCC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1)[NH+](C)C	REAL300030715569	0	49	0.0	-73.88	394.25	-1.24	-75.12
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300030715577	0	53	0.0	-65.62	419.18	-0.02	-65.64
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300030715577	1	53	0.0	-78.66	419.53	-0.06	-78.72
C[NH+]1CCC(C)(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)CC1	REAL300030715588	0	52	0.0	-70.26	403.52	-1.15	-71.41
C[NH+]1CCC(O)(CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)CC1	REAL300030715590	0	53	0.0	-81.42	421.94	-2.44	-83.86
CC1=C2C=C(C(=O)NCC3(C(N)=O)CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030715665	1	47	0.0	-77.03	402.75	1.18	-75.85
C[NH+](C)CCSCC(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030715674	0	49	0.0	-82.71	416.87	-0.97	-83.68
NC(=O)C1(CNC(=O)C2CC3COCC[N@@H+]3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030715682	0	51	0.0	-77.66	409.54	-2.52	-80.18
NC(=O)C1(CNC(=O)C2CC3COCC[N@H+]3C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030715682	1	51	0.0	-69.98	408.04	-2.42	-72.40
C[N@@H+]1CCCC1C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030715844	0	49	0.0	-67.63	368.65	4.11	-63.52
C[N@H+]1CCCC1C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030715844	1	49	0.0	-69.62	375.50	3.36	-66.26
C[N@@H+]1CCOC(C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300030715868	1	50	0.0	-84.27	386.20	2.69	-81.58
C[N@H+]1CCOC(C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300030715868	1	50	0.0	-73.26	379.12	2.57	-70.69
CC(C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+]1CCCCCC1	REAL300030716039	0	58	0.0	-68.96	418.98	4.70	-64.26
CC(C)[N@@H+]1CCCCC1C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030716041	0	58	0.0	-66.94	421.97	4.81	-62.13
CC(C)[N@H+]1CCCCC1C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030716041	1	58	0.0	-63.44	412.73	5.03	-58.41
CC(C)[N@@H+]1CCCC1C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030716062	0	55	0.0	-68.15	407.59	4.37	-63.78
CC(C)[N@H+]1CCCC1C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030716062	1	55	0.0	-68.21	407.36	4.39	-63.82
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CC2CCCC[N@@H+]2C1	REAL300030716079	0	56	0.0	-73.56	416.36	5.06	-68.50
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CC2CCCC[N@H+]2C1	REAL300030716079	1	56	0.0	-68.89	416.32	5.02	-63.87
CC(C)C1=[NH+]C=CN1CC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030716101	1	53	0.0	-63.45	411.86	5.96	-57.49
CC1=[NH+]C=CN1CC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030716135	1	47	0.0	-69.71	378.01	3.87	-65.84
CC(C[NH+]1CCOCC1)C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030716137	0	56	0.0	-66.76	416.35	3.33	-63.43
O=C(CCC[NH+]1CCCCC1)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030716154	0	58	0.0	-73.35	433.62	5.44	-67.91
CC(C)(C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+]1CCCCC1	REAL300030716173	0	58	0.0	-71.52	418.29	5.25	-66.27
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1C[NH+]2CCC1CC2	REAL300030716183	0	53	0.0	-66.23	382.76	4.87	-61.36
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CCCC2CCC[N@@H+]21	REAL300030716229	0	56	0.0	-68.82	405.15	4.84	-63.98
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CCCC2CCC[N@H+]21	REAL300030716229	1	56	0.0	-67.75	405.04	4.85	-62.90
C[C@@H]1[C@H](C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC[N@@H+]1C	REAL300030716245	0	52	0.0	-73.16	386.16	3.45	-69.71
C[C@@H]1[C@H](C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC[N@H+]1C	REAL300030716245	1	52	0.0	-70.59	387.32	4.49	-66.10
CC[C@@H]1[C@@H](C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC[N@@H+]1C	REAL300030716250	0	55	0.0	-73.10	406.07	3.94	-69.16
CC[C@@H]1[C@@H](C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC[N@H+]1C	REAL300030716250	1	55	0.0	-67.70	406.45	4.73	-62.97
CC[N@@H+]1CCOC(C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300030716265	1	53	0.0	-74.00	401.37	3.56	-70.44
CC[N@H+]1CCOC(C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300030716265	1	53	0.0	-80.47	403.72	3.36	-77.11
CC[NH+](CC)CC(F)C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030716311	0	54	0.0	-68.47	404.93	4.21	-64.26
CC1CCC(C)[NH+]1CC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030716384	0	55	0.0	-64.71	403.01	4.35	-60.36
O=C(CCC[NH+]1CCCC1)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030716390	0	55	0.0	-72.91	417.68	4.73	-68.18
C[NH+](C)CC1=CC=CC(C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)=C1	REAL300030716391	0	55	0.0	-75.63	426.93	5.75	-69.88
C#CC[NH+]1CCC(C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300030716396	0	54	0.0	-78.19	418.34	5.13	-73.06
O=C(CC[NH+]1CCCCC1)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030716397	0	55	0.0	-73.50	412.59	4.68	-68.82
C[NH+](C)CC1=CC=CC=C1C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030716400	0	55	0.0	-65.09	419.66	6.02	-59.07
CC[N@@H+]1CCCCC1C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030716404	0	55	0.0	-61.75	404.15	5.42	-56.33
CC[N@H+]1CCCCC1C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030716404	1	55	0.0	-63.70	396.90	5.30	-58.40
C[NH+](C)C(C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC=CC=C1	REAL300030716407	1	55	0.0	-66.87	420.31	5.96	-60.91
CC(C)C[N@@H+]1CCC(C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300030716424	0	58	0.0	-67.91	430.58	6.22	-61.69
CC(C)C[N@H+]1CCC(C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300030716424	1	58	0.0	-68.43	430.26	6.13	-62.30
C[NH+](C)C1(C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CCC1	REAL300030716428	0	52	0.0	-65.22	379.36	4.05	-61.17
CC(C)[N@@H+]1CCCC1CC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030716430	0	58	0.0	-62.66	414.91	5.01	-57.65
CC(C)[N@H+]1CCCC1CC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030716430	1	58	0.0	-70.34	428.18	4.91	-65.43
CC(C)[C@@H](C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+](C)C	REAL300030716445	0	54	0.0	-66.32	390.01	4.01	-62.31
C[N@H+](CC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CCC1	REAL300030716494	0	52	0.0	-65.89	392.33	5.21	-60.68
C[N@@H+](CC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CCC1	REAL300030716494	1	52	0.0	-70.56	395.06	4.26	-66.30
CC(C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+]1C(C)CCC1C	REAL300030716558	0	58	0.0	-66.64	418.44	4.40	-62.24
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CC(C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)N1CCC(O)CC1	REAL300030718736	0	56	0.0	-73.18	414.21	1.02	-72.16
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CCC[N@@H+]1CCCCC1C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030719312	0	58	0.0	-64.01	416.07	5.96	-58.05
CCC[N@H+]1CCCCC1C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030719312	1	58	0.0	-69.04	430.11	5.28	-63.76
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300030719391	0	52	0.0	-65.65	393.63	4.91	-60.74
CC(CC[NH+](C)C)C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030719399	0	54	0.0	-70.28	405.70	4.36	-65.92
C[N@H+](CC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[C@@H]1CCC[C@H]1O	REAL300030719420	0	56	0.0	-68.92	419.20	1.64	-67.28
C[N@@H+](CC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[C@@H]1CCC[C@H]1O	REAL300030719420	1	56	0.0	-70.57	419.61	1.65	-68.92
C[NH+]1CCN(CC(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300030719432	1	54	0.0	-72.71	408.06	1.79	-70.92
CC[NH+]1CCN(CC(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300030719441	0	57	0.0	-71.53	425.80	2.47	-69.06
NC(=[NH2+])SCC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030719467	0	43	0.0	-69.62	354.44	-0.66	-70.28
CC[N@@H+]1CCOCC1CC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030719504	0	56	0.0	-70.02	409.14	2.82	-67.20
C[NH+](C)C1CCC(C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300030719520	0	58	0.0	-71.10	421.24	4.98	-66.12
C[NH+](C)CCC1(C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300030719521	0	55	0.0	-70.40	424.67	4.79	-65.61
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC1	REAL300030719523	0	58	0.0	-67.18	417.98	5.15	-62.03
C[N@@H+]1CC=CCC1CC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030719524	0	53	0.0	-70.79	397.00	4.52	-66.27
C[N@H+]1CC=CCC1CC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030719524	1	53	0.0	-70.79	397.00	4.52	-66.27
C[C@@H](OCC[NH+](C)C)C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030719547	0	55	0.0	-71.39	424.76	4.06	-67.33
C[NH+]1C2CCC1CC(C(=O)NC1CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC31)C2	REAL300030719575	0	56	0.0	-65.04	388.07	4.92	-60.12
CC(C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)[NH+]1CCSCC1	REAL300030719685	1	53	0.0	-69.46	401.03	4.32	-65.14
CCC1C[NH+](CC(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300030719687	1	52	0.0	-69.64	398.19	4.31	-65.33
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1([NH+]2CCCC2)CCC1	REAL300030719689	0	56	0.0	-64.20	403.59	5.33	-58.87
C[N@H+]1CCC[C@H]1C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030719698	1	49	0.0	-65.07	364.30	3.71	-61.36
O=C(CC[N@@H+]1CCC(F)C1)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030719705	1	52	0.0	-73.90	399.96	4.28	-69.62
COC1C[N@@H+](C)C(C)(C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C1	REAL300030719713	1	56	0.0	-69.25	414.80	3.58	-65.67
O=C(CC[NH+]1CCCCCC1)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030719722	0	58	0.0	-75.14	422.60	4.87	-70.27
O=C(C[NH+]1CCCCC1)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030719724	0	52	0.0	-72.54	390.31	4.12	-68.42
CC1C(C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC[N@@H+]1C	REAL300030719734	0	52	0.0	-66.73	387.52	4.66	-62.07
CC1C(C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)CC[N@H+]1C	REAL300030719734	1	52	0.0	-74.04	386.55	3.46	-70.58
C[N@@H+]1CCCCC1CCC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030719736	0	58	0.0	-67.90	419.78	5.97	-61.93
C[N@H+]1CCCCC1CCC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030719736	1	58	0.0	-70.37	420.20	5.20	-65.17
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CC[N@@H+]2CCOCC12	REAL300030719766	0	54	0.0	-67.14	400.76	2.75	-64.39
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CC[N@H+]2CCOCC12	REAL300030719766	1	54	0.0	-66.05	398.95	3.61	-62.44
CC1=[NH+]C=C2C=CC(C(=O)NC3CCC4CN(C(=O)C5=CC(=O)[N-]O5)CC43)=CN21	REAL300030719771	0	50	0.0	-69.91	400.39	5.56	-64.35
CN1CCOCC1CC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030719788	0	53	0.0	-73.58	396.39	2.27	-71.31
C[N@@H+]1CCOCC1CC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030719788	1	53	0.0	-68.44	391.75	1.92	-66.52
C[N@H+]1CCOCC1CC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030719788	1	53	0.0	-73.58	396.39	2.27	-71.31
CC1=C(C)[NH+]=C(CCC(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)N1	REAL300030719796	1	53	0.0	-68.13	418.82	3.54	-64.59
C[N@@H+]1CCCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030719968	0	49	0.0	-73.18	370.18	2.86	-70.32
C[N@H+]1CCCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030719968	1	49	0.0	-71.99	367.35	3.08	-68.91
C[N@@H+]1CCOC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030719994	1	50	0.0	-60.93	382.15	3.68	-57.25
C[N@H+]1CCOC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030719994	1	50	0.0	-76.45	373.79	2.68	-73.77
CC1=[NH+]C=CN1CCCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030720156	1	53	0.0	-72.34	423.23	5.36	-66.98
C[NH+](C)CC1=CC=C(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C=C1	REAL300030720161	0	55	0.0	-72.06	427.44	5.52	-66.54
O=C(CC[NH+]1CCOCC1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030720162	1	53	0.0	-79.07	406.86	2.39	-76.68
O=C(NC1CCC2CN(C(=O)C34CCC[NH+]3CCC4)CC21)C1=CC(=O)[N-]O1	REAL300030720187	0	53	0.0	-68.90	391.17	3.84	-65.06
O=C(NC1CCC2CN(C(=O)C3=CC4=C[NH+]=CN4C=C3)CC21)C1=CC(=O)[N-]O1	REAL300030720197	1	47	0.0	-79.42	387.19	5.83	-73.59
C[NH+](C)C1CCCC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030720257	0	58	0.0	-68.30	430.29	5.07	-63.23
C[N@@H+]1CCC(CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030720260	0	52	0.0	-76.58	395.67	4.18	-72.40
C[N@H+]1CCC(CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030720260	1	52	0.0	-75.19	393.89	4.93	-70.26
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030720272	0	51	0.0	-68.73	401.33	2.36	-66.37
CCC(C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300030720277	0	51	0.0	-72.78	384.30	3.54	-69.24
C[NH+](C)CCCCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030720344	0	54	0.0	-77.60	416.96	4.52	-73.08
CC(C)C(C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300030720366	0	54	0.0	-70.56	388.97	3.98	-66.58
CCC[N@H+](C)CCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030720368	0	54	0.0	-77.00	413.86	4.44	-72.56
CCC[N@@H+](C)CCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030720368	1	54	0.0	-77.12	413.18	4.33	-72.79
CCC[N@H+](C)CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030720374	0	51	0.0	-73.19	387.93	4.01	-69.18
CCC[N@@H+](C)CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030720374	1	51	0.0	-73.18	387.93	4.02	-69.16
O=C(NC1CCC2CN(C(=O)C34CC[N@H+](C3)CCC4)CC21)C1=CC(=O)[N-]O1	REAL300030720398	0	53	0.0	-68.09	386.25	3.26	-64.83
O=C(NC1CCC2CN(C(=O)C34CC[N@@H+](C3)CCC4)CC21)C1=CC(=O)[N-]O1	REAL300030720398	1	53	0.0	-82.88	380.34	3.40	-79.48
CCCCCC[N@H+](C)CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030720434	0	60	0.0	-75.21	455.83	6.18	-69.03
CCCCCC[N@@H+](C)CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030720434	1	60	0.0	-74.53	452.43	6.36	-68.17
CC[NH+](CC)C(C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C(C)C	REAL300030720439	0	60	0.0	-69.40	423.71	5.44	-63.96
CC1CC[NH+](CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300030720472	0	55	0.0	-74.31	414.84	4.92	-69.39
C[NH+]1CCC(OCC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300030720500	0	56	0.0	-81.71	428.55	4.76	-76.95
O=C(NC1CCC2CN(C(=O)C3CC4CCCC[N@@H+]4C3)CC21)C1=CC(=O)[N-]O1	REAL300030720545	0	56	0.0	-71.18	411.71	5.88	-65.30
O=C(NC1CCC2CN(C(=O)C3CC4CCCC[N@H+]4C3)CC21)C1=CC(=O)[N-]O1	REAL300030720545	1	56	0.0	-71.92	415.11	4.96	-66.96
C[NH+](C)CC1(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300030720556	0	52	0.0	-76.68	399.95	4.02	-72.66
CC1=[NH+]C=C2CCC(C(=O)N3CC4CCC(NC(=O)C5=CC(=O)[N-]O5)C4C3)CN21	REAL300030720557	1	54	0.0	-69.41	415.30	4.77	-64.64
CC(C)[NH+]1CCC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300030720568	0	58	0.0	-77.80	427.12	5.00	-72.80
CC[N@H+](C)CCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030720593	0	51	0.0	-76.37	392.36	3.68	-72.69
CC[N@@H+](C)CCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030720593	1	51	0.0	-76.24	392.35	3.67	-72.57
CC(C)(C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+]1CCCCC1	REAL300030720619	0	58	0.0	-72.64	409.00	6.16	-66.48
O=C(NC1CCC2CN(C(=O)C3C[NH+]4CCC3CC4)CC21)C1=CC(=O)[N-]O1	REAL300030720629	0	53	0.0	-81.09	390.82	4.00	-77.09
C[NH+]1CCC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300030720709	0	52	0.0	-64.13	392.16	4.12	-60.01
CC(C)[C@H](C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300030720727	0	54	0.0	-71.83	395.69	3.85	-67.98
CC[NH+](CC)CC(F)C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030720822	0	54	0.0	-76.07	410.43	4.56	-71.51
CC(C)C[N@@H+]1CCC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030720857	0	58	0.0	-70.60	429.58	6.19	-64.41
CC(C)C[N@H+]1CCC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030720857	1	58	0.0	-74.72	431.72	5.17	-69.55
C[NH+](C)C1(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CCC1	REAL300030720861	0	52	0.0	-77.00	381.48	3.10	-73.90
CCC(C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](CC)CC	REAL300030720892	0	57	0.0	-71.48	409.97	5.75	-65.73
CC1CCC[N@@H+]1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030720912	0	52	0.0	-69.66	387.48	4.71	-64.95
CC1CCC[N@H+]1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030720912	1	52	0.0	-70.16	390.73	3.79	-66.37
CC(C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+]1CCCCCC1	REAL300030720982	0	58	0.0	-67.56	416.46	5.68	-61.88
CC(C)[N@@H+]1CCCCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030720984	0	58	0.0	-66.34	419.57	5.76	-60.58
CC(C)[N@H+]1CCCCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030720984	1	58	0.0	-66.18	410.74	5.54	-60.64
CC(C)[N@@H+]1CCCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030721005	0	55	0.0	-70.96	397.96	5.31	-65.65
CC(C)[N@H+]1CCCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030721005	1	55	0.0	-72.34	394.36	5.34	-67.00
CC(C)[N@@H+]1CCCC1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030721011	0	58	0.0	-66.39	423.54	4.51	-61.88
CC(C)[N@H+]1CCCC1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030721011	1	58	0.0	-66.57	419.35	4.75	-61.82
CC(C)[C@@H](C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300030721026	0	54	0.0	-72.92	394.84	3.93	-68.99
CC1CC[N@H+](CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030721047	0	52	0.0	-73.08	397.75	4.07	-69.01
CC1CC[N@@H+](CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030721047	1	52	0.0	-72.78	396.98	4.02	-68.76
CC1=[NH+]C=C2CC(C(=O)N3CC4CCC(NC(=O)C5=CC(=O)[N-]O5)C4C3)CCN21	REAL300030721049	1	54	0.0	-62.94	420.66	5.00	-57.94
CC1(C)CC[N@H+](CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030721052	0	55	0.0	-70.41	413.95	5.54	-64.87
CC1(C)CC[N@@H+](CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030721052	1	55	0.0	-72.29	413.56	4.84	-67.45
C[N@H+](CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)CC(C)(C)C	REAL300030721053	0	57	0.0	-73.13	418.33	5.11	-68.02
C[N@@H+](CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)CC(C)(C)C	REAL300030721053	1	57	0.0	-73.62	422.25	5.00	-68.62
CC[C@@H](C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300030721062	0	51	0.0	-72.27	377.61	3.62	-68.65
CN(CCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C1=CC=[NH+]C=C1	REAL300030721189	0	54	0.0	-72.47	427.00	4.13	-68.34
CC1=[NH+]C=CN1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030721273	1	47	0.0	-70.46	381.50	4.03	-66.43
CC(C[NH+]1CCOCC1)C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030721275	0	56	0.0	-77.34	422.12	2.94	-74.40
O=C(CCC[NH+]1CCCCC1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030721292	0	58	0.0	-76.58	434.32	6.63	-69.95
C[NH+](C)CC1=CC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=NO1	REAL300030721310	1	51	0.0	-81.28	406.67	3.56	-77.72
CC1=C(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C=CC2=C[NH+]=CN21	REAL300030721311	0	50	0.0	-80.41	398.71	6.87	-73.54
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030721346	1	53	0.0	-69.07	417.87	5.14	-63.93
O=C(NC1CCC2CN(C(=O)C3CCCC4CCC[N@@H+]43)CC21)C1=CC(=O)[N-]O1	REAL300030721382	0	56	0.0	-66.61	416.42	5.01	-61.60
O=C(NC1CCC2CN(C(=O)C3CCCC4CCC[N@H+]43)CC21)C1=CC(=O)[N-]O1	REAL300030721382	1	56	0.0	-69.61	400.55	4.62	-64.99
CC[N@@H+]1CCOC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030721404	1	53	0.0	-86.59	399.70	4.29	-82.30
CC[N@H+]1CCOC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030721404	1	53	0.0	-75.77	391.32	3.33	-72.44
O=C(NC1CCC2CN(C(=O)C3=CN4C=[NH+]C=C4C=C3)CC21)C1=CC(=O)[N-]O1	REAL300030721457	0	47	0.0	-77.40	387.11	5.81	-71.59
CC1=C[NH+]=CN1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030721462	1	47	0.0	-72.92	381.86	4.77	-68.15
C[C@@H]1[C@H](C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC[N@@H+]1C	REAL300030721478	0	52	0.0	-79.87	388.38	3.39	-76.48
C[C@@H]1[C@H](C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC[N@H+]1C	REAL300030721478	1	52	0.0	-75.46	388.88	4.91	-70.55
CC[C@@H]1[C@@H](C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC[N@@H+]1C	REAL300030721483	0	55	0.0	-76.32	406.84	3.95	-72.37
CC[C@@H]1[C@@H](C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC[N@H+]1C	REAL300030721483	1	55	0.0	-77.93	406.71	5.23	-72.70
CC1CCC(C)[NH+]1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030721496	0	55	0.0	-69.67	409.47	4.34	-65.33
O=C(CCC[NH+]1CCCC1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030721502	0	55	0.0	-76.09	417.03	5.82	-70.27
C[NH+](C)CC1=CC=CC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=C1	REAL300030721503	0	55	0.0	-76.73	424.74	5.71	-71.02
C#CC[NH+]1CCC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300030721509	0	54	0.0	-81.03	417.98	5.02	-76.01
O=C(CC[NH+]1CCCCC1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030721510	0	55	0.0	-74.93	412.63	5.06	-69.87
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030721514	0	55	0.0	-58.84	417.15	6.77	-52.07
CC[N@@H+]1CCCCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030721518	0	55	0.0	-68.91	410.49	4.54	-64.37
CC[N@H+]1CCCCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030721518	1	55	0.0	-68.18	405.97	4.72	-63.46
C[NH+](C)C(C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C1=CC=CC=C1	REAL300030721521	1	55	0.0	-69.67	416.42	5.80	-63.87
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030721526	1	54	0.0	-71.43	420.29	6.67	-64.76
C[NH+](C)C1(CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CCCC1	REAL300030721562	0	58	0.0	-78.25	415.44	4.82	-73.43
C[N@H+](CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C1CCC1	REAL300030721727	0	52	0.0	-71.54	398.33	4.41	-67.13
C[N@@H+](CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C1CCC1	REAL300030721727	1	52	0.0	-71.82	398.23	4.39	-67.43
CC(C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+]1C(C)CCC1C	REAL300030721752	0	58	0.0	-69.06	409.12	4.13	-64.93
O=C(CCCC[NH+]1CCCC1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030721765	0	58	0.0	-77.91	438.53	6.60	-71.31
C[N@H+](CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)CC1=CC=CC=C1	REAL300030721767	1	55	0.0	-78.62	428.77	6.01	-72.61
C[N@@H+](CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)CC1=CC=CC=C1	REAL300030721767	1	55	0.0	-78.02	425.41	6.20	-71.82
C[NH+]1CCC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300030721778	0	52	0.0	-64.13	392.16	4.12	-60.01
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030721823	0	49	0.0	-73.57	370.19	2.87	-70.70
C[N@H+]1CCC[C@@H]1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030721823	1	49	0.0	-70.86	373.41	3.16	-67.70
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030721847	1	51	0.0	-69.95	394.03	5.09	-64.86
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030721847	1	51	0.0	-71.37	398.51	5.47	-65.90
C[N@@H+]1CCCC1CCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030721853	0	55	0.0	-78.38	419.02	4.91	-73.47
C[N@H+]1CCCC1CCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030721853	1	55	0.0	-73.19	410.63	4.67	-68.52
O=C(NC1CCC2CN(C(=O)C34CCC[NH+](CCC3)C4)CC21)C1=CC(=O)[N-]O1	REAL300030721864	0	56	0.0	-75.24	400.72	4.13	-71.11
O=C(NC1CCC2CN(C(=O)C3CCC4CCCC[N@@H+]43)CC21)C1=CC(=O)[N-]O1	REAL300030721871	0	56	0.0	-69.92	411.81	4.84	-65.08
O=C(NC1CCC2CN(C(=O)C3CCC4CCCC[N@H+]43)CC21)C1=CC(=O)[N-]O1	REAL300030721871	1	56	0.0	-70.37	410.92	4.83	-65.54
CCC[N@@H+]1CCCC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030721944	0	58	0.0	-61.58	425.64	5.33	-56.25
CCC[N@H+]1CCCC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030721944	1	58	0.0	-60.76	431.99	6.25	-54.51
CC(C)[N@@H+]1CCOC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030721961	1	56	0.0	-82.55	419.40	3.78	-78.77
CC(C)[N@H+]1CCOC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030721961	1	56	0.0	-49.81	409.32	4.56	-45.25
C[N@@H+]1CCCCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030721992	0	52	0.0	-70.41	389.54	4.91	-65.50
C[N@H+]1CCCCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030721992	1	52	0.0	-73.75	384.10	3.66	-70.09
CC(C)C[N@@H+]1CCCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030722016	0	58	0.0	-71.80	423.87	5.67	-66.13
CC(C)C[N@H+]1CCCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030722016	1	58	0.0	-70.88	426.62	5.97	-64.91
O=C(C[NH+]1CCC(CO)CC1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030722031	0	56	0.0	-72.06	422.02	2.44	-69.62
CC1C(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC[N@@H+]1C	REAL300030722077	0	52	0.0	-77.94	393.99	3.64	-74.30
CC1C(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC[N@H+]1C	REAL300030722077	1	52	0.0	-74.17	388.79	3.39	-70.78
C[N@@H+]1CCCCC1CCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030722079	0	58	0.0	-75.17	421.91	6.05	-69.12
C[N@H+]1CCCCC1CCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030722079	1	58	0.0	-73.50	433.08	5.36	-68.14
NC1=[NH+]C2=C(C=C1C(=O)N1CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C1)CCC2	REAL300030722111	1	52	0.0	-65.87	405.40	3.15	-62.72
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030722175	0	55	0.0	-71.66	391.01	3.45	-68.21
CC(C)(C)[N@H+]1CCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030722175	1	55	0.0	-70.66	389.00	3.47	-67.19
C[C@@H](C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300030722194	0	48	0.0	-72.06	368.79	2.73	-69.33
C[NH+](C)CC1=CC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=CC=N1	REAL300030722208	1	54	0.0	-74.96	416.77	4.17	-70.79
C=CCC(C)(C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300030722212	0	55	0.0	-78.38	390.08	4.55	-73.83
O=C(CC[NH+]1CCCC1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030722237	0	52	0.0	-75.69	400.59	4.19	-71.50
C[N@H+](CCO)CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030722247	1	49	0.0	-73.96	376.79	0.04	-73.92
C[N@@H+](CCO)CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030722247	1	49	0.0	-74.54	379.94	-0.12	-74.66
O=C(NC1CCC2CN(C(=O)C3C[N@@H+]4CCN3CCC4)CC21)C1=CC(=O)[N-]O1	REAL300030722285	0	55	0.0	-85.36	390.91	1.99	-83.37
O=C(NC1CCC2CN(C(=O)C3C[N@H+]4CCN3CCC4)CC21)C1=CC(=O)[N-]O1	REAL300030722285	1	55	0.0	-85.39	391.27	2.01	-83.38
CC(C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+]1CCSCC1	REAL300030722307	1	53	0.0	-74.20	409.73	4.29	-69.91
C[N@H+]1CC=C(CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300030722347	0	53	0.0	-70.92	406.84	5.65	-65.27
C[N@@H+]1CC=C(CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300030722347	1	53	0.0	-68.33	406.87	5.66	-62.67
C[S+](C)CCC(O)C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030722362	0	51	0.0	-83.00	413.22	1.85	-81.15
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030722381	0	53	0.0	-69.11	392.26	-0.45	-69.56
C[N@H+]1CC(O)CC1(C)C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030722381	1	53	0.0	-73.16	392.43	-0.11	-73.27
CN1CC[N@H+](C)CC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030722394	0	57	0.0	-72.03	423.05	2.26	-69.77
CN1CC[N@@H+](C)CC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030722394	1	57	0.0	-77.62	419.95	3.30	-74.32
CC(C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[N@@H+]1CCCC(O)C1	REAL300030722395	0	56	0.0	-73.02	421.72	1.25	-71.77
CC(C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[N@H+]1CCCC(O)C1	REAL300030722395	1	56	0.0	-72.04	419.60	1.50	-70.54
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030722422	0	52	0.0	-71.83	409.46	3.42	-68.41
C[N@@H+]1CCCC(O)(CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030722428	0	56	0.0	-69.01	409.35	2.79	-66.22
C[N@H+]1CCCC(O)(CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030722428	1	56	0.0	-74.36	409.96	2.70	-71.66
CC1C[NH+](CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030722433	1	49	0.0	-74.18	383.78	3.52	-70.66
CC[N@@H+]1CCCC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030722440	0	55	0.0	-66.05	413.88	4.58	-61.47
CC[N@H+]1CCCC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030722440	1	55	0.0	-66.82	403.58	4.52	-62.30
NC1=[NH+]C=CC=C1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030722446	0	48	0.0	-69.91	386.35	2.24	-67.67
O=C(NC1CCC2CN(C(=O)C3CCC[N@@H+]3C3CC3)CC21)C1=CC(=O)[N-]O1	REAL300030722459	0	53	0.0	-68.13	402.83	5.62	-62.51
O=C(NC1CCC2CN(C(=O)C3CCC[N@H+]3C3CC3)CC21)C1=CC(=O)[N-]O1	REAL300030722459	1	53	0.0	-72.21	400.74	4.18	-68.03
O=C(C=CC[NH+]1CCCC1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030722502	0	53	0.0	-79.18	410.15	5.75	-73.43
O=C(NC1CCC2CN(C(=O)C3CC[NH+](C4CC4)CC3)CC21)C1=CC(=O)[N-]O1	REAL300030722525	0	56	0.0	-77.39	422.08	5.23	-72.16
CC[N@H+](C)CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030722572	0	48	0.0	-72.96	366.43	3.28	-69.68
O=C(CN1CC2C=CC1C2)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030722632	0	51	0.0	-69.46	391.07	4.24	-65.22
O=C(C[N@@H+]1CC2C=CC1C2)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030722632	1	51	0.0	-68.98	387.86	4.47	-64.51
O=C(C[N@H+]1CC2C=CC1C2)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030722632	1	51	0.0	-68.98	387.86	4.47	-64.51
CC1=CC=C(NCCC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)N=C1	REAL300030722654	0	54	0.0	-70.38	427.49	4.03	-66.35
CC1=CC=C(NCCC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)[NH+]=C1	REAL300030722654	1	54	0.0	-70.38	427.49	4.03	-66.35
O=C(NC1CCC2CN(C(=O)C34CCC[N@@H+]3CCCC4)CC21)C1=CC(=O)[N-]O1	REAL300030722760	0	56	0.0	-65.89	397.15	4.99	-60.90
O=C(NC1CCC2CN(C(=O)C34CCC[N@H+]3CCCC4)CC21)C1=CC(=O)[N-]O1	REAL300030722760	1	56	0.0	-65.89	397.15	4.99	-60.90
O=C(NC1CCC2CN(C(=O)C34CCC[N@@H+]3CC=CC4)CC21)C1=CC(=O)[N-]O1	REAL300030722769	0	54	0.0	-67.50	393.14	3.92	-63.58
O=C(NC1CCC2CN(C(=O)C34CCC[N@H+]3CC=CC4)CC21)C1=CC(=O)[N-]O1	REAL300030722769	1	54	0.0	-67.50	393.14	3.92	-63.58
CC(OCC[NH+](C)C)C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030722780	0	55	0.0	-72.08	424.22	4.08	-68.00
C[NH+](C)CCOCCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030722790	0	55	0.0	-74.86	428.41	3.19	-71.67
COCCN(C)CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030722792	0	52	0.0	-74.32	402.20	2.29	-72.03
COCC[N@H+](C)CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030722792	1	52	0.0	-74.25	399.04	2.44	-71.81
COCC[N@@H+](C)CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030722792	1	52	0.0	-74.25	399.04	2.44	-71.81
CC(CCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300030722798	0	54	0.0	-79.72	404.94	4.13	-75.59
CC[N@H+](CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C1CC1	REAL300030722825	0	52	0.0	-70.82	398.87	4.47	-66.35
CC1C[N@@H+]2CCN1C(C(=O)N1CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C1)C2	REAL300030722841	0	55	0.0	-83.80	401.51	1.17	-82.63
C[N@@H+]1CC2CC1(C(=O)N1CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C1)C2	REAL300030722866	0	50	0.0	-75.08	376.18	4.34	-70.74
C[N@H+]1CC2CC1(C(=O)N1CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C1)C2	REAL300030722866	1	50	0.0	-76.78	378.76	3.56	-73.22
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030722876	1	52	0.0	-74.84	415.53	3.02	-71.82
O=C(C[N@@H+]1CC2CCC1C2)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030722883	0	53	0.0	-70.26	393.03	4.50	-65.76
O=C(C[N@H+]1CC2CCC1C2)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030722883	1	53	0.0	-71.69	398.17	4.44	-67.25
CC(C[NH+](C)C)C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030722905	0	51	0.0	-70.26	385.72	3.72	-66.54
C[NH+](C)C1(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300030722922	0	49	0.0	-76.78	369.00	3.14	-73.64
C[C@H](C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300030722948	0	48	0.0	-70.85	365.52	3.67	-67.18
CC[N@@H+]1CCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030722957	1	49	0.0	-71.59	368.72	3.19	-68.40
CC[N@H+]1CCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030722957	1	49	0.0	-71.51	375.07	3.01	-68.50
CC(C)[N@@H+]1CCCC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030722970	0	58	0.0	-66.11	420.43	5.03	-61.08
CC(C)[N@H+]1CCCC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030722970	1	58	0.0	-66.37	420.34	5.05	-61.32
CCC(C)(C)[NH2+]C(C)C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030722985	0	57	0.0	-71.69	411.98	3.09	-68.60
C#CC[N@H+]1CCCCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030723029	1	54	0.0	-68.73	414.38	6.04	-62.69
C#CC[N@@H+]1CCCCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030723029	1	54	0.0	-70.58	417.43	5.09	-65.49
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030723030	1	51	0.0	-68.17	400.67	2.96	-65.21
NC1=CC=[NH+]C=C1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030723031	0	45	0.0	-76.84	356.63	1.27	-75.57
CCCC(C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300030723040	0	54	0.0	-73.78	401.78	5.21	-68.57
C[NH+](C)C(C)(C)C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030723047	0	51	0.0	-76.47	372.17	2.78	-73.69
CC(CC[NH+](C)C)C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030723066	0	54	0.0	-76.73	407.99	4.32	-72.41
O=C(NC1CCC2CN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)CC21)C1=CC(=O)[N-]O1	REAL300030723137	0	54	0.0	-73.86	412.67	4.89	-68.97
O=C(NC1CCC2CN(C(=O)C34CC(C3)C[N@H+]4C3CC3)CC21)C1=CC(=O)[N-]O1	REAL300030723137	1	54	0.0	-75.13	404.27	5.39	-69.74
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030723176	0	55	0.0	-67.15	406.03	4.94	-62.21
C[N@H+]1CC(C)(C)CC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030723176	1	55	0.0	-72.35	410.92	4.01	-68.34
C[NH+](C)CCCCCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030723181	0	57	0.0	-76.67	438.46	5.30	-71.37
O=C(CC[NH+]1CCC(O)CC1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030723185	0	56	0.0	-79.21	426.88	1.51	-77.70
CCC[N@@H+]1CCCCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030723189	0	58	0.0	-72.01	423.75	5.07	-66.94
CCC[N@H+]1CCCCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030723189	1	58	0.0	-72.51	420.71	5.25	-67.26
C[NH+]1CCN(CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300030723199	1	54	0.0	-74.20	410.64	1.85	-72.35
CC1C[N@H+](C)CC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)O1	REAL300030723301	1	53	0.0	-78.98	399.24	3.23	-75.75
CC1C[N@@H+](C)CC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)O1	REAL300030723301	1	53	0.0	-88.57	403.03	3.63	-84.94
CCC1CCC[N@H+](CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030723334	0	58	0.0	-74.14	432.76	5.46	-68.68
CCC1CCC[N@@H+](CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030723334	1	58	0.0	-73.62	430.00	6.46	-67.16
C[NH+](C)CC1=CC=C(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)N1	REAL300030723343	0	53	0.0	-70.36	414.22	4.00	-66.36
O=C(C[NH+]1CC2CC2C1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030723358	0	50	0.0	-74.03	387.43	4.30	-69.73
O=C(CC1([NH+]2CCCC2)CC1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030723371	0	56	0.0	-71.48	416.72	5.13	-66.35
C[N@@H+]1CCCCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030723410	0	52	0.0	-70.41	389.54	4.91	-65.50
C[N@H+]1CCCCC1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030723410	1	52	0.0	-73.75	384.10	3.66	-70.09
C[N@@H+]1CCC(=CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030723533	0	50	0.0	-77.77	385.87	4.13	-73.64
C[N@H+]1CCC(=CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030723533	1	50	0.0	-77.69	385.87	4.15	-73.54
O=C(CNC1=CC=[NH+]C=C1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030723538	0	48	0.0	-74.82	384.34	1.88	-72.94
CC[NH+]1CCN(CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300030723595	0	57	0.0	-73.19	427.88	2.49	-70.70
O=C(C=C1C[NH+]2CCC1CC2)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030723598	0	54	0.0	-68.09	404.47	5.74	-62.35
C[NH+](C)C1(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CCCC1	REAL300030723636	0	55	0.0	-78.55	392.07	3.94	-74.61
C[N@H+](CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[C@@H]1CCC[C@H]1O	REAL300030723647	0	56	0.0	-67.84	419.18	2.00	-65.84
C[N@@H+](CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[C@@H]1CCC[C@H]1O	REAL300030723647	1	56	0.0	-71.47	419.70	1.83	-69.64
CCC1C[NH+](CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030723653	0	52	0.0	-75.07	404.26	4.21	-70.86
O=C(NC1CCC2CN(C(=O)C3([NH+]4CCCC4)CCC3)CC21)C1=CC(=O)[N-]O1	REAL300030723657	0	56	0.0	-75.42	406.07	4.79	-70.63
C[N@@H+]1CCC[C@H]1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030723671	0	49	0.0	-70.53	375.31	3.26	-67.27
C[N@H+]1CCC[C@H]1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030723671	1	49	0.0	-72.81	367.19	3.07	-69.74
CC[N@@H+]1CCOCC1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030723702	0	56	0.0	-78.42	416.95	3.13	-75.29
NC1=NC2=CC(C(=O)N3CC4CCC(NC(=O)C5=CC(=O)[N-]O5)C4C3)=CC=C2N1	REAL300030723792	0	49	0.0	-77.70	392.91	3.26	-74.44
NC1=[NH+]C2=CC(C(=O)N3CC4CCC(NC(=O)C5=CC(=O)[N-]O5)C4C3)=CC=C2N1	REAL300030723792	1	49	0.0	-77.70	392.91	3.26	-74.44
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030723830	0	52	0.0	-75.28	401.21	4.10	-71.18
C[NH+](C)C1CCC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300030723845	0	58	0.0	-69.97	420.61	4.85	-65.12
C[NH+](C)CCC1(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300030723846	0	55	0.0	-75.08	424.83	4.82	-70.26
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300030723848	0	58	0.0	-63.94	420.28	4.77	-59.17
C[N@@H+]1CC=CCC1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030723849	0	53	0.0	-66.67	398.61	4.48	-62.19
C[N@H+]1CC=CCC1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030723849	1	53	0.0	-64.87	395.12	5.37	-59.50
CC1=CC(C=CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=C[NH+]=C1N	REAL300030723899	1	52	0.0	-78.53	416.18	3.41	-75.12
C[NH+](C)CCOCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030723912	0	52	0.0	-74.51	407.46	3.49	-71.02
CCCCC[N@H+](C)CCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030723918	0	60	0.0	-78.03	456.18	5.89	-72.14
CCCCC[N@@H+](C)CCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030723918	1	60	0.0	-78.16	456.18	5.90	-72.26
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)O1	REAL300030723930	0	56	0.0	-76.29	427.30	4.48	-71.81
[NH2+]=C1SC=CN1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030723955	0	45	0.0	-69.61	379.18	2.59	-67.02
C[C@@H](OCC[NH+](C)C)C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030724029	0	55	0.0	-72.50	423.10	3.94	-68.56
O=C(CC[NH+]1CCCCCC1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030724073	0	58	0.0	-75.94	424.20	5.23	-70.71
C[N@@H+]1CCCC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030724079	0	52	0.0	-75.16	386.86	3.77	-71.39
C[N@H+]1CCCC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030724079	1	52	0.0	-75.16	386.86	3.77	-71.39
O=C(C[NH+]1CCCCCC1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030724083	0	55	0.0	-73.07	403.22	4.47	-68.60
CN1C=C[N+](CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=C1	REAL300030724088	0	47	0.0	-71.36	380.05	6.88	-64.48
CN(C)CC1=CC=C(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)O1	REAL300030724106	0	52	0.0	-84.46	413.11	4.23	-80.23
C[NH+](C)CC1=CC=C(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)O1	REAL300030724106	1	52	0.0	-84.46	413.11	4.23	-80.23
O=C(CN1CCC(O)CC1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030724126	0	53	0.0	-78.71	405.69	0.96	-77.75
O=C(C[NH+]1CCC(O)CC1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030724126	1	53	0.0	-78.71	405.69	0.96	-77.75
C[N@H+](CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C1CC1	REAL300030724131	0	49	0.0	-70.65	378.05	4.03	-66.62
CC(C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)N1CCN(C)CC1	REAL300030724133	0	57	0.0	-75.55	428.69	2.35	-73.20
CC(C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)N1CC[NH+](C)CC1	REAL300030724133	1	57	0.0	-75.55	428.69	2.35	-73.20
O=C(CC[N@H+]1CCC(F)C1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030724136	0	52	0.0	-80.53	406.07	4.19	-76.34
COC1C[N@H+](C)C(C)(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030724147	0	56	0.0	-65.47	410.52	3.08	-62.39
CC(CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C[NH+](C)C	REAL300030724167	0	54	0.0	-76.71	408.78	4.39	-72.32
O=C(NC1CCC2CN(C(=O)C3CC[N@@H+]4CCOCC34)CC21)C1=CC(=O)[N-]O1	REAL300030724183	0	54	0.0	-79.41	408.48	2.54	-76.87
O=C(NC1CCC2CN(C(=O)C3CC[N@H+]4CCOCC34)CC21)C1=CC(=O)[N-]O1	REAL300030724183	1	54	0.0	-79.41	408.48	2.54	-76.87
CN1CCOCC1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030724205	0	53	0.0	-81.43	401.98	2.19	-79.24
C[N@@H+]1CCOCC1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030724205	1	53	0.0	-82.86	399.18	3.22	-79.64
C[N@H+]1CCOCC1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030724205	1	53	0.0	-82.86	399.18	3.22	-79.64
CC1=CC(N)=NC=C1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030724268	0	48	0.0	-77.83	377.69	2.55	-75.28
CC1=CC(N)=[NH+]C=C1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030724268	1	48	0.0	-77.83	377.69	2.55	-75.28
CC1(O)CC[N@H+](CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030724312	0	53	0.0	-71.22	403.89	1.72	-69.50
C[NH+]1CC(CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030724347	0	49	0.0	-75.33	383.03	3.19	-72.14
O=C(NC1CCC2CN(C(=O)C3CC[N@@H+]3C3CCCC3)CC21)C1=CC(=O)[N-]O1	REAL300030724352	0	56	0.0	-74.70	419.70	5.35	-69.35
O=C(NC1CCC2CN(C(=O)C3CC[N@H+]3C3CCCC3)CC21)C1=CC(=O)[N-]O1	REAL300030724352	1	56	0.0	-74.70	419.70	5.35	-69.35
C[N@H+](CCO)CCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030724389	0	52	0.0	-75.51	402.02	0.36	-75.15
C[N@@H+](CCO)CCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030724389	1	52	0.0	-75.51	402.02	0.36	-75.15
C[N@@H+]1CCCCC1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030724412	0	55	0.0	-76.24	406.88	5.49	-70.75
C[N@H+]1CCCCC1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030724412	1	55	0.0	-76.24	406.88	5.49	-70.75
CC1=C2C=C(C(=O)N3CC4CCC(NC(=O)C5=CC(=O)[N-]O5)C4C3)C=CN2C=N1	REAL300030724434	0	50	0.0	-76.98	409.10	6.39	-70.59
CC1=C2C=C(C(=O)N3CC4CCC(NC(=O)C5=CC(=O)[N-]O5)C4C3)C=CN2C=[NH+]1	REAL300030724434	1	50	0.0	-76.98	409.10	6.39	-70.59
CC1CCN1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030724439	0	49	0.0	-71.78	377.66	3.17	-68.61
CC1CC[N@@H+]1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030724439	1	49	0.0	-72.14	380.01	3.69	-68.45
CC1CC[N@H+]1CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030724439	1	49	0.0	-72.14	380.01	3.69	-68.45
C[NH+](C)CC=CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030724453	0	49	0.0	-79.36	385.11	3.83	-75.53
CC1(C)CN(CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030724466	0	52	0.0	-74.34	402.01	3.93	-70.41
CC1(C)C[NH+](CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C1	REAL300030724466	1	52	0.0	-74.34	402.01	3.93	-70.41
CC1=C(C)NC(CCC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=N1	REAL300030724485	0	53	0.0	-69.93	421.82	3.67	-66.26
CC1=C(C)[NH+]=C(CCC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)N1	REAL300030724485	1	53	0.0	-69.93	421.82	3.67	-66.26
CC1=C2C=C(C(=O)N3CC4CCC(NC(=O)C5=CC(=O)[N-]O5)C4C3)C=CN2C=N1	REAL300030724496	0	50	0.0	-76.98	409.10	6.39	-70.59
CC1=C2C=C(C(=O)N3CC4CCC(NC(=O)C5=CC(=O)[N-]O5)C4C3)C=CN2C=[NH+]1	REAL300030724496	1	50	0.0	-76.98	409.10	6.39	-70.59
C[NH+](C)CCSCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030724506	0	52	0.0	-80.77	418.49	4.32	-76.45
O=C(C[N@H+]1CCCC1CO)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030724532	0	53	0.0	-70.22	397.37	0.90	-69.32
CC[NH+](CC)CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030724536	0	51	0.0	-71.62	380.65	4.44	-67.18
C[N@H+](CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C1CCSC1	REAL300030724547	0	53	0.0	-76.95	408.10	5.61	-71.34
O=C(CN1CCC1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030724549	0	46	0.0	-74.41	362.19	2.83	-71.58
O=C(C[NH+]1CCC1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030724549	1	46	0.0	-74.41	362.19	2.83	-71.58
CC[NH+](CC)CCC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030724600	0	54	0.0	-75.76	406.70	5.30	-70.46
O=C(NC1CCC2CN(C(=O)C3CC4COCC[N@@H+]4C3)CC21)C1=CC(=O)[N-]O1	REAL300030724692	0	54	0.0	-73.14	403.55	2.78	-70.36
O=C(NC1CCC2CN(C(=O)C3CC4COCC[N@H+]4C3)CC21)C1=CC(=O)[N-]O1	REAL300030724692	1	54	0.0	-73.14	403.55	2.78	-70.36
CC(C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)N1CCC1	REAL300030724707	0	49	0.0	-71.44	375.27	3.08	-68.36
CC(C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+]1CCC1	REAL300030724707	1	49	0.0	-71.44	375.27	3.08	-68.36
CCC(CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C[NH+](C)C	REAL300030724714	0	57	0.0	-77.33	423.41	4.88	-72.45
C[NH+](C)CC(C)(C)C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030724722	0	54	0.0	-75.29	393.50	3.55	-71.74
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030724786	0	52	0.0	-70.44	392.33	3.90	-66.54
CC1CN2CC[N@@H+]1CC2C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030724801	0	55	0.0	-81.00	397.46	1.23	-79.77
C[NH+](C)CC(O)CC(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030724822	0	52	0.0	-80.48	404.30	1.39	-79.09
C[NH+]1C2CCC1CC(C(=O)N1CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C1)C2	REAL300030724825	0	56	0.0	-76.18	408.34	4.40	-71.78
C=CCC(C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1)[NH+](C)C	REAL300030724858	0	52	0.0	-68.07	390.30	4.71	-63.36
O=C(NC1CCC2CN(C(=O)C3CC4CCCC[N@@H+]4C3)CC21)C1=CC(=O)[N-]O1	REAL300030724868	0	56	0.0	-71.18	411.71	5.88	-65.30
O=C(NC1CCC2CN(C(=O)C3CC4CCCC[N@H+]4C3)CC21)C1=CC(=O)[N-]O1	REAL300030724868	1	56	0.0	-71.92	415.11	4.96	-66.96
C[NH+]1CCC(C)(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300030724879	0	55	0.0	-72.63	395.81	4.08	-68.55
C[NH+]1CCC(O)(CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)CC1	REAL300030724881	0	56	0.0	-75.57	419.39	2.97	-72.60
CC1=C2C=C(C(=O)NC3CCC4CN(C(=O)C5=CC(=O)[N-]O5)CC43)C=CN2C=[NH+]1	REAL300030724963	1	50	0.0	-75.73	401.18	6.35	-69.38
C[NH+](C)CCSCC(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030724972	0	52	0.0	-73.59	412.81	4.39	-69.20
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CC2COCC[N@@H+]2C1	REAL300030724980	0	54	0.0	-72.11	407.46	2.66	-69.45
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1CC2COCC[N@H+]2C1	REAL300030724980	1	54	0.0	-73.83	407.55	2.63	-71.20
C[N@@H+]1CCCC1C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030725144	0	54	0.0	-70.37	388.14	4.35	-66.02
C[N@H+]1CCCC1C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030725144	1	54	0.0	-71.21	388.02	4.32	-66.89
C[N@@H+]1CCOC(C(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030725168	1	55	0.0	-79.13	405.61	4.25	-74.88
C[N@H+]1CCOC(C(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030725168	1	55	0.0	-80.06	405.49	4.20	-75.86
CC(C)[N@@H+]1CCCC1C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030725318	0	60	0.0	-65.65	427.23	5.80	-59.85
CC(C)[N@H+]1CCCC1C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030725318	1	60	0.0	-64.15	427.97	5.88	-58.27
CC1=[NH+]C=CN1CC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030725348	1	52	0.0	-66.69	397.56	5.43	-61.26
CC(C)(CNC(=O)C1C[NH+]2CCC1CC2)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030725370	0	58	0.0	-80.95	410.35	5.56	-75.39
C[C@@H]1[C@H](C(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030725403	0	57	0.0	-69.13	405.88	5.02	-64.11
C[C@@H]1[C@H](C(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030725403	1	57	0.0	-71.25	411.30	4.92	-66.33
CC[C@@H]1[C@@H](C(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030725405	0	60	0.0	-71.08	424.99	5.38	-65.70
CC[C@@H]1[C@@H](C(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030725405	1	60	0.0	-70.73	429.06	5.83	-64.90
CC[N@@H+]1CCOC(C(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030725411	1	58	0.0	-83.79	423.27	4.82	-78.97
CC[N@H+]1CCOC(C(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030725411	1	58	0.0	-79.26	416.12	4.69	-74.57
CC[NH+](CC)CC(F)C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030725437	0	59	0.0	-68.06	427.24	5.44	-62.62
CC1CCC(C)[NH+]1CC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030725470	0	60	0.0	-65.97	425.99	5.71	-60.26
CC(C)(CNC(=O)CCC[NH+]1CCCC1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030725473	0	60	0.0	-71.97	438.71	6.28	-65.69
CC(C)(CNC(=O)CC[NH+]1CCCCC1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030725476	0	60	0.0	-71.46	431.59	6.15	-65.31
CC[N@@H+]1CCCCC1C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030725479	0	60	0.0	-61.45	428.61	6.01	-55.44
CC[N@H+]1CCCCC1C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030725479	1	60	0.0	-67.68	417.99	5.96	-61.72
C[NH+](C)C1(C(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300030725489	0	57	0.0	-64.91	401.49	5.37	-59.54
CC(C)[C@@H](C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030725495	0	59	0.0	-64.55	417.65	5.97	-58.58
C[N@H+](CC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030725519	0	57	0.0	-65.80	415.10	5.72	-60.08
C[N@@H+](CC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030725519	1	57	0.0	-65.86	414.25	5.79	-60.07
C#CC[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030725584	1	56	0.0	-68.50	414.57	5.58	-62.92
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030725584	1	56	0.0	-67.63	420.75	6.07	-61.56
C[N@@H+]1CCCC1CCC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030725589	0	60	0.0	-71.60	435.85	6.19	-65.41
C[N@H+]1CCCC1CCC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030725589	1	60	0.0	-70.95	428.81	5.86	-65.09
C[NH+]1CCC(C(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030725605	0	57	0.0	-73.76	413.63	5.41	-68.35
C[N@@H+]1CCCCC1C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030725639	0	57	0.0	-63.28	411.06	5.29	-57.99
C[N@H+]1CCCCC1C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030725639	1	57	0.0	-64.79	401.60	5.18	-59.61
CC(C)(CNC(=O)C1=CN2C=[NH+]C=C2C=C1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030725700	0	52	0.0	-73.54	398.21	7.23	-66.31
CC(C)(CNC(=O)CC[NH+]1CCOCC1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030725706	1	58	0.0	-73.78	424.31	3.76	-70.02
CC1=C[NH+]=CN1CC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030725719	1	52	0.0	-67.16	397.81	6.08	-61.08
CC(C)(CNC(=O)C12CCC[NH+]1CCC2)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030725738	0	58	0.0	-75.10	412.62	5.72	-69.38
C[N@@H+]1CCC(CC(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030725747	0	57	0.0	-74.30	415.14	5.36	-68.94
C[N@H+]1CCC(CC(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030725747	1	57	0.0	-72.13	415.45	5.37	-66.76
CCC(C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030725754	0	56	0.0	-65.98	400.90	4.91	-61.07
CC(C)(CNC(=O)C1=CC2=C[NH+]=CN2C=C1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030725781	1	52	0.0	-78.42	398.34	7.27	-71.15
C[NH+](C)CCCCC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030725809	0	59	0.0	-75.26	434.25	5.88	-69.38
CC(C)C(C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030725821	0	59	0.0	-64.76	412.98	5.33	-59.43
CCC[N@H+](C)CCC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030725822	0	59	0.0	-72.84	429.63	5.69	-67.15
CCC[N@@H+](C)CCC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030725822	1	59	0.0	-72.34	430.48	5.70	-66.64
CCC[N@H+](C)CC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030725825	0	56	0.0	-68.43	408.11	5.16	-63.27
CCC[N@@H+](C)CC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030725825	1	56	0.0	-68.13	407.36	5.23	-62.90
CC(C)(CNC(=O)C12CC[N@H+](C1)CCC2)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030725839	0	58	0.0	-73.39	410.06	5.04	-68.35
CC(C)(CNC(=O)C12CC[N@@H+](C1)CCC2)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030725839	1	58	0.0	-72.39	409.93	4.97	-67.42
C[N@@H+]1CCC[C@@H]1C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030725865	0	54	0.0	-64.02	388.32	4.33	-59.69
C[N@H+]1CCC[C@@H]1C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030725865	1	54	0.0	-67.51	394.43	4.81	-62.70
CC[NH+](CC)CC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030725898	0	56	0.0	-68.02	399.04	4.80	-63.22
CC1CC[NH+](CC(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030725958	0	60	0.0	-69.69	430.98	6.23	-63.46
C[NH+](C)CC1(C(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030725978	0	57	0.0	-80.65	420.91	5.42	-75.23
C[NH+]1CCC(C(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030726030	0	57	0.0	-73.76	413.63	5.41	-68.35
CC(C)[C@H](C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030726046	0	59	0.0	-65.06	414.38	5.24	-59.82
CCC(C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300030726074	0	62	0.0	-64.40	430.41	5.76	-58.64
CC[N@H+](C)CCC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726107	0	56	0.0	-72.24	408.14	4.96	-67.28
CC[N@@H+](C)CCC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726107	1	56	0.0	-71.68	408.98	4.96	-66.72
CC1CCC[N@@H+]1CC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726133	0	57	0.0	-65.62	406.75	5.13	-60.49
CC1CCC[N@H+]1CC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726133	1	57	0.0	-65.14	413.49	5.58	-59.56
CC1CC[N@H+](CC(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030726134	0	57	0.0	-66.99	414.38	5.52	-61.47
CC1CC[N@@H+](CC(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030726134	1	57	0.0	-68.47	413.42	5.50	-62.97
CC(C)(CNC(=O)C[N@@H+]1CCC(C)(C)C1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726138	0	60	0.0	-67.36	433.93	6.07	-61.29
CC(C)(CNC(=O)C[N@H+]1CCC(C)(C)C1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726138	1	60	0.0	-66.95	434.37	6.01	-60.94
C[N@H+](CC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030726139	0	62	0.0	-68.59	435.72	6.24	-62.35
C[N@@H+](CC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030726139	1	62	0.0	-67.09	438.73	6.29	-60.80
CC[C@@H](C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030726147	0	56	0.0	-62.96	399.16	4.76	-58.20
C[NH+](C)CC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726243	0	50	0.0	-69.15	368.88	3.75	-65.40
CC(C)(CNC(=O)C[NH+]1CCCCCC1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726246	0	60	0.0	-66.85	419.96	5.81	-61.04
CN1C=C[N+](CC(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300030726249	0	52	0.0	-67.90	399.37	7.33	-60.57
C[N@@H+]1CCCC(C(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030726253	0	57	0.0	-65.13	406.65	5.65	-59.48
C[N@H+]1CCCC(C(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030726253	1	57	0.0	-65.93	406.55	5.62	-60.31
CC(C)(CNC(=O)C1CCC[N@@H+]1C1CC1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726258	0	58	0.0	-65.72	420.65	5.76	-59.96
CC(C)(CNC(=O)C1CCC[N@H+]1C1CC1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726258	1	58	0.0	-64.07	419.23	5.51	-58.56
CC(C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030726273	1	54	0.0	-68.83	398.68	4.69	-64.14
CCC(CC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030726277	0	62	0.0	-80.72	442.69	6.37	-74.35
C[NH+](C)CC(C)(C)C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726282	0	59	0.0	-71.92	418.01	5.55	-66.37
CC(C)(CNC(=O)C[NH+]1CCC(O)CC1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726295	1	58	0.0	-72.93	421.97	2.27	-70.66
C[N@H+](CC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030726296	0	54	0.0	-65.73	397.16	5.16	-60.57
C[N@@H+](CC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030726296	1	54	0.0	-65.76	398.52	5.17	-60.59
C[NH+]1CC(CC(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030726311	0	54	0.0	-73.45	400.33	4.57	-68.88
CC(C)(C)[N@@H+]1CCC1C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726322	0	60	0.0	-67.11	429.48	5.38	-61.73
CC(C)(C)[N@H+]1CCC1C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726322	1	60	0.0	-68.22	410.41	5.34	-62.88
C[C@@H](C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030726333	0	53	0.0	-65.24	386.91	4.14	-61.10
CC(C)(CNC(=O)CN1C=CSC1=[NH2+])C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726390	0	50	0.0	-67.02	395.11	3.92	-63.10
C[N@H+](CCO)CCC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726396	0	57	0.0	-70.87	419.33	1.75	-69.12
C[N@@H+](CCO)CCC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726396	1	57	0.0	-70.34	419.40	1.74	-68.60
C[C@@H](C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030726397	0	53	0.0	-65.24	386.91	4.14	-61.10
C[N@@H+]1CCCC[C@@H]1C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726401	0	57	0.0	-69.15	401.05	5.10	-64.05
C[N@H+]1CCCC[C@@H]1C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726401	1	57	0.0	-68.28	409.48	5.43	-62.85
C[N@@H+]1CCC(=CC(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030726468	0	55	0.0	-75.27	406.89	5.29	-69.98
C[N@H+]1CCC(=CC(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030726468	1	55	0.0	-74.73	407.32	5.22	-69.51
C[NH+](C)CCOCC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726489	0	57	0.0	-69.51	424.76	4.80	-64.71
C=CCC(C)(C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030726502	0	60	0.0	-72.93	422.32	6.10	-66.83
C[N@@H+]1CC(O)CC1(C)C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726523	0	58	0.0	-79.18	416.13	2.05	-77.13
CC1CN(CC(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030726541	0	54	0.0	-68.35	400.31	4.84	-63.51
CC1C[NH+](CC(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030726541	1	54	0.0	-68.35	400.31	4.84	-63.51
CN(CCO)CC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726559	0	54	0.0	-68.20	396.22	1.25	-66.95
C[N@H+](CCO)CC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726559	1	54	0.0	-68.95	395.65	1.16	-67.79
C[N@@H+](CCO)CC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726559	1	54	0.0	-68.95	395.65	1.16	-67.79
CC[N@@H+]1CCCC(C(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030726579	0	60	0.0	-69.73	430.28	6.02	-63.71
CC[N@H+]1CCCC(C(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030726579	1	60	0.0	-69.73	430.28	6.02	-63.71
CC(CC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030726581	0	59	0.0	-74.62	426.07	5.74	-68.88
CC[N@H+](C)CC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726586	0	53	0.0	-68.45	386.62	4.42	-64.03
CC[N@H+](CC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030726618	0	57	0.0	-65.41	413.92	5.79	-59.62
CC[NH+](CC)CCC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726628	0	59	0.0	-71.66	425.42	5.58	-66.08
CC(C)(CNC(=O)C[N@@H+]1CCC(C)(O)C1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726663	0	58	0.0	-67.04	425.12	2.19	-64.85
C[NH+](C)CC=CC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726666	0	54	0.0	-77.35	406.11	4.98	-72.37
CC(OCC[NH+](C)C)C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726675	0	60	0.0	-72.09	443.75	5.53	-66.56
C[NH+](C)CCOCCC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726681	0	60	0.0	-74.65	444.60	4.51	-70.14
COCCN(C)CC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726682	0	57	0.0	-68.34	417.90	3.57	-64.77
COCC[N@H+](C)CC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726682	1	57	0.0	-68.36	418.47	3.65	-64.71
COCC[N@@H+](C)CC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726682	1	57	0.0	-68.36	418.47	3.65	-64.71
C[NH+](C)C1(C(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300030726702	0	60	0.0	-66.23	420.10	6.46	-59.77
CC(CCC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030726704	0	59	0.0	-77.82	421.02	5.49	-72.33
CCN1CCC1C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726710	0	54	0.0	-67.19	392.74	4.39	-62.80
CC[N@@H+]1CCC1C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726710	1	54	0.0	-68.79	399.68	4.77	-64.02
CC[N@H+]1CCC1C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726710	1	54	0.0	-68.79	399.68	4.77	-64.02
CC(C)(CNC(=O)C[N@@H+]1CCCC1CO)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726722	0	58	0.0	-67.23	423.19	2.36	-64.87
C[NH+]1CCC(C)(C(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030726743	0	60	0.0	-61.79	426.30	5.82	-55.97
C=CCC(C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030726761	0	57	0.0	-66.36	414.97	5.39	-60.97
C[N@@H+]1CC(C)(C)CC1C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726768	0	60	0.0	-68.03	429.85	5.69	-62.34
C[NH+](C)CCCCCC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726770	0	62	0.0	-75.19	455.75	6.67	-68.52
CCCC(C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030726790	0	59	0.0	-66.18	422.41	5.69	-60.49
C[NH+](C)C(C)(C)C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726793	0	56	0.0	-70.51	396.34	4.90	-65.61
C[N@@H+]1CCCCC1C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726818	0	57	0.0	-64.79	401.60	5.18	-59.61
C[N@H+]1CC=C(CC(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030726841	0	58	0.0	-67.85	428.26	6.11	-61.74
C[N@@H+]1CC=C(CC(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030726841	1	58	0.0	-67.85	428.26	6.11	-61.74
CC(C)(CNC(=O)C=CC[NH+]1CCCC1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726875	0	58	0.0	-74.26	430.35	6.16	-68.10
C[NH+](C)C1(C(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030726905	0	54	0.0	-68.85	395.20	4.36	-64.49
CC(C)(CNC(=O)CC[NH+]1CCCC1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726907	0	57	0.0	-71.54	416.37	5.46	-66.08
CC(C)(CNC(=O)C1C[NH+]2CCN1CC2)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726930	0	57	0.0	-81.33	404.86	2.19	-79.14
C[N@@H+]1CC2CC1(C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030726934	0	55	0.0	-74.53	401.45	4.89	-69.64
C[N@H+]1CC2CC1(C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030726934	1	55	0.0	-69.74	398.05	5.31	-64.43
CC(C)(CNC(=O)C[N@@H+]1CC2CCC1C2)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726941	0	58	0.0	-68.46	413.89	5.99	-62.47
CC(C)(CNC(=O)C[N@H+]1CC2CCC1C2)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726941	1	58	0.0	-66.89	414.55	5.83	-61.06
CC(C)(CNC(=O)C[N@@H+]1CC2C=CC1C2)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726979	1	56	0.0	-66.59	406.90	5.59	-61.00
CC(C)(CNC(=O)C[N@H+]1CC2C=CC1C2)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726979	1	56	0.0	-63.73	407.26	5.68	-58.05
CC(C[NH+](C)C)C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030727011	0	56	0.0	-72.16	406.08	5.01	-67.15
C[N@@H+]1CCCCC1CC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030727055	0	60	0.0	-64.20	420.23	5.75	-58.45
C[N@H+]1CCCCC1CC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030727055	1	60	0.0	-72.52	428.12	5.95	-66.57
CC(C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300030727065	1	57	0.0	-66.07	415.67	5.47	-60.60
CC1CC[N@@H+]1CC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030727067	1	54	0.0	-68.66	394.04	4.60	-64.06
CC1CC[N@H+]1CC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030727067	1	54	0.0	-67.62	399.45	4.82	-62.80
C[NH+](C)CC(O)CC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030727070	0	57	0.0	-76.30	421.58	2.74	-73.56
CC1C[N@H+](C)CC(C(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030727090	1	58	0.0	-84.40	420.89	4.91	-79.49
CC1C[N@@H+](C)CC(C(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030727090	1	58	0.0	-84.55	419.80	4.91	-79.64
C[NH+](C)[C@H]1C[C@H](C(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030727132	0	57	0.0	-72.37	418.15	5.41	-66.96
CC(CC[NH+](C)C)C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030727137	0	59	0.0	-72.59	428.92	5.64	-66.95
C[NH+]1CCN(CC(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030727154	1	59	0.0	-72.96	428.06	3.25	-69.71
CC(C)(CNC(=O)CSC(N)=[NH2+])C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030727176	0	48	0.0	-72.57	376.81	0.70	-71.87
C[NH+](C)CCC1(C(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030727204	0	60	0.0	-71.00	442.91	6.23	-64.77
C[N@@H+]1CC=CCC1CC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030727205	0	58	0.0	-59.38	414.23	5.74	-53.64
C[N@H+]1CC=CCC1CC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030727205	1	58	0.0	-66.01	414.28	5.74	-60.27
C[C@@H](OCC[NH+](C)C)C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030727217	0	60	0.0	-71.93	444.44	5.54	-66.39
CCC1CN(CC(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030727295	0	57	0.0	-70.36	420.70	5.59	-64.77
CCC1C[NH+](CC(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030727295	1	57	0.0	-70.36	420.70	5.59	-64.77
C[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030727300	0	54	0.0	-63.90	388.84	4.31	-59.59
CC(C)(CNC(=O)CC[N@@H+]1CCC(F)C1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030727306	0	57	0.0	-76.33	423.21	5.57	-70.76
CC1C(C(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030727325	0	57	0.0	-66.90	409.16	4.98	-61.92
CC1C(C(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030727325	1	57	0.0	-66.90	409.16	4.98	-61.92
CN1CCOCC1CC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030727354	0	58	0.0	-67.09	411.61	3.37	-63.72
C[N@@H+]1CCOCC1CC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030727354	1	58	0.0	-69.22	411.17	3.42	-65.80
C[N@H+]1CCOCC1CC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030727354	1	58	0.0	-69.22	411.17	3.42	-65.80
C[N@@H+]1CCCC1C(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030727524	0	54	0.0	-69.71	389.82	4.27	-65.44
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CCN1CCOCC1	REAL300030727700	0	58	0.0	-74.76	425.43	4.01	-70.75
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CC[NH+]1CCOCC1	REAL300030727700	1	58	0.0	-74.76	425.43	4.01	-70.75
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC2=CN=CN2C=C1	REAL300030727712	0	52	0.0	-77.62	397.10	6.71	-70.91
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300030727712	1	52	0.0	-77.62	397.10	6.71	-70.91
C[N@@H+]1CCC(CC(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030727735	0	57	0.0	-65.15	417.29	5.48	-59.67
C[N@H+]1CCC(CC(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030727735	1	57	0.0	-65.15	417.29	5.48	-59.67
CCC(C(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030727742	0	56	0.0	-68.92	397.93	4.73	-64.19
C[NH+](C)CCCCC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030727775	0	59	0.0	-72.03	435.52	6.14	-65.89
CCC[N@H+](C)CCC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030727788	0	59	0.0	-66.30	432.32	5.79	-60.51
CCC[N@@H+](C)CCC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030727788	1	59	0.0	-66.30	432.32	5.79	-60.51
CCC[N@H+](C)CC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030727790	0	56	0.0	-63.78	409.77	5.19	-58.59
CCC[N@@H+](C)CC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030727790	1	56	0.0	-63.78	409.77	5.19	-58.59
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C12CC[N@H+](C1)CCC2	REAL300030727801	0	58	0.0	-71.70	403.02	4.83	-66.87
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300030727801	1	58	0.0	-71.70	403.02	4.83	-66.87
C[NH+](C)CC1(C(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030727860	0	57	0.0	-72.53	411.65	5.60	-66.93
CC[N@H+](C)CCC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030727876	0	56	0.0	-65.38	410.81	5.02	-60.36
CC[N@@H+](C)CCC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030727876	1	56	0.0	-65.50	410.82	5.05	-60.45
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1C[NH+]2CCC1CC2	REAL300030727888	0	58	0.0	-73.18	408.15	5.32	-67.86
C[NH+]1CCC(C(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030727927	0	57	0.0	-65.80	412.02	5.27	-60.53
CC[NH+](CC)CC(F)C(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030727983	0	59	0.0	-71.54	431.40	5.89	-65.65
CCC(C(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300030728014	0	62	0.0	-64.16	430.25	5.90	-58.26
CC1CCC[N@@H+]1CC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030728023	0	57	0.0	-67.23	416.19	5.65	-61.58
CC1CCC[N@H+]1CC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030728023	1	57	0.0	-60.61	416.83	5.59	-55.02
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030728058	0	60	0.0	-63.27	421.65	6.28	-56.99
CC(C)[N@H+]1CCCC1C(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030728058	1	60	0.0	-58.94	426.66	5.76	-53.18
CC1CC[N@H+](CC(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030728075	0	57	0.0	-62.80	416.68	5.57	-57.23
CC1CC[N@@H+](CC(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030728075	1	57	0.0	-63.27	417.24	5.55	-57.72
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300030728078	0	60	0.0	-62.55	436.96	6.17	-56.38
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C[N@H+]1CCC(C)(C)C1	REAL300030728078	1	60	0.0	-69.93	435.40	6.22	-63.71
C[N@H+](CC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030728079	0	62	0.0	-63.91	438.20	6.22	-57.69
C[N@@H+](CC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030728079	1	62	0.0	-61.65	446.46	6.74	-54.91
CC[C@@H](C(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030728086	0	56	0.0	-68.42	397.31	4.91	-63.51
CC1=[NH+]C=CN1CC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030728182	1	52	0.0	-60.66	400.57	5.45	-55.21
CC[N@@H+]1CCOC(C(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030728232	1	58	0.0	-71.42	409.21	4.59	-66.83
CC[N@H+]1CCOC(C(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030728232	1	58	0.0	-72.12	410.00	4.55	-67.57
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300030728255	0	52	0.0	-71.09	396.75	6.61	-64.48
CC1=C[NH+]=CN1CC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030728258	1	52	0.0	-60.42	400.90	6.18	-54.24
C[C@@H]1[C@H](C(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030728263	0	57	0.0	-73.28	395.93	4.60	-68.68
C[C@@H]1[C@H](C(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030728263	1	57	0.0	-72.68	402.11	4.88	-67.80
CC[C@@H]1[C@@H](C(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030728265	0	60	0.0	-67.35	422.59	5.30	-62.05
CC[C@@H]1[C@@H](C(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030728265	1	60	0.0	-63.36	429.26	5.64	-57.72
CC1CCC(C)[NH+]1CC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030728271	0	60	0.0	-59.84	427.51	5.69	-54.15
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CCC[NH+]1CCCC1	REAL300030728274	0	60	0.0	-70.26	439.93	6.45	-63.81
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CC[NH+]1CCCCC1	REAL300030728277	0	60	0.0	-71.13	434.84	6.42	-64.71
C[N@H+](CC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030728353	0	57	0.0	-60.46	416.55	5.77	-54.69
C[N@@H+](CC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030728353	1	57	0.0	-61.31	417.19	5.80	-55.51
C[NH+]1CCC(C(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030728379	0	57	0.0	-65.80	412.02	5.27	-60.53
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030728402	0	54	0.0	-65.55	389.09	4.29	-61.26
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030728402	1	54	0.0	-61.69	394.22	4.75	-56.94
C[N@@H+]1CCCC1CCC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030728420	0	60	0.0	-69.31	432.73	5.83	-63.48
C[N@H+]1CCCC1CCC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030728420	1	60	0.0	-69.20	431.91	6.04	-63.16
CC1C(C(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030728520	0	57	0.0	-70.39	409.70	5.08	-65.31
CC1C(C(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030728520	1	57	0.0	-62.67	408.66	4.84	-57.83
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030728562	0	60	0.0	-67.58	410.56	4.94	-62.64
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030728562	1	60	0.0	-66.84	431.14	5.66	-61.18
C[C@@H](C(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030728576	0	53	0.0	-68.78	385.70	4.09	-64.69
C=CCC(C)(C(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030728590	0	60	0.0	-70.99	412.72	5.66	-65.33
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CC[NH+]1CCCC1	REAL300030728605	0	57	0.0	-71.30	419.17	5.69	-65.61
C[N@H+](CCO)CC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030728614	1	54	0.0	-63.49	398.62	1.21	-62.28
C[N@@H+](CCO)CC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030728614	1	54	0.0	-63.01	398.46	1.13	-61.88
C[N@H+]1CC=C(CC(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030728660	0	58	0.0	-63.60	430.89	6.18	-57.42
C[N@@H+]1CC=C(CC(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030728660	1	58	0.0	-62.08	430.52	6.19	-55.89
CC1C[NH+](CC(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030728704	1	54	0.0	-63.78	401.98	4.89	-58.89
CC[N@@H+]1CCCC(C(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030728708	0	60	0.0	-63.03	423.04	6.25	-56.78
CC[N@H+]1CCCC(C(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030728708	1	60	0.0	-63.65	415.37	5.91	-57.74
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CC1=CC=C[NH+]=C1N	REAL300030728712	0	53	0.0	-61.45	405.39	3.67	-57.78
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1CCC[N@@H+]1C1CC1	REAL300030728718	0	58	0.0	-59.85	424.65	6.10	-53.75
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1CCC[N@H+]1C1CC1	REAL300030728718	1	58	0.0	-69.67	403.73	5.55	-64.12
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C=CC[NH+]1CCCC1	REAL300030728740	0	58	0.0	-65.17	431.41	6.26	-58.91
CC[N@H+](C)CC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030728774	0	53	0.0	-63.47	388.27	4.44	-59.03
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CN1CC2C=CC1C2	REAL300030728803	0	56	0.0	-58.80	410.84	5.70	-53.10
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C[N@@H+]1CC2C=CC1C2	REAL300030728803	1	56	0.0	-61.46	410.45	5.80	-55.66
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C[N@H+]1CC2C=CC1C2	REAL300030728803	1	56	0.0	-61.46	410.45	5.80	-55.66
CC(OCC[NH+](C)C)C(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030728873	0	60	0.0	-69.84	441.69	5.16	-64.68
C[NH+](C)CCOCCC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030728880	0	60	0.0	-70.42	446.82	4.74	-65.68
COCC[N@H+](C)CC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030728882	1	57	0.0	-62.55	420.71	3.53	-59.02
COCC[N@@H+](C)CC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030728882	1	57	0.0	-63.68	420.88	3.61	-60.07
CC(CCC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030728885	0	59	0.0	-74.90	422.72	5.75	-69.15
C[NH+]1CCC(=CC(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030728894	0	58	0.0	-69.51	423.41	6.06	-63.45
CC[N@H+](CC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030728899	0	57	0.0	-66.61	418.22	5.99	-60.62
CC[N@@H+](CC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030728899	1	57	0.0	-67.68	416.57	5.93	-61.75
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C[N@@H+]1CC2CCC1C2	REAL300030728929	0	58	0.0	-68.15	417.27	6.03	-62.12
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C[N@H+]1CC2CCC1C2	REAL300030728929	1	58	0.0	-61.37	417.20	5.90	-55.47
CC(C[NH+](C)C)C(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030728942	0	56	0.0	-72.07	406.92	4.83	-67.24
C[C@H](C(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030728966	0	53	0.0	-63.96	387.67	4.16	-59.80
CC[N@@H+]1CCC1C(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030728971	1	54	0.0	-60.50	391.22	4.23	-56.27
CC[N@H+]1CCC1C(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030728971	1	54	0.0	-63.12	402.49	4.84	-58.28
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030728979	0	62	0.0	-68.78	435.25	4.50	-64.28
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=C[NH+]=CC=C1N	REAL300030729003	0	50	0.0	-71.65	378.55	1.88	-69.77
CCCC(C(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030729011	0	59	0.0	-67.92	417.07	5.42	-62.50
CC(CC[NH+](C)C)C(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030729026	0	59	0.0	-71.78	430.61	5.72	-66.06
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030729075	0	60	0.0	-69.21	427.76	5.51	-63.70
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030729075	1	60	0.0	-68.63	429.17	5.57	-63.06
C[NH+](C)CCCCCC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030729077	0	62	0.0	-71.11	457.02	6.93	-64.18
C[NH+]1CCN(CC(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030729084	1	59	0.0	-62.69	429.62	3.28	-59.41
CC1C[N@H+](C)CC(C(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030729129	1	58	0.0	-71.21	418.47	4.59	-66.62
CC1C[N@@H+](C)CC(C(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030729129	1	58	0.0	-80.55	418.99	4.77	-75.78
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C[NH+]1CC2CC2C1	REAL300030729157	0	55	0.0	-63.18	407.07	5.72	-57.46
C[N@@H+]1CCCCC1C(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030729177	0	57	0.0	-66.65	407.54	5.29	-61.36
C[N@H+]1CCCCC1C(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030729177	1	57	0.0	-69.90	398.84	5.15	-64.75
C[N@@H+]1CCC(=CC(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030729231	0	55	0.0	-66.57	408.99	5.45	-61.12
C[N@H+]1CCC(=CC(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030729231	1	55	0.0	-67.20	408.24	5.50	-61.70
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CNC1=CC=[NH+]C=C1	REAL300030729234	0	53	0.0	-70.03	406.55	3.21	-66.82
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030729292	0	54	0.0	-66.90	392.46	4.88	-62.02
C[N@H+]1CCC[C@H]1C(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030729292	1	54	0.0	-65.09	390.54	4.33	-60.76
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030729369	0	57	0.0	-71.08	419.35	5.70	-65.38
C[N@@H+]1CC=CCC1CC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030729377	0	58	0.0	-68.17	422.79	5.94	-62.23
C[N@H+]1CC=CCC1CC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030729377	1	58	0.0	-63.64	416.20	5.97	-57.67
C[NH+](C)CCOCC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030729409	0	57	0.0	-68.88	426.93	4.73	-64.15
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CN1C=CSC1=[NH2+]	REAL300030729428	0	50	0.0	-56.48	398.51	4.02	-52.46
C[C@@H](OCC[NH+](C)C)C(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030729457	0	60	0.0	-66.78	442.73	5.42	-61.36
C[N@@H+]1CCCC(C(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030729479	0	57	0.0	-66.03	411.18	5.15	-60.88
C[N@H+]1CCCC(C(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030729479	1	57	0.0	-66.03	411.18	5.15	-60.88
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C[NH+]1CCCCCC1	REAL300030729480	0	60	0.0	-64.43	422.10	5.88	-58.55
CN1C=C[N+](CC(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030729483	0	52	0.0	-62.07	402.34	7.37	-54.70
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CN1CCC(O)CC1	REAL300030729500	0	58	0.0	-68.39	423.29	2.29	-66.10
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C[NH+]1CCC(O)CC1	REAL300030729500	1	58	0.0	-68.39	423.29	2.29	-66.10
C[N@H+](CC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030729501	0	54	0.0	-61.24	399.93	5.20	-56.04
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CC[N@@H+]1CCC(F)C1	REAL300030729504	0	57	0.0	-67.65	425.34	5.69	-61.96
CC(CC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030729522	0	59	0.0	-65.24	427.90	5.82	-59.42
CN1CCOCC1CC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030729541	0	58	0.0	-71.11	420.80	3.65	-67.46
C[N@@H+]1CCOCC1CC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030729541	1	58	0.0	-63.93	414.26	3.54	-60.39
C[N@H+]1CCOCC1CC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030729541	1	58	0.0	-63.93	414.26	3.54	-60.39
CC1=CC(N)=NC=C1C(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030729569	0	53	0.0	-71.48	400.44	3.20	-68.28
CC1=CC(N)=[NH+]C=C1C(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030729569	1	53	0.0	-71.48	400.44	3.20	-68.28
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300030729594	0	58	0.0	-69.25	426.15	2.41	-66.84
C[NH+]1CC(CC(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030729619	0	54	0.0	-63.37	402.55	4.69	-58.68
C[N@H+](CCO)CCC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030729643	0	57	0.0	-64.03	421.26	1.86	-62.17
C[N@@H+](CCO)CCC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030729643	1	57	0.0	-64.03	421.26	1.86	-62.17
C[N@@H+]1CCCCC1CC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030729655	0	60	0.0	-60.64	422.46	5.87	-54.77
C[N@H+]1CCCCC1CC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030729655	1	60	0.0	-60.64	422.46	5.87	-54.77
CC1CCN1CC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030729667	0	54	0.0	-61.90	396.58	4.62	-57.28
CC1CC[N@@H+]1CC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030729667	1	54	0.0	-68.01	396.62	4.76	-63.25
CC1CC[N@H+]1CC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030729667	1	54	0.0	-68.01	396.62	4.76	-63.25
C[NH+](C)CC=CC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030729671	0	54	0.0	-74.56	407.60	5.05	-69.51
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CN1CC(C)(C)C1	REAL300030729676	0	57	0.0	-63.95	421.11	5.37	-58.58
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C[NH+]1CC(C)(C)C1	REAL300030729676	1	57	0.0	-63.95	421.11	5.37	-58.58
C[NH+](C)CCSCC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030729693	0	57	0.0	-75.51	437.94	5.79	-69.72
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C[N@@H+]1CCCC1CO	REAL300030729709	0	58	0.0	-61.78	426.25	2.39	-59.39
CC[NH+](CC)CC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030729713	0	56	0.0	-68.29	404.75	5.26	-63.03
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CN1CCC1	REAL300030729722	0	51	0.0	-70.48	381.10	4.42	-66.06
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C[NH+]1CCC1	REAL300030729722	1	51	0.0	-70.48	381.10	4.42	-66.06
CC[NH+](CC)CCC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030729746	0	59	0.0	-71.06	423.71	5.66	-65.40
CC(C(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1)N1CCC1	REAL300030729789	0	54	0.0	-68.08	395.77	4.73	-63.35
CC(C(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030729789	1	54	0.0	-68.08	395.77	4.73	-63.35
CCC(CC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030729794	0	62	0.0	-65.42	441.92	6.46	-58.96
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030729824	0	57	0.0	-63.13	411.38	5.41	-57.72
C[NH+](C)CC(O)CC(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030729843	0	57	0.0	-74.53	422.86	2.85	-71.68
C=CCC(C(=O)N1CCCC1C(C)(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030729864	0	57	0.0	-66.67	410.23	5.34	-61.33
C[NH+](C)CCSCC(=O)NCC(C)(C)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030729930	0	57	0.0	-78.69	435.78	5.68	-73.01
CCC(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729939	1	47	0.0	-70.20	375.81	1.84	-68.36
COCCC(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729940	1	51	0.0	-70.47	409.48	0.91	-69.56
CC(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729941	1	44	0.0	-70.36	355.48	1.03	-69.33
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1)C1CC1	REAL300030729942	1	48	0.0	-69.90	386.30	2.61	-67.29
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1)C1CCC1	REAL300030729943	1	51	0.0	-68.91	402.55	3.11	-65.80
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1)C1CCCC1	REAL300030729944	1	54	0.0	-69.05	418.85	3.72	-65.33
O=C(CC1CC1)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729945	1	51	0.0	-69.54	406.75	3.38	-66.16
CC(C)(F)C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729946	1	50	0.0	-69.71	401.48	2.55	-67.16
CC(F)(F)C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729947	1	47	0.0	-68.07	387.66	2.02	-66.05
COCC(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729948	1	48	0.0	-73.77	388.53	1.20	-72.57
CCCC(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729949	1	50	0.0	-70.12	397.31	2.60	-67.52
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1)C1=CC=CO1	REAL300030729950	1	48	0.0	-69.40	395.44	2.14	-67.26
CC(C)CC(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729951	1	53	0.0	-69.60	414.03	3.19	-66.41
CC1CC1C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729952	1	51	0.0	-69.84	407.70	3.28	-66.56
CCOCC(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729953	1	51	0.0	-73.72	410.38	2.16	-71.56
CC(C)=CC(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729954	1	51	0.0	-68.55	405.31	3.14	-65.41
CSCC(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729955	1	48	0.0	-73.28	398.87	2.26	-71.02
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1)C1=CC=CN1	REAL300030729956	1	49	0.0	-72.54	398.32	1.93	-70.61
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1)C1=COC=C1	REAL300030729957	1	48	0.0	-74.65	394.57	2.11	-72.54
CCCCC(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729958	1	53	0.0	-70.22	418.81	3.38	-66.84
CC(C)C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729959	1	50	0.0	-70.09	395.36	2.50	-67.59
CCC(C)C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729960	1	53	0.0	-70.07	413.48	3.15	-66.92
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1)C1=CC=NN1	REAL300030729961	1	48	0.0	-72.88	393.00	0.61	-72.27
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1)C1=CNN=C1	REAL300030729962	1	48	0.0	-72.14	393.31	0.58	-71.56
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1)C1=NOC=C1	REAL300030729963	1	47	0.0	-69.25	389.91	1.39	-67.86
CCC=C(C)C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729964	1	54	0.0	-70.05	424.50	3.89	-66.16
COC(C)C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729965	1	51	0.0	-73.81	408.32	1.90	-71.91
C=CCCC(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729966	1	51	0.0	-70.28	410.12	3.16	-67.12
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1)C1=COC=N1	REAL300030729967	1	47	0.0	-69.06	390.22	-1.27	-70.33
O=C(CCC1CC1)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729968	1	54	0.0	-70.36	428.90	4.16	-66.20
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1)C1CC=CC1	REAL300030729969	1	52	0.0	-69.55	411.35	3.60	-65.95
O=C(CC1CCC1)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729970	1	54	0.0	-70.34	423.70	3.89	-66.45
CC(C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1)C1CC1	REAL300030729971	1	54	0.0	-69.34	424.67	3.95	-65.39
CC=C(C)C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729972	1	51	0.0	-70.07	404.12	3.12	-66.95
CC1CC(C(=O)NCC2=CC=[NH+]C(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)=C2)C1	REAL300030729973	1	54	0.0	-69.94	422.24	3.71	-66.23
O=C(C=C1CCC1)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729974	1	52	0.0	-68.54	414.98	3.82	-64.72
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1)C1=CCCC1	REAL300030729975	1	52	0.0	-70.03	412.36	3.69	-66.34
CC1(C)CC1C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729976	1	54	0.0	-68.98	422.91	3.82	-65.16
CC1(C)C[C@@H]1C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729977	1	54	0.0	-68.92	422.92	3.83	-65.09
C#CCCCC(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729978	1	52	0.0	-73.39	424.59	3.90	-69.49
CCC(C)=CC(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729979	1	54	0.0	-68.37	426.83	3.90	-64.47
CC(C)C#CC(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729980	1	52	0.0	-70.46	425.20	3.85	-66.61
O=C(C#CC1CC1)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729981	1	50	0.0	-69.67	414.88	4.03	-65.64
C=C(C)CCC(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729982	1	54	0.0	-70.00	431.47	3.82	-66.18
CC1(C(=O)NCC2=CC=[NH+]C(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)=C2)CC1	REAL300030729983	1	51	0.0	-69.91	404.06	3.21	-66.70
CC1(CC(=O)NCC2=CC=[NH+]C(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)=C2)CC1	REAL300030729985	1	54	0.0	-68.83	427.24	3.86	-64.97
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1)C1=CN=CO1	REAL300030729986	1	47	0.0	-72.42	390.19	-1.16	-73.58
C=CC(C)(C)C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729987	1	54	0.0	-71.01	423.00	3.46	-67.55
C[C@@H]1C[C@H]1C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729988	1	51	0.0	-68.02	408.04	3.40	-64.62
CC1(C(=O)NCC2=CC=[NH+]C(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)=C2)CCC1	REAL300030729989	1	54	0.0	-70.10	419.53	3.64	-66.46
CCC(F)C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729990	1	50	0.0	-72.40	403.58	2.64	-69.76
O=C(CCCF)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729991	1	50	0.0	-73.58	403.90	2.74	-70.84
C[C@H]1C[C@@H]1C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729992	1	51	0.0	-68.89	407.71	3.28	-65.61
C=CCCCC(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729993	1	54	0.0	-70.78	431.62	3.95	-66.83
NC(=O)C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729994	1	45	0.0	-68.84	371.16	-2.84	-71.68
CC1CC1CC(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729995	1	54	0.0	-70.64	428.12	4.05	-66.59
CCC1(C(=O)NCC2=CC=[NH+]C(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)=C2)CC1	REAL300030729996	1	54	0.0	-70.48	428.74	3.88	-66.60
CC(C)(C)C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729997	1	53	0.0	-70.14	414.24	3.06	-67.08
CC[C@@H]1C[C@H]1C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030729998	1	54	0.0	-68.10	429.42	4.17	-63.93
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1)C1CC12CC2	REAL300030729999	1	52	0.0	-70.27	418.75	4.07	-66.20
C=CCC(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030730000	1	48	0.0	-70.78	388.72	2.38	-68.40
C=CC(O)C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030730002	1	49	0.0	-71.28	399.82	0.25	-71.03
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1)C1COC1	REAL300030730003	1	49	0.0	-71.52	393.17	0.34	-71.18
CO[C@H](C)C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030730004	1	51	0.0	-72.60	408.33	1.90	-70.70
CCC=CC(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030730005	1	51	0.0	-69.73	410.47	3.20	-66.53
O=C(CO)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030730007	1	45	0.0	-75.19	366.28	-1.08	-76.27
CC(O)C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030730008	1	48	0.0	-71.72	386.61	-0.29	-72.01
C=CCC(C)C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030730009	1	54	0.0	-70.13	426.76	3.70	-66.43
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1)C1CC1F	REAL300030730010	1	48	0.0	-69.40	393.12	2.70	-66.70
O=C(CCF)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030730011	1	47	0.0	-70.58	382.40	1.98	-68.60
CC(C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1)=C1CC1	REAL300030730012	1	52	0.0	-69.79	418.59	4.07	-65.72
CCC1CC1C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030730013	1	54	0.0	-68.95	423.60	4.06	-64.89
O=C(C=CCF)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030730014	1	48	0.0	-72.88	395.57	2.55	-70.33
C#CCCC(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030730015	1	49	0.0	-70.61	403.09	3.12	-67.49
C#C[C@H]1C[C@H]1C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030730016	1	50	0.0	-70.52	409.21	3.75	-66.77
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1)C1C2CCC21	REAL300030730017	1	52	0.0	-70.08	413.66	3.98	-66.10
C=C1CCC1C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030730018	1	52	0.0	-69.93	416.06	3.61	-66.32
C[C@H]1C(C(=O)NCC2=CC=[NH+]C(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)=C2)[C@H]1C	REAL300030730019	1	54	0.0	-68.04	416.82	3.90	-64.14
CC=CC=CC(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030730020	1	52	0.0	-69.74	424.55	3.88	-65.86
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1)C1CCO1	REAL300030730021	1	49	0.0	-75.32	394.70	1.38	-73.94
C#CCOCC(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030730022	1	50	0.0	-76.79	416.17	2.70	-74.09
CC(C)(O)C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030730023	1	51	0.0	-68.95	406.29	-0.74	-69.69
CC1=CC1C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030730024	1	49	0.0	-69.64	401.38	3.30	-66.34
C=C1CC(C(=O)NCC2=CC=[NH+]C(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)=C2)C1	REAL300030730025	1	52	0.0	-70.25	416.03	3.62	-66.63
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1)C1=CN=CN1	REAL300030730026	1	48	0.0	-75.36	393.14	1.68	-73.68
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1)C1=CCCO1	REAL300030730027	1	50	0.0	-67.53	403.91	1.71	-65.82
C[C@@H](O)C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030730028	1	48	0.0	-71.48	386.61	-0.29	-71.77
O=C(C=CCO)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030730029	1	49	0.0	-73.70	400.49	-0.92	-74.62
COC(F)C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030730030	1	48	0.0	-74.79	394.43	0.67	-74.12
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1)C12CC1CC2	REAL300030730031	1	52	0.0	-69.02	414.77	3.81	-65.21
C=C[C@H](C)CC(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030730032	1	54	0.0	-68.48	426.83	3.72	-64.76
O=C(C=CC1CC1)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030730033	1	52	0.0	-68.86	421.36	4.02	-64.84
CC=C(CC)C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030730034	1	54	0.0	-69.68	425.15	3.82	-65.86
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1)C1=CCC1	REAL300030730035	1	49	0.0	-70.61	396.25	3.11	-67.50
CON=CC(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030730036	1	48	0.0	-74.94	398.27	0.40	-74.54
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1)C1(F)CC1	REAL300030730037	1	48	0.0	-67.94	392.49	2.65	-65.29
C#CC(C)(C)C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030730038	1	52	0.0	-74.01	420.06	3.50	-70.51
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1)C1=NC=CN1	REAL300030730039	1	48	0.0	-69.28	394.26	0.86	-68.42
CCCC=CC(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030730040	1	54	0.0	-69.72	431.97	3.98	-65.74
CC=C(F)C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030730041	1	48	0.0	-67.29	394.35	2.50	-64.79
CC(CO)C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030730042	1	51	0.0	-70.82	405.94	-0.79	-71.61
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1)C1=CON=C1	REAL300030730043	1	47	0.0	-75.93	389.29	1.59	-74.34
C#CC1(C(=O)NCC2=CC=[NH+]C(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)=C2)CC1	REAL300030730044	1	50	0.0	-68.84	411.98	3.68	-65.16
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1)C1=COCC1	REAL300030730045	1	50	0.0	-70.77	402.51	1.68	-69.09
C[C@H](O)C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030730046	1	48	0.0	-70.81	386.62	-0.29	-71.10
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1)C1C=CCC1	REAL300030730047	1	52	0.0	-70.06	411.46	3.64	-66.42
C=C1CC1C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030730048	1	49	0.0	-70.37	399.88	3.18	-67.19
CC(CF)C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030730049	1	50	0.0	-70.55	401.33	2.64	-67.91
C=C(C)CC(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030730050	1	51	0.0	-70.57	410.33	3.03	-67.54
CC(C)=C(C)C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030730051	1	54	0.0	-69.23	419.33	3.91	-65.32
CC=CC(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030730052	1	48	0.0	-69.77	389.38	2.44	-67.33
C[C@@H]1C[C@H]1C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030730053	1	51	0.0	-68.02	408.04	3.40	-64.62
C=CC=CCC(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030730054	1	52	0.0	-71.41	423.97	3.81	-67.60
C#CCC(C)C(=O)NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030730055	1	52	0.0	-70.60	420.96	3.68	-66.92
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1)[C@H](O)CF	REAL300030730056	1	48	0.0	-74.29	392.92	-0.13	-74.42
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1)C1(O)CC1	REAL300030730057	1	49	0.0	-71.14	394.61	-0.46	-71.60
O=C(CC1CC1)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730058	1	51	0.0	-67.91	409.95	3.65	-64.26
CC(C)(F)C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730059	1	50	0.0	-66.14	399.62	2.52	-63.62
CC(F)(F)C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730060	1	47	0.0	-66.04	388.48	2.15	-63.89
COCC(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730061	1	48	0.0	-71.09	391.73	1.50	-69.59
CCCC(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730062	1	50	0.0	-67.65	400.51	2.88	-64.77
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC=CO3)CC2)=C1)C1=CC(=O)[N-]O1	REAL300030730063	1	48	0.0	-70.23	395.83	2.43	-67.80
CC(C)CC(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730064	1	53	0.0	-66.99	417.24	3.47	-63.52
CC1CC1C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730065	1	51	0.0	-66.58	404.92	3.54	-63.04
CCOCC(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730066	1	51	0.0	-71.10	413.59	2.46	-68.64
CC(C)=CC(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730067	1	51	0.0	-66.37	407.39	3.37	-63.00
CSCC(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730068	1	48	0.0	-70.42	402.07	2.57	-67.85
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC=CN3)CC2)=C1)C1=CC(=O)[N-]O1	REAL300030730069	1	49	0.0	-70.59	398.29	2.39	-68.20
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=COC=C3)CC2)=C1)C1=CC(=O)[N-]O1	REAL300030730070	1	48	0.0	-71.13	395.46	2.17	-68.96
CCCCC(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730071	1	53	0.0	-67.77	422.01	3.66	-64.11
CC(C)C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730072	1	50	0.0	-67.83	397.34	2.57	-65.26
CCC(C)C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730073	1	53	0.0	-71.88	415.62	3.20	-68.68
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=NNC=C3)CC2)=C1)C1=CC(=O)[N-]O1	REAL300030730074	1	48	0.0	-68.47	394.00	1.11	-67.36
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC=NN3)CC2)=C1)C1=CC(=O)[N-]O1	REAL300030730074	1	48	0.0	-70.29	392.98	0.92	-69.37
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CNN=C3)CC2)=C1)C1=CC(=O)[N-]O1	REAL300030730075	1	48	0.0	-71.32	393.23	0.44	-70.88
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=NOC=C3)CC2)=C1)C1=CC(=O)[N-]O1	REAL300030730076	1	47	0.0	-69.47	390.24	1.93	-67.54
CCC=C(C)C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730077	1	54	0.0	-67.82	421.56	3.71	-64.11
COC(C)C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730078	1	51	0.0	-76.04	407.71	1.95	-74.09
C=CCCC(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730079	1	51	0.0	-67.74	413.32	3.44	-64.30
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=COC=N3)CC2)=C1)C1=CC(=O)[N-]O1	REAL300030730080	1	47	0.0	-67.37	390.06	-0.07	-67.44
CC(C#N)C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730081	1	48	0.0	-81.62	397.73	2.25	-79.37
O=C(CCC1CC1)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730082	1	54	0.0	-67.82	432.12	4.44	-63.38
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3CC=CC3)CC2)=C1)C1=CC(=O)[N-]O1	REAL300030730083	1	52	0.0	-68.07	410.81	3.70	-64.37
O=C(CC1CCC1)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730084	1	54	0.0	-68.89	426.82	4.18	-64.71
CC(C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1)C1CC1	REAL300030730085	1	54	0.0	-72.53	428.23	4.12	-68.41
CC=C(C)C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730086	1	51	0.0	-72.06	403.40	3.00	-69.06
CC1CC(C(=O)N2CCN(C3=CC(CNC(=O)C4=CC(=O)[N-]O4)=CC=[NH+]3)CC2)C1	REAL300030730087	1	54	0.0	-71.47	425.05	3.93	-67.54
O=C(C=C1CCC1)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730088	1	52	0.0	-67.35	416.97	4.07	-63.28
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CCCC3)CC2)=C1)C1=CC(=O)[N-]O1	REAL300030730089	1	52	0.0	-67.51	410.06	3.61	-63.90
CC1(C)CC1C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730090	1	54	0.0	-67.60	425.61	4.05	-63.55
CC1(C)C[C@@H]1C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730091	1	54	0.0	-66.52	425.32	4.04	-62.48
C#CCCCC(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730092	1	52	0.0	-70.65	427.79	4.18	-66.47
CCC(C)=CC(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730093	1	54	0.0	-66.25	429.12	4.14	-62.11
CC(C)C#CC(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730094	1	52	0.0	-68.20	429.05	4.13	-64.07
O=C(C#CC1CC1)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730095	1	50	0.0	-69.31	418.73	4.30	-65.01
CCC(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730096	1	47	0.0	-67.85	379.01	2.11	-65.74
COCCC(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730097	1	51	0.0	-68.16	412.68	1.18	-66.98
CC(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730098	1	44	0.0	-68.07	358.70	1.34	-66.73
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3CC3)CC2)=C1)C1=CC(=O)[N-]O1	REAL300030730099	1	48	0.0	-67.70	388.70	2.82	-64.88
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3CCC3)CC2)=C1)C1=CC(=O)[N-]O1	REAL300030730100	1	51	0.0	-67.60	404.76	3.32	-64.28
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3CCCC3)CC2)=C1)C1=CC(=O)[N-]O1	REAL300030730101	1	54	0.0	-72.38	421.43	3.92	-68.46
C=CCCCC(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730102	1	54	0.0	-68.16	434.82	4.22	-63.94
NC(=O)C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730103	1	45	0.0	-66.66	371.42	-2.78	-69.44
CC1CC1CC(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730104	1	54	0.0	-67.95	431.32	4.32	-63.63
CCC1(C(=O)N2CCN(C3=CC(CNC(=O)C4=CC(=O)[N-]O4)=CC=[NH+]3)CC2)CC1	REAL300030730105	1	54	0.0	-67.52	429.25	3.84	-63.68
CC(C)(C)C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730106	1	53	0.0	-68.08	407.21	2.69	-65.39
C=C(C)CCC(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730107	1	54	0.0	-67.42	434.97	4.11	-63.31
CC[C@@H]1C[C@H]1C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730108	1	54	0.0	-68.58	431.85	4.28	-64.30
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3CC34CC4)CC2)=C1)C1=CC(=O)[N-]O1	REAL300030730109	1	52	0.0	-68.96	421.45	4.30	-64.66
CC1(CC(=O)N2CCN(C3=CC(CNC(=O)C4=CC(=O)[N-]O4)=CC=[NH+]3)CC2)CC1	REAL300030730110	1	54	0.0	-67.13	429.25	4.14	-62.99
CC1(C(=O)N2CCN(C3=CC(CNC(=O)C4=CC(=O)[N-]O4)=CC=[NH+]3)CC2)CC1	REAL300030730111	1	51	0.0	-68.52	405.58	3.11	-65.41
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CNC=C3)CC2)=C1)C1=CC(=O)[N-]O1	REAL300030730112	1	49	0.0	-68.52	399.38	2.03	-66.49
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CN=CO3)CC2)=C1)C1=CC(=O)[N-]O1	REAL300030730113	1	47	0.0	-70.28	390.20	-0.95	-71.23
C=CC(C)(C)C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730114	1	54	0.0	-68.71	415.95	3.08	-65.63
C[C@@H]1C[C@H]1C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730115	1	51	0.0	-68.64	410.37	3.51	-65.13
CC1(C(=O)N2CCN(C3=CC(CNC(=O)C4=CC(=O)[N-]O4)=CC=[NH+]3)CC2)CCC1	REAL300030730116	1	54	0.0	-68.88	418.49	3.51	-65.37
CCC(F)C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730117	1	50	0.0	-69.03	405.36	2.86	-66.17
O=C(CCCF)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730118	1	50	0.0	-70.65	407.10	3.02	-67.63
C[C@H]1C[C@@H]1C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730119	1	51	0.0	-67.52	410.12	3.50	-64.02
O=C(CO)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730121	1	45	0.0	-72.49	369.48	-0.79	-73.28
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3CCO3)CC2)=C1)C1=CC(=O)[N-]O1	REAL300030730122	1	49	0.0	-73.06	394.75	1.60	-71.46
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CCCO3)CC2)=C1)C1=CC(=O)[N-]O1	REAL300030730123	1	50	0.0	-68.61	404.21	2.13	-66.48
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3COC3)CC2)=C1)C1=CC(=O)[N-]O1	REAL300030730124	1	49	0.0	-70.63	395.67	0.57	-70.06
O=C(C=CCO)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730125	1	49	0.0	-71.15	402.58	-0.68	-71.83
CCC=CC(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730126	1	51	0.0	-67.59	412.56	3.44	-64.15
C#CCOCC(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730127	1	50	0.0	-73.92	419.37	2.99	-70.93
C#CCCC(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730128	1	49	0.0	-68.15	406.29	3.39	-64.76
CC=CC=CC(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730129	1	52	0.0	-67.64	426.64	4.11	-63.53
C#CCC(C)C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730130	1	52	0.0	-71.32	424.14	3.82	-67.50
C=CC(O)C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730131	1	49	0.0	-72.78	396.24	0.47	-72.31
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C34CC3CC4)CC2)=C1)C1=CC(=O)[N-]O1	REAL300030730132	1	52	0.0	-69.53	415.16	3.91	-65.62
C=C[C@H](C)CC(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730133	1	54	0.0	-68.33	430.09	4.03	-64.30
O=C(C=CC1CC1)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730134	1	52	0.0	-68.76	423.46	4.26	-64.50
CCC(C#N)C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730135	1	51	0.0	-70.69	416.06	2.72	-67.97
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3C4CCC43)CC2)=C1)C1=CC(=O)[N-]O1	REAL300030730136	1	52	0.0	-67.04	411.71	4.16	-62.88
C=C1CCC1C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730137	1	52	0.0	-68.57	412.87	3.60	-64.97
C[C@H]1C(C(=O)N2CCN(C3=CC(CNC(=O)C4=CC(=O)[N-]O4)=CC=[NH+]3)CC2)[C@H]1C	REAL300030730138	1	54	0.0	-67.33	419.19	3.99	-63.34
CC(O)C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730139	1	48	0.0	-73.00	386.11	-0.25	-73.25
CC(=O)C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730140	1	46	0.0	-65.77	377.92	1.03	-64.74
N#CCCCC(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730141	1	51	0.0	-76.70	421.36	3.39	-73.31
N#CC1(C(=O)N2CCN(C3=CC(CNC(=O)C4=CC(=O)[N-]O4)=CC=[NH+]3)CC2)CC1	REAL300030730142	1	49	0.0	-74.83	408.69	2.84	-71.99
C=C1CC(C(=O)N2CCN(C3=CC(CNC(=O)C4=CC(=O)[N-]O4)=CC=[NH+]3)CC2)C1	REAL300030730143	1	52	0.0	-67.74	418.36	3.84	-63.90
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3(F)CC3)CC2)=C1)C1=CC(=O)[N-]O1	REAL300030730144	1	48	0.0	-68.10	395.26	2.83	-65.27
CC(CC#N)C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730145	1	51	0.0	-73.37	417.74	3.00	-70.37
CCC1CC1C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730146	1	54	0.0	-67.38	431.80	4.28	-63.10
CCCC=CC(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730147	1	54	0.0	-67.54	434.06	4.22	-63.32
CC=C(F)C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730148	1	48	0.0	-65.17	394.43	2.67	-62.50
CC(=O)C=CC(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730149	1	50	0.0	-69.76	414.86	2.57	-67.19
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=NC=CN3)CC2)=C1)C1=CC(=O)[N-]O1	REAL300030730150	1	48	0.0	-68.17	394.29	1.64	-66.53
CC(CO)C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730151	1	51	0.0	-71.37	409.01	-0.68	-72.05
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CON=C3)CC2)=C1)C1=CC(=O)[N-]O1	REAL300030730152	1	47	0.0	-72.67	389.68	1.68	-70.99
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C(=O)C3CC3)CC2)=C1)C1=CC(=O)[N-]O1	REAL300030730153	1	50	0.0	-65.58	409.54	2.61	-62.97
N#C[C@H]1C[C@H]1C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730154	1	49	0.0	-76.94	405.98	3.13	-73.81
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=COCC3)CC2)=C1)C1=CC(=O)[N-]O1	REAL300030730155	1	50	0.0	-68.62	399.84	1.65	-66.97
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3(O)CC3)CC2)=C1)C1=CC(=O)[N-]O1	REAL300030730156	1	49	0.0	-67.16	398.71	-0.33	-67.49
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CCC3)CC2)=C1)C1=CC(=O)[N-]O1	REAL300030730157	1	49	0.0	-72.99	394.76	3.17	-69.82
CC(CF)C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730158	1	50	0.0	-71.06	404.44	2.74	-68.32
CC=CC(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730159	1	48	0.0	-67.63	391.47	2.68	-64.95
O=C(C=CCF)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730160	1	48	0.0	-70.36	397.66	2.80	-67.56
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC=NO3)CC2)=C1)C1=CC(=O)[N-]O1	REAL300030730161	1	47	0.0	-68.59	389.91	1.58	-67.01
C[C@H](O)C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730163	1	48	0.0	-73.39	386.74	-0.26	-73.65
CON=CC(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730164	1	48	0.0	-72.11	400.35	0.62	-71.49
C#CC1(C(=O)N2CCN(C3=CC(CNC(=O)C4=CC(=O)[N-]O4)=CC=[NH+]3)CC2)CC1	REAL300030730165	1	50	0.0	-68.16	413.37	3.66	-64.50
C=CC=CCC(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730166	1	52	0.0	-68.70	427.17	4.08	-64.62
C#C[C@H]1C[C@H]1C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730167	1	50	0.0	-70.01	411.89	4.00	-66.01
CC=C(CC)C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730168	1	54	0.0	-71.56	416.17	3.44	-68.12
COC(F)C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730169	1	48	0.0	-76.08	396.33	0.92	-75.16
N#C[C@@H]1C[C@H]1C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730170	1	49	0.0	-73.42	410.02	3.27	-70.15
C=CCC(C)C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730171	1	54	0.0	-71.20	429.12	3.77	-67.43
C[C@@H]1C[C@H]1C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730172	1	51	0.0	-68.64	410.37	3.51	-65.13
CC(C)(O)C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730173	1	51	0.0	-72.77	398.43	0.02	-72.75
CC(C#N)CC(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730174	1	51	0.0	-70.89	416.56	3.14	-67.75
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)[C@H](O)CF)CC2)=C1)C1=CC(=O)[N-]O1	REAL300030730175	1	48	0.0	-71.11	391.91	-0.14	-71.25
C=C(C)CC(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730176	1	51	0.0	-67.94	413.53	3.30	-64.64
CC(C)(C#N)C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730177	1	51	0.0	-76.95	406.59	2.26	-74.69
CC(C)=C(C)C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730178	1	54	0.0	-67.48	429.83	3.85	-63.63
C=CCC(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730179	1	48	0.0	-68.20	391.92	2.65	-65.55
N#CCC(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730181	1	45	0.0	-78.32	378.47	1.79	-76.53
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3CC3F)CC2)=C1)C1=CC(=O)[N-]O1	REAL300030730182	1	48	0.0	-71.33	393.71	2.95	-68.38
O=C(CCF)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730183	1	47	0.0	-68.21	385.60	2.25	-65.96
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3C=CCC3)CC2)=C1)C1=CC(=O)[N-]O1	REAL300030730184	1	52	0.0	-67.54	411.17	3.67	-63.87
C#CC(C)(C)C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730185	1	52	0.0	-71.61	413.01	3.13	-68.48
CO[C@H](C)C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730186	1	51	0.0	-72.56	407.12	1.93	-70.63
C[C@@H](O)C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730187	1	48	0.0	-69.32	385.36	-0.28	-69.60
C=C1CC1C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730188	1	49	0.0	-68.19	402.29	3.41	-64.78
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CNC=N3)CC2)=C1)C1=CC(=O)[N-]O1	REAL300030730189	1	48	0.0	-67.90	393.95	2.49	-65.41
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3CC(=O)C3)CC2)=C1)C1=CC(=O)[N-]O1	REAL300030730190	1	50	0.0	-72.42	407.53	2.41	-70.01
CC(C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1)=C1CC1	REAL300030730191	1	52	0.0	-68.12	425.72	4.14	-63.98
CC1=CC1C(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730192	1	49	0.0	-68.18	404.08	3.54	-64.64
C=CC(=O)N1CCN(C2=CC(CNC(=O)C3=CC(=O)[N-]O3)=CC=[NH+]2)CC1	REAL300030730193	1	45	0.0	-67.94	369.75	1.81	-66.13
O=C(NCC1=CC=[NH+]C(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1)C1=CC=NO1	REAL300030730194	1	47	0.0	-69.89	389.91	1.56	-68.33
CCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730195	0	48	0.0	-77.67	356.94	3.95	-73.72
COCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730196	0	52	0.0	-77.98	390.61	3.02	-74.96
CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730197	0	45	0.0	-77.04	335.14	3.08	-73.96
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CC3)CC2)CC1	REAL300030730198	1	49	0.0	-78.16	366.55	4.52	-73.64
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CCC3)CC2)CC1	REAL300030730199	1	52	0.0	-78.88	382.26	5.00	-73.88
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CCCC3)CC2)CC1	REAL300030730200	1	55	0.0	-79.59	399.44	5.73	-73.86
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CCOCC3)CC2)CC1	REAL300030730201	1	56	0.0	-80.76	408.03	3.90	-76.86
O=C(CC1CC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730202	0	52	0.0	-79.27	387.49	5.33	-73.94
CC(C)(F)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730203	1	51	0.0	-74.49	377.48	4.34	-70.15
COCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730205	1	49	0.0	-81.52	369.66	3.33	-78.19
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=CC=CC=N3)CC2)CC1	REAL300030730206	1	51	0.0	-74.24	386.40	4.90	-69.34
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=CC=NC=C3)CC2)CC1	REAL300030730207	1	51	0.0	-80.89	385.13	3.98	-76.91
CCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730208	0	51	0.0	-77.56	378.43	4.71	-72.85
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=CC=CN=C3)CC2)CC1	REAL300030730209	1	51	0.0	-78.78	384.86	3.84	-74.94
O=C(C1=CC=CO1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730210	1	49	0.0	-76.81	373.02	4.03	-72.78
CC(=O)NCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730211	0	52	0.0	-80.39	395.61	1.57	-78.82
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=CC=CC=C3)CC2)CC1	REAL300030730212	1	52	0.0	-79.37	389.77	5.83	-73.54
CC(C)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730213	0	54	0.0	-77.03	395.16	5.31	-71.72
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CCCCC3)CC2)CC1	REAL300030730214	1	58	0.0	-79.71	415.93	6.23	-73.48
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=CN=CC=N3)CC2)CC1	REAL300030730215	1	50	0.0	-76.12	380.86	2.99	-73.13
CC1=CC=CC=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730216	1	55	0.0	-76.76	410.86	6.42	-70.34
O=C(CC1CCCC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730217	0	58	0.0	-78.78	420.36	6.59	-72.19
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=CC=CS3)CC2)CC1	REAL300030730218	1	49	0.0	-79.07	380.04	4.64	-74.43
CC1CC1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730219	1	52	0.0	-76.47	382.55	5.37	-71.10
CC1=CC=CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030730220	1	55	0.0	-77.86	410.83	6.36	-71.50
CCOCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730221	1	52	0.0	-81.46	391.51	4.29	-77.17
CC(C)=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730222	0	52	0.0	-75.52	384.98	5.08	-70.44
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=COCCO3)CC2)CC1	REAL300030730223	1	52	0.0	-82.13	387.75	3.13	-79.00
CC(=O)NC(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730224	1	55	0.0	-80.46	414.35	2.19	-78.27
CC1=CC=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)O1	REAL300030730225	1	52	0.0	-76.68	394.96	4.89	-71.79
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CCCO3)CC2)CC1	REAL300030730226	1	53	0.0	-83.51	389.51	4.19	-79.32
CSCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730227	1	49	0.0	-81.13	380.00	4.41	-76.72
CC1=CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=NO1	REAL300030730228	1	51	0.0	-74.06	389.39	4.43	-69.63
CSCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730229	0	52	0.0	-77.50	401.67	5.18	-72.32
CC(C)CCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730230	0	57	0.0	-77.82	417.50	6.01	-71.81
O=C(C1=CSC=C1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730231	1	49	0.0	-78.32	380.41	4.66	-73.66
CC1=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C=CO1	REAL300030730232	1	52	0.0	-77.33	390.82	4.60	-72.73
O=C(CC1C=CCC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730233	0	56	0.0	-78.96	412.37	6.32	-72.64
O=C(CN1C=NN=N1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730234	1	50	0.0	-98.06	385.72	3.41	-94.65
CN1C=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C=N1	REAL300030730235	1	52	0.0	-79.14	393.04	3.45	-75.69
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CC=CCC3)CC2)CC1	REAL300030730236	1	56	0.0	-79.14	408.79	6.19	-72.95
CC1=NOC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030730237	1	51	0.0	-77.29	389.41	3.89	-73.40
O=C(C1=CC=CN1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730238	1	50	0.0	-80.38	375.42	4.09	-76.29
CC(=O)CCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730239	1	56	0.0	-86.67	423.14	5.41	-81.26
O=C(C1=COC=C1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730240	1	49	0.0	-80.96	371.50	3.82	-77.14
O=C(CN1C=CC=N1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730241	1	52	0.0	-87.58	397.13	4.27	-83.31
CC1=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)OC=C1	REAL300030730242	1	52	0.0	-76.15	391.12	4.71	-71.44
CCCCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730243	0	57	0.0	-77.72	421.43	6.27	-71.45
CC(C)(C)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730244	0	57	0.0	-80.29	406.79	5.54	-74.75
CC1=CC=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C=N1	REAL300030730245	1	54	0.0	-78.64	406.61	4.46	-74.18
CN1C=CC=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730246	1	53	0.0	-77.32	393.83	5.20	-72.12
CCCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730247	0	54	0.0	-77.72	399.93	5.49	-72.23
CC1=CC=CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=N1	REAL300030730248	1	54	0.0	-76.27	404.42	5.19	-71.08
CC(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730249	1	51	0.0	-77.40	375.49	4.41	-72.99
CCC(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730250	1	54	0.0	-77.47	392.75	5.00	-72.47
CC(C)SCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730251	1	55	0.0	-80.71	419.74	5.93	-74.78
CC(=O)N(C)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730252	0	55	0.0	-81.69	414.52	3.95	-77.74
CCC(CC)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730253	1	57	0.0	-77.20	409.20	5.48	-71.72
CC(C)OCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730254	0	58	0.0	-77.64	432.73	4.73	-72.91
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3COCCO3)CC2)CC1	REAL300030730255	1	54	0.0	-83.26	396.86	2.93	-80.33
O=C(C1=NNC=C1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730256	1	49	0.0	-75.74	371.60	2.84	-72.90
O=C(C1=CC=NN1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730256	1	49	0.0	-81.87	367.59	2.35	-79.52
CSC(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730257	1	52	0.0	-80.77	396.92	4.89	-75.88
CCOC(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730258	1	55	0.0	-81.84	407.40	4.67	-77.17
CCOCCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730259	0	58	0.0	-80.74	433.96	4.75	-75.99
O=C(COCC1CC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730260	1	56	0.0	-81.81	423.19	5.87	-75.94
O=C(CC1CCCO1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730261	0	56	0.0	-81.12	412.66	4.80	-76.32
O=C(C1=CNN=C1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730262	1	49	0.0	-79.38	370.80	2.16	-77.22
COCCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730263	0	55	0.0	-80.82	412.11	3.78	-77.04
CCSCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730264	0	55	0.0	-77.46	423.14	6.07	-71.39
CCOC1CC1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730265	1	56	0.0	-78.85	420.01	5.91	-72.94
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=NSN=C3)CC2)CC1	REAL300030730266	1	47	0.0	-74.68	369.62	2.32	-72.36
COC(=O)NCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730268	0	53	0.0	-81.18	406.44	0.98	-80.20
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=NOC=C3)CC2)CC1	REAL300030730269	1	48	0.0	-74.96	367.51	3.61	-71.35
CCCSCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730270	1	55	0.0	-80.73	422.96	6.10	-74.63
CC(=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030730271	0	56	0.0	-76.59	413.42	6.64	-69.95
CC1=NNC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030730272	1	52	0.0	-80.51	392.11	3.22	-77.29
CC1=CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=NN1	REAL300030730272	1	52	0.0	-75.12	393.47	3.37	-71.75
CCC=C(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730274	0	55	0.0	-76.31	410.76	5.82	-70.49
CC1=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)N=CO1	REAL300030730275	1	51	0.0	-73.48	385.81	2.47	-71.01
CCOC(CC)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730276	1	58	0.0	-81.80	425.37	5.40	-76.40
O=C(CC(F)(F)F)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730277	0	48	0.0	-84.05	374.35	4.37	-79.68
COC(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730278	1	52	0.0	-82.08	384.99	3.78	-78.30
CC(C)OCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730279	1	55	0.0	-81.28	411.79	5.03	-76.25
CCCOCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730280	1	55	0.0	-81.36	413.01	5.09	-76.27
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CCOC3)CC2)CC1	REAL300030730281	1	53	0.0	-80.21	387.18	2.81	-77.40
CN1N=CC=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730282	1	52	0.0	-80.78	388.70	3.54	-77.24
CCC(OC)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730283	1	55	0.0	-81.97	403.50	4.48	-77.49
COCCCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730284	0	58	0.0	-78.78	433.61	4.56	-74.22
CCCC(C)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730285	0	60	0.0	-77.08	434.89	6.73	-70.35
COC(C)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730286	0	55	0.0	-77.89	409.75	4.53	-73.36
C=CCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730287	0	52	0.0	-77.89	391.25	5.27	-72.62
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=COCCC3)CC2)CC1	REAL300030730288	0	54	0.0	-81.01	399.70	3.96	-77.05
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CCCOC3)CC2)CC1	REAL300030730289	1	56	0.0	-80.86	408.34	3.85	-77.01
CCOCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730290	0	55	0.0	-77.81	412.46	3.98	-73.83
O=C(C1=CSC=N1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730291	1	48	0.0	-73.22	375.94	3.63	-69.59
COCC(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730292	1	55	0.0	-77.93	406.87	3.47	-74.46
C=CCOCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730293	1	53	0.0	-81.95	404.42	4.87	-77.08
O=C(C1=COC=N1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730294	1	48	0.0	-74.27	367.61	1.62	-72.65
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)CC1	REAL300030730295	1	53	0.0	-90.57	398.13	1.72	-88.85
CC1=NC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=CN1	REAL300030730296	1	52	0.0	-73.39	393.56	4.02	-69.37
CSCC(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730297	1	55	0.0	-77.39	416.98	5.51	-71.88
C[N@@H+]1CCCC1C(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730298	0	57	0.0	-68.40	411.95	3.21	-65.19
C[N@H+]1CCCC1C(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730298	1	57	0.0	-67.81	406.48	2.66	-65.15
CCC(=O)NCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730299	0	55	0.0	-80.23	415.90	2.39	-77.84
CC(C)(C)C=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730300	0	58	0.0	-78.35	427.34	6.32	-72.03
COCCOCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730301	1	56	0.0	-83.42	425.14	3.54	-79.88
CCCC(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730302	1	57	0.0	-77.50	414.25	5.76	-71.74
O=C(CCC1CC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730303	0	55	0.0	-77.95	410.04	6.26	-71.69
CCCCOCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730304	1	58	0.0	-81.30	434.51	5.87	-75.43
O=C(CC1=NOC=C1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730305	1	51	0.0	-85.48	391.18	4.27	-81.21
O=C(CC1CCOC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730306	0	56	0.0	-79.20	411.39	3.99	-75.21
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CC=CC3)CC2)CC1	REAL300030730307	1	53	0.0	-79.99	388.62	5.40	-74.59
O=C(CC1=NNC=C1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730308	1	52	0.0	-84.12	396.00	3.35	-80.77
O=C(CC1=CC=NN1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730308	1	52	0.0	-85.75	396.84	3.25	-82.50
CC1=CC=NC=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730309	1	54	0.0	-77.90	406.02	4.59	-73.31
CC1=CN=CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030730310	1	54	0.0	-81.96	406.32	4.57	-77.39
O=C(CC1CCC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730311	0	55	0.0	-82.41	401.39	5.73	-76.68
CC1=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)OC=N1	REAL300030730312	1	51	0.0	-79.13	385.97	1.41	-77.72
CC(C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030730313	1	55	0.0	-78.57	403.41	5.69	-72.88
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3C4CCCC43)CC2)CC1	REAL300030730314	1	56	0.0	-77.09	404.92	6.55	-70.54
N#CC1=CNC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030730315	1	51	0.0	-89.53	397.31	4.54	-84.99
O=C(CCC1CCC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730316	0	58	0.0	-77.70	426.66	6.77	-70.93
CC1=CC=CN=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730317	1	54	0.0	-78.26	410.68	4.65	-73.61
CC=C(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730318	0	52	0.0	-76.54	389.78	4.95	-71.59
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CC(F)(F)C3)CC2)CC1	REAL300030730319	1	52	0.0	-81.38	395.90	5.32	-76.06
CC1CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030730320	1	55	0.0	-77.75	402.30	5.73	-72.02
O=C(C=C1CCC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730321	0	53	0.0	-76.43	394.71	5.76	-70.67
CCC(=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)CC	REAL300030730322	0	58	0.0	-74.82	417.77	6.20	-68.62
CC(C)=C(F)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730323	1	52	0.0	-77.62	395.73	5.05	-72.57
O=C(C1=CCCC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730324	0	53	0.0	-78.75	387.71	5.38	-73.37
CN1C=CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030730325	1	53	0.0	-77.38	398.41	5.41	-71.97
CN1C=NC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030730326	1	52	0.0	-73.93	394.32	5.90	-68.03
O=C(CC1=CC=CN=C1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730327	0	54	0.0	-84.00	411.77	5.12	-78.88
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CCCCO3)CC2)CC1	REAL300030730328	1	56	0.0	-83.38	406.82	4.99	-78.39
CCC(SC)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730329	1	55	0.0	-80.15	416.35	5.56	-74.59
CC1(C)CC1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730330	1	55	0.0	-76.35	403.25	5.88	-70.47
CCC(C)OCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730331	1	58	0.0	-81.05	432.55	5.84	-75.21
CC1(C)C[C@@H]1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730332	1	55	0.0	-77.55	403.23	5.89	-71.66
CSC(C)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730333	0	55	0.0	-77.47	417.49	5.75	-71.72
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1	REAL300030730334	1	53	0.0	-84.63	388.88	4.15	-80.48
C#CCCCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730335	0	56	0.0	-78.87	427.21	6.79	-72.08
CCNC(=O)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730336	0	55	0.0	-89.28	414.51	3.81	-85.47
COC(C)CCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730337	0	58	0.0	-77.49	431.65	4.56	-72.93
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=CN=CN=C3)CC2)CC1	REAL300030730338	1	50	0.0	-81.09	379.87	3.70	-77.39
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=CCOCC3)CC2)CC1	REAL300030730339	0	54	0.0	-80.90	404.54	3.85	-77.05
O=C(CC1=COC=C1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730340	1	52	0.0	-81.65	397.68	4.87	-76.78
CC1=NC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=CO1	REAL300030730341	1	51	0.0	-73.49	389.60	2.34	-71.15
C[C@H](NC(N)=O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730342	1	54	0.0	-81.75	406.26	-0.71	-82.46
CC1=CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=CO1	REAL300030730343	1	52	0.0	-80.73	393.47	4.69	-76.04
CCC(C)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730344	0	57	0.0	-77.11	413.39	5.97	-71.14
C#CCCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730345	0	53	0.0	-81.25	405.72	6.01	-75.24
CC(C)(O)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730346	0	55	0.0	-78.93	401.32	3.39	-75.54
COC(C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030730347	1	56	0.0	-82.26	410.81	5.17	-77.09
CN1N=NC=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730348	1	51	0.0	-85.28	380.37	1.94	-83.34
CCCCC(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730349	1	60	0.0	-77.45	435.75	6.54	-70.91
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@H]3C[C@@H]3C(F)F)CC2)CC1	REAL300030730350	1	52	0.0	-81.57	400.74	5.47	-76.10
CC1(C)CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030730351	1	58	0.0	-77.84	422.91	6.24	-71.60
CC(C)[C@@H](O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730352	1	55	0.0	-79.49	397.11	3.01	-76.48
CN1C=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)N=N1	REAL300030730353	1	51	0.0	-77.17	386.78	2.43	-74.74
CN1C=NC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=N1	REAL300030730354	1	51	0.0	-80.48	389.22	5.05	-75.43
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CC3(F)F)CC2)CC1	REAL300030730355	1	49	0.0	-78.13	379.92	4.81	-73.32
CCC(C)=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730356	0	55	0.0	-75.19	407.05	5.98	-69.21
CC1=CN=CC=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730357	1	54	0.0	-79.41	406.06	4.67	-74.74
CC(C)C#CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730358	1	53	0.0	-77.50	406.97	5.96	-71.54
O=C(CC1(O)CCC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730359	0	56	0.0	-80.37	411.35	3.87	-76.50
CC1=CNN=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730360	1	52	0.0	-75.02	390.20	3.50	-71.52
CC(C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)=C1CCC1	REAL300030730361	0	56	0.0	-77.16	420.19	6.37	-70.79
O=C(C#CC1CC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730362	1	51	0.0	-77.60	396.64	6.13	-71.47
CC(C)(C)C#CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730363	1	56	0.0	-77.16	427.11	6.49	-70.67
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1	REAL300030730364	1	51	0.0	-87.61	392.25	4.77	-82.84
NC(=O)NCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730365	0	54	0.0	-90.10	410.67	-0.53	-90.63
CC1CCC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030730366	1	58	0.0	-77.83	416.37	6.12	-71.71
C#CCOCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730367	0	54	0.0	-79.31	418.25	4.53	-74.78
C#CCOC(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730368	1	54	0.0	-87.02	413.29	5.30	-81.72
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3(C(F)F)CC3)CC2)CC1	REAL300030730369	1	52	0.0	-75.34	395.10	5.05	-70.29
C=CCC(C)(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730370	1	58	0.0	-78.38	415.69	5.62	-72.76
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CC34CCC4)CC2)CC1	REAL300030730371	1	56	0.0	-77.91	413.56	6.46	-71.45
CN(C)C(=O)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730372	0	55	0.0	-90.36	410.42	4.90	-85.46
CN1C=CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=N1	REAL300030730373	1	52	0.0	-75.65	394.40	4.16	-71.49
COCCC(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730374	1	58	0.0	-80.57	426.42	4.06	-76.51
O=C(CN1N=CN=N1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730375	1	50	0.0	-89.18	387.26	3.03	-86.15
CCCC[C@@H](C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730376	1	60	0.0	-77.73	434.51	6.39	-71.34
CCC(C)(C)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730377	0	60	0.0	-76.19	424.35	6.31	-69.88
CC(C)C(C)(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730378	1	60	0.0	-78.36	416.44	5.39	-72.97
C=CC(C)(C)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730379	0	58	0.0	-76.42	418.79	6.22	-70.20
O=C(CN1N=CC=N1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730380	1	51	0.0	-87.47	392.55	2.64	-84.83
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)CC2)CC1	REAL300030730381	1	56	0.0	-77.64	417.29	6.68	-70.96
CCC(C)(CC)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730382	1	60	0.0	-82.96	413.91	5.23	-77.73
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3C=CC=CC=C3)CC2)CC1	REAL300030730383	0	55	0.0	-77.59	404.32	6.36	-71.23
C=C(C)CCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730384	0	55	0.0	-77.44	412.89	5.94	-71.50
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@]34C[C@H]3COC4)CC2)CC1	REAL300030730386	1	54	0.0	-80.26	395.55	3.39	-76.87
CC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030730387	1	52	0.0	-77.54	386.37	4.99	-72.55
CNC(=O)NCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730388	0	54	0.0	-81.51	410.46	0.22	-81.29
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1	REAL300030730389	1	53	0.0	-84.36	389.37	4.33	-80.03
CC(CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030730390	0	58	0.0	-77.17	424.99	6.76	-70.41
CC(C)(C(N)=O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730391	1	55	0.0	-74.68	398.71	0.64	-74.04
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3(C4CC4)CC3)CC2)CC1	REAL300030730392	1	56	0.0	-79.06	400.64	6.16	-72.90
COC1CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030730393	1	56	0.0	-80.55	416.11	4.11	-76.44
C=CCCOCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730394	1	56	0.0	-81.47	425.82	5.66	-75.81
C=CCOC(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730395	1	56	0.0	-84.16	420.41	5.34	-78.82
CC1=CN=CC=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730396	1	54	0.0	-79.41	406.06	4.67	-74.74
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CCC3(F)F)CC2)CC1	REAL300030730397	1	52	0.0	-75.71	393.04	5.12	-70.59
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=NSC=C3)CC2)CC1	REAL300030730398	1	48	0.0	-73.08	375.27	3.85	-69.23
CC(C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CCC1	REAL300030730399	1	58	0.0	-79.84	420.68	6.32	-73.52
CC1CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CO1	REAL300030730400	1	56	0.0	-80.30	408.08	3.85	-76.45
NC(=O)CCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730401	0	55	0.0	-89.07	416.12	1.56	-87.51
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3(F)CCCC3)CC2)CC1	REAL300030730402	1	55	0.0	-78.49	400.56	5.62	-72.87
CN1C=NC=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730403	1	52	0.0	-79.57	388.92	4.84	-74.73
CC(C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(C)(C)C	REAL300030730404	1	60	0.0	-76.96	420.92	5.86	-71.10
O=C(CC1=CC=CN=C1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730405	0	54	0.0	-84.00	411.77	5.12	-78.88
O=C(C1=NNN=C1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730406	1	48	0.0	-76.47	366.39	1.42	-75.05
CC1=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)NC=N1	REAL300030730407	1	52	0.0	-81.42	396.01	3.92	-77.50
COCC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030730408	1	56	0.0	-80.43	420.10	4.06	-76.37
COCC(C)(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730409	1	58	0.0	-79.19	418.16	3.72	-75.47
CN1N=CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=N1	REAL300030730410	1	51	0.0	-77.37	389.37	2.51	-74.86
O=C(CCC(F)F)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730411	0	51	0.0	-80.76	391.10	4.98	-75.78
CC1(CC(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030730412	0	55	0.0	-78.48	407.52	5.83	-72.65
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3(CCF)CC3)CC2)CC1	REAL300030730413	1	55	0.0	-78.44	412.96	5.88	-72.56
CCC(C(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030730414	0	59	0.0	-66.97	419.34	3.38	-63.59
O=C(C1=CSN=N1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730415	1	47	0.0	-73.77	370.61	2.69	-71.08
CC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCCC1	REAL300030730416	1	58	0.0	-79.48	409.50	5.74	-73.74
O=C(C1=CN=CO1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730417	1	48	0.0	-79.60	367.75	0.76	-78.84
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)CC1	REAL300030730418	1	53	0.0	-90.44	394.56	1.46	-88.98
CCC[N@H+](C)CC(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730419	0	59	0.0	-68.88	427.05	3.67	-65.21
CCC[N@@H+](C)CC(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730419	1	59	0.0	-68.96	427.01	3.66	-65.30
CC1=NNC=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730420	1	52	0.0	-82.76	391.73	2.80	-79.96
CC1=NNN=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730421	1	51	0.0	-75.96	385.08	2.01	-73.95
CCCC(OC)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730422	1	58	0.0	-82.10	424.94	5.23	-76.87
C=C(C)C(C)(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730423	1	58	0.0	-76.09	414.30	5.46	-70.63
CC(CC(N)=O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730424	1	55	0.0	-78.66	407.83	1.12	-77.54
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CCNC3=O)CC2)CC1	REAL300030730425	1	53	0.0	-74.40	390.50	1.24	-73.16
C=CC(C)(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730426	1	55	0.0	-75.88	396.05	4.97	-70.91
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730427	0	57	0.0	-74.04	408.45	2.83	-71.21
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730427	1	57	0.0	-64.78	408.75	2.89	-61.89
C[C@@H]1C[C@H]1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730428	1	52	0.0	-78.36	388.27	5.35	-73.01
CC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCC1	REAL300030730429	1	55	0.0	-79.94	397.04	5.32	-74.62
CC1COC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030730430	1	56	0.0	-84.13	409.88	4.82	-79.31
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@]34C[C@H]3CCC4)CC2)CC1	REAL300030730431	1	56	0.0	-78.00	404.48	5.92	-72.08
CC1=NC=CC=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730432	1	54	0.0	-79.95	405.92	4.62	-75.33
CC[NH+](CC)CC(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730433	0	59	0.0	-67.00	419.11	3.32	-63.68
CCC(F)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730434	1	51	0.0	-80.59	383.28	4.69	-75.90
O=C(CCCF)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730435	0	51	0.0	-81.51	385.03	4.85	-76.66
CC1=COC=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730436	1	52	0.0	-80.22	393.73	4.57	-75.65
C[C@H]1C[C@@H]1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730437	1	52	0.0	-77.49	384.68	5.07	-72.42
CC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C=CCC1	REAL300030730438	1	56	0.0	-78.33	402.96	5.69	-72.64
CN1N=NC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=N1	REAL300030730439	1	50	0.0	-78.49	384.20	2.02	-76.47
CC(C)C(F)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730440	1	54	0.0	-78.04	397.97	5.23	-72.81
C=CC(C)C(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730441	1	58	0.0	-77.22	425.15	6.17	-71.05
CCC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCC1	REAL300030730442	1	58	0.0	-79.22	414.56	5.79	-73.43
CC#CCCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730443	0	56	0.0	-81.89	427.54	6.97	-74.92
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)CC1	REAL300030730444	1	54	0.0	-81.62	402.64	4.02	-77.60
O=C(CCCC1CC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730445	0	58	0.0	-78.15	431.54	7.06	-71.09
CC1(C)CCC1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730446	1	58	0.0	-77.67	417.88	6.08	-71.59
CC1=COC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030730447	1	52	0.0	-76.65	394.84	4.71	-71.94
C=CC(CC)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730448	0	58	0.0	-77.44	428.48	6.53	-70.91
CC(C)(C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030730449	1	58	0.0	-79.01	410.40	5.71	-73.30
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)CC2)CC1	REAL300030730450	1	56	0.0	-79.97	407.46	6.37	-73.60
O=C(CC1=CON=C1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730451	1	51	0.0	-85.76	391.92	4.31	-81.45
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3(F)CCOC3)CC2)CC1	REAL300030730452	1	53	0.0	-79.82	391.23	2.91	-76.91
CC(C)(C)CCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730453	0	60	0.0	-78.08	433.67	6.41	-71.67
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=CC=NC=N3)CC2)CC1	REAL300030730454	1	50	0.0	-75.19	381.41	4.73	-70.46
CC1=CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=CC=N1	REAL300030730455	1	54	0.0	-80.76	406.05	4.54	-76.22
O=C(CC1=CC=CO1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730456	1	52	0.0	-83.09	397.69	5.04	-78.05
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=NC=CC=N3)CC2)CC1	REAL300030730457	1	50	0.0	-79.72	381.97	4.02	-75.70
CCC(C)CCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730458	0	60	0.0	-77.82	435.73	6.65	-71.17
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=CC=CN=N3)CC2)CC1	REAL300030730459	1	50	0.0	-74.25	381.05	3.40	-70.85
CC1OCCC1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730460	1	56	0.0	-82.69	402.85	3.89	-78.80
CC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCOC1	REAL300030730461	1	56	0.0	-80.20	400.73	3.18	-77.02
CCC(CC)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730462	0	60	0.0	-77.23	431.54	6.53	-70.70
CCC(C)C(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730463	1	60	0.0	-77.16	429.86	6.27	-70.89
CCCC(CC)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730464	1	60	0.0	-77.56	429.82	6.25	-71.31
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CCC(F)C3)CC2)CC1	REAL300030730465	1	55	0.0	-79.13	402.89	5.59	-73.54
CC1=NC=CC=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730466	1	54	0.0	-79.95	405.92	4.62	-75.33
C=CCCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730467	0	55	0.0	-78.42	412.74	6.06	-72.36
CCC(C)(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730468	1	57	0.0	-78.35	400.84	5.01	-73.34
CCCC(C)(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730469	1	60	0.0	-78.36	422.34	5.78	-72.58
NC(=O)C1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030730470	1	53	0.0	-75.04	402.90	1.03	-74.01
NC(=O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730471	1	46	0.0	-73.78	349.09	-1.03	-74.81
CC1=NOC=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730472	1	51	0.0	-83.61	387.25	3.94	-79.67
CCC1(C)CC1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730473	1	58	0.0	-76.00	420.59	6.54	-69.46
COCC(C)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730474	0	58	0.0	-80.20	428.10	4.42	-75.78
CC1(CCC(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030730475	0	58	0.0	-78.33	426.39	6.63	-71.70
CC1=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)ON=C1	REAL300030730476	1	51	0.0	-76.61	386.20	4.00	-72.61
CC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC=CC1	REAL300030730477	1	56	0.0	-80.61	402.51	5.64	-74.97
COC(C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(C)C	REAL300030730478	1	58	0.0	-81.75	421.08	5.05	-76.70
CC1CC1CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730479	0	55	0.0	-78.18	409.25	6.16	-72.02
C=CC(C)(CC)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730480	1	58	0.0	-78.21	404.64	5.91	-72.30
O=C(C[C@H]1CCOC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730481	0	56	0.0	-80.35	408.14	3.81	-76.54
CCC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030730482	1	55	0.0	-78.51	406.25	5.53	-72.98
CC(F)(F)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730483	0	51	0.0	-84.30	388.84	4.91	-79.39
CCCC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030730484	1	58	0.0	-79.27	424.16	6.50	-72.77
COCC(OC)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730485	1	56	0.0	-82.35	415.60	3.19	-79.16
CCC[C@@H]1C[C@H]1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730486	1	58	0.0	-78.10	430.82	6.75	-71.35
CC(C)C1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030730487	1	58	0.0	-77.58	416.30	5.96	-71.62
C=C1CC(C)(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030730488	1	56	0.0	-79.59	409.94	5.72	-73.87
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3(CF)CC3)CC2)CC1	REAL300030730489	1	52	0.0	-79.68	390.98	5.09	-74.59
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CC4(CC4)C3)CC2)CC1	REAL300030730490	1	56	0.0	-79.35	414.62	6.39	-72.96
CC(C)(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730491	1	54	0.0	-79.36	386.18	4.55	-74.81
CC1=CC=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C=C1	REAL300030730492	1	55	0.0	-79.27	411.16	6.51	-72.76
CCCCCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730493	0	60	0.0	-77.69	442.93	7.05	-70.64
CC[N@H+](C)CCC(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730494	1	59	0.0	-70.46	427.68	3.50	-66.96
CC[N@@H+](C)CCC(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730494	1	59	0.0	-70.56	427.88	3.51	-67.05
CC1=CON=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730495	1	51	0.0	-74.28	386.49	4.30	-69.98
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730496	1	53	0.0	-84.27	400.45	2.64	-81.63
CC[C@@H](C(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030730497	0	59	0.0	-66.82	417.80	3.19	-63.63
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3(CF)CCC3)CC2)CC1	REAL300030730498	1	55	0.0	-83.01	402.82	5.33	-77.68
O=C(CN1C=NC=N1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730499	1	51	0.0	-92.78	391.93	5.71	-87.07
O=C(CC1=NN=CN1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730500	1	51	0.0	-93.05	390.18	4.32	-88.73
CC(C)C(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730501	1	57	0.0	-77.17	411.68	5.62	-71.55
CC[C@@H]1C[C@H]1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730502	1	55	0.0	-76.86	409.46	6.00	-70.86
CC(C)CCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730503	0	60	0.0	-77.54	439.00	6.78	-70.76
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CC34CC4)CC2)CC1	REAL300030730504	1	53	0.0	-79.05	399.08	6.12	-72.93
O=C(CC1=CN=CN1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730505	0	52	0.0	-86.18	396.32	4.40	-81.78
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@@H]3CC(=O)N3)CC2)CC1	REAL300030730506	1	50	0.0	-92.93	380.42	0.17	-92.76
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=CCCCC3)CC2)CC1	REAL300030730507	0	56	0.0	-76.76	412.66	6.16	-70.60
CC(=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(C)C	REAL300030730508	0	58	0.0	-75.10	423.88	6.46	-68.64
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@H]3CC(=O)N3)CC2)CC1	REAL300030730509	1	50	0.0	-90.70	381.21	0.53	-90.17
O=C(CN1C=NC=N1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730510	1	51	0.0	-92.78	391.93	5.71	-87.07
COC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030730511	1	53	0.0	-74.97	399.54	3.70	-71.27
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CSC3)CC2)CC1	REAL300030730512	1	50	0.0	-81.68	381.83	4.78	-76.90
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3(O)CCCC3)CC2)CC1	REAL300030730513	1	56	0.0	-82.98	401.72	2.71	-80.27
C=CCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730514	0	49	0.0	-78.45	369.85	4.49	-73.96
C[NH+](C)CC(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730515	0	53	0.0	-69.47	387.79	2.25	-67.22
C=CC(O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730516	1	50	0.0	-79.62	375.25	2.13	-77.49
[N-]=[N+]=NCCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730517	0	53	0.0	-82.05	408.57	1.37	-80.68
CC1(C)COC1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730518	1	56	0.0	-84.15	408.18	4.29	-79.86
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@H]3CC3(F)F)CC2)CC1	REAL300030730520	1	49	0.0	-84.05	377.75	4.72	-79.33
O=C(CC1=CNN=C1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730521	0	52	0.0	-84.79	396.79	3.41	-81.38
CC(C)NC(=O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730522	1	55	0.0	-72.82	413.14	2.12	-70.70
C=C(Cl)CCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730523	0	52	0.0	-77.29	408.27	5.80	-71.49
CC1=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCO1	REAL300030730524	0	54	0.0	-76.65	392.14	3.91	-72.74
O=C(C=C1CCCC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730525	0	56	0.0	-76.76	410.98	6.40	-70.36
C[N@H+](CC(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030730526	0	57	0.0	-65.77	416.86	3.64	-62.13
C[N@@H+](CC(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030730526	1	57	0.0	-66.57	417.22	3.65	-62.92
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3(CO)COC3)CC2)CC1	REAL300030730527	1	54	0.0	-86.45	397.94	-0.87	-87.32
CC(C)=CCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730528	0	58	0.0	-77.31	430.70	6.72	-70.59
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3COC3)CC2)CC1	REAL300030730529	1	50	0.0	-80.43	373.57	2.39	-78.04
CC1CCC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)O1	REAL300030730530	1	56	0.0	-83.16	410.38	5.12	-78.04
O=C(CC1(CO)CC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730531	0	56	0.0	-78.40	417.25	2.57	-75.83
C[NH+]1CC(CC(=O)N2CCN(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030730532	1	57	0.0	-70.89	419.08	3.13	-67.76
CC1(O)CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030730533	1	56	0.0	-82.02	413.47	2.30	-79.72
CO[C@H](C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730534	1	52	0.0	-83.27	384.60	3.62	-79.65
CC1=NC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=NN1	REAL300030730535	1	51	0.0	-81.18	388.46	3.34	-77.84
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@@H]3C[C@@H]3C(F)F)CC2)CC1	REAL300030730536	1	52	0.0	-84.81	390.28	5.40	-79.41
O=C(C1=COC(=O)N1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730537	1	49	0.0	-89.88	377.06	0.94	-88.94
CC=CC(O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730538	1	53	0.0	-78.21	396.95	2.92	-75.29
CCCC[C@H](C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730539	1	60	0.0	-78.65	434.50	6.38	-72.27
C[C@@H](C(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030730540	0	56	0.0	-66.60	401.65	2.45	-64.15
CCC=C(F)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730541	1	52	0.0	-73.15	393.16	5.30	-67.85
CCC=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730542	0	52	0.0	-78.31	390.51	5.27	-73.04
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CCC(=O)N3)CC2)CC1	REAL300030730544	1	53	0.0	-92.02	397.73	1.57	-90.45
CC(C)(CO)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730545	1	55	0.0	-79.33	395.91	1.33	-78.00
CN1C=CN=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730546	1	52	0.0	-73.29	390.24	5.09	-68.20
O=C(CC(O)C1CC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730547	0	56	0.0	-81.01	416.32	4.04	-76.97
CC(C)CC(F)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730548	1	57	0.0	-80.86	420.23	5.94	-74.92
CC(=CC1CC1)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730549	0	56	0.0	-76.97	412.48	6.36	-70.61
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CCC=CO3)CC2)CC1	REAL300030730550	1	54	0.0	-81.78	398.45	5.23	-76.55
O=C(CC1CSC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730551	0	53	0.0	-83.82	404.62	5.63	-78.19
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3(F)CCC3)CC2)CC1	REAL300030730552	1	52	0.0	-77.51	386.96	5.15	-72.36
O=C(CO)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730553	1	46	0.0	-82.84	347.41	1.05	-81.79
NC(=O)C=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730554	0	50	0.0	-80.48	385.81	0.54	-79.94
C#CCSCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730555	1	51	0.0	-83.82	407.24	5.82	-78.00
CC(O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730556	1	49	0.0	-79.58	363.28	1.56	-78.02
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3(O)CCC3)CC2)CC1	REAL300030730557	1	53	0.0	-81.43	387.74	2.10	-79.33
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C(O)C3CC3)CC2)CC1	REAL300030730558	1	53	0.0	-80.80	390.55	3.15	-77.65
O=C(CN1C=NN=C1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730559	1	51	0.0	-94.72	392.43	6.66	-88.06
C=CCC(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730560	1	55	0.0	-77.84	406.96	5.60	-72.24
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CC3F)CC2)CC1	REAL300030730561	1	49	0.0	-81.67	371.62	4.77	-76.90
C[C@@H](C(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030730562	0	56	0.0	-66.60	401.65	2.45	-64.15
O=C(CCF)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730563	0	48	0.0	-78.40	363.53	4.10	-74.30
O=C(CN1C=CN=N1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730564	1	51	0.0	-95.97	391.01	2.99	-92.98
C=CC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCC1	REAL300030730565	1	56	0.0	-77.20	403.66	6.12	-71.08
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3(O)COC3)CC2)CC1	REAL300030730566	1	51	0.0	-77.57	382.07	-0.15	-77.72
CCC(C)C(O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730567	1	58	0.0	-78.28	417.57	3.74	-74.54
CC(C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)=C1CC1	REAL300030730568	0	53	0.0	-77.55	403.58	5.86	-71.69
CCC1CC1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730569	1	55	0.0	-76.01	404.24	6.11	-69.90
CC(O)CCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730570	0	58	0.0	-80.75	431.74	2.98	-77.77
O=C(CC1(O)CC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730571	0	53	0.0	-83.93	398.33	1.82	-82.11
O=C(C=CCF)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730572	0	49	0.0	-81.65	375.60	4.63	-77.02
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C(F)CC3CC3)CC2)CC1	REAL300030730573	1	55	0.0	-79.08	414.84	6.23	-72.85
CCC(CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)OC	REAL300030730574	0	58	0.0	-77.23	425.83	4.93	-72.30
O=C(C1=C(Cl)CC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730575	0	50	0.0	-83.53	390.37	5.57	-77.96
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@]34C[C@H]3[C@H](F)C4)CC2)CC1	REAL300030730576	1	53	0.0	-81.47	396.94	5.60	-75.87
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=CCCOC3)CC2)CC1	REAL300030730577	0	54	0.0	-81.12	400.42	3.50	-77.62
CC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1(F)F	REAL300030730578	1	52	0.0	-84.91	396.05	5.14	-79.77
CC(C)(C)C(O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730579	1	58	0.0	-78.75	409.65	3.44	-75.31
C#CCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730580	0	50	0.0	-78.05	384.22	5.23	-72.82
O=C(CN1CCC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730581	0	54	0.0	-80.36	397.91	1.67	-78.69
CC(C)C(O)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730582	0	58	0.0	-81.05	423.17	3.81	-77.24
CC1=CC=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)N=C1	REAL300030730583	1	54	0.0	-73.69	407.84	5.53	-68.16
CCCC(C)(O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730584	1	58	0.0	-75.60	416.98	2.51	-73.09
CCOC(C)(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730585	1	58	0.0	-75.11	419.23	4.48	-70.63
C#C[C@H]1C[C@H]1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730586	1	51	0.0	-81.59	386.26	5.46	-76.13
[N-]=[N+]=NC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030730587	1	51	0.0	-75.83	388.43	1.30	-74.53
O=C(C1=CNC(=O)O1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730588	1	49	0.0	-79.43	377.61	1.16	-78.27
CC(C)[C@@H]1C[C@H]1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730589	1	58	0.0	-77.31	425.46	6.39	-70.92
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3C4CCC43)CC2)CC1	REAL300030730590	1	53	0.0	-76.89	389.63	5.98	-70.91
C=C1CCC1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730591	1	53	0.0	-78.78	389.96	5.42	-73.36
C[C@H]1C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)[C@H]1C	REAL300030730592	1	55	0.0	-77.41	404.36	5.89	-71.52
C[C@H](C(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030730593	0	56	0.0	-67.06	403.34	2.42	-64.64
CC=CC=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730594	0	53	0.0	-76.85	400.98	5.56	-71.29
CN1N=CN=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730595	1	51	0.0	-75.31	385.01	5.09	-70.22
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@@H]3CC[C@@H](O)C3)CC2)CC1	REAL300030730596	1	56	0.0	-81.82	409.87	2.27	-79.55
CS(=O)C=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730597	1	51	0.0	-85.83	401.61	2.25	-83.58
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@@H]3CC=CCC3)CC2)CC1	REAL300030730598	1	56	0.0	-78.62	409.71	6.12	-72.50
COCC=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730599	0	53	0.0	-81.03	402.77	3.55	-77.48
CS(=O)CCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730600	1	53	0.0	-87.85	411.19	2.54	-85.31
CC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)COC1	REAL300030730602	1	53	0.0	-80.17	388.63	2.66	-77.51
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=CCCCO3)CC2)CC1	REAL300030730603	1	54	0.0	-74.75	398.21	4.54	-70.21
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=CCCS3)CC2)CC1	REAL300030730604	1	51	0.0	-75.18	391.80	5.06	-70.12
CC1=NOC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030730605	1	53	0.0	-90.76	398.58	4.29	-86.47
O=C(NC1CC1)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730606	1	53	0.0	-73.43	402.92	2.25	-71.18
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CCSC3)CC2)CC1	REAL300030730607	1	53	0.0	-81.86	396.43	5.32	-76.54
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CCO3)CC2)CC1	REAL300030730608	1	50	0.0	-89.53	369.30	3.17	-86.36
[N-]=[N+]=NCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730609	0	50	0.0	-79.16	387.07	0.56	-78.60
C#CCOCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730610	1	51	0.0	-84.74	397.30	4.83	-79.91
O=C(CC1=NN=CO1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730611	1	50	0.0	-90.37	387.04	-0.91	-91.28
CN(CCO)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730612	0	57	0.0	-79.79	419.57	-0.29	-80.08
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CCCS3)CC2)CC1	REAL300030730613	1	53	0.0	-77.29	400.25	5.56	-71.73
CC(C)(O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730614	1	52	0.0	-76.37	381.92	1.40	-74.97
O=C(CC1=CC=CC=N1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730615	1	54	0.0	-83.02	410.39	5.29	-77.73
CC1=CC1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730616	0	50	0.0	-78.41	381.38	5.23	-73.18
CN(C)C(=O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730617	1	52	0.0	-80.07	394.76	2.49	-77.58
CSC=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730618	0	50	0.0	-75.87	391.51	4.84	-71.03
CCC(C)(O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730619	1	55	0.0	-76.42	398.56	2.07	-74.35
CC[N@H+](C)CC(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730620	0	56	0.0	-68.61	405.57	2.93	-65.68
CC[N@@H+](C)CC(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730620	1	56	0.0	-68.55	405.51	2.92	-65.63
CC(C)(F)CCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730621	0	57	0.0	-77.27	422.47	6.04	-71.23
CCC=CC=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730622	0	56	0.0	-76.78	422.07	6.32	-70.46
CC1=CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=CN1	REAL300030730624	1	53	0.0	-81.06	397.27	4.17	-76.89
COCC(C)(O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730625	1	56	0.0	-77.47	414.05	0.77	-76.70
CC1=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCC1	REAL300030730626	0	56	0.0	-77.14	404.48	6.02	-71.12
C=C1CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030730627	1	53	0.0	-78.32	396.12	5.67	-72.65
CC(O)(C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030730628	1	56	0.0	-75.85	406.74	2.58	-73.27
CC1=NC=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)O1	REAL300030730629	1	51	0.0	-78.71	389.72	1.51	-77.20
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CCC3F)CC2)CC1	REAL300030730630	1	52	0.0	-81.24	387.92	5.05	-76.19
O=C(C1=CNC=N1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730631	1	49	0.0	-74.37	371.64	4.22	-70.15
CC1=NOC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=N1	REAL300030730632	1	50	0.0	-82.09	384.43	1.36	-80.73
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CC4CC4C3)CC2)CC1	REAL300030730633	1	56	0.0	-78.42	405.79	6.16	-72.26
O=C(C1=CCSC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730634	0	51	0.0	-78.46	396.46	5.35	-73.11
CCCC(O)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730635	0	58	0.0	-81.03	430.60	3.85	-77.18
O=C(C1=CCCO1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730637	1	51	0.0	-73.99	381.41	3.74	-70.25
CC(=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(F)F	REAL300030730638	0	52	0.0	-81.59	398.19	5.47	-76.12
C[NH+](C)CC=CC(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730639	1	57	0.0	-80.30	422.09	3.31	-76.99
CCC[C@H](O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730640	1	55	0.0	-80.81	405.79	3.03	-77.78
CCC(C)(OC)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730641	1	58	0.0	-76.36	414.53	4.10	-72.26
CC(C)[C@H](O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730642	1	55	0.0	-78.77	399.61	2.94	-75.83
CC(C)C(CO)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730643	1	58	0.0	-81.06	419.32	2.30	-78.76
CCOC=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730644	0	53	0.0	-76.07	402.46	4.15	-71.92
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CCCC3O)CC2)CC1	REAL300030730646	1	56	0.0	-78.67	408.84	2.56	-76.11
C[C@@H](O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730647	1	49	0.0	-84.13	363.23	1.38	-82.75
NC(=O)C(O)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730648	0	53	0.0	-87.04	404.01	-0.62	-87.66
CCC(C)=C(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730649	0	58	0.0	-76.37	428.58	6.54	-69.83
COC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCC1	REAL300030730650	1	56	0.0	-75.51	410.34	4.12	-71.39
CC(C)(O)CCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730651	0	58	0.0	-77.79	426.81	2.72	-75.07
O=C(C1=CSN=C1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730652	1	48	0.0	-81.61	374.48	3.43	-78.18
CC1CC(C)(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030730653	1	58	0.0	-79.09	416.59	5.82	-73.27
CNC(=O)CCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730654	0	55	0.0	-78.98	416.55	2.26	-76.72
O=C(CCCCF)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730655	0	54	0.0	-78.90	406.52	5.63	-73.27
O=C(C=CCO)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730656	0	50	0.0	-82.24	380.52	1.15	-81.09
O=C(CC1=CN=CO1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730657	1	51	0.0	-87.61	392.37	1.75	-85.86
COC(C)(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730658	1	55	0.0	-75.28	397.38	3.51	-71.77
C[NH+](C)C(C)(C)C(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730659	0	59	0.0	-67.65	408.43	2.61	-65.04
O=C(CCCCO)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730661	0	55	0.0	-79.23	411.35	2.15	-77.08
CC1=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C=NO1	REAL300030730662	1	51	0.0	-79.23	386.02	4.02	-75.21
CC1=CC=NC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030730663	1	54	0.0	-74.40	404.55	5.30	-69.10
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CNC(=O)C3)CC2)CC1	REAL300030730664	1	53	0.0	-90.00	393.89	1.31	-88.69
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)CC1	REAL300030730665	1	52	0.0	-94.52	388.84	-1.00	-95.52
CC1=CC=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)N1	REAL300030730667	1	53	0.0	-80.36	398.13	4.63	-75.73
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3(CO)CC3)CC2)CC1	REAL300030730668	1	53	0.0	-81.76	397.97	1.60	-80.16
COC1(CC(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030730669	0	56	0.0	-82.67	416.08	4.06	-78.61
O=C(CC1CC1(F)F)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730670	0	52	0.0	-79.66	400.89	5.66	-74.00
CC[C@H](C)[C@H](O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730671	1	58	0.0	-80.04	413.60	3.29	-76.75
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@]34C[C@H]3[C@H](O)C4)CC2)CC1	REAL300030730672	1	54	0.0	-82.34	401.79	2.11	-80.23
O=C(CCCCCF)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730673	0	57	0.0	-80.42	428.02	6.41	-74.01
COC(F)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730674	1	49	0.0	-84.60	373.97	2.70	-81.90
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C34CC3CC4)CC2)CC1	REAL300030730675	1	53	0.0	-79.36	390.91	5.50	-73.86
CCCC(C)=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730676	0	58	0.0	-75.11	428.55	6.76	-68.35
C=C[C@H](C)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730677	0	55	0.0	-78.49	407.95	5.82	-72.67
O=C(C=CC1CC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730678	0	53	0.0	-76.49	401.07	5.96	-70.53
CC=C(CC)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730679	0	55	0.0	-76.45	410.47	5.78	-70.67
O=C(CC12CC(C1)C2)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730680	0	56	0.0	-79.60	410.67	6.64	-72.96
C#CCC(CC#C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730681	1	55	0.0	-79.65	421.90	6.52	-73.13
CCC(C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(C)O	REAL300030730682	1	58	0.0	-77.19	413.57	2.82	-74.37
C=CC(C)(O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730683	1	53	0.0	-76.15	392.29	2.17	-73.98
CCC(C)(CO)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730684	1	58	0.0	-79.24	411.87	1.81	-77.43
C[NH+](C)C1(C(=O)N2CCN(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030730685	0	57	0.0	-77.48	408.41	2.89	-74.59
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C34CC(C3)CO4)CC2)CC1	REAL300030730686	1	54	0.0	-76.16	398.42	3.98	-72.18
C[C@@H](C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(C)(C)O	REAL300030730687	1	58	0.0	-80.29	412.31	2.81	-77.48
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C34CC(C3)OC4)CC2)CC1	REAL300030730688	1	54	0.0	-80.46	394.44	3.30	-77.16
CC(O)C1CC1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730689	1	56	0.0	-77.36	417.13	3.03	-74.33
C[C@@H]1C[C@@]2(C(=O)N3CC[NH+](C4CCN(C(=O)C5=CC(=O)[N-]O5)CC4)CC3)C[C@@H]12	REAL300030730690	1	56	0.0	-79.10	414.68	6.40	-72.70
O=C(CN1C=NC=N1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730691	1	51	0.0	-92.78	391.93	5.71	-87.07
CC1(C#CC(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030730692	1	54	0.0	-77.18	417.59	6.63	-70.55
O=C(C1=CCC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730693	0	50	0.0	-77.77	372.71	4.99	-72.78
O=C(C1=CC=C(F)O1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730694	1	49	0.0	-75.06	379.47	4.17	-70.89
CON=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730695	1	49	0.0	-83.01	378.38	2.46	-80.55
C#CCC(C)(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730696	1	56	0.0	-79.05	410.03	5.59	-73.46
CN(CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(N)=O	REAL300030730697	0	54	0.0	-82.75	406.99	1.39	-81.36
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3(F)CC3)CC2)CC1	REAL300030730699	1	49	0.0	-77.62	372.97	4.55	-73.07
O=C(COCCO)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730701	1	53	0.0	-83.89	402.89	1.16	-82.73
CC(C)(CF)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730702	1	54	0.0	-79.38	391.56	4.62	-74.76
CC(C)[C@@H](O)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730703	0	58	0.0	-81.22	425.77	3.58	-77.64
CSC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030730704	1	53	0.0	-74.64	410.38	5.61	-69.03
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=NOCC3)CC2)CC1	REAL300030730705	1	50	0.0	-75.56	377.57	2.92	-72.64
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3(CCO)CC3)CC2)CC1	REAL300030730706	1	56	0.0	-78.12	417.79	2.40	-75.72
CC(C)C(C)(O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730707	1	58	0.0	-75.90	412.55	2.85	-73.05
CC(C[NH+](C)C)C(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730708	0	59	0.0	-70.48	425.74	3.38	-67.10
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C(F)C3CCC3)CC2)CC1	REAL300030730710	1	55	0.0	-78.21	406.08	5.88	-72.33
CC1(C)CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)O1	REAL300030730711	1	56	0.0	-84.99	415.08	4.62	-80.37
C#CC1=CC=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)O1	REAL300030730712	1	51	0.0	-77.64	397.83	5.23	-72.41
CC1CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=NO1	REAL300030730713	1	53	0.0	-75.33	398.72	3.68	-71.65
CC1(F)CC(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030730714	1	55	0.0	-78.62	409.99	5.82	-72.80
COCC(O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730715	1	53	0.0	-80.94	396.86	0.82	-80.12
C#CC(C)(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730716	1	53	0.0	-76.19	394.62	5.03	-71.16
COC(C)C(O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730717	1	56	0.0	-83.34	414.72	1.73	-81.61
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)CC1	REAL300030730718	1	52	0.0	-94.38	388.45	-1.11	-95.49
CCSC(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730719	1	55	0.0	-81.46	416.71	5.70	-75.76
O=C(COC1CC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730721	1	53	0.0	-82.62	401.88	5.06	-77.56
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3=NC=CN3)CC2)CC1	REAL300030730722	1	49	0.0	-73.71	371.84	3.36	-70.35
O=C(C=CC1CCC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730723	0	56	0.0	-81.22	414.20	6.23	-74.99
CCCC=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730724	0	55	0.0	-78.28	412.01	6.05	-72.23
CC=C(F)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730725	1	49	0.0	-73.19	372.85	4.57	-68.62
CCC(C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(C)C	REAL300030730726	1	60	0.0	-77.42	421.24	6.18	-71.24
CSC(C)(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730727	1	55	0.0	-75.60	405.63	4.93	-70.67
O=C(C(F)=C1CCC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730728	1	53	0.0	-72.45	398.42	5.76	-66.69
CCC(CO)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730729	1	55	0.0	-77.48	404.56	1.73	-75.75
CC(C)(O)C(F)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730730	1	55	0.0	-81.33	410.18	3.13	-78.20
CC(CO)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730731	1	52	0.0	-78.19	384.62	1.07	-77.12
O=C(C1=CON=C1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730732	1	48	0.0	-84.08	365.97	3.34	-80.74
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@@H]3C[C@H]3CF)CC2)CC1	REAL300030730733	1	52	0.0	-83.25	391.31	5.22	-78.03
C#CC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030730734	1	51	0.0	-77.16	391.73	5.36	-71.80
O=C(C1=COCC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730735	0	51	0.0	-80.09	377.51	3.39	-76.70
C[C@H](O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730736	1	49	0.0	-79.24	363.33	1.44	-77.80
O=C(C1=CC(F)=NN1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730737	1	49	0.0	-83.03	377.27	2.46	-80.57
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3C=CCC3)CC2)CC1	REAL300030730738	1	53	0.0	-79.05	388.43	5.38	-73.67
CC(O)C(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730739	1	55	0.0	-77.54	404.00	2.12	-75.42
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3(O)CCOC3)CC2)CC1	REAL300030730740	1	54	0.0	-83.45	392.50	0.07	-83.38
C=C1CC1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730741	1	50	0.0	-77.98	380.20	5.24	-72.74
O=C(CC1CC=CC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730742	0	56	0.0	-78.33	412.70	6.45	-71.88
NC(=[NH2+])SCC(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730743	0	51	0.0	-70.48	395.72	-0.71	-71.19
O=C(CCC[N+](=O)[O-])N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730744	0	53	0.0	-87.21	407.53	5.12	-82.09
CC(CF)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730745	1	51	0.0	-78.41	379.59	4.45	-73.96
CC1(C)C=C(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030730746	0	56	0.0	-77.58	414.50	6.13	-71.45
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@@H]3CC3(F)F)CC2)CC1	REAL300030730747	1	49	0.0	-85.07	378.44	4.88	-80.19
CC(=O)NCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730748	0	55	0.0	-89.32	417.44	2.27	-87.05
O=C(C1=CNC(=O)N1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730749	1	50	0.0	-91.21	380.94	0.38	-90.83
CC1CCCC1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730750	1	58	0.0	-78.15	413.96	6.40	-71.75
C=C(C)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730751	0	52	0.0	-78.19	391.46	5.14	-73.05
CCSCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730752	1	52	0.0	-80.86	401.46	5.30	-75.56
CC(C)=C(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730753	0	55	0.0	-76.43	406.58	5.80	-70.63
CCCC(O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730754	1	55	0.0	-79.56	405.50	3.12	-76.44
CCCCC(O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730755	1	58	0.0	-79.71	426.99	3.90	-75.81
COC(C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(C)O	REAL300030730756	1	56	0.0	-80.10	412.12	1.81	-78.29
O=C(CSC1CC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730757	1	53	0.0	-80.64	412.05	6.12	-74.52
CCC(O)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730758	0	55	0.0	-81.15	409.11	3.08	-78.07
CC(Cl)=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730759	0	49	0.0	-80.13	381.80	5.02	-75.11
CC=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730760	0	49	0.0	-78.26	369.42	4.51	-73.75
CC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1F	REAL300030730762	1	52	0.0	-81.60	391.87	5.08	-76.52
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@H]3C[C@@H](O)C3)CC2)CC1	REAL300030730763	1	53	0.0	-86.97	390.41	1.36	-85.61
CC1(C)CC1CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730764	0	58	0.0	-78.38	427.92	6.63	-71.75
CC(NC(N)=O)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730765	1	54	0.0	-80.54	407.42	-0.54	-81.08
C=C(C)CCCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730766	0	58	0.0	-78.55	434.39	6.73	-71.82
CC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC(F)C1	REAL300030730767	1	55	0.0	-82.50	403.20	5.29	-77.21
C[C@@H]1C[C@H]1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730768	1	52	0.0	-78.36	388.27	5.35	-73.01
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@@H]3CC[C@@H]4C[C@@H]43)CC2)CC1	REAL300030730769	1	56	0.0	-78.45	404.86	6.19	-72.26
O=C(COC1COC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730770	1	54	0.0	-84.02	409.31	2.87	-81.15
C[C@@H]1C[C@]2(C(=O)N3CC[NH+](C4CCN(C(=O)C5=CC(=O)[N-]O5)CC4)CC3)C[C@H]12	REAL300030730771	1	56	0.0	-79.54	412.65	6.33	-73.21
CNC(=O)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730772	0	52	0.0	-89.76	393.02	2.97	-86.79
C=CC=CCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730773	0	53	0.0	-79.15	405.10	5.91	-73.24
C#CC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCC1	REAL300030730774	1	54	0.0	-77.12	404.64	5.77	-71.35
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730775	0	57	0.0	-66.24	412.36	3.01	-63.23
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730775	1	57	0.0	-72.10	408.29	2.99	-69.11
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CC=CCO3)CC2)CC1	REAL300030730776	1	54	0.0	-87.52	395.03	4.69	-82.83
O=C(CCOC1CC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730777	0	56	0.0	-78.04	422.83	4.75	-73.29
O=C(CCCCCO)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730778	0	58	0.0	-81.09	432.85	2.93	-78.16
O=C(C1=CSC=N1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730779	1	48	0.0	-73.22	375.94	3.63	-69.59
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3(CO)CCC3)CC2)CC1	REAL300030730780	1	56	0.0	-83.62	407.69	2.01	-81.61
NC(=O)CCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730781	0	52	0.0	-78.92	394.62	0.78	-78.14
C=CCC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030730782	1	56	0.0	-78.49	420.84	6.29	-72.20
O=C(COC(F)F)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730783	1	49	0.0	-80.93	381.26	3.69	-77.24
COC(C)(C)CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730784	0	58	0.0	-78.77	419.57	5.23	-73.54
CC(O)CCC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730785	0	55	0.0	-77.34	410.24	2.21	-75.13
CCS(O)=CC(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730786	1	53	0.0	-76.51	406.96	1.40	-75.11
C#CCC(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730787	1	53	0.0	-77.93	399.94	5.54	-72.39
CC(CCO)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730788	1	55	0.0	-81.64	404.17	1.65	-79.99
O=C(C(F)=CC1CC1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730789	1	53	0.0	-72.99	403.97	5.94	-67.05
O=C(CC1CC(F)C1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730790	0	55	0.0	-79.17	411.48	6.08	-73.09
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)[C@H](O)CF)CC2)CC1	REAL300030730791	1	49	0.0	-82.56	369.49	1.58	-80.98
CN1C=NN=C1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730792	1	51	0.0	-76.47	385.40	5.42	-71.05
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3(O)CC3)CC2)CC1	REAL300030730793	1	50	0.0	-76.21	377.52	1.28	-74.93
O=C(CC1CC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730794	1	52	0.0	-76.14	387.50	5.38	-70.76
CC(C)(F)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730795	1	51	0.0	-74.91	376.58	4.23	-70.68
CC(F)(F)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730796	1	48	0.0	-72.22	366.12	3.91	-68.31
COCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730797	1	49	0.0	-79.64	369.33	3.23	-76.41
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=CC=CC=N3)CC2)CC1	REAL300030730798	1	51	0.0	-73.37	387.16	4.99	-68.38
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=CC=NC=C3)CC2)CC1	REAL300030730799	1	51	0.0	-78.69	384.55	4.01	-74.68
CCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730800	1	51	0.0	-75.58	378.11	4.60	-70.98
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=CC=CN=C3)CC2)CC1	REAL300030730801	1	51	0.0	-75.98	386.07	4.02	-71.96
O=C(C1=CC=CO1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730802	1	49	0.0	-74.58	373.01	4.03	-70.55
CC(=O)NCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730803	1	52	0.0	-77.13	395.22	1.47	-75.66
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=CC=CC=C3)CC2)CC1	REAL300030730804	1	52	0.0	-76.44	390.24	5.79	-70.65
CC(C)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730805	1	54	0.0	-74.89	394.79	5.21	-69.68
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CCCCC3)CC2)CC1	REAL300030730806	1	58	0.0	-75.19	416.87	6.31	-68.88
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=CN=CC=N3)CC2)CC1	REAL300030730807	1	50	0.0	-74.39	381.39	3.11	-71.28
CC1=CC=CC=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730808	1	55	0.0	-74.61	410.10	6.44	-68.17
O=C(CC1CCCC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730809	1	58	0.0	-75.53	420.38	6.49	-69.04
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=CC=CS3)CC2)CC1	REAL300030730810	1	49	0.0	-76.02	381.49	4.88	-71.14
CC1CC1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730811	1	52	0.0	-74.27	382.45	5.27	-69.00
CC1=CC=CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030730812	1	55	0.0	-75.73	413.47	6.57	-69.16
CCOCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730813	1	52	0.0	-79.56	391.19	4.18	-75.38
CC(C)=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730814	1	52	0.0	-73.52	385.53	5.26	-68.26
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=COCCO3)CC2)CC1	REAL300030730815	1	52	0.0	-78.79	389.46	3.24	-75.55
CC(=O)NC(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730816	1	55	0.0	-76.77	411.38	2.14	-74.63
CC1=CC=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)O1	REAL300030730817	1	52	0.0	-77.63	391.61	4.59	-73.04
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CCCO3)CC2)CC1	REAL300030730818	1	53	0.0	-81.54	389.18	4.25	-77.29
CSCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730819	1	49	0.0	-78.91	379.67	4.31	-74.60
CC1=CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=NO1	REAL300030730820	1	51	0.0	-72.91	389.51	4.50	-68.41
CSCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730821	1	52	0.0	-74.92	401.29	5.08	-69.84
CC(C)CCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730822	1	57	0.0	-75.77	417.18	5.89	-69.88
O=C(C1=CSC=C1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730823	1	49	0.0	-74.73	381.82	4.90	-69.83
CC1=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C=CO1	REAL300030730824	1	52	0.0	-76.09	391.39	4.76	-71.33
O=C(CC1C=CCC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730825	1	56	0.0	-75.22	412.40	6.39	-68.83
O=C(CN1C=NN=N1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730826	1	50	0.0	-93.31	385.37	3.33	-89.98
CN1C=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C=N1	REAL300030730827	1	52	0.0	-76.64	394.23	3.65	-72.99
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CC=CCC3)CC2)CC1	REAL300030730828	1	56	0.0	-75.78	407.23	6.06	-69.72
CC1=NOC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030730829	1	51	0.0	-74.67	389.80	4.04	-70.63
O=C(C1=CC=CN1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730830	1	50	0.0	-79.40	375.56	4.18	-75.22
CC(=O)CCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730831	1	56	0.0	-85.08	422.69	5.30	-79.78
O=C(C1=COC=C1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730832	1	49	0.0	-78.89	373.00	3.99	-74.90
O=C(CN1C=CC=N1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730833	1	52	0.0	-83.81	396.77	4.21	-79.60
CC1=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)OC=C1	REAL300030730834	1	52	0.0	-74.96	391.20	4.86	-70.10
CCCCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730835	1	57	0.0	-75.66	421.10	6.17	-69.49
CC(C)(C)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730836	1	57	0.0	-73.94	409.80	5.73	-68.21
CC1=CC=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C=N1	REAL300030730837	1	54	0.0	-75.92	407.45	4.62	-71.30
CN1C=CC=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730838	1	53	0.0	-75.32	394.39	5.38	-69.94
CCCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730839	1	54	0.0	-75.72	399.61	5.38	-70.34
CC1=CC=CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=N1	REAL300030730840	1	54	0.0	-72.99	408.78	5.56	-67.43
CC(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730841	1	51	0.0	-74.59	373.37	4.25	-70.34
CCC(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730842	1	54	0.0	-74.53	392.04	4.88	-69.65
CC(C)SCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730843	1	55	0.0	-78.50	419.41	5.83	-72.67
N#CCSCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730844	1	50	0.0	-87.99	400.49	4.94	-83.05
CC(=O)N(C)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730845	1	55	0.0	-83.48	412.88	3.80	-79.68
CCC(CC)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730846	1	57	0.0	-76.27	408.43	5.51	-70.76
CC(C)OCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730847	1	58	0.0	-75.14	432.35	4.62	-70.52
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3COCCO3)CC2)CC1	REAL300030730848	1	54	0.0	-78.84	398.60	3.11	-75.73
O=C(C1=NNC=C1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730849	1	49	0.0	-74.28	372.21	2.98	-71.30
O=C(C1=CC=NN1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730849	1	49	0.0	-77.79	370.84	2.78	-75.01
CSC(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730850	1	52	0.0	-77.15	396.39	4.77	-72.38
CCOC(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730851	1	55	0.0	-78.54	406.51	4.61	-73.93
CCOCCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730852	1	58	0.0	-78.77	433.64	4.64	-74.13
O=C(COCC1CC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730853	1	56	0.0	-78.21	422.85	5.76	-72.45
O=C(CC1CCCO1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730854	1	56	0.0	-76.96	409.38	4.61	-72.35
O=C(C1=CNN=C1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730855	1	49	0.0	-76.99	370.53	2.30	-74.69
COCCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730856	1	55	0.0	-78.83	411.78	3.67	-75.16
CCSCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730857	1	55	0.0	-74.73	422.81	5.96	-68.77
CCOC1CC1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730858	1	56	0.0	-78.07	419.39	5.81	-72.26
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=NSN=C3)CC2)CC1	REAL300030730859	1	47	0.0	-72.60	370.29	2.52	-70.08
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=CN=NS3)CC2)CC1	REAL300030730860	1	47	0.0	-82.37	368.02	2.21	-80.16
COC(=O)NCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730861	1	53	0.0	-77.72	406.06	0.89	-76.83
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=NOC=C3)CC2)CC1	REAL300030730862	1	48	0.0	-73.13	367.52	3.63	-69.50
CCCSCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730863	1	55	0.0	-78.49	422.64	6.00	-72.49
CC(=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030730864	1	56	0.0	-73.77	413.39	6.67	-67.10
CC1=NNC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030730865	1	52	0.0	-76.92	393.85	3.33	-73.59
CC1=CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=NN1	REAL300030730865	1	52	0.0	-76.78	390.21	3.15	-73.63
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=CN=CS3)CC2)CC1	REAL300030730866	1	48	0.0	-78.65	376.42	3.02	-75.63
CCC=C(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730867	1	55	0.0	-75.34	411.04	5.83	-69.51
CC1=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)N=CO1	REAL300030730868	1	51	0.0	-72.71	385.84	2.52	-70.19
CCOC(CC)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730869	1	58	0.0	-78.33	423.83	5.26	-73.07
O=C(CC(F)(F)F)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730870	1	48	0.0	-81.07	374.03	4.25	-76.82
COC(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730871	1	52	0.0	-78.65	384.66	3.66	-74.99
CC(C)OCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730872	1	55	0.0	-79.42	411.46	4.92	-74.50
CCCOCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730873	1	55	0.0	-79.41	412.68	4.99	-74.42
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CCOC3)CC2)CC1	REAL300030730874	1	53	0.0	-77.51	386.39	2.96	-74.55
CN1N=CC=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730875	1	52	0.0	-78.55	389.73	3.69	-74.86
CCC(OC)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730876	1	55	0.0	-78.42	401.97	4.30	-74.12
COCCCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730877	1	58	0.0	-76.44	433.28	4.46	-71.98
CCCC(C)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730878	1	60	0.0	-74.91	434.57	6.63	-68.28
COC(C)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730879	1	55	0.0	-76.98	409.42	4.42	-72.56
C=CCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730880	1	52	0.0	-74.57	391.24	5.32	-69.25
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=COCCC3)CC2)CC1	REAL300030730881	1	54	0.0	-75.45	397.72	4.21	-71.24
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CCCOC3)CC2)CC1	REAL300030730882	1	56	0.0	-74.28	405.39	3.73	-70.55
CCOCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730883	1	55	0.0	-75.30	412.14	3.88	-71.42
O=C(C1=CSC=N1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730884	1	48	0.0	-71.73	375.95	3.66	-68.07
COCC(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730885	1	55	0.0	-75.80	406.30	3.36	-72.44
C=CCOCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730886	1	53	0.0	-80.02	404.09	4.76	-75.26
O=C(C1=COC=N1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730887	1	48	0.0	-72.86	368.34	1.79	-71.07
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)CC1	REAL300030730888	1	53	0.0	-85.61	397.73	1.64	-83.97
CC1=NC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=CN1	REAL300030730889	1	52	0.0	-72.78	390.28	3.79	-68.99
CSCC(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730890	1	55	0.0	-75.17	416.06	5.39	-69.78
C[N@@H+]1CCCC1C(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730891	0	57	0.0	-70.63	411.11	3.23	-67.40
C[N@H+]1CCCC1C(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730891	1	57	0.0	-69.86	406.13	2.68	-67.18
CCC(=O)NCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730892	1	55	0.0	-76.78	415.53	2.29	-74.49
CC(C)(C)C=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730893	1	58	0.0	-75.20	427.40	6.34	-68.86
CC(C#N)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730894	1	49	0.0	-86.08	375.62	4.09	-81.99
COCCOCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730895	1	56	0.0	-82.21	424.81	3.43	-78.78
CCCC(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730896	1	57	0.0	-74.60	413.54	5.65	-68.95
CC(C)(C)C(=O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730897	1	56	0.0	-72.51	414.16	5.01	-67.50
O=C(CCC1CC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730898	1	55	0.0	-75.77	409.67	6.17	-69.60
CCCCOCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730899	1	58	0.0	-79.40	434.18	5.77	-73.63
O=C(CC1=NOC=C1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730900	1	51	0.0	-82.15	390.81	4.19	-77.96
O=C(CC1CCOC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730901	1	56	0.0	-75.55	411.39	4.06	-71.49
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CC=CC3)CC2)CC1	REAL300030730902	1	53	0.0	-75.78	387.64	5.44	-70.34
O=C(CC1=NNC=C1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730903	1	52	0.0	-81.13	395.64	3.27	-77.86
CC1=CC=NC=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730904	1	54	0.0	-75.21	405.42	4.70	-70.51
CC1=CN=CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030730905	1	54	0.0	-75.77	407.30	4.65	-71.12
O=C(CC1CCC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730906	1	55	0.0	-75.80	404.39	5.92	-69.88
CC1=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)OC=N1	REAL300030730907	1	51	0.0	-77.36	386.35	1.52	-75.84
CC(C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030730908	1	55	0.0	-74.59	402.99	5.83	-68.76
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3C4CCCC43)CC2)CC1	REAL300030730909	1	56	0.0	-73.76	402.85	6.47	-67.29
N#CC1=CNC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030730910	1	51	0.0	-85.12	397.97	4.55	-80.57
O=C(CCC1CCC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730911	1	58	0.0	-75.78	426.35	6.67	-69.11
CC1=CC=CN=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730912	1	54	0.0	-74.94	410.74	4.64	-70.30
CC1=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C=CN1	REAL300030730913	1	53	0.0	-75.30	398.20	4.45	-70.85
CC=C(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730914	1	52	0.0	-75.27	389.76	4.93	-70.34
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CC(F)(F)C3)CC2)CC1	REAL300030730915	1	52	0.0	-77.81	396.09	5.25	-72.56
CC1CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030730916	1	55	0.0	-75.90	403.36	5.71	-70.19
O=C(C=C1CCC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730917	1	53	0.0	-75.13	395.12	5.93	-69.20
CCC(=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)CC	REAL300030730918	1	58	0.0	-72.75	424.62	6.75	-66.00
CC(C)=C(F)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730919	1	52	0.0	-75.71	396.42	5.10	-70.61
O=C(C1=CCCC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730920	1	53	0.0	-74.70	387.98	5.41	-69.29
CN1C=CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030730921	1	53	0.0	-75.94	398.07	5.57	-70.37
CN1C=NC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030730922	1	52	0.0	-72.95	394.30	5.92	-67.03
O=C(CC1=CC=CN=C1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730923	1	54	0.0	-80.56	411.40	5.03	-75.53
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CCCCO3)CC2)CC1	REAL300030730924	1	56	0.0	-80.43	407.78	5.11	-75.32
CCC(SC)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730925	1	55	0.0	-76.62	413.29	5.38	-71.24
CC1(C)CC1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730926	1	55	0.0	-74.14	403.16	5.80	-68.34
N#CC1=CC=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)N1	REAL300030730927	1	51	0.0	-79.26	397.61	4.54	-74.72
CCC(C)OCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730928	1	58	0.0	-79.29	432.22	5.73	-73.56
CC1(C)C[C@@H]1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730929	1	55	0.0	-74.58	403.30	5.92	-68.66
CSC(C)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730930	1	55	0.0	-76.84	417.17	5.65	-71.19
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1	REAL300030730931	1	53	0.0	-80.15	389.32	4.34	-75.81
C#CCCCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730932	1	56	0.0	-76.54	426.89	6.69	-69.85
CC(C)(C)OCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730933	1	58	0.0	-79.46	425.44	5.32	-74.14
N#CC1=CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=CN1	REAL300030730934	1	51	0.0	-78.55	397.79	4.06	-74.49
CCNC(=O)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730935	1	55	0.0	-87.74	414.13	3.70	-84.04
COC(C)CCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730936	1	58	0.0	-76.56	431.27	4.45	-72.11
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=CN=CN=C3)CC2)CC1	REAL300030730937	1	50	0.0	-78.29	379.30	3.73	-74.56
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=CCOCC3)CC2)CC1	REAL300030730938	1	54	0.0	-78.19	403.08	3.87	-74.32
O=C(CC1=COC=C1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730939	1	52	0.0	-78.88	397.31	4.77	-74.11
CC1=NC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=CO1	REAL300030730940	1	51	0.0	-72.87	389.70	2.40	-70.47
C[C@H](NC(N)=O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730941	1	54	0.0	-77.34	405.46	-0.73	-78.07
CC1=CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=CO1	REAL300030730942	1	52	0.0	-78.67	394.91	4.83	-73.84
O=C(C=CC1=CC=CN1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730943	1	54	0.0	-78.00	410.90	5.34	-72.66
CCC(C)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730944	1	57	0.0	-74.89	413.07	5.87	-69.02
C#CCCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730945	1	53	0.0	-79.11	405.39	5.90	-73.21
C=CC(C)(O)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730946	1	56	0.0	-77.36	413.48	3.66	-73.70
CC(C)(O)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730947	1	55	0.0	-78.45	403.60	2.92	-75.53
COC(C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030730948	1	56	0.0	-80.06	413.04	5.35	-74.71
CC1=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)NC=C1	REAL300030730949	1	53	0.0	-76.14	399.11	4.26	-71.88
CN1N=NC=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730950	1	51	0.0	-80.56	383.93	2.14	-78.42
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3COC(=O)N3)CC2)CC1	REAL300030730951	1	51	0.0	-90.59	388.09	0.33	-90.26
CCCCC(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730952	1	60	0.0	-74.88	434.23	6.51	-68.37
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@H]3C[C@@H]3C(F)F)CC2)CC1	REAL300030730953	1	52	0.0	-77.50	395.67	5.21	-72.29
CC1(C)CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030730954	1	58	0.0	-75.93	423.10	6.17	-69.76
CC(C)[C@@H](O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730955	1	55	0.0	-76.22	397.31	3.03	-73.19
CN1C=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)N=N1	REAL300030730956	1	51	0.0	-73.32	389.80	2.71	-70.61
CN1C=NC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=N1	REAL300030730957	1	51	0.0	-78.53	389.66	5.16	-73.37
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CC3(F)F)CC2)CC1	REAL300030730958	1	49	0.0	-77.99	379.34	4.74	-73.25
CCC(C)=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730959	1	55	0.0	-73.30	407.31	6.03	-67.27
CC1=CN=CC=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730960	1	54	0.0	-76.54	405.20	4.66	-71.88
CC(C)C#CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730961	1	53	0.0	-74.67	406.63	5.88	-68.79
O=C(CC1(O)CCC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730962	1	56	0.0	-75.11	411.43	3.93	-71.18
CC1=CNN=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730963	1	52	0.0	-73.64	390.77	3.65	-69.99
CC(C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)=C1CCC1	REAL300030730964	1	56	0.0	-75.39	411.28	6.32	-69.07
O=C(C#CC1CC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730965	1	51	0.0	-75.73	396.30	6.06	-69.67
CC(C)(C)C#CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730966	1	56	0.0	-75.59	426.73	6.40	-69.19
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1	REAL300030730967	1	51	0.0	-81.74	395.87	5.06	-76.68
CCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730968	1	48	0.0	-75.76	356.61	3.84	-71.92
COCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730969	1	52	0.0	-75.47	390.23	2.91	-72.56
CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730970	1	45	0.0	-75.91	336.24	3.06	-72.85
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CC3)CC2)CC1	REAL300030730971	1	49	0.0	-74.20	366.56	4.57	-69.63
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CCC3)CC2)CC1	REAL300030730972	1	52	0.0	-76.00	382.35	5.06	-70.94
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CCCC3)CC2)CC1	REAL300030730973	1	55	0.0	-74.66	396.16	5.54	-69.12
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CCOCC3)CC2)CC1	REAL300030730974	1	56	0.0	-79.37	407.72	3.90	-75.47
CN1N=CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=N1	REAL300030730975	1	51	0.0	-74.52	389.36	2.52	-72.00
CCC(C(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030730976	0	59	0.0	-68.22	417.96	3.28	-64.94
CC1COC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030730977	1	56	0.0	-79.46	409.96	4.87	-74.59
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@]34C[C@H]3CCC4)CC2)CC1	REAL300030730978	1	56	0.0	-76.85	411.32	6.31	-70.54
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)CC1	REAL300030730979	1	53	0.0	-88.59	394.58	1.49	-87.10
CCC[N@H+](C)CC(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730980	0	59	0.0	-68.06	426.71	3.56	-64.50
CCC[N@@H+](C)CC(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730980	1	59	0.0	-68.24	426.69	3.56	-64.68
CC1=NC=CC=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730981	1	54	0.0	-76.65	405.31	4.75	-71.90
CC(C)(C)CCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730982	1	60	0.0	-75.98	433.29	6.31	-69.67
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=CC=NC=N3)CC2)CC1	REAL300030730983	1	50	0.0	-72.71	381.62	4.83	-67.88
CC1=CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=CC=N1	REAL300030730984	1	54	0.0	-78.57	406.52	4.71	-73.86
O=C(CC1=CC=CO1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730985	1	52	0.0	-80.12	397.32	4.96	-75.16
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=NC=CC=N3)CC2)CC1	REAL300030730986	1	50	0.0	-78.74	384.56	3.68	-75.06
CCC(C)CCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730987	1	60	0.0	-75.81	435.40	6.56	-69.25
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=CC=CN=N3)CC2)CC1	REAL300030730988	1	50	0.0	-73.41	381.92	3.48	-69.93
CC1OCCC1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730989	1	56	0.0	-78.26	407.58	3.75	-74.51
CC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCOC1	REAL300030730990	1	56	0.0	-76.23	401.60	3.35	-72.88
CCC(CC)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730991	1	60	0.0	-75.01	431.12	6.59	-68.42
CCC(C)C(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730992	1	60	0.0	-74.09	425.68	6.16	-67.93
CCCC(CC)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730993	1	60	0.0	-76.60	427.47	6.20	-70.40
CCC1(C)CC1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730994	1	58	0.0	-74.13	420.01	6.39	-67.74
COCC(C)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730995	1	58	0.0	-77.96	427.78	4.32	-73.64
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3(C(F)F)CC3)CC2)CC1	REAL300030730996	1	52	0.0	-72.09	394.79	5.03	-67.06
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CCC(F)C3)CC2)CC1	REAL300030730997	1	55	0.0	-78.44	402.20	5.60	-72.84
CC1(CCC(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030730998	1	58	0.0	-76.44	426.01	6.54	-69.90
CC1=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)ON=C1	REAL300030730999	1	51	0.0	-73.68	386.19	3.97	-69.71
CC[N@H+](C)CCC(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731000	0	59	0.0	-70.07	427.55	3.42	-66.65
CC[N@@H+](C)CCC(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731000	1	59	0.0	-69.79	427.55	3.41	-66.38
CC1=CON=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731001	1	51	0.0	-73.15	386.64	4.39	-68.76
O=C(CN1N=CN=N1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731002	1	50	0.0	-86.40	386.88	2.94	-83.46
CCCC[C@@H](C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731003	1	60	0.0	-76.25	437.96	6.58	-69.67
CCC(C)(C)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731004	1	60	0.0	-73.79	424.03	6.21	-67.58
CC(C)C(C)(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731005	1	60	0.0	-75.94	414.05	5.57	-70.37
C=CC(C)(C)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731006	1	58	0.0	-73.56	418.41	6.12	-67.44
O=C(CN1N=CC=N1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731007	1	51	0.0	-83.64	392.17	2.57	-81.07
CC1=NC=CC=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731008	1	54	0.0	-76.65	405.31	4.75	-71.90
C=CCCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731009	1	55	0.0	-76.26	412.42	5.95	-70.31
CCC(C)(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731010	1	57	0.0	-76.79	400.83	5.09	-71.70
CCCC(C)(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731011	1	60	0.0	-76.87	422.37	5.87	-71.00
NC(=O)C1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030731012	1	53	0.0	-73.11	402.75	0.95	-72.16
NC(=O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731013	1	46	0.0	-71.95	349.59	-0.87	-72.82
CC1=NOC=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731014	1	51	0.0	-80.62	389.23	4.09	-76.53
CC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC=CC1	REAL300030731015	1	56	0.0	-76.32	401.87	5.63	-70.69
COC(C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(C)C	REAL300030731016	1	58	0.0	-79.16	423.51	5.04	-74.12
CC1CC1CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731017	1	55	0.0	-76.18	408.92	6.05	-70.13
C=CC(C)(CC)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731018	1	58	0.0	-74.47	404.46	5.88	-68.59
O=C(C[C@H]1CCOC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731019	1	56	0.0	-76.78	411.43	4.10	-72.68
CCC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030731020	1	55	0.0	-74.26	406.60	5.58	-68.68
CC(C)(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731021	1	54	0.0	-76.75	387.01	4.62	-72.13
CC1=CC=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C=C1	REAL300030731022	1	55	0.0	-75.58	413.46	6.59	-68.99
O=C(CC1=NN=CN1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731023	1	51	0.0	-89.06	389.81	4.24	-84.82
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3C=CC=CC=C3)CC2)CC1	REAL300030731024	1	55	0.0	-74.45	404.03	6.28	-68.17
C=C(C)CCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731025	1	55	0.0	-75.02	412.27	5.82	-69.20
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=CC=NS3)CC2)CC1	REAL300030731026	1	48	0.0	-77.46	376.74	3.56	-73.90
CC(F)(F)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731027	1	51	0.0	-82.37	388.51	4.80	-77.57
CCCC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030731028	1	58	0.0	-74.55	427.94	6.36	-68.19
COCC(OC)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731029	1	56	0.0	-78.66	415.30	3.08	-75.58
CCC[C@@H]1C[C@H]1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731030	1	58	0.0	-73.94	430.86	6.81	-67.13
CC(C)C1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030731031	1	58	0.0	-74.56	418.63	5.87	-68.69
C=C1CC(C)(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030731032	1	56	0.0	-75.93	410.50	5.88	-70.05
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3(CF)CC3)CC2)CC1	REAL300030731033	1	52	0.0	-76.00	390.81	4.98	-71.02
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CC4(CC4)C3)CC2)CC1	REAL300030731034	1	56	0.0	-76.18	414.71	6.44	-69.74
CCCCCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731035	1	60	0.0	-75.68	442.60	6.95	-68.73
CC(C)C(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731036	1	57	0.0	-75.34	411.81	5.62	-69.72
CC1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030731037	1	58	0.0	-76.67	419.50	6.37	-70.30
C#CCOCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731038	1	54	0.0	-76.48	417.92	4.42	-72.06
C#CCOC(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731039	1	54	0.0	-81.56	412.30	5.15	-76.41
CC(C)(C(N)=O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731040	1	55	0.0	-89.15	398.38	2.22	-86.93
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3(C4CC4)CC3)CC2)CC1	REAL300030731041	1	56	0.0	-74.97	399.29	6.15	-68.82
COC1CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030731042	1	56	0.0	-77.02	415.88	4.04	-72.98
NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731043	1	53	0.0	-78.50	400.77	1.87	-76.63
CC[C@@H](C(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030731044	0	59	0.0	-66.31	413.10	3.09	-63.22
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3(CF)CCC3)CC2)CC1	REAL300030731045	1	55	0.0	-78.63	402.21	5.47	-73.16
CC[C@@H]1C[C@H]1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731046	1	55	0.0	-75.62	409.12	6.02	-69.60
CC(C)CCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731047	1	60	0.0	-75.55	438.67	6.67	-68.88
O=C(CN1C=NC=N1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731048	1	51	0.0	-86.98	391.55	5.64	-81.34
NC(=O)NCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731049	1	54	0.0	-87.94	410.34	-0.64	-88.58
CC1=CN=CC=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731050	1	54	0.0	-76.54	405.20	4.66	-71.88
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CCC3(F)F)CC2)CC1	REAL300030731051	1	52	0.0	-76.52	393.93	5.16	-71.36
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=NSC=C3)CC2)CC1	REAL300030731052	1	48	0.0	-72.07	375.75	3.92	-68.15
CC(C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CCC1	REAL300030731053	1	58	0.0	-75.92	422.46	6.35	-69.57
CC1CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CO1	REAL300030731054	1	56	0.0	-75.45	407.81	3.77	-71.68
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CC34CC4)CC2)CC1	REAL300030731055	1	53	0.0	-74.39	398.80	6.05	-68.34
O=C(CC1=CN=CN1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731056	1	52	0.0	-84.50	395.94	4.29	-80.21
C=CCC(C)(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731057	1	58	0.0	-76.53	415.85	5.70	-70.83
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CC34CCC4)CC2)CC1	REAL300030731058	1	56	0.0	-73.91	410.34	6.26	-67.65
CC1=CNC=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731059	1	53	0.0	-79.90	395.86	4.46	-75.44
CN1C=CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=N1	REAL300030731060	1	52	0.0	-74.44	395.01	4.31	-70.13
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3(F)CCCC3)CC2)CC1	REAL300030731061	1	55	0.0	-74.52	400.31	5.53	-68.99
CN1C=NC=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731062	1	52	0.0	-77.76	389.49	4.88	-72.88
CN(C)C(=O)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731063	1	55	0.0	-88.63	410.42	4.80	-83.83
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)CC2)CC1	REAL300030731064	1	56	0.0	-74.61	416.86	6.57	-68.04
COCCC(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731065	1	58	0.0	-77.39	425.71	3.94	-73.45
CCC(C)(CC)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731066	1	60	0.0	-76.79	416.98	5.56	-71.23
COCC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030731067	1	56	0.0	-77.27	419.83	3.96	-73.31
COCC(C)(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731068	1	58	0.0	-76.83	418.35	3.86	-72.97
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@H]3CCCO3)CC2)CC1	REAL300030731069	1	53	0.0	-80.70	389.89	4.37	-76.33
O=C(CCC(F)F)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731070	1	51	0.0	-79.29	390.77	4.86	-74.43
O=C(C1=CC(F)=CN1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731071	1	50	0.0	-80.16	382.02	4.21	-75.95
CC1(CC(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030731072	1	55	0.0	-75.18	407.60	5.88	-69.30
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3(CCF)CC3)CC2)CC1	REAL300030731073	1	55	0.0	-74.57	413.04	5.74	-68.83
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@]34C[C@H]3COC4)CC2)CC1	REAL300030731074	1	54	0.0	-79.09	398.87	3.66	-75.43
CC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030731075	1	52	0.0	-75.00	386.48	4.92	-70.08
O=C(C1=CNC=C1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731076	1	50	0.0	-79.96	376.87	3.77	-76.19
CC(CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030731077	1	58	0.0	-75.14	424.64	6.68	-68.46
O=C(C1=CSN=N1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731078	1	47	0.0	-71.98	370.72	2.76	-69.22
CC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCCC1	REAL300030731079	1	58	0.0	-75.82	410.31	5.90	-69.92
O=C(C1=CN=CO1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731080	1	48	0.0	-78.22	367.85	0.80	-77.42
CNC(=O)NCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731081	1	54	0.0	-77.99	410.09	0.12	-77.87
C=CCCOCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731082	1	56	0.0	-79.29	425.50	5.55	-73.74
C=CCOC(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731083	1	56	0.0	-78.90	419.42	5.18	-73.72
NC(=O)CCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731084	1	55	0.0	-87.54	415.79	1.45	-86.09
CC1=NNC=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731085	1	52	0.0	-80.03	391.96	2.94	-77.09
CC1=NNN=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731086	1	51	0.0	-73.24	385.34	2.14	-71.10
CCCC(OC)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731087	1	58	0.0	-78.49	423.47	5.07	-73.42
C=C(C)C(C)(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731088	1	58	0.0	-76.75	411.84	5.59	-71.16
CC(CC(N)=O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731089	1	55	0.0	-75.70	406.38	1.10	-74.60
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CCNC3=O)CC2)CC1	REAL300030731090	1	53	0.0	-72.35	395.71	1.43	-70.92
C=CC(C)(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731091	1	55	0.0	-77.49	395.85	5.03	-72.46
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731092	0	57	0.0	-72.85	408.30	2.99	-69.86
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731092	1	57	0.0	-64.93	408.99	2.93	-62.00
C[C@@H]1C[C@H]1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731093	1	52	0.0	-75.60	387.69	5.24	-70.36
CC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCC1	REAL300030731094	1	55	0.0	-74.66	396.78	5.25	-69.41
CCC(F)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731095	1	51	0.0	-76.61	383.53	4.72	-71.89
O=C(CCCF)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731096	1	51	0.0	-79.25	384.70	4.73	-74.52
CC1=COC=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731097	1	52	0.0	-77.90	394.14	4.72	-73.18
C[C@H]1C[C@@H]1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731098	1	52	0.0	-74.29	388.23	5.37	-68.92
CC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C=CCC1	REAL300030731099	1	56	0.0	-75.37	403.11	5.67	-69.70
CN1N=NC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=N1	REAL300030731100	1	50	0.0	-76.64	384.75	2.17	-74.47
CC1=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)NC=N1	REAL300030731101	1	52	0.0	-81.75	390.34	4.62	-77.13
CC(C)C(F)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731102	1	54	0.0	-80.34	400.30	5.12	-75.22
C=CC(C)C(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731103	1	58	0.0	-74.43	421.90	6.10	-68.33
CCC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCC1	REAL300030731104	1	58	0.0	-74.56	414.56	5.82	-68.74
CC#CCCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731105	1	56	0.0	-79.67	427.21	6.86	-72.81
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)CC1	REAL300030731106	1	54	0.0	-75.62	402.55	4.09	-71.53
O=C(CCCC1CC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731107	1	58	0.0	-76.08	431.22	6.94	-69.14
CC1(C)CCC1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731108	1	58	0.0	-73.19	417.97	6.10	-67.09
CC1=COC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030731109	1	52	0.0	-75.48	391.67	4.51	-70.97
C=CC(CC)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731110	1	58	0.0	-75.24	428.15	6.43	-68.81
CC(C)(C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030731111	1	58	0.0	-74.91	406.59	5.45	-69.46
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)CC2)CC1	REAL300030731112	1	56	0.0	-76.62	410.08	6.52	-70.10
O=C(CC1=CON=C1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731113	1	51	0.0	-82.14	391.55	4.22	-77.92
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3(F)CCOC3)CC2)CC1	REAL300030731114	1	53	0.0	-75.52	392.56	3.01	-72.51
CC(C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(C)(C)C	REAL300030731115	1	60	0.0	-72.92	419.09	5.83	-67.09
O=C(CC1=CC=CN=C1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731116	1	54	0.0	-80.56	411.40	5.03	-75.53
O=C(C1=NNN=C1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731117	1	48	0.0	-73.65	366.80	1.56	-72.09
O=C(CO)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731118	1	46	0.0	-81.14	347.08	0.93	-80.21
NC(=O)C=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731119	1	50	0.0	-76.80	385.80	0.57	-76.23
NC1=NNC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=N1	REAL300030731120	1	50	0.0	-74.04	382.93	3.38	-70.66
COC(=O)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731121	1	51	0.0	-84.78	388.50	4.80	-79.98
C#CCSCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731122	1	51	0.0	-81.41	406.92	5.73	-75.68
CSC=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731123	1	50	0.0	-74.54	391.40	4.83	-69.71
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3(CO)CCC3)CC2)CC1	REAL300030731124	1	56	0.0	-79.53	406.72	2.03	-77.50
NC(=O)CCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731125	1	52	0.0	-76.01	394.29	0.67	-75.34
C=CCC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030731126	1	56	0.0	-75.09	420.00	6.16	-68.93
O=C(COC(F)F)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731127	1	49	0.0	-78.42	380.94	3.57	-74.85
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=CCCS3)CC2)CC1	REAL300030731128	1	51	0.0	-72.65	389.60	5.04	-67.61
CC1=NOC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030731129	1	53	0.0	-85.33	398.64	4.34	-80.99
O=C(NC1CC1)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731130	1	53	0.0	-71.26	403.10	2.34	-68.92
NC1=NNC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030731131	1	51	0.0	-77.41	387.70	1.47	-75.94
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CCSC3)CC2)CC1	REAL300030731132	1	53	0.0	-77.68	396.03	5.22	-72.46
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CCO3)CC2)CC1	REAL300030731133	1	50	0.0	-81.06	372.48	3.36	-77.70
CCCC(O)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731134	1	58	0.0	-79.18	430.28	3.74	-75.44
CC(C)(CC#N)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731135	1	55	0.0	-78.70	403.79	4.81	-73.89
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3(Cl)CC3)CC2)CC1	REAL300030731136	1	49	0.0	-72.49	379.81	4.87	-67.62
O=C(C1=CCCO1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731137	1	51	0.0	-71.92	381.40	3.76	-68.16
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3(CO)COC3)CC2)CC1	REAL300030731138	1	54	0.0	-81.76	398.12	-0.81	-82.57
CC(C)=CCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731139	1	58	0.0	-75.06	430.27	6.61	-68.45
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3COC3)CC2)CC1	REAL300030731140	1	50	0.0	-77.87	373.51	2.29	-75.58
N#CC1=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCC1	REAL300030731141	1	54	0.0	-84.28	406.55	5.73	-78.55
CC1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)O1	REAL300030731142	1	56	0.0	-79.83	410.11	5.03	-74.80
NC1=CNN=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731143	1	51	0.0	-73.86	384.06	0.89	-72.97
O=C(C=CCO)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731144	1	50	0.0	-79.08	380.58	1.18	-77.90
CC1=NC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=NN1	REAL300030731145	1	51	0.0	-78.69	388.39	3.33	-75.36
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@@H]3C[C@@H]3C(F)F)CC2)CC1	REAL300030731146	1	52	0.0	-76.43	389.71	5.51	-70.92
O=C(C1=COC(=O)N1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731147	1	49	0.0	-81.57	382.49	1.06	-80.51
CC=CC(O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731148	1	53	0.0	-76.63	396.71	2.82	-73.81
CCCC[C@H](C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731149	1	60	0.0	-76.22	437.51	6.55	-69.67
C[C@@H](C(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030731150	0	56	0.0	-68.55	404.87	2.60	-65.95
CCC=C(F)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731151	1	52	0.0	-72.10	394.54	5.27	-66.83
CCC=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731152	1	52	0.0	-75.13	390.57	5.30	-69.83
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CNC(=O)C3)CC2)CC1	REAL300030731153	1	53	0.0	-86.67	393.60	1.22	-85.45
NC1=NON=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731154	1	49	0.0	-72.79	376.55	2.23	-70.56
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)CC1	REAL300030731155	1	52	0.0	-90.83	391.89	-0.71	-91.54
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=CN=CS3)CC2)CC1	REAL300030731156	1	48	0.0	-78.65	376.42	3.02	-75.63
[N-]=[N+]=NCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731157	1	50	0.0	-75.59	386.70	0.45	-75.14
C#CCOCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731158	1	51	0.0	-82.78	396.97	4.72	-78.06
O=C(CC1=NN=CO1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731159	1	50	0.0	-87.18	386.71	-0.98	-88.16
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CCCS3)CC2)CC1	REAL300030731161	1	53	0.0	-73.02	400.35	5.56	-67.46
COC(C)(C)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731162	1	58	0.0	-75.67	419.03	5.04	-70.63
CC(O)CCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731163	1	55	0.0	-75.27	409.86	2.10	-73.17
CCS(O)=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731164	1	53	0.0	-78.02	406.94	1.41	-76.61
O=C(CN1C=CC=C1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731165	1	53	0.0	-82.15	402.79	6.11	-76.04
C#CCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731166	1	50	0.0	-75.51	383.83	5.12	-70.39
CC(=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(C)C	REAL300030731167	1	58	0.0	-73.21	424.14	6.51	-66.70
COC1(CC(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030731168	1	56	0.0	-77.83	418.05	4.25	-73.58
O=C(CC1CC1(F)F)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731169	1	52	0.0	-77.50	400.57	5.54	-71.96
CC[C@H](C)[C@H](O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731170	1	58	0.0	-76.56	413.44	3.58	-72.98
CC=CC=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731171	1	53	0.0	-75.18	404.63	5.96	-69.22
CN1N=CN=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731172	1	51	0.0	-73.01	385.35	5.23	-67.78
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@@H]3CC[C@@H](O)C3)CC2)CC1	REAL300030731173	1	56	0.0	-77.32	410.74	2.43	-74.89
CS(=O)C=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731174	1	51	0.0	-83.45	401.67	2.28	-81.17
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@@H]3CC=CCC3)CC2)CC1	REAL300030731175	1	56	0.0	-75.51	409.92	6.17	-69.34
COCC=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731176	1	53	0.0	-77.77	402.83	3.58	-74.19
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CC4CC4C3)CC2)CC1	REAL300030731177	1	56	0.0	-76.71	407.87	6.40	-70.31
CS(=O)CCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731178	1	53	0.0	-82.47	410.87	2.43	-80.04
CCC(C)(O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731180	1	55	0.0	-73.22	398.76	2.08	-71.14
C#CCC(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731181	1	53	0.0	-74.94	398.62	5.52	-69.42
C=CC(O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731182	1	50	0.0	-76.90	375.00	2.00	-74.90
[N-]=[N+]=NCCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731183	1	53	0.0	-79.94	408.25	1.26	-78.68
CC1(C)COC1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731184	1	56	0.0	-79.21	408.48	4.32	-74.89
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C34CC3CC4)CC2)CC1	REAL300030731185	1	53	0.0	-76.12	393.24	5.65	-70.47
CCCC(C)=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731186	1	58	0.0	-73.27	428.81	6.81	-66.46
C=C[C@H](C)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731187	1	55	0.0	-74.58	407.56	5.74	-68.84
O=C(C=CC1CC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731188	1	53	0.0	-75.23	401.42	6.11	-69.12
CC1=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C=NO1	REAL300030731189	1	51	0.0	-76.64	388.95	4.18	-72.46
CC(C)CC(=O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731190	1	56	0.0	-70.93	415.63	5.12	-65.81
CC1CC1(C#N)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731191	1	53	0.0	-76.56	404.75	5.16	-71.40
CCC(C#N)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731192	1	52	0.0	-72.63	393.54	4.43	-68.20
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@@H]3CNC(=O)O3)CC2)CC1	REAL300030731193	1	51	0.0	-93.52	386.47	0.84	-92.68
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3C4CCC43)CC2)CC1	REAL300030731194	1	53	0.0	-76.31	386.26	5.77	-70.54
C=C1CCC1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731195	1	53	0.0	-75.92	393.11	5.46	-70.46
C[C@H]1C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)[C@H]1C	REAL300030731196	1	55	0.0	-73.97	396.87	5.87	-68.10
CC[N@H+](C)CC(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731197	0	56	0.0	-67.72	405.19	2.82	-64.90
CC[N@@H+](C)CC(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731197	1	56	0.0	-67.85	405.19	2.82	-65.03
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CC4(C3)N=N4)CC2)CC1	REAL300030731198	1	52	0.0	-77.89	395.74	0.08	-77.81
CC(O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731199	1	49	0.0	-77.12	364.28	1.60	-75.52
CC(=O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731200	1	47	0.0	-71.41	356.73	2.94	-68.47
NC1=NNC=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731201	1	51	0.0	-82.29	383.98	1.34	-80.95
CC(NC(N)=O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731202	1	54	0.0	-77.54	406.50	-0.58	-78.12
CCOC(=O)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731203	1	54	0.0	-84.40	410.37	5.71	-78.69
CC1=CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=CN1	REAL300030731205	1	53	0.0	-78.39	398.42	4.34	-74.05
COCC(C)(O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731206	1	56	0.0	-73.61	414.53	0.93	-72.68
CC1=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCC1	REAL300030731207	1	56	0.0	-73.21	404.78	6.17	-67.04
N#CCCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731208	1	52	0.0	-86.22	398.96	5.12	-81.10
N#CC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030731209	1	50	0.0	-76.50	384.79	4.60	-71.90
C=C1CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030731210	1	53	0.0	-75.61	396.39	5.58	-70.03
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@]34C[C@H]3[C@H](O)C4)CC2)CC1	REAL300030731211	1	54	0.0	-85.01	401.65	2.13	-82.88
O=C(CCCCCF)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731212	1	57	0.0	-78.42	427.70	6.29	-72.13
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C34CC(C3)CO4)CC2)CC1	REAL300030731213	1	54	0.0	-73.96	398.45	4.05	-69.91
CC(C)(F)CCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731214	1	57	0.0	-75.11	422.12	5.93	-69.18
CCC=CC=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731215	1	56	0.0	-73.80	425.67	6.72	-67.08
CN(CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(N)=O	REAL300030731216	1	54	0.0	-84.41	406.62	1.29	-83.12
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3(F)CC3)CC2)CC1	REAL300030731218	1	49	0.0	-72.11	371.08	4.55	-67.56
CC(O)(C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030731219	1	56	0.0	-72.86	407.70	3.12	-69.74
CC1=NC=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)O1	REAL300030731220	1	51	0.0	-77.64	389.84	1.55	-76.09
COC(C)(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731221	1	55	0.0	-81.55	392.71	3.90	-77.65
CC(CC#N)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731222	1	52	0.0	-77.84	392.19	4.70	-73.14
CCC1CC1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731223	1	55	0.0	-74.11	403.84	6.00	-68.11
C[C@@H](C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(C)(C)O	REAL300030731224	1	58	0.0	-76.60	411.18	2.45	-74.15
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O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C34CC(C3)OC4)CC2)CC1	REAL300030731226	1	54	0.0	-76.44	394.93	3.36	-73.08
CC(O)C1CC1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731227	1	56	0.0	-75.68	412.25	4.13	-71.55
C[C@@H]1C[C@@]2(C(=O)N3CCC([NH+]4CCN(C(=O)C5=CC(=O)[N-]O5)CC4)CC3)C[C@@H]12	REAL300030731228	1	56	0.0	-75.55	413.97	6.42	-69.13
O=C(CN1C=NC=N1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731229	1	51	0.0	-86.98	391.55	5.64	-81.34
CC(C[NH+](C)C)C(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731230	0	59	0.0	-71.96	424.77	3.25	-68.71
C=CC(C)(O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731231	1	53	0.0	-73.43	391.86	2.20	-71.23
CCC(C)(CO)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731232	1	58	0.0	-81.00	411.08	1.84	-79.16
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CC=C(F)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731235	1	49	0.0	-72.22	374.24	4.54	-67.68
CCC(C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(C)C	REAL300030731236	1	60	0.0	-74.33	422.84	5.97	-68.36
N#CC1=CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=CO1	REAL300030731237	1	50	0.0	-82.98	393.78	4.51	-78.47
C[C@H](C(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030731238	0	56	0.0	-65.65	404.19	2.59	-63.06
CC(C)C(CO)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731239	1	58	0.0	-80.00	419.96	2.30	-77.70
CCOC=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731240	1	53	0.0	-73.50	402.51	4.16	-69.34
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CCC(C)=C(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731243	1	58	0.0	-75.21	428.59	6.25	-68.96
COC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCC1	REAL300030731244	1	56	0.0	-74.49	409.04	4.25	-70.24
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CC(=O)C=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731253	1	51	0.0	-75.75	392.86	4.41	-71.34
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CC(CO)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731264	1	52	0.0	-75.32	383.60	1.01	-74.31
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CC1(C)CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)O1	REAL300030731272	1	56	0.0	-81.86	415.02	4.66	-77.20
C#CC1=CC=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)O1	REAL300030731273	1	51	0.0	-74.19	401.49	5.61	-68.58
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CC1=CC=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)N1	REAL300030731285	1	53	0.0	-78.72	397.48	4.73	-73.99
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CCC(F)(F)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731292	1	51	0.0	-71.83	386.03	4.65	-67.18
CC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1F	REAL300030731293	1	52	0.0	-75.12	390.52	4.92	-70.20
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O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3(CO)CC3)CC2)CC1	REAL300030731299	1	53	0.0	-78.44	397.58	1.55	-76.89
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O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CCC(=O)N3)CC2)CC1	REAL300030731302	1	53	0.0	-86.62	397.07	1.61	-85.01
C[C@H](O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731303	1	49	0.0	-80.37	360.13	1.21	-79.16
O=C(C1=CC=C(F)O1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731304	1	49	0.0	-72.58	380.15	4.40	-68.18
CON=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731305	1	49	0.0	-80.31	378.36	2.47	-77.84
C#CCC(C)(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731306	1	56	0.0	-76.84	410.22	5.70	-71.14
CC1(F)CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030731307	1	55	0.0	-74.84	410.29	5.75	-69.09
CCC(C)(OC)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731308	1	58	0.0	-73.40	414.07	4.36	-69.04
CC(C)[C@H](O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731309	1	55	0.0	-76.82	399.21	2.96	-73.86
C#CC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030731310	1	51	0.0	-74.97	392.48	5.55	-69.42
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@H]3CCC(=O)O3)CC2)CC1	REAL300030731311	1	52	0.0	-92.86	388.73	4.87	-87.99
C=CC=CCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731312	1	53	0.0	-76.74	404.72	5.80	-70.94
C#CC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCC1	REAL300030731313	1	54	0.0	-74.45	404.99	5.93	-68.52
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731314	0	57	0.0	-71.47	415.05	3.34	-68.13
C[N@H+]1CCC[C@H]1C(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731314	1	57	0.0	-70.22	408.29	3.03	-67.19
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CC=CCO3)CC2)CC1	REAL300030731315	1	54	0.0	-78.58	397.98	4.87	-73.71
CC1(C)C=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030731316	1	56	0.0	-76.57	414.98	6.18	-70.39
C#C[C@H]1C[C@H]1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731317	1	51	0.0	-76.90	389.44	5.74	-71.16
[N-]=[N+]=NC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030731318	1	51	0.0	-74.57	390.46	1.22	-73.35
CCC(CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)OC	REAL300030731319	1	58	0.0	-76.99	425.65	5.19	-71.80
O=C(C1=CSC=N1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731320	1	48	0.0	-71.73	375.95	3.66	-68.07
CC=C(CC)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731321	1	55	0.0	-74.99	393.84	5.18	-69.81
O=C(CC12CC(C1)C2)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731322	1	56	0.0	-74.39	410.40	6.55	-67.84
C#CCC(CC#C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731323	1	55	0.0	-77.80	427.65	6.73	-71.07
CCC(C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(C)O	REAL300030731324	1	58	0.0	-78.52	415.63	3.18	-75.34
COC(F)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731325	1	49	0.0	-80.09	374.02	2.73	-77.36
N#CC(=CC1CC1)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731326	1	54	0.0	-71.43	415.81	5.86	-65.57
N#CC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCC1	REAL300030731327	1	53	0.0	-76.40	398.69	4.86	-71.54
O=C(C=C1CCCC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731328	1	56	0.0	-74.52	410.38	6.54	-67.98
CC(C)(C#N)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731329	1	55	0.0	-76.58	409.09	5.34	-71.24
COCC(O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731330	1	53	0.0	-76.90	396.98	0.76	-76.14
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@@H]3CC3(F)F)CC2)CC1	REAL300030731331	1	49	0.0	-80.02	378.39	4.91	-75.11
N#C[C@@H]1C[C@H]1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731332	1	50	0.0	-78.95	384.26	4.76	-74.19
C=C(C)CCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731333	1	58	0.0	-76.56	434.06	6.62	-69.94
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@H]3C[C@@H](O)C3)CC2)CC1	REAL300030731334	1	53	0.0	-80.28	393.65	1.64	-78.64
CC1(C)CC1CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731335	1	58	0.0	-76.34	427.59	6.52	-69.82
O=C(C1=C(Cl)CC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731336	1	50	0.0	-78.87	390.37	5.60	-73.27
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@]34C[C@H]3[C@H](F)C4)CC2)CC1	REAL300030731337	1	53	0.0	-83.78	396.83	5.62	-78.16
O=C(C1=CNC(=O)O1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731338	1	49	0.0	-76.78	378.35	1.41	-75.37
CC(C)[C@@H]1C[C@H]1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731339	1	58	0.0	-74.04	428.41	6.57	-67.47
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C(F)(F)C3CC3)CC2)CC1	REAL300030731340	1	52	0.0	-72.50	395.42	5.40	-67.10
O=C(COCCO)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731341	1	53	0.0	-82.82	402.56	1.04	-81.78
CC(C)(CF)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731342	1	54	0.0	-76.74	391.75	4.72	-72.02
CC(C)[C@@H](O)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731343	1	58	0.0	-79.35	425.43	3.49	-75.86
CC(C)(CO)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731344	1	55	0.0	-77.04	396.10	1.45	-75.59
C=CCC(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731345	1	55	0.0	-75.55	404.82	5.44	-70.11
CC1CCCC1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731346	1	58	0.0	-74.85	410.93	6.32	-68.53
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@@H]3CC[C@@H]4C[C@@H]43)CC2)CC1	REAL300030731347	1	56	0.0	-75.34	404.11	6.38	-68.96
CC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC(F)C1	REAL300030731348	1	55	0.0	-76.28	402.73	5.34	-70.94
C[C@@H]1C[C@H]1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731349	1	52	0.0	-75.60	387.69	5.24	-70.36
CC(C)(O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731350	1	52	0.0	-73.38	382.10	1.43	-71.95
CSC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030731351	1	53	0.0	-71.97	409.63	5.51	-66.46
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=NOCC3)CC2)CC1	REAL300030731352	1	50	0.0	-73.14	378.12	3.06	-70.08
CC(C#N)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731353	1	52	0.0	-77.68	394.15	4.88	-72.80
C[N@H+](CC(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030731354	0	57	0.0	-66.41	417.05	3.68	-62.73
C[N@@H+](CC(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1CC1	REAL300030731354	1	57	0.0	-66.01	416.87	3.56	-62.45
O=C(CCOC1CC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731355	1	56	0.0	-74.31	422.50	4.65	-69.66
O=C(CCCCCO)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731356	1	58	0.0	-79.17	432.53	2.81	-76.36
CC(CCO)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731357	1	55	0.0	-78.58	403.46	1.53	-77.05
O=C(C(F)=CC1CC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731358	1	53	0.0	-71.32	404.17	6.06	-65.26
O=C(CC1CC(F)C1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731359	1	55	0.0	-76.17	411.10	6.00	-70.17
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@H](O)CF)CC2)CC1	REAL300030731360	1	49	0.0	-77.67	370.74	1.73	-75.94
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3(CCO)CC3)CC2)CC1	REAL300030731361	1	56	0.0	-74.59	417.87	2.25	-72.34
CC(C)C(C)(O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731362	1	58	0.0	-72.21	410.57	2.45	-69.76
N#CC1=CC=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)O1	REAL300030731363	1	50	0.0	-74.95	395.02	4.84	-70.11
O=C(CC1=CC=CC=N1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731364	1	54	0.0	-79.81	410.00	5.23	-74.58
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3(O)CCC3)CC2)CC1	REAL300030731365	1	53	0.0	-74.33	390.83	2.00	-72.33
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C(O)C3CC3)CC2)CC1	REAL300030731366	1	53	0.0	-77.67	390.26	3.15	-74.52
O=C(CN1C=NN=C1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731367	1	51	0.0	-91.33	392.11	6.55	-84.78
C=C(C)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731368	1	52	0.0	-76.01	391.08	5.03	-70.98
CC(C)(C#N)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731369	1	52	0.0	-87.98	386.49	4.21	-83.77
CCSCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731370	1	52	0.0	-78.74	401.14	5.20	-73.54
CC(=O)OCCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731371	1	54	0.0	-82.31	413.58	4.81	-77.50
CC(C)=C(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731372	1	55	0.0	-75.21	405.07	5.58	-69.63
CC1(CCC(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)N=N1	REAL300030731373	1	54	0.0	-72.53	410.29	0.46	-72.07
O=C(COC1COC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731375	1	54	0.0	-81.78	408.61	2.81	-78.97
C[C@@H]1C[C@]2(C(=O)N3CCC([NH+]4CCN(C(=O)C5=CC(=O)[N-]O5)CC4)CC3)C[C@H]12	REAL300030731376	1	56	0.0	-76.80	412.82	6.39	-70.41
CNC(=O)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731377	1	52	0.0	-88.19	392.65	2.86	-85.33
CC(=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(F)F	REAL300030731378	1	52	0.0	-78.74	398.45	5.52	-73.22
CN1C=NN=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731379	1	51	0.0	-74.19	385.22	5.46	-68.73
C[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731380	1	56	0.0	-78.41	407.44	3.75	-74.66
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CC(F)C3)CC2)CC1	REAL300030731381	1	52	0.0	-74.84	389.02	5.15	-69.69
CCC(O)C(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731382	1	58	0.0	-78.20	421.21	3.38	-74.82
O=C(CC1CC(=O)N1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731383	1	53	0.0	-83.74	401.81	0.89	-82.85
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C(O)C3CCC3)CC2)CC1	REAL300030731384	1	56	0.0	-76.85	406.67	3.83	-73.02
C[NH+]1CC(CC(=O)N2CCC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030731385	0	57	0.0	-70.76	418.77	3.02	-67.74
CC1(O)CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030731386	1	56	0.0	-77.21	414.29	2.27	-74.94
C=CCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731387	1	49	0.0	-76.17	369.47	4.38	-71.79
C[NH+](C)CC(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731388	0	53	0.0	-68.62	387.49	2.15	-66.47
NC1=CC=CC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030731389	1	54	0.0	-76.30	405.98	3.74	-72.56
N#CCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731390	1	46	0.0	-88.14	356.07	3.52	-84.62
NC1=CC=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C=C1	REAL300030731391	1	54	0.0	-76.35	405.90	3.74	-72.61
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CC3F)CC2)CC1	REAL300030731392	1	49	0.0	-75.51	373.10	4.66	-70.85
C[C@@H](C(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)[NH+](C)C	REAL300030731393	0	56	0.0	-68.55	404.87	2.60	-65.95
O=C(CCF)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731394	1	48	0.0	-74.76	363.52	4.13	-70.63
O=C(C1=CC(F)=NN1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731395	1	49	0.0	-78.55	378.68	2.57	-75.98
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3C=CCC3)CC2)CC1	REAL300030731396	1	53	0.0	-74.10	388.70	5.43	-68.67
CCC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)COC1	REAL300030731397	1	56	0.0	-77.93	406.60	3.13	-74.80
C#CC(C)(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731398	1	53	0.0	-80.98	392.92	5.08	-75.90
COC(C)C(O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731399	1	56	0.0	-73.73	414.16	1.71	-72.02
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)CC1	REAL300030731400	1	52	0.0	-90.82	388.59	-0.97	-91.79
CCSC(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731401	1	55	0.0	-76.96	417.86	5.65	-71.31
C[NH+](C)CC=CC(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731403	0	57	0.0	-74.76	423.61	3.41	-71.35
O=C(C1=CCSC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731404	1	51	0.0	-78.25	392.28	5.26	-72.99
CO[C@H](C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731405	1	52	0.0	-80.26	384.66	3.69	-76.57
CC(=O)CCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731406	1	53	0.0	-74.65	401.31	4.52	-70.13
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CCCC3O)CC2)CC1	REAL300030731407	1	56	0.0	-75.83	408.60	2.44	-73.39
C[C@@H](O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731408	1	49	0.0	-78.47	362.93	1.45	-77.02
CC[NH+](CC)CC(=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731409	0	59	0.0	-66.57	423.77	3.62	-62.95
CC1=CC=NC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300030731410	1	54	0.0	-73.24	408.67	5.65	-67.59
CC(C)C(O)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731412	1	58	0.0	-78.95	422.84	3.69	-75.26
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3COC(=O)C3)CC2)CC1	REAL300030731413	1	52	0.0	-84.90	388.99	4.05	-80.85
CC(O)C(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731414	1	55	0.0	-75.67	400.71	2.59	-73.08
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3(O)CCOC3)CC2)CC1	REAL300030731415	1	54	0.0	-79.65	392.61	0.10	-79.55
CCC(C)(C#N)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731416	1	55	0.0	-72.16	405.26	4.64	-67.52
C=C1CC1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731417	1	50	0.0	-75.96	380.14	5.13	-70.83
O=C(CC1CC=CC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731418	1	56	0.0	-75.95	412.33	6.38	-69.57
O=C(CC1OCCO1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731419	1	54	0.0	-77.61	403.72	3.29	-74.32
COC(OC)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731420	1	53	0.0	-79.35	392.51	3.14	-76.21
N#CC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC=CC1	REAL300030731421	1	54	0.0	-77.64	405.06	5.27	-72.37
O=C(CCC[N+](=O)[O-])N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731422	1	53	0.0	-84.55	407.21	5.00	-79.55
N#CC1(CC(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030731423	1	53	0.0	-83.42	404.61	5.47	-77.95
COC(=O)CCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731424	1	54	0.0	-75.54	412.07	4.63	-70.91
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=CCCOC3)CC2)CC1	REAL300030731425	1	54	0.0	-74.40	403.59	3.81	-70.59
CC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1(F)F	REAL300030731426	1	52	0.0	-81.36	395.29	5.04	-76.32
CC(C)(C)C(O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731427	1	58	0.0	-75.86	411.68	3.66	-72.20
CC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)COC1	REAL300030731428	1	53	0.0	-76.50	388.02	2.58	-73.92
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=CCCCO3)CC2)CC1	REAL300030731429	1	54	0.0	-72.32	398.46	4.62	-67.70
CC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCCO1	REAL300030731430	1	56	0.0	-73.59	404.67	4.22	-69.37
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CC(=O)N3)CC2)CC1	REAL300030731431	1	50	0.0	-87.42	380.84	0.43	-86.99
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@@H]3CC(=O)N3)CC2)CC1	REAL300030731432	1	50	0.0	-87.64	381.27	0.57	-87.07
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3=CCCCC3)CC2)CC1	REAL300030731433	1	56	0.0	-74.12	412.52	6.19	-67.93
CCC[C@H](O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731434	1	55	0.0	-77.11	405.18	3.04	-74.07
CC1CC(C)(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C1	REAL300030731435	1	58	0.0	-76.40	411.33	5.76	-70.64
NC1=CC=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C=C1	REAL300030731437	1	54	0.0	-76.35	405.90	3.74	-72.61
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@H]3CC3(F)F)CC2)CC1	REAL300030731438	1	49	0.0	-80.62	378.22	4.91	-75.71
O=C(CC1=CNN=C1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731439	1	52	0.0	-79.72	396.79	3.45	-76.27
CC1=CC=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)N=C1	REAL300030731440	1	54	0.0	-72.89	408.62	5.62	-67.27
CC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC(=O)C1	REAL300030731441	1	54	0.0	-79.34	399.21	4.35	-74.99
O=C(CC1=CNC=C1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731442	1	53	0.0	-78.27	401.28	4.72	-73.55
CCCC(C)(O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731443	1	58	0.0	-73.26	420.22	2.84	-70.42
CCOC(C)(C)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731444	1	58	0.0	-81.40	414.56	4.84	-76.56
O=C(CC1CC(=O)C1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731445	1	54	0.0	-82.94	407.07	4.99	-77.95
O=C(CC1CSC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731446	1	53	0.0	-81.04	404.25	5.52	-75.52
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3(F)CCC3)CC2)CC1	REAL300030731447	1	52	0.0	-72.23	386.74	5.06	-67.17
O=C(C1=CNC=N1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731448	1	49	0.0	-73.13	372.17	4.33	-68.80
CC1=NOC(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=N1	REAL300030731449	1	50	0.0	-78.82	384.98	1.57	-77.25
CCOC(=O)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731450	1	54	0.0	-84.40	410.37	5.71	-78.69
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CC(=O)C3)CC2)CC1	REAL300030731451	1	51	0.0	-79.33	385.20	4.13	-75.20
O=C(CN1C=CN=N1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731452	1	51	0.0	-89.75	390.64	2.92	-86.83
C=CC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCC1	REAL300030731453	1	56	0.0	-74.31	405.38	6.11	-68.20
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3(O)COC3)CC2)CC1	REAL300030731454	1	51	0.0	-75.51	381.71	-0.17	-75.68
CCC(C)C(O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731455	1	58	0.0	-76.75	417.63	3.60	-73.15
CC(C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)=C1CC1	REAL300030731456	1	53	0.0	-75.37	403.49	5.88	-69.49
CC1=CC1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731457	1	50	0.0	-75.68	381.17	5.27	-70.41
CN(C)C(=O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731458	1	52	0.0	-81.53	394.62	2.49	-79.04
CC(=O)C1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030731459	1	54	0.0	-73.31	409.44	4.90	-68.41
CCCC(O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731460	1	55	0.0	-75.63	405.58	3.04	-72.59
CCCCC(O)C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731461	1	58	0.0	-77.14	426.68	3.82	-73.32
COC(C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(C)O	REAL300030731462	1	56	0.0	-78.98	410.73	1.42	-77.56
O=C(CSC1CC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731463	1	53	0.0	-78.41	411.70	6.05	-72.36
CCC(O)CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731464	1	55	0.0	-79.23	408.78	2.97	-76.26
N#CC1=CNN=C1C(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731465	1	50	0.0	-82.30	392.46	3.43	-78.87
CNC(=O)CCC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731466	1	55	0.0	-76.04	416.22	2.15	-73.89
O=C(CCCCF)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731467	1	54	0.0	-76.52	406.20	5.51	-71.01
O=C(C1=CSN=C1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731468	1	48	0.0	-79.31	375.04	3.61	-75.70
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CCC(=O)C3)CC2)CC1	REAL300030731469	1	54	0.0	-79.89	402.67	4.84	-75.05
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)[C@H]3CC(=O)N3)CC2)CC1	REAL300030731470	1	50	0.0	-87.92	378.10	0.31	-87.61
O=C(CN1C=NC=N1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731471	1	51	0.0	-86.98	391.55	5.64	-81.34
COC1(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CC1	REAL300030731472	1	53	0.0	-72.61	398.88	3.55	-69.06
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CSC3)CC2)CC1	REAL300030731473	1	50	0.0	-77.94	382.16	4.70	-73.24
NC1=NC=C(C(=O)N2CCC([NH+]3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)O1	REAL300030731474	1	50	0.0	-76.11	383.56	-0.91	-77.02
O=C(CC1(CO)CC1)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731475	1	56	0.0	-74.74	418.39	2.62	-72.12
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3CCC=CO3)CC2)CC1	REAL300030731476	1	54	0.0	-78.67	397.84	5.26	-73.41
O=C(C1=CC(=O)[N-]O1)N1CC[NH+](C2CCN(C(=O)C3(O)CCCC3)CC2)CC1	REAL300030731477	1	56	0.0	-77.38	401.47	2.68	-74.70
C=CC(=O)N1CCC([NH+]2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731478	1	46	0.0	-75.50	347.75	3.66	-71.84
CCC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)COC1	REAL300030731479	1	56	0.0	-82.78	406.41	3.08	-79.70
CC1(C(=O)N2CC[NH+](C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)CCCO1	REAL300030731480	1	56	0.0	-74.21	406.38	4.24	-69.97
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CC(=O)N3)CC2)CC1	REAL300030731481	1	50	0.0	-91.92	381.18	0.43	-91.49
C[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731482	1	56	0.0	-81.63	406.43	3.81	-77.82
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C3CC(F)C3)CC2)CC1	REAL300030731483	1	52	0.0	-81.49	389.28	5.24	-76.25
CCC(O)C(C)C(=O)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731484	1	58	0.0	-79.80	421.00	3.96	-75.84
O=C(CC1CC(=O)N1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731485	0	53	0.0	-86.79	401.49	0.73	-86.06
O=C(C1=CC(=O)[N-]O1)N1CCC([NH+]2CCN(C(=O)C(O)C3CCC3)CC2)CC1	REAL300030731486	1	56	0.0	-80.31	408.05	3.89	-76.42
O=C(C1=CC=NO1)N1CC[NH+](C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731487	1	48	0.0	-77.25	367.61	3.34	-73.91
C[N@@H+]1CCCC1C(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030731643	0	57	0.0	-49.02	411.54	5.04	-43.98
C[N@H+]1CCCC1C(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030731643	1	57	0.0	-65.73	406.85	4.91	-60.82
C[N@@H+]1CCOC(C(=O)NCC2(C(C)(C)C)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030731667	1	58	0.0	-52.57	415.33	4.61	-47.96
C[N@H+]1CCOC(C(=O)NCC2(C(C)(C)C)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030731667	1	58	0.0	-55.57	416.11	4.38	-51.19
CC1=[NH+]C=CN1CC(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030731807	1	55	0.0	-51.05	415.26	5.68	-45.37
C[C@@H]1[C@H](C(=O)NCC2(C(C)(C)C)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030731827	0	60	0.0	-49.84	421.88	5.39	-44.45
C[C@@H]1[C@H](C(=O)NCC2(C(C)(C)C)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030731827	1	60	0.0	-47.31	428.05	5.44	-41.87
C[NH+](C)C1(C(=O)NCC2(C(C)(C)C)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300030731848	0	60	0.0	-52.97	419.99	5.79	-47.18
CC(C)[C@@H](C(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030731850	0	62	0.0	-69.96	431.11	6.16	-63.80
C[N@H+](CC(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030731861	0	60	0.0	-46.95	431.76	6.32	-40.63
C[N@@H+](CC(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030731861	1	60	0.0	-48.66	432.06	6.06	-42.60
C[NH+]1CCC(C(=O)NCC2(C(C)(C)C)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030731888	0	60	0.0	-53.67	430.41	5.72	-47.95
C[N@@H+]1CCCCC1C(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030731895	0	60	0.0	-68.45	415.77	5.41	-63.04
C[N@H+]1CCCCC1C(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030731895	1	60	0.0	-44.36	427.17	5.77	-38.59
CC1=C[NH+]=CN1CC(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030731913	1	55	0.0	-69.76	412.01	6.26	-63.50
C[N@@H+]1CCC(CC(=O)NCC2(C(C)(C)C)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030731923	0	60	0.0	-73.03	429.87	5.51	-67.52
C[N@H+]1CCC(CC(=O)NCC2(C(C)(C)C)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030731923	1	60	0.0	-71.65	429.45	5.57	-66.08
CCC(C(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030731926	0	59	0.0	-69.17	416.12	5.08	-64.09
C[NH+](C)CCCCC(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030731941	0	62	0.0	-72.07	448.65	6.10	-65.97
CC(C)C(C(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030731946	0	62	0.0	-65.54	427.36	5.60	-59.94
CCC[N@H+](C)CCC(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030731947	0	62	0.0	-71.28	444.89	5.90	-65.38
CCC[N@@H+](C)CCC(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030731947	1	62	0.0	-71.08	444.89	5.90	-65.18
CCC[N@H+](C)CC(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030731948	0	59	0.0	-50.03	425.06	5.49	-44.54
CCC[N@@H+](C)CC(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030731948	1	59	0.0	-69.20	422.52	5.36	-63.84
C[N@@H+]1CCC[C@@H]1C(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030731963	0	57	0.0	-70.54	403.19	4.47	-66.07
C[N@H+]1CCC[C@@H]1C(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030731963	1	57	0.0	-67.00	409.50	5.05	-61.95
CC[NH+](CC)CC(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030731975	0	59	0.0	-67.76	414.76	4.99	-62.77
C[NH+](C)CC1(C(=O)NCC2(C(C)(C)C)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030732030	0	60	0.0	-56.24	418.89	5.75	-50.49
C[NH+]1CCC(C(=O)NCC2(C(C)(C)C)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030732056	0	60	0.0	-53.67	430.41	5.72	-47.95
CC(C)[C@H](C(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030732071	0	62	0.0	-64.88	427.74	5.44	-59.44
CC[N@H+](C)CCC(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732106	0	59	0.0	-70.53	423.39	5.16	-65.37
CC[N@@H+](C)CCC(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732106	1	59	0.0	-70.41	423.39	5.17	-65.24
CC1CCC[N@@H+]1CC(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732117	0	60	0.0	-42.17	431.26	5.85	-36.32
CC1CCC[N@H+]1CC(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732117	1	60	0.0	-66.54	428.66	5.74	-60.80
CC1CC[N@H+](CC(=O)NCC2(C(C)(C)C)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030732118	0	60	0.0	-48.58	431.94	5.81	-42.77
CC1CC[N@@H+](CC(=O)NCC2(C(C)(C)C)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030732118	1	60	0.0	-68.40	428.67	5.70	-62.70
CC[C@@H](C(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030732121	0	59	0.0	-67.22	413.54	4.93	-62.29
C[NH+](C)CC(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732160	0	53	0.0	-69.54	383.31	3.95	-65.59
CN1C=C[N+](CC(=O)NCC2(C(C)(C)C)CCN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030732161	0	55	0.0	-65.95	414.53	7.47	-58.48
C[N@@H+]1CCCC(C(=O)NCC2(C(C)(C)C)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030732164	0	60	0.0	-49.37	423.57	6.01	-43.36
C[N@H+]1CCCC(C(=O)NCC2(C(C)(C)C)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030732164	1	60	0.0	-50.02	423.63	6.01	-44.01
CC(C(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030732172	1	57	0.0	-67.41	411.61	4.99	-62.42
C[NH+](C)CC(C)(C)C(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732175	0	62	0.0	-69.42	428.95	5.52	-63.90
C[N@H+](CC(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030732182	0	57	0.0	-66.59	412.70	5.35	-61.24
C[N@@H+](CC(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030732182	1	57	0.0	-67.01	412.71	5.36	-61.65
C[NH+]1CC(CC(=O)NCC2(C(C)(C)C)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030732193	0	57	0.0	-71.54	414.73	4.78	-66.76
C[C@@H](C(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030732206	0	56	0.0	-49.22	403.96	4.47	-44.75
C[N@H+](CCO)CCC(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732246	0	60	0.0	-69.87	433.75	1.95	-67.92
C[N@@H+](CCO)CCC(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732246	1	60	0.0	-70.69	433.82	1.90	-68.79
C[C@@H](C(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030732247	0	56	0.0	-49.22	403.96	4.47	-44.75
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732250	0	60	0.0	-65.99	414.17	5.40	-60.59
C[N@H+]1CCCC[C@@H]1C(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732250	1	60	0.0	-48.12	427.72	5.92	-42.20
C[N@@H+]1CCC(=CC(=O)NCC2(C(C)(C)C)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030732287	0	58	0.0	-73.42	421.05	5.55	-67.87
C[N@H+]1CCC(=CC(=O)NCC2(C(C)(C)C)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030732287	1	58	0.0	-72.66	422.14	5.50	-67.16
C[NH+](C)CCOCC(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732297	0	60	0.0	-68.62	439.17	5.01	-63.61
C[C@H](C(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030732308	0	56	0.0	-66.54	401.28	4.42	-62.12
CC1C[NH+](CC(=O)NCC2(C(C)(C)C)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030732325	1	57	0.0	-49.46	415.93	5.24	-44.22
C[N@H+](CCO)CC(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732338	1	57	0.0	-70.35	411.38	1.39	-68.96
C[N@@H+](CCO)CC(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732338	1	57	0.0	-49.98	413.69	1.51	-48.47
CC(CC(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030732350	0	62	0.0	-70.76	440.49	5.96	-64.80
CC[N@H+](C)CC(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732352	0	56	0.0	-49.79	403.56	4.74	-45.05
CC[N@@H+](C)CC(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732352	1	56	0.0	-68.83	401.03	4.62	-64.21
CC[N@H+](CC(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030732362	0	60	0.0	-67.26	424.40	5.52	-61.74
CC[N@@H+](CC(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030732362	1	60	0.0	-66.37	429.72	5.90	-60.47
CC[NH+](CC)CCC(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732368	0	62	0.0	-69.71	440.68	5.86	-63.85
C[NH+](C)CC=CC(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732384	0	57	0.0	-74.12	419.26	5.17	-68.95
COCC[N@H+](C)CC(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732393	1	60	0.0	-50.09	435.94	3.90	-46.19
COCC[N@@H+](C)CC(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732393	1	60	0.0	-70.43	433.63	3.79	-66.64
CC(CCC(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030732403	0	62	0.0	-71.31	436.92	5.67	-65.64
CC[N@@H+]1CCC1C(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732408	1	57	0.0	-47.98	408.20	4.89	-43.09
CC[N@H+]1CCC1C(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732408	1	57	0.0	-48.66	417.48	5.11	-43.55
C=CCC(C(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030732433	0	60	0.0	-66.39	426.59	5.46	-60.93
CC(C)(C)C1(CNC(=O)C[NH+]2CC3CC3C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732441	0	58	0.0	-48.83	421.15	5.95	-42.88
CCCC(C(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030732450	0	62	0.0	-70.52	438.42	5.90	-64.62
C[NH+](C)C(C)(C)C(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732452	0	59	0.0	-48.74	409.90	5.03	-43.71
C[N@@H+]1CCCCC1C(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732463	0	60	0.0	-68.45	415.77	5.41	-63.04
C[N@H+]1CCCCC1C(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732463	1	60	0.0	-44.36	427.17	5.77	-38.59
C[NH+](C)C1(C(=O)NCC2(C(C)(C)C)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030732501	0	57	0.0	-49.30	412.34	5.35	-43.95
CC(C)(C)C1(CNC(=O)CC[NH+]2CCCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732502	0	60	0.0	-70.21	430.01	5.57	-64.64
C[N@@H+]1CC2CC1(C(=O)NCC1(C(C)(C)C)CCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030732513	0	58	0.0	-35.97	413.92	5.40	-30.57
C[N@H+]1CC2CC1(C(=O)NCC1(C(C)(C)C)CCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030732513	1	58	0.0	-76.94	409.04	5.19	-71.75
CC(C[NH+](C)C)C(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732549	0	59	0.0	-69.98	420.30	5.17	-64.81
CC(C(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300030732572	1	60	0.0	-66.79	432.05	5.61	-61.18
CC1CC[N@@H+]1CC(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732573	1	57	0.0	-43.98	410.96	5.04	-38.94
CC1CC[N@H+]1CC(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732573	1	57	0.0	-46.13	417.16	5.44	-40.69
C[NH+](C)CC(O)CC(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732575	0	60	0.0	-73.80	436.00	2.95	-70.85
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2(C(C)(C)C)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030732605	0	60	0.0	-49.85	434.70	5.94	-43.91
CC(CC[NH+](C)C)C(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732606	0	62	0.0	-71.41	443.34	5.84	-65.57
CC(C)(C)C1(CNC(=O)CSC(N)=[NH2+])CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732627	0	51	0.0	-70.36	391.83	0.83	-69.53
CCC1C[NH+](CC(=O)NCC2(C(C)(C)C)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030732689	1	60	0.0	-69.97	435.62	5.80	-64.17
C[N@@H+]1CCC[C@H]1C(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732693	0	57	0.0	-45.67	409.62	5.19	-40.48
C[N@H+]1CCC[C@H]1C(=O)NCC1(C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732693	1	57	0.0	-43.03	405.22	4.75	-38.28
CC(C)(C)C1(CNC(=O)C[NH+]2CCCCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732700	0	60	0.0	-48.49	427.55	5.94	-42.55
CC1C(C(=O)NCC2(C(C)(C)C)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030732704	0	60	0.0	-46.51	428.83	5.61	-40.90
CC1C(C(=O)NCC2(C(C)(C)C)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030732704	1	60	0.0	-58.10	421.95	4.99	-53.11
C[N@@H+]1CCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030732884	0	57	0.0	-67.92	408.60	4.90	-63.02
C[N@H+]1CCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030732884	1	57	0.0	-41.25	399.97	5.02	-36.23
C[N@@H+]1CCOC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)C)C2)C1	REAL300030732910	1	58	0.0	-83.79	419.46	4.20	-79.59
C[N@H+]1CCOC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)C)C2)C1	REAL300030732910	1	58	0.0	-71.47	411.58	4.14	-67.33
C[N@@H+]1CCC(CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)C)C2)C1	REAL300030733061	0	60	0.0	-66.40	435.71	5.87	-60.53
C[N@H+]1CCC(CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)C)C2)C1	REAL300030733061	1	60	0.0	-68.67	433.75	5.87	-62.80
CCC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1)[NH+](C)C	REAL300030733064	0	59	0.0	-67.01	418.45	5.17	-61.84
C[NH+](C)CCCCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030733075	0	62	0.0	-59.14	453.40	6.64	-52.50
CC(C)C(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1)[NH+](C)C	REAL300030733081	0	62	0.0	-44.21	427.82	5.64	-38.57
CCC[N@H+](C)CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030733082	0	62	0.0	-54.32	449.74	6.46	-47.86
CCC[N@@H+](C)CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030733082	1	62	0.0	-54.93	449.69	6.47	-48.46
CCC[N@H+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030733083	0	59	0.0	-51.90	421.75	5.91	-45.99
CCC[N@@H+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030733083	1	59	0.0	-51.87	423.58	6.05	-45.82
C[NH+](C)CC1(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)C)C2)CC1	REAL300030733122	0	60	0.0	-47.03	431.47	5.55	-41.48
CC[N@H+](C)CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030733129	0	59	0.0	-53.76	428.09	5.73	-48.03
CC[N@@H+](C)CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030733129	1	59	0.0	-54.26	428.14	5.70	-48.56
C[NH+]1CCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)C)C2)CC1	REAL300030733155	0	60	0.0	-69.58	429.42	5.73	-63.85
CC(C)[C@H](C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1)[NH+](C)C	REAL300030733170	0	62	0.0	-51.94	420.17	5.88	-46.06
C[NH+](C)C1(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)C)C2)CCC1	REAL300030733198	0	60	0.0	-64.54	413.88	4.88	-59.66
CC1CCC[N@@H+]1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030733223	0	60	0.0	-67.60	424.78	5.53	-62.07
CC1CCC[N@H+]1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030733223	1	60	0.0	-49.61	428.47	6.31	-43.30
CC(C)[C@@H](C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1)[NH+](C)C	REAL300030733237	0	62	0.0	-73.51	429.70	5.81	-67.70
CC1CC[N@H+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)C)C2)C1	REAL300030733245	0	60	0.0	-70.05	431.71	5.68	-64.37
CC1CC[N@@H+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)C)C2)C1	REAL300030733245	1	60	0.0	-56.07	435.10	5.92	-50.15
CC[C@@H](C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1)[NH+](C)C	REAL300030733248	0	59	0.0	-56.86	411.00	4.92	-51.94
CC1=[NH+]C=CN1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030733290	1	55	0.0	-58.29	416.71	5.82	-52.47
CC1=C[NH+]=CN1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030733309	1	55	0.0	-42.65	408.09	7.01	-35.64
C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)C)C2)CC[N@@H+]1C	REAL300030733310	0	60	0.0	-67.10	425.07	5.61	-61.49
C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)C)C2)CC[N@H+]1C	REAL300030733310	1	60	0.0	-60.20	429.93	5.66	-54.54
C[N@H+](CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1)C1CCC1	REAL300030733343	0	60	0.0	-51.89	426.45	6.64	-45.25
C[N@@H+](CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1)C1CCC1	REAL300030733343	1	60	0.0	-49.47	430.52	6.60	-42.87
C[NH+]1CCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)C)C2)CC1	REAL300030733350	0	60	0.0	-69.58	429.42	5.73	-63.85
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030733363	0	57	0.0	-68.45	404.79	4.55	-63.90
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030733363	1	57	0.0	-69.18	409.83	5.04	-64.14
C[N@@H+]1CCCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030733407	0	60	0.0	-70.55	414.77	5.18	-65.37
C[N@H+]1CCCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030733407	1	60	0.0	-49.02	423.05	5.62	-43.40
CC1C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)C)C2)CC[N@@H+]1C	REAL300030733436	0	60	0.0	-60.41	426.79	5.94	-54.47
CC1C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)C)C2)CC[N@H+]1C	REAL300030733436	1	60	0.0	-70.48	432.75	5.48	-65.00
C[C@@H](C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1)[NH+](C)C	REAL300030733478	0	56	0.0	-60.87	401.07	4.37	-56.50
CC(C)(C)C1(CNC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC[NH+]2CCCC2)C1	REAL300030733496	0	60	0.0	-56.62	432.33	6.37	-50.25
C[N@H+](CCO)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030733501	1	57	0.0	-50.07	412.43	2.06	-48.01
C[N@@H+](CCO)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030733501	1	57	0.0	-55.41	407.90	2.21	-53.20
CC1C[NH+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)C)C2)C1	REAL300030733552	1	57	0.0	-71.52	417.41	5.19	-66.33
CC[N@H+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030733587	0	56	0.0	-50.28	404.00	4.89	-45.39
CC[N@@H+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030733587	1	56	0.0	-51.63	402.09	5.29	-46.34
COCC[N@H+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030733640	1	60	0.0	-55.69	430.72	4.64	-51.05
COCC[N@@H+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030733640	1	60	0.0	-49.77	434.68	4.45	-45.32
CC(CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1)[NH+](C)C	REAL300030733642	0	62	0.0	-53.28	445.51	6.18	-47.10
CC[N@H+](CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1)C1CC1	REAL300030733647	0	60	0.0	-50.55	433.20	6.81	-43.74
CC[N@@H+](CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1)C1CC1	REAL300030733647	1	60	0.0	-50.95	433.72	6.58	-44.37
C[N@@H+]1CC2CC1(C(=O)N1CCC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)C)C1)C2	REAL300030733660	0	58	0.0	-77.64	415.37	5.31	-72.33
C[N@H+]1CC2CC1(C(=O)N1CCC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)C)C1)C2	REAL300030733660	1	58	0.0	-52.77	400.30	5.00	-47.77
CC(C[NH+](C)C)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030733669	0	59	0.0	-64.72	424.13	5.48	-59.24
C[NH+](C)C1(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)C)C2)CC1	REAL300030733675	0	57	0.0	-51.63	396.17	4.57	-47.06
C[C@H](C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1)[NH+](C)C	REAL300030733686	0	56	0.0	-68.04	402.67	4.31	-63.73
CC[N@@H+]1CCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030733689	1	57	0.0	-54.69	405.80	4.66	-50.03
CC[N@H+]1CCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030733689	1	57	0.0	-69.99	419.08	5.07	-64.92
CC(C)(C)C1(CNC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=C[NH+]=CC=C2N)C1	REAL300030733705	0	53	0.0	-72.62	393.96	1.94	-70.68
CCCC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1)[NH+](C)C	REAL300030733709	0	62	0.0	-68.16	442.28	5.97	-62.19
C[NH+](C)C(C)(C)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030733712	0	59	0.0	-65.00	407.61	4.69	-60.31
CC(CC[NH+](C)C)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030733721	0	62	0.0	-46.59	446.33	6.12	-40.47
CC(C)(C)C1(CNC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300030733784	0	58	0.0	-53.28	418.58	6.46	-46.82
C[N@@H+]1CCCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030733795	0	60	0.0	-70.55	414.77	5.18	-65.37
C[N@H+]1CCCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030733795	1	60	0.0	-49.02	423.05	5.62	-43.40
C[N@@H+]1CCC(=CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)C)C2)C1	REAL300030733823	0	58	0.0	-76.52	424.19	5.62	-70.90
C[N@H+]1CCC(=CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)C)C2)C1	REAL300030733823	1	58	0.0	-76.46	424.03	5.68	-70.78
CCC1C[NH+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)C)C2)C1	REAL300030733847	0	60	0.0	-58.21	441.73	6.07	-52.14
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030733852	0	57	0.0	-48.65	407.27	5.52	-43.13
C[N@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030733852	1	57	0.0	-52.87	393.97	4.49	-48.38
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)C)C2)C1	REAL300030733896	0	60	0.0	-54.05	435.51	5.64	-48.41
C[NH+](C)CCOCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030733914	0	60	0.0	-50.86	443.79	5.54	-45.32
CC(C)(C)C1(CNC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+]2CCCCC2)C1	REAL300030733949	0	60	0.0	-51.09	429.78	6.34	-44.75
C[N@@H+]1CCCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)C)C2)C1	REAL300030733950	0	60	0.0	-58.68	429.68	5.52	-53.16
C[N@H+]1CCCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)C)C2)C1	REAL300030733950	1	60	0.0	-47.57	422.86	5.60	-41.97
CN1C=C[N+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)C)C2)=C1	REAL300030733951	0	55	0.0	-47.93	417.75	8.10	-39.83
C[N@H+](CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1)C1CC1	REAL300030733961	0	57	0.0	-49.11	417.15	5.83	-43.28
C[N@@H+](CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1)C1CC1	REAL300030733961	1	57	0.0	-49.39	413.74	6.05	-43.34
CC(CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1)C[NH+](C)C	REAL300030733969	0	62	0.0	-55.19	445.17	6.50	-48.69
C[NH+]1CC(CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)C)C2)C1	REAL300030734020	0	57	0.0	-58.33	419.16	5.26	-53.07
C[NH+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030734027	0	53	0.0	-52.62	387.88	4.43	-48.19
C[N@H+](CCO)CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030734037	0	60	0.0	-57.55	438.55	2.50	-55.05
C[N@@H+](CCO)CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030734037	1	60	0.0	-51.99	438.55	2.48	-49.51
C[C@@H](C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1)[NH+](C)C	REAL300030734038	0	56	0.0	-60.87	401.07	4.37	-56.50
CC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1)[NH+]1CC(C)C1	REAL300030734052	0	60	0.0	-62.00	434.16	5.62	-56.38
CC1CC[N@@H+]1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030734053	1	57	0.0	-52.13	411.63	5.84	-46.29
CC1CC[N@H+]1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030734053	1	57	0.0	-48.65	415.42	5.77	-42.88
C[NH+](C)CC=CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030734055	0	57	0.0	-51.61	423.85	5.68	-45.93
CC(C)(C)C1(CNC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+]2CC(C)(C)C2)C1	REAL300030734059	1	60	0.0	-58.04	439.64	5.83	-52.21
CC[NH+](CC)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030734076	0	59	0.0	-49.68	423.65	5.75	-43.93
CC(C)(C)C1(CNC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+]2CCC2)C1	REAL300030734081	1	54	0.0	-58.14	399.36	4.69	-53.45
CC[NH+](CC)CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030734101	0	62	0.0	-52.86	446.13	6.35	-46.51
CC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1)[NH+]1CCC1	REAL300030734132	1	57	0.0	-57.04	402.07	4.55	-52.49
C[NH+](C)CC(C)(C)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030734136	0	62	0.0	-61.41	425.56	5.28	-56.13
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030734157	0	60	0.0	-56.60	416.21	5.46	-51.14
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030734157	1	60	0.0	-69.69	426.69	5.67	-64.02
C[NH+](C)CC(O)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1	REAL300030734167	0	60	0.0	-57.39	440.54	3.46	-53.93
C=CCC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C(C)(C)C)C1)[NH+](C)C	REAL300030734179	0	60	0.0	-46.43	422.12	5.82	-40.61
C[NH+](C)CC(=O)N1CC2=CC=CC=C2OC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030734304	0	50	0.0	-82.55	396.14	4.42	-78.13
C[NH+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1O2	REAL300030734524	0	50	0.0	-75.71	390.56	4.28	-71.43
O=C(C[NH+]1CCC1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1O2	REAL300030734533	1	51	0.0	-64.59	401.44	4.64	-59.95
COCCC1(NC(=O)C2CCC[N@@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030734701	0	52	0.0	-70.07	393.39	1.69	-68.38
COCCC1(NC(=O)C2CCC[N@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030734701	1	52	0.0	-62.04	393.77	1.59	-60.45
COCCC1(NC(=O)C2CCC[N@@H+]2C(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030734870	0	58	0.0	-64.77	435.33	3.28	-61.49
COCCC1(NC(=O)C2CCC[N@H+]2C(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030734870	1	58	0.0	-60.62	421.80	2.92	-57.70
COCCC1(NC(=O)CN2C=C[NH+]=C2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030734893	1	50	0.0	-70.03	403.88	2.61	-67.42
COCCC1(NC(=O)C2C[NH+]3CCC2CC3)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030734913	0	56	0.0	-75.90	413.78	2.72	-73.18
COCCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030734939	0	55	0.0	-70.87	409.34	1.87	-69.00
COCCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030734939	1	55	0.0	-72.15	414.55	2.22	-69.93
CC[C@@H]1[C@@H](C(=O)NC2(CCOC)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030734941	0	58	0.0	-70.96	430.55	2.81	-68.15
CC[C@@H]1[C@@H](C(=O)NC2(CCOC)CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030734941	1	58	0.0	-62.00	436.75	3.38	-58.62
CC[N@@H+]1CCOC(C(=O)NC2(CCOC)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030734945	1	56	0.0	-61.94	423.50	1.87	-60.07
CC[N@H+]1CCOC(C(=O)NC2(CCOC)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030734945	1	56	0.0	-73.46	419.86	1.84	-71.62
COCCC1(NC(=O)C[NH+]2C(C)CCC2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030734984	0	58	0.0	-66.21	428.29	3.03	-63.18
COCCC1(NC(=O)CCC[NH+]2CCCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030734987	0	58	0.0	-69.91	445.48	3.51	-66.40
COCCC1(NC(=O)CC[NH+]2CCCCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030734989	0	58	0.0	-73.79	438.45	3.41	-70.38
COCCC1(NC(=O)C[N@H+](C)C2CCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735022	0	55	0.0	-70.99	420.68	2.99	-68.00
COCCC1(NC(=O)C[N@@H+](C)C2CCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735022	1	55	0.0	-66.60	421.87	3.04	-63.56
COCCC1(NC(=O)CCC2CCC[N@@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735077	0	58	0.0	-69.77	437.86	3.38	-66.39
COCCC1(NC(=O)CCC2CCC[N@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735077	1	58	0.0	-64.50	443.14	3.64	-60.86
COCCC1(NC(=O)C2CC[NH+](C)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735090	0	55	0.0	-78.99	419.30	2.65	-76.34
COCCC1(NC(=O)C2=CN3C=[NH+]C=C3C=C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735154	0	50	0.0	-70.04	403.97	4.62	-65.42
COCCC1(NC(=O)CC[NH+]2CCOCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735160	1	56	0.0	-68.64	431.02	1.14	-67.50
COCCC1(NC(=O)CN2C=[NH+]C=C2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735171	1	50	0.0	-68.42	403.59	3.43	-64.99
COCCC1(NC(=O)CC2CC[N@H+](C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735190	0	55	0.0	-72.35	420.11	2.70	-69.65
COCCC1(NC(=O)CC2CC[N@@H+](C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735190	1	55	0.0	-72.23	422.33	2.81	-69.42
CCC(C(=O)NC1(CCOC)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030735197	0	54	0.0	-66.55	405.20	2.05	-64.50
COCCC1(NC(=O)C2=CC3=C[NH+]=CN3C=C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735214	1	50	0.0	-75.39	406.09	4.51	-70.88
COCCC1(NC(=O)CCCC[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735237	0	57	0.0	-70.85	439.36	3.27	-67.58
CCC[N@H+](C)CCC(=O)NC1(CCOC)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735248	0	57	0.0	-70.71	437.35	2.99	-67.72
CCC[N@@H+](C)CCC(=O)NC1(CCOC)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735248	1	57	0.0	-72.07	435.43	3.05	-69.02
CCC[N@H+](C)CC(=O)NC1(CCOC)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735250	0	54	0.0	-68.36	415.00	2.48	-65.88
CCC[N@@H+](C)CC(=O)NC1(CCOC)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735250	1	54	0.0	-70.66	413.03	2.51	-68.15
COCCC1(NC(=O)C23CC[N@H+](C2)CCC3)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735260	0	56	0.0	-75.13	416.10	2.20	-72.93
COCCC1(NC(=O)C23CC[N@@H+](C2)CCC3)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735260	1	56	0.0	-74.36	417.20	2.39	-71.97
COCCC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735281	0	52	0.0	-67.11	397.90	2.00	-65.11
COCCC1(NC(=O)[C@H]2CCC[N@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735281	1	52	0.0	-70.83	392.84	1.56	-69.27
CC[NH+](CC)CC(=O)NC1(CCOC)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735306	0	54	0.0	-63.48	406.79	2.06	-61.42
COCCC1(NC(=O)C[NH+]2CCC(C)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735352	0	58	0.0	-70.95	436.41	3.58	-67.37
COCCC1(NC(=O)C2(C[NH+](C)C)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735367	0	55	0.0	-70.29	423.70	2.45	-67.84
COCCC1(NC(=O)C2CC[NH+](C)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735405	0	55	0.0	-78.99	419.30	2.65	-76.34
CCC(C(=O)NC1(CCOC)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030735431	0	60	0.0	-67.25	439.80	3.34	-63.91
CC[N@H+](C)CCC(=O)NC1(CCOC)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735460	0	54	0.0	-66.36	415.77	2.38	-63.98
CC[N@@H+](C)CCC(=O)NC1(CCOC)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735460	1	54	0.0	-71.30	413.93	2.31	-68.99
COCCC1(NC(=O)C[N@@H+]2CCCC2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735481	0	55	0.0	-67.28	412.46	2.47	-64.81
COCCC1(NC(=O)C[N@H+]2CCCC2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735481	1	55	0.0	-67.35	419.25	2.85	-64.50
COCCC1(NC(=O)C[N@@H+]2CCC(C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735482	0	55	0.0	-67.96	421.62	2.76	-65.20
COCCC1(NC(=O)C[N@H+]2CCC(C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735482	1	55	0.0	-71.77	420.54	2.73	-69.04
COCCC1(NC(=O)C[N@@H+]2CCC(C)(C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735484	0	58	0.0	-69.33	438.97	3.31	-66.02
COCCC1(NC(=O)C[N@H+]2CCC(C)(C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735484	1	58	0.0	-67.39	440.54	3.28	-64.11
COCCC1(NC(=O)C[N@H+](C)CC(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735485	0	60	0.0	-67.26	445.83	3.55	-63.71
COCCC1(NC(=O)C[N@@H+](C)CC(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735485	1	60	0.0	-70.32	441.10	3.35	-66.97
CC[C@@H](C(=O)NC1(CCOC)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030735491	0	54	0.0	-62.78	406.31	1.94	-60.84
COCCC1(NC(=O)C[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735563	0	48	0.0	-65.96	375.75	1.15	-64.81
COCCC1(NC(=O)C[NH+]2CCCCCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735566	0	58	0.0	-64.18	426.75	3.22	-60.96
COCCC1(NC(=O)C[N+]2=CN(C)C=C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735569	0	50	0.0	-71.42	405.69	4.50	-66.92
COCCC1(NC(=O)C2CCC[N@H+](C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735572	0	55	0.0	-65.29	412.56	2.81	-62.48
COCCC1(NC(=O)C2CCC[N@@H+](C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735572	1	55	0.0	-61.26	413.78	2.78	-58.48
COCCC1(NC(=O)C2CCC[N@@H+]2C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735576	0	56	0.0	-64.72	431.55	3.64	-61.08
COCCC1(NC(=O)C2CCC[N@H+]2C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735576	1	56	0.0	-66.41	417.49	2.71	-63.70
COCCC1(NC(=O)C(C)[NH+]2CCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735586	1	52	0.0	-63.14	405.69	2.10	-61.04
CCC(CC(=O)NC1(CCOC)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030735590	0	60	0.0	-72.17	448.82	3.61	-68.56
COCCC1(NC(=O)C[NH+]2CCC(O)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735604	1	56	0.0	-75.02	426.66	-0.39	-75.41
COCCC1(NC(=O)C[N@H+](C)C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735605	0	52	0.0	-63.34	405.07	2.57	-60.77
COCCC1(NC(=O)C[N@@H+](C)C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735605	1	52	0.0	-67.81	403.06	2.51	-65.30
COCCC1(NC(=O)CC2C[NH+](C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735617	0	52	0.0	-65.43	407.19	1.96	-63.47
COCCC1(NC(=O)C2CC[N@@H+]2C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735626	0	58	0.0	-67.24	410.71	2.45	-64.79
COCCC1(NC(=O)C2CC[N@H+]2C(C)(C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735626	1	58	0.0	-70.70	435.63	2.69	-68.01
COCCC1(NC(=O)[C@H](C)[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735637	0	51	0.0	-69.05	392.04	1.47	-67.58
COCCC1(NC(=O)CN2C=CSC2=[NH2+])CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735681	0	48	0.0	-66.55	400.87	1.29	-65.26
COCCC1(NC(=O)CC[N@H+](C)CCO)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735686	0	55	0.0	-71.49	424.28	-0.90	-72.39
COCCC1(NC(=O)CC[N@@H+](C)CCO)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735686	1	55	0.0	-68.82	425.96	-1.00	-69.82
COCCC1(NC(=O)[C@H](C)[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735687	0	51	0.0	-69.05	392.04	1.47	-67.58
COCCC1(NC(=O)[C@H]2CCCC[N@@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735690	0	55	0.0	-68.18	417.69	2.70	-65.48
COCCC1(NC(=O)[C@H]2CCCC[N@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735690	1	55	0.0	-68.42	403.11	2.45	-65.97
COCCC1(NC(=O)C[NH+]2CCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735731	1	49	0.0	-70.66	383.90	1.52	-69.14
COCCC1(NC(=O)C=C2CC[N@H+](C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735744	0	53	0.0	-72.63	411.66	2.67	-69.96
COCCC1(NC(=O)C=C2CC[N@@H+](C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735744	1	53	0.0	-74.93	412.32	2.59	-72.34
COCCC1(NC(=O)COCC[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735761	0	55	0.0	-69.60	429.68	1.99	-67.61
C=CCC(C)(C(=O)NC1(CCOC)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030735772	0	58	0.0	-68.49	427.35	3.52	-64.97
COCCC1(NC(=O)CN2CC(C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735802	0	52	0.0	-67.92	405.88	2.39	-65.53
COCCC1(NC(=O)C[NH+]2CC(C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735802	1	52	0.0	-67.92	405.88	2.39	-65.53
COCCC1(NC(=O)CN(C)CCO)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735819	0	52	0.0	-70.66	401.88	-1.47	-72.13
COCCC1(NC(=O)C[N@H+](C)CCO)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735819	1	52	0.0	-71.65	402.61	-1.54	-73.19
COCCC1(NC(=O)C[N@@H+](C)CCO)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735819	1	52	0.0	-71.65	402.61	-1.54	-73.19
CC[N@@H+]1CCCC(C(=O)NC2(CCOC)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030735835	0	58	0.0	-68.54	436.38	3.37	-65.17
CC[N@H+]1CCCC(C(=O)NC2(CCOC)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030735835	1	58	0.0	-68.54	436.38	3.37	-65.17
COCCC1(NC(=O)CC(C)C[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735837	0	57	0.0	-70.36	431.18	3.13	-67.23
CC[N@H+](C)CC(=O)NC1(CCOC)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735840	0	51	0.0	-67.92	393.50	1.73	-66.19
CC[N@H+](CC(=O)NC1(CCOC)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030735864	0	55	0.0	-67.09	422.39	3.13	-63.96
CC[N@@H+](CC(=O)NC1(CCOC)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030735864	1	55	0.0	-68.27	420.01	2.99	-65.28
CC[NH+](CC)CCC(=O)NC1(CCOC)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735872	0	57	0.0	-65.71	429.16	2.61	-63.10
COCCC1(NC(=O)C=C2CC[NH+](C)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735880	0	56	0.0	-70.93	426.65	3.10	-67.83
COCCC1(NC(=O)C[N@@H+]2CCC(C)(O)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735903	0	56	0.0	-72.87	430.91	-0.49	-73.36
COCCC1(NC(=O)C[N@H+]2CCC(C)(O)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735903	1	56	0.0	-69.70	431.98	-0.58	-70.28
COCCC1(NC(=O)C=CC[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735905	0	52	0.0	-71.78	409.95	2.36	-69.42
COCCC1(NC(=O)C(C)OCC[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735911	0	58	0.0	-70.88	450.96	2.65	-68.23
COCCC1(NC(=O)CCOCC[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735917	0	58	0.0	-68.21	450.82	1.92	-66.29
COCC[N@H+](C)CC(=O)NC1(CCOC)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735918	1	55	0.0	-71.17	424.82	0.87	-70.30
COCC[N@@H+](C)CC(=O)NC1(CCOC)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735918	1	55	0.0	-70.83	424.13	0.93	-69.90
COCCC1(NC(=O)CCC(C)[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735934	0	57	0.0	-68.97	431.26	2.80	-66.17
CC[N@@H+]1CCC1C(=O)NC1(CCOC)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735940	1	52	0.0	-63.61	400.47	1.68	-61.93
CC[N@H+]1CCC1C(=O)NC1(CCOC)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735940	1	52	0.0	-71.33	406.14	2.04	-69.29
COCCC1(NC(=O)C[N@@H+]2CCCC2CO)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735950	0	56	0.0	-66.64	421.62	-0.41	-67.05
COCCC1(NC(=O)C[N@H+]2CCCC2CO)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735950	1	56	0.0	-68.72	428.94	-0.46	-69.18
C=CCC(C(=O)NC1(CCOC)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030735980	0	55	0.0	-63.07	418.75	2.44	-60.63
COCCC1(NC(=O)C2CC(C)(C)C[N@@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735984	0	58	0.0	-67.88	439.28	3.30	-64.58
COCCC1(NC(=O)C2CC(C)(C)C[N@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735984	1	58	0.0	-62.52	435.74	2.77	-59.75
COCCC1(NC(=O)CCCCC[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735986	0	60	0.0	-70.24	460.85	4.06	-66.18
COCCC1(NC(=O)C[NH+]2CC3CC3C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735991	0	53	0.0	-70.56	408.35	2.94	-67.62
CCCC(C(=O)NC1(CCOC)CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030736003	0	57	0.0	-62.23	427.21	2.96	-59.27
COCCC1(NC(=O)C2CCCC[N@@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736025	0	55	0.0	-68.25	408.68	2.52	-65.73
COCCC1(NC(=O)C2CCCC[N@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736025	1	55	0.0	-67.65	417.59	2.69	-64.96
COCCC1(NC(=O)CC2=CC[N@H+](C)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736044	0	56	0.0	-68.86	432.96	3.43	-65.43
COCCC1(NC(=O)CC2=CC[N@@H+](C)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736044	1	56	0.0	-67.19	434.90	3.36	-63.83
COCCC1(NC(=O)C=CC[NH+]2CCCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736071	0	56	0.0	-66.92	438.04	3.58	-63.34
COCCC1(NC(=O)CC[NH+]2CCCC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736094	0	55	0.0	-73.95	422.78	2.71	-71.24
COCCC1(NC(=O)C2C[NH+]3CCN2CC3)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736113	0	55	0.0	-71.04	410.41	-0.52	-71.56
COCCC1(NC(=O)C[N@@H+]2CC3CCC2C3)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736120	0	56	0.0	-66.93	422.09	3.12	-63.81
COCCC1(NC(=O)C[N@H+]2CC3CCC2C3)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736120	1	56	0.0	-71.06	420.90	3.07	-67.99
COCCC1(NC(=O)C[N@@H+]2CC3C=CC2C3)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736154	1	54	0.0	-70.13	413.37	2.95	-67.18
COCCC1(NC(=O)C[N@H+]2CC3C=CC2C3)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736154	1	54	0.0	-66.64	415.01	3.00	-63.64
COCCC1(NC(=O)C(C)C[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736177	0	54	0.0	-70.95	413.72	2.27	-68.68
COCCC1(NC(=O)CC2CCCC[N@@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736213	0	58	0.0	-65.41	425.58	3.14	-62.27
COCCC1(NC(=O)CC2CCCC[N@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736213	1	58	0.0	-70.84	433.16	3.30	-67.54
COCCC1(NC(=O)C(C)[NH+]2CC(C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736221	1	55	0.0	-67.30	423.28	2.77	-64.53
COCCC1(NC(=O)C[N@@H+]2CCC2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736223	1	52	0.0	-71.42	405.80	2.08	-69.34
COCCC1(NC(=O)C[N@H+]2CCC2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736223	1	52	0.0	-71.11	400.25	1.81	-69.30
COCCC1(NC(=O)CC(O)C[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736224	0	55	0.0	-69.28	428.06	-0.10	-69.38
COCCC1(NC(=O)C2C[N@H+](C)CC(C)O2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736238	1	56	0.0	-77.37	424.77	1.73	-75.64
COCCC1(NC(=O)C2C[N@@H+](C)CC(C)O2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736238	1	56	0.0	-88.62	426.08	1.62	-87.00
COCCC1(NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736274	0	55	0.0	-76.01	423.63	2.78	-73.23
COCCC1(NC(=O)C(C)CC[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736278	0	57	0.0	-70.87	433.63	2.99	-67.88
COCCC1(NC(=O)CN2CC[NH+](C)CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736291	1	57	0.0	-69.05	432.82	0.60	-68.45
COCCC1(NC(=O)CSC(N)=[NH2+])CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736311	0	46	0.0	-66.11	384.27	-1.99	-68.10
COCCC1(NC(=O)CC2CC=CC[N@@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736330	0	56	0.0	-68.42	420.56	3.08	-65.34
COCCC1(NC(=O)CC2CC=CC[N@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736330	1	56	0.0	-67.30	427.02	3.05	-64.25
COCCC1(NC(=O)[C@@H](C)OCC[NH+](C)C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736340	0	58	0.0	-63.15	451.10	2.84	-60.31
COCCC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736401	0	52	0.0	-66.89	398.01	2.09	-64.80
COCCC1(NC(=O)CC[N@@H+]2CCC(F)C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736407	0	55	0.0	-75.54	428.14	2.90	-72.64
COCCC1(NC(=O)C2CC[N@H+](C)C2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736425	0	55	0.0	-68.88	415.35	2.42	-66.46
COCCC1(NC(=O)C2CC[N@@H+](C)C2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736425	1	55	0.0	-68.88	415.35	2.42	-66.46
COCCC1(NC(=O)CC2COCCN2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736452	0	56	0.0	-66.30	417.51	0.63	-65.67
COCCC1(NC(=O)CC2COCC[N@@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736452	1	56	0.0	-70.23	426.35	0.84	-69.39
COCCC1(NC(=O)CC2COCC[N@H+]2C)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736452	1	56	0.0	-70.23	426.35	0.84	-69.39
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC[N@@H+]2C)C1	REAL300030736617	0	52	0.0	-69.90	397.14	1.62	-68.28
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CN(C)CCO2)C1	REAL300030736643	0	53	0.0	-79.74	411.72	1.40	-78.34
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2C[N@H+](C)CCO2)C1	REAL300030736643	1	53	0.0	-91.77	411.15	1.48	-90.29
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2C[N@@H+](C)CCO2)C1	REAL300030736643	1	53	0.0	-91.77	411.15	1.48	-90.29
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCN2CCOCC2)C1	REAL300030736792	0	56	0.0	-74.01	431.99	1.26	-72.75
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC[NH+]2CCOCC2)C1	REAL300030736792	1	56	0.0	-74.01	431.99	1.26	-72.75
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300030736801	0	56	0.0	-69.56	414.79	2.51	-67.05
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC3=CN=CN3C=C2)C1	REAL300030736804	0	50	0.0	-79.31	401.72	4.19	-75.12
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300030736804	1	50	0.0	-79.31	401.72	4.19	-75.12
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2CC[N@H+](C)C2)C1	REAL300030736827	0	55	0.0	-76.43	425.70	2.82	-73.61
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2CC[N@@H+](C)C2)C1	REAL300030736827	1	55	0.0	-76.43	425.70	2.82	-73.61
CCC(C(=O)N1CCC(CCOC)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030736834	0	54	0.0	-68.14	408.16	2.15	-65.99
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCCC[NH+](C)C)C1	REAL300030736867	0	57	0.0	-72.00	442.36	3.28	-68.72
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(C(C)C)[NH+](C)C)C1	REAL300030736881	0	57	0.0	-65.51	416.79	2.35	-63.16
CCC[N@H+](C)CCC(=O)N1CCC(CCOC)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030736882	0	57	0.0	-72.10	438.32	3.21	-68.89
CCC[N@@H+](C)CCC(=O)N1CCC(CCOC)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030736882	1	57	0.0	-70.83	438.59	3.28	-67.55
CCC[N@H+](C)CC(=O)N1CCC(CCOC)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030736885	0	54	0.0	-75.40	416.54	2.61	-72.79
CCC[N@@H+](C)CC(=O)N1CCC(CCOC)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030736885	1	54	0.0	-69.69	416.23	2.51	-67.18
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300030736898	0	56	0.0	-75.16	410.83	2.01	-73.15
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300030736898	1	56	0.0	-68.28	411.10	1.92	-66.36
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+]2CCC(C)CC2)C1	REAL300030736926	0	58	0.0	-68.78	439.58	3.77	-65.01
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2(C[NH+](C)C)CC2)C1	REAL300030736964	0	55	0.0	-65.80	425.51	2.75	-63.05
CC[N@H+](C)CCC(=O)N1CCC(CCOC)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030736982	0	54	0.0	-70.33	417.06	2.55	-67.78
CC[N@@H+](C)CCC(=O)N1CCC(CCOC)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030736982	1	54	0.0	-70.11	417.08	2.53	-67.58
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300030736994	0	56	0.0	-80.42	415.59	2.76	-77.66
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC[NH+](C)CC2)C1	REAL300030737035	0	55	0.0	-81.89	417.50	2.57	-79.32
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1	REAL300030737050	0	57	0.0	-69.70	420.80	2.65	-67.05
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2([NH+](C)C)CCC2)C1	REAL300030737114	0	55	0.0	-64.19	406.46	2.38	-61.81
CCC(C(=O)N1CCC(CCOC)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030737142	0	60	0.0	-63.31	438.79	3.25	-60.06
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+]2CCCC2C)C1	REAL300030737151	0	55	0.0	-64.04	423.66	2.98	-61.06
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+]2CCCC2C)C1	REAL300030737151	1	55	0.0	-70.75	416.05	2.47	-68.28
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC[N@@H+]2C(C)C)C1	REAL300030737187	0	58	0.0	-70.45	429.25	3.64	-66.81
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC[N@H+]2C(C)C)C1	REAL300030737187	1	58	0.0	-65.92	428.61	3.39	-62.53
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1	REAL300030737194	0	57	0.0	-61.95	418.64	2.57	-59.38
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+]2CCC(C)C2)C1	REAL300030737207	0	55	0.0	-74.58	423.34	2.91	-71.67
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+]2CCC(C)C2)C1	REAL300030737207	1	55	0.0	-66.82	423.99	2.83	-63.99
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1	REAL300030737210	0	58	0.0	-74.07	442.31	3.40	-70.67
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1	REAL300030737210	1	58	0.0	-65.66	443.53	3.47	-62.19
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1	REAL300030737211	0	60	0.0	-68.77	447.23	3.68	-65.09
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1	REAL300030737211	1	60	0.0	-74.92	444.59	3.44	-71.48
CC[C@@H](C(=O)N1CCC(CCOC)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030737218	0	54	0.0	-62.91	408.91	2.24	-60.67
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CN2C=C[NH+]=C2C)C1	REAL300030737307	1	50	0.0	-71.49	406.70	2.79	-68.70
CC[N@@H+]1CCOC(C(=O)N2CCC(CCOC)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030737355	1	56	0.0	-77.37	428.99	2.08	-75.29
CC[N@H+]1CCOC(C(=O)N2CCC(CCOC)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030737355	1	56	0.0	-65.57	428.03	2.07	-63.50
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300030737378	0	50	0.0	-74.56	401.43	4.19	-70.37
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CN2C=[NH+]C=C2C)C1	REAL300030737381	1	50	0.0	-65.86	408.33	3.45	-62.41
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	REAL300030737386	0	55	0.0	-79.88	412.20	2.14	-77.74
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	REAL300030737386	1	55	0.0	-74.37	419.33	2.72	-71.65
CC[C@@H]1[C@@H](C(=O)N2CCC(CCOC)(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030737388	0	58	0.0	-78.67	431.05	2.65	-76.02
CC[C@@H]1[C@@H](C(=O)N2CCC(CCOC)(NC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030737388	1	58	0.0	-74.51	436.54	3.12	-71.39
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+]2C(C)CCC2C)C1	REAL300030737394	0	58	0.0	-64.69	433.33	2.91	-61.78
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCC[NH+]2CCCC2)C1	REAL300030737397	0	58	0.0	-70.28	445.24	3.56	-66.72
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC[NH+]2CCCCC2)C1	REAL300030737401	0	58	0.0	-69.63	440.97	3.76	-65.87
CC[N@@H+]1CCCCC1C(=O)N1CCC(CCOC)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030737404	0	58	0.0	-64.53	436.43	3.32	-61.21
CC[N@H+]1CCCCC1C(=O)N1CCC(CCOC)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030737404	1	58	0.0	-64.68	435.30	3.31	-61.37
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+](C)C2CCC2)C1	REAL300030737488	0	55	0.0	-73.54	423.54	3.19	-70.35
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+](C)C2CCC2)C1	REAL300030737488	1	55	0.0	-68.05	422.82	3.19	-64.86
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC[NH+](C)CC2)C1	REAL300030737513	0	55	0.0	-81.89	417.50	2.57	-79.32
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1	REAL300030737538	0	52	0.0	-71.23	399.60	2.11	-69.12
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@H]2CCC[N@H+]2C)C1	REAL300030737538	1	52	0.0	-64.36	397.43	1.63	-62.73
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CCOC)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030737555	1	54	0.0	-70.00	422.69	2.91	-67.09
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CCOC)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030737555	1	54	0.0	-64.76	426.53	3.30	-61.46
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCC2CCC[N@@H+]2C)C1	REAL300030737560	0	58	0.0	-81.15	442.38	3.50	-77.65
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCC2CCC[N@H+]2C)C1	REAL300030737560	1	58	0.0	-70.58	446.08	3.86	-66.72
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300030737625	0	55	0.0	-68.89	417.03	2.61	-66.28
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCCC[N@H+]2C)C1	REAL300030737625	1	55	0.0	-66.38	419.53	2.72	-63.66
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC[N@H+](C)C2C)C1	REAL300030737677	0	55	0.0	-66.64	419.28	2.64	-64.00
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC[N@@H+](C)C2C)C1	REAL300030737677	1	55	0.0	-73.30	412.47	2.05	-71.25
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC[N@@H+]2C(C)(C)C)C1	REAL300030737729	0	58	0.0	-71.35	420.39	2.11	-69.24
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC[N@H+]2C(C)(C)C)C1	REAL300030737729	1	58	0.0	-73.08	417.33	2.27	-70.81
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300030737743	0	51	0.0	-67.36	394.01	1.39	-65.97
C=CCC(C)(C(=O)N1CCC(CCOC)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030737756	0	58	0.0	-62.81	421.11	2.72	-60.09
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC[NH+]2CCCC2)C1	REAL300030737770	0	55	0.0	-69.69	425.32	3.05	-66.64
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+](C)CCO)C1	REAL300030737779	1	52	0.0	-69.86	405.08	-1.46	-71.32
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+](C)CCO)C1	REAL300030737779	1	52	0.0	-75.34	405.33	-1.52	-76.86
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2=CC[N@H+](C)CC2)C1	REAL300030737828	0	56	0.0	-75.48	436.44	3.55	-71.93
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2=CC[N@@H+](C)CC2)C1	REAL300030737828	1	56	0.0	-73.23	436.44	3.55	-69.68
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2(C)CC(O)C[N@@H+]2C)C1	REAL300030737846	0	56	0.0	-64.63	419.21	-1.35	-65.98
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2(C)CC(O)C[N@H+]2C)C1	REAL300030737846	1	56	0.0	-64.98	419.63	-1.28	-66.26
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+]2CC(C)C2)C1	REAL300030737872	1	52	0.0	-74.61	408.67	2.25	-72.36
CC[N@@H+]1CCCC(C(=O)N2CCC(CCOC)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030737878	0	58	0.0	-59.32	429.79	3.48	-55.84
CC[N@H+]1CCCC(C(=O)N2CCC(CCOC)(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030737878	1	58	0.0	-69.75	431.85	3.35	-66.40
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2=CC=C[NH+]=C2N)C1	REAL300030737882	0	51	0.0	-65.98	412.81	0.94	-65.04
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300030737889	0	56	0.0	-70.42	430.55	3.53	-66.89
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300030737889	1	56	0.0	-69.65	427.47	3.00	-66.65
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300030737910	0	56	0.0	-81.12	438.81	3.49	-77.63
CC[N@H+](C)CC(=O)N1CCC(CCOC)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030737951	0	51	0.0	-75.22	395.04	1.87	-73.35
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CN2CC3C=CC2C3)C1	REAL300030737982	0	54	0.0	-73.49	416.92	3.17	-70.32
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300030737982	1	54	0.0	-72.46	416.73	3.11	-69.35
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300030737982	1	54	0.0	-72.46	416.73	3.11	-69.35
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(C)OCC[NH+](C)C)C1	REAL300030738056	0	58	0.0	-69.77	447.28	2.84	-66.93
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCOCC[NH+](C)C)C1	REAL300030738063	0	58	0.0	-69.33	453.55	2.03	-67.30
COCCN(C)CC(=O)N1CCC(CCOC)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030738065	0	55	0.0	-74.78	427.58	0.89	-73.89
COCC[N@H+](C)CC(=O)N1CCC(CCOC)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030738065	1	55	0.0	-70.41	427.06	1.05	-69.36
COCC[N@@H+](C)CC(=O)N1CCC(CCOC)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030738065	1	55	0.0	-70.41	427.06	1.05	-69.36
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCC(C)[NH+](C)C)C1	REAL300030738068	0	57	0.0	-70.10	434.12	2.90	-67.20
CC[N@H+](CC(=O)N1CCC(CCOC)(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030738082	0	55	0.0	-67.96	417.93	2.91	-65.05
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C23CC(C2)C[N@@H+]3C)C1	REAL300030738107	0	53	0.0	-78.64	405.62	2.23	-76.41
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300030738114	0	56	0.0	-70.83	421.55	3.09	-67.74
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300030738114	1	56	0.0	-70.83	421.55	3.09	-67.74
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(C)C[NH+](C)C)C1	REAL300030738128	0	54	0.0	-70.48	411.06	2.26	-68.22
CCN1CCC1C(=O)N1CCC(CCOC)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030738158	0	52	0.0	-73.91	410.23	2.09	-71.82
CC[N@@H+]1CCC1C(=O)N1CCC(CCOC)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030738158	1	52	0.0	-73.21	400.58	1.72	-71.49
CC[N@H+]1CCC1C(=O)N1CCC(CCOC)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030738158	1	52	0.0	-73.21	400.58	1.72	-71.49
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(CCOC)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030738166	0	60	0.0	-66.05	437.34	1.49	-64.56
CCCC(C(=O)N1CCC(CCOC)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030738197	0	57	0.0	-67.37	428.67	2.94	-64.43
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(C)(C)[NH+](C)C)C1	REAL300030738201	0	54	0.0	-70.28	396.69	1.60	-68.68
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(C)CC[NH+](C)C)C1	REAL300030738214	0	57	0.0	-70.88	432.70	2.88	-68.00
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC(C)(C)C[N@@H+]2C)C1	REAL300030738264	0	58	0.0	-68.51	436.73	2.66	-65.85
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CC(C)(C)C[N@H+]2C)C1	REAL300030738264	1	58	0.0	-68.51	436.73	2.66	-65.85
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCCCC[NH+](C)C)C1	REAL300030738266	0	60	0.0	-71.75	463.59	4.16	-67.59
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CN2CCN(C)CC2)C1	REAL300030738273	0	57	0.0	-70.22	435.75	0.71	-69.51
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CN2CC[NH+](C)CC2)C1	REAL300030738273	1	57	0.0	-70.22	435.75	0.71	-69.51
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CN(C)CC(C)O2)C1	REAL300030738319	0	56	0.0	-67.60	431.61	2.27	-65.33
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2C[N@H+](C)CC(C)O2)C1	REAL300030738319	1	56	0.0	-79.04	423.62	1.55	-77.49
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2C[N@@H+](C)CC(C)O2)C1	REAL300030738319	1	56	0.0	-79.04	423.62	1.55	-77.49
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300030738365	0	55	0.0	-66.38	419.53	2.72	-63.66
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C=C2CC[N@H+](C)C2)C1	REAL300030738426	0	53	0.0	-81.25	415.25	2.71	-78.54
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C=C2CC[N@@H+](C)C2)C1	REAL300030738426	1	53	0.0	-81.25	415.25	2.71	-78.54
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300030738428	0	51	0.0	-69.49	412.44	0.48	-69.01
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2([NH+](C)C)CCCC2)C1	REAL300030738479	0	58	0.0	-65.66	412.10	2.28	-63.38
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1	REAL300030738497	0	52	0.0	-64.56	399.19	1.97	-62.59
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C1	REAL300030738579	0	55	0.0	-79.48	426.51	2.80	-76.68
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2(CC[NH+](C)C)CC2)C1	REAL300030738587	0	58	0.0	-84.80	448.66	3.44	-81.36
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2CC=CC[N@@H+]2C)C1	REAL300030738588	0	56	0.0	-72.10	427.53	3.33	-68.77
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2CC=CC[N@H+]2C)C1	REAL300030738588	1	56	0.0	-72.10	427.53	3.33	-68.77
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)COCC[NH+](C)C)C1	REAL300030738617	0	55	0.0	-70.88	432.60	2.34	-68.54
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CN2C=CSC2=[NH2+])C1	REAL300030738642	0	48	0.0	-72.40	404.36	1.37	-71.03
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@@H](C)OCC[NH+](C)C)C1	REAL300030738675	0	58	0.0	-75.69	448.32	2.61	-73.08
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+]2CCCCC2)C1	REAL300030738700	0	55	0.0	-69.03	418.73	2.97	-66.06
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC[N@H+](C)C2)C1	REAL300030738701	0	55	0.0	-60.75	412.15	2.74	-58.01
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2CCC[N@@H+](C)C2)C1	REAL300030738701	1	55	0.0	-77.50	417.57	2.48	-75.02
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+]2CCCCCC2)C1	REAL300030738702	0	58	0.0	-69.28	427.96	3.16	-66.12
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N+]2=CN(C)C=C2)C1	REAL300030738705	0	50	0.0	-67.20	407.96	4.72	-62.48
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300030738724	1	56	0.0	-72.84	429.82	-0.20	-73.04
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+](C)C2CC2)C1	REAL300030738725	1	52	0.0	-66.90	406.26	2.52	-64.38
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC[N@H+]2CCC(F)C2)C1	REAL300030738728	1	55	0.0	-71.79	432.77	2.95	-68.84
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC(C)C[NH+](C)C)C1	REAL300030738747	0	57	0.0	-71.47	433.71	3.06	-68.41
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2COCCN2C)C1	REAL300030738766	0	56	0.0	-73.11	429.16	0.95	-72.16
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2COCC[N@@H+]2C)C1	REAL300030738766	1	56	0.0	-81.42	429.16	0.99	-80.43
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2COCC[N@H+]2C)C1	REAL300030738766	1	56	0.0	-73.11	429.16	0.95	-72.16
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=C[NH+]=C(N)C=C2C)C1	REAL300030738802	1	51	0.0	-74.90	405.97	0.31	-74.59
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+]2CCC(C)(O)C2)C1	REAL300030738829	1	56	0.0	-66.85	434.67	-0.43	-67.28
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2C[NH+](C)C2)C1	REAL300030738852	0	52	0.0	-70.68	408.02	2.07	-68.61
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+](C)C)C1	REAL300030738861	0	48	0.0	-70.65	376.73	1.21	-69.44
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC[N@H+](C)CCO)C1	REAL300030738876	0	55	0.0	-69.76	427.44	-0.68	-70.44
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC[N@@H+](C)CCO)C1	REAL300030738876	1	55	0.0	-70.43	427.28	-0.90	-71.33
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300030738877	0	51	0.0	-67.36	394.01	1.39	-65.97
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2CCCC[N@@H+]2C)C1	REAL300030738891	0	58	0.0	-78.72	437.57	3.38	-75.34
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2CCCC[N@H+]2C)C1	REAL300030738891	1	58	0.0	-80.08	436.86	3.33	-76.75
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(C)[NH+]2CC(C)C2)C1	REAL300030738901	0	55	0.0	-73.59	425.05	2.66	-70.93
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+]2CCC2C)C1	REAL300030738903	1	52	0.0	-66.45	410.06	2.29	-64.16
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+]2CCC2C)C1	REAL300030738903	1	52	0.0	-74.66	408.75	2.18	-72.48
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C=CC[NH+](C)C)C1	REAL300030738909	0	52	0.0	-82.44	412.45	2.27	-80.17
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+]2CC(C)(C)C2)C1	REAL300030738915	1	55	0.0	-74.70	427.96	2.76	-71.94
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@@H+]2CCCC2CO)C1	REAL300030738950	0	56	0.0	-74.25	427.15	-0.80	-75.05
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N@H+]2CCCC2CO)C1	REAL300030738950	1	56	0.0	-72.27	428.34	-0.72	-72.99
CC[NH+](CC)CC(=O)N1CCC(CCOC)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030738954	0	54	0.0	-67.79	407.99	2.13	-65.66
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[NH+]2CCC2)C1	REAL300030738963	1	49	0.0	-69.11	387.22	1.78	-67.33
CC[NH+](CC)CCC(=O)N1CCC(CCOC)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030738991	0	57	0.0	-70.55	430.36	2.71	-67.84
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(C)[NH+]2CCC2)C1	REAL300030739043	1	52	0.0	-68.15	405.70	1.95	-66.20
CCC(CC(=O)N1CCC(CCOC)(NC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030739048	0	60	0.0	-72.61	448.44	3.59	-69.02
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(C)(C)C[NH+](C)C)C1	REAL300030739053	0	57	0.0	-70.32	417.18	2.40	-67.92
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1	REAL300030739085	0	55	0.0	-61.67	419.08	2.70	-58.97
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1	REAL300030739085	1	55	0.0	-68.22	405.63	2.15	-66.07
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC(O)C[NH+](C)C)C1	REAL300030739106	0	55	0.0	-74.81	429.34	0.30	-74.51
C=CCC(C(=O)N1CCC(CCOC)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030739127	0	55	0.0	-65.05	417.52	2.49	-62.56
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2(C)CC[NH+](C)CC2)C1	REAL300030739139	0	58	0.0	-60.64	425.28	2.68	-57.96
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC[N@@H+]1C	REAL300030739343	0	48	0.0	-49.57	355.33	4.74	-44.83
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC[N@H+]1C	REAL300030739343	1	48	0.0	-49.37	346.54	4.38	-44.99
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1C[N@H+](C)CCO1	REAL300030739367	1	49	0.0	-80.79	372.07	3.55	-77.24
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1C[N@@H+](C)CCO1	REAL300030739367	1	49	0.0	-79.29	371.35	3.54	-75.75
CC(C)C1=[NH+]C=CN1CCC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030739551	1	55	0.0	-66.22	424.46	6.55	-59.67
CC(C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300030739558	0	57	0.0	-51.61	381.48	6.05	-45.56
CC(C)[N@@H+]1CCCCC1C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030739560	0	57	0.0	-55.26	380.46	5.80	-49.46
CC(C)[N@H+]1CCCCC1C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030739560	1	57	0.0	-51.49	382.65	6.23	-45.26
CC(C)[N@@H+]1CCCC1C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030739594	0	54	0.0	-66.13	396.90	5.28	-60.85
CC(C)[N@H+]1CCCC1C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030739594	1	54	0.0	-57.99	380.35	6.18	-51.81
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC2CCCC[N@@H+]2C1	REAL300030739620	0	55	0.0	-54.50	394.56	7.91	-46.59
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC2CCCC[N@H+]2C1	REAL300030739620	1	55	0.0	-76.61	406.31	5.90	-70.71
CC(C)C1=[NH+]C=CN1CC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030739653	1	52	0.0	-71.05	406.48	5.97	-65.08
CC1=[NH+]C=CN1CC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030739707	1	46	0.0	-72.29	370.80	4.94	-67.35
CC(C[NH+]1CCOCC1)C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030739709	0	55	0.0	-79.68	407.25	3.74	-75.94
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCC[NH+]1CCCCC1	REAL300030739731	0	57	0.0	-78.82	426.54	6.54	-72.28
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)[NH+]1CCCCC1	REAL300030739758	0	57	0.0	-76.19	400.89	6.11	-70.08
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1C[NH+]2CCC1CC2	REAL300030739777	0	52	0.0	-65.90	368.29	5.42	-60.48
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCC2CCC[N@@H+]21	REAL300030739835	0	55	0.0	-64.81	398.46	5.90	-58.91
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCC2CCC[N@H+]21	REAL300030739835	1	55	0.0	-64.31	401.48	5.95	-58.36
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300030739837	0	54	0.0	-97.68	421.62	4.41	-93.27
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300030739852	0	54	0.0	-95.20	421.47	5.06	-90.14
C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030739859	0	51	0.0	-80.06	377.31	4.42	-75.64
C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030739859	1	51	0.0	-81.48	381.31	4.46	-77.02
CCC1=[NH+]C=CN1C(C)CC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030739862	1	55	0.0	-52.64	415.15	7.11	-45.53
CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030739865	0	54	0.0	-69.57	375.19	5.11	-64.46
CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030739865	1	54	0.0	-72.08	398.20	5.24	-66.84
CC[N@@H+]1CCOC(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030739891	1	52	0.0	-89.47	391.07	4.17	-85.30
CC[N@H+]1CCOC(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030739891	1	52	0.0	-74.30	382.09	4.02	-70.28
CC[NH+](CC)CC(F)C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030739951	0	53	0.0	-78.00	397.81	4.92	-73.08
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=C(C[NH+](C)C)C=CS1	REAL300030739952	0	51	0.0	-68.60	412.76	5.82	-62.78
CC1CCC(C)[NH+]1CC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030740057	0	54	0.0	-68.89	382.77	4.76	-64.13
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCC[NH+]1CCCC1	REAL300030740064	0	54	0.0	-72.63	409.07	5.94	-66.69
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(C[NH+](C)C)=CC=C1	REAL300030740065	0	54	0.0	-83.15	415.45	6.35	-76.80
C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030740072	0	53	0.0	-57.38	396.21	5.60	-51.78
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[NH+]1CCCCC1	REAL300030740073	0	54	0.0	-72.78	403.09	5.82	-66.96
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CC=C1C[NH+](C)C	REAL300030740077	0	54	0.0	-67.67	406.97	6.44	-61.23
CC[N@@H+]1CCCCC1C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030740086	0	54	0.0	-64.45	395.39	5.45	-59.00
CC[N@H+]1CCCCC1C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030740086	1	54	0.0	-49.59	379.35	6.35	-43.24
CC(C)C(C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300030740087	0	60	0.0	-52.73	401.63	7.51	-45.22
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(C1=CC=CC=C1)[NH+](C)C	REAL300030740090	1	54	0.0	-44.46	385.56	6.52	-37.94
CC(C)C[N@@H+]1CCC(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030740116	0	57	0.0	-72.44	421.72	6.23	-66.21
CC(C)C[N@H+]1CCC(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030740116	1	57	0.0	-70.97	419.87	6.19	-64.78
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1([NH+](C)C)CCC1	REAL300030740120	0	51	0.0	-58.67	347.01	4.78	-53.89
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(CN1C=CC=N1)[NH+](C)C	REAL300030740122	1	54	0.0	-46.79	389.50	4.65	-42.14
CC(C)[N@@H+]1CCCC1CC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030740127	0	57	0.0	-65.72	407.76	5.86	-59.86
CC(C)[N@H+]1CCCC1CC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030740127	1	57	0.0	-70.36	417.41	5.99	-64.37
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC[N@@H+]1C1CCCC1	REAL300030740128	0	58	0.0	-68.27	418.11	6.75	-61.52
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC[N@H+]1C1CCCC1	REAL300030740128	1	58	0.0	-68.14	406.77	5.71	-62.43
CC(C)[C@@H](C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030740149	0	53	0.0	-65.67	380.37	4.66	-61.01
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)C1CCC1	REAL300030740211	0	51	0.0	-69.41	385.49	5.35	-64.06
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)C1CCC1	REAL300030740211	1	51	0.0	-72.86	386.21	5.18	-67.68
CC(C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300030740297	0	57	0.0	-50.79	398.49	6.17	-44.62
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCN(C)C1=CC=[NH+]C=C1	REAL300030740376	0	53	0.0	-70.23	413.77	5.06	-65.17
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030740388	1	50	0.0	-73.46	386.26	4.95	-68.51
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030740388	1	50	0.0	-74.77	393.14	5.46	-69.31
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCC1CCC[N@@H+]1C	REAL300030740398	0	54	0.0	-82.60	404.64	5.65	-76.95
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCC1CCC[N@H+]1C	REAL300030740398	1	54	0.0	-71.83	400.39	5.40	-66.43
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CCC[NH+](CCC1)C2	REAL300030740411	0	55	0.0	-68.66	363.91	6.63	-62.03
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC2CCCC[N@@H+]21	REAL300030740419	0	55	0.0	-65.93	398.75	5.79	-60.14
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC2CCCC[N@H+]21	REAL300030740419	1	55	0.0	-46.68	388.52	6.30	-40.38
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)C[NH+]1CCOCC1	REAL300030740427	0	58	0.0	-64.34	390.20	5.42	-58.92
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCCC[NH+]1CCCC1	REAL300030740447	0	57	0.0	-72.71	430.60	6.71	-66.00
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300030740450	1	54	0.0	-53.08	405.16	7.43	-45.65
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300030740450	1	54	0.0	-80.14	419.76	6.91	-73.23
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[NH+](C)CC1	REAL300030740467	0	51	0.0	-72.33	366.17	6.72	-65.61
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300030740527	1	50	0.0	-84.20	394.94	4.52	-79.68
CC1=C(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300030740529	0	49	0.0	-81.50	389.54	7.02	-74.48
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCC[N@@H+]1C	REAL300030740572	0	51	0.0	-47.06	366.51	5.39	-41.67
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCC[N@H+]1C	REAL300030740572	1	51	0.0	-70.29	367.42	4.46	-65.83
CC(C)C[N@@H+]1CCCC1C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030740603	0	57	0.0	-68.99	414.83	5.88	-63.11
CC(C)C[N@H+]1CCCC1C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030740603	1	57	0.0	-74.66	418.13	5.89	-68.77
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300030740760	0	46	0.0	-84.08	373.37	6.52	-77.56
CC1=[NH+]C=CN1CCCC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030740773	1	52	0.0	-75.69	412.00	6.19	-69.50
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCCC[NH+]1CCOCC1	REAL300030740777	1	58	0.0	-83.20	439.31	4.88	-78.32
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300030740783	0	54	0.0	-89.13	417.56	6.45	-82.68
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[NH+]1CCOCC1	REAL300030740784	1	52	0.0	-81.42	396.31	3.30	-78.12
CCC[NH+](CCC)CCCC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030740809	0	62	0.0	-79.07	459.01	7.24	-71.83
CC1=C[NH+]=CN1CC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030740829	1	46	0.0	-41.33	355.18	5.98	-35.35
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CN1C=[NH+]C2=C1CCCC2	REAL300030740840	1	53	0.0	-39.31	397.18	7.70	-31.61
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1(C[NH+](C)C)CCCCC1	REAL300030740884	0	60	0.0	-57.84	370.64	7.79	-50.05
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[N@H+](C)C1CCCCC1	REAL300030740890	0	60	0.0	-74.40	437.68	7.00	-67.40
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[N@@H+](C)C1CCCCC1	REAL300030740890	1	60	0.0	-80.17	439.44	6.91	-73.26
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CCC[NH+]1CCC2	REAL300030740895	0	52	0.0	-65.47	376.16	4.72	-60.75
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCC([NH+](C)C)C1	REAL300030740934	0	57	0.0	-70.93	414.15	5.98	-64.95
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC[N@H+](C)C1	REAL300030740939	0	51	0.0	-73.79	386.40	4.96	-68.83
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC[N@@H+](C)C1	REAL300030740939	1	51	0.0	-52.10	369.88	5.27	-46.83
CN(C)C1=CC=[NH+]C=C1C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030740953	0	50	0.0	-74.81	386.20	3.50	-71.31
CCC(C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030740959	0	50	0.0	-49.94	349.93	5.31	-44.63
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1([NH+](C)C)CCCC1	REAL300030740979	0	57	0.0	-53.38	387.34	6.06	-47.32
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300030741044	1	46	0.0	-84.81	376.73	6.65	-78.16
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300030741087	1	49	0.0	-92.76	399.07	5.01	-87.75
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCCC[NH+](C)C	REAL300030741121	0	53	0.0	-74.03	404.41	5.54	-68.49
CC(C)C(C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030741143	0	53	0.0	-44.24	362.29	5.04	-39.20
CCC[N@H+](C)CCC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030741145	0	53	0.0	-79.71	402.65	5.26	-74.45
CCC[N@@H+](C)CCC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030741145	1	53	0.0	-79.61	402.64	5.26	-74.35
CCC[N@H+](C)CC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030741151	0	50	0.0	-75.38	380.28	4.66	-70.72
CCC[N@@H+](C)CC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030741151	1	50	0.0	-75.26	379.24	4.61	-70.65
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CC[N@H+](C1)CCC2	REAL300030741181	0	52	0.0	-74.94	371.54	4.19	-70.75
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CC[N@@H+](C1)CCC2	REAL300030741181	1	52	0.0	-77.17	371.53	4.15	-73.02
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300030741245	0	48	0.0	-71.96	362.46	4.05	-67.91
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CCC[N@H+]1C	REAL300030741245	1	48	0.0	-58.68	339.77	4.05	-54.63
CC1CC2CCC(C(=O)N(C)C[C@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)C[N@@H+]2C1	REAL300030741272	0	58	0.0	-64.31	417.16	6.72	-57.59
CC1CC2CCC(C(=O)N(C)C[C@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)C[N@H+]2C1	REAL300030741272	1	58	0.0	-50.92	407.89	7.17	-43.75
CCCCCC[N@H+](C)CC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030741323	0	59	0.0	-76.53	443.82	6.97	-69.56
CCCCCC[N@@H+](C)CC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030741323	1	59	0.0	-76.43	443.39	6.95	-69.48
CC[NH+](CC)C(C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300030741332	0	59	0.0	-43.29	397.39	6.74	-36.55
CC[NH+](CC)CC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030741342	0	50	0.0	-69.91	376.15	4.65	-65.26
CCC[N@@H+]1CCCC(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030741376	0	57	0.0	-68.07	413.52	6.21	-61.86
CCC[N@H+]1CCCC(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030741376	1	57	0.0	-48.61	395.85	8.04	-40.57
CC(C)[N@@H+]1CCOC(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030741399	0	55	0.0	-59.96	389.74	5.08	-54.88
CC(C)[N@H+]1CCOC(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030741399	1	55	0.0	-75.94	400.73	4.50	-71.44
CC1CC[NH+](CC(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030741439	0	54	0.0	-76.57	402.89	5.73	-70.84
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300030741470	1	49	0.0	-84.92	396.51	4.34	-80.58
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)COC1CC[NH+](C)CC1	REAL300030741479	0	55	0.0	-86.90	420.02	5.38	-81.52
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1(C[NH+](C)C)CC1	REAL300030741496	0	51	0.0	-77.57	375.32	6.18	-71.39
CC1=[NH+]C=C2CCC(C(=O)N(C)C[C@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)CN21	REAL300030741497	1	53	0.0	-58.15	391.62	7.76	-50.39
CC(C)[NH+]1CCC(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030741598	0	57	0.0	-53.58	405.32	5.56	-48.02
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[NH+](C)CC1	REAL300030741628	0	51	0.0	-72.33	366.17	6.72	-65.61
CC(C)[C@H](C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030741651	0	53	0.0	-72.05	381.39	4.86	-67.19
CCC(C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300030741688	0	56	0.0	-46.81	374.45	5.53	-41.28
CC[N@H+](C)CCC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030741783	0	50	0.0	-73.47	379.37	4.62	-68.85
CC[N@@H+](C)CCC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030741783	1	50	0.0	-78.87	381.14	4.51	-74.36
CC1CCC[N@@H+]1CC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030741859	0	51	0.0	-72.81	386.18	5.07	-67.74
CC1CCC[N@H+]1CC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030741859	1	51	0.0	-47.19	361.70	4.95	-42.24
CC1CC[N@H+](CC(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030741861	0	51	0.0	-74.43	386.40	4.93	-69.50
CC1CC[N@@H+](CC(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030741861	1	51	0.0	-71.05	384.28	5.12	-65.93
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1(F)CC[N@@H+](C(C)(C)C)C1	REAL300030741862	0	57	0.0	-70.61	416.73	5.37	-65.24
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1(F)CC[N@H+](C(C)(C)C)C1	REAL300030741862	1	57	0.0	-71.73	418.97	5.45	-66.28
CC1=[NH+]C=C2CC(C(=O)N(C)C[C@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)CCN21	REAL300030741864	1	53	0.0	-55.09	396.38	6.49	-48.60
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300030741867	0	54	0.0	-47.06	387.89	5.80	-41.26
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+]1CCC(C)(C)C1	REAL300030741867	1	54	0.0	-70.74	404.39	5.59	-65.15
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)CC(C)(C)C	REAL300030741868	0	56	0.0	-50.04	398.45	6.49	-43.55
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)CC(C)(C)C	REAL300030741868	1	56	0.0	-75.86	407.25	5.67	-70.19
CC[C@@H](C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030741879	0	50	0.0	-64.77	353.89	4.56	-60.21
CC(COCC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCC1	REAL300030741887	0	58	0.0	-70.16	437.84	6.09	-64.07
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[NH+](CC2CC2)CC1	REAL300030741975	0	58	0.0	-84.68	431.65	6.89	-77.79
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1(O)CC[NH+](C)CC1	REAL300030742125	0	55	0.0	-74.38	410.87	3.52	-70.86
COCC[N@@H+]1CCCC1CC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030742132	0	58	0.0	-72.16	428.87	4.68	-67.48
COCC[N@H+]1CCCC1CC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030742132	1	58	0.0	-53.89	420.65	6.90	-46.99
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+](C)C	REAL300030742140	0	44	0.0	-52.44	328.47	3.86	-48.58
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCC(CO)CC1	REAL300030742145	0	55	0.0	-76.97	413.76	2.40	-74.57
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCCCCC1	REAL300030742149	0	54	0.0	-74.61	392.37	5.30	-69.31
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N+]1=CN(C)C=C1	REAL300030742154	0	46	0.0	-68.12	370.48	6.86	-61.26
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC[N@H+](C)C1	REAL300030742165	0	51	0.0	-72.93	381.32	4.74	-68.19
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC[N@@H+](C)C1	REAL300030742165	1	51	0.0	-67.52	374.32	4.81	-62.71
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC[N@@H+]1C1CC1	REAL300030742171	0	52	0.0	-67.44	390.57	5.40	-62.04
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC[N@H+]1C1CC1	REAL300030742171	1	52	0.0	-48.82	368.74	5.81	-43.01
CC(C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030742208	1	48	0.0	-67.90	360.09	3.82	-64.08
CCC(CC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030742217	0	56	0.0	-85.92	414.76	5.87	-80.05
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)C[NH+](C)C	REAL300030742226	0	53	0.0	-66.40	376.97	4.55	-61.85
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300030742249	0	53	0.0	-79.89	400.49	5.70	-74.19
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300030742249	1	53	0.0	-78.92	395.16	5.61	-73.31
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCC(O)CC1	REAL300030742272	1	52	0.0	-79.45	393.85	1.77	-77.68
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)C1CC1	REAL300030742274	0	48	0.0	-73.03	371.06	4.75	-68.28
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)C1CC1	REAL300030742274	1	48	0.0	-68.71	368.52	4.75	-63.96
CC(C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300030742275	1	56	0.0	-47.11	392.81	3.35	-43.76
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1C[NH+](C)C1	REAL300030742304	0	48	0.0	-78.84	372.45	4.05	-74.79
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[N@@H+]1C1CCCC1	REAL300030742308	0	55	0.0	-69.09	403.56	5.79	-63.30
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[N@H+]1C1CCCC1	REAL300030742308	1	55	0.0	-69.31	397.21	5.54	-63.77
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300030742316	0	54	0.0	-51.71	370.16	5.39	-46.32
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[N@H+]1C(C)(C)C	REAL300030742316	1	54	0.0	-53.36	368.81	5.87	-47.49
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300030742327	0	54	0.0	-64.03	402.13	5.86	-58.17
C[C@@H](C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030742330	0	47	0.0	-46.45	334.67	3.88	-42.57
CCC1CCC[N@H+](CC(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030742382	0	57	0.0	-71.96	413.02	6.44	-65.52
CCC1CCC[N@@H+](CC(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030742382	1	57	0.0	-48.03	401.89	6.58	-41.45
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=C(C[NH+](C)C)N1	REAL300030742391	0	52	0.0	-78.08	401.37	4.85	-73.23
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC2CCC(C1)[NH+]2C	REAL300030742406	0	58	0.0	-69.53	418.07	6.32	-63.21
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CN1C=CSC1=[NH2+]	REAL300030742452	0	44	0.0	-71.83	368.44	3.50	-68.33
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[N@H+](C)CCO	REAL300030742465	0	51	0.0	-78.25	391.49	1.28	-76.97
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[N@@H+](C)CCO	REAL300030742465	1	51	0.0	-72.52	389.39	1.39	-71.13
C[C@@H](C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030742466	0	47	0.0	-46.45	334.67	3.88	-42.57
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CCCC[N@@H+]1C	REAL300030742470	0	51	0.0	-49.21	360.87	5.73	-43.48
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CCCC[N@H+]1C	REAL300030742470	1	51	0.0	-70.12	367.84	4.43	-65.69
CC1CN2CC[N@@H+]1CC2C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030742480	0	54	0.0	-64.30	379.99	2.49	-61.81
CC1CN2CC[N@H+]1CC2C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030742480	1	54	0.0	-63.13	377.88	2.41	-60.72
COC1C[N@@H+]2CCCC2(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030742529	0	56	0.0	-82.41	406.82	3.83	-78.58
COC1C[N@H+]2CCCC2(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030742529	1	56	0.0	-48.11	387.91	5.26	-42.85
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CC2=C[NH+]=CN2C=C1	REAL300030742545	0	49	0.0	-70.62	393.66	7.58	-63.04
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)C1CCSC1	REAL300030742578	0	52	0.0	-57.01	389.01	6.03	-50.98
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)C1CCSC1	REAL300030742578	1	52	0.0	-80.07	399.57	5.45	-74.62
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCC1	REAL300030742579	1	45	0.0	-75.94	351.14	3.67	-72.27
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=NC(C[NH+](C)C)=C1	REAL300030742617	1	53	0.0	-70.57	411.71	4.68	-65.89
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C=C1CC[N@H+](C)C1	REAL300030742619	0	49	0.0	-75.58	377.38	4.91	-70.67
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C=C1CC[N@@H+](C)C1	REAL300030742619	1	49	0.0	-75.09	377.36	4.90	-70.19
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1C[NH+](C2CCCCC2)C1	REAL300030742646	0	58	0.0	-80.96	431.92	6.52	-74.44
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)COCC[NH+](C)C	REAL300030742664	0	51	0.0	-76.41	396.79	4.40	-72.01
CCCCC[N@H+](C)CCC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030742671	0	59	0.0	-75.16	443.84	6.92	-68.24
CCCCC[N@@H+](C)CCC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030742671	1	59	0.0	-80.48	445.64	6.81	-73.67
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300030742681	0	55	0.0	-63.95	404.62	5.96	-57.99
C=CCC(C)(C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030742693	0	54	0.0	-72.36	359.17	5.92	-66.44
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(O)CC[S+](C)C	REAL300030742698	0	50	0.0	-73.44	399.14	2.70	-70.74
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CC(O)C[N@@H+]1C	REAL300030742733	0	52	0.0	-81.28	378.86	0.91	-80.37
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CN(C)CC[N@H+](C)C1	REAL300030742748	0	56	0.0	-49.94	387.28	4.19	-45.75
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CN(C)CC[N@@H+](C)C1	REAL300030742748	1	56	0.0	-49.94	387.28	4.19	-45.75
CC(C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300030742749	0	55	0.0	-76.13	410.53	2.12	-74.01
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1(O)CCC[N@H+](C)C1	REAL300030742774	0	55	0.0	-54.11	382.43	3.87	-50.24
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1(O)CCC[N@@H+](C)C1	REAL300030742774	1	55	0.0	-54.11	382.43	3.87	-50.24
CC1CN(CC(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030742778	0	48	0.0	-76.09	371.11	4.38	-71.71
CC1C[NH+](CC(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030742778	1	48	0.0	-76.09	371.11	4.38	-71.71
CN(CCO)CC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030742808	0	48	0.0	-53.19	356.61	1.28	-51.91
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)CCO	REAL300030742808	1	48	0.0	-76.30	367.58	1.00	-75.30
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)CCO	REAL300030742808	1	48	0.0	-76.30	367.58	1.00	-75.30
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C=C1CC2CCC(C1)[NH+]2C	REAL300030742831	0	56	0.0	-70.63	411.02	6.04	-64.59
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1C[N@@H+]2CCN1CCC2	REAL300030742836	0	54	0.0	-63.66	375.75	3.10	-60.56
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1C[N@H+]2CCN1CCC2	REAL300030742836	1	54	0.0	-63.66	375.75	3.10	-60.56
CC[N@@H+]1CCCC(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030742845	0	54	0.0	-76.67	398.34	5.28	-71.39
CC[N@H+]1CCCC(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030742845	1	54	0.0	-76.67	398.34	5.28	-71.39
CC(CC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030742847	0	53	0.0	-80.36	396.34	5.24	-75.12
CC[N@H+](C)CC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030742863	0	47	0.0	-75.19	357.83	3.89	-71.30
CC[N@@H+](C)CC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030742863	1	47	0.0	-51.12	346.22	4.52	-46.60
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CCC[N@@H+]1CCCC2	REAL300030742892	0	55	0.0	-57.93	367.25	6.23	-51.70
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CCC[N@H+]1CCCC2	REAL300030742892	1	55	0.0	-52.74	371.71	5.44	-47.30
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CCC[N@@H+]1CC=CC2	REAL300030742902	0	53	0.0	-56.41	370.13	5.09	-51.32
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CCC[N@H+]1CC=CC2	REAL300030742902	1	53	0.0	-71.12	381.11	4.94	-66.18
CC[N@H+](CC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030742930	0	51	0.0	-67.97	387.84	5.37	-62.60
CC[N@@H+](CC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030742930	1	51	0.0	-72.72	386.89	5.27	-67.45
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1([NH+](C)C)CCCSC1	REAL300030742933	0	55	0.0	-61.03	373.12	5.85	-55.18
CC[NH+](CC)CCC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030742955	0	53	0.0	-78.69	392.66	4.86	-73.83
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C=C1CC[NH+](C)CC1	REAL300030742974	0	52	0.0	-77.10	394.45	5.54	-71.56
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CC(C)(C)C1	REAL300030742989	1	51	0.0	-72.12	390.38	4.90	-67.22
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCCC[NH+]1CCCCC1	REAL300030742995	0	60	0.0	-72.77	446.27	7.41	-65.36
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300030743030	0	52	0.0	-70.82	394.99	1.79	-69.03
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+]1CCC(C)(O)C1	REAL300030743030	1	52	0.0	-73.82	396.93	1.65	-72.17
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C=CC[NH+](C)C	REAL300030743043	0	48	0.0	-75.69	376.33	4.59	-71.10
CC(OCC[NH+](C)C)C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030743070	0	54	0.0	-45.63	395.21	5.78	-39.85
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCOCC[NH+](C)C	REAL300030743081	0	54	0.0	-79.55	417.87	4.09	-75.46
COCC[N@H+](C)CC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030743082	1	51	0.0	-76.73	389.83	3.39	-73.34
COCC[N@@H+](C)CC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030743082	1	51	0.0	-52.73	378.86	3.68	-49.05
COCCCC[N@H+](C)CCC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030743114	0	60	0.0	-78.04	456.00	5.21	-72.83
COCCCC[N@@H+](C)CCC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030743114	1	60	0.0	-83.55	457.81	5.10	-78.45
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1([NH+](C)C)CCCC1	REAL300030743140	0	54	0.0	-59.77	362.32	5.43	-54.34
CC(CCC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030743143	0	53	0.0	-74.34	393.37	5.09	-69.25
CC[N@@H+]1CCC1C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030743153	1	48	0.0	-50.86	354.77	4.53	-46.33
CC[N@H+]1CCC1C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030743153	1	48	0.0	-49.48	350.54	4.41	-45.07
CC(C)[N@@H+]1CCCC(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030743166	0	57	0.0	-51.70	405.34	6.50	-45.20
CC(C)[N@H+]1CCCC(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030743166	1	57	0.0	-51.87	397.00	8.03	-43.84
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+]1CCCC1CO	REAL300030743181	0	52	0.0	-70.49	390.02	1.40	-69.09
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+]1CCCC1CO	REAL300030743181	1	52	0.0	-75.07	395.17	1.73	-73.34
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC2CCCC[N@@H+]2C1	REAL300030743208	0	55	0.0	-54.50	394.56	7.91	-46.59
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC2CCCC[N@H+]2C1	REAL300030743208	1	55	0.0	-76.61	406.31	5.90	-70.71
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CC[NH+](C)CC1	REAL300030743217	0	54	0.0	-73.84	387.80	4.80	-69.04
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(C[NH+](C)C)=CN1	REAL300030743223	0	52	0.0	-75.14	400.91	5.01	-70.13
CC(C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300030743244	0	55	0.0	-57.05	388.34	2.48	-54.57
C=CCC(C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030743260	0	51	0.0	-75.55	385.57	4.84	-70.71
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300030743278	0	54	0.0	-71.28	395.22	4.79	-66.49
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC(C)(C)C[N@H+]1C	REAL300030743278	1	54	0.0	-71.56	397.35	5.05	-66.51
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCCCC[NH+](C)C	REAL300030743283	0	56	0.0	-80.77	427.91	6.22	-74.55
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CC2CC2C1	REAL300030743294	0	49	0.0	-76.44	376.93	5.18	-71.26
CC1C[N@@H+]2CCN1C(C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030743331	0	54	0.0	-76.31	372.01	3.80	-72.51
CC1C[N@H+]2CCN1C(C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030743331	1	54	0.0	-85.55	390.07	1.98	-83.57
CCCC(C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030743332	0	53	0.0	-72.04	390.92	5.17	-66.87
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)[NH+](C)C	REAL300030743337	0	50	0.0	-83.30	360.09	4.30	-79.00
CC[NH+](CC)CCSCC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030743378	0	57	0.0	-83.61	437.25	6.28	-77.33
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCC[N@@H+]1C	REAL300030743390	0	51	0.0	-47.06	366.51	5.39	-41.67
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCC[N@H+]1C	REAL300030743390	1	51	0.0	-70.29	367.42	4.46	-65.83
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CC[N@H+](C)CC1	REAL300030743442	0	52	0.0	-71.27	397.91	5.75	-65.52
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CC[N@@H+](C)CC1	REAL300030743442	1	52	0.0	-69.46	398.12	5.75	-63.71
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1([NH+]2CCCC2)CC1	REAL300030743452	0	55	0.0	-68.82	404.15	6.15	-62.67
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)C1CCC[N@H+](C)C1	REAL300030743511	0	60	0.0	-75.02	412.60	5.49	-69.53
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)C1CCC[N@@H+](C)C1	REAL300030743511	1	60	0.0	-75.02	412.60	5.49	-69.53
CN(C)CC1=CC=C(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030743516	0	51	0.0	-77.44	401.41	5.28	-72.16
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300030743516	1	51	0.0	-77.44	401.41	5.28	-72.16
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C=CC[NH+]1CCCC1	REAL300030743540	0	52	0.0	-74.30	400.01	5.67	-68.63
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[NH+](C2CC2)CC1	REAL300030743567	0	55	0.0	-70.07	390.98	7.92	-62.15
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[NH+]1CCCC1	REAL300030743596	0	51	0.0	-73.02	386.58	5.05	-67.97
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CC(C1)C[N@@H+]2C	REAL300030743654	0	49	0.0	-81.33	365.93	4.59	-76.74
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+]1CC2CCC1C2	REAL300030743670	0	52	0.0	-72.51	383.67	5.19	-67.32
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+]1CC2CCC1C2	REAL300030743670	1	52	0.0	-72.51	383.67	5.19	-67.32
CC(C)[NH+]1CCC(CC(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030743682	0	60	0.0	-68.04	436.76	6.95	-61.09
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C=C1C[NH+]2CCC1CC2	REAL300030743733	0	53	0.0	-69.80	395.39	5.63	-64.17
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CN1CC2C=CC1C2	REAL300030743745	0	50	0.0	-49.09	359.58	5.39	-43.70
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+]1CC2C=CC1C2	REAL300030743745	1	50	0.0	-67.33	378.52	5.23	-62.10
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+]1CC2C=CC1C2	REAL300030743745	1	50	0.0	-67.33	378.52	5.23	-62.10
CC(C[NH+](C)C)C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030743810	0	50	0.0	-57.44	355.73	6.32	-51.12
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CCCC[N@@H+]1C	REAL300030743912	0	54	0.0	-77.67	386.18	6.28	-71.39
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CCCC[N@H+]1C	REAL300030743912	1	54	0.0	-53.66	381.71	5.88	-47.78
CC1=C2C=C(C(=O)N(C)C[C@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030743935	1	49	0.0	-82.83	395.39	7.15	-75.68
CC(C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300030743936	0	51	0.0	-53.16	370.03	5.88	-47.28
CC1CC[N@@H+]1CC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030743940	1	48	0.0	-73.34	366.84	4.05	-69.29
CC1CC[N@H+]1CC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030743940	1	48	0.0	-74.74	370.46	4.22	-70.52
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC(O)C[NH+](C)C	REAL300030743945	0	51	0.0	-83.94	392.36	2.25	-81.69
CC1C[N@H+](C)CC(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030743983	1	52	0.0	-93.16	387.28	3.83	-89.33
CC1C[N@@H+](C)CC(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030743983	1	52	0.0	-80.04	386.56	4.27	-75.77
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[NH+]1CCC(O)CC1	REAL300030743995	0	55	0.0	-80.88	416.13	2.38	-78.50
CCC[N@@H+]1CCCCC1C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030743998	0	57	0.0	-65.41	418.85	6.27	-59.14
CCC[N@H+]1CCCCC1C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030743998	1	57	0.0	-52.23	398.85	6.53	-45.70
CC[NH+]1CCN(CCC(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030744003	0	59	0.0	-81.34	439.65	3.95	-77.39
CCN1CC[NH+](CCC(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030744003	1	59	0.0	-79.35	439.15	3.89	-75.46
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300030744006	0	58	0.0	-79.80	406.48	5.78	-74.02
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300030744006	1	58	0.0	-66.03	410.26	6.57	-59.46
CC(C)C[NH+]1CCC(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030744054	0	60	0.0	-83.86	437.14	6.77	-77.09
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CN1CCC([NH+](C)C)CC1	REAL300030744080	0	59	0.0	-55.69	415.09	4.19	-51.50
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300030744102	0	51	0.0	-62.77	377.68	5.47	-57.30
CC(CC[NH+](C)C)C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030744110	0	53	0.0	-56.59	383.65	6.97	-49.62
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300030744144	0	55	0.0	-70.71	409.80	2.59	-68.12
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O	REAL300030744144	1	55	0.0	-69.74	411.34	2.68	-67.06
C#CC[N@H+]1CCCCC1C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030744153	1	53	0.0	-67.27	397.44	5.83	-61.44
C#CC[N@@H+]1CCCCC1C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030744153	1	53	0.0	-73.38	406.22	6.01	-67.37
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CN1CC[NH+](C)CC1	REAL300030744159	1	53	0.0	-63.66	390.07	3.40	-60.26
CC[NH+]1CCN(CC(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030744168	0	56	0.0	-61.86	407.82	4.08	-57.78
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CSC(N)=[NH2+]	REAL300030744200	0	42	0.0	-72.98	347.17	0.38	-72.60
CC[N@@H+]1CCOCC1CC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030744248	0	55	0.0	-78.69	404.05	3.58	-75.11
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1(CC[NH+](C)C)CCCC1	REAL300030744267	0	60	0.0	-62.92	421.76	6.76	-56.16
CC1CCCC(C)[NH+]1CCC(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030744269	0	60	0.0	-69.94	429.50	6.48	-63.46
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC([NH+](C)C)CC1	REAL300030744272	0	57	0.0	-71.03	408.43	5.67	-65.36
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1(CC[NH+](C)C)CC1	REAL300030744273	0	54	0.0	-76.69	410.51	5.77	-70.92
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300030744277	0	57	0.0	-70.83	406.17	5.76	-65.07
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC=CC[N@@H+]1C	REAL300030744278	0	52	0.0	-82.00	391.11	5.33	-76.67
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC=CC[N@H+]1C	REAL300030744278	1	52	0.0	-82.00	391.11	5.33	-76.67
C[C@@H](OCC[NH+](C)C)C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030744308	0	54	0.0	-44.71	394.53	5.72	-38.99
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC2CCC(C1)[NH+]2C	REAL300030744342	0	55	0.0	-79.73	363.70	4.45	-75.28
CC(C(=O)N(C)C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300030744495	1	52	0.0	-76.08	395.39	5.16	-70.92
CCC1C[NH+](CC(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030744498	1	51	0.0	-76.81	393.71	5.10	-71.71
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1C[NH+](C2CCOCC2)C1	REAL300030744500	0	56	0.0	-59.59	411.12	4.71	-54.88
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1([NH+]2CCCC2)CCC1	REAL300030744502	0	55	0.0	-78.11	394.70	5.57	-72.54
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300030744513	1	48	0.0	-67.59	351.12	4.67	-62.92
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[N@H+]1CCC(F)C1	REAL300030744523	1	51	0.0	-83.97	394.27	5.05	-78.92
COC1C[N@@H+](C)C(C)(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030744532	1	55	0.0	-78.67	400.94	3.27	-75.40
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[NH+]1CCCCCC1	REAL300030744545	0	57	0.0	-80.30	415.29	5.95	-74.35
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCCCC1	REAL300030744547	0	51	0.0	-75.71	383.87	5.20	-70.51
CC1C(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030744557	0	51	0.0	-75.08	370.42	6.07	-69.01
CC1C(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030744557	1	51	0.0	-80.16	381.23	4.90	-75.26
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCC1CCCC[N@@H+]1C	REAL300030744560	0	57	0.0	-75.92	421.22	6.17	-69.75
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCC1CCCC[N@H+]1C	REAL300030744560	1	57	0.0	-76.32	420.89	6.15	-70.17
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[N@@H+]2CCOCC12	REAL300030744596	0	53	0.0	-52.48	374.80	3.75	-48.73
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[N@H+]2CCOCC12	REAL300030744596	1	53	0.0	-61.13	385.86	3.98	-57.15
CC1=[NH+]C=C2C=CC(C(=O)N(C)C[C@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)=CN21	REAL300030744604	0	49	0.0	-79.33	394.80	6.29	-73.04
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1COCCN1C	REAL300030744624	0	52	0.0	-85.46	390.22	3.07	-82.39
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1COCC[N@@H+]1C	REAL300030744624	1	52	0.0	-77.68	389.03	3.22	-74.46
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1COCC[N@H+]1C	REAL300030744624	1	52	0.0	-85.46	390.22	3.07	-82.39
CC1=C(C)[NH+]=C(CCC(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)N1	REAL300030744635	1	52	0.0	-67.28	409.29	4.68	-62.60
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCN1CC1=CC=CC=C1	REAL300030744650	0	55	0.0	-51.31	404.35	7.20	-44.11
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300030744650	1	55	0.0	-76.73	421.38	6.75	-69.98
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[N@H+]1CC1=CC=CC=C1	REAL300030744650	1	55	0.0	-51.31	404.35	7.20	-44.11
CC(C)C[N@@H+]1CCCC(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030744654	0	60	0.0	-67.81	427.25	6.90	-60.91
CC(C)C[N@H+]1CCCC(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030744654	1	60	0.0	-71.35	437.63	6.89	-64.46
CN(C[C@H]1CCCN1C(=O)C1CCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030744821	0	48	0.0	-46.28	337.44	4.04	-42.24
CN(C[C@H]1CCCN1C(=O)C1CCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030744821	1	48	0.0	-73.57	359.71	3.82	-69.75
CC1=[NH+]C=CN1CCCC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030745015	1	52	0.0	-68.16	411.05	6.35	-61.81
CN(C[C@H]1CCCN1C(=O)CCCC[NH+]1CCOCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030745019	1	58	0.0	-74.85	438.36	5.03	-69.82
CN(C[C@H]1CCCN1C(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030745023	0	54	0.0	-74.09	400.67	5.93	-68.16
CN(C[C@H]1CCCN1C(=O)CC[NH+]1CCOCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030745024	1	52	0.0	-74.94	395.35	3.45	-71.49
CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030745043	0	62	0.0	-71.94	458.06	7.34	-64.60
CN(C[C@H]1CCCN1C(=O)C1=CC2=C[NH+]=CN2C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030745071	1	46	0.0	-73.11	352.75	5.94	-67.17
CN(C[C@H]1CCCN1C(=O)C1CCCC([NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030745136	0	57	0.0	-56.17	388.00	5.40	-50.77
CN(C[C@H]1CCCN1C(=O)CC1CC[N@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030745141	0	51	0.0	-79.23	387.24	4.94	-74.29
CN(C[C@H]1CCCN1C(=O)CC1CC[N@@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030745141	1	51	0.0	-80.48	385.60	4.86	-75.62
CCC(C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030745158	0	50	0.0	-66.86	365.93	4.29	-62.57
CN(C[C@H]1CCCN1C(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030745167	1	49	0.0	-80.45	397.59	5.06	-75.39
CC1CC2CCC(C(=O)N3CCC[C@@H]3CN(C)C(=O)C3=CC(=O)[N-]O3)C[N@@H+]2C1	REAL300030745210	0	58	0.0	-42.17	400.72	7.45	-34.72
CC1CC2CCC(C(=O)N3CCC[C@@H]3CN(C)C(=O)C3=CC(=O)[N-]O3)C[N@H+]2C1	REAL300030745210	1	58	0.0	-56.92	398.19	6.39	-50.53
CN(C[C@H]1CCCN1C(=O)CCCC[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030745239	0	53	0.0	-72.80	405.45	5.57	-67.23
CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030745260	0	53	0.0	-73.02	401.73	5.41	-67.61
CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030745260	1	53	0.0	-73.08	401.73	5.41	-67.67
CCC[N@H+](C)CC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030745264	0	50	0.0	-70.58	379.41	4.82	-65.76
CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030745264	1	50	0.0	-70.37	379.48	4.84	-65.53
CN(C[C@H]1CCCN1C(=O)C12CC[N@H+](C1)CCC2)C(=O)C1=CC(=O)[N-]O1	REAL300030745287	0	52	0.0	-72.30	373.12	4.25	-68.05
CN(C[C@H]1CCCN1C(=O)C12CC[N@@H+](C1)CCC2)C(=O)C1=CC(=O)[N-]O1	REAL300030745287	1	52	0.0	-71.90	374.71	4.27	-67.63
CCCCCC[N@H+](C)CC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030745326	0	59	0.0	-71.96	443.86	7.16	-64.80
CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030745326	1	59	0.0	-71.68	443.97	7.17	-64.51
CC1CC[NH+](CC(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030745372	0	54	0.0	-70.74	402.65	5.87	-64.87
CN(C[C@H]1CCCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030745397	1	49	0.0	-76.61	394.20	4.43	-72.18
CN(C[C@H]1CCCN1C(=O)COC1CC[NH+](C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030745404	0	55	0.0	-76.08	420.04	5.53	-70.55
CN(C[C@H]1CCCN1C(=O)C1CC2CCCC[N@@H+]2C1)C(=O)C1=CC(=O)[N-]O1	REAL300030745462	0	55	0.0	-69.25	404.77	6.01	-63.24
CN(C[C@H]1CCCN1C(=O)C1CC2CCCC[N@H+]2C1)C(=O)C1=CC(=O)[N-]O1	REAL300030745462	1	55	0.0	-72.64	403.56	5.91	-66.73
CN(C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030745474	0	51	0.0	-70.13	389.06	5.00	-65.13
CC1=[NH+]C=C2CCC(C(=O)N3CCC[C@@H]3CN(C)C(=O)C3=CC(=O)[N-]O3)CN21	REAL300030745475	1	53	0.0	-71.40	404.58	5.67	-65.73
CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030745485	0	57	0.0	-80.83	414.96	5.81	-75.02
CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030745519	0	50	0.0	-72.24	380.22	4.65	-67.59
CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030745519	1	50	0.0	-72.37	380.22	4.67	-67.70
CN(C[C@H]1CCCN1C(=O)C1C[NH+]2CCC1CC2)C(=O)C1=CC(=O)[N-]O1	REAL300030745564	0	52	0.0	-82.58	377.99	4.82	-77.76
CN(C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030745646	0	51	0.0	-74.86	381.99	4.85	-70.01
CN(C[C@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030745733	0	58	0.0	-58.36	416.07	7.29	-51.07
CC[NH+](CC)CC(F)C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030745776	0	53	0.0	-76.43	400.62	5.12	-71.31
CC(C)C[N@@H+]1CCC(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030745810	0	57	0.0	-70.74	422.92	6.22	-64.52
CC(C)C[N@H+]1CCC(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030745810	1	57	0.0	-75.50	423.37	6.13	-69.37
CCC(C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300030745839	0	56	0.0	-67.57	401.53	5.49	-62.08
CC1CCC[N@@H+]1CC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030745864	0	51	0.0	-66.72	379.67	4.77	-61.95
CC1CCC[N@H+]1CC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030745864	1	51	0.0	-71.98	385.93	5.03	-66.95
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030745941	1	55	0.0	-65.03	425.58	6.60	-58.43
CC(C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300030745945	0	57	0.0	-71.28	409.02	5.74	-65.54
CC(C)[N@@H+]1CCCC1C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030745976	0	54	0.0	-71.63	391.68	5.67	-65.96
CC(C)[N@H+]1CCCC1C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030745976	1	54	0.0	-65.46	397.05	5.36	-60.10
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030745985	0	57	0.0	-60.70	398.75	6.93	-53.77
CC(C)[N@H+]1CCCC1CC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030745985	1	57	0.0	-51.25	405.39	6.53	-44.72
CC1CC[N@H+](CC(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030746031	0	51	0.0	-72.53	387.01	4.92	-67.61
CC1CC[N@@H+](CC(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030746031	1	51	0.0	-69.54	385.88	5.16	-64.38
CN(C[C@H]1CCCN1C(=O)C1(F)CC[N@@H+](C(C)(C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030746032	0	57	0.0	-47.00	395.79	5.68	-41.32
CN(C[C@H]1CCCN1C(=O)C1(F)CC[N@H+](C(C)(C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030746032	1	57	0.0	-71.08	418.24	5.48	-65.60
CC1=[NH+]C=C2CC(C(=O)N3CCC[C@@H]3CN(C)C(=O)C3=CC(=O)[N-]O3)CCN21	REAL300030746033	1	53	0.0	-61.17	393.94	6.78	-54.39
CN(C[C@H]1CCCN1C(=O)C[N@@H+]1CCC(C)(C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030746036	0	54	0.0	-74.12	405.80	5.46	-68.66
CN(C[C@H]1CCCN1C(=O)C[N@H+]1CCC(C)(C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030746036	1	54	0.0	-74.27	406.29	5.54	-68.73
CN(C[C@H]1CCCN1C(=O)C[N@H+](C)CC(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030746037	0	56	0.0	-69.94	411.58	5.98	-63.96
CN(C[C@H]1CCCN1C(=O)C[N@@H+](C)CC(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030746037	1	56	0.0	-70.45	407.62	5.81	-64.64
CC[C@@H](C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030746046	0	50	0.0	-66.33	365.99	4.26	-62.07
CC(COCC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCC1	REAL300030746053	0	58	0.0	-68.01	438.39	6.17	-61.84
CN(C[C@H]1CCCN1C(=O)CCN(C)C1=CC=[NH+]C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030746198	0	53	0.0	-68.42	414.86	5.12	-63.30
CC1=[NH+]C=CN1CC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030746306	1	46	0.0	-66.52	369.48	5.01	-61.51
CC(C[NH+]1CCOCC1)C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030746308	1	55	0.0	-50.65	391.77	4.35	-46.30
CN(C[C@H]1CCCN1C(=O)CCC[NH+]1CCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030746326	0	57	0.0	-71.60	425.61	6.67	-64.93
CN(C[C@H]1CCCN1C(=O)C1=NOC(C[NH+](C)C)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030746341	1	50	0.0	-77.66	397.07	4.64	-73.02
CC1=C(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300030746343	0	49	0.0	-71.10	393.34	7.17	-63.93
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030746389	1	52	0.0	-65.03	405.83	6.14	-58.89
CN(C[C@H]1CCCN1C(=O)C1CCCC2CCC[N@@H+]21)C(=O)C1=CC(=O)[N-]O1	REAL300030746436	0	55	0.0	-63.06	400.85	5.94	-57.12
CN(C[C@H]1CCCN1C(=O)C1CCCC2CCC[N@H+]21)C(=O)C1=CC(=O)[N-]O1	REAL300030746436	1	55	0.0	-68.79	405.57	6.01	-62.78
CC[N@@H+]1CCOC(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030746467	1	52	0.0	-70.12	381.93	4.51	-65.61
CC[N@H+]1CCOC(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030746467	1	52	0.0	-71.53	384.12	4.10	-67.43
CN(C[C@H]1CCCN1C(=O)C1=CN2C=[NH+]C=C2C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030746529	0	46	0.0	-70.08	352.59	5.95	-64.13
CC1=C[NH+]=CN1CC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030746534	1	46	0.0	-68.69	369.84	5.75	-62.94
CN(C[C@H]1CCCN1C(=O)C1=CN(CC[NH+](C)C)N=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030746539	0	54	0.0	-77.82	419.22	4.49	-73.33
CN(C[C@H]1CCCN1C(=O)C1=NN(CC[NH+](C)C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030746552	0	54	0.0	-93.88	422.22	5.01	-88.87
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030746559	0	51	0.0	-79.23	375.78	4.52	-74.71
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030746559	1	51	0.0	-60.62	363.62	4.91	-55.71
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030746561	1	55	0.0	-64.98	426.44	6.64	-58.34
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030746564	0	54	0.0	-72.04	393.25	4.91	-67.13
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030746564	1	54	0.0	-71.08	401.48	5.29	-65.79
CC1CCC(C)[NH+]1CC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030746580	0	54	0.0	-66.21	396.85	5.26	-60.95
CN(C[C@H]1CCCN1C(=O)CCC[NH+]1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030746587	0	54	0.0	-71.26	408.91	5.90	-65.36
CN(C[C@H]1CCCN1C(=O)C1=CC(C[NH+](C)C)=CC=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030746588	0	54	0.0	-51.18	403.15	7.06	-44.12
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030746594	0	53	0.0	-75.67	407.13	6.06	-69.61
CN(C[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030746595	0	54	0.0	-71.63	403.63	5.83	-65.80
CN(C[C@H]1CCCN1C(=O)CN1C=[NH+]C2=C1CCCC2)C(=O)C1=CC(=O)[N-]O1	REAL300030746613	1	53	0.0	-67.73	411.68	7.47	-60.26
CN(C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030746646	0	60	0.0	-78.67	376.82	6.28	-72.39
CN(C[C@H]1CCCN1C(=O)CC[N@H+](C)C1CCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030746650	0	60	0.0	-73.25	438.55	7.04	-66.21
CN(C[C@H]1CCCN1C(=O)CC[N@@H+](C)C1CCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030746650	1	60	0.0	-73.05	438.54	7.04	-66.01
CN(C[C@H]1CCCN1C(=O)CC1([NH+](C)C)CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030746653	0	57	0.0	-81.42	403.01	5.69	-75.73
CN(C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030746850	0	51	0.0	-68.45	386.43	5.40	-63.05
CN(C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030746850	1	51	0.0	-67.92	386.58	5.38	-62.54
CC(C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300030746875	0	57	0.0	-47.14	393.00	6.17	-40.97
CN(C[C@H]1CCCN1C(=O)CCCC[NH+]1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030746894	0	57	0.0	-71.48	431.41	6.76	-64.72
CN(C[C@H]1CCCN1C(=O)C[N@H+](C)CC1=CC=CC=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030746897	1	54	0.0	-74.71	416.92	6.99	-67.72
CN(C[C@H]1CCCN1C(=O)C[N@@H+](C)CC1=CC=CC=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030746897	1	54	0.0	-75.09	416.79	7.00	-68.09
CN(C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030746912	0	51	0.0	-74.86	381.99	4.85	-70.01
CN(C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030746964	0	48	0.0	-66.79	362.78	4.16	-62.63
CN(C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030746964	1	48	0.0	-73.46	361.07	3.77	-69.69
CN(C[C@H]1CCCN1C(=O)CCC1CCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030746995	0	54	0.0	-81.77	404.89	5.65	-76.12
CN(C[C@H]1CCCN1C(=O)CCC1CCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030746995	1	54	0.0	-75.90	403.79	5.33	-70.57
CN(C[C@H]1CCCN1C(=O)C1CCC2CCCC[N@@H+]21)C(=O)C1=CC(=O)[N-]O1	REAL300030747011	0	55	0.0	-69.48	405.87	6.05	-63.43
CN(C[C@H]1CCCN1C(=O)C1CCC2CCCC[N@H+]21)C(=O)C1=CC(=O)[N-]O1	REAL300030747011	1	55	0.0	-66.21	400.66	5.85	-60.36
CCC[N@@H+]1CCCC(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030747088	0	57	0.0	-43.96	399.74	6.78	-37.18
CCC[N@H+]1CCCC(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030747088	1	57	0.0	-49.97	405.95	6.55	-43.42
CC(C)[N@@H+]1CCOC(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030747104	1	55	0.0	-68.46	401.01	4.59	-63.87
CC(C)[N@H+]1CCOC(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030747104	1	55	0.0	-63.48	390.57	4.95	-58.53
CN(C[C@H]1CCCN1C(=O)C[NH+]1CCC(CO)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030747178	0	55	0.0	-71.84	414.58	2.56	-69.28
CN(C[C@H]1CCCN1C(=O)C=C1CC2CCC(C1)[NH+]2C)C(=O)C1=CC(=O)[N-]O1	REAL300030747215	0	56	0.0	-69.93	413.59	6.31	-63.62
CC1C(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030747233	0	51	0.0	-77.22	384.90	4.78	-72.44
CC1C(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030747233	1	51	0.0	-75.69	388.10	4.80	-70.89
CN(C[C@H]1CCCN1C(=O)CCC1CCCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030747237	0	57	0.0	-55.52	395.11	6.42	-49.10
CN(C[C@H]1CCCN1C(=O)CCC1CCCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030747237	1	57	0.0	-80.37	414.74	6.02	-74.35
CN(C[C@H]1CCCN1C(=O)C1=CC2=C(CCC2)[NH+]=C1N)C(=O)C1=CC(=O)[N-]O1	REAL300030747270	1	51	0.0	-62.02	392.05	4.10	-57.92
CN(C[C@H]1CCCN1C(=O)C1CC[N@@H+]1C(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030747336	0	54	0.0	-64.02	353.36	4.75	-59.27
CN(C[C@H]1CCCN1C(=O)C1CC[N@H+]1C(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030747336	1	54	0.0	-44.78	365.58	5.51	-39.27
CN(C[C@H]1CCCN1C(=O)C1CCN(C2=CC=[NH+]C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030747354	0	54	0.0	-81.37	412.67	3.75	-77.62
C[C@@H](C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030747359	0	47	0.0	-61.13	335.03	4.18	-56.95
CN(C[C@H]1CCCN1C(=O)C1=CC=NC(C[NH+](C)C)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030747379	1	53	0.0	-68.60	395.95	4.40	-64.20
C=CCC(C)(C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030747385	0	54	0.0	-59.95	368.49	5.04	-54.91
CC[NH+](CC)CCSCC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030747418	0	57	0.0	-73.43	438.75	6.43	-67.00
CN(C[C@H]1CCCN1C(=O)C1=C(N)C2=CC=CC=C2[NH+]=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030747419	1	50	0.0	-63.98	390.51	3.52	-60.46
CN(C[C@H]1CCCN1C(=O)CC[NH+]1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030747424	0	51	0.0	-71.66	388.46	5.15	-66.51
CN(C[C@H]1CCCN1C(=O)C[N@H+](C)CCO)C(=O)C1=CC(=O)[N-]O1	REAL300030747433	1	48	0.0	-70.81	368.36	0.85	-69.96
CN(C[C@H]1CCCN1C(=O)C[N@@H+](C)CCO)C(=O)C1=CC(=O)[N-]O1	REAL300030747433	1	48	0.0	-70.89	368.15	0.81	-70.08
CN(C[C@H]1CCCN1C(=O)C1C[N@@H+]2CCN1CCC2)C(=O)C1=CC(=O)[N-]O1	REAL300030747471	0	54	0.0	-76.96	386.28	2.57	-74.39
CN(C[C@H]1CCCN1C(=O)C1C[N@H+]2CCN1CCC2)C(=O)C1=CC(=O)[N-]O1	REAL300030747471	1	54	0.0	-87.37	383.34	2.67	-84.70
CC(C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300030747498	1	52	0.0	-40.67	377.75	6.56	-34.11
CN(C[C@H]1CCCN1C(=O)CC1=CC[N@H+](C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030747542	0	52	0.0	-73.20	399.73	5.62	-67.58
CN(C[C@H]1CCCN1C(=O)CC1=CC[N@@H+](C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030747542	1	52	0.0	-71.07	400.26	5.60	-65.47
CN(C[C@H]1CCCN1C(=O)C(O)CC[S+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030747557	0	50	0.0	-86.54	401.00	2.60	-83.94
CN(C[C@H]1CCCN1C(=O)C1CN(C)CC[N@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030747596	0	56	0.0	-68.21	407.31	3.24	-64.97
CN(C[C@H]1CCCN1C(=O)C1CN(C)CC[N@@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030747596	1	56	0.0	-44.12	392.44	3.61	-40.51
CC(C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300030747597	0	55	0.0	-74.46	408.78	2.38	-72.08
CC(C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)[N@H+]1CCCC(O)C1	REAL300030747597	1	55	0.0	-67.38	406.04	2.44	-64.94
CN(C[C@H]1CCCN1C(=O)CC1(O)CCC[N@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030747636	0	55	0.0	-76.58	398.42	3.60	-72.98
CN(C[C@H]1CCCN1C(=O)CC1(O)CCC[N@@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030747636	1	55	0.0	-70.28	407.47	3.86	-66.42
CC1C[NH+](CC(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030747642	1	48	0.0	-70.32	371.63	4.45	-65.87
CC[N@@H+]1CCCC(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030747648	0	54	0.0	-41.18	373.74	5.75	-35.43
CC[N@H+]1CCCC(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030747648	1	54	0.0	-59.31	377.72	5.46	-53.85
CN(C[C@H]1CCCN1C(=O)CC1=CC=C[NH+]=C1N)C(=O)C1=CC(=O)[N-]O1	REAL300030747659	0	47	0.0	-66.54	374.31	3.24	-63.30
CN(C[C@H]1CCCN1C(=O)C1CCC[N@@H+]1C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030747672	0	52	0.0	-61.12	366.96	6.28	-54.84
CN(C[C@H]1CCCN1C(=O)C1CCC[N@H+]1C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030747672	1	52	0.0	-67.82	389.66	5.18	-62.64
CN(C[C@H]1CCCN1C(=O)C=CC[NH+]1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030747722	0	52	0.0	-80.44	401.91	5.67	-74.77
CN(C[C@H]1CCCN1C(=O)C1CC[NH+](C2CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030747747	0	55	0.0	-80.49	403.48	5.73	-74.76
CC[N@H+](C)CC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030747792	0	47	0.0	-70.14	358.78	4.04	-66.10
CN(C[C@H]1CCCN1C(=O)C[N@@H+]1CC2C=CC1C2)C(=O)C1=CC(=O)[N-]O1	REAL300030747857	1	50	0.0	-70.59	382.11	5.25	-65.34
CN(C[C@H]1CCCN1C(=O)C[N@H+]1CC2C=CC1C2)C(=O)C1=CC(=O)[N-]O1	REAL300030747857	1	50	0.0	-70.20	378.82	5.12	-65.08
CC1=CC=C(NCCC(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)[NH+]=C1	REAL300030747880	1	53	0.0	-66.68	418.99	4.84	-61.84
CN(C[C@H]1CCCN1C(=O)C1C[NH+]2CCN1CC2)C(=O)C1=CC(=O)[N-]O1	REAL300030747952	0	51	0.0	-75.59	373.91	1.59	-74.00
CC(OCC[NH+](C)C)C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030748016	0	54	0.0	-49.90	399.68	5.45	-44.45
CN(C[C@H]1CCCN1C(=O)CCOCC[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030748028	0	54	0.0	-70.18	416.91	4.23	-65.95
COCC[N@H+](C)CC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030748030	1	51	0.0	-70.71	390.40	3.23	-67.48
COCC[N@@H+](C)CC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030748030	1	51	0.0	-71.04	390.62	3.25	-67.79
CN(C[C@H]1CCCN1C(=O)C1C[NH+](C2CCOC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030748032	0	53	0.0	-76.27	406.47	3.77	-72.50
CC(CCC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030748037	0	53	0.0	-70.69	396.88	5.14	-65.55
CN(C[C@H]1CCCN1C(=O)C=C1CC[NH+](C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030748062	0	52	0.0	-71.58	393.87	5.72	-65.86
CC[N@H+](CC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030748072	0	51	0.0	-66.48	389.00	5.38	-61.10
CC[N@@H+](CC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030748072	1	51	0.0	-67.57	386.30	5.37	-62.20
CC1C[N@@H+]2CCN1C(C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300030748083	0	54	0.0	-87.18	392.90	2.10	-85.08
CC1C[N@H+]2CCN1C(C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300030748083	1	54	0.0	-84.14	388.69	1.97	-82.17
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030748125	1	51	0.0	-69.53	404.74	4.07	-65.46
CN(C[C@H]1CCCN1C(=O)C[N@@H+]1CC2CCC1C2)C(=O)C1=CC(=O)[N-]O1	REAL300030748133	0	52	0.0	-71.20	383.13	5.10	-66.10
CN(C[C@H]1CCCN1C(=O)C[N@H+]1CC2CCC1C2)C(=O)C1=CC(=O)[N-]O1	REAL300030748133	1	52	0.0	-72.03	387.29	5.35	-66.68
CC(C)[NH+]1CCC(CC(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030748147	0	60	0.0	-66.94	437.70	6.98	-59.96
CC(C[NH+](C)C)C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030748161	0	50	0.0	-77.07	374.59	4.24	-72.83
C[C@H](C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030748201	0	47	0.0	-71.89	358.84	3.72	-68.17
CC[N@@H+]1CCC1C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030748213	1	48	0.0	-75.41	373.88	4.22	-71.19
CC[N@H+]1CCC1C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030748213	1	48	0.0	-67.44	364.18	4.00	-63.44
CC(C)[N@@H+]1CCCC(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030748226	0	57	0.0	-73.85	414.97	5.75	-68.10
CC(C)[N@H+]1CCCC(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030748226	1	57	0.0	-51.26	399.30	6.20	-45.06
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030748244	0	56	0.0	-72.47	405.09	3.98	-68.49
C#CC[N@H+]1CCCCC1C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030748294	1	53	0.0	-75.77	399.36	5.78	-69.99
C#CC[N@@H+]1CCCCC1C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030748294	1	53	0.0	-72.51	407.99	6.04	-66.47
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030748297	1	50	0.0	-65.69	379.82	4.50	-61.19
CN(C[C@H]1CCCN1C(=O)C1=C[NH+]=CC=C1N)C(=O)C1=CC(=O)[N-]O1	REAL300030748298	0	44	0.0	-70.19	347.65	1.33	-68.86
CCCC(C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030748310	0	53	0.0	-72.12	389.75	4.94	-67.18
CC(CC[NH+](C)C)C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030748338	0	53	0.0	-78.36	399.41	5.00	-73.36
CN(C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C1=CC(=O)[N-]O1	REAL300030748396	0	58	0.0	-70.90	406.01	5.95	-64.95
CN(C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)C1=CC(=O)[N-]O1	REAL300030748396	1	58	0.0	-63.83	412.06	6.69	-57.14
COCCCC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030748473	0	60	0.0	-76.90	456.89	5.25	-71.65
COCCCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030748473	1	60	0.0	-76.99	456.89	5.27	-71.72
CN(C[C@H]1CCCN1C(=O)C1CC(C)(C)C[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030748483	0	54	0.0	-67.13	399.59	5.05	-62.08
CN(C[C@H]1CCCN1C(=O)C1CC(C)(C)C[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030748483	1	54	0.0	-72.89	399.04	4.98	-67.91
CN(C[C@H]1CCCN1C(=O)CCCCC[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030748489	0	56	0.0	-71.80	426.95	6.36	-65.44
CN(C[C@H]1CCCN1C(=O)CC[NH+]1CCC(O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030748494	0	55	0.0	-75.22	415.18	2.52	-72.70
CCC[N@@H+]1CCCCC1C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030748499	0	57	0.0	-62.91	396.69	6.79	-56.12
CCC[N@H+]1CCCCC1C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030748499	1	57	0.0	-65.96	420.35	6.32	-59.64
CC[NH+]1CCN(CCC(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030748508	0	59	0.0	-71.88	438.22	4.07	-67.81
CCN1CC[NH+](CCC(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030748508	1	59	0.0	-73.01	437.53	3.97	-69.04
CN(C[C@H]1CCCN1C(=O)CN1CC[NH+](C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030748512	1	53	0.0	-77.37	400.96	2.86	-74.51
CC(C)C[NH+]1CCC(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030748636	0	60	0.0	-74.05	438.78	6.93	-67.12
CC1C[N@H+](C)CC(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)O1	REAL300030748639	1	52	0.0	-81.93	387.03	3.96	-77.97
CC1C[N@@H+](C)CC(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)O1	REAL300030748639	1	52	0.0	-73.69	379.43	4.59	-69.10
CCC1CCC[N@H+](CC(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030748675	0	57	0.0	-72.66	414.23	6.00	-66.66
CCC1CCC[N@@H+](CC(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030748675	1	57	0.0	-70.46	422.27	6.51	-63.95
CN(C[C@H]1CCCN1C(=O)C1=CC=C(C[NH+](C)C)N1)C(=O)C1=CC(=O)[N-]O1	REAL300030748685	0	52	0.0	-78.95	402.60	4.70	-74.25
CN(C[C@H]1CCCN1C(=O)C[NH+]1CC2CC2C1)C(=O)C1=CC(=O)[N-]O1	REAL300030748707	0	49	0.0	-70.52	374.94	5.23	-65.29
CN(C[C@H]1CCCN1C(=O)CC1([NH+]2CCCC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030748725	0	55	0.0	-51.34	388.26	7.88	-43.46
CC([NH2+]C1(CO)CCCC1)C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030748742	0	58	0.0	-75.05	406.25	0.68	-74.37
CN(C[C@H]1CCCN1C(=O)C1CCCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030748771	0	51	0.0	-66.79	380.96	4.95	-61.84
CN(C[C@H]1CCCN1C(=O)C1CCCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030748771	1	51	0.0	-63.75	338.66	4.33	-59.42
CN(C[C@H]1CCCN1C(=O)C1CC[N@@H+]1CC1=CC=CC=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030748777	1	55	0.0	-73.86	431.23	7.36	-66.50
CN(C[C@H]1CCCN1C(=O)C1CC[N@H+]1CC1=CC=CC=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030748777	1	55	0.0	-52.07	405.01	7.55	-44.52
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030748784	0	60	0.0	-42.44	408.76	7.66	-34.78
CC(C)C[N@H+]1CCCC(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030748784	1	60	0.0	-62.65	408.66	7.00	-55.65
CN(C[C@H]1CCCN1C(=O)CN1CCC([NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030748839	0	59	0.0	-76.82	434.03	4.00	-72.82
CN(C[C@H]1CCCN1C(=O)C=C1CC[N@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030748904	0	49	0.0	-56.54	363.08	6.28	-50.26
CN(C[C@H]1CCCN1C(=O)C=C1CC[N@@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030748904	1	49	0.0	-80.61	380.04	4.82	-75.79
CN(C[C@H]1CCCN1C(=O)CNC1=CC=[NH+]C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030748911	0	47	0.0	-70.26	375.80	2.68	-67.58
CC[NH+]1CCN(CC(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030748973	0	56	0.0	-76.21	418.93	3.54	-72.67
CN(C[C@H]1CCCN1C(=O)C=C1C[NH+]2CCC1CC2)C(=O)C1=CC(=O)[N-]O1	REAL300030748974	0	53	0.0	-67.12	395.81	5.76	-61.36
CN(C[C@H]1CCCN1C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)C(=O)C1=CC(=O)[N-]O1	REAL300030749033	0	55	0.0	-69.02	411.84	2.59	-66.43
CN(C[C@H]1CCCN1C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)C(=O)C1=CC(=O)[N-]O1	REAL300030749033	1	55	0.0	-65.55	410.95	2.78	-62.77
CN(C[C@H]1CCCN1C(=O)C1C[NH+](C2CCOCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030749042	0	56	0.0	-76.58	422.80	4.33	-72.25
CN(C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030749057	0	48	0.0	-67.97	359.38	3.89	-64.08
CN(C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030749057	1	48	0.0	-72.68	366.67	4.18	-68.50
CCN1CCOCC1CC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030749095	0	55	0.0	-70.00	405.29	3.59	-66.41
CC[N@@H+]1CCOCC1CC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030749095	1	55	0.0	-65.65	399.99	3.42	-62.23
CC[N@H+]1CCOCC1CC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030749095	1	55	0.0	-65.65	399.99	3.42	-62.23
CN(C[C@H]1CCCN1C(=O)C1C[NH+](C2CCCCC2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030749121	0	58	0.0	-74.20	431.78	6.73	-67.47
CN(C[C@H]1CCCN1C(=O)C1=CC=C2NC(N)=NC2=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030749197	0	48	0.0	-74.84	370.07	4.66	-70.18
CN(C[C@H]1CCCN1C(=O)C1=CC=C2NC(N)=[NH+]C2=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030749197	1	48	0.0	-74.84	370.07	4.66	-70.18
CN(C[C@H]1CCCN1C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030749242	0	51	0.0	-70.50	389.98	5.10	-65.40
CC1CCCC(C)[NH+]1CCC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030749254	0	60	0.0	-68.60	430.99	6.52	-62.08
CN(C[C@H]1CCCN1C(=O)C1CCC([NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030749257	0	57	0.0	-75.03	416.36	6.01	-69.02
CN(C[C@H]1CCCN1C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030749261	0	57	0.0	-66.70	408.80	5.87	-60.83
CN(C[C@H]1CCCN1C(=O)CC1CC=CC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030749262	0	52	0.0	-64.78	386.61	5.42	-59.36
CN(C[C@H]1CCCN1C(=O)CC1CC=CC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030749262	1	52	0.0	-68.47	388.64	5.25	-63.22
CC1=CC(C=CC(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)=C[NH+]=C1N	REAL300030749324	1	51	0.0	-72.90	404.08	4.37	-68.53
CN(C[C@H]1CCCN1C(=O)COCC[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030749339	0	51	0.0	-70.35	396.02	4.48	-65.87
CCCCC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030749346	0	59	0.0	-73.98	444.72	6.98	-67.00
CCCCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030749346	1	59	0.0	-74.05	444.70	6.97	-67.08
CN(C[C@H]1CCCN1C(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1)C(=O)C1=CC(=O)[N-]O1	REAL300030749358	0	55	0.0	-69.58	415.29	5.18	-64.40
CN(C[C@H]1CCCN1C(=O)CN1C=CSC1=[NH2+])C(=O)C1=CC(=O)[N-]O1	REAL300030749384	0	44	0.0	-65.97	367.16	3.58	-62.39
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030749463	0	54	0.0	-72.03	411.59	4.74	-67.29
CN(C[C@H]1CCCN1C(=O)CC[NH+]1CCCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030749521	0	57	0.0	-73.25	414.37	6.00	-67.25
CN(C[C@H]1CCCN1C(=O)C[NH+]1CCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030749525	0	51	0.0	-69.78	383.12	5.28	-64.50
CN(C[C@H]1CCCN1C(=O)C1CCC[N@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030749527	0	51	0.0	-50.86	366.85	5.00	-45.86
CN(C[C@H]1CCCN1C(=O)C1CCC[N@@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030749527	1	51	0.0	-45.19	361.75	5.62	-39.57
CN(C[C@H]1CCCN1C(=O)C[NH+]1CCC(CO)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030749529	0	55	0.0	-71.84	414.58	2.56	-69.28
CN(C[C@H]1CCCN1C(=O)C[NH+]1CCCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030749535	0	54	0.0	-70.06	391.03	5.44	-64.62
CN(C[C@H]1CCCN1C(=O)C[N+]1=CN(C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030749542	0	46	0.0	-67.15	371.41	6.92	-60.23
CN(C[C@H]1CCCN1C(=O)C1=CC=C(C[NH+](C)C)O1)C(=O)C1=CC(=O)[N-]O1	REAL300030749560	1	51	0.0	-87.46	401.07	5.02	-82.44
CN(C[C@H]1CCCN1C(=O)C1=CC=C(C[NH+](C)C)N=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030749568	0	53	0.0	-70.69	397.38	4.61	-66.08
CN(C[C@H]1CCCN1C(=O)C[NH+]1CCC(O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030749582	0	52	0.0	-73.88	393.88	1.89	-71.99
CN(C[C@H]1CCCN1C(=O)C[N@H+](C)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030749589	0	48	0.0	-68.12	369.84	4.83	-63.29
CN(C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030749589	1	48	0.0	-67.15	369.76	4.80	-62.35
CC(C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300030749591	1	56	0.0	-75.98	410.84	2.96	-73.02
CN(C[C@H]1CCCN1C(=O)CC[N@@H+]1CCC(F)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030749596	0	51	0.0	-81.67	393.61	5.00	-76.67
CN(C[C@H]1CCCN1C(=O)CC[N@H+]1CCC(F)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030749596	1	51	0.0	-76.91	394.31	5.25	-71.66
CC(CC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030749631	0	53	0.0	-72.46	397.40	5.42	-67.04
CN(C[C@H]1CCCN1C(=O)C1CC[N@@H+]2CCOCC12)C(=O)C1=CC(=O)[N-]O1	REAL300030749651	0	53	0.0	-67.92	392.50	3.59	-64.33
CN(C[C@H]1CCCN1C(=O)C1CC[N@H+]2CCOCC12)C(=O)C1=CC(=O)[N-]O1	REAL300030749651	1	53	0.0	-73.72	398.15	3.59	-70.13
CC1=[NH+]C=C2C=CC(C(=O)N3CCC[C@@H]3CN(C)C(=O)C3=CC(=O)[N-]O3)=CN21	REAL300030749659	0	49	0.0	-65.81	374.28	5.74	-60.07
CN(C[C@H]1CCCN1C(=O)CC1COCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030749680	1	52	0.0	-68.92	383.85	3.03	-65.89
CN(C[C@H]1CCCN1C(=O)CC1COCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030749680	1	52	0.0	-84.22	391.13	3.19	-81.03
CC[NH+]1CCN(CC(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030749691	0	56	0.0	-76.21	418.93	3.54	-72.67
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030749745	1	47	0.0	-69.89	369.45	2.63	-67.26
CN(C[C@H]1CCCN1C(=O)CCC1=CC=C(N)[NH+]=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030749748	0	50	0.0	-69.42	399.14	3.95	-65.47
CN(C[C@H]1CCCN1C(=O)C[N@@H+]1CCC(C)(O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030749802	0	52	0.0	-72.79	397.97	1.69	-71.10
CN(C[C@H]1CCCN1C(=O)C[N@H+]1CCC(C)(O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030749802	1	52	0.0	-68.93	396.39	1.81	-67.12
CN(C[C@H]1CCCN1C(=O)C1=CC=NN1CC[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030749812	0	54	0.0	-65.90	415.08	4.54	-61.36
CN(C[C@H]1CCCN1C(=O)CC1C[NH+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030749843	0	48	0.0	-71.44	371.53	4.23	-67.21
CN(C[C@H]1CCCN1C(=O)C1CC[N@@H+]1C1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030749849	0	55	0.0	-69.68	412.67	6.34	-63.34
CN(C[C@H]1CCCN1C(=O)C1CC[N@H+]1C1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030749849	1	55	0.0	-50.60	388.23	7.03	-43.57
CN(C[C@H]1CCCN1C(=O)C[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030749859	0	44	0.0	-71.16	340.07	3.40	-67.76
CN(C[C@H]1CCCN1C(=O)CC[N@H+](C)CCO)C(=O)C1=CC(=O)[N-]O1	REAL300030749900	0	51	0.0	-72.24	390.59	1.45	-70.79
CN(C[C@H]1CCCN1C(=O)CC[N@@H+](C)CCO)C(=O)C1=CC(=O)[N-]O1	REAL300030749900	1	51	0.0	-71.30	390.90	1.38	-69.92
C[C@@H](C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030749901	0	47	0.0	-61.13	335.03	4.18	-56.95
CN(C[C@H]1CCCN1C(=O)CC1CCCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030749921	0	54	0.0	-64.54	392.54	5.34	-59.20
CN(C[C@H]1CCCN1C(=O)CC1CCCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030749921	1	54	0.0	-80.22	399.82	5.54	-74.68
CC1=C2C=C(C(=O)N3CCC[C@@H]3CN(C)C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030749947	1	49	0.0	-70.64	374.96	6.52	-64.12
CC(C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300030749948	0	51	0.0	-71.87	386.57	4.77	-67.10
CC1CC[N@@H+]1CC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030749953	1	48	0.0	-73.95	372.06	4.41	-69.54
CC1CC[N@H+]1CC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030749953	1	48	0.0	-67.74	366.32	4.22	-63.52
CN(C[C@H]1CCCN1C(=O)C=CC[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030749968	0	48	0.0	-74.61	374.88	4.60	-70.01
CN(C[C@H]1CCCN1C(=O)C[NH+]1CC(C)(C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030749982	1	51	0.0	-70.41	390.77	4.93	-65.48
CN(C[C@H]1CCCN1C(=O)CCCC[NH+]1CCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030749996	0	60	0.0	-71.52	447.10	7.45	-64.07
CC1=C(C)[NH+]=C(CCC(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)N1	REAL300030750009	1	52	0.0	-65.75	410.62	4.67	-61.08
CN(C[C@H]1CCCN1C(=O)C1(C2CC[NH+](C)CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030750019	0	58	0.0	-69.27	426.69	6.68	-62.59
CC1=C2C=C(C(=O)N3CCC[C@@H]3CN(C)C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030750028	1	49	0.0	-70.64	374.96	6.52	-64.12
CN(C[C@H]1CCCN1C(=O)CSCC[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030750038	0	51	0.0	-75.56	407.03	5.40	-70.16
CN(C[C@H]1CCCN1C(=O)C1=CC2=C(CCCC2)[NH+]=C1N)C(=O)C1=CC(=O)[N-]O1	REAL300030750060	1	54	0.0	-61.79	410.98	4.71	-57.08
CN(C[C@H]1CCCN1C(=O)C[N@@H+]1CCCC1CO)C(=O)C1=CC(=O)[N-]O1	REAL300030750068	0	52	0.0	-67.30	385.66	1.95	-65.35
CN(C[C@H]1CCCN1C(=O)C[N@H+]1CCCC1CO)C(=O)C1=CC(=O)[N-]O1	REAL300030750068	1	52	0.0	-73.25	390.67	1.34	-71.91
CC[NH+](CC)CC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030750071	0	50	0.0	-68.48	376.31	4.73	-63.75
CN(C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCSC1)C(=O)C1=CC(=O)[N-]O1	REAL300030750084	0	52	0.0	-74.77	399.32	5.64	-69.13
CN(C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCSC1)C(=O)C1=CC(=O)[N-]O1	REAL300030750084	1	52	0.0	-75.47	399.81	5.64	-69.83
CN(C[C@H]1CCCN1C(=O)C[NH+]1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030750086	1	45	0.0	-70.24	350.74	3.86	-66.38
CC[NH+](CC)CCC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030750131	0	53	0.0	-71.51	393.77	5.04	-66.47
CN(C[C@H]1CCCN1C(=O)C[NH+]1CCC(C(N)=O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030750153	0	55	0.0	-80.99	417.71	1.95	-79.04
CN(C[C@H]1CCCN1C(=O)C1=CC(C[NH+](C)C)=CN1)C(=O)C1=CC(=O)[N-]O1	REAL300030750199	0	52	0.0	-74.11	402.24	4.88	-69.23
CC(C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300030750219	0	55	0.0	-76.01	410.93	2.21	-73.80
CN(C[C@H]1CCCN1C(=O)C1CC2COCC[N@@H+]2C1)C(=O)C1=CC(=O)[N-]O1	REAL300030750225	0	53	0.0	-69.78	396.24	3.63	-66.15
CN(C[C@H]1CCCN1C(=O)C1CC2COCC[N@H+]2C1)C(=O)C1=CC(=O)[N-]O1	REAL300030750225	1	53	0.0	-70.14	394.52	3.62	-66.52
CC(C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030750241	0	48	0.0	-72.34	364.77	4.10	-68.24
CCC(CC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030750251	0	56	0.0	-72.77	411.39	5.93	-66.84
CN(C[C@H]1CCCN1C(=O)C=CC1=CC=C(N)[NH+]=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030750258	0	48	0.0	-72.48	386.36	3.62	-68.86
CN(C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030750323	0	51	0.0	-70.47	382.36	4.87	-65.60
CN(C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030750323	1	51	0.0	-68.50	369.47	4.48	-64.02
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030750337	0	54	0.0	-73.28	390.45	2.10	-71.18
CC1CN2CC[N@H+]1CC2C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030750337	1	54	0.0	-74.09	388.67	2.11	-71.98
CN(C[C@H]1CCCN1C(=O)CC(O)C[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030750362	0	51	0.0	-75.74	392.84	2.40	-73.34
CN(C[C@H]1CCCN1C(=O)C1CC2CCC(C1)[NH+]2C)C(=O)C1=CC(=O)[N-]O1	REAL300030750365	0	55	0.0	-63.66	363.38	5.68	-57.98
C=CCC(C(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030750411	0	51	0.0	-70.71	381.47	4.63	-66.08
CN(C[C@H]1CCCN1C(=O)C1CC2CCCC[N@@H+]2C1)C(=O)C1=CC(=O)[N-]O1	REAL300030750421	0	55	0.0	-69.25	404.77	6.01	-63.24
CN(C[C@H]1CCCN1C(=O)C1CC2CCCC[N@H+]2C1)C(=O)C1=CC(=O)[N-]O1	REAL300030750421	1	55	0.0	-72.64	403.56	5.91	-66.73
CN(C[C@H]1CCCN1C(=O)CC1(O)CC[NH+](C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030750437	0	55	0.0	-73.24	406.80	3.64	-69.60
COCC[N@@H+]1CCCC1CC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030750452	0	58	0.0	-49.92	417.20	5.52	-44.40
COCC[N@H+]1CCCC1CC(=O)N1CCC[C@@H]1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030750452	1	58	0.0	-63.93	432.28	4.81	-59.12
CN(C[C@H]1CCCN1C(=O)CC1CC2CCC(C1)[NH+]2C)C(=O)C1=CC(=O)[N-]O1	REAL300030750461	0	58	0.0	-68.85	418.84	6.34	-62.51
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=NN1CC[NH+](C)C	REAL300030750499	0	54	0.0	-69.22	414.50	4.56	-64.66
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1(C2CC[NH+](C)CC2)CC1	REAL300030750546	0	58	0.0	-70.05	425.04	6.51	-63.54
CC1=C2C=C(C(=O)N(C)C[C@H]3CCCN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030750558	1	49	0.0	-82.83	395.39	7.15	-75.68
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CSCC[NH+](C)C	REAL300030750569	0	51	0.0	-85.47	407.93	5.24	-80.23
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC2COCC[N@@H+]2C1	REAL300030750581	0	53	0.0	-55.20	385.84	5.56	-49.64
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC2COCC[N@H+]2C1	REAL300030750581	1	53	0.0	-75.46	395.76	3.50	-71.96
C[N@@H+]1CCCC1C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030750741	0	46	0.0	-67.14	369.56	0.39	-66.75
C[N@H+]1CCCC1C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030750741	1	46	0.0	-72.22	369.48	0.47	-71.75
C[N@@H+]1CCOC(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030750765	1	47	0.0	-81.78	386.83	0.39	-81.39
C[N@H+]1CCOC(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030750765	1	47	0.0	-83.56	386.88	0.39	-83.17
CC(C)C1=[NH+]C=CN1CCC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030750946	1	53	0.0	-64.02	435.02	2.99	-61.03
CC(C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300030750953	0	55	0.0	-65.01	419.68	2.25	-62.76
CC(C)[N@@H+]1CCCCC1C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030750955	0	55	0.0	-66.96	422.54	2.43	-64.53
CC(C)[N@H+]1CCCCC1C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030750955	1	55	0.0	-66.97	416.58	2.43	-64.54
CC(C)[N@@H+]1CCCC1C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030750985	0	52	0.0	-67.46	411.26	2.14	-65.32
CC(C)[N@H+]1CCCC1C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030750985	1	52	0.0	-63.97	408.26	2.05	-61.92
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@@H+]2C1	REAL300030751009	0	53	0.0	-71.81	417.03	2.67	-69.14
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@H+]2C1	REAL300030751009	1	53	0.0	-73.90	416.95	2.67	-71.23
CC(C)C1=[NH+]C=CN1CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030751040	1	50	0.0	-64.91	415.26	2.57	-62.34
CC1=[NH+]C=CN1CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030751090	1	44	0.0	-66.23	379.04	1.45	-64.78
CC(C[NH+]1CCOCC1)C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030751092	0	53	0.0	-70.96	420.92	0.57	-70.39
O=C(CCC[NH+]1CCCCC1)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030751114	0	55	0.0	-73.85	434.49	3.11	-70.74
CC(C)(C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300030751139	0	55	0.0	-71.04	418.82	2.89	-68.15
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+]2CCC1CC2	REAL300030751157	0	50	0.0	-75.96	390.85	1.72	-74.24
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC2CCC[N@@H+]21	REAL300030751211	0	53	0.0	-65.59	414.11	2.75	-62.84
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC2CCC[N@H+]21	REAL300030751211	1	53	0.0	-66.14	413.98	2.76	-63.38
C[NH+](C)CCN1C=C(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300030751213	0	52	0.0	-80.76	433.93	1.35	-79.41
C[NH+](C)CCN1C=CC(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030751227	0	52	0.0	-83.76	434.13	1.43	-82.33
C[C@@H]1[C@H](C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030751233	0	49	0.0	-76.54	386.08	0.89	-75.65
C[C@@H]1[C@H](C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030751233	1	49	0.0	-69.62	391.57	1.42	-68.20
CCC1=[NH+]C=CN1C(C)CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030751236	1	53	0.0	-67.86	435.40	3.13	-64.73
CC[C@@H]1[C@@H](C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030751239	0	52	0.0	-74.35	406.89	1.61	-72.74
CC[C@@H]1[C@@H](C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030751239	1	52	0.0	-72.47	410.45	2.14	-70.33
CC[N@@H+]1CCOC(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030751263	1	50	0.0	-71.30	397.51	0.88	-70.42
CC[N@H+]1CCOC(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030751263	1	50	0.0	-69.02	397.57	0.89	-68.13
CC[NH+](CC)CC(F)C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030751320	0	51	0.0	-70.03	406.74	1.46	-68.57
C[NH+](C)CC1=C(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)SC=C1	REAL300030751321	0	49	0.0	-64.05	415.23	2.44	-61.61
CC1CCC(C)[NH+]1CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030751419	0	52	0.0	-65.00	406.74	1.85	-63.15
O=C(CCC[NH+]1CCCC1)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030751426	0	52	0.0	-70.15	419.44	2.38	-67.77
C[NH+](C)CC1=CC=CC(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030751427	0	52	0.0	-73.24	427.77	3.33	-69.91
C#CC[NH+]1CCC(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030751434	0	51	0.0	-77.36	418.73	2.74	-74.62
O=C(CC[NH+]1CCCCC1)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030751435	0	52	0.0	-73.48	412.99	2.33	-71.15
C[NH+](C)CC1=CC=CC=C1C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030751439	0	52	0.0	-65.51	420.53	3.68	-61.83
CC[N@@H+]1CCCCC1C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030751448	0	52	0.0	-68.15	399.94	1.92	-66.23
CC[N@H+]1CCCCC1C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030751448	1	52	0.0	-69.19	399.82	2.01	-67.18
CC(C)C(C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300030751449	0	58	0.0	-66.20	435.08	3.89	-62.31
C[NH+](C)C(C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300030751452	1	52	0.0	-66.54	424.34	3.33	-63.21
CC(C)C[N@@H+]1CCC(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030751475	0	55	0.0	-72.88	434.55	2.88	-70.00
CC(C)C[N@H+]1CCC(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030751475	1	55	0.0	-73.06	435.46	2.89	-70.17
C[NH+](C)C1(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300030751479	0	49	0.0	-75.62	380.33	1.46	-74.16
C[NH+](C)C(CN1C=CC=N1)C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030751481	1	52	0.0	-66.73	418.62	1.52	-65.21
CC(C)[N@@H+]1CCCC1CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030751486	0	55	0.0	-64.39	418.66	2.45	-61.94
CC(C)[N@H+]1CCCC1CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030751486	1	55	0.0	-65.77	419.96	2.02	-63.75
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@@H+]1C1CCCC1	REAL300030751487	0	56	0.0	-71.41	425.48	3.29	-68.12
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@H+]1C1CCCC1	REAL300030751487	1	56	0.0	-65.62	435.59	3.23	-62.39
CC(C)[C@@H](C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030751508	0	51	0.0	-70.59	396.05	1.81	-68.78
C[N@H+](CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030751569	0	49	0.0	-66.63	395.83	1.82	-64.81
C[N@@H+](CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030751569	1	49	0.0	-66.96	395.73	1.81	-65.15
CC(C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300030751649	0	55	0.0	-62.57	418.96	2.33	-60.24
CN(CCC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300030751717	0	51	0.0	-71.63	424.18	1.60	-70.03
C#CC[N@H+]1CCC[C@H]1C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030751729	1	48	0.0	-70.41	396.11	1.69	-68.72
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030751729	1	48	0.0	-70.12	402.02	2.20	-67.92
C[N@@H+]1CCCC1CCC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030751738	0	52	0.0	-75.56	416.99	2.34	-73.22
C[N@H+]1CCCC1CCC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030751738	1	52	0.0	-69.58	411.56	1.87	-67.71
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[NH+](CCC1)C2	REAL300030751750	0	53	0.0	-73.24	407.00	2.06	-71.18
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC2CCCC[N@@H+]21	REAL300030751758	0	53	0.0	-69.27	411.16	2.42	-66.85
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC2CCCC[N@H+]21	REAL300030751758	1	53	0.0	-68.06	410.27	2.39	-65.67
CC(C)(C[NH+]1CCOCC1)C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030751766	0	56	0.0	-66.88	430.42	0.94	-65.94
O=C(CCCC[NH+]1CCCC1)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030751786	0	55	0.0	-70.80	440.94	3.16	-67.64
C[N@H+](CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300030751788	1	52	0.0	-76.36	426.10	3.51	-72.85
C[N@@H+](CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300030751788	1	52	0.0	-72.41	426.32	3.43	-68.98
C[NH+]1CCC(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030751803	0	49	0.0	-71.79	394.20	1.50	-70.29
C[NH+](C)CC1=CC(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300030751860	1	48	0.0	-78.12	408.72	0.88	-77.24
CC1=C(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300030751862	0	47	0.0	-75.95	401.93	3.60	-72.35
C[N@@H+]1CCCCC1C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030751901	0	49	0.0	-69.47	382.25	1.27	-68.20
C[N@H+]1CCCCC1C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030751901	1	49	0.0	-70.33	382.26	1.26	-69.07
CC(C)C[N@@H+]1CCCC1C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030751931	0	55	0.0	-69.15	428.55	2.50	-66.65
CC(C)C[N@H+]1CCCC1C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030751931	1	55	0.0	-69.02	434.12	3.15	-65.87
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN2C=[NH+]C=C2C=C1	REAL300030752077	0	44	0.0	-74.08	379.61	3.42	-70.66
CC1=[NH+]C=CN1CCCC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030752089	1	50	0.0	-67.61	420.58	2.74	-64.87
O=C(CCCC[NH+]1CCOCC1)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030752093	1	56	0.0	-74.02	447.88	1.43	-72.59
C[NH+](C)CC1=CC=C(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300030752099	0	52	0.0	-80.97	427.63	3.42	-77.55
O=C(CC[NH+]1CCOCC1)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030752100	1	50	0.0	-72.88	404.88	-0.16	-73.04
CCC[NH+](CCC)CCCC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030752123	0	60	0.0	-70.86	467.69	3.77	-67.09
CC1=C[NH+]=CN1CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030752143	1	44	0.0	-69.19	379.38	2.18	-67.01
O=C(CN1C=[NH+]C2=C1CCCC2)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030752152	1	51	0.0	-68.26	421.20	3.91	-64.35
C[NH+](C)CC1(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCCC1	REAL300030752194	0	58	0.0	-71.51	437.95	3.30	-68.21
C[N@H+](CCC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300030752200	0	58	0.0	-70.66	448.02	3.43	-67.23
C[N@@H+](CCC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300030752200	1	58	0.0	-70.54	448.02	3.43	-67.11
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[NH+]1CCC2	REAL300030752203	0	50	0.0	-72.49	394.14	1.93	-70.56
C[NH+](C)C1CCCC(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030752242	0	55	0.0	-68.34	421.79	2.61	-65.73
C[N@@H+]1CCC(CC(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030752246	0	49	0.0	-75.93	395.99	1.51	-74.42
C[N@H+]1CCC(CC(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030752246	1	49	0.0	-71.38	395.93	1.45	-69.93
CN(C)C1=CC=[NH+]C=C1C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030752259	0	48	0.0	-79.19	400.33	0.74	-78.45
CCC(C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030752265	0	48	0.0	-66.02	380.01	0.83	-65.19
C[NH+](C)C1(CC(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030752285	0	55	0.0	-74.99	413.28	2.36	-72.63
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC2=C[NH+]=CN2C=C1	REAL300030752346	1	44	0.0	-77.80	380.05	3.36	-74.44
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300030752387	1	47	0.0	-82.58	409.31	1.30	-81.28
C[NH+](C)CCCCC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030752418	0	51	0.0	-72.05	414.98	1.97	-70.08
CC(C)C(C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030752439	0	51	0.0	-67.51	399.63	2.06	-65.45
CCC[N@H+](C)CCC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030752441	0	51	0.0	-74.73	411.04	1.88	-72.85
CCC[N@@H+](C)CCC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030752441	1	51	0.0	-70.81	411.21	1.80	-69.01
CCC[N@H+](C)CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030752447	0	48	0.0	-68.64	388.84	1.25	-67.39
CCC[N@@H+](C)CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030752447	1	48	0.0	-72.27	388.67	1.34	-70.93
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@H+](C1)CCC2	REAL300030752476	0	50	0.0	-78.61	391.38	1.15	-77.46
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@@H+](C1)CCC2	REAL300030752476	1	50	0.0	-76.69	391.41	1.17	-75.52
C[N@@H+]1CCC[C@@H]1C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030752534	0	46	0.0	-70.47	369.45	0.47	-70.00
C[N@H+]1CCC[C@@H]1C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030752534	1	46	0.0	-69.19	375.79	0.99	-68.20
CC1CC2CCC(C(=O)NCCOC3CN(C(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300030752559	0	56	0.0	-66.62	437.62	3.31	-63.31
CC1CC2CCC(C(=O)NCCOC3CN(C(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300030752559	1	56	0.0	-62.22	431.68	3.52	-58.70
CCCCCC[N@H+](C)CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030752604	0	57	0.0	-69.77	453.34	3.59	-66.18
CCCCCC[N@@H+](C)CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030752604	1	57	0.0	-69.84	453.34	3.59	-66.25
CC[NH+](CC)C(C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300030752612	0	57	0.0	-64.42	431.22	3.03	-61.39
CC[NH+](CC)CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030752621	0	48	0.0	-66.81	385.71	1.19	-65.62
CCC[N@@H+]1CCCC(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030752654	0	55	0.0	-63.70	426.94	3.16	-60.54
CCC[N@H+]1CCCC(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030752654	1	55	0.0	-67.05	426.95	3.14	-63.91
CC(C)[N@@H+]1CCOC(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030752676	0	53	0.0	-74.59	414.26	1.39	-73.20
CC(C)[N@H+]1CCOC(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030752676	1	53	0.0	-73.80	421.55	1.46	-72.34
CC1CC[NH+](CC(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030752714	0	52	0.0	-68.68	412.57	2.32	-66.36
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300030752742	1	47	0.0	-80.46	408.75	1.38	-79.08
C[NH+]1CCC(OCC(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030752751	0	53	0.0	-75.58	429.56	1.93	-73.65
C[NH+](C)CC1(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030752767	0	49	0.0	-75.29	401.28	1.61	-73.68
CC1=[NH+]C=C2CCC(C(=O)NCCOC3CN(C(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300030752768	1	51	0.0	-67.51	417.24	2.60	-64.91
CC(C)[NH+]1CCC(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030752864	0	55	0.0	-69.22	424.86	2.46	-66.76
C[NH+]1CCC(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030752892	0	49	0.0	-71.79	394.20	1.50	-70.29
CC(C)[C@H](C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030752913	0	51	0.0	-66.51	398.85	1.98	-64.53
CCC(C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030752948	0	54	0.0	-62.94	415.77	2.13	-60.81
CC[N@H+](C)CCC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030753031	0	48	0.0	-70.21	389.71	1.05	-69.16
CC[N@@H+](C)CCC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030753031	1	48	0.0	-70.17	389.71	1.06	-69.11
CC1CCC[N@@H+]1CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030753100	0	49	0.0	-69.12	395.53	1.58	-67.54
CC1CCC[N@H+]1CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030753100	1	49	0.0	-65.87	394.76	1.61	-64.26
CC1CC[N@H+](CC(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030753102	0	49	0.0	-71.53	395.31	1.68	-69.85
CC1CC[N@@H+](CC(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030753102	1	49	0.0	-71.49	395.51	1.65	-69.84
CC(C)(C)[N@@H+]1CCC(F)(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030753103	0	55	0.0	-69.79	431.58	2.21	-67.58
CC(C)(C)[N@H+]1CCC(F)(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030753103	1	55	0.0	-68.51	431.62	2.23	-66.28
CC1=[NH+]C=C2CC(C(=O)NCCOC3CN(C(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300030753105	1	51	0.0	-70.34	418.71	2.68	-67.66
CC1(C)CC[N@H+](CC(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030753108	0	52	0.0	-71.58	415.05	2.17	-69.41
CC1(C)CC[N@@H+](CC(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030753108	1	52	0.0	-67.83	415.17	2.09	-65.74
C[N@H+](CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030753109	0	54	0.0	-68.45	417.45	2.24	-66.21
C[N@@H+](CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030753109	1	54	0.0	-72.07	419.23	2.47	-69.60
CC[C@@H](C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030753120	0	48	0.0	-66.51	380.26	0.83	-65.68
CC(COCC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300030753128	0	56	0.0	-68.22	448.19	2.60	-65.62
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[NH+](CC2CC2)CC1	REAL300030753213	0	56	0.0	-72.04	443.38	3.71	-68.33
C[NH+]1CCC(O)(CC(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030753354	0	53	0.0	-74.18	420.15	0.17	-74.01
COCC[N@@H+]1CCCC1CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030753361	0	56	0.0	-73.39	438.38	1.25	-72.14
COCC[N@H+]1CCCC1CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030753361	1	56	0.0	-71.47	447.89	1.37	-70.10
C[NH+](C)CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030753369	0	42	0.0	-69.19	349.61	-0.16	-69.35
O=C(C[NH+]1CCC(CO)CC1)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030753374	1	53	0.0	-70.16	423.40	-0.99	-71.15
O=C(C[NH+]1CCCCCC1)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030753378	0	52	0.0	-67.78	400.69	1.90	-65.88
CN1C=C[N+](CC(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030753383	0	44	0.0	-70.11	380.67	3.43	-66.68
C[N@@H+]1CCCC(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030753394	0	49	0.0	-73.14	394.08	1.56	-71.58
C[N@H+]1CCCC(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030753394	1	49	0.0	-73.62	394.02	1.55	-72.07
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@@H+]1C1CC1	REAL300030753399	0	50	0.0	-67.83	402.52	1.95	-65.88
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@H+]1C1CC1	REAL300030753399	1	50	0.0	-69.08	399.91	1.77	-67.31
CC(C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030753434	1	46	0.0	-66.60	379.61	0.77	-65.83
CCC(CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030753443	0	54	0.0	-66.45	424.84	2.44	-64.01
C[NH+](C)CC(C)(C)C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030753451	0	51	0.0	-68.37	398.75	1.71	-66.66
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC(C1)C[N@@H+]2C1CC1	REAL300030753471	0	51	0.0	-70.81	406.40	2.55	-68.26
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC(C1)C[N@H+]2C1CC1	REAL300030753471	1	51	0.0	-71.50	407.67	3.18	-68.32
O=C(C[NH+]1CCC(O)CC1)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030753491	1	50	0.0	-71.88	402.42	-1.64	-73.52
C[N@H+](CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030753492	0	46	0.0	-66.00	378.88	1.24	-64.76
C[N@@H+](CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030753492	1	46	0.0	-66.54	379.01	1.25	-65.29
CC(C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300030753493	1	54	0.0	-73.04	422.87	-0.32	-73.36
C[NH+]1CC(CC(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030753518	0	46	0.0	-70.60	381.06	0.66	-69.94
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+]1C1CCCC1	REAL300030753522	0	53	0.0	-72.22	421.92	2.89	-69.33
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+]1C1CCCC1	REAL300030753522	1	53	0.0	-70.48	415.50	2.37	-68.11
CC(C)(C)[N@@H+]1CCC1C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030753530	0	52	0.0	-70.41	393.93	1.48	-68.93
CC(C)(C)[N@H+]1CCC1C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030753530	1	52	0.0	-69.13	410.74	1.62	-67.51
C[C@@H](C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030753543	0	45	0.0	-71.29	367.34	0.33	-70.96
CCC1CCC[N@H+](CC(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030753592	0	55	0.0	-72.20	423.44	3.00	-69.20
CCC1CCC[N@@H+](CC(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030753592	1	55	0.0	-72.17	430.42	3.04	-69.13
C[NH+](C)CC1=CC=C(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030753601	0	50	0.0	-83.41	416.03	1.34	-82.07
C[NH+]1C2CCC1CC(CC(=O)NCCOC1CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030753615	0	56	0.0	-69.25	415.30	2.29	-66.96
[NH2+]=C1SC=CN1CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030753659	0	42	0.0	-65.42	376.68	0.02	-65.40
C[N@H+](CCO)CCC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030753672	0	49	0.0	-70.08	400.06	-2.16	-72.24
C[N@@H+](CCO)CCC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030753672	1	49	0.0	-73.74	399.85	-2.09	-75.83
C[C@@H](C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030753673	0	45	0.0	-71.29	367.34	0.33	-70.96
C[N@@H+]1CCCC[C@@H]1C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030753677	0	49	0.0	-69.61	382.12	1.36	-68.25
C[N@H+]1CCCC[C@@H]1C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030753677	1	49	0.0	-65.26	391.55	1.43	-63.83
CC1CN2CC[N@@H+]1CC2C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030753687	0	52	0.0	-77.79	402.25	-1.08	-78.87
CC1CN2CC[N@H+]1CC2C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030753687	1	52	0.0	-74.27	402.28	-1.10	-75.37
COC1C[N@@H+]2CCCC2(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030753731	0	54	0.0	-68.67	424.93	0.57	-68.10
COC1C[N@H+]2CCCC2(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030753731	1	54	0.0	-72.50	427.31	0.89	-71.61
O=C(CC1=CC2=C[NH+]=CN2C=C1)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030753746	0	47	0.0	-70.45	404.01	4.02	-66.43
C[N@H+](CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300030753774	0	50	0.0	-73.83	408.96	2.08	-71.75
C[N@@H+](CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300030753774	1	50	0.0	-74.20	408.95	2.06	-72.14
O=C(C[NH+]1CCC1)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030753775	1	43	0.0	-72.22	359.71	0.27	-71.95
C[NH+](C)CC1=CC(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC=N1	REAL300030753812	1	51	0.0	-73.43	423.58	1.58	-71.85
C[N@@H+]1CCC(=CC(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030753814	0	47	0.0	-76.55	387.38	1.48	-75.07
C[N@H+]1CCC(=CC(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030753814	1	47	0.0	-73.12	388.46	1.38	-71.74
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+](C2CCCCC2)C1	REAL300030753840	0	56	0.0	-70.65	441.58	3.19	-67.46
C[NH+](C)CCOCC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030753856	0	49	0.0	-70.26	405.49	0.90	-69.36
CCCCC[N@H+](C)CCC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030753863	0	57	0.0	-71.72	454.21	3.35	-68.37
CCCCC[N@@H+](C)CCC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030753863	1	57	0.0	-71.71	454.20	3.36	-68.35
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030753873	0	53	0.0	-74.91	426.69	2.14	-72.77
C=CCC(C)(C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030753883	0	52	0.0	-64.25	404.98	1.91	-62.34
C[S+](C)CCC(O)C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030753888	0	48	0.0	-72.09	414.46	-0.49	-72.58
C[N@@H+]1CC(O)CC1(C)C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030753921	0	50	0.0	-77.88	397.32	-1.65	-79.53
CN1CC[N@H+](C)CC(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030753936	0	54	0.0	-68.30	419.73	0.01	-68.29
CN1CC[N@@H+](C)CC(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030753936	1	54	0.0	-68.30	419.73	0.01	-68.29
CC(C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300030753937	0	53	0.0	-65.80	420.34	-1.17	-66.97
O=C(CN1CCC(CO)CC1)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030753952	0	53	0.0	-70.16	423.40	-0.99	-71.15
O=C(C[NH+]1CCC(CO)CC1)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030753952	1	53	0.0	-70.16	423.40	-0.99	-71.15
C[N@@H+]1CCCC(O)(CC(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030753962	0	53	0.0	-65.83	419.92	0.19	-65.64
C[N@H+]1CCCC(O)(CC(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030753962	1	53	0.0	-65.83	419.92	0.19	-65.64
CC1CN(CC(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030753966	0	46	0.0	-72.16	380.88	0.95	-71.21
CC1C[NH+](CC(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030753966	1	46	0.0	-72.16	380.88	0.95	-71.21
NC(=O)C1CCN(CC(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030753971	0	53	0.0	-80.71	427.64	-1.62	-82.33
NC(=O)C1CC[NH+](CC(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030753971	1	53	0.0	-80.71	427.64	-1.62	-82.33
CN(CCO)CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030753996	0	46	0.0	-69.36	377.69	-2.73	-72.09
C[N@H+](CCO)CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030753996	1	46	0.0	-68.65	377.47	-2.72	-71.37
C[N@@H+](CCO)CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030753996	1	46	0.0	-68.65	377.47	-2.72	-71.37
C[NH+]1C2CCC1CC(=CC(=O)NCCOC1CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030754019	0	54	0.0	-70.10	422.64	2.79	-67.31
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[N@@H+]2CCN1CCC2	REAL300030754024	0	52	0.0	-74.06	396.26	-0.27	-74.33
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[N@H+]2CCN1CCC2	REAL300030754024	1	52	0.0	-74.06	396.26	-0.27	-74.33
CC[N@@H+]1CCCC(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030754032	0	52	0.0	-71.89	411.72	2.21	-69.68
CC[N@H+]1CCCC(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030754032	1	52	0.0	-71.89	411.72	2.21	-69.68
CC(CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030754034	0	51	0.0	-71.23	406.80	1.84	-69.39
CC[N@H+](C)CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030754050	0	45	0.0	-68.28	367.34	0.50	-67.78
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@@H+]1CCCC2	REAL300030754078	0	53	0.0	-66.44	403.98	2.43	-64.01
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@H+]1CCCC2	REAL300030754078	1	53	0.0	-66.44	403.98	2.43	-64.01
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@@H+]1CC=CC2	REAL300030754087	0	51	0.0	-73.91	395.48	2.82	-71.09
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@H+]1CC=CC2	REAL300030754087	1	51	0.0	-73.91	395.48	2.82	-71.09
CC[N@H+](CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030754112	0	49	0.0	-69.28	395.82	1.95	-67.33
CC[NH+](CC)CCC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030754137	0	51	0.0	-69.28	407.56	1.75	-67.53
O=C(CCCC[NH+]1CCCCC1)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030754175	0	58	0.0	-74.44	455.99	3.93	-70.51
CC1(O)CC[N@H+](CC(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030754208	0	50	0.0	-68.85	405.82	-1.76	-70.61
C[NH+](C)CC=CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030754220	0	46	0.0	-73.44	385.57	1.05	-72.39
CC(OCC[NH+](C)C)C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030754244	0	52	0.0	-70.65	424.47	1.63	-69.02
C[NH+](C)CCOCCC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030754255	0	52	0.0	-70.21	426.44	0.63	-69.58
COCCN(C)CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030754256	0	49	0.0	-68.42	399.73	-0.34	-68.76
COCC[N@H+](C)CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030754256	1	49	0.0	-69.34	399.94	-0.33	-69.67
COCC[N@@H+](C)CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030754256	1	49	0.0	-69.34	399.94	-0.33	-69.67
COCCCC[N@H+](C)CCC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030754284	0	58	0.0	-74.44	466.38	1.65	-72.79
COCCCC[N@@H+](C)CCC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030754284	1	58	0.0	-74.44	466.38	1.65	-72.79
C[NH+](C)C1(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030754309	0	52	0.0	-76.25	400.73	2.05	-74.20
CC(CCC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030754312	0	51	0.0	-69.60	406.96	1.59	-68.01
CCN1CCC1C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030754322	0	46	0.0	-71.05	373.36	0.76	-70.29
CC[N@@H+]1CCC1C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030754322	1	46	0.0	-71.35	381.08	0.96	-70.39
CC[N@H+]1CCC1C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030754322	1	46	0.0	-71.35	381.08	0.96	-70.39
CC(C)[N@@H+]1CCCC(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030754333	0	55	0.0	-65.99	422.23	2.85	-63.14
CC(C)[N@H+]1CCCC(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030754333	1	55	0.0	-65.99	422.23	2.85	-63.14
O=C(C[N@H+]1CCCC1CO)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030754347	0	50	0.0	-67.50	402.61	-1.60	-69.10
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@@H+]2C1	REAL300030754373	0	53	0.0	-73.90	416.95	2.67	-71.23
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@H+]2C1	REAL300030754373	1	53	0.0	-73.90	416.95	2.67	-71.23
C[NH+]1CCC(C)(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030754380	0	52	0.0	-69.91	406.86	1.93	-67.98
C=CCC(C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030754420	0	49	0.0	-65.87	393.28	1.32	-64.55
C[N@@H+]1CC(C)(C)CC1C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030754438	0	52	0.0	-71.56	409.95	1.45	-70.11
C[NH+](C)CCCCCC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030754443	0	54	0.0	-72.14	436.47	2.76	-69.38
CC1C[N@@H+]2CCN1C(C(=O)NCCOC1CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030754488	0	52	0.0	-76.68	402.60	-1.10	-77.78
CCCC(C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030754489	0	51	0.0	-66.90	401.64	1.60	-65.30
C[NH+](C)C(C)(C)C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030754494	0	48	0.0	-68.85	377.07	1.01	-67.84
C[N@@H+]1CCCCC1C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030754544	0	49	0.0	-70.33	382.26	1.26	-69.07
C[N@H+]1CC=C(CC(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030754594	0	50	0.0	-69.14	408.74	2.17	-66.97
C[N@@H+]1CC=C(CC(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030754594	1	50	0.0	-69.14	408.74	2.17	-66.97
O=C(CC1([NH+]2CCCC2)CC1)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030754604	0	53	0.0	-69.34	414.72	2.57	-66.77
C[N@@H+]1CCCC(C(C)(C)C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030754660	0	58	0.0	-74.94	439.43	3.04	-71.90
C[N@H+]1CCCC(C(C)(C)C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030754660	1	58	0.0	-71.17	439.61	2.96	-68.21
C[NH+](C)CC1=CC=C(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030754665	1	49	0.0	-78.93	412.93	1.65	-77.28
C[NH+](C)CC1=CC=C(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300030754670	0	51	0.0	-77.98	423.40	1.56	-76.42
O=C(C=CC[NH+]1CCCC1)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030754687	0	50	0.0	-72.18	411.92	2.26	-69.92
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[NH+](C2CC2)CC1	REAL300030754714	0	53	0.0	-74.74	418.89	2.79	-71.95
C[NH+](C)C1(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030754737	0	46	0.0	-75.31	373.72	0.74	-74.57
O=C(CC[NH+]1CCCC1)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030754739	0	49	0.0	-73.51	397.77	1.67	-71.84
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+]2CCN1CC2	REAL300030754784	0	49	0.0	-77.14	385.76	-1.61	-78.75
C[N@H+]1CC2CC1(C(=O)NCCOC1CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030754795	1	47	0.0	-74.79	380.29	1.05	-73.74
O=C(C[N@@H+]1CC2CCC1C2)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030754810	0	50	0.0	-69.99	396.21	2.03	-67.96
O=C(C[N@H+]1CC2CCC1C2)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030754810	1	50	0.0	-69.68	393.61	1.83	-67.85
CC(C)[NH+]1CCC(CC(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030754822	0	58	0.0	-68.01	443.48	3.15	-64.86
O=C(C=C1C[NH+]2CCC1CC2)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030754872	0	51	0.0	-68.12	405.75	2.23	-65.89
O=C(C[N@@H+]1CC2C=CC1C2)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030754884	1	48	0.0	-66.62	388.96	1.81	-64.81
O=C(C[N@H+]1CC2C=CC1C2)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030754884	1	48	0.0	-65.71	388.69	1.71	-64.00
CC[NH+]1CCN(CC(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030754922	0	54	0.0	-72.61	426.20	0.11	-72.50
CC(C[NH+](C)C)C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030754947	0	48	0.0	-69.98	388.02	1.12	-68.86
C[N@@H+]1CCCCC1CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030755043	0	52	0.0	-74.52	408.72	2.13	-72.39
C[N@H+]1CCCCC1CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030755043	1	52	0.0	-74.96	408.70	2.13	-72.83
CC1=C2C=C(C(=O)NCCOC3CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030755065	1	47	0.0	-76.10	401.80	3.99	-72.11
CC(C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300030755066	1	49	0.0	-69.77	398.81	1.54	-68.23
CC1CC[N@@H+]1CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030755070	1	46	0.0	-70.21	375.27	0.74	-69.47
CC1CC[N@H+]1CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030755070	1	46	0.0	-71.35	380.82	1.00	-70.35
C[NH+](C)CC(O)CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030755075	0	49	0.0	-74.08	402.31	-1.16	-75.24
CC1C[N@H+](C)CC(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030755111	1	50	0.0	-73.64	400.98	0.94	-72.70
CC1C[N@@H+](C)CC(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030755111	1	50	0.0	-78.12	400.94	0.96	-77.16
O=C(CC[NH+]1CCC(O)CC1)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030755123	0	53	0.0	-73.25	424.70	-1.08	-74.33
CCC[N@@H+]1CCCCC1C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030755126	0	55	0.0	-68.79	421.32	2.76	-66.03
CCC[N@H+]1CCCCC1C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030755126	1	55	0.0	-64.42	430.90	2.81	-61.61
CC[NH+]1CCN(CCC(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030755131	0	57	0.0	-70.48	447.72	0.46	-70.02
CCN1CC[NH+](CCC(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030755131	1	57	0.0	-71.00	448.22	0.49	-70.51
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300030755134	0	56	0.0	-69.12	419.99	2.63	-66.49
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300030755134	1	56	0.0	-65.05	424.33	3.33	-61.72
CC(C)C[NH+]1CCC(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030755179	0	58	0.0	-71.30	450.66	3.60	-67.70
C[NH+](C)C1CCN(CC(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030755204	0	57	0.0	-73.82	442.95	0.55	-73.27
C[NH+](C)[C@H]1C[C@H](C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030755225	0	49	0.0	-70.58	399.35	1.56	-69.02
CC(CC[NH+](C)C)C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030755233	0	51	0.0	-70.95	409.65	1.75	-69.20
C[N@H+](CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300030755266	0	53	0.0	-70.00	420.45	-0.88	-70.88
C[N@@H+](CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300030755266	1	53	0.0	-70.15	420.23	-0.70	-70.85
C#CC[N@H+]1CCCCC1C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030755275	1	51	0.0	-68.34	416.72	2.72	-65.62
C#CC[N@@H+]1CCCCC1C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030755275	1	51	0.0	-65.36	407.32	2.56	-62.80
C[NH+]1CCN(CC(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030755281	1	51	0.0	-74.31	408.85	-0.56	-74.87
CC[NH+]1CCN(CC(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030755290	0	54	0.0	-72.61	426.20	0.11	-72.50
NC(=[NH2+])SCC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030755321	0	40	0.0	-70.10	357.53	-3.21	-73.31
CC[N@@H+]1CCOCC1CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030755367	0	53	0.0	-71.74	417.26	0.41	-71.33
C[NH+](C)CCC1(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030755386	0	58	0.0	-74.49	450.69	3.52	-70.97
CC1CCCC(C)[NH+]1CCC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030755388	0	58	0.0	-66.76	440.19	2.94	-63.82
C[NH+](C)C1CCC(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030755391	0	55	0.0	-71.80	421.74	2.61	-69.19
C[NH+](C)CCC1(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030755392	0	52	0.0	-73.54	424.03	2.36	-71.18
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030755396	0	55	0.0	-71.47	421.90	2.54	-68.93
C[N@@H+]1CC=CCC1CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030755397	0	50	0.0	-75.84	400.69	1.98	-73.86
C[N@H+]1CC=CCC1CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030755397	1	50	0.0	-75.84	400.69	1.98	-73.86
C[C@@H](OCC[NH+](C)C)C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030755426	0	52	0.0	-70.78	425.26	1.60	-69.18
C[NH+]1C2CCC1CC(C(=O)NCCOC1CN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030755460	0	53	0.0	-66.36	392.54	2.40	-63.96
CC(C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300030755601	1	50	0.0	-69.40	404.98	1.69	-67.71
CCC1C[NH+](CC(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030755603	1	49	0.0	-69.38	402.27	1.70	-67.68
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+](C2CCOCC2)C1	REAL300030755605	0	54	0.0	-73.02	432.81	0.79	-72.23
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1([NH+]2CCCC2)CCC1	REAL300030755607	0	53	0.0	-71.77	409.49	2.64	-69.13
C[N@H+]1CCC[C@H]1C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030755618	1	46	0.0	-72.15	369.49	0.47	-71.68
O=C(CC[N@@H+]1CCC(F)C1)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030755627	1	49	0.0	-78.03	403.54	1.69	-76.34
COC1C[N@@H+](C)C(C)(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030755636	1	53	0.0	-73.47	419.89	0.38	-73.09
O=C(CC[NH+]1CCCCCC1)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030755649	0	55	0.0	-71.32	423.63	2.46	-68.86
O=C(C[NH+]1CCCCC1)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030755651	0	49	0.0	-71.71	391.55	1.81	-69.90
CC1C(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030755661	0	49	0.0	-72.34	390.62	1.15	-71.19
CC1C(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030755661	1	49	0.0	-67.56	390.66	1.13	-66.43
C[N@@H+]1CCCCC1CCC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030755663	0	55	0.0	-72.48	430.84	2.84	-69.64
C[N@H+]1CCCCC1CCC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030755663	1	55	0.0	-72.03	430.51	2.84	-69.19
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+]2CCOCC12	REAL300030755697	0	51	0.0	-69.90	404.59	0.25	-69.65
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+]2CCOCC12	REAL300030755697	1	51	0.0	-67.48	404.67	0.26	-67.22
CC1=[NH+]C=C2C=CC(C(=O)NCCOC3CN(C(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300030755705	0	47	0.0	-70.45	401.03	3.19	-67.26
CN1CCOCC1CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030755724	0	50	0.0	-68.38	392.57	-0.40	-68.78
C[N@@H+]1CCOCC1CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030755724	1	50	0.0	-70.27	392.61	-0.40	-70.67
C[N@H+]1CCOCC1CC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030755724	1	50	0.0	-68.38	392.57	-0.40	-68.78
CC1=C(C)[NH+]=C(CCC(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030755734	1	50	0.0	-64.70	419.85	1.13	-63.57
CC(C)C[N@@H+]1CCCC(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030755749	0	58	0.0	-71.59	450.66	3.65	-67.94
CC(C)C[N@H+]1CCCC(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030755749	1	58	0.0	-64.09	444.36	3.84	-60.25
C[N@@H+]1CCCC1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030755916	0	46	0.0	-70.81	376.82	0.93	-69.88
C[N@H+]1CCCC1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030755916	1	46	0.0	-70.19	375.03	0.98	-69.21
C[N@@H+]1CCOC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030755942	1	47	0.0	-79.93	377.26	0.17	-79.76
C[N@H+]1CCOC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030755942	1	47	0.0	-76.92	377.57	0.13	-76.79
CC1=[NH+]C=CN1CCCC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030756111	1	50	0.0	-72.73	422.47	2.95	-69.78
O=C(CCCC[NH+]1CCOCC1)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030756115	1	56	0.0	-79.98	449.76	1.64	-78.34
C[NH+](C)CC1=CC=C(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300030756121	0	52	0.0	-85.59	425.41	3.06	-82.53
O=C(CC[NH+]1CCOCC1)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030756122	1	50	0.0	-74.33	406.80	-0.02	-74.35
CCC[NH+](CCC)CCCC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030756145	0	60	0.0	-76.41	469.58	3.96	-72.45
O=C(NCCOC1CN(C(=O)C23CCC[NH+]2CCC3)C1)C1=CC(=O)[N-]O1	REAL300030756161	0	50	0.0	-68.51	391.30	1.61	-66.90
O=C(NCCOC1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1)C1=CC(=O)[N-]O1	REAL300030756179	1	44	0.0	-81.12	377.49	3.12	-78.00
C[NH+](C)C1CCCC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030756251	0	55	0.0	-72.74	430.98	2.69	-70.05
C[N@@H+]1CCC(CC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030756255	0	49	0.0	-76.72	398.27	1.61	-75.11
C[N@H+]1CCC(CC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030756255	1	49	0.0	-77.33	397.79	1.65	-75.68
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030756268	0	48	0.0	-80.77	400.33	0.21	-80.56
CCC(C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030756274	0	48	0.0	-67.77	384.50	1.15	-66.62
O=C(NCCOC1CN(C(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)C1)C1=CC(=O)[N-]O1	REAL300030756283	1	47	0.0	-86.78	409.04	1.53	-85.25
CC1CC2CCC(C(=O)N3CC(OCCNC(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300030756330	0	56	0.0	-68.71	440.04	3.20	-65.51
CC1CC2CCC(C(=O)N3CC(OCCNC(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300030756330	1	56	0.0	-63.11	431.15	3.27	-59.84
C[NH+](C)CCCCC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030756360	0	51	0.0	-77.90	416.86	2.11	-75.79
CC(C)C(C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030756383	0	51	0.0	-71.44	395.67	1.55	-69.89
CCC[N@H+](C)CCC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030756385	0	51	0.0	-72.45	413.11	1.93	-70.52
CCC[N@@H+](C)CCC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030756385	1	51	0.0	-76.65	413.10	1.99	-74.66
CCC[N@H+](C)CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030756391	0	48	0.0	-73.13	390.73	1.45	-71.68
CCC[N@@H+](C)CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030756391	1	48	0.0	-73.13	390.73	1.45	-71.68
O=C(NCCOC1CN(C(=O)C23CC[N@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300030756420	0	50	0.0	-82.55	386.08	0.91	-81.64
O=C(NCCOC1CN(C(=O)C23CC[N@@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300030756420	1	50	0.0	-71.45	387.93	1.03	-70.42
CCCCCC[N@H+](C)CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030756464	0	57	0.0	-74.28	455.22	3.79	-70.49
CCCCCC[N@@H+](C)CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030756464	1	57	0.0	-74.41	455.23	3.79	-70.62
CC[NH+](CC)C(C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300030756472	0	57	0.0	-66.89	428.59	2.76	-64.13
CC1CC[NH+](CC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030756511	0	52	0.0	-73.29	414.08	2.52	-70.77
O=C(NCCOC1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1)C1=CC(=O)[N-]O1	REAL300030756539	1	47	0.0	-82.09	405.96	1.14	-80.95
C[NH+]1CCC(OCC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030756548	0	53	0.0	-81.91	431.42	2.18	-79.73
O=C(NCCOC1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030756614	0	53	0.0	-78.28	416.43	2.54	-75.74
O=C(NCCOC1CN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030756614	1	53	0.0	-68.75	418.77	2.63	-66.12
C[NH+](C)CC1(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030756627	0	49	0.0	-75.97	391.25	1.55	-74.42
CC1=[NH+]C=C2CCC(C(=O)N3CC(OCCNC(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300030756628	1	51	0.0	-66.08	420.49	2.65	-63.43
CC(C)[NH+]1CCC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030756640	0	55	0.0	-76.81	427.81	2.68	-74.13
CC[N@H+](C)CCC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030756673	0	48	0.0	-71.84	391.63	1.21	-70.63
CC[N@@H+](C)CCC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030756673	1	48	0.0	-75.94	391.60	1.25	-74.69
CC(C)(C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300030756704	0	55	0.0	-71.76	415.03	2.89	-68.87
O=C(NCCOC1CN(C(=O)C2C[NH+]3CCC2CC3)C1)C1=CC(=O)[N-]O1	REAL300030756722	0	50	0.0	-78.67	391.39	1.74	-76.93
C[NH+]1CCC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030756813	0	49	0.0	-79.39	393.50	1.49	-77.90
CC(C)[C@H](C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030756834	0	51	0.0	-70.58	396.17	1.76	-68.82
O=C(NCCOC1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C1)C1=CC(=O)[N-]O1	REAL300030756919	0	56	0.0	-79.49	442.64	3.70	-75.79
CC[NH+](CC)CC(F)C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030756964	0	51	0.0	-76.88	413.72	1.99	-74.89
C[NH+](C)CC1=C(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)SC=C1	REAL300030756965	0	49	0.0	-64.30	412.84	2.34	-61.96
CC(C)C[N@@H+]1CCC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030757007	0	55	0.0	-73.68	435.04	2.90	-70.78
CC(C)C[N@H+]1CCC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030757007	1	55	0.0	-74.73	432.81	2.89	-71.84
C[NH+](C)C1(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300030757011	0	49	0.0	-73.31	381.59	1.27	-72.04
CCC(C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030757046	0	54	0.0	-67.69	414.02	1.97	-65.72
CC1CCC[N@@H+]1CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030757074	0	49	0.0	-65.96	390.17	1.39	-64.57
CC1CCC[N@H+]1CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030757074	1	49	0.0	-69.45	390.17	1.33	-68.12
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030757158	1	53	0.0	-69.45	436.96	3.20	-66.25
CC(C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300030757165	0	55	0.0	-66.21	421.05	2.34	-63.87
CC(C)[N@@H+]1CCCCC1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030757167	0	55	0.0	-64.66	416.21	2.30	-62.36
CC(C)[N@H+]1CCCCC1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030757167	1	55	0.0	-66.26	424.42	2.56	-63.70
CC(C)[N@@H+]1CCCC1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030757197	0	52	0.0	-69.11	409.43	2.08	-67.03
CC(C)[N@H+]1CCCC1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030757197	1	52	0.0	-71.61	402.71	2.56	-69.05
C[NH+](C)C(CN1C=CC=N1)C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030757203	1	52	0.0	-66.22	423.26	1.21	-65.01
CC(C)[N@@H+]1CCCC1CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030757208	0	55	0.0	-64.71	420.66	2.57	-62.14
CC(C)[N@H+]1CCCC1CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030757208	1	55	0.0	-72.85	430.85	2.67	-70.18
O=C(NCCOC1CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300030757209	0	56	0.0	-69.47	435.13	3.39	-66.08
O=C(NCCOC1CN(C(=O)C2CCC[N@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300030757209	1	56	0.0	-71.27	436.72	3.38	-67.89
CC(C)[C@@H](C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030757230	0	51	0.0	-72.76	396.54	1.88	-70.88
CC1CC[N@H+](CC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030757259	0	49	0.0	-67.95	397.71	1.69	-66.26
CC1CC[N@@H+](CC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030757259	1	49	0.0	-68.40	396.86	1.65	-66.75
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030757260	0	55	0.0	-68.47	431.83	2.28	-66.19
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030757260	1	55	0.0	-69.34	432.15	2.27	-67.07
CC1=[NH+]C=C2CC(C(=O)N3CC(OCCNC(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300030757262	1	51	0.0	-72.89	418.19	2.60	-70.29
CC1(C)CC[N@H+](CC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030757265	0	52	0.0	-68.27	416.40	2.19	-66.08
CC1(C)CC[N@@H+](CC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030757265	1	52	0.0	-72.39	416.79	2.18	-70.21
C[N@H+](CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030757266	0	54	0.0	-72.97	419.34	2.42	-70.55
C[N@@H+](CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030757266	1	54	0.0	-72.91	421.28	2.59	-70.32
CC[C@@H](C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030757277	0	48	0.0	-70.94	381.41	1.02	-69.92
CC(COCC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300030757285	0	56	0.0	-69.09	450.17	2.77	-66.32
CN(CCC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300030757438	0	51	0.0	-71.98	426.22	1.71	-70.27
CC1=[NH+]C=CN1CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030757553	1	44	0.0	-69.99	380.90	1.56	-68.43
CC(C[NH+]1CCOCC1)C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030757555	0	53	0.0	-73.74	423.72	0.63	-73.11
O=C(CCC[NH+]1CCCCC1)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030757577	0	55	0.0	-76.01	437.00	3.28	-72.73
C[NH+](C)CC1=CC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300030757598	1	48	0.0	-82.25	408.54	1.11	-81.14
CC1=C(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300030757600	0	47	0.0	-70.00	403.82	3.79	-66.21
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030757645	1	50	0.0	-68.77	417.15	2.76	-66.01
O=C(NCCOC1CN(C(=O)C2CCCC3CCC[N@@H+]32)C1)C1=CC(=O)[N-]O1	REAL300030757695	0	53	0.0	-65.00	404.00	2.19	-62.81
O=C(NCCOC1CN(C(=O)C2CCCC3CCC[N@H+]32)C1)C1=CC(=O)[N-]O1	REAL300030757695	1	53	0.0	-66.62	413.91	2.57	-64.05
CC[N@@H+]1CCOC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030757728	1	50	0.0	-82.75	404.55	0.96	-81.79
CC[N@H+]1CCOC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030757728	1	50	0.0	-73.41	397.10	0.84	-72.57
O=C(NCCOC1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300030757797	0	44	0.0	-76.02	377.20	3.09	-72.93
CC1=C[NH+]=CN1CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030757802	1	44	0.0	-73.62	381.26	2.38	-71.24
C[NH+](C)CCN1C=C(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C=N1	REAL300030757806	0	52	0.0	-80.47	431.09	1.12	-79.35
C[NH+](C)CCN1C=CC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030757820	0	52	0.0	-88.02	434.03	1.60	-86.42
C[C@@H]1[C@H](C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030757826	0	49	0.0	-77.34	388.70	1.36	-75.98
C[C@@H]1[C@H](C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030757826	1	49	0.0	-69.71	392.96	1.56	-68.15
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030757829	1	53	0.0	-69.35	437.45	3.18	-66.17
CC[C@@H]1[C@@H](C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030757832	0	52	0.0	-77.00	405.35	1.59	-75.41
CC[C@@H]1[C@@H](C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030757832	1	52	0.0	-76.50	410.51	1.96	-74.54
CC1CCC(C)[NH+]1CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030757852	0	52	0.0	-69.01	408.23	1.89	-67.12
O=C(CCC[NH+]1CCCC1)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030757859	0	52	0.0	-75.70	421.33	2.57	-73.13
C[NH+](C)CC1=CC=CC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030757860	0	52	0.0	-79.02	425.35	3.05	-75.97
C#CC[NH+]1CCC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030757868	0	51	0.0	-76.39	416.74	2.62	-73.77
O=C(CC[NH+]1CCCCC1)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030757869	0	52	0.0	-71.19	415.51	2.48	-68.71
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030757874	0	52	0.0	-66.65	421.11	3.25	-63.40
CC[N@@H+]1CCCCC1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030757883	0	52	0.0	-63.64	411.10	2.19	-61.45
CC[N@H+]1CCCCC1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030757883	1	52	0.0	-68.30	410.95	2.17	-66.13
CC(C)C(C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300030757884	0	58	0.0	-68.40	438.43	3.59	-64.81
C[NH+](C)C(C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300030757887	1	52	0.0	-72.02	426.11	3.51	-68.51
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030757893	1	51	0.0	-72.80	423.12	4.10	-68.70
C[NH+](C)CC1(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CCCCC1	REAL300030757936	0	58	0.0	-74.57	428.47	3.33	-71.24
C[N@H+](CCC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300030757942	0	58	0.0	-76.94	449.91	3.64	-73.30
C[N@@H+](CCC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)C1CCCCC1	REAL300030757942	1	58	0.0	-76.59	449.91	3.64	-72.95
C[NH+](C)C1(CC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030757944	0	55	0.0	-77.54	415.33	2.49	-75.05
C[N@H+](CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030758167	0	49	0.0	-70.71	397.60	2.02	-68.69
C[N@@H+](CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030758167	1	49	0.0	-71.15	397.73	1.96	-69.19
CC(C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300030758198	0	55	0.0	-69.76	416.12	3.24	-66.52
O=C(CCCC[NH+]1CCCC1)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030758215	0	55	0.0	-76.54	442.83	3.36	-73.18
C[N@H+](CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300030758217	1	52	0.0	-77.39	428.16	3.63	-73.76
C[N@@H+](CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300030758217	1	52	0.0	-77.47	428.21	3.63	-73.84
C[NH+]1CCC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030758232	0	49	0.0	-79.39	393.50	1.49	-77.90
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030758297	0	46	0.0	-70.09	370.61	0.47	-69.62
C[N@H+]1CCC[C@@H]1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030758297	1	46	0.0	-70.10	372.82	0.92	-69.18
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030758321	1	48	0.0	-71.04	397.12	1.75	-69.29
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030758321	1	48	0.0	-71.44	402.89	2.27	-69.17
C[N@@H+]1CCCC1CCC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030758330	0	52	0.0	-78.84	418.86	2.55	-76.29
C[N@H+]1CCCC1CCC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030758330	1	52	0.0	-74.71	413.44	2.08	-72.63
O=C(NCCOC1CN(C(=O)C23CCC[NH+](CCC2)C3)C1)C1=CC(=O)[N-]O1	REAL300030758342	0	53	0.0	-75.58	401.50	1.79	-73.79
O=C(NCCOC1CN(C(=O)C2CCC3CCCC[N@@H+]32)C1)C1=CC(=O)[N-]O1	REAL300030758350	0	53	0.0	-67.84	417.43	2.83	-65.01
O=C(NCCOC1CN(C(=O)C2CCC3CCCC[N@H+]32)C1)C1=CC(=O)[N-]O1	REAL300030758350	1	53	0.0	-68.93	411.92	2.52	-66.41
CCC[N@@H+]1CCCC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030758442	0	55	0.0	-70.59	432.95	2.79	-67.80
CCC[N@H+]1CCCC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030758442	1	55	0.0	-74.46	432.99	2.77	-71.69
CC(C)[N@@H+]1CCOC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030758464	0	53	0.0	-76.57	412.08	1.27	-75.30
CC(C)[N@H+]1CCOC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030758464	1	53	0.0	-83.20	418.79	1.50	-81.70
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030758483	0	56	0.0	-71.55	426.11	0.57	-70.98
C[N@@H+]1CCCCC1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030758503	0	49	0.0	-68.37	381.94	1.16	-67.21
C[N@H+]1CCCCC1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030758503	1	49	0.0	-69.30	393.16	1.53	-67.77
CC(C)C[N@@H+]1CCCC1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030758534	0	55	0.0	-67.95	429.56	2.57	-65.38
CC(C)C[N@H+]1CCCC1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030758534	1	55	0.0	-70.17	433.40	3.13	-67.04
O=C(C[NH+]1CCC(CO)CC1)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030758555	0	53	0.0	-75.96	424.92	-0.79	-76.75
C[NH+]1C2CCC1CC(=CC(=O)N1CC(OCCNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030758592	0	54	0.0	-74.74	424.30	2.96	-71.78
CC1C(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030758611	0	49	0.0	-74.63	389.45	1.12	-73.51
CC1C(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030758611	1	49	0.0	-73.43	388.86	1.25	-72.18
C[N@@H+]1CCCCC1CCC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030758614	0	55	0.0	-74.03	432.83	2.89	-71.14
C[N@H+]1CCCCC1CCC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030758614	1	55	0.0	-79.10	425.44	2.79	-76.31
NC1=[NH+]C2=C(C=C1C(=O)N1CC(OCCNC(=O)C3=CC(=O)[N-]O3)C1)CCC2	REAL300030758652	1	49	0.0	-65.64	403.25	0.83	-64.81
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030758734	0	52	0.0	-65.64	391.55	1.10	-64.54
CC(C)(C)[N@H+]1CCC1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030758734	1	52	0.0	-70.54	412.99	1.76	-68.78
C[C@@H](C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030758758	0	45	0.0	-72.56	368.90	0.40	-72.16
C[NH+](C)CC1=CC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)=CC=N1	REAL300030758778	1	51	0.0	-75.01	421.39	1.64	-73.37
C=CCC(C)(C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030758784	0	52	0.0	-66.66	399.26	1.69	-64.97
NC1=C(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]C2=CC=CC=C21	REAL300030758815	1	48	0.0	-68.31	400.66	0.27	-68.04
O=C(CC[NH+]1CCCC1)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030758819	0	49	0.0	-75.40	399.83	1.77	-73.63
C[N@H+](CCO)CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030758829	1	46	0.0	-74.10	379.58	-2.53	-76.63
C[N@@H+](CCO)CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030758829	1	46	0.0	-73.48	379.38	-2.53	-76.01
O=C(NCCOC1CN(C(=O)C2C[N@@H+]3CCN2CCC3)C1)C1=CC(=O)[N-]O1	REAL300030758874	0	52	0.0	-75.06	396.48	-0.50	-75.56
O=C(NCCOC1CN(C(=O)C2C[N@H+]3CCN2CCC3)C1)C1=CC(=O)[N-]O1	REAL300030758874	1	52	0.0	-82.83	396.47	-0.39	-83.22
CC(C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300030758905	1	50	0.0	-74.04	404.67	1.77	-72.27
C[N@H+]1CC=C(CC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030758953	0	50	0.0	-71.66	410.65	2.31	-69.35
C[N@@H+]1CC=C(CC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030758953	1	50	0.0	-70.20	410.65	2.30	-67.90
C[S+](C)CCC(O)C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030758970	0	48	0.0	-79.45	413.97	-0.45	-79.90
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030758994	0	50	0.0	-75.24	391.37	-2.11	-77.35
C[N@H+]1CC(O)CC1(C)C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030758994	1	50	0.0	-79.59	392.82	-2.23	-81.82
CN1CC[N@H+](C)CC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030759010	0	54	0.0	-72.33	418.20	-0.12	-72.45
CN1CC[N@@H+](C)CC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030759010	1	54	0.0	-72.17	424.80	-0.38	-72.55
CC(C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300030759011	0	53	0.0	-68.88	420.05	-0.95	-69.83
CC(C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300030759011	1	53	0.0	-73.05	421.64	-1.10	-74.15
NC1=[NH+]C=C2CCCC2=C1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030759045	0	49	0.0	-73.59	412.03	0.85	-72.74
C[N@@H+]1CCCC(O)(CC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030759052	0	53	0.0	-73.68	418.91	0.51	-73.17
C[N@H+]1CCCC(O)(CC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030759052	1	53	0.0	-68.91	421.81	0.42	-68.49
CC1C[NH+](CC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030759059	1	46	0.0	-73.42	382.80	1.12	-72.30
CC[N@@H+]1CCCC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030759067	0	52	0.0	-73.45	414.54	2.22	-71.23
CC[N@H+]1CCCC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030759067	1	52	0.0	-73.96	411.12	2.09	-71.87
NC1=[NH+]C=CC=C1CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030759077	0	45	0.0	-69.77	385.74	-0.15	-69.92
O=C(NCCOC1CN(C(=O)C2CCC[N@@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300030759092	0	50	0.0	-65.05	403.24	2.30	-62.75
O=C(NCCOC1CN(C(=O)C2CCC[N@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300030759092	1	50	0.0	-70.00	401.11	1.84	-68.16
O=C(C=CC[NH+]1CCCC1)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030759145	0	50	0.0	-78.80	413.68	2.37	-76.43
O=C(NCCOC1CN(C(=O)C2CC[NH+](C3CC3)CC2)C1)C1=CC(=O)[N-]O1	REAL300030759174	0	53	0.0	-76.63	418.30	2.69	-73.94
CC[N@H+](C)CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030759227	0	45	0.0	-72.84	369.23	0.63	-72.21
O=C(CN1CC2C=CC1C2)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030759294	0	48	0.0	-71.08	391.07	1.93	-69.15
O=C(C[N@@H+]1CC2C=CC1C2)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030759294	1	48	0.0	-65.58	390.50	1.83	-63.75
O=C(C[N@H+]1CC2C=CC1C2)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030759294	1	48	0.0	-65.58	390.50	1.83	-63.75
CC1=CC=C(NCCC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)N=C1	REAL300030759319	0	51	0.0	-67.31	430.38	1.45	-65.86
CC1=CC=C(NCCC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)[NH+]=C1	REAL300030759319	1	51	0.0	-67.31	430.38	1.45	-65.86
O=C(NCCOC1CN(C(=O)C23CCC[N@@H+]2CCCC3)C1)C1=CC(=O)[N-]O1	REAL300030759452	0	53	0.0	-67.80	402.67	2.30	-65.50
O=C(NCCOC1CN(C(=O)C23CCC[N@H+]2CCCC3)C1)C1=CC(=O)[N-]O1	REAL300030759452	1	53	0.0	-67.80	402.67	2.30	-65.50
O=C(NCCOC1CN(C(=O)C23CCC[N@@H+]2CC=CC3)C1)C1=CC(=O)[N-]O1	REAL300030759463	0	51	0.0	-64.31	395.37	1.82	-62.49
O=C(NCCOC1CN(C(=O)C23CCC[N@H+]2CC=CC3)C1)C1=CC(=O)[N-]O1	REAL300030759463	1	51	0.0	-64.31	395.37	1.82	-62.49
CC(OCC[NH+](C)C)C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030759475	0	52	0.0	-75.81	423.74	1.65	-74.16
C[NH+](C)CCOCCC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030759487	0	52	0.0	-75.87	428.32	0.83	-75.04
COCCN(C)CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030759489	0	49	0.0	-73.12	401.62	-0.13	-73.25
COCC[N@H+](C)CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030759489	1	49	0.0	-74.38	401.83	-0.13	-74.51
COCC[N@@H+](C)CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030759489	1	49	0.0	-74.38	401.83	-0.13	-74.51
CC(CCC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030759496	0	51	0.0	-77.92	404.85	1.78	-76.14
CC[N@H+](CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030759532	0	49	0.0	-70.11	397.56	2.05	-68.06
CC1C[N@@H+]2CCN1C(C(=O)N1CC(OCCNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030759552	0	52	0.0	-79.35	403.03	-1.12	-80.47
C[N@@H+]1CC2CC1(C(=O)N1CC(OCCNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030759587	0	47	0.0	-77.61	377.86	1.06	-76.55
CC1=NC(N)=CC=C1C=CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030759597	0	49	0.0	-74.99	416.22	0.69	-74.30
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030759597	1	49	0.0	-74.99	416.22	0.69	-74.30
O=C(C[N@@H+]1CC2CCC1C2)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030759606	0	50	0.0	-70.29	395.86	1.87	-68.42
O=C(C[N@H+]1CC2CCC1C2)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030759606	1	50	0.0	-70.29	395.86	1.87	-68.42
CC(C)[NH+]1CCC(CC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030759622	0	58	0.0	-72.04	449.01	3.54	-68.50
CC(C[NH+](C)C)C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030759636	0	48	0.0	-68.86	391.83	1.18	-67.68
CCN1CCC1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030759697	0	46	0.0	-67.60	375.70	0.74	-66.86
CC[N@@H+]1CCC1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030759697	1	46	0.0	-71.28	375.29	0.57	-70.71
CC[N@H+]1CCC1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030759697	1	46	0.0	-71.28	375.29	0.57	-70.71
CC(C)[N@@H+]1CCCC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030759711	0	55	0.0	-63.05	421.15	2.76	-60.29
CC(C)[N@H+]1CCCC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030759711	1	55	0.0	-63.05	421.15	2.76	-60.29
CCC(C)(C)[NH2+]C(C)C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030759733	0	54	0.0	-70.80	417.11	0.71	-70.09
C#CCN1CCCCC1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030759787	0	51	0.0	-68.27	418.46	2.83	-65.44
C#CC[N@H+]1CCCCC1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030759787	1	51	0.0	-64.20	418.63	2.74	-61.46
C#CC[N@@H+]1CCCCC1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030759787	1	51	0.0	-64.20	418.63	2.74	-61.46
CNC1=NC(C)=CC=C1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030759791	0	48	0.0	-67.64	399.17	0.70	-66.94
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030759791	1	48	0.0	-67.64	399.17	0.70	-66.94
CCCC(C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030759804	0	51	0.0	-71.71	404.35	1.87	-69.84
C[NH+](C)C(C)(C)C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030759812	0	48	0.0	-77.04	372.81	1.07	-75.97
CC(CC[NH+](C)C)C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030759838	0	51	0.0	-76.29	413.06	1.81	-74.48
O=C(NCCOC1CN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1)C1=CC(=O)[N-]O1	REAL300030759898	0	56	0.0	-75.81	419.28	2.57	-73.24
O=C(NCCOC1CN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1)C1=CC(=O)[N-]O1	REAL300030759898	1	56	0.0	-66.22	423.56	3.26	-62.96
O=C(NCCOC1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1)C1=CC(=O)[N-]O1	REAL300030759935	0	51	0.0	-66.02	409.42	2.43	-63.59
O=C(NCCOC1CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1)C1=CC(=O)[N-]O1	REAL300030759935	1	51	0.0	-68.31	400.50	2.85	-65.46
COCCCC[N@H+](C)CCC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030759980	0	58	0.0	-76.18	468.28	1.78	-74.40
COCCCC[N@@H+](C)CCC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030759980	1	58	0.0	-80.49	468.27	1.85	-78.64
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030759992	0	52	0.0	-65.52	414.26	2.05	-63.47
C[N@H+]1CC(C)(C)CC1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030759992	1	52	0.0	-72.58	411.00	1.50	-71.08
C[NH+](C)CCCCCC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030759998	0	54	0.0	-77.32	438.36	2.95	-74.37
O=C(CC[NH+]1CCC(O)CC1)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030760003	0	53	0.0	-78.41	426.60	-0.87	-79.28
CCC[N@@H+]1CCCCC1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030760009	0	55	0.0	-69.92	432.20	2.91	-67.01
CCC[N@H+]1CCCCC1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030760009	1	55	0.0	-70.63	420.78	2.59	-68.04
CC[NH+]1CCN(CCC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030760019	0	57	0.0	-76.39	449.61	0.66	-75.73
CCN1CC[NH+](CCC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030760019	1	57	0.0	-76.58	450.11	0.70	-75.88
C[NH+]1CCN(CC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030760023	1	51	0.0	-75.49	410.49	-0.48	-75.97
CC(C)C[NH+]1CCC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030760157	0	58	0.0	-78.80	449.96	3.58	-75.22
CC1C[N@H+](C)CC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030760160	1	50	0.0	-74.54	400.87	0.86	-73.68
CC1C[N@@H+](C)CC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030760160	1	50	0.0	-84.13	400.88	1.09	-83.04
CCC1CCC[N@H+](CC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030760196	0	55	0.0	-69.19	425.48	3.05	-66.14
CCC1CCC[N@@H+](CC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030760196	1	55	0.0	-68.78	425.03	2.65	-66.13
C[NH+](C)CC1=CC=C(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030760207	0	50	0.0	-80.13	414.15	1.11	-79.02
O=C(C[NH+]1CC2CC2C1)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030760230	0	47	0.0	-73.01	387.23	1.91	-71.10
O=C(CC1([NH+]2CCCC2)CC1)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030760249	0	53	0.0	-71.17	416.58	2.80	-68.37
CC([NH2+]C1(CO)CCCC1)C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030760267	0	56	0.0	-71.92	438.21	-1.83	-73.75
C[N@@H+]1CCCCC1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030760300	0	49	0.0	-68.37	381.94	1.16	-67.21
C[N@H+]1CCCCC1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030760300	1	49	0.0	-69.30	393.16	1.53	-67.77
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030760313	0	58	0.0	-67.62	443.80	3.70	-63.92
CC(C)C[N@H+]1CCCC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030760313	1	58	0.0	-64.16	440.82	3.67	-60.49
C[NH+](C)C1CCN(CC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030760379	0	57	0.0	-75.48	444.80	0.73	-74.75
C[N@@H+]1CCC(=CC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030760453	0	47	0.0	-78.95	390.09	1.57	-77.38
C[N@H+]1CCC(=CC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030760453	1	47	0.0	-75.40	390.29	1.50	-73.90
O=C(CNC1=CC=[NH+]C=C1)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030760459	0	45	0.0	-74.92	387.22	-0.70	-75.62
CC[NH+]1CCN(CC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030760529	0	54	0.0	-74.19	428.23	0.20	-73.99
O=C(C=C1C[NH+]2CCC1CC2)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030760532	0	51	0.0	-70.62	407.65	2.44	-68.18
C[NH+](C)C1(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030760584	0	52	0.0	-77.89	393.72	1.63	-76.26
C[N@H+](CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300030760601	0	53	0.0	-68.49	422.40	-0.64	-69.13
C[N@@H+](CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300030760601	1	53	0.0	-71.31	422.49	-0.83	-72.14
CCC1C[NH+](CC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030760609	1	49	0.0	-74.36	404.16	1.88	-72.48
O=C(NCCOC1CN(C(=O)C2C[NH+](C3CCOCC3)C2)C1)C1=CC(=O)[N-]O1	REAL300030760613	0	54	0.0	-78.97	434.78	0.99	-77.98
O=C(NCCOC1CN(C(=O)C2([NH+]3CCCC3)CCC2)C1)C1=CC(=O)[N-]O1	REAL300030760615	0	53	0.0	-73.33	403.65	2.38	-70.95
C[N@@H+]1CCC[C@H]1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030760631	0	46	0.0	-70.30	375.90	0.93	-69.37
C[N@H+]1CCC[C@H]1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030760631	1	46	0.0	-73.25	370.45	0.53	-72.72
CC[N@@H+]1CCOCC1CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030760671	0	53	0.0	-73.02	415.22	0.28	-72.74
O=C(NCCOC1CN(C(=O)C2C[NH+](C3CCCCC3)C2)C1)C1=CC(=O)[N-]O1	REAL300030760699	0	56	0.0	-71.86	443.03	3.33	-68.53
COC1C[N@@H+]2CCCC2(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030760716	0	54	0.0	-68.12	425.53	0.43	-67.69
COC1C[N@H+]2CCCC2(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030760716	1	54	0.0	-68.12	425.53	0.43	-67.69
NC1=NC2=CC(C(=O)N3CC(OCCNC(=O)C4=CC(=O)[N-]O4)C3)=CC=C2N1	REAL300030760788	0	46	0.0	-77.37	391.39	0.84	-76.53
NC1=[NH+]C2=CC(C(=O)N3CC(OCCNC(=O)C4=CC(=O)[N-]O4)C3)=CC=C2N1	REAL300030760788	1	46	0.0	-77.37	391.39	0.84	-76.53
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030760837	0	49	0.0	-73.83	401.19	1.71	-72.12
C[NH+](C)CCC1(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030760850	0	58	0.0	-76.22	446.22	3.21	-73.01
CC1CCCC(C)[NH+]1CCC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030760852	0	58	0.0	-72.41	442.09	3.14	-69.27
C[NH+](C)C1CCC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030760855	0	55	0.0	-69.25	421.17	2.50	-66.75
C[NH+](C)CCC1(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030760856	0	52	0.0	-68.24	425.50	2.41	-65.83
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030760861	0	55	0.0	-67.88	420.77	2.39	-65.49
C[N@@H+]1CC=CCC1CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030760862	0	50	0.0	-62.91	397.74	1.97	-60.94
C[N@H+]1CC=CCC1CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030760862	1	50	0.0	-72.71	402.77	2.03	-70.68
CC1=CC(C=CC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)=C[NH+]=C1N	REAL300030760925	1	49	0.0	-78.15	416.41	0.99	-77.16
C[NH+](C)CCOCC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030760940	0	49	0.0	-74.38	407.37	1.14	-73.24
CCCCC[N@H+](C)CCC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030760947	0	57	0.0	-73.40	456.11	3.49	-69.91
CCCCC[N@@H+](C)CCC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030760947	1	57	0.0	-77.52	456.10	3.56	-73.96
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030760961	0	53	0.0	-75.73	428.17	1.97	-73.76
[NH2+]=C1SC=CN1CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030760992	0	42	0.0	-70.19	378.56	0.21	-69.98
C[C@@H](OCC[NH+](C)C)C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030761086	0	52	0.0	-72.00	422.55	1.65	-70.35
O=C(CC[NH+]1CCCCCC1)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030761155	0	55	0.0	-75.67	423.43	2.73	-72.94
C[N@@H+]1CCCC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030761161	0	49	0.0	-75.68	393.46	1.43	-74.25
C[N@H+]1CCCC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030761161	1	49	0.0	-75.68	393.46	1.43	-74.25
O=C(C[NH+]1CCCCCC1)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030761169	0	52	0.0	-71.87	402.58	2.09	-69.78
CN1C=C[N+](CC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030761176	0	44	0.0	-71.76	382.73	3.54	-68.22
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030761195	0	58	0.0	-76.92	433.88	2.70	-74.22
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030761195	1	58	0.0	-76.92	433.88	2.70	-74.22
CN(C)CC1=CC=C(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030761201	0	49	0.0	-83.16	413.96	1.80	-81.36
C[NH+](C)CC1=CC=C(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030761201	1	49	0.0	-83.16	413.96	1.80	-81.36
O=C(CN1CCC(O)CC1)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030761228	0	50	0.0	-77.58	404.33	-1.45	-79.03
O=C(C[NH+]1CCC(O)CC1)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030761228	1	50	0.0	-77.58	404.33	-1.45	-79.03
C[N@H+](CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030761234	0	46	0.0	-70.72	380.92	1.44	-69.28
CC(C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)N1CCN(C)CC1	REAL300030761236	0	54	0.0	-70.80	419.88	-0.39	-71.19
CC(C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300030761236	1	54	0.0	-70.80	419.88	-0.39	-71.19
O=C(CC[N@H+]1CCC(F)C1)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030761240	0	49	0.0	-76.62	405.96	1.78	-74.84
COC1C[N@H+](C)C(C)(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030761256	0	53	0.0	-76.00	413.46	0.26	-75.74
CC(CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030761279	0	51	0.0	-76.75	408.69	2.05	-74.70
O=C(NCCOC1CN(C(=O)C2CC[N@@H+]3CCOCC23)C1)C1=CC(=O)[N-]O1	REAL300030761301	0	51	0.0	-71.93	404.65	0.24	-71.69
O=C(NCCOC1CN(C(=O)C2CC[N@H+]3CCOCC23)C1)C1=CC(=O)[N-]O1	REAL300030761301	1	51	0.0	-71.93	404.65	0.24	-71.69
CN1CCOCC1CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030761330	0	50	0.0	-80.49	402.11	-0.15	-80.64
C[N@@H+]1CCOCC1CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030761330	1	50	0.0	-80.94	402.13	-0.22	-81.16
C[N@H+]1CCOCC1CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030761330	1	50	0.0	-80.94	402.13	-0.22	-81.16
CC1=CC(N)=NC=C1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030761412	0	45	0.0	-74.83	378.93	-0.71	-75.54
CC1=CC(N)=[NH+]C=C1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030761412	1	45	0.0	-74.83	378.93	-0.71	-75.54
CC1(O)CC[N@H+](CC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030761473	0	50	0.0	-68.86	407.40	-1.64	-70.50
C[NH+](C)CCN1N=CC=C1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030761481	0	52	0.0	-70.06	426.60	1.14	-68.92
C[NH+]1CC(CC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030761517	0	46	0.0	-76.42	382.79	0.86	-75.56
O=C(NCCOC1CN(C(=O)C2CC[N@@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300030761523	0	53	0.0	-69.68	422.13	2.81	-66.87
C[N@H+](CCO)CCC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030761578	0	49	0.0	-71.21	401.95	-2.05	-73.26
C[N@@H+](CCO)CCC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030761578	1	49	0.0	-71.21	401.95	-2.05	-73.26
C[N@@H+]1CCCCC1CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030761604	0	52	0.0	-77.25	410.76	2.22	-75.03
C[N@H+]1CCCCC1CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030761604	1	52	0.0	-77.25	410.76	2.22	-75.03
CC1=C2C=C(C(=O)N3CC(OCCNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=N1	REAL300030761636	0	47	0.0	-79.54	399.05	3.58	-75.96
CC1=C2C=C(C(=O)N3CC(OCCNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030761636	1	47	0.0	-79.54	399.05	3.58	-75.96
CC1CCN1CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030761643	0	46	0.0	-70.95	377.20	0.85	-70.10
CC1CC[N@@H+]1CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030761643	1	46	0.0	-71.24	377.29	0.84	-70.40
CC1CC[N@H+]1CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030761643	1	46	0.0	-71.24	377.29	0.84	-70.40
C[NH+](C)CC=CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030761663	0	46	0.0	-80.03	387.22	1.24	-78.79
CC1(C)CN(CC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030761678	0	49	0.0	-73.55	402.06	1.66	-71.89
CC1(C)C[NH+](CC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030761678	1	49	0.0	-73.55	402.06	1.66	-71.89
O=C(CCCC[NH+]1CCCCC1)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030761692	0	58	0.0	-76.64	458.50	4.05	-72.59
CC1=C(C)NC(CCC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030761706	0	50	0.0	-70.00	421.74	1.33	-68.67
CC1=C(C)[NH+]=C(CCC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030761706	1	50	0.0	-70.00	421.74	1.33	-68.67
C[NH+]1CCC(C2(C(=O)N3CC(OCCNC(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030761719	0	56	0.0	-74.29	439.77	3.67	-70.62
CC1=C2C=C(C(=O)N3CC(OCCNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=N1	REAL300030761729	0	47	0.0	-79.54	399.05	3.58	-75.96
CC1=C2C=C(C(=O)N3CC(OCCNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030761729	1	47	0.0	-79.54	399.05	3.58	-75.96
C[NH+](C)CCSCC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030761741	0	49	0.0	-81.06	418.40	1.97	-79.09
O=C(C[N@H+]1CCCC1CO)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030761770	0	50	0.0	-66.97	397.35	-1.42	-68.39
CC[NH+](CC)CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030761773	0	48	0.0	-71.49	383.09	1.11	-70.38
C[N@H+](CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300030761784	0	50	0.0	-74.21	410.85	2.26	-71.95
O=C(CN1CCC1)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030761786	0	43	0.0	-73.72	361.77	0.51	-73.21
O=C(C[NH+]1CCC1)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030761786	1	43	0.0	-73.72	361.77	0.51	-73.21
CC[NH+](CC)CCC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030761846	0	51	0.0	-75.32	405.10	1.68	-73.64
NC(=O)C1CC[NH+](CC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030761871	0	53	0.0	-83.30	429.15	-1.42	-84.72
C[NH+](C)CC1=CNC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030761925	0	50	0.0	-81.11	413.51	1.34	-79.77
CC(C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300030761947	0	53	0.0	-72.21	416.48	-1.33	-73.54
O=C(NCCOC1CN(C(=O)C2CC3COCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030761955	0	51	0.0	-74.23	406.87	0.20	-74.03
O=C(NCCOC1CN(C(=O)C2CC3COCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030761955	1	51	0.0	-72.94	409.44	0.28	-72.66
CC(C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030761974	1	46	0.0	-69.81	373.49	0.68	-69.13
CCC(CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030761985	0	54	0.0	-77.37	424.32	2.78	-74.59
NC1=CC=C(C=CC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300030761993	0	46	0.0	-79.25	398.61	0.23	-79.02
C[NH+](C)CC(C)(C)C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030761994	0	51	0.0	-74.72	394.39	1.27	-73.45
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030762068	0	49	0.0	-70.06	379.92	1.16	-68.90
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030762068	1	49	0.0	-69.33	393.19	1.53	-67.80
CC1CN2CC[N@@H+]1CC2C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030762085	0	52	0.0	-78.88	401.16	-1.23	-80.11
CC1CN2CC[N@H+]1CC2C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030762085	1	52	0.0	-81.79	400.98	-1.20	-82.99
C[NH+](C)CC(O)CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030762115	0	49	0.0	-80.42	403.98	-0.91	-81.33
C[NH+]1C2CCC1CC(C(=O)N1CC(OCCNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030762118	0	53	0.0	-71.08	388.65	2.20	-68.88
C=CCC(C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030762167	0	49	0.0	-71.49	396.85	1.63	-69.86
O=C(NCCOC1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030762179	0	53	0.0	-78.28	416.43	2.54	-75.74
O=C(NCCOC1CN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030762179	1	53	0.0	-68.75	418.77	2.63	-66.12
C[NH+]1CCC(C)(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030762193	0	52	0.0	-66.95	402.43	1.58	-65.37
C[NH+]1CCC(O)(CC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030762198	0	53	0.0	-76.35	422.02	0.39	-75.96
COCC[N@@H+]1CCCC1CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030762214	0	56	0.0	-75.53	440.36	1.37	-74.16
COCC[N@H+]1CCCC1CC(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030762214	1	56	0.0	-75.49	443.22	1.09	-74.40
C[NH+]1C2CCC1CC(CC(=O)N1CC(OCCNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030762228	0	56	0.0	-75.33	417.18	2.49	-72.84
C[NH+](C)CCN1N=CC=C1C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030762268	0	52	0.0	-69.87	429.34	1.31	-68.56
C[NH+]1CCC(C2(C(=O)NCCOC3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)CC1	REAL300030762315	0	56	0.0	-69.46	437.89	3.53	-65.93
CC1=C2C=C(C(=O)NCCOC3CN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030762327	1	47	0.0	-76.10	401.80	3.99	-72.11
C[NH+](C)CCSCC(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030762338	0	49	0.0	-74.80	416.51	1.78	-73.02
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2COCC[N@@H+]2C1	REAL300030762350	0	51	0.0	-72.43	407.87	0.30	-72.13
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2COCC[N@H+]2C1	REAL300030762350	1	51	0.0	-74.38	408.22	0.25	-74.13
C[N@@H+]1CCCC1C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030762514	0	49	0.0	-65.67	383.80	1.21	-64.46
C[N@H+]1CCCC1C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030762514	1	49	0.0	-67.27	383.79	1.20	-66.07
C[N@@H+]1CCOC(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030762538	1	50	0.0	-72.22	394.96	0.94	-71.28
C[N@H+]1CCOC(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030762538	1	50	0.0	-77.35	402.11	1.10	-76.25
CC(C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300030762696	0	58	0.0	-65.40	435.81	3.42	-61.98
CC(C)[N@@H+]1CCCCC1C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030762698	0	58	0.0	-66.73	437.84	3.14	-63.59
CC(C)[N@H+]1CCCCC1C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030762698	1	58	0.0	-67.03	431.72	3.21	-63.82
CC(C)[N@@H+]1CCCC1C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030762718	0	55	0.0	-67.35	426.51	2.85	-64.50
CC(C)[N@H+]1CCCC1C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030762718	1	55	0.0	-62.95	422.59	2.79	-60.16
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@@H+]2C1	REAL300030762734	0	56	0.0	-72.10	432.20	3.39	-68.71
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@H+]2C1	REAL300030762734	1	56	0.0	-73.74	432.19	3.39	-70.35
CC(C)C1=[NH+]C=CN1CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030762752	1	53	0.0	-64.67	430.36	3.36	-61.31
CC1=[NH+]C=CN1CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030762779	1	47	0.0	-69.84	393.19	2.26	-67.58
CC(C[NH+]1CCOCC1)C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030762780	0	56	0.0	-75.64	435.07	1.38	-74.26
O=C(CCC[NH+]1CCCCC1)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030762795	0	58	0.0	-70.22	449.76	3.83	-66.39
CC(C)(C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300030762812	0	58	0.0	-66.05	434.09	3.61	-62.44
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+]2CCC1CC2	REAL300030762820	0	53	0.0	-71.89	406.00	2.44	-69.45
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC2CCC[N@@H+]21	REAL300030762859	0	56	0.0	-68.24	420.85	3.20	-65.04
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCCC2CCC[N@H+]21	REAL300030762859	1	56	0.0	-64.03	420.88	3.18	-60.85
C[C@@H]1[C@H](C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030762872	0	52	0.0	-70.20	402.27	1.85	-68.35
C[C@@H]1[C@H](C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030762872	1	52	0.0	-70.52	407.57	1.87	-68.65
CC[C@@H]1[C@@H](C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030762876	0	55	0.0	-74.22	422.17	2.32	-71.90
CC[C@@H]1[C@@H](C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030762876	1	55	0.0	-72.33	425.47	2.89	-69.44
CC[N@@H+]1CCOC(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030762885	1	53	0.0	-70.66	411.85	1.59	-69.07
CC[N@H+]1CCOC(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030762885	1	53	0.0	-73.21	412.82	1.57	-71.64
CC[NH+](CC)CC(F)C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030762926	0	54	0.0	-73.08	425.68	2.56	-70.52
CC1CCC(C)[NH+]1CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030762986	0	55	0.0	-64.33	421.75	2.52	-61.81
O=C(CCC[NH+]1CCCC1)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030762992	0	55	0.0	-70.05	434.54	3.17	-66.88
C#CC[NH+]1CCC(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030762997	0	54	0.0	-73.19	434.00	3.45	-69.74
O=C(CC[NH+]1CCCCC1)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030762998	0	55	0.0	-69.58	428.26	3.04	-66.54
CC[N@@H+]1CCCCC1C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030763003	0	55	0.0	-68.31	415.05	2.72	-65.59
CC[N@H+]1CCCCC1C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030763003	1	55	0.0	-68.97	415.10	2.73	-66.24
CC(C)C[N@@H+]1CCC(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030763017	0	58	0.0	-68.90	449.63	3.59	-65.31
CC(C)C[N@H+]1CCC(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030763017	1	58	0.0	-68.45	449.21	3.61	-64.84
C[NH+](C)C1(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300030763020	0	52	0.0	-64.96	398.20	2.25	-62.71
CC(C)[N@@H+]1CCCC1CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030763022	0	58	0.0	-64.47	433.94	3.17	-61.30
CC(C)[N@H+]1CCCC1CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030763022	1	58	0.0	-66.08	443.13	3.27	-62.81
CC(C)[C@@H](C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030763034	0	54	0.0	-66.93	409.03	2.16	-64.77
C[N@H+](CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030763075	0	52	0.0	-66.50	410.94	2.62	-63.88
C[N@@H+](CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030763075	1	52	0.0	-66.79	410.84	2.60	-64.19
CC(C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300030763128	0	58	0.0	-62.36	434.66	2.77	-59.59
C#CC[N@H+]1CCC[C@H]1C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030763182	1	51	0.0	-65.23	410.46	2.42	-62.81
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030763182	1	51	0.0	-70.37	417.29	2.92	-67.45
C[N@@H+]1CCCC1CCC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030763187	0	55	0.0	-70.98	432.09	3.13	-67.85
C[N@H+]1CCCC1CCC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030763187	1	55	0.0	-72.71	426.76	2.66	-70.05
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[NH+](CCC1)C2	REAL300030763196	0	56	0.0	-70.18	422.13	2.85	-67.33
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC2CCCC[N@@H+]21	REAL300030763199	0	56	0.0	-66.81	432.63	3.59	-63.22
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC2CCCC[N@H+]21	REAL300030763199	1	56	0.0	-67.17	432.60	3.57	-63.60
O=C(CCCC[NH+]1CCCC1)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030763215	0	58	0.0	-70.74	456.04	3.95	-66.79
C[NH+]1CCC(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030763226	0	52	0.0	-72.04	409.32	2.30	-69.74
C[NH+](C)CC1=CC(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300030763258	1	51	0.0	-78.22	423.83	1.67	-76.55
CC1=C(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300030763259	0	50	0.0	-71.16	417.03	4.39	-66.77
C[N@@H+]1CCCCC1C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030763286	0	52	0.0	-65.17	396.43	2.07	-63.10
C[N@H+]1CCCCC1C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030763286	1	52	0.0	-70.40	397.41	2.06	-68.34
CC(C)C[N@@H+]1CCCC1C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030763306	0	58	0.0	-68.95	449.66	3.80	-65.15
CC(C)C[N@H+]1CCCC1C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030763306	1	58	0.0	-65.40	437.75	3.93	-61.47
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN2C=[NH+]C=C2C=C1	REAL300030763400	0	47	0.0	-70.45	394.88	4.13	-66.32
CC1=[NH+]C=CN1CCCC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030763408	1	53	0.0	-71.52	434.73	3.55	-67.97
O=C(CC[NH+]1CCOCC1)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030763412	1	53	0.0	-72.79	419.98	0.64	-72.15
CC1=C[NH+]=CN1CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030763439	1	47	0.0	-68.97	393.43	2.93	-66.04
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[NH+]1CCC2	REAL300030763475	0	53	0.0	-66.99	409.40	2.63	-64.36
C[NH+](C)C1CCCC(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030763497	0	58	0.0	-66.17	437.05	3.32	-62.85
C[N@@H+]1CCC(CC(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030763500	0	52	0.0	-72.05	411.28	2.22	-69.83
C[N@H+]1CCC(CC(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030763500	1	52	0.0	-71.56	411.06	2.22	-69.34
CN(C)C1=CC=[NH+]C=C1C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030763511	0	51	0.0	-73.14	415.73	1.46	-71.68
CCC(C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030763516	0	51	0.0	-70.93	394.41	1.65	-69.28
C[NH+](C)C1(CC(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030763527	0	58	0.0	-70.56	428.93	3.10	-67.46
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC2=C[NH+]=CN2C=C1	REAL300030763563	1	47	0.0	-73.25	395.16	4.15	-69.10
C[NH+](C)CCCCC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030763609	0	54	0.0	-76.48	429.12	2.78	-73.70
CC(C)C(C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030763628	0	54	0.0	-72.23	408.08	2.17	-70.06
CCC[N@H+](C)CCC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030763630	0	54	0.0	-70.85	426.31	2.59	-68.26
CCC[N@@H+](C)CCC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030763630	1	54	0.0	-70.78	426.31	2.59	-68.19
CCC[N@H+](C)CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030763635	0	51	0.0	-68.52	403.94	2.04	-66.48
CCC[N@@H+](C)CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030763635	1	51	0.0	-68.53	403.94	2.04	-66.49
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@H+](C1)CCC2	REAL300030763656	0	53	0.0	-78.61	406.64	1.88	-76.73
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC[N@@H+](C1)CCC2	REAL300030763656	1	53	0.0	-74.23	406.57	1.86	-72.37
C[N@@H+]1CCC[C@@H]1C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030763689	0	49	0.0	-65.74	383.82	1.22	-64.52
C[N@H+]1CCC[C@@H]1C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030763689	1	49	0.0	-69.16	391.03	1.71	-67.45
CCCCCC[N@H+](C)CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030763738	0	60	0.0	-69.73	468.44	4.37	-65.36
CCCCCC[N@@H+](C)CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030763738	1	60	0.0	-74.29	467.48	4.41	-69.88
CC[NH+](CC)C(C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300030763742	0	60	0.0	-66.70	437.68	3.15	-63.55
CC[NH+](CC)CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030763750	0	51	0.0	-71.02	399.86	2.02	-69.00
CCC[N@@H+]1CCCC(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030763781	0	58	0.0	-72.08	448.48	3.67	-68.41
CCC[N@H+]1CCCC(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030763781	1	58	0.0	-63.88	442.21	3.87	-60.01
CC(C)[N@@H+]1CCOC(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030763796	0	56	0.0	-74.16	429.57	2.08	-72.08
CC(C)[N@H+]1CCOC(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030763796	1	56	0.0	-81.38	435.75	2.28	-79.10
CC1CC[NH+](CC(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030763824	0	55	0.0	-68.50	427.67	3.13	-65.37
C[NH+]1CCC(OCC(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030763849	0	56	0.0	-80.19	443.71	2.74	-77.45
C[NH+](C)CC1(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030763859	0	52	0.0	-69.83	416.37	2.40	-67.43
CC(C)[NH+]1CCC(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030763927	0	58	0.0	-69.85	439.96	3.25	-66.60
C[NH+]1CCC(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030763944	0	52	0.0	-72.04	409.32	2.30	-69.74
CC(C)[C@H](C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030763962	0	54	0.0	-66.26	409.78	2.12	-64.14
CCC(C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030763992	0	57	0.0	-66.71	429.92	2.95	-63.76
CC[N@H+](C)CCC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764046	0	51	0.0	-70.17	404.81	1.85	-68.32
CC[N@@H+](C)CCC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764046	1	51	0.0	-70.14	404.81	1.85	-68.29
CC1CCC[N@@H+]1CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764097	0	52	0.0	-68.92	403.43	2.02	-66.90
CC1CCC[N@H+]1CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764097	1	52	0.0	-65.66	409.92	2.41	-63.25
CC1CC[N@H+](CC(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030764099	0	52	0.0	-67.68	410.62	2.40	-65.28
CC1CC[N@@H+](CC(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030764099	1	52	0.0	-67.68	410.09	2.39	-65.29
CC1(C)CC[N@H+](CC(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030764103	0	55	0.0	-67.67	430.29	2.88	-64.79
CC1(C)CC[N@@H+](CC(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030764103	1	55	0.0	-67.69	430.27	2.89	-64.80
C[N@H+](CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030764104	0	57	0.0	-68.23	432.55	3.04	-65.19
C[N@@H+](CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030764104	1	57	0.0	-67.97	434.85	3.21	-64.76
CC[C@@H](C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030764112	0	51	0.0	-66.37	395.37	1.62	-64.75
C[NH+]1CCC(O)(CC(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030764261	0	56	0.0	-68.26	432.35	1.03	-67.23
C[NH+](C)CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764272	0	45	0.0	-73.38	363.76	0.64	-72.74
O=C(C[NH+]1CCC(CO)CC1)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764276	1	56	0.0	-69.93	438.50	-0.18	-70.11
O=C(C[NH+]1CCCCCC1)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764277	0	55	0.0	-67.81	416.04	2.68	-65.13
CN1C=C[N+](CC(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030764281	0	47	0.0	-66.95	395.95	4.14	-62.81
C[N@@H+]1CCCC(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030764288	0	52	0.0	-69.56	409.31	2.26	-67.30
C[N@H+]1CCCC(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030764288	1	52	0.0	-69.82	409.28	2.26	-67.56
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@@H+]1C1CC1	REAL300030764293	0	53	0.0	-63.65	422.25	3.15	-60.50
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCC[N@H+]1C1CC1	REAL300030764293	1	53	0.0	-69.25	415.11	2.49	-66.76
CC(C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030764317	1	49	0.0	-66.44	392.86	1.70	-64.74
CCC(CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030764321	0	57	0.0	-75.67	435.27	3.12	-72.55
C[NH+](C)CC(C)(C)C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764328	0	54	0.0	-68.16	411.29	2.36	-65.80
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC(C1)C[N@@H+]2C1CC1	REAL300030764344	0	54	0.0	-64.73	421.68	3.40	-61.33
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CC(C1)C[N@H+]2C1CC1	REAL300030764344	1	54	0.0	-73.23	421.88	4.00	-69.23
O=C(C[NH+]1CCC(O)CC1)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764352	1	53	0.0	-72.21	417.52	-0.85	-73.06
C[N@H+](CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030764353	0	49	0.0	-66.27	394.12	2.03	-64.24
C[N@@H+](CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030764353	1	49	0.0	-66.35	394.12	2.04	-64.31
CC(C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300030764354	1	57	0.0	-70.11	435.66	0.46	-69.65
C[NH+]1CC(CC(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030764372	0	49	0.0	-75.21	395.20	1.47	-73.74
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+]1C1CCCC1	REAL300030764376	0	56	0.0	-67.86	437.15	3.60	-64.26
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+]1C1CCCC1	REAL300030764376	1	56	0.0	-66.47	434.48	3.44	-63.03
CC(C)(C)[N@@H+]1CCC1C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764384	0	55	0.0	-70.29	409.17	2.17	-68.12
CC(C)(C)[N@H+]1CCC1C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764384	1	55	0.0	-68.73	410.24	1.85	-66.88
C[C@@H](C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030764395	0	48	0.0	-67.39	382.61	1.05	-66.34
CCC1CCC[N@H+](CC(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030764430	0	58	0.0	-68.17	438.67	3.70	-64.47
CCC1CCC[N@@H+](CC(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030764430	1	58	0.0	-68.24	445.68	3.75	-64.49
C[NH+](C)CC1=CC=C(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030764437	0	53	0.0	-75.86	431.56	1.82	-74.04
[NH2+]=C1SC=CN1CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764478	0	45	0.0	-65.21	391.79	0.82	-64.39
C[N@H+](CCO)CCC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764488	0	52	0.0	-70.03	415.16	-1.37	-71.40
C[N@@H+](CCO)CCC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764488	1	52	0.0	-69.97	415.12	-1.38	-71.35
C[C@@H](C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030764489	0	48	0.0	-67.39	382.61	1.05	-66.34
C[N@@H+]1CCCC[C@@H]1C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764493	0	52	0.0	-66.18	397.39	2.06	-64.12
C[N@H+]1CCCC[C@@H]1C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764493	1	52	0.0	-64.08	405.78	2.25	-61.83
CC1CN2CC[N@@H+]1CC2C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764501	0	55	0.0	-77.67	417.53	-0.36	-78.03
CC1CN2CC[N@H+]1CC2C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764501	1	55	0.0	-78.43	416.08	-0.48	-78.91
O=C(CC1=CC2=C[NH+]=CN2C=C1)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764542	0	50	0.0	-70.23	419.12	4.82	-65.41
C[N@H+](CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300030764564	0	53	0.0	-77.54	423.24	2.88	-74.66
C[N@@H+](CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300030764564	1	53	0.0	-73.75	425.46	2.84	-70.91
O=C(C[NH+]1CCC1)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764565	1	46	0.0	-68.60	374.81	1.06	-67.54
C[N@@H+]1CCC(=CC(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030764593	0	50	0.0	-77.41	401.67	2.22	-75.19
C[N@H+]1CCC(=CC(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030764593	1	50	0.0	-77.10	402.63	2.20	-74.90
C[NH+](C)CCOCC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764626	0	52	0.0	-73.54	419.62	1.72	-71.82
CCCCC[N@H+](C)CCC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764631	0	60	0.0	-76.59	468.35	4.16	-72.43
CCCCC[N@@H+](C)CCC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764631	1	60	0.0	-71.73	469.31	4.15	-67.58
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030764640	0	56	0.0	-71.69	441.94	2.85	-68.84
C=CCC(C)(C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030764647	0	55	0.0	-74.86	415.51	2.48	-72.38
C[S+](C)CCC(O)C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764651	0	51	0.0	-76.83	428.60	0.32	-76.51
C[N@@H+]1CC(O)CC1(C)C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764676	0	53	0.0	-68.13	410.22	-1.17	-69.30
CN1CC[N@H+](C)CC(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030764686	0	57	0.0	-71.05	434.85	0.80	-70.25
CN1CC[N@@H+](C)CC(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030764686	1	57	0.0	-71.05	434.85	0.80	-70.25
CC(C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300030764687	0	56	0.0	-67.84	435.56	-0.47	-68.31
O=C(CN1CCC(CO)CC1)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764696	0	56	0.0	-69.93	438.50	-0.18	-70.11
O=C(C[NH+]1CCC(CO)CC1)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764696	1	56	0.0	-69.93	438.50	-0.18	-70.11
C[N@@H+]1CCCC(O)(CC(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030764705	0	56	0.0	-65.13	434.05	1.01	-64.12
C[N@H+]1CCCC(O)(CC(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030764705	1	56	0.0	-65.13	434.05	1.01	-64.12
CC1CN(CC(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030764708	0	49	0.0	-68.51	395.99	1.73	-66.78
CC1C[NH+](CC(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030764708	1	49	0.0	-68.51	395.99	1.73	-66.78
CN(CCO)CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764734	0	49	0.0	-69.15	392.80	-1.93	-71.08
C[N@H+](CCO)CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764734	1	49	0.0	-73.16	391.62	-1.92	-75.08
C[N@@H+](CCO)CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764734	1	49	0.0	-73.16	391.62	-1.92	-75.08
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[N@@H+]2CCN1CCC2	REAL300030764756	0	55	0.0	-80.04	411.55	0.44	-79.60
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[N@H+]2CCN1CCC2	REAL300030764756	1	55	0.0	-80.04	411.55	0.44	-79.60
CC[N@@H+]1CCCC(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030764762	0	55	0.0	-71.73	426.98	2.92	-68.81
CC[N@H+]1CCCC(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030764762	1	55	0.0	-71.73	426.98	2.92	-68.81
CC(CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030764764	0	54	0.0	-75.42	420.94	2.65	-72.77
CC[N@H+](C)CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764774	0	48	0.0	-68.14	382.44	1.30	-66.84
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@@H+]1CCCC2	REAL300030764795	0	56	0.0	-67.41	420.24	3.17	-64.24
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@H+]1CCCC2	REAL300030764795	1	56	0.0	-67.41	420.24	3.17	-64.24
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@@H+]1CC=CC2	REAL300030764800	0	54	0.0	-65.98	409.80	3.54	-62.44
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C12CCC[N@H+]1CC=CC2	REAL300030764800	1	54	0.0	-65.98	409.80	3.54	-62.44
CC[N@H+](CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030764820	0	52	0.0	-65.61	411.09	2.66	-62.95
CC[NH+](CC)CCC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764835	0	54	0.0	-74.20	417.35	2.30	-71.90
CC1(O)CC[N@H+](CC(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030764879	0	53	0.0	-68.52	421.11	-0.97	-69.49
CC1(O)CC[N@@H+](CC(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030764879	1	53	0.0	-68.75	420.91	-0.96	-69.71
C[NH+](C)CC=CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764886	0	49	0.0	-78.57	400.98	1.90	-76.67
CC(OCC[NH+](C)C)C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764905	0	55	0.0	-74.53	438.60	2.46	-72.07
C[NH+](C)CCOCCC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764913	0	55	0.0	-74.87	440.58	1.44	-73.43
COCC[N@H+](C)CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764914	1	52	0.0	-72.81	413.87	0.49	-72.32
COCC[N@@H+](C)CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764914	1	52	0.0	-74.19	414.09	0.48	-73.71
C[NH+](C)C1(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030764943	0	55	0.0	-70.31	415.86	2.85	-67.46
CC(CCC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030764946	0	54	0.0	-74.12	421.04	2.39	-71.73
CC[N@@H+]1CCC1C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764953	1	49	0.0	-65.27	388.59	1.37	-63.90
CC[N@H+]1CCC1C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764953	1	49	0.0	-71.28	396.40	1.65	-69.63
CC(C)[N@@H+]1CCCC(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030764963	0	58	0.0	-65.29	437.41	3.63	-61.66
CC(C)[N@H+]1CCCC(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030764963	1	58	0.0	-70.53	443.65	3.44	-67.09
O=C(C[N@H+]1CCCC1CO)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764975	0	53	0.0	-70.97	419.53	-0.82	-71.79
O=C(C[N@@H+]1CCCC1CO)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764975	1	53	0.0	-67.30	417.72	-0.82	-68.12
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@@H+]2C1	REAL300030764997	0	56	0.0	-72.10	432.20	3.39	-68.71
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2CCCC[N@H+]2C1	REAL300030764997	1	56	0.0	-73.74	432.19	3.39	-70.35
C[NH+]1CCC(C)(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030765003	0	55	0.0	-67.75	422.00	2.72	-65.03
C[NH+](C)CC1=CNC(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030765009	0	53	0.0	-73.42	431.11	1.97	-71.45
CC(C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300030765023	0	56	0.0	-68.66	435.57	-0.46	-69.12
C=CCC(C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030765030	0	52	0.0	-70.36	407.42	2.14	-68.22
C[N@@H+]1CC(C)(C)CC1C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765040	0	55	0.0	-65.75	430.74	2.77	-62.98
C[N@H+]1CC(C)(C)CC1C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765040	1	55	0.0	-66.86	424.14	2.27	-64.59
C[NH+](C)CCCCCC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765043	0	57	0.0	-76.05	450.62	3.56	-72.49
O=C(C[NH+]1CC2CC2C1)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765051	0	50	0.0	-68.18	400.06	2.50	-65.68
CC1C[N@@H+]2CCN1C(C(=O)NCCOC1CCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030765076	0	55	0.0	-73.87	417.75	-0.38	-74.25
CC1C[N@H+]2CCN1C(C(=O)NCCOC1CCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030765076	1	55	0.0	-72.81	417.73	-0.31	-73.12
CCCC(C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030765077	0	54	0.0	-72.14	415.66	2.43	-69.71
C[NH+](C)C(C)(C)C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765081	0	51	0.0	-76.71	390.99	1.84	-74.87
C[N@@H+]1CCCCC1C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765119	0	52	0.0	-65.17	396.43	2.07	-63.10
C[N@H+]1CCCCC1C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765119	1	52	0.0	-70.40	397.41	2.06	-68.34
C[N@H+]1CC=C(CC(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030765152	0	53	0.0	-70.16	423.88	2.96	-67.20
C[N@@H+]1CC=C(CC(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030765152	1	53	0.0	-68.92	423.84	2.96	-65.96
O=C(CC1([NH+]2CCCC2)CC1)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765161	0	56	0.0	-66.32	428.70	3.30	-63.02
C[NH+](C)CC1=CC=C(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030765203	1	52	0.0	-73.36	429.29	2.45	-70.91
O=C(C=CC[NH+]1CCCC1)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765219	0	53	0.0	-72.03	425.27	2.91	-69.12
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[NH+](C2CC2)CC1	REAL300030765239	0	56	0.0	-69.93	434.16	3.50	-66.43
C[NH+](C)C1(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030765257	0	49	0.0	-69.67	386.97	2.02	-67.65
O=C(CC[NH+]1CCCC1)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765259	0	52	0.0	-69.65	413.04	2.36	-67.29
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1C[NH+]2CCN1CC2	REAL300030765292	0	52	0.0	-72.99	401.02	-0.89	-73.88
C[N@@H+]1CC2CC1(C(=O)NCCOC1CCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030765301	0	50	0.0	-74.25	396.77	1.83	-72.42
C[N@H+]1CC2CC1(C(=O)NCCOC1CCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030765301	1	50	0.0	-75.24	397.62	1.73	-73.51
O=C(C[N@@H+]1CC2CCC1C2)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765313	0	53	0.0	-70.07	411.45	2.73	-67.34
O=C(C[N@H+]1CC2CCC1C2)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765313	1	53	0.0	-65.95	408.92	2.54	-63.41
O=C(C=C1C[NH+]2CCC1CC2)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765350	0	54	0.0	-67.89	421.32	3.03	-64.86
O=C(C[N@@H+]1CC2C=CC1C2)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765360	1	51	0.0	-70.27	403.84	2.60	-67.67
O=C(C[N@H+]1CC2C=CC1C2)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765360	1	51	0.0	-65.51	403.79	2.51	-63.00
CC[NH+]1CCN(CC(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030765389	0	57	0.0	-69.47	441.36	0.79	-68.68
CC(C[NH+](C)C)C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765405	0	51	0.0	-67.69	401.95	2.03	-65.66
C[N@@H+]1CCCCC1CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765470	0	55	0.0	-63.33	415.56	2.71	-60.62
C[N@H+]1CCCCC1CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765470	1	55	0.0	-65.50	416.46	2.69	-62.81
CC1=C2C=C(C(=O)NCCOC3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030765486	1	50	0.0	-71.06	417.07	4.71	-66.35
CC(C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300030765487	1	52	0.0	-66.24	412.84	2.40	-63.84
CC1CC[N@@H+]1CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765490	1	49	0.0	-70.06	390.51	1.45	-68.61
CC1CC[N@H+]1CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765490	1	49	0.0	-72.21	395.10	1.74	-70.47
C[NH+](C)CC(O)CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765493	0	52	0.0	-78.60	416.35	-0.30	-78.90
CC1C[N@H+](C)CC(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030765519	1	53	0.0	-74.15	416.16	1.68	-72.47
CC1C[N@@H+](C)CC(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030765519	1	53	0.0	-77.70	416.14	1.68	-76.02
O=C(CC[NH+]1CCC(O)CC1)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765528	0	56	0.0	-73.23	439.35	-0.32	-73.55
CCC[N@@H+]1CCCCC1C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765530	0	58	0.0	-68.71	436.59	3.47	-65.24
CCC[N@H+]1CCCCC1C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765530	1	58	0.0	-63.10	445.07	3.61	-59.49
C[NH+](C)[C@H]1C[C@H](C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030765594	0	52	0.0	-69.71	414.27	2.35	-67.36
CC(CC[NH+](C)C)C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765602	0	54	0.0	-75.06	423.80	2.54	-72.52
C[N@H+](CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300030765622	0	56	0.0	-64.66	434.23	0.04	-64.62
C[N@@H+](CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300030765622	1	56	0.0	-66.74	434.75	-0.14	-66.88
C#CC[N@H+]1CCCCC1C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765628	1	54	0.0	-64.76	432.02	3.42	-61.34
C#CC[N@@H+]1CCCCC1C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765628	1	54	0.0	-69.07	422.61	3.28	-65.79
C[NH+]1CCN(CC(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030765631	1	54	0.0	-71.01	424.12	0.15	-70.86
CC[NH+]1CCN(CC(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030765640	0	57	0.0	-69.47	441.36	0.79	-68.68
NC(=[NH2+])SCC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765663	0	43	0.0	-75.23	372.28	-2.48	-77.71
CC[N@@H+]1CCOCC1CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765696	0	56	0.0	-76.04	432.53	1.12	-74.92
C[NH+](C)C1CCC(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030765711	0	58	0.0	-72.42	443.54	3.49	-68.93
C[NH+](C)CCC1(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030765712	0	55	0.0	-70.78	439.45	3.17	-67.61
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030765714	0	58	0.0	-71.23	437.04	3.33	-67.90
C[N@@H+]1CC=CCC1CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765715	0	53	0.0	-75.74	415.97	2.68	-73.06
C[N@H+]1CC=CCC1CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765715	1	53	0.0	-75.74	415.97	2.68	-73.06
C[C@@H](OCC[NH+](C)C)C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765736	0	55	0.0	-68.53	440.37	2.39	-66.14
C[NH+]1C2CCC1CC(C(=O)NCCOC1CCN(C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030765761	0	56	0.0	-73.15	406.69	3.22	-69.93
CC(C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300030765859	1	53	0.0	-74.16	419.13	2.51	-71.65
CCC1C[NH+](CC(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030765861	1	52	0.0	-69.20	417.38	2.49	-66.71
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1([NH+]2CCCC2)CCC1	REAL300030765863	0	56	0.0	-66.54	425.00	3.31	-63.23
C[N@@H+]1CCC[C@H]1C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765870	0	49	0.0	-69.65	390.98	1.71	-67.94
C[N@H+]1CCC[C@H]1C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765870	1	49	0.0	-67.17	383.76	1.21	-65.96
O=C(CC[N@H+]1CCC(F)C1)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765877	0	52	0.0	-73.41	418.90	2.44	-70.97
O=C(CC[N@@H+]1CCC(F)C1)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765877	1	52	0.0	-77.03	418.89	2.45	-74.58
COC1C[N@H+](C)C(C)(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030765885	0	56	0.0	-66.32	432.19	1.20	-65.12
COC1C[N@@H+](C)C(C)(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030765885	1	56	0.0	-66.06	434.20	1.12	-64.94
O=C(CC[NH+]1CCCCCC1)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765893	0	58	0.0	-71.20	438.90	3.29	-67.91
O=C(C[NH+]1CCCCC1)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765895	0	52	0.0	-67.74	406.82	2.52	-65.22
CC1C(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030765905	0	52	0.0	-72.49	406.94	2.07	-70.42
CC1C(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030765905	1	52	0.0	-73.28	411.20	2.04	-71.24
C[N@@H+]1CCCCC1CCC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765907	0	58	0.0	-69.21	445.78	3.55	-65.66
C[N@H+]1CCCCC1CCC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765907	1	58	0.0	-71.72	446.12	3.55	-68.17
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@@H+]2CCOCC12	REAL300030765929	0	54	0.0	-75.72	423.65	0.91	-74.81
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC[N@H+]2CCOCC12	REAL300030765929	1	54	0.0	-70.62	419.95	0.96	-69.66
CC1=[NH+]C=C2C=CC(C(=O)NCCOC3CCN(C(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300030765934	0	50	0.0	-66.55	416.30	3.91	-62.64
C[N@@H+]1CCOCC1CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765947	1	53	0.0	-66.40	406.91	0.32	-66.08
C[N@H+]1CCOCC1CC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765947	1	53	0.0	-68.42	407.85	0.31	-68.11
CC1=C(C)[NH+]=C(CCC(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030765954	1	53	0.0	-69.14	433.99	1.93	-67.21
C[N@@H+]1CCCC1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030766124	0	49	0.0	-72.31	385.37	1.26	-71.05
C[N@H+]1CCCC1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030766124	1	49	0.0	-71.29	390.22	1.64	-69.65
C[N@@H+]1CCOC(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030766150	1	50	0.0	-86.19	400.33	1.07	-85.12
C[N@H+]1CCOC(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030766150	1	50	0.0	-68.49	392.80	0.87	-67.62
CC1=[NH+]C=CN1CCCC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030766309	1	53	0.0	-73.30	438.57	3.72	-69.58
O=C(CC[NH+]1CCOCC1)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030766313	1	53	0.0	-79.40	422.86	0.81	-78.59
O=C(NCCOC1CCN(C(=O)C23CCC[NH+]2CCC3)C1)C1=CC(=O)[N-]O1	REAL300030766336	0	53	0.0	-68.02	403.73	2.15	-65.87
O=C(NCCOC1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1)C1=CC(=O)[N-]O1	REAL300030766344	1	47	0.0	-79.47	402.31	4.19	-75.28
C[NH+](C)C1CCCC(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030766394	0	58	0.0	-69.09	436.67	3.42	-65.67
C[N@@H+]1CCC(CC(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030766397	0	52	0.0	-79.72	413.03	2.38	-77.34
C[N@H+]1CCC(CC(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030766397	1	52	0.0	-78.38	413.97	2.40	-75.98
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030766408	0	51	0.0	-79.15	417.53	0.67	-78.48
CCC(C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030766413	0	51	0.0	-72.04	397.82	1.76	-70.28
C[NH+](C)CCCCC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030766467	0	54	0.0	-78.71	432.95	2.94	-75.77
CC(C)C(C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030766488	0	54	0.0	-71.81	410.24	2.30	-69.51
CCC[N@H+](C)CCC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030766490	0	54	0.0	-77.51	429.19	2.75	-74.76
CCC[N@@H+](C)CCC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030766490	1	54	0.0	-77.43	429.19	2.76	-74.67
CCC[N@H+](C)CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030766495	0	51	0.0	-73.78	406.82	2.19	-71.59
CCC[N@@H+](C)CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030766495	1	51	0.0	-72.02	406.86	2.18	-69.84
O=C(NCCOC1CCN(C(=O)C23CC[N@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300030766516	0	53	0.0	-77.78	399.72	1.59	-76.19
O=C(NCCOC1CCN(C(=O)C23CC[N@@H+](C2)CCC3)C1)C1=CC(=O)[N-]O1	REAL300030766516	1	53	0.0	-73.98	400.06	1.60	-72.38
CCCCCC[N@H+](C)CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030766541	0	60	0.0	-75.03	471.32	4.54	-70.49
CCCCCC[N@@H+](C)CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030766541	1	60	0.0	-73.30	471.36	4.52	-68.78
CC[NH+](CC)C(C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300030766545	0	60	0.0	-72.06	441.76	3.96	-68.10
CC1CC[NH+](CC(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030766575	0	55	0.0	-74.41	430.52	3.27	-71.14
C[NH+]1CCC(OCC(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030766600	0	56	0.0	-83.02	447.55	2.94	-80.08
O=C(NCCOC1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030766639	0	56	0.0	-74.21	430.93	3.32	-70.89
O=C(NCCOC1CCN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030766639	1	56	0.0	-77.71	431.23	3.26	-74.45
C[NH+](C)CC1(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030766649	0	52	0.0	-79.77	413.37	2.32	-77.45
CC(C)[NH+]1CCC(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030766660	0	58	0.0	-74.77	442.52	3.26	-71.51
CC[N@H+](C)CCC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030766680	0	51	0.0	-76.78	407.69	2.01	-74.77
CC[N@@H+](C)CCC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030766680	1	51	0.0	-76.69	407.69	2.02	-74.67
CC(C)(C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300030766702	0	58	0.0	-72.00	427.20	3.57	-68.43
O=C(NCCOC1CCN(C(=O)C2C[NH+]3CCC2CC3)C1)C1=CC(=O)[N-]O1	REAL300030766710	0	53	0.0	-81.00	404.52	2.32	-78.68
C[NH+]1CCC(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030766780	0	52	0.0	-80.21	411.83	2.29	-77.92
CC(C)[C@H](C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030766798	0	54	0.0	-71.79	410.24	2.30	-69.49
CC[NH+](CC)CC(F)C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030766882	0	54	0.0	-77.26	429.44	2.75	-74.51
CC(C)C[N@@H+]1CCC(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030766911	0	58	0.0	-74.46	448.01	3.61	-70.85
CC(C)C[N@H+]1CCC(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030766911	1	58	0.0	-75.26	447.84	3.58	-71.68
C[NH+](C)C1(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300030766914	0	52	0.0	-74.50	394.35	1.75	-72.75
CCC(C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030766944	0	57	0.0	-66.60	428.78	2.87	-63.73
CC1CCC[N@@H+]1CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030766963	0	52	0.0	-70.57	413.66	2.44	-68.13
CC1CCC[N@H+]1CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030766963	1	52	0.0	-69.04	412.80	2.55	-66.49
CC(C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300030767013	0	58	0.0	-69.31	431.37	3.11	-66.20
CC(C)[N@@H+]1CCCCC1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030767015	0	58	0.0	-67.38	430.26	2.95	-64.43
CC(C)[N@H+]1CCCCC1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030767015	1	58	0.0	-67.13	437.87	3.18	-63.95
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030767035	0	55	0.0	-67.62	422.33	2.73	-64.89
CC(C)[N@H+]1CCCC1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030767035	1	55	0.0	-67.61	421.78	2.71	-64.90
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030767041	0	58	0.0	-65.22	436.77	3.33	-61.89
CC(C)[N@H+]1CCCC1CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030767041	1	58	0.0	-71.22	446.23	3.41	-67.81
CC(C)[C@@H](C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030767053	0	54	0.0	-68.33	408.00	2.16	-66.17
CC1CC[N@H+](CC(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030767072	0	52	0.0	-73.11	412.05	2.44	-70.67
CC1CC[N@@H+](CC(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030767072	1	52	0.0	-71.26	413.67	2.51	-68.75
CC1(C)CC[N@H+](CC(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030767076	0	55	0.0	-73.26	433.22	3.04	-70.22
CC1(C)CC[N@@H+](CC(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030767076	1	55	0.0	-73.20	433.17	3.04	-70.16
C[N@H+](CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030767077	0	57	0.0	-73.77	435.43	3.19	-70.58
C[N@@H+](CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030767077	1	57	0.0	-71.58	437.38	3.33	-68.25
CC[C@@H](C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030767085	0	51	0.0	-69.99	397.31	1.79	-68.20
CC1=[NH+]C=CN1CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030767261	1	47	0.0	-69.67	397.00	2.38	-67.29
CC(C[NH+]1CCOCC1)C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030767262	0	56	0.0	-77.65	435.28	1.26	-76.39
O=C(CCC[NH+]1CCCCC1)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030767277	0	58	0.0	-76.63	453.10	4.05	-72.58
C[NH+](C)CC1=CC(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300030767291	1	51	0.0	-81.14	422.78	1.88	-79.26
CC1=C(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300030767292	0	50	0.0	-78.63	419.17	4.42	-74.21
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030767323	1	53	0.0	-69.14	433.24	3.50	-65.64
O=C(NCCOC1CCN(C(=O)C2CCCC3CCC[N@@H+]32)C1)C1=CC(=O)[N-]O1	REAL300030767354	0	56	0.0	-66.99	418.97	2.90	-64.09
O=C(NCCOC1CCN(C(=O)C2CCCC3CCC[N@H+]32)C1)C1=CC(=O)[N-]O1	REAL300030767354	1	56	0.0	-68.52	419.33	2.80	-65.72
CC[N@@H+]1CCOC(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030767369	1	53	0.0	-84.04	418.15	1.71	-82.33
CC[N@H+]1CCOC(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030767369	1	53	0.0	-80.54	417.71	1.69	-78.85
O=C(NCCOC1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300030767418	0	47	0.0	-78.98	402.20	4.16	-74.82
CC1=C[NH+]=CN1CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030767423	1	47	0.0	-73.82	397.35	3.12	-70.70
C[C@@H]1[C@H](C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030767436	0	52	0.0	-75.73	403.04	1.72	-74.01
C[C@@H]1[C@H](C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030767436	1	52	0.0	-72.63	408.33	2.23	-70.40
CC[C@@H]1[C@@H](C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030767440	0	55	0.0	-78.53	420.30	2.27	-76.26
CC[C@@H]1[C@@H](C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030767440	1	55	0.0	-77.30	425.17	2.65	-74.65
CC1CCC(C)[NH+]1CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030767451	0	55	0.0	-70.19	424.75	2.80	-67.39
O=C(CCC[NH+]1CCCC1)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030767457	0	55	0.0	-76.37	437.43	3.34	-73.03
C#CC[NH+]1CCC(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030767463	0	54	0.0	-82.54	436.51	3.44	-79.10
O=C(CC[NH+]1CCCCC1)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030767464	0	55	0.0	-75.91	431.59	3.23	-72.68
CC[N@@H+]1CCCCC1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030767470	0	55	0.0	-72.10	417.98	2.68	-69.42
CC[N@H+]1CCCCC1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030767470	1	55	0.0	-68.13	425.84	2.96	-65.17
C[NH+](C)C1(CC(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030767507	0	58	0.0	-78.84	431.48	3.23	-75.61
C[N@H+](CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030767638	0	52	0.0	-71.22	413.81	2.77	-68.45
C[N@@H+](CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030767638	1	52	0.0	-71.81	413.72	2.76	-69.05
CC(C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300030767660	0	58	0.0	-70.23	435.97	3.16	-67.07
O=C(CCCC[NH+]1CCCC1)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030767672	0	58	0.0	-77.30	458.92	4.12	-73.18
C[NH+]1CCC(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030767683	0	52	0.0	-80.21	411.83	2.29	-77.92
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030767720	0	49	0.0	-72.29	385.36	1.26	-71.03
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030767720	1	49	0.0	-69.69	389.88	1.63	-68.06
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030767742	1	51	0.0	-67.89	412.90	2.50	-65.39
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030767742	1	51	0.0	-71.56	415.69	2.88	-68.68
C[N@@H+]1CCCC1CCC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030767747	0	55	0.0	-75.63	435.15	3.27	-72.36
C[N@H+]1CCCC1CCC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030767747	1	55	0.0	-75.58	428.63	2.80	-72.78
O=C(NCCOC1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1)C1=CC(=O)[N-]O1	REAL300030767756	0	56	0.0	-73.83	413.88	2.41	-71.42
O=C(NCCOC1CCN(C(=O)C2CCC3CCCC[N@@H+]32)C1)C1=CC(=O)[N-]O1	REAL300030767759	0	56	0.0	-68.94	431.26	3.56	-65.38
O=C(NCCOC1CCN(C(=O)C2CCC3CCCC[N@H+]32)C1)C1=CC(=O)[N-]O1	REAL300030767759	1	56	0.0	-68.71	427.09	3.21	-65.50
CCC[N@@H+]1CCCC(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030767823	0	58	0.0	-69.11	451.11	3.69	-65.42
CCC[N@H+]1CCCC(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030767823	1	58	0.0	-68.30	439.90	3.67	-64.63
CC(C)[N@@H+]1CCOC(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030767838	1	56	0.0	-63.12	426.86	1.98	-61.14
CC(C)[N@H+]1CCOC(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030767838	1	56	0.0	-78.53	434.53	2.18	-76.35
C[N@@H+]1CCCCC1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030767860	0	52	0.0	-66.77	407.26	2.31	-64.46
C[N@H+]1CCCCC1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030767860	1	52	0.0	-69.44	407.02	2.25	-67.19
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030767881	0	58	0.0	-68.51	446.66	3.65	-64.86
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030767881	1	58	0.0	-68.66	438.44	4.00	-64.66
O=C(C[NH+]1CCC(CO)CC1)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030767895	0	56	0.0	-75.21	441.35	-0.04	-75.25
CC1C(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030767936	0	52	0.0	-75.47	408.28	2.28	-73.19
CC1C(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030767936	1	52	0.0	-72.72	408.06	2.31	-70.41
C[N@@H+]1CCCCC1CCC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030767938	0	58	0.0	-78.08	440.67	3.52	-74.56
C[N@H+]1CCCCC1CCC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030767938	1	58	0.0	-75.45	440.69	3.51	-71.94
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768020	0	55	0.0	-67.74	406.49	1.81	-65.93
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768020	1	55	0.0	-68.18	427.63	2.45	-65.73
C[C@@H](C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030768038	0	48	0.0	-72.46	383.43	1.10	-71.36
C=CCC(C)(C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030768052	0	55	0.0	-75.47	409.16	2.53	-72.94
O=C(CC[NH+]1CCCC1)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768073	0	52	0.0	-73.99	415.95	2.52	-71.47
C[N@H+](CCO)CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768083	1	49	0.0	-72.37	395.71	-1.79	-74.16
C[N@@H+](CCO)CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768083	1	49	0.0	-74.25	395.47	-1.79	-76.04
O=C(NCCOC1CCN(C(=O)C2C[N@@H+]3CCN2CCC3)C1)C1=CC(=O)[N-]O1	REAL300030768118	0	55	0.0	-81.09	414.17	-0.01	-81.10
O=C(NCCOC1CCN(C(=O)C2C[N@H+]3CCN2CCC3)C1)C1=CC(=O)[N-]O1	REAL300030768118	1	55	0.0	-84.33	413.57	0.01	-84.32
CC(C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300030768138	1	53	0.0	-74.33	425.29	2.70	-71.63
C[N@H+]1CC=C(CC(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030768169	0	53	0.0	-74.38	425.86	3.12	-71.26
C[N@@H+]1CC=C(CC(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030768169	1	53	0.0	-71.64	426.73	3.13	-68.51
C[S+](C)CCC(O)C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768183	0	51	0.0	-65.03	427.59	0.17	-64.86
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768201	0	53	0.0	-68.99	402.78	-1.78	-70.77
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768201	1	53	0.0	-82.25	405.42	-1.63	-83.88
CN1CC[N@H+](C)CC(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030768211	0	57	0.0	-70.81	439.67	0.74	-70.07
CN1CC[N@@H+](C)CC(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030768211	1	57	0.0	-71.09	437.30	0.67	-70.42
CC(C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300030768212	0	56	0.0	-73.27	436.33	-0.42	-73.69
CC(C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300030768212	1	56	0.0	-73.74	434.28	-0.20	-73.94
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030768241	0	56	0.0	-75.07	434.18	1.25	-73.82
C[N@H+]1CCCC(O)(CC(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030768241	1	56	0.0	-75.18	425.34	1.07	-74.11
CC1C[NH+](CC(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030768245	1	49	0.0	-74.23	398.89	1.88	-72.35
CC[N@@H+]1CCCC(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030768251	0	55	0.0	-66.66	419.51	3.04	-63.62
CC[N@H+]1CCCC(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030768251	1	55	0.0	-71.42	421.11	3.08	-68.34
NC1=[NH+]C=CC=C1CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768257	0	48	0.0	-69.87	401.83	0.61	-69.26
O=C(NCCOC1CCN(C(=O)C2CCC[N@@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300030768267	0	53	0.0	-73.73	418.72	2.71	-71.02
O=C(NCCOC1CCN(C(=O)C2CCC[N@H+]2C2CC2)C1)C1=CC(=O)[N-]O1	REAL300030768267	1	53	0.0	-72.40	418.60	2.70	-69.70
O=C(C=CC[NH+]1CCCC1)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768303	0	53	0.0	-76.07	427.49	3.04	-73.03
O=C(NCCOC1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1)C1=CC(=O)[N-]O1	REAL300030768323	0	56	0.0	-77.44	436.67	3.50	-73.94
CC[N@H+](C)CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768364	0	48	0.0	-73.48	385.33	1.45	-72.03
O=C(CN1CC2C=CC1C2)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768410	0	51	0.0	-69.78	406.48	2.64	-67.14
O=C(C[N@@H+]1CC2C=CC1C2)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768410	1	51	0.0	-67.46	406.06	2.63	-64.83
O=C(C[N@H+]1CC2C=CC1C2)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768410	1	51	0.0	-67.46	406.06	2.63	-64.83
O=C(NCCOC1CCN(C(=O)C23CCC[N@@H+]2CCCC3)C1)C1=CC(=O)[N-]O1	REAL300030768525	0	56	0.0	-66.83	414.83	2.50	-64.33
O=C(NCCOC1CCN(C(=O)C23CCC[N@H+]2CCCC3)C1)C1=CC(=O)[N-]O1	REAL300030768525	1	56	0.0	-66.83	414.83	2.50	-64.33
O=C(NCCOC1CCN(C(=O)C23CCC[N@@H+]2CC=CC3)C1)C1=CC(=O)[N-]O1	REAL300030768532	0	54	0.0	-66.12	407.74	2.38	-63.74
O=C(NCCOC1CCN(C(=O)C23CCC[N@H+]2CC=CC3)C1)C1=CC(=O)[N-]O1	REAL300030768532	1	54	0.0	-66.12	407.74	2.38	-63.74
CC(OCC[NH+](C)C)C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768541	0	55	0.0	-76.05	438.41	2.38	-73.67
C[NH+](C)CCOCCC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768550	0	55	0.0	-76.53	444.41	1.60	-74.93
COCCN(C)CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768552	0	52	0.0	-73.98	417.73	0.62	-73.36
COCC[N@H+](C)CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768552	1	52	0.0	-72.54	417.97	0.61	-71.93
COCC[N@@H+](C)CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768552	1	52	0.0	-72.54	417.97	0.61	-71.93
CC(CCC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030768557	0	54	0.0	-80.83	421.24	2.54	-78.29
CC[N@H+](CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030768580	0	52	0.0	-70.83	413.65	2.79	-68.04
CC1C[N@@H+]2CCN1C(C(=O)N1CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030768595	0	55	0.0	-84.89	416.35	-0.53	-85.42
C[N@@H+]1CC2CC1(C(=O)N1CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030768617	0	50	0.0	-70.83	394.75	1.75	-69.08
O=C(C[N@@H+]1CC2CCC1C2)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768631	0	53	0.0	-70.85	411.95	2.69	-68.16
O=C(C[N@H+]1CC2CCC1C2)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768631	1	53	0.0	-70.85	411.95	2.69	-68.16
CC(C[NH+](C)C)C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768650	0	51	0.0	-77.00	402.24	1.80	-75.20
CCN1CCC1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768696	0	49	0.0	-73.99	399.24	1.73	-72.26
CC[N@@H+]1CCC1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768696	1	49	0.0	-71.16	397.39	1.73	-69.43
CC[N@H+]1CCC1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768696	1	49	0.0	-71.16	397.39	1.73	-69.43
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030768708	0	58	0.0	-67.62	435.01	3.46	-64.16
CC(C)[N@H+]1CCCC(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030768708	1	58	0.0	-67.62	435.01	3.46	-64.16
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768721	0	57	0.0	-70.66	432.03	1.24	-69.42
C#CCN1CCCCC1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768760	0	54	0.0	-69.48	432.40	3.44	-66.04
C#CC[N@H+]1CCCCC1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768760	1	54	0.0	-71.60	425.22	3.23	-68.37
C#CC[N@@H+]1CCCCC1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768760	1	54	0.0	-71.60	425.22	3.23	-68.37
CNC1=NC(C)=CC=C1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768761	0	51	0.0	-67.12	416.83	1.39	-65.73
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768761	1	51	0.0	-67.12	416.83	1.39	-65.73
CCCC(C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030768771	0	54	0.0	-70.84	417.61	2.46	-68.38
C[NH+](C)C(C)(C)C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768778	0	51	0.0	-72.97	384.90	1.57	-71.40
CC(CC[NH+](C)C)C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768796	0	54	0.0	-78.31	426.96	2.49	-75.82
O=C(NCCOC1CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1)C1=CC(=O)[N-]O1	REAL300030768857	0	54	0.0	-70.68	421.16	3.22	-67.46
O=C(NCCOC1CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1)C1=CC(=O)[N-]O1	REAL300030768857	1	54	0.0	-74.16	419.68	4.15	-70.01
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768886	0	55	0.0	-71.87	425.99	2.41	-69.46
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768886	1	55	0.0	-73.91	420.27	2.38	-71.53
C[NH+](C)CCCCCC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768889	0	57	0.0	-77.99	454.45	3.73	-74.26
O=C(CC[NH+]1CCC(O)CC1)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768893	0	56	0.0	-79.74	442.23	-0.15	-79.89
CCC[N@@H+]1CCCCC1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768897	0	58	0.0	-70.78	445.44	3.64	-67.14
CCC[N@H+]1CCCCC1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768897	1	58	0.0	-69.73	439.44	3.43	-66.30
C[NH+]1CCN(CC(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030768906	1	54	0.0	-73.32	426.64	0.28	-73.04
CC1C[N@H+](C)CC(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030768992	1	53	0.0	-79.03	414.24	1.36	-77.67
CC1C[N@@H+](C)CC(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030768992	1	53	0.0	-72.10	413.82	1.60	-70.50
CCC1CCC[N@H+](CC(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030769024	0	58	0.0	-69.33	440.21	3.42	-65.91
CCC1CCC[N@@H+](CC(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030769024	1	58	0.0	-73.91	448.58	3.89	-70.02
C[NH+](C)CC1=CC=C(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030769032	0	53	0.0	-87.67	429.01	2.05	-85.62
O=C(C[NH+]1CC2CC2C1)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030769045	0	50	0.0	-73.88	403.06	2.66	-71.22
O=C(CC1([NH+]2CCCC2)CC1)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030769057	0	56	0.0	-71.97	432.74	3.54	-68.43
C[N@@H+]1CCCCC1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030769092	0	52	0.0	-66.77	407.26	2.31	-64.46
C[N@H+]1CCCCC1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030769092	1	52	0.0	-69.44	407.02	2.25	-67.19
C[N@@H+]1CCC(=CC(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030769198	0	50	0.0	-76.85	405.78	2.30	-74.55
C[N@H+]1CCC(=CC(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030769198	1	50	0.0	-77.14	405.71	2.30	-74.84
O=C(CNC1=CC=[NH+]C=C1)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030769203	0	48	0.0	-75.83	403.31	0.05	-75.78
CC[NH+]1CCN(CC(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030769256	0	57	0.0	-72.18	444.38	0.96	-71.22
O=C(C=C1C[NH+]2CCC1CC2)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030769259	0	54	0.0	-69.23	423.30	3.17	-66.06
C[NH+](C)C1(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030769293	0	55	0.0	-72.13	407.20	2.31	-69.82
C[N@H+](CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300030769304	0	56	0.0	-67.64	438.26	0.18	-67.46
C[N@@H+](CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300030769304	1	56	0.0	-71.53	436.96	0.02	-71.51
CCC1C[NH+](CC(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030769308	1	52	0.0	-75.10	420.05	2.59	-72.51
O=C(NCCOC1CCN(C(=O)C2([NH+]3CCCC3)CCC2)C1)C1=CC(=O)[N-]O1	REAL300030769311	0	56	0.0	-72.55	424.79	3.04	-69.51
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030769323	0	49	0.0	-70.45	389.47	1.58	-68.87
C[N@H+]1CCC[C@H]1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030769323	1	49	0.0	-73.96	385.36	1.25	-72.71
CC[N@@H+]1CCOCC1CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030769349	0	56	0.0	-75.49	431.36	1.10	-74.39
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030769460	0	52	0.0	-75.99	417.40	2.49	-73.50
C[NH+](C)C1CCC(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030769474	0	58	0.0	-66.61	436.67	3.44	-63.17
C[NH+](C)CCC1(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030769475	0	55	0.0	-78.34	439.28	3.10	-75.24
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030769477	0	58	0.0	-67.16	436.77	3.44	-63.72
C[N@@H+]1CC=CCC1CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030769478	0	53	0.0	-79.08	418.86	2.85	-76.23
C[N@H+]1CC=CCC1CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030769478	1	53	0.0	-79.08	418.86	2.85	-76.23
C[NH+](C)CCOCC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030769532	0	52	0.0	-74.96	423.47	1.89	-73.07
CCCCC[N@H+](C)CCC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030769537	0	60	0.0	-78.37	472.19	4.33	-74.04
CCCCC[N@@H+](C)CCC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030769537	1	60	0.0	-78.37	472.19	4.33	-74.04
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030769548	0	56	0.0	-73.46	441.24	2.65	-70.81
[NH2+]=C1SC=CN1CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030769571	0	45	0.0	-70.47	394.66	0.96	-69.51
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030769638	0	55	0.0	-73.57	438.53	2.36	-71.21
O=C(CC[NH+]1CCCCCC1)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030769673	0	58	0.0	-78.20	441.61	3.43	-74.77
O=C(C[NH+]1CCCCC1)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030769676	0	52	0.0	-73.38	409.33	2.64	-70.74
C[N@@H+]1CCCC(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030769678	0	52	0.0	-72.89	403.47	2.43	-70.46
C[N@H+]1CCCC(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030769678	1	52	0.0	-61.66	401.03	2.30	-59.36
O=C(C[NH+]1CCC(CO)CC1)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030769679	0	56	0.0	-75.21	441.35	-0.04	-75.25
O=C(C[NH+]1CCCCCC1)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030769680	0	55	0.0	-72.66	418.56	2.84	-69.82
CN1C=C[N+](CC(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030769685	0	47	0.0	-72.03	398.82	4.30	-67.73
C[NH+](C)CC1=CC=C(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030769700	1	52	0.0	-82.49	428.11	2.49	-80.00
O=C(C[NH+]1CCC(O)CC1)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030769716	1	53	0.0	-78.78	420.76	-0.70	-79.48
C[N@@H+](CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030769720	1	49	0.0	-71.31	397.00	2.20	-69.11
CC(C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300030769722	1	57	0.0	-67.56	433.51	0.24	-67.32
O=C(CC[N@@H+]1CCC(F)C1)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030769724	1	52	0.0	-78.48	420.79	2.53	-75.95
COC1C[N@@H+](C)C(C)(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030769733	1	56	0.0	-76.59	427.82	0.87	-75.72
CC(CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030769750	0	54	0.0	-77.48	424.62	2.81	-74.67
O=C(NCCOC1CCN(C(=O)C2CC[N@@H+]3CCOCC23)C1)C1=CC(=O)[N-]O1	REAL300030769762	0	54	0.0	-77.98	423.21	0.92	-77.06
O=C(NCCOC1CCN(C(=O)C2CC[N@H+]3CCOCC23)C1)C1=CC(=O)[N-]O1	REAL300030769762	1	54	0.0	-69.64	418.09	0.93	-68.71
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(OCCNC(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300030769767	0	50	0.0	-74.20	423.64	3.94	-70.26
CN1CCOCC1CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030769780	0	53	0.0	-82.84	416.97	0.60	-82.24
C[N@@H+]1CCOCC1CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030769780	1	53	0.0	-70.89	409.83	0.47	-70.42
C[N@H+]1CCOCC1CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030769780	1	53	0.0	-82.84	416.97	0.60	-82.24
CC[NH+]1CCN(CC(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030769788	0	57	0.0	-72.18	444.38	0.96	-71.22
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030769840	1	48	0.0	-73.43	396.62	0.02	-73.41
NC1=CC=C(CCC(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300030769843	0	51	0.0	-73.15	426.63	1.30	-71.85
CC1(O)CC[N@H+](CC(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030769880	0	53	0.0	-72.54	423.57	-0.83	-73.37
CC1(O)CC[N@@H+](CC(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030769880	1	53	0.0	-71.15	423.66	-0.83	-71.98
C[NH+]1CC(CC(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030769912	0	49	0.0	-76.69	398.88	1.62	-75.07
O=C(NCCOC1CCN(C(=O)C2CC[N@@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300030769916	0	56	0.0	-72.92	433.33	3.34	-69.58
O=C(NCCOC1CCN(C(=O)C2CC[N@H+]2C2CCCC2)C1)C1=CC(=O)[N-]O1	REAL300030769916	1	56	0.0	-74.77	438.21	3.54	-71.23
C[NH+](C)CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030769924	0	45	0.0	-74.29	367.60	0.78	-73.51
C[N@H+](CCO)CCC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030769952	0	52	0.0	-76.22	418.04	-1.20	-77.42
C[N@@H+](CCO)CCC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030769952	1	52	0.0	-76.10	418.00	-1.20	-77.30
C[C@@H](C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030769953	0	48	0.0	-72.46	383.43	1.10	-71.36
C[N@@H+]1CCCCC1CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030769971	0	55	0.0	-78.11	426.88	2.98	-75.13
C[N@H+]1CCCCC1CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030769971	1	55	0.0	-66.86	418.45	2.85	-64.01
CC1=C2C=C(C(=O)N3CCC(OCCNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030769990	1	50	0.0	-76.86	424.22	4.75	-72.11
CC(C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300030769991	0	52	0.0	-71.44	415.07	2.32	-69.12
CC1CC[N@@H+]1CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030769995	1	49	0.0	-71.31	398.88	1.85	-69.46
CC1CC[N@H+]1CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030769995	1	49	0.0	-70.79	398.97	1.87	-68.92
C[NH+](C)CC=CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030770006	0	49	0.0	-79.42	404.14	2.01	-77.41
CC1(C)C[NH+](CC(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030770018	1	52	0.0	-72.45	418.00	2.35	-70.10
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030770033	1	53	0.0	-70.63	437.83	2.10	-68.53
CC1=C2C=C(C(=O)N3CCC(OCCNC(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030770044	1	50	0.0	-76.86	424.22	4.75	-72.11
C[NH+](C)CCSCC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030770053	0	52	0.0	-82.08	434.49	2.75	-79.33
O=C(C[N@H+]1CCCC1CO)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030770078	0	53	0.0	-70.87	417.23	-1.15	-72.02
O=C(C[N@@H+]1CCCC1CO)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030770078	1	53	0.0	-70.96	417.31	-1.15	-72.11
CC[NH+](CC)CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030770082	0	51	0.0	-71.84	403.66	2.14	-69.70
C[N@H+](CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300030770092	0	53	0.0	-78.34	427.08	3.03	-75.31
C[N@@H+](CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300030770092	1	53	0.0	-78.18	426.87	3.03	-75.15
O=C(C[NH+]1CCC1)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030770094	1	46	0.0	-74.47	377.92	1.26	-73.21
CC[NH+](CC)CCC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030770138	0	54	0.0	-75.74	425.54	2.72	-73.02
C[NH+](C)CC1=CNC(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030770198	0	53	0.0	-80.56	428.54	2.15	-78.41
CC(C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300030770215	0	56	0.0	-73.84	436.19	-0.42	-74.26
O=C(NCCOC1CCN(C(=O)C2CC3COCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030770220	0	54	0.0	-77.28	422.59	0.93	-76.35
O=C(NCCOC1CCN(C(=O)C2CC3COCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030770220	1	54	0.0	-74.07	420.55	0.96	-73.11
CC(C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030770232	1	49	0.0	-72.20	389.34	1.36	-70.84
CCC(CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030770237	0	57	0.0	-76.36	439.08	3.28	-73.08
NC1=CC=C(C=CC(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C=[NH+]1	REAL300030770244	0	49	0.0	-78.56	414.27	0.97	-77.59
C[NH+](C)CC(C)(C)C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030770245	0	54	0.0	-70.29	403.76	1.92	-68.37
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030770301	0	52	0.0	-73.16	400.00	2.02	-71.14
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030770301	1	52	0.0	-69.99	407.20	2.27	-67.72
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030770315	0	55	0.0	-79.95	416.30	-0.60	-80.55
CC1CN2CC[N@H+]1CC2C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030770315	1	55	0.0	-75.49	416.32	-0.57	-76.06
C[NH+](C)CC(O)CC(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030770336	0	52	0.0	-81.04	420.19	-0.15	-81.19
C[NH+]1C2CCC1CC(C(=O)N1CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030770338	0	56	0.0	-73.69	401.57	2.63	-71.06
C=CCC(C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030770369	0	52	0.0	-69.87	409.32	2.23	-67.64
O=C(NCCOC1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030770377	0	56	0.0	-74.21	430.93	3.32	-70.89
O=C(NCCOC1CCN(C(=O)C2CC3CCCC[N@H+]3C2)C1)C1=CC(=O)[N-]O1	REAL300030770377	1	56	0.0	-77.71	431.23	3.26	-74.45
C[NH+]1CCC(C)(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030770388	0	55	0.0	-70.10	414.27	2.27	-67.83
C[NH+]1CCC(O)(CC(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030770390	0	56	0.0	-76.51	438.13	1.13	-75.38
CC1=C2C=C(C(=O)NCCOC3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030770462	1	50	0.0	-71.06	417.07	4.71	-66.35
C[NH+](C)CCSCC(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030770471	0	52	0.0	-79.52	430.65	2.57	-76.95
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2COCC[N@@H+]2C1	REAL300030770478	0	54	0.0	-72.23	423.11	0.99	-71.24
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC2COCC[N@H+]2C1	REAL300030770478	1	54	0.0	-69.58	422.48	0.99	-68.59
C[N@@H+]1CCCC1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030770641	0	52	0.0	-73.53	377.41	4.02	-69.51
C[N@H+]1CCCC1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030770641	1	52	0.0	-75.52	370.86	3.61	-71.91
C[N@@H+]1CCOC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030770665	1	53	0.0	-72.86	381.12	3.36	-69.50
C[N@H+]1CCOC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030770665	1	53	0.0	-85.52	388.18	3.51	-82.01
CC(C)[N@@H+]1CCCC1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030770821	0	58	0.0	-73.98	403.34	5.34	-68.64
CC(C)[N@H+]1CCCC1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030770821	1	58	0.0	-71.62	409.70	5.18	-66.44
CC1=[NH+]C=CN1CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030770854	1	50	0.0	-69.72	380.25	4.66	-65.06
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCC1CC2	REAL300030770882	0	56	0.0	-74.05	392.04	4.86	-69.19
C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030770916	0	55	0.0	-76.85	386.05	4.15	-72.70
C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030770916	1	55	0.0	-77.01	393.33	4.32	-72.69
CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030770918	0	58	0.0	-72.16	407.41	4.73	-67.43
CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030770918	1	58	0.0	-71.72	413.11	5.07	-66.65
CC[N@@H+]1CCOC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030770925	1	56	0.0	-83.80	406.07	4.17	-79.63
CC[N@H+]1CCOC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030770925	1	56	0.0	-79.90	406.05	4.17	-75.73
CC[NH+](CC)CC(F)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030770953	0	57	0.0	-75.94	410.80	4.74	-71.20
CC1CCC(C)[NH+]1CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030770989	0	58	0.0	-68.78	407.85	4.90	-63.88
O=C(CCC[NH+]1CCCC1)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030770992	0	58	0.0	-75.37	420.72	5.58	-69.79
O=C(CC[NH+]1CCCCC1)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030770995	0	58	0.0	-76.62	414.90	5.48	-71.14
CC[N@@H+]1CCCCC1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030770998	0	58	0.0	-67.85	409.96	5.35	-62.50
CC[N@H+]1CCCCC1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030770998	1	58	0.0	-73.17	401.24	5.15	-68.02
C[NH+](C)C1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300030771009	0	55	0.0	-68.54	384.54	4.66	-63.88
CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030771016	0	57	0.0	-74.29	397.62	5.45	-68.84
C[N@H+](CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030771041	0	55	0.0	-71.53	397.07	5.04	-66.49
C[N@@H+](CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030771041	1	55	0.0	-71.50	396.97	5.04	-66.46
C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030771117	1	54	0.0	-74.36	397.33	4.81	-69.55
C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030771117	1	54	0.0	-74.18	403.34	5.32	-68.86
C[N@@H+]1CCCC1CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030771122	0	58	0.0	-77.76	418.28	5.56	-72.20
C[N@H+]1CCCC1CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030771122	1	58	0.0	-74.34	412.87	5.09	-69.25
C[NH+]1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030771142	0	55	0.0	-78.85	395.49	4.75	-74.10
C[N@@H+]1CCCCC1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030771181	0	55	0.0	-70.73	384.67	4.37	-66.36
C[N@H+]1CCCCC1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030771181	1	55	0.0	-73.27	392.90	4.66	-68.61
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CN2C=[NH+]C=C2C=C1	REAL300030771251	0	50	0.0	-72.99	381.48	6.52	-66.47
O=C(CC[NH+]1CCOCC1)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030771258	1	56	0.0	-79.99	406.17	3.05	-76.94
CC1=C[NH+]=CN1CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030771271	1	50	0.0	-71.56	380.61	5.40	-66.16
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+]1CCC2	REAL300030771292	0	56	0.0	-76.76	395.62	5.04	-71.72
C[N@@H+]1CCC(CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030771303	0	55	0.0	-73.79	397.65	4.62	-69.17
C[N@H+]1CCC(CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030771303	1	55	0.0	-77.48	397.50	4.65	-72.83
CN(C)C1=CC=[NH+]C=C1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030771309	0	54	0.0	-76.95	401.56	3.87	-73.08
CCC(C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030771311	0	54	0.0	-73.48	379.96	4.13	-69.35
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CC2=C[NH+]=CN2C=C1	REAL300030771338	1	50	0.0	-75.54	381.28	6.58	-68.96
C[NH+](C)CCCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030771370	0	57	0.0	-76.50	416.26	5.18	-71.32
CC(C)C(C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030771384	0	57	0.0	-74.84	398.96	5.38	-69.46
CCC[N@H+](C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030771385	0	57	0.0	-77.75	412.49	5.00	-72.75
CCC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030771385	1	57	0.0	-74.16	412.43	5.01	-69.15
CCC[N@H+](C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030771389	0	54	0.0	-73.57	390.08	4.48	-69.09
CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030771389	1	54	0.0	-73.42	390.08	4.48	-68.94
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C12CC[N@H+](C1)CCC2	REAL300030771404	0	56	0.0	-76.09	392.91	4.30	-71.79
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C12CC[N@@H+](C1)CCC2	REAL300030771404	1	56	0.0	-76.15	392.45	4.25	-71.90
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030771430	0	52	0.0	-73.04	370.79	3.60	-69.44
C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030771430	1	52	0.0	-72.96	377.37	4.05	-68.91
CC[NH+](CC)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030771465	0	54	0.0	-75.26	382.33	4.11	-71.15
CC1CC[NH+](CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030771526	0	58	0.0	-73.59	413.42	5.54	-68.05
C[NH+](C)CC1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030771548	0	55	0.0	-74.94	400.47	4.79	-70.15
C[NH+]1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030771601	0	55	0.0	-78.85	395.49	4.75	-74.10
CC(C)[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030771617	0	57	0.0	-73.90	397.36	4.59	-69.31
CCC(C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300030771645	0	60	0.0	-70.43	415.07	5.48	-64.95
CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030771686	0	54	0.0	-73.41	390.94	4.25	-69.16
CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030771686	1	54	0.0	-73.53	390.94	4.25	-69.28
CC1CCC[N@@H+]1CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030771716	0	55	0.0	-74.15	396.17	4.85	-69.30
CC1CCC[N@H+]1CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030771716	1	55	0.0	-73.56	389.54	4.44	-69.12
CC1CC[N@H+](CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030771718	0	55	0.0	-76.15	396.19	4.74	-71.41
CC1CC[N@@H+](CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030771718	1	55	0.0	-76.12	396.16	4.72	-71.40
CC1(C)CC[N@H+](CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030771722	0	58	0.0	-76.38	416.49	5.29	-71.09
CC1(C)CC[N@@H+](CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030771722	1	58	0.0	-76.51	416.33	5.31	-71.20
C[N@H+](CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030771723	0	60	0.0	-77.06	418.64	5.45	-71.61
C[N@@H+](CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030771723	1	60	0.0	-72.32	425.06	5.81	-66.51
CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030771731	0	54	0.0	-73.58	380.50	4.14	-69.44
C[NH+](C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030771835	0	48	0.0	-77.30	350.88	3.07	-74.23
O=C(C[NH+]1CCCCCC1)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030771839	0	58	0.0	-73.17	401.82	5.10	-68.07
CN1C=C[N+](CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)=C1	REAL300030771842	0	50	0.0	-73.85	382.14	6.57	-67.28
C[N@@H+]1CCCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030771847	0	55	0.0	-75.76	395.46	4.71	-71.05
C[N@H+]1CCCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030771847	1	55	0.0	-75.95	395.49	4.68	-71.27
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1CCC[N@@H+]1C1CC1	REAL300030771852	0	56	0.0	-69.63	398.39	4.86	-64.77
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1CCC[N@H+]1C1CC1	REAL300030771852	1	56	0.0	-74.67	401.43	5.06	-69.61
CC(C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030771868	1	52	0.0	-73.68	379.22	4.06	-69.62
CCC(CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030771872	0	60	0.0	-80.27	425.79	5.67	-74.60
C[NH+](C)CC(C)(C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030771877	0	57	0.0	-74.45	397.32	4.94	-69.51
O=C(C[NH+]1CCC(O)CC1)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030771892	1	56	0.0	-77.57	403.66	1.58	-75.99
C[N@H+](CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030771893	0	52	0.0	-70.69	380.11	4.46	-66.23
C[N@@H+](CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030771893	1	52	0.0	-74.62	380.30	4.48	-70.14
C[NH+]1CC(CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030771909	0	52	0.0	-76.21	382.32	3.89	-72.32
CC(C)(C)[N@@H+]1CCC1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030771920	0	58	0.0	-70.54	395.96	4.44	-66.10
CC(C)(C)[N@H+]1CCC1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030771920	1	58	0.0	-72.82	412.38	4.76	-68.06
C[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030771931	0	51	0.0	-70.96	368.76	3.46	-67.50
[NH2+]=C1SC=CN1CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030771990	0	48	0.0	-72.50	377.96	3.24	-69.26
C[N@H+](CCO)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030771997	0	55	0.0	-73.63	401.29	1.04	-72.59
C[N@@H+](CCO)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030771997	1	55	0.0	-76.39	401.14	1.06	-75.33
C[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030771998	0	51	0.0	-70.96	368.76	3.46	-67.50
C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772002	0	55	0.0	-74.55	384.34	4.39	-70.16
C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772002	1	55	0.0	-73.27	392.90	4.66	-68.61
O=C(C[NH+]1CCC1)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772052	1	49	0.0	-76.74	361.61	3.52	-73.22
C[N@@H+]1CCC(=CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030772071	0	53	0.0	-77.95	388.79	4.62	-73.33
C[N@H+]1CCC(=CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030772071	1	53	0.0	-77.96	388.73	4.62	-73.34
C[NH+](C)CCOCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772094	0	55	0.0	-74.72	406.78	4.11	-70.61
C=CCC(C)(C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030772108	0	58	0.0	-71.26	406.24	5.11	-66.15
C[S+](C)CCC(O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772112	0	54	0.0	-79.75	415.75	2.72	-77.03
C[N@@H+]1CC(O)CC1(C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772131	0	56	0.0	-82.04	397.31	1.17	-80.87
CC1CN(CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030772150	0	52	0.0	-76.72	382.11	4.13	-72.59
CC1C[NH+](CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030772150	1	52	0.0	-76.72	382.11	4.13	-72.59
CN(CCO)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772168	0	52	0.0	-73.43	378.94	0.49	-72.94
C[N@H+](CCO)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772168	1	52	0.0	-73.28	378.88	0.52	-72.76
C[N@@H+](CCO)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772168	1	52	0.0	-73.28	378.88	0.52	-72.76
CC[N@@H+]1CCCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030772188	0	58	0.0	-70.89	413.09	5.34	-65.55
CC[N@H+]1CCCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030772188	1	58	0.0	-70.89	413.09	5.34	-65.55
CC(CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030772190	0	57	0.0	-76.39	408.07	5.07	-71.32
CC[N@H+](C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772195	0	51	0.0	-72.95	368.58	3.72	-69.23
CC[N@H+](CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030772228	0	55	0.0	-74.02	396.99	5.06	-68.96
CC[NH+](CC)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772238	0	57	0.0	-75.97	408.26	4.96	-71.01
CC1(C)CN(CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030772256	0	55	0.0	-76.88	401.47	4.69	-72.19
CC1(C)C[NH+](CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030772256	1	55	0.0	-76.88	401.47	4.69	-72.19
CC1(O)CC[N@H+](CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030772274	0	56	0.0	-77.34	407.21	1.44	-75.90
C[NH+](C)CC=CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772278	0	52	0.0	-78.74	388.32	4.30	-74.44
CC(OCC[NH+](C)C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772287	0	58	0.0	-69.70	426.58	4.80	-64.90
C[NH+](C)CCOCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772293	0	58	0.0	-74.44	427.71	3.85	-70.59
COCCN(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772294	0	55	0.0	-73.20	401.13	2.92	-70.28
COCC[N@H+](C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772294	1	55	0.0	-73.61	401.19	2.89	-70.72
COCC[N@@H+](C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772294	1	55	0.0	-73.61	401.19	2.89	-70.72
C[NH+](C)C1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300030772314	0	58	0.0	-80.04	402.82	5.31	-74.73
CC(CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030772316	0	57	0.0	-78.66	404.53	4.80	-73.86
CCN1CCC1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772322	0	52	0.0	-75.33	382.60	4.08	-71.25
CC[N@@H+]1CCC1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772322	1	52	0.0	-75.39	382.69	4.09	-71.30
CC[N@H+]1CCC1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772322	1	52	0.0	-75.39	382.69	4.09	-71.30
O=C(C[N@H+]1CCCC1CO)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772335	0	56	0.0	-75.87	404.06	1.65	-74.22
C[NH+]1CCC(C)(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030772357	0	58	0.0	-74.19	408.10	5.14	-69.05
C=CCC(C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030772376	0	55	0.0	-74.26	394.57	4.57	-69.69
C[N@@H+]1CC(C)(C)CC1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772383	0	58	0.0	-70.80	411.17	4.68	-66.12
C[NH+](C)CCCCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772385	0	60	0.0	-75.43	437.78	5.96	-69.47
CCCC(C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030772406	0	57	0.0	-71.45	405.57	5.02	-66.43
C[NH+](C)C(C)(C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772409	0	54	0.0	-78.83	378.64	4.07	-74.76
C[N@@H+]1CCCCC1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772435	0	55	0.0	-73.27	392.90	4.66	-68.61
C[N@H+]1CC=C(CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030772459	0	56	0.0	-72.44	410.65	5.36	-67.08
C[N@@H+]1CC=C(CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030772459	1	56	0.0	-72.44	410.65	5.36	-67.08
O=C(C=CC[NH+]1CCCC1)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772499	0	56	0.0	-77.31	411.80	5.39	-71.92
O=C(CC[NH+]1CCCC1)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772532	0	55	0.0	-76.69	398.20	4.70	-71.99
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCN1CC2	REAL300030772556	0	55	0.0	-81.79	387.76	1.48	-80.31
C[N@@H+]1CC2CC1(C(=O)NC[C@H]1C[C@H]3CC[C@@H](C1)N3C(=O)C1=CC(=O)[N-]O1)C2	REAL300030772561	0	53	0.0	-78.49	381.05	4.49	-74.00
O=C(C[N@@H+]1CC2CCC1C2)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772568	0	56	0.0	-74.85	397.44	5.15	-69.70
O=C(C[N@H+]1CC2CCC1C2)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772568	1	56	0.0	-74.85	397.44	5.15	-69.70
O=C(CN1CC2C=CC1C2)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772608	0	54	0.0	-73.27	389.91	4.91	-68.36
O=C(C[N@@H+]1CC2C=CC1C2)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772608	1	54	0.0	-75.13	389.95	5.02	-70.11
O=C(C[N@H+]1CC2C=CC1C2)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772608	1	54	0.0	-75.13	389.95	5.02	-70.11
CC(C[NH+](C)C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772640	0	54	0.0	-76.49	389.84	4.30	-72.19
C[N@@H+]1CCCCC1CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772690	0	58	0.0	-70.25	402.66	5.13	-65.12
C[N@H+]1CCCCC1CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772690	1	58	0.0	-70.25	402.66	5.13	-65.12
CC(C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)N1CC(C)C1	REAL300030772700	0	55	0.0	-70.07	398.34	4.76	-65.31
CC(C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300030772700	1	55	0.0	-70.07	398.34	4.76	-65.31
CC1CCN1CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772702	0	52	0.0	-74.35	376.74	3.86	-70.49
CC1CC[N@@H+]1CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772702	1	52	0.0	-70.96	377.00	3.89	-67.07
CC1CC[N@H+]1CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772702	1	52	0.0	-70.96	377.00	3.89	-67.07
C[NH+](C)CC(O)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772705	0	55	0.0	-79.56	403.60	2.07	-77.49
CC1CN(C)CC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)O1	REAL300030772725	0	56	0.0	-73.10	402.66	4.10	-69.00
CC1C[N@H+](C)CC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)O1	REAL300030772725	1	56	0.0	-82.48	402.23	3.82	-78.66
CC1C[N@@H+](C)CC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)O1	REAL300030772725	1	56	0.0	-82.48	402.23	3.82	-78.66
C[NH+](C)[C@H]1C[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030772772	0	55	0.0	-75.76	400.62	4.79	-70.97
CC(CC[NH+](C)C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772778	0	57	0.0	-75.91	410.94	4.94	-70.97
CN1CCN(CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030772797	0	57	0.0	-74.74	409.91	2.58	-72.16
C[NH+]1CCN(CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030772797	1	57	0.0	-74.74	409.91	2.58	-72.16
NC(=[NH2+])SCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772821	0	46	0.0	-77.38	359.43	-0.06	-77.44
C[NH+](C)CCC1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030772850	0	58	0.0	-77.88	425.14	5.56	-72.32
C[N@@H+]1CC=CCC1CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772851	0	56	0.0	-70.83	397.03	5.02	-65.81
C[N@H+]1CC=CCC1CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772851	1	56	0.0	-70.77	397.08	5.07	-65.70
C[C@@H](OCC[NH+](C)C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772864	0	58	0.0	-69.90	426.63	4.77	-65.13
CCC1CN(CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030772950	0	55	0.0	-77.56	403.55	4.93	-72.63
CCC1C[NH+](CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C1	REAL300030772950	1	55	0.0	-77.56	403.55	4.93	-72.63
C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772955	0	52	0.0	-72.60	371.34	3.64	-68.96
O=C(CC[N@H+]1CCC(F)C1)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772961	0	55	0.0	-75.36	405.48	4.86	-70.50
CC1C(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030772980	0	55	0.0	-74.37	392.10	4.26	-70.11
CC1C(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030772980	1	55	0.0	-74.37	392.10	4.26	-70.11
CN1CCOCC1CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030773009	0	56	0.0	-73.48	393.95	2.71	-70.77
C[N@@H+]1CCOCC1CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030773009	1	56	0.0	-73.46	394.02	2.74	-70.72
C[N@H+]1CCOCC1CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030773009	1	56	0.0	-73.46	394.02	2.74	-70.72
C[N@@H+]1CCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030773180	0	52	0.0	-70.38	375.09	3.94	-66.44
C[N@H+]1CCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030773180	1	52	0.0	-70.38	375.09	3.94	-66.44
O=C(CCN1CCOCC1)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030773359	0	56	0.0	-78.91	409.76	3.20	-75.71
O=C(CC[NH+]1CCOCC1)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030773359	1	56	0.0	-78.91	409.76	3.20	-75.71
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2)C1=CC(=O)[N-]O1	REAL300030773371	0	56	0.0	-67.85	389.77	4.45	-63.40
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC2=CN=CN2C=C1)C1=CC(=O)[N-]O1	REAL300030773377	0	50	0.0	-71.95	389.28	6.58	-65.37
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC(=O)[N-]O1	REAL300030773377	1	50	0.0	-71.95	389.28	6.58	-65.37
C[N@@H+]1CCC(CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030773408	0	55	0.0	-75.74	400.56	4.82	-70.92
C[N@H+]1CCC(CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030773408	1	55	0.0	-75.74	400.56	4.82	-70.92
CCC(C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030773416	0	54	0.0	-71.65	382.09	4.16	-67.49
C[NH+](C)CCCCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030773454	0	57	0.0	-76.60	419.64	5.33	-71.27
CC(C)C(C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030773470	0	57	0.0	-65.36	396.94	4.63	-60.73
CCC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030773471	0	57	0.0	-76.88	415.87	5.16	-71.72
CCC[N@@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030773471	1	57	0.0	-76.88	415.87	5.16	-71.72
CCC[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030773475	0	54	0.0	-73.94	393.51	4.59	-69.35
CCC[N@@H+](C)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030773475	1	54	0.0	-73.94	393.51	4.59	-69.35
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CC[N@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300030773490	0	56	0.0	-75.20	386.90	4.01	-71.19
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CC[N@@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300030773490	1	56	0.0	-75.20	386.90	4.01	-71.19
CC1CC[NH+](CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030773523	0	58	0.0	-68.19	416.83	5.65	-62.54
C[NH+](C)CC1(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030773564	0	55	0.0	-76.46	401.23	4.69	-71.77
CC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030773583	0	54	0.0	-76.08	394.37	4.41	-71.67
CC[N@@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030773583	1	54	0.0	-76.08	394.37	4.41	-71.67
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1C[NH+]2CCC1CC2)C1=CC(=O)[N-]O1	REAL300030773601	0	56	0.0	-82.09	389.44	4.59	-77.50
C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030773650	0	55	0.0	-80.21	392.38	4.47	-75.74
CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030773666	0	57	0.0	-66.32	399.33	4.60	-61.72
C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)CCC1	REAL300030773747	0	55	0.0	-72.92	382.28	4.05	-68.87
CCC(C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](CC)CC	REAL300030773775	0	60	0.0	-66.08	412.46	5.18	-60.90
CC1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030773786	0	55	0.0	-64.71	393.10	4.56	-60.15
CC1CCC[N@H+]1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030773786	1	55	0.0	-64.71	393.10	4.56	-60.15
CC(C)[N@@H+]1CCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030773832	0	58	0.0	-68.68	409.83	5.12	-63.56
CC(C)[N@H+]1CCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030773832	1	58	0.0	-68.68	409.83	5.12	-63.56
CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030773841	0	57	0.0	-72.97	400.12	4.60	-68.37
CC1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030773855	0	55	0.0	-67.14	399.75	4.86	-62.28
CC1CC[N@@H+](CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030773855	1	55	0.0	-73.04	400.77	4.90	-68.14
CC1(C)CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030773859	0	58	0.0	-73.21	419.74	5.41	-67.80
CC1(C)CC[N@@H+](CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030773859	1	58	0.0	-67.16	419.36	5.44	-61.72
C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300030773860	0	60	0.0	-73.83	423.31	5.61	-68.22
C[N@@H+](CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2)CC(C)(C)C	REAL300030773860	1	60	0.0	-73.52	424.64	5.75	-67.77
CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030773868	0	54	0.0	-69.84	380.99	4.09	-65.75
CC1=[NH+]C=CN1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030773989	1	50	0.0	-64.92	383.66	4.76	-60.16
CC[N@@H+]1CCOC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030774053	1	56	0.0	-71.80	395.22	3.81	-67.99
CC[N@H+]1CCOC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030774053	1	56	0.0	-77.90	395.52	3.81	-74.09
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC(=O)[N-]O1	REAL300030774083	0	50	0.0	-75.53	389.02	6.55	-68.98
CC1=C[NH+]=CN1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774086	1	50	0.0	-72.46	384.25	5.51	-66.95
C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030774093	0	55	0.0	-78.12	390.02	4.10	-74.02
C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030774093	1	55	0.0	-77.96	395.29	4.35	-73.61
CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030774095	0	58	0.0	-75.53	406.86	4.71	-70.82
CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030774095	1	58	0.0	-75.91	411.79	5.11	-70.80
CC1CCC(C)[NH+]1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774102	0	58	0.0	-65.54	402.27	4.70	-60.84
O=C(CCC[NH+]1CCCC1)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774105	0	58	0.0	-74.85	423.09	5.67	-69.18
O=C(CC[NH+]1CCCCC1)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774109	0	58	0.0	-75.41	418.28	5.62	-69.79
CC[N@@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774112	0	58	0.0	-64.37	402.32	4.85	-59.52
CC[N@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774112	1	58	0.0	-62.51	407.70	5.25	-57.26
C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300030774210	0	55	0.0	-71.43	400.37	5.14	-66.29
C[N@@H+](CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2)C1CCC1	REAL300030774210	1	55	0.0	-71.65	400.46	5.15	-66.50
C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030774241	0	55	0.0	-80.21	392.38	4.47	-75.74
C[N@@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774271	0	52	0.0	-74.08	372.98	3.68	-70.40
C[N@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774271	1	52	0.0	-70.21	371.98	3.84	-66.37
C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774289	1	54	0.0	-70.84	399.02	4.87	-65.97
C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774289	1	54	0.0	-65.75	402.71	5.27	-60.48
C[N@@H+]1CCCC1CCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774294	0	58	0.0	-73.63	415.73	5.20	-68.43
C[N@H+]1CCCC1CCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774294	1	58	0.0	-73.54	415.78	5.23	-68.31
C[N@@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774368	0	55	0.0	-68.08	387.72	4.51	-63.57
C[N@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774368	1	55	0.0	-70.57	380.85	4.19	-66.38
CC1C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)CC[N@@H+]1C	REAL300030774426	0	55	0.0	-75.61	390.88	4.30	-71.31
CC1C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)CC[N@H+]1C	REAL300030774426	1	55	0.0	-69.31	391.45	4.17	-65.14
CC(C)(C)[N@@H+]1CCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774482	0	58	0.0	-70.52	415.55	4.85	-65.67
CC(C)(C)[N@H+]1CCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774482	1	58	0.0	-64.38	415.94	4.81	-59.57
C[C@@H](C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030774496	0	51	0.0	-71.57	369.57	3.45	-68.12
C=CCC(C)(C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030774510	0	58	0.0	-62.57	399.21	4.67	-57.90
O=C(CC[NH+]1CCCC1)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774527	0	55	0.0	-75.51	402.62	4.93	-70.58
C[N@H+](CCO)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774536	1	52	0.0	-74.36	382.36	0.60	-73.76
C[N@@H+](CCO)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774536	1	52	0.0	-74.28	382.53	0.64	-73.64
C[N@H+]1CC=C(CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030774594	0	56	0.0	-72.25	413.41	5.53	-66.72
C[N@@H+]1CC=C(CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030774594	1	56	0.0	-70.47	413.43	5.53	-64.94
C[S+](C)CCC(O)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774604	0	54	0.0	-73.06	413.16	2.47	-70.59
C[N@@H+]1CC(O)CC1(C)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774617	0	56	0.0	-65.79	393.97	0.62	-65.17
C[N@H+]1CC(O)CC1(C)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774617	1	56	0.0	-66.92	393.68	0.62	-66.30
CC1C[NH+](CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030774647	1	52	0.0	-74.47	384.32	4.32	-70.15
CC[N@@H+]1CCCC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030774653	0	58	0.0	-76.08	403.67	5.10	-70.98
CC[N@H+]1CCCC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030774653	1	58	0.0	-67.01	403.66	5.24	-61.77
NC1=[NH+]C=CC=C1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774657	0	51	0.0	-65.06	388.51	3.00	-62.06
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC[N@@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300030774665	0	56	0.0	-68.57	405.49	5.38	-63.19
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC[N@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300030774665	1	56	0.0	-68.52	400.79	5.29	-63.23
O=C(C=CC[NH+]1CCCC1)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774695	0	56	0.0	-77.16	413.95	5.50	-71.66
CC[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774740	0	51	0.0	-73.61	372.28	3.84	-69.77
O=C(CN1CC2C=CC1C2)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774775	0	54	0.0	-69.63	393.89	4.97	-64.66
O=C(C[N@@H+]1CC2C=CC1C2)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774775	1	54	0.0	-71.83	393.65	5.14	-66.69
O=C(C[N@H+]1CC2C=CC1C2)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774775	1	54	0.0	-71.83	393.65	5.14	-66.69
CC(OCC[NH+](C)C)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774862	0	58	0.0	-74.03	423.60	4.65	-69.38
C[NH+](C)CCOCCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774869	0	58	0.0	-73.79	430.99	4.02	-69.77
COCC[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774871	1	55	0.0	-74.09	404.78	3.05	-71.04
COCC[N@@H+](C)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774871	1	55	0.0	-74.74	404.89	3.01	-71.73
CC(CCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030774874	0	57	0.0	-79.25	406.77	4.96	-74.29
C[NH+]1CCC(=CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030774884	0	56	0.0	-73.30	406.58	5.22	-68.08
CC[N@H+](CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030774890	0	55	0.0	-69.95	403.00	5.19	-64.76
CC[N@@H+](CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030774890	1	55	0.0	-65.37	400.25	5.20	-60.17
C[N@@H+]1CC2CC1(C(=O)N1[C@@H]3CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030774917	0	53	0.0	-67.25	378.95	4.27	-62.98
C[N@H+]1CC2CC1(C(=O)N1[C@@H]3CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C3)C2	REAL300030774917	1	53	0.0	-68.44	375.04	4.09	-64.35
O=C(C[N@@H+]1CC2CCC1C2)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774926	0	56	0.0	-65.22	398.43	5.04	-60.18
O=C(C[N@H+]1CC2CCC1C2)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774926	1	56	0.0	-71.62	400.89	5.26	-66.36
CC(C[NH+](C)C)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774941	0	54	0.0	-75.35	386.44	4.05	-71.30
C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030774952	0	52	0.0	-75.63	373.43	3.49	-72.14
C[C@H](C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030774973	0	51	0.0	-66.18	369.15	3.47	-62.71
CC[N@@H+]1CCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774978	0	52	0.0	-67.31	386.02	4.18	-63.13
CC[N@H+]1CCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774978	1	52	0.0	-70.74	377.20	3.81	-66.93
CCC(C)(C)[NH2+]C(C)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774989	0	60	0.0	-64.57	411.44	3.40	-61.17
CNC1=[NH+]C(C)=CC=C1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775016	1	54	0.0	-67.07	398.31	3.74	-63.33
NC1=CC=[NH+]C=C1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775017	0	48	0.0	-74.85	359.01	1.04	-73.81
CCCC(C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030775025	0	57	0.0	-70.52	402.89	4.77	-65.75
C[NH+](C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775030	0	54	0.0	-73.79	373.33	3.46	-70.33
CC(CC[NH+](C)C)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775044	0	57	0.0	-75.06	408.09	4.68	-70.38
C[N@@H+]1CC(C)(C)CC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775106	0	58	0.0	-72.17	412.96	4.82	-67.35
C[N@H+]1CC(C)(C)CC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775106	1	58	0.0	-72.14	413.23	4.75	-67.39
C[NH+](C)CCCCCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775108	0	60	0.0	-75.51	441.14	6.12	-69.39
C[NH+]1CCN(CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030775115	1	57	0.0	-73.75	413.61	2.67	-71.08
CC1C[N@H+](C)CC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030775168	1	56	0.0	-76.80	399.46	4.08	-72.72
CC1C[N@@H+](C)CC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)O1	REAL300030775168	1	56	0.0	-76.76	399.60	4.08	-72.68
O=C(C[NH+]1CC2CC2C1)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775199	0	53	0.0	-73.94	389.78	5.05	-68.89
C[N@@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775226	0	55	0.0	-68.08	387.72	4.51	-63.57
C[N@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775226	1	55	0.0	-70.57	380.85	4.19	-66.38
C[N@@H+]1CCC(=CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030775300	0	53	0.0	-72.31	391.14	4.75	-67.56
C[N@H+]1CCC(=CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030775300	1	53	0.0	-77.41	391.81	4.70	-72.71
O=C(CNC1=CC=[NH+]C=C1)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775303	0	51	0.0	-74.15	389.98	2.45	-71.70
C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)CCCC1	REAL300030775366	0	58	0.0	-75.38	392.41	4.53	-70.85
CCC1C[NH+](CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030775375	0	55	0.0	-74.82	406.91	5.06	-69.76
C[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775385	0	52	0.0	-64.55	376.49	3.95	-60.60
C[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775385	1	52	0.0	-72.35	372.87	3.68	-68.67
NC1=CC=C(CCC(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C=[NH+]1	REAL300030775429	0	54	0.0	-73.16	413.45	3.71	-69.45
C[NH+](C)[C@H]1C[C@H](C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030775480	0	55	0.0	-68.85	403.98	4.91	-63.94
C[NH+](C)CCC1(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030775489	0	58	0.0	-76.61	425.25	5.56	-71.05
C[N@@H+]1CC=CCC1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775490	0	56	0.0	-62.55	400.92	5.21	-57.34
C[N@H+]1CC=CCC1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775490	1	56	0.0	-66.43	400.45	5.19	-61.24
C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775526	0	55	0.0	-69.05	409.99	4.28	-64.77
[NH2+]=C1SC=CN1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775554	0	48	0.0	-64.01	381.33	3.36	-60.65
C[C@@H](OCC[NH+](C)C)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775596	0	58	0.0	-72.52	426.41	4.71	-67.81
C[N@@H+]1CCCC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030775626	0	55	0.0	-70.08	386.99	4.46	-65.62
C[N@H+]1CCCC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030775626	1	55	0.0	-70.08	386.99	4.46	-65.62
O=C(C[NH+]1CCCCCC1)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775627	0	58	0.0	-72.93	405.41	5.22	-67.71
CN1C=C[N+](CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030775631	0	50	0.0	-71.37	386.11	6.67	-64.70
C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030775656	0	52	0.0	-70.42	383.52	4.59	-65.83
O=C(CC[N@H+]1CCC(F)C1)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775659	0	55	0.0	-80.48	408.32	4.96	-75.52
CC(CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300030775680	0	57	0.0	-76.21	411.47	5.21	-71.00
CN1CCOCC1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775699	0	56	0.0	-80.98	404.53	3.05	-77.93
C[N@@H+]1CCOCC1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775699	1	56	0.0	-66.25	397.72	2.89	-63.36
C[N@H+]1CCOCC1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775699	1	56	0.0	-66.25	397.72	2.89	-63.36
CC1=CC(N)=NC=C1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775739	0	51	0.0	-74.78	379.53	2.32	-72.46
CC1=CC(N)=[NH+]C=C1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775739	1	51	0.0	-74.78	379.53	2.32	-72.46
CC1(O)CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030775769	0	56	0.0	-72.43	410.27	1.60	-70.83
C[NH+]1CC(CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030775797	0	52	0.0	-75.65	385.78	4.02	-71.63
C[N@H+](CCO)CCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775827	0	55	0.0	-74.95	404.51	1.22	-73.73
C[N@@H+](CCO)CCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775827	1	55	0.0	-74.95	404.51	1.22	-73.73
C[N@@H+]1CCCCC1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775845	0	58	0.0	-70.39	413.28	5.45	-64.94
C[N@H+]1CCCCC1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775845	1	58	0.0	-70.39	413.28	5.45	-64.94
CC(C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CC(C)C1	REAL300030775858	0	55	0.0	-65.12	396.74	4.44	-60.68
CC1CC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775860	0	52	0.0	-72.24	385.92	4.27	-67.97
CC1CC[N@H+]1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775860	1	52	0.0	-72.81	385.58	4.25	-68.56
C[NH+](C)CC=CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775868	0	52	0.0	-78.67	390.16	4.42	-74.25
CC1(C)C[NH+](CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030775874	1	55	0.0	-74.02	405.08	4.74	-69.28
C[NH+](C)CCSCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775896	0	55	0.0	-73.16	421.15	5.17	-67.99
O=C(C[N@H+]1CCCC1CO)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775915	0	56	0.0	-72.74	407.39	1.77	-70.97
O=C(C[N@@H+]1CCCC1CO)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775915	1	56	0.0	-73.19	409.02	1.85	-71.34
CC[NH+](CC)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775919	0	54	0.0	-71.91	385.70	4.25	-67.66
O=C(C[NH+]1CCC1)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775928	1	49	0.0	-74.13	364.72	3.65	-70.48
CC[NH+](CC)CCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775959	0	57	0.0	-74.97	411.91	5.07	-69.90
CC(C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300030776018	0	52	0.0	-72.43	372.30	3.46	-68.97
CCC(CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2)C[NH+](C)C	REAL300030776023	0	60	0.0	-76.55	425.08	5.71	-70.84
NC1=CC=C(C=CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C=[NH+]1	REAL300030776028	0	52	0.0	-76.26	400.34	3.40	-72.86
C[NH+](C)CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030776029	0	57	0.0	-74.10	393.33	4.32	-69.78
C[N@@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030776066	0	55	0.0	-75.57	383.58	4.35	-71.22
C[N@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030776066	1	55	0.0	-63.73	389.73	4.59	-59.14
C[NH+](C)CC(O)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030776090	0	55	0.0	-79.58	406.80	2.24	-77.34
C=CCC(C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030776112	0	55	0.0	-69.02	391.65	4.50	-64.52
C[NH+]1CCC(C)(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)CC1	REAL300030776125	0	58	0.0	-71.53	401.63	4.64	-66.89
C[NH+](C)CCSCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030776188	0	55	0.0	-79.51	417.81	4.99	-74.52
C[N@@H+]1CCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030776351	0	51	0.0	-73.15	385.16	3.34	-69.81
C[N@H+]1CCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030776351	1	51	0.0	-73.67	385.75	3.44	-70.23
C[N@@H+]1CCOC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030776375	1	52	0.0	-81.80	389.68	2.67	-79.13
C[N@H+]1CCOC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030776375	1	52	0.0	-81.74	389.89	2.64	-79.10
CC(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+]1CCCCCC1	REAL300030776536	0	60	0.0	-73.15	428.49	4.85	-68.30
CC(C)[N@@H+]1CCCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030776538	0	60	0.0	-70.36	432.49	4.88	-65.48
CC(C)[N@H+]1CCCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030776538	1	60	0.0	-71.27	426.65	4.91	-66.36
CC(C)[N@@H+]1CCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030776559	0	57	0.0	-74.22	412.43	4.65	-69.57
CC(C)[N@H+]1CCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030776559	1	57	0.0	-74.21	412.46	4.61	-69.60
CC1(C)C(CNC(=O)C2CC3CCCC[N@@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030776575	0	58	0.0	-77.93	427.18	5.08	-72.85
CC1(C)C(CNC(=O)C2CC3CCCC[N@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030776575	1	58	0.0	-78.16	426.95	5.07	-73.09
CC(C)C1=[NH+]C=CN1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030776596	1	55	0.0	-71.75	425.12	5.11	-66.64
CC1=[NH+]C=CN1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030776626	1	49	0.0	-73.03	388.90	3.99	-69.04
CC(C[NH+]1CCOCC1)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030776627	0	58	0.0	-78.41	430.81	3.12	-75.29
CC1(C)C(CNC(=O)CCC[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030776643	0	60	0.0	-76.63	444.51	5.57	-71.06
CC(C)(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+]1CCCCC1	REAL300030776661	0	60	0.0	-76.72	428.83	5.35	-71.37
CC1(C)C(CNC(=O)C2C[NH+]3CCC2CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030776669	0	55	0.0	-82.66	400.69	4.18	-78.48
CC1(C)C(CNC(=O)C2CCCC3CCC[N@@H+]32)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030776710	0	58	0.0	-72.54	415.78	4.90	-67.64
CC1(C)C(CNC(=O)C2CCCC3CCC[N@H+]32)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030776710	1	58	0.0	-70.40	424.23	5.18	-65.22
C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC[N@@H+]1C	REAL300030776724	0	54	0.0	-77.15	396.98	3.58	-73.57
C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC[N@H+]1C	REAL300030776724	1	54	0.0	-76.60	401.71	3.85	-72.75
CC[C@@H]1[C@@H](C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC[N@@H+]1C	REAL300030776728	0	57	0.0	-76.94	416.42	4.07	-72.87
CC[C@@H]1[C@@H](C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC[N@H+]1C	REAL300030776728	1	57	0.0	-75.91	420.08	4.64	-71.27
CC[N@@H+]1CCOC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030776738	1	55	0.0	-78.76	407.74	3.28	-75.48
CC[N@H+]1CCOC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030776738	1	55	0.0	-78.43	407.52	3.32	-75.11
CC[NH+](CC)CC(F)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030776779	0	56	0.0	-79.33	416.61	4.00	-75.33
CC1CCC(C)[NH+]1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030776842	0	57	0.0	-72.91	416.50	4.26	-68.65
CC1(C)C(CNC(=O)CCC[NH+]2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030776848	0	57	0.0	-76.40	429.29	4.92	-71.48
C#CC[NH+]1CCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300030776853	0	56	0.0	-81.01	428.71	5.19	-75.82
CC1(C)C(CNC(=O)CC[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030776854	0	57	0.0	-77.20	423.01	4.78	-72.42
CC[N@@H+]1CCCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030776860	0	57	0.0	-72.92	410.00	4.43	-68.49
CC[N@H+]1CCCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030776860	1	57	0.0	-72.15	419.45	4.59	-67.56
CC(C)C[N@@H+]1CCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030776874	0	60	0.0	-76.87	445.62	5.32	-71.55
CC(C)C[N@H+]1CCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030776874	1	60	0.0	-76.08	443.92	5.37	-70.71
C[NH+](C)C1(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CCC1	REAL300030776878	0	54	0.0	-71.88	392.97	3.99	-67.89
CC(C)[N@@H+]1CCCC1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030776880	0	60	0.0	-70.20	431.20	4.44	-65.76
CC(C)[N@H+]1CCCC1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030776880	1	60	0.0	-74.51	438.80	5.01	-69.50
CC(C)[C@@H](C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](C)C	REAL300030776893	0	56	0.0	-74.55	405.72	4.88	-69.67
C[N@H+](CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)C1CCC1	REAL300030776934	0	54	0.0	-74.72	405.69	4.36	-70.36
C[N@@H+](CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)C1CCC1	REAL300030776934	1	54	0.0	-75.01	405.59	4.36	-70.65
CC(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+]1C(C)CCC1C	REAL300030776993	0	60	0.0	-70.59	428.78	4.85	-65.74
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030777052	1	53	0.0	-74.68	406.31	4.11	-70.57
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030777052	1	53	0.0	-74.55	412.22	4.64	-69.91
C[N@@H+]1CCCC1CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030777058	0	57	0.0	-79.16	426.85	4.88	-74.28
C[N@H+]1CCCC1CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030777058	1	57	0.0	-75.35	421.42	4.41	-70.94
CC1(C)C(CNC(=O)C23CCC[NH+](CCC2)C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030777067	0	58	0.0	-76.08	416.86	4.58	-71.50
CC1(C)C(CNC(=O)C2CCC3CCCC[N@@H+]32)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030777070	0	58	0.0	-71.34	427.30	5.33	-66.01
CC1(C)C(CNC(=O)C2CCC3CCCC[N@H+]32)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030777070	1	58	0.0	-71.51	427.52	5.26	-66.25
CC1(C)C(CNC(=O)CCCC[NH+]2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030777086	0	60	0.0	-76.57	450.81	5.70	-70.87
C[NH+]1CCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300030777097	0	54	0.0	-80.44	404.03	4.03	-76.41
C[NH+](C)CC1=CC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)=NO1	REAL300030777132	1	53	0.0	-82.01	418.59	3.41	-78.60
CC1=C(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C=CC2=C[NH+]=CN21	REAL300030777133	0	52	0.0	-75.71	403.55	6.23	-69.48
C[N@@H+]1CCCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030777164	0	54	0.0	-74.63	392.31	3.75	-70.88
C[N@H+]1CCCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030777164	1	54	0.0	-74.18	392.32	3.76	-70.42
CC(C)C[N@@H+]1CCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030777186	0	60	0.0	-73.27	444.62	5.50	-67.77
CC(C)C[N@H+]1CCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030777186	1	60	0.0	-73.56	444.27	5.55	-68.01
CC1(C)C(CNC(=O)C2=CN3C=[NH+]C=C3C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030777286	0	49	0.0	-76.77	389.63	5.87	-70.90
CC1=[NH+]C=CN1CCCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030777294	1	55	0.0	-73.32	430.44	5.29	-68.03
CC1(C)C(CNC(=O)CC[NH+]2CCOCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030777299	1	55	0.0	-80.46	414.74	2.39	-78.07
CC1=C[NH+]=CN1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030777329	1	49	0.0	-76.10	389.23	4.71	-71.39
CC1(C)C(CNC(=O)C23CCC[NH+]2CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030777368	0	55	0.0	-77.94	404.13	4.38	-73.56
C[NH+](C)C1CCCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030777392	0	60	0.0	-70.51	431.71	5.04	-65.47
C[N@@H+]1CCC(CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030777395	0	54	0.0	-78.82	406.06	3.92	-74.90
C[N@H+]1CCC(CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030777395	1	54	0.0	-78.77	406.12	3.93	-74.84
CN(C)C1=CC=[NH+]C=C1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030777407	0	53	0.0	-84.03	410.19	3.18	-80.85
CCC(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](C)C	REAL300030777412	0	53	0.0	-73.46	389.71	3.40	-70.06
C[NH+](C)C1(CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CCCC1	REAL300030777424	0	60	0.0	-78.90	423.27	4.82	-74.08
CC1(C)C(CNC(=O)C2=CC3=C[NH+]=CN3C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030777465	1	49	0.0	-81.03	389.86	5.89	-75.14
C[NH+](C)CCCCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030777519	0	56	0.0	-77.84	424.84	4.52	-73.32
CC(C)C(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](C)C	REAL300030777539	0	56	0.0	-73.99	406.85	4.61	-69.38
CCC[N@H+](C)CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030777541	0	56	0.0	-78.47	421.06	4.34	-74.13
CCC[N@@H+](C)CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030777541	1	56	0.0	-78.43	421.02	4.34	-74.09
CCC[N@H+](C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030777546	0	53	0.0	-77.02	398.70	3.80	-73.22
CCC[N@@H+](C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030777546	1	53	0.0	-77.02	398.70	3.79	-73.23
CC1(C)C(CNC(=O)C23CC[N@H+](C2)CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030777569	0	55	0.0	-77.39	401.66	3.54	-73.85
CC1(C)C(CNC(=O)C23CC[N@@H+](C2)CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030777569	1	55	0.0	-76.97	401.99	3.54	-73.43
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030777605	0	51	0.0	-75.43	379.45	2.91	-72.52
C[N@H+]1CCC[C@@H]1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030777605	1	51	0.0	-72.98	385.35	3.30	-69.68
CCCCCC[N@H+](C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030777662	0	62	0.0	-78.18	463.20	6.14	-72.04
CCCCCC[N@@H+](C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030777662	1	62	0.0	-78.30	463.19	6.13	-72.17
CC[NH+](CC)C(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)C(C)C	REAL300030777666	0	62	0.0	-70.74	440.69	5.58	-65.16
CC[NH+](CC)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030777675	0	53	0.0	-75.26	395.57	3.74	-71.52
CCC[N@@H+]1CCCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030777707	0	60	0.0	-70.52	436.94	5.60	-64.92
CCC[N@H+]1CCCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030777707	1	60	0.0	-70.01	437.16	5.57	-64.44
CC(C)[N@@H+]1CCOC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030777722	0	58	0.0	-76.95	424.48	3.82	-73.13
CC(C)[N@H+]1CCOC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030777722	1	58	0.0	-83.96	431.45	3.99	-79.97
CC1CC[NH+](CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300030777751	0	57	0.0	-77.40	422.38	4.88	-72.52
C[NH+]1CCC(OCC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300030777777	0	58	0.0	-81.66	439.38	4.47	-77.19
C[NH+](C)CC1(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300030777788	0	54	0.0	-81.83	405.01	4.10	-77.73
CC(C)[NH+]1CCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300030777861	0	60	0.0	-77.89	438.35	5.22	-72.67
C[NH+]1CCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300030777879	0	54	0.0	-80.44	404.03	4.03	-76.41
CC(C)[C@H](C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](C)C	REAL300030777897	0	56	0.0	-74.30	408.52	4.64	-69.66
CCC(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](CC)CC	REAL300030777928	0	59	0.0	-70.24	422.95	4.84	-65.40
CC[N@H+](C)CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030777984	0	53	0.0	-77.75	399.52	3.58	-74.17
CC[N@@H+](C)CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030777984	1	53	0.0	-77.64	399.56	3.60	-74.04
CC1CCC[N@@H+]1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030778040	0	54	0.0	-73.60	398.29	3.74	-69.86
CC1CCC[N@H+]1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030778040	1	54	0.0	-73.63	398.40	3.71	-69.92
CC1CC[N@H+](CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030778042	0	54	0.0	-76.17	405.06	4.00	-72.17
CC1CC[N@@H+](CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030778042	1	54	0.0	-76.03	405.02	4.03	-72.00
CC1(C)CC[N@H+](CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030778046	0	57	0.0	-76.28	424.67	4.60	-71.68
CC1(C)CC[N@@H+](CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030778046	1	57	0.0	-76.45	424.73	4.62	-71.83
C[N@H+](CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)CC(C)(C)C	REAL300030778047	0	59	0.0	-76.54	429.10	4.88	-71.66
C[N@@H+](CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)CC(C)(C)C	REAL300030778047	1	59	0.0	-76.53	429.61	4.94	-71.59
CC[C@@H](C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](C)C	REAL300030778055	0	53	0.0	-74.14	390.10	3.38	-70.76
C[NH+]1CCC(O)(CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300030778212	0	58	0.0	-76.97	429.98	2.70	-74.27
C[NH+](C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030778224	0	47	0.0	-77.21	359.47	2.38	-74.83
CC1(C)C(CNC(=O)C[NH+]2CCC(CO)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778228	1	58	0.0	-78.57	433.26	1.56	-77.01
CC1(C)C(CNC(=O)C[NH+]2CCCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778229	0	57	0.0	-76.16	410.55	4.44	-71.72
CN1C=C[N+](CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)=C1	REAL300030778233	0	49	0.0	-74.57	390.70	5.89	-68.68
C[N@@H+]1CCCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030778240	0	54	0.0	-76.69	404.05	4.00	-72.69
C[N@H+]1CCCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030778240	1	54	0.0	-70.07	397.95	4.15	-65.92
CC1(C)C(CNC(=O)C2CCC[N@@H+]2C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778245	0	55	0.0	-71.73	417.07	4.87	-66.86
CC1(C)C(CNC(=O)C2CCC[N@H+]2C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778245	1	55	0.0	-71.72	412.12	4.70	-67.02
CC(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+]1CCC1	REAL300030778272	1	51	0.0	-74.19	387.64	3.43	-70.76
CCC(CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)C[NH+](C)C	REAL300030778277	0	59	0.0	-71.86	434.71	5.00	-66.86
C[NH+](C)CC(C)(C)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030778284	0	56	0.0	-73.25	407.01	4.07	-69.18
CC1(C)C(CNC(=O)C23CC(C2)C[N@@H+]3C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778301	0	56	0.0	-74.84	413.49	4.91	-69.93
CC1(C)C(CNC(=O)C23CC(C2)C[N@H+]3C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778301	1	56	0.0	-76.75	417.51	5.69	-71.06
CC1(C)C(CNC(=O)C[NH+]2CCC(O)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778309	1	55	0.0	-81.68	412.62	0.92	-80.76
C[N@H+](CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)C1CC1	REAL300030778310	0	51	0.0	-73.96	388.69	3.78	-70.18
C[N@@H+](CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)C1CC1	REAL300030778310	1	51	0.0	-74.66	388.83	3.79	-70.87
CC(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)N1CC[NH+](C)CC1	REAL300030778311	1	59	0.0	-75.12	430.37	2.19	-72.93
C[NH+]1CC(CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030778329	0	51	0.0	-76.57	390.91	3.21	-73.36
CC1(C)C(CNC(=O)C2CC[N@@H+]2C2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778333	0	58	0.0	-76.87	432.10	5.32	-71.55
CC1(C)C(CNC(=O)C2CC[N@H+]2C2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778333	1	58	0.0	-76.91	430.20	5.13	-71.78
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030778341	0	57	0.0	-74.66	403.47	3.91	-70.75
CC(C)(C)[N@H+]1CCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030778341	1	57	0.0	-73.29	420.85	4.03	-69.26
C[C@@H](C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](C)C	REAL300030778352	0	50	0.0	-75.46	377.58	2.77	-72.69
CCC1CCC[N@H+](CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030778391	0	60	0.0	-77.29	440.64	5.45	-71.84
CCC1CCC[N@@H+](CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030778391	1	60	0.0	-77.25	440.55	5.46	-71.79
C[NH+](C)CC1=CC=C(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)N1	REAL300030778398	0	55	0.0	-85.92	426.09	3.79	-82.13
CC1(C)C(CNC(=O)CN2C=CSC2=[NH2+])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778439	0	47	0.0	-72.56	386.54	2.56	-70.00
C[N@H+](CCO)CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030778449	0	54	0.0	-77.32	409.87	0.37	-76.95
C[N@@H+](CCO)CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030778449	1	54	0.0	-77.24	409.90	0.36	-76.88
C[C@@H](C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](C)C	REAL300030778450	0	50	0.0	-75.46	377.58	2.77	-72.69
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030778454	0	54	0.0	-74.57	392.11	3.80	-70.77
C[N@H+]1CCCC[C@@H]1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030778454	1	54	0.0	-74.01	401.63	3.93	-70.08
CC1CN2CC[N@@H+]1CC2C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030778462	0	57	0.0	-80.64	412.35	1.37	-79.27
CC1CN2CC[N@H+]1CC2C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030778462	1	57	0.0	-80.96	410.56	1.25	-79.71
CC1(C)C(CNC(=O)CC2=CC3=C[NH+]=CN3C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778504	0	52	0.0	-74.91	413.88	6.57	-68.34
C[N@H+](CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)C1CCSC1	REAL300030778527	0	55	0.0	-82.42	418.77	4.62	-77.80
C[N@@H+](CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)C1CCSC1	REAL300030778527	1	55	0.0	-83.36	418.76	4.60	-78.76
CC1(C)C(CNC(=O)C[NH+]2CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778528	1	48	0.0	-76.90	369.57	2.81	-74.09
C[N@@H+]1CCC(=CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030778558	0	52	0.0	-79.10	397.57	3.91	-75.19
C[N@H+]1CCC(=CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030778558	1	52	0.0	-79.16	397.55	3.93	-75.23
C[NH+](C)CCOCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030778591	0	54	0.0	-76.20	415.34	3.44	-72.76
CCCCC[N@H+](C)CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030778597	0	62	0.0	-79.44	464.06	5.90	-73.54
CCCCC[N@@H+](C)CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030778597	1	62	0.0	-79.35	464.01	5.90	-73.45
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)O1	REAL300030778606	0	58	0.0	-76.76	438.45	4.34	-72.42
C=CCC(C)(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](C)C	REAL300030778613	0	57	0.0	-71.20	414.85	4.45	-66.75
C[S+](C)CCC(O)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030778618	0	53	0.0	-82.20	424.32	2.05	-80.15
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030778643	0	55	0.0	-82.45	407.27	0.66	-81.79
CN1CC[N@H+](C)CC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030778653	0	59	0.0	-73.72	430.34	2.14	-71.58
CN1CC[N@@H+](C)CC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030778653	1	59	0.0	-73.72	430.34	2.14	-71.58
CC(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[N@@H+]1CCCC(O)C1	REAL300030778654	0	58	0.0	-75.75	428.62	1.45	-74.30
CC1(C)C(CNC(=O)CN2CCC(CO)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778663	0	58	0.0	-78.57	433.26	1.56	-77.01
CC1(C)C(CNC(=O)C[NH+]2CCC(CO)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778663	1	58	0.0	-78.57	433.26	1.56	-77.01
C[N@@H+]1CCCC(O)(CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030778672	0	58	0.0	-75.81	417.31	2.61	-73.20
C[N@H+]1CCCC(O)(CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030778672	1	58	0.0	-75.81	417.31	2.61	-73.20
CC1CN(CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030778675	0	51	0.0	-77.39	389.55	3.54	-73.85
CC1C[NH+](CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030778675	1	51	0.0	-77.39	389.55	3.54	-73.85
CN(CCO)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030778701	0	51	0.0	-77.64	387.55	-0.19	-77.83
C[N@H+](CCO)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030778701	1	51	0.0	-77.32	387.34	-0.19	-77.51
C[N@@H+](CCO)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030778701	1	51	0.0	-77.32	387.34	-0.19	-77.51
CC1(C)C(CNC(=O)C2C[N@@H+]3CCN2CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778723	0	57	0.0	-86.31	406.41	2.15	-84.16
CC1(C)C(CNC(=O)C2C[N@H+]3CCN2CCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778723	1	57	0.0	-86.31	406.41	2.15	-84.16
CC[N@@H+]1CCCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030778729	0	57	0.0	-75.06	421.91	4.62	-70.44
CC[N@H+]1CCCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030778729	1	57	0.0	-75.06	421.91	4.62	-70.44
CC(CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)C[NH+](C)C	REAL300030778731	0	56	0.0	-77.34	416.77	4.39	-72.95
CC[N@H+](C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030778742	0	50	0.0	-76.61	377.20	3.04	-73.57
CC1(C)C(CNC(=O)C23CCC[N@@H+]2CCCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778766	0	58	0.0	-71.01	413.98	4.92	-66.09
CC1(C)C(CNC(=O)C23CCC[N@H+]2CCCC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778766	1	58	0.0	-71.01	413.98	4.92	-66.09
CC1(C)C(CNC(=O)C23CCC[N@@H+]2CC=CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778771	0	56	0.0	-75.21	406.28	4.84	-70.37
CC1(C)C(CNC(=O)C23CCC[N@H+]2CC=CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778771	1	56	0.0	-75.21	406.28	4.84	-70.37
CC[N@H+](CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)C1CC1	REAL300030778791	0	54	0.0	-74.04	405.52	4.40	-69.64
CC[NH+](CC)CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030778807	0	56	0.0	-77.15	413.07	4.02	-73.13
CC1(C)CN(CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030778830	0	54	0.0	-77.05	410.05	4.01	-73.04
CC1(C)C[NH+](CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030778830	1	54	0.0	-77.05	410.05	4.01	-73.04
CC1(O)CC[N@H+](CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030778855	0	55	0.0	-77.15	415.88	0.78	-76.37
CC1(O)CC[N@@H+](CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030778855	1	55	0.0	-76.12	415.33	0.77	-75.35
C[NH+](C)CC=CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030778862	0	51	0.0	-80.23	396.70	3.62	-76.61
CC(OCC[NH+](C)C)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030778883	0	57	0.0	-74.72	435.13	4.13	-70.59
C[NH+](C)CCOCCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030778891	0	57	0.0	-75.57	436.30	3.17	-72.40
COCC[N@H+](C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030778892	1	54	0.0	-77.19	409.59	2.21	-74.98
COCC[N@@H+](C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030778892	1	54	0.0	-77.88	409.80	2.21	-75.67
C[NH+](C)C1(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CCCC1	REAL300030778925	0	57	0.0	-81.18	408.63	4.79	-76.39
CC(CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](C)C	REAL300030778928	0	56	0.0	-75.67	416.76	4.10	-71.57
CC[N@@H+]1CCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030778935	1	51	0.0	-74.98	383.24	3.24	-71.74
CC[N@H+]1CCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030778935	1	51	0.0	-75.84	391.08	3.41	-72.43
CC(C)[N@@H+]1CCCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030778945	0	60	0.0	-69.66	432.29	5.34	-64.32
CC(C)[N@H+]1CCCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030778945	1	60	0.0	-73.87	438.31	5.16	-68.71
CC1(C)C(CNC(=O)C[N@@H+]2CCCC2CO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778958	0	55	0.0	-76.32	409.10	0.45	-75.87
CC1(C)C(CNC(=O)C[N@H+]2CCCC2CO)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778958	1	55	0.0	-76.32	409.10	0.44	-75.88
CC1(C)C(CNC(=O)C2CC3CCCC[N@@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778980	0	58	0.0	-77.93	427.18	5.08	-72.85
CC1(C)C(CNC(=O)C2CC3CCCC[N@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778980	1	58	0.0	-78.16	426.95	5.07	-73.09
C[NH+]1CCC(C)(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300030778986	0	57	0.0	-73.80	416.72	4.46	-69.34
C[NH+](C)CC1=CNC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)=C1	REAL300030778992	0	55	0.0	-79.77	425.84	3.64	-76.13
CC(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+]1CCC(O)CC1	REAL300030779006	0	58	0.0	-78.16	430.34	1.28	-76.88
C=CCC(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](C)C	REAL300030779014	0	54	0.0	-73.04	402.52	3.83	-69.21
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030779024	0	57	0.0	-74.97	419.60	4.05	-70.92
C[N@H+]1CC(C)(C)CC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030779024	1	57	0.0	-76.15	419.76	3.99	-72.16
C[NH+](C)CCCCCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030779028	0	59	0.0	-76.97	446.33	5.31	-71.66
CC1(C)C(CNC(=O)C[NH+]2CC3CC3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030779036	0	52	0.0	-77.00	394.80	4.26	-72.74
CC1C[N@@H+]2CCN1C(C(=O)NCC1CCN(C(=O)C3=CC(=O)[N-]O3)C1(C)C)C2	REAL300030779062	0	57	0.0	-74.91	404.50	2.00	-72.91
CC1C[N@H+]2CCN1C(C(=O)NCC1CCN(C(=O)C3=CC(=O)[N-]O3)C1(C)C)C2	REAL300030779062	1	57	0.0	-83.10	412.55	1.39	-81.71
CCCC(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](C)C	REAL300030779063	0	56	0.0	-74.91	414.73	4.74	-70.17
C[NH+](C)C(C)(C)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030779067	0	53	0.0	-80.03	386.71	3.56	-76.47
C[N@@H+]1CCCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030779105	0	54	0.0	-74.63	392.31	3.75	-70.88
C[N@H+]1CCCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030779105	1	54	0.0	-74.18	392.32	3.76	-70.42
C[N@H+]1CC=C(CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300030779138	0	55	0.0	-74.77	418.75	4.71	-70.06
C[N@@H+]1CC=C(CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300030779138	1	55	0.0	-73.19	418.77	4.71	-68.48
CC1(C)C(CNC(=O)CC2([NH+]3CCCC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030779147	0	58	0.0	-73.18	424.55	5.12	-68.06
C[NH+](C)CC1=CC=C(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)O1	REAL300030779191	1	54	0.0	-81.95	423.98	4.19	-77.76
CC1(C)C(CNC(=O)C=CC[NH+]2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030779207	0	55	0.0	-79.08	421.73	4.79	-74.29
CC1(C)C(CNC(=O)C2CC[NH+](C3CC3)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030779228	0	58	0.0	-77.28	428.88	5.24	-72.04
C[NH+](C)C1(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300030779247	0	51	0.0	-80.52	382.62	3.60	-76.92
CC1(C)C(CNC(=O)CC[NH+]2CCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030779249	0	54	0.0	-77.21	407.75	4.11	-73.10
CC1(C)C(CNC(=O)C2C[NH+]3CCN2CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030779283	0	54	0.0	-83.92	395.86	0.87	-83.05
C[N@@H+]1CC2CC1(C(=O)NCC1CCN(C(=O)C3=CC(=O)[N-]O3)C1(C)C)C2	REAL300030779293	0	52	0.0	-79.26	391.72	3.56	-75.70
C[N@H+]1CC2CC1(C(=O)NCC1CCN(C(=O)C3=CC(=O)[N-]O3)C1(C)C)C2	REAL300030779293	1	52	0.0	-79.38	389.72	3.66	-75.72
CC1(C)C(CNC(=O)C[N@@H+]2CC3CCC2C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030779305	0	55	0.0	-74.96	406.40	4.46	-70.50
CC1(C)C(CNC(=O)C[N@H+]2CC3CCC2C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030779305	1	55	0.0	-74.87	405.88	4.47	-70.40
CC1(C)C(CNC(=O)C=C2C[NH+]3CCC2CC3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030779346	0	56	0.0	-71.95	415.62	4.77	-67.18
CC1(C)C(CNC(=O)C[N@@H+]2CC3C=CC2C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030779356	1	53	0.0	-73.11	398.29	4.24	-68.87
CC1(C)C(CNC(=O)C[N@H+]2CC3C=CC2C3)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030779356	1	53	0.0	-73.17	398.82	4.20	-68.97
CC[NH+]1CCN(CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300030779387	0	59	0.0	-74.99	435.70	2.53	-72.46
CC(C[NH+](C)C)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030779404	0	53	0.0	-72.23	397.67	3.73	-68.50
C[N@@H+]1CCCCC1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030779474	0	57	0.0	-70.63	411.20	4.45	-66.18
C[N@H+]1CCCCC1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030779474	1	57	0.0	-70.62	411.26	4.44	-66.18
CC1=C2C=C(C(=O)NCC3CCN(C(=O)C4=CC(=O)[N-]O4)C3(C)C)C=CN2C=[NH+]1	REAL300030779490	1	52	0.0	-79.11	411.82	6.45	-72.66
CC(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+]1CC(C)C1	REAL300030779491	1	54	0.0	-73.83	408.67	4.07	-69.76
CC1CC[N@@H+]1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030779494	1	51	0.0	-74.71	385.42	3.17	-71.54
CC1CC[N@H+]1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030779494	1	51	0.0	-75.62	390.99	3.42	-72.20
C[NH+](C)CC(O)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030779498	0	54	0.0	-80.59	411.96	1.42	-79.17
CC1C[N@H+](C)CC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)O1	REAL300030779525	1	55	0.0	-82.25	411.14	3.38	-78.87
CC1C[N@@H+](C)CC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)O1	REAL300030779525	1	55	0.0	-87.44	418.04	3.56	-83.88
CC1(C)C(CNC(=O)CC[NH+]2CCC(O)CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030779534	0	58	0.0	-80.82	434.56	1.46	-79.36
CCC[N@@H+]1CCCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030779536	0	60	0.0	-73.42	431.29	5.20	-68.22
CCC[N@H+]1CCCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030779536	1	60	0.0	-72.70	440.95	5.33	-67.37
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030779606	0	54	0.0	-76.15	409.41	4.06	-72.09
CC(CC[NH+](C)C)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030779614	0	56	0.0	-76.92	419.51	4.27	-72.65
C[N@H+](CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[C@@H]1CCC[C@H]1O	REAL300030779634	0	58	0.0	-72.51	430.13	1.76	-70.75
C[N@@H+](CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[C@@H]1CCC[C@H]1O	REAL300030779634	1	58	0.0	-75.83	430.55	1.58	-74.25
C#CC[N@H+]1CCCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030779640	1	56	0.0	-74.15	417.47	4.98	-69.17
C#CC[N@@H+]1CCCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030779640	1	56	0.0	-74.28	426.94	5.15	-69.13
C[NH+]1CCN(CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300030779643	1	56	0.0	-76.14	418.46	1.90	-74.24
CC[NH+]1CCN(CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300030779652	0	59	0.0	-74.99	435.70	2.53	-72.46
CC1(C)C(CNC(=O)CSC(N)=[NH2+])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030779676	0	45	0.0	-78.47	367.40	-0.67	-79.14
CC[N@@H+]1CCOCC1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030779711	0	58	0.0	-80.25	427.49	2.83	-77.42
C[NH+](C)C1CCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300030779726	0	60	0.0	-73.87	431.76	5.05	-68.82
C[NH+](C)CCC1(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300030779727	0	57	0.0	-80.42	435.19	4.93	-75.49
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300030779729	0	60	0.0	-73.95	431.86	5.05	-68.90
C[N@@H+]1CC=CCC1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030779730	0	55	0.0	-71.23	405.57	4.37	-66.86
C[N@H+]1CC=CCC1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030779730	1	55	0.0	-71.23	405.57	4.37	-66.86
C[C@@H](OCC[NH+](C)C)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030779751	0	57	0.0	-73.48	435.13	4.14	-69.34
C[NH+]1C2CCC1CC(C(=O)NCC1CCN(C(=O)C3=CC(=O)[N-]O3)C1(C)C)C2	REAL300030779777	0	58	0.0	-76.13	402.14	4.87	-71.26
CC(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+]1CCSCC1	REAL300030779883	1	55	0.0	-78.11	414.79	4.23	-73.88
CCC1C[NH+](CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030779885	1	54	0.0	-77.76	412.10	4.24	-73.52
CC1(C)C(CNC(=O)C2([NH+]3CCCC3)CCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030779887	0	58	0.0	-77.39	417.75	5.05	-72.34
C[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030779896	0	51	0.0	-73.22	385.38	3.29	-69.93
C[N@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030779896	1	51	0.0	-76.47	379.44	2.92	-73.55
CC1(C)C(CNC(=O)CC[N@@H+]2CCC(F)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030779903	0	54	0.0	-82.11	413.62	4.10	-78.01
CC1(C)C(CNC(=O)CC[N@H+]2CCC(F)C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030779903	1	54	0.0	-82.32	413.83	4.16	-78.16
COC1C[N@H+](C)C(C)(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030779911	0	58	0.0	-82.11	429.23	3.04	-79.07
COC1C[N@@H+](C)C(C)(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030779911	1	58	0.0	-80.12	429.87	2.77	-77.35
CC1(C)C(CNC(=O)CC[NH+]2CCCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030779919	0	60	0.0	-79.14	433.64	5.04	-74.10
CC1(C)C(CNC(=O)C[NH+]2CCCCC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030779921	0	54	0.0	-76.55	401.19	4.25	-72.30
CC1C(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC[N@@H+]1C	REAL300030779931	0	54	0.0	-78.12	397.02	3.59	-74.53
CC1C(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)CC[N@H+]1C	REAL300030779931	1	54	0.0	-78.06	397.28	3.52	-74.54
C[N@@H+]1CCCCC1CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030779933	0	60	0.0	-75.05	440.73	5.24	-69.81
C[N@H+]1CCCCC1CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030779933	1	60	0.0	-74.54	440.77	5.31	-69.23
CC1(C)C(CNC(=O)C2CC[N@@H+]3CCOCC23)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030779961	0	56	0.0	-74.40	414.67	2.63	-71.77
CC1(C)C(CNC(=O)C2CC[N@H+]3CCOCC23)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030779961	1	56	0.0	-76.05	416.02	2.51	-73.54
CC1=[NH+]C=C2C=CC(C(=O)NCC3CCN(C(=O)C4=CC(=O)[N-]O4)C3(C)C)=CN21	REAL300030779966	0	52	0.0	-73.22	411.06	5.65	-67.57
C[N@@H+]1CCOCC1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030779980	1	55	0.0	-73.97	402.57	2.05	-71.92
C[N@H+]1CCOCC1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030779980	1	55	0.0	-72.63	402.61	2.07	-70.56
CC1=C(C)[NH+]=C(CCC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)N1	REAL300030779988	1	55	0.0	-71.56	429.66	3.67	-67.89
C[N@@H+]1CCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030780158	0	51	0.0	-66.49	383.68	3.18	-63.31
C[N@H+]1CCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030780158	1	51	0.0	-67.21	386.16	3.33	-63.88
CC1=[NH+]C=CN1CCCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030780342	1	55	0.0	-68.31	433.38	5.41	-62.90
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCOCC1	REAL300030780347	1	55	0.0	-74.44	417.67	2.51	-71.93
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300030780372	1	49	0.0	-75.09	397.67	5.91	-69.18
C[NH+](C)C1CCCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030780418	0	60	0.0	-65.79	430.37	4.85	-60.94
C[N@@H+]1CCC(CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030780421	0	54	0.0	-72.62	409.63	4.04	-68.58
C[N@H+]1CCC(CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030780421	1	54	0.0	-72.77	408.45	4.05	-68.72
CCC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](C)C	REAL300030780436	0	53	0.0	-68.77	391.34	3.52	-65.25
C[NH+](C)CCCCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030780492	0	56	0.0	-72.89	427.77	4.63	-68.26
CCC[N@H+](C)CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030780512	0	56	0.0	-72.67	424.14	4.44	-68.23
CCC[N@@H+](C)CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030780512	1	56	0.0	-72.70	424.14	4.42	-68.28
CCC[N@H+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030780516	0	53	0.0	-70.07	401.84	3.84	-66.23
CCC[N@@H+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030780516	1	53	0.0	-70.10	401.83	3.83	-66.27
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C12CC[N@H+](C1)CCC2	REAL300030780534	0	55	0.0	-71.89	395.61	3.26	-68.63
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300030780534	1	55	0.0	-74.96	394.65	3.23	-71.73
CCCCCC[N@H+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030780559	0	62	0.0	-71.34	466.27	6.20	-65.14
CCCCCC[N@@H+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030780559	1	62	0.0	-71.33	466.32	6.18	-65.15
CC1CC[NH+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300030780592	0	57	0.0	-70.32	425.89	4.93	-65.39
C[NH+]1CCC(OCC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300030780613	0	58	0.0	-76.85	442.36	4.54	-72.31
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCCC[N@@H+]2C1	REAL300030780648	0	58	0.0	-68.99	426.67	5.00	-63.99
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCCC[N@H+]2C1	REAL300030780648	1	58	0.0	-73.13	427.94	5.06	-68.07
C[NH+](C)CC1(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300030780658	0	54	0.0	-72.55	410.03	4.01	-68.54
CC(C)[NH+]1CCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300030780668	0	60	0.0	-72.63	436.91	5.06	-67.57
CC[N@H+](C)CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030780687	0	53	0.0	-71.96	402.71	3.66	-68.30
CC[N@@H+](C)CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030780687	1	53	0.0	-71.97	402.64	3.68	-68.29
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[NH+]2CCC1CC2	REAL300030780715	0	55	0.0	-74.71	399.23	4.02	-70.69
C[NH+]1CCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300030780779	0	54	0.0	-73.92	406.08	4.00	-69.92
CC[NH+](CC)CC(F)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030780861	0	56	0.0	-70.58	424.13	4.45	-66.13
CC(C)C[N@@H+]1CCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030780885	0	60	0.0	-70.94	443.76	5.29	-65.65
CC(C)C[N@H+]1CCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030780885	1	60	0.0	-69.68	442.38	5.28	-64.40
CCC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](CC)CC	REAL300030780910	0	59	0.0	-63.72	423.43	4.68	-59.04
CC1CCC[N@@H+]1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030780926	0	54	0.0	-67.10	407.68	4.26	-62.84
CC1CCC[N@H+]1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030780926	1	54	0.0	-66.58	401.29	3.79	-62.79
CC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+]1CCCCCC1	REAL300030780974	0	60	0.0	-65.98	431.21	4.83	-61.15
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030780993	0	57	0.0	-65.35	418.93	4.39	-60.96
CC(C)[N@H+]1CCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030780993	1	57	0.0	-65.49	418.67	4.36	-61.13
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030780998	0	60	0.0	-68.56	440.20	5.10	-63.46
CC(C)[N@H+]1CCCC1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030780998	1	60	0.0	-69.00	444.76	5.12	-63.88
CC1CC[N@H+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030781025	0	54	0.0	-69.14	408.77	4.16	-64.98
CC1CC[N@@H+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030781025	1	54	0.0	-69.18	408.62	4.17	-65.01
CC1(C)CC[N@H+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030781028	0	57	0.0	-69.08	427.57	4.71	-64.37
CC1(C)CC[N@@H+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030781028	1	57	0.0	-69.15	427.81	4.72	-64.43
C[N@H+](CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C)CC(C)(C)C	REAL300030781029	0	59	0.0	-69.88	430.45	4.83	-65.05
C[N@@H+](CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C)CC(C)(C)C	REAL300030781029	1	59	0.0	-69.68	432.74	4.99	-64.69
CC[C@@H](C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](C)C	REAL300030781036	0	53	0.0	-66.58	391.48	3.44	-63.14
CC1=[NH+]C=CN1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030781211	1	49	0.0	-66.48	392.04	4.03	-62.45
CC(C[NH+]1CCOCC1)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030781212	1	58	0.0	-73.76	434.77	3.10	-70.66
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC[NH+]1CCCCC1	REAL300030781225	0	60	0.0	-71.38	447.63	5.67	-65.71
C[NH+](C)CC1=CC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)=NO1	REAL300030781235	1	53	0.0	-78.05	418.58	3.74	-74.31
CC1=C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)C=CC2=C[NH+]=CN21	REAL300030781236	0	52	0.0	-71.68	412.31	6.23	-65.45
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030781268	1	55	0.0	-65.14	428.26	5.15	-59.99
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300030781296	0	58	0.0	-63.03	422.30	5.00	-58.03
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCCC2CCC[N@H+]21	REAL300030781296	1	58	0.0	-67.94	418.77	4.86	-63.08
CC[N@@H+]1CCOC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030781310	1	55	0.0	-77.84	414.02	3.30	-74.54
CC[N@H+]1CCOC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030781310	1	55	0.0	-77.82	413.81	3.35	-74.47
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300030781348	0	49	0.0	-71.42	389.12	5.57	-65.85
CC1=C[NH+]=CN1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030781353	1	49	0.0	-69.22	391.26	4.74	-64.48
C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC[N@@H+]1C	REAL300030781365	0	54	0.0	-72.42	398.70	3.73	-68.69
C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC[N@H+]1C	REAL300030781365	1	54	0.0	-71.52	403.09	4.03	-67.49
CC[C@@H]1[C@@H](C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC[N@@H+]1C	REAL300030781368	0	57	0.0	-72.28	416.71	3.95	-68.33
CC[C@@H]1[C@@H](C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC[N@H+]1C	REAL300030781368	1	57	0.0	-72.16	421.57	4.42	-67.74
CC1CCC(C)[NH+]1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030781376	0	57	0.0	-66.14	420.00	4.46	-61.68
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC[NH+]1CCCC1	REAL300030781382	0	57	0.0	-71.01	432.24	5.04	-65.97
C#CC[NH+]1CCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300030781387	0	56	0.0	-75.77	427.27	5.03	-70.74
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCCCC1	REAL300030781388	0	57	0.0	-71.33	426.08	4.87	-66.46
C[NH+](C)C1(CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)CCCC1	REAL300030781423	0	60	0.0	-72.79	426.23	4.95	-67.84
C[N@H+](CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C)C1CCC1	REAL300030781538	0	54	0.0	-67.73	408.71	4.41	-63.32
C[N@@H+](CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C)C1CCC1	REAL300030781538	1	54	0.0	-68.13	408.83	4.41	-63.72
CC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+]1C(C)CCC1C	REAL300030781555	0	60	0.0	-63.46	430.62	4.71	-58.75
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCC[NH+]1CCCC1	REAL300030781567	0	60	0.0	-71.54	453.73	5.82	-65.72
C[NH+]1CCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300030781578	0	54	0.0	-73.92	406.08	4.00	-69.92
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030781609	0	51	0.0	-68.31	381.11	2.93	-65.38
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030781609	1	51	0.0	-66.53	383.70	3.20	-63.33
C[N@@H+]1CCCC1CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030781634	0	57	0.0	-72.88	429.85	5.00	-67.88
C[N@H+]1CCCC1CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030781634	1	57	0.0	-69.85	424.34	4.53	-65.32
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300030781643	0	58	0.0	-66.11	422.61	4.89	-61.22
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC2CCCC[N@H+]21	REAL300030781643	1	58	0.0	-64.70	426.36	5.22	-59.48
CCC[N@@H+]1CCCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030781699	0	60	0.0	-70.10	441.95	5.20	-64.90
CCC[N@H+]1CCCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030781699	1	60	0.0	-70.89	445.52	5.31	-65.58
CC(C)[N@@H+]1CCOC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030781710	1	58	0.0	-75.74	430.74	3.81	-71.93
CC(C)[N@H+]1CCOC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030781710	1	58	0.0	-75.78	430.49	3.85	-71.93
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCC(CO)CC1	REAL300030781759	0	58	0.0	-71.50	436.65	1.61	-69.89
CC1C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC[N@@H+]1C	REAL300030781799	0	54	0.0	-74.66	398.17	3.40	-71.26
CC1C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC[N@H+]1C	REAL300030781799	1	54	0.0	-70.58	404.01	4.00	-66.58
C[N@@H+]1CCCCC1CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030781801	0	60	0.0	-69.79	443.66	5.39	-64.40
C[N@H+]1CCCCC1CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030781801	1	60	0.0	-73.37	436.54	5.20	-68.17
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=C(CCC2)[NH+]=C1N	REAL300030781827	1	54	0.0	-62.20	414.97	3.18	-59.02
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030781871	0	57	0.0	-68.07	401.53	3.48	-64.59
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030781871	1	57	0.0	-66.05	407.85	3.55	-62.50
C[C@@H](C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](C)C	REAL300030781888	0	50	0.0	-68.08	379.06	2.84	-65.24
C=CCC(C)(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](C)C	REAL300030781905	0	57	0.0	-63.36	407.71	3.96	-59.40
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCCC1	REAL300030781927	0	54	0.0	-71.42	410.94	4.19	-67.23
C[N@H+](CCO)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030781936	1	51	0.0	-70.76	390.68	-0.15	-70.91
C[N@@H+](CCO)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030781936	1	51	0.0	-70.31	390.48	-0.14	-70.45
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@@H+]2CCN1CCC2	REAL300030781969	0	57	0.0	-76.93	409.44	1.70	-75.23
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1C[N@H+]2CCN1CCC2	REAL300030781969	1	57	0.0	-77.93	405.13	1.86	-76.07
CC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+]1CCSCC1	REAL300030781987	1	55	0.0	-70.48	413.47	4.12	-66.36
C[N@H+]1CC=C(CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300030782015	0	55	0.0	-69.75	421.66	4.79	-64.96
C[N@@H+]1CC=C(CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300030782015	1	55	0.0	-68.16	421.76	4.79	-63.37
C[S+](C)CCC(O)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030782027	0	53	0.0	-76.67	422.91	1.81	-74.86
CN1CC[N@H+](C)CC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030782052	0	59	0.0	-69.78	434.17	2.37	-67.41
CN1CC[N@@H+](C)CC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030782052	1	59	0.0	-67.96	429.47	1.87	-66.09
CC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C)[N@@H+]1CCCC(O)C1	REAL300030782053	0	58	0.0	-66.86	432.13	1.32	-65.54
CC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C)[N@H+]1CCCC(O)C1	REAL300030782053	1	58	0.0	-67.81	429.91	1.56	-66.25
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030782084	0	58	0.0	-66.02	422.86	2.50	-63.52
C[N@H+]1CCCC(O)(CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030782084	1	58	0.0	-65.39	432.33	2.76	-62.63
CC1C[NH+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030782088	1	51	0.0	-70.34	392.49	3.63	-66.71
CC[N@@H+]1CCCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030782093	0	57	0.0	-69.51	420.39	4.45	-65.06
CC[N@H+]1CCCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030782093	1	57	0.0	-69.52	420.43	4.43	-65.09
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC=C[NH+]=C1N	REAL300030782099	0	50	0.0	-66.84	396.79	2.26	-64.58
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@@H+]1C1CC1	REAL300030782109	0	55	0.0	-65.04	417.28	4.83	-60.21
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CCC[N@H+]1C1CC1	REAL300030782109	1	55	0.0	-65.06	411.02	4.62	-60.44
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=CC[NH+]1CCCC1	REAL300030782147	0	55	0.0	-73.39	423.77	4.88	-68.51
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300030782166	0	58	0.0	-72.63	427.45	5.08	-67.55
CC[N@H+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030782198	0	50	0.0	-69.78	380.33	3.09	-66.69
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1CC2C=CC1C2	REAL300030782242	0	53	0.0	-67.75	402.06	4.46	-63.29
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CC2C=CC1C2	REAL300030782242	1	53	0.0	-68.13	402.05	4.43	-63.70
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+]1CC2C=CC1C2	REAL300030782242	1	53	0.0	-68.13	402.05	4.43	-63.70
CC(OCC[NH+](C)C)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030782359	0	57	0.0	-70.99	433.54	3.94	-67.05
C[NH+](C)CCOCCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030782368	0	57	0.0	-70.47	439.23	3.29	-67.18
COCCN(C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030782370	0	54	0.0	-70.08	412.72	2.26	-67.82
COCC[N@H+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030782370	1	54	0.0	-70.96	412.93	2.25	-68.71
COCC[N@@H+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030782370	1	54	0.0	-70.96	412.93	2.25	-68.71
CC(CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](C)C	REAL300030782375	0	56	0.0	-74.16	415.75	4.24	-69.92
CC[N@H+](CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C)C1CC1	REAL300030782397	0	54	0.0	-66.96	408.76	4.45	-62.51
CC1C[N@@H+]2CCN1C(C(=O)N1CCC(CNC(=O)C3=CC(=O)[N-]O3)C1(C)C)C2	REAL300030782407	0	57	0.0	-77.76	412.45	1.19	-76.57
CC1=NC(N)=CC=C1C=CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030782433	0	54	0.0	-69.90	426.43	3.15	-66.75
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030782433	1	54	0.0	-69.90	426.43	3.15	-66.75
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@@H+]1CC2CCC1C2	REAL300030782439	0	55	0.0	-67.03	406.48	4.34	-62.69
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+]1CC2CCC1C2	REAL300030782439	1	55	0.0	-67.03	406.48	4.34	-62.69
CC(C[NH+](C)C)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030782456	0	53	0.0	-71.63	396.48	3.47	-68.16
CC[N@@H+]1CCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030782496	0	51	0.0	-69.09	393.28	3.41	-65.68
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030782506	0	60	0.0	-68.47	437.09	4.96	-63.51
CC(C)[N@H+]1CCCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030782506	1	60	0.0	-68.47	437.09	4.96	-63.51
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030782517	0	59	0.0	-68.14	425.88	3.06	-65.08
C#CCN1CCCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030782555	0	56	0.0	-66.68	416.36	4.75	-61.93
C#CC[N@H+]1CCCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030782555	1	56	0.0	-65.83	428.43	5.19	-60.64
C#CC[N@@H+]1CCCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030782555	1	56	0.0	-65.83	428.43	5.19	-60.64
CNC1=NC(C)=CC=C1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030782556	0	53	0.0	-64.21	411.62	3.12	-61.09
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030782556	1	53	0.0	-64.21	411.62	3.12	-61.09
CCCC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](C)C	REAL300030782566	0	56	0.0	-67.31	413.02	4.22	-63.09
CC(CC[NH+](C)C)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030782587	0	56	0.0	-73.21	423.53	4.24	-68.97
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030782677	0	57	0.0	-68.39	420.96	4.15	-64.24
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030782677	1	57	0.0	-68.39	420.96	4.15	-64.24
C[NH+](C)CCCCCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030782682	0	59	0.0	-72.28	449.26	5.42	-66.86
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCC(O)CC1	REAL300030782686	0	58	0.0	-75.17	437.25	1.51	-73.66
CCC[N@@H+]1CCCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030782689	0	60	0.0	-65.48	442.49	5.37	-60.11
CCC[N@H+]1CCCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030782689	1	60	0.0	-65.48	442.49	5.37	-60.11
CN1CCN(CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300030782697	0	56	0.0	-70.30	421.37	1.98	-68.32
C[NH+]1CCN(CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300030782697	1	56	0.0	-70.30	421.37	1.98	-68.32
CC1CN(C)CC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)O1	REAL300030782781	0	55	0.0	-80.53	417.34	3.37	-77.16
CC1C[N@H+](C)CC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)O1	REAL300030782781	1	55	0.0	-81.03	410.09	2.97	-78.06
CC1C[N@@H+](C)CC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)O1	REAL300030782781	1	55	0.0	-81.03	410.09	2.97	-78.06
CCC1CCC[N@H+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030782811	0	60	0.0	-69.81	443.33	5.60	-64.21
CCC1CCC[N@@H+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030782811	1	60	0.0	-69.81	443.33	5.60	-64.21
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CC2CC2C1	REAL300030782833	0	52	0.0	-69.88	397.93	4.29	-65.59
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1([NH+]2CCCC2)CC1	REAL300030782846	0	58	0.0	-67.06	427.51	5.26	-61.80
C[N@@H+]1CCCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030782877	0	54	0.0	-66.71	403.04	3.98	-62.73
C[N@H+]1CCCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030782877	1	54	0.0	-70.27	394.87	3.68	-66.59
C[N@@H+]1CCC(=CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030782969	0	52	0.0	-73.98	400.32	4.02	-69.96
C[N@H+]1CCC(=CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030782969	1	52	0.0	-73.91	400.49	4.00	-69.91
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CNC1=CC=[NH+]C=C1	REAL300030782974	0	50	0.0	-70.43	398.30	1.72	-68.71
CC[NH+]1CCN(CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300030783020	0	59	0.0	-68.80	439.15	2.65	-66.15
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=C1C[NH+]2CCC1CC2	REAL300030783021	0	56	0.0	-67.11	417.82	4.82	-62.29
C[N@H+](CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C)[C@@H]1CCC[C@H]1O	REAL300030783058	0	58	0.0	-65.49	432.94	1.88	-63.61
C[N@@H+](CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C)[C@@H]1CCC[C@H]1O	REAL300030783058	1	58	0.0	-68.58	433.57	1.66	-66.92
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030783074	0	51	0.0	-67.05	385.82	3.34	-63.71
C[N@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030783074	1	51	0.0	-68.16	381.08	2.99	-65.17
CCN1CCOCC1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030783099	0	58	0.0	-74.03	430.38	2.92	-71.11
CC[N@@H+]1CCOCC1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030783099	1	58	0.0	-73.70	430.86	2.99	-70.71
CC[N@H+]1CCOCC1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030783099	1	58	0.0	-73.70	430.86	2.99	-70.71
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C2NC(N)=NC2=C1	REAL300030783166	0	51	0.0	-72.74	403.10	3.32	-69.42
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C2NC(N)=[NH+]C2=C1	REAL300030783166	1	51	0.0	-72.74	403.10	3.32	-69.42
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030783195	0	54	0.0	-70.85	411.75	4.16	-66.69
C[NH+](C)C1CCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300030783208	0	60	0.0	-75.45	436.90	5.02	-70.43
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300030783210	0	60	0.0	-68.55	430.58	4.85	-63.70
C[N@@H+]1CC=CCC1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030783211	0	55	0.0	-64.53	408.67	4.49	-60.04
C[N@H+]1CC=CCC1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030783211	1	55	0.0	-64.53	408.67	4.49	-60.04
CC1=CC(C=CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)=CN=C1N	REAL300030783256	0	54	0.0	-72.91	426.84	3.40	-69.51
CC1=CC(C=CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)=C[NH+]=C1N	REAL300030783256	1	54	0.0	-72.91	426.84	3.40	-69.51
C[NH+](C)CCOCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030783267	0	54	0.0	-70.72	418.28	3.50	-67.22
CCCCC[N@H+](C)CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030783273	0	62	0.0	-73.70	467.14	5.99	-67.71
CCCCC[N@@H+](C)CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030783273	1	62	0.0	-73.70	467.14	5.99	-67.71
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)O1	REAL300030783283	0	58	0.0	-72.23	438.12	4.49	-67.74
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1C=CSC1=[NH2+]	REAL300030783300	0	47	0.0	-65.91	389.67	2.61	-63.30
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030783358	0	57	0.0	-69.81	434.45	3.98	-65.83
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[NH+]1CCCCCC1	REAL300030783388	0	60	0.0	-73.25	436.63	5.08	-68.17
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCCCC1	REAL300030783392	0	54	0.0	-69.42	404.33	4.30	-65.12
C[N@@H+]1CCCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030783394	0	54	0.0	-63.82	397.60	4.09	-59.73
C[N@H+]1CCCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030783394	1	54	0.0	-72.58	397.21	3.81	-68.77
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCC(CO)CC1	REAL300030783395	0	58	0.0	-71.50	436.65	1.61	-69.89
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCCCCC1	REAL300030783396	0	57	0.0	-69.05	413.69	4.48	-64.57
CN1C=C[N+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)=C1	REAL300030783401	0	49	0.0	-67.53	393.84	5.95	-61.58
C[NH+](C)CC1=CC=C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)O1	REAL300030783414	1	54	0.0	-78.02	423.96	4.34	-73.68
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCC(O)CC1	REAL300030783427	0	55	0.0	-73.86	416.07	0.96	-72.90
C[N@@H+](CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C)C1CC1	REAL300030783432	1	51	0.0	-67.10	391.85	3.85	-63.25
CC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C)N1CC[NH+](C)CC1	REAL300030783434	1	59	0.0	-70.45	432.34	2.13	-68.32
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC[N@H+]1CCC(F)C1	REAL300030783436	1	54	0.0	-73.16	416.70	4.30	-68.86
CC(CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C)C[NH+](C)C	REAL300030783460	0	56	0.0	-72.01	419.70	4.51	-67.50
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@@H+]2CCOCC12	REAL300030783475	0	56	0.0	-67.92	415.06	2.72	-65.20
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@H+]2CCOCC12	REAL300030783475	1	56	0.0	-73.86	417.59	2.63	-71.23
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(CNC(=O)C4=CC(=O)[N-]O4)C3(C)C)=CN21	REAL300030783480	0	52	0.0	-67.77	410.51	5.34	-62.43
CN1CCOCC1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030783494	0	55	0.0	-76.11	413.44	2.34	-73.77
C[N@@H+]1CCOCC1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030783494	1	55	0.0	-67.44	405.70	2.12	-65.32
C[N@H+]1CCOCC1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030783494	1	55	0.0	-76.11	413.44	2.34	-73.77
CC[NH+]1CCN(CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300030783500	0	59	0.0	-68.80	439.15	2.65	-66.15
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030783540	1	50	0.0	-71.97	391.36	1.71	-70.26
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1=CC=C(N)[NH+]=C1	REAL300030783543	0	53	0.0	-69.57	421.41	3.00	-66.57
CC1(O)CC[N@@H+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030783575	1	55	0.0	-70.48	419.12	0.85	-69.63
C[NH+]1CC(CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030783607	0	51	0.0	-71.01	393.85	3.32	-67.69
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@@H+]1C1CCCC1	REAL300030783612	0	58	0.0	-68.01	427.09	4.87	-63.14
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC[N@H+]1C1CCCC1	REAL300030783612	1	58	0.0	-70.21	432.58	5.22	-64.99
C[NH+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030783620	0	47	0.0	-70.44	362.40	2.47	-67.97
C[N@H+](CCO)CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030783646	0	54	0.0	-71.64	413.06	0.46	-71.18
C[N@@H+](CCO)CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030783646	1	54	0.0	-71.46	413.04	0.43	-71.03
C[C@@H](C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](C)C	REAL300030783647	0	50	0.0	-68.08	379.06	2.84	-65.24
C[N@@H+]1CCCCC1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030783663	0	57	0.0	-63.07	414.16	4.55	-58.52
C[N@H+]1CCCCC1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030783663	1	57	0.0	-63.26	414.36	4.51	-58.75
CC1=C2C=C(C(=O)N3CCC(CNC(=O)C4=CC(=O)[N-]O4)C3(C)C)C=CN2C=[NH+]1	REAL300030783680	1	52	0.0	-72.65	419.58	6.47	-66.18
CC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+]1CC(C)C1	REAL300030783681	0	54	0.0	-67.65	409.31	3.96	-63.69
CC1CC[N@H+]1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030783684	1	51	0.0	-68.73	393.91	3.53	-65.20
C[NH+](C)CC=CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030783694	0	51	0.0	-74.47	397.43	3.68	-70.79
CC1(C)C[NH+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)C1	REAL300030783706	1	54	0.0	-69.96	412.81	4.05	-65.91
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)N1	REAL300030783723	1	55	0.0	-65.70	432.63	3.79	-61.91
CC1=C2C=C(C(=O)N3CCC(CNC(=O)C4=CC(=O)[N-]O4)C3(C)C)C=CN2C=[NH+]1	REAL300030783733	1	52	0.0	-72.65	419.58	6.47	-66.18
C[NH+](C)CCSCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030783741	0	54	0.0	-75.90	429.30	4.46	-71.44
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N@H+]1CCCC1CO	REAL300030783764	1	55	0.0	-68.65	417.43	0.98	-67.67
CC[NH+](CC)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030783768	0	53	0.0	-68.14	398.81	3.83	-64.31
C[N@@H+](CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C)C1CCSC1	REAL300030783778	1	55	0.0	-75.59	421.75	4.70	-70.89
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+]1CCC1	REAL300030783780	1	48	0.0	-70.23	372.69	2.85	-67.38
CC[NH+](CC)CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030783816	0	56	0.0	-70.78	420.35	4.43	-66.35
C[NH+](C)CC1=CNC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)=C1	REAL300030783867	0	55	0.0	-75.20	423.92	3.99	-71.21
CC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+]1CCC(O)CC1	REAL300030783880	0	58	0.0	-71.55	431.58	1.31	-70.24
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2COCC[N@@H+]2C1	REAL300030783885	0	56	0.0	-72.40	417.74	2.62	-69.78
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2COCC[N@H+]2C1	REAL300030783885	1	56	0.0	-70.29	418.98	2.68	-67.61
CC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+]1CCC1	REAL300030783897	0	51	0.0	-69.79	383.13	3.12	-66.67
CCC(CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C)C[NH+](C)C	REAL300030783903	0	59	0.0	-72.30	433.43	4.99	-67.31
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=CC1=CC=C(N)[NH+]=C1	REAL300030783908	0	51	0.0	-73.71	408.82	2.69	-71.02
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030783955	0	54	0.0	-67.34	391.16	3.57	-63.77
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030783955	1	54	0.0	-66.89	403.10	3.96	-62.93
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030783967	0	57	0.0	-76.05	412.45	1.12	-74.93
CC1CN2CC[N@H+]1CC2C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030783967	1	57	0.0	-74.72	412.09	1.15	-73.57
C[NH+](C)CC(O)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030783987	0	54	0.0	-75.17	415.01	1.47	-73.70
C[NH+]1C2CCC1CC(C(=O)N1CCC(CNC(=O)C3=CC(=O)[N-]O3)C1(C)C)C2	REAL300030783990	0	58	0.0	-69.69	389.64	4.09	-65.60
C=CCC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1(C)C)[NH+](C)C	REAL300030784022	0	54	0.0	-65.78	404.79	3.90	-61.88
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCCC[N@@H+]2C1	REAL300030784029	0	58	0.0	-68.99	426.67	5.00	-63.99
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1CC2CCCC[N@H+]2C1	REAL300030784029	1	58	0.0	-73.13	427.94	5.06	-68.07
C[NH+]1CCC(O)(CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)CC1	REAL300030784038	0	58	0.0	-72.39	433.25	2.76	-69.63
CC1=C2C=C(C(=O)NCC3CCN(C(=O)C4=CC(=O)[N-]O4)C3(C)C)C=CN2C=[NH+]1	REAL300030784111	1	52	0.0	-79.11	411.82	6.45	-72.66
C[NH+](C)CCSCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1(C)C	REAL300030784120	0	54	0.0	-81.04	426.36	4.32	-76.72
CC1(C)C(CNC(=O)C2CC3COCC[N@@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030784128	0	56	0.0	-78.29	418.35	2.67	-75.62
CC1(C)C(CNC(=O)C2CC3COCC[N@H+]3C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030784128	1	56	0.0	-76.09	418.03	2.70	-73.39
C[N@@H+]1CCCC1C(=O)NC1CCCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030784238	0	56	0.0	-65.04	409.86	3.50	-61.54
C[N@H+]1CCCC1C(=O)NC1CCCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030784238	1	56	0.0	-68.69	410.81	3.74	-64.95
CCC(C(=O)NC1CCCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300030784337	0	58	0.0	-65.32	412.65	3.72	-61.60
CCC[N@H+](C)CC(=O)NC1CCCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030784341	0	58	0.0	-68.48	423.77	4.11	-64.37
CCC[N@@H+](C)CC(=O)NC1CCCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030784341	1	58	0.0	-68.67	423.75	4.10	-64.57
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030784347	0	56	0.0	-71.37	404.43	3.22	-68.15
C[N@H+]1CCC[C@@H]1C(=O)NC1CCCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030784347	1	56	0.0	-68.20	411.02	3.67	-64.53
CC[NH+](CC)CC(=O)NC1CCCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030784350	0	58	0.0	-70.14	420.59	4.02	-66.12
CC[N@H+](C)CCC(=O)NC1CCCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030784393	0	58	0.0	-69.96	424.64	3.88	-66.08
CC[N@@H+](C)CCC(=O)NC1CCCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030784393	1	58	0.0	-69.82	424.62	3.90	-65.92
CC[C@@H](C(=O)NC1CCCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300030784396	0	58	0.0	-65.50	412.92	3.70	-61.80
C[NH+](C)CC(=O)NC1CCCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030784411	0	52	0.0	-72.27	384.55	2.68	-69.59
CC(C(=O)NC1CCCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+]1CCC1	REAL300030784415	1	56	0.0	-65.84	412.73	3.77	-62.07
C[N@H+](CC(=O)NC1CCCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300030784422	0	56	0.0	-65.54	413.81	4.08	-61.46
C[N@@H+](CC(=O)NC1CCCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1CC1	REAL300030784422	1	56	0.0	-66.40	413.94	4.09	-62.31
C[NH+]1CC(CC(=O)NC2CCCOC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030784427	0	56	0.0	-69.02	415.63	3.42	-65.60
C[C@@H](C(=O)NC1CCCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300030784435	0	55	0.0	-69.72	402.04	3.06	-66.66
C[C@@H](C(=O)NC1CCCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300030784454	0	55	0.0	-69.72	402.04	3.06	-66.66
C[C@H](C(=O)NC1CCCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)[NH+](C)C	REAL300030784478	0	55	0.0	-66.02	403.00	3.05	-62.97
CC1C[NH+](CC(=O)NC2CCCOC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C1	REAL300030784486	1	56	0.0	-71.85	415.83	3.78	-68.07
C[N@H+](CCO)CC(=O)NC1CCCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030784496	1	56	0.0	-69.58	412.61	0.12	-69.46
C[N@@H+](CCO)CC(=O)NC1CCCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030784496	1	56	0.0	-68.33	412.68	0.11	-68.22
CC[N@H+](C)CC(=O)NC1CCCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030784501	0	55	0.0	-68.10	402.27	3.36	-64.74
CC[N@@H+](C)CC(=O)NC1CCCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030784501	1	55	0.0	-68.24	402.26	3.36	-64.88
C[NH+](C)CC=CC(=O)NC1CCCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030784517	0	56	0.0	-73.60	421.76	3.95	-69.65
CC[N@@H+]1CCC1C(=O)NC1CCCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030784522	1	56	0.0	-69.31	409.16	3.28	-66.03
CC[N@H+]1CCC1C(=O)NC1CCCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030784522	1	56	0.0	-70.73	416.18	3.70	-67.03
CC(C[NH+](C)C)C(=O)NC1CCCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030784567	0	58	0.0	-70.08	422.94	3.95	-66.13
CC1CC[N@@H+]1CC(=O)NC1CCCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030784578	1	56	0.0	-70.74	415.85	3.77	-66.97
CC1CC[N@H+]1CC(=O)NC1CCCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030784578	1	56	0.0	-70.46	415.84	3.76	-66.70
NC(=[NH2+])SCC(=O)NC1CCCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030784598	0	50	0.0	-70.17	392.45	-0.37	-70.54
C[N@@H+]1CCC[C@H]1C(=O)NC1CCCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030784626	0	56	0.0	-68.50	410.50	3.71	-64.79
C[N@H+]1CCC[C@H]1C(=O)NC1CCCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030784626	1	56	0.0	-69.21	404.23	3.09	-66.12
C[N@@H+]1CCCC1C(=O)N1CCC2(CC1)OCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030784737	0	56	0.0	-64.75	412.01	3.65	-61.10
C[N@H+]1CCCC1C(=O)N1CCC2(CC1)OCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030784737	1	56	0.0	-74.39	405.85	3.33	-71.06
CCC(C(=O)N1CCC2(CC1)OCCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030784816	0	58	0.0	-71.21	412.03	3.59	-67.62
CCC[N@H+](C)CC(=O)N1CCC2(CC1)OCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030784820	0	58	0.0	-75.78	426.61	4.21	-71.57
CCC[N@@H+](C)CC(=O)N1CCC2(CC1)OCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030784820	1	58	0.0	-75.79	426.66	4.22	-71.57
CC[N@H+](C)CCC(=O)N1CCC2(CC1)OCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030784838	0	58	0.0	-78.04	427.50	4.07	-73.97
CC[N@@H+](C)CCC(=O)N1CCC2(CC1)OCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030784838	1	58	0.0	-78.04	427.49	4.07	-73.97
CC[C@@H](C(=O)N1CCC2(CC1)OCCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030784881	0	58	0.0	-71.10	411.73	3.60	-67.50
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CC1)OCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030784928	0	56	0.0	-66.77	405.99	3.35	-63.42
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CC1)OCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030784928	1	56	0.0	-64.57	409.62	3.69	-60.88
C[C@@H](C(=O)N1CCC2(CC1)OCCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030784984	0	55	0.0	-73.74	404.11	3.20	-70.54
C[N@H+](CCO)CC(=O)N1CCC2(CC1)OCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030784994	1	56	0.0	-76.56	415.51	0.23	-76.33
C[N@@H+](CCO)CC(=O)N1CCC2(CC1)OCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030784994	1	56	0.0	-76.12	415.25	0.23	-75.89
CC1C[NH+](CC(=O)N2CCC3(CC2)OCCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030785013	1	56	0.0	-67.77	418.69	3.89	-63.88
CC[N@H+](C)CC(=O)N1CCC2(CC1)OCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030785031	0	55	0.0	-75.42	405.11	3.48	-71.94
CC[N@@H+](C)CC(=O)N1CCC2(CC1)OCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030785031	1	55	0.0	-75.46	405.12	3.47	-71.99
CC(C[NH+](C)C)C(=O)N1CCC2(CC1)OCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030785064	0	58	0.0	-69.01	424.61	3.89	-65.12
C[NH+](C)C1(C(=O)N2CCC3(CC2)OCCCC3NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030785067	0	56	0.0	-66.73	406.42	3.26	-63.47
C[C@H](C(=O)N1CCC2(CC1)OCCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030785071	0	55	0.0	-73.24	403.40	3.13	-70.11
CC[N@@H+]1CCC1C(=O)N1CCC2(CC1)OCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030785074	0	56	0.0	-65.59	411.43	3.51	-62.08
CC[N@H+]1CCC1C(=O)N1CCC2(CC1)OCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030785074	1	56	0.0	-65.78	409.14	3.35	-62.43
C[NH+](C)C(C)(C)C(=O)N1CCC2(CC1)OCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030785083	0	58	0.0	-67.30	408.34	3.50	-63.80
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)OCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030785147	0	56	0.0	-72.29	412.03	3.66	-68.63
C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)OCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030785147	1	56	0.0	-74.29	406.08	3.34	-70.95
C[N@H+](CC(=O)N1CCC2(CC1)OCCCC2NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030785186	0	56	0.0	-72.26	416.71	4.20	-68.06
C[N@@H+](CC(=O)N1CCC2(CC1)OCCCC2NC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030785186	1	56	0.0	-73.14	416.81	4.20	-68.94
C[NH+]1CC(CC(=O)N2CCC3(CC2)OCCCC3NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030785215	0	56	0.0	-77.30	418.71	3.67	-73.63
C[NH+](C)CC(=O)N1CCC2(CC1)OCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030785218	0	52	0.0	-76.15	387.40	2.79	-73.36
C[C@@H](C(=O)N1CCC2(CC1)OCCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030785221	0	55	0.0	-73.74	404.11	3.20	-70.54
CC1CC[N@@H+]1CC(=O)N1CCC2(CC1)OCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030785230	0	56	0.0	-66.25	418.74	3.90	-62.35
CC1CC[N@H+]1CC(=O)N1CCC2(CC1)OCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030785230	1	56	0.0	-73.43	413.17	3.62	-69.81
C[NH+](C)CC=CC(=O)N1CCC2(CC1)OCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030785231	0	56	0.0	-71.93	422.28	4.03	-67.90
CC[NH+](CC)CC(=O)N1CCC2(CC1)OCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030785237	0	58	0.0	-73.84	418.98	3.88	-69.96
O=C(C[NH+]1CCC1)N1CCC2(CC1)OCCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030785238	1	53	0.0	-76.07	397.49	3.21	-72.86
CC(C(=O)N1CCC2(CC1)OCCCC2NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030785262	0	56	0.0	-73.09	415.69	3.71	-69.38
C[N@@H+]1CCCC1C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030785462	0	49	0.0	-70.35	372.29	2.95	-67.40
C[N@H+]1CCCC1C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030785462	1	49	0.0	-70.55	371.98	2.94	-67.61
C[N@@H+]1CCOC(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030785486	1	50	0.0	-80.71	389.62	2.85	-77.86
C[N@H+]1CCOC(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030785486	1	50	0.0	-85.08	389.94	2.94	-82.14
CC(C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCCCC1	REAL300030785657	0	58	0.0	-68.84	418.88	5.17	-63.67
CC(C)[N@@H+]1CCCCC1C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030785659	0	58	0.0	-66.84	425.51	5.00	-61.84
CC(C)[N@H+]1CCCCC1C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030785659	1	58	0.0	-66.78	419.67	4.94	-61.84
CC(C)[N@@H+]1CCCC1C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030785680	0	55	0.0	-68.31	404.99	4.75	-63.56
CC(C)[N@H+]1CCCC1C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030785680	1	55	0.0	-67.62	411.50	4.60	-63.02
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2CCCC[N@@H+]2C1	REAL300030785697	0	56	0.0	-75.90	419.95	5.17	-70.73
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2CCCC[N@H+]2C1	REAL300030785697	1	56	0.0	-69.00	419.85	5.22	-63.78
CC(C)C1=[NH+]C=CN1CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030785719	1	53	0.0	-67.40	418.24	5.22	-62.18
CC1=[NH+]C=CN1CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030785753	1	47	0.0	-68.41	382.01	4.10	-64.31
CC(C[NH+]1CCOCC1)C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030785755	0	56	0.0	-69.27	422.95	3.33	-65.94
O=C(CCC[NH+]1CCCCC1)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030785772	0	58	0.0	-73.54	437.63	5.70	-67.84
CC(C)(C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCCCC1	REAL300030785791	0	58	0.0	-71.37	421.93	5.47	-65.90
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1C[NH+]2CCC1CC2	REAL300030785801	0	53	0.0	-79.92	393.85	4.28	-75.64
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCCC2CCC[N@@H+]21	REAL300030785847	0	56	0.0	-65.39	416.35	5.23	-60.16
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCCC2CCC[N@H+]21	REAL300030785847	1	56	0.0	-68.01	408.99	4.96	-63.05
C[C@@H]1[C@H](C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300030785863	0	52	0.0	-74.29	389.82	3.67	-70.62
C[C@@H]1[C@H](C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300030785863	1	52	0.0	-74.18	394.54	3.69	-70.49
CC[C@@H]1[C@@H](C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300030785868	0	55	0.0	-74.71	409.08	4.20	-70.51
CC[C@@H]1[C@@H](C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300030785868	1	55	0.0	-74.10	414.42	4.50	-69.60
CC[N@@H+]1CCOC(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030785883	1	53	0.0	-78.85	407.41	3.50	-75.35
CC[N@H+]1CCOC(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030785883	1	53	0.0	-80.87	407.64	3.59	-77.28
CC[NH+](CC)CC(F)C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030785929	0	54	0.0	-71.79	411.83	4.19	-67.60
CC1CCC(C)[NH+]1CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030786002	0	55	0.0	-67.64	409.01	4.36	-63.28
O=C(CCC[NH+]1CCCC1)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030786008	0	55	0.0	-73.25	420.80	4.91	-68.34
C[NH+](C)CC1=CC=CC(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030786009	0	55	0.0	-75.44	430.73	5.98	-69.46
C#CC[NH+]1CCC(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030786014	0	54	0.0	-77.46	421.84	5.30	-72.16
O=C(CC[NH+]1CCCCC1)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030786015	0	55	0.0	-73.29	416.13	4.89	-68.40
C[NH+](C)CC1=CC=CC=C1C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030786018	0	55	0.0	-61.81	423.46	6.21	-55.60
CC[N@@H+]1CCCCC1C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030786022	0	55	0.0	-67.29	412.42	4.62	-62.67
CC[N@H+]1CCCCC1C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030786022	1	55	0.0	-68.41	402.17	4.48	-63.93
C[NH+](C)C(C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CC=C1	REAL300030786025	1	55	0.0	-68.98	427.27	5.99	-62.99
CC(C)C[N@@H+]1CCC(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030786042	0	58	0.0	-72.31	437.20	5.44	-66.87
CC(C)C[N@H+]1CCC(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030786042	1	58	0.0	-72.38	438.15	5.34	-67.04
C[NH+](C)C1(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCC1	REAL300030786046	0	52	0.0	-76.06	384.14	3.84	-72.22
CC(C)[N@@H+]1CCCC1CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030786048	0	58	0.0	-63.67	422.33	5.01	-58.66
CC(C)[N@H+]1CCCC1CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030786048	1	58	0.0	-70.11	430.85	5.07	-65.04
CC(C)[C@@H](C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030786063	0	54	0.0	-71.26	401.64	4.64	-66.62
C[N@H+](CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300030786112	0	52	0.0	-69.81	398.80	4.47	-65.34
C[N@@H+](CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL300030786112	1	52	0.0	-70.42	398.70	4.47	-65.95
CC(C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1C(C)CCC1C	REAL300030786176	0	58	0.0	-66.17	423.22	4.87	-61.30
CN(CCC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=[NH+]C=C1	REAL300030786232	0	54	0.0	-71.76	427.05	4.14	-67.62
C#CC[N@H+]1CCC[C@H]1C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030786240	1	51	0.0	-68.57	398.76	4.27	-64.30
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030786240	1	51	0.0	-70.88	403.94	4.75	-66.13
C[N@@H+]1CCCC1CCC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030786246	0	55	0.0	-75.75	419.57	4.98	-70.77
C[N@H+]1CCCC1CCC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030786246	1	55	0.0	-71.79	413.91	4.46	-67.33
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CCC[NH+](CCC1)C2	REAL300030786257	0	56	0.0	-73.06	409.96	4.68	-68.38
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC2CCCC[N@@H+]21	REAL300030786264	0	56	0.0	-66.92	420.44	5.44	-61.48
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC2CCCC[N@H+]21	REAL300030786264	1	56	0.0	-67.01	420.32	5.43	-61.58
O=C(CCCC[NH+]1CCCC1)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030786284	0	58	0.0	-74.04	443.91	5.81	-68.23
C[N@H+](CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)CC1=CC=CC=C1	REAL300030786286	1	55	0.0	-76.56	429.24	6.08	-70.48
C[N@@H+](CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)CC1=CC=CC=C1	REAL300030786286	1	55	0.0	-76.77	429.25	6.08	-70.69
C[NH+]1CCC(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030786297	0	52	0.0	-76.47	397.17	4.15	-72.32
C[NH+](C)CC1=CC(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=NO1	REAL300030786338	1	51	0.0	-79.99	411.70	3.52	-76.47
CC1=C(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C=CC2=C[NH+]=CN21	REAL300030786339	0	50	0.0	-72.37	396.28	6.27	-66.10
C[N@@H+]1CCCCC1C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030786371	0	52	0.0	-69.03	384.74	3.84	-65.19
C[N@H+]1CCCCC1C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030786371	1	52	0.0	-67.79	394.36	4.09	-63.70
CC(C)C[N@@H+]1CCCC1C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030786394	0	58	0.0	-69.04	437.48	5.67	-63.37
CC(C)C[N@H+]1CCCC1C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030786394	1	58	0.0	-70.64	431.22	5.06	-65.58
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN2C=[NH+]C=C2C=C1	REAL300030786499	0	47	0.0	-74.00	382.75	5.97	-68.03
CC1=[NH+]C=CN1CCCC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030786508	1	53	0.0	-70.18	423.55	5.38	-64.80
C[NH+](C)CC1=CC=C(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C=C1	REAL300030786513	0	55	0.0	-81.93	430.77	5.98	-75.95
O=C(CC[NH+]1CCOCC1)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030786514	1	53	0.0	-76.71	407.85	2.49	-74.22
CC1=C[NH+]=CN1CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030786545	1	47	0.0	-72.27	381.30	4.79	-67.48
O=C(CN1C=[NH+]C2=C1CCCC2)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030786551	1	54	0.0	-71.64	424.18	6.56	-65.08
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CCC[NH+]1CCC2	REAL300030786587	0	53	0.0	-73.37	397.14	4.47	-68.90
C[NH+](C)C1CCCC(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030786616	0	58	0.0	-72.09	431.41	5.34	-66.75
C[N@@H+]1CCC(CC(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030786619	0	52	0.0	-73.89	399.06	3.97	-69.92
C[N@H+]1CCC(CC(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030786619	1	52	0.0	-74.41	398.58	4.00	-70.41
CN(C)C1=CC=[NH+]C=C1C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030786631	0	51	0.0	-80.72	403.30	3.29	-77.43
CCC(C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030786636	0	51	0.0	-69.88	385.85	3.63	-66.25
C[NH+](C)C1(CC(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCCC1	REAL300030786650	0	58	0.0	-75.59	416.41	4.92	-70.67
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC2=C[NH+]=CN2C=C1	REAL300030786694	1	47	0.0	-78.79	383.02	6.00	-72.79
C[NH+](C)CCCCC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030786752	0	54	0.0	-75.37	417.95	4.62	-70.75
CC(C)C(C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030786772	0	54	0.0	-69.02	399.74	4.67	-64.35
CCC[N@H+](C)CCC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030786774	0	54	0.0	-74.75	414.17	4.46	-70.29
CCC[N@@H+](C)CCC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030786774	1	54	0.0	-74.61	414.18	4.44	-70.17
CCC[N@H+](C)CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030786780	0	51	0.0	-72.12	391.81	3.90	-68.22
CCC[N@@H+](C)CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030786780	1	51	0.0	-72.28	391.81	3.90	-68.38
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CC[N@H+](C1)CCC2	REAL300030786804	0	53	0.0	-79.69	394.47	3.70	-75.99
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CC[N@@H+](C1)CCC2	REAL300030786804	1	53	0.0	-77.24	394.48	3.73	-73.51
C[N@@H+]1CCC[C@@H]1C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030786844	0	49	0.0	-71.77	371.95	3.04	-68.73
C[N@H+]1CCC[C@@H]1C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030786844	1	49	0.0	-68.47	379.01	3.48	-64.99
CCCCCC[N@H+](C)CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030786904	0	60	0.0	-73.37	456.31	6.24	-67.13
CCCCCC[N@@H+](C)CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030786904	1	60	0.0	-73.54	456.31	6.25	-67.29
CC[NH+](CC)C(C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(C)C	REAL300030786909	0	60	0.0	-70.44	433.20	5.55	-64.89
CC[NH+](CC)CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030786918	0	51	0.0	-70.03	388.15	3.84	-66.19
CCC[N@@H+]1CCCC(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030786950	0	58	0.0	-71.41	435.99	5.42	-65.99
CCC[N@H+]1CCCC(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030786950	1	58	0.0	-71.69	436.22	5.50	-66.19
CC(C)[N@@H+]1CCOC(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030786967	0	56	0.0	-73.74	416.81	3.84	-69.90
CC(C)[N@H+]1CCOC(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030786967	1	56	0.0	-78.67	424.18	4.04	-74.63
CC1CC[NH+](CC(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030786999	0	55	0.0	-72.56	415.15	4.97	-67.59
C[NH+]1CCC(OCC(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030787027	0	56	0.0	-79.32	432.53	4.57	-74.75
C[NH+](C)CC1(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030787041	0	52	0.0	-77.32	404.53	4.26	-73.06
CC1=[NH+]C=C2CCC(C(=O)NCC=C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CN21	REAL300030787042	1	54	0.0	-67.53	420.21	5.23	-62.30
CC(C)[NH+]1CCC(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030787117	0	58	0.0	-73.72	427.83	5.10	-68.62
C[NH+]1CCC(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030787138	0	52	0.0	-76.47	397.17	4.15	-72.32
CC(C)[C@H](C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030787156	0	54	0.0	-68.55	398.13	4.03	-64.52
CCC(C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](CC)CC	REAL300030787187	0	57	0.0	-65.62	416.15	4.96	-60.66
CC[N@H+](C)CCC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030787249	0	51	0.0	-74.01	392.68	3.69	-70.32
CC[N@@H+](C)CCC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030787249	1	51	0.0	-73.84	392.68	3.69	-70.15
CC1CCC[N@@H+]1CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030787305	0	52	0.0	-68.65	390.96	3.78	-64.87
CC1CCC[N@H+]1CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030787305	1	52	0.0	-69.29	397.58	4.19	-65.10
CC1CC[N@H+](CC(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030787307	0	52	0.0	-71.22	397.81	4.14	-67.08
CC1CC[N@@H+](CC(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030787307	1	52	0.0	-71.23	397.81	4.14	-67.09
CC1=[NH+]C=C2CC(C(=O)NCC=C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CCN21	REAL300030787309	1	54	0.0	-71.91	421.09	5.21	-66.70
CC1(C)CC[N@H+](CC(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030787312	0	55	0.0	-71.24	417.48	4.64	-66.60
CC1(C)CC[N@@H+](CC(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030787312	1	55	0.0	-71.58	418.04	4.75	-66.83
C[N@H+](CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300030787313	0	57	0.0	-71.41	420.16	4.91	-66.50
C[N@@H+](CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)CC(C)(C)C	REAL300030787313	1	57	0.0	-71.62	422.82	5.06	-66.56
CC[C@@H](C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030787322	0	51	0.0	-69.27	382.63	3.53	-65.74
C[NH+]1CCC(O)(CC(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030787501	0	56	0.0	-69.54	420.21	2.89	-66.65
C[NH+](C)CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030787513	0	45	0.0	-72.54	352.58	2.48	-70.06
O=C(C[NH+]1CCC(CO)CC1)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030787517	0	56	0.0	-75.13	425.94	1.64	-73.49
O=C(C[NH+]1CCCCCC1)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030787519	0	55	0.0	-71.77	403.91	4.53	-67.24
CN1C=C[N+](CC(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030787523	0	47	0.0	-69.55	383.81	6.00	-63.55
C[N@@H+]1CCCC(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030787530	0	52	0.0	-72.43	396.85	4.02	-68.41
C[N@H+]1CCCC(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030787530	1	52	0.0	-72.73	396.82	4.00	-68.73
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC[N@@H+]1C1CC1	REAL300030787535	0	53	0.0	-67.37	410.07	4.97	-62.40
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCC[N@H+]1C1CC1	REAL300030787535	1	53	0.0	-66.74	405.09	4.81	-61.93
CC(C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC1	REAL300030787564	0	49	0.0	-70.91	382.70	3.51	-67.40
CCC(CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300030787570	0	57	0.0	-78.97	427.06	5.07	-73.90
C[NH+](C)CC(C)(C)C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030787577	0	54	0.0	-72.44	402.51	4.22	-68.22
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CC(C1)C[N@@H+]2C1CC1	REAL300030787595	0	54	0.0	-72.55	417.38	4.88	-67.67
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CC(C1)C[N@H+]2C1CC1	REAL300030787595	1	54	0.0	-71.97	409.33	5.76	-66.21
O=C(C[NH+]1CCC(O)CC1)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030787606	1	53	0.0	-76.37	405.34	0.99	-75.38
C[N@H+](CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300030787607	0	49	0.0	-69.69	381.99	3.90	-65.79
C[N@@H+](CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300030787607	1	49	0.0	-69.37	381.85	3.90	-65.47
CC(C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)N1CC[NH+](C)CC1	REAL300030787608	1	57	0.0	-71.94	425.38	2.30	-69.64
C[NH+]1CC(CC(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030787627	0	49	0.0	-73.95	384.02	3.32	-70.63
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC[N@@H+]1C1CCCC1	REAL300030787631	0	56	0.0	-70.23	419.45	5.08	-65.15
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC[N@H+]1C1CCCC1	REAL300030787631	1	56	0.0	-72.20	423.16	5.26	-66.94
CC(C)(C)[N@@H+]1CCC1C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030787639	0	55	0.0	-68.75	414.56	4.23	-64.52
CC(C)(C)[N@H+]1CCC1C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030787639	1	55	0.0	-70.33	394.87	4.26	-66.07
C[C@@H](C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030787650	0	48	0.0	-70.85	370.26	2.91	-67.94
CCC1CCC[N@H+](CC(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030787692	0	58	0.0	-71.92	433.23	5.52	-66.40
CCC1CCC[N@@H+](CC(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030787692	1	58	0.0	-71.94	433.23	5.52	-66.42
C[NH+](C)CC1=CC=C(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)N1	REAL300030787700	0	53	0.0	-83.91	419.43	3.66	-80.25
[NH2+]=C1SC=CN1CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030787745	0	45	0.0	-67.72	379.66	2.68	-65.04
C[N@H+](CCO)CCC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030787755	0	52	0.0	-73.42	403.03	0.49	-72.93
C[N@@H+](CCO)CCC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030787755	1	52	0.0	-73.37	402.81	0.48	-72.89
C[C@@H](C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030787756	0	48	0.0	-70.85	370.26	2.91	-67.94
C[N@@H+]1CCCC[C@@H]1C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030787760	0	52	0.0	-69.16	384.48	3.94	-65.22
C[N@H+]1CCCC[C@@H]1C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030787760	1	52	0.0	-67.70	394.83	4.03	-63.67
CC1CN2CC[N@@H+]1CC2C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030787769	0	55	0.0	-76.87	405.54	1.41	-75.46
CC1CN2CC[N@H+]1CC2C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030787769	1	55	0.0	-73.75	404.91	1.45	-72.30
O=C(CC1=CC2=C[NH+]=CN2C=C1)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030787815	0	50	0.0	-71.33	406.99	6.68	-64.65
C[N@H+](CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCSC1	REAL300030787840	0	53	0.0	-76.72	412.07	4.72	-72.00
C[N@@H+](CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CCSC1	REAL300030787840	1	53	0.0	-77.60	411.87	4.73	-72.87
O=C(C[NH+]1CCC1)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030787841	1	46	0.0	-72.29	362.68	2.90	-69.39
C[NH+](C)CC1=CC(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC=N1	REAL300030787871	1	54	0.0	-72.55	426.71	4.14	-68.41
C[N@@H+]1CCC(=CC(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030787873	0	50	0.0	-75.69	389.87	3.95	-71.74
C[N@H+]1CCC(=CC(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030787873	1	50	0.0	-75.72	390.13	3.97	-71.75
C[NH+](C)CCOCC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030787907	0	52	0.0	-72.07	408.46	3.54	-68.53
CCCCC[N@H+](C)CCC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030787913	0	60	0.0	-75.60	457.17	6.02	-69.58
CCCCC[N@@H+](C)CCC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030787913	1	60	0.0	-75.56	457.18	6.02	-69.54
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300030787922	0	56	0.0	-74.12	431.52	4.45	-69.67
C=CCC(C)(C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030787929	0	55	0.0	-76.12	407.03	4.83	-71.29
C[S+](C)CCC(O)C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030787934	0	51	0.0	-76.17	417.42	2.14	-74.03
C[N@@H+]1CC(O)CC1(C)C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030787961	0	53	0.0	-80.69	399.67	0.91	-79.78
CN1CC[N@H+](C)CC(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030787973	0	57	0.0	-70.45	422.61	2.55	-67.90
CN1CC[N@@H+](C)CC(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030787973	1	57	0.0	-70.45	422.61	2.55	-67.90
CC(C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[N@@H+]1CCCC(O)C1	REAL300030787974	0	56	0.0	-68.94	421.81	1.37	-67.57
C[N@@H+]1CCCC(O)(CC(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030787993	0	56	0.0	-67.57	422.85	2.88	-64.69
C[N@H+]1CCCC(O)(CC(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030787993	1	56	0.0	-67.57	422.85	2.88	-64.69
CC1CN(CC(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030787996	0	49	0.0	-73.00	382.66	3.64	-69.36
CC1C[NH+](CC(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030787996	1	49	0.0	-73.00	382.66	3.64	-69.36
CN(CCO)CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788023	0	49	0.0	-73.23	380.66	-0.08	-73.31
C[N@H+](CCO)CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788023	1	49	0.0	-72.43	380.61	-0.07	-72.50
C[N@@H+](CCO)CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788023	1	49	0.0	-72.43	380.61	-0.07	-72.50
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1C[N@@H+]2CCN1CCC2	REAL300030788046	0	55	0.0	-76.36	397.00	1.49	-74.87
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1C[N@H+]2CCN1CCC2	REAL300030788046	1	55	0.0	-76.36	397.00	1.49	-74.87
CC[N@@H+]1CCCC(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030788052	0	55	0.0	-71.08	414.21	4.65	-66.43
CC[N@H+]1CCCC(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030788052	1	55	0.0	-71.08	414.21	4.65	-66.43
CC(CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300030788054	0	54	0.0	-76.30	409.16	4.48	-71.82
CC[N@H+](C)CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788067	0	48	0.0	-71.88	370.31	3.15	-68.73
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CCC[N@@H+]1CCCC2	REAL300030788095	0	56	0.0	-67.61	408.50	4.91	-62.70
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CCC[N@H+]1CCCC2	REAL300030788095	1	56	0.0	-67.61	408.50	4.91	-62.70
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CCC[N@@H+]1CC=CC2	REAL300030788102	0	54	0.0	-72.59	398.82	4.99	-67.60
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C12CCC[N@H+]1CC=CC2	REAL300030788102	1	54	0.0	-72.59	398.82	4.99	-67.60
CC[N@H+](CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC1	REAL300030788123	0	52	0.0	-68.18	396.87	4.26	-63.92
CC[NH+](CC)CCC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788141	0	54	0.0	-72.96	410.43	4.40	-68.56
CC1(C)CN(CC(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030788166	0	52	0.0	-72.31	402.98	4.07	-68.24
CC1(C)C[NH+](CC(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030788166	1	52	0.0	-72.31	402.98	4.07	-68.24
CC1(O)CC[N@H+](CC(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030788194	0	53	0.0	-70.99	408.18	0.82	-70.17
C[NH+](C)CC=CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788201	0	49	0.0	-77.46	388.54	3.69	-73.77
CC(OCC[NH+](C)C)C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788223	0	55	0.0	-73.22	427.44	4.28	-68.94
C[NH+](C)CCOCCC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788232	0	55	0.0	-73.64	429.25	3.30	-70.34
COCCN(C)CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788233	0	52	0.0	-72.11	402.87	2.33	-69.78
COCC[N@H+](C)CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788233	1	52	0.0	-73.42	402.91	2.32	-71.10
COCC[N@@H+](C)CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788233	1	52	0.0	-73.42	402.91	2.32	-71.10
C[NH+](C)C1(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CCCC1	REAL300030788269	0	55	0.0	-75.71	404.29	4.88	-70.83
CC(CCC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030788272	0	54	0.0	-77.10	406.15	4.20	-72.90
CCN1CCC1C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788281	0	49	0.0	-69.63	377.08	3.12	-66.51
CC[N@@H+]1CCC1C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788281	1	49	0.0	-71.52	384.18	3.50	-68.02
CC[N@H+]1CCC1C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788281	1	49	0.0	-71.52	384.18	3.50	-68.02
CC(C)[N@@H+]1CCCC(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030788291	0	58	0.0	-65.77	424.87	5.40	-60.37
CC(C)[N@H+]1CCCC(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030788291	1	58	0.0	-65.77	424.87	5.40	-60.37
O=C(C[N@H+]1CCCC1CO)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788304	0	53	0.0	-70.98	405.43	1.02	-69.96
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2CCCC[N@@H+]2C1	REAL300030788326	0	56	0.0	-69.00	419.85	5.22	-63.78
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2CCCC[N@H+]2C1	REAL300030788326	1	56	0.0	-69.00	419.85	5.22	-63.78
C[NH+]1CCC(C)(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030788332	0	55	0.0	-68.86	409.82	4.56	-64.30
C=CCC(C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030788362	0	52	0.0	-69.07	394.92	3.94	-65.13
C[N@@H+]1CC(C)(C)CC1C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788375	0	55	0.0	-69.81	412.89	4.10	-65.71
C[N@H+]1CC(C)(C)CC1C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788375	1	55	0.0	-69.81	412.89	4.10	-65.71
C[NH+](C)CCCCCC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788379	0	57	0.0	-74.77	439.44	5.41	-69.36
CC1C[N@@H+]2CCN1C(C(=O)NCC=C1CCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300030788414	0	55	0.0	-79.62	405.56	1.50	-78.12
CC1C[N@H+]2CCN1C(C(=O)NCC=C1CCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300030788414	1	55	0.0	-79.62	405.56	1.50	-78.12
CCCC(C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030788415	0	54	0.0	-70.31	407.35	4.39	-65.92
C[NH+](C)C(C)(C)C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788419	0	51	0.0	-75.94	380.29	3.44	-72.50
C[N@@H+]1CCCCC1C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788461	0	52	0.0	-67.79	394.36	4.09	-63.70
C[N@H+]1CC=C(CC(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030788501	0	53	0.0	-69.73	411.71	4.81	-64.92
C[N@@H+]1CC=C(CC(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030788501	1	53	0.0	-69.73	411.71	4.81	-64.92
O=C(CC1([NH+]2CCCC2)CC1)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788510	0	56	0.0	-69.59	415.75	5.14	-64.45
CN(C)CC1=CC=C(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300030788559	0	52	0.0	-80.43	417.16	4.29	-76.14
C[NH+](C)CC1=CC=C(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300030788559	1	52	0.0	-80.43	417.16	4.29	-76.14
O=C(C=CC[NH+]1CCCC1)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788576	0	53	0.0	-76.20	413.14	4.76	-71.44
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC[NH+](C2CC2)CC1	REAL300030788600	0	56	0.0	-73.80	422.00	5.35	-68.45
O=C(CC[NH+]1CCCC1)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788623	0	52	0.0	-73.82	399.30	4.10	-69.72
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1C[NH+]2CCN1CC2	REAL300030788661	0	52	0.0	-76.72	388.51	0.89	-75.83
C[N@@H+]1CC2CC1(C(=O)NCC=C1CCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300030788671	0	50	0.0	-73.03	384.76	3.34	-69.69
O=C(C[N@@H+]1CC2CCC1C2)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788685	0	53	0.0	-70.09	398.88	4.59	-65.50
O=C(C[N@H+]1CC2CCC1C2)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788685	1	53	0.0	-70.09	398.88	4.59	-65.50
O=C(C=C1C[NH+]2CCC1CC2)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788726	0	54	0.0	-68.38	409.00	4.90	-63.48
O=C(CN1CC2C=CC1C2)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788736	0	51	0.0	-70.00	391.63	4.37	-65.63
O=C(C[N@@H+]1CC2C=CC1C2)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788736	1	51	0.0	-69.93	391.60	4.37	-65.56
O=C(C[N@H+]1CC2C=CC1C2)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788736	1	51	0.0	-69.93	391.60	4.37	-65.56
CC(C[NH+](C)C)C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788788	0	51	0.0	-73.42	390.86	3.76	-69.66
C[N@@H+]1CCCCC1CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788866	0	55	0.0	-66.58	404.22	4.56	-62.02
C[N@H+]1CCCCC1CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788866	1	55	0.0	-74.36	411.38	4.65	-69.71
CC1=C2C=C(C(=O)NCC=C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300030788882	1	50	0.0	-76.96	404.93	6.55	-70.41
CC(C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CC(C)C1	REAL300030788883	0	52	0.0	-69.67	400.50	4.25	-65.42
CC1CC[N@@H+]1CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788886	1	49	0.0	-69.67	378.04	3.23	-66.44
CC1CC[N@H+]1CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788886	1	49	0.0	-70.83	383.49	3.55	-67.28
C[NH+](C)CC(O)CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788891	0	52	0.0	-77.44	405.07	1.53	-75.91
CC1C[N@H+](C)CC(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300030788919	1	53	0.0	-81.73	403.60	3.16	-78.57
CC1C[N@@H+](C)CC(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)O1	REAL300030788919	1	53	0.0	-79.07	403.97	3.50	-75.57
O=C(CC[NH+]1CCC(O)CC1)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788928	0	56	0.0	-76.68	427.67	1.57	-75.11
CCC[N@@H+]1CCCCC1C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788930	0	58	0.0	-68.99	423.48	5.25	-63.74
CCC[N@H+]1CCCCC1C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788930	1	58	0.0	-67.55	433.44	5.47	-62.08
C[NH+](C)[C@H]1C[C@H](C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030789009	0	52	0.0	-73.49	401.79	4.14	-69.35
CC(CC[NH+](C)C)C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030789017	0	54	0.0	-73.72	412.62	4.38	-69.34
C[N@H+](CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CCC[C@H]1O	REAL300030789038	0	56	0.0	-69.57	423.55	1.70	-67.87
C[N@@H+](CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[C@@H]1CCC[C@H]1O	REAL300030789038	1	56	0.0	-69.90	423.17	1.86	-68.04
C#CC[N@H+]1CCCCC1C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030789047	1	54	0.0	-68.14	419.88	5.23	-62.91
C#CC[N@@H+]1CCCCC1C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030789047	1	54	0.0	-68.65	409.97	5.01	-63.64
C[NH+]1CCN(CC(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030789050	1	54	0.0	-73.39	411.60	1.98	-71.41
CC[NH+]1CCN(CC(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030789059	0	57	0.0	-72.06	429.32	2.67	-69.39
NC(=[NH2+])SCC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030789085	0	43	0.0	-74.74	360.50	-0.57	-75.31
CC[N@@H+]1CCOCC1CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030789122	0	56	0.0	-75.30	420.24	2.88	-72.42
C[NH+](C)C1CCC(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030789138	0	58	0.0	-65.79	424.87	5.16	-60.63
C[NH+](C)CCC1(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030789139	0	55	0.0	-73.03	427.93	5.01	-68.02
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030789141	0	58	0.0	-71.51	424.87	5.18	-66.33
C[N@@H+]1CC=CCC1CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030789142	0	53	0.0	-65.88	398.64	4.49	-61.39
C[N@H+]1CC=CCC1CC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030789142	1	53	0.0	-65.88	398.64	4.49	-61.39
C[C@@H](OCC[NH+](C)C)C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030789165	0	55	0.0	-69.44	428.08	4.25	-65.19
C[NH+]1C2CCC1CC(C(=O)NCC=C1CCN(C(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300030789193	0	56	0.0	-68.93	394.91	4.99	-63.94
CC(C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCSCC1	REAL300030789303	1	53	0.0	-73.31	406.93	4.31	-69.00
CCC1C[NH+](CC(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030789305	0	52	0.0	-73.24	405.24	4.34	-68.90
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1([NH+]2CCCC2)CCC1	REAL300030789307	0	56	0.0	-72.27	414.62	4.99	-67.28
C[N@@H+]1CCC[C@H]1C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030789316	0	49	0.0	-69.42	378.49	3.54	-65.88
C[N@H+]1CCC[C@H]1C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030789316	1	49	0.0	-71.89	372.20	3.04	-68.85
O=C(CC[N@@H+]1CCC(F)C1)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030789323	1	52	0.0	-76.73	406.74	4.29	-72.44
COC1C[N@@H+](C)C(C)(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030789331	1	56	0.0	-71.94	422.50	3.01	-68.93
O=C(CC[NH+]1CCCCCC1)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030789340	0	58	0.0	-75.49	426.60	5.12	-70.37
O=C(C[NH+]1CCCCC1)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030789342	0	52	0.0	-71.15	393.97	4.35	-66.80
CC1C(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL300030789352	0	52	0.0	-72.41	393.71	3.69	-68.72
CC1C(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL300030789352	1	52	0.0	-72.30	394.17	4.08	-68.22
C[N@@H+]1CCCCC1CCC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030789354	0	58	0.0	-71.19	433.51	5.37	-65.82
C[N@H+]1CCCCC1CCC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030789354	1	58	0.0	-71.00	432.85	5.36	-65.64
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CC(C(=O)N1CCC(=CCNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+]1CCC1	REAL300030794325	0	49	0.0	-67.23	380.78	3.49	-63.74
CCC(CC(=O)N1CCC(=CCNC(=O)C2=CC(=O)[N-]O2)CC1)C[NH+](C)C	REAL300030794332	0	57	0.0	-75.85	430.09	5.32	-70.53
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C[NH+](C)CC(C)(C)C(=O)N1CCC(=CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030794340	0	54	0.0	-68.59	392.27	3.78	-64.81
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(=CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030794404	0	52	0.0	-67.34	384.74	3.80	-63.54
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(=CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030794404	1	52	0.0	-65.74	395.95	4.29	-61.45
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC(=CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030794419	0	55	0.0	-72.47	403.55	1.23	-71.24
CC1CN2CC[N@H+]1CC2C(=O)N1CCC(=CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030794419	1	55	0.0	-71.02	403.55	1.23	-69.79
C[NH+](C)CC(O)CC(=O)N1CCC(=CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030794440	0	52	0.0	-75.26	408.01	1.73	-73.53
C[NH+]1C2CCC1CC(C(=O)N1CCC(=CCNC(=O)C3=CC(=O)[N-]O3)CC1)C2	REAL300030794443	0	56	0.0	-69.69	414.07	4.76	-64.93
C=CCC(C(=O)N1CCC(=CCNC(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL300030794476	0	52	0.0	-67.86	399.43	4.23	-63.63
O=C(NCC=C1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC1)C1=CC(=O)[N-]O1	REAL300030794486	0	56	0.0	-69.55	417.98	5.18	-64.37
O=C(NCC=C1CCN(C(=O)C2CC3CCCC[N@H+]3C2)CC1)C1=CC(=O)[N-]O1	REAL300030794486	1	56	0.0	-70.77	419.18	5.19	-65.58
C[NH+]1CCC(C)(C(=O)N2CCC(=CCNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030794497	0	55	0.0	-67.77	403.14	4.18	-63.59
C[NH+]1CCC(O)(CC(=O)N2CCC(=CCNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030794499	0	56	0.0	-71.64	425.92	3.02	-68.62
CC1=C2C=C(C(=O)NCC=C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C=CN2C=[NH+]1	REAL300030794581	1	50	0.0	-76.96	404.93	6.55	-70.41
C[NH+](C)CCSCC(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030794590	0	52	0.0	-78.71	419.47	4.42	-74.29
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2COCC[N@@H+]2C1	REAL300030794598	0	54	0.0	-74.35	411.29	2.81	-71.54
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1CC2COCC[N@H+]2C1	REAL300030794598	1	54	0.0	-74.48	411.21	2.84	-71.64
C[N@@H+]1CCCC1C(=O)NCC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030794717	0	58	0.0	-71.30	423.65	4.94	-66.36
C[N@H+]1CCCC1C(=O)NCC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030794717	1	58	0.0	-74.02	416.73	4.61	-69.41
CCC(C(=O)NCC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1)[NH+](C)C	REAL300030794840	0	60	0.0	-71.52	437.25	5.51	-66.01
CCC[N@H+](C)CC(=O)NCC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030794846	0	60	0.0	-72.58	436.20	5.50	-67.08
CCC[N@@H+](C)CC(=O)NCC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030794846	1	60	0.0	-72.42	436.19	5.49	-66.93
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030794854	0	58	0.0	-74.90	423.81	4.91	-69.99
C[N@H+]1CCC[C@@H]1C(=O)NCC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030794854	1	58	0.0	-69.37	422.86	5.14	-64.23
CC[NH+](CC)CC(=O)NCC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030794860	0	60	0.0	-71.01	433.01	5.43	-65.58
CC[N@H+](C)CCC(=O)NCC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030794922	0	60	0.0	-73.49	437.04	5.31	-68.18
CC[N@@H+](C)CCC(=O)NCC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030794922	1	60	0.0	-74.91	444.08	5.58	-69.33
CC[C@@H](C(=O)NCC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1)[NH+](C)C	REAL300030794925	0	60	0.0	-71.44	433.73	5.28	-66.16
C[NH+](C)CC(=O)NCC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030794945	0	54	0.0	-72.77	396.96	4.08	-68.69
CC(C(=O)NCC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1)[NH+]1CCC1	REAL300030794950	1	58	0.0	-71.20	433.53	5.18	-66.02
C[N@H+](CC(=O)NCC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1)C1CC1	REAL300030794957	0	58	0.0	-69.78	426.22	5.49	-64.29
C[N@@H+](CC(=O)NCC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1)C1CC1	REAL300030794957	1	58	0.0	-71.30	433.39	5.79	-65.51
C[NH+]1CC(CC(=O)NCC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC3C2)C1	REAL300030794963	0	58	0.0	-75.08	435.43	5.20	-69.88
C[C@@H](C(=O)NCC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1)[NH+](C)C	REAL300030794972	0	57	0.0	-72.22	421.47	4.78	-67.44
C[C@@H](C(=O)NCC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1)[NH+](C)C	REAL300030794997	0	57	0.0	-72.22	421.47	4.78	-67.44
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C[C@H](C(=O)NCC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1)[NH+](C)C	REAL300030795030	0	57	0.0	-71.39	421.43	4.65	-66.74
CC1C[NH+](CC(=O)NCC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC3C2)C1	REAL300030795038	1	58	0.0	-73.69	435.24	5.46	-68.23
C[N@H+](CCO)CC(=O)NCC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795049	1	58	0.0	-72.61	425.04	1.52	-71.09
C[N@@H+](CCO)CC(=O)NCC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795049	1	58	0.0	-72.85	424.67	1.53	-71.32
CC[N@H+](C)CC(=O)NCC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795057	0	57	0.0	-72.19	414.69	4.75	-67.44
CC[N@@H+](C)CC(=O)NCC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795057	1	57	0.0	-72.11	414.69	4.76	-67.35
C[NH+](C)CC=CC(=O)NCC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795078	0	58	0.0	-78.25	439.95	5.59	-72.66
CC[N@@H+]1CCC1C(=O)NCC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795085	1	58	0.0	-71.22	420.29	4.58	-66.64
CC[N@H+]1CCC1C(=O)NCC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795085	1	58	0.0	-71.67	428.63	5.06	-66.61
C[NH+](C)C(C)(C)C(=O)NCC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795101	0	60	0.0	-76.45	424.41	5.26	-71.19
C[NH+](C)C1(C(=O)NCC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC3C2)CC1	REAL300030795129	0	58	0.0	-76.52	419.48	5.22	-71.30
CC(C[NH+](C)C)C(=O)NCC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795152	0	60	0.0	-74.65	442.39	5.65	-69.00
CC1CC[N@@H+]1CC(=O)NCC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795164	1	58	0.0	-70.33	422.75	4.90	-65.43
CC1CC[N@H+]1CC(=O)NCC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795164	1	58	0.0	-70.94	428.26	5.17	-65.77
NC(=[NH2+])SCC(=O)NCC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795190	0	52	0.0	-74.32	404.88	1.03	-73.29
C[N@@H+]1CCC[C@H]1C(=O)NCC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795223	0	58	0.0	-71.49	422.85	5.08	-66.41
C[N@H+]1CCC[C@H]1C(=O)NCC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795223	1	58	0.0	-73.71	416.57	4.58	-69.13
C[N@@H+]1CCCC1C(=O)N1CCC2CC(CNC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795345	0	58	0.0	-69.46	428.34	5.27	-64.19
C[N@H+]1CCCC1C(=O)N1CCC2CC(CNC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795345	1	58	0.0	-69.72	428.62	5.32	-64.40
CCC(C(=O)N1CCC2CC(CNC(=O)C3=CC(=O)[N-]O3)CCC2C1)[NH+](C)C	REAL300030795435	0	60	0.0	-68.83	431.87	5.32	-63.51
CCC[N@H+](C)CC(=O)N1CCC2CC(CNC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795439	0	60	0.0	-72.60	446.10	5.91	-66.69
CCC[N@@H+](C)CC(=O)N1CCC2CC(CNC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795439	1	60	0.0	-72.59	446.05	5.91	-66.68
CC[N@H+](C)CCC(=O)N1CCC2CC(CNC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795459	0	60	0.0	-74.79	446.92	5.77	-69.02
CC[N@@H+](C)CCC(=O)N1CCC2CC(CNC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795459	1	60	0.0	-74.84	446.90	5.77	-69.07
CC[C@@H](C(=O)N1CCC2CC(CNC(=O)C3=CC(=O)[N-]O3)CCC2C1)[NH+](C)C	REAL300030795504	0	60	0.0	-69.93	430.28	5.26	-64.67
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2CC(CNC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795555	0	58	0.0	-70.51	425.24	5.05	-65.46
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2CC(CNC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795555	1	58	0.0	-69.68	428.74	5.33	-64.35
C[C@@H](C(=O)N1CCC2CC(CNC(=O)C3=CC(=O)[N-]O3)CCC2C1)[NH+](C)C	REAL300030795619	0	57	0.0	-70.79	422.80	4.86	-65.93
C[N@H+](CCO)CC(=O)N1CCC2CC(CNC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795631	1	58	0.0	-73.30	434.91	1.93	-71.37
C[N@@H+](CCO)CC(=O)N1CCC2CC(CNC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795631	1	58	0.0	-72.95	434.70	1.93	-71.02
CC1C[NH+](CC(=O)N2CCC3CC(CNC(=O)C4=CC(=O)[N-]O4)CCC3C2)C1	REAL300030795652	1	58	0.0	-72.17	431.12	5.29	-66.88
CC[N@H+](C)CC(=O)N1CCC2CC(CNC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795670	0	57	0.0	-72.26	424.60	5.17	-67.09
CC[N@@H+](C)CC(=O)N1CCC2CC(CNC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795670	1	57	0.0	-72.35	424.56	5.16	-67.19
CC(C[NH+](C)C)C(=O)N1CCC2CC(CNC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795707	0	60	0.0	-75.27	444.99	5.66	-69.61
C[NH+](C)C1(C(=O)N2CCC3CC(CNC(=O)C4=CC(=O)[N-]O4)CCC3C2)CC1	REAL300030795710	0	58	0.0	-74.98	428.88	4.98	-70.00
C[C@H](C(=O)N1CCC2CC(CNC(=O)C3=CC(=O)[N-]O3)CCC2C1)[NH+](C)C	REAL300030795715	0	57	0.0	-70.98	415.13	4.52	-66.46
CC[N@@H+]1CCC1C(=O)N1CCC2CC(CNC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795718	1	58	0.0	-71.89	430.47	5.10	-66.79
CC[N@H+]1CCC1C(=O)N1CCC2CC(CNC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795718	1	58	0.0	-71.35	430.83	5.19	-66.16
NC1=CC=[NH+]C=C1C(=O)N1CCC2CC(CNC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795726	0	54	0.0	-72.89	410.71	2.13	-70.76
C[NH+](C)C(C)(C)C(=O)N1CCC2CC(CNC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795731	0	60	0.0	-73.33	426.59	5.04	-68.29
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2CC(CNC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795801	0	58	0.0	-68.45	421.67	4.98	-63.47
C[N@H+]1CCC[C@H]1C(=O)N1CCC2CC(CNC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795801	1	58	0.0	-71.59	425.30	5.04	-66.55
C[N@H+](CC(=O)N1CCC2CC(CNC(=O)C3=CC(=O)[N-]O3)CCC2C1)C1CC1	REAL300030795849	0	58	0.0	-69.43	436.09	5.91	-63.52
C[N@@H+](CC(=O)N1CCC2CC(CNC(=O)C3=CC(=O)[N-]O3)CCC2C1)C1CC1	REAL300030795849	1	58	0.0	-70.08	436.23	5.91	-64.17
C[NH+]1CC(CC(=O)N2CCC3CC(CNC(=O)C4=CC(=O)[N-]O4)CCC3C2)C1	REAL300030795880	0	58	0.0	-74.38	438.09	5.36	-69.02
C[NH+](C)CC(=O)N1CCC2CC(CNC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795885	0	54	0.0	-72.96	406.80	4.49	-68.47
C[C@@H](C(=O)N1CCC2CC(CNC(=O)C3=CC(=O)[N-]O3)CCC2C1)[NH+](C)C	REAL300030795890	0	57	0.0	-70.79	422.80	4.86	-65.93
CC1CC[N@@H+]1CC(=O)N1CCC2CC(CNC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795899	1	58	0.0	-70.74	431.07	5.26	-65.48
CC1CC[N@H+]1CC(=O)N1CCC2CC(CNC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795899	1	58	0.0	-71.62	438.17	5.58	-66.04
C[NH+](C)CC=CC(=O)N1CCC2CC(CNC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795900	0	58	0.0	-77.93	442.94	5.76	-72.17
CC[NH+](CC)CC(=O)N1CCC2CC(CNC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795909	0	60	0.0	-70.81	438.39	5.57	-65.24
O=C(C[NH+]1CCC1)N1CCC2CC(CNC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030795912	1	55	0.0	-72.33	410.12	4.68	-67.65
CC(C(=O)N1CCC2CC(CNC(=O)C3=CC(=O)[N-]O3)CCC2C1)[NH+]1CCC1	REAL300030795938	1	58	0.0	-73.26	414.96	4.82	-68.44
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1CCC[N@@H+]1C	REAL300030796145	0	49	0.0	-66.90	367.06	2.87	-64.03
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1CCC[N@H+]1C	REAL300030796145	1	49	0.0	-65.70	377.25	2.66	-63.04
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1C[N@H+](C)CCO1	REAL300030796169	1	50	0.0	-83.02	385.90	2.13	-80.89
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1C[N@@H+](C)CCO1	REAL300030796169	1	50	0.0	-74.10	378.21	1.86	-72.24
CC(C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)[NH+]1CCCCCC1	REAL300030796327	0	58	0.0	-64.58	417.54	4.09	-60.49
CC(C)[N@@H+]1CCCCC1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030796329	0	58	0.0	-62.44	421.00	4.22	-58.22
CC(C)[N@H+]1CCCCC1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030796329	1	58	0.0	-64.38	424.27	4.30	-60.08
CC(C)[N@@H+]1CCCC1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030796349	0	55	0.0	-66.98	400.63	4.22	-62.76
CC(C)[N@H+]1CCCC1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030796349	1	55	0.0	-65.00	412.84	3.91	-61.09
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1CC2CCCC[N@@H+]2C1	REAL300030796365	0	56	0.0	-66.48	418.07	4.68	-61.80
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1CC2CCCC[N@H+]2C1	REAL300030796365	1	56	0.0	-72.70	417.34	4.42	-68.28
CC(C)C1=[NH+]C=CN1CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030796383	1	53	0.0	-64.17	417.23	4.63	-59.54
CC1=[NH+]C=CN1CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030796410	1	47	0.0	-66.00	380.40	3.95	-62.05
CC(C[NH+]1CCOCC1)C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030796411	0	56	0.0	-64.47	417.69	2.49	-61.98
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CCC[NH+]1CCCCC1	REAL300030796426	0	58	0.0	-71.97	436.51	5.15	-66.82
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C(C)(C)[NH+]1CCCCC1	REAL300030796443	0	58	0.0	-66.60	412.79	4.14	-62.46
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1C[NH+]2CCC1CC2	REAL300030796451	0	53	0.0	-72.25	389.24	4.18	-68.07
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1CCCC2CCC[N@@H+]21	REAL300030796490	0	56	0.0	-64.57	406.80	4.98	-59.59
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1CCCC2CCC[N@H+]21	REAL300030796490	1	56	0.0	-64.77	403.14	4.06	-60.71
C[C@@H]1[C@H](C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)CC[N@@H+]1C	REAL300030796503	0	52	0.0	-73.72	386.61	3.36	-70.36
C[C@@H]1[C@H](C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)CC[N@H+]1C	REAL300030796503	1	52	0.0	-70.26	392.57	3.42	-66.84
CC[C@@H]1[C@@H](C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)CC[N@@H+]1C	REAL300030796507	0	55	0.0	-70.27	406.80	3.45	-66.82
CC[C@@H]1[C@@H](C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)CC[N@H+]1C	REAL300030796507	1	55	0.0	-70.69	407.61	3.83	-66.86
CC[N@@H+]1CCOC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300030796516	1	53	0.0	-68.26	393.30	2.79	-65.47
CC[N@H+]1CCOC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300030796516	1	53	0.0	-81.67	401.15	2.85	-78.82
CC[NH+](CC)CC(F)C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030796557	0	54	0.0	-71.38	409.54	3.48	-67.90
CC1CCC(C)[NH+]1CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030796617	0	55	0.0	-65.03	408.53	3.80	-61.23
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CCC[NH+]1CCCC1	REAL300030796623	0	55	0.0	-70.91	420.67	4.40	-66.51
C#CC[NH+]1CCC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)CC1	REAL300030796628	0	54	0.0	-73.27	416.43	5.04	-68.23
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CC[NH+]1CCCCC1	REAL300030796629	0	55	0.0	-71.11	415.01	4.32	-66.79
CC[N@@H+]1CCCCC1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030796634	0	55	0.0	-63.54	408.91	3.95	-59.59
CC[N@H+]1CCCCC1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030796634	1	55	0.0	-64.64	408.61	3.92	-60.72
CC(C)C[N@@H+]1CCC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300030796648	0	58	0.0	-70.53	434.98	4.68	-65.85
CC(C)C[N@H+]1CCC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300030796648	1	58	0.0	-69.66	432.27	5.11	-64.55
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1([NH+](C)C)CCC1	REAL300030796651	0	52	0.0	-71.93	379.97	2.68	-69.25
CC(C)[N@@H+]1CCCC1CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030796653	0	58	0.0	-61.55	419.54	4.09	-57.46
CC(C)[N@H+]1CCCC1CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030796653	1	58	0.0	-63.67	419.96	4.32	-59.35
CC(C)[C@@H](C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)[NH+](C)C	REAL300030796665	0	54	0.0	-67.13	395.87	3.39	-63.74
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C[N@H+](C)C1CCC1	REAL300030796706	0	52	0.0	-67.49	397.28	3.91	-63.58
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C[N@@H+](C)C1CCC1	REAL300030796706	1	52	0.0	-66.25	397.69	3.88	-62.37
CC(C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)[NH+]1C(C)CCC1C	REAL300030796759	0	58	0.0	-60.74	418.14	4.30	-56.44
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030796813	1	51	0.0	-65.37	397.07	3.64	-61.73
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030796813	1	51	0.0	-66.32	403.11	3.82	-62.50
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CCC1CCC[N@@H+]1C	REAL300030796818	0	55	0.0	-73.26	415.01	4.74	-68.52
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CCC1CCC[N@H+]1C	REAL300030796818	1	55	0.0	-75.19	420.07	4.34	-70.85
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C12CCC[NH+](CCC1)C2	REAL300030796827	0	56	0.0	-71.02	398.56	3.54	-67.48
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1CCC2CCCC[N@@H+]21	REAL300030796830	0	56	0.0	-64.40	415.47	4.73	-59.67
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1CCC2CCCC[N@H+]21	REAL300030796830	1	56	0.0	-64.23	415.81	4.67	-59.56
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CCCC[NH+]1CCCC1	REAL300030796846	0	58	0.0	-73.61	441.18	5.15	-68.46
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1CC[NH+](C)CC1	REAL300030796857	0	52	0.0	-72.49	391.76	3.89	-68.60
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300030796889	1	51	0.0	-78.30	407.71	3.24	-75.06
CC1=C(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C=CC2=C[NH+]=CN21	REAL300030796890	0	50	0.0	-71.39	399.92	5.83	-65.56
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1CCCC[N@@H+]1C	REAL300030796917	0	52	0.0	-68.08	385.91	3.03	-65.05
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1CCCC[N@H+]1C	REAL300030796917	1	52	0.0	-64.44	391.28	3.34	-61.10
CC(C)C[N@@H+]1CCCC1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030796937	0	58	0.0	-66.71	423.07	4.16	-62.55
CC(C)C[N@H+]1CCCC1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030796937	1	58	0.0	-65.96	432.54	5.30	-60.66
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300030797031	0	47	0.0	-76.69	385.80	5.19	-71.50
CC1=[NH+]C=CN1CCCC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030797039	1	53	0.0	-69.11	422.45	4.85	-64.26
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CC[NH+]1CCOCC1	REAL300030797043	1	53	0.0	-74.24	406.11	1.89	-72.35
CC1=C[NH+]=CN1CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030797070	1	47	0.0	-66.95	381.20	4.64	-62.31
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C12CCC[NH+]1CCC2	REAL300030797106	0	53	0.0	-62.94	388.47	3.98	-58.96
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1CCCC([NH+](C)C)C1	REAL300030797128	0	58	0.0	-64.47	419.23	4.41	-60.06
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CC1CC[N@H+](C)C1	REAL300030797131	0	52	0.0	-73.79	397.30	3.53	-70.26
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CC1CC[N@@H+](C)C1	REAL300030797131	1	52	0.0	-71.68	397.92	3.89	-67.79
CN(C)C1=CC=[NH+]C=C1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030797142	0	51	0.0	-79.55	398.28	2.11	-77.44
CCC(C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)[NH+](C)C	REAL300030797147	0	51	0.0	-68.82	380.22	2.88	-65.94
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CC1([NH+](C)C)CCCC1	REAL300030797158	0	58	0.0	-73.82	414.98	4.41	-69.41
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300030797194	1	47	0.0	-74.53	386.51	5.31	-69.22
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CCCC[NH+](C)C	REAL300030797240	0	54	0.0	-73.44	416.21	4.00	-69.44
CC(C)C(C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)[NH+](C)C	REAL300030797259	0	54	0.0	-66.66	393.73	3.40	-63.26
CCC[N@H+](C)CCC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030797261	0	54	0.0	-72.69	413.07	3.91	-68.78
CCC[N@@H+](C)CCC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030797261	1	54	0.0	-72.16	412.44	3.83	-68.33
CCC[N@H+](C)CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030797266	0	51	0.0	-69.21	390.39	3.35	-65.86
CCC[N@@H+](C)CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030797266	1	51	0.0	-68.54	390.71	3.30	-65.24
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C12CC[N@H+](C1)CCC2	REAL300030797287	0	53	0.0	-70.55	383.90	2.62	-67.93
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C12CC[N@@H+](C1)CCC2	REAL300030797287	1	53	0.0	-71.26	383.94	2.77	-68.49
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300030797320	0	49	0.0	-65.69	373.84	3.03	-62.66
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)[C@H]1CCC[N@H+]1C	REAL300030797320	1	49	0.0	-68.21	370.14	2.44	-65.77
CCCCCC[N@H+](C)CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030797369	0	60	0.0	-70.45	454.88	5.70	-64.75
CCCCCC[N@@H+](C)CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030797369	1	60	0.0	-69.74	455.20	5.64	-64.10
CC[NH+](CC)C(C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(C)C	REAL300030797373	0	60	0.0	-64.35	431.78	4.26	-60.09
CC[NH+](CC)CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030797381	0	51	0.0	-67.50	382.35	2.90	-64.60
CCC[N@@H+]1CCCC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300030797412	0	58	0.0	-62.32	424.60	4.85	-57.47
CCC[N@H+]1CCCC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300030797412	1	58	0.0	-62.20	424.54	4.81	-57.39
CC(C)[N@@H+]1CCOC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300030797427	0	56	0.0	-74.42	418.63	3.66	-70.76
CC(C)[N@H+]1CCOC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300030797427	1	56	0.0	-71.18	411.02	3.45	-67.73
CC1CC[NH+](CC(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)CC1	REAL300030797455	0	55	0.0	-67.29	413.67	4.64	-62.65
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)COC1CC[NH+](C)CC1	REAL300030797480	0	56	0.0	-79.89	431.43	4.07	-75.82
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1(C[NH+](C)C)CC1	REAL300030797490	0	52	0.0	-68.29	398.69	3.50	-64.79
CC(C)[NH+]1CCC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)CC1	REAL300030797558	0	58	0.0	-69.75	426.07	5.07	-64.68
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1CC[NH+](C)CC1	REAL300030797575	0	52	0.0	-72.49	391.76	3.89	-68.60
CC(C)[C@H](C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)[NH+](C)C	REAL300030797593	0	54	0.0	-66.67	394.04	3.48	-63.19
CCC(C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)[NH+](CC)CC	REAL300030797623	0	57	0.0	-62.44	413.37	4.01	-58.43
CC[N@H+](C)CCC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030797677	0	51	0.0	-69.75	391.56	3.52	-66.23
CC[N@@H+](C)CCC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030797677	1	51	0.0	-71.87	391.58	3.15	-68.72
CC1CCC[N@@H+]1CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030797728	0	52	0.0	-65.78	396.98	3.97	-61.81
CC1CCC[N@H+]1CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030797728	1	52	0.0	-65.45	389.55	3.21	-62.24
CC1CC[N@H+](CC(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300030797730	0	52	0.0	-67.75	396.30	3.98	-63.77
CC1CC[N@@H+](CC(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300030797730	1	52	0.0	-68.00	396.39	3.94	-64.06
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300030797734	0	55	0.0	-68.05	416.49	4.55	-63.50
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C[N@H+]1CCC(C)(C)C1	REAL300030797734	1	55	0.0	-68.06	416.76	4.58	-63.48
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C[N@H+](C)CC(C)(C)C	REAL300030797735	0	57	0.0	-68.03	421.29	4.33	-63.70
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C[N@@H+](C)CC(C)(C)C	REAL300030797735	1	57	0.0	-69.16	418.41	4.33	-64.83
CC[C@@H](C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)[NH+](C)C	REAL300030797743	0	51	0.0	-66.86	382.62	2.82	-64.04
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CC1(O)CC[NH+](C)CC1	REAL300030797892	0	56	0.0	-73.58	423.09	2.22	-71.36
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C[NH+](C)C	REAL300030797903	0	45	0.0	-69.41	350.85	1.83	-67.58
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C[NH+]1CCC(CO)CC1	REAL300030797907	0	56	0.0	-72.58	424.88	1.08	-71.50
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C[NH+]1CCCCCC1	REAL300030797908	0	55	0.0	-69.10	403.70	3.87	-65.23
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C[N+]1=CN(C)C=C1	REAL300030797912	0	47	0.0	-66.08	382.08	5.34	-60.74
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1CCC[N@H+](C)C1	REAL300030797919	0	52	0.0	-64.16	384.59	3.47	-60.69
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1CCC[N@@H+](C)C1	REAL300030797919	1	52	0.0	-71.37	391.68	3.20	-68.17
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1CCC[N@@H+]1C1CC1	REAL300030797924	0	53	0.0	-63.89	406.65	4.25	-59.64
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1CCC[N@H+]1C1CC1	REAL300030797924	1	53	0.0	-66.85	396.67	3.59	-63.26
CC(C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)[NH+]1CCC1	REAL300030797948	1	49	0.0	-66.91	377.48	2.88	-64.03
CCC(CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C[NH+](C)C	REAL300030797952	0	57	0.0	-72.09	421.54	4.38	-67.71
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C(C)(C)C[NH+](C)C	REAL300030797959	0	54	0.0	-63.03	387.84	3.07	-59.96
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300030797975	0	54	0.0	-68.55	404.31	4.10	-64.45
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300030797975	1	54	0.0	-64.10	398.14	4.55	-59.55
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C[NH+]1CCC(O)CC1	REAL300030797983	1	53	0.0	-71.41	403.91	0.68	-70.73
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C[N@H+](C)C1CC1	REAL300030797984	0	49	0.0	-66.04	380.87	3.31	-62.73
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C[N@@H+](C)C1CC1	REAL300030797984	1	49	0.0	-65.80	380.11	3.24	-62.56
CC(C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)N1CC[NH+](C)CC1	REAL300030797985	1	57	0.0	-68.65	417.50	1.77	-66.88
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CC1C[NH+](C)C1	REAL300030798003	0	49	0.0	-71.64	382.29	2.68	-68.96
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1CC[N@@H+]1C1CCCC1	REAL300030798007	0	56	0.0	-68.51	422.52	5.14	-63.37
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1CC[N@H+]1C1CCCC1	REAL300030798007	1	56	0.0	-66.91	412.71	4.59	-62.32
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300030798015	0	55	0.0	-65.90	413.52	3.36	-62.54
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1CC[N@H+]1C(C)(C)C	REAL300030798015	1	55	0.0	-66.99	412.60	3.45	-63.54
C[C@@H](C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)[NH+](C)C	REAL300030798026	0	48	0.0	-66.50	364.90	2.08	-64.42
CCC1CCC[N@H+](CC(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300030798061	0	58	0.0	-69.41	425.09	4.85	-64.56
CCC1CCC[N@@H+](CC(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300030798061	1	58	0.0	-69.00	432.12	4.90	-64.10
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1=CC=C(C[NH+](C)C)N1	REAL300030798068	0	53	0.0	-86.97	413.82	3.62	-83.35
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CN1C=CSC1=[NH2+]	REAL300030798109	0	45	0.0	-65.10	378.59	2.07	-63.03
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CC[N@H+](C)CCO	REAL300030798119	0	52	0.0	-70.91	401.29	-0.13	-71.04
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CC[N@@H+](C)CCO	REAL300030798119	1	52	0.0	-69.17	401.83	0.33	-68.84
C[C@@H](C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)[NH+](C)C	REAL300030798120	0	48	0.0	-66.50	364.90	2.08	-64.42
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)[C@H]1CCCC[N@@H+]1C	REAL300030798124	0	52	0.0	-64.90	391.71	3.52	-61.38
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)[C@H]1CCCC[N@H+]1C	REAL300030798124	1	52	0.0	-70.62	383.68	3.03	-67.59
CC1CN2CC[N@@H+]1CC2C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030798132	0	55	0.0	-72.98	401.64	0.41	-72.57
CC1CN2CC[N@H+]1CC2C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030798132	1	55	0.0	-74.57	400.15	0.33	-74.24
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CC1=CC2=C[NH+]=CN2C=C1	REAL300030798173	0	50	0.0	-68.50	405.25	6.05	-62.45
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C[N@H+](C)C1CCSC1	REAL300030798195	0	53	0.0	-75.58	410.18	4.05	-71.53
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C[N@@H+](C)C1CCSC1	REAL300030798195	1	53	0.0	-73.67	410.77	4.49	-69.18
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C[NH+]1CCC1	REAL300030798196	1	46	0.0	-67.60	361.57	2.68	-64.92
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C=C1CC[N@H+](C)C1	REAL300030798224	0	50	0.0	-74.81	389.49	3.46	-71.35
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C=C1CC[N@@H+](C)C1	REAL300030798224	1	50	0.0	-74.63	389.52	3.46	-71.17
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)COCC[NH+](C)C	REAL300030798257	0	52	0.0	-69.31	406.72	2.95	-66.36
CCCCC[N@H+](C)CCC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030798262	0	60	0.0	-71.37	456.06	5.83	-65.54
CCCCC[N@@H+](C)CCC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030798262	1	60	0.0	-73.04	455.44	5.40	-67.64
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300030798271	0	56	0.0	-72.91	426.70	3.72	-69.19
C=CCC(C)(C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)[NH+](C)C	REAL300030798278	0	55	0.0	-61.60	397.46	3.31	-58.29
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C(O)CC[S+](C)C	REAL300030798282	0	51	0.0	-74.03	411.94	1.31	-72.72
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1(C)CC(O)C[N@@H+]1C	REAL300030798307	0	53	0.0	-74.93	387.77	0.45	-74.48
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1CN(C)CC[N@H+](C)C1	REAL300030798317	0	57	0.0	-67.65	417.27	1.79	-65.86
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1CN(C)CC[N@@H+](C)C1	REAL300030798317	1	57	0.0	-67.65	417.27	1.79	-65.86
CC(C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)[N@@H+]1CCCC(O)C1	REAL300030798318	0	56	0.0	-65.97	418.30	1.05	-64.92
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CC1(O)CCC[N@H+](C)C1	REAL300030798336	0	56	0.0	-65.44	412.16	2.35	-63.09
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CC1(O)CCC[N@@H+](C)C1	REAL300030798336	1	56	0.0	-65.44	412.16	2.35	-63.09
CC1CN(CC(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300030798339	0	49	0.0	-70.19	381.23	3.10	-67.09
CC1C[NH+](CC(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300030798339	1	49	0.0	-70.19	381.23	3.10	-67.09
CN(CCO)CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030798365	0	49	0.0	-69.46	379.55	-0.67	-70.13
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C[N@H+](C)CCO	REAL300030798365	1	49	0.0	-69.56	379.31	-0.63	-70.19
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C[N@@H+](C)CCO	REAL300030798365	1	49	0.0	-69.56	379.31	-0.63	-70.19
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1C[N@@H+]2CCN1CCC2	REAL300030798387	0	55	0.0	-75.15	394.68	1.24	-73.91
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1C[N@H+]2CCN1CCC2	REAL300030798387	1	55	0.0	-75.15	394.68	1.24	-73.91
CC[N@@H+]1CCCC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300030798393	0	55	0.0	-62.57	401.49	4.40	-58.17
CC[N@H+]1CCCC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300030798393	1	55	0.0	-62.57	401.49	4.40	-58.17
CC(CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C[NH+](C)C	REAL300030798395	0	54	0.0	-72.64	407.64	3.88	-68.76
CC[N@H+](C)CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030798405	0	48	0.0	-68.34	369.21	2.56	-65.78
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C12CCC[N@@H+]1CCCC2	REAL300030798426	0	56	0.0	-64.74	399.41	3.67	-61.07
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C12CCC[N@H+]1CCCC2	REAL300030798426	1	56	0.0	-64.74	399.41	3.67	-61.07
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C12CCC[N@@H+]1CC=CC2	REAL300030798431	0	54	0.0	-63.25	390.60	4.00	-59.25
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C12CCC[N@H+]1CC=CC2	REAL300030798431	1	54	0.0	-63.25	390.60	4.00	-59.25
CC[N@H+](CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C1CC1	REAL300030798451	0	52	0.0	-66.13	396.66	3.84	-62.29
CC[NH+](CC)CCC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030798466	0	54	0.0	-70.53	408.27	3.77	-66.76
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CN1CC(C)(C)C1	REAL300030798486	0	52	0.0	-68.94	402.03	3.89	-65.05
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C[NH+]1CC(C)(C)C1	REAL300030798486	1	52	0.0	-68.94	402.03	3.89	-65.05
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300030798510	0	53	0.0	-69.45	407.35	0.69	-68.76
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C=CC[NH+](C)C	REAL300030798517	0	49	0.0	-75.70	387.25	3.10	-72.60
CC(OCC[NH+](C)C)C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030798536	0	55	0.0	-71.03	422.31	3.42	-67.61
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CCOCC[NH+](C)C	REAL300030798544	0	55	0.0	-72.02	427.67	2.66	-69.36
COCCN(C)CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030798545	0	52	0.0	-69.27	401.56	1.77	-67.50
COCC[N@H+](C)CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030798545	1	52	0.0	-69.68	401.81	1.73	-67.95
COCC[N@@H+](C)CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030798545	1	52	0.0	-69.68	401.81	1.73	-67.95
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1([NH+](C)C)CCCC1	REAL300030798574	0	55	0.0	-69.09	392.80	3.65	-65.44
CC(CCC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)[NH+](C)C	REAL300030798577	0	54	0.0	-70.40	408.22	3.60	-66.80
CCN1CCC1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030798584	0	49	0.0	-68.91	382.31	2.72	-66.19
CC[N@@H+]1CCC1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030798584	1	49	0.0	-64.95	374.99	2.84	-62.11
CC[N@H+]1CCC1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030798584	1	49	0.0	-64.95	374.99	2.84	-62.11
CC(C)[N@@H+]1CCCC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300030798594	0	58	0.0	-68.51	426.07	4.43	-64.08
CC(C)[N@H+]1CCCC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300030798594	1	58	0.0	-68.51	426.07	4.43	-64.08
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C[N@@H+]1CCCC1CO	REAL300030798606	0	53	0.0	-67.40	405.32	0.80	-66.60
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1CC2CCCC[N@@H+]2C1	REAL300030798628	0	56	0.0	-72.70	417.34	4.42	-68.28
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1CC2CCCC[N@H+]2C1	REAL300030798628	1	56	0.0	-72.70	417.34	4.42	-68.28
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1(C)CC[NH+](C)CC1	REAL300030798634	0	55	0.0	-66.96	398.95	4.02	-62.94
C=CCC(C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)[NH+](C)C	REAL300030798661	0	52	0.0	-69.04	395.27	3.31	-65.73
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300030798671	0	55	0.0	-65.98	411.17	3.44	-62.54
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1CC(C)(C)C[N@H+]1C	REAL300030798671	1	55	0.0	-65.98	411.17	3.44	-62.54
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CCCCC[NH+](C)C	REAL300030798674	0	57	0.0	-72.86	437.71	4.79	-68.07
CC1C[N@@H+]2CCN1C(C(=O)N(C)CC1CN(C(=O)C3=CC(=O)[N-]O3)CCO1)C2	REAL300030798707	0	55	0.0	-74.33	400.38	0.52	-73.81
CCCC(C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)[NH+](C)C	REAL300030798708	0	54	0.0	-67.37	402.96	3.63	-63.74
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C(C)(C)[NH+](C)C	REAL300030798712	0	51	0.0	-70.31	371.06	2.46	-67.85
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1CCCC[N@@H+]1C	REAL300030798750	0	52	0.0	-64.44	391.28	3.34	-61.10
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CC1=CC[N@H+](C)CC1	REAL300030798783	0	53	0.0	-67.42	409.80	4.60	-62.82
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CC1=CC[N@@H+](C)CC1	REAL300030798783	1	53	0.0	-67.42	409.80	4.60	-62.82
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CC1([NH+]2CCCC2)CC1	REAL300030798792	0	56	0.0	-65.24	416.50	5.00	-60.24
CN(C)CC1=CC=C(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)O1	REAL300030798834	0	52	0.0	-80.20	412.24	3.68	-76.52
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300030798834	1	52	0.0	-80.20	412.24	3.68	-76.52
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C=CC[NH+]1CCCC1	REAL300030798850	0	53	0.0	-74.19	412.33	4.27	-69.92
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1CC[NH+](C2CC2)CC1	REAL300030798870	0	56	0.0	-74.44	415.96	4.49	-69.95
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1([NH+](C)C)CC1	REAL300030798888	0	49	0.0	-71.79	372.65	3.28	-68.51
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CC[NH+]1CCCC1	REAL300030798890	0	52	0.0	-72.15	399.07	3.61	-68.54
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1C[NH+]2CCN1CC2	REAL300030798923	0	52	0.0	-77.82	386.07	-0.13	-77.95
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C12CC(C1)C[N@@H+]2C	REAL300030798932	0	50	0.0	-68.43	378.45	2.85	-65.58
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C12CC(C1)C[N@H+]2C	REAL300030798932	1	50	0.0	-69.25	378.00	3.00	-66.25
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C[N@@H+]1CC2CCC1C2	REAL300030798944	0	53	0.0	-67.63	399.41	3.94	-63.69
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C[N@H+]1CC2CCC1C2	REAL300030798944	1	53	0.0	-66.55	398.07	3.89	-62.66
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C=C1C[NH+]2CCC1CC2	REAL300030798981	0	54	0.0	-63.92	406.78	4.30	-59.62
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C[N@@H+]1CC2C=CC1C2	REAL300030798991	1	51	0.0	-65.20	389.98	3.79	-61.41
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C[N@H+]1CC2C=CC1C2	REAL300030798991	1	51	0.0	-67.56	390.62	3.92	-63.64
CC[NH+]1CCN(CC(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)CC1	REAL300030799020	0	57	0.0	-67.78	427.84	1.94	-65.84
CC(C[NH+](C)C)C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030799036	0	51	0.0	-71.95	384.96	2.91	-69.04
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CC1CCCC[N@@H+]1C	REAL300030799101	0	55	0.0	-61.19	402.90	4.03	-57.16
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CC1CCCC[N@H+]1C	REAL300030799101	1	55	0.0	-62.04	402.94	4.43	-57.61
CC1=C2C=C(C(=O)N(C)CC3CN(C(=O)C4=CC(=O)[N-]O4)CCO3)C=CN2C=[NH+]1	REAL300030799117	1	50	0.0	-75.53	407.85	5.79	-69.74
CC(C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)[NH+]1CC(C)C1	REAL300030799118	0	52	0.0	-66.24	395.31	3.27	-62.97
CC1CC[N@@H+]1CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030799121	1	49	0.0	-67.93	382.53	3.43	-64.50
CC1CC[N@H+]1CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030799121	1	49	0.0	-67.24	376.85	2.72	-64.52
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CC(O)C[NH+](C)C	REAL300030799124	0	52	0.0	-75.69	403.46	0.90	-74.79
CC1C[N@H+](C)CC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)O1	REAL300030799150	1	53	0.0	-79.35	399.12	2.79	-76.56
CC1C[N@@H+](C)CC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)O1	REAL300030799150	1	53	0.0	-79.78	399.11	2.58	-77.20
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CC[NH+]1CCC(O)CC1	REAL300030799159	0	56	0.0	-74.50	426.10	0.99	-73.51
CCC[N@@H+]1CCCCC1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030799161	0	58	0.0	-62.73	430.12	5.06	-57.67
CCC[N@H+]1CCCCC1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030799161	1	58	0.0	-69.30	424.21	4.53	-64.77
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300030799225	0	52	0.0	-71.68	400.13	3.60	-68.08
CC(CC[NH+](C)C)C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030799233	0	54	0.0	-72.25	406.60	3.53	-68.72
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300030799253	0	56	0.0	-67.32	421.65	1.42	-65.90
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O	REAL300030799253	1	56	0.0	-64.67	421.20	1.06	-63.61
C#CC[N@H+]1CCCCC1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030799259	1	54	0.0	-65.47	408.38	4.35	-61.12
C#CC[N@@H+]1CCCCC1C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030799259	1	54	0.0	-67.76	409.79	4.48	-63.28
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CN1CC[NH+](C)CC1	REAL300030799262	1	54	0.0	-70.01	410.48	1.40	-68.61
CC[NH+]1CCN(CC(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)CC1	REAL300030799271	0	57	0.0	-67.78	427.84	1.94	-65.84
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CSC(N)=[NH2+]	REAL300030799294	0	43	0.0	-72.53	358.77	-1.15	-73.68
CC[N@@H+]1CCOCC1CC(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030799327	0	56	0.0	-71.77	414.34	2.58	-69.19
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1CCC([NH+](C)C)CC1	REAL300030799342	0	58	0.0	-66.11	419.25	4.87	-61.24
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1(CC[NH+](C)C)CC1	REAL300030799343	0	55	0.0	-70.33	419.98	4.99	-65.34
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300030799345	0	58	0.0	-68.79	418.80	4.66	-64.13
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CC1CC=CC[N@@H+]1C	REAL300030799346	0	53	0.0	-74.51	402.39	3.98	-70.53
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CC1CC=CC[N@H+]1C	REAL300030799346	1	53	0.0	-74.51	402.39	3.98	-70.53
C[C@@H](OCC[NH+](C)C)C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300030799367	0	55	0.0	-69.69	423.54	3.37	-66.32
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1CC2CCC(C1)[NH+]2C	REAL300030799392	0	56	0.0	-71.09	387.08	3.87	-67.22
CC(C(=O)N(C)CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)[NH+]1CCSCC1	REAL300030799490	1	53	0.0	-72.52	401.13	3.56	-68.96
CCC1C[NH+](CC(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300030799492	1	52	0.0	-70.02	403.78	3.74	-66.28
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1([NH+]2CCCC2)CCC1	REAL300030799494	0	56	0.0	-67.97	407.86	3.91	-64.06
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300030799501	1	49	0.0	-65.43	373.58	3.19	-62.24
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CC[N@H+]1CCC(F)C1	REAL300030799508	1	52	0.0	-73.86	405.15	4.18	-69.68
COC1C[N@@H+](C)C(C)(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C1	REAL300030799516	1	56	0.0	-73.29	412.79	2.10	-71.19
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CC[NH+]1CCCCCC1	REAL300030799524	0	58	0.0	-72.79	425.31	4.48	-68.31
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C[NH+]1CCCCC1	REAL300030799526	0	52	0.0	-68.59	393.19	3.76	-64.83
CC1C(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)CC[N@@H+]1C	REAL300030799536	0	52	0.0	-70.91	388.28	3.17	-67.74
CC1C(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)CC[N@H+]1C	REAL300030799536	1	52	0.0	-68.42	390.39	2.92	-65.50
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CCC1CCCC[N@@H+]1C	REAL300030799538	0	58	0.0	-69.16	432.54	5.32	-63.84
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CCC1CCCC[N@H+]1C	REAL300030799538	1	58	0.0	-69.71	432.54	4.92	-64.79
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1CC[N@@H+]2CCOCC12	REAL300030799560	0	54	0.0	-74.44	406.24	2.07	-72.37
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1CC[N@H+]2CCOCC12	REAL300030799560	1	54	0.0	-66.16	402.61	1.98	-64.18
CC1=[NH+]C=C2C=CC(C(=O)N(C)CC3CN(C(=O)C4=CC(=O)[N-]O4)CCO3)=CN21	REAL300030799565	0	50	0.0	-69.47	399.49	4.81	-64.66
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CC1COCCN1C	REAL300030799578	0	53	0.0	-78.60	402.36	1.57	-77.03
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CC1COCC[N@@H+]1C	REAL300030799578	1	53	0.0	-64.41	394.27	1.84	-62.57
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CC1COCC[N@H+]1C	REAL300030799578	1	53	0.0	-78.60	402.36	1.57	-77.03
CC1=C(C)[NH+]=C(CCC(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)N1	REAL300030799585	1	53	0.0	-66.18	421.71	3.23	-62.95
CN(CC1CN(C(=O)C2CCC[N@H+]2C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030799755	1	49	0.0	-73.25	369.77	3.12	-70.13
CN(CC1CN(C(=O)C2CN(C)CCO2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030799781	0	50	0.0	-81.19	385.18	2.21	-78.98
CN(CC1CN(C(=O)C2C[N@H+](C)CCO2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030799781	1	50	0.0	-91.08	385.10	2.88	-88.20
CN(CC1CN(C(=O)C2C[N@@H+](C)CCO2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030799781	1	50	0.0	-81.19	385.18	2.21	-78.98
CC1=[NH+]C=CN1CCCC(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030799940	1	53	0.0	-71.04	422.82	4.88	-66.16
CN(CC1CN(C(=O)CC[NH+]2CCOCC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030799944	1	53	0.0	-78.99	406.12	2.67	-76.32
CN(CC1CN(C(=O)C23CCC[NH+]2CCC3)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030799967	0	53	0.0	-71.41	384.06	3.33	-68.08
CN(CC1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030799975	1	47	0.0	-78.58	387.94	5.24	-73.34
CN(CC1CN(C(=O)C2CCCC([NH+](C)C)C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030800025	0	58	0.0	-74.82	428.07	4.74	-70.08
CN(CC1CN(C(=O)CC2CC[N@H+](C)C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030800028	0	52	0.0	-76.84	398.49	4.28	-72.56
CN(CC1CN(C(=O)CC2CC[N@@H+](C)C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030800028	1	52	0.0	-76.47	398.55	4.26	-72.21
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030800039	0	51	0.0	-82.05	402.34	1.85	-80.20
CCC(C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030800044	0	51	0.0	-70.08	379.36	2.76	-67.32
CN(CC1CN(C(=O)CCCC[NH+](C)C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030800098	0	54	0.0	-76.88	418.23	4.03	-72.85
CC(C)C(C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030800119	0	54	0.0	-72.88	393.19	3.51	-69.37
CCC[N@H+](C)CCC(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030800121	0	54	0.0	-75.78	413.45	3.94	-71.84
CCC[N@@H+](C)CCC(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030800121	1	54	0.0	-76.05	414.47	3.88	-72.17
CCC[N@H+](C)CC(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030800126	0	51	0.0	-72.40	391.09	3.33	-69.07
CCC[N@@H+](C)CC(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030800126	1	51	0.0	-72.55	391.10	3.32	-69.23
CN(CC1CN(C(=O)C23CC[N@H+](C2)CCC3)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030800147	0	53	0.0	-79.23	383.44	2.86	-76.37
CN(CC1CN(C(=O)C23CC[N@@H+](C2)CCC3)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030800147	1	53	0.0	-75.78	385.36	2.84	-72.94
CCCCCC[N@H+](C)CC(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030800172	0	60	0.0	-73.65	455.59	5.67	-67.98
CCCCCC[N@@H+](C)CC(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030800172	1	60	0.0	-74.13	456.52	5.59	-68.54
CC[NH+](CC)C(C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300030800176	0	60	0.0	-71.03	422.45	4.86	-66.17
CC1CC[NH+](CC(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030800206	0	55	0.0	-72.78	414.44	4.40	-68.38
CN(CC1CN(C(=O)COC2CC[NH+](C)CC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030800231	0	56	0.0	-80.22	431.80	4.09	-76.13
CN(CC1CN(C(=O)C2CC3CCCC[N@@H+]3C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030800270	0	56	0.0	-74.22	415.93	4.71	-69.51
CN(CC1CN(C(=O)C2CC3CCCC[N@H+]3C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030800270	1	56	0.0	-77.77	415.99	4.50	-73.27
CN(CC1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030800280	0	52	0.0	-67.53	401.08	3.46	-64.07
CC(C)[NH+]1CCC(C(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030800291	0	58	0.0	-75.50	431.53	4.60	-70.90
CC[N@H+](C)CCC(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030800311	0	51	0.0	-75.01	391.95	3.20	-71.81
CC[N@@H+](C)CCC(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030800311	1	51	0.0	-74.94	391.95	3.20	-71.74
CN(CC1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030800333	0	58	0.0	-75.80	415.05	4.28	-71.52
CN(CC1CN(C(=O)C2C[NH+]3CCC2CC3)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030800341	0	53	0.0	-82.41	389.31	3.44	-78.97
CN(CC1CN(C(=O)C2CC[NH+](C)CC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030800411	0	52	0.0	-76.68	397.04	3.42	-73.26
CC(C)[C@H](C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030800429	0	54	0.0	-68.79	395.28	3.44	-65.35
CC[NH+](CC)CC(F)C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030800513	0	54	0.0	-75.57	411.03	3.60	-71.97
CC(C)C[N@@H+]1CCC(C(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030800542	0	58	0.0	-79.85	434.74	5.56	-74.29
CC(C)C[N@H+]1CCC(C(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030800542	1	58	0.0	-74.02	435.63	5.06	-68.96
CN(CC1CN(C(=O)C2([NH+](C)C)CCC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030800545	0	52	0.0	-70.23	376.36	2.92	-67.31
CCC(C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030800575	0	57	0.0	-71.73	414.02	4.27	-67.46
CC1CCC[N@@H+]1CC(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030800594	0	52	0.0	-70.82	390.33	3.53	-67.29
CC1CCC[N@H+]1CC(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030800594	1	52	0.0	-71.00	389.49	3.99	-67.01
CC(C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300030800644	0	58	0.0	-68.15	421.00	4.31	-63.84
CC(C)[N@@H+]1CCCCC1C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030800646	0	58	0.0	-66.71	423.76	4.29	-62.42
CC(C)[N@H+]1CCCCC1C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030800646	1	58	0.0	-67.51	421.67	5.04	-62.47
CC(C)[N@@H+]1CCCC1C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030800666	0	55	0.0	-68.53	407.88	3.76	-64.77
CC(C)[N@H+]1CCCC1C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030800666	1	55	0.0	-67.49	407.19	3.69	-63.80
CC(C)[N@@H+]1CCCC1CC(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030800672	0	58	0.0	-67.29	423.30	4.09	-63.20
CC(C)[N@H+]1CCCC1CC(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030800672	1	58	0.0	-68.05	420.36	4.26	-63.79
CC(C)[C@@H](C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030800684	0	54	0.0	-73.92	394.88	3.37	-70.55
CC1CC[N@H+](CC(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030800703	0	52	0.0	-71.91	398.16	3.52	-68.39
CC1CC[N@@H+](CC(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030800703	1	52	0.0	-71.96	398.85	3.57	-68.39
CN(CC1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030800707	0	55	0.0	-71.88	417.39	4.16	-67.72
CN(CC1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030800707	1	55	0.0	-71.83	417.12	4.21	-67.62
CN(CC1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030800708	0	57	0.0	-72.51	423.10	4.42	-68.09
CN(CC1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030800708	1	57	0.0	-72.30	419.00	4.31	-67.99
CC[C@@H](C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030800716	0	51	0.0	-70.00	379.25	2.75	-67.25
CC1=[NH+]C=CN1CC(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030800892	1	47	0.0	-68.74	381.19	3.41	-65.33
CC(C[NH+]1CCOCC1)C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030800893	0	56	0.0	-75.89	421.02	2.45	-73.44
CN(CC1CN(C(=O)CCC[NH+]2CCCCC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030800908	0	58	0.0	-74.99	438.37	5.14	-69.85
CN(CC1CN(C(=O)C2=NOC(C[NH+](C)C)=C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030800922	1	51	0.0	-79.65	406.79	3.19	-76.46
CC1=C(C(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300030800923	0	50	0.0	-78.06	404.46	5.56	-72.50
CC(C)C1=[NH+]C=CN1CC(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030800954	1	53	0.0	-69.42	416.49	5.34	-64.08
CN(CC1CN(C(=O)C2CCCC3CCC[N@@H+]32)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030800985	0	56	0.0	-70.20	404.24	4.72	-65.48
CN(CC1CN(C(=O)C2CCCC3CCC[N@H+]32)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030800985	1	56	0.0	-67.24	405.96	3.88	-63.36
CC[N@@H+]1CCOC(C(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030801000	1	53	0.0	-75.22	395.62	2.70	-72.52
CC[N@H+]1CCOC(C(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030801000	1	53	0.0	-73.05	395.70	2.75	-70.30
CN(CC1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801049	0	47	0.0	-74.23	379.28	5.04	-69.19
CC1=C[NH+]=CN1CC(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030801054	1	47	0.0	-73.54	380.60	4.95	-68.59
C[C@@H]1[C@H](C(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030801067	0	52	0.0	-77.43	386.80	3.63	-73.80
C[C@@H]1[C@H](C(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030801067	1	52	0.0	-72.67	388.78	3.50	-69.17
CC[C@@H]1[C@@H](C(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030801071	0	55	0.0	-75.59	408.23	3.64	-71.95
CC[C@@H]1[C@@H](C(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030801071	1	55	0.0	-74.72	409.89	3.86	-70.86
CC1CCC(C)[NH+]1CC(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030801082	0	55	0.0	-68.38	410.20	3.77	-64.61
CN(CC1CN(C(=O)CCC[NH+]2CCCC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801088	0	55	0.0	-74.77	421.12	4.34	-70.43
C#CC[NH+]1CCC(C(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030801094	0	54	0.0	-73.74	419.65	4.47	-69.27
CN(CC1CN(C(=O)CC[NH+]2CCCCC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801095	0	55	0.0	-74.59	416.88	4.35	-70.24
CC[N@@H+]1CCCCC1C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030801101	0	55	0.0	-71.27	402.53	3.82	-67.45
CC[N@H+]1CCCCC1C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030801101	1	55	0.0	-65.39	410.20	4.03	-61.36
CN(CC1CN(C(=O)CC2([NH+](C)C)CCCC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801138	0	58	0.0	-76.51	415.72	4.41	-72.10
CN(CC1CN(C(=O)C[N@H+](C)C2CCC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801269	0	52	0.0	-70.75	398.95	3.81	-66.94
CN(CC1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801269	1	52	0.0	-69.74	397.96	3.90	-65.84
CC(C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300030801291	0	58	0.0	-68.18	420.81	4.47	-63.71
CN(CC1CN(C(=O)CCCC[NH+]2CCCC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801303	0	58	0.0	-75.19	443.18	5.28	-69.91
CN(CC1CN(C(=O)C2CC[NH+](C)CC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801314	0	52	0.0	-76.68	397.04	3.42	-73.26
CN(CC1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801351	0	49	0.0	-66.19	377.19	2.88	-63.31
CN(CC1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801351	1	49	0.0	-73.45	370.03	2.49	-70.96
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030801373	1	51	0.0	-70.65	396.00	4.37	-66.28
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030801373	1	51	0.0	-70.99	399.96	4.25	-66.74
CN(CC1CN(C(=O)CCC2CCC[N@@H+]2C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801378	0	55	0.0	-73.18	413.72	4.05	-69.13
CN(CC1CN(C(=O)CCC2CCC[N@H+]2C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801378	1	55	0.0	-76.11	419.52	4.51	-71.60
CN(CC1CN(C(=O)C23CCC[NH+](CCC2)C3)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801387	0	56	0.0	-71.55	400.35	3.60	-67.95
CN(CC1CN(C(=O)C2CCC3CCCC[N@@H+]32)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801390	0	56	0.0	-67.29	416.92	4.56	-62.73
CN(CC1CN(C(=O)C2CCC3CCCC[N@H+]32)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801390	1	56	0.0	-67.47	412.40	4.33	-63.14
CCC[N@@H+]1CCCC(C(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030801454	0	58	0.0	-66.71	425.16	4.93	-61.78
CCC[N@H+]1CCCC(C(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030801454	1	58	0.0	-73.00	431.95	4.75	-68.25
CC(C)[N@@H+]1CCOC(C(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030801469	1	56	0.0	-78.48	419.05	3.54	-74.94
CC(C)[N@H+]1CCOC(C(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030801469	1	56	0.0	-78.83	419.20	4.02	-74.81
CN(CC1CN(C(=O)C2CCCC[N@@H+]2C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801491	0	52	0.0	-70.74	392.02	3.49	-67.25
CN(CC1CN(C(=O)C2CCCC[N@H+]2C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801491	1	52	0.0	-70.58	392.04	4.21	-66.37
CC(C)C[N@@H+]1CCCC1C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030801512	0	58	0.0	-70.11	430.58	4.45	-65.66
CC(C)C[N@H+]1CCCC1C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030801512	1	58	0.0	-69.64	434.19	4.87	-64.77
CN(CC1CN(C(=O)C[NH+]2CCC(CO)CC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801526	0	56	0.0	-73.77	425.27	1.08	-72.69
CC1C(C(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030801567	0	52	0.0	-74.04	394.56	3.30	-70.74
CC1C(C(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030801567	1	52	0.0	-78.99	387.49	3.02	-75.97
CN(CC1CN(C(=O)CCC2CCCC[N@@H+]2C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801569	0	58	0.0	-76.11	426.04	4.74	-71.37
CN(CC1CN(C(=O)CCC2CCCC[N@H+]2C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801569	1	58	0.0	-74.05	433.33	4.99	-69.06
CN(CC1CN(C(=O)C2CC[N@@H+]2C(C)(C)C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801651	0	55	0.0	-70.08	395.85	3.17	-66.91
CN(CC1CN(C(=O)C2CC[N@H+]2C(C)(C)C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801651	1	55	0.0	-71.06	393.85	3.03	-68.03
C[C@@H](C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030801669	0	48	0.0	-71.34	367.87	2.26	-69.08
C=CCC(C)(C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030801683	0	55	0.0	-66.40	397.54	3.35	-63.05
CN(CC1CN(C(=O)CC[NH+]2CCCC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801704	0	52	0.0	-74.45	400.18	3.70	-70.75
CN(CC1CN(C(=O)C[N@H+](C)CCO)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801714	1	49	0.0	-73.84	379.95	-0.66	-74.50
CN(CC1CN(C(=O)C[N@@H+](C)CCO)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801714	1	49	0.0	-72.37	379.85	-0.66	-73.03
CN(CC1CN(C(=O)C2C[N@@H+]3CCN2CCC3)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801749	0	55	0.0	-78.36	397.43	1.84	-76.52
CN(CC1CN(C(=O)C2C[N@H+]3CCN2CCC3)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801749	1	55	0.0	-80.22	394.66	2.00	-78.22
CC(C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300030801769	1	53	0.0	-71.25	408.64	3.83	-67.42
CN(CC1CN(C(=O)CC2=CC[N@H+](C)CC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801800	0	53	0.0	-72.80	411.91	4.20	-68.60
CN(CC1CN(C(=O)CC2=CC[N@@H+](C)CC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801800	1	53	0.0	-70.58	410.99	4.29	-66.29
CN(CC1CN(C(=O)C(O)CC[S+](C)C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801814	0	51	0.0	-74.69	412.42	1.36	-73.33
CN(CC1CN(C(=O)C2(C)CC(O)C[N@@H+]2C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801832	0	53	0.0	-73.39	394.23	-0.39	-73.78
CN(CC1CN(C(=O)C2(C)CC(O)C[N@H+]2C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801832	1	53	0.0	-70.02	395.71	-0.64	-70.66
CN(CC1CN(C(=O)C2CN(C)CC[N@H+](C)C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801842	0	57	0.0	-71.80	419.94	1.94	-69.86
CN(CC1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801842	1	57	0.0	-72.74	417.64	2.09	-70.65
CC(C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300030801843	0	56	0.0	-72.96	420.86	0.84	-72.12
CC(C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[N@H+]1CCCC(O)C1	REAL300030801843	1	56	0.0	-72.91	420.11	0.93	-71.98
CN(CC1CN(C(=O)CC2(O)CCC[N@H+](C)C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801872	0	56	0.0	-73.83	409.82	2.26	-71.57
CN(CC1CN(C(=O)CC2(O)CCC[N@@H+](C)C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801872	1	56	0.0	-73.88	419.21	3.09	-70.79
CC1C[NH+](CC(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030801876	1	49	0.0	-72.98	383.61	3.02	-69.96
CC[N@@H+]1CCCC(C(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030801882	0	55	0.0	-75.82	413.77	4.20	-71.62
CC[N@H+]1CCCC(C(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030801882	1	55	0.0	-74.15	413.34	4.81	-69.34
CN(CC1CN(C(=O)CC2=CC=C[NH+]=C2N)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801888	0	48	0.0	-71.31	385.08	2.46	-68.85
CN(CC1CN(C(=O)C2CCC[N@@H+]2C2CC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801898	0	53	0.0	-71.17	401.96	3.92	-67.25
CN(CC1CN(C(=O)C2CCC[N@H+]2C2CC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801898	1	53	0.0	-67.46	403.29	4.04	-63.42
CN(CC1CN(C(=O)C=CC[NH+]2CCCC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801934	0	53	0.0	-83.74	411.43	4.30	-79.44
CN(CC1CN(C(=O)C2CC[NH+](C3CC3)CC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801954	0	56	0.0	-75.12	420.74	4.77	-70.35
CC[N@H+](C)CC(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030801995	0	48	0.0	-72.29	369.60	2.58	-69.71
CN(CC1CN(C(=O)CN2CC3C=CC2C3)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802041	0	51	0.0	-70.86	390.72	4.02	-66.84
CN(CC1CN(C(=O)C[N@@H+]2CC3C=CC2C3)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802041	1	51	0.0	-69.12	391.01	3.79	-65.33
CN(CC1CN(C(=O)C[N@H+]2CC3C=CC2C3)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802041	1	51	0.0	-69.12	391.01	3.79	-65.33
CN(CC1CN(C(=O)C23CCC[N@@H+]2CCCC3)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802156	0	56	0.0	-66.93	400.88	3.46	-63.47
CN(CC1CN(C(=O)C23CCC[N@H+]2CCCC3)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802156	1	56	0.0	-66.93	400.88	3.46	-63.47
CN(CC1CN(C(=O)C23CCC[N@@H+]2CC=CC3)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802163	0	54	0.0	-67.77	393.34	3.63	-64.14
CN(CC1CN(C(=O)C23CCC[N@H+]2CC=CC3)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802163	1	54	0.0	-67.77	393.34	3.63	-64.14
CC(OCC[NH+](C)C)C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030802172	0	55	0.0	-69.86	424.07	3.40	-66.46
CN(CC1CN(C(=O)CCOCC[NH+](C)C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802181	0	55	0.0	-75.13	429.61	2.71	-72.42
COCCN(C)CC(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030802183	0	52	0.0	-71.92	402.10	1.75	-70.17
COCC[N@H+](C)CC(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030802183	1	52	0.0	-74.09	402.20	1.75	-72.34
COCC[N@@H+](C)CC(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030802183	1	52	0.0	-74.09	402.20	1.75	-72.34
CC(CCC(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030802188	0	54	0.0	-79.16	406.89	3.64	-75.52
CC[N@H+](CC(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030802211	0	52	0.0	-71.49	397.81	4.00	-67.49
CC1C[N@@H+]2CCN1C(C(=O)N1CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030802226	0	55	0.0	-79.43	401.40	0.69	-78.74
CN(CC1CN(C(=O)C23CC(C2)C[N@@H+]3C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802248	0	50	0.0	-80.47	378.65	3.18	-77.29
CN(CC1CN(C(=O)C[N@@H+]2CC3CCC2C3)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802262	0	53	0.0	-71.17	396.15	3.96	-67.21
CN(CC1CN(C(=O)C[N@H+]2CC3CCC2C3)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802262	1	53	0.0	-71.17	396.15	3.96	-67.21
CC(C[NH+](C)C)C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030802281	0	51	0.0	-65.33	389.38	3.00	-62.33
CCN1CCC1C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030802327	0	49	0.0	-73.42	382.37	3.52	-69.90
CC[N@@H+]1CCC1C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030802327	1	49	0.0	-73.07	382.08	3.09	-69.98
CC[N@H+]1CCC1C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030802327	1	49	0.0	-73.07	382.08	3.09	-69.98
CC(C)[N@@H+]1CCCC(C(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030802339	0	58	0.0	-78.42	427.59	4.55	-73.87
CC(C)[N@H+]1CCCC(C(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030802339	1	58	0.0	-78.42	427.59	4.55	-73.87
CCC(C)(C)[NH2+]C(C)C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030802352	0	57	0.0	-69.65	416.52	2.49	-67.16
C#CCN1CCCCC1C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030802391	0	54	0.0	-69.77	417.14	4.75	-65.02
C#CC[N@H+]1CCCCC1C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030802391	1	54	0.0	-68.90	407.64	4.16	-64.74
C#CC[N@@H+]1CCCCC1C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030802391	1	54	0.0	-68.90	407.64	4.16	-64.74
CNC1=NC(C)=CC=C1C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030802392	0	51	0.0	-66.37	404.52	2.51	-63.86
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030802392	1	51	0.0	-66.37	404.52	2.51	-63.86
CCCC(C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030802402	0	54	0.0	-71.13	401.65	3.60	-67.53
CN(CC1CN(C(=O)C(C)(C)[NH+](C)C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802409	0	51	0.0	-74.94	373.05	2.41	-72.53
CC(CC[NH+](C)C)C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030802427	0	54	0.0	-76.28	412.20	3.74	-72.54
CN(CC1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802488	0	54	0.0	-73.83	404.58	5.31	-68.52
CN(CC1CN(C(=O)C2CC(C)(C)C[N@@H+]2C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802517	0	55	0.0	-69.34	405.91	3.47	-65.87
CN(CC1CN(C(=O)C2CC(C)(C)C[N@H+]2C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802517	1	55	0.0	-69.34	405.91	3.47	-65.87
CN(CC1CN(C(=O)CCCCC[NH+](C)C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802520	0	57	0.0	-76.21	439.73	4.82	-71.39
CN(CC1CN(C(=O)CC[NH+]2CCC(O)CC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802524	0	56	0.0	-77.94	427.53	0.97	-76.97
CCC[N@@H+]1CCCCC1C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030802528	0	58	0.0	-72.01	423.49	4.56	-67.45
CCC[N@H+]1CCCCC1C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030802528	1	58	0.0	-72.01	423.49	4.56	-67.45
CN(CC1CN(C(=O)CN2CCN(C)CC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802537	0	54	0.0	-74.78	412.40	1.39	-73.39
CN(CC1CN(C(=O)CN2CC[NH+](C)CC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802537	1	54	0.0	-74.78	412.40	1.39	-73.39
CC1CN(C)CC(C(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030802623	0	53	0.0	-91.69	406.80	3.04	-88.65
CC1C[N@H+](C)CC(C(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030802623	1	53	0.0	-92.72	399.40	2.60	-90.12
CC1C[N@@H+](C)CC(C(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030802623	1	53	0.0	-92.72	399.40	2.60	-90.12
CCC1CCC[N@H+](CC(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030802655	0	58	0.0	-74.27	432.60	5.26	-69.01
CCC1CCC[N@@H+](CC(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030802655	1	58	0.0	-74.27	432.60	5.26	-69.01
CN(CC1CN(C(=O)CC2([NH+]3CCCC3)CC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802688	0	56	0.0	-71.54	415.86	5.42	-66.12
CN(CC1CN(C(=O)C2CCCC[N@@H+]2C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802723	0	52	0.0	-70.58	392.04	4.21	-66.37
CN(CC1CN(C(=O)C=C2CC[N@H+](C)C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802829	0	50	0.0	-78.13	390.13	3.43	-74.70
CN(CC1CN(C(=O)C=C2CC[N@@H+](C)C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802829	1	50	0.0	-78.13	390.13	3.43	-74.70
CN(CC1CN(C(=O)CNC2=CC=[NH+]C=C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802834	0	48	0.0	-74.25	388.59	1.14	-73.11
CC[NH+]1CCN(CC(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030802887	0	57	0.0	-74.18	427.09	2.75	-71.43
CN(CC1CN(C(=O)C=C2C[NH+]3CCC2CC3)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802890	0	54	0.0	-68.57	407.16	4.35	-64.22
CN(CC1CN(C(=O)C2([NH+](C)C)CCCC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802924	0	55	0.0	-71.73	390.79	3.45	-68.28
CN(CC1CN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802935	0	56	0.0	-73.14	422.64	1.36	-71.78
CN(CC1CN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802935	1	56	0.0	-68.17	422.87	1.13	-67.04
CCC1C[NH+](CC(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030802939	1	52	0.0	-74.04	405.50	3.68	-70.36
CN(CC1CN(C(=O)C2([NH+]3CCCC3)CCC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802942	0	56	0.0	-67.48	408.80	4.09	-63.39
CN(CC1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802954	0	49	0.0	-72.69	370.25	2.67	-70.02
CN(CC1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802954	1	49	0.0	-64.78	377.98	2.77	-62.01
CC[N@@H+]1CCOCC1CC(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030802980	0	56	0.0	-76.19	415.23	2.40	-73.79
CN(CC1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803091	0	52	0.0	-76.51	401.25	3.72	-72.79
CN(CC1CN(C(=O)C2CCC([NH+](C)C)CC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803105	0	58	0.0	-80.38	429.08	4.44	-75.94
CN(CC1CN(C(=O)C2(CC[NH+](C)C)CC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803106	0	55	0.0	-76.32	423.53	4.76	-71.56
CN(CC1CN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803108	0	58	0.0	-74.85	420.54	4.50	-70.35
CN(CC1CN(C(=O)CC2CC=CC[N@@H+]2C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803109	0	53	0.0	-67.95	398.08	3.96	-63.99
CN(CC1CN(C(=O)CC2CC=CC[N@H+]2C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803109	1	53	0.0	-67.95	398.08	3.96	-63.99
CN(CC1CN(C(=O)COCC[NH+](C)C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803163	0	52	0.0	-72.80	408.73	2.97	-69.83
CCCCC[N@H+](C)CCC(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030803168	0	60	0.0	-76.95	457.47	5.44	-71.51
CCCCC[N@@H+](C)CCC(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030803168	1	60	0.0	-76.95	457.47	5.44	-71.51
CN(CC1CN(C(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803179	0	56	0.0	-75.40	427.50	4.47	-70.93
CN(CC1CN(C(=O)CN2C=CSC2=[NH2+])CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803202	0	45	0.0	-69.14	378.92	2.10	-67.04
C[C@@H](OCC[NH+](C)C)C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030803269	0	55	0.0	-73.50	423.94	3.60	-69.90
CN(CC1CN(C(=O)CC[NH+]2CCCCCC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803304	0	58	0.0	-77.20	426.90	4.55	-72.65
CN(CC1CN(C(=O)C[NH+]2CCCCC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803307	0	52	0.0	-71.87	393.60	3.78	-68.09
CN(CC1CN(C(=O)C2CCC[N@H+](C)C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803309	0	52	0.0	-72.08	388.15	3.60	-68.48
CN(CC1CN(C(=O)C2CCC[N@@H+](C)C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803309	1	52	0.0	-75.66	395.46	3.47	-72.19
CN(CC1CN(C(=O)C[NH+]2CCC(CO)CC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803310	0	56	0.0	-73.77	425.27	1.08	-72.69
CN(CC1CN(C(=O)C[NH+]2CCCCCC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803311	0	55	0.0	-73.68	402.01	4.67	-69.01
CN(CC1CN(C(=O)C[N+]2=CN(C)C=C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803316	0	47	0.0	-72.05	382.05	6.12	-65.93
CN(CC1CN(C(=O)C2=CC=C(C[NH+](C)C)O2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803331	1	52	0.0	-81.14	412.16	3.60	-77.54
CN(CC1CN(C(=O)C[NH+]2CCC(O)CC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803347	1	53	0.0	-77.08	404.68	0.43	-76.65
CN(CC1CN(C(=O)C[N@@H+](C)C2CC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803351	1	49	0.0	-69.05	381.12	3.32	-65.73
CC(C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300030803353	1	57	0.0	-72.94	419.93	1.38	-71.56
CN(CC1CN(C(=O)CC[N@H+]2CCC(F)C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803355	1	52	0.0	-80.66	405.83	4.00	-76.66
COC1C[N@@H+](C)C(C)(C(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030803364	1	56	0.0	-71.18	412.95	1.63	-69.55
CC(CC(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030803381	0	54	0.0	-75.46	410.00	3.92	-71.54
CN(CC1CN(C(=O)C2CC[N@@H+]3CCOCC23)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803393	0	54	0.0	-78.92	408.27	2.13	-76.79
CN(CC1CN(C(=O)C2CC[N@H+]3CCOCC23)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803393	1	54	0.0	-69.46	401.26	2.09	-67.37
CC1=[NH+]C=C2C=CC(C(=O)N3CCOC(CN(C)C(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300030803398	0	50	0.0	-74.50	409.54	5.00	-69.50
CN(CC1CN(C(=O)CC2COCCN2C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803411	0	53	0.0	-70.79	394.95	1.63	-69.16
CN(CC1CN(C(=O)CC2COCC[N@@H+]2C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803411	1	53	0.0	-79.96	401.58	1.98	-77.98
CN(CC1CN(C(=O)CC2COCC[N@H+]2C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803411	1	53	0.0	-70.79	394.95	1.63	-69.16
CC[NH+]1CCN(CC(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030803419	0	57	0.0	-74.18	427.09	2.75	-71.43
CC1=CC(N)=[NH+]C=C1C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030803471	1	48	0.0	-75.38	383.44	1.19	-74.19
CN(CC1CN(C(=O)CCC2=CC=C(N)[NH+]=C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803474	0	51	0.0	-72.66	411.90	2.41	-70.25
CN(CC1CN(C(=O)C[N@H+]2CCC(C)(O)C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803511	1	53	0.0	-73.45	407.63	0.55	-72.90
CN(CC1CN(C(=O)CC2C[NH+](C)C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803543	0	49	0.0	-75.57	383.14	2.79	-72.78
CN(CC1CN(C(=O)C2CC[N@H+]2C2CCCC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803547	1	56	0.0	-73.82	420.45	5.25	-68.57
CN(CC1CN(C(=O)C[NH+](C)C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803555	0	45	0.0	-73.40	352.86	1.83	-71.57
CN(CC1CN(C(=O)CC[N@H+](C)CCO)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803583	0	52	0.0	-74.19	402.30	-0.02	-74.21
CN(CC1CN(C(=O)CC[N@@H+](C)CCO)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803583	1	52	0.0	-74.41	402.15	-0.03	-74.44
C[C@@H](C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030803584	0	48	0.0	-71.34	367.87	2.26	-69.08
CN(CC1CN(C(=O)CC2CCCC[N@@H+]2C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803602	0	55	0.0	-68.71	403.39	4.23	-64.48
CN(CC1CN(C(=O)CC2CCCC[N@H+]2C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803602	1	55	0.0	-68.49	403.38	4.23	-64.26
CC1=C2C=C(C(=O)N3CCOC(CN(C)C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030803621	1	50	0.0	-77.03	410.14	5.82	-71.21
CC(C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300030803622	0	52	0.0	-71.55	400.66	3.51	-68.04
CC1CCN1CC(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030803626	0	49	0.0	-72.30	377.60	3.45	-68.85
CC1CC[N@@H+]1CC(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030803626	1	49	0.0	-72.17	377.35	2.95	-69.22
CC1CC[N@H+]1CC(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030803626	1	49	0.0	-72.30	377.60	3.45	-68.85
CN(CC1CN(C(=O)C=CC[NH+](C)C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803637	0	49	0.0	-78.57	387.96	3.19	-75.38
CN(CC1CN(C(=O)C[NH+]2CC(C)(C)C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803649	1	52	0.0	-74.58	401.21	4.18	-70.40
CC1=C(C)[NH+]=C(CCC(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030803664	1	53	0.0	-68.95	424.05	3.25	-65.70
CC1=C2C=C(C(=O)N3CCOC(CN(C)C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030803675	1	50	0.0	-77.03	410.14	5.82	-71.21
CN(CC1CN(C(=O)CSCC[NH+](C)C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803684	0	52	0.0	-80.08	419.75	3.85	-76.23
CN(CC1CN(C(=O)C[N@H+]2CCCC2CO)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803709	1	53	0.0	-71.59	406.89	0.51	-71.08
CC[NH+](CC)CC(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030803713	0	51	0.0	-72.50	387.48	3.36	-69.14
CN(CC1CN(C(=O)C[N@@H+](C)C2CCSC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803723	1	53	0.0	-77.52	412.22	4.10	-73.42
CN(CC1CN(C(=O)C[NH+]2CCC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803725	1	46	0.0	-73.07	362.15	2.39	-70.68
CC[NH+](CC)CCC(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030803769	0	54	0.0	-74.29	406.50	3.57	-70.72
CN(CC1CN(C(=O)C2=CC(C[NH+](C)C)=CN2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803829	0	53	0.0	-78.57	415.01	3.43	-75.14
CC(C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300030803846	0	56	0.0	-70.70	414.14	0.47	-70.23
CN(CC1CN(C(=O)C2CC3COCC[N@@H+]3C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803851	0	54	0.0	-76.20	407.40	2.32	-73.88
CN(CC1CN(C(=O)C2CC3COCC[N@H+]3C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803851	1	54	0.0	-75.56	406.75	2.13	-73.43
CC(C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030803863	1	49	0.0	-71.76	370.80	2.58	-69.18
CCC(CC(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030803868	0	57	0.0	-81.41	428.14	4.53	-76.88
CN(CC1CN(C(=O)C=CC2=CC=C(N)[NH+]=C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803875	0	49	0.0	-73.02	399.57	2.10	-70.92
CN(CC1CN(C(=O)C(C)(C)C[NH+](C)C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803876	0	54	0.0	-67.10	387.86	3.12	-63.98
CN(CC1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803932	0	52	0.0	-70.07	390.35	4.07	-66.00
CN(CC1CN(C(=O)[C@H]2CCCC[N@H+]2C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803932	1	52	0.0	-73.15	384.30	3.24	-69.91
CC1CN2CC[N@@H+]1CC2C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030803946	0	55	0.0	-77.51	401.13	0.77	-76.74
CC1CN2CC[N@H+]1CC2C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030803946	1	55	0.0	-80.52	401.63	0.58	-79.94
CN(CC1CN(C(=O)CC(O)C[NH+](C)C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803967	0	52	0.0	-79.74	403.38	1.68	-78.06
CN(CC1CN(C(=O)C2CC3CCC(C2)[NH+]3C)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803969	0	56	0.0	-71.18	410.31	3.90	-67.28
C=CCC(C(=O)N1CCOC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030804000	0	52	0.0	-70.20	396.38	3.40	-66.80
CN(CC1CN(C(=O)C2CC3CCCC[N@@H+]3C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030804008	0	56	0.0	-74.22	415.93	4.71	-69.51
CN(CC1CN(C(=O)C2CC3CCCC[N@H+]3C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030804008	1	56	0.0	-77.77	415.99	4.50	-73.27
CN(CC1CN(C(=O)C2(C)CC[NH+](C)CC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030804019	0	55	0.0	-78.62	399.28	4.18	-74.44
CN(CC1CN(C(=O)CC2(O)CC[NH+](C)CC2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030804021	0	56	0.0	-74.67	423.20	2.11	-72.56
CC1=C2C=C(C(=O)N(C)CC3CN(C(=O)C4=CC(=O)[N-]O4)CCO3)C=CN2C=[NH+]1	REAL300030804093	1	50	0.0	-75.53	407.85	5.79	-69.74
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CSCC[NH+](C)C	REAL300030804102	0	52	0.0	-77.00	417.74	3.83	-73.17
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1CC2COCC[N@@H+]2C1	REAL300030804109	0	54	0.0	-72.00	406.34	1.94	-70.06
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1CC2COCC[N@H+]2C1	REAL300030804109	1	54	0.0	-71.77	405.80	2.53	-69.24
C[N@@H+]1CCCC1C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030804272	0	52	0.0	-61.62	396.85	4.88	-56.74
C[N@H+]1CCCC1C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030804272	1	52	0.0	-59.25	392.65	5.44	-53.81
C[N@@H+]1CCOC(C(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030804296	1	53	0.0	-67.20	408.45	4.39	-62.81
C[N@H+]1CCOC(C(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030804296	1	53	0.0	-77.85	404.67	4.28	-73.57
CC(C)[N@@H+]1CCCC1C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030804452	0	58	0.0	-64.67	426.03	6.41	-58.26
CC(C)[N@H+]1CCCC1C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030804452	1	58	0.0	-62.94	414.95	5.87	-57.07
CC1=[NH+]C=CN1CC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030804485	1	50	0.0	-62.82	404.57	5.68	-57.14
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCC1CC2	REAL300030804513	0	56	0.0	-59.25	406.59	6.05	-53.20
C[C@@H]1[C@H](C(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030804547	0	55	0.0	-61.62	402.26	5.63	-55.99
C[C@@H]1[C@H](C(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030804547	1	55	0.0	-68.24	405.33	5.63	-62.61
CC[C@@H]1[C@@H](C(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030804549	0	58	0.0	-71.06	426.40	5.54	-65.52
CC[C@@H]1[C@@H](C(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030804549	1	58	0.0	-61.65	435.03	6.25	-55.40
CC[N@@H+]1CCOC(C(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030804556	1	56	0.0	-63.30	421.57	5.48	-57.82
CC[N@H+]1CCOC(C(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030804556	1	56	0.0	-68.70	429.63	5.08	-63.62
CC[NH+](CC)CC(F)C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030804584	0	57	0.0	-59.88	425.07	6.08	-53.80
CC1CCC(C)[NH+]1CC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030804620	0	58	0.0	-59.16	428.26	5.84	-53.32
O=C(CCC[NH+]1CCCC1)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030804623	0	58	0.0	-66.31	440.92	6.47	-59.84
O=C(CC[NH+]1CCCCC1)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030804626	0	58	0.0	-64.99	434.63	6.34	-58.65
CC[N@@H+]1CCCCC1C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030804629	0	58	0.0	-56.09	424.03	6.41	-49.68
CC[N@H+]1CCCCC1C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030804629	1	58	0.0	-63.69	434.19	6.29	-57.40
C[NH+](C)C1(C(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300030804640	0	55	0.0	-61.88	387.52	6.11	-55.77
CC(C)[C@@H](C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030804647	0	57	0.0	-66.16	416.11	6.55	-59.61
C[N@H+](CC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030804672	0	55	0.0	-60.61	417.31	5.92	-54.69
C[N@@H+](CC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030804672	1	55	0.0	-61.91	417.21	5.90	-56.01
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030804748	1	54	0.0	-63.63	422.24	5.78	-57.85
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030804748	1	54	0.0	-61.89	423.62	6.21	-55.68
C[N@@H+]1CCCC1CCC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030804753	0	58	0.0	-65.79	441.78	6.59	-59.20
C[N@H+]1CCCC1CCC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030804753	1	58	0.0	-66.01	427.94	6.38	-59.63
C[NH+]1CCC(C(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030804773	0	55	0.0	-72.26	419.69	5.74	-66.52
C[N@@H+]1CCCCC1C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030804812	0	55	0.0	-61.06	402.86	5.38	-55.68
C[N@H+]1CCCCC1C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030804812	1	55	0.0	-60.24	404.12	5.34	-54.90
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)C1=CN2C=[NH+]C=C2C=C1	REAL300030804882	0	50	0.0	-67.25	401.26	7.45	-59.80
O=C(CC[NH+]1CCOCC1)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030804889	1	56	0.0	-68.25	426.35	3.94	-64.31
CC1=C[NH+]=CN1CC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030804902	1	50	0.0	-66.02	400.85	6.28	-59.74
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)C12CCC[NH+]1CCC2	REAL300030804923	0	56	0.0	-58.89	409.41	6.23	-52.66
C[N@@H+]1CCC(CC(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030804934	0	55	0.0	-66.51	421.80	5.70	-60.81
C[N@H+]1CCC(CC(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030804934	1	55	0.0	-66.64	417.52	5.45	-61.19
CN(C)C1=CC=[NH+]C=C1C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030804940	0	54	0.0	-69.01	421.81	4.74	-64.27
CCC(C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030804942	0	54	0.0	-60.17	405.24	5.11	-55.06
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)C1=CC2=C[NH+]=CN2C=C1	REAL300030804969	1	50	0.0	-70.70	401.53	7.45	-63.25
C[NH+](C)CCCCC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805001	0	57	0.0	-69.50	431.45	6.52	-62.98
CC(C)C(C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030805015	0	57	0.0	-50.11	417.96	6.52	-43.59
CCC[N@H+](C)CCC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805016	0	57	0.0	-66.51	432.68	5.89	-60.62
CCC[N@@H+](C)CCC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805016	1	57	0.0	-66.32	427.68	6.32	-60.00
CCC[N@H+](C)CC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805020	0	54	0.0	-63.04	410.32	5.34	-57.70
CCC[N@@H+](C)CC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805020	1	54	0.0	-63.26	410.31	5.35	-57.91
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)C12CC[N@H+](C1)CCC2	REAL300030805035	0	56	0.0	-64.75	408.18	5.55	-59.20
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)C12CC[N@@H+](C1)CCC2	REAL300030805035	1	56	0.0	-65.72	417.46	5.28	-60.44
C[N@@H+]1CCC[C@@H]1C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805061	0	52	0.0	-67.04	394.41	4.67	-62.37
C[N@H+]1CCC[C@@H]1C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805061	1	52	0.0	-62.17	390.79	5.11	-57.06
CC[NH+](CC)CC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805096	0	54	0.0	-62.04	397.63	5.45	-56.59
CC1CC[NH+](CC(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030805157	0	58	0.0	-63.07	428.77	6.85	-56.22
C[NH+](C)CC1(C(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030805179	0	55	0.0	-45.40	410.99	6.37	-39.03
C[NH+]1CCC(C(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030805232	0	55	0.0	-72.26	419.69	5.74	-66.52
CC(C)[C@H](C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030805248	0	57	0.0	-57.92	412.05	5.89	-52.03
CCC(C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300030805276	0	60	0.0	-57.35	434.51	6.33	-51.02
CC[N@H+](C)CCC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805317	0	54	0.0	-66.00	411.19	5.15	-60.85
CC[N@@H+](C)CCC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805317	1	54	0.0	-65.59	411.19	5.15	-60.44
CC1CCC[N@@H+]1CC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805347	0	55	0.0	-61.70	416.56	5.53	-56.17
CC1CCC[N@H+]1CC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805347	1	55	0.0	-60.74	416.24	5.71	-55.03
CC1CC[N@H+](CC(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030805349	0	55	0.0	-62.66	417.35	5.58	-57.08
CC1CC[N@@H+](CC(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030805349	1	55	0.0	-63.36	415.15	5.50	-57.86
CC1(C)CC[N@H+](CC(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030805353	0	58	0.0	-60.57	431.42	6.63	-53.94
CC1(C)CC[N@@H+](CC(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030805353	1	58	0.0	-62.47	436.40	6.17	-56.30
C[N@H+](CC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030805354	0	60	0.0	-59.86	439.88	6.46	-53.40
C[N@@H+](CC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030805354	1	60	0.0	-62.34	445.49	6.62	-55.72
CC[C@@H](C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030805362	0	54	0.0	-63.80	401.66	4.93	-58.87
C[NH+](C)CC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805466	0	48	0.0	-64.03	366.09	4.38	-59.65
O=C(C[NH+]1CCCCCC1)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805470	0	58	0.0	-61.35	422.16	6.01	-55.34
CN1C=C[N+](CC(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300030805473	0	50	0.0	-60.53	397.32	7.88	-52.65
C[N@@H+]1CCCC(C(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030805478	0	55	0.0	-67.34	411.20	5.97	-61.37
C[N@H+]1CCCC(C(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030805478	1	55	0.0	-61.17	404.12	6.17	-55.00
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@@H+]1C1CC1	REAL300030805483	0	56	0.0	-68.83	420.23	5.75	-63.08
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)C1CCC[N@H+]1C1CC1	REAL300030805483	1	56	0.0	-60.32	429.61	6.47	-53.85
CC(C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030805499	1	52	0.0	-60.08	395.95	5.34	-54.74
CCC(CC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030805503	0	60	0.0	-59.19	441.26	6.99	-52.20
C[NH+](C)CC(C)(C)C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805508	0	57	0.0	-55.44	418.57	5.55	-49.89
O=C(C[NH+]1CCC(O)CC1)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805523	1	56	0.0	-65.56	424.19	2.37	-63.19
C[N@H+](CC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030805524	0	52	0.0	-61.44	404.40	5.47	-55.97
C[N@@H+](CC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030805524	1	52	0.0	-61.47	400.50	5.35	-56.12
C[NH+]1CC(CC(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030805540	0	52	0.0	-68.66	397.53	5.19	-63.47
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805551	0	58	0.0	-61.29	418.18	5.53	-55.76
CC(C)(C)[N@H+]1CCC1C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805551	1	58	0.0	-61.15	409.19	5.12	-56.03
C[C@@H](C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030805562	0	51	0.0	-64.52	389.24	4.29	-60.23
[NH2+]=C1SC=CN1CC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805621	0	48	0.0	-57.66	398.16	4.12	-53.54
C[N@H+](CCO)CCC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805628	0	55	0.0	-65.02	416.53	2.37	-62.65
C[N@@H+](CCO)CCC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805628	1	55	0.0	-66.35	421.29	1.94	-64.41
C[C@@H](C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030805629	0	51	0.0	-64.52	389.24	4.29	-60.23
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805633	0	55	0.0	-61.60	402.40	5.27	-56.33
C[N@H+]1CCCC[C@@H]1C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805633	1	55	0.0	-64.88	406.26	5.79	-59.09
O=C(C[NH+]1CCC1)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805683	1	49	0.0	-63.18	381.18	4.36	-58.82
C[N@@H+]1CCC(=CC(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030805702	0	53	0.0	-70.67	409.93	5.48	-65.19
C[N@H+]1CCC(=CC(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030805702	1	53	0.0	-71.61	412.26	5.56	-66.05
C[NH+](C)CCOCC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805725	0	55	0.0	-64.79	421.96	5.44	-59.35
C=CCC(C)(C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030805739	0	58	0.0	-61.58	425.49	6.24	-55.34
C[S+](C)CCC(O)C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805743	0	54	0.0	-58.44	435.91	3.61	-54.83
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805762	0	56	0.0	-72.76	417.47	2.12	-70.64
CC1CN(CC(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030805781	0	52	0.0	-64.29	401.14	5.02	-59.27
CC1C[NH+](CC(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030805781	1	52	0.0	-64.29	401.14	5.02	-59.27
CN(CCO)CC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805799	0	52	0.0	-65.15	399.17	1.36	-63.79
C[N@H+](CCO)CC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805799	1	52	0.0	-62.78	398.91	1.36	-61.42
C[N@@H+](CCO)CC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805799	1	52	0.0	-62.78	398.91	1.36	-61.42
CC[N@@H+]1CCCC(C(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030805819	0	58	0.0	-58.81	430.43	6.47	-52.34
CC[N@H+]1CCCC(C(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030805819	1	58	0.0	-58.81	430.43	6.47	-52.34
CC(CC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030805821	0	57	0.0	-67.46	423.28	6.37	-61.09
CC[N@H+](C)CC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805826	0	51	0.0	-63.05	388.82	4.60	-58.45
CC[N@H+](CC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030805859	0	55	0.0	-60.52	423.73	6.09	-54.43
CC[N@@H+](CC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030805859	1	55	0.0	-60.05	416.85	5.99	-54.06
CC[NH+](CC)CCC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805869	0	57	0.0	-65.09	419.82	6.00	-59.09
C[NH+]1CCC(=CC(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030805879	0	56	0.0	-67.41	424.50	5.93	-61.48
CC1(O)CC[N@H+](CC(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030805905	0	56	0.0	-63.54	426.27	2.23	-61.31
CC1(O)CC[N@@H+](CC(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030805905	1	56	0.0	-63.27	425.67	2.22	-61.05
C[NH+](C)CC=CC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805909	0	52	0.0	-71.35	408.32	5.19	-66.16
CC(OCC[NH+](C)C)C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805918	0	58	0.0	-61.69	446.61	5.70	-55.99
C[NH+](C)CCOCCC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805924	0	58	0.0	-68.61	442.91	5.16	-63.45
COCC[N@H+](C)CC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805925	1	55	0.0	-62.23	421.17	3.77	-58.46
COCC[N@@H+](C)CC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805925	1	55	0.0	-65.11	421.43	3.76	-61.35
C[NH+](C)C1(C(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300030805945	0	58	0.0	-49.56	411.47	6.29	-43.27
CC(CCC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030805947	0	57	0.0	-67.00	423.43	6.09	-60.91
CC[N@@H+]1CCC1C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805953	1	52	0.0	-65.51	394.40	4.77	-60.74
CC[N@H+]1CCC1C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805953	1	52	0.0	-64.22	406.07	5.02	-59.20
O=C(C[N@H+]1CCCC1CO)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805966	0	56	0.0	-62.46	420.70	1.98	-60.48
O=C(C[N@@H+]1CCCC1CO)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805966	1	56	0.0	-63.63	419.39	1.87	-61.76
C[NH+]1CCC(C)(C(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030805988	0	58	0.0	-72.16	420.32	6.26	-65.90
C=CCC(C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030806007	0	55	0.0	-66.05	423.11	5.73	-60.32
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030806014	0	58	0.0	-66.77	435.26	5.76	-61.01
C[N@H+]1CC(C)(C)CC1C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030806014	1	58	0.0	-66.63	431.53	5.52	-61.11
C[NH+](C)CCCCCC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030806016	0	60	0.0	-69.94	452.95	7.30	-62.64
O=C(C[NH+]1CC2CC2C1)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030806021	0	53	0.0	-62.90	406.48	5.82	-57.08
CCCC(C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030806037	0	57	0.0	-60.58	429.62	6.00	-54.58
C[NH+](C)C(C)(C)C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030806040	0	54	0.0	-59.56	398.52	5.11	-54.45
C[N@@H+]1CCCCC1C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030806066	0	55	0.0	-61.06	402.86	5.38	-55.68
C[N@H+]1CCCCC1C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030806066	1	55	0.0	-60.24	404.12	5.34	-54.90
C[N@H+]1CC=C(CC(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030806090	0	56	0.0	-67.83	433.51	6.34	-61.49
C[N@@H+]1CC=C(CC(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030806090	1	56	0.0	-66.55	429.01	6.14	-60.41
O=C(C=CC[NH+]1CCCC1)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030806130	0	56	0.0	-67.62	437.44	6.50	-61.12
C[NH+](C)C1(C(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030806161	0	52	0.0	-55.37	388.21	5.91	-49.46
O=C(CC[NH+]1CCCC1)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030806163	0	55	0.0	-65.32	418.69	5.62	-59.70
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)C1C[NH+]2CCN1CC2	REAL300030806187	0	55	0.0	-59.43	402.67	2.80	-56.63
C[N@@H+]1CC2CC1(C(=O)NCC1C(C3CC3)CCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030806192	0	53	0.0	-67.64	403.63	5.15	-62.49
C[N@H+]1CC2CC1(C(=O)NCC1C(C3CC3)CCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030806192	1	53	0.0	-54.71	395.62	5.88	-48.83
O=C(C[N@@H+]1CC2CCC1C2)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030806199	0	56	0.0	-61.82	421.93	6.18	-55.64
O=C(C[N@H+]1CC2CCC1C2)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030806199	1	56	0.0	-63.13	414.14	5.75	-57.38
O=C(C[N@@H+]1CC2C=CC1C2)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030806239	1	54	0.0	-60.96	405.40	6.28	-54.68
O=C(C[N@H+]1CC2C=CC1C2)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030806239	1	54	0.0	-62.66	408.93	5.78	-56.88
CC(C[NH+](C)C)C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030806271	0	54	0.0	-65.34	409.52	5.21	-60.13
C[N@@H+]1CCCCC1CC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030806321	0	58	0.0	-61.74	417.83	6.41	-55.33
C[N@H+]1CCCCC1CC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030806321	1	58	0.0	-61.63	416.79	6.29	-55.34
CC(C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300030806331	1	55	0.0	-60.52	420.29	5.62	-54.90
CC1CC[N@@H+]1CC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030806333	1	52	0.0	-61.45	392.18	5.19	-56.26
CC1CC[N@H+]1CC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030806333	1	52	0.0	-64.74	401.89	4.96	-59.78
C[NH+](C)CC(O)CC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030806336	0	55	0.0	-71.00	418.70	3.42	-67.58
CC1C[N@H+](C)CC(C(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030806356	1	56	0.0	-76.68	426.84	5.14	-71.54
CC1C[N@@H+](C)CC(C(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030806356	1	56	0.0	-79.32	432.86	5.31	-74.01
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030806403	0	55	0.0	-71.04	424.88	5.79	-65.25
CC(CC[NH+](C)C)C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030806409	0	57	0.0	-67.23	431.15	5.82	-61.41
C[NH+]1CCN(CC(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030806428	1	57	0.0	-66.07	434.16	3.57	-62.50
NC(=[NH2+])SCC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030806452	0	46	0.0	-65.14	374.61	1.24	-63.90
C[NH+](C)CCC1(C(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030806481	0	58	0.0	-65.31	435.21	6.71	-58.60
C[N@@H+]1CC=CCC1CC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030806482	0	56	0.0	-67.80	421.69	5.95	-61.85
C[N@H+]1CC=CCC1CC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030806482	1	56	0.0	-54.76	417.26	5.93	-48.83
C[C@@H](OCC[NH+](C)C)C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030806495	0	58	0.0	-68.54	450.80	5.81	-62.73
CCC1CN(CC(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030806581	0	55	0.0	-64.30	423.41	5.78	-58.52
CCC1C[NH+](CC(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030806581	1	55	0.0	-64.30	423.41	5.78	-58.52
C[N@@H+]1CCC[C@H]1C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030806586	0	52	0.0	-65.26	386.07	4.89	-60.37
O=C(CC[N@H+]1CCC(F)C1)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030806592	0	55	0.0	-68.85	425.13	5.69	-63.16
CC1C(C(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030806611	0	55	0.0	-64.35	408.35	4.95	-59.40
CC1C(C(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030806611	1	55	0.0	-64.35	408.35	4.95	-59.40
CN1CCOCC1CC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030806640	0	56	0.0	-56.89	418.28	3.74	-53.15
C[N@@H+]1CCOCC1CC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030806640	1	56	0.0	-64.85	408.17	3.91	-60.94
C[N@H+]1CCOCC1CC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030806640	1	56	0.0	-64.85	408.17	3.91	-60.94
C[N@@H+]1CCCC1C(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030806811	0	52	0.0	-62.93	391.56	5.20	-57.73
O=C(CC[NH+]1CCOCC1)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030806989	1	56	0.0	-67.56	433.36	4.24	-63.32
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC(=O)[N-]O1	REAL300030807002	1	50	0.0	-78.34	394.77	7.33	-71.01
C[N@@H+]1CCC(CC(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030807030	0	55	0.0	-70.32	414.20	5.90	-64.42
C[N@H+]1CCC(CC(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030807030	1	55	0.0	-67.16	423.92	5.81	-61.35
CCC(C(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030807037	0	54	0.0	-59.00	403.73	4.98	-54.02
C[NH+](C)CCCCC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030807072	0	57	0.0	-68.82	442.92	6.28	-62.54
CCC[N@H+](C)CCC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030807087	0	57	0.0	-66.79	431.20	6.46	-60.33
CCC[N@@H+](C)CCC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030807087	1	57	0.0	-67.06	431.20	6.46	-60.60
CCC[N@H+](C)CC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030807090	0	54	0.0	-64.65	408.84	5.88	-58.77
CCC[N@@H+](C)CC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030807090	1	54	0.0	-64.29	408.83	5.90	-58.39
O=C(NCC1C(C2CC2)CCN1C(=O)C12CC[N@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300030807102	0	56	0.0	-69.96	405.50	5.03	-64.93
O=C(NCC1C(C2CC2)CCN1C(=O)C12CC[N@@H+](C1)CCC2)C1=CC(=O)[N-]O1	REAL300030807102	1	56	0.0	-71.44	404.15	5.06	-66.38
CC1CC[NH+](CC(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030807132	0	58	0.0	-63.92	440.66	6.67	-57.25
C[NH+](C)CC1(C(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030807163	0	55	0.0	-71.47	417.70	5.76	-65.71
CC[N@H+](C)CCC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030807179	0	54	0.0	-66.08	409.70	5.72	-60.36
CC[N@@H+](C)CCC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030807179	1	54	0.0	-66.41	409.70	5.72	-60.69
O=C(NCC1C(C2CC2)CCN1C(=O)C1C[NH+]2CCC1CC2)C1=CC(=O)[N-]O1	REAL300030807196	0	56	0.0	-79.24	405.66	5.88	-73.36
C[NH+]1CCC(C(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030807236	0	55	0.0	-72.62	409.43	5.85	-66.77
CC[NH+](CC)CC(F)C(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030807298	0	57	0.0	-69.19	435.05	5.77	-63.42
CCC(C(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300030807331	0	60	0.0	-60.13	441.20	6.34	-53.79
CC1CCC[N@@H+]1CC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030807341	0	55	0.0	-59.58	420.47	5.67	-53.91
CC1CCC[N@H+]1CC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030807341	1	55	0.0	-61.30	423.11	5.96	-55.34
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030807383	0	58	0.0	-63.90	423.60	6.08	-57.82
CC(C)[N@H+]1CCCC1C(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030807383	1	58	0.0	-61.28	424.72	6.44	-54.84
CC1CC[N@H+](CC(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030807403	0	55	0.0	-63.37	424.34	5.84	-57.53
CC1CC[N@@H+](CC(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030807403	1	55	0.0	-64.86	413.92	6.16	-58.70
CC1(C)CC[N@H+](CC(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030807406	0	58	0.0	-62.30	438.78	6.32	-55.98
CC1(C)CC[N@@H+](CC(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030807406	1	58	0.0	-64.75	433.97	6.66	-58.09
C[N@H+](CC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030807407	0	60	0.0	-64.81	436.66	6.88	-57.93
C[N@@H+](CC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030807407	1	60	0.0	-63.30	440.07	7.08	-56.22
CC[C@@H](C(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030807414	0	54	0.0	-61.28	401.67	5.11	-56.17
CC1=[NH+]C=CN1CC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030807525	1	50	0.0	-62.53	399.04	6.10	-56.43
CC[N@@H+]1CCOC(C(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030807581	1	56	0.0	-75.66	411.61	5.03	-70.63
CC[N@H+]1CCOC(C(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030807581	1	56	0.0	-79.71	421.85	4.99	-74.72
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC(=O)[N-]O1	REAL300030807605	0	50	0.0	-69.96	394.43	7.31	-62.65
CC1=C[NH+]=CN1CC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030807608	1	50	0.0	-61.21	399.38	6.83	-54.38
C[C@@H]1[C@H](C(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030807614	0	55	0.0	-70.36	404.23	5.63	-64.73
C[C@@H]1[C@H](C(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030807614	1	55	0.0	-70.27	418.64	5.47	-64.80
CC[C@@H]1[C@@H](C(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030807616	0	58	0.0	-64.97	426.05	5.44	-59.53
CC[C@@H]1[C@@H](C(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030807616	1	58	0.0	-60.01	426.79	6.54	-53.47
CC1CCC(C)[NH+]1CC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030807622	0	58	0.0	-60.87	426.88	6.35	-54.52
O=C(CCC[NH+]1CCCC1)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030807625	0	58	0.0	-65.91	447.38	6.67	-59.24
O=C(CC[NH+]1CCCCC1)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030807628	0	58	0.0	-65.33	433.61	6.94	-58.39
C[N@H+](CC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030807710	0	55	0.0	-63.22	415.83	6.47	-56.75
C[N@@H+](CC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030807710	1	55	0.0	-63.45	423.69	6.21	-57.24
C[NH+]1CCC(C(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030807739	0	55	0.0	-72.62	409.43	5.85	-66.77
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030807763	0	52	0.0	-60.58	385.69	4.71	-55.87
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030807763	1	52	0.0	-63.45	390.69	5.34	-58.11
C[N@@H+]1CCCC1CCC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030807782	0	58	0.0	-67.26	436.04	6.97	-60.29
C[N@H+]1CCCC1CCC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030807782	1	58	0.0	-66.48	439.26	6.16	-60.32
CC1C(C(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030807890	0	55	0.0	-61.38	411.68	5.02	-56.36
CC1C(C(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030807890	1	55	0.0	-61.58	409.73	5.99	-55.59
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030807934	0	58	0.0	-66.33	412.28	5.99	-60.34
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030807934	1	58	0.0	-67.74	412.34	5.32	-62.42
C[C@@H](C(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030807948	0	51	0.0	-61.59	387.97	4.40	-57.19
C=CCC(C)(C(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030807962	0	58	0.0	-71.28	420.21	6.00	-65.28
O=C(CC[NH+]1CCCC1)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030807979	0	55	0.0	-65.54	417.94	6.24	-59.30
C[N@H+](CCO)CC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030807988	1	52	0.0	-63.83	397.69	1.91	-61.92
C[N@@H+](CCO)CC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030807988	1	52	0.0	-65.56	397.53	1.91	-63.65
C[N@H+]1CC=C(CC(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030808039	0	56	0.0	-63.92	433.18	6.34	-57.58
C[N@@H+]1CC=C(CC(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030808039	1	56	0.0	-64.48	426.62	6.59	-57.89
C[S+](C)CCC(O)C(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808047	0	54	0.0	-79.61	437.75	3.76	-75.85
CC1C[NH+](CC(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030808087	1	52	0.0	-64.34	402.89	5.05	-59.29
CC[N@@H+]1CCCC(C(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030808091	0	58	0.0	-55.70	424.70	6.48	-49.22
CC[N@H+]1CCCC(C(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030808091	1	58	0.0	-57.29	429.19	6.71	-50.58
NC1=[NH+]C=CC=C1CC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808095	0	51	0.0	-58.84	402.53	4.18	-54.66
O=C(NCC1C(C2CC2)CCN1C(=O)C1CCC[N@@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300030808101	0	56	0.0	-68.63	428.19	5.96	-62.67
O=C(NCC1C(C2CC2)CCN1C(=O)C1CCC[N@H+]1C1CC1)C1=CC(=O)[N-]O1	REAL300030808101	1	56	0.0	-64.99	413.51	5.93	-59.06
O=C(C=CC[NH+]1CCCC1)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808127	0	56	0.0	-69.60	438.69	6.51	-63.09
CC[N@H+](C)CC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808162	0	51	0.0	-64.50	386.03	5.02	-59.48
O=C(CN1CC2C=CC1C2)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808192	0	54	0.0	-59.98	407.12	6.23	-53.75
O=C(C[N@@H+]1CC2C=CC1C2)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808192	1	54	0.0	-60.86	407.72	6.28	-54.58
O=C(C[N@H+]1CC2C=CC1C2)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808192	1	54	0.0	-60.86	407.72	6.28	-54.58
CC(OCC[NH+](C)C)C(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808269	0	58	0.0	-65.81	447.62	5.62	-60.19
C[NH+](C)CCOCCC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808276	0	58	0.0	-68.51	454.31	4.93	-63.58
COCCN(C)CC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808278	0	55	0.0	-66.20	419.78	4.30	-61.90
COCC[N@H+](C)CC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808278	1	55	0.0	-63.93	419.94	4.31	-59.62
COCC[N@@H+](C)CC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808278	1	55	0.0	-63.93	419.94	4.31	-59.62
CC(CCC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030808281	0	57	0.0	-71.55	430.98	5.88	-65.67
CC[N@H+](CC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030808296	0	55	0.0	-61.71	423.07	6.11	-55.60
O=C(C[N@@H+]1CC2CCC1C2)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808326	0	56	0.0	-63.42	416.36	6.61	-56.81
O=C(C[N@H+]1CC2CCC1C2)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808326	1	56	0.0	-63.42	416.36	6.61	-56.81
CC(C[NH+](C)C)C(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808340	0	54	0.0	-67.78	412.40	5.44	-62.34
CCN1CCC1C(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808370	0	52	0.0	-60.70	398.71	4.78	-55.92
CC[N@@H+]1CCC1C(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808370	1	52	0.0	-65.76	391.39	4.87	-60.89
CC[N@H+]1CCC1C(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808370	1	52	0.0	-65.76	391.39	4.87	-60.89
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808379	0	60	0.0	-61.06	436.70	4.75	-56.31
CNC1=NC(C)=CC=C1C(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808404	0	54	0.0	-62.09	421.66	4.75	-57.34
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808404	1	54	0.0	-62.09	421.66	4.75	-57.34
CCCC(C(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030808413	0	57	0.0	-59.26	425.23	5.76	-53.50
CC(CC[NH+](C)C)C(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808430	0	57	0.0	-66.63	434.02	6.07	-60.56
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808486	0	58	0.0	-58.90	439.02	6.21	-52.69
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808486	1	58	0.0	-58.90	439.02	6.21	-52.69
C[NH+](C)CCCCCC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808488	0	60	0.0	-68.85	464.42	7.06	-61.79
CN1CCN(CC(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030808495	0	57	0.0	-63.21	432.78	3.57	-59.64
C[NH+]1CCN(CC(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030808495	1	57	0.0	-63.21	432.78	3.57	-59.64
CC1CN(C)CC(C(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030808543	0	56	0.0	-69.22	421.24	5.01	-64.21
CC1C[N@H+](C)CC(C(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030808543	1	56	0.0	-71.12	432.39	5.17	-65.95
CC1C[N@@H+](C)CC(C(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030808543	1	56	0.0	-71.12	432.39	5.17	-65.95
C[N@@H+]1CCCCC1C(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808594	0	55	0.0	-60.73	398.09	5.54	-55.19
C[N@@H+]1CCC(=CC(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030808654	0	53	0.0	-69.87	411.24	5.57	-64.30
C[N@H+]1CCC(=CC(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030808654	1	53	0.0	-69.87	411.24	5.57	-64.30
O=C(CNC1=CC=[NH+]C=C1)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808657	0	51	0.0	-66.32	413.27	3.39	-62.93
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808723	0	52	0.0	-60.02	387.51	4.92	-55.10
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030808805	0	55	0.0	-70.71	416.87	6.01	-64.70
C[N@@H+]1CC=CCC1CC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808813	0	56	0.0	-62.74	414.86	6.46	-56.28
C[N@H+]1CC=CCC1CC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808813	1	56	0.0	-62.74	414.86	6.46	-56.28
C[NH+](C)CCOCC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808848	0	55	0.0	-62.65	433.96	5.27	-57.38
[NH2+]=C1SC=CN1CC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808869	0	48	0.0	-57.59	395.37	4.54	-53.05
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808903	0	58	0.0	-67.04	445.12	5.59	-61.45
C[N@@H+]1CCCC(C(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030808926	0	55	0.0	-53.63	405.71	5.77	-47.86
C[N@H+]1CCCC(C(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030808926	1	55	0.0	-53.63	405.71	5.77	-47.86
O=C(C[NH+]1CCCCCC1)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808927	0	58	0.0	-65.58	420.57	6.53	-59.05
CN1C=C[N+](CC(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030808931	0	50	0.0	-64.03	400.84	7.99	-56.04
O=C(CN1CCC(O)CC1)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808950	0	56	0.0	-69.58	431.06	2.75	-66.83
O=C(C[NH+]1CCC(O)CC1)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808950	1	56	0.0	-69.58	431.06	2.75	-66.83
C[N@H+](CC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030808952	0	52	0.0	-61.78	407.49	5.61	-56.17
O=C(CC[N@H+]1CCC(F)C1)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808955	0	55	0.0	-69.62	427.79	5.85	-63.77
CC(CC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030808974	0	57	0.0	-67.53	435.28	6.23	-61.30
CN1CCOCC1CC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808993	0	56	0.0	-72.42	419.84	4.31	-68.11
C[N@@H+]1CCOCC1CC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808993	1	56	0.0	-66.22	411.80	4.13	-62.09
C[N@H+]1CCOCC1CC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808993	1	56	0.0	-66.22	411.80	4.13	-62.09
CC1=CC(N)=NC=C1C(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030809022	0	51	0.0	-71.83	404.78	3.58	-68.25
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030809022	1	51	0.0	-71.83	404.78	3.58	-68.25
CC1(O)CC[N@H+](CC(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030809048	0	56	0.0	-63.12	424.16	2.77	-60.35
C[NH+]1CC(CC(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030809074	0	52	0.0	-67.94	409.00	4.96	-62.98
C[N@H+](CCO)CCC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030809103	0	55	0.0	-64.79	420.06	2.47	-62.32
C[N@@H+](CCO)CCC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030809103	1	55	0.0	-64.79	420.06	2.47	-62.32
C[N@@H+]1CCCCC1CC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030809117	0	58	0.0	-69.60	436.99	6.47	-63.13
C[N@H+]1CCCCC1CC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030809117	1	58	0.0	-69.60	436.99	6.47	-63.13
CC1CCN1CC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030809131	0	52	0.0	-61.47	409.46	5.26	-56.21
CC1CC[N@@H+]1CC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030809131	1	52	0.0	-62.04	400.15	4.88	-57.16
CC1CC[N@H+]1CC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030809131	1	52	0.0	-62.04	400.15	4.88	-57.16
C[NH+](C)CC=CC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030809136	0	52	0.0	-71.33	413.61	5.35	-65.98
CC1(C)CN(CC(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030809141	0	55	0.0	-63.28	424.37	5.69	-57.59
CC1(C)C[NH+](CC(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030809141	1	55	0.0	-63.28	424.37	5.69	-57.59
C[NH+](C)CCSCC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030809161	0	55	0.0	-70.92	444.98	6.17	-64.75
O=C(C[N@H+]1CCCC1CO)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030809178	0	56	0.0	-62.19	424.04	2.05	-60.14
CC[NH+](CC)CC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030809182	0	54	0.0	-63.21	408.72	5.18	-58.03
O=C(CN1CCC1)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030809191	0	49	0.0	-64.15	388.05	4.64	-59.51
O=C(C[NH+]1CCC1)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030809191	1	49	0.0	-64.15	388.05	4.64	-59.51
CC[NH+](CC)CCC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030809216	0	57	0.0	-65.65	435.17	6.06	-59.59
CC(C(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1)N1CCC1	REAL300030809260	0	52	0.0	-63.19	402.65	5.26	-57.93
CC(C(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030809260	1	52	0.0	-63.19	402.65	5.26	-57.93
CCC(CC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030809265	0	60	0.0	-57.14	452.17	6.76	-50.38
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030809297	0	55	0.0	-58.75	416.26	5.76	-52.99
C[NH+](C)CC(O)CC(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030809318	0	55	0.0	-70.04	430.14	3.15	-66.89
C=CCC(C(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030809340	0	55	0.0	-58.94	417.14	5.51	-53.43
C[NH+](C)CCSCC(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030809410	0	55	0.0	-71.88	432.98	6.30	-65.58
CC[N@H+](C)CC(=O)NCC1=CN(C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)N=N1	REAL300030809573	0	53	0.0	-74.05	421.91	2.39	-71.66
CC[N@H+](C)CC(=O)N1CCC[C@H]1CN1C=C(CNC(=O)C2=CC(=O)[N-]O2)N=N1	REAL300030809772	0	53	0.0	-79.78	424.94	2.45	-77.33
O=C(CN1CCC1)N1CCC[C@H]1CN1C=C(CNC(=O)C2=CC(=O)[N-]O2)N=N1	REAL300030809841	0	51	0.0	-81.00	418.01	2.26	-78.74
O=C(C[NH+]1CCC1)N1CCC[C@H]1CN1C=C(CNC(=O)C2=CC(=O)[N-]O2)N=N1	REAL300030809841	1	51	0.0	-81.00	418.01	2.26	-78.74
CC1CC(CNC(=O)C2CCC[N@@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030810014	0	48	0.0	-64.94	367.16	2.50	-62.44
CC1CC(CNC(=O)C2CCC[N@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030810014	1	48	0.0	-62.84	373.61	3.01	-59.83
CC1CC(CNC(=O)C2C[N@H+](C)CCO2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030810038	1	49	0.0	-66.70	384.50	2.40	-64.30
CC1CC(CNC(=O)C2C[N@@H+](C)CCO2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030810038	1	49	0.0	-77.56	383.55	2.32	-75.24
CC(C)C1=[NH+]C=CN1CCC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030810222	1	55	0.0	-60.92	432.68	5.04	-55.88
CC(C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300030810229	0	57	0.0	-62.69	414.96	4.33	-58.36
CC(C)[N@@H+]1CCCCC1C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030810231	0	57	0.0	-58.38	420.39	4.39	-53.99
CC(C)[N@H+]1CCCCC1C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030810231	1	57	0.0	-58.94	414.05	4.53	-54.41
CC(C)[N@@H+]1CCCC1C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030810265	0	54	0.0	-59.94	400.12	4.19	-55.75
CC(C)[N@H+]1CCCC1C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030810265	1	54	0.0	-60.96	406.26	4.03	-56.93
CC1CC(CNC(=O)C2CC3CCCC[N@@H+]3C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030810291	0	55	0.0	-60.09	414.84	4.66	-55.43
CC1CC(CNC(=O)C2CC3CCCC[N@H+]3C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030810291	1	55	0.0	-65.15	414.62	4.70	-60.45
CC(C)C1=[NH+]C=CN1CC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030810324	1	52	0.0	-61.62	411.59	4.59	-57.03
CC1=[NH+]C=CN1CC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030810378	1	46	0.0	-62.41	375.37	3.48	-58.93
CC(C[NH+]1CCOCC1)C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030810380	0	55	0.0	-66.17	418.45	2.70	-63.47
CC1CC(CNC(=O)CCC[NH+]2CCCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030810402	0	57	0.0	-66.07	432.12	5.15	-60.92
CC1CC(CNC(=O)C(C)(C)[NH+]2CCCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030810429	0	57	0.0	-62.16	415.29	4.84	-57.32
CC1CC(CNC(=O)C2C[NH+]3CCC2CC3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030810448	0	52	0.0	-64.52	387.31	3.64	-60.88
CC1CC(CNC(=O)C2CCCC3CCC[N@@H+]32)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030810506	0	55	0.0	-59.48	411.96	4.75	-54.73
CC1CC(CNC(=O)C2CCCC3CCC[N@H+]32)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030810506	1	55	0.0	-61.59	403.57	4.45	-57.14
CC1CC(CNC(=O)C2=CN(CC[NH+](C)C)N=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030810508	0	54	0.0	-76.17	431.40	3.43	-72.74
CC1CC(CNC(=O)C2=NN(CC[NH+](C)C)C=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030810523	0	54	0.0	-68.66	431.76	3.43	-65.23
CC1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030810530	0	51	0.0	-63.16	384.95	3.19	-59.97
CC1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030810530	1	51	0.0	-69.77	388.71	3.13	-66.64
CCC1=[NH+]C=CN1C(C)CC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030810533	1	55	0.0	-59.78	433.03	5.15	-54.63
CC[C@@H]1[C@@H](C(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030810536	0	54	0.0	-66.60	404.07	3.63	-62.97
CC[C@@H]1[C@@H](C(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030810536	1	54	0.0	-64.02	409.52	3.97	-60.05
CC[N@@H+]1CCOC(C(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030810562	1	52	0.0	-71.63	402.74	3.03	-68.60
CC[N@H+]1CCOC(C(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030810562	1	52	0.0	-59.33	395.51	2.89	-56.44
CC[NH+](CC)CC(F)C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030810622	0	53	0.0	-66.93	409.02	3.85	-63.08
CC1CC(CNC(=O)C2=C(C[NH+](C)C)C=CS2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030810623	0	51	0.0	-60.25	411.60	4.45	-55.80
CC1CC(CNC(=O)C[NH+]2C(C)CCC2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030810728	0	54	0.0	-60.75	404.21	3.97	-56.78
CC1CC(CNC(=O)CCC[NH+]2CCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030810735	0	54	0.0	-66.23	415.29	4.38	-61.85
CC1CC(CNC(=O)C2=CC=CC(C[NH+](C)C)=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030810736	0	54	0.0	-69.84	425.23	5.41	-64.43
C#CC[NH+]1CCC(C(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030810743	0	53	0.0	-65.77	417.13	4.83	-60.94
CC1CC(CNC(=O)CC[NH+]2CCCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030810744	0	54	0.0	-64.91	411.07	4.38	-60.53
CC1CC(CNC(=O)C2=CC=CC=C2C[NH+](C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030810748	0	54	0.0	-59.42	416.83	5.58	-53.84
CC[N@@H+]1CCCCC1C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030810757	0	54	0.0	-61.32	396.22	3.97	-57.35
CC[N@H+]1CCCCC1C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030810757	1	54	0.0	-61.71	396.34	3.92	-57.79
CC(C)C(C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300030810758	0	60	0.0	-62.18	436.50	6.04	-56.14
CC1CC(CNC(=O)C(C2=CC=CC=C2)[NH+](C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030810761	1	54	0.0	-60.92	421.79	5.44	-55.48
CC(C)C[N@@H+]1CCC(C(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030810787	0	57	0.0	-65.64	433.53	4.95	-60.69
CC(C)C[N@H+]1CCC(C(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030810787	1	57	0.0	-65.97	433.58	4.89	-61.08
CC1CC(CNC(=O)C2([NH+](C)C)CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030810791	0	51	0.0	-61.11	380.54	3.56	-57.55
CC1CC(CNC(=O)C(CN2C=CC=N2)[NH+](C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030810793	1	54	0.0	-64.35	420.06	3.19	-61.16
CC(C)[N@@H+]1CCCC1CC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030810798	0	57	0.0	-58.19	418.35	4.03	-54.16
CC(C)[N@H+]1CCCC1CC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030810798	1	57	0.0	-61.00	417.54	4.07	-56.93
CC1CC(CNC(=O)C2CCC[N@@H+]2C2CCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030810799	0	58	0.0	-60.32	423.09	5.30	-55.02
CC1CC(CNC(=O)C2CCC[N@H+]2C2CCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030810799	1	58	0.0	-61.06	433.23	5.27	-55.79
CC(C)[C@@H](C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030810820	0	53	0.0	-67.11	395.13	4.08	-63.03
CC1CC(CNC(=O)C[N@H+](C)C2CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030810882	0	51	0.0	-64.13	392.17	3.85	-60.28
CC1CC(CNC(=O)C[N@@H+](C)C2CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030810882	1	51	0.0	-63.12	392.04	3.85	-59.27
CC(C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300030810968	0	57	0.0	-59.32	416.62	4.37	-54.95
CC1CC(CNC(=O)CCN(C)C2=CC=[NH+]C=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811047	0	53	0.0	-65.51	421.81	3.62	-61.89
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030811059	1	50	0.0	-63.70	393.96	3.65	-60.05
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030811059	1	50	0.0	-62.34	398.98	4.21	-58.13
CC1CC(CNC(=O)CCC2CCC[N@@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811069	0	54	0.0	-66.33	409.32	4.01	-62.32
CC1CC(CNC(=O)CCC2CCC[N@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811069	1	54	0.0	-66.66	410.95	4.33	-62.33
CC1CC(CNC(=O)C23CCC[NH+](CCC2)C3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811082	0	55	0.0	-66.75	404.53	4.16	-62.59
CC1CC(CNC(=O)C2CCC3CCCC[N@@H+]32)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811090	0	55	0.0	-59.00	415.40	4.88	-54.12
CC1CC(CNC(=O)C2CCC3CCCC[N@H+]32)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811090	1	55	0.0	-59.97	408.30	4.41	-55.56
CC1CC(CNC(=O)C(C)(C)C[NH+]2CCOCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811098	0	58	0.0	-62.08	428.07	2.99	-59.09
CC1CC(CNC(=O)CCCC[NH+]2CCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811118	0	57	0.0	-66.97	438.40	5.27	-61.70
CC1CC(CNC(=O)C[N@H+](C)CC2=CC=CC=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811121	1	54	0.0	-67.46	423.78	5.53	-61.93
CC1CC(CNC(=O)C[N@@H+](C)CC2=CC=CC=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811121	1	54	0.0	-67.19	423.72	5.54	-61.65
CC1CC(CNC(=O)C2CC[NH+](C)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811138	0	51	0.0	-67.16	390.50	3.52	-63.64
CC1CC(CNC(=O)C2=NOC(C[NH+](C)C)=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811198	1	50	0.0	-75.51	405.07	2.90	-72.61
CC1=C(C(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300030811200	0	49	0.0	-61.75	399.41	5.70	-56.05
CC1CC(CNC(=O)C2CCCC[N@@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811243	0	51	0.0	-64.03	389.23	3.49	-60.54
CC1CC(CNC(=O)C2CCCC[N@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811243	1	51	0.0	-63.20	389.15	3.55	-59.65
CC(C)C[N@@H+]1CCCC1C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030811274	0	57	0.0	-61.61	421.74	5.17	-56.44
CC(C)C[N@H+]1CCCC1C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030811274	1	57	0.0	-62.79	421.13	5.20	-57.59
CC1CC(CNC(=O)C2=CN3C=[NH+]C=C3C=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811431	0	46	0.0	-66.74	377.24	5.44	-61.30
CC1=[NH+]C=CN1CCCC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030811444	1	52	0.0	-64.08	418.24	4.80	-59.28
CC1CC(CNC(=O)CCCC[NH+]2CCOCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811448	1	58	0.0	-69.87	445.36	3.54	-66.33
CC1CC(CNC(=O)C2=CC=C(C[NH+](C)C)C=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811454	0	54	0.0	-69.93	425.57	5.46	-64.47
CC1CC(CNC(=O)CC[NH+]2CCOCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811455	1	52	0.0	-68.95	402.54	1.91	-67.04
CCC[NH+](CCC)CCCC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030811480	0	62	0.0	-66.48	469.65	6.16	-60.32
CC1=C[NH+]=CN1CC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030811500	1	46	0.0	-65.63	376.09	4.28	-61.35
CC1CC(CNC(=O)CN2C=[NH+]C3=C2CCCC3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811511	1	53	0.0	-64.70	418.66	6.02	-58.68
CC1CC(CNC(=O)C2(C[NH+](C)C)CCCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811555	0	60	0.0	-73.97	430.32	5.54	-68.43
CC1CC(CNC(=O)CC[N@H+](C)C2CCCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811561	0	60	0.0	-65.40	445.48	5.53	-59.87
CC1CC(CNC(=O)CC[N@@H+](C)C2CCCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811561	1	60	0.0	-66.02	445.49	5.55	-60.47
CC1CC(CNC(=O)C23CCC[NH+]2CCC3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811566	0	52	0.0	-59.15	391.86	3.88	-55.27
CC1CC(CNC(=O)C2CCCC([NH+](C)C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811605	0	57	0.0	-64.43	419.38	4.63	-59.80
CC1CC(CNC(=O)CC2CC[N@H+](C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811610	0	51	0.0	-67.17	393.61	3.49	-63.68
CC1CC(CNC(=O)CC2CC[N@@H+](C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811610	1	51	0.0	-67.33	393.81	3.48	-63.85
CC1CC(CNC(=O)C2=C[NH+]=CC=C2N(C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811624	0	50	0.0	-70.13	396.67	2.66	-67.47
CCC(C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030811630	0	50	0.0	-61.33	377.33	2.96	-58.37
CC1CC(CNC(=O)CC2([NH+](C)C)CCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811650	0	57	0.0	-67.85	409.78	4.29	-63.56
CC1CC(CNC(=O)C2=CC3=C[NH+]=CN3C=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811715	1	46	0.0	-68.15	377.51	5.46	-62.69
CC1CC(CNC(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811758	1	49	0.0	-76.34	405.64	3.30	-73.04
CC1CC(CNC(=O)CCCC[NH+](C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811792	0	53	0.0	-68.32	412.46	4.09	-64.23
CC(C)C(C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030811814	0	53	0.0	-60.70	391.31	3.49	-57.21
CCC[N@H+](C)CCC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030811816	0	53	0.0	-66.20	408.67	3.91	-62.29
CCC[N@@H+](C)CCC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030811816	1	53	0.0	-66.89	408.86	3.85	-63.04
CCC[N@H+](C)CC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030811822	0	50	0.0	-65.40	385.17	3.27	-62.13
CCC[N@@H+](C)CC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030811822	1	50	0.0	-64.23	386.30	3.36	-60.87
CC1CC(CNC(=O)C23CC[N@H+](C2)CCC3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811852	0	52	0.0	-64.62	389.05	3.15	-61.47
CC1CC(CNC(=O)C23CC[N@@H+](C2)CCC3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811852	1	52	0.0	-66.66	389.08	3.15	-63.51
CC1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811916	0	48	0.0	-62.67	374.07	2.92	-59.75
CC1CC(CNC(=O)[C@H]2CCC[N@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811916	1	48	0.0	-62.52	366.17	2.39	-60.13
CC1CC2CCC(C(=O)NCC3CC(C)N(C(=O)C4=CC(=O)[N-]O4)C3)C[N@@H+]2C1	REAL300030811943	0	58	0.0	-63.23	435.10	5.29	-57.94
CC1CC2CCC(C(=O)NCC3CC(C)N(C(=O)C4=CC(=O)[N-]O4)C3)C[N@H+]2C1	REAL300030811943	1	58	0.0	-63.03	435.53	5.30	-57.73
CCCCCC[N@H+](C)CC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030811994	0	59	0.0	-66.48	449.67	5.61	-60.87
CCCCCC[N@@H+](C)CC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030811994	1	59	0.0	-66.64	449.66	5.63	-61.01
CC[NH+](CC)C(C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300030812003	0	59	0.0	-59.24	428.07	5.08	-54.16
CC[NH+](CC)CC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030812013	0	50	0.0	-62.32	378.68	3.03	-59.29
CCC[N@@H+]1CCCC(C(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030812047	0	57	0.0	-65.58	431.36	4.95	-60.63
CCC[N@H+]1CCCC(C(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030812047	1	57	0.0	-64.76	431.14	5.00	-59.76
CC(C)[N@@H+]1CCOC(C(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030812070	0	55	0.0	-64.21	419.35	3.59	-60.62
CC(C)[N@H+]1CCOC(C(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030812070	1	55	0.0	-67.82	412.42	3.41	-64.41
CC1CC(CNC(=O)C[NH+]2CCC(C)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030812110	0	54	0.0	-64.89	410.23	4.38	-60.51
CC1CC(CNC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030812141	1	49	0.0	-76.69	405.25	3.32	-73.37
CC1CC(CNC(=O)COC2CC[NH+](C)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030812150	0	55	0.0	-72.27	427.05	4.05	-68.22
CC1CC(CNC(=O)C2(C[NH+](C)C)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030812167	0	51	0.0	-68.67	398.94	3.66	-65.01
CC1=[NH+]C=C2CCC(C(=O)NCC3CC(C)N(C(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300030812168	1	53	0.0	-60.22	414.69	4.69	-55.53
CC(C)[NH+]1CCC(C(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030812269	0	57	0.0	-62.85	422.58	4.58	-58.27
CC1CC(CNC(=O)C2CC[NH+](C)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030812299	0	51	0.0	-67.16	390.50	3.52	-63.64
CC(C)[C@H](C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030812322	0	53	0.0	-64.67	396.15	4.21	-60.46
CCC(C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030812359	0	56	0.0	-59.01	409.72	3.99	-55.02
CC[N@H+](C)CCC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030812454	0	50	0.0	-65.58	387.17	3.16	-62.42
CC[N@@H+](C)CCC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030812454	1	50	0.0	-65.38	387.17	3.16	-62.22
CC1CC(CNC(=O)C[N@@H+]2CCCC2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030812530	0	51	0.0	-62.40	392.45	3.68	-58.72
CC1CC(CNC(=O)C[N@H+]2CCCC2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030812530	1	51	0.0	-61.37	386.06	3.36	-58.01
CC1CC[N@H+](CC(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030812532	0	51	0.0	-63.66	393.86	3.56	-60.10
CC1CC[N@@H+](CC(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030812532	1	51	0.0	-65.66	391.46	3.53	-62.13
CC1CC(CNC(=O)C2(F)CC[N@@H+](C(C)(C)C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030812533	0	57	0.0	-60.11	429.45	4.26	-55.85
CC1CC(CNC(=O)C2(F)CC[N@H+](C(C)(C)C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030812533	1	57	0.0	-60.26	429.23	4.21	-56.05
CC1=[NH+]C=C2CC(C(=O)NCC3CC(C)N(C(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300030812535	1	53	0.0	-62.42	415.58	4.67	-57.75
CC1CC(CNC(=O)C[N@@H+]2CCC(C)(C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030812538	0	54	0.0	-64.00	412.50	4.18	-59.82
CC1CC(CNC(=O)C[N@H+]2CCC(C)(C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030812538	1	54	0.0	-63.89	412.29	4.15	-59.74
CC1CC(CNC(=O)C[N@H+](C)CC(C)(C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030812539	0	56	0.0	-65.29	415.72	4.42	-60.87
CC1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030812539	1	56	0.0	-63.23	416.70	4.44	-58.79
CC[C@@H](C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030812550	0	50	0.0	-63.66	377.49	2.96	-60.70
CC(COCC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCC1	REAL300030812558	0	58	0.0	-65.56	445.67	4.71	-60.85
CC1CC(CNC(=O)C2CC[NH+](CC3CC3)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030812646	0	58	0.0	-67.91	439.71	5.73	-62.18
CC1CC(CNC(=O)CC2(O)CC[NH+](C)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030812796	0	55	0.0	-66.68	417.61	2.27	-64.41
COCC[N@@H+]1CCCC1CC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030812803	0	58	0.0	-63.91	436.26	3.24	-60.67
COCC[N@H+]1CCCC1CC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030812803	1	58	0.0	-63.30	438.86	2.98	-60.32
CC1CC(CNC(=O)C[NH+](C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030812811	0	44	0.0	-64.81	347.10	1.95	-62.86
CC1CC(CNC(=O)C[NH+]2CCC(CO)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030812816	1	55	0.0	-65.50	420.86	1.12	-64.38
CC1CC(CNC(=O)C[NH+]2CCCCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030812820	0	54	0.0	-62.92	398.15	4.01	-58.91
CC1CC(CNC(=O)C[N+]2=CN(C)C=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030812825	0	46	0.0	-63.70	378.33	5.46	-58.24
CC1CC(CNC(=O)C2CCC[N@H+](C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030812836	0	51	0.0	-62.70	385.74	3.74	-58.96
CC1CC(CNC(=O)C2CCC[N@@H+](C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030812836	1	51	0.0	-66.06	391.64	3.56	-62.50
CC1CC(CNC(=O)C2CCC[N@@H+]2C2CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030812842	0	52	0.0	-59.61	400.57	4.02	-55.59
CC1CC(CNC(=O)C2CCC[N@H+]2C2CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030812842	1	52	0.0	-63.96	397.78	3.76	-60.20
CC(C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030812879	1	48	0.0	-61.57	375.29	3.00	-58.57
CCC(CC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030812888	0	56	0.0	-68.35	418.61	4.43	-63.92
CC1CC(CNC(=O)C(C)(C)C[NH+](C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030812897	0	53	0.0	-58.92	396.23	3.81	-55.11
CC1CC(CNC(=O)C23CC(C2)C[N@@H+]3C2CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030812920	0	53	0.0	-60.26	399.52	4.41	-55.85
CC1CC(CNC(=O)C23CC(C2)C[N@H+]3C2CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030812920	1	53	0.0	-57.79	403.73	5.18	-52.61
CC1CC(CNC(=O)C[NH+]2CCC(O)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030812943	1	52	0.0	-67.25	400.27	0.48	-66.77
CC1CC(CNC(=O)C[N@H+](C)C2CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030812945	0	48	0.0	-61.92	376.50	3.36	-58.56
CC1CC(CNC(=O)C[N@@H+](C)C2CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030812945	1	48	0.0	-61.60	376.34	3.36	-58.24
CC(C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300030812946	1	56	0.0	-66.17	418.04	1.76	-64.41
CC1CC(CNC(=O)CC2C[NH+](C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030812975	0	48	0.0	-68.07	378.71	2.72	-65.35
CC1CC(CNC(=O)C2CC[N@@H+]2C2CCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030812979	0	55	0.0	-62.61	413.24	4.42	-58.19
CC1CC(CNC(=O)C2CC[N@H+]2C2CCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030812979	1	55	0.0	-63.26	412.93	4.36	-58.90
CC1CC(CNC(=O)C2CC[N@@H+]2C(C)(C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030812987	0	54	0.0	-63.80	407.72	3.59	-60.21
CC1CC(CNC(=O)C2CC[N@H+]2C(C)(C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030812987	1	54	0.0	-59.27	391.03	3.49	-55.78
CC1CC(CNC(=O)C2CCN(C3=CC=[NH+]C=C3)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030812998	0	54	0.0	-69.09	426.04	2.66	-66.43
C[C@@H](C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030813001	0	47	0.0	-61.83	365.20	2.35	-59.48
CCC1CCC[N@H+](CC(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030813053	0	57	0.0	-64.11	428.53	5.06	-59.05
CCC1CCC[N@@H+](CC(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030813053	1	57	0.0	-66.09	427.06	4.96	-61.13
CC1CC(CNC(=O)C2=CC=C(C[NH+](C)C)N2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813062	0	52	0.0	-69.60	413.94	3.12	-66.48
CC1CC(CNC(=O)CC2CC3CCC(C2)[NH+]3C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813077	0	58	0.0	-68.47	412.80	4.40	-64.07
CC1CC(CNC(=O)CN2C=CSC2=[NH2+])CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813123	0	44	0.0	-60.59	373.01	2.04	-58.55
CC1CC(CNC(=O)CC[N@H+](C)CCO)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813136	0	51	0.0	-65.93	397.72	-0.11	-66.04
CC1CC(CNC(=O)CC[N@@H+](C)CCO)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813136	1	51	0.0	-65.99	397.50	-0.07	-66.06
C[C@@H](C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030813137	0	47	0.0	-61.83	365.20	2.35	-59.48
CC1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813141	0	51	0.0	-64.04	389.57	3.51	-60.53
CC1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813141	1	51	0.0	-61.80	380.02	3.40	-58.40
CC1CC(CNC(=O)C2C[N@@H+]3CCN2CC3C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813151	0	54	0.0	-70.11	400.10	0.88	-69.23
CC1CC(CNC(=O)C2C[N@H+]3CCN2CC3C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813151	1	54	0.0	-61.38	399.98	0.92	-60.46
COC1C[N@@H+]2CCCC2(C(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030813200	0	56	0.0	-69.05	423.67	2.89	-66.16
COC1C[N@H+]2CCCC2(C(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030813200	1	56	0.0	-64.28	425.52	2.88	-61.40
CC1CC(CNC(=O)CC2=CC3=C[NH+]=CN3C=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813216	0	49	0.0	-67.88	401.69	6.08	-61.80
CC1CC(CNC(=O)C[N@H+](C)C2CCSC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813249	0	52	0.0	-68.29	406.43	4.17	-64.12
CC1CC(CNC(=O)C[N@@H+](C)C2CCSC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813249	1	52	0.0	-68.78	406.43	4.19	-64.59
CC1CC(CNC(=O)C[NH+]2CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813250	1	45	0.0	-65.35	356.05	2.29	-63.06
CC1CC(CNC(=O)C2=CC=NC(C[NH+](C)C)=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813288	1	53	0.0	-68.76	421.24	3.98	-64.78
CC1CC(CNC(=O)C=C2CC[N@H+](C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813290	0	49	0.0	-70.65	386.13	3.44	-67.21
CC1CC(CNC(=O)C=C2CC[N@@H+](C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813290	1	49	0.0	-70.60	385.47	3.48	-67.12
CC1CC(CNC(=O)C2C[NH+](C3CCCCC3)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813317	0	58	0.0	-62.34	438.59	5.30	-57.04
CC1CC(CNC(=O)COCC[NH+](C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813335	0	51	0.0	-67.58	402.96	3.02	-64.56
CCCCC[N@H+](C)CCC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030813342	0	59	0.0	-67.10	451.67	5.47	-61.63
CCCCC[N@@H+](C)CCC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030813342	1	59	0.0	-67.77	451.86	5.41	-62.36
CC1CC(CNC(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813352	0	55	0.0	-70.63	423.43	4.07	-66.56
C=CCC(C)(C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030813364	0	54	0.0	-65.24	401.81	4.18	-61.06
CC1CC(CNC(=O)C(O)CC[S+](C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813369	0	50	0.0	-58.51	411.95	1.60	-56.91
CC1CC(CNC(=O)C2(C)CC(O)C[N@@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813404	0	52	0.0	-67.13	395.74	0.00	-67.13
CC1CC(CNC(=O)C2CN(C)CC[N@H+](C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813419	0	56	0.0	-65.89	417.59	2.08	-63.81
CC1CC(CNC(=O)C2CN(C)CC[N@@H+](C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813419	1	56	0.0	-65.89	417.59	2.08	-63.81
CC(C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300030813420	0	55	0.0	-64.42	418.22	0.78	-63.64
CC1CC(CNC(=O)CN2CCC(CO)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813435	0	55	0.0	-65.50	420.86	1.12	-64.38
CC1CC(CNC(=O)C[NH+]2CCC(CO)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813435	1	55	0.0	-65.50	420.86	1.12	-64.38
CC1CC(CNC(=O)CC2(O)CCC[N@H+](C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813445	0	55	0.0	-65.52	414.72	2.37	-63.15
CC1CC(CNC(=O)CC2(O)CCC[N@@H+](C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813445	1	55	0.0	-65.52	414.72	2.37	-63.15
CC1CN(CC(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030813449	0	48	0.0	-65.62	377.22	2.96	-62.66
CC1C[NH+](CC(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030813449	1	48	0.0	-65.62	377.22	2.96	-62.66
CC1CC(CNC(=O)CN(C)CCO)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813479	0	48	0.0	-66.97	374.02	-0.70	-67.67
CC1CC(CNC(=O)C[N@H+](C)CCO)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813479	1	48	0.0	-65.06	373.80	-0.71	-65.77
CC1CC(CNC(=O)C[N@@H+](C)CCO)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813479	1	48	0.0	-65.06	373.80	-0.71	-65.77
CC1CC(CNC(=O)C=C2CC3CCC(C2)[NH+]3C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813502	0	56	0.0	-68.86	419.00	4.79	-64.07
CC1CC(CNC(=O)C2C[N@@H+]3CCN2CCC3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813507	0	54	0.0	-71.74	397.04	1.77	-69.97
CC1CC(CNC(=O)C2C[N@H+]3CCN2CCC3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813507	1	54	0.0	-71.74	397.04	1.77	-69.97
CC[N@@H+]1CCCC(C(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030813516	0	54	0.0	-61.22	403.07	4.41	-56.81
CC[N@H+]1CCCC(C(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030813516	1	54	0.0	-61.22	403.07	4.41	-56.81
CC(CC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030813518	0	53	0.0	-65.59	404.21	3.93	-61.66
CC[N@H+](C)CC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030813534	0	47	0.0	-63.88	364.80	2.62	-61.26
CC1CC(CNC(=O)C23CCC[N@@H+]2CCCC3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813563	0	55	0.0	-60.98	401.63	4.48	-56.50
CC1CC(CNC(=O)C23CCC[N@H+]2CCCC3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813563	1	55	0.0	-60.98	401.63	4.48	-56.50
CC1CC(CNC(=O)C23CCC[N@@H+]2CC=CC3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813573	0	53	0.0	-58.48	393.87	4.41	-54.07
CC1CC(CNC(=O)C23CCC[N@H+]2CC=CC3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813573	1	53	0.0	-58.48	393.87	4.41	-54.07
CC[N@H+](CC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030813601	0	51	0.0	-61.40	393.44	3.92	-57.48
CC[NH+](CC)CCC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030813626	0	53	0.0	-64.92	400.70	3.60	-61.32
CC1CC(CNC(=O)CN2CC(C)(C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813660	0	51	0.0	-63.93	397.68	3.57	-60.36
CC1CC(CNC(=O)C[NH+]2CC(C)(C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813660	1	51	0.0	-63.93	397.68	3.57	-60.36
CC1CC(CNC(=O)CCCC[NH+]2CCCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813666	0	60	0.0	-67.07	453.62	5.94	-61.13
CC1CC(CNC(=O)C[N@@H+]2CCC(C)(O)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813701	0	52	0.0	-65.36	402.13	0.26	-65.10
CC1CC(CNC(=O)C=CC[NH+](C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813714	0	48	0.0	-68.19	384.32	3.20	-64.99
CC(OCC[NH+](C)C)C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030813741	0	54	0.0	-66.98	422.75	3.70	-63.28
CC1CC(CNC(=O)CCOCC[NH+](C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813752	0	54	0.0	-65.34	423.92	2.75	-62.59
COCCN(C)CC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030813753	0	51	0.0	-64.63	396.06	1.70	-62.93
COCC[N@H+](C)CC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030813753	1	51	0.0	-66.98	396.27	1.70	-65.28
COCC[N@@H+](C)CC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030813753	1	51	0.0	-66.98	396.27	1.70	-65.28
COCCCC[N@H+](C)CCC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030813785	0	60	0.0	-70.42	464.03	3.70	-66.72
COCCCC[N@@H+](C)CCC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030813785	1	60	0.0	-70.42	464.03	3.70	-66.72
CC1CC(CNC(=O)C2([NH+](C)C)CCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813811	0	54	0.0	-66.06	397.21	4.04	-62.02
CC(CCC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030813814	0	53	0.0	-65.09	400.74	3.68	-61.41
CCN1CCC1C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030813824	0	48	0.0	-61.51	370.40	2.51	-59.00
CC[N@@H+]1CCC1C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030813824	1	48	0.0	-65.09	377.80	2.88	-62.21
CC[N@H+]1CCC1C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030813824	1	48	0.0	-65.09	377.80	2.88	-62.21
CC(C)[N@@H+]1CCCC(C(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030813837	0	57	0.0	-62.84	425.99	4.74	-58.10
CC(C)[N@H+]1CCCC(C(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030813837	1	57	0.0	-62.84	425.99	4.74	-58.10
CC1CC(CNC(=O)C[N@@H+]2CCCC2CO)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813852	0	52	0.0	-63.06	400.81	0.54	-62.52
CC1CC(CNC(=O)C[N@H+]2CCCC2CO)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813852	1	52	0.0	-62.62	402.38	0.49	-62.13
CC1CC(CNC(=O)C2CC3CCCC[N@@H+]3C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813879	0	55	0.0	-60.09	414.84	4.66	-55.43
CC1CC(CNC(=O)C2CC3CCCC[N@H+]3C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813879	1	55	0.0	-65.15	414.62	4.70	-60.45
CC1CC(CNC(=O)C2(C)CC[NH+](C)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813888	0	54	0.0	-60.58	404.53	3.98	-56.60
CC1CC(CNC(=O)C2=CC(C[NH+](C)C)=CN2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813894	0	52	0.0	-69.63	413.47	3.21	-66.42
CC(C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC(O)CC1	REAL300030813915	0	55	0.0	-63.57	417.95	0.85	-62.72
C=CCC(C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030813931	0	51	0.0	-63.77	393.71	3.62	-60.15
CC1CC(CNC(=O)C2CC(C)(C)C[N@@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813949	0	54	0.0	-63.71	413.26	4.17	-59.54
CC1CC(CNC(=O)C2CC(C)(C)C[N@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813949	1	54	0.0	-62.93	413.09	4.07	-58.86
CC1CC(CNC(=O)CCCCC[NH+](C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813954	0	56	0.0	-68.95	433.95	4.88	-64.07
CC1CC(CNC(=O)C[NH+]2CC3CC3C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813965	0	49	0.0	-65.02	381.27	3.75	-61.27
CC1CC(CNC(=O)C2C[N@@H+]3CCN2C(C)C3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814002	0	54	0.0	-63.78	400.49	0.99	-62.79
CC1CC(CNC(=O)C2C[N@H+]3CCN2C(C)C3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814002	1	54	0.0	-66.98	393.16	1.68	-65.30
CCCC(C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030814003	0	53	0.0	-65.01	401.20	3.86	-61.15
CC1CC(CNC(=O)C(C)(C)[NH+](C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814008	0	50	0.0	-64.36	374.56	3.12	-61.24
CC[NH+](CC)CCSCC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030814049	0	57	0.0	-68.98	445.23	4.97	-64.01
CC1CC(CNC(=O)C2CCCC[N@@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814061	0	51	0.0	-64.03	389.23	3.49	-60.54
CC1CC(CNC(=O)C2CCCC[N@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814061	1	51	0.0	-63.20	389.15	3.55	-59.65
CC1CC(CNC(=O)CC2=CC[N@H+](C)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814113	0	52	0.0	-68.75	405.37	4.17	-64.58
CC1CC(CNC(=O)CC2=CC[N@@H+](C)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814113	1	52	0.0	-66.84	406.76	4.25	-62.59
CC1CC(CNC(=O)CC2([NH+]3CCCC3)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814123	0	55	0.0	-61.54	412.91	4.68	-56.86
CC1CC(CNC(=O)C(C)(C)C2CCC[N@H+](C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814182	0	60	0.0	-68.38	437.30	5.02	-63.36
CC1CC(CNC(=O)C(C)(C)C2CCC[N@@H+](C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814182	1	60	0.0	-68.38	437.30	5.02	-63.36
CC1CC(CNC(=O)C2=CC=C(CN(C)C)O2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814187	0	51	0.0	-68.85	410.59	3.66	-65.19
CC1CC(CNC(=O)C2=CC=C(C[NH+](C)C)O2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814187	1	51	0.0	-68.85	410.59	3.66	-65.19
CC1CC(CNC(=O)C=CC[NH+]2CCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814211	0	52	0.0	-67.06	409.40	4.36	-62.70
CC1CC(CNC(=O)C2CC[NH+](C3CC3)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814238	0	55	0.0	-66.93	416.69	4.76	-62.17
CC1CC(CNC(=O)CC[NH+]2CCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814267	0	51	0.0	-65.12	394.67	3.63	-61.49
CC1CC(CNC(=O)C2C[NH+]3CCN2CC3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814314	0	51	0.0	-64.13	383.60	0.40	-63.73
CC1CC(CNC(=O)C23CC(C2)C[N@@H+]3C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814325	0	49	0.0	-65.20	378.41	3.08	-62.12
CC1CC(CNC(=O)C[N@@H+]2CC3CCC2C3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814341	0	52	0.0	-62.31	391.46	3.86	-58.45
CC1CC(CNC(=O)C[N@H+]2CC3CCC2C3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814341	1	52	0.0	-62.31	391.46	3.86	-58.45
CC(C)[NH+]1CCC(CC(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030814353	0	60	0.0	-65.50	440.94	5.26	-60.24
CC1CC(CNC(=O)C=C2C[NH+]3CCC2CC3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814404	0	53	0.0	-66.00	403.21	4.32	-61.68
CC1CC(CNC(=O)CN2CC3C=CC2C3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814416	0	50	0.0	-62.73	386.73	3.88	-58.85
CC1CC(CNC(=O)C[N@@H+]2CC3C=CC2C3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814416	1	50	0.0	-62.77	386.91	3.90	-58.87
CC1CC(CNC(=O)C[N@H+]2CC3C=CC2C3)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814416	1	50	0.0	-62.77	386.91	3.90	-58.87
CC(C[NH+](C)C)C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030814481	0	50	0.0	-60.22	384.77	3.34	-56.88
CC1CC(CNC(=O)CC2CCCC[N@@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814583	0	54	0.0	-58.07	398.84	4.02	-54.05
CC1CC(CNC(=O)CC2CCCC[N@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814583	1	54	0.0	-58.07	398.84	4.02	-54.05
CC1=C2C=C(C(=O)NCC3CC(C)N(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=N1	REAL300030814606	0	49	0.0	-65.85	399.43	6.02	-59.83
CC1=C2C=C(C(=O)NCC3CC(C)N(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030814606	1	49	0.0	-65.85	399.43	6.02	-59.83
CC(C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)N1CC(C)C1	REAL300030814607	0	51	0.0	-62.03	396.27	3.61	-58.42
CC(C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300030814607	1	51	0.0	-62.03	396.27	3.61	-58.42
CC1CCN1CC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030814611	0	48	0.0	-62.86	373.36	2.74	-60.12
CC1CC[N@@H+]1CC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030814611	1	48	0.0	-62.40	378.76	3.07	-59.33
CC1CC[N@H+]1CC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030814611	1	48	0.0	-62.40	378.76	3.07	-59.33
CC1CC(CNC(=O)CC(O)C[NH+](C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814616	0	51	0.0	-69.57	399.71	1.00	-68.57
CC1CC(CNC(=O)C2CN(C)CC(C)O2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814654	0	52	0.0	-72.94	405.68	3.13	-69.81
CC1CC(CNC(=O)C2C[N@H+](C)CC(C)O2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814654	1	52	0.0	-59.12	397.37	2.92	-56.20
CC1CC(CNC(=O)C2C[N@@H+](C)CC(C)O2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814654	1	52	0.0	-59.12	397.37	2.92	-56.20
CC1CC(CNC(=O)CC[NH+]2CCC(O)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814666	0	55	0.0	-68.11	421.71	1.00	-67.11
CCC[N@@H+]1CCCCC1C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030814669	0	57	0.0	-59.49	428.50	4.91	-54.58
CCC[N@H+]1CCCCC1C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030814669	1	57	0.0	-59.49	428.50	4.91	-54.58
CC[NH+]1CCN(CCC(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030814674	0	59	0.0	-67.17	445.87	2.55	-64.62
CCN1CC[NH+](CCC(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030814674	1	59	0.0	-67.17	445.87	2.55	-64.62
CC1CC(CNC(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814677	0	58	0.0	-58.28	421.82	5.42	-52.86
CC1CC(CNC(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814677	1	58	0.0	-58.28	421.82	5.42	-52.86
CC(C)C[NH+]1CCC(C(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030814725	0	60	0.0	-64.16	448.56	5.73	-58.43
CC1CC(CNC(=O)CN2CCC([NH+](C)C)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814751	0	59	0.0	-69.39	440.41	2.64	-66.75
CC1CC(CNC(=O)[C@H]2C[C@H]([NH+](C)C)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814773	0	51	0.0	-63.63	396.97	3.70	-59.93
CC(CC[NH+](C)C)C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030814781	0	53	0.0	-66.97	407.13	3.83	-63.14
CC1CC(CNC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814815	0	55	0.0	-63.03	418.55	1.16	-61.87
C#CCN1CCCCC1C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030814824	0	53	0.0	-63.01	414.56	4.68	-58.33
C#CC[N@H+]1CCCCC1C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030814824	1	53	0.0	-59.50	414.82	4.74	-54.76
C#CC[N@@H+]1CCCCC1C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030814824	1	53	0.0	-59.50	414.82	4.74	-54.76
CC1CC(CNC(=O)CN2CCN(C)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814830	0	53	0.0	-68.39	406.10	1.44	-66.95
CC1CC(CNC(=O)CN2CC[NH+](C)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814830	1	53	0.0	-68.39	406.10	1.44	-66.95
CC1CC(CNC(=O)CSC(N)=[NH2+])CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814871	0	42	0.0	-65.54	355.62	-1.18	-66.72
CC[N@@H+]1CCOCC1CC(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030814919	0	55	0.0	-66.17	414.89	2.45	-63.72
CC1CC(CNC(=O)C2(CC[NH+](C)C)CCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814938	0	60	0.0	-57.62	449.07	5.56	-52.06
CC1CC(CNC(=O)CC[NH+]2C(C)CCCC2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814940	0	60	0.0	-62.24	437.68	5.06	-57.18
CC1CC(CNC(=O)C2CCC([NH+](C)C)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814943	0	57	0.0	-67.80	419.67	4.65	-63.15
CC1CC(CNC(=O)C2(CC[NH+](C)C)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814944	0	54	0.0	-58.67	422.94	4.43	-54.24
CC1CC(CNC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814948	0	57	0.0	-57.47	418.18	4.55	-52.92
CC1CC(CNC(=O)CC2CC=CC[N@@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814949	0	52	0.0	-67.99	398.57	3.96	-64.03
CC1CC(CNC(=O)CC2CC=CC[N@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814949	1	52	0.0	-67.99	398.57	3.96	-64.03
C[C@@H](OCC[NH+](C)C)C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030814979	0	54	0.0	-63.98	422.73	3.69	-60.29
CC1CC(CNC(=O)C2CC3CCC(C2)[NH+]3C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030815013	0	55	0.0	-64.61	389.72	4.45	-60.16
CC(C(=O)NCC1CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300030815166	1	52	0.0	-63.82	406.06	3.93	-59.89
CCC1C[NH+](CC(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030815169	1	51	0.0	-66.26	398.61	3.72	-62.54
CC1CC(CNC(=O)C2C[NH+](C3CCOCC3)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030815171	0	56	0.0	-66.28	430.63	2.93	-63.35
CC1CC(CNC(=O)C2([NH+]3CCCC3)CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030815173	0	55	0.0	-61.58	408.26	4.63	-56.95
CC1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030815184	1	48	0.0	-63.49	372.17	2.86	-60.63
CC1CC(CNC(=O)CC[N@H+]2CCC(F)C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030815194	1	51	0.0	-68.46	401.48	3.74	-64.72
COC1C[N@@H+](C)C(C)(C(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030815203	1	55	0.0	-72.45	416.49	2.29	-70.16
CC1CC(CNC(=O)CC[NH+]2CCCCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030815216	0	57	0.0	-66.58	421.25	4.60	-61.98
CC1CC(CNC(=O)C[NH+]2CCCCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030815218	0	51	0.0	-63.33	389.18	3.84	-59.49
CC1CC(CNC(=O)C2CC[N@H+](C)C2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030815228	0	51	0.0	-63.55	388.03	3.34	-60.21
CC1CC(CNC(=O)C2CC[N@@H+](C)C2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030815228	1	51	0.0	-70.41	383.72	3.02	-67.39
CC1CC(CNC(=O)CCC2CCCC[N@@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030815231	0	57	0.0	-65.96	428.72	4.91	-61.05
CC1CC(CNC(=O)CCC2CCCC[N@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030815231	1	57	0.0	-64.91	428.48	4.90	-60.01
CC1CC(CNC(=O)C2CC[N@@H+]3CCOCC23)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030815267	0	53	0.0	-63.19	402.22	2.20	-60.99
CC1CC(CNC(=O)C2CC[N@H+]3CCOCC23)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030815267	1	53	0.0	-65.38	402.40	2.23	-63.15
CC1=[NH+]C=C2C=CC(C(=O)NCC3CC(C)N(C(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300030815275	0	49	0.0	-62.62	398.66	5.21	-57.41
CC1CC(CNC(=O)CC2COCCN2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030815295	0	52	0.0	-70.42	396.57	1.68	-68.74
CC1CC(CNC(=O)CC2COCC[N@@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030815295	1	52	0.0	-68.48	397.72	1.77	-66.71
CC1CC(CNC(=O)CC2COCC[N@H+]2C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030815295	1	52	0.0	-70.42	396.57	1.68	-68.74
CC1=C(C)[NH+]=C(CCC(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030815306	1	52	0.0	-61.26	417.50	3.18	-58.08
CC1CC(CNC(=O)C2CCN2CC2=CC=CC=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030815321	0	55	0.0	-64.30	430.90	5.83	-58.47
CC1CC(CNC(=O)C2CC[N@@H+]2CC2=CC=CC=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030815321	1	55	0.0	-66.20	439.07	5.96	-60.24
CC1CC(CNC(=O)C2CC[N@H+]2CC2=CC=CC=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030815321	1	55	0.0	-64.30	430.90	5.83	-58.47
CC(C)C[N@@H+]1CCCC(C(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030815325	0	60	0.0	-61.86	439.28	5.83	-56.03
CC(C)C[N@H+]1CCCC(C(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030815325	1	60	0.0	-63.60	448.67	5.66	-57.94
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CCC[N@@H+]1C	REAL300030815492	0	48	0.0	-62.73	368.81	2.52	-60.21
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CCC[N@H+]1C	REAL300030815492	1	48	0.0	-62.99	369.06	2.53	-60.46
CC1=[NH+]C=CN1CCCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030815686	1	52	0.0	-62.56	419.76	4.95	-57.61
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCCC[NH+]1CCOCC1	REAL300030815690	1	58	0.0	-68.66	447.27	3.58	-65.08
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300030815694	0	54	0.0	-69.65	424.57	5.08	-64.57
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC[NH+]1CCOCC1	REAL300030815695	1	52	0.0	-67.04	404.06	2.06	-64.98
CCC[NH+](CCC)CCCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030815714	0	62	0.0	-65.56	468.11	6.00	-59.56
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300030815742	1	46	0.0	-66.43	385.20	5.43	-61.00
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CCCC([NH+](C)C)C1	REAL300030815807	0	57	0.0	-65.06	427.76	4.68	-60.38
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1CC[N@H+](C)C1	REAL300030815812	0	51	0.0	-66.52	396.35	3.65	-62.87
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1CC[N@@H+](C)C1	REAL300030815812	1	51	0.0	-66.66	397.33	3.62	-63.04
CCC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300030815829	0	50	0.0	-61.52	378.96	3.00	-58.52
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300030815838	1	49	0.0	-61.15	406.72	3.72	-57.43
CC1CC2CCC(C(=O)N3CC(CNC(=O)C4=CC(=O)[N-]O4)CC3C)C[N@@H+]2C1	REAL300030815881	0	58	0.0	-58.14	428.29	5.31	-52.83
CC1CC2CCC(C(=O)N3CC(CNC(=O)C4=CC(=O)[N-]O4)CC3C)C[N@H+]2C1	REAL300030815881	1	58	0.0	-62.42	437.71	5.23	-57.19
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCCC[NH+](C)C	REAL300030815910	0	53	0.0	-66.88	414.36	4.13	-62.75
CCC[N@H+](C)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030815931	0	53	0.0	-66.22	412.13	4.02	-62.20
CCC[N@@H+](C)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030815931	1	53	0.0	-65.11	410.39	4.00	-61.11
CCC[N@H+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030815935	0	50	0.0	-64.24	389.46	3.41	-60.83
CCC[N@@H+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030815935	1	50	0.0	-63.19	388.02	3.44	-59.75
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C12CC[N@H+](C1)CCC2	REAL300030815958	0	52	0.0	-65.40	378.76	2.79	-62.61
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300030815958	1	52	0.0	-64.79	384.58	2.89	-61.90
CCCCCC[N@H+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030815997	0	59	0.0	-65.33	453.96	5.76	-59.57
CCCCCC[N@@H+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030815997	1	59	0.0	-64.24	452.52	5.77	-58.47
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[NH+]1CCC(C)CC1	REAL300030816043	0	54	0.0	-63.90	412.77	4.48	-59.42
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300030816068	1	49	0.0	-73.68	404.10	3.08	-70.60
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)COC1CC[NH+](C)CC1	REAL300030816075	0	55	0.0	-70.11	428.94	4.03	-66.08
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC2CCCC[N@@H+]2C1	REAL300030816133	0	55	0.0	-61.41	413.47	4.67	-56.74
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC2CCCC[N@H+]2C1	REAL300030816133	1	55	0.0	-61.90	413.61	4.62	-57.28
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1(C[NH+](C)C)CC1	REAL300030816145	0	51	0.0	-63.28	398.36	3.57	-59.71
CC1=[NH+]C=C2CCC(C(=O)N3CC(CNC(=O)C4=CC(=O)[N-]O4)CC3C)CN21	REAL300030816146	1	53	0.0	-58.49	413.50	4.45	-54.04
CC(C)[NH+]1CCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300030816156	0	57	0.0	-63.59	427.49	4.68	-58.91
CC[N@H+](C)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030816190	0	50	0.0	-65.03	390.10	3.27	-61.76
CC[N@@H+](C)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030816190	1	50	0.0	-64.94	389.08	3.21	-61.73
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1C[NH+]2CCC1CC2	REAL300030816235	0	52	0.0	-67.85	388.47	3.55	-64.30
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC[NH+](C)CC1	REAL300030816317	0	51	0.0	-66.29	393.18	3.50	-62.79
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC[NH+](CC2CC2)CC1	REAL300030816404	0	58	0.0	-66.79	443.83	5.76	-61.03
CC[NH+](CC)CC(F)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030816447	0	53	0.0	-65.03	405.56	3.64	-61.39
CC(C)C[N@@H+]1CCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030816481	0	57	0.0	-63.94	432.95	4.89	-59.05
CC(C)C[N@H+]1CCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030816481	1	57	0.0	-63.58	429.96	4.84	-58.74
CCC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](CC)CC	REAL300030816510	0	56	0.0	-58.03	412.02	4.18	-53.85
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@@H+]1CCCC1C	REAL300030816535	0	51	0.0	-61.22	395.40	3.77	-57.45
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@H+]1CCCC1C	REAL300030816535	1	51	0.0	-60.55	387.78	3.33	-57.22
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030816612	1	55	0.0	-58.64	434.41	5.15	-53.49
CC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1CCCCCC1	REAL300030816616	0	57	0.0	-60.08	412.35	4.24	-55.84
CC(C)[N@@H+]1CCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030816647	0	54	0.0	-59.16	403.94	3.90	-55.26
CC(C)[N@H+]1CCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030816647	1	54	0.0	-59.63	406.58	3.95	-55.68
CC(C)[N@@H+]1CCCC1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030816656	0	57	0.0	-58.11	420.05	4.58	-53.53
CC(C)[N@H+]1CCCC1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030816656	1	57	0.0	-61.70	429.73	4.74	-56.96
CC1CC[N@H+](CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030816702	0	51	0.0	-62.65	395.37	3.72	-58.93
CC1CC[N@@H+](CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030816702	1	51	0.0	-62.92	395.54	3.70	-59.22
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1(F)CC[N@@H+](C(C)(C)C)C1	REAL300030816703	0	57	0.0	-60.69	428.69	4.21	-56.48
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1(F)CC[N@H+](C(C)(C)C)C1	REAL300030816703	1	57	0.0	-60.97	428.65	4.27	-56.70
CC1=[NH+]C=C2CC(C(=O)N3CC(CNC(=O)C4=CC(=O)[N-]O4)CC3C)CCN21	REAL300030816704	1	53	0.0	-59.68	414.82	4.54	-55.14
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300030816707	0	54	0.0	-62.78	415.88	4.31	-58.47
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@H+]1CCC(C)(C)C1	REAL300030816707	1	54	0.0	-62.47	414.02	4.22	-58.25
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@H+](C)CC(C)(C)C	REAL300030816708	0	56	0.0	-63.40	420.69	4.60	-58.80
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@@H+](C)CC(C)(C)C	REAL300030816708	1	56	0.0	-63.77	418.09	4.41	-59.36
CC[C@@H](C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300030816717	0	50	0.0	-62.66	379.95	3.05	-59.61
CC(COCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1CCCC1	REAL300030816724	0	58	0.0	-63.23	447.58	4.69	-58.54
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCN(C)C1=CC=[NH+]C=C1	REAL300030816869	0	53	0.0	-61.16	423.27	3.69	-57.47
CC1=[NH+]C=CN1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030816977	1	46	0.0	-61.53	377.20	3.61	-57.92
CC(C[NH+]1CCOCC1)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030816979	1	55	0.0	-65.29	416.36	2.52	-62.77
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCC[NH+]1CCCCC1	REAL300030816997	0	57	0.0	-64.95	434.49	5.24	-59.71
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300030817012	1	50	0.0	-72.42	404.01	3.13	-69.29
CC1=C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)C=CC2=C[NH+]=CN21	REAL300030817014	0	49	0.0	-65.32	403.64	5.63	-59.69
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030817060	1	52	0.0	-59.79	414.63	4.74	-55.05
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300030817107	0	55	0.0	-57.80	410.81	4.58	-53.22
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CCCC2CCC[N@H+]21	REAL300030817107	1	55	0.0	-63.72	407.89	4.42	-59.30
CC[N@@H+]1CCOC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030817138	1	52	0.0	-64.04	392.13	2.67	-61.37
CC[N@H+]1CCOC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030817138	1	52	0.0	-66.13	394.15	2.71	-63.42
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300030817200	0	46	0.0	-65.68	385.11	5.42	-60.26
CC1=C[NH+]=CN1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030817205	1	46	0.0	-63.62	377.50	4.33	-59.29
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300030817210	0	54	0.0	-73.35	428.93	3.18	-70.17
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300030817223	0	54	0.0	-62.68	431.71	3.78	-58.90
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300030817230	0	51	0.0	-65.92	385.43	3.01	-62.91
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300030817230	1	51	0.0	-65.61	391.77	3.21	-62.40
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030817232	1	55	0.0	-58.18	434.75	5.25	-52.93
CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)CC[N@@H+]1C	REAL300030817235	0	54	0.0	-64.79	402.21	3.48	-61.31
CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)CC[N@H+]1C	REAL300030817235	1	54	0.0	-63.19	406.73	4.07	-59.12
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[NH+]1C(C)CCC1C	REAL300030817251	0	54	0.0	-58.96	405.75	3.90	-55.06
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCC[NH+]1CCCC1	REAL300030817258	0	54	0.0	-64.88	418.82	4.53	-60.35
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300030817259	0	54	0.0	-76.08	419.22	4.88	-71.20
C#CC[NH+]1CCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300030817265	0	53	0.0	-67.08	417.85	4.66	-62.42
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC[NH+]1CCCCC1	REAL300030817266	0	54	0.0	-64.42	412.99	4.42	-60.00
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CN1C=[NH+]C2=C1CCCC2	REAL300030817284	1	53	0.0	-63.12	420.58	6.03	-57.09
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1(C[NH+](C)C)CCCCC1	REAL300030817317	0	60	0.0	-64.39	429.62	4.90	-59.49
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC[N@H+](C)C1CCCCC1	REAL300030817321	0	60	0.0	-64.68	447.21	5.64	-59.04
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC[N@@H+](C)C1CCCCC1	REAL300030817321	1	60	0.0	-65.77	448.95	5.64	-60.13
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1([NH+](C)C)CCCC1	REAL300030817324	0	57	0.0	-65.10	413.25	4.53	-60.57
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@H+](C)C1CCC1	REAL300030817521	0	51	0.0	-62.45	396.35	3.98	-58.47
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@@H+](C)C1CCC1	REAL300030817521	1	51	0.0	-62.32	396.77	4.00	-58.32
CC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1C(C)CCC1C	REAL300030817546	0	57	0.0	-56.75	418.70	4.33	-52.42
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCCC[NH+]1CCCC1	REAL300030817565	0	57	0.0	-65.52	440.33	5.31	-60.21
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300030817568	1	54	0.0	-66.41	425.44	5.62	-60.79
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300030817568	1	54	0.0	-67.54	426.89	5.60	-61.94
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC[NH+](C)CC1	REAL300030817583	0	51	0.0	-66.29	393.18	3.50	-62.79
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)[C@H]1CCC[N@@H+]1C	REAL300030817635	0	48	0.0	-61.00	372.52	2.95	-58.05
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)[C@H]1CCC[N@H+]1C	REAL300030817635	1	48	0.0	-62.89	369.04	2.53	-60.36
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCC1CCC[N@@H+]1C	REAL300030817666	0	54	0.0	-64.68	411.95	4.10	-60.58
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCC1CCC[N@H+]1C	REAL300030817666	1	54	0.0	-64.91	416.49	4.48	-60.43
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300030817682	0	55	0.0	-59.39	410.14	4.50	-54.89
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CCC2CCCC[N@H+]21	REAL300030817682	1	55	0.0	-58.76	416.61	4.85	-53.91
CCC[N@@H+]1CCCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030817759	0	57	0.0	-63.33	423.55	4.91	-58.42
CCC[N@H+]1CCCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030817759	1	57	0.0	-64.48	434.77	4.95	-59.53
CC(C)[N@@H+]1CCOC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030817775	1	55	0.0	-67.11	417.73	3.45	-63.66
CC(C)[N@H+]1CCOC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030817775	1	55	0.0	-62.90	409.13	3.11	-59.79
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[NH+]1CCC(CO)CC1	REAL300030817849	0	55	0.0	-65.55	423.59	1.17	-64.38
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C=C1CC2CCC(C1)[NH+]2C	REAL300030817886	0	56	0.0	-65.83	422.82	4.95	-60.88
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC[N@H+](C)C1C	REAL300030817904	0	51	0.0	-64.47	391.87	3.54	-60.93
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC[N@@H+](C)C1C	REAL300030817904	1	51	0.0	-64.45	391.06	3.63	-60.82
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCC1CCCC[N@@H+]1C	REAL300030817908	0	57	0.0	-65.86	424.28	4.75	-61.11
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCC1CCCC[N@H+]1C	REAL300030817908	1	57	0.0	-65.08	424.37	4.81	-60.27
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC2=C(CCC2)[NH+]=C1N	REAL300030817941	1	51	0.0	-55.91	403.11	2.78	-53.13
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300030818007	0	54	0.0	-60.28	410.82	3.69	-56.59
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC[N@H+]1C(C)(C)C	REAL300030818007	1	54	0.0	-60.25	387.62	3.04	-57.21
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300030818025	0	54	0.0	-65.69	421.17	2.39	-63.30
C[C@@H](C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300030818030	0	47	0.0	-61.56	364.72	2.34	-59.22
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=NC(C[NH+](C)C)=C1	REAL300030818050	1	53	0.0	-66.29	418.93	3.27	-63.02
C=CCC(C)(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300030818056	0	54	0.0	-58.07	394.30	3.48	-54.59
CC[NH+](CC)CCSCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030818089	0	57	0.0	-67.17	447.14	5.03	-62.14
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=C(N)C2=CC=CC=C2[NH+]=C1	REAL300030818090	1	50	0.0	-56.52	400.93	2.15	-54.37
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC[NH+]1CCCC1	REAL300030818095	0	51	0.0	-64.75	395.73	3.61	-61.14
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@H+](C)CCO	REAL300030818104	1	48	0.0	-63.50	376.88	-0.55	-64.05
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@@H+](C)CCO	REAL300030818104	1	48	0.0	-64.19	378.10	-0.57	-64.76
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1C[N@@H+]2CCN1CCC2	REAL300030818142	0	54	0.0	-69.02	392.83	1.49	-67.53
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1C[N@H+]2CCN1CCC2	REAL300030818142	1	54	0.0	-69.37	393.74	1.49	-67.88
CC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1CCSCC1	REAL300030818169	1	52	0.0	-63.65	405.21	3.90	-59.75
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1=CC[N@H+](C)CC1	REAL300030818213	0	52	0.0	-66.40	409.40	4.36	-62.04
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1=CC[N@@H+](C)CC1	REAL300030818213	1	52	0.0	-65.36	409.38	4.35	-61.01
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C(O)CC[S+](C)C	REAL300030818228	0	50	0.0	-63.61	409.62	1.37	-62.24
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CN(C)CC[N@H+](C)C1	REAL300030818267	0	56	0.0	-62.34	418.47	1.86	-60.48
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CN(C)CC[N@@H+](C)C1	REAL300030818267	1	56	0.0	-64.83	421.32	1.93	-62.90
CC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C)[N@@H+]1CCCC(O)C1	REAL300030818268	0	55	0.0	-61.75	417.09	1.02	-60.73
CC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C)[N@H+]1CCCC(O)C1	REAL300030818268	1	55	0.0	-60.31	416.84	1.09	-59.22
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1(O)CCC[N@H+](C)C1	REAL300030818307	0	55	0.0	-64.27	407.99	2.24	-62.03
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1(O)CCC[N@@H+](C)C1	REAL300030818307	1	55	0.0	-62.39	411.27	2.26	-60.13
CC1C[NH+](CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030818313	1	48	0.0	-63.94	380.10	3.21	-60.73
CC[N@@H+]1CCCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030818319	0	54	0.0	-63.02	411.21	4.18	-58.84
CC[N@H+]1CCCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030818319	1	54	0.0	-58.59	400.37	4.30	-54.29
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1=CC=C[NH+]=C1N	REAL300030818330	0	47	0.0	-62.43	383.02	1.84	-60.59
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CCC[N@@H+]1C1CC1	REAL300030818343	0	52	0.0	-61.30	401.48	3.94	-57.36
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CCC[N@H+]1C1CC1	REAL300030818343	1	52	0.0	-60.72	399.34	3.84	-56.88
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C=CC[NH+]1CCCC1	REAL300030818393	0	52	0.0	-66.78	410.55	4.36	-62.42
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300030818418	0	55	0.0	-63.93	423.97	4.96	-58.97
CC[N@H+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030818463	0	47	0.0	-63.88	368.29	2.69	-61.19
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CN1CC2C=CC1C2	REAL300030818528	0	50	0.0	-61.66	389.68	3.99	-57.67
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@@H+]1CC2C=CC1C2	REAL300030818528	1	50	0.0	-60.92	389.42	3.89	-57.03
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@H+]1CC2C=CC1C2	REAL300030818528	1	50	0.0	-60.92	389.42	3.89	-57.03
CC1=CC=C(NCCC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)N=C1	REAL300030818551	0	53	0.0	-60.47	427.86	3.40	-57.07
CC1=CC=C(NCCC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)[NH+]=C1	REAL300030818551	1	53	0.0	-60.47	427.86	3.40	-57.07
CC(OCC[NH+](C)C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030818687	0	54	0.0	-64.41	421.16	3.55	-60.86
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCOCC[NH+](C)C	REAL300030818699	0	54	0.0	-64.78	425.82	2.80	-61.98
COCCN(C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030818701	0	51	0.0	-63.99	400.35	1.82	-62.17
COCC[N@H+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030818701	1	51	0.0	-63.47	399.13	1.85	-61.62
COCC[N@@H+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030818701	1	51	0.0	-63.47	399.13	1.85	-61.62
CC(CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300030818708	0	53	0.0	-65.91	402.65	3.73	-62.18
CC[N@H+](CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C)C1CC1	REAL300030818743	0	51	0.0	-60.72	395.05	3.99	-56.73
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1C[N@@H+]2CCN1C(C)C2	REAL300030818754	0	54	0.0	-67.52	398.73	0.76	-66.76
CC1=NC(N)=CC=C1C=CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030818796	0	51	0.0	-62.05	413.00	2.66	-59.39
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030818796	1	51	0.0	-62.05	413.00	2.66	-59.39
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@@H+]1CC2CCC1C2	REAL300030818804	0	52	0.0	-61.23	394.56	3.95	-57.28
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@H+]1CC2CCC1C2	REAL300030818804	1	52	0.0	-61.23	394.56	3.95	-57.28
CC(C)[NH+]1CCC(CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300030818818	0	60	0.0	-63.14	444.16	5.42	-57.72
CC(C[NH+](C)C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030818832	0	50	0.0	-60.87	384.02	3.08	-57.79
C[C@H](C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300030818872	0	47	0.0	-61.68	363.59	2.28	-59.40
CC[N@@H+]1CCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030818884	0	48	0.0	-62.70	381.57	3.00	-59.70
CC[N@H+]1CCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030818884	1	48	0.0	-61.31	373.09	2.64	-58.67
CC(C)[N@@H+]1CCCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030818897	0	57	0.0	-59.61	419.10	4.76	-54.85
CC(C)[N@H+]1CCCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030818897	1	57	0.0	-57.75	417.51	4.81	-52.94
CCC(C)(C)[NH2+]C(C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030818915	0	56	0.0	-61.19	412.46	2.67	-58.52
C#CC[N@H+]1CCCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030818965	1	53	0.0	-61.08	404.23	4.29	-56.79
C#CC[N@@H+]1CCCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030818965	1	53	0.0	-62.11	408.08	4.48	-57.63
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030818968	1	50	0.0	-57.01	399.02	2.64	-54.37
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=C[NH+]=CC=C1N	REAL300030818969	0	44	0.0	-61.38	357.65	-0.05	-61.43
CCCC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300030818981	0	53	0.0	-62.38	400.48	3.77	-58.61
CC(CC[NH+](C)C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030819009	0	53	0.0	-65.60	407.54	3.71	-61.89
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300030819067	0	58	0.0	-63.38	420.14	4.58	-58.80
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300030819067	1	58	0.0	-58.61	420.43	5.21	-53.40
COCCCC[N@H+](C)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030819144	0	60	0.0	-69.67	467.30	3.88	-65.79
COCCCC[N@@H+](C)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030819144	1	60	0.0	-68.52	465.56	3.86	-64.66
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300030819154	0	54	0.0	-62.23	409.50	3.58	-58.65
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC(C)(C)C[N@H+]1C	REAL300030819154	1	54	0.0	-62.21	410.15	3.69	-58.52
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCCCC[NH+](C)C	REAL300030819160	0	56	0.0	-67.21	436.88	4.99	-62.22
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC[NH+]1CCC(O)CC1	REAL300030819165	0	55	0.0	-68.23	423.63	1.04	-67.19
CCC[N@@H+]1CCCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030819170	0	57	0.0	-61.30	421.85	4.72	-56.58
CCC[N@H+]1CCCCC1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030819170	1	57	0.0	-59.83	430.07	4.97	-54.86
CC[NH+]1CCN(CCC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300030819179	0	59	0.0	-65.65	448.86	2.70	-62.95
CCN1CC[NH+](CCC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300030819179	1	59	0.0	-65.24	447.40	2.70	-62.54
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CN1CC[NH+](C)CC1	REAL300030819183	1	53	0.0	-65.75	408.18	1.53	-64.22
CC(C)C[NH+]1CCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300030819307	0	60	0.0	-65.17	449.71	5.61	-59.56
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1C[N@H+](C)CC(C)O1	REAL300030819310	1	52	0.0	-70.13	403.30	2.90	-67.23
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1C[N@@H+](C)CC(C)O1	REAL300030819310	1	52	0.0	-69.21	397.92	3.00	-66.21
CCC1CCC[N@H+](CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030819346	0	57	0.0	-63.22	423.53	4.70	-58.52
CCC1CCC[N@@H+](CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030819346	1	57	0.0	-63.60	431.23	5.11	-58.49
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C(C[NH+](C)C)N1	REAL300030819356	0	52	0.0	-62.86	412.11	3.37	-59.49
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[NH+]1CC2CC2C1	REAL300030819378	0	49	0.0	-62.63	383.33	3.86	-58.77
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1([NH+]2CCCC2)CC1	REAL300030819396	0	55	0.0	-60.69	415.15	4.81	-55.88
CC([NH2+]C1(CO)CCCC1)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030819413	0	58	0.0	-62.86	429.23	-0.09	-62.95
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CCCC[N@@H+]1C	REAL300030819442	0	51	0.0	-62.69	382.61	3.31	-59.38
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CCCC[N@H+]1C	REAL300030819442	1	51	0.0	-60.76	390.96	3.59	-57.17
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300030819448	1	55	0.0	-65.51	440.71	5.97	-59.54
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC[N@H+]1CC1=CC=CC=C1	REAL300030819448	1	55	0.0	-65.35	440.49	5.94	-59.41
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030819455	0	60	0.0	-63.12	441.00	5.59	-57.53
CC(C)C[N@H+]1CCCC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)C1	REAL300030819455	1	60	0.0	-60.48	441.40	5.73	-54.75
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CN1CCC([NH+](C)C)CC1	REAL300030819510	0	59	0.0	-67.62	443.61	2.70	-64.92
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C=C1CC[N@H+](C)C1	REAL300030819575	0	49	0.0	-68.08	385.95	3.58	-64.50
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C=C1CC[N@@H+](C)C1	REAL300030819575	1	49	0.0	-68.59	388.15	3.54	-65.05
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CNC1=CC=[NH+]C=C1	REAL300030819582	0	47	0.0	-63.00	385.74	1.32	-61.68
CC[NH+]1CCN(CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300030819644	0	56	0.0	-65.26	427.04	2.18	-63.08
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C=C1C[NH+]2CCC1CC2	REAL300030819645	0	53	0.0	-64.62	405.73	4.40	-60.22
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300030819704	0	55	0.0	-62.61	419.78	1.24	-61.37
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O	REAL300030819704	1	55	0.0	-60.63	418.88	1.32	-59.31
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1C[NH+](C2CCOCC2)C1	REAL300030819713	0	56	0.0	-66.80	431.40	2.99	-63.81
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)[C@@H]1CCC[N@@H+]1C	REAL300030819728	0	48	0.0	-62.53	368.52	2.54	-59.99
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)[C@@H]1CCC[N@H+]1C	REAL300030819728	1	48	0.0	-60.56	370.64	2.72	-57.84
CCN1CCOCC1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030819766	0	55	0.0	-65.24	414.31	2.37	-62.87
CC[N@@H+]1CCOCC1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030819766	1	55	0.0	-66.58	417.82	2.51	-64.07
CC[N@H+]1CCOCC1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030819766	1	55	0.0	-66.58	417.82	2.51	-64.07
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1C[NH+](C2CCCCC2)C1	REAL300030819792	0	58	0.0	-65.79	441.41	5.35	-60.44
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C2NC(N)=[NH+]C2=C1	REAL300030819868	1	48	0.0	-58.32	390.68	2.88	-55.44
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300030819913	0	51	0.0	-64.90	398.50	3.70	-61.20
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC[NH+]1C(C)CCCC1C	REAL300030819925	0	60	0.0	-60.99	442.58	5.12	-55.87
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CCC([NH+](C)C)CC1	REAL300030819928	0	57	0.0	-66.78	424.69	4.57	-62.21
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300030819932	0	57	0.0	-63.26	418.72	4.54	-58.72
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1CC=CC[N@@H+]1C	REAL300030819933	0	52	0.0	-66.10	401.08	4.10	-62.00
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1CC=CC[N@H+]1C	REAL300030819933	1	52	0.0	-66.10	401.08	4.10	-62.00
CC1=CC(C=CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)=CN=C1N	REAL300030819995	0	51	0.0	-62.68	413.40	2.92	-59.76
CC1=CC(C=CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)=C[NH+]=C1N	REAL300030819995	1	51	0.0	-62.68	413.40	2.92	-59.76
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)COCC[NH+](C)C	REAL300030820010	0	51	0.0	-65.39	404.87	3.00	-62.39
CCCCC[N@H+](C)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030820017	0	59	0.0	-65.96	453.39	5.57	-60.39
CCCCC[N@@H+](C)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030820017	1	59	0.0	-65.96	453.39	5.57	-60.39
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300030820029	0	55	0.0	-65.96	424.48	3.78	-62.18
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CN1C=CSC1=[NH2+]	REAL300030820055	0	44	0.0	-60.59	375.86	2.22	-58.37
C[C@@H](OCC[NH+](C)C)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030820134	0	54	0.0	-64.66	421.64	3.55	-61.11
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC[NH+]1CCCCCC1	REAL300030820192	0	57	0.0	-65.81	423.01	4.62	-61.19
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[NH+]1CCCCC1	REAL300030820196	0	51	0.0	-63.24	392.26	3.90	-59.34
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CCC[N@H+](C)C1	REAL300030820198	0	51	0.0	-64.85	393.65	3.49	-61.36
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CCC[N@@H+](C)C1	REAL300030820198	1	51	0.0	-59.97	384.09	3.55	-56.42
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[NH+]1CCC(CO)CC1	REAL300030820200	0	55	0.0	-65.55	423.59	1.17	-64.38
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[NH+]1CCCCCC1	REAL300030820206	0	54	0.0	-62.47	399.76	4.08	-58.39
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N+]1=CN(C)C=C1	REAL300030820213	0	46	0.0	-62.29	380.03	5.55	-56.74
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300030820231	1	51	0.0	-62.19	410.33	3.82	-58.37
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C(C[NH+](C)C)N=C1	REAL300030820239	0	53	0.0	-66.11	420.33	3.18	-62.93
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[NH+]1CCC(O)CC1	REAL300030820253	0	52	0.0	-67.50	403.00	0.51	-66.99
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@@H+](C)C1CC1	REAL300030820260	1	48	0.0	-61.14	379.29	3.46	-57.68
CC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C)N1CC[NH+](C)CC1	REAL300030820262	1	56	0.0	-65.51	417.86	1.64	-63.87
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC[N@H+]1CCC(F)C1	REAL300030820267	1	51	0.0	-67.98	403.10	3.82	-64.16
CC(CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C)C[NH+](C)C	REAL300030820302	0	53	0.0	-66.09	406.18	3.99	-62.10
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC[N@@H+]2CCOCC12	REAL300030820322	0	53	0.0	-62.63	402.89	2.24	-60.39
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC[N@H+]2CCOCC12	REAL300030820322	1	53	0.0	-66.37	405.42	2.18	-64.19
CC1=[NH+]C=C2C=CC(C(=O)N3CC(CNC(=O)C4=CC(=O)[N-]O4)CC3C)=CN21	REAL300030820330	0	49	0.0	-61.56	406.49	5.19	-56.37
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1COCCN1C	REAL300030820351	0	52	0.0	-68.35	401.25	1.92	-66.43
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1COCC[N@@H+]1C	REAL300030820351	1	52	0.0	-62.21	393.32	1.73	-60.48
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1COCC[N@H+]1C	REAL300030820351	1	52	0.0	-68.35	401.25	1.92	-66.43
CC[NH+]1CCN(CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)CC1	REAL300030820362	0	56	0.0	-65.26	427.04	2.18	-63.08
CC1=CC(N)=[NH+]C=C1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030820416	1	47	0.0	-60.54	378.53	1.30	-59.24
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCC1=CC=C(N)[NH+]=C1	REAL300030820419	0	50	0.0	-62.99	409.55	2.54	-60.45
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@H+]1CCC(C)(O)C1	REAL300030820473	1	52	0.0	-63.52	406.21	0.45	-63.07
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=NN1CC[NH+](C)C	REAL300030820483	0	54	0.0	-65.99	423.19	3.27	-62.72
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1C[NH+](C)C1	REAL300030820514	0	48	0.0	-65.81	381.62	2.87	-62.94
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC[N@@H+]1C1CCCC1	REAL300030820520	0	55	0.0	-61.69	415.02	4.45	-57.24
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC[N@H+]1C1CCCC1	REAL300030820520	1	55	0.0	-61.23	413.88	4.46	-56.77
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[NH+](C)C	REAL300030820530	0	44	0.0	-64.31	349.01	1.97	-62.34
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC[N@H+](C)CCO	REAL300030820571	0	51	0.0	-64.72	399.24	0.04	-64.68
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC[N@@H+](C)CCO	REAL300030820571	1	51	0.0	-65.39	400.97	0.02	-65.37
C[C@@H](C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300030820572	0	47	0.0	-61.56	364.72	2.34	-59.22
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1CCCC[N@@H+]1C	REAL300030820592	0	54	0.0	-59.09	401.91	4.11	-54.98
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1CCCC[N@H+]1C	REAL300030820592	1	54	0.0	-65.03	409.25	4.27	-60.76
CC1=C2C=C(C(=O)N3CC(CNC(=O)C4=CC(=O)[N-]O4)CC3C)C=CN2C=[NH+]1	REAL300030820618	1	49	0.0	-64.13	407.12	6.00	-58.13
CC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1CC(C)C1	REAL300030820619	0	51	0.0	-61.43	395.06	3.52	-57.91
CC1CC[N@H+]1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030820624	1	48	0.0	-62.48	381.64	3.13	-59.35
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C=CC[NH+](C)C	REAL300030820639	0	48	0.0	-67.48	385.27	3.24	-64.24
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[NH+]1CC(C)(C)C1	REAL300030820653	1	51	0.0	-63.47	400.62	3.66	-59.81
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCCC[NH+]1CCCCC1	REAL300030820667	0	60	0.0	-65.72	455.54	5.98	-59.74
CC1=C(C)[NH+]=C(CCC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)N1	REAL300030820680	1	52	0.0	-59.25	420.24	3.36	-55.89
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1(C2CC[NH+](C)CC2)CC1	REAL300030820690	0	58	0.0	-65.19	435.47	5.13	-60.06
CC1=C2C=C(C(=O)N3CC(CNC(=O)C4=CC(=O)[N-]O4)CC3C)C=CN2C=[NH+]1	REAL300030820699	1	49	0.0	-64.13	407.12	6.00	-58.13
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CSCC[NH+](C)C	REAL300030820709	0	51	0.0	-69.18	415.90	3.94	-65.24
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC2=C(CCCC2)[NH+]=C1N	REAL300030820731	1	54	0.0	-56.02	419.63	3.30	-52.72
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@H+]1CCCC1CO	REAL300030820739	1	52	0.0	-62.36	404.40	0.50	-61.86
CC[NH+](CC)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030820742	0	50	0.0	-61.92	380.60	3.03	-58.89
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N@@H+](C)C1CCSC1	REAL300030820755	1	52	0.0	-68.50	408.48	4.22	-64.28
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[NH+]1CCC1	REAL300030820757	1	45	0.0	-63.86	360.61	2.53	-61.33
CC[NH+](CC)CCC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030820802	0	53	0.0	-64.09	402.60	3.64	-60.45
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[NH+]1CCC(C(N)=O)CC1	REAL300030820824	0	55	0.0	-75.46	427.83	0.54	-74.92
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC(C[NH+](C)C)=CN1	REAL300030820870	0	52	0.0	-66.60	409.72	3.39	-63.21
CC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1CCC(O)CC1	REAL300030820890	0	55	0.0	-63.93	411.65	0.56	-63.37
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC2COCC[N@@H+]2C1	REAL300030820896	0	53	0.0	-64.30	407.11	2.28	-62.02
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC2COCC[N@H+]2C1	REAL300030820896	1	53	0.0	-64.29	406.80	2.25	-62.04
CC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+]1CCC1	REAL300030820912	0	48	0.0	-61.44	373.44	2.78	-58.66
CCC(CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C)C[NH+](C)C	REAL300030820922	0	56	0.0	-67.38	426.06	4.71	-62.67
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C=CC1=CC=C(N)[NH+]=C1	REAL300030820929	0	48	0.0	-63.28	395.40	2.21	-61.07
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)[C@H]1CCCC[N@@H+]1C	REAL300030820994	0	51	0.0	-60.73	390.64	3.60	-57.13
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)[C@H]1CCCC[N@H+]1C	REAL300030820994	1	51	0.0	-62.60	382.37	3.34	-59.26
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1C[N@@H+]2CCN1CC2C	REAL300030821008	0	54	0.0	-65.60	396.28	0.53	-65.07
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1C[N@H+]2CCN1CC2C	REAL300030821008	1	54	0.0	-66.20	397.51	0.65	-65.55
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC(O)C[NH+](C)C	REAL300030821033	0	51	0.0	-68.66	401.70	0.94	-67.72
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC2CCC(C1)[NH+]2C	REAL300030821036	0	55	0.0	-63.03	408.84	4.13	-58.90
C=CCC(C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C)[NH+](C)C	REAL300030821082	0	51	0.0	-62.24	392.13	3.53	-58.71
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC2CCCC[N@@H+]2C1	REAL300030821092	0	55	0.0	-61.41	413.47	4.67	-56.74
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1CC2CCCC[N@H+]2C1	REAL300030821092	1	55	0.0	-61.90	413.61	4.62	-57.28
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1(O)CC[NH+](C)CC1	REAL300030821108	0	55	0.0	-67.10	420.48	2.31	-64.79
COCC[N@@H+]1CCCC1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030821123	0	58	0.0	-57.11	441.15	3.88	-53.23
COCC[N@H+]1CCCC1CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)CC1C	REAL300030821123	1	58	0.0	-62.82	448.70	3.52	-59.30
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1CC2CCC(C1)[NH+]2C	REAL300030821132	0	58	0.0	-65.62	415.87	4.48	-61.14
CC1CC(CNC(=O)C2=CC=NN2CC[NH+](C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030821170	0	54	0.0	-67.82	426.24	3.43	-64.39
CC1CC(CNC(=O)C2(C3CC[NH+](C)CC3)CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030821217	0	58	0.0	-66.85	435.56	5.58	-61.27
CC1=C2C=C(C(=O)NCC3CC(C)N(C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030821229	1	49	0.0	-65.85	399.43	6.02	-59.83
CC1CC(CNC(=O)CSCC[NH+](C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030821240	0	51	0.0	-70.86	413.99	3.88	-66.98
CC1CC(CNC(=O)C2CC3COCC[N@@H+]3C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030821252	0	53	0.0	-63.40	405.65	2.30	-61.10
CC1CC(CNC(=O)C2CC3COCC[N@H+]3C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030821252	1	53	0.0	-65.92	405.91	2.26	-63.66
C[N@@H+]1CCCC1C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030821412	0	44	0.0	-63.32	339.25	1.11	-62.21
C[N@H+]1CCCC1C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030821412	1	44	0.0	-57.49	344.54	0.19	-57.30
C[N@@H+]1CCOC(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030821436	1	45	0.0	-69.10	354.47	-0.09	-69.19
C[N@H+]1CCOC(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030821436	1	45	0.0	-54.24	354.82	-0.11	-54.35
CC(C)C1=[NH+]C=CN1CCC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030821614	1	51	0.0	-60.97	404.42	3.75	-57.22
CC(C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)[NH+]1CCCCCC1	REAL300030821618	0	53	0.0	-58.20	392.55	2.56	-55.64
CC(C)[N@@H+]1CCCC1C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030821649	0	50	0.0	-65.79	376.85	2.46	-63.33
CC(C)[N@H+]1CCCC1C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030821649	1	50	0.0	-58.33	383.14	1.73	-56.60
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1CC2CCCC[N@@H+]2C1	REAL300030821671	0	51	0.0	-56.95	392.09	2.38	-54.57
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1CC2CCCC[N@H+]2C1	REAL300030821671	1	51	0.0	-63.27	385.73	3.28	-59.99
CC(C)C1=[NH+]C=CN1CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030821699	1	48	0.0	-57.74	390.19	2.36	-55.38
CC1=[NH+]C=CN1CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030821743	1	42	0.0	-58.39	353.97	1.24	-57.15
CC(C[NH+]1CCOCC1)C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030821745	0	51	0.0	-68.53	390.32	1.32	-67.21
O=C(CCC[NH+]1CCCCC1)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030821763	0	53	0.0	-70.51	404.85	3.86	-66.65
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1C[NH+]2CCC1CC2	REAL300030821804	0	48	0.0	-68.08	359.89	2.34	-65.74
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1CCCC2CCC[N@@H+]21	REAL300030821857	0	51	0.0	-61.63	374.62	3.05	-58.58
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1CCCC2CCC[N@H+]21	REAL300030821857	1	51	0.0	-62.18	372.97	2.80	-59.38
C[NH+](C)CCN1C=C(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C=N1	REAL300030821859	0	50	0.0	-73.10	408.85	1.13	-71.97
C[NH+](C)CCN1C=CC(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)=N1	REAL300030821872	0	50	0.0	-89.24	403.98	2.19	-87.05
C[C@@H]1[C@H](C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)CC[N@@H+]1C	REAL300030821879	0	47	0.0	-70.44	351.63	1.69	-68.75
C[C@@H]1[C@H](C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)CC[N@H+]1C	REAL300030821879	1	47	0.0	-65.52	366.59	1.01	-64.51
CCC1=[NH+]C=CN1C(C)CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030821881	1	51	0.0	-61.36	404.96	3.80	-57.56
CC[C@@H]1[C@@H](C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)CC[N@@H+]1C	REAL300030821884	0	50	0.0	-68.81	375.43	2.30	-66.51
CC[C@@H]1[C@@H](C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)CC[N@H+]1C	REAL300030821884	1	50	0.0	-59.82	385.13	1.86	-57.96
CC[N@@H+]1CCOC(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030821906	1	48	0.0	-55.46	372.23	0.56	-54.90
CC[N@H+]1CCOC(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030821906	1	48	0.0	-64.29	379.67	0.74	-63.55
CC[NH+](CC)CC(F)C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030821954	0	49	0.0	-59.90	381.88	1.24	-58.66
CC1CCC(C)[NH+]1CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030822039	0	50	0.0	-64.63	376.22	2.56	-62.07
O=C(CCC[NH+]1CCCC1)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030822046	0	50	0.0	-64.59	394.37	2.16	-62.43
C[NH+](C)CC1=CC=CC(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)=C1	REAL300030822047	0	50	0.0	-70.99	396.68	4.03	-66.96
C#CC[NH+]1CCC(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)CC1	REAL300030822052	0	49	0.0	-67.08	393.80	2.44	-64.64
O=C(CC[NH+]1CCCCC1)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030822053	0	50	0.0	-69.82	383.35	3.06	-66.76
CC(C)C[N@@H+]1CCC(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030822087	0	53	0.0	-61.37	409.37	2.61	-58.76
CC(C)C[N@H+]1CCC(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030822087	1	53	0.0	-67.83	399.81	3.53	-64.30
CC(C)[N@@H+]1CCCC1CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030822096	0	53	0.0	-55.09	395.67	1.77	-53.32
CC(C)[N@H+]1CCCC1CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030822096	1	53	0.0	-61.22	404.11	2.27	-58.95
C[N@H+](CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1CCC1	REAL300030822165	0	47	0.0	-59.00	370.64	1.61	-57.39
C[N@@H+](CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1CCC1	REAL300030822165	1	47	0.0	-59.37	370.81	1.63	-57.74
CC(C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)[NH+]1C(C)CCC1C	REAL300030822232	0	53	0.0	-62.22	390.06	3.05	-59.17
CN(CCC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1=CC=[NH+]C=C1	REAL300030822300	0	49	0.0	-68.14	394.54	2.31	-65.83
C[N@@H+]1CCCC1CCC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030822320	0	50	0.0	-69.32	382.44	2.95	-66.37
C[N@H+]1CCCC1CCC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030822320	1	50	0.0	-63.83	385.83	1.67	-62.16
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1CCC2CCCC[N@@H+]21	REAL300030822336	0	51	0.0	-55.72	392.36	2.59	-53.13
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1CCC2CCCC[N@H+]21	REAL300030822336	1	51	0.0	-57.48	391.95	2.55	-54.93
O=C(CCCC[NH+]1CCCC1)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030822361	0	53	0.0	-65.86	415.87	2.94	-62.92
C[N@H+](CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)CC1=CC=CC=C1	REAL300030822364	1	50	0.0	-65.23	401.22	3.23	-62.00
C[N@@H+](CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)CC1=CC=CC=C1	REAL300030822364	1	50	0.0	-65.21	401.25	3.22	-61.99
C[NH+]1CCC(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)CC1	REAL300030822379	0	47	0.0	-64.76	369.13	1.29	-63.47
C[NH+](C)CC1=CC(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)=NO1	REAL300030822419	1	46	0.0	-73.25	383.34	0.66	-72.59
CC1=C(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C=CC2=C[NH+]=CN21	REAL300030822421	0	45	0.0	-64.54	368.41	3.49	-61.05
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1=CN2C=[NH+]C=C2C=C1	REAL300030822609	0	42	0.0	-72.01	349.97	4.15	-67.86
CC1=[NH+]C=CN1CCCC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030822622	1	48	0.0	-68.32	390.77	3.54	-64.78
O=C(CCCC[NH+]1CCOCC1)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030822626	1	54	0.0	-71.36	417.28	2.19	-69.17
C[NH+](C)CC1=CC=C(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C=C1	REAL300030822630	0	50	0.0	-71.09	402.68	3.12	-67.97
O=C(CC[NH+]1CCOCC1)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030822631	1	48	0.0	-66.49	379.81	-0.37	-66.86
CCC[NH+](CCC)CCCC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030822650	0	58	0.0	-70.31	441.98	4.87	-65.44
CC1=C[NH+]=CN1CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030822668	1	42	0.0	-60.38	354.33	1.98	-58.40
O=C(CN1C=[NH+]C2=C1CCCC2)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030822679	1	49	0.0	-62.93	396.13	3.70	-59.23
C[NH+](C)CC1(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)CCCCC1	REAL300030822711	0	56	0.0	-63.31	397.50	4.15	-59.16
C[N@H+](CCC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1CCCCC1	REAL300030822715	0	56	0.0	-67.91	417.43	4.18	-63.73
C[N@@H+](CCC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1CCCCC1	REAL300030822715	1	56	0.0	-72.30	418.20	4.24	-68.06
C[NH+](C)C1CCCC(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030822756	0	53	0.0	-61.84	396.53	2.32	-59.52
C[N@@H+]1CCC(CC(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030822761	0	47	0.0	-72.90	365.65	2.25	-70.65
C[N@H+]1CCC(CC(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030822761	1	47	0.0	-70.02	365.33	2.19	-67.83
CCC(C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)[NH+](C)C	REAL300030822778	0	46	0.0	-57.68	354.34	0.65	-57.03
C[NH+](C)C1(CC(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)CCCC1	REAL300030822796	0	53	0.0	-65.83	388.06	2.07	-63.76
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1=CC2=C[NH+]=CN2C=C1	REAL300030822849	1	42	0.0	-68.60	354.98	3.14	-65.46
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300030822886	1	45	0.0	-87.47	379.47	2.12	-85.35
C[NH+](C)CCCCC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030822913	0	49	0.0	-69.60	384.37	2.74	-66.86
CCC[N@H+](C)CCC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030822932	0	49	0.0	-71.46	381.40	2.61	-68.85
CCC[N@@H+](C)CCC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030822932	1	49	0.0	-68.39	380.61	2.54	-65.85
CCC[N@H+](C)CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030822936	0	46	0.0	-61.55	363.77	1.04	-60.51
CCC[N@@H+](C)CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030822936	1	46	0.0	-61.64	363.80	1.05	-60.59
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C12CC[N@H+](C1)CCC2	REAL300030822959	0	48	0.0	-67.86	357.78	1.67	-66.19
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C12CC[N@@H+](C1)CCC2	REAL300030822959	1	48	0.0	-68.91	365.40	0.97	-67.94
C[N@@H+]1CCC[C@@H]1C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030823012	0	44	0.0	-63.30	344.11	0.19	-63.11
C[N@H+]1CCC[C@@H]1C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030823012	1	44	0.0	-68.34	343.80	1.52	-66.82
CC1CC2CCC(C(=O)NC3C4OCCN(C(=O)C5=CC(=O)[N-]O5)C34)C[N@@H+]2C1	REAL300030823036	0	54	0.0	-64.32	404.69	3.82	-60.50
CC1CC2CCC(C(=O)NC3C4OCCN(C(=O)C5=CC(=O)[N-]O5)C34)C[N@H+]2C1	REAL300030823036	1	54	0.0	-66.78	408.02	3.95	-62.83
CCCCCC[N@H+](C)CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030823078	0	55	0.0	-62.61	428.27	3.39	-59.22
CCCCCC[N@@H+](C)CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030823078	1	55	0.0	-62.63	428.30	3.39	-59.24
CC[NH+](CC)CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030823094	0	46	0.0	-66.01	354.48	2.00	-64.01
CCC[N@@H+]1CCCC(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030823121	0	53	0.0	-69.64	399.57	3.53	-66.11
CCC[N@H+]1CCCC(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030823121	1	53	0.0	-59.04	401.67	2.85	-56.19
CC(C)[N@@H+]1CCOC(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030823137	1	51	0.0	-63.33	396.58	1.26	-62.07
CC(C)[N@H+]1CCOC(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030823137	1	51	0.0	-73.28	384.65	2.11	-71.17
CC1CC[NH+](CC(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)CC1	REAL300030823174	0	50	0.0	-65.56	382.12	3.06	-62.50
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300030823199	1	45	0.0	-77.82	379.10	2.10	-75.72
C[NH+]1CCC(OCC(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)CC1	REAL300030823206	0	51	0.0	-72.94	398.96	2.68	-70.26
C[NH+](C)CC1(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)CC1	REAL300030823221	0	47	0.0	-69.88	369.00	1.37	-68.51
CC1=[NH+]C=C2CCC(C(=O)NC3C4OCCN(C(=O)C5=CC(=O)[N-]O5)C34)CN21	REAL300030823222	1	49	0.0	-61.24	383.08	3.20	-58.04
CC(C)[NH+]1CCC(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)CC1	REAL300030823307	0	53	0.0	-62.25	403.44	2.48	-59.77
C[NH+]1CCC(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)CC1	REAL300030823332	0	47	0.0	-64.76	369.13	1.29	-63.47
CCC(C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)[NH+](CC)CC	REAL300030823368	0	52	0.0	-55.99	385.72	1.77	-54.22
CC[N@H+](C)CCC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030823454	0	46	0.0	-70.72	359.90	1.85	-68.87
CC[N@@H+](C)CCC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030823454	1	46	0.0	-70.63	359.90	1.86	-68.77
CC1CCC[N@@H+]1CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030823514	0	47	0.0	-62.84	364.14	2.37	-60.47
CC1CCC[N@H+]1CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030823514	1	47	0.0	-62.17	357.88	1.96	-60.21
CC1CC[N@H+](CC(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030823516	0	47	0.0	-66.58	365.88	2.38	-64.20
CC1CC[N@@H+](CC(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030823516	1	47	0.0	-61.40	369.47	1.38	-60.02
CC(C)(C)[N@@H+]1CCC(F)(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030823517	0	53	0.0	-65.01	400.47	2.94	-62.07
CC(C)(C)[N@H+]1CCC(F)(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030823517	1	53	0.0	-65.96	401.16	2.96	-63.00
CC1=[NH+]C=C2CC(C(=O)NC3C4OCCN(C(=O)C5=CC(=O)[N-]O5)C34)CCN21	REAL300030823518	1	49	0.0	-62.61	388.25	3.33	-59.28
CC1(C)CC[N@H+](CC(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030823521	0	50	0.0	-64.71	383.83	2.85	-61.86
CC1(C)CC[N@@H+](CC(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030823521	1	50	0.0	-60.28	389.46	1.88	-58.40
C[N@H+](CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)CC(C)(C)C	REAL300030823522	0	52	0.0	-61.14	392.66	2.07	-59.07
C[N@@H+](CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)CC(C)(C)C	REAL300030823522	1	52	0.0	-61.23	393.99	2.19	-59.04
CC[C@@H](C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)[NH+](C)C	REAL300030823531	0	46	0.0	-62.26	349.94	1.71	-60.55
CC(COCC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)[NH+]1CCCC1	REAL300030823538	0	54	0.0	-61.41	423.12	2.38	-59.03
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1CC[NH+](CC2CC2)CC1	REAL300030823615	0	54	0.0	-67.74	418.34	3.51	-64.23
C[NH+]1CCC(O)(CC(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)CC1	REAL300030823740	0	51	0.0	-68.03	387.42	1.07	-66.96
COCC[N@@H+]1CCCC1CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030823746	0	54	0.0	-69.66	409.19	1.97	-67.69
COCC[N@H+]1CCCC1CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030823746	1	54	0.0	-68.53	418.33	2.10	-66.43
C[NH+](C)CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030823753	0	40	0.0	-67.52	319.80	0.66	-66.86
O=C(C[NH+]1CCC(CO)CC1)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030823757	1	51	0.0	-66.85	392.95	-0.25	-67.10
O=C(C[NH+]1CCCCCC1)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030823761	0	50	0.0	-64.83	370.09	2.65	-62.18
CN1C=C[N+](CC(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)=C1	REAL300030823766	0	42	0.0	-59.07	355.77	3.14	-55.93
C[N@@H+]1CCCC(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030823776	0	47	0.0	-57.06	362.88	1.45	-55.61
C[N@H+]1CCCC(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030823776	1	47	0.0	-69.56	364.35	2.29	-67.27
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1CCC[N@@H+]1C1CC1	REAL300030823781	0	48	0.0	-60.29	370.52	2.92	-57.37
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1CCC[N@H+]1C1CC1	REAL300030823781	1	48	0.0	-61.69	374.62	1.48	-60.21
CC(C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)[NH+]1CCC1	REAL300030823811	1	44	0.0	-65.60	348.72	1.65	-63.95
CCC(CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C[NH+](C)C	REAL300030823820	0	52	0.0	-70.30	393.96	3.16	-67.14
O=C(C[NH+]1CCC(O)CC1)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030823865	1	48	0.0	-73.96	372.62	-0.83	-74.79
C[N@H+](CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1CC1	REAL300030823867	0	44	0.0	-64.24	349.04	2.06	-62.18
C[N@@H+](CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1CC1	REAL300030823867	1	44	0.0	-64.59	349.21	2.07	-62.52
CC(C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)N1CC[NH+](C)CC1	REAL300030823868	1	52	0.0	-68.96	392.98	0.50	-68.46
C[NH+]1CC(CC(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030823891	0	44	0.0	-68.71	351.24	1.47	-67.24
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1CC[N@@H+]1C1CCCC1	REAL300030823895	0	51	0.0	-61.21	389.23	2.00	-59.21
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1CC[N@H+]1C1CCCC1	REAL300030823895	1	51	0.0	-64.39	382.18	3.04	-61.35
CC(C)(C)[N@@H+]1CCC1C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030823902	0	50	0.0	-59.74	369.27	0.75	-58.99
CC(C)(C)[N@H+]1CCC1C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030823902	1	50	0.0	-59.40	385.85	1.36	-58.04
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300030823912	0	50	0.0	-65.59	391.57	0.96	-64.63
C[C@@H](C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)[NH+](C)C	REAL300030823915	0	43	0.0	-64.80	337.40	1.09	-63.71
CCC1CCC[N@H+](CC(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030823959	0	53	0.0	-61.74	398.23	2.71	-59.03
CCC1CCC[N@@H+](CC(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030823959	1	53	0.0	-61.97	398.14	2.71	-59.26
C[NH+](C)CC1=CC=C(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)N1	REAL300030823967	0	48	0.0	-88.74	386.44	2.09	-86.65
C[NH+]1C2CCC1CC(CC(=O)NC1C3OCCN(C(=O)C4=CC(=O)[N-]O4)C13)C2	REAL300030823979	0	54	0.0	-70.59	383.35	3.04	-67.55
[NH2+]=C1SC=CN1CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824018	0	40	0.0	-56.27	351.61	-0.19	-56.46
C[N@H+](CCO)CCC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824028	0	47	0.0	-67.91	369.46	-1.42	-69.33
C[N@@H+](CCO)CCC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824028	1	47	0.0	-69.28	370.10	-1.33	-70.61
C[C@@H](C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)[NH+](C)C	REAL300030824029	0	43	0.0	-64.80	337.40	1.09	-63.71
C[N@@H+]1CCCC[C@@H]1C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824033	0	47	0.0	-67.77	348.78	1.84	-65.93
C[N@H+]1CCCC[C@@H]1C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824033	1	47	0.0	-61.66	360.88	2.26	-59.40
CC1CN2CC[N@@H+]1CC2C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824040	0	50	0.0	-58.84	377.16	-1.41	-60.25
CC1CN2CC[N@H+]1CC2C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824040	1	50	0.0	-69.98	375.75	-1.47	-71.45
O=C(CC1=CC2=C[NH+]=CN2C=C1)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824097	0	45	0.0	-66.70	374.23	4.83	-61.87
C[N@H+](CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1CCSC1	REAL300030824125	0	48	0.0	-64.86	384.03	1.86	-63.00
C[N@@H+](CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1CCSC1	REAL300030824125	1	48	0.0	-67.72	383.49	1.89	-65.83
C[NH+](C)CC1=CC(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)=CC=N1	REAL300030824158	1	49	0.0	-64.54	398.68	1.66	-62.88
C[N@@H+]1CCC(=CC(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030824159	0	45	0.0	-71.28	357.72	2.15	-69.13
C[N@H+]1CCC(=CC(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030824159	1	45	0.0	-73.32	357.68	2.23	-71.09
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1C[NH+](C2CCCCC2)C1	REAL300030824183	0	54	0.0	-69.20	410.98	3.93	-65.27
C[NH+](C)CCOCC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824196	0	47	0.0	-67.26	374.77	1.66	-65.60
CCCCC[N@H+](C)CCC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824203	0	55	0.0	-72.24	424.39	4.16	-68.08
CCCCC[N@@H+](C)CCC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824203	1	55	0.0	-69.27	423.61	4.10	-65.17
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)O1	REAL300030824212	0	51	0.0	-70.02	398.15	2.65	-67.37
C=CCC(C)(C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)[NH+](C)C	REAL300030824224	0	50	0.0	-57.05	377.69	1.62	-55.43
C[S+](C)CCC(O)C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824229	0	46	0.0	-69.86	389.40	-0.72	-70.58
CN1CC[N@H+](C)CC(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030824272	0	52	0.0	-66.09	389.64	0.82	-65.27
CN1CC[N@@H+](C)CC(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030824272	1	52	0.0	-66.09	389.64	0.82	-65.27
CC(C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)N1CCCC(O)C1	REAL300030824273	0	51	0.0	-62.64	386.68	-0.28	-62.92
CC(C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)[N@@H+]1CCCC(O)C1	REAL300030824273	1	51	0.0	-68.85	390.18	-0.41	-69.26
CC(C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)[N@H+]1CCCC(O)C1	REAL300030824273	1	51	0.0	-68.85	390.18	-0.41	-69.26
O=C(CN1CCC(CO)CC1)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824287	0	51	0.0	-66.85	392.95	-0.25	-67.10
O=C(C[NH+]1CCC(CO)CC1)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824287	1	51	0.0	-66.85	392.95	-0.25	-67.10
C[N@@H+]1CCCC(O)(CC(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030824297	0	51	0.0	-62.38	394.83	-0.04	-62.42
C[N@H+]1CCCC(O)(CC(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030824297	1	51	0.0	-62.38	394.83	-0.04	-62.42
CC1CN(CC(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030824301	0	44	0.0	-68.47	349.29	1.81	-66.66
CC1C[NH+](CC(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030824301	1	44	0.0	-68.47	349.29	1.81	-66.66
NC(=O)C1CCN(CC(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)CC1	REAL300030824305	0	51	0.0	-78.17	397.19	-0.88	-79.05
NC(=O)C1CC[NH+](CC(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)CC1	REAL300030824305	1	51	0.0	-78.17	397.19	-0.88	-79.05
CN(CCO)CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824329	0	44	0.0	-61.60	352.65	-2.93	-64.53
C[N@H+](CCO)CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824329	1	44	0.0	-61.27	352.62	-2.95	-64.22
C[N@@H+](CCO)CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824329	1	44	0.0	-61.27	352.62	-2.95	-64.22
C[NH+]1C2CCC1CC(=CC(=O)NC1C3OCCN(C(=O)C4=CC(=O)[N-]O4)C13)C2	REAL300030824348	0	52	0.0	-66.19	397.78	2.60	-63.59
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1C[N@@H+]2CCN1CCC2	REAL300030824352	0	50	0.0	-70.69	365.41	0.35	-70.34
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1C[N@H+]2CCN1CCC2	REAL300030824352	1	50	0.0	-70.69	365.41	0.35	-70.34
CC[N@@H+]1CCCC(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030824359	0	50	0.0	-61.62	370.80	3.01	-58.61
CC[N@H+]1CCCC(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030824359	1	50	0.0	-61.62	370.80	3.01	-58.61
CC(CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C[NH+](C)C	REAL300030824361	0	49	0.0	-68.76	376.20	2.59	-66.17
CC[N@H+](C)CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824376	0	43	0.0	-61.36	342.29	0.31	-61.05
CC[N@H+](CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1CC1	REAL300030824431	0	47	0.0	-63.85	368.62	2.70	-61.15
CC[NH+](CC)CCC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824450	0	49	0.0	-66.51	376.62	2.52	-63.99
O=C(CCCC[NH+]1CCCCC1)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824487	0	56	0.0	-72.27	426.34	4.63	-67.64
CC1(O)CCN(CC(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030824515	0	48	0.0	-61.90	380.30	-1.94	-63.84
CC1(O)CC[N@H+](CC(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030824515	1	48	0.0	-60.73	380.77	-1.95	-62.68
CC1(O)CC[N@@H+](CC(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030824515	1	48	0.0	-60.73	380.77	-1.95	-62.68
C[NH+](C)CC=CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824525	0	44	0.0	-68.97	360.50	0.85	-68.12
CC(OCC[NH+](C)C)C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824545	0	50	0.0	-60.54	400.20	1.37	-59.17
C[NH+](C)CCOCCC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824556	0	50	0.0	-71.53	396.54	1.48	-70.05
COCCN(C)CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824557	0	47	0.0	-60.83	374.87	-0.55	-61.38
COCC[N@H+](C)CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824557	1	47	0.0	-61.61	374.91	-0.53	-62.14
COCC[N@@H+](C)CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824557	1	47	0.0	-61.61	374.91	-0.53	-62.14
COCCCC[N@H+](C)CCC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824584	0	56	0.0	-72.08	435.78	2.39	-69.69
COCCCC[N@@H+](C)CCC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824584	1	56	0.0	-72.08	435.78	2.39	-69.69
CC(CCC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)[NH+](C)C	REAL300030824607	0	49	0.0	-68.87	372.42	2.32	-66.55
CCN1CCC1C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824617	0	44	0.0	-60.68	356.25	0.66	-60.02
CC[N@@H+]1CCC1C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824617	1	44	0.0	-68.46	350.83	1.61	-66.85
CC[N@H+]1CCC1C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824617	1	44	0.0	-68.46	350.83	1.61	-66.85
CC(C)[N@@H+]1CCCC(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030824629	0	53	0.0	-59.24	385.58	3.36	-55.88
CC(C)[N@H+]1CCCC(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030824629	1	53	0.0	-59.24	385.58	3.36	-55.88
O=C(C[N@H+]1CCCC1CO)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824643	0	48	0.0	-60.08	373.81	-2.32	-62.40
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1CC2CCCC[N@@H+]2C1	REAL300030824665	0	51	0.0	-63.27	385.73	3.28	-59.99
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1CC2CCCC[N@H+]2C1	REAL300030824665	1	51	0.0	-63.27	385.73	3.28	-59.99
CC(C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)N1CCC(O)CC1	REAL300030824690	0	51	0.0	-70.63	388.15	-0.52	-71.15
CC(C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)[NH+]1CCC(O)CC1	REAL300030824690	1	51	0.0	-70.63	388.15	-0.52	-71.15
C=CCC(C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)[NH+](C)C	REAL300030824704	0	47	0.0	-58.53	371.35	1.31	-57.22
C[N@@H+]1CC(C)(C)CC1C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824716	0	50	0.0	-58.31	389.88	1.87	-56.44
C[NH+](C)CCCCCC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824721	0	52	0.0	-69.25	405.87	3.52	-65.73
CC1C[N@@H+]2CCN1C(C(=O)NC1C3OCCN(C(=O)C4=CC(=O)[N-]O4)C13)C2	REAL300030824765	0	50	0.0	-82.56	372.46	-0.25	-82.81
CCCC(C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)[NH+](C)C	REAL300030824766	0	49	0.0	-59.01	378.74	1.55	-57.46
CC[NH+](CC)CCSCC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824807	0	53	0.0	-70.07	417.36	3.58	-66.49
C[N@@H+]1CCCCC1C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824816	0	47	0.0	-62.96	347.44	1.94	-61.02
C[N@H+]1CC=C(CC(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)CC1	REAL300030824862	0	48	0.0	-66.10	378.95	2.97	-63.13
C[N@@H+]1CC=C(CC(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)CC1	REAL300030824862	1	48	0.0	-66.05	377.67	2.85	-63.20
O=C(CC1([NH+]2CCCC2)CC1)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824870	0	51	0.0	-66.93	384.30	3.42	-63.51
CN(C)CC1=CC=C(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)O1	REAL300030824924	0	47	0.0	-70.48	388.05	1.34	-69.14
C[NH+](C)CC1=CC=C(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)O1	REAL300030824924	1	47	0.0	-70.48	388.05	1.34	-69.14
O=C(C=CC[NH+]1CCCC1)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824944	0	48	0.0	-67.40	386.84	2.06	-65.34
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1CC[NH+](C2CC2)CC1	REAL300030824967	0	51	0.0	-62.01	393.96	2.51	-59.50
O=C(CC[NH+]1CCCC1)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824989	0	47	0.0	-67.12	367.34	2.32	-64.80
O=C(C[N@@H+]1CC2CCC1C2)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030825051	0	48	0.0	-63.52	365.28	2.69	-60.83
CC(C)[NH+]1CCC(CC(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)CC1	REAL300030825062	0	56	0.0	-65.96	413.67	3.97	-61.99
O=C(C=C1C[NH+]2CCC1CC2)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030825107	0	49	0.0	-62.55	380.68	2.03	-60.52
CC(C[NH+](C)C)C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030825167	0	46	0.0	-64.89	362.94	0.91	-63.98
C[N@@H+]1CCCCC1CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030825255	0	50	0.0	-54.47	375.98	1.69	-52.78
C[N@H+]1CCCCC1CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030825255	1	50	0.0	-54.47	375.98	1.69	-52.78
CC1=C2C=C(C(=O)NC3C4OCCN(C(=O)C5=CC(=O)[N-]O5)C34)C=CN2C=N1	REAL300030825273	0	45	0.0	-78.33	372.16	4.74	-73.59
CC1=C2C=C(C(=O)NC3C4OCCN(C(=O)C5=CC(=O)[N-]O5)C34)C=CN2C=[NH+]1	REAL300030825273	1	45	0.0	-78.33	372.16	4.74	-73.59
CC(C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)N1CC(C)C1	REAL300030825274	0	47	0.0	-64.89	368.97	2.35	-62.54
CC(C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)[NH+]1CC(C)C1	REAL300030825274	1	47	0.0	-64.89	368.97	2.35	-62.54
CC1CCN1CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030825278	0	44	0.0	-59.39	350.33	0.44	-58.95
CC1CC[N@@H+]1CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030825278	1	44	0.0	-63.82	345.26	1.47	-62.35
CC1CC[N@H+]1CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030825278	1	44	0.0	-63.82	345.26	1.47	-62.35
C[NH+](C)CC(O)CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030825282	0	47	0.0	-75.38	372.27	-0.34	-75.72
CC1CN(C)CC(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)O1	REAL300030825314	0	48	0.0	-70.90	370.85	1.74	-69.16
CC1C[N@H+](C)CC(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)O1	REAL300030825314	1	48	0.0	-67.37	382.82	0.81	-66.56
CC1C[N@@H+](C)CC(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)O1	REAL300030825314	1	48	0.0	-67.37	382.82	0.81	-66.56
O=C(CC[NH+]1CCC(O)CC1)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030825325	0	51	0.0	-72.22	394.43	-0.30	-72.52
CCC[N@@H+]1CCCCC1C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030825328	0	53	0.0	-60.95	395.88	2.47	-58.48
CCC[N@H+]1CCCCC1C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030825328	1	53	0.0	-60.95	395.88	2.47	-58.48
CC[NH+]1CCN(CCC(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)CC1	REAL300030825333	0	55	0.0	-64.56	423.15	0.28	-64.28
CCN1CC[NH+](CCC(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)CC1	REAL300030825333	1	55	0.0	-64.56	423.15	0.28	-64.28
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300030825336	0	54	0.0	-59.85	393.57	4.09	-55.76
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300030825336	1	54	0.0	-59.85	393.57	4.09	-55.76
CC(C)C[NH+]1CCC(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)CC1	REAL300030825379	0	56	0.0	-64.93	425.14	3.41	-61.52
C[NH+](C)C1CCN(CC(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)CC1	REAL300030825398	0	55	0.0	-70.26	412.62	1.39	-68.87
C[NH+](C)[C@H]1C[C@H](C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030825419	0	47	0.0	-67.08	374.28	1.34	-65.74
CC(CC[NH+](C)C)C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030825427	0	49	0.0	-66.48	384.58	1.54	-64.94
C[N@H+](CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)[C@@H]1CCC[C@H]1O	REAL300030825456	0	51	0.0	-64.73	390.06	-0.09	-64.82
CN1CCN(CC(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)CC1	REAL300030825468	0	49	0.0	-70.33	378.31	0.20	-70.13
C[NH+]1CCN(CC(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)CC1	REAL300030825468	1	49	0.0	-70.33	378.31	0.20	-70.13
NC(=[NH2+])SCC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030825503	0	38	0.0	-72.58	328.33	-2.47	-75.05
CC[N@H+]1CCOCC1CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030825546	1	51	0.0	-65.99	392.30	0.10	-65.89
CC1CCCC(C)[NH+]1CCC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030825562	0	56	0.0	-68.03	410.06	3.78	-64.25
C[NH+](C)C1CCC(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)CC1	REAL300030825565	0	53	0.0	-69.14	403.42	2.47	-66.67
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)CC1	REAL300030825569	0	53	0.0	-68.84	392.10	3.34	-65.50
C[N@@H+]1CC=CCC1CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030825570	0	48	0.0	-76.24	370.19	2.72	-73.52
C[N@H+]1CC=CCC1CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030825570	1	48	0.0	-61.59	365.10	2.58	-59.01
C[C@@H](OCC[NH+](C)C)C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030825595	0	50	0.0	-63.04	394.87	2.46	-60.58
C[NH+]1C2CCC1CC(C(=O)NC1C3OCCN(C(=O)C4=CC(=O)[N-]O4)C13)C2	REAL300030825623	0	51	0.0	-56.81	367.21	2.13	-54.68
CC(C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)[NH+]1CCSCC1	REAL300030825752	1	48	0.0	-67.07	374.46	2.49	-64.58
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1C[NH+](C2CCOCC2)C1	REAL300030825756	0	52	0.0	-75.09	403.00	1.59	-73.50
C[N@@H+]1CCC[C@H]1C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030825766	0	44	0.0	-61.97	344.40	1.51	-60.46
C[N@H+]1CCC[C@H]1C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030825766	1	44	0.0	-65.26	338.29	1.13	-64.13
O=C(CC[N@H+]1CCC(F)C1)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030825775	0	47	0.0	-72.08	372.71	2.35	-69.73
O=C(CC[N@@H+]1CCC(F)C1)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030825775	1	47	0.0	-68.29	378.80	1.45	-66.84
O=C(CC[NH+]1CCCCCC1)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030825795	0	53	0.0	-68.41	393.03	3.22	-65.19
O=C(C[NH+]1CCCCC1)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030825797	0	47	0.0	-60.68	366.26	1.50	-59.18
CC1C(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)CC[N@@H+]1C	REAL300030825805	0	47	0.0	-66.33	365.33	2.01	-64.32
CC1C(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)CC[N@H+]1C	REAL300030825805	1	47	0.0	-61.32	362.13	0.92	-60.40
C[N@@H+]1CCCCC1CCC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030825808	0	53	0.0	-66.58	400.55	3.48	-63.10
C[N@H+]1CCCCC1CCC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030825808	1	53	0.0	-74.28	393.72	3.37	-70.91
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1CC[N@@H+]2CCOCC12	REAL300030825838	0	49	0.0	-77.74	379.38	0.96	-76.78
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1CC[N@H+]2CCOCC12	REAL300030825838	1	49	0.0	-64.65	383.25	-0.09	-64.74
CC1=[NH+]C=C2C=CC(C(=O)NC3C4OCCN(C(=O)C5=CC(=O)[N-]O5)C34)=CN21	REAL300030825845	0	45	0.0	-69.25	371.42	3.93	-65.32
C[N@@H+]1CCOCC1CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030825865	1	48	0.0	-71.67	369.96	0.43	-71.24
C[N@H+]1CCOCC1CC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030825865	1	48	0.0	-64.76	362.93	0.34	-64.42
CC1=C(C)[NH+]=C(CCC(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)N1	REAL300030825876	1	48	0.0	-58.64	394.78	0.91	-57.73
CC(C)C[N@@H+]1CCCC(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030825891	0	56	0.0	-61.10	411.04	4.47	-56.63
CC(C)C[N@H+]1CCCC(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C1	REAL300030825891	1	56	0.0	-57.25	416.47	3.52	-53.73
C[N@@H+]1CCCC1C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030826055	0	44	0.0	-70.14	349.44	0.49	-69.65
C[N@H+]1CCCC1C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030826055	1	44	0.0	-69.65	340.68	1.18	-68.47
CC1=[NH+]C=CN1CCCC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030826249	1	48	0.0	-61.25	393.55	3.73	-57.52
O=C(CCCC[NH+]1CCOCC1)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030826253	1	54	0.0	-72.91	420.41	2.30	-70.61
C[NH+](C)CC1=CC=C(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C=C1	REAL300030826257	0	50	0.0	-83.42	405.26	2.87	-80.55
O=C(CC[NH+]1CCOCC1)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030826258	1	48	0.0	-73.24	377.40	0.74	-72.50
CCC[NH+](CCC)CCCC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030826277	0	58	0.0	-70.34	444.61	4.89	-65.45
O=C(NC1C2OCCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)C12)C1=CC(=O)[N-]O1	REAL300030826305	1	42	0.0	-76.31	348.57	3.81	-72.50
C[NH+](C)C1CCCC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030826370	0	53	0.0	-67.50	396.95	3.34	-64.16
C[N@@H+]1CCC(CC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030826375	0	47	0.0	-68.49	368.95	2.43	-66.06
C[N@H+]1CCC(CC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030826375	1	47	0.0	-75.92	374.18	1.39	-74.53
CCC(C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300030826392	0	46	0.0	-65.19	347.78	1.53	-63.66
O=C(NC1C2OCCN(C(=O)C3=NN(C4=CC=[NH+]C=C4)C=C3)C12)C1=CC(=O)[N-]O1	REAL300030826401	1	45	0.0	-84.33	379.45	2.50	-81.83
CC1CC2CCC(C(=O)N3CCOC4C(NC(=O)C5=CC(=O)[N-]O5)C43)C[N@@H+]2C1	REAL300030826444	0	54	0.0	-68.72	406.94	2.87	-65.85
CC1CC2CCC(C(=O)N3CCOC4C(NC(=O)C5=CC(=O)[N-]O5)C43)C[N@H+]2C1	REAL300030826444	1	54	0.0	-62.64	400.19	3.87	-58.77
C[NH+](C)CCCCC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030826473	0	49	0.0	-71.06	387.51	2.85	-68.21
CCC[N@H+](C)CCC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030826494	0	49	0.0	-76.79	389.11	1.75	-75.04
CCC[N@@H+](C)CCC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030826494	1	49	0.0	-76.71	389.10	1.76	-74.95
CCC[N@H+](C)CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030826498	0	46	0.0	-69.84	361.36	2.08	-67.76
CCC[N@@H+](C)CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030826498	1	46	0.0	-74.06	366.69	1.12	-72.94
O=C(NC1C2OCCN(C(=O)C34CC[N@H+](C3)CCC4)C12)C1=CC(=O)[N-]O1	REAL300030826521	0	48	0.0	-80.98	359.87	0.56	-80.42
O=C(NC1C2OCCN(C(=O)C34CC[N@@H+](C3)CCC4)C12)C1=CC(=O)[N-]O1	REAL300030826521	1	48	0.0	-68.89	356.21	1.63	-67.26
CCCCCC[N@H+](C)CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030826560	0	55	0.0	-70.90	425.86	4.42	-66.48
CCCCCC[N@@H+](C)CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030826560	1	55	0.0	-70.87	425.86	4.43	-66.44
CC1CC[NH+](CC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300030826606	0	50	0.0	-74.56	390.44	2.22	-72.34
O=C(NC1C2OCCN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)C12)C1=CC(=O)[N-]O1	REAL300030826631	1	45	0.0	-76.62	378.53	1.88	-74.74
C[NH+]1CCC(OCC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300030826638	0	51	0.0	-74.26	402.09	2.84	-71.42
O=C(NC1C2OCCN(C(=O)C3CC4CCCC[N@@H+]4C3)C12)C1=CC(=O)[N-]O1	REAL300030826696	0	51	0.0	-72.67	392.21	2.27	-70.40
O=C(NC1C2OCCN(C(=O)C3CC4CCCC[N@H+]4C3)C12)C1=CC(=O)[N-]O1	REAL300030826696	1	51	0.0	-64.22	394.18	2.40	-61.82
C[NH+](C)CC1(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300030826708	0	47	0.0	-69.74	371.19	2.28	-67.46
CC1=[NH+]C=C2CCC(C(=O)N3CCOC4C(NC(=O)C5=CC(=O)[N-]O5)C43)CN21	REAL300030826709	1	49	0.0	-58.89	386.01	3.19	-55.70
CC(C)[NH+]1CCC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300030826719	0	53	0.0	-78.73	393.29	2.99	-75.74
CC[N@H+](C)CCC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030826753	0	46	0.0	-75.97	367.61	1.01	-74.96
CC[N@@H+](C)CCC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030826753	1	46	0.0	-70.70	362.23	1.95	-68.75
O=C(NC1C2OCCN(C(=O)C3C[NH+]4CCC3CC4)C12)C1=CC(=O)[N-]O1	REAL300030826798	0	48	0.0	-82.68	364.64	1.23	-81.45
C[NH+]1CCC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300030826880	0	47	0.0	-81.75	362.63	2.03	-79.72
O=C(NC1C2OCCN(C(=O)C3CC[NH+](CC4CC4)CC3)C12)C1=CC(=O)[N-]O1	REAL300030826967	0	54	0.0	-82.31	411.84	4.24	-78.07
CC[NH+](CC)CC(F)C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030827010	0	49	0.0	-78.52	379.96	2.41	-76.11
CC(C)C[N@@H+]1CCC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030827044	0	53	0.0	-73.05	410.09	2.61	-70.44
CC(C)C[N@H+]1CCC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030827044	1	53	0.0	-69.04	410.94	2.65	-66.39
CCC(C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+](CC)CC	REAL300030827073	0	52	0.0	-62.03	383.73	2.86	-59.17
CC1CCC[N@@H+]1CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030827098	0	47	0.0	-70.30	366.13	1.09	-69.21
CC1CCC[N@H+]1CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030827098	1	47	0.0	-70.21	366.16	1.11	-69.10
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030827175	1	51	0.0	-63.18	407.54	3.88	-59.30
CC(C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+]1CCCCCC1	REAL300030827179	0	53	0.0	-65.01	389.68	3.01	-62.00
CC(C)[N@@H+]1CCCC1C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030827210	0	50	0.0	-58.13	378.23	2.69	-55.44
CC(C)[N@H+]1CCCC1C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030827210	1	50	0.0	-56.82	377.83	2.70	-54.12
CC(C)[N@@H+]1CCCC1CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030827219	0	53	0.0	-60.31	392.82	2.92	-57.39
CC(C)[N@H+]1CCCC1CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030827219	1	53	0.0	-51.73	391.30	2.85	-48.88
CC1CC[N@H+](CC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030827265	0	47	0.0	-68.89	368.36	2.33	-66.56
CC1CC[N@@H+](CC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030827265	1	47	0.0	-73.06	373.64	1.47	-71.59
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030827266	0	53	0.0	-54.97	400.70	2.99	-51.98
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030827266	1	53	0.0	-67.59	399.38	2.78	-64.81
CC1=[NH+]C=C2CC(C(=O)N3CCOC4C(NC(=O)C5=CC(=O)[N-]O5)C43)CCN21	REAL300030827267	1	49	0.0	-62.46	386.69	3.16	-59.30
CC1(C)CC[N@H+](CC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030827270	0	50	0.0	-58.97	387.59	3.04	-55.93
CC1(C)CC[N@@H+](CC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030827270	1	50	0.0	-59.17	387.74	3.03	-56.14
C[N@H+](CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21)CC(C)(C)C	REAL300030827271	0	52	0.0	-69.42	390.72	3.09	-66.33
C[N@@H+](CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21)CC(C)(C)C	REAL300030827271	1	52	0.0	-68.62	392.48	3.25	-65.37
CC[C@@H](C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300030827280	0	46	0.0	-60.66	349.81	1.64	-59.02
CC(COCC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+]1CCCC1	REAL300030827287	0	54	0.0	-68.19	420.73	3.49	-64.70
CN(CCC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21)C1=CC=[NH+]C=C1	REAL300030827432	0	49	0.0	-72.77	402.25	1.45	-71.32
CC1=[NH+]C=CN1CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030827540	1	42	0.0	-66.32	351.56	2.28	-64.04
CC(C[NH+]1CCOCC1)C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030827542	1	51	0.0	-62.40	394.32	1.39	-61.01
O=C(CCC[NH+]1CCCCC1)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030827560	0	53	0.0	-75.22	412.56	2.98	-72.24
C[NH+](C)CC1=CC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=NO1	REAL300030827575	1	46	0.0	-76.20	382.29	1.02	-75.18
CC1=C(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C=CC2=C[NH+]=CN21	REAL300030827577	0	45	0.0	-71.68	373.86	4.58	-67.10
CC(C)C1=[NH+]C=CN1CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030827623	1	48	0.0	-64.52	387.78	3.41	-61.11
O=C(NC1C2OCCN(C(=O)C3CCCC4CCC[N@@H+]43)C12)C1=CC(=O)[N-]O1	REAL300030827670	0	51	0.0	-70.37	380.08	1.78	-68.59
O=C(NC1C2OCCN(C(=O)C3CCCC4CCC[N@H+]43)C12)C1=CC(=O)[N-]O1	REAL300030827670	1	51	0.0	-53.03	387.48	3.51	-49.52
CC[N@@H+]1CCOC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030827701	1	48	0.0	-74.78	373.85	1.61	-73.17
CC[N@H+]1CCOC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030827701	1	48	0.0	-69.87	372.68	1.56	-68.31
O=C(NC1C2OCCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)C12)C1=CC(=O)[N-]O1	REAL300030827763	0	42	0.0	-55.46	357.60	4.12	-51.34
CC1=C[NH+]=CN1CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030827768	1	42	0.0	-73.41	357.23	2.06	-71.35
C[NH+](C)CCN1C=C(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C=N1	REAL300030827773	0	50	0.0	-81.36	408.08	0.88	-80.48
C[NH+](C)CCN1C=CC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=N1	REAL300030827786	0	50	0.0	-87.35	403.66	2.51	-84.84
C[C@@H]1[C@H](C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC[N@@H+]1C	REAL300030827793	0	47	0.0	-68.10	358.09	2.07	-66.03
C[C@@H]1[C@H](C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC[N@H+]1C	REAL300030827793	1	47	0.0	-67.30	363.98	1.94	-65.36
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030827795	1	51	0.0	-63.83	408.10	3.92	-59.91
CC[C@@H]1[C@@H](C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC[N@@H+]1C	REAL300030827798	0	50	0.0	-75.55	385.74	1.39	-74.16
CC[C@@H]1[C@@H](C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC[N@H+]1C	REAL300030827798	1	50	0.0	-67.94	381.35	2.52	-65.42
CC1CCC(C)[NH+]1CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030827814	0	50	0.0	-65.67	379.58	2.73	-62.94
O=C(CCC[NH+]1CCCC1)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030827821	0	50	0.0	-64.08	392.41	3.36	-60.72
C[NH+](C)CC1=CC=CC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=C1	REAL300030827822	0	50	0.0	-72.16	398.97	3.89	-68.27
C#CC[NH+]1CCC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300030827828	0	49	0.0	-83.05	387.30	3.18	-79.87
O=C(CC[NH+]1CCCCC1)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030827829	0	50	0.0	-62.55	386.58	3.27	-59.28
O=C(CN1C=[NH+]C2=C1CCCC2)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030827847	1	49	0.0	-66.05	393.72	4.73	-61.32
C[NH+](C)CC1(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CCCCC1	REAL300030827880	0	56	0.0	-72.85	405.78	3.86	-68.99
C[N@H+](CCC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21)C1CCCCC1	REAL300030827884	0	56	0.0	-77.17	425.89	3.38	-73.79
C[N@@H+](CCC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21)C1CCCCC1	REAL300030827884	1	56	0.0	-71.54	420.56	4.31	-67.23
C[NH+](C)C1(CC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CCCC1	REAL300030827887	0	53	0.0	-70.97	384.91	3.22	-67.75
C[N@H+](CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21)C1CCC1	REAL300030828084	0	47	0.0	-67.74	368.23	2.64	-65.10
C[N@@H+](CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21)C1CCC1	REAL300030828084	1	47	0.0	-67.44	368.37	2.65	-64.79
CC(C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+]1C(C)CCC1C	REAL300030828109	0	53	0.0	-60.00	385.38	3.17	-56.83
O=C(CCCC[NH+]1CCCC1)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030828128	0	53	0.0	-75.13	418.85	3.10	-72.03
C[N@H+](CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21)CC1=CC=CC=C1	REAL300030828131	1	50	0.0	-78.70	404.11	3.31	-75.39
C[N@@H+](CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21)CC1=CC=CC=C1	REAL300030828131	1	50	0.0	-78.85	404.13	3.31	-75.54
C[NH+]1CCC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300030828146	0	47	0.0	-81.75	362.63	2.03	-79.72
C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030828198	0	44	0.0	-64.31	341.39	1.26	-63.05
C[N@H+]1CCC[C@@H]1C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030828198	1	44	0.0	-66.55	343.48	1.43	-65.12
C[N@@H+]1CCCC1CCC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030828229	0	50	0.0	-76.72	394.86	2.28	-74.44
C[N@H+]1CCCC1CCC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030828229	1	50	0.0	-73.80	389.40	1.81	-71.99
O=C(NC1C2OCCN(C(=O)C3CCC4CCCC[N@@H+]43)C12)C1=CC(=O)[N-]O1	REAL300030828245	0	51	0.0	-62.81	386.07	3.44	-59.37
O=C(NC1C2OCCN(C(=O)C3CCC4CCCC[N@H+]43)C12)C1=CC(=O)[N-]O1	REAL300030828245	1	51	0.0	-70.44	386.89	2.21	-68.23
CCC[N@@H+]1CCCC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030828322	0	53	0.0	-63.74	395.25	3.61	-60.13
CCC[N@H+]1CCCC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030828322	1	53	0.0	-63.96	401.85	3.52	-60.44
CC(C)[N@@H+]1CCOC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030828338	1	51	0.0	-69.36	383.77	2.04	-67.32
CC(C)[N@H+]1CCOC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030828338	1	51	0.0	-67.76	383.10	2.04	-65.72
O=C(C[NH+]1CCC(CO)CC1)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030828412	0	51	0.0	-77.83	401.28	-1.10	-78.93
C[NH+]1C2CCC1CC(=CC(=O)N1CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C31)C2	REAL300030828449	0	52	0.0	-68.41	398.81	2.44	-65.97
CC1C(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC[N@@H+]1C	REAL300030828467	0	47	0.0	-67.68	366.60	0.86	-66.82
CC1C(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC[N@H+]1C	REAL300030828467	1	47	0.0	-57.92	360.35	1.84	-56.08
C[N@@H+]1CCCCC1CCC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030828471	0	53	0.0	-65.28	403.93	3.74	-61.54
C[N@H+]1CCCCC1CCC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030828471	1	53	0.0	-68.21	403.22	3.65	-64.56
NC1=[NH+]C2=C(C=C1C(=O)N1CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C31)CCC2	REAL300030828504	1	47	0.0	-65.92	383.04	0.46	-65.46
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030828570	0	50	0.0	-58.05	363.27	1.73	-56.32
CC(C)(C)[N@H+]1CCC1C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030828570	1	50	0.0	-67.87	360.10	1.28	-66.59
O=C(NC1C2OCCN(C(=O)C3CCN(C4=CC=[NH+]C=C4)C3)C12)C1=CC(=O)[N-]O1	REAL300030828588	0	50	0.0	-68.56	395.73	1.17	-67.39
C[C@@H](C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300030828593	0	43	0.0	-72.43	343.15	0.08	-72.35
C[NH+](C)CC1=CC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=CC=N1	REAL300030828613	1	49	0.0	-71.58	395.00	2.06	-69.52
C=CCC(C)(C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300030828619	0	50	0.0	-61.70	366.61	2.16	-59.54
CC[NH+](CC)CCSCC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030828652	0	53	0.0	-71.04	424.65	4.02	-67.02
NC1=C(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C=[NH+]C2=CC=CC=C21	REAL300030828653	1	46	0.0	-52.16	376.74	0.86	-51.30
O=C(CC[NH+]1CCCC1)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030828658	0	47	0.0	-62.95	370.91	2.55	-60.40
C[N@H+](CCO)CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030828667	1	44	0.0	-75.19	355.54	-2.85	-78.04
C[N@@H+](CCO)CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030828667	1	44	0.0	-69.66	350.27	-1.86	-71.52
O=C(NC1C2OCCN(C(=O)C3C[N@@H+]4CCN3CCC4)C12)C1=CC(=O)[N-]O1	REAL300030828705	0	50	0.0	-83.05	373.00	-1.10	-84.15
O=C(NC1C2OCCN(C(=O)C3C[N@H+]4CCN3CCC4)C12)C1=CC(=O)[N-]O1	REAL300030828705	1	50	0.0	-76.96	365.30	0.05	-76.91
CC(C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+]1CCSCC1	REAL300030828732	1	48	0.0	-62.48	373.36	2.41	-60.07
C[N@H+]1CC=C(CC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300030828776	0	48	0.0	-65.71	381.71	3.15	-62.56
C[N@@H+]1CC=C(CC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300030828776	1	48	0.0	-70.20	386.55	2.11	-68.09
C[S+](C)CCC(O)C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030828791	0	46	0.0	-63.52	382.66	0.10	-63.42
CN1CC[N@H+](C)CC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030828830	0	52	0.0	-62.61	390.77	0.57	-62.04
CN1CC[N@@H+](C)CC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030828830	1	52	0.0	-61.55	388.31	0.67	-60.88
CC(C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[N@@H+]1CCCC(O)C1	REAL300030828831	0	51	0.0	-67.21	391.08	-0.51	-67.72
CC(C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[N@H+]1CCCC(O)C1	REAL300030828831	1	51	0.0	-66.52	391.04	-0.48	-67.00
C[N@@H+]1CCCC(O)(CC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030828870	0	51	0.0	-64.13	382.78	0.97	-63.16
C[N@H+]1CCCC(O)(CC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030828870	1	51	0.0	-67.78	392.18	1.07	-66.71
CC1C[NH+](CC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030828876	1	44	0.0	-74.98	357.59	0.87	-74.11
CC[N@@H+]1CCCC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030828882	0	50	0.0	-63.58	373.78	2.85	-60.73
CC[N@H+]1CCCC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030828882	1	50	0.0	-62.68	379.89	1.89	-60.79
NC1=[NH+]C=CC=C1CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030828893	0	43	0.0	-67.07	356.38	0.53	-66.54
O=C(NC1C2OCCN(C(=O)C3CCC[N@@H+]3C3CC3)C12)C1=CC(=O)[N-]O1	REAL300030828906	0	48	0.0	-68.89	381.63	2.03	-66.86
O=C(NC1C2OCCN(C(=O)C3CCC[N@H+]3C3CC3)C12)C1=CC(=O)[N-]O1	REAL300030828906	1	48	0.0	-68.47	376.15	1.91	-66.56
O=C(C=CC[NH+]1CCCC1)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030828956	0	48	0.0	-81.42	383.36	3.13	-78.29
O=C(NC1C2OCCN(C(=O)C3CC[NH+](C4CC4)CC3)C12)C1=CC(=O)[N-]O1	REAL300030828981	0	51	0.0	-69.21	390.49	3.41	-65.80
CC[N@H+](C)CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030829026	0	43	0.0	-69.38	339.86	1.34	-68.04
O=C(CN1CC2C=CC1C2)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030829091	0	46	0.0	-59.81	361.66	2.66	-57.15
O=C(C[N@@H+]1CC2C=CC1C2)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030829091	1	46	0.0	-66.88	361.22	2.56	-64.32
O=C(C[N@H+]1CC2C=CC1C2)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030829091	1	46	0.0	-66.88	361.22	2.56	-64.32
CC1=CC=C(NCCC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)N=C1	REAL300030829114	0	49	0.0	-70.17	406.38	1.19	-68.98
CC1=CC=C(NCCC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)[NH+]=C1	REAL300030829114	1	49	0.0	-70.17	406.38	1.19	-68.98
CC(OCC[NH+](C)C)C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030829250	0	50	0.0	-68.40	394.69	2.26	-66.14
C[NH+](C)CCOCCC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030829262	0	50	0.0	-67.53	398.97	1.50	-66.03
COCCN(C)CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030829264	0	47	0.0	-69.78	372.53	0.54	-69.24
COCC[N@H+](C)CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030829264	1	47	0.0	-75.56	377.79	-0.45	-76.01
COCC[N@@H+](C)CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030829264	1	47	0.0	-75.56	377.79	-0.45	-76.01
CC(CCC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300030829271	0	49	0.0	-72.78	375.83	2.44	-70.34
CC[N@H+](CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21)C1CC1	REAL300030829306	0	47	0.0	-66.88	368.13	2.69	-64.19
CC1C[N@@H+]2CCN1C(C(=O)N1CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C31)C2	REAL300030829317	0	50	0.0	-83.48	376.95	-1.63	-85.11
CC1=NC(N)=CC=C1C=CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030829359	0	47	0.0	-76.74	386.03	1.39	-75.35
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030829359	1	47	0.0	-76.74	386.03	1.39	-75.35
O=C(C[N@@H+]1CC2CCC1C2)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030829367	0	48	0.0	-71.99	374.09	1.83	-70.16
O=C(C[N@H+]1CC2CCC1C2)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030829367	1	48	0.0	-71.99	374.09	1.83	-70.16
CC(C)[NH+]1CCC(CC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300030829381	0	56	0.0	-66.39	416.01	4.04	-62.35
CC(C[NH+](C)C)C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030829395	0	46	0.0	-67.53	355.52	1.75	-65.78
CCN1CCC1C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030829447	0	44	0.0	-66.96	345.65	1.39	-65.57
CC[N@@H+]1CCC1C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030829447	1	44	0.0	-73.25	358.71	0.67	-72.58
CC[N@H+]1CCC1C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030829447	1	44	0.0	-73.25	358.71	0.67	-72.58
CC(C)[N@@H+]1CCCC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030829460	0	53	0.0	-68.82	405.77	2.43	-66.39
CC(C)[N@H+]1CCCC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030829460	1	53	0.0	-68.82	405.77	2.43	-66.39
CCC(C)(C)[NH2+]C(C)C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030829478	0	52	0.0	-66.21	386.21	1.28	-64.93
C#CCN1CCCCC1C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030829528	0	49	0.0	-61.39	376.81	3.04	-58.35
C#CC[N@H+]1CCCCC1C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030829528	1	49	0.0	-65.69	386.84	3.39	-62.30
C#CC[N@@H+]1CCCCC1C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030829528	1	49	0.0	-65.69	386.84	3.39	-62.30
CNC1=NC(C)=CC=C1C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030829531	0	46	0.0	-61.64	373.77	1.27	-60.37
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030829531	1	46	0.0	-61.64	373.77	1.27	-60.37
CCCC(C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300030829544	0	49	0.0	-65.83	370.39	2.33	-63.50
CC(CC[NH+](C)C)C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030829572	0	49	0.0	-68.71	382.12	2.43	-66.28
O=C(NC1C2OCCN(C(=O)[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C12)C1=CC(=O)[N-]O1	REAL300030829630	0	54	0.0	-68.84	394.47	3.92	-64.92
O=C(NC1C2OCCN(C(=O)[C@@H]3CCC[N@H+]4CCCC[C@H]34)C12)C1=CC(=O)[N-]O1	REAL300030829630	1	54	0.0	-68.84	394.47	3.92	-64.92
COCCCC[N@H+](C)CCC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030829707	0	56	0.0	-80.55	444.25	1.58	-78.97
COCCCC[N@@H+](C)CCC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030829707	1	56	0.0	-80.55	444.25	1.58	-78.97
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030829717	0	50	0.0	-73.40	384.99	1.39	-72.01
C[NH+](C)CCCCCC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030829723	0	52	0.0	-70.56	409.01	3.63	-66.93
O=C(CC[NH+]1CCC(O)CC1)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030829728	0	51	0.0	-78.86	402.16	-1.16	-80.02
CCC[N@@H+]1CCCCC1C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030829733	0	53	0.0	-66.87	390.34	3.16	-63.71
CCC[N@H+]1CCCCC1C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030829733	1	53	0.0	-66.87	390.34	3.16	-63.71
CC[NH+]1CCN(CCC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300030829742	0	55	0.0	-71.31	420.74	1.38	-69.93
CCN1CC[NH+](CCC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300030829742	1	55	0.0	-71.31	420.74	1.38	-69.93
CN1CCN(CC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300030829746	0	49	0.0	-67.64	381.60	0.27	-67.37
C[NH+]1CCN(CC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300030829746	1	49	0.0	-67.64	381.60	0.27	-67.37
CC(C)C[NH+]1CCC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300030829870	0	56	0.0	-81.78	419.27	4.16	-77.62
CC1C[N@H+](C)CC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)O1	REAL300030829873	1	48	0.0	-65.01	369.32	1.34	-63.67
CC1C[N@@H+](C)CC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)O1	REAL300030829873	1	48	0.0	-84.44	374.18	0.29	-84.15
CCC1CCC[N@H+](CC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030829909	0	53	0.0	-71.13	400.96	2.40	-68.73
CCC1CCC[N@@H+](CC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030829909	1	53	0.0	-59.80	403.58	3.89	-55.91
C[NH+](C)CC1=CC=C(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)N1	REAL300030829919	0	48	0.0	-66.72	385.06	2.33	-64.39
O=C(C[NH+]1CC2CC2C1)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030829941	0	45	0.0	-73.98	362.00	1.56	-72.42
O=C(CC1([NH+]2CCCC2)CC1)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030829959	0	51	0.0	-59.85	387.63	3.57	-56.28
CC([NH2+]C1(CO)CCCC1)C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030829976	0	54	0.0	-72.36	406.02	-2.46	-74.82
C[N@@H+]1CCCCC1C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030830005	0	47	0.0	-68.30	351.19	1.77	-66.53
C[N@H+]1CCCCC1C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030830005	1	47	0.0	-61.98	362.69	2.35	-59.63
O=C(NC1C2OCCN(C(=O)C3CC[N@@H+]3CC3=CC=CC=C3)C12)C1=CC(=O)[N-]O1	REAL300030830011	1	51	0.0	-57.11	405.61	4.42	-52.69
O=C(NC1C2OCCN(C(=O)C3CC[N@H+]3CC3=CC=CC=C3)C12)C1=CC(=O)[N-]O1	REAL300030830011	1	51	0.0	-73.72	407.74	3.20	-70.52
CC(C)C[N@@H+]1CCCC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030830018	0	56	0.0	-71.90	420.55	4.27	-67.63
CC(C)C[N@H+]1CCCC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030830018	1	56	0.0	-68.95	428.50	3.37	-65.58
C[NH+](C)C1CCN(CC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300030830073	0	55	0.0	-68.62	415.91	1.48	-67.14
C[N@@H+]1CCC(=CC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030830138	0	45	0.0	-80.88	359.09	2.27	-78.61
C[N@H+]1CCC(=CC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030830138	1	45	0.0	-80.64	359.91	2.24	-78.40
O=C(CNC1=CC=[NH+]C=C1)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030830145	0	43	0.0	-67.97	357.85	-0.06	-68.03
CC[NH+]1CCN(CC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300030830207	0	52	0.0	-69.56	398.97	0.85	-68.71
O=C(C=C1C[NH+]2CCC1CC2)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030830208	0	49	0.0	-68.29	383.02	2.15	-66.14
C[N@H+](CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[C@@H]1CCC[C@H]1O	REAL300030830267	0	51	0.0	-58.30	393.61	-0.01	-58.31
C[N@@H+](CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[C@@H]1CCC[C@H]1O	REAL300030830267	1	51	0.0	-57.53	393.15	0.18	-57.35
O=C(NC1C2OCCN(C(=O)C3C[NH+](C4CCOCC4)C3)C12)C1=CC(=O)[N-]O1	REAL300030830276	0	52	0.0	-75.19	404.52	1.62	-73.57
C[N@@H+]1CCC[C@H]1C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030830291	0	44	0.0	-74.26	347.04	1.54	-72.72
C[N@H+]1CCC[C@H]1C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030830291	1	44	0.0	-53.00	341.15	1.31	-51.69
CCN1CCOCC1CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030830329	0	51	0.0	-77.37	391.23	0.09	-77.28
CC[N@@H+]1CCOCC1CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030830329	1	51	0.0	-66.00	390.71	1.27	-64.73
CC[N@H+]1CCOCC1CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030830329	1	51	0.0	-66.00	390.71	1.27	-64.73
O=C(NC1C2OCCN(C(=O)C3C[NH+](C4CCCCC4)C3)C12)C1=CC(=O)[N-]O1	REAL300030830355	0	54	0.0	-61.15	414.26	4.13	-57.02
NC1=NC2=CC(C(=O)N3CCOC4C(NC(=O)C5=CC(=O)[N-]O5)C43)=CC=C2N1	REAL300030830431	0	44	0.0	-70.53	362.65	1.56	-68.97
NC1=[NH+]C2=CC(C(=O)N3CCOC4C(NC(=O)C5=CC(=O)[N-]O5)C43)=CC=C2N1	REAL300030830431	1	44	0.0	-70.53	362.65	1.56	-68.97
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030830476	0	47	0.0	-67.18	371.47	2.40	-64.78
CC1CCCC(C)[NH+]1CCC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030830488	0	56	0.0	-67.13	412.53	3.85	-63.28
C[NH+](C)C1CCC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300030830491	0	53	0.0	-67.58	390.13	3.04	-64.54
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300030830495	0	53	0.0	-53.51	388.86	2.98	-50.53
C[N@@H+]1CC=CCC1CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030830496	0	48	0.0	-78.82	378.62	1.83	-76.99
C[N@H+]1CC=CCC1CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030830496	1	48	0.0	-68.82	373.64	1.79	-67.03
CC1=CC(C=CC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=C[NH+]=C1N	REAL300030830558	1	47	0.0	-81.01	386.23	1.69	-79.32
C[NH+](C)CCOCC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030830573	0	47	0.0	-70.09	377.84	1.78	-68.31
CCCCC[N@H+](C)CCC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030830580	0	55	0.0	-72.11	426.72	4.25	-67.86
CCCCC[N@@H+](C)CCC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030830580	1	55	0.0	-77.60	432.07	3.29	-74.31
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)O1	REAL300030830592	0	51	0.0	-69.05	397.12	2.53	-66.52
[NH2+]=C1SC=CN1CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030830618	0	40	0.0	-67.85	354.54	-0.10	-67.95
C[C@@H](OCC[NH+](C)C)C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030830697	0	50	0.0	-70.46	399.40	1.24	-69.22
O=C(CC[NH+]1CCCCCC1)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030830755	0	53	0.0	-65.42	396.60	3.45	-61.97
O=C(C[NH+]1CCCCC1)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030830759	0	47	0.0	-73.73	369.31	1.60	-72.13
C[N@@H+]1CCCC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030830761	0	47	0.0	-62.18	356.84	2.07	-60.11
C[N@H+]1CCCC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030830761	1	47	0.0	-60.07	353.23	2.22	-57.85
O=C(C[NH+]1CCC(CO)CC1)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030830763	0	51	0.0	-77.83	401.28	-1.10	-78.93
O=C(C[NH+]1CCCCCC1)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030830769	0	50	0.0	-69.55	373.21	2.74	-66.81
CN1C=C[N+](CC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=C1	REAL300030830776	0	42	0.0	-71.59	358.67	3.23	-68.36
C[NH+](C)CC1=CC=C(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)O1	REAL300030830794	1	47	0.0	-72.50	388.72	1.65	-70.85
C[NH+](C)CC1=CC=C(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C=N1	REAL300030830802	0	49	0.0	-78.03	392.43	1.87	-76.16
O=C(C[NH+]1CCC(O)CC1)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030830816	1	48	0.0	-78.92	380.68	-1.75	-80.67
C[N@H+](CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21)C1CC1	REAL300030830823	0	44	0.0	-70.42	356.78	1.15	-69.27
C[N@@H+](CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21)C1CC1	REAL300030830823	1	44	0.0	-71.62	356.92	1.15	-70.47
CC(C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21)N1CC[NH+](C)CC1	REAL300030830825	1	52	0.0	-65.46	392.39	0.43	-65.03
O=C(CC[N@H+]1CCC(F)C1)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030830830	0	47	0.0	-73.61	376.33	2.53	-71.08
O=C(CC[N@@H+]1CCC(F)C1)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030830830	1	47	0.0	-67.64	377.11	2.65	-64.99
CC(CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21)C[NH+](C)C	REAL300030830865	0	49	0.0	-74.28	379.29	2.70	-71.58
O=C(NC1C2OCCN(C(=O)C3CC[N@@H+]4CCOCC34)C12)C1=CC(=O)[N-]O1	REAL300030830885	0	49	0.0	-77.56	383.78	-0.12	-77.68
O=C(NC1C2OCCN(C(=O)C3CC[N@H+]4CCOCC34)C12)C1=CC(=O)[N-]O1	REAL300030830885	1	49	0.0	-63.14	373.46	0.91	-62.23
CC1=[NH+]C=C2C=CC(C(=O)N3CCOC4C(NC(=O)C5=CC(=O)[N-]O5)C43)=CN21	REAL300030830893	0	45	0.0	-69.98	370.55	3.63	-66.35
C[N@@H+]1CCOCC1CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030830914	1	48	0.0	-68.89	365.26	0.39	-68.50
C[N@H+]1CCOCC1CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030830914	1	48	0.0	-52.56	365.72	0.50	-52.06
CC[NH+]1CCN(CC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300030830925	0	52	0.0	-69.56	398.97	0.85	-68.71
CC1=CC(N)=[NH+]C=C1C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030830979	1	43	0.0	-72.13	358.87	-1.03	-73.16
NC1=CC=C(CCC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C=[NH+]1	REAL300030830982	0	46	0.0	-68.08	381.15	1.23	-66.85
CC1(O)CC[N@H+](CC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030831036	0	48	0.0	-72.88	383.52	-1.84	-74.72
CC1(O)CC[N@@H+](CC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030831036	1	48	0.0	-68.61	378.10	-0.92	-69.53
C[NH+](C)CCN1N=CC=C1C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030831046	0	50	0.0	-67.24	403.59	0.91	-66.33
C[NH+]1CC(CC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030831077	0	44	0.0	-69.54	353.58	1.54	-68.00
O=C(NC1C2OCCN(C(=O)C3CC[N@@H+]3C3CCCC3)C12)C1=CC(=O)[N-]O1	REAL300030831083	0	51	0.0	-66.93	386.58	3.10	-63.83
O=C(NC1C2OCCN(C(=O)C3CC[N@H+]3C3CCCC3)C12)C1=CC(=O)[N-]O1	REAL300030831083	1	51	0.0	-72.39	391.95	2.15	-70.24
C[NH+](C)CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030831093	0	40	0.0	-70.35	322.13	0.66	-69.69
C[N@H+](CCO)CCC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030831134	0	47	0.0	-75.04	377.96	-2.22	-77.26
C[N@@H+](CCO)CCC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030831134	1	47	0.0	-69.81	372.43	-1.31	-71.12
C[C@@H](C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300030831135	0	43	0.0	-72.43	343.15	0.08	-72.35
C[N@@H+]1CCCCC1CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030831155	0	50	0.0	-76.73	386.48	1.96	-74.77
C[N@H+]1CCCCC1CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030831155	1	50	0.0	-71.50	381.19	2.88	-68.62
CC1=C2C=C(C(=O)N3CCOC4C(NC(=O)C5=CC(=O)[N-]O5)C43)C=CN2C=[NH+]1	REAL300030831181	1	45	0.0	-74.04	370.49	4.37	-69.67
CC(C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+]1CC(C)C1	REAL300030831182	1	47	0.0	-71.41	370.75	1.15	-70.26
CC1CC[N@@H+]1CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030831187	1	44	0.0	-71.24	353.21	0.52	-70.72
CC1CC[N@H+]1CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030831187	1	44	0.0	-60.87	353.91	1.85	-59.02
C[NH+](C)CC=CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030831202	0	44	0.0	-82.61	357.02	1.92	-80.69
CC1(C)C[NH+](CC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C1	REAL300030831216	1	47	0.0	-59.90	372.98	2.36	-57.54
O=C(CCCC[NH+]1CCCCC1)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030831230	0	56	0.0	-75.26	434.06	3.77	-71.49
CC1=C(C)[NH+]=C(CCC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)N1	REAL300030831243	1	48	0.0	-64.29	392.36	2.01	-62.28
C[NH+]1CCC(C2(C(=O)N3CCOC4C(NC(=O)C5=CC(=O)[N-]O5)C43)CC2)CC1	REAL300030831253	0	54	0.0	-74.83	413.67	2.77	-72.06
CC1=C2C=C(C(=O)N3CCOC4C(NC(=O)C5=CC(=O)[N-]O5)C43)C=CN2C=[NH+]1	REAL300030831262	1	45	0.0	-74.04	370.49	4.37	-69.67
C[NH+](C)CCSCC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030831272	0	47	0.0	-73.30	389.04	2.67	-70.63
NC1=[NH+]C2=C(C=C1C(=O)N1CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C31)CCCC2	REAL300030831294	1	50	0.0	-58.04	396.28	2.09	-55.95
O=C(C[N@H+]1CCCC1CO)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030831302	0	48	0.0	-73.00	381.63	-1.79	-74.79
O=C(C[N@@H+]1CCCC1CO)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030831302	1	48	0.0	-73.66	382.11	-1.61	-75.27
CC[NH+](CC)CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030831305	0	46	0.0	-68.08	357.71	2.00	-66.08
C[N@H+](CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21)C1CCSC1	REAL300030831318	0	48	0.0	-78.12	386.95	1.96	-76.16
C[N@@H+](CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21)C1CCSC1	REAL300030831318	1	48	0.0	-79.16	386.73	1.97	-77.19
O=C(C[NH+]1CCC1)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030831320	1	41	0.0	-74.00	337.58	0.16	-73.84
CC[NH+](CC)CCC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030831365	0	49	0.0	-69.60	380.03	2.62	-66.98
NC(=O)C1CC[NH+](CC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300030831387	0	51	0.0	-83.09	405.17	-1.73	-84.82
C[NH+](C)CC1=CNC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=C1	REAL300030831433	0	48	0.0	-72.45	385.61	2.26	-70.19
CC(C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+]1CCC(O)CC1	REAL300030831453	0	51	0.0	-75.16	389.19	-1.69	-76.85
O=C(NC1C2OCCN(C(=O)C3CC4COCC[N@@H+]4C3)C12)C1=CC(=O)[N-]O1	REAL300030831459	0	49	0.0	-59.70	377.51	0.97	-58.73
O=C(NC1C2OCCN(C(=O)C3CC4COCC[N@H+]4C3)C12)C1=CC(=O)[N-]O1	REAL300030831459	1	49	0.0	-70.64	377.51	0.83	-69.81
CC(C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+]1CCC1	REAL300030831475	1	44	0.0	-52.32	340.69	1.31	-51.01
CCC(CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21)C[NH+](C)C	REAL300030831485	0	52	0.0	-70.62	393.25	3.21	-67.41
NC1=CC=C(C=CC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C=[NH+]1	REAL300030831492	0	44	0.0	-82.02	368.42	0.94	-81.08
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030831557	0	47	0.0	-63.74	351.28	1.85	-61.89
C[N@H+]1CCCC[C@@H]1C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030831557	1	47	0.0	-66.93	362.32	2.23	-64.70
CC1CN2CC[N@@H+]1CC2C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030831571	0	50	0.0	-73.10	371.52	-0.73	-73.83
CC1CN2CC[N@H+]1CC2C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030831571	1	50	0.0	-72.66	371.50	-0.72	-73.38
C[NH+](C)CC(O)CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030831596	0	47	0.0	-73.61	374.76	-0.26	-73.87
C[NH+]1C2CCC1CC(C(=O)N1CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C31)C2	REAL300030831599	0	51	0.0	-68.97	372.50	1.44	-67.53
C=CCC(C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21)[NH+](C)C	REAL300030831645	0	47	0.0	-64.21	361.76	2.05	-62.16
O=C(NC1C2OCCN(C(=O)C3CC4CCCC[N@@H+]4C3)C12)C1=CC(=O)[N-]O1	REAL300030831655	0	51	0.0	-72.67	392.21	2.27	-70.40
O=C(NC1C2OCCN(C(=O)C3CC4CCCC[N@H+]4C3)C12)C1=CC(=O)[N-]O1	REAL300030831655	1	51	0.0	-64.22	394.18	2.40	-61.82
C[NH+]1CCC(O)(CC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)CC1	REAL300030831671	0	51	0.0	-62.40	393.20	1.12	-61.28
COCC[N@@H+]1CCCC1CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030831686	0	54	0.0	-76.11	416.19	1.11	-75.00
COCC[N@H+]1CCCC1CC(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030831686	1	54	0.0	-62.96	414.14	1.87	-61.09
C[NH+]1C2CCC1CC(CC(=O)N1CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C31)C2	REAL300030831695	0	54	0.0	-65.99	387.89	3.16	-62.83
C[NH+](C)CCN1N=CC=C1C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030831727	0	50	0.0	-61.77	403.99	1.08	-60.69
C[NH+]1CCC(C2(C(=O)NC3C4OCCN(C(=O)C5=CC(=O)[N-]O5)C34)CC2)CC1	REAL300030831766	0	54	0.0	-63.44	405.85	4.18	-59.26
CC1=C2C=C(C(=O)NC3C4OCCN(C(=O)C5=CC(=O)[N-]O5)C34)C=CN2C=[NH+]1	REAL300030831777	1	45	0.0	-78.33	372.16	4.74	-73.59
C[NH+](C)CCSCC(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030831786	0	47	0.0	-71.90	385.90	2.52	-69.38
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1CC2COCC[N@@H+]2C1	REAL300030831796	0	49	0.0	-72.24	372.86	0.79	-71.45
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1CC2COCC[N@H+]2C1	REAL300030831796	1	49	0.0	-60.50	382.94	0.00	-60.50
C[N@@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030831959	0	53	0.0	-60.75	377.95	2.31	-58.44
C[N@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030831959	1	53	0.0	-60.79	378.19	2.34	-58.45
C[N@@H+]1CCOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)C1	REAL300030831983	1	54	0.0	-84.26	399.58	2.18	-82.08
C[N@H+]1CCOC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)C1	REAL300030831983	1	54	0.0	-56.44	387.91	2.10	-54.34
CC1=[NH+]C=CN1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832123	1	51	0.0	-61.76	387.06	3.42	-58.34
C[C@@H]1[C@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)CC[N@@H+]1C	REAL300030832143	0	56	0.0	-79.12	398.78	2.71	-76.41
C[C@@H]1[C@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)CC[N@H+]1C	REAL300030832143	1	56	0.0	-71.80	404.29	3.23	-68.57
C[NH+](C)C1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)CCC1	REAL300030832164	0	56	0.0	-74.27	390.40	3.09	-71.18
CC(C)[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)[NH+](C)C	REAL300030832166	0	58	0.0	-60.83	403.05	3.36	-57.47
C[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)C1CCC1	REAL300030832177	0	56	0.0	-70.14	408.38	3.71	-66.43
C[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)C1CCC1	REAL300030832177	1	56	0.0	-71.29	408.45	3.72	-67.57
C[NH+]1CCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)CC1	REAL300030832204	0	56	0.0	-79.38	406.80	3.39	-75.99
C[N@@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832211	0	56	0.0	-71.47	404.17	3.33	-68.14
C[N@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832211	1	56	0.0	-69.32	394.95	3.12	-66.20
CC1=C[NH+]=CN1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832229	1	51	0.0	-73.36	390.93	4.02	-69.34
C[N@@H+]1CCC(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)C1	REAL300030832239	0	56	0.0	-77.07	408.75	3.33	-73.74
C[N@H+]1CCC(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)C1	REAL300030832239	1	56	0.0	-74.15	408.46	3.32	-70.83
CCC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)[NH+](C)C	REAL300030832242	0	55	0.0	-68.70	390.67	2.86	-65.84
C[NH+](C)CCCCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832257	0	58	0.0	-70.84	423.49	3.93	-66.91
CC(C)C(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)[NH+](C)C	REAL300030832262	0	58	0.0	-60.20	403.82	3.77	-56.43
CCC[N@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832263	0	58	0.0	-75.33	423.88	3.67	-71.66
CCC[N@@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832263	1	58	0.0	-75.45	423.93	3.65	-71.80
CCC[N@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832264	0	55	0.0	-72.80	401.51	3.14	-69.66
CCC[N@@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832264	1	55	0.0	-73.00	401.45	3.14	-69.86
C[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832279	0	53	0.0	-60.76	377.58	2.35	-58.41
C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832279	1	53	0.0	-63.06	382.72	2.88	-60.18
CC[NH+](CC)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832291	0	55	0.0	-71.06	393.72	2.77	-68.29
C[NH+](C)CC1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)CC1	REAL300030832346	0	56	0.0	-81.27	414.05	3.48	-77.79
C[NH+]1CCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)CC1	REAL300030832372	0	56	0.0	-79.38	406.80	3.39	-75.99
CC(C)[C@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)[NH+](C)C	REAL300030832387	0	58	0.0	-68.33	403.66	3.37	-64.96
CC[N@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832422	0	55	0.0	-74.57	402.43	2.91	-71.66
CC[N@@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832422	1	55	0.0	-74.67	402.38	2.91	-71.76
CC1CCC[N@@H+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832433	0	56	0.0	-69.54	400.94	3.09	-66.45
CC1CCC[N@H+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832433	1	56	0.0	-70.18	407.66	3.49	-66.69
CC1CC[N@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)C1	REAL300030832434	0	56	0.0	-72.27	408.35	3.44	-68.83
CC1CC[N@@H+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)C1	REAL300030832434	1	56	0.0	-72.33	408.15	3.49	-68.84
CC[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)[NH+](C)C	REAL300030832437	0	55	0.0	-69.09	396.57	3.29	-65.80
C[NH+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832476	0	49	0.0	-67.13	358.13	1.79	-65.34
CN1C=C[N+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)=C1	REAL300030832477	0	51	0.0	-62.58	388.86	5.32	-57.26
C[N@@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)C1	REAL300030832480	0	56	0.0	-66.90	400.60	3.54	-63.36
C[N@H+]1CCCC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)C1	REAL300030832480	1	56	0.0	-69.64	402.64	3.43	-66.21
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)[NH+]1CCC1	REAL300030832488	1	53	0.0	-63.75	386.30	2.87	-60.88
C[NH+](C)CC(C)(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832491	0	58	0.0	-72.82	412.71	3.48	-69.34
C[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)C1CC1	REAL300030832498	0	53	0.0	-70.04	391.60	3.10	-66.94
C[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)C1CC1	REAL300030832498	1	53	0.0	-63.87	387.53	3.20	-60.67
C[NH+]1CC(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)C1	REAL300030832509	0	53	0.0	-65.54	389.57	2.62	-62.92
C[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)[NH+](C)C	REAL300030832522	0	52	0.0	-62.57	376.02	2.21	-60.36
C[N@H+](CCO)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832562	0	56	0.0	-74.95	412.78	-0.31	-75.26
C[N@@H+](CCO)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832562	1	56	0.0	-73.17	412.53	-0.28	-73.45
C[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)[NH+](C)C	REAL300030832563	0	52	0.0	-62.57	376.02	2.21	-60.36
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832566	0	56	0.0	-71.99	394.98	3.13	-68.86
C[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832566	1	56	0.0	-67.17	404.14	3.33	-63.84
O=C(C[NH+]1CCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832593	1	50	0.0	-73.39	372.61	2.18	-71.21
C[N@@H+]1CCC(=CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)C1	REAL300030832603	0	54	0.0	-71.80	396.48	3.34	-68.46
C[N@H+]1CCC(=CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)C1	REAL300030832603	1	54	0.0	-70.24	396.47	3.35	-66.89
C[NH+](C)CCOCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832613	0	56	0.0	-70.25	413.81	2.84	-67.41
C[C@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)[NH+](C)C	REAL300030832624	0	52	0.0	-69.58	380.20	2.13	-67.45
CC1C[NH+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)C1	REAL300030832641	1	53	0.0	-73.42	392.23	2.89	-70.53
C[N@H+](CCO)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832654	1	53	0.0	-74.48	390.30	-0.84	-75.32
C[N@@H+](CCO)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832654	1	53	0.0	-72.67	390.07	-0.83	-73.50
CC(CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)C[NH+](C)C	REAL300030832666	0	58	0.0	-70.67	415.31	3.79	-66.88
CC[N@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832668	0	52	0.0	-72.43	379.95	2.40	-70.03
CC[N@@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832668	1	52	0.0	-66.49	375.36	2.48	-64.01
CC[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)C1CC1	REAL300030832678	0	56	0.0	-69.67	410.93	3.72	-65.95
CC[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)C1CC1	REAL300030832678	1	56	0.0	-71.44	405.27	3.47	-67.97
CC[NH+](CC)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832684	0	58	0.0	-73.62	419.96	3.61	-70.01
CC1(C)C[NH+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)C1	REAL300030832692	1	56	0.0	-66.75	408.71	3.41	-63.34
C[NH+](C)CC=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832700	0	53	0.0	-78.58	399.54	2.94	-75.64
COCC[N@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832709	1	56	0.0	-65.16	407.91	1.66	-63.50
COCC[N@@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832709	1	56	0.0	-74.97	412.62	1.56	-73.41
CC(CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)[NH+](C)C	REAL300030832719	0	58	0.0	-73.50	411.77	3.52	-69.98
CC[N@@H+]1CCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832724	1	53	0.0	-70.34	387.17	2.43	-67.91
CC[N@H+]1CCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832724	1	53	0.0	-72.14	386.16	2.36	-69.78
C=CCC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)[NH+](C)C	REAL300030832749	0	56	0.0	-70.47	409.31	3.36	-67.11
O=C(C[NH+]1CC2CC2C1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832757	0	54	0.0	-66.42	392.96	3.69	-62.73
CCCC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)[NH+](C)C	REAL300030832766	0	58	0.0	-74.67	416.40	3.64	-71.03
C[NH+](C)C(C)(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832768	0	55	0.0	-80.38	389.80	2.87	-77.51
C[N@@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832779	0	56	0.0	-71.47	404.17	3.33	-68.14
C[N@H+]1CCCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832779	1	56	0.0	-69.32	394.95	3.12	-66.20
C[NH+](C)C1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)CC1	REAL300030832817	0	53	0.0	-75.26	389.26	2.41	-72.85
O=C(CC[NH+]1CCCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832818	0	56	0.0	-74.01	410.62	3.44	-70.57
C[N@@H+]1CC2CC1(C(=O)NC1CN(C(=O)C3=CC(=O)[N-]O3)C3(C1)CCOCC3)C2	REAL300030832829	0	54	0.0	-73.21	389.90	3.00	-70.21
C[N@H+]1CC2CC1(C(=O)NC1CN(C(=O)C3=CC(=O)[N-]O3)C3(C1)CCOCC3)C2	REAL300030832829	1	54	0.0	-71.30	387.76	3.17	-68.13
CC(C[NH+](C)C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832865	0	55	0.0	-69.52	396.53	3.06	-66.46
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)[NH+]1CC(C)C1	REAL300030832888	1	56	0.0	-65.93	405.66	3.51	-62.42
CC1CC[N@@H+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832889	1	53	0.0	-64.17	383.42	2.63	-61.54
CC1CC[N@H+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832889	1	53	0.0	-72.33	393.58	2.82	-69.51
C[NH+](C)CC(O)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832891	0	56	0.0	-71.85	410.74	0.83	-71.02
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)C1	REAL300030832921	0	56	0.0	-62.67	407.69	3.51	-59.16
CC(CC[NH+](C)C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832922	0	58	0.0	-69.99	418.16	3.69	-66.30
NC(=[NH2+])SCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832943	0	47	0.0	-69.83	366.65	-1.34	-71.17
CCC1C[NH+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)C1	REAL300030833005	1	56	0.0	-67.21	410.79	3.65	-63.56
C[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030833009	0	53	0.0	-63.39	383.81	2.83	-60.56
C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030833009	1	53	0.0	-60.75	378.18	2.32	-58.43
O=C(C[NH+]1CCCCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030833016	0	56	0.0	-72.91	403.88	3.60	-69.31
CC1C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)CC[N@@H+]1C	REAL300030833020	0	56	0.0	-75.81	404.26	3.21	-72.60
CC1C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)CC[N@H+]1C	REAL300030833020	1	56	0.0	-78.01	405.15	2.97	-75.04
C[N@@H+]1CCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030833200	0	53	0.0	-66.03	377.55	2.28	-63.75
C[N@H+]1CCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030833200	1	53	0.0	-63.45	381.08	2.21	-61.24
C[N@@H+]1CCC(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)C1	REAL300030833374	0	56	0.0	-66.96	412.07	3.35	-63.61
C[N@H+]1CCC(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)C1	REAL300030833374	1	56	0.0	-66.43	406.90	3.46	-62.97
CCC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)[NH+](C)C	REAL300030833377	0	55	0.0	-60.37	387.36	2.68	-57.69
C[NH+](C)CCCCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030833387	0	58	0.0	-66.06	426.09	4.06	-62.00
CCC[N@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030833393	0	58	0.0	-67.98	426.88	3.78	-64.20
CCC[N@@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030833393	1	58	0.0	-67.85	426.88	3.77	-64.08
CCC[N@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030833394	0	55	0.0	-65.15	399.76	3.20	-61.95
CCC[N@@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030833394	1	55	0.0	-64.43	399.79	3.17	-61.26
C[NH+](C)CC1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)CC1	REAL300030833424	0	56	0.0	-70.02	409.40	3.53	-66.49
CC[N@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030833430	0	55	0.0	-67.24	405.37	3.04	-64.20
CC[N@@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030833430	1	55	0.0	-67.19	405.38	3.05	-64.14
C[NH+]1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)CC1	REAL300030833448	0	56	0.0	-68.97	401.19	3.25	-65.72
CC1CCC[N@@H+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030833493	0	56	0.0	-61.87	406.61	3.58	-58.29
CC1CCC[N@H+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030833493	1	56	0.0	-61.81	399.47	3.19	-58.62
CC1CC[N@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)C1	REAL300030833511	0	56	0.0	-65.17	410.71	3.47	-61.70
CC1CC[N@@H+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)C1	REAL300030833511	1	56	0.0	-64.36	406.25	3.49	-60.87
CC[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)[NH+](C)C	REAL300030833513	0	55	0.0	-65.52	387.39	2.86	-62.66
CC1=[NH+]C=CN1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030833550	1	51	0.0	-62.06	390.33	3.52	-58.54
CC1=C[NH+]=CN1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030833566	1	51	0.0	-61.15	390.96	4.22	-56.93
C[C@@H]1[C@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)CC[N@@H+]1C	REAL300030833567	0	56	0.0	-69.67	394.63	2.77	-66.90
C[C@@H]1[C@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)CC[N@H+]1C	REAL300030833567	1	56	0.0	-60.17	400.05	3.46	-56.71
C[N@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)C1CCC1	REAL300030833592	0	56	0.0	-63.61	406.75	3.77	-59.84
C[N@@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)C1CCC1	REAL300030833592	1	56	0.0	-62.13	406.68	3.75	-58.38
C[NH+]1CCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)CC1	REAL300030833599	0	56	0.0	-68.97	401.19	3.25	-65.72
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030833609	0	53	0.0	-63.50	381.00	2.20	-61.30
C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030833609	1	53	0.0	-62.88	387.69	2.65	-60.23
CC1C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)CC[N@@H+]1C	REAL300030833669	0	56	0.0	-60.43	395.52	3.20	-57.23
CC1C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)CC[N@H+]1C	REAL300030833669	1	56	0.0	-66.41	402.40	3.15	-63.26
C[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)[NH+](C)C	REAL300030833704	0	52	0.0	-63.86	380.40	2.13	-61.73
O=C(CC[NH+]1CCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030833722	0	56	0.0	-65.24	407.48	3.53	-61.71
C[N@H+](CCO)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030833727	1	53	0.0	-63.63	388.64	-0.80	-64.43
C[N@@H+](CCO)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030833727	1	53	0.0	-65.22	388.48	-0.75	-65.97
CC1C[NH+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)C1	REAL300030833774	1	53	0.0	-63.59	391.28	3.02	-60.57
CC[N@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030833801	0	52	0.0	-64.69	378.26	2.46	-62.23
CC[N@@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030833801	1	52	0.0	-64.05	378.29	2.43	-61.62
COCC[N@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030833845	1	56	0.0	-65.67	410.74	1.66	-64.01
COCC[N@@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030833845	1	56	0.0	-63.70	410.89	1.60	-62.10
CC(CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)[NH+](C)C	REAL300030833847	0	58	0.0	-68.49	413.88	3.67	-64.82
CC[N@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)C1CC1	REAL300030833851	0	56	0.0	-61.31	408.63	3.84	-57.47
CC[N@@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)C1CC1	REAL300030833851	1	56	0.0	-63.91	411.16	3.69	-60.22
CC(C[NH+](C)C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030833870	0	55	0.0	-67.63	397.56	3.02	-64.61
C[C@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)[NH+](C)C	REAL300030833883	0	52	0.0	-62.27	372.64	2.11	-60.16
CC[N@@H+]1CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030833886	1	53	0.0	-64.02	388.97	2.33	-61.69
CC[N@H+]1CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030833886	1	53	0.0	-63.73	391.91	2.83	-60.90
NC1=CC=[NH+]C=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030833901	0	49	0.0	-65.42	367.60	-0.16	-65.58
CCCC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)[NH+](C)C	REAL300030833905	0	58	0.0	-60.74	408.86	3.45	-57.29
CC(CC[NH+](C)C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030833915	0	58	0.0	-68.22	419.16	3.61	-64.61
O=C(C[NH+]1CC2CC2C1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030833975	0	54	0.0	-64.65	396.24	3.69	-60.96
C[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030833984	0	56	0.0	-63.44	392.86	2.66	-60.78
C[N@H+]1CCCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030833984	1	56	0.0	-60.61	388.81	2.74	-57.87
C[N@@H+]1CCC(=CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)C1	REAL300030834006	0	54	0.0	-68.55	402.19	3.25	-65.30
C[N@H+]1CCC(=CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)C1	REAL300030834006	1	54	0.0	-67.60	397.52	3.38	-64.22
C[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030834025	0	53	0.0	-62.93	388.29	2.53	-60.40
C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030834025	1	53	0.0	-66.79	376.94	2.31	-64.48
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)C1	REAL300030834065	0	56	0.0	-66.90	414.35	3.50	-63.40
C[NH+](C)CCOCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030834083	0	56	0.0	-62.41	416.60	2.51	-59.90
O=C(C[NH+]1CCCCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030834109	0	56	0.0	-63.71	402.32	3.62	-60.09
C[N@@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)C1	REAL300030834110	0	56	0.0	-65.82	405.38	3.10	-62.72
C[N@H+]1CCCC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)C1	REAL300030834110	1	56	0.0	-62.13	399.19	3.33	-58.80
CN1C=C[N+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)=C1	REAL300030834111	0	51	0.0	-63.29	392.13	5.42	-57.87
C[N@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)C1CC1	REAL300030834120	0	53	0.0	-62.25	389.38	3.21	-59.04
C[N@@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)C1CC1	REAL300030834120	1	53	0.0	-64.65	394.37	3.11	-61.54
CC(CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)C[NH+](C)C	REAL300030834128	0	58	0.0	-65.15	417.54	3.85	-61.30
C[NH+]1CC(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)C1	REAL300030834170	0	53	0.0	-64.03	392.10	2.72	-61.31
C[NH+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030834177	0	49	0.0	-66.03	360.12	1.80	-64.23
C[N@H+](CCO)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030834187	0	56	0.0	-67.05	415.73	-0.18	-67.23
C[N@@H+](CCO)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030834187	1	56	0.0	-66.93	415.52	-0.15	-67.08
C[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)[NH+](C)C	REAL300030834188	0	52	0.0	-63.86	380.40	2.13	-61.73
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)[NH+]1CC(C)C1	REAL300030834198	0	56	0.0	-63.63	408.18	3.37	-60.26
CC1CC[N@@H+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030834199	1	53	0.0	-64.49	396.70	2.87	-61.62
CC1CC[N@H+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030834199	1	53	0.0	-64.38	396.77	2.87	-61.51
C[NH+](C)CC=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030834200	0	53	0.0	-68.58	395.60	3.10	-65.48
CC1(C)C[NH+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)C1	REAL300030834203	1	56	0.0	-64.90	411.30	3.44	-61.46
CC[NH+](CC)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030834220	0	55	0.0	-62.48	395.16	3.16	-59.32
O=C(C[NH+]1CCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030834225	1	50	0.0	-64.80	371.04	2.37	-62.43
CC[NH+](CC)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030834241	0	58	0.0	-65.05	418.09	3.86	-61.19
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)[NH+]1CCC1	REAL300030834265	1	53	0.0	-64.12	387.19	2.74	-61.38
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030834284	0	56	0.0	-66.83	392.24	2.95	-63.88
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030834284	1	56	0.0	-62.78	404.37	3.27	-59.51
C[NH+](C)CC(O)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030834291	0	56	0.0	-68.27	413.34	0.59	-67.68
C=CCC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)[NH+](C)C	REAL300030834303	0	56	0.0	-60.76	400.93	3.21	-57.55
C[N@@H+]1CCCC1C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030834496	0	48	0.0	-62.07	366.55	3.51	-58.56
C[N@H+]1CCCC1C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030834496	1	48	0.0	-60.42	360.25	3.04	-57.38
C[N@@H+]1CCOC(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030834520	1	49	0.0	-54.36	371.10	2.86	-51.50
C[N@H+]1CCOC(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030834520	1	49	0.0	-78.37	370.31	2.76	-75.61
CC(C)C1=[NH+]C=CN1CCC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030834704	1	55	0.0	-63.04	425.15	5.63	-57.41
CC(C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300030834711	0	57	0.0	-61.09	409.65	4.94	-56.15
CC(C)[N@@H+]1CCCCC1C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030834713	0	57	0.0	-61.44	407.62	5.14	-56.30
CC(C)[N@H+]1CCCCC1C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030834713	1	57	0.0	-61.94	413.30	5.09	-56.85
CC(C)[N@@H+]1CCCC1C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030834747	0	54	0.0	-60.08	399.62	4.73	-55.35
CC(C)[N@H+]1CCCC1C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030834747	1	54	0.0	-59.50	392.40	4.71	-54.79
C[C@@]1(CNC(=O)C2CC3CCCC[N@@H+]3C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030834773	0	55	0.0	-64.88	408.35	5.27	-59.61
C[C@@]1(CNC(=O)C2CC3CCCC[N@H+]3C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030834773	1	55	0.0	-60.53	407.58	5.23	-55.30
CC(C)C1=[NH+]C=CN1CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030834806	1	52	0.0	-63.37	405.54	5.24	-58.13
CC1=[NH+]C=CN1CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030834860	1	46	0.0	-64.76	368.51	4.08	-60.68
CC(C[NH+]1CCOCC1)C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030834862	0	55	0.0	-69.59	411.33	3.22	-66.37
C[C@@]1(CNC(=O)CCC[NH+]2CCCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030834884	0	57	0.0	-68.72	425.60	5.73	-62.99
CC(C)(C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300030834911	0	57	0.0	-48.99	394.99	6.01	-42.98
C[C@@]1(CNC(=O)C2C[NH+]3CCC2CC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030834930	0	52	0.0	-61.62	381.72	4.35	-57.27
C[C@@]1(CNC(=O)C2CCCC3CCC[N@@H+]32)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030834988	0	55	0.0	-59.57	404.91	5.40	-54.17
C[C@@]1(CNC(=O)C2CCCC3CCC[N@H+]32)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030834988	1	55	0.0	-57.96	405.10	5.41	-52.55
C[NH+](C)CCN1C=C(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C=N1	REAL300030834990	0	54	0.0	-78.45	424.98	4.07	-74.38
C[NH+](C)CCN1C=CC(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)=N1	REAL300030835005	0	54	0.0	-82.95	424.71	3.98	-78.97
C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030835012	0	51	0.0	-62.94	378.14	3.93	-59.01
C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030835012	1	51	0.0	-63.68	383.76	3.80	-59.88
CCC1=[NH+]C=CN1C(C)CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030835015	1	55	0.0	-62.85	425.97	5.69	-57.16
CC[C@@H]1[C@@H](C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030835018	0	54	0.0	-66.11	397.21	4.18	-61.93
CC[C@@H]1[C@@H](C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030835018	1	54	0.0	-64.67	402.26	4.58	-60.09
CC[N@@H+]1CCOC(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030835044	1	52	0.0	-55.34	388.15	3.44	-51.90
CC[N@H+]1CCOC(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030835044	1	52	0.0	-74.91	388.79	3.52	-71.39
CC[NH+](CC)CC(F)C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030835104	0	53	0.0	-73.31	398.14	4.10	-69.21
C[NH+](C)CC1=C(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)SC=C1	REAL300030835105	0	51	0.0	-57.37	405.84	5.09	-52.28
CC1CCC(C)[NH+]1CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030835210	0	54	0.0	-60.91	397.68	4.56	-56.35
C[C@@]1(CNC(=O)CCC[NH+]2CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030835217	0	54	0.0	-68.93	409.94	5.04	-63.89
C[NH+](C)CC1=CC=CC(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300030835218	0	54	0.0	-72.47	417.90	5.95	-66.52
C#CC[NH+]1CCC(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030835225	0	53	0.0	-70.29	409.83	5.37	-64.92
C[C@@]1(CNC(=O)CC[NH+]2CCCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030835226	0	54	0.0	-67.19	403.65	4.91	-62.28
C[NH+](C)CC1=CC=CC=C1C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030835230	0	54	0.0	-62.09	411.51	6.28	-55.81
CC[N@@H+]1CCCCC1C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030835239	0	54	0.0	-63.91	390.95	4.64	-59.27
CC[N@H+]1CCCCC1C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030835239	1	54	0.0	-64.67	400.04	4.70	-59.97
CC(C)C(C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCC1	REAL300030835240	0	60	0.0	-60.37	420.15	5.56	-54.81
C[NH+](C)C(C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030835243	1	54	0.0	-67.93	415.34	6.07	-61.86
CC(C)C[N@@H+]1CCC(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030835269	0	57	0.0	-68.47	424.97	5.45	-63.02
CC(C)C[N@H+]1CCC(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030835269	1	57	0.0	-65.98	424.90	5.44	-60.54
C[NH+](C)C1(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300030835273	0	51	0.0	-55.55	363.61	5.01	-50.54
C[NH+](C)C(CN1C=CC=N1)C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030835275	1	54	0.0	-63.47	413.27	3.92	-59.55
CC(C)[N@@H+]1CCCC1CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030835280	0	57	0.0	-62.44	409.36	5.02	-57.42
CC(C)[N@H+]1CCCC1CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030835280	1	57	0.0	-64.49	418.98	5.19	-59.30
C[C@@]1(CNC(=O)C2CCC[N@@H+]2C2CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030835281	0	58	0.0	-61.71	416.19	5.82	-55.89
C[C@@]1(CNC(=O)C2CCC[N@H+]2C2CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030835281	1	58	0.0	-63.29	425.48	5.84	-57.45
CC(C)[C@@H](C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030835302	0	53	0.0	-52.02	378.37	5.05	-46.97
C[N@H+](CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030835364	0	51	0.0	-65.05	385.83	4.45	-60.60
C[N@@H+](CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030835364	1	51	0.0	-62.01	386.79	4.54	-57.47
CC(C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300030835450	0	57	0.0	-60.96	402.03	4.32	-56.64
CN(CCC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=[NH+]C=C1	REAL300030835529	0	53	0.0	-61.07	415.14	4.22	-56.85
C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030835541	1	50	0.0	-60.78	386.43	4.28	-56.50
C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030835541	1	50	0.0	-60.57	393.27	4.88	-55.69
C[N@@H+]1CCCC1CCC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030835551	0	54	0.0	-68.60	402.38	4.58	-64.02
C[N@H+]1CCCC1CCC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030835551	1	54	0.0	-72.99	403.35	4.83	-68.16
C[C@@]1(CNC(=O)C23CCC[NH+](CCC2)C3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030835564	0	55	0.0	-68.75	398.00	4.80	-63.95
C[C@@]1(CNC(=O)C2CCC3CCCC[N@@H+]32)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030835572	0	55	0.0	-61.58	408.02	5.45	-56.13
C[C@@]1(CNC(=O)C2CCC3CCCC[N@H+]32)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030835572	1	55	0.0	-60.96	407.57	5.44	-55.52
CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030835580	0	58	0.0	-66.86	424.06	3.78	-63.08
C[C@@]1(CNC(=O)CCCC[NH+]2CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030835600	0	57	0.0	-69.16	430.97	5.82	-63.34
C[N@H+](CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300030835603	1	54	0.0	-69.35	416.68	6.08	-63.27
C[N@@H+](CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300030835603	1	54	0.0	-68.75	416.73	6.07	-62.68
C[NH+]1CCC(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030835620	0	51	0.0	-73.00	385.21	4.24	-68.76
C[NH+](C)CC1=CC(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)=NO1	REAL300030835680	1	50	0.0	-77.89	398.74	3.56	-74.33
CC1=C(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300030835682	0	49	0.0	-67.79	384.75	6.44	-61.35
C[N@@H+]1CCCCC1C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030835725	0	51	0.0	-65.92	373.22	3.99	-61.93
C[N@H+]1CCCCC1C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030835725	1	51	0.0	-62.46	372.89	3.92	-58.54
CC(C)C[N@@H+]1CCCC1C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030835756	0	57	0.0	-63.04	424.68	5.68	-57.36
CC(C)C[N@H+]1CCCC1C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030835756	1	57	0.0	-62.34	411.69	5.79	-56.55
C[C@@]1(CNC(=O)C2=CN3C=[NH+]C=C3C=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030835913	0	46	0.0	-68.46	370.83	6.11	-62.35
CC1=[NH+]C=CN1CCCC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030835926	1	52	0.0	-67.57	411.05	5.41	-62.16
C[C@@]1(CNC(=O)CCCC[NH+]2CCOCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030835930	1	58	0.0	-73.66	438.29	4.06	-69.60
C[NH+](C)CC1=CC=C(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C=C1	REAL300030835936	0	54	0.0	-77.19	418.79	6.06	-71.13
C[C@@]1(CNC(=O)CC[NH+]2CCOCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030835937	1	52	0.0	-68.86	395.93	2.57	-66.29
CCC[NH+](CCC)CCCC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030835962	0	62	0.0	-69.12	458.35	6.37	-62.75
CC1=C[NH+]=CN1CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030835982	1	46	0.0	-64.85	369.54	4.85	-60.00
C[C@@]1(CNC(=O)CN2C=[NH+]C3=C2CCCC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030835993	1	53	0.0	-62.24	411.72	6.57	-55.67
C[NH+](C)CC1(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL300030836037	0	60	0.0	-69.43	417.10	6.75	-62.68
C[N@H+](CCC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300030836043	0	60	0.0	-68.16	438.43	6.07	-62.09
C[N@@H+](CCC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300030836043	1	60	0.0	-70.01	438.15	6.06	-63.95
C[C@@]1(CNC(=O)C23CCC[NH+]2CCC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030836048	0	52	0.0	-71.17	384.63	4.45	-66.72
C[NH+](C)C1CCCC(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030836087	0	57	0.0	-64.54	412.35	5.14	-59.40
C[N@@H+]1CCC(CC(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030836092	0	51	0.0	-70.95	386.89	4.11	-66.84
C[N@H+]1CCC(CC(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030836092	1	51	0.0	-70.19	386.86	4.10	-66.09
CN(C)C1=CC=[NH+]C=C1C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030836106	0	50	0.0	-72.92	390.80	3.31	-69.61
CCC(C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030836112	0	50	0.0	-64.64	369.85	3.61	-61.03
C[NH+](C)C1(CC(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300030836132	0	57	0.0	-68.22	404.56	5.00	-63.22
C[C@@]1(CNC(=O)C2=CC3=C[NH+]=CN3C=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030836197	1	46	0.0	-71.84	371.08	6.11	-65.73
C[C@@]1(CNC(=O)C2=NN(C3=CC=[NH+]C=C3)C=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030836240	1	49	0.0	-80.37	399.73	3.92	-76.45
C[NH+](C)CCCCC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030836274	0	53	0.0	-70.49	406.03	4.70	-65.79
CC(C)C(C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030836296	0	53	0.0	-67.79	389.75	4.75	-63.04
CCC[N@H+](C)CCC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030836298	0	53	0.0	-69.65	401.33	4.43	-65.22
CCC[N@@H+](C)CCC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030836298	1	53	0.0	-69.98	401.33	4.43	-65.55
CCC[N@H+](C)CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030836304	0	50	0.0	-64.41	379.90	3.98	-60.43
CCC[N@@H+](C)CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030836304	1	50	0.0	-64.16	379.90	3.98	-60.18
C[C@@]1(CNC(=O)C23CC[N@H+](C2)CCC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030836334	0	52	0.0	-66.85	382.05	3.72	-63.13
C[C@@]1(CNC(=O)C23CC[N@@H+](C2)CCC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030836334	1	52	0.0	-68.80	381.73	3.74	-65.06
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030836398	0	48	0.0	-68.92	360.26	3.02	-65.90
C[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030836398	1	48	0.0	-64.66	365.10	3.59	-61.07
CC1CC2CCC(C(=O)NC[C@]3(C)CCCN3C(=O)C3=CC(=O)[N-]O3)C[N@@H+]2C1	REAL300030836425	0	58	0.0	-66.39	428.03	5.84	-60.55
CC1CC2CCC(C(=O)NC[C@]3(C)CCCN3C(=O)C3=CC(=O)[N-]O3)C[N@H+]2C1	REAL300030836425	1	58	0.0	-64.27	428.36	5.82	-58.45
CCCCCC[N@H+](C)CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030836476	0	59	0.0	-66.71	443.74	6.24	-60.47
CCCCCC[N@@H+](C)CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030836476	1	59	0.0	-65.17	444.39	6.33	-58.84
CC[NH+](CC)C(C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300030836485	0	59	0.0	-49.30	409.46	6.00	-43.30
CC[NH+](CC)CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030836495	0	50	0.0	-64.76	371.01	3.45	-61.31
CCC[N@@H+]1CCCC(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030836529	0	57	0.0	-68.71	423.60	5.52	-63.19
CCC[N@H+]1CCCC(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030836529	1	57	0.0	-64.91	424.45	5.62	-59.29
CC(C)[N@@H+]1CCOC(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030836552	0	55	0.0	-57.71	404.70	3.97	-53.74
CC(C)[N@H+]1CCOC(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030836552	1	55	0.0	-74.20	404.96	3.97	-70.23
CC1CC[NH+](CC(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030836592	0	54	0.0	-66.64	402.30	4.95	-61.69
C[C@@]1(CNC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030836623	1	49	0.0	-76.74	399.96	4.04	-72.70
C[NH+]1CCC(OCC(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030836632	0	55	0.0	-76.57	420.10	4.61	-71.96
C[NH+](C)CC1(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030836649	0	51	0.0	-73.41	377.86	4.82	-68.59
CC1=[NH+]C=C2CCC(C(=O)NC[C@]3(C)CCCN3C(=O)C3=CC(=O)[N-]O3)CN21	REAL300030836650	1	53	0.0	-61.40	408.29	5.34	-56.06
CC(C)[NH+]1CCC(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030836751	0	57	0.0	-70.15	415.85	5.19	-64.96
C[NH+]1CCC(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030836781	0	51	0.0	-73.00	385.21	4.24	-68.76
CC(C)[C@H](C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030836804	0	53	0.0	-66.87	386.39	4.45	-62.42
CCC(C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300030836841	0	56	0.0	-61.19	407.37	4.89	-56.30
CC[N@H+](C)CCC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030836936	0	50	0.0	-69.10	379.83	3.68	-65.42
CC[N@@H+](C)CCC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030836936	1	50	0.0	-69.31	379.83	3.68	-65.63
CC1CCC[N@@H+]1CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837012	0	51	0.0	-60.61	379.41	3.99	-56.62
CC1CCC[N@H+]1CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837012	1	51	0.0	-60.78	385.88	4.38	-56.40
CC1CC[N@H+](CC(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030837014	0	51	0.0	-64.28	385.44	4.15	-60.13
CC1CC[N@@H+](CC(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030837014	1	51	0.0	-64.81	385.36	4.17	-60.64
CC(C)(C)[N@@H+]1CCC(F)(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030837015	0	57	0.0	-68.82	421.48	4.81	-64.01
CC(C)(C)[N@H+]1CCC(F)(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030837015	1	57	0.0	-59.20	421.43	4.81	-54.39
CC1=[NH+]C=C2CC(C(=O)NC[C@]3(C)CCCN3C(=O)C3=CC(=O)[N-]O3)CCN21	REAL300030837017	1	53	0.0	-68.60	409.25	5.24	-63.36
CC1(C)CC[N@H+](CC(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030837020	0	54	0.0	-65.47	404.77	4.73	-60.74
CC1(C)CC[N@@H+](CC(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030837020	1	54	0.0	-64.46	405.71	4.74	-59.72
C[N@H+](CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030837021	0	56	0.0	-67.39	407.56	4.78	-62.61
C[N@@H+](CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030837021	1	56	0.0	-63.50	410.50	5.08	-58.42
CC[C@@H](C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030837032	0	50	0.0	-60.91	371.05	3.55	-57.36
CC(COCC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCC1	REAL300030837040	0	58	0.0	-65.23	438.34	5.24	-59.99
C[C@@]1(CNC(=O)C2CC[NH+](CC3CC3)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837128	0	58	0.0	-73.58	433.80	6.38	-67.20
C[NH+]1CCC(O)(CC(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030837278	0	55	0.0	-73.59	410.31	2.81	-70.78
COCC[N@@H+]1CCCC1CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837285	0	58	0.0	-69.20	436.25	4.06	-65.14
COCC[N@H+]1CCCC1CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837285	1	58	0.0	-66.27	438.61	3.93	-62.34
C[NH+](C)CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837293	0	44	0.0	-66.43	340.02	2.48	-63.95
C[C@@]1(CNC(=O)C[NH+]2CCC(CO)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837298	1	55	0.0	-69.15	413.42	1.66	-67.49
C[C@@]1(CNC(=O)C[NH+]2CCCCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837302	0	54	0.0	-66.56	390.87	4.57	-61.99
CN1C=C[N+](CC(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300030837307	0	46	0.0	-62.93	371.25	5.99	-56.94
C[N@@H+]1CCCC(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030837318	0	51	0.0	-63.75	378.35	4.31	-59.44
C[N@H+]1CCCC(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030837318	1	51	0.0	-67.46	384.67	4.13	-63.33
C[C@@]1(CNC(=O)C2CCC[N@@H+]2C2CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837324	0	52	0.0	-59.76	390.15	4.31	-55.45
C[C@@]1(CNC(=O)C2CCC[N@H+]2C2CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837324	1	52	0.0	-60.05	393.06	4.98	-55.07
CC(C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030837361	1	48	0.0	-66.03	370.41	3.57	-62.46
CCC(CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030837370	0	56	0.0	-76.44	415.38	5.09	-71.35
C[NH+](C)CC(C)(C)C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837379	0	53	0.0	-67.68	390.91	4.29	-63.39
C[C@@]1(CNC(=O)C23CC(C2)C[N@@H+]3C2CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837402	0	53	0.0	-52.11	383.29	5.52	-46.59
C[C@@]1(CNC(=O)C23CC(C2)C[N@H+]3C2CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837402	1	53	0.0	-51.17	387.88	6.13	-45.04
C[C@@]1(CNC(=O)C[NH+]2CCC(O)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837425	1	52	0.0	-69.20	393.14	1.07	-68.13
C[N@H+](CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030837427	0	48	0.0	-64.07	369.06	3.91	-60.16
C[N@@H+](CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030837427	1	48	0.0	-62.54	369.51	3.90	-58.64
CC(C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300030837428	1	56	0.0	-66.64	411.60	2.41	-64.23
C[NH+]1CC(CC(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030837457	0	48	0.0	-67.24	371.16	3.23	-64.01
C[C@@]1(CNC(=O)C2CC[N@@H+]2C2CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837461	0	55	0.0	-65.58	412.16	5.49	-60.09
C[C@@]1(CNC(=O)C2CC[N@H+]2C2CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837461	1	55	0.0	-65.26	411.24	5.36	-59.90
CC(C)(C)[N@@H+]1CCC1C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837469	0	54	0.0	-61.51	383.42	4.06	-57.45
CC(C)(C)[N@H+]1CCC1C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837469	1	54	0.0	-62.34	401.33	4.23	-58.11
C[C@@]1(CNC(=O)C2CCN(C3=CC=[NH+]C=C3)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837480	0	54	0.0	-71.56	417.37	3.16	-68.40
C[C@@H](C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030837483	0	47	0.0	-62.49	358.57	2.86	-59.63
CCC1CCC[N@H+](CC(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030837535	0	57	0.0	-61.55	414.22	5.28	-56.27
CCC1CCC[N@@H+](CC(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030837535	1	57	0.0	-65.18	414.15	5.26	-59.92
C[NH+](C)CC1=CC=C(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)N1	REAL300030837544	0	52	0.0	-75.27	406.34	3.90	-71.37
C[NH+]1C2CCC1CC(CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030837559	0	58	0.0	-70.80	418.69	5.42	-65.38
C[C@@]1(CNC(=O)CN2C=CSC2=[NH2+])CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837605	0	44	0.0	-60.86	366.84	2.70	-58.16
C[N@H+](CCO)CCC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837618	0	51	0.0	-70.19	390.18	0.46	-69.73
C[N@@H+](CCO)CCC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837618	1	51	0.0	-67.91	390.21	0.47	-67.44
C[C@@H](C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030837619	0	47	0.0	-62.49	358.57	2.86	-59.63
C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837623	0	51	0.0	-65.82	373.23	4.00	-61.82
C[N@H+]1CCCC[C@@H]1C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837623	1	51	0.0	-66.00	382.32	4.10	-61.90
CC1CN2CC[N@@H+]1CC2C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837633	0	54	0.0	-76.50	391.73	1.44	-75.06
CC1CN2CC[N@H+]1CC2C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837633	1	54	0.0	-75.76	393.18	1.51	-74.25
COC1C[N@@H+]2CCCC2(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030837682	0	56	0.0	-67.85	418.76	3.55	-64.30
COC1C[N@H+]2CCCC2(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030837682	1	56	0.0	-61.95	412.82	3.28	-58.67
C[C@@]1(CNC(=O)CC2=CC3=C[NH+]=CN3C=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837698	0	49	0.0	-70.08	394.42	6.67	-63.41
C[N@H+](CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300030837731	0	52	0.0	-71.14	400.21	4.84	-66.30
C[N@@H+](CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300030837731	1	52	0.0	-68.34	399.38	4.75	-63.59
C[NH+](C)CC1=CC(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)=CC=N1	REAL300030837770	1	53	0.0	-71.36	414.22	4.13	-67.23
C[N@@H+]1CCC(=CC(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030837772	0	49	0.0	-72.69	378.67	4.02	-68.67
C[N@H+]1CCC(=CC(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030837772	1	49	0.0	-73.41	377.69	4.07	-69.34
C[C@@]1(CNC(=O)C2C[NH+](C3CCCCC3)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837799	0	58	0.0	-66.43	432.32	5.79	-60.64
C[NH+](C)CCOCC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837817	0	51	0.0	-69.64	396.54	3.62	-66.02
CCCCC[N@H+](C)CCC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837824	0	59	0.0	-70.52	444.33	5.99	-64.53
CCCCC[N@@H+](C)CCC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837824	1	59	0.0	-70.77	444.33	5.99	-64.78
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030837834	0	55	0.0	-71.17	419.01	4.43	-66.74
C=CCC(C)(C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030837846	0	54	0.0	-50.45	377.61	4.93	-45.52
C[S+](C)CCC(O)C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837851	0	50	0.0	-79.70	403.49	1.97	-77.73
C[N@@H+]1CC(O)CC1(C)C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837886	0	52	0.0	-61.07	373.06	0.98	-60.09
CN1CC[N@H+](C)CC(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030837901	0	56	0.0	-68.37	411.21	2.26	-66.11
CN1CC[N@@H+](C)CC(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030837901	1	56	0.0	-68.37	411.21	2.26	-66.11
CC(C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)N1CCCC(O)C1	REAL300030837902	0	55	0.0	-65.43	408.98	1.71	-63.72
CC(C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300030837902	1	55	0.0	-63.95	410.84	1.50	-62.45
CC(C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[N@H+]1CCCC(O)C1	REAL300030837902	1	55	0.0	-63.95	410.84	1.50	-62.45
C[C@@]1(CNC(=O)CN2CCC(CO)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837917	0	55	0.0	-69.15	413.42	1.66	-67.49
C[C@@]1(CNC(=O)C[NH+]2CCC(CO)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837917	1	55	0.0	-69.15	413.42	1.66	-67.49
C[N@@H+]1CCCC(O)(CC(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030837927	0	55	0.0	-68.04	410.08	2.86	-65.18
C[N@H+]1CCCC(O)(CC(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030837927	1	55	0.0	-68.04	410.08	2.86	-65.18
CC1CN(CC(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030837931	0	48	0.0	-65.89	370.99	3.57	-62.32
CC1C[NH+](CC(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030837931	1	48	0.0	-65.89	370.99	3.57	-62.32
C[C@@]1(CNC(=O)CN2CCC(C(N)=O)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837936	0	55	0.0	-72.25	417.66	1.03	-71.22
C[C@@]1(CNC(=O)C[NH+]2CCC(C(N)=O)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837936	1	55	0.0	-72.25	417.66	1.03	-71.22
CN(CCO)CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837961	0	48	0.0	-63.97	368.75	-0.00	-63.97
C[N@H+](CCO)CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837961	1	48	0.0	-67.85	367.68	-0.17	-68.02
C[N@@H+](CCO)CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837961	1	48	0.0	-67.85	367.68	-0.17	-68.02
C[NH+]1C2CCC1CC(=CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030837984	0	56	0.0	-71.03	413.30	5.48	-65.55
C[C@@]1(CNC(=O)C2C[N@@H+]3CCN2CCC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837989	0	54	0.0	-81.05	386.65	2.33	-78.72
C[C@@]1(CNC(=O)C2C[N@H+]3CCN2CCC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837989	1	54	0.0	-81.05	386.65	2.33	-78.72
CC[N@@H+]1CCCC(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030837998	0	54	0.0	-65.74	402.34	4.79	-60.95
CC[N@H+]1CCCC(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030837998	1	54	0.0	-65.74	402.34	4.79	-60.95
CC(CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030838000	0	53	0.0	-70.47	396.92	4.46	-66.01
CC[N@H+](C)CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838016	0	47	0.0	-65.20	357.75	3.16	-62.04
C[C@@]1(CNC(=O)C23CCC[N@@H+]2CCCC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838045	0	55	0.0	-52.76	379.32	5.64	-47.12
C[C@@]1(CNC(=O)C23CCC[N@H+]2CCCC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838045	1	55	0.0	-52.76	379.32	5.64	-47.12
C[C@@]1(CNC(=O)C23CCC[N@@H+]2CC=CC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838055	0	53	0.0	-52.59	376.05	5.29	-47.30
C[C@@]1(CNC(=O)C23CCC[N@H+]2CC=CC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838055	1	53	0.0	-52.59	376.05	5.29	-47.30
CC[N@H+](CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030838083	0	51	0.0	-64.13	381.59	4.36	-59.77
CC[NH+](CC)CCC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838108	0	53	0.0	-68.19	393.87	4.09	-64.10
C[C@@]1(CNC(=O)CCCC[NH+]2CCCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838148	0	60	0.0	-70.43	447.02	6.50	-63.93
CC1(O)CC[N@H+](CC(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030838183	0	52	0.0	-66.56	395.67	0.86	-65.70
C[NH+](C)CC=CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838196	0	48	0.0	-69.43	377.90	3.82	-65.61
CC(OCC[NH+](C)C)C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838223	0	54	0.0	-70.98	414.65	4.21	-66.77
C[NH+](C)CCOCCC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838234	0	54	0.0	-67.42	417.09	3.31	-64.11
COCCN(C)CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838235	0	51	0.0	-66.93	390.45	2.33	-64.60
COCC[N@H+](C)CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838235	1	51	0.0	-65.19	390.36	2.32	-62.87
COCC[N@@H+](C)CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838235	1	51	0.0	-65.19	390.36	2.32	-62.87
COCCCC[N@H+](C)CCC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838267	0	60	0.0	-73.59	456.50	4.28	-69.31
COCCCC[N@@H+](C)CCC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838267	1	60	0.0	-73.59	456.50	4.28	-69.31
C[NH+](C)C1(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300030838293	0	54	0.0	-59.27	374.21	5.38	-53.89
CC(CCC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030838296	0	53	0.0	-72.96	393.65	4.21	-68.75
CCN1CCC1C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838306	0	48	0.0	-64.00	372.25	3.55	-60.45
CC[N@@H+]1CCC1C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838306	1	48	0.0	-61.93	364.85	3.16	-58.77
CC[N@H+]1CCC1C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838306	1	48	0.0	-61.93	364.85	3.16	-58.77
CC(C)[N@@H+]1CCCC(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030838319	0	57	0.0	-66.02	418.66	5.28	-60.74
CC(C)[N@H+]1CCCC(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030838319	1	57	0.0	-66.02	418.66	5.28	-60.74
C[C@@]1(CNC(=O)C[N@@H+]2CCCC2CO)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838334	0	52	0.0	-64.79	394.68	1.04	-63.75
C[C@@]1(CNC(=O)C2CC3CCCC[N@@H+]3C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838361	0	55	0.0	-60.53	407.58	5.23	-55.30
C[C@@]1(CNC(=O)C2CC3CCCC[N@H+]3C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838361	1	55	0.0	-60.53	407.58	5.23	-55.30
C[NH+]1CCC(C)(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030838370	0	54	0.0	-58.06	397.29	4.56	-53.50
CC(C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)N1CCC(O)CC1	REAL300030838397	0	55	0.0	-68.87	411.15	1.33	-67.54
CC(C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300030838397	1	55	0.0	-68.87	411.15	1.33	-67.54
C=CCC(C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030838413	0	51	0.0	-59.16	383.62	4.03	-55.13
C[N@@H+]1CC(C)(C)CC1C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838431	0	54	0.0	-59.20	400.67	4.09	-55.11
C[NH+](C)CCCCCC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838436	0	56	0.0	-71.05	427.53	5.48	-65.57
CC1C[N@@H+]2CCN1C(C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030838484	0	54	0.0	-79.17	393.22	1.59	-77.58
CCCC(C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030838485	0	53	0.0	-66.45	391.33	4.40	-62.05
C[NH+](C)C(C)(C)C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838490	0	50	0.0	-56.03	362.64	4.10	-51.93
CC[NH+](CC)CCSCC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838531	0	57	0.0	-72.94	441.84	5.67	-67.27
C[N@@H+]1CCCCC1C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838543	0	51	0.0	-62.46	372.89	3.92	-58.54
C[N@H+]1CC=C(CC(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030838595	0	52	0.0	-67.48	399.26	4.84	-62.64
C[N@@H+]1CC=C(CC(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030838595	1	52	0.0	-67.48	399.26	4.84	-62.64
C[C@@]1(CNC(=O)CC2([NH+]3CCCC3)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838605	0	55	0.0	-62.86	405.73	5.32	-57.54
C[N@@H+]1CCCC(C(C)(C)C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030838664	0	60	0.0	-73.66	422.14	5.18	-68.48
C[N@H+]1CCCC(C(C)(C)C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030838664	1	60	0.0	-72.62	430.06	5.61	-67.01
C[NH+](C)CC1=CC=C(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030838669	1	51	0.0	-74.89	405.20	4.38	-70.51
C[NH+](C)CC1=CC=C(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C=N1	REAL300030838675	0	53	0.0	-74.58	414.62	4.21	-70.37
C[C@@]1(CNC(=O)C=CC[NH+]2CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838693	0	52	0.0	-67.77	401.55	4.93	-62.84
C[C@@]1(CNC(=O)C2CC[NH+](C3CC3)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838720	0	55	0.0	-69.83	414.57	5.65	-64.18
C[NH+](C)C1(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030838745	0	48	0.0	-56.79	356.82	4.41	-52.38
C[C@@]1(CNC(=O)CC[NH+]2CCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838749	0	51	0.0	-68.52	387.09	4.16	-64.36
C[C@@]1(CNC(=O)C2C[NH+]3CCN2CC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838796	0	51	0.0	-62.94	376.80	0.95	-61.99
C[N@H+]1CC2CC1(C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030838807	1	49	0.0	-54.21	353.37	4.23	-49.98
C[C@@]1(CNC(=O)C[N@H+]2CC3CCC2C3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838823	1	52	0.0	-62.80	386.91	4.59	-58.21
CC(C)[NH+]1CCC(CC(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030838835	0	60	0.0	-65.26	437.23	6.02	-59.24
C[C@@]1(CNC(=O)C=C2C[NH+]3CCC2CC3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838886	0	53	0.0	-65.70	397.04	5.00	-60.70
C[C@@]1(CNC(=O)C[N@@H+]2CC3C=CC2C3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838898	1	50	0.0	-64.17	379.02	4.33	-59.84
C[C@@]1(CNC(=O)C[N@H+]2CC3C=CC2C3)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838898	1	50	0.0	-61.21	379.22	4.35	-56.86
CC[NH+]1CCN(CC(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030838937	0	56	0.0	-66.28	416.91	2.71	-63.57
CC(C[NH+](C)C)C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838963	0	50	0.0	-68.36	379.07	3.84	-64.52
C[N@@H+]1CCCCC1CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030839065	0	54	0.0	-71.51	399.09	4.56	-66.95
C[N@H+]1CCCCC1CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030839065	1	54	0.0	-68.95	398.92	4.72	-64.23
CC1=C2C=C(C(=O)NC[C@]3(C)CCCN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030839088	1	49	0.0	-69.52	393.01	6.67	-62.85
CC(C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300030839089	1	51	0.0	-63.50	387.73	4.24	-59.26
CC1CC[N@@H+]1CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030839093	1	48	0.0	-65.02	371.38	3.62	-61.40
CC1CC[N@H+]1CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030839093	1	48	0.0	-63.16	366.42	3.39	-59.77
C[NH+](C)CC(O)CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030839098	0	51	0.0	-72.81	392.78	1.46	-71.35
CC1C[N@H+](C)CC(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030839136	1	52	0.0	-79.06	391.53	3.50	-75.56
CC1C[N@@H+](C)CC(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030839136	1	52	0.0	-71.77	391.42	3.26	-68.51
C[C@@]1(CNC(=O)CC[NH+]2CCC(O)CC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030839148	0	55	0.0	-68.63	415.35	1.66	-66.97
CCC[N@@H+]1CCCCC1C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030839151	0	57	0.0	-63.97	412.51	5.40	-58.57
CCC[N@H+]1CCCCC1C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030839151	1	57	0.0	-65.16	420.93	5.52	-59.64
CC[NH+]1CCN(CCC(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030839156	0	59	0.0	-72.18	438.72	3.17	-69.01
CCN1CC[NH+](CCC(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030839156	1	59	0.0	-66.99	438.11	3.10	-63.89
C[C@@]1(CNC(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030839159	0	58	0.0	-66.60	410.53	5.27	-61.33
C[C@@]1(CNC(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030839159	1	58	0.0	-63.45	415.37	6.04	-57.41
CC(C)C[NH+]1CCC(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030839207	0	60	0.0	-72.52	441.31	6.25	-66.27
C[NH+](C)C1CCN(CC(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030839233	0	59	0.0	-70.26	433.95	3.15	-67.11
C[NH+](C)[C@H]1C[C@H](C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030839255	0	51	0.0	-73.05	389.81	4.22	-68.83
CC(CC[NH+](C)C)C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030839263	0	53	0.0	-68.52	400.71	4.46	-64.06
C[N@H+](CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300030839297	0	55	0.0	-61.72	411.70	1.81	-59.91
C[N@@H+](CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300030839297	1	55	0.0	-63.70	410.97	1.90	-61.80
C[NH+]1CCN(CC(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030839312	1	53	0.0	-72.39	399.24	2.01	-70.38
CC[NH+]1CCN(CC(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030839321	0	56	0.0	-66.28	416.91	2.71	-63.57
C[C@@]1(CNC(=O)CSC(N)=[NH2+])CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030839353	0	42	0.0	-69.12	348.55	-0.65	-69.77
CC[N@@H+]1CCOCC1CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030839401	0	55	0.0	-72.98	403.62	2.69	-70.29
C[NH+](C)CCC1(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300030839420	0	60	0.0	-82.65	441.56	6.04	-76.61
CC1CCCC(C)[NH+]1CCC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030839422	0	60	0.0	-64.67	431.03	5.61	-59.06
C[NH+](C)C1CCC(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030839425	0	57	0.0	-55.28	412.37	5.16	-50.12
C[NH+](C)CCC1(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030839426	0	54	0.0	-63.98	403.81	5.51	-58.47
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030839430	0	57	0.0	-73.08	412.40	5.20	-67.88
C[N@@H+]1CC=CCC1CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030839431	0	52	0.0	-63.61	386.29	4.50	-59.11
C[N@H+]1CC=CCC1CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030839431	1	52	0.0	-63.61	386.29	4.50	-59.11
C[C@@H](OCC[NH+](C)C)C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030839461	0	54	0.0	-70.28	415.92	4.26	-66.02
C[NH+]1C2CCC1CC(C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030839495	0	55	0.0	-70.02	380.26	4.88	-65.14
CC(C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300030839648	1	52	0.0	-67.50	399.12	4.45	-63.05
CCC1C[NH+](CC(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030839651	1	51	0.0	-67.45	392.39	4.33	-63.12
C[C@@]1(CNC(=O)C2C[NH+](C3CCOCC3)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030839653	0	56	0.0	-72.15	424.20	3.57	-68.58
C[C@@]1(CNC(=O)C2([NH+]3CCCC3)CCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030839655	0	55	0.0	-50.33	384.78	5.95	-44.38
C[N@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030839666	1	48	0.0	-60.68	360.18	3.03	-57.65
C[C@@]1(CNC(=O)CC[N@H+]2CCC(F)C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030839676	1	51	0.0	-70.14	394.76	4.36	-65.78
COC1C[N@@H+](C)C(C)(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030839685	1	55	0.0	-73.30	411.33	3.04	-70.26
C[C@@]1(CNC(=O)CC[NH+]2CCCCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030839698	0	57	0.0	-69.20	413.78	5.13	-64.07
C[C@@]1(CNC(=O)C[NH+]2CCCCC2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030839700	0	51	0.0	-65.76	381.50	4.38	-61.38
CC1C(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030839710	0	51	0.0	-69.39	386.10	4.05	-65.34
CC1C(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030839710	1	51	0.0	-73.29	376.93	3.61	-69.68
C[N@@H+]1CCCCC1CCC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030839713	0	57	0.0	-70.69	414.70	5.33	-65.36
C[N@H+]1CCCCC1CCC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030839713	1	57	0.0	-64.46	414.70	5.33	-59.13
C[C@@]1(CNC(=O)C2CC[N@@H+]3CCOCC23)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030839749	0	53	0.0	-65.55	395.57	2.88	-62.67
C[C@@]1(CNC(=O)C2CC[N@H+]3CCOCC23)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030839749	1	53	0.0	-68.03	398.98	2.77	-65.26
CC1=[NH+]C=C2C=CC(C(=O)NC[C@]3(C)CCCN3C(=O)C3=CC(=O)[N-]O3)=CN21	REAL300030839757	0	49	0.0	-66.44	391.60	5.76	-60.68
CN1CCOCC1CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030839777	0	52	0.0	-70.61	390.91	2.38	-68.23
C[N@@H+]1CCOCC1CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030839777	1	52	0.0	-58.26	383.18	2.16	-56.10
C[N@H+]1CCOCC1CC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030839777	1	52	0.0	-70.61	390.91	2.38	-68.23
CC1=C(C)[NH+]=C(CCC(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)N1	REAL300030839788	1	52	0.0	-63.74	409.97	3.76	-59.98
CC(C)C[N@@H+]1CCCC(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030839807	0	60	0.0	-63.18	435.32	6.45	-56.73
CC(C)C[N@H+]1CCCC(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030839807	1	60	0.0	-60.11	435.03	6.40	-53.71
C[N@@H+]1CCCC1C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030839974	0	48	0.0	-58.01	361.70	3.04	-54.97
C[N@H+]1CCCC1C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030839974	1	48	0.0	-61.02	365.78	3.51	-57.51
CC1=[NH+]C=CN1CCCC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030840168	1	52	0.0	-62.27	414.34	5.65	-56.62
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCCC[NH+]1CCOCC1	REAL300030840172	1	58	0.0	-70.15	441.51	4.23	-65.92
C[NH+](C)CC1=CC=C(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C=C1	REAL300030840176	0	54	0.0	-80.34	412.93	6.15	-74.19
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC[NH+]1CCOCC1	REAL300030840177	1	52	0.0	-68.46	398.52	2.65	-65.81
CCC[NH+](CCC)CCCC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030840196	0	62	0.0	-67.45	461.10	6.57	-60.88
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300030840224	1	46	0.0	-76.52	364.96	6.20	-70.32
C[NH+](C)C1CCCC(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030840289	0	57	0.0	-64.02	414.80	5.73	-58.29
C[N@@H+]1CCC(CC(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030840294	0	51	0.0	-64.66	390.06	4.30	-60.36
C[N@H+]1CCC(CC(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030840294	1	51	0.0	-66.11	389.98	4.32	-61.79
CCC(C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030840311	0	50	0.0	-60.53	368.34	4.00	-56.53
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300030840320	1	49	0.0	-79.40	399.72	4.29	-75.11
CC1CC2CCC(C(=O)N3CCC[C@@]3(C)CNC(=O)C3=CC(=O)[N-]O3)C[N@@H+]2C1	REAL300030840363	0	58	0.0	-63.79	423.70	6.26	-57.53
CC1CC2CCC(C(=O)N3CCC[C@@]3(C)CNC(=O)C3=CC(=O)[N-]O3)C[N@H+]2C1	REAL300030840363	1	58	0.0	-56.60	417.58	6.49	-50.11
C[NH+](C)CCCCC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030840392	0	53	0.0	-68.61	408.74	4.84	-63.77
CCC[N@H+](C)CCC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030840413	0	53	0.0	-66.92	404.98	4.66	-62.26
CCC[N@@H+](C)CCC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030840413	1	53	0.0	-66.04	404.84	4.59	-61.45
CCC[N@H+](C)CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030840417	0	50	0.0	-63.70	382.60	4.06	-59.64
CCC[N@@H+](C)CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030840417	1	50	0.0	-62.45	382.40	4.07	-58.38
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C12CC[N@H+](C1)CCC2	REAL300030840440	0	52	0.0	-68.72	373.20	3.98	-64.74
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300030840440	1	52	0.0	-68.44	376.02	3.42	-65.02
CCCCCC[N@H+](C)CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030840479	0	59	0.0	-63.35	446.89	6.42	-56.93
CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030840479	1	59	0.0	-63.49	446.87	6.42	-57.07
CC1CC[NH+](CC(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030840525	0	54	0.0	-64.27	405.79	5.13	-59.14
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300030840550	1	49	0.0	-73.08	393.14	4.03	-69.05
C[NH+]1CCC(OCC(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030840557	0	55	0.0	-70.43	423.41	4.75	-65.68
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC2CCCC[N@@H+]2C1	REAL300030840615	0	55	0.0	-60.30	407.41	5.14	-55.16
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC2CCCC[N@H+]2C1	REAL300030840615	1	55	0.0	-59.82	409.16	5.35	-54.47
C[NH+](C)CC1(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030840627	0	51	0.0	-66.64	386.18	4.64	-62.00
CC1=[NH+]C=C2CCC(C(=O)N3CCC[C@@]3(C)CNC(=O)C3=CC(=O)[N-]O3)CN21	REAL300030840628	1	53	0.0	-62.13	403.74	5.63	-56.50
CC(C)[NH+]1CCC(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030840638	0	57	0.0	-65.33	417.41	5.16	-60.17
CC[N@H+](C)CCC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030840672	0	50	0.0	-66.26	383.41	3.93	-62.33
CC[N@@H+](C)CCC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030840672	1	50	0.0	-65.38	383.37	3.85	-61.53
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1C[NH+]2CCC1CC2	REAL300030840717	0	52	0.0	-74.80	379.70	4.18	-70.62
C[NH+]1CCC(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030840799	0	51	0.0	-67.29	383.12	3.98	-63.31
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[NH+](CC2CC2)CC1	REAL300030840886	0	58	0.0	-68.17	432.29	6.17	-62.00
CC[NH+](CC)CC(F)C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030840929	0	53	0.0	-69.96	404.25	4.48	-65.48
CC(C)C[N@@H+]1CCC(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030840963	0	57	0.0	-60.67	425.83	5.57	-55.10
CC(C)C[N@H+]1CCC(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030840963	1	57	0.0	-64.73	422.92	5.51	-59.22
CCC(C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300030840992	0	56	0.0	-57.94	399.48	5.27	-52.67
CC1CCC[N@@H+]1CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030841017	0	51	0.0	-58.96	388.38	4.46	-54.50
CC1CCC[N@H+]1CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030841017	1	51	0.0	-59.83	388.55	4.45	-55.38
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030841094	1	55	0.0	-60.20	428.73	5.86	-54.34
CC(C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300030841098	0	57	0.0	-60.02	410.41	4.97	-55.05
CC(C)[N@@H+]1CCCC1C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030841129	0	54	0.0	-60.96	398.70	4.49	-56.47
CC(C)[N@H+]1CCCC1C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030841129	1	54	0.0	-58.23	397.92	4.59	-53.64
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030841138	0	57	0.0	-59.93	414.12	4.78	-55.15
CC(C)[N@H+]1CCCC1CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030841138	1	57	0.0	-67.05	416.28	5.75	-61.30
CC1CC[N@H+](CC(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030841184	0	51	0.0	-62.41	388.58	4.33	-58.08
CC1CC[N@@H+](CC(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030841184	1	51	0.0	-61.13	388.82	4.43	-56.70
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030841185	0	57	0.0	-57.27	418.94	4.72	-52.55
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030841185	1	57	0.0	-64.11	419.90	4.59	-59.52
CC1=[NH+]C=C2CC(C(=O)N3CCC[C@@]3(C)CNC(=O)C3=CC(=O)[N-]O3)CCN21	REAL300030841186	1	53	0.0	-68.96	405.09	5.69	-63.27
CC1(C)CC[N@H+](CC(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030841189	0	54	0.0	-62.30	408.40	4.82	-57.48
CC1(C)CC[N@@H+](CC(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030841189	1	54	0.0	-61.14	408.23	4.92	-56.22
C[N@H+](CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030841190	0	56	0.0	-63.67	410.50	5.02	-58.65
C[N@@H+](CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)CC(C)(C)C	REAL300030841190	1	56	0.0	-63.90	413.73	5.27	-58.63
CC[C@@H](C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030841199	0	50	0.0	-62.29	369.70	3.33	-58.96
CC(COCC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCCC1	REAL300030841206	0	58	0.0	-65.34	441.93	5.34	-60.00
CN(CCC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)C1=CC=[NH+]C=C1	REAL300030841351	0	53	0.0	-67.00	417.85	4.36	-62.64
CC1=[NH+]C=CN1CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030841459	1	46	0.0	-58.20	371.58	4.25	-53.95
CC(C[NH+]1CCOCC1)C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030841461	1	55	0.0	-67.92	407.56	3.58	-64.34
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCC[NH+]1CCCCC1	REAL300030841479	0	57	0.0	-65.39	428.78	5.87	-59.52
C[NH+](C)CC1=CC(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)=NO1	REAL300030841494	1	50	0.0	-71.78	398.13	3.80	-67.98
CC1=C(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300030841496	0	49	0.0	-75.67	390.60	6.98	-68.69
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030841542	1	52	0.0	-57.98	408.89	5.38	-52.60
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300030841589	0	55	0.0	-62.83	395.54	4.60	-58.23
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCCC2CCC[N@H+]21	REAL300030841589	1	55	0.0	-57.17	403.64	5.24	-51.93
CC[N@@H+]1CCOC(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030841620	1	52	0.0	-67.41	394.12	3.54	-63.87
CC[N@H+]1CCOC(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030841620	1	52	0.0	-54.82	386.84	3.27	-51.55
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300030841682	0	46	0.0	-69.68	364.68	6.18	-63.50
CC1=C[NH+]=CN1CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030841687	1	46	0.0	-64.37	372.91	5.00	-59.37
C[NH+](C)CCN1C=C(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C=N1	REAL300030841692	0	54	0.0	-74.98	417.97	4.22	-70.76
C[NH+](C)CCN1C=CC(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300030841705	0	54	0.0	-75.46	425.12	4.34	-71.12
C[C@@H]1[C@H](C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030841712	0	51	0.0	-71.34	378.52	3.58	-67.76
C[C@@H]1[C@H](C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030841712	1	51	0.0	-68.39	384.48	4.19	-64.20
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030841714	1	55	0.0	-57.98	429.20	5.92	-52.06
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030841717	0	54	0.0	-68.08	395.45	4.15	-63.93
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030841717	1	54	0.0	-69.33	401.39	4.48	-64.85
CC1CCC(C)[NH+]1CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030841733	0	54	0.0	-60.97	399.79	4.60	-56.37
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCC[NH+]1CCCC1	REAL300030841740	0	54	0.0	-65.41	412.08	5.11	-60.30
C[NH+](C)CC1=CC=CC(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030841741	0	54	0.0	-72.34	412.91	6.15	-66.19
C#CC[NH+]1CCC(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030841747	0	53	0.0	-72.88	405.69	5.76	-67.12
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC[NH+]1CCCCC1	REAL300030841748	0	54	0.0	-64.96	407.24	5.03	-59.93
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1C=[NH+]C2=C1CCCC2	REAL300030841766	1	53	0.0	-64.48	414.99	6.75	-57.73
C[NH+](C)CC1(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL300030841799	0	60	0.0	-80.09	410.59	5.69	-74.40
C[N@H+](CCC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300030841803	0	60	0.0	-65.68	441.58	6.30	-59.38
C[N@@H+](CCC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)C1CCCCC1	REAL300030841803	1	60	0.0	-66.36	441.80	6.29	-60.07
C[NH+](C)C1(CC(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CCCC1	REAL300030841806	0	57	0.0	-67.44	407.11	5.05	-62.39
C[N@H+](CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030842003	0	51	0.0	-60.24	389.29	4.57	-55.67
C[N@@H+](CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL300030842003	1	51	0.0	-62.42	389.48	4.67	-57.75
CC(C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300030842028	0	57	0.0	-58.71	403.86	5.15	-53.56
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCCC[NH+]1CCCC1	REAL300030842047	0	57	0.0	-66.99	434.56	5.92	-61.07
C[N@H+](CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300030842050	1	54	0.0	-67.60	420.03	6.25	-61.35
C[N@@H+](CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300030842050	1	54	0.0	-66.41	419.83	6.24	-60.17
C[NH+]1CCC(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030842065	0	51	0.0	-67.29	383.12	3.98	-63.31
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030842117	0	48	0.0	-58.10	361.61	3.05	-55.05
C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030842117	1	48	0.0	-60.07	365.76	3.49	-56.58
C[N@@H+]1CCCC1CCC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030842148	0	54	0.0	-68.59	410.61	5.21	-63.38
C[N@H+]1CCCC1CCC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030842148	1	54	0.0	-66.22	404.86	4.70	-61.52
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300030842164	0	55	0.0	-56.75	406.88	5.46	-51.29
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCC2CCCC[N@H+]21	REAL300030842164	1	55	0.0	-58.68	409.08	5.46	-53.22
CCC[N@@H+]1CCCC(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030842241	0	57	0.0	-65.41	420.10	5.97	-59.44
CCC[N@H+]1CCCC(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030842241	1	57	0.0	-57.96	412.85	6.17	-51.79
CC(C)[N@@H+]1CCOC(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030842257	1	55	0.0	-66.57	410.86	4.05	-62.52
CC(C)[N@H+]1CCOC(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030842257	1	55	0.0	-70.26	403.66	3.35	-66.91
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[NH+]1CCC(CO)CC1	REAL300030842331	0	55	0.0	-63.04	416.61	1.81	-61.23
C[NH+]1C2CCC1CC(=CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030842368	0	56	0.0	-66.71	415.10	5.38	-61.33
CC1C(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030842386	0	51	0.0	-65.75	379.78	3.74	-62.01
CC1C(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030842386	1	51	0.0	-61.50	381.63	3.68	-57.82
C[N@@H+]1CCCCC1CCC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030842390	0	57	0.0	-64.70	417.23	5.37	-59.33
C[N@H+]1CCCCC1CCC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030842390	1	57	0.0	-62.44	423.89	5.58	-56.86
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC2=C(CCC2)[NH+]=C1N	REAL300030842423	1	51	0.0	-60.31	391.64	3.83	-56.48
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030842489	0	54	0.0	-60.47	404.17	4.13	-56.34
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030842489	1	54	0.0	-62.75	404.08	4.29	-58.46
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300030842507	0	54	0.0	-67.76	416.50	3.02	-64.74
C[C@@H](C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030842512	0	47	0.0	-64.35	359.65	2.85	-61.50
C[NH+](C)CC1=CC(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)=CC=N1	REAL300030842532	1	53	0.0	-64.36	408.68	4.31	-60.05
C=CCC(C)(C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030842538	0	54	0.0	-73.01	382.36	4.88	-68.13
CC[NH+](CC)CCSCC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030842571	0	57	0.0	-68.39	445.23	5.96	-62.43
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=C(N)C2=CC=CC=C2[NH+]=C1	REAL300030842572	1	50	0.0	-64.53	389.79	3.24	-61.29
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC[NH+]1CCCC1	REAL300030842577	0	51	0.0	-63.95	389.90	4.31	-59.64
C[N@H+](CCO)CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030842586	1	48	0.0	-64.40	371.25	0.09	-64.31
C[N@@H+](CCO)CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030842586	1	48	0.0	-63.39	371.42	0.12	-63.27
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1C[N@@H+]2CCN1CCC2	REAL300030842624	0	54	0.0	-63.95	389.91	1.92	-62.03
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1C[N@H+]2CCN1CCC2	REAL300030842624	1	54	0.0	-65.35	386.88	2.07	-63.28
CC(C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300030842651	1	52	0.0	-64.46	393.93	4.27	-60.19
C[N@H+]1CC=C(CC(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030842695	0	52	0.0	-64.97	402.49	5.03	-59.94
C[N@@H+]1CC=C(CC(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030842695	1	52	0.0	-62.67	402.43	4.95	-57.72
C[S+](C)CCC(O)C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030842710	0	50	0.0	-60.15	404.04	2.04	-58.11
CN1CC[N@H+](C)CC(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030842749	0	56	0.0	-67.74	411.31	2.64	-65.10
CN1CC[N@@H+](C)CC(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030842749	1	56	0.0	-62.65	408.49	2.31	-60.34
CC(C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300030842750	0	55	0.0	-66.36	409.13	1.98	-64.38
CC(C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[N@H+]1CCCC(O)C1	REAL300030842750	1	55	0.0	-63.24	404.97	1.98	-61.26
C[N@@H+]1CCCC(O)(CC(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030842789	0	55	0.0	-62.28	410.68	3.08	-59.20
C[N@H+]1CCCC(O)(CC(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030842789	1	55	0.0	-54.57	413.78	2.95	-51.62
CC1C[NH+](CC(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030842795	1	48	0.0	-62.30	374.67	3.77	-58.53
CC[N@@H+]1CCCC(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030842801	0	54	0.0	-55.93	394.57	4.76	-51.17
CC[N@H+]1CCCC(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030842801	1	54	0.0	-56.85	391.35	5.41	-51.44
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1=CC=C[NH+]=C1N	REAL300030842812	0	47	0.0	-58.21	377.60	2.54	-55.67
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCC[N@@H+]1C1CC1	REAL300030842825	0	52	0.0	-64.80	394.76	4.64	-60.16
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CCC[N@H+]1C1CC1	REAL300030842825	1	52	0.0	-65.19	379.59	4.81	-60.38
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C=CC[NH+]1CCCC1	REAL300030842875	0	52	0.0	-69.19	403.09	5.00	-64.19
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300030842900	0	55	0.0	-65.88	412.12	5.34	-60.54
CC[N@H+](C)CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030842945	0	47	0.0	-63.53	361.09	3.38	-60.15
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1CC2C=CC1C2	REAL300030843010	0	50	0.0	-58.36	382.24	4.46	-53.90
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@@H+]1CC2C=CC1C2	REAL300030843010	1	50	0.0	-60.71	382.60	4.56	-56.15
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@H+]1CC2C=CC1C2	REAL300030843010	1	50	0.0	-60.71	382.60	4.56	-56.15
CC1=CC=C(NCCC(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)N=C1	REAL300030843033	0	53	0.0	-62.10	422.24	4.10	-58.00
CC1=CC=C(NCCC(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)[NH+]=C1	REAL300030843033	1	53	0.0	-62.10	422.24	4.10	-58.00
CC(OCC[NH+](C)C)C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030843169	0	54	0.0	-57.90	410.97	4.52	-53.38
C[NH+](C)CCOCCC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030843181	0	54	0.0	-66.90	420.01	3.49	-63.41
COCCN(C)CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030843183	0	51	0.0	-61.58	393.20	2.46	-59.12
COCC[N@H+](C)CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030843183	1	51	0.0	-64.57	393.51	2.51	-62.06
COCC[N@@H+](C)CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030843183	1	51	0.0	-64.57	393.51	2.51	-62.06
CC(CCC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030843190	0	53	0.0	-66.00	396.36	4.35	-61.65
CC[N@H+](CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030843225	0	51	0.0	-66.67	380.41	5.02	-61.65
CC1C[N@@H+]2CCN1C(C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030843236	0	54	0.0	-60.28	393.68	1.43	-58.85
CC1=NC(N)=CC=C1C=CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030843278	0	51	0.0	-65.93	407.14	3.33	-62.60
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030843278	1	51	0.0	-65.93	407.14	3.33	-62.60
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@@H+]1CC2CCC1C2	REAL300030843286	0	52	0.0	-62.38	387.30	4.33	-58.05
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@H+]1CC2CCC1C2	REAL300030843286	1	52	0.0	-62.38	387.30	4.33	-58.05
CC(C)[NH+]1CCC(CC(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030843300	0	60	0.0	-62.86	440.77	6.26	-56.60
CC(C[NH+](C)C)C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030843314	0	50	0.0	-56.22	377.23	4.29	-51.93
CC[N@@H+]1CCC1C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030843366	0	48	0.0	-61.89	374.01	3.66	-58.23
CC(C)[N@@H+]1CCCC(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030843379	0	57	0.0	-62.07	418.10	5.22	-56.85
CC(C)[N@H+]1CCCC(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030843379	1	57	0.0	-62.07	418.10	5.22	-56.85
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030843397	0	56	0.0	-62.81	405.65	3.15	-59.66
C#CCN1CCCCC1C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030843447	0	53	0.0	-61.87	404.48	5.82	-56.05
C#CC[N@H+]1CCCCC1C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030843447	1	53	0.0	-65.89	396.73	5.60	-60.29
C#CC[N@@H+]1CCCCC1C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030843447	1	53	0.0	-65.89	396.73	5.60	-60.29
CNC1=NC(C)=CC=C1C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030843450	0	50	0.0	-62.71	388.17	3.72	-58.99
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030843450	1	50	0.0	-62.71	388.17	3.72	-58.99
CCCC(C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030843463	0	53	0.0	-59.77	395.14	4.39	-55.38
CC(CC[NH+](C)C)C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030843491	0	53	0.0	-66.13	399.29	4.29	-61.84
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300030843549	0	58	0.0	-53.28	413.78	5.86	-47.42
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300030843549	1	58	0.0	-53.28	413.78	5.86	-47.42
COCCCC[N@H+](C)CCC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030843626	0	60	0.0	-69.70	460.02	4.44	-65.26
COCCCC[N@@H+](C)CCC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030843626	1	60	0.0	-69.70	460.02	4.44	-65.26
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030843636	0	54	0.0	-58.03	404.32	4.71	-53.32
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030843636	1	54	0.0	-58.03	404.32	4.71	-53.32
C[NH+](C)CCCCCC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030843642	0	56	0.0	-68.65	430.24	5.62	-63.03
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC[NH+]1CCC(O)CC1	REAL300030843647	0	55	0.0	-68.46	418.47	1.82	-66.64
CCC[N@@H+]1CCCCC1C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030843652	0	57	0.0	-62.21	411.10	4.98	-57.23
CCC[N@H+]1CCCCC1C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030843652	1	57	0.0	-62.21	411.10	4.98	-57.23
CC[NH+]1CCN(CCC(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030843661	0	59	0.0	-65.43	440.61	3.23	-62.20
CCN1CC[NH+](CCC(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030843661	1	59	0.0	-65.43	440.61	3.23	-62.20
CN1CCN(CC(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030843665	0	53	0.0	-67.38	402.57	2.15	-65.23
C[NH+]1CCN(CC(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030843665	1	53	0.0	-67.38	402.57	2.15	-65.23
CC(C)C[NH+]1CCC(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030843789	0	60	0.0	-73.12	436.17	6.65	-66.47
CC1CN(C)CC(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030843792	0	52	0.0	-84.32	386.87	3.96	-80.36
CC1C[N@H+](C)CC(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030843792	1	52	0.0	-73.12	396.87	3.47	-69.65
CC1C[N@@H+](C)CC(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030843792	1	52	0.0	-73.12	396.87	3.47	-69.65
CCC1CCC[N@H+](CC(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030843828	0	57	0.0	-59.49	416.67	5.33	-54.16
CCC1CCC[N@@H+](CC(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030843828	1	57	0.0	-59.49	416.67	5.33	-54.16
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[NH+]1CC2CC2C1	REAL300030843860	0	49	0.0	-63.31	378.07	4.43	-58.88
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1([NH+]2CCCC2)CC1	REAL300030843878	0	55	0.0	-59.55	408.42	5.37	-54.18
CC([NH2+]C1(CO)CCCC1)C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030843895	0	58	0.0	-63.65	420.87	0.20	-63.45
C[N@@H+]1CCCCC1C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030843924	0	51	0.0	-65.29	371.39	4.36	-60.93
C[N@H+]1CCCCC1C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030843924	1	51	0.0	-57.71	378.43	4.46	-53.25
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300030843930	1	55	0.0	-63.32	425.77	6.13	-57.19
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[N@H+]1CC1=CC=CC=C1	REAL300030843930	1	55	0.0	-67.42	434.40	6.56	-60.86
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030843937	0	60	0.0	-60.20	422.06	6.74	-53.46
CC(C)C[N@H+]1CCCC(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030843937	1	60	0.0	-59.58	428.42	7.00	-52.58
C[NH+](C)C1CCN(CC(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030843992	0	59	0.0	-67.38	436.65	3.37	-64.01
C[N@@H+]1CCC(=CC(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030844057	0	49	0.0	-68.15	381.48	4.21	-63.94
C[N@H+]1CCC(=CC(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030844057	1	49	0.0	-67.41	380.53	4.25	-63.16
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CNC1=CC=[NH+]C=C1	REAL300030844064	0	47	0.0	-65.90	379.08	1.97	-63.93
CC[NH+]1CCN(CC(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030844126	0	56	0.0	-64.97	419.66	2.81	-62.16
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C=C1C[NH+]2CCC1CC2	REAL300030844127	0	53	0.0	-61.15	398.24	4.99	-56.16
C[N@H+](CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300030844186	0	55	0.0	-59.64	414.23	1.90	-57.74
C[N@@H+](CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[C@@H]1CCC[C@H]1O	REAL300030844186	1	55	0.0	-59.53	413.87	2.06	-57.47
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1C[NH+](C2CCOCC2)C1	REAL300030844195	0	56	0.0	-69.35	425.51	3.60	-65.75
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030844210	0	48	0.0	-61.28	365.91	3.37	-57.91
C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030844210	1	48	0.0	-66.80	361.37	3.11	-63.69
CCN1CCOCC1CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030844248	0	55	0.0	-70.46	407.26	3.47	-66.99
CC[N@@H+]1CCOCC1CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030844248	1	55	0.0	-68.03	411.43	3.09	-64.94
CC[N@H+]1CCOCC1CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030844248	1	55	0.0	-68.03	411.43	3.09	-64.94
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1C[NH+](C2CCCCC2)C1	REAL300030844274	0	58	0.0	-60.58	434.31	6.05	-54.53
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C2NC(N)=NC2=C1	REAL300030844350	0	48	0.0	-70.38	378.96	3.92	-66.46
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C2NC(N)=[NH+]C2=C1	REAL300030844350	1	48	0.0	-70.38	378.96	3.92	-66.46
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030844395	0	51	0.0	-68.36	391.96	4.40	-63.96
CC1CCCC(C)[NH+]1CCC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030844407	0	60	0.0	-61.42	433.45	5.74	-55.68
C[NH+](C)C1CCC(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030844410	0	57	0.0	-67.41	418.15	5.26	-62.15
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030844414	0	57	0.0	-63.93	407.59	5.59	-58.34
C[N@@H+]1CC=CCC1CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030844415	0	52	0.0	-60.69	389.49	4.63	-56.06
C[N@H+]1CC=CCC1CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030844415	1	52	0.0	-52.54	389.47	4.70	-47.84
CC1=CC(C=CC(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)=C[NH+]=C1N	REAL300030844477	1	51	0.0	-66.63	407.76	3.64	-62.99
C[NH+](C)CCOCC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030844492	0	51	0.0	-61.82	399.20	3.72	-58.10
CCCCC[N@H+](C)CCC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030844499	0	59	0.0	-67.72	447.97	6.22	-61.50
CCCCC[N@@H+](C)CCC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030844499	1	59	0.0	-66.84	447.84	6.15	-60.69
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030844511	0	55	0.0	-67.86	419.01	4.37	-63.49
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1C=CSC1=[NH2+]	REAL300030844537	0	44	0.0	-59.97	370.31	2.87	-57.10
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030844616	0	54	0.0	-57.65	411.07	4.55	-53.10
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC[NH+]1CCCCCC1	REAL300030844674	0	57	0.0	-66.91	417.15	5.30	-61.61
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[NH+]1CCCCC1	REAL300030844678	0	51	0.0	-61.75	384.97	4.54	-57.21
C[N@@H+]1CCCC(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030844680	0	51	0.0	-57.03	376.62	4.10	-52.93
C[N@H+]1CCCC(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030844680	1	51	0.0	-67.29	382.88	3.91	-63.38
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[NH+]1CCC(CO)CC1	REAL300030844682	0	55	0.0	-63.04	416.61	1.81	-61.23
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[NH+]1CCCCCC1	REAL300030844688	0	54	0.0	-60.15	394.27	4.75	-55.40
CN1C=C[N+](CC(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030844695	0	46	0.0	-58.49	374.48	6.20	-52.29
C[NH+](C)CC1=CC=C(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030844713	1	51	0.0	-69.45	404.06	4.42	-65.03
C[NH+](C)CC1=CC=C(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C=N1	REAL300030844721	0	53	0.0	-75.30	408.67	4.22	-71.08
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[NH+]1CCC(O)CC1	REAL300030844735	0	52	0.0	-65.78	396.02	1.15	-64.63
C[N@H+](CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030844742	0	48	0.0	-58.87	372.51	4.07	-54.80
C[N@@H+](CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030844742	1	48	0.0	-59.77	372.53	4.07	-55.70
CC(C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300030844744	1	56	0.0	-66.14	412.55	2.22	-63.92
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC[N@@H+]1CCC(F)C1	REAL300030844749	0	51	0.0	-70.84	397.97	4.55	-66.29
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC[N@H+]1CCC(F)C1	REAL300030844749	1	51	0.0	-72.36	397.38	4.41	-67.95
CC(CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030844784	0	53	0.0	-66.98	399.96	4.59	-62.39
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[N@@H+]2CCOCC12	REAL300030844804	0	53	0.0	-63.47	394.95	2.55	-60.92
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[N@H+]2CCOCC12	REAL300030844804	1	53	0.0	-69.35	398.84	2.90	-66.45
CC1=[NH+]C=C2C=CC(C(=O)N3CCC[C@@]3(C)CNC(=O)C3=CC(=O)[N-]O3)=CN21	REAL300030844812	0	49	0.0	-66.78	386.16	5.95	-60.83
C[N@@H+]1CCOCC1CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030844833	1	52	0.0	-63.42	386.37	2.37	-61.05
C[N@H+]1CCOCC1CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030844833	1	52	0.0	-54.27	386.42	2.38	-51.89
CC[NH+]1CCN(CC(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030844844	0	56	0.0	-64.97	419.66	2.81	-62.16
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030844898	1	47	0.0	-71.33	368.09	2.32	-69.01
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCC1=CC=C(N)[NH+]=C1	REAL300030844901	0	50	0.0	-64.84	402.27	3.19	-61.65
CC1(O)CC[N@H+](CC(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030844955	0	52	0.0	-61.19	399.83	1.09	-60.10
CC1(O)CC[N@@H+](CC(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030844955	1	52	0.0	-64.61	399.63	0.98	-63.63
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030844965	0	54	0.0	-47.18	409.35	4.26	-42.92
C[NH+]1CC(CC(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030844996	0	48	0.0	-66.30	374.57	3.54	-62.76
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[N@@H+]1C1CCCC1	REAL300030845002	0	55	0.0	-64.18	414.30	5.56	-58.62
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC[N@H+]1C1CCCC1	REAL300030845002	1	55	0.0	-64.96	406.62	5.08	-59.88
C[NH+](C)CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030845012	0	44	0.0	-63.47	343.28	2.60	-60.87
C[N@H+](CCO)CCC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030845053	0	51	0.0	-64.28	393.70	0.63	-63.65
C[N@@H+](CCO)CCC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030845053	1	51	0.0	-65.07	393.30	0.65	-64.42
C[C@@H](C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030845054	0	47	0.0	-64.35	359.65	2.85	-61.50
C[N@@H+]1CCCCC1CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030845074	0	54	0.0	-65.07	401.71	4.77	-60.30
C[N@H+]1CCCCC1CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030845074	1	54	0.0	-53.50	395.08	4.76	-48.74
CC1=C2C=C(C(=O)N3CCC[C@@]3(C)CNC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030845100	1	49	0.0	-75.32	386.87	6.76	-68.56
CC(C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300030845101	0	51	0.0	-62.74	385.39	4.57	-58.17
CC1CC[N@@H+]1CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030845106	0	48	0.0	-59.91	369.61	3.56	-56.35
CC1CC[N@H+]1CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030845106	1	48	0.0	-63.57	374.70	3.76	-59.81
C[NH+](C)CC=CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030845121	0	48	0.0	-70.73	378.02	3.79	-66.94
CC1(C)C[NH+](CC(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030845135	1	51	0.0	-61.87	393.61	4.25	-57.62
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCCC[NH+]1CCCCC1	REAL300030845149	0	60	0.0	-66.89	450.23	6.62	-60.27
CC1=C(C)[NH+]=C(CCC(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)N1	REAL300030845162	1	52	0.0	-60.19	413.61	3.99	-56.20
C[NH+]1CCC(C2(C(=O)N3CCC[C@@]3(C)CNC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030845172	0	58	0.0	-80.83	425.36	6.30	-74.53
CC1=C2C=C(C(=O)N3CCC[C@@]3(C)CNC(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030845181	1	49	0.0	-75.32	386.87	6.76	-68.56
C[NH+](C)CCSCC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030845191	0	51	0.0	-70.21	410.22	4.68	-65.53
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC2=C(CCCC2)[NH+]=C1N	REAL300030845213	1	54	0.0	-60.32	408.77	4.41	-55.91
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@@H+]1CCCC1CO	REAL300030845221	0	52	0.0	-63.07	392.64	0.69	-62.38
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N@H+]1CCCC1CO	REAL300030845221	1	52	0.0	-63.08	392.96	0.74	-62.34
CC[NH+](CC)CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030845224	0	50	0.0	-61.91	374.21	3.66	-58.25
C[N@H+](CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300030845237	0	52	0.0	-65.46	402.71	4.79	-60.67
C[N@@H+](CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)C1CCSC1	REAL300030845237	1	52	0.0	-69.54	402.50	4.89	-64.65
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[NH+]1CCC1	REAL300030845239	1	45	0.0	-63.01	353.34	3.03	-59.98
CC[NH+](CC)CCC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030845284	0	53	0.0	-65.86	400.65	4.52	-61.34
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[NH+]1CCC(C(N)=O)CC1	REAL300030845306	0	55	0.0	-75.73	420.85	1.19	-74.54
C[NH+](C)CC1=CNC(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030845352	0	52	0.0	-73.40	400.58	4.54	-68.86
CC(C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300030845372	0	55	0.0	-70.29	409.10	1.97	-68.32
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC2COCC[N@@H+]2C1	REAL300030845378	0	53	0.0	-65.96	399.48	2.90	-63.06
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC2COCC[N@H+]2C1	REAL300030845378	1	53	0.0	-65.23	397.89	2.86	-62.37
CC(C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030845394	0	48	0.0	-62.43	364.42	3.96	-58.47
CCC(CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030845404	0	56	0.0	-67.56	418.37	5.23	-62.33
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C=CC1=CC=C(N)[NH+]=C1	REAL300030845411	0	48	0.0	-68.27	389.57	2.91	-65.36
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030845476	0	51	0.0	-65.64	371.32	4.41	-61.23
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030845476	1	51	0.0	-59.71	379.28	4.65	-55.06
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030845490	0	54	0.0	-72.40	391.55	1.18	-71.22
CC1CN2CC[N@H+]1CC2C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030845490	1	54	0.0	-60.48	392.60	1.21	-59.27
C[NH+](C)CC(O)CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030845515	0	51	0.0	-67.94	395.85	1.62	-66.32
C[NH+]1C2CCC1CC(C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030845518	0	55	0.0	-60.56	399.22	4.66	-55.90
C=CCC(C(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030845564	0	51	0.0	-62.05	382.45	3.93	-58.12
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC2CCCC[N@@H+]2C1	REAL300030845574	0	55	0.0	-60.30	407.41	5.14	-55.16
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1CC2CCCC[N@H+]2C1	REAL300030845574	1	55	0.0	-59.82	409.16	5.35	-54.47
C[NH+]1CCC(O)(CC(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030845590	0	55	0.0	-64.60	413.86	2.88	-61.72
COCC[N@@H+]1CCCC1CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030845605	0	58	0.0	-54.49	418.43	4.67	-49.82
COCC[N@H+]1CCCC1CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300030845605	1	58	0.0	-62.81	441.02	4.02	-58.79
C[NH+]1C2CCC1CC(CC(=O)N1CCC[C@@]1(C)CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030845614	0	58	0.0	-59.56	422.11	5.66	-53.90
C[NH+](C)CCN1N=CC=C1C(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030845652	0	54	0.0	-61.35	396.68	4.84	-56.51
C[NH+]1CCC(C2(C(=O)NC[C@]3(C)CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030845699	0	58	0.0	-63.58	428.42	6.13	-57.45
CC1=C2C=C(C(=O)NC[C@]3(C)CCCN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030845711	1	49	0.0	-69.52	393.01	6.67	-62.85
C[NH+](C)CCSCC(=O)NC[C@]1(C)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030845722	0	51	0.0	-73.15	407.56	4.50	-68.65
C[C@@]1(CNC(=O)C2CC3COCC[N@@H+]3C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030845734	0	53	0.0	-64.47	398.44	2.84	-61.63
C[C@@]1(CNC(=O)C2CC3COCC[N@H+]3C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030845734	1	53	0.0	-67.11	399.05	2.95	-64.16
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC[N@@H+]1C	REAL300030845898	0	49	0.0	-70.31	361.30	2.03	-68.28
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC[N@H+]1C	REAL300030845898	1	49	0.0	-68.18	360.90	2.04	-66.14
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1C[N@H+](C)CCO1	REAL300030845922	1	50	0.0	-81.80	375.23	1.78	-80.02
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1C[N@@H+](C)CCO1	REAL300030845922	1	50	0.0	-69.44	367.75	1.65	-67.79
CC(C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300030846080	0	58	0.0	-64.87	407.81	3.94	-60.93
CC(C)[N@@H+]1CCCCC1C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030846082	0	58	0.0	-64.46	410.23	3.78	-60.68
CC(C)[N@H+]1CCCCC1C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030846082	1	58	0.0	-61.94	412.81	3.95	-57.99
CC(C)[N@@H+]1CCCC1C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030846102	0	55	0.0	-63.83	392.81	3.21	-60.62
CC(C)[N@H+]1CCCC1C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030846102	1	55	0.0	-66.59	393.08	4.06	-62.53
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC2CCCC[N@@H+]2C1	REAL300030846118	0	56	0.0	-69.63	406.87	4.16	-65.47
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC2CCCC[N@H+]2C1	REAL300030846118	1	56	0.0	-74.06	408.34	4.17	-69.89
CC(C)C1=[NH+]C=CN1CC(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030846136	1	53	0.0	-64.08	407.88	4.34	-59.74
CC1=[NH+]C=CN1CC(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030846163	1	47	0.0	-65.05	371.67	3.22	-61.83
CC(C[NH+]1CCOCC1)C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030846164	0	56	0.0	-65.88	411.25	2.05	-63.83
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCC[NH+]1CCCCC1	REAL300030846179	0	58	0.0	-71.54	427.05	4.77	-66.77
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)[NH+]1CCCCC1	REAL300030846196	0	58	0.0	-64.39	401.33	3.60	-60.79
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1C[NH+]2CCC1CC2	REAL300030846204	0	53	0.0	-79.77	380.40	3.09	-76.68
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCC2CCC[N@@H+]21	REAL300030846243	0	56	0.0	-66.30	394.49	3.69	-62.61
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCC2CCC[N@H+]21	REAL300030846243	1	56	0.0	-64.51	405.45	4.18	-60.33
C[C@@H]1[C@H](C(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030846256	0	52	0.0	-73.96	370.65	2.39	-71.57
C[C@@H]1[C@H](C(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030846256	1	52	0.0	-58.21	381.84	2.66	-55.55
CC[C@@H]1[C@@H](C(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030846260	0	55	0.0	-73.74	394.63	2.88	-70.86
CC[C@@H]1[C@@H](C(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030846260	1	55	0.0	-73.99	400.13	3.22	-70.77
CC[N@@H+]1CCOC(C(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030846269	1	53	0.0	-79.55	393.02	2.42	-77.13
CC[N@H+]1CCOC(C(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030846269	1	53	0.0	-80.95	392.12	2.50	-78.45
CC[NH+](CC)CC(F)C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030846310	0	54	0.0	-72.88	398.62	3.15	-69.73
CC1CCC(C)[NH+]1CC(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030846370	0	55	0.0	-65.70	398.62	3.46	-62.24
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCC[NH+]1CCCC1	REAL300030846376	0	55	0.0	-71.29	411.38	4.07	-67.22
C#CC[NH+]1CCC(C(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030846381	0	54	0.0	-76.52	407.79	4.09	-72.43
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[NH+]1CCCCC1	REAL300030846382	0	55	0.0	-71.81	405.89	4.12	-67.69
CC[N@@H+]1CCCCC1C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030846387	0	55	0.0	-65.61	396.99	3.65	-61.96
CC[N@H+]1CCCCC1C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030846387	1	55	0.0	-64.57	398.67	3.69	-60.88
CC(C)C[N@@H+]1CCC(C(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030846401	0	58	0.0	-70.80	423.47	4.39	-66.41
CC(C)C[N@H+]1CCC(C(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030846401	1	58	0.0	-72.38	423.50	4.30	-68.08
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1([NH+](C)C)CCC1	REAL300030846404	0	52	0.0	-70.10	369.58	2.41	-67.69
CC(C)[N@@H+]1CCCC1CC(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030846406	0	58	0.0	-63.44	411.54	4.11	-59.33
CC(C)[N@H+]1CCCC1CC(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030846406	1	58	0.0	-70.36	411.07	3.77	-66.59
CC(C)[C@@H](C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030846418	0	54	0.0	-64.34	384.94	3.11	-61.23
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)C1CCC1	REAL300030846459	0	52	0.0	-67.87	385.91	3.30	-64.57
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)C1CCC1	REAL300030846459	1	52	0.0	-66.57	388.44	3.59	-62.98
CC(C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300030846512	0	58	0.0	-63.54	408.03	3.69	-59.85
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030846566	1	51	0.0	-68.57	385.55	3.06	-65.51
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030846566	1	51	0.0	-67.49	391.79	3.59	-63.90
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCC1CCC[N@@H+]1C	REAL300030846571	0	55	0.0	-69.80	403.91	3.64	-66.16
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCC1CCC[N@H+]1C	REAL300030846571	1	55	0.0	-74.65	409.52	4.14	-70.51
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CCC[NH+](CCC1)C2	REAL300030846580	0	56	0.0	-70.68	389.48	3.26	-67.42
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC2CCCC[N@@H+]21	REAL300030846583	0	56	0.0	-65.81	401.46	4.03	-61.78
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC2CCCC[N@H+]21	REAL300030846583	1	56	0.0	-67.20	401.32	3.99	-63.21
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCCC[NH+]1CCCC1	REAL300030846599	0	58	0.0	-73.07	433.13	4.99	-68.08
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[NH+](C)CC1	REAL300030846610	0	52	0.0	-75.43	381.61	2.90	-72.53
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300030846642	1	51	0.0	-77.87	397.71	2.77	-75.10
CC1=C(C(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300030846643	0	50	0.0	-75.25	395.08	5.15	-70.10
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCC[N@@H+]1C	REAL300030846670	0	52	0.0	-68.67	367.95	2.44	-66.23
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCC[N@H+]1C	REAL300030846670	1	52	0.0	-66.29	379.92	3.06	-63.23
CC(C)C[N@@H+]1CCCC1C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030846690	0	58	0.0	-67.21	414.25	3.94	-63.27
CC(C)C[N@H+]1CCCC1C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030846690	1	58	0.0	-66.39	422.99	4.51	-61.88
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300030846784	0	47	0.0	-73.51	375.70	4.83	-68.68
CC1=[NH+]C=CN1CCCC(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030846792	1	53	0.0	-68.69	412.52	4.44	-64.25
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[NH+]1CCOCC1	REAL300030846796	1	53	0.0	-74.40	396.82	1.54	-72.86
CC1=C[NH+]=CN1CC(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030846823	1	47	0.0	-68.97	370.47	3.84	-65.13
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CCC[NH+]1CCC2	REAL300030846859	0	53	0.0	-73.38	372.88	2.98	-70.40
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCC([NH+](C)C)C1	REAL300030846881	0	58	0.0	-58.58	402.77	3.41	-55.17
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC[N@H+](C)C1	REAL300030846884	0	52	0.0	-72.82	387.28	3.12	-69.70
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC[N@@H+](C)C1	REAL300030846884	1	52	0.0	-74.39	388.04	3.12	-71.27
CN(C)C1=CC=[NH+]C=C1C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030846895	0	51	0.0	-76.90	387.73	1.70	-75.20
CCC(C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030846900	0	51	0.0	-65.50	367.37	2.32	-63.18
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1([NH+](C)C)CCCC1	REAL300030846911	0	58	0.0	-74.26	405.37	3.95	-70.31
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300030846947	1	47	0.0	-78.56	367.99	4.66	-73.90
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCCC[NH+](C)C	REAL300030846993	0	54	0.0	-74.55	407.16	3.81	-70.74
CC(C)C(C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030847012	0	54	0.0	-65.39	383.35	2.83	-62.56
CCC[N@H+](C)CCC(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030847014	0	54	0.0	-72.62	403.15	3.50	-69.12
CCC[N@@H+](C)CCC(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030847014	1	54	0.0	-73.51	403.51	3.66	-69.85
CCC[N@H+](C)CC(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030847019	0	51	0.0	-70.11	381.60	3.03	-67.08
CCC[N@@H+](C)CC(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030847019	1	51	0.0	-69.26	381.46	3.00	-66.26
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CC[N@H+](C1)CCC2	REAL300030847040	0	53	0.0	-72.22	373.49	2.36	-69.86
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CC[N@@H+](C1)CCC2	REAL300030847040	1	53	0.0	-77.16	372.63	2.37	-74.79
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300030847073	0	49	0.0	-65.59	365.92	2.42	-63.17
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CCC[N@H+]1C	REAL300030847073	1	49	0.0	-66.94	360.92	2.06	-64.88
CCCCCC[N@H+](C)CC(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030847122	0	60	0.0	-71.31	446.09	5.37	-65.94
CCCCCC[N@@H+](C)CC(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030847122	1	60	0.0	-70.54	445.95	5.34	-65.20
CC[NH+](CC)C(C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(C)C	REAL300030847126	0	60	0.0	-67.73	413.94	4.52	-63.21
CC[NH+](CC)CC(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030847134	0	51	0.0	-68.46	377.68	2.95	-65.51
CCC[N@@H+]1CCCC(C(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030847165	0	58	0.0	-63.56	412.88	4.34	-59.22
CCC[N@H+]1CCCC(C(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030847165	1	58	0.0	-54.17	409.54	4.30	-49.87
CC(C)[N@@H+]1CCOC(C(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030847180	0	56	0.0	-78.53	408.45	2.80	-75.73
CC(C)[N@H+]1CCOC(C(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030847180	1	56	0.0	-76.21	408.15	2.84	-73.37
CC1CC[NH+](CC(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030847208	0	55	0.0	-70.45	404.47	4.11	-66.34
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)COC1CC[NH+](C)CC1	REAL300030847233	0	56	0.0	-79.07	422.07	3.80	-75.27
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1(C[NH+](C)C)CC1	REAL300030847243	0	52	0.0	-67.64	390.29	3.19	-64.45
CC(C)[NH+]1CCC(C(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030847311	0	58	0.0	-73.73	417.43	4.13	-69.60
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[NH+](C)CC1	REAL300030847328	0	52	0.0	-75.43	381.61	2.90	-72.53
CC(C)[C@H](C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030847346	0	54	0.0	-68.45	381.85	3.08	-65.37
CCC(C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300030847376	0	57	0.0	-62.67	402.57	3.60	-59.07
CC[N@H+](C)CCC(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030847430	0	51	0.0	-71.90	381.65	2.74	-69.16
CC[N@@H+](C)CCC(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030847430	1	51	0.0	-72.75	382.00	2.91	-69.84
CC1CCC[N@@H+]1CC(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030847481	0	52	0.0	-65.79	388.16	3.26	-62.53
CC1CCC[N@H+]1CC(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030847481	1	52	0.0	-66.00	381.25	2.96	-63.04
CC1CC[N@H+](CC(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030847483	0	52	0.0	-68.06	387.58	3.29	-64.77
CC1CC[N@@H+](CC(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030847483	1	52	0.0	-68.54	387.86	3.36	-65.18
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300030847487	0	55	0.0	-69.84	406.86	3.72	-66.12
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+]1CCC(C)(C)C1	REAL300030847487	1	55	0.0	-69.75	407.45	3.74	-66.01
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)CC(C)(C)C	REAL300030847488	0	57	0.0	-69.16	412.42	4.20	-64.96
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)CC(C)(C)C	REAL300030847488	1	57	0.0	-68.98	409.69	4.03	-64.95
CC[C@@H](C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030847496	0	51	0.0	-67.16	368.59	2.40	-64.76
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1(O)CC[NH+](C)CC1	REAL300030847645	0	56	0.0	-69.68	409.28	1.96	-67.72
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+](C)C	REAL300030847656	0	45	0.0	-70.32	342.67	1.65	-68.67
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCC(CO)CC1	REAL300030847660	0	56	0.0	-70.56	415.12	0.65	-69.91
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCCCCC1	REAL300030847661	0	55	0.0	-68.03	393.31	3.66	-64.37
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N+]1=CN(C)C=C1	REAL300030847665	0	47	0.0	-68.49	373.07	5.11	-63.38
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC[N@H+](C)C1	REAL300030847672	0	52	0.0	-62.54	376.36	3.23	-59.31
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC[N@@H+](C)C1	REAL300030847672	1	52	0.0	-63.06	376.30	3.17	-59.89
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC[N@@H+]1C1CC1	REAL300030847677	0	53	0.0	-67.35	392.32	3.42	-63.93
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC[N@H+]1C1CC1	REAL300030847677	1	53	0.0	-67.02	377.77	3.09	-63.93
CC(C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030847701	1	49	0.0	-65.31	367.16	2.35	-62.96
CCC(CC(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030847705	0	57	0.0	-66.80	417.55	4.24	-62.56
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)C[NH+](C)C	REAL300030847712	0	54	0.0	-67.01	376.53	2.64	-64.37
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300030847728	0	54	0.0	-66.93	386.25	3.38	-63.55
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300030847728	1	54	0.0	-68.53	391.05	4.81	-63.72
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCC(O)CC1	REAL300030847736	1	53	0.0	-74.10	394.53	0.00	-74.10
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)C1CC1	REAL300030847737	0	49	0.0	-66.84	371.63	3.02	-63.82
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)C1CC1	REAL300030847737	1	49	0.0	-67.10	371.39	3.02	-64.08
CC(C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300030847738	1	57	0.0	-68.56	407.41	1.02	-67.54
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1C[NH+](C)C1	REAL300030847756	0	49	0.0	-71.82	373.50	2.46	-69.36
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[N@@H+]1C1CCCC1	REAL300030847760	0	56	0.0	-70.23	413.42	4.43	-65.80
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[N@H+]1C1CCCC1	REAL300030847760	1	56	0.0	-68.18	407.57	4.16	-64.02
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300030847768	0	55	0.0	-66.48	383.08	2.64	-63.84
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[N@H+]1C(C)(C)C	REAL300030847768	1	55	0.0	-67.17	402.83	3.09	-64.08
C[C@@H](C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030847779	0	48	0.0	-69.65	355.03	1.66	-67.99
CCC1CCC[N@H+](CC(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030847814	0	58	0.0	-69.64	415.56	4.56	-65.08
CCC1CCC[N@@H+](CC(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030847814	1	58	0.0	-70.50	422.80	4.62	-65.88
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=C(C[NH+](C)C)N1	REAL300030847821	0	53	0.0	-84.64	404.35	2.95	-81.69
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CN1C=CSC1=[NH2+]	REAL300030847862	0	45	0.0	-64.27	369.29	1.79	-62.48
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[N@H+](C)CCO	REAL300030847872	0	52	0.0	-72.97	392.36	-0.32	-73.29
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[N@@H+](C)CCO	REAL300030847872	1	52	0.0	-70.90	391.92	-0.48	-71.38
C[C@@H](C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030847873	0	48	0.0	-69.65	355.03	1.66	-67.99
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CCCC[N@@H+]1C	REAL300030847877	0	52	0.0	-65.69	379.18	2.86	-62.83
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CCCC[N@H+]1C	REAL300030847877	1	52	0.0	-68.05	369.78	2.55	-65.50
CC1CN2CC[N@@H+]1CC2C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030847885	0	55	0.0	-78.39	389.44	-0.01	-78.40
CC1CN2CC[N@H+]1CC2C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030847885	1	55	0.0	-71.72	391.54	0.19	-71.53
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CC2=C[NH+]=CN2C=C1	REAL300030847926	0	50	0.0	-70.21	394.19	5.57	-64.64
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)C1CCSC1	REAL300030847948	0	53	0.0	-74.68	400.89	3.71	-70.97
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)C1CCSC1	REAL300030847948	1	53	0.0	-75.09	401.19	3.74	-71.35
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCC1	REAL300030847949	1	46	0.0	-69.95	351.63	1.92	-68.03
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C=C1CC[N@H+](C)C1	REAL300030847977	0	50	0.0	-75.45	379.62	3.07	-72.38
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C=C1CC[N@@H+](C)C1	REAL300030847977	1	50	0.0	-74.51	379.59	3.05	-71.46
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)COCC[NH+](C)C	REAL300030848010	0	52	0.0	-72.05	397.88	2.76	-69.29
CCCCC[N@H+](C)CCC(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030848015	0	60	0.0	-73.54	446.14	5.06	-68.48
CCCCC[N@@H+](C)CCC(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030848015	1	60	0.0	-73.35	446.82	5.18	-68.17
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300030848024	0	56	0.0	-71.96	416.25	3.69	-68.27
C=CCC(C)(C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030848031	0	55	0.0	-75.89	385.91	3.28	-72.61
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(O)CC[S+](C)C	REAL300030848035	0	51	0.0	-79.58	403.94	1.06	-78.52
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CC(O)C[N@@H+]1C	REAL300030848060	0	53	0.0	-76.55	379.89	-0.76	-77.31
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CN(C)CC[N@H+](C)C1	REAL300030848070	0	57	0.0	-67.84	409.22	1.44	-66.40
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CN(C)CC[N@@H+](C)C1	REAL300030848070	1	57	0.0	-67.84	409.22	1.44	-66.40
CC(C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300030848071	0	56	0.0	-64.56	409.94	0.40	-64.16
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1(O)CCC[N@H+](C)C1	REAL300030848089	0	56	0.0	-64.14	402.57	1.69	-62.45
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1(O)CCC[N@@H+](C)C1	REAL300030848089	1	56	0.0	-64.14	402.57	1.69	-62.45
CC1CN(CC(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030848092	0	49	0.0	-69.92	371.63	2.65	-67.27
CC1C[NH+](CC(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030848092	1	49	0.0	-69.92	371.63	2.65	-67.27
CN(CCO)CC(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030848118	0	49	0.0	-70.32	370.31	-0.97	-71.29
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)CCO	REAL300030848118	1	49	0.0	-69.90	368.76	-0.66	-70.56
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)CCO	REAL300030848118	1	49	0.0	-69.90	368.76	-0.66	-70.56
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1C[N@@H+]2CCN1CCC2	REAL300030848140	0	55	0.0	-83.98	385.53	1.00	-82.98
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1C[N@H+]2CCN1CCC2	REAL300030848140	1	55	0.0	-83.98	385.53	1.00	-82.98
CC[N@@H+]1CCCC(C(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030848146	0	55	0.0	-63.64	387.80	3.53	-60.11
CC[N@H+]1CCCC(C(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030848146	1	55	0.0	-63.64	387.80	3.53	-60.11
CC(CC(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030848148	0	54	0.0	-73.62	399.65	3.63	-69.99
CC[N@H+](C)CC(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030848158	0	48	0.0	-69.03	359.96	2.27	-66.76
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CCC[N@@H+]1CCCC2	REAL300030848179	0	56	0.0	-66.00	388.06	3.17	-62.83
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CCC[N@H+]1CCCC2	REAL300030848179	1	56	0.0	-66.00	388.06	3.17	-62.83
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CCC[N@@H+]1CC=CC2	REAL300030848184	0	54	0.0	-65.24	381.47	3.07	-62.17
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CCC[N@H+]1CC=CC2	REAL300030848184	1	54	0.0	-65.24	381.47	3.07	-62.17
CC[N@H+](CC(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030848204	0	52	0.0	-66.46	387.17	3.52	-62.94
CC[NH+](CC)CCC(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030848219	0	54	0.0	-71.51	399.51	3.58	-67.93
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CN1CC(C)(C)C1	REAL300030848239	0	52	0.0	-69.45	392.14	3.11	-66.34
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CC(C)(C)C1	REAL300030848239	1	52	0.0	-69.45	392.14	3.11	-66.34
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300030848263	0	53	0.0	-69.08	398.62	0.01	-69.07
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C=CC[NH+](C)C	REAL300030848270	0	49	0.0	-75.20	378.81	2.89	-72.31
CC(OCC[NH+](C)C)C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030848289	0	55	0.0	-68.03	415.22	3.22	-64.81
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCOCC[NH+](C)C	REAL300030848297	0	55	0.0	-71.33	418.62	2.47	-68.86
COCCN(C)CC(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030848298	0	52	0.0	-70.28	391.01	1.74	-68.54
COCC[N@H+](C)CC(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030848298	1	52	0.0	-70.58	392.56	1.43	-69.15
COCC[N@@H+](C)CC(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030848298	1	52	0.0	-70.58	392.56	1.43	-69.15
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1([NH+](C)C)CCCC1	REAL300030848327	0	55	0.0	-74.80	378.29	2.95	-71.85
CC(CCC(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030848330	0	54	0.0	-71.00	399.42	3.41	-67.59
CCN1CCC1C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030848337	0	49	0.0	-70.39	372.74	2.40	-67.99
CC[N@@H+]1CCC1C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030848337	1	49	0.0	-66.76	366.08	2.19	-64.57
CC[N@H+]1CCC1C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030848337	1	49	0.0	-66.76	366.08	2.19	-64.57
CC(C)[N@@H+]1CCCC(C(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030848347	0	58	0.0	-68.93	417.73	4.24	-64.69
CC(C)[N@H+]1CCCC(C(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030848347	1	58	0.0	-68.93	417.73	4.24	-64.69
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+]1CCCC1CO	REAL300030848359	0	53	0.0	-68.07	396.33	0.08	-67.99
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC2CCCC[N@@H+]2C1	REAL300030848381	0	56	0.0	-74.06	408.34	4.17	-69.89
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC2CCCC[N@H+]2C1	REAL300030848381	1	56	0.0	-74.06	408.34	4.17	-69.89
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1(C)CC[NH+](C)CC1	REAL300030848387	0	55	0.0	-61.29	382.59	2.87	-58.42
C=CCC(C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030848414	0	52	0.0	-67.35	382.27	2.83	-64.52
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300030848424	0	55	0.0	-68.62	398.55	3.13	-65.49
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC(C)(C)C[N@H+]1C	REAL300030848424	1	55	0.0	-68.62	398.55	3.13	-65.49
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCCCC[NH+](C)C	REAL300030848427	0	57	0.0	-73.82	428.66	4.60	-69.22
CC1C[N@@H+]2CCN1C(C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C2	REAL300030848460	0	55	0.0	-70.74	383.46	2.17	-68.57
CCCC(C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030848461	0	54	0.0	-66.01	388.64	3.07	-62.94
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)[NH+](C)C	REAL300030848465	0	51	0.0	-74.19	358.36	2.17	-72.02
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCCC[N@@H+]1C	REAL300030848503	0	52	0.0	-66.29	379.92	3.06	-63.23
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CC[N@H+](C)CC1	REAL300030848536	0	53	0.0	-66.80	401.38	3.98	-62.82
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CC[N@@H+](C)CC1	REAL300030848536	1	53	0.0	-66.80	401.38	3.98	-62.82
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1([NH+]2CCCC2)CC1	REAL300030848545	0	56	0.0	-67.19	406.75	4.25	-62.94
CN(C)CC1=CC=C(C(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030848587	0	52	0.0	-78.60	402.28	3.32	-75.28
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300030848587	1	52	0.0	-78.60	402.28	3.32	-75.28
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C=CC[NH+]1CCCC1	REAL300030848603	0	53	0.0	-74.02	403.87	4.06	-69.96
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[NH+](C2CC2)CC1	REAL300030848623	0	56	0.0	-72.62	407.84	4.22	-68.40
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[NH+]1CCCC1	REAL300030848643	0	52	0.0	-72.04	390.26	3.42	-68.62
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C12CC(C1)C[N@@H+]2C	REAL300030848685	0	50	0.0	-70.83	365.03	2.78	-68.05
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+]1CC2CCC1C2	REAL300030848697	0	53	0.0	-67.32	388.32	3.60	-63.72
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+]1CC2CCC1C2	REAL300030848697	1	53	0.0	-67.32	388.32	3.60	-63.72
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C=C1C[NH+]2CCC1CC2	REAL300030848734	0	54	0.0	-66.04	397.79	4.04	-62.00
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CN1CC2C=CC1C2	REAL300030848744	0	51	0.0	-65.63	380.43	3.34	-62.29
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+]1CC2C=CC1C2	REAL300030848744	1	51	0.0	-68.06	381.50	3.61	-64.45
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+]1CC2C=CC1C2	REAL300030848744	1	51	0.0	-68.06	381.50	3.61	-64.45
CC(C[NH+](C)C)C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030848789	0	51	0.0	-73.89	379.18	2.75	-71.14
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CCCC[N@@H+]1C	REAL300030848854	0	55	0.0	-73.47	401.42	3.79	-69.68
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CCCC[N@H+]1C	REAL300030848854	1	55	0.0	-63.91	393.44	3.61	-60.30
CC1=C2C=C(C(=O)N(C)CC3COCCN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030848870	1	50	0.0	-72.58	397.67	5.40	-67.18
CC(C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300030848871	0	52	0.0	-67.38	387.87	2.98	-64.40
CC1CC[N@@H+]1CC(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030848874	1	49	0.0	-68.57	371.93	2.51	-66.06
CC1CC[N@H+]1CC(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030848874	1	49	0.0	-67.45	366.28	2.29	-65.16
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC(O)C[NH+](C)C	REAL300030848877	0	52	0.0	-77.50	394.61	0.38	-77.12
CC1C[N@H+](C)CC(C(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030848903	1	53	0.0	-81.29	388.51	2.51	-78.78
CC1C[N@@H+](C)CC(C(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)O1	REAL300030848903	1	53	0.0	-86.16	388.74	2.12	-84.04
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[NH+]1CCC(O)CC1	REAL300030848912	0	56	0.0	-75.24	416.01	0.59	-74.65
CCC[N@@H+]1CCCCC1C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030848914	0	58	0.0	-66.93	418.53	4.28	-62.65
CCC[N@H+]1CCCCC1C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030848914	1	58	0.0	-64.86	401.43	3.64	-61.22
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300030848978	0	52	0.0	-70.08	390.72	3.22	-66.86
CC(CC[NH+](C)C)C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030848986	0	54	0.0	-74.52	400.92	3.35	-71.17
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300030849006	0	56	0.0	-67.28	412.31	0.71	-66.57
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O	REAL300030849006	1	56	0.0	-65.12	410.80	0.75	-64.37
C#CC[N@H+]1CCCCC1C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030849012	1	54	0.0	-68.43	393.47	3.61	-64.82
C#CC[N@@H+]1CCCCC1C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030849012	1	54	0.0	-64.55	404.23	4.04	-60.51
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CN1CC[NH+](C)CC1	REAL300030849015	1	54	0.0	-69.56	400.55	0.98	-68.58
CC[NH+]1CCN(CC(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030849024	0	57	0.0	-68.54	417.79	1.62	-66.92
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CSC(N)=[NH2+]	REAL300030849047	0	43	0.0	-73.67	350.53	-1.40	-75.07
CC[N@@H+]1CCOCC1CC(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030849080	0	56	0.0	-72.79	405.14	1.89	-70.90
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC([NH+](C)C)CC1	REAL300030849095	0	58	0.0	-67.83	403.89	3.74	-64.09
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1(CC[NH+](C)C)CC1	REAL300030849096	0	55	0.0	-77.22	412.76	3.87	-73.35
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300030849098	0	58	0.0	-63.34	409.58	4.01	-59.33
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC=CC[N@@H+]1C	REAL300030849099	0	53	0.0	-73.18	392.47	3.65	-69.53
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1CC=CC[N@H+]1C	REAL300030849099	1	53	0.0	-73.18	392.47	3.65	-69.53
C[C@@H](OCC[NH+](C)C)C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030849120	0	55	0.0	-68.90	411.92	3.01	-65.89
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC2CCC(C1)[NH+]2C	REAL300030849145	0	56	0.0	-53.03	370.89	2.96	-50.07
CC(C(=O)N(C)CC1COCCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300030849243	1	53	0.0	-68.98	397.71	3.50	-65.48
CCC1C[NH+](CC(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030849245	1	52	0.0	-70.28	394.18	3.35	-66.93
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1([NH+]2CCCC2)CCC1	REAL300030849247	0	56	0.0	-66.10	398.66	3.67	-62.43
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300030849254	1	49	0.0	-65.79	366.11	2.35	-63.44
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[N@H+]1CCC(F)C1	REAL300030849261	1	52	0.0	-76.19	396.31	3.43	-72.76
COC1C[N@@H+](C)C(C)(C(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030849269	1	56	0.0	-72.57	403.50	1.77	-70.80
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC[NH+]1CCCCCC1	REAL300030849277	0	58	0.0	-73.58	415.99	4.32	-69.26
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCCCC1	REAL300030849279	0	52	0.0	-68.84	383.95	3.47	-65.37
CC1C(C(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030849289	0	52	0.0	-73.72	368.33	2.57	-71.15
CC1C(C(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030849289	1	52	0.0	-70.85	381.41	2.63	-68.22
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCC1CCCC[N@@H+]1C	REAL300030849291	0	58	0.0	-70.60	422.22	4.42	-66.18
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCC1CCCC[N@H+]1C	REAL300030849291	1	58	0.0	-68.82	423.55	4.52	-64.30
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[N@@H+]2CCOCC12	REAL300030849313	0	54	0.0	-75.70	396.64	1.63	-74.07
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC[N@H+]2CCOCC12	REAL300030849313	1	54	0.0	-68.87	384.38	1.20	-67.67
CC1=[NH+]C=C2C=CC(C(=O)N(C)CC3COCCN3C(=O)C3=CC(=O)[N-]O3)=CN21	REAL300030849318	0	50	0.0	-69.04	389.12	4.45	-64.59
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1COCCN1C	REAL300030849331	0	53	0.0	-78.46	392.06	1.36	-77.10
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1COCC[N@@H+]1C	REAL300030849331	1	53	0.0	-68.18	383.02	1.00	-67.18
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1COCC[N@H+]1C	REAL300030849331	1	53	0.0	-78.46	392.06	1.36	-77.10
CC1=C(C)[NH+]=C(CCC(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)N1	REAL300030849338	1	53	0.0	-66.62	412.02	2.98	-63.64
CN(CC1COCCN1C(=O)C1CCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030849508	1	49	0.0	-76.26	361.59	2.13	-74.13
CC1=[NH+]C=CN1CCCC(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030849691	1	53	0.0	-72.85	411.20	4.40	-68.45
CN(CC1COCCN1C(=O)CC[NH+]1CCOCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030849695	1	53	0.0	-80.73	395.68	1.55	-79.18
CN(CC1COCCN1C(=O)C1=CC2=C[NH+]=CN2C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030849717	1	47	0.0	-81.32	370.85	4.76	-76.56
CN(CC1COCCN1C(=O)C1CCCC([NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030849759	0	58	0.0	-68.90	411.89	4.10	-64.80
CN(CC1COCCN1C(=O)CC1CC[N@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030849762	0	52	0.0	-77.67	387.28	3.15	-74.52
CN(CC1COCCN1C(=O)CC1CC[N@@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030849762	1	52	0.0	-77.36	389.76	3.20	-74.16
CCC(C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030849776	0	51	0.0	-72.09	371.49	2.39	-69.70
CN(CC1COCCN1C(=O)CCCC[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030849826	0	54	0.0	-77.99	405.59	3.64	-74.35
CCC[N@H+](C)CCC(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030849845	0	54	0.0	-78.81	404.16	3.63	-75.18
CCC[N@@H+](C)CCC(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030849845	1	54	0.0	-77.44	403.85	3.66	-73.78
CCC[N@H+](C)CC(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030849849	0	51	0.0	-76.48	382.47	3.00	-73.48
CCC[N@@H+](C)CC(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030849849	1	51	0.0	-74.84	380.27	2.88	-71.96
CN(CC1COCCN1C(=O)C12CC[N@H+](C1)CCC2)C(=O)C1=CC(=O)[N-]O1	REAL300030849865	0	53	0.0	-76.54	374.59	2.33	-74.21
CN(CC1COCCN1C(=O)C12CC[N@@H+](C1)CCC2)C(=O)C1=CC(=O)[N-]O1	REAL300030849865	1	53	0.0	-78.56	376.32	2.55	-76.01
CCCCCC[N@H+](C)CC(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030849884	0	60	0.0	-76.03	445.52	5.22	-70.81
CCCCCC[N@@H+](C)CC(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030849884	1	60	0.0	-78.03	446.41	5.35	-72.68
CC1CC[NH+](CC(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030849915	0	55	0.0	-77.14	405.70	4.13	-73.01
CN(CC1COCCN1C(=O)COC1CC[NH+](C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030849935	0	56	0.0	-81.43	421.03	3.52	-77.91
CN(CC1COCCN1C(=O)C1CC2CCCC[N@@H+]2C1)C(=O)C1=CC(=O)[N-]O1	REAL300030849968	0	56	0.0	-74.78	407.29	4.22	-70.56
CN(CC1COCCN1C(=O)C1CC2CCCC[N@H+]2C1)C(=O)C1=CC(=O)[N-]O1	REAL300030849968	1	56	0.0	-73.59	406.95	4.22	-69.37
CN(CC1COCCN1C(=O)C1(C[NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030849977	0	52	0.0	-73.12	388.26	3.04	-70.08
CC(C)[NH+]1CCC(C(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030849987	0	58	0.0	-77.74	418.57	4.29	-73.45
CC[N@H+](C)CCC(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030850005	0	51	0.0	-77.91	382.67	2.89	-75.02
CC[N@@H+](C)CCC(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030850005	1	51	0.0	-76.66	382.35	2.91	-73.75
CN(CC1COCCN1C(=O)C1C[NH+]2CCC1CC2)C(=O)C1=CC(=O)[N-]O1	REAL300030850030	0	53	0.0	-78.80	380.50	3.13	-75.67
CN(CC1COCCN1C(=O)C1CC[NH+](C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030850089	0	52	0.0	-79.58	383.87	3.10	-76.48
CC[NH+](CC)CC(F)C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030850169	0	54	0.0	-73.73	401.59	3.46	-70.27
CC(C)C[N@@H+]1CCC(C(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030850190	0	58	0.0	-75.01	426.07	4.56	-70.45
CC(C)C[N@H+]1CCC(C(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030850190	1	58	0.0	-73.70	425.34	4.54	-69.16
CCC(C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](CC)CC	REAL300030850213	0	57	0.0	-70.48	390.70	3.13	-67.35
CC1CCC[N@@H+]1CC(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030850228	0	52	0.0	-71.48	380.82	3.03	-68.45
CC1CCC[N@H+]1CC(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030850228	1	52	0.0	-71.86	387.23	3.39	-68.47
CC(C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CCCCCC1	REAL300030850272	0	58	0.0	-71.28	404.13	3.84	-67.44
CC(C)[N@@H+]1CCCC1C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030850290	0	55	0.0	-70.24	389.29	3.87	-66.37
CC(C)[N@H+]1CCCC1C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030850290	1	55	0.0	-69.52	397.97	3.41	-66.11
CC(C)[N@@H+]1CCCC1CC(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030850295	0	58	0.0	-66.59	409.98	4.44	-62.15
CC(C)[N@H+]1CCCC1CC(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030850295	1	58	0.0	-74.81	412.05	3.94	-70.87
CC1CC[N@H+](CC(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030850321	0	52	0.0	-73.92	388.66	3.33	-70.59
CC1CC[N@@H+](CC(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030850321	1	52	0.0	-75.44	386.51	3.23	-72.21
CN(CC1COCCN1C(=O)C[N@@H+]1CCC(C)(C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030850324	0	55	0.0	-76.02	408.30	3.90	-72.12
CN(CC1COCCN1C(=O)C[N@H+]1CCC(C)(C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030850324	1	55	0.0	-76.03	407.85	3.88	-72.15
CN(CC1COCCN1C(=O)C[N@H+](C)CC(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030850325	0	57	0.0	-76.33	413.21	4.20	-72.13
CN(CC1COCCN1C(=O)C[N@@H+](C)CC(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030850325	1	57	0.0	-76.24	410.55	4.02	-72.22
CC[C@@H](C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030850332	0	51	0.0	-72.45	368.85	2.45	-70.00
CC1=[NH+]C=CN1CC(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030850496	1	47	0.0	-70.74	372.41	3.20	-67.54
CC(C[NH+]1CCOCC1)C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030850497	1	56	0.0	-77.94	413.01	2.20	-75.74
CN(CC1COCCN1C(=O)CCC[NH+]1CCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030850510	0	58	0.0	-77.12	426.32	4.75	-72.37
CN(CC1COCCN1C(=O)C1=NOC(C[NH+](C)C)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030850519	1	51	0.0	-81.20	397.48	2.94	-78.26
CC1=C(C(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C=CC2=C[NH+]=CN21	REAL300030850520	0	50	0.0	-79.20	395.39	5.33	-73.87
CC(C)C1=[NH+]C=CN1CC(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030850549	1	53	0.0	-69.59	407.39	4.16	-65.43
CN(CC1COCCN1C(=O)C1CCCC2CCC[N@@H+]21)C(=O)C1=CC(=O)[N-]O1	REAL300030850577	0	56	0.0	-75.63	396.17	4.15	-71.48
CN(CC1COCCN1C(=O)C1CCCC2CCC[N@H+]21)C(=O)C1=CC(=O)[N-]O1	REAL300030850577	1	56	0.0	-66.65	404.20	4.22	-62.43
CC[N@@H+]1CCOC(C(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030850590	1	53	0.0	-81.52	392.29	2.21	-79.31
CC[N@H+]1CCOC(C(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030850590	1	53	0.0	-84.65	392.56	2.39	-82.26
CN(CC1COCCN1C(=O)C1=CN2C=[NH+]C=C2C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030850626	0	47	0.0	-77.20	370.62	4.75	-72.45
CC1=C[NH+]=CN1CC(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030850631	1	47	0.0	-74.94	372.74	3.93	-71.01
C[C@@H]1[C@H](C(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030850642	0	52	0.0	-80.68	378.93	2.58	-78.10
C[C@@H]1[C@H](C(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030850642	1	52	0.0	-76.00	384.16	2.91	-73.09
CC[C@@H]1[C@@H](C(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030850645	0	55	0.0	-78.53	395.18	3.06	-75.47
CC[C@@H]1[C@@H](C(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030850645	1	55	0.0	-74.37	403.32	3.58	-70.79
CC1CCC(C)[NH+]1CC(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030850653	0	55	0.0	-72.00	393.92	3.47	-68.53
CN(CC1COCCN1C(=O)CCC[NH+]1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030850659	0	55	0.0	-76.24	412.99	4.18	-72.06
C#CC[NH+]1CCC(C(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030850664	0	54	0.0	-80.02	408.40	4.17	-75.85
CN(CC1COCCN1C(=O)CC[NH+]1CCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030850665	0	55	0.0	-77.18	404.41	3.96	-73.22
CN(CC1COCCN1C(=O)CC1([NH+](C)C)CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030850697	0	58	0.0	-79.98	406.84	4.07	-75.91
CN(CC1COCCN1C(=O)C[N@H+](C)C1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030850804	0	52	0.0	-74.54	388.93	3.57	-70.97
CN(CC1COCCN1C(=O)C[N@@H+](C)C1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030850804	1	52	0.0	-73.79	389.25	3.57	-70.22
CC(C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1C(C)CCC1C	REAL300030850821	0	58	0.0	-66.86	409.43	3.79	-63.07
CN(CC1COCCN1C(=O)CCCC[NH+]1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030850833	0	58	0.0	-76.57	431.56	4.83	-71.74
CN(CC1COCCN1C(=O)C1CC[NH+](C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030850844	0	52	0.0	-79.58	383.87	3.10	-76.48
CN(CC1COCCN1C(=O)[C@H]1CCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030850872	0	49	0.0	-73.99	367.76	2.51	-71.48
CN(CC1COCCN1C(=O)[C@H]1CCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030850872	1	49	0.0	-72.62	360.20	2.06	-70.56
CN(CC1COCCN1C(=O)CCC1CCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030850895	0	55	0.0	-73.17	403.88	3.74	-69.43
CN(CC1COCCN1C(=O)CCC1CCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030850895	1	55	0.0	-74.22	404.58	3.70	-70.52
CN(CC1COCCN1C(=O)C1CCC2CCCC[N@@H+]21)C(=O)C1=CC(=O)[N-]O1	REAL300030850904	0	56	0.0	-70.40	406.30	4.39	-66.01
CN(CC1COCCN1C(=O)C1CCC2CCCC[N@H+]21)C(=O)C1=CC(=O)[N-]O1	REAL300030850904	1	56	0.0	-70.49	406.98	4.36	-66.13
CCC[N@@H+]1CCCC(C(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030850956	0	58	0.0	-68.67	415.58	4.52	-64.15
CCC[N@H+]1CCCC(C(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030850956	1	58	0.0	-69.47	413.93	4.49	-64.98
CC(C)[N@@H+]1CCOC(C(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030850967	1	56	0.0	-80.62	409.42	2.87	-77.75
CC(C)[N@H+]1CCOC(C(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030850967	1	56	0.0	-83.52	410.56	2.92	-80.60
CN(CC1COCCN1C(=O)C[NH+]1CCC(CO)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030851014	0	56	0.0	-78.11	416.54	0.82	-77.29
CC1C(C(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030851052	0	52	0.0	-77.28	378.17	2.62	-74.66
CC1C(C(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030851052	1	52	0.0	-75.89	386.31	3.05	-72.84
CN(CC1COCCN1C(=O)CCC1CCCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030851054	0	58	0.0	-73.59	423.60	4.61	-68.98
CN(CC1COCCN1C(=O)CCC1CCCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030851054	1	58	0.0	-72.53	424.61	4.62	-67.91
CN(CC1COCCN1C(=O)C1CC[N@@H+]1C(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030851119	0	55	0.0	-72.75	376.19	3.01	-69.74
CN(CC1COCCN1C(=O)C1CC[N@H+]1C(C)(C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030851119	1	55	0.0	-72.48	379.98	3.03	-69.45
C[C@@H](C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030851136	0	48	0.0	-74.89	356.97	2.00	-72.89
C=CCC(C)(C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030851150	0	55	0.0	-68.24	387.55	3.01	-65.23
CN(CC1COCCN1C(=O)CC[NH+]1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030851171	0	52	0.0	-77.69	388.34	3.16	-74.53
CN(CC1COCCN1C(=O)C[N@H+](C)CCO)C(=O)C1=CC(=O)[N-]O1	REAL300030851180	1	49	0.0	-76.13	369.86	-1.09	-77.22
CN(CC1COCCN1C(=O)C[N@@H+](C)CCO)C(=O)C1=CC(=O)[N-]O1	REAL300030851180	1	49	0.0	-77.11	369.18	-0.65	-77.76
CN(CC1COCCN1C(=O)C1C[N@@H+]2CCN1CCC2)C(=O)C1=CC(=O)[N-]O1	REAL300030851212	0	55	0.0	-78.45	389.37	0.86	-77.59
CN(CC1COCCN1C(=O)C1C[N@H+]2CCN1CCC2)C(=O)C1=CC(=O)[N-]O1	REAL300030851212	1	55	0.0	-81.86	386.22	1.01	-80.85
CC(C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CCSCC1	REAL300030851229	1	53	0.0	-76.89	399.43	3.55	-73.34
CN(CC1COCCN1C(=O)CC1=CC[N@H+](C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030851256	0	53	0.0	-72.48	401.40	4.04	-68.44
CN(CC1COCCN1C(=O)CC1=CC[N@@H+](C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030851256	1	53	0.0	-71.08	400.81	3.87	-67.21
CN(CC1COCCN1C(=O)C(O)CC[S+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030851267	0	51	0.0	-77.82	402.26	0.80	-77.02
CN(CC1COCCN1C(=O)C1CN(C)CC[N@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030851292	0	57	0.0	-71.00	410.34	1.47	-69.53
CN(CC1COCCN1C(=O)C1CN(C)CC[N@@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030851292	1	57	0.0	-71.45	406.84	1.46	-69.99
CC(C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1)[N@@H+]1CCCC(O)C1	REAL300030851293	0	56	0.0	-74.91	409.70	0.72	-74.19
CC(C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1)[N@H+]1CCCC(O)C1	REAL300030851293	1	56	0.0	-72.97	409.69	0.68	-72.29
CN(CC1COCCN1C(=O)CC1(O)CCC[N@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030851321	0	56	0.0	-75.72	400.15	1.72	-74.00
CN(CC1COCCN1C(=O)CC1(O)CCC[N@@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030851321	1	56	0.0	-75.78	399.72	1.74	-74.04
CC1C[NH+](CC(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030851325	1	49	0.0	-76.49	373.72	2.75	-73.74
CC[N@@H+]1CCCC(C(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030851329	0	55	0.0	-68.75	395.38	3.90	-64.85
CC[N@H+]1CCCC(C(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030851329	1	55	0.0	-67.60	393.62	3.78	-63.82
CN(CC1COCCN1C(=O)CC1=CC=C[NH+]=C1N)C(=O)C1=CC(=O)[N-]O1	REAL300030851335	0	48	0.0	-69.82	377.23	1.45	-68.37
CN(CC1COCCN1C(=O)C1CCC[N@@H+]1C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030851343	0	53	0.0	-70.73	397.60	3.96	-66.77
CN(CC1COCCN1C(=O)C1CCC[N@H+]1C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030851343	1	53	0.0	-68.89	395.98	3.81	-65.08
CN(CC1COCCN1C(=O)C=CC[NH+]1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030851375	0	53	0.0	-79.26	401.65	3.91	-75.35
CN(CC1COCCN1C(=O)C1CC[NH+](C2CC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030851393	0	56	0.0	-77.17	406.18	4.12	-73.05
CC[N@H+](C)CC(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030851424	0	48	0.0	-74.47	358.77	2.13	-72.34
CN(CC1COCCN1C(=O)CN1CC2C=CC1C2)C(=O)C1=CC(=O)[N-]O1	REAL300030851463	0	51	0.0	-72.09	381.07	3.46	-68.63
CN(CC1COCCN1C(=O)C[N@@H+]1CC2C=CC1C2)C(=O)C1=CC(=O)[N-]O1	REAL300030851463	1	51	0.0	-73.17	381.49	3.65	-69.52
CN(CC1COCCN1C(=O)C[N@H+]1CC2C=CC1C2)C(=O)C1=CC(=O)[N-]O1	REAL300030851463	1	51	0.0	-73.17	381.49	3.65	-69.52
CC(OCC[NH+](C)C)C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030851576	0	55	0.0	-74.05	411.02	2.91	-71.14
CN(CC1COCCN1C(=O)CCOCC[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030851585	0	55	0.0	-75.72	417.06	2.29	-73.43
COCCN(C)CC(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030851587	0	52	0.0	-77.48	391.44	1.75	-75.73
COCC[N@H+](C)CC(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030851587	1	52	0.0	-77.93	393.04	1.42	-76.51
COCC[N@@H+](C)CC(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030851587	1	52	0.0	-77.93	393.04	1.42	-76.51
CC(CCC(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030851592	0	54	0.0	-80.85	393.14	3.23	-77.62
CC[N@H+](CC(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030851613	0	52	0.0	-73.10	386.41	3.49	-69.61
CC1C[N@@H+]2CCN1C(C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1)C2	REAL300030851623	0	55	0.0	-79.33	392.39	0.33	-79.00
CN(CC1COCCN1C(=O)C[N@@H+]1CC2CCC1C2)C(=O)C1=CC(=O)[N-]O1	REAL300030851653	0	53	0.0	-71.27	386.89	3.55	-67.72
CN(CC1COCCN1C(=O)C[N@H+]1CC2CCC1C2)C(=O)C1=CC(=O)[N-]O1	REAL300030851653	1	53	0.0	-71.27	386.89	3.55	-67.72
CC(C[NH+](C)C)C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030851669	0	51	0.0	-77.38	378.54	2.56	-74.82
CCN1CCC1C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030851707	0	49	0.0	-73.42	366.46	2.39	-71.03
CC[N@@H+]1CCC1C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030851707	1	49	0.0	-75.00	372.76	2.50	-72.50
CC[N@H+]1CCC1C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030851707	1	49	0.0	-75.00	372.76	2.50	-72.50
CC(C)[N@@H+]1CCCC(C(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030851717	0	58	0.0	-68.13	412.12	4.44	-63.69
CC(C)[N@H+]1CCCC(C(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030851717	1	58	0.0	-68.13	412.12	4.44	-63.69
CCC(C)(C)[NH2+]C(C)C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030851727	0	57	0.0	-74.33	405.36	2.24	-72.09
C#CCN1CCCCC1C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030851763	0	54	0.0	-71.83	408.48	4.41	-67.42
C#CC[N@H+]1CCCCC1C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030851763	1	54	0.0	-71.15	397.90	3.88	-67.27
C#CC[N@@H+]1CCCCC1C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030851763	1	54	0.0	-71.15	397.90	3.88	-67.27
CNC1=NC(C)=CC=C1C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030851764	0	51	0.0	-69.22	394.05	2.28	-66.94
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030851764	1	51	0.0	-69.22	394.05	2.28	-66.94
CCCC(C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030851774	0	54	0.0	-71.66	391.60	3.35	-68.31
CC(CC[NH+](C)C)C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030851795	0	54	0.0	-76.96	400.24	3.20	-73.76
CN(CC1COCCN1C(=O)C1CC(C)(C)C[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030851874	0	55	0.0	-71.14	403.84	3.53	-67.61
CN(CC1COCCN1C(=O)C1CC(C)(C)C[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030851874	1	55	0.0	-72.03	405.56	3.57	-68.46
CN(CC1COCCN1C(=O)CCCCC[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030851877	0	57	0.0	-76.59	427.09	4.43	-72.16
CN(CC1COCCN1C(=O)CC[NH+]1CCC(O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030851881	0	56	0.0	-80.45	416.01	0.59	-79.86
CCC[N@@H+]1CCCCC1C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030851884	0	58	0.0	-70.53	420.42	4.55	-65.98
CCC[N@H+]1CCCCC1C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030851884	1	58	0.0	-70.18	420.76	4.46	-65.72
CN(CC1COCCN1C(=O)CN1CC[NH+](C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030851892	1	54	0.0	-76.52	401.22	1.14	-75.38
CC1C[N@H+](C)CC(C(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)O1	REAL300030851970	1	53	0.0	-87.72	388.41	2.34	-85.38
CC1C[N@@H+](C)CC(C(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)O1	REAL300030851970	1	53	0.0	-71.74	388.97	2.28	-69.46
CCC1CCC[N@H+](CC(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030852000	0	58	0.0	-75.61	424.09	4.76	-70.85
CCC1CCC[N@@H+](CC(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030852000	1	58	0.0	-76.44	422.40	4.59	-71.85
CN(CC1COCCN1C(=O)C1=CC=C(C[NH+](C)C)N1)C(=O)C1=CC(=O)[N-]O1	REAL300030852008	0	53	0.0	-87.06	405.95	3.39	-83.67
CN(CC1COCCN1C(=O)C[NH+]1CC2CC2C1)C(=O)C1=CC(=O)[N-]O1	REAL300030852020	0	50	0.0	-76.26	376.61	3.32	-72.94
CN(CC1COCCN1C(=O)CC1([NH+]2CCCC2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030852032	0	56	0.0	-72.90	407.96	4.37	-68.53
CN(CC1COCCN1C(=O)C1CCCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030852061	0	52	0.0	-70.14	383.01	3.26	-66.88
CN(CC1COCCN1C(=O)C1CCCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030852061	1	52	0.0	-72.04	383.61	3.21	-68.83
CN(CC1COCCN1C(=O)C=C1CC[N@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030852148	0	50	0.0	-79.25	379.40	3.31	-75.94
CN(CC1COCCN1C(=O)C=C1CC[N@@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030852148	1	50	0.0	-79.04	377.55	3.02	-76.02
CN(CC1COCCN1C(=O)CNC1=CC=[NH+]C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030852153	0	48	0.0	-75.56	376.07	0.75	-74.81
CC[NH+]1CCN(CC(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030852198	0	57	0.0	-75.22	418.96	1.82	-73.40
CN(CC1COCCN1C(=O)C=C1C[NH+]2CCC1CC2)C(=O)C1=CC(=O)[N-]O1	REAL300030852199	0	54	0.0	-70.02	396.88	3.93	-66.09
CN(CC1COCCN1C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)C(=O)C1=CC(=O)[N-]O1	REAL300030852235	0	56	0.0	-73.07	410.89	0.89	-72.18
CN(CC1COCCN1C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)C(=O)C1=CC(=O)[N-]O1	REAL300030852235	1	56	0.0	-69.52	412.09	0.74	-68.78
CN(CC1COCCN1C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030852248	0	49	0.0	-76.34	361.00	2.22	-74.12
CN(CC1COCCN1C(=O)[C@@H]1CCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030852248	1	49	0.0	-72.71	365.56	2.45	-70.26
CCN1CCOCC1CC(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030852271	0	56	0.0	-79.03	404.07	1.84	-77.19
CC[N@@H+]1CCOCC1CC(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030852271	1	56	0.0	-78.62	410.31	2.17	-76.45
CC[N@H+]1CCOCC1CC(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030852271	1	56	0.0	-78.62	410.31	2.17	-76.45
CN(CC1COCCN1C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030852364	0	52	0.0	-74.69	391.23	3.34	-71.35
CN(CC1COCCN1C(=O)C1CCC([NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030852377	0	58	0.0	-79.64	418.32	4.25	-75.39
CN(CC1COCCN1C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030852379	0	58	0.0	-74.02	408.69	3.97	-70.05
CN(CC1COCCN1C(=O)CC1CC=CC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030852380	0	53	0.0	-71.42	389.10	3.64	-67.78
CN(CC1COCCN1C(=O)CC1CC=CC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030852380	1	53	0.0	-71.42	389.10	3.64	-67.78
CN(CC1COCCN1C(=O)COCC[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030852430	0	52	0.0	-74.51	396.61	2.52	-71.99
CCCCC[N@H+](C)CCC(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030852435	0	60	0.0	-79.86	447.35	5.22	-74.64
CCCCC[N@@H+](C)CCC(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030852435	1	60	0.0	-79.86	447.35	5.22	-74.64
CN(CC1COCCN1C(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1)C(=O)C1=CC(=O)[N-]O1	REAL300030852445	0	56	0.0	-74.25	417.33	3.39	-70.86
CN(CC1COCCN1C(=O)CN1C=CSC1=[NH2+])C(=O)C1=CC(=O)[N-]O1	REAL300030852461	0	45	0.0	-70.13	370.05	1.77	-68.36
C[C@@H](OCC[NH+](C)C)C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030852517	0	55	0.0	-69.36	413.27	3.06	-66.30
CN(CC1COCCN1C(=O)CC[NH+]1CCCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030852545	0	58	0.0	-79.70	415.29	4.19	-75.51
CN(CC1COCCN1C(=O)C[NH+]1CCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030852548	0	52	0.0	-75.05	384.86	3.50	-71.55
CN(CC1COCCN1C(=O)C1CCC[N@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030852550	0	52	0.0	-74.79	383.68	3.00	-71.79
CN(CC1COCCN1C(=O)C1CCC[N@@H+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030852550	1	52	0.0	-69.09	375.59	3.12	-65.97
CN(CC1COCCN1C(=O)C[NH+]1CCC(CO)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030852551	0	56	0.0	-78.11	416.54	0.82	-77.29
CN(CC1COCCN1C(=O)C[NH+]1CCCCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030852552	0	55	0.0	-76.64	393.83	3.88	-72.76
CN(CC1COCCN1C(=O)C[N+]1=CN(C)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030852557	0	47	0.0	-72.10	374.21	5.10	-67.00
CN(CC1COCCN1C(=O)C1=CC=C(C[NH+](C)C)O1)C(=O)C1=CC(=O)[N-]O1	REAL300030852569	1	52	0.0	-83.00	400.79	3.17	-79.83
CN(CC1COCCN1C(=O)C[NH+]1CCC(O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030852582	1	53	0.0	-81.73	395.94	0.17	-81.56
CN(CC1COCCN1C(=O)C[N@@H+](C)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030852586	1	49	0.0	-72.81	372.38	2.98	-69.83
CC(C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1)N1CC[NH+](C)CC1	REAL300030852588	1	57	0.0	-75.03	411.35	1.36	-73.67
CN(CC1COCCN1C(=O)CC[N@H+]1CCC(F)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030852590	1	52	0.0	-83.50	396.69	3.55	-79.95
CC(CC(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030852613	0	54	0.0	-78.24	398.15	3.50	-74.74
CN(CC1COCCN1C(=O)C1CC[N@@H+]2CCOCC12)C(=O)C1=CC(=O)[N-]O1	REAL300030852625	0	54	0.0	-71.37	390.11	1.61	-69.76
CN(CC1COCCN1C(=O)C1CC[N@H+]2CCOCC12)C(=O)C1=CC(=O)[N-]O1	REAL300030852625	1	54	0.0	-79.29	397.60	1.78	-77.51
CC1=[NH+]C=C2C=CC(C(=O)N3CCOCC3CN(C)C(=O)C3=CC(=O)[N-]O3)=CN21	REAL300030852630	0	50	0.0	-73.23	392.01	4.52	-68.71
CN(CC1COCCN1C(=O)CC1COCCN1C)C(=O)C1=CC(=O)[N-]O1	REAL300030852643	0	53	0.0	-74.15	386.16	1.32	-72.83
CN(CC1COCCN1C(=O)CC1COCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030852643	1	53	0.0	-70.37	386.25	1.31	-69.06
CN(CC1COCCN1C(=O)CC1COCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030852643	1	53	0.0	-74.15	386.16	1.32	-72.83
CC[NH+]1CCN(CC(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030852649	0	57	0.0	-75.22	418.96	1.82	-73.40
CC1=CC(N)=[NH+]C=C1C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030852689	1	48	0.0	-76.76	374.15	0.90	-75.86
CN(CC1COCCN1C(=O)CCC1=CC=C(N)[NH+]=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030852692	0	51	0.0	-74.78	401.57	2.17	-72.61
CN(CC1COCCN1C(=O)C[N@H+]1CCC(C)(O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030852723	1	53	0.0	-73.41	397.82	-0.10	-73.51
CN(CC1COCCN1C(=O)CC1C[NH+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030852753	0	49	0.0	-76.17	372.95	2.40	-73.77
CN(CC1COCCN1C(=O)C1CC[N@H+]1C1CCCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030852757	1	56	0.0	-74.94	406.70	4.06	-70.88
CN(CC1COCCN1C(=O)C[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030852765	0	45	0.0	-76.40	340.70	1.48	-74.92
CN(CC1COCCN1C(=O)CC[N@H+](C)CCO)C(=O)C1=CC(=O)[N-]O1	REAL300030852791	0	52	0.0	-77.43	392.19	-0.46	-77.89
CN(CC1COCCN1C(=O)CC[N@@H+](C)CCO)C(=O)C1=CC(=O)[N-]O1	REAL300030852791	1	52	0.0	-76.27	393.39	-0.29	-76.56
C[C@@H](C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030852792	0	48	0.0	-74.89	356.97	2.00	-72.89
CN(CC1COCCN1C(=O)CC1CCCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030852806	0	55	0.0	-67.50	394.99	3.67	-63.83
CN(CC1COCCN1C(=O)CC1CCCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030852806	1	55	0.0	-77.34	400.43	3.72	-73.62
CC1=C2C=C(C(=O)N3CCOCC3CN(C)C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030852822	1	50	0.0	-79.96	389.87	5.26	-74.70
CC(C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300030852823	0	52	0.0	-72.75	389.45	3.02	-69.73
CC1CCN1CC(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030852826	0	49	0.0	-74.95	371.66	2.53	-72.42
CC1CC[N@@H+]1CC(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030852826	1	49	0.0	-73.71	368.41	2.44	-71.27
CC1CC[N@H+]1CC(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030852826	1	49	0.0	-74.95	371.66	2.53	-72.42
CN(CC1COCCN1C(=O)C=CC[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030852834	0	49	0.0	-80.90	377.51	2.74	-78.16
CN(CC1COCCN1C(=O)C[NH+]1CC(C)(C)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030852845	1	52	0.0	-76.40	392.02	3.11	-73.29
CC1=C(C)[NH+]=C(CCC(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)N1	REAL300030852859	1	53	0.0	-71.24	412.79	2.97	-68.27
CC1=C2C=C(C(=O)N3CCOCC3CN(C)C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030852869	1	50	0.0	-79.96	389.87	5.26	-74.70
CN(CC1COCCN1C(=O)CSCC[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030852877	0	52	0.0	-80.83	407.30	3.49	-77.34
CN(CC1COCCN1C(=O)C[N@@H+]1CCCC1CO)C(=O)C1=CC(=O)[N-]O1	REAL300030852900	0	53	0.0	-74.85	395.70	0.24	-74.61
CN(CC1COCCN1C(=O)C[N@H+]1CCCC1CO)C(=O)C1=CC(=O)[N-]O1	REAL300030852900	1	53	0.0	-71.52	387.57	0.02	-71.50
CC[NH+](CC)CC(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030852904	0	51	0.0	-73.65	376.05	2.80	-70.85
CN(CC1COCCN1C(=O)C[N@H+](C)C1CCSC1)C(=O)C1=CC(=O)[N-]O1	REAL300030852914	0	53	0.0	-79.89	400.93	3.75	-76.14
CN(CC1COCCN1C(=O)C[N@@H+](C)C1CCSC1)C(=O)C1=CC(=O)[N-]O1	REAL300030852914	1	53	0.0	-81.03	402.96	3.82	-77.21
CN(CC1COCCN1C(=O)C[NH+]1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL300030852916	1	46	0.0	-77.12	350.84	2.13	-74.99
CC[NH+](CC)CCC(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030852950	0	54	0.0	-76.80	397.62	3.44	-73.36
CN(CC1COCCN1C(=O)C1=CC(C[NH+](C)C)=CN1)C(=O)C1=CC(=O)[N-]O1	REAL300030852999	0	53	0.0	-79.03	404.72	3.04	-75.99
CC(C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC(O)CC1	REAL300030853012	0	56	0.0	-75.06	405.95	0.29	-74.77
CN(CC1COCCN1C(=O)C1CC2COCC[N@@H+]2C1)C(=O)C1=CC(=O)[N-]O1	REAL300030853016	0	54	0.0	-76.10	398.42	1.94	-74.16
CN(CC1COCCN1C(=O)C1CC2COCC[N@H+]2C1)C(=O)C1=CC(=O)[N-]O1	REAL300030853016	1	54	0.0	-74.17	397.29	1.83	-72.34
CC(C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030853026	1	49	0.0	-72.08	366.48	2.37	-69.71
CCC(CC(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030853031	0	57	0.0	-65.61	410.97	3.75	-61.86
CN(CC1COCCN1C(=O)C=CC1=CC=C(N)[NH+]=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030853036	0	49	0.0	-79.86	387.79	1.76	-78.10
CN(CC1COCCN1C(=O)[C@H]1CCCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030853081	0	52	0.0	-71.89	383.28	3.24	-68.65
CN(CC1COCCN1C(=O)[C@H]1CCCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL300030853081	1	52	0.0	-73.87	371.95	2.73	-71.14
CC1CN2CC[N@@H+]1CC2C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030853093	0	55	0.0	-82.82	392.31	0.28	-82.54
CC1CN2CC[N@H+]1CC2C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030853093	1	55	0.0	-82.53	389.52	0.03	-82.50
CN(CC1COCCN1C(=O)CC(O)C[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL300030853113	0	52	0.0	-80.85	392.90	0.59	-80.26
CN(CC1COCCN1C(=O)C1CC2CCC(C1)[NH+]2C)C(=O)C1=CC(=O)[N-]O1	REAL300030853115	0	56	0.0	-71.03	384.15	3.17	-67.86
C=CCC(C(=O)N1CCOCC1CN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030853146	0	52	0.0	-70.54	383.16	3.11	-67.43
CN(CC1COCCN1C(=O)C1CC2CCCC[N@@H+]2C1)C(=O)C1=CC(=O)[N-]O1	REAL300030853153	0	56	0.0	-74.78	407.29	4.22	-70.56
CN(CC1COCCN1C(=O)C1CC2CCCC[N@H+]2C1)C(=O)C1=CC(=O)[N-]O1	REAL300030853153	1	56	0.0	-73.59	406.95	4.22	-69.37
CN(CC1COCCN1C(=O)CC1(O)CC[NH+](C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300030853162	0	56	0.0	-74.46	408.63	1.88	-72.58
CC1=C2C=C(C(=O)N(C)CC3COCCN3C(=O)C3=CC(=O)[N-]O3)C=CN2C=[NH+]1	REAL300030853231	1	50	0.0	-72.58	397.67	5.40	-67.18
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CSCC[NH+](C)C	REAL300030853240	0	52	0.0	-77.82	408.85	3.63	-74.19
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC2COCC[N@@H+]2C1	REAL300030853247	0	54	0.0	-74.06	395.96	1.53	-72.53
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1CC2COCC[N@H+]2C1	REAL300030853247	1	54	0.0	-72.12	397.41	1.74	-70.38
C[N@@H+]1CCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030853409	0	49	0.0	-76.25	371.86	2.93	-73.32
C[N@H+]1CCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030853409	1	49	0.0	-74.27	376.97	3.46	-70.81
C[N@@H+]1CCOC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030853433	1	50	0.0	-87.77	389.35	2.84	-84.93
C[N@H+]1CCOC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030853433	1	50	0.0	-87.98	389.46	2.81	-85.17
CC(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)[NH+]1CCCCCC1	REAL300030853604	0	58	0.0	-74.24	421.07	4.79	-69.45
CC(C)[N@@H+]1CCCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030853606	0	58	0.0	-71.26	425.00	4.90	-66.36
CC(C)[N@H+]1CCCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030853606	1	58	0.0	-72.01	419.04	4.90	-67.11
CC(C)[N@@H+]1CCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030853627	0	55	0.0	-74.96	404.70	4.65	-70.31
CC(C)[N@H+]1CCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030853627	1	55	0.0	-72.89	410.82	4.49	-68.40
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1CC2CCCC[N@@H+]2C1	REAL300030853644	0	56	0.0	-79.27	419.47	5.05	-74.22
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1CC2CCCC[N@H+]2C1	REAL300030853644	1	56	0.0	-79.30	419.53	5.04	-74.26
CC(C)C1=[NH+]C=CN1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030853666	1	53	0.0	-72.91	417.69	5.06	-67.85
CC1=[NH+]C=CN1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030853700	1	47	0.0	-74.42	381.49	3.94	-70.48
CC(C[NH+]1CCOCC1)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030853702	0	56	0.0	-79.28	423.35	3.06	-76.22
O=C(CCC[NH+]1CCCCC1)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030853719	0	58	0.0	-77.44	436.96	5.57	-71.87
CC(C)(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)[NH+]1CCCCC1	REAL300030853738	0	58	0.0	-77.45	421.40	5.32	-72.13
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1C[NH+]2CCC1CC2	REAL300030853748	0	53	0.0	-82.12	393.28	4.14	-77.98
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1CCCC2CCC[N@@H+]21	REAL300030853794	0	56	0.0	-73.19	408.18	4.92	-68.27
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1CCCC2CCC[N@H+]21	REAL300030853794	1	56	0.0	-70.90	416.40	5.21	-65.69
C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)CC[N@@H+]1C	REAL300030853810	0	52	0.0	-78.08	389.65	3.52	-74.56
C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)CC[N@H+]1C	REAL300030853810	1	52	0.0	-77.21	394.23	3.80	-73.41
CC[C@@H]1[C@@H](C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)CC[N@@H+]1C	REAL300030853815	0	55	0.0	-77.86	409.01	4.03	-73.83
CC[C@@H]1[C@@H](C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)CC[N@H+]1C	REAL300030853815	1	55	0.0	-77.36	414.24	4.36	-73.00
CC[N@@H+]1CCOC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030853830	1	53	0.0	-81.85	399.95	3.31	-78.54
CC[N@H+]1CCOC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030853830	1	53	0.0	-81.81	400.00	3.32	-78.49
CC[NH+](CC)CC(F)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030853876	0	54	0.0	-77.47	411.32	4.08	-73.39
CC1CCC(C)[NH+]1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030853949	0	55	0.0	-74.40	409.19	4.35	-70.05
O=C(CCC[NH+]1CCCC1)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030853955	0	55	0.0	-77.24	421.88	4.86	-72.38
C[NH+](C)CC1=CC=CC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)=C1	REAL300030853956	0	55	0.0	-78.50	430.21	5.82	-72.68
C#CC[NH+]1CCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)CC1	REAL300030853961	0	54	0.0	-81.63	421.28	5.15	-76.48
O=C(CC[NH+]1CCCCC1)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030853962	0	55	0.0	-78.15	416.05	4.75	-73.40
C[NH+](C)CC1=CC=CC=C1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030853965	0	55	0.0	-68.50	422.49	6.16	-62.34
CC[N@@H+]1CCCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030853969	0	55	0.0	-72.89	411.65	4.63	-68.26
CC[N@H+]1CCCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030853969	1	55	0.0	-73.90	402.40	4.43	-69.47
C[NH+](C)C(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1=CC=CC=C1	REAL300030853972	1	55	0.0	-75.34	426.71	5.82	-69.52
CC(C)C[N@@H+]1CCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030853989	0	58	0.0	-77.71	437.99	5.34	-72.37
CC(C)C[N@H+]1CCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030853989	1	58	0.0	-76.85	436.31	5.36	-71.49
C[NH+](C)C1(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)CCC1	REAL300030853993	0	52	0.0	-82.34	382.88	3.89	-78.45
CC(C)[N@@H+]1CCCC1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030853995	0	58	0.0	-69.90	423.54	4.49	-65.41
CC(C)[N@H+]1CCCC1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030853995	1	58	0.0	-70.39	420.83	4.43	-65.96
CC(C)[C@@H](C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)[NH+](C)C	REAL300030854010	0	54	0.0	-76.01	397.67	3.88	-72.13
C[N@H+](CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1CCC1	REAL300030854059	0	52	0.0	-75.92	398.15	4.31	-71.61
C[N@@H+](CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1CCC1	REAL300030854059	1	52	0.0	-76.07	398.29	4.32	-71.75
CC(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)[NH+]1C(C)CCC1C	REAL300030854123	0	58	0.0	-71.64	421.41	4.84	-66.80
CN(CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1=CC=[NH+]C=C1	REAL300030854179	0	54	0.0	-73.55	426.53	3.98	-69.57
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030854187	1	51	0.0	-75.29	398.47	4.14	-71.15
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030854187	1	51	0.0	-75.57	404.43	4.66	-70.91
C[N@@H+]1CCCC1CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030854193	0	55	0.0	-80.07	419.43	4.89	-75.18
C[N@H+]1CCCC1CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030854193	1	55	0.0	-75.97	413.99	4.36	-71.61
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C12CCC[NH+](CCC1)C2	REAL300030854204	0	56	0.0	-76.82	409.47	4.54	-72.28
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1CCC2CCCC[N@@H+]21	REAL300030854211	0	56	0.0	-74.50	412.71	4.87	-69.63
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1CCC2CCCC[N@H+]21	REAL300030854211	1	56	0.0	-72.33	419.66	5.32	-67.01
O=C(CCCC[NH+]1CCCC1)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030854231	0	58	0.0	-77.31	443.38	5.65	-71.66
C[N@H+](CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)CC1=CC=CC=C1	REAL300030854233	1	55	0.0	-82.75	428.70	5.92	-76.83
C[N@@H+](CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)CC1=CC=CC=C1	REAL300030854233	1	55	0.0	-82.62	428.76	5.92	-76.70
C[NH+]1CCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)CC1	REAL300030854244	0	52	0.0	-80.70	396.61	4.00	-76.70
C[NH+](C)CC1=CC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)=NO1	REAL300030854285	1	51	0.0	-82.31	410.00	3.36	-78.95
CC1=C(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C=CC2=C[NH+]=CN21	REAL300030854286	0	50	0.0	-76.52	396.15	6.23	-70.29
C[N@@H+]1CCCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030854318	0	52	0.0	-74.03	394.04	3.93	-70.10
C[N@H+]1CCCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030854318	1	52	0.0	-75.01	384.67	3.78	-71.23
CC(C)C[N@@H+]1CCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030854341	0	58	0.0	-74.08	436.74	5.58	-68.50
CC(C)C[N@H+]1CCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030854341	1	58	0.0	-76.01	430.92	5.05	-70.96
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1=CN2C=[NH+]C=C2C=C1	REAL300030854446	0	47	0.0	-77.56	382.22	5.84	-71.72
CC1=[NH+]C=CN1CCCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030854455	1	53	0.0	-74.14	423.02	5.24	-68.90
C[NH+](C)CC1=CC=C(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C=C1	REAL300030854460	0	55	0.0	-84.56	430.24	5.84	-78.72
O=C(CC[NH+]1CCOCC1)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030854461	1	53	0.0	-81.50	407.32	2.34	-79.16
CC1=C[NH+]=CN1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030854492	1	47	0.0	-76.43	381.82	4.67	-71.76
O=C(CN1C=[NH+]C2=C1CCCC2)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030854498	1	54	0.0	-76.46	423.63	6.40	-70.06
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C12CCC[NH+]1CCC2	REAL300030854534	0	53	0.0	-79.59	396.67	4.32	-75.27
C[NH+](C)C1CCCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030854563	0	58	0.0	-71.18	424.37	5.00	-66.18
C[N@@H+]1CCC(CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030854566	0	52	0.0	-78.37	399.04	3.91	-74.46
C[N@H+]1CCC(CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030854566	1	52	0.0	-79.49	398.37	3.98	-75.51
CN(C)C1=CC=[NH+]C=C1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030854578	0	51	0.0	-84.89	402.80	3.21	-81.68
CCC(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)[NH+](C)C	REAL300030854583	0	51	0.0	-74.72	382.47	3.34	-71.38
C[NH+](C)C1(CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)CCCC1	REAL300030854597	0	58	0.0	-79.81	415.88	4.76	-75.05
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1=CC2=C[NH+]=CN2C=C1	REAL300030854641	1	47	0.0	-81.82	382.49	5.85	-75.97
C[NH+](C)CCCCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030854699	0	54	0.0	-78.67	417.42	4.46	-74.21
CC(C)C(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)[NH+](C)C	REAL300030854719	0	54	0.0	-75.76	402.07	4.56	-71.20
CCC[N@H+](C)CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030854721	0	54	0.0	-79.37	413.51	4.34	-75.03
CCC[N@@H+](C)CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030854721	1	54	0.0	-79.37	413.65	4.28	-75.09
CCC[N@H+](C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030854727	0	51	0.0	-78.10	391.29	3.75	-74.35
CCC[N@@H+](C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030854727	1	51	0.0	-78.04	391.27	3.74	-74.30
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C12CC[N@H+](C1)CCC2	REAL300030854751	0	53	0.0	-84.70	393.17	3.75	-80.95
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C12CC[N@@H+](C1)CCC2	REAL300030854751	1	53	0.0	-85.15	392.66	3.72	-81.43
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030854791	0	49	0.0	-77.59	372.04	2.89	-74.70
C[N@H+]1CCC[C@@H]1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030854791	1	49	0.0	-74.41	377.13	3.40	-71.01
CCCCCC[N@H+](C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030854851	0	60	0.0	-79.34	455.78	6.09	-73.25
CCCCCC[N@@H+](C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030854851	1	60	0.0	-79.20	455.77	6.08	-73.12
CC[NH+](CC)C(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C(C)C	REAL300030854856	0	60	0.0	-73.02	420.70	4.39	-68.63
CC[NH+](CC)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030854865	0	51	0.0	-76.31	388.15	3.70	-72.61
CCC[N@@H+]1CCCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030854897	0	58	0.0	-76.33	435.67	5.41	-70.92
CCC[N@H+]1CCCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030854897	1	58	0.0	-76.43	435.79	5.38	-71.05
CC(C)[N@@H+]1CCOC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030854914	0	56	0.0	-83.91	423.92	4.00	-79.91
CC(C)[N@H+]1CCOC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030854914	1	56	0.0	-79.92	416.75	3.85	-76.07
CC1CC[NH+](CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)CC1	REAL300030854946	0	55	0.0	-78.52	415.01	4.83	-73.69
C[NH+]1CCC(OCC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)CC1	REAL300030854974	0	56	0.0	-82.38	431.87	4.48	-77.90
C[NH+](C)CC1(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)CC1	REAL300030854988	0	52	0.0	-77.39	403.98	4.15	-73.24
CC1=[NH+]C=C2CCC(C(=O)NCC3CCN(C(=O)C4=CC(=O)[N-]O4)C34CC4)CN21	REAL300030854989	1	54	0.0	-71.57	419.72	5.09	-66.48
CC(C)[NH+]1CCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)CC1	REAL300030855064	0	58	0.0	-78.87	430.97	5.20	-73.67
C[NH+]1CCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)CC1	REAL300030855085	0	52	0.0	-80.70	396.61	4.00	-76.70
CC(C)[C@H](C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)[NH+](C)C	REAL300030855103	0	54	0.0	-75.35	401.67	4.41	-70.94
CCC(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)[NH+](CC)CC	REAL300030855134	0	57	0.0	-71.76	418.22	4.63	-67.13
CC[N@H+](C)CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030855196	0	51	0.0	-78.55	392.01	3.60	-74.95
CC[N@@H+](C)CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030855196	1	51	0.0	-78.66	392.15	3.53	-75.13
CC1CCC[N@@H+]1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030855252	0	52	0.0	-74.54	390.72	3.74	-70.80
CC1CCC[N@H+]1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030855252	1	52	0.0	-74.53	390.74	3.72	-70.81
CC1CC[N@H+](CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030855254	0	52	0.0	-77.31	398.17	4.09	-73.22
CC1CC[N@@H+](CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030855254	1	52	0.0	-77.20	398.02	4.12	-73.08
CC1=[NH+]C=C2CC(C(=O)NCC3CCN(C(=O)C4=CC(=O)[N-]O4)C34CC4)CCN21	REAL300030855256	1	54	0.0	-75.15	421.30	5.12	-70.03
CC1(C)CC[N@H+](CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030855259	0	55	0.0	-77.15	416.97	4.64	-72.51
CC1(C)CC[N@@H+](CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030855259	1	55	0.0	-77.40	417.49	4.65	-72.75
C[N@H+](CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)CC(C)(C)C	REAL300030855260	0	57	0.0	-77.81	421.67	4.83	-72.98
C[N@@H+](CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)CC(C)(C)C	REAL300030855260	1	57	0.0	-77.84	421.83	4.89	-72.95
CC[C@@H](C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)[NH+](C)C	REAL300030855269	0	51	0.0	-75.32	382.47	3.33	-71.99
C[NH+]1CCC(O)(CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)CC1	REAL300030855448	0	56	0.0	-77.78	422.59	2.66	-75.12
C[NH+](C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030855460	0	45	0.0	-78.22	352.06	2.33	-75.89
O=C(C[NH+]1CCC(CO)CC1)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030855464	1	56	0.0	-79.68	425.71	1.56	-78.12
O=C(C[NH+]1CCCCCC1)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030855466	0	55	0.0	-77.44	403.13	4.39	-73.05
CN1C=C[N+](CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)=C1	REAL300030855470	0	47	0.0	-75.58	383.29	5.84	-69.74
C[N@@H+]1CCCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030855477	0	52	0.0	-77.27	396.57	4.00	-73.27
C[N@H+]1CCCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030855477	1	52	0.0	-71.48	390.24	4.22	-67.26
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1CCC[N@@H+]1C1CC1	REAL300030855482	0	53	0.0	-77.93	404.92	4.36	-73.57
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1CCC[N@H+]1C1CC1	REAL300030855482	1	53	0.0	-72.40	404.35	4.75	-67.65
CC(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)[NH+]1CCC1	REAL300030855511	1	49	0.0	-75.66	382.06	3.27	-72.39
CCC(CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C[NH+](C)C	REAL300030855517	0	57	0.0	-82.79	426.76	4.99	-77.80
C[NH+](C)CC(C)(C)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030855524	0	54	0.0	-74.02	399.59	4.04	-69.98
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C12CC(C1)C[N@@H+]2C1CC1	REAL300030855542	0	54	0.0	-75.56	403.86	4.78	-70.78
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C12CC(C1)C[N@H+]2C1CC1	REAL300030855542	1	54	0.0	-78.24	410.09	5.66	-72.58
O=C(C[NH+]1CCC(O)CC1)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030855553	1	53	0.0	-81.76	405.13	0.92	-80.84
C[N@H+](CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1CC1	REAL300030855554	0	49	0.0	-74.91	381.31	3.73	-71.18
C[N@@H+](CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1CC1	REAL300030855554	1	49	0.0	-75.56	381.46	3.74	-71.82
CC(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)N1CC[NH+](C)CC1	REAL300030855555	1	57	0.0	-76.14	425.31	2.17	-73.97
C[NH+]1CC(CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030855574	0	49	0.0	-77.51	383.50	3.16	-74.35
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1CC[N@@H+]1C1CCCC1	REAL300030855578	0	56	0.0	-77.75	424.49	5.28	-72.47
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1CC[N@H+]1C1CCCC1	REAL300030855578	1	56	0.0	-77.52	422.56	5.17	-72.35
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030855586	0	55	0.0	-76.29	395.94	3.92	-72.37
CC(C)(C)[N@H+]1CCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030855586	1	55	0.0	-75.02	397.69	3.52	-71.50
C[C@@H](C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)[NH+](C)C	REAL300030855597	0	48	0.0	-76.45	370.18	2.73	-73.72
CCC1CCC[N@H+](CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030855639	0	58	0.0	-78.31	425.88	5.47	-72.84
CCC1CCC[N@@H+](CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030855639	1	58	0.0	-78.25	433.08	5.45	-72.80
C[NH+](C)CC1=CC=C(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)N1	REAL300030855647	0	53	0.0	-87.45	418.57	3.80	-83.65
[NH2+]=C1SC=CN1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030855692	0	45	0.0	-74.10	379.13	2.51	-71.59
C[N@H+](CCO)CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030855702	0	52	0.0	-78.61	402.50	0.32	-78.29
C[N@@H+](CCO)CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030855702	1	52	0.0	-78.10	402.35	0.37	-77.73
C[C@@H](C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)[NH+](C)C	REAL300030855703	0	48	0.0	-76.45	370.18	2.73	-73.72
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030855707	0	52	0.0	-75.54	384.71	3.77	-71.77
C[N@H+]1CCCC[C@@H]1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030855707	1	52	0.0	-74.89	394.00	3.92	-70.97
CC1CN2CC[N@@H+]1CC2C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030855716	0	55	0.0	-81.71	404.90	1.34	-80.37
CC1CN2CC[N@H+]1CC2C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030855716	1	55	0.0	-83.30	404.81	1.38	-81.92
O=C(CC1=CC2=C[NH+]=CN2C=C1)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030855762	0	50	0.0	-75.67	406.46	6.52	-69.15
C[N@H+](CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1CCSC1	REAL300030855787	0	53	0.0	-83.77	411.40	4.58	-79.19
C[N@@H+](CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1CCSC1	REAL300030855787	1	53	0.0	-84.42	411.26	4.61	-79.81
O=C(C[NH+]1CCC1)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030855788	1	46	0.0	-77.89	362.15	2.75	-75.14
C[NH+](C)CC1=CC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)=CC=N1	REAL300030855818	1	54	0.0	-76.27	426.23	3.99	-72.28
C[N@@H+]1CCC(=CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030855820	0	50	0.0	-79.66	390.86	3.90	-75.76
C[N@H+]1CCC(=CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030855820	1	50	0.0	-79.86	389.92	3.93	-75.93
C[NH+](C)CCOCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030855854	0	52	0.0	-77.08	407.93	3.39	-73.69
CCCCC[N@H+](C)CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030855860	0	60	0.0	-80.28	456.51	5.90	-74.38
CCCCC[N@@H+](C)CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030855860	1	60	0.0	-80.36	456.65	5.84	-74.52
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)O1	REAL300030855869	0	56	0.0	-77.41	430.91	4.29	-73.12
C=CCC(C)(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)[NH+](C)C	REAL300030855876	0	55	0.0	-71.28	407.51	4.37	-66.91
C[S+](C)CCC(O)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030855881	0	51	0.0	-82.83	416.90	2.00	-80.83
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030855908	0	53	0.0	-82.34	399.69	0.66	-81.68
CN1CC[N@H+](C)CC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030855920	0	57	0.0	-74.98	422.35	2.50	-72.48
CN1CC[N@@H+](C)CC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030855920	1	57	0.0	-74.98	422.35	2.50	-72.48
CC(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)[N@@H+]1CCCC(O)C1	REAL300030855921	0	56	0.0	-75.91	420.90	1.49	-74.42
O=C(CN1CCC(CO)CC1)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030855931	0	56	0.0	-79.68	425.71	1.56	-78.12
O=C(C[NH+]1CCC(CO)CC1)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030855931	1	56	0.0	-79.68	425.71	1.56	-78.12
C[N@@H+]1CCCC(O)(CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030855940	0	56	0.0	-76.42	409.65	2.65	-73.77
C[N@H+]1CCCC(O)(CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030855940	1	56	0.0	-76.42	409.65	2.65	-73.77
CC1CN(CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030855943	0	49	0.0	-78.50	382.13	3.49	-75.01
CC1C[NH+](CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030855943	1	49	0.0	-78.50	382.13	3.49	-75.01
CN(CCO)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030855970	0	49	0.0	-78.34	380.13	-0.24	-78.58
C[N@H+](CCO)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030855970	1	49	0.0	-78.40	379.92	-0.23	-78.63
C[N@@H+](CCO)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030855970	1	49	0.0	-78.40	379.92	-0.23	-78.63
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1C[N@@H+]2CCN1CCC2	REAL300030855993	0	55	0.0	-85.78	398.84	2.15	-83.63
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1C[N@H+]2CCN1CCC2	REAL300030855993	1	55	0.0	-85.78	398.84	2.15	-83.63
CC[N@@H+]1CCCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030855999	0	55	0.0	-75.72	414.16	4.66	-71.06
CC[N@H+]1CCCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030855999	1	55	0.0	-75.72	414.16	4.66	-71.06
CC(CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C[NH+](C)C	REAL300030856001	0	54	0.0	-78.22	409.34	4.35	-73.87
CC[N@H+](C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856014	0	48	0.0	-77.61	369.77	3.00	-74.61
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C12CCC[N@@H+]1CCCC2	REAL300030856042	0	56	0.0	-72.26	407.34	4.86	-67.40
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C12CCC[N@H+]1CCCC2	REAL300030856042	1	56	0.0	-72.26	407.34	4.86	-67.40
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C12CCC[N@@H+]1CC=CC2	REAL300030856049	0	54	0.0	-78.57	397.92	5.33	-73.24
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C12CCC[N@H+]1CC=CC2	REAL300030856049	1	54	0.0	-78.57	397.92	5.33	-73.24
CC[N@H+](CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1CC1	REAL300030856070	0	52	0.0	-74.93	397.96	4.41	-70.52
CC[NH+](CC)CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856088	0	54	0.0	-78.11	405.65	3.98	-74.13
CC1(C)CN(CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030856113	0	52	0.0	-77.99	402.45	3.90	-74.09
CC1(C)C[NH+](CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030856113	1	52	0.0	-77.99	402.45	3.90	-74.09
CC1(O)CC[N@H+](CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030856141	0	53	0.0	-76.93	407.96	0.80	-76.13
C[NH+](C)CC=CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856148	0	49	0.0	-80.50	388.02	3.56	-76.94
CC(OCC[NH+](C)C)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856170	0	55	0.0	-75.47	427.72	4.08	-71.39
C[NH+](C)CCOCCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856179	0	55	0.0	-76.38	428.88	3.12	-73.26
COCCN(C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856180	0	52	0.0	-78.19	402.17	2.17	-76.02
COCC[N@H+](C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856180	1	52	0.0	-78.62	402.38	2.17	-76.45
COCC[N@@H+](C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856180	1	52	0.0	-78.62	402.38	2.17	-76.45
C[NH+](C)C1(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)CCCC1	REAL300030856216	0	55	0.0	-81.17	404.41	4.84	-76.33
CC(CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)[NH+](C)C	REAL300030856219	0	54	0.0	-76.56	409.41	4.09	-72.47
CCN1CCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856228	0	49	0.0	-75.89	376.60	3.00	-72.89
CC[N@@H+]1CCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856228	1	49	0.0	-76.67	383.68	3.37	-73.30
CC[N@H+]1CCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856228	1	49	0.0	-76.67	383.68	3.37	-73.30
CC(C)[N@@H+]1CCCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030856238	0	58	0.0	-74.78	430.89	5.17	-69.61
CC(C)[N@H+]1CCCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030856238	1	58	0.0	-74.78	430.89	5.17	-69.61
O=C(C[N@H+]1CCCC1CO)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856251	0	53	0.0	-77.28	404.91	0.95	-76.33
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1CC2CCCC[N@@H+]2C1	REAL300030856273	0	56	0.0	-79.30	419.53	5.04	-74.26
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1CC2CCCC[N@H+]2C1	REAL300030856273	1	56	0.0	-79.30	419.53	5.04	-74.26
C[NH+]1CCC(C)(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)CC1	REAL300030856279	0	55	0.0	-76.74	409.32	4.42	-72.32
C=CCC(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)[NH+](C)C	REAL300030856309	0	52	0.0	-74.21	395.73	3.82	-70.39
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856322	0	55	0.0	-74.21	417.66	4.60	-69.61
C[NH+](C)CCCCCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856326	0	57	0.0	-77.71	438.92	5.26	-72.45
CC1C[N@@H+]2CCN1C(C(=O)NCC1CCN(C(=O)C3=CC(=O)[N-]O3)C13CC3)C2	REAL300030856361	0	55	0.0	-85.16	405.12	1.36	-83.80
CCCC(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)[NH+](C)C	REAL300030856362	0	54	0.0	-76.68	404.08	4.10	-72.58
C[NH+](C)C(C)(C)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856366	0	51	0.0	-81.84	379.75	3.47	-78.37
C[N@@H+]1CCCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856408	0	52	0.0	-75.01	384.67	3.78	-71.23
C[N@H+]1CC=C(CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)CC1	REAL300030856448	0	53	0.0	-73.83	411.02	4.70	-69.13
C[N@@H+]1CC=C(CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)CC1	REAL300030856448	1	53	0.0	-73.83	411.02	4.70	-69.13
O=C(CC1([NH+]2CCCC2)CC1)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856457	0	56	0.0	-74.08	417.15	5.08	-69.00
CN(C)CC1=CC=C(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)O1	REAL300030856506	0	52	0.0	-82.86	416.58	4.14	-78.72
C[NH+](C)CC1=CC=C(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)O1	REAL300030856506	1	52	0.0	-82.86	416.58	4.14	-78.72
O=C(C=CC[NH+]1CCCC1)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856523	0	53	0.0	-79.86	414.35	4.76	-75.10
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1CC[NH+](C2CC2)CC1	REAL300030856547	0	56	0.0	-78.84	421.47	5.21	-73.63
O=C(CC[NH+]1CCCC1)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856570	0	52	0.0	-78.13	400.38	4.06	-74.07
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1C[NH+]2CCN1CC2	REAL300030856608	0	52	0.0	-84.89	388.42	0.83	-84.06
C[N@@H+]1CC2CC1(C(=O)NCC1CCN(C(=O)C3=CC(=O)[N-]O3)C13CC3)C2	REAL300030856618	0	50	0.0	-79.93	383.40	3.49	-76.44
O=C(C[N@@H+]1CC2CCC1C2)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856632	0	53	0.0	-75.07	396.45	4.25	-70.82
O=C(C[N@H+]1CC2CCC1C2)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856632	1	53	0.0	-75.07	396.45	4.25	-70.82
O=C(C=C1C[NH+]2CCC1CC2)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856673	0	54	0.0	-72.69	408.19	4.73	-67.96
O=C(CN1CC2C=CC1C2)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856683	0	51	0.0	-76.15	391.28	4.36	-71.79
O=C(C[N@@H+]1CC2C=CC1C2)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856683	1	51	0.0	-74.29	391.20	4.22	-70.07
O=C(C[N@H+]1CC2C=CC1C2)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856683	1	51	0.0	-74.29	391.20	4.22	-70.07
CC(C[NH+](C)C)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856735	0	51	0.0	-78.03	390.46	3.61	-74.42
C[N@@H+]1CCCCC1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856813	0	55	0.0	-71.55	403.78	4.41	-67.14
C[N@H+]1CCCCC1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856813	1	55	0.0	-71.55	403.78	4.41	-67.14
CC1=C2C=C(C(=O)NCC3CCN(C(=O)C4=CC(=O)[N-]O4)C34CC4)C=CN2C=N1	REAL300030856829	0	50	0.0	-79.95	404.27	6.46	-73.49
CC1=C2C=C(C(=O)NCC3CCN(C(=O)C4=CC(=O)[N-]O4)C34CC4)C=CN2C=[NH+]1	REAL300030856829	1	50	0.0	-79.95	404.27	6.46	-73.49
CC(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)N1CC(C)C1	REAL300030856830	0	52	0.0	-74.72	400.79	4.02	-70.70
CC(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)[NH+]1CC(C)C1	REAL300030856830	1	52	0.0	-74.72	400.79	4.02	-70.70
CC1CCN1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856833	0	49	0.0	-75.54	377.85	3.16	-72.38
CC1CC[N@@H+]1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856833	1	49	0.0	-76.59	383.40	3.42	-73.17
CC1CC[N@H+]1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856833	1	49	0.0	-76.59	383.40	3.42	-73.17
C[NH+](C)CC(O)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856838	0	52	0.0	-81.72	404.76	1.34	-80.38
CC1C[N@H+](C)CC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)O1	REAL300030856866	1	53	0.0	-88.63	410.64	3.54	-85.09
CC1C[N@@H+](C)CC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)O1	REAL300030856866	1	53	0.0	-80.59	403.51	3.39	-77.20
O=C(CC[NH+]1CCC(O)CC1)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856875	0	56	0.0	-82.01	426.68	1.38	-80.63
CCC[N@@H+]1CCCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856877	0	58	0.0	-74.29	423.74	5.22	-69.07
CCC[N@H+]1CCCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856877	1	58	0.0	-74.24	433.34	5.31	-68.93
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030856956	0	52	0.0	-76.66	401.48	4.11	-72.55
CC(CC[NH+](C)C)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856964	0	54	0.0	-77.57	412.09	4.23	-73.34
C[N@H+](CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)[C@@H]1CCC[C@H]1O	REAL300030856985	0	56	0.0	-75.46	422.92	1.60	-73.86
C[N@@H+](CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)[C@@H]1CCC[C@H]1O	REAL300030856985	1	56	0.0	-75.86	422.84	1.71	-74.15
C#CC[N@H+]1CCCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856994	1	54	0.0	-75.28	419.32	5.14	-70.14
C#CC[N@@H+]1CCCCC1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856994	1	54	0.0	-75.60	409.90	4.99	-70.61
C[NH+]1CCN(CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)CC1	REAL300030856997	1	54	0.0	-76.91	411.07	1.83	-75.08
CC[NH+]1CCN(CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)CC1	REAL300030857006	0	57	0.0	-75.75	428.30	2.47	-73.28
NC(=[NH2+])SCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030857032	0	43	0.0	-79.39	360.58	-0.80	-80.19
CC[N@@H+]1CCOCC1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030857069	0	56	0.0	-78.86	415.73	2.66	-76.20
C[NH+](C)C1CCC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)CC1	REAL300030857085	0	58	0.0	-80.43	430.86	5.20	-75.23
C[NH+](C)CCC1(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)CC1	REAL300030857086	0	55	0.0	-82.70	426.51	4.86	-77.84
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)CC1	REAL300030857088	0	58	0.0	-71.64	424.42	5.04	-66.60
C[N@@H+]1CC=CCC1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030857089	0	53	0.0	-72.13	398.05	4.38	-67.75
C[N@H+]1CC=CCC1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030857089	1	53	0.0	-72.13	398.05	4.38	-67.75
C[C@@H](OCC[NH+](C)C)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030857112	0	55	0.0	-75.47	427.70	4.09	-71.38
C[NH+]1C2CCC1CC(C(=O)NCC1CCN(C(=O)C3=CC(=O)[N-]O3)C13CC3)C2	REAL300030857140	0	56	0.0	-76.80	394.85	4.95	-71.85
CC(C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)[NH+]1CCSCC1	REAL300030857250	1	53	0.0	-78.63	411.22	4.33	-74.30
CCC1C[NH+](CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030857252	1	52	0.0	-78.88	404.69	4.18	-74.70
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1([NH+]2CCCC2)CCC1	REAL300030857254	0	56	0.0	-71.68	414.25	5.11	-66.57
C[N@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030857263	1	49	0.0	-77.56	372.02	2.89	-74.67
O=C(CC[N@@H+]1CCC(F)C1)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030857270	1	52	0.0	-83.06	406.10	4.09	-78.97
COC1C[N@@H+](C)C(C)(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030857278	1	56	0.0	-80.52	422.33	2.80	-77.72
O=C(CC[NH+]1CCCCCC1)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030857287	0	58	0.0	-80.19	426.07	4.95	-75.24
O=C(C[NH+]1CCCCC1)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030857289	0	52	0.0	-77.63	393.77	4.20	-73.43
CC1C(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)CC[N@@H+]1C	REAL300030857299	0	52	0.0	-76.29	393.12	3.57	-72.72
CC1C(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)CC[N@H+]1C	REAL300030857299	1	52	0.0	-78.92	389.66	3.59	-75.33
C[N@@H+]1CCCCC1CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030857301	0	58	0.0	-75.89	433.12	5.25	-70.64
C[N@H+]1CCCCC1CCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030857301	1	58	0.0	-75.26	433.23	5.32	-69.94
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1CC[N@@H+]2CCOCC12	REAL300030857331	0	54	0.0	-80.68	411.05	2.62	-78.06
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1CC[N@H+]2CCOCC12	REAL300030857331	1	54	0.0	-81.28	410.91	2.65	-78.63
CC1=[NH+]C=C2C=CC(C(=O)NCC3CCN(C(=O)C4=CC(=O)[N-]O4)C34CC4)=CN21	REAL300030857336	0	50	0.0	-74.09	403.63	5.61	-68.48
CN1CCOCC1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030857353	0	53	0.0	-74.96	395.28	2.04	-72.92
C[N@@H+]1CCOCC1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030857353	1	53	0.0	-74.92	395.17	2.00	-72.92
C[N@H+]1CCOCC1CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030857353	1	53	0.0	-74.96	395.28	2.04	-72.92
CC1=C(C)[NH+]=C(CCC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)N1	REAL300030857361	1	53	0.0	-72.30	422.15	3.67	-68.63
C[N@@H+]1CCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030857533	0	49	0.0	-69.65	373.51	3.00	-66.65
C[N@H+]1CCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030857533	1	49	0.0	-68.70	373.41	3.00	-65.70
CC1=[NH+]C=CN1CCCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030857719	1	53	0.0	-68.96	425.88	5.43	-63.53
C[NH+](C)CC1=CC=C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C=C1	REAL300030857724	0	55	0.0	-79.97	429.33	5.59	-74.38
O=C(CC[NH+]1CCOCC1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030857725	1	53	0.0	-75.20	410.20	2.53	-72.67
O=C(NCC1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C12CC2)C1=CC(=O)[N-]O1	REAL300030857751	1	47	0.0	-75.56	390.04	5.83	-69.73
C[NH+](C)C1CCCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030857803	0	58	0.0	-66.27	422.82	4.87	-61.40
C[N@@H+]1CCC(CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030857806	0	52	0.0	-73.99	401.36	4.11	-69.88
C[N@H+]1CCC(CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030857806	1	52	0.0	-72.62	401.05	4.13	-68.49
CCC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2)[NH+](C)C	REAL300030857821	0	51	0.0	-69.29	383.87	3.53	-65.76
C[NH+](C)CCCCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030857880	0	54	0.0	-73.68	420.41	4.61	-69.07
CCC[N@H+](C)CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030857900	0	54	0.0	-73.21	416.53	4.49	-68.72
CCC[N@@H+](C)CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030857900	1	54	0.0	-73.36	416.64	4.43	-68.93
CCC[N@H+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030857904	0	51	0.0	-70.62	394.16	3.92	-66.70
CCC[N@@H+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030857904	1	51	0.0	-70.55	394.08	3.91	-66.64
O=C(NCC1CCN(C(=O)C23CC[N@H+](C2)CCC3)C12CC2)C1=CC(=O)[N-]O1	REAL300030857922	0	53	0.0	-78.18	386.91	3.24	-74.94
O=C(NCC1CCN(C(=O)C23CC[N@@H+](C2)CCC3)C12CC2)C1=CC(=O)[N-]O1	REAL300030857922	1	53	0.0	-75.28	387.06	3.32	-71.96
CCCCCC[N@H+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030857951	0	60	0.0	-71.89	458.66	6.26	-65.63
CCCCCC[N@@H+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030857951	1	60	0.0	-71.84	458.66	6.26	-65.58
CC1CC[NH+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)CC1	REAL300030857986	0	55	0.0	-70.72	417.50	4.97	-65.75
C[NH+]1CCC(OCC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)CC1	REAL300030858008	0	56	0.0	-77.62	434.87	4.54	-73.08
O=C(NCC1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C12CC2)C1=CC(=O)[N-]O1	REAL300030858046	0	56	0.0	-71.09	418.77	5.04	-66.05
O=C(NCC1CCN(C(=O)C2CC3CCCC[N@H+]3C2)C12CC2)C1=CC(=O)[N-]O1	REAL300030858046	1	56	0.0	-73.84	420.38	5.05	-68.79
C[NH+](C)CC1(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)CC1	REAL300030858056	0	52	0.0	-71.01	404.92	4.06	-66.95
CC1=[NH+]C=C2CCC(C(=O)N3CCC(CNC(=O)C4=CC(=O)[N-]O4)C34CC4)CN21	REAL300030858057	1	54	0.0	-66.00	418.52	4.87	-61.13
CC(C)[NH+]1CCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)CC1	REAL300030858067	0	58	0.0	-73.45	429.48	5.07	-68.38
CC[N@H+](C)CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030858089	0	51	0.0	-72.51	395.03	3.74	-68.77
CC[N@@H+](C)CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030858089	1	51	0.0	-72.52	395.03	3.74	-68.78
O=C(NCC1CCN(C(=O)C2C[NH+]3CCC2CC3)C12CC2)C1=CC(=O)[N-]O1	REAL300030858119	0	53	0.0	-75.42	391.72	4.04	-71.38
C[NH+]1CCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)CC1	REAL300030858187	0	52	0.0	-76.13	395.17	3.89	-72.24
CC[NH+](CC)CC(F)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030858275	0	54	0.0	-70.55	412.71	4.14	-66.41
CC(C)C[N@@H+]1CCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030858302	0	58	0.0	-74.04	438.83	5.35	-68.69
CC(C)C[N@H+]1CCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030858302	1	58	0.0	-71.19	439.13	5.39	-65.80
CCC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2)[NH+](CC)CC	REAL300030858327	0	57	0.0	-64.32	415.37	4.41	-59.91
CC1CCC[N@@H+]1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030858343	0	52	0.0	-67.03	393.48	3.85	-63.18
CC1CCC[N@H+]1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030858343	1	52	0.0	-66.96	393.60	3.86	-63.10
CC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2)[NH+]1CCCCCC1	REAL300030858404	0	58	0.0	-66.78	423.24	4.83	-61.95
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030858423	0	55	0.0	-66.01	410.08	4.39	-61.62
CC(C)[N@H+]1CCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030858423	1	55	0.0	-66.00	411.29	4.39	-61.61
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030858428	0	58	0.0	-63.59	424.58	5.03	-58.56
CC(C)[N@H+]1CCCC1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030858428	1	58	0.0	-64.65	425.61	4.65	-60.00
CC1CC[N@H+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030858458	0	52	0.0	-69.48	401.24	4.09	-65.39
CC1CC[N@@H+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030858458	1	52	0.0	-69.71	400.11	4.23	-65.48
CC1=[NH+]C=C2CC(C(=O)N3CCC(CNC(=O)C4=CC(=O)[N-]O4)C34CC4)CCN21	REAL300030858459	1	54	0.0	-68.57	424.41	5.15	-63.42
CC1(C)CC[N@H+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030858462	0	55	0.0	-69.96	420.19	4.67	-65.29
CC1(C)CC[N@@H+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030858462	1	55	0.0	-69.67	419.98	4.69	-64.98
C[N@H+](CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2)CC(C)(C)C	REAL300030858463	0	57	0.0	-70.23	424.48	4.98	-65.25
C[N@@H+](CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2)CC(C)(C)C	REAL300030858463	1	57	0.0	-70.05	424.68	5.05	-65.00
CC[C@@H](C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2)[NH+](C)C	REAL300030858470	0	51	0.0	-67.02	381.33	3.31	-63.71
CN(CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2)C1=CC=[NH+]C=C1	REAL300030858585	0	54	0.0	-68.07	429.67	4.19	-63.88
CC1=[NH+]C=CN1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030858663	1	47	0.0	-67.26	384.33	4.11	-63.15
CC(C[NH+]1CCOCC1)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030858665	1	56	0.0	-73.30	421.99	2.91	-70.39
O=C(CCC[NH+]1CCCCC1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030858679	0	58	0.0	-71.89	439.98	5.72	-66.17
C[NH+](C)CC1=CC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)=NO1	REAL300030858692	1	51	0.0	-78.07	410.01	3.70	-74.37
CC1=C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C=CC2=C[NH+]=CN21	REAL300030858693	0	50	0.0	-72.48	404.75	6.19	-66.29
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030858726	1	53	0.0	-65.72	420.68	5.22	-60.50
O=C(NCC1CCN(C(=O)C2CCCC3CCC[N@@H+]32)C12CC2)C1=CC(=O)[N-]O1	REAL300030858759	0	56	0.0	-64.30	419.85	5.12	-59.18
O=C(NCC1CCN(C(=O)C2CCCC3CCC[N@H+]32)C12CC2)C1=CC(=O)[N-]O1	REAL300030858759	1	56	0.0	-63.63	415.06	4.98	-58.65
CC[N@@H+]1CCOC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030858778	1	53	0.0	-80.64	405.49	3.30	-77.34
CC[N@H+]1CCOC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030858778	1	53	0.0	-78.89	406.29	3.29	-75.60
O=C(NCC1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C12CC2)C1=CC(=O)[N-]O1	REAL300030858818	0	47	0.0	-74.43	389.94	5.82	-68.61
CC1=C[NH+]=CN1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030858823	1	47	0.0	-69.39	384.66	4.84	-64.55
C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)CC[N@@H+]1C	REAL300030858837	0	52	0.0	-74.07	391.10	3.45	-70.62
C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)CC[N@H+]1C	REAL300030858837	1	52	0.0	-73.13	397.34	3.66	-69.47
CC[C@@H]1[C@@H](C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)CC[N@@H+]1C	REAL300030858841	0	55	0.0	-72.96	408.85	3.97	-68.99
CC[C@@H]1[C@@H](C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)CC[N@H+]1C	REAL300030858841	1	55	0.0	-71.77	413.80	4.29	-67.48
CC1CCC(C)[NH+]1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030858851	0	55	0.0	-66.32	412.22	4.37	-61.95
O=C(CCC[NH+]1CCCC1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030858857	0	55	0.0	-71.80	424.76	5.06	-66.74
C[NH+](C)CC1=CC=CC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)=C1	REAL300030858858	0	55	0.0	-74.26	429.31	5.53	-68.73
C#CC[NH+]1CCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)CC1	REAL300030858863	0	54	0.0	-75.85	423.26	5.17	-70.68
O=C(CC[NH+]1CCCCC1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030858864	0	55	0.0	-71.77	418.94	4.96	-66.81
O=C(CN1C=[NH+]C2=C1CCCC2)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030858875	1	54	0.0	-68.48	426.44	6.55	-61.93
C[NH+](C)C1(CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)CCCC1	REAL300030858902	0	58	0.0	-73.64	418.82	4.91	-68.73
C[N@H+](CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2)C1CCC1	REAL300030859036	0	52	0.0	-68.28	401.03	4.48	-63.80
C[N@@H+](CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2)C1CCC1	REAL300030859036	1	52	0.0	-68.42	401.13	4.48	-63.94
CC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2)[NH+]1C(C)CCC1C	REAL300030859054	0	58	0.0	-64.02	423.08	4.67	-59.35
O=C(CCCC[NH+]1CCCC1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030859067	0	58	0.0	-72.63	444.58	5.73	-66.90
C[N@H+](CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2)CC1=CC=CC=C1	REAL300030859069	1	55	0.0	-74.92	431.59	6.10	-68.82
C[N@@H+](CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2)CC1=CC=CC=C1	REAL300030859069	1	55	0.0	-74.86	431.59	6.10	-68.76
C[NH+]1CCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)CC1	REAL300030859080	0	52	0.0	-76.13	395.17	3.89	-72.24
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030859115	0	49	0.0	-68.89	373.48	2.95	-65.94
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030859115	1	49	0.0	-67.47	376.27	3.29	-64.18
C[N@@H+]1CCCC1CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030859141	0	55	0.0	-74.35	422.41	4.97	-69.38
C[N@H+]1CCCC1CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030859141	1	55	0.0	-70.46	416.81	4.55	-65.91
O=C(NCC1CCN(C(=O)C2CCC3CCCC[N@@H+]32)C12CC2)C1=CC(=O)[N-]O1	REAL300030859155	0	56	0.0	-65.34	420.61	5.24	-60.10
O=C(NCC1CCN(C(=O)C2CCC3CCCC[N@H+]32)C12CC2)C1=CC(=O)[N-]O1	REAL300030859155	1	56	0.0	-65.32	418.97	5.21	-60.11
CCC[N@@H+]1CCCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030859215	0	58	0.0	-65.07	428.16	5.41	-59.66
CCC[N@H+]1CCCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030859215	1	58	0.0	-70.74	434.37	5.19	-65.55
CC(C)[N@@H+]1CCOC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030859228	1	56	0.0	-68.55	415.52	3.68	-64.87
CC(C)[N@H+]1CCOC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030859228	1	56	0.0	-68.91	415.32	3.59	-65.32
O=C(C[NH+]1CCC(CO)CC1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030859285	0	56	0.0	-71.90	428.36	1.66	-70.24
CC1C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)CC[N@@H+]1C	REAL300030859328	0	52	0.0	-70.68	394.03	3.55	-67.13
CC1C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)CC[N@H+]1C	REAL300030859328	1	52	0.0	-70.64	394.32	3.56	-67.08
C[N@@H+]1CCCCC1CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030859330	0	58	0.0	-70.04	435.92	5.44	-64.60
C[N@H+]1CCCCC1CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030859330	1	58	0.0	-70.31	436.38	5.41	-64.90
NC1=[NH+]C2=C(C=C1C(=O)N1CCC(CNC(=O)C3=CC(=O)[N-]O3)C13CC3)CCC2	REAL300030859356	1	52	0.0	-62.86	407.98	3.13	-59.73
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030859405	0	55	0.0	-67.44	394.73	3.48	-63.96
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030859405	1	55	0.0	-66.26	395.12	3.56	-62.70
C[C@@H](C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2)[NH+](C)C	REAL300030859423	0	48	0.0	-68.82	371.56	2.80	-66.02
C[NH+](C)CC1=CC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)=CC=N1	REAL300030859437	1	54	0.0	-71.52	424.73	3.67	-67.85
C=CCC(C)(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2)[NH+](C)C	REAL300030859441	0	55	0.0	-64.51	400.37	4.05	-60.46
O=C(CC[NH+]1CCCC1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030859466	0	52	0.0	-72.47	401.66	4.14	-68.33
C[N@H+](CCO)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030859475	1	49	0.0	-70.99	383.01	-0.07	-71.06
C[N@@H+](CCO)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030859475	1	49	0.0	-70.90	382.77	-0.06	-70.96
O=C(NCC1CCN(C(=O)C2C[N@@H+]3CCN2CCC3)C12CC2)C1=CC(=O)[N-]O1	REAL300030859508	0	55	0.0	-76.58	396.92	1.38	-75.20
O=C(NCC1CCN(C(=O)C2C[N@H+]3CCN2CCC3)C12CC2)C1=CC(=O)[N-]O1	REAL300030859508	1	55	0.0	-81.02	398.19	1.90	-79.12
CC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2)[NH+]1CCSCC1	REAL300030859527	1	53	0.0	-73.18	407.15	4.19	-68.99
C[N@H+]1CC=C(CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)CC1	REAL300030859560	0	53	0.0	-70.21	413.98	4.85	-65.36
C[N@@H+]1CC=C(CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)CC1	REAL300030859560	1	53	0.0	-68.54	413.99	4.84	-63.70
C[S+](C)CCC(O)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030859572	0	51	0.0	-77.30	415.44	1.82	-75.48
CN1CC[N@H+](C)CC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030859601	0	57	0.0	-68.22	423.23	2.28	-65.94
CN1CC[N@@H+](C)CC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030859601	1	57	0.0	-74.43	425.98	2.35	-72.08
CC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2)[N@@H+]1CCCC(O)C1	REAL300030859602	0	56	0.0	-69.89	424.25	1.28	-68.61
CC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2)[N@H+]1CCCC(O)C1	REAL300030859602	1	56	0.0	-69.62	424.88	1.28	-68.34
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030859633	0	56	0.0	-70.14	422.41	2.84	-67.30
C[N@H+]1CCCC(O)(CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030859633	1	56	0.0	-70.68	412.72	2.65	-68.03
CC1C[NH+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030859637	1	49	0.0	-71.22	385.08	3.60	-67.62
CC[N@@H+]1CCCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030859642	0	55	0.0	-69.98	412.74	4.49	-65.49
CC[N@H+]1CCCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030859642	1	55	0.0	-64.69	406.60	4.66	-60.03
NC1=[NH+]C=CC=C1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030859648	0	48	0.0	-67.21	389.15	2.31	-64.90
O=C(NCC1CCN(C(=O)C2CCC[N@@H+]2C2CC2)C12CC2)C1=CC(=O)[N-]O1	REAL300030859659	0	53	0.0	-65.64	409.78	4.79	-60.85
O=C(NCC1CCN(C(=O)C2CCC[N@H+]2C2CC2)C12CC2)C1=CC(=O)[N-]O1	REAL300030859659	1	53	0.0	-67.31	401.61	4.20	-63.11
O=C(C=CC[NH+]1CCCC1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030859698	0	53	0.0	-74.47	416.23	4.89	-69.58
O=C(NCC1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C12CC2)C1=CC(=O)[N-]O1	REAL300030859719	0	56	0.0	-73.35	420.01	5.08	-68.27
CC[N@H+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030859755	0	48	0.0	-70.25	372.58	3.17	-67.08
O=C(CN1CC2C=CC1C2)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030859807	0	51	0.0	-68.50	394.66	4.43	-64.07
O=C(C[N@@H+]1CC2C=CC1C2)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030859807	1	51	0.0	-68.46	393.95	4.44	-64.02
O=C(C[N@H+]1CC2C=CC1C2)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030859807	1	51	0.0	-68.46	393.95	4.44	-64.02
CC1=CC=C(NCCC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)N=C1	REAL300030859827	0	54	0.0	-67.12	433.80	3.92	-63.20
CC1=CC=C(NCCC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)[NH+]=C1	REAL300030859827	1	54	0.0	-67.12	433.80	3.92	-63.20
O=C(NCC1CCN(C(=O)C2C[NH+]3CCN2CC3)C12CC2)C1=CC(=O)[N-]O1	REAL300030859881	0	52	0.0	-76.23	387.32	0.57	-75.66
CC(OCC[NH+](C)C)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030859933	0	55	0.0	-69.74	426.64	4.01	-65.73
C[NH+](C)CCOCCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030859943	0	55	0.0	-71.44	431.69	3.32	-68.12
COCC[N@H+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030859945	1	52	0.0	-70.81	405.05	2.32	-68.49
COCC[N@@H+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030859945	1	52	0.0	-71.22	405.27	2.34	-68.88
O=C(NCC1CCN(C(=O)C2C[NH+](C3CCOC3)C2)C12CC2)C1=CC(=O)[N-]O1	REAL300030859946	0	54	0.0	-76.53	421.04	2.87	-73.66
CC(CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2)[NH+](C)C	REAL300030859951	0	54	0.0	-71.17	412.15	4.25	-66.92
C[NH+]1CCC(=CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)CC1	REAL300030859968	0	53	0.0	-72.46	407.54	4.71	-67.75
CC[N@H+](CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2)C1CC1	REAL300030859975	0	52	0.0	-66.71	403.47	4.52	-62.19
CC[N@@H+](CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2)C1CC1	REAL300030859975	1	52	0.0	-67.54	401.74	4.53	-63.01
CC1C[N@@H+]2CCN1C(C(=O)N1CCC(CNC(=O)C3=CC(=O)[N-]O3)C13CC3)C2	REAL300030859985	0	55	0.0	-70.43	394.70	3.27	-67.16
CC1C[N@H+]2CCN1C(C(=O)N1CCC(CNC(=O)C3=CC(=O)[N-]O3)C13CC3)C2	REAL300030859985	1	55	0.0	-76.66	403.76	1.18	-75.48
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860014	1	52	0.0	-70.61	418.95	3.16	-67.45
O=C(C[N@@H+]1CC2CCC1C2)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860020	0	53	0.0	-68.41	401.65	4.54	-63.87
O=C(C[N@H+]1CC2CCC1C2)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860020	1	53	0.0	-68.24	401.29	4.58	-63.66
CC(C[NH+](C)C)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860039	0	51	0.0	-72.26	388.78	3.46	-68.80
C[C@H](C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2)[NH+](C)C	REAL300030860073	0	48	0.0	-69.14	371.96	2.78	-66.36
CC[N@@H+]1CCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860082	0	49	0.0	-68.03	378.39	3.14	-64.89
CC[N@H+]1CCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860082	1	49	0.0	-70.03	386.34	3.44	-66.59
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030860092	0	58	0.0	-64.15	423.24	5.18	-58.97
CC(C)[N@H+]1CCCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030860092	1	58	0.0	-69.48	432.89	5.16	-64.32
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860103	0	57	0.0	-66.84	415.95	2.79	-64.05
C#CC[N@H+]1CCCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860144	1	54	0.0	-66.29	420.83	5.22	-61.07
C#CC[N@@H+]1CCCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860144	1	54	0.0	-67.01	419.93	5.18	-61.83
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860145	1	51	0.0	-64.64	403.48	3.02	-61.62
NC1=CC=[NH+]C=C1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860146	0	45	0.0	-72.27	362.23	0.34	-71.93
CCCC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2)[NH+](C)C	REAL300030860155	0	54	0.0	-67.58	403.15	4.13	-63.45
CC(CC[NH+](C)C)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860177	0	54	0.0	-72.37	410.63	4.10	-68.27
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860273	0	55	0.0	-66.48	417.64	4.44	-62.04
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860273	1	55	0.0	-68.13	413.32	4.10	-64.03
C[NH+](C)CCCCCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860278	0	57	0.0	-72.97	441.91	5.39	-67.58
O=C(CC[NH+]1CCC(O)CC1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860282	0	56	0.0	-75.45	429.58	1.58	-73.87
CCC[N@@H+]1CCCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860285	0	58	0.0	-67.16	422.97	4.91	-62.25
CCC[N@H+]1CCCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860285	1	58	0.0	-66.05	434.81	5.39	-60.66
C[NH+]1CCN(CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)CC1	REAL300030860294	1	54	0.0	-71.40	413.87	1.98	-69.42
CC1C[N@H+](C)CC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)O1	REAL300030860385	1	53	0.0	-81.75	402.53	2.98	-78.77
CC1C[N@@H+](C)CC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)O1	REAL300030860385	1	53	0.0	-71.82	401.93	3.18	-68.64
CCC1CCC[N@H+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030860415	0	58	0.0	-70.68	436.04	5.56	-65.12
CCC1CCC[N@@H+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030860415	1	58	0.0	-70.64	429.00	5.53	-65.11
C[NH+](C)CC1=CC=C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)N1	REAL300030860423	0	53	0.0	-81.71	417.26	3.83	-77.88
O=C(C[NH+]1CC2CC2C1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860437	0	50	0.0	-70.40	390.58	4.37	-66.03
O=C(CC1([NH+]2CCCC2)CC1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860450	0	56	0.0	-67.68	419.95	5.27	-62.41
C[N@@H+]1CCCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860482	0	52	0.0	-67.21	395.42	3.99	-63.22
C[N@H+]1CCCCC1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860482	1	52	0.0	-66.54	395.51	4.00	-62.54
C[N@@H+]1CCC(=CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030860582	0	50	0.0	-74.83	392.91	3.97	-70.86
C[N@H+]1CCC(=CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030860582	1	50	0.0	-74.69	392.76	4.04	-70.65
O=C(CNC1=CC=[NH+]C=C1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860587	0	48	0.0	-70.92	390.65	1.77	-69.15
CC[NH+]1CCN(CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)CC1	REAL300030860636	0	57	0.0	-70.16	431.61	2.66	-67.50
O=C(C=C1C[NH+]2CCC1CC2)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860637	0	54	0.0	-67.43	410.46	4.92	-62.51
C[N@H+](CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2)[C@@H]1CCC[C@H]1O	REAL300030860676	0	56	0.0	-66.05	425.60	1.84	-64.21
C[N@@H+](CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2)[C@@H]1CCC[C@H]1O	REAL300030860676	1	56	0.0	-68.42	425.87	1.83	-66.59
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860693	0	49	0.0	-67.78	378.44	3.31	-64.47
C[N@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860693	1	49	0.0	-68.65	373.41	2.99	-65.66
CCN1CCOCC1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860721	0	56	0.0	-72.19	418.93	2.85	-69.34
CC[N@@H+]1CCOCC1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860721	1	56	0.0	-74.40	422.63	2.96	-71.44
CC[N@H+]1CCOCC1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860721	1	56	0.0	-74.40	422.63	2.96	-71.44
NC1=NC2=CC(C(=O)N3CCC(CNC(=O)C4=CC(=O)[N-]O4)C34CC4)=CC=C2N1	REAL300030860797	0	49	0.0	-73.61	395.68	3.28	-70.33
NC1=[NH+]C2=CC(C(=O)N3CCC(CNC(=O)C4=CC(=O)[N-]O4)C34CC4)=CC=C2N1	REAL300030860797	1	49	0.0	-73.61	395.68	3.28	-70.33
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030860830	0	52	0.0	-71.39	404.14	4.19	-67.20
C[NH+](C)C1CCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)CC1	REAL300030860844	0	58	0.0	-76.23	429.34	5.01	-71.22
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)CC1	REAL300030860846	0	58	0.0	-68.87	422.95	4.84	-64.03
C[N@@H+]1CC=CCC1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860847	0	53	0.0	-74.27	405.74	4.56	-69.71
C[N@H+]1CC=CCC1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860847	1	53	0.0	-74.11	406.57	4.53	-69.58
CC1=CC(C=CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)=C[NH+]=C1N	REAL300030860894	1	52	0.0	-73.58	419.15	3.46	-70.12
C[NH+](C)CCOCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860906	0	52	0.0	-71.36	410.92	3.47	-67.89
CCCCC[N@H+](C)CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860912	0	60	0.0	-74.22	459.52	6.05	-68.17
CCCCC[N@@H+](C)CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860912	1	60	0.0	-74.24	459.44	6.03	-68.21
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)O1	REAL300030860922	0	56	0.0	-71.88	431.95	4.26	-67.62
[NH2+]=C1SC=CN1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860940	0	45	0.0	-66.65	382.00	2.68	-63.97
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030861002	0	55	0.0	-68.79	426.00	3.93	-64.86
O=C(CC[NH+]1CCCCCC1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030861036	0	58	0.0	-73.62	428.95	5.15	-68.47
C[N@@H+]1CCCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030861042	0	52	0.0	-65.33	389.03	3.96	-61.37
C[N@H+]1CCCC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030861042	1	52	0.0	-65.33	389.03	3.96	-61.37
O=C(C[NH+]1CCCCCC1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030861046	0	55	0.0	-70.31	407.82	4.88	-65.43
CN1C=C[N+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)=C1	REAL300030861051	0	47	0.0	-68.38	386.18	6.01	-62.37
CN(C)CC1=CC=C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)O1	REAL300030861066	0	52	0.0	-78.94	416.55	4.30	-74.64
C[NH+](C)CC1=CC=C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)O1	REAL300030861066	1	52	0.0	-78.94	416.55	4.30	-74.64
C[N@H+](CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2)C1CC1	REAL300030861087	0	49	0.0	-68.03	384.32	3.91	-64.12
CC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2)N1CCN(C)CC1	REAL300030861089	0	57	0.0	-70.93	424.38	2.09	-68.84
CC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2)N1CC[NH+](C)CC1	REAL300030861089	1	57	0.0	-70.93	424.38	2.09	-68.84
O=C(CC[N@H+]1CCC(F)C1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030861092	0	52	0.0	-76.85	409.03	4.23	-72.62
CC(CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2)C[NH+](C)C	REAL300030861116	0	54	0.0	-72.82	412.23	4.50	-68.32
O=C(NCC1CCN(C(=O)C2CC[N@@H+]3CCOCC23)C12CC2)C1=CC(=O)[N-]O1	REAL300030861131	0	54	0.0	-68.82	406.66	2.64	-66.18
O=C(NCC1CCN(C(=O)C2CC[N@H+]3CCOCC23)C12CC2)C1=CC(=O)[N-]O1	REAL300030861131	1	54	0.0	-68.82	406.66	2.64	-66.18
CN1CCOCC1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030861153	0	53	0.0	-77.08	405.93	2.30	-74.78
C[N@@H+]1CCOCC1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030861153	1	53	0.0	-76.88	405.80	2.35	-74.53
C[N@H+]1CCOCC1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030861153	1	53	0.0	-76.88	405.80	2.35	-74.53
CC1=CC(N)=NC=C1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030861202	0	48	0.0	-72.62	383.91	1.66	-70.96
CC1=CC(N)=[NH+]C=C1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030861202	1	48	0.0	-72.62	383.91	1.66	-70.96
CC1(O)CC[N@H+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030861239	0	53	0.0	-71.00	411.19	0.83	-70.17
C[NH+]1CC(CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030861272	0	49	0.0	-71.89	386.23	3.35	-68.54
O=C(NCC1CCN(C(=O)C2CC[N@@H+]2C2CCCC2)C12CC2)C1=CC(=O)[N-]O1	REAL300030861277	0	56	0.0	-68.57	419.58	4.87	-63.70
O=C(NCC1CCN(C(=O)C2CC[N@H+]2C2CCCC2)C12CC2)C1=CC(=O)[N-]O1	REAL300030861277	1	56	0.0	-68.57	419.58	4.87	-63.70
C[N@H+](CCO)CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030861312	0	52	0.0	-71.81	405.33	0.53	-71.28
C[N@@H+](CCO)CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030861312	1	52	0.0	-71.81	405.33	0.53	-71.28
C[N@@H+]1CCCCC1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030861331	0	55	0.0	-73.57	413.89	4.65	-68.92
C[N@H+]1CCCCC1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030861331	1	55	0.0	-73.57	413.89	4.65	-68.92
CC1=C2C=C(C(=O)N3CCC(CNC(=O)C4=CC(=O)[N-]O4)C34CC4)C=CN2C=N1	REAL300030861350	0	50	0.0	-73.42	412.21	6.43	-66.99
CC1=C2C=C(C(=O)N3CCC(CNC(=O)C4=CC(=O)[N-]O4)C34CC4)C=CN2C=[NH+]1	REAL300030861350	1	50	0.0	-73.42	412.21	6.43	-66.99
CC1CC[N@@H+]1CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030861354	0	49	0.0	-68.41	380.78	3.25	-65.16
C[NH+](C)CC=CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030861365	0	49	0.0	-75.37	391.20	3.74	-71.63
CC1(C)CN(CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030861377	0	52	0.0	-70.71	405.45	4.11	-66.60
CC1(C)C[NH+](CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C1	REAL300030861377	1	52	0.0	-70.71	405.45	4.11	-66.60
CC1=C(C)NC(CCC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)=N1	REAL300030861395	0	53	0.0	-66.29	425.17	3.81	-62.48
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)N1	REAL300030861395	1	53	0.0	-66.29	425.17	3.81	-62.48
CC1=C2C=C(C(=O)N3CCC(CNC(=O)C4=CC(=O)[N-]O4)C34CC4)C=CN2C=N1	REAL300030861405	0	50	0.0	-73.42	412.21	6.43	-66.99
CC1=C2C=C(C(=O)N3CCC(CNC(=O)C4=CC(=O)[N-]O4)C34CC4)C=CN2C=[NH+]1	REAL300030861405	1	50	0.0	-73.42	412.21	6.43	-66.99
C[NH+](C)CCSCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030861414	0	52	0.0	-76.58	421.94	4.43	-72.15
O=C(C[N@H+]1CCCC1CO)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030861438	0	53	0.0	-69.67	404.60	0.50	-69.17
CC[NH+](CC)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030861442	0	51	0.0	-68.79	391.46	3.81	-64.98
C[N@H+](CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2)C1CCSC1	REAL300030861453	0	53	0.0	-75.04	414.20	4.74	-70.30
O=C(CN1CCC1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030861455	0	46	0.0	-70.85	365.14	2.97	-67.88
O=C(C[NH+]1CCC1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030861455	1	46	0.0	-70.85	365.14	2.97	-67.88
CC[NH+](CC)CCC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030861494	0	54	0.0	-71.84	408.47	4.15	-67.69
O=C(NCC1CCN(C(=O)C2CC3COCC[N@@H+]3C2)C12CC2)C1=CC(=O)[N-]O1	REAL300030861569	0	54	0.0	-73.31	410.68	2.61	-70.70
O=C(NCC1CCN(C(=O)C2CC3COCC[N@H+]3C2)C12CC2)C1=CC(=O)[N-]O1	REAL300030861569	1	54	0.0	-73.31	410.68	2.61	-70.70
CCC(CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2)C[NH+](C)C	REAL300030861589	0	57	0.0	-76.25	429.88	5.12	-71.13
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030861646	0	52	0.0	-66.40	395.39	4.05	-62.35
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030861659	0	55	0.0	-75.30	404.70	1.15	-74.15
C[NH+](C)CC(O)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030861679	0	52	0.0	-76.04	407.52	1.45	-74.59
C[NH+]1C2CCC1CC(C(=O)N1CCC(CNC(=O)C3=CC(=O)[N-]O3)C13CC3)C2	REAL300030861682	0	56	0.0	-70.08	387.53	4.35	-65.73
C=CCC(C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2)[NH+](C)C	REAL300030861714	0	52	0.0	-66.09	395.42	3.88	-62.21
O=C(NCC1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C12CC2)C1=CC(=O)[N-]O1	REAL300030861721	0	56	0.0	-73.84	420.38	5.05	-68.79
O=C(NCC1CCN(C(=O)C2CC3CCCC[N@H+]3C2)C12CC2)C1=CC(=O)[N-]O1	REAL300030861721	1	56	0.0	-73.84	420.38	5.05	-68.79
C[NH+]1CCC(O)(CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)CC1	REAL300030861730	0	56	0.0	-72.32	425.04	2.73	-69.59
CC1=C2C=C(C(=O)NCC3CCN(C(=O)C4=CC(=O)[N-]O4)C34CC4)C=CN2C=N1	REAL300030861809	0	50	0.0	-79.95	404.27	6.46	-73.49
CC1=C2C=C(C(=O)NCC3CCN(C(=O)C4=CC(=O)[N-]O4)C34CC4)C=CN2C=[NH+]1	REAL300030861809	1	50	0.0	-79.95	404.27	6.46	-73.49
C[NH+](C)CCSCC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030861818	0	52	0.0	-81.92	418.95	4.27	-77.65
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1CC2COCC[N@@H+]2C1	REAL300030861826	0	54	0.0	-79.13	410.86	2.67	-76.46
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1CC2COCC[N@H+]2C1	REAL300030861826	1	54	0.0	-79.13	410.86	2.67	-76.46
C[N@@H+]1CCCC1C(=O)NCCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030861923	0	55	0.0	-71.90	414.05	5.35	-66.55
C[N@H+]1CCCC1C(=O)NCCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030861923	1	55	0.0	-60.58	411.78	5.37	-55.21
C[N@@H+]1CCC[C@@H]1C(=O)NCCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030862016	0	55	0.0	-71.04	412.91	5.37	-65.67
C[N@H+]1CCC[C@@H]1C(=O)NCCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030862016	1	55	0.0	-67.13	419.32	5.87	-61.26
C[NH+](C)CC(=O)NCCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030862091	0	51	0.0	-64.07	387.18	4.32	-59.75
CC(C(=O)NCCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030862095	1	55	0.0	-60.69	416.80	5.35	-55.34
C[N@H+](CC(=O)NCCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030862100	0	55	0.0	-60.63	416.13	5.70	-54.93
C[N@@H+](CC(=O)NCCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030862100	1	55	0.0	-61.34	416.12	5.70	-55.64
C[NH+]1CC(CC(=O)NCCC2C3=CC=CC=C3CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030862105	0	55	0.0	-69.40	418.12	5.11	-64.29
C[C@@H](C(=O)NCCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030862112	0	54	0.0	-63.84	405.23	4.90	-58.94
C[C@@H](C(=O)NCCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030862132	0	54	0.0	-63.84	405.23	4.90	-58.94
O=C(C[NH+]1CCC1)NCCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030862144	1	52	0.0	-63.86	397.28	4.74	-59.12
C[C@H](C(=O)NCCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030862152	0	54	0.0	-60.78	405.89	4.79	-55.99
CC1C[NH+](CC(=O)NCCC2C3=CC=CC=C3CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030862158	1	55	0.0	-63.95	418.45	5.41	-58.54
CC[N@H+](C)CC(=O)NCCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030862173	0	54	0.0	-63.03	404.44	4.97	-58.06
CC[N@@H+](C)CC(=O)NCCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030862173	1	54	0.0	-63.21	404.44	4.96	-58.25
C[NH+](C)CC=CC(=O)NCCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030862188	0	55	0.0	-73.83	423.94	5.55	-68.28
CC[N@@H+]1CCC1C(=O)NCCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030862192	1	55	0.0	-61.84	411.69	5.03	-56.81
CC[N@H+]1CCC1C(=O)NCCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030862192	1	55	0.0	-64.02	418.68	5.35	-58.67
C[NH+](C)C1(C(=O)NCCC2C3=CC=CC=C3CCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030862221	0	55	0.0	-71.80	412.87	5.04	-66.76
CC1CC[N@@H+]1CC(=O)NCCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030862244	1	55	0.0	-63.18	412.22	5.07	-58.11
CC1CC[N@H+]1CC(=O)NCCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030862244	1	55	0.0	-69.05	424.34	5.90	-63.15
C[N@@H+]1CCC[C@H]1C(=O)NCCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030862287	0	55	0.0	-61.48	412.84	5.30	-56.18
C[N@H+]1CCC[C@H]1C(=O)NCCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030862287	1	55	0.0	-69.02	407.18	4.84	-64.18
C[N@@H+]1CCCC1C(=O)N1CCC2=CC=CC=C2C1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030862382	0	55	0.0	-67.48	403.92	4.81	-62.67
C[N@H+]1CCCC1C(=O)N1CCC2=CC=CC=C2C1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030862382	1	55	0.0	-71.46	408.37	5.07	-66.39
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2=CC=CC=C2C1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030862510	0	55	0.0	-68.19	403.99	4.79	-63.40
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2=CC=CC=C2C1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030862510	1	55	0.0	-67.04	423.85	5.98	-61.06
C[C@@H](C(=O)N1CCC2=CC=CC=C2C1CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030862552	0	54	0.0	-68.57	404.98	4.83	-63.74
CC1C[NH+](CC(=O)N2CCC3=CC=CC=C3C2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030862573	1	55	0.0	-67.45	421.67	5.61	-61.84
CC[N@H+](C)CC(=O)N1CCC2=CC=CC=C2C1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030862588	0	54	0.0	-69.13	407.71	5.19	-63.94
CC[N@@H+](C)CC(=O)N1CCC2=CC=CC=C2C1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030862588	1	54	0.0	-67.33	408.06	5.19	-62.14
C[C@H](C(=O)N1CCC2=CC=CC=C2C1CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030862611	0	54	0.0	-65.42	404.17	4.82	-60.60
CC[N@@H+]1CCC1C(=O)N1CCC2=CC=CC=C2C1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030862613	1	55	0.0	-67.24	421.76	5.53	-61.71
CC[N@H+]1CCC1C(=O)N1CCC2=CC=CC=C2C1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030862613	1	55	0.0	-67.44	420.57	5.48	-61.96
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2=CC=CC=C2C1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030862660	0	55	0.0	-64.99	422.94	5.91	-59.08
C[N@H+]1CCC[C@H]1C(=O)N1CCC2=CC=CC=C2C1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030862660	1	55	0.0	-64.38	416.80	5.67	-58.71
C[N@H+](CC(=O)N1CCC2=CC=CC=C2C1CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030862686	0	55	0.0	-66.18	431.68	6.60	-59.58
C[N@@H+](CC(=O)N1CCC2=CC=CC=C2C1CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030862686	1	55	0.0	-66.42	431.82	6.61	-59.81
C[NH+]1CC(CC(=O)N2CCC3=CC=CC=C3C2CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030862705	0	55	0.0	-68.72	433.86	6.06	-62.66
C[NH+](C)CC(=O)N1CCC2=CC=CC=C2C1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030862708	0	51	0.0	-69.47	402.42	5.19	-64.28
C[C@@H](C(=O)N1CCC2=CC=CC=C2C1CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030862711	0	54	0.0	-68.57	404.98	4.83	-63.74
CC1CC[N@@H+]1CC(=O)N1CCC2=CC=CC=C2C1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030862716	1	55	0.0	-66.78	415.77	5.34	-61.44
CC1CC[N@H+]1CC(=O)N1CCC2=CC=CC=C2C1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030862716	1	55	0.0	-70.03	421.06	5.54	-64.49
C[NH+](C)CC=CC(=O)N1CCC2=CC=CC=C2C1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030862717	0	55	0.0	-70.34	436.14	6.32	-64.02
O=C(C[NH+]1CCC1)N1CCC2=CC=CC=C2C1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030862723	1	52	0.0	-69.36	400.27	4.99	-64.37
CC(C(=O)N1CCC2=CC=CC=C2C1CCNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030862736	1	55	0.0	-65.30	415.87	5.42	-59.88
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1CCC[N@@H+]1C)C1=CC=CC=C1	REAL300030862923	0	51	0.0	-59.29	392.16	4.53	-54.76
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1CCC[N@H+]1C)C1=CC=CC=C1	REAL300030862923	1	51	0.0	-58.26	392.23	4.53	-53.73
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1C[N@H+](C)CCO1)C1=CC=CC=C1	REAL300030862947	1	52	0.0	-62.63	402.44	4.28	-58.35
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1C[N@@H+](C)CCO1)C1=CC=CC=C1	REAL300030862947	1	52	0.0	-58.98	402.44	4.28	-54.70
CC1=[NH+]C=CN1CC(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300030863104	1	49	0.0	-58.04	401.32	5.61	-52.43
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1C[NH+]2CCC1CC2)C1=CC=CC=C1	REAL300030863120	0	55	0.0	-59.50	413.52	5.78	-53.72
C[C@@H]1[C@H](C(=O)NCC(C2=CC=CC=C2)N(C)C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030863143	0	54	0.0	-59.50	408.75	5.39	-54.11
C[C@@H]1[C@H](C(=O)NCC(C2=CC=CC=C2)N(C)C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030863143	1	54	0.0	-61.99	415.15	5.25	-56.74
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1([NH+](C)C)CCC1)C1=CC=CC=C1	REAL300030863192	0	54	0.0	-54.85	402.90	5.56	-49.29
CC(C)[C@@H](C(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030863195	0	56	0.0	-57.58	419.61	6.17	-51.41
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C[N@H+](C)C1CCC1)C1=CC=CC=C1	REAL300030863210	0	54	0.0	-58.48	418.01	5.97	-52.51
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C[N@@H+](C)C1CCC1)C1=CC=CC=C1	REAL300030863210	1	54	0.0	-58.11	418.11	5.98	-52.13
C#CC[N@H+]1CCC[C@H]1C(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300030863251	1	53	0.0	-57.28	418.38	5.76	-51.52
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300030863251	1	53	0.0	-57.54	424.52	6.27	-51.27
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1CC[NH+](C)CC1)C1=CC=CC=C1	REAL300030863268	0	54	0.0	-62.25	416.47	5.65	-56.60
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1CCCC[N@@H+]1C)C1=CC=CC=C1	REAL300030863287	0	54	0.0	-58.17	404.22	5.41	-52.76
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1CCCC[N@H+]1C)C1=CC=CC=C1	REAL300030863287	1	54	0.0	-55.87	413.49	5.58	-50.29
CC1=C[NH+]=CN1CC(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300030863334	1	49	0.0	-59.39	401.30	6.33	-53.06
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C12CCC[NH+]1CCC2)C1=CC=CC=C1	REAL300030863348	0	55	0.0	-52.20	416.77	5.97	-46.23
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)CC1CC[N@H+](C)C1)C1=CC=CC=C1	REAL300030863351	0	54	0.0	-63.48	417.91	5.57	-57.91
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)CC1CC[N@@H+](C)C1)C1=CC=CC=C1	REAL300030863351	1	54	0.0	-64.44	418.43	5.58	-58.86
CCC(C(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030863356	0	53	0.0	-56.97	400.56	5.10	-51.87
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)CCCC[NH+](C)C)C1=CC=CC=C1	REAL300030863392	0	56	0.0	-64.12	437.03	6.14	-57.98
CC(C)C(C(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030863399	0	56	0.0	-57.36	419.24	6.18	-51.18
CCC[N@H+](C)CCC(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300030863400	0	56	0.0	-61.19	433.27	5.94	-55.25
CCC[N@@H+](C)CCC(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300030863400	1	56	0.0	-61.33	433.27	5.95	-55.38
CCC[N@H+](C)CC(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300030863401	0	53	0.0	-59.24	410.76	5.39	-53.85
CCC[N@@H+](C)CC(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300030863401	1	53	0.0	-60.04	411.12	5.40	-54.64
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C12CC[N@H+](C1)CCC2)C1=CC=CC=C1	REAL300030863408	0	55	0.0	-58.38	413.50	5.19	-53.19
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C12CC[N@@H+](C1)CCC2)C1=CC=CC=C1	REAL300030863408	1	55	0.0	-61.06	413.13	5.20	-55.86
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)[C@H]1CCC[N@@H+]1C)C1=CC=CC=C1	REAL300030863426	0	51	0.0	-57.57	397.21	5.05	-52.52
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)[C@H]1CCC[N@H+]1C)C1=CC=CC=C1	REAL300030863426	1	51	0.0	-58.11	392.10	4.53	-53.58
CC[NH+](CC)CC(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300030863450	0	53	0.0	-56.99	407.07	5.29	-51.70
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1(C[NH+](C)C)CC1)C1=CC=CC=C1	REAL300030863515	0	54	0.0	-61.00	424.12	5.75	-55.25
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1CC[NH+](C)CC1)C1=CC=CC=C1	REAL300030863556	0	54	0.0	-62.25	416.47	5.65	-56.60
CC(C)[C@H](C(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030863571	0	56	0.0	-58.81	421.00	6.04	-52.77
CC[N@H+](C)CCC(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300030863624	0	53	0.0	-60.66	411.77	5.20	-55.46
CC[N@@H+](C)CCC(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300030863624	1	53	0.0	-60.80	411.76	5.20	-55.60
CC1CCC[N@@H+]1CC(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300030863644	0	54	0.0	-56.93	410.75	5.37	-51.56
CC1CCC[N@H+]1CC(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300030863644	1	54	0.0	-57.04	417.43	5.79	-51.25
CC1CC[N@H+](CC(=O)NCC(C2=CC=CC=C2)N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030863645	0	54	0.0	-59.05	417.95	5.74	-53.31
CC1CC[N@@H+](CC(=O)NCC(C2=CC=CC=C2)N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030863645	1	54	0.0	-58.74	417.61	5.75	-52.99
CC[C@@H](C(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030863650	0	53	0.0	-58.14	402.70	4.99	-53.15
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C[NH+](C)C)C1=CC=CC=C1	REAL300030863710	0	47	0.0	-60.97	371.89	3.99	-56.98
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C[N+]1=CN(C)C=C1)C1=CC=CC=C1	REAL300030863713	0	49	0.0	-58.72	403.12	7.50	-51.22
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1CCC[N@H+](C)C1)C1=CC=CC=C1	REAL300030863716	0	54	0.0	-57.33	409.85	5.80	-51.53
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1CCC[N@@H+](C)C1)C1=CC=CC=C1	REAL300030863716	1	54	0.0	-57.97	410.51	5.81	-52.16
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1CCC[N@@H+]1C1CC1)C1=CC=CC=C1	REAL300030863721	0	55	0.0	-55.26	429.65	6.49	-48.77
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1CCC[N@H+]1C1CC1)C1=CC=CC=C1	REAL300030863721	1	55	0.0	-56.61	422.00	5.81	-50.80
CC(C(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL300030863731	1	51	0.0	-57.76	401.50	4.99	-52.77
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C(C)(C)C[NH+](C)C)C1=CC=CC=C1	REAL300030863739	0	56	0.0	-59.77	419.22	5.68	-54.09
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C[N@H+](C)C1CC1)C1=CC=CC=C1	REAL300030863747	0	51	0.0	-56.99	401.07	5.40	-51.59
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C[N@@H+](C)C1CC1)C1=CC=CC=C1	REAL300030863747	1	51	0.0	-56.93	400.93	5.40	-51.53
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)CC1C[NH+](C)C1)C1=CC=CC=C1	REAL300030863760	0	51	0.0	-63.35	403.34	4.82	-58.53
C[C@@H](C(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030863777	0	50	0.0	-57.88	390.03	4.45	-53.43
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)CC[N@H+](C)CCO)C1=CC=CC=C1	REAL300030863824	0	54	0.0	-61.46	421.98	1.98	-59.48
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)CC[N@@H+](C)CCO)C1=CC=CC=C1	REAL300030863824	1	54	0.0	-60.26	421.93	2.00	-58.26
C[C@@H](C(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030863825	0	50	0.0	-57.88	390.03	4.45	-53.43
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)[C@H]1CCCC[N@@H+]1C)C1=CC=CC=C1	REAL300030863828	0	54	0.0	-57.34	413.54	5.58	-51.76
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)[C@H]1CCCC[N@H+]1C)C1=CC=CC=C1	REAL300030863828	1	54	0.0	-58.42	403.95	5.42	-53.00
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C[NH+]1CCC1)C1=CC=CC=C1	REAL300030863866	1	48	0.0	-60.04	382.24	4.41	-55.63
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C=C1CC[N@H+](C)C1)C1=CC=CC=C1	REAL300030863876	0	52	0.0	-65.48	410.48	5.52	-59.96
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C=C1CC[N@@H+](C)C1)C1=CC=CC=C1	REAL300030863876	1	52	0.0	-66.31	410.83	5.54	-60.77
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)COCC[NH+](C)C)C1=CC=CC=C1	REAL300030863891	0	54	0.0	-62.74	427.71	5.04	-57.70
CC1CN(CC(=O)NCC(C2=CC=CC=C2)N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030863927	0	51	0.0	-59.83	403.41	5.08	-54.75
CC1C[NH+](CC(=O)NCC(C2=CC=CC=C2)N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030863927	1	51	0.0	-59.83	403.41	5.08	-54.75
CN(CCO)CC(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300030863941	0	51	0.0	-60.77	399.97	1.42	-59.35
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C[N@H+](C)CCO)C1=CC=CC=C1	REAL300030863941	1	51	0.0	-59.00	399.37	1.43	-57.57
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C[N@@H+](C)CCO)C1=CC=CC=C1	REAL300030863941	1	51	0.0	-59.00	399.37	1.43	-57.57
CC(CC(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL300030863956	0	56	0.0	-63.95	429.07	5.99	-57.96
CC[N@H+](C)CC(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300030863959	0	50	0.0	-58.91	389.26	4.65	-54.26
CC[N@H+](CC(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300030863979	0	54	0.0	-56.36	417.69	5.99	-50.37
CC[NH+](CC)CCC(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300030863986	0	56	0.0	-60.84	425.55	5.63	-55.21
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)CN1CC(C)(C)C1)C1=CC=CC=C1	REAL300030863998	0	54	0.0	-58.81	421.94	5.56	-53.25
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C[NH+]1CC(C)(C)C1)C1=CC=CC=C1	REAL300030863998	1	54	0.0	-58.81	421.94	5.56	-53.25
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C=CC[NH+](C)C)C1=CC=CC=C1	REAL300030864010	0	51	0.0	-64.13	407.63	5.20	-58.93
COCCN(C)CC(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300030864023	0	54	0.0	-59.62	422.24	3.82	-55.80
COCC[N@H+](C)CC(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300030864023	1	54	0.0	-59.23	421.86	3.81	-55.42
COCC[N@@H+](C)CC(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300030864023	1	54	0.0	-59.23	421.86	3.81	-55.42
CC(CCC(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030864040	0	56	0.0	-62.81	429.23	5.73	-57.08
CCN1CCC1C(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300030864046	0	51	0.0	-57.20	396.40	4.71	-52.49
CC[N@@H+]1CCC1C(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300030864046	1	51	0.0	-58.56	403.82	5.00	-53.56
CC[N@H+]1CCC1C(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300030864046	1	51	0.0	-58.56	403.82	5.00	-53.56
C=CCC(C(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030864079	0	54	0.0	-55.57	414.65	5.46	-50.11
CCCC(C(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL300030864100	0	56	0.0	-57.83	423.72	5.76	-52.07
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C(C)(C)[NH+](C)C)C1=CC=CC=C1	REAL300030864103	0	53	0.0	-55.82	399.13	5.15	-50.67
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1CCCC[N@@H+]1C)C1=CC=CC=C1	REAL300030864119	0	54	0.0	-55.87	413.49	5.58	-50.29
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)CC1=CC[N@H+](C)CC1)C1=CC=CC=C1	REAL300030864136	0	55	0.0	-63.03	430.81	6.31	-56.72
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)CC1=CC[N@@H+](C)CC1)C1=CC=CC=C1	REAL300030864136	1	55	0.0	-63.03	430.81	6.31	-56.72
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C=CC[NH+]1CCCC1)C1=CC=CC=C1	REAL300030864163	0	55	0.0	-63.04	433.97	6.40	-56.64
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)CC[NH+]1CCCC1)C1=CC=CC=C1	REAL300030864185	0	54	0.0	-60.20	420.00	5.72	-54.48
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1C[NH+]2CCN1CC2)C1=CC=CC=C1	REAL300030864202	0	54	0.0	-58.70	407.91	2.46	-56.24
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C12CC(C1)C[N@@H+]2C)C1=CC=CC=C1	REAL300030864206	0	52	0.0	-54.65	404.61	5.12	-49.53
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C[N@@H+]1CC2CCC1C2)C1=CC=CC=C1	REAL300030864211	0	55	0.0	-56.69	418.12	6.08	-50.61
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C[N@H+]1CC2CCC1C2)C1=CC=CC=C1	REAL300030864211	1	55	0.0	-56.69	418.12	6.08	-50.61
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)CN1CC2C=CC1C2)C1=CC=CC=C1	REAL300030864241	0	53	0.0	-56.67	410.88	5.95	-50.72
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C[N@@H+]1CC2C=CC1C2)C1=CC=CC=C1	REAL300030864241	1	53	0.0	-57.46	411.39	5.97	-51.49
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C[N@H+]1CC2C=CC1C2)C1=CC=CC=C1	REAL300030864241	1	53	0.0	-57.46	411.39	5.97	-51.49
CC(C[NH+](C)C)C(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300030864263	0	53	0.0	-58.20	409.00	5.35	-52.85
CC(C(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1)N1CC(C)C1	REAL300030864302	0	54	0.0	-57.88	421.09	5.68	-52.20
CC(C(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL300030864302	1	54	0.0	-57.88	421.09	5.68	-52.20
CC1CCN1CC(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300030864303	0	51	0.0	-57.86	397.84	4.80	-53.06
CC1CC[N@@H+]1CC(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300030864303	1	51	0.0	-58.55	403.14	5.06	-53.49
CC1CC[N@H+]1CC(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300030864303	1	51	0.0	-58.55	403.14	5.06	-53.49
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)CC(O)C[NH+](C)C)C1=CC=CC=C1	REAL300030864305	0	54	0.0	-66.18	424.59	3.01	-63.17
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C1=CC=CC=C1	REAL300030864355	0	54	0.0	-60.50	421.21	5.72	-54.78
CC(CC[NH+](C)C)C(=O)NCC(C1=CC=CC=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300030864358	0	56	0.0	-63.54	431.70	5.87	-57.67
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)CSC(N)=[NH2+])C1=CC=CC=C1	REAL300030864390	0	45	0.0	-60.09	380.19	0.86	-59.23
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)CC1CC=CC[N@@H+]1C)C1=CC=CC=C1	REAL300030864408	0	55	0.0	-61.79	422.77	6.07	-55.72
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)CC1CC=CC[N@H+]1C)C1=CC=CC=C1	REAL300030864408	1	55	0.0	-61.79	422.77	6.07	-55.72
CCC1C[NH+](CC(=O)NCC(C2=CC=CC=C2)N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030864475	1	54	0.0	-60.38	424.80	5.84	-54.54
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)[C@@H]1CCC[N@H+]1C)C1=CC=CC=C1	REAL300030864480	1	51	0.0	-57.99	397.86	5.00	-52.99
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C[NH+]1CCCCC1)C1=CC=CC=C1	REAL300030864491	0	54	0.0	-57.71	413.09	5.85	-51.86
CC1C(C(=O)NCC(C2=CC=CC=C2)N(C)C(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL300030864495	0	54	0.0	-59.39	418.18	5.54	-53.85
CC1C(C(=O)NCC(C2=CC=CC=C2)N(C)C(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL300030864495	1	54	0.0	-59.58	414.09	5.51	-54.07
CN(C(=O)C1CCC[N@H+]1C)C(CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030864685	1	51	0.0	-60.30	397.64	4.86	-55.44
CN(C(=O)C1CN(C)CCO1)C(CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030864711	0	52	0.0	-68.50	409.87	5.01	-63.49
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CC(C(=O)N(C)C(CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1)N1CCC1	REAL300030866340	0	51	0.0	-63.34	404.80	5.64	-57.70
CC(C(=O)N(C)C(CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1)[NH+]1CCC1	REAL300030866340	1	51	0.0	-63.34	404.80	5.64	-57.70
CN(C(=O)[C@H]1CCCC[N@@H+]1C)C(CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030866366	0	54	0.0	-59.60	403.24	5.13	-54.47
CN(C(=O)CC(O)C[NH+](C)C)C(CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030866378	0	54	0.0	-68.52	430.26	3.84	-64.68
C=CCC(C(=O)N(C)C(CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1)[NH+](C)C	REAL300030866396	0	54	0.0	-57.68	414.08	5.48	-52.20
C[N@@H+]1CCCC1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030866607	0	49	0.0	-62.47	354.27	3.70	-58.77
CN1CCOC(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030866631	0	50	0.0	-61.71	362.59	3.40	-58.31
C[N@@H+]1CCOC(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030866631	1	50	0.0	-69.94	370.52	3.54	-66.40
C[N@H+]1CCOC(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030866631	1	50	0.0	-69.94	370.52	3.54	-66.40
CC(C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCCC1	REAL300030866802	0	58	0.0	-63.62	404.55	5.67	-57.95
CC(C)[N@@H+]1CCCCC1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030866804	0	58	0.0	-70.37	399.13	5.39	-64.98
CC(C)[N@H+]1CCCCC1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030866804	1	58	0.0	-70.37	399.13	5.39	-64.98
CC(C)[N@@H+]1CCCC1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030866825	0	55	0.0	-59.39	388.25	5.29	-54.10
CC(C)[N@H+]1CCCC1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030866825	1	55	0.0	-59.39	388.25	5.29	-54.10
O=C(C1=CC(=O)[N-]O1)N1CC[C@@H]2CN(C(=O)C3CC4CCCC[N@@H+]4C3)CC[C@@H]21	REAL300030866842	0	56	0.0	-69.29	399.80	5.83	-63.46
O=C(C1=CC(=O)[N-]O1)N1CC[C@@H]2CN(C(=O)C3CC4CCCC[N@H+]4C3)CC[C@@H]21	REAL300030866842	1	56	0.0	-69.29	399.80	5.83	-63.46
CC(C)C1=[NH+]C=CN1CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030866864	1	53	0.0	-62.51	403.45	5.76	-56.75
CC1=[NH+]C=CN1CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030866898	1	47	0.0	-64.75	365.19	4.74	-60.01
CC(C[NH+]1CCOCC1)C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030866900	0	56	0.0	-75.74	405.24	3.53	-72.21
O=C(CCC[NH+]1CCCCC1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030866917	0	58	0.0	-68.71	422.20	6.63	-62.08
CC(C)(C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCCCC1	REAL300030866936	0	58	0.0	-62.36	396.62	5.66	-56.70
O=C(C1=CC(=O)[N-]O1)N1CC[C@@H]2CN(C(=O)C3C[NH+]4CCC3CC4)CC[C@@H]21	REAL300030866946	0	53	0.0	-74.11	372.22	4.73	-69.38
O=C(C1=CC(=O)[N-]O1)N1CC[C@@H]2CN(C(=O)C3CCCC4CCC[N@@H+]43)CC[C@@H]21	REAL300030866992	0	56	0.0	-61.78	401.39	5.93	-55.85
O=C(C1=CC(=O)[N-]O1)N1CC[C@@H]2CN(C(=O)C3CCCC4CCC[N@H+]43)CC[C@@H]21	REAL300030866992	1	56	0.0	-69.92	398.99	5.55	-64.37
C[C@@H]1[C@H](C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030867008	0	52	0.0	-68.50	372.29	4.23	-64.27
C[C@@H]1[C@H](C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030867008	1	52	0.0	-65.65	376.52	4.85	-60.80
CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030867013	0	55	0.0	-66.76	389.43	4.45	-62.31
CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030867013	1	55	0.0	-63.96	393.88	4.96	-59.00
CC[N@@H+]1CCOC(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030867028	1	53	0.0	-75.46	386.57	4.13	-71.33
CC[N@H+]1CCOC(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030867028	1	53	0.0	-69.33	388.51	4.16	-65.17
CC[NH+](CC)CC(F)C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030867074	0	54	0.0	-75.32	394.98	4.61	-70.71
CC1CCC(C)[NH+]1CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030867147	0	55	0.0	-62.63	396.77	5.02	-57.61
O=C(CCC[NH+]1CCCC1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030867153	0	55	0.0	-68.79	407.60	5.55	-63.24
C[NH+](C)CC1=CC=CC(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030867154	0	55	0.0	-74.38	414.85	6.47	-67.91
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030867159	0	54	0.0	-71.79	400.73	5.69	-66.10
O=C(CC[NH+]1CCCCC1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030867160	0	55	0.0	-68.04	399.34	5.60	-62.44
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030867163	0	55	0.0	-66.67	405.86	6.06	-60.61
CC[N@@H+]1CCCCC1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030867167	0	55	0.0	-60.23	393.66	5.32	-54.91
CC[N@H+]1CCCCC1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030867167	1	55	0.0	-60.42	387.19	5.14	-55.28
C[NH+](C)C(C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC=C1	REAL300030867170	1	55	0.0	-66.34	407.15	6.24	-60.10
CC(C)C[N@@H+]1CCC(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030867187	0	58	0.0	-68.30	417.08	6.18	-62.12
CC(C)C[N@H+]1CCC(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030867187	1	58	0.0	-66.52	421.11	6.13	-60.39
C[NH+](C)C1(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)CCC1	REAL300030867191	0	52	0.0	-71.31	362.01	4.13	-67.18
CC(C)[N@@H+]1CCCC1CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030867193	0	58	0.0	-58.89	406.37	5.33	-53.56
CC(C)[N@H+]1CCCC1CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030867193	1	58	0.0	-63.45	406.77	5.46	-57.99
CC(C)[C@@H](C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030867208	0	54	0.0	-61.55	382.59	4.51	-57.04
C[N@H+](CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030867257	0	52	0.0	-64.75	383.91	4.98	-59.77
C[N@@H+](CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1)C1CCC1	REAL300030867257	1	52	0.0	-64.00	384.17	4.96	-59.04
CC(C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1C(C)CCC1C	REAL300030867321	0	58	0.0	-61.82	394.42	4.71	-57.11
CN(CCC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=[NH+]C=C1	REAL300030867377	0	54	0.0	-63.37	410.27	4.84	-58.53
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030867385	1	51	0.0	-60.55	382.04	5.02	-55.53
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030867385	1	51	0.0	-63.22	381.96	5.27	-57.95
C[N@@H+]1CCCC1CCC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030867391	0	55	0.0	-67.61	403.82	5.85	-61.76
C[N@H+]1CCCC1CCC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030867391	1	55	0.0	-67.68	398.75	5.35	-62.33
O=C(C1=CC(=O)[N-]O1)N1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@@H]21	REAL300030867402	0	56	0.0	-70.62	384.05	4.92	-65.70
O=C(C1=CC(=O)[N-]O1)N1CC[C@@H]2CN(C(=O)C3CCC4CCCC[N@@H+]43)CC[C@@H]21	REAL300030867409	0	56	0.0	-60.88	396.42	5.74	-55.14
O=C(C1=CC(=O)[N-]O1)N1CC[C@@H]2CN(C(=O)C3CCC4CCCC[N@H+]43)CC[C@@H]21	REAL300030867409	1	56	0.0	-72.03	403.91	5.78	-66.25
O=C(CCCC[NH+]1CCCC1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030867429	0	58	0.0	-69.81	427.17	6.50	-63.31
C[N@H+](CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300030867431	1	55	0.0	-70.29	413.03	6.90	-63.39
C[N@@H+](CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1)CC1=CC=CC=C1	REAL300030867431	1	55	0.0	-69.91	412.98	6.90	-63.01
C[NH+]1CCC(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030867442	0	52	0.0	-81.97	378.02	4.41	-77.56
C[NH+](C)CC1=CC(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)=NO1	REAL300030867483	1	51	0.0	-78.57	393.49	4.28	-74.29
CC1=C(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C=CC2=C[NH+]=CN21	REAL300030867484	0	50	0.0	-65.01	390.86	6.71	-58.30
C[N@@H+]1CCCCC1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030867516	0	52	0.0	-66.44	364.62	4.22	-62.22
C[N@H+]1CCCCC1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030867516	1	52	0.0	-63.69	365.97	4.19	-59.50
CC(C)C[N@@H+]1CCCC1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030867539	0	58	0.0	-64.41	416.29	5.60	-58.81
CC(C)C[N@H+]1CCCC1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030867539	1	58	0.0	-63.53	416.97	6.24	-57.29
O=C(C1=CC(=O)[N-]O1)N1CC[C@@H]2CN(C(=O)C3=CN4C=[NH+]C=C4C=C3)CC[C@@H]21	REAL300030867644	0	47	0.0	-67.01	371.16	6.60	-60.41
CC1=[NH+]C=CN1CCCC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030867653	1	53	0.0	-66.30	407.65	6.30	-60.00
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C=C1	REAL300030867658	0	55	0.0	-75.28	413.52	6.32	-68.96
O=C(CC[NH+]1CCOCC1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030867659	1	53	0.0	-71.00	391.05	3.21	-67.79
CC1=C[NH+]=CN1CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030867690	1	47	0.0	-64.86	365.57	5.48	-59.38
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030867696	1	54	0.0	-63.87	408.35	7.31	-56.56
O=C(C1=CC(=O)[N-]O1)N1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]21	REAL300030867732	0	53	0.0	-61.72	374.59	4.31	-57.41
C[NH+](C)C1CCCC(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030867761	0	58	0.0	-70.40	414.78	6.03	-64.37
C[N@@H+]1CCC(CC(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030867764	0	52	0.0	-69.52	384.32	4.62	-64.90
C[N@H+]1CCC(CC(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030867764	1	52	0.0	-71.66	384.13	4.64	-67.02
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030867776	0	51	0.0	-65.93	389.77	2.96	-62.97
CCC(C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030867781	0	51	0.0	-63.47	360.46	4.05	-59.42
C[NH+](C)C1(CC(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030867795	0	58	0.0	-69.75	399.66	5.66	-64.09
O=C(C1=CC(=O)[N-]O1)N1CC[C@@H]2CN(C(=O)C3=CC4=C[NH+]=CN4C=C3)CC[C@@H]21	REAL300030867839	1	47	0.0	-69.86	371.44	6.65	-63.21
C[NH+](C)CCCCC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030867897	0	54	0.0	-71.17	401.20	5.32	-65.85
CC(C)C(C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030867917	0	54	0.0	-63.41	375.67	4.84	-58.57
CCC[N@H+](C)CCC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030867919	0	54	0.0	-69.24	397.38	5.16	-64.08
CCC[N@@H+](C)CCC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030867919	1	54	0.0	-69.58	397.38	5.18	-64.40
CCC[N@H+](C)CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030867925	0	51	0.0	-66.68	375.08	4.55	-62.13
CCC[N@@H+](C)CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030867925	1	51	0.0	-66.51	375.08	4.55	-61.96
O=C(C1=CC(=O)[N-]O1)N1CC[C@@H]2CN(C(=O)C34CC[N@H+](C3)CCC4)CC[C@@H]21	REAL300030867949	0	53	0.0	-71.33	371.20	4.14	-67.19
O=C(C1=CC(=O)[N-]O1)N1CC[C@@H]2CN(C(=O)C34CC[N@@H+](C3)CCC4)CC[C@@H]21	REAL300030867949	1	53	0.0	-72.04	369.75	4.12	-67.92
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030867989	0	49	0.0	-67.59	355.19	3.82	-63.77
C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030867989	1	49	0.0	-64.71	359.84	3.80	-60.91
CCCCCC[N@H+](C)CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030868049	0	60	0.0	-67.74	439.57	6.89	-60.85
CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030868049	1	60	0.0	-67.57	439.57	6.89	-60.68
CC[NH+](CC)C(C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1)C(C)C	REAL300030868054	0	60	0.0	-62.35	408.74	5.68	-56.67
CC[NH+](CC)CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030868063	0	51	0.0	-64.48	367.38	4.21	-60.27
CCC[N@@H+]1CCCC(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030868095	0	58	0.0	-60.81	412.19	6.37	-54.44
CCC[N@H+]1CCCC(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030868095	1	58	0.0	-62.60	410.92	6.34	-56.26
CC(C)[N@@H+]1CCOC(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030868112	1	56	0.0	-59.91	397.32	4.50	-55.41
CC(C)[N@H+]1CCOC(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030868112	1	56	0.0	-71.99	396.98	4.41	-67.58
CC1CC[NH+](CC(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030868144	0	55	0.0	-66.32	398.98	5.79	-60.53
C[NH+]1CCC(OCC(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030868172	0	56	0.0	-74.72	417.85	5.13	-69.59
C[NH+](C)CC1(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030868186	0	52	0.0	-58.06	383.37	4.46	-53.60
CC1=[NH+]C=C2CCC(C(=O)N3CC[C@H]4[C@H](CCN4C(=O)C4=CC(=O)[N-]O4)C3)CN21	REAL300030868187	1	54	0.0	-62.65	403.99	5.95	-56.70
CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030868262	0	58	0.0	-77.70	411.71	5.82	-71.88
C[NH+]1CCC(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030868283	0	52	0.0	-81.97	378.02	4.41	-77.56
CC(C)[C@H](C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030868301	0	54	0.0	-66.95	381.96	4.68	-62.27
CCC(C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](CC)CC	REAL300030868332	0	57	0.0	-60.69	397.15	5.40	-55.29
CC[N@H+](C)CCC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030868394	0	51	0.0	-68.68	375.89	4.43	-64.25
CC[N@@H+](C)CCC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030868394	1	51	0.0	-68.93	375.88	4.43	-64.50
CC1CCC[N@@H+]1CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030868450	0	52	0.0	-62.87	374.50	4.50	-58.37
CC1CCC[N@H+]1CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030868450	1	52	0.0	-63.29	381.25	5.00	-58.29
CC1CC[N@H+](CC(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030868452	0	52	0.0	-65.52	382.74	5.01	-60.51
CC1CC[N@@H+](CC(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030868452	1	52	0.0	-65.63	381.84	4.91	-60.72
CC1=[NH+]C=C2CC(C(=O)N3CC[C@H]4[C@H](CCN4C(=O)C4=CC(=O)[N-]O4)C3)CCN21	REAL300030868454	1	54	0.0	-73.19	405.72	5.95	-67.24
CC1(C)CC[N@H+](CC(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030868457	0	55	0.0	-65.44	401.74	5.52	-59.92
CC1(C)CC[N@@H+](CC(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030868457	1	55	0.0	-65.18	401.38	5.40	-59.78
C[N@H+](CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030868458	0	57	0.0	-66.12	406.02	5.82	-60.30
C[N@@H+](CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1)CC(C)(C)C	REAL300030868458	1	57	0.0	-65.50	405.63	5.69	-59.81
CC[C@@H](C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030868467	0	51	0.0	-76.35	366.65	3.94	-72.41
C[NH+]1CCC(O)(CC(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030868646	0	56	0.0	-71.83	407.17	3.69	-68.14
C[NH+](C)CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030868658	0	45	0.0	-67.30	335.40	3.16	-64.14
O=C(C[NH+]1CCC(CO)CC1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030868662	0	56	0.0	-69.36	409.82	2.48	-66.88
O=C(C[NH+]1CCCCCC1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030868664	0	55	0.0	-66.18	388.86	5.03	-61.15
CN1C=C[N+](CC(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030868668	0	47	0.0	-65.48	368.05	6.76	-58.72
C[N@@H+]1CCCC(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030868675	0	52	0.0	-74.02	381.00	4.83	-69.19
C[N@H+]1CCCC(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030868675	1	52	0.0	-72.04	369.97	4.63	-67.41
O=C(C1=CC(=O)[N-]O1)N1CC[C@@H]2CN(C(=O)C3CCC[N@@H+]3C3CC3)CC[C@@H]21	REAL300030868680	0	53	0.0	-61.79	390.62	5.57	-56.22
O=C(C1=CC(=O)[N-]O1)N1CC[C@@H]2CN(C(=O)C3CCC[N@H+]3C3CC3)CC[C@@H]21	REAL300030868680	1	53	0.0	-72.16	389.71	5.17	-66.99
CC(C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030868709	1	49	0.0	-74.40	355.83	3.50	-70.90
CCC(CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030868715	0	57	0.0	-69.58	410.69	5.80	-63.78
C[NH+](C)CC(C)(C)C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030868722	0	54	0.0	-69.03	376.97	4.39	-64.64
O=C(C1=CC(=O)[N-]O1)N1CC[C@@H]2CN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)CC[C@@H]21	REAL300030868740	0	54	0.0	-59.92	396.99	5.71	-54.21
O=C(C1=CC(=O)[N-]O1)N1CC[C@@H]2CN(C(=O)C34CC(C3)C[N@H+]4C3CC3)CC[C@@H]21	REAL300030868740	1	54	0.0	-64.08	391.81	5.16	-58.92
O=C(C[NH+]1CCC(O)CC1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030868751	1	53	0.0	-70.16	389.48	1.84	-68.32
C[N@H+](CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030868752	0	49	0.0	-64.05	365.06	4.56	-59.49
C[N@@H+](CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030868752	1	49	0.0	-63.89	365.22	4.56	-59.33
CC(C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1)N1CC[NH+](C)CC1	REAL300030868753	1	57	0.0	-66.39	411.23	2.83	-63.56
C[NH+]1CC(CC(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030868772	0	49	0.0	-68.06	367.10	4.01	-64.05
O=C(C1=CC(=O)[N-]O1)N1CC[C@@H]2CN(C(=O)C3CC[N@@H+]3C3CCCC3)CC[C@@H]21	REAL300030868776	0	56	0.0	-64.99	407.61	6.10	-58.89
O=C(C1=CC(=O)[N-]O1)N1CC[C@@H]2CN(C(=O)C3CC[N@H+]3C3CCCC3)CC[C@@H]21	REAL300030868776	1	56	0.0	-64.81	399.59	5.62	-59.19
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030868784	0	55	0.0	-62.77	382.50	4.30	-58.47
CC(C)(C)[N@H+]1CCC1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030868784	1	55	0.0	-62.12	398.16	4.96	-57.16
C[C@@H](C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030868795	0	48	0.0	-64.39	353.27	3.66	-60.73
CCC1CCC[N@H+](CC(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030868837	0	58	0.0	-65.94	416.37	6.27	-59.67
CCC1CCC[N@@H+](CC(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030868837	1	58	0.0	-66.21	417.14	6.27	-59.94
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030868845	0	53	0.0	-69.73	399.11	4.80	-64.93
[NH2+]=C1SC=CN1CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030868890	0	45	0.0	-61.10	362.87	3.33	-57.77
C[N@H+](CCO)CCC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030868900	0	52	0.0	-69.63	386.29	1.19	-68.44
C[N@@H+](CCO)CCC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030868900	1	52	0.0	-67.85	386.19	1.20	-66.65
C[C@@H](C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030868901	0	48	0.0	-64.39	353.27	3.66	-60.73
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030868905	0	52	0.0	-65.33	366.28	4.37	-60.96
C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030868905	1	52	0.0	-65.30	376.11	4.79	-60.51
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC2C(CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030868914	0	55	0.0	-75.68	389.92	1.77	-73.91
CC1CN2CC[N@H+]1CC2C(=O)N1CCC2C(CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030868914	1	55	0.0	-74.42	391.56	1.88	-72.54
CC1CN2CC[N@@H+]1CC2C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030868914	1	55	0.0	-73.29	383.78	1.67	-71.62
CC1CN2CC[N@H+]1CC2C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030868914	1	55	0.0	-64.87	385.79	1.89	-62.98
O=C(CC1=CC2=C[NH+]=CN2C=C1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030868960	0	50	0.0	-69.11	391.23	7.50	-61.61
C[N@H+](CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300030868985	0	53	0.0	-71.56	396.04	5.58	-65.98
C[N@@H+](CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1)C1CCSC1	REAL300030868985	1	53	0.0	-70.12	397.20	5.24	-64.88
O=C(C[NH+]1CCC1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030868986	1	46	0.0	-67.03	347.90	3.41	-63.62
C[NH+](C)CC1=CC(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)=CC=N1	REAL300030869016	1	54	0.0	-70.87	409.83	4.68	-66.19
C[N@@H+]1CCC(=CC(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030869018	0	50	0.0	-71.97	376.04	4.55	-67.42
C[N@H+]1CCC(=CC(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030869018	1	50	0.0	-72.45	373.38	4.76	-67.69
C[NH+](C)CCOCC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030869052	0	52	0.0	-69.86	391.66	4.28	-65.58
CCCCC[N@H+](C)CCC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030869058	0	60	0.0	-70.18	440.38	6.72	-63.46
CCCCC[N@@H+](C)CCC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030869058	1	60	0.0	-70.47	440.38	6.73	-63.74
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030869067	0	56	0.0	-69.90	413.23	4.78	-65.12
C=CCC(C)(C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030869074	0	55	0.0	-63.10	381.43	4.66	-58.44
C[S+](C)CCC(O)C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030869079	0	51	0.0	-62.90	398.10	2.43	-60.47
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030869106	0	53	0.0	-66.24	377.56	0.79	-65.45
CN1CC[N@H+](C)CC(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030869118	0	57	0.0	-70.32	408.87	2.90	-67.42
CN1CC[N@@H+](C)CC(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030869118	1	57	0.0	-70.32	408.87	2.90	-67.42
CC(C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1)[N@@H+]1CCCC(O)C1	REAL300030869119	0	56	0.0	-65.78	406.14	2.19	-63.59
C[N@@H+]1CCCC(O)(CC(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030869138	0	56	0.0	-66.85	406.59	3.69	-63.16
C[N@H+]1CCCC(O)(CC(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030869138	1	56	0.0	-66.85	406.59	3.69	-63.16
CC1CN(CC(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030869141	0	49	0.0	-66.09	368.03	4.12	-61.97
CC1C[NH+](CC(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030869141	1	49	0.0	-66.09	368.03	4.12	-61.97
CN(CCO)CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030869168	0	49	0.0	-66.34	363.93	0.57	-65.77
C[N@H+](CCO)CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030869168	1	49	0.0	-67.21	363.71	0.56	-66.65
C[N@@H+](CCO)CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030869168	1	49	0.0	-67.21	363.71	0.56	-66.65
O=C(C1=CC(=O)[N-]O1)N1CC[C@@H]2CN(C(=O)C3C[N@@H+]4CCN3CCC4)CC[C@@H]21	REAL300030869191	0	55	0.0	-76.14	377.42	2.60	-73.54
O=C(C1=CC(=O)[N-]O1)N1CC[C@@H]2CN(C(=O)C3C[N@H+]4CCN3CCC4)CC[C@@H]21	REAL300030869191	1	55	0.0	-76.14	377.42	2.60	-73.54
CC[N@@H+]1CCCC(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030869197	0	55	0.0	-65.12	399.25	5.47	-59.65
CC[N@H+]1CCCC(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030869197	1	55	0.0	-65.12	399.25	5.47	-59.65
CC(CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1)C[NH+](C)C	REAL300030869199	0	54	0.0	-71.17	392.87	5.20	-65.97
CC[N@H+](C)CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030869212	0	48	0.0	-66.23	353.58	3.81	-62.42
O=C(C1=CC(=O)[N-]O1)N1CC[C@@H]2CN(C(=O)C34CCC[N@@H+]3CCCC4)CC[C@@H]21	REAL300030869240	0	56	0.0	-61.47	384.67	4.84	-56.63
O=C(C1=CC(=O)[N-]O1)N1CC[C@@H]2CN(C(=O)C34CCC[N@H+]3CCCC4)CC[C@@H]21	REAL300030869240	1	56	0.0	-61.47	384.67	4.84	-56.63
O=C(C1=CC(=O)[N-]O1)N1CC[C@@H]2CN(C(=O)C34CCC[N@@H+]3CC=CC4)CC[C@@H]21	REAL300030869247	0	54	0.0	-61.60	377.20	4.92	-56.68
O=C(C1=CC(=O)[N-]O1)N1CC[C@@H]2CN(C(=O)C34CCC[N@H+]3CC=CC4)CC[C@@H]21	REAL300030869247	1	54	0.0	-61.60	377.20	4.92	-56.68
CC[N@H+](CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030869268	0	52	0.0	-63.83	382.16	5.12	-58.71
CC[NH+](CC)CCC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030869286	0	54	0.0	-67.71	393.79	5.11	-62.60
CC1(C)CN(CC(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030869311	0	52	0.0	-66.47	388.20	4.58	-61.89
CC1(C)C[NH+](CC(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030869311	1	52	0.0	-66.47	388.20	4.58	-61.89
CC1(O)CC[N@H+](CC(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030869339	0	53	0.0	-66.12	392.48	1.70	-64.42
C[NH+](C)CC=CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030869346	0	49	0.0	-71.14	374.41	4.25	-66.89
CC(OCC[NH+](C)C)C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030869368	0	55	0.0	-76.54	407.68	4.71	-71.83
C[NH+](C)CCOCCC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030869377	0	55	0.0	-67.66	412.62	3.99	-63.67
COCCN(C)CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030869378	0	52	0.0	-67.38	385.97	2.96	-64.42
COCC[N@H+](C)CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030869378	1	52	0.0	-66.29	386.18	2.98	-63.31
COCC[N@@H+](C)CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030869378	1	52	0.0	-66.29	386.18	2.98	-63.31
C[NH+](C)C1(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)CCCC1	REAL300030869414	0	55	0.0	-59.59	381.40	4.99	-54.60
CC(CCC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030869417	0	54	0.0	-72.17	389.12	4.94	-67.23
CCN1CCC1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030869426	0	49	0.0	-63.85	358.48	3.84	-60.01
CC[N@@H+]1CCC1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030869426	1	49	0.0	-63.53	360.72	3.96	-59.57
CC[N@H+]1CCC1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030869426	1	49	0.0	-63.53	360.72	3.96	-59.57
CC(C)[N@@H+]1CCCC(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030869436	0	58	0.0	-65.49	407.31	6.19	-59.30
CC(C)[N@H+]1CCCC(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030869436	1	58	0.0	-65.49	407.31	6.19	-59.30
O=C(C[N@H+]1CCCC1CO)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030869449	0	53	0.0	-65.27	386.14	1.36	-63.91
O=C(C1=CC(=O)[N-]O1)N1CC[C@@H]2CN(C(=O)C3CC4CCCC[N@@H+]4C3)CC[C@@H]21	REAL300030869471	0	56	0.0	-69.29	399.80	5.83	-63.46
O=C(C1=CC(=O)[N-]O1)N1CC[C@@H]2CN(C(=O)C3CC4CCCC[N@H+]4C3)CC[C@@H]21	REAL300030869471	1	56	0.0	-69.29	399.80	5.83	-63.46
C[NH+]1CCC(C)(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030869477	0	55	0.0	-71.10	385.10	4.51	-66.59
C=CCC(C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030869507	0	52	0.0	-61.71	377.81	4.64	-57.07
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030869520	0	55	0.0	-62.03	395.63	4.84	-57.19
C[N@H+]1CC(C)(C)CC1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030869520	1	55	0.0	-62.03	395.63	4.84	-57.19
C[NH+](C)CCCCCC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030869524	0	57	0.0	-71.17	422.65	6.12	-65.05
CC1C[N@@H+]2CCN1C(C(=O)N1CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030869559	0	55	0.0	-74.98	384.39	1.96	-73.02
CCCC(C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030869560	0	54	0.0	-63.37	386.49	4.94	-58.43
C[NH+](C)C(C)(C)C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030869564	0	51	0.0	-73.09	357.75	3.90	-69.19
C[N@@H+]1CCCCC1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030869606	0	52	0.0	-63.69	365.97	4.19	-59.50
C[N@H+]1CC=C(CC(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030869646	0	53	0.0	-67.80	395.54	5.70	-62.10
C[N@@H+]1CC=C(CC(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030869646	1	53	0.0	-67.80	395.54	5.70	-62.10
O=C(CC1([NH+]2CCCC2)CC1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030869655	0	56	0.0	-64.22	403.16	5.78	-58.44
CN(C)CC1=CC=C(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030869704	0	52	0.0	-73.79	397.99	5.01	-68.78
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030869704	1	52	0.0	-73.79	397.99	5.01	-68.78
O=C(C=CC[NH+]1CCCC1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030869721	0	53	0.0	-70.42	396.51	5.60	-64.82
O=C(C1=CC(=O)[N-]O1)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C4CC4)CC3)CC[C@@H]21	REAL300030869745	0	56	0.0	-79.23	408.29	6.07	-73.16
O=C(CC[NH+]1CCCC1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030869768	0	52	0.0	-68.39	383.25	4.85	-63.54
C[N@@H+]1CC2CC1(C(=O)N1CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030869816	0	50	0.0	-60.20	362.40	4.22	-55.98
O=C(C[N@@H+]1CC2CCC1C2)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030869830	0	53	0.0	-63.54	384.36	5.08	-58.46
O=C(C[N@H+]1CC2CCC1C2)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030869830	1	53	0.0	-63.54	384.36	5.08	-58.46
O=C(C=C1C[NH+]2CCC1CC2)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030869871	0	54	0.0	-68.32	391.22	5.54	-62.78
O=C(C[N@@H+]1CC2C=CC1C2)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030869881	1	51	0.0	-63.98	375.09	5.03	-58.95
O=C(C[N@H+]1CC2C=CC1C2)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030869881	1	51	0.0	-62.63	375.24	5.03	-57.60
CC[NH+]1CCN(CC(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030869913	0	57	0.0	-67.19	414.69	3.15	-64.04
CC(C[NH+](C)C)C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030869933	0	51	0.0	-69.50	374.75	4.42	-65.08
C[N@@H+]1CCCCC1CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030870011	0	55	0.0	-59.62	387.96	5.41	-54.21
C[N@H+]1CCCCC1CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030870011	1	55	0.0	-68.65	395.94	5.48	-63.17
CC1=C2C=C(C(=O)N3CC[C@H]4[C@H](CCN4C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030870027	1	50	0.0	-70.28	393.57	7.23	-63.05
CC(C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CC(C)C1	REAL300030870028	0	52	0.0	-75.61	382.13	4.48	-71.13
CC1CC[N@@H+]1CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030870031	1	49	0.0	-65.91	367.11	4.21	-61.70
CC1CC[N@H+]1CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030870031	1	49	0.0	-64.11	362.09	4.03	-60.08
C[NH+](C)CC(O)CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030870036	0	52	0.0	-73.22	388.37	2.21	-71.01
CC1C[N@H+](C)CC(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030870064	1	53	0.0	-71.42	391.61	4.28	-67.14
CC1C[N@@H+](C)CC(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300030870064	1	53	0.0	-70.07	384.40	3.57	-66.50
O=C(CC[NH+]1CCC(O)CC1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030870073	0	56	0.0	-71.15	411.33	2.44	-68.71
CCC[N@@H+]1CCCCC1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030870075	0	58	0.0	-64.87	405.43	5.69	-59.18
CCC[N@H+]1CCCCC1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030870075	1	58	0.0	-63.57	414.36	6.09	-57.48
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030870154	0	52	0.0	-66.57	385.95	4.99	-61.58
CC(CC[NH+](C)C)C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030870162	0	54	0.0	-68.27	395.95	5.00	-63.27
C[N@H+](CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300030870183	0	56	0.0	-62.90	407.36	2.64	-60.26
C[N@@H+](CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1)[C@@H]1CCC[C@H]1O	REAL300030870183	1	56	0.0	-64.58	407.73	2.65	-61.93
C#CC[N@H+]1CCCCC1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030870192	1	54	0.0	-62.39	391.09	5.41	-56.98
C#CC[N@@H+]1CCCCC1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030870192	1	54	0.0	-60.41	401.09	5.88	-54.53
C[NH+]1CCN(CC(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030870195	1	54	0.0	-68.29	396.95	2.47	-65.82
CC[NH+]1CCN(CC(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030870204	0	57	0.0	-67.19	414.69	3.15	-64.04
NC(=[NH2+])SCC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030870230	0	43	0.0	-68.15	343.72	0.20	-67.95
CC[N@@H+]1CCOCC1CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030870267	0	56	0.0	-69.79	404.86	3.75	-66.04
C[NH+](C)C1CCC(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030870283	0	58	0.0	-71.05	410.35	5.70	-65.35
C[NH+](C)CCC1(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030870284	0	55	0.0	-75.72	410.15	5.65	-70.07
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030870286	0	58	0.0	-67.09	405.30	5.42	-61.67
C[N@@H+]1CC=CCC1CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030870287	0	53	0.0	-64.03	382.55	5.37	-58.66
C[N@H+]1CC=CCC1CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030870287	1	53	0.0	-64.03	382.55	5.37	-58.66
C[C@@H](OCC[NH+](C)C)C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030870310	0	55	0.0	-69.58	408.61	4.89	-64.69
C[NH+]1C2CCC1CC(C(=O)N1CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C1)C2	REAL300030870338	0	56	0.0	-65.61	391.42	5.10	-60.51
CC(C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCSCC1	REAL300030870448	1	53	0.0	-65.95	394.04	5.29	-60.66
CCC1C[NH+](CC(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030870450	0	52	0.0	-66.95	390.60	4.82	-62.13
O=C(C1=CC(=O)[N-]O1)N1CC[C@@H]2CN(C(=O)C3([NH+]4CCCC4)CCC3)CC[C@@H]21	REAL300030870452	0	56	0.0	-60.29	390.18	5.32	-54.97
C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030870461	1	49	0.0	-61.58	355.06	3.70	-57.88
O=C(CC[N@@H+]1CCC(F)C1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030870468	1	52	0.0	-69.59	392.15	4.83	-64.76
COC1C[N@@H+](C)C(C)(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030870476	1	56	0.0	-63.33	398.83	3.14	-60.19
O=C(CC[NH+]1CCCCCC1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030870485	0	58	0.0	-69.32	409.94	5.82	-63.50
O=C(C[NH+]1CCCCC1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030870487	0	52	0.0	-65.62	377.56	5.01	-60.61
CC1C(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)CC[N@@H+]1C	REAL300030870497	0	52	0.0	-70.43	376.85	4.39	-66.04
CC1C(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)CC[N@H+]1C	REAL300030870497	1	52	0.0	-74.87	376.64	4.07	-70.80
C[N@@H+]1CCCCC1CCC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030870499	0	58	0.0	-67.66	417.26	6.14	-61.52
C[N@H+]1CCCCC1CCC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030870499	1	58	0.0	-67.37	409.74	5.93	-61.44
O=C(C1=CC(=O)[N-]O1)N1CC[C@@H]2CN(C(=O)C3CC[N@@H+]4CCOCC34)CC[C@@H]21	REAL300030870529	0	54	0.0	-68.70	388.03	3.14	-65.56
O=C(C1=CC(=O)[N-]O1)N1CC[C@@H]2CN(C(=O)C3CC[N@H+]4CCOCC34)CC[C@@H]21	REAL300030870529	1	54	0.0	-64.59	389.57	3.45	-61.14
CC1=[NH+]C=C2C=CC(C(=O)N3CC[C@H]4[C@H](CCN4C(=O)C4=CC(=O)[N-]O4)C3)=CN21	REAL300030870534	0	50	0.0	-65.22	386.36	6.09	-59.13
CN1CCOCC1CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030870551	0	53	0.0	-72.04	386.75	3.16	-68.88
C[N@@H+]1CCOCC1CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030870551	1	53	0.0	-72.76	387.37	3.11	-69.65
C[N@H+]1CCOCC1CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030870551	1	53	0.0	-72.04	386.75	3.16	-68.88
CC1=C(C)[NH+]=C(CCC(=O)N2CC[C@H]3[C@H](CCN3C(=O)C3=CC(=O)[N-]O3)C2)N1	REAL300030870559	1	53	0.0	-62.85	408.01	4.31	-58.54
C[N@@H+]1CCCC1C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030870731	0	49	0.0	-66.88	358.21	4.00	-62.88
C[N@H+]1CCCC1C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030870731	1	49	0.0	-68.23	350.43	3.59	-64.64
CC1=[NH+]C=CN1CCCC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030870917	1	53	0.0	-68.06	409.24	5.98	-62.08
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C=C1	REAL300030870922	0	55	0.0	-80.37	413.46	6.15	-74.22
O=C(CC[NH+]1CCOCC1)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030870923	1	53	0.0	-75.05	391.57	3.33	-71.72
O=C(C1=CC2=C[NH+]=CN2C=C1)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030870949	1	47	0.0	-75.44	371.45	6.56	-68.88
C[NH+](C)C1CCCC(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300030871001	0	58	0.0	-79.15	415.22	5.73	-73.42
C[N@@H+]1CCC(CC(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300030871004	0	52	0.0	-73.62	383.15	4.74	-68.88
C[N@H+]1CCC(CC(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300030871004	1	52	0.0	-70.90	385.24	4.67	-66.23
CCC(C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[NH+](C)C	REAL300030871019	0	51	0.0	-68.73	366.91	4.09	-64.64
C[NH+](C)CCCCC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030871078	0	54	0.0	-72.04	401.35	5.37	-66.67
CCC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030871098	0	54	0.0	-73.35	398.27	5.25	-68.10
CCC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030871098	1	54	0.0	-73.47	398.27	5.25	-68.22
CCC[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030871102	0	51	0.0	-69.55	377.63	4.43	-65.12
CCC[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030871102	1	51	0.0	-69.33	377.50	4.46	-64.87
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300030871120	0	53	0.0	-73.38	368.16	4.02	-69.36
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300030871120	1	53	0.0	-72.64	368.71	4.03	-68.61
CCCCCC[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030871149	0	60	0.0	-70.79	442.13	6.78	-64.01
CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030871149	1	60	0.0	-72.33	440.37	7.02	-65.31
CC1CC[NH+](CC(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC1	REAL300030871184	0	55	0.0	-71.90	399.24	5.75	-66.15
C[NH+]1CCC(OCC(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC1	REAL300030871206	0	56	0.0	-78.14	416.58	5.29	-72.85
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300030871244	0	56	0.0	-70.40	400.43	5.67	-64.73
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300030871244	1	56	0.0	-76.42	400.16	5.65	-70.77
C[NH+](C)CC1(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC1	REAL300030871254	0	52	0.0	-67.76	381.59	4.88	-62.88
CC1=[NH+]C=C2CCC(C(=O)N3CC[C@@H]4CN(C(=O)C5=CC(=O)[N-]O5)CC[C@@H]43)CN21	REAL300030871255	1	54	0.0	-66.89	400.05	5.72	-61.17
CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC1	REAL300030871265	0	58	0.0	-71.22	411.94	5.50	-65.72
CC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030871287	0	51	0.0	-72.61	376.78	4.50	-68.11
CC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030871287	1	51	0.0	-72.64	376.77	4.50	-68.14
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2C[NH+]3CCC2CC3)C1	REAL300030871317	0	53	0.0	-80.92	372.91	4.74	-76.18
C[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC1	REAL300030871385	0	52	0.0	-74.19	381.40	4.54	-69.65
CC[NH+](CC)CC(F)C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030871473	0	54	0.0	-70.97	394.13	4.81	-66.16
CC(C)C[N@@H+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300030871500	0	58	0.0	-69.49	416.27	5.85	-63.64
CC(C)C[N@H+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300030871500	1	58	0.0	-72.91	417.12	5.98	-66.93
CCC(C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[NH+](CC)CC	REAL300030871525	0	57	0.0	-62.60	400.07	5.21	-57.39
CC1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030871541	0	52	0.0	-66.97	381.02	4.84	-62.13
CC1CCC[N@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030871541	1	52	0.0	-66.31	377.06	4.38	-61.93
CC(C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[NH+]1CCCCCC1	REAL300030871602	0	58	0.0	-66.47	402.23	5.47	-61.00
CC(C)[N@@H+]1CCCC1C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030871621	0	55	0.0	-70.30	386.47	5.43	-64.87
CC(C)[N@H+]1CCCC1C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030871621	1	55	0.0	-67.98	378.96	4.37	-63.61
CC(C)[N@@H+]1CCCC1CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030871626	0	58	0.0	-69.97	409.67	5.47	-64.50
CC(C)[N@H+]1CCCC1CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030871626	1	58	0.0	-63.68	406.17	5.37	-58.31
CC1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300030871656	0	52	0.0	-68.20	383.64	4.72	-63.48
CC1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300030871656	1	52	0.0	-68.70	383.54	4.72	-63.98
CC1=[NH+]C=C2CC(C(=O)N3CC[C@@H]4CN(C(=O)C5=CC(=O)[N-]O5)CC[C@@H]43)CCN21	REAL300030871657	1	54	0.0	-67.03	405.37	5.61	-61.42
CC1(C)CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300030871660	0	55	0.0	-70.68	401.87	5.48	-65.20
CC1(C)CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300030871660	1	55	0.0	-70.90	400.97	5.46	-65.44
C[N@H+](CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)CC(C)(C)C	REAL300030871661	0	57	0.0	-71.16	405.11	5.73	-65.43
C[N@@H+](CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)CC(C)(C)C	REAL300030871661	1	57	0.0	-70.65	406.23	5.80	-64.85
CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[NH+](C)C	REAL300030871668	0	51	0.0	-65.30	368.74	4.05	-61.25
CN(CCC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)C1=CC=[NH+]C=C1	REAL300030871783	0	54	0.0	-70.81	411.09	4.86	-65.95
CC1=[NH+]C=CN1CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030871861	1	47	0.0	-65.69	364.66	4.65	-61.04
CC(C[NH+]1CCOCC1)C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030871863	1	56	0.0	-72.81	408.65	3.78	-69.03
O=C(CCC[NH+]1CCCCC1)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030871877	0	58	0.0	-70.56	423.77	6.31	-64.25
C[NH+](C)CC1=CC(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)=NO1	REAL300030871890	1	51	0.0	-78.06	393.46	4.13	-73.93
CC1=C(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C=CC2=C[NH+]=CN21	REAL300030871891	0	50	0.0	-76.25	387.98	6.96	-69.29
CC(C)C1=[NH+]C=CN1CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030871924	1	53	0.0	-65.97	402.01	5.90	-60.07
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300030871957	0	56	0.0	-63.51	390.11	5.06	-58.45
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300030871957	1	56	0.0	-64.09	400.66	5.91	-58.18
CC[N@@H+]1CCOC(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300030871976	1	53	0.0	-65.09	381.40	3.65	-61.44
CC[N@H+]1CCOC(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300030871976	1	53	0.0	-76.61	379.84	3.78	-72.83
O=C(C1=CN2C=[NH+]C=C2C=C1)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030872016	0	47	0.0	-72.54	371.29	6.53	-66.01
CC1=C[NH+]=CN1CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030872021	1	47	0.0	-69.06	365.07	5.46	-63.60
C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC[N@@H+]1C	REAL300030872035	0	52	0.0	-72.68	365.82	4.25	-68.43
C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC[N@H+]1C	REAL300030872035	1	52	0.0	-72.07	370.06	4.36	-67.71
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC[N@@H+]1C	REAL300030872039	0	55	0.0	-72.65	389.28	4.66	-67.99
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC[N@H+]1C	REAL300030872039	1	55	0.0	-69.87	393.69	4.89	-64.98
CC1CCC(C)[NH+]1CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030872049	0	55	0.0	-67.79	383.42	4.65	-63.14
O=C(CCC[NH+]1CCCC1)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030872055	0	55	0.0	-70.12	407.07	5.54	-64.58
C[NH+](C)CC1=CC=CC(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)=C1	REAL300030872056	0	55	0.0	-73.36	409.00	6.16	-67.20
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC1	REAL300030872061	0	54	0.0	-75.61	404.63	5.94	-69.67
O=C(CC[NH+]1CCCCC1)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030872062	0	55	0.0	-70.79	401.81	5.46	-65.33
O=C(CN1C=[NH+]C2=C1CCCC2)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030872073	1	54	0.0	-65.47	407.27	7.12	-58.35
C[NH+](C)C1(CC(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CCCC1	REAL300030872100	0	58	0.0	-74.48	399.53	5.79	-68.69
C[N@H+](CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)C1CCC1	REAL300030872234	0	52	0.0	-69.02	382.85	5.24	-63.78
C[N@@H+](CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)C1CCC1	REAL300030872234	1	52	0.0	-67.22	384.53	5.00	-62.22
CC(C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[NH+]1C(C)CCC1C	REAL300030872252	0	58	0.0	-62.11	399.52	5.39	-56.72
O=C(CCCC[NH+]1CCCC1)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030872265	0	58	0.0	-70.67	426.29	6.48	-64.19
C[N@H+](CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)CC1=CC=CC=C1	REAL300030872267	1	55	0.0	-76.23	413.19	6.91	-69.32
C[N@@H+](CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)CC1=CC=CC=C1	REAL300030872267	1	55	0.0	-75.92	413.24	6.91	-69.01
C[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC1	REAL300030872278	0	52	0.0	-74.19	381.40	4.54	-69.65
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030872313	0	49	0.0	-71.58	355.44	3.72	-67.86
C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030872313	1	49	0.0	-67.32	355.92	3.81	-63.51
C[N@@H+]1CCCC1CCC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030872339	0	55	0.0	-70.56	397.31	5.22	-65.34
C[N@H+]1CCCC1CCC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030872339	1	55	0.0	-76.53	399.90	5.55	-70.98
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300030872353	0	56	0.0	-67.02	400.45	5.95	-61.07
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300030872353	1	56	0.0	-68.73	395.77	5.68	-63.05
CCC[N@@H+]1CCCC(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300030872413	0	58	0.0	-66.33	409.71	6.16	-60.17
CCC[N@H+]1CCCC(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300030872413	1	58	0.0	-70.29	420.26	6.07	-64.22
CC(C)[N@@H+]1CCOC(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300030872426	1	56	0.0	-80.51	403.86	4.48	-76.03
CC(C)[N@H+]1CCOC(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300030872426	1	56	0.0	-74.24	396.62	4.31	-69.93
O=C(C[NH+]1CCC(CO)CC1)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030872483	0	56	0.0	-75.81	409.49	2.36	-73.45
CC1C(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC[N@@H+]1C	REAL300030872526	0	52	0.0	-72.38	380.10	4.27	-68.11
CC1C(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC[N@H+]1C	REAL300030872526	1	52	0.0	-71.76	367.26	4.48	-67.28
C[N@@H+]1CCCCC1CCC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030872528	0	58	0.0	-68.97	417.72	6.11	-62.86
C[N@H+]1CCCCC1CCC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030872528	1	58	0.0	-74.69	410.32	5.92	-68.77
NC1=[NH+]C2=C(C=C1C(=O)N1CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]31)CCC2	REAL300030872554	1	52	0.0	-64.70	392.49	3.86	-60.84
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030872603	0	55	0.0	-68.72	397.64	4.86	-63.86
CC(C)(C)[N@H+]1CCC1C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030872603	1	55	0.0	-67.72	397.99	5.02	-62.70
C[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[NH+](C)C	REAL300030872621	0	48	0.0	-65.52	350.82	3.45	-62.07
C[NH+](C)CC1=CC(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)=CC=N1	REAL300030872635	1	54	0.0	-71.17	404.97	4.74	-66.43
C=CCC(C)(C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[NH+](C)C	REAL300030872639	0	55	0.0	-72.23	372.29	4.87	-67.36
O=C(CC[NH+]1CCCC1)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030872664	0	52	0.0	-71.88	384.63	5.04	-66.84
C[N@H+](CCO)CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030872673	1	49	0.0	-69.41	366.36	0.47	-68.94
C[N@@H+](CCO)CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030872673	1	49	0.0	-71.91	364.29	0.62	-71.29
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300030872706	0	55	0.0	-81.39	377.93	2.60	-78.79
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300030872706	1	55	0.0	-72.52	383.10	2.53	-69.99
CC(C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[NH+]1CCSCC1	REAL300030872725	1	53	0.0	-68.98	390.54	4.98	-64.00
C[N@H+]1CC=C(CC(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC1	REAL300030872758	0	53	0.0	-68.55	395.48	5.53	-63.02
C[N@@H+]1CC=C(CC(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC1	REAL300030872758	1	53	0.0	-65.50	397.40	5.39	-60.11
C[S+](C)CCC(O)C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030872770	0	51	0.0	-79.27	397.09	2.52	-76.75
CN1CC[N@H+](C)CC(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300030872799	0	57	0.0	-67.90	407.49	3.16	-64.74
CN1CC[N@@H+](C)CC(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300030872799	1	57	0.0	-73.77	407.14	3.03	-70.74
CC(C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[N@@H+]1CCCC(O)C1	REAL300030872800	0	56	0.0	-67.18	402.52	1.90	-65.28
CC(C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[N@H+]1CCCC(O)C1	REAL300030872800	1	56	0.0	-67.03	402.57	2.03	-65.00
C[N@@H+]1CCCC(O)(CC(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300030872831	0	56	0.0	-67.59	396.98	3.23	-64.36
C[N@H+]1CCCC(O)(CC(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300030872831	1	56	0.0	-69.43	393.69	3.36	-66.07
CC1C[NH+](CC(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300030872835	1	49	0.0	-71.64	367.67	4.25	-67.39
CC[N@@H+]1CCCC(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300030872840	0	55	0.0	-69.28	396.29	5.05	-64.23
CC[N@H+]1CCCC(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300030872840	1	55	0.0	-70.02	396.74	5.33	-64.69
NC1=[NH+]C=CC=C1CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030872846	0	48	0.0	-67.14	370.51	2.98	-64.16
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300030872857	0	53	0.0	-70.73	377.53	4.81	-65.92
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300030872857	1	53	0.0	-69.31	385.51	4.99	-64.32
O=C(C=CC[NH+]1CCCC1)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030872896	0	53	0.0	-73.24	396.19	5.51	-67.73
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300030872917	0	56	0.0	-73.64	408.58	6.07	-67.57
CC[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030872953	0	48	0.0	-69.13	356.14	3.69	-65.44
O=C(CN1CC2C=CC1C2)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873005	0	51	0.0	-67.81	375.31	5.01	-62.80
O=C(C[N@@H+]1CC2C=CC1C2)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873005	1	51	0.0	-64.87	377.76	4.88	-59.99
O=C(C[N@H+]1CC2C=CC1C2)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873005	1	51	0.0	-64.87	377.76	4.88	-59.99
CC1=CC=C(NCCC(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)N=C1	REAL300030873025	0	54	0.0	-66.18	414.68	4.47	-61.71
CC1=CC=C(NCCC(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)[NH+]=C1	REAL300030873025	1	54	0.0	-66.18	414.68	4.47	-61.71
CC(OCC[NH+](C)C)C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873131	0	55	0.0	-70.22	408.01	4.64	-65.58
C[NH+](C)CCOCCC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873141	0	55	0.0	-70.51	413.50	4.08	-66.43
COCCN(C)CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873143	0	52	0.0	-70.14	388.52	2.82	-67.32
COCC[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873143	1	52	0.0	-69.68	388.61	2.88	-66.80
COCC[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873143	1	52	0.0	-69.68	388.61	2.88	-66.80
CC(CCC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[NH+](C)C	REAL300030873149	0	54	0.0	-74.05	389.34	4.96	-69.09
CC[N@H+](CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)C1CC1	REAL300030873173	0	52	0.0	-67.67	379.65	4.95	-62.72
CC1C[N@@H+]2CCN1C(C(=O)N1CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]31)C2	REAL300030873183	0	55	0.0	-81.09	386.14	1.93	-79.16
CC1=NC(N)=CC=C1C=CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873212	0	52	0.0	-70.19	400.43	3.69	-66.50
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873212	1	52	0.0	-70.19	400.43	3.69	-66.50
O=C(C[N@@H+]1CC2CCC1C2)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873218	0	53	0.0	-67.63	380.54	5.14	-62.49
O=C(C[N@H+]1CC2CCC1C2)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873218	1	53	0.0	-67.63	380.54	5.14	-62.49
CC(C[NH+](C)C)C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873237	0	51	0.0	-72.33	375.75	4.32	-68.01
CCN1CCC1C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873280	0	49	0.0	-68.57	358.97	3.82	-64.75
CC[N@@H+]1CCC1C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873280	1	49	0.0	-66.12	361.42	3.62	-62.50
CC[N@H+]1CCC1C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873280	1	49	0.0	-66.12	361.42	3.62	-62.50
CC(C)[N@@H+]1CCCC(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300030873290	0	58	0.0	-66.20	415.90	5.70	-60.50
CC(C)[N@H+]1CCCC(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300030873290	1	58	0.0	-66.20	415.90	5.70	-60.50
CCC(C)(C)[NH2+]C(C)C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873301	0	57	0.0	-68.68	402.02	3.66	-65.02
C#CCN1CCCCC1C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873342	0	54	0.0	-66.13	389.44	5.50	-60.63
C#CC[N@H+]1CCCCC1C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873342	1	54	0.0	-70.43	395.99	5.47	-64.96
C#CC[N@@H+]1CCCCC1C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873342	1	54	0.0	-70.43	395.99	5.47	-64.96
CNC1=NC(C)=CC=C1C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873343	0	51	0.0	-65.88	388.52	3.75	-62.13
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873343	1	51	0.0	-65.88	388.52	3.75	-62.13
CCCC(C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[NH+](C)C	REAL300030873353	0	54	0.0	-66.69	389.08	4.81	-61.88
CC(CC[NH+](C)C)C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873375	0	54	0.0	-72.47	397.41	4.94	-67.53
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873471	0	55	0.0	-69.44	397.33	5.22	-64.22
C[N@H+]1CC(C)(C)CC1C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873471	1	55	0.0	-69.44	397.33	5.22	-64.22
C[NH+](C)CCCCCC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873476	0	57	0.0	-71.39	422.84	6.14	-65.25
O=C(CC[NH+]1CCC(O)CC1)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873480	0	56	0.0	-74.46	412.91	2.10	-72.36
CCC[N@@H+]1CCCCC1C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873483	0	58	0.0	-66.98	404.34	5.61	-61.37
CCC[N@H+]1CCCCC1C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873483	1	58	0.0	-66.98	404.34	5.61	-61.37
CN1CCN(CC(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC1	REAL300030873492	0	54	0.0	-69.20	395.43	2.65	-66.55
C[NH+]1CCN(CC(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC1	REAL300030873492	1	54	0.0	-69.20	395.43	2.65	-66.55
CC1CN(C)CC(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)O1	REAL300030873583	0	53	0.0	-78.49	382.78	3.99	-74.50
CC1C[N@H+](C)CC(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)O1	REAL300030873583	1	53	0.0	-67.84	381.25	3.91	-63.93
CC1C[N@@H+](C)CC(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)O1	REAL300030873583	1	53	0.0	-67.84	381.25	3.91	-63.93
CCC1CCC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300030873613	0	58	0.0	-72.29	410.34	6.24	-66.05
CCC1CCC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300030873613	1	58	0.0	-72.29	410.34	6.24	-66.05
O=C(CC1([NH+]2CCCC2)CC1)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873648	0	56	0.0	-68.60	401.67	5.94	-62.66
C[N@@H+]1CCCCC1C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873680	0	52	0.0	-68.16	364.81	4.36	-63.80
C[N@@H+]1CCC(=CC(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300030873780	0	50	0.0	-73.97	373.25	4.74	-69.23
C[N@H+]1CCC(=CC(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300030873780	1	50	0.0	-73.97	373.25	4.74	-69.23
O=C(CNC1=CC=[NH+]C=C1)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873785	0	48	0.0	-71.86	372.06	2.43	-69.43
O=C(C=C1C[NH+]2CCC1CC2)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873835	0	54	0.0	-64.92	392.13	5.64	-59.28
C[N@H+](CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[C@@H]1CCC[C@H]1O	REAL300030873874	0	56	0.0	-66.24	406.68	2.26	-63.98
C[N@@H+](CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[C@@H]1CCC[C@H]1O	REAL300030873874	1	56	0.0	-67.28	406.66	2.42	-64.86
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873891	0	49	0.0	-65.99	360.97	3.93	-62.06
C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873891	1	49	0.0	-65.01	354.32	3.40	-61.61
CCN1CCOCC1CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873919	0	56	0.0	-72.53	399.86	3.53	-69.00
CC[N@@H+]1CCOCC1CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873919	1	56	0.0	-75.90	404.69	3.66	-72.24
CC[N@H+]1CCOCC1CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873919	1	56	0.0	-75.90	404.69	3.66	-72.24
NC1=NC2=CC(C(=O)N3CC[C@@H]4CN(C(=O)C5=CC(=O)[N-]O5)CC[C@@H]43)=CC=C2N1	REAL300030873995	0	49	0.0	-75.38	377.91	4.00	-71.38
NC1=[NH+]C2=CC(C(=O)N3CC[C@@H]4CN(C(=O)C5=CC(=O)[N-]O5)CC[C@@H]43)=CC=C2N1	REAL300030873995	1	49	0.0	-75.38	377.91	4.00	-71.38
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300030874028	0	52	0.0	-73.61	385.90	4.90	-68.71
C[NH+](C)C1CCC(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC1	REAL300030874042	0	58	0.0	-76.96	411.27	5.78	-71.18
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC1	REAL300030874044	0	58	0.0	-69.26	404.41	5.58	-63.68
C[N@@H+]1CC=CCC1CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874045	0	53	0.0	-72.59	389.42	5.11	-67.48
C[N@H+]1CC=CCC1CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874045	1	53	0.0	-72.59	389.42	5.11	-67.48
CC1=CC(C=CC(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)=CN=C1N	REAL300030874092	0	52	0.0	-75.01	400.84	4.13	-70.88
CC1=CC(C=CC(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)=C[NH+]=C1N	REAL300030874092	1	52	0.0	-75.01	400.84	4.13	-70.88
C[NH+](C)CCOCC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874104	0	52	0.0	-71.01	392.18	4.24	-66.77
CCCCC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874110	0	60	0.0	-74.37	441.27	6.81	-67.56
CCCCC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874110	1	60	0.0	-74.37	441.27	6.81	-67.56
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)O1	REAL300030874120	0	56	0.0	-71.77	411.38	4.93	-66.84
[NH2+]=C1SC=CN1CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874138	0	45	0.0	-65.28	363.70	3.44	-61.84
C[C@@H](OCC[NH+](C)C)C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874200	0	55	0.0	-70.04	406.29	4.63	-65.41
O=C(CC[NH+]1CCCCCC1)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874234	0	58	0.0	-73.54	410.33	5.94	-67.60
O=C(C[NH+]1CCCCC1)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874238	0	52	0.0	-69.08	377.71	5.07	-64.01
C[N@@H+]1CCCC(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300030874240	0	52	0.0	-72.89	380.47	4.56	-68.33
C[N@H+]1CCCC(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300030874240	1	52	0.0	-70.27	372.72	4.86	-65.41
O=C(C[NH+]1CCC(CO)CC1)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874241	0	56	0.0	-75.81	409.49	2.36	-73.45
O=C(C[NH+]1CCCCCC1)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874244	0	55	0.0	-69.43	386.96	5.26	-64.17
CN1C=C[N+](CC(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)=C1	REAL300030874249	0	47	0.0	-65.28	366.84	6.55	-58.73
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)O1	REAL300030874264	1	52	0.0	-81.33	398.82	4.74	-76.59
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C=N1	REAL300030874269	0	54	0.0	-79.94	405.11	4.33	-75.61
O=C(C[NH+]1CCC(O)CC1)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874280	1	53	0.0	-75.28	388.89	1.69	-73.59
C[N@@H+](CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)C1CC1	REAL300030874285	1	49	0.0	-68.99	365.72	4.60	-64.39
CC(C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)N1CC[NH+](C)CC1	REAL300030874287	1	57	0.0	-67.20	402.71	2.75	-64.45
O=C(CC[N@@H+]1CCC(F)C1)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874290	1	52	0.0	-70.91	390.72	5.01	-65.90
CC(CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)C[NH+](C)C	REAL300030874314	0	54	0.0	-73.26	393.61	5.19	-68.07
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300030874329	0	54	0.0	-72.37	392.58	3.31	-69.06
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2CC[N@H+]3CCOCC23)C1	REAL300030874329	1	54	0.0	-64.98	379.69	3.11	-61.87
CC1=[NH+]C=C2C=CC(C(=O)N3CC[C@@H]4CN(C(=O)C5=CC(=O)[N-]O5)CC[C@@H]43)=CN21	REAL300030874334	0	50	0.0	-68.51	392.70	6.31	-62.20
CN1CCOCC1CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874351	0	53	0.0	-75.40	387.01	3.03	-72.37
C[N@@H+]1CCOCC1CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874351	1	53	0.0	-65.27	379.41	2.86	-62.41
C[N@H+]1CCOCC1CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874351	1	53	0.0	-75.40	387.01	3.03	-72.37
CC[NH+]1CCN(CC(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC1	REAL300030874357	0	57	0.0	-69.24	415.23	3.18	-66.06
CC1=CC(N)=[NH+]C=C1C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874400	1	48	0.0	-73.54	364.49	2.23	-71.31
NC1=CC=C(CCC(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C=[NH+]1	REAL300030874403	0	51	0.0	-68.52	394.83	3.57	-64.95
CC1(O)CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300030874437	1	53	0.0	-71.69	392.64	1.66	-70.03
C[NH+]1CC(CC(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300030874470	0	49	0.0	-71.14	367.73	4.01	-67.13
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300030874475	0	56	0.0	-71.83	408.78	6.14	-65.69
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300030874475	1	56	0.0	-70.01	404.20	5.88	-64.13
C[NH+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874483	0	45	0.0	-69.73	336.21	3.05	-66.68
C[N@H+](CCO)CCC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874510	0	52	0.0	-72.78	387.13	1.28	-71.50
C[N@@H+](CCO)CCC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874510	1	52	0.0	-71.53	386.91	1.19	-70.34
C[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[NH+](C)C	REAL300030874511	0	48	0.0	-65.52	350.82	3.45	-62.07
C[N@@H+]1CCCCC1CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874529	0	55	0.0	-75.28	395.92	5.34	-69.94
C[N@H+]1CCCCC1CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874529	1	55	0.0	-65.40	388.11	5.24	-60.16
CC1=C2C=C(C(=O)N3CC[C@@H]4CN(C(=O)C5=CC(=O)[N-]O5)CC[C@@H]43)C=CN2C=[NH+]1	REAL300030874548	1	50	0.0	-73.48	393.36	7.12	-66.36
CC(C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[NH+]1CC(C)C1	REAL300030874549	0	52	0.0	-65.76	383.33	4.40	-61.36
CC1CCN1CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874552	0	49	0.0	-67.70	369.52	4.13	-63.57
CC1CC[N@@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874552	1	49	0.0	-70.69	368.08	4.22	-66.47
CC1CC[N@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874552	1	49	0.0	-67.70	369.52	4.13	-63.57
C[NH+](C)CC=CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874563	0	49	0.0	-73.30	373.64	4.22	-69.08
CC1(C)C[NH+](CC(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C1	REAL300030874575	1	52	0.0	-69.68	386.27	4.65	-65.03
CC1=C(C)[NH+]=C(CCC(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)N1	REAL300030874593	1	53	0.0	-65.30	408.50	4.35	-60.95
CC1=C2C=C(C(=O)N3CC[C@@H]4CN(C(=O)C5=CC(=O)[N-]O5)CC[C@@H]43)C=CN2C=[NH+]1	REAL300030874603	1	50	0.0	-73.48	393.36	7.12	-66.36
C[NH+](C)CCSCC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874612	0	52	0.0	-76.90	403.42	5.26	-71.64
O=C(C[N@@H+]1CCCC1CO)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874636	1	53	0.0	-69.20	388.71	1.60	-67.60
CC[NH+](CC)CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874640	0	51	0.0	-67.17	367.55	4.25	-62.92
C[N@@H+](CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)C1CCSC1	REAL300030874651	1	53	0.0	-73.77	399.08	5.28	-68.49
O=C(C[NH+]1CCC1)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874653	1	46	0.0	-69.41	346.09	3.63	-65.78
CC[NH+](CC)CCC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874692	0	54	0.0	-69.49	393.44	5.11	-64.38
C[NH+](C)CC1=CNC(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)=C1	REAL300030874747	0	53	0.0	-77.06	399.27	4.47	-72.59
CC(C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[NH+]1CCC(O)CC1	REAL300030874762	0	56	0.0	-70.33	402.76	1.89	-68.44
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300030874767	0	54	0.0	-68.10	392.48	3.20	-64.90
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2CC3COCC[N@H+]3C2)C1	REAL300030874767	1	54	0.0	-71.39	391.22	3.36	-68.03
CC(C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[NH+]1CCC1	REAL300030874780	1	49	0.0	-66.25	365.00	3.93	-62.32
CCC(CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)C[NH+](C)C	REAL300030874787	0	57	0.0	-72.37	407.51	6.00	-66.37
NC1=CC=C(C=CC(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C=[NH+]1	REAL300030874792	0	49	0.0	-74.94	382.83	3.24	-71.70
C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874844	1	52	0.0	-68.98	378.24	4.75	-64.23
CC1CN2CC[N@@H+]1CC2C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874857	0	55	0.0	-66.59	384.88	1.62	-64.97
CC1CN2CC[N@H+]1CC2C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874857	1	55	0.0	-77.90	385.89	1.88	-76.02
C[NH+](C)CC(O)CC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874877	0	52	0.0	-75.60	388.75	2.23	-73.37
C[NH+]1C2CCC1CC(C(=O)N1CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]31)C2	REAL300030874880	0	56	0.0	-72.56	369.99	5.04	-67.52
C=CCC(C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)[NH+](C)C	REAL300030874912	0	52	0.0	-71.71	377.72	4.67	-67.04
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300030874919	0	56	0.0	-70.40	400.43	5.67	-64.73
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300030874919	1	56	0.0	-76.42	400.16	5.65	-70.77
C[NH+]1CCC(O)(CC(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)CC1	REAL300030874928	0	56	0.0	-69.91	403.99	3.48	-66.43
CC1=C2C=C(C(=O)N3CC[C@H]4[C@H](CCN4C(=O)C4=CC(=O)[N-]O4)C3)C=CN2C=[NH+]1	REAL300030875007	1	50	0.0	-70.28	393.57	7.23	-63.05
C[NH+](C)CCSCC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030875016	0	52	0.0	-73.51	402.69	5.18	-68.33
O=C(C1=CC(=O)[N-]O1)N1CC[C@@H]2CN(C(=O)C3CC4COCC[N@@H+]4C3)CC[C@@H]21	REAL300030875024	0	54	0.0	-65.50	390.90	3.51	-61.99
O=C(C1=CC(=O)[N-]O1)N1CC[C@@H]2CN(C(=O)C3CC4COCC[N@H+]4C3)CC[C@@H]21	REAL300030875024	1	54	0.0	-68.50	392.12	3.11	-65.39
C[NH+](C)CC(=O)N1CCN2N=CC(S(C)(=O)=NC(=O)C3=CC(=O)[N-]O3)=C2C1	REAL300030875143	1	47	0.0	-94.84	392.13	0.20	-94.64
C[N@@H+]1CCCC1C(=O)N1CCOCC2(COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030875335	0	54	0.0	-70.48	385.58	1.26	-69.22
C[N@H+]1CCCC1C(=O)N1CCOCC2(COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030875335	1	54	0.0	-70.13	384.94	0.99	-69.14
CCC(C(=O)N1CCOCC2(COCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030875438	0	56	0.0	-75.86	372.05	3.06	-72.80
CCC[N@H+](C)CC(=O)N1CCOCC2(COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030875443	0	56	0.0	-59.40	396.95	3.25	-56.15
CCC[N@@H+](C)CC(=O)N1CCOCC2(COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030875443	1	56	0.0	-59.48	397.13	3.22	-56.26
C[N@@H+]1CCC[C@@H]1C(=O)N1CCOCC2(COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030875451	0	54	0.0	-68.48	351.08	1.72	-66.76
C[N@H+]1CCC[C@@H]1C(=O)N1CCOCC2(COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030875451	1	54	0.0	-72.08	387.22	3.11	-68.97
CC[NH+](CC)CC(=O)N1CCOCC2(COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030875456	0	56	0.0	-58.47	374.37	2.73	-55.74
CC[N@H+](C)CCC(=O)N1CCOCC2(COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030875514	0	56	0.0	-49.67	389.09	3.56	-46.11
CC[N@@H+](C)CCC(=O)N1CCOCC2(COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030875514	1	56	0.0	-50.25	390.54	3.62	-46.63
CC[C@@H](C(=O)N1CCOCC2(COCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030875517	0	56	0.0	-42.61	379.15	4.06	-38.55
C[NH+](C)CC(=O)N1CCOCC2(COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030875535	0	50	0.0	-59.79	343.86	1.43	-58.36
CC(C(=O)N1CCOCC2(COCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL300030875539	1	54	0.0	-61.90	375.71	3.83	-58.07
C[N@H+](CC(=O)N1CCOCC2(COCCN2C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030875546	0	54	0.0	-56.84	386.99	3.26	-53.58
C[N@@H+](CC(=O)N1CCOCC2(COCCN2C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL300030875546	1	54	0.0	-45.23	379.84	3.67	-41.56
C[NH+]1CC(CC(=O)N2CCOCC3(COCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030875552	0	54	0.0	-51.57	381.73	3.21	-48.36
C[C@@H](C(=O)N1CCOCC2(COCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030875559	0	53	0.0	-44.64	358.06	2.33	-42.31
C[C@@H](C(=O)N1CCOCC2(COCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030875581	0	53	0.0	-44.64	358.06	2.33	-42.31
C[C@H](C(=O)N1CCOCC2(COCCN2C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL300030875610	0	53	0.0	-74.03	379.82	2.47	-71.56
CC1C[NH+](CC(=O)N2CCOCC3(COCCN3C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030875617	1	54	0.0	-59.56	389.31	2.91	-56.65
C[N@H+](CCO)CC(=O)N1CCOCC2(COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030875628	1	54	0.0	-60.81	385.98	-0.76	-61.57
C[N@@H+](CCO)CC(=O)N1CCOCC2(COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030875628	1	54	0.0	-59.03	385.61	-0.75	-59.78
CC[N@H+](C)CC(=O)N1CCOCC2(COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030875635	0	53	0.0	-47.03	368.68	2.95	-44.08
CC[N@@H+](C)CC(=O)N1CCOCC2(COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030875635	1	53	0.0	-46.98	368.67	2.97	-44.01
C[NH+](C)CC=CC(=O)N1CCOCC2(COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030875653	0	54	0.0	-67.70	394.56	3.14	-64.56
CC[N@@H+]1CCC1C(=O)N1CCOCC2(COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030875659	1	54	0.0	-73.32	389.67	2.92	-70.40
CC[N@H+]1CCC1C(=O)N1CCOCC2(COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030875659	1	54	0.0	-73.12	397.61	1.47	-71.65
C[NH+](C)C(C)(C)C(=O)N1CCOCC2(COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030875673	0	56	0.0	-79.03	367.49	2.93	-76.10
C[NH+](C)C1(C(=O)N2CCOCC3(COCCN3C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030875696	0	54	0.0	-62.83	374.69	3.37	-59.46
CC(C[NH+](C)C)C(=O)N1CCOCC2(COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030875718	0	56	0.0	-63.62	395.79	2.98	-60.64
CC1CC[N@@H+]1CC(=O)N1CCOCC2(COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030875729	1	54	0.0	-39.73	374.65	3.30	-36.43
CC1CC[N@H+]1CC(=O)N1CCOCC2(COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030875729	1	54	0.0	-52.20	388.27	4.13	-48.07
NC(=[NH2+])SCC(=O)N1CCOCC2(COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030875751	0	48	0.0	-73.30	353.21	-1.57	-74.87
C[N@@H+]1CCC[C@H]1C(=O)N1CCOCC2(COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030875783	0	54	0.0	-66.92	384.56	2.73	-64.19
C[N@H+]1CCC[C@H]1C(=O)N1CCOCC2(COCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030875783	1	54	0.0	-34.91	349.52	2.92	-31.99
C[N@@H+]1CCCC1C(=O)N1CCOCC12COCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030875894	0	54	0.0	-59.73	366.75	3.54	-56.19
C[N@H+]1CCCC1C(=O)N1CCOCC12COCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030875894	1	54	0.0	-50.81	352.47	0.81	-50.00
CCC(C(=O)N1CCOCC12COCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030875968	0	56	0.0	-68.50	377.41	2.50	-66.00
CCC[N@H+](C)CC(=O)N1CCOCC12COCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030875971	0	56	0.0	-65.87	396.21	3.99	-61.88
CCC[N@@H+](C)CC(=O)N1CCOCC12COCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030875971	1	56	0.0	-74.60	392.64	3.11	-71.49
CC[N@H+](C)CCC(=O)N1CCOCC12COCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030875987	0	56	0.0	-67.85	397.06	3.96	-63.89
CC[N@@H+](C)CCC(=O)N1CCOCC12COCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030875987	1	56	0.0	-67.95	397.05	3.96	-63.99
CC[C@@H](C(=O)N1CCOCC12COCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030876013	0	56	0.0	-53.33	355.42	0.56	-52.77
C[N@@H+]1CCC[C@@H]1C(=O)N1CCOCC12COCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030876050	0	54	0.0	-54.26	354.59	2.59	-51.67
C[N@H+]1CCC[C@@H]1C(=O)N1CCOCC12COCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030876050	1	54	0.0	-70.41	380.90	2.76	-67.65
C[C@@H](C(=O)N1CCOCC12COCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030876095	0	53	0.0	-62.29	345.08	3.06	-59.23
C[N@H+](CCO)CC(=O)N1CCOCC12COCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030876105	1	54	0.0	-64.96	374.99	-0.09	-65.05
C[N@@H+](CCO)CC(=O)N1CCOCC12COCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030876105	1	54	0.0	-65.03	384.35	-0.05	-65.08
CC1C[NH+](CC(=O)N2CCOCC23COCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030876121	1	54	0.0	-74.11	388.10	2.97	-71.14
CC[N@H+](C)CC(=O)N1CCOCC12COCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030876137	0	53	0.0	-73.13	376.65	2.51	-70.62
CC[N@@H+](C)CC(=O)N1CCOCC12COCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030876137	1	53	0.0	-74.23	371.15	2.37	-71.86
CC(C[NH+](C)C)C(=O)N1CCOCC12COCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030876164	0	56	0.0	-75.01	391.74	2.86	-72.15
C[C@H](C(=O)N1CCOCC12COCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030876168	0	53	0.0	-72.94	372.48	2.27	-70.67
CC[N@@H+]1CCC1C(=O)N1CCOCC12COCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030876171	1	54	0.0	-73.41	387.52	2.68	-70.73
CC[N@H+]1CCC1C(=O)N1CCOCC12COCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030876171	1	54	0.0	-65.01	381.75	3.48	-61.53
C[N@@H+]1CCC[C@H]1C(=O)N1CCOCC12COCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030876230	0	54	0.0	-68.37	375.55	2.52	-65.85
C[N@H+]1CCC[C@H]1C(=O)N1CCOCC12COCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030876230	1	54	0.0	-68.12	363.46	2.79	-65.33
C[N@H+](CC(=O)N1CCOCC12COCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030876260	0	54	0.0	-70.97	386.62	3.22	-67.75
C[N@@H+](CC(=O)N1CCOCC12COCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1CC1	REAL300030876260	1	54	0.0	-63.48	383.30	3.95	-59.53
C[NH+]1CC(CC(=O)N2CCOCC23COCCN(C(=O)C2=CC(=O)[N-]O2)C3)C1	REAL300030876284	0	54	0.0	-71.41	390.09	2.69	-68.72
C[NH+](C)CC(=O)N1CCOCC12COCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030876287	0	50	0.0	-74.81	353.36	1.68	-73.13
C[C@@H](C(=O)N1CCOCC12COCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+](C)C	REAL300030876290	0	53	0.0	-62.29	345.08	3.06	-59.23
CC1CC[N@@H+]1CC(=O)N1CCOCC12COCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030876297	1	54	0.0	-71.47	383.34	2.61	-68.86
CC1CC[N@H+]1CC(=O)N1CCOCC12COCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030876297	1	54	0.0	-73.04	391.46	1.22	-71.82
C[NH+](C)CC=CC(=O)N1CCOCC12COCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030876298	0	54	0.0	-75.54	394.22	3.11	-72.43
CC[NH+](CC)CC(=O)N1CCOCC12COCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030876304	0	56	0.0	-72.74	392.66	3.15	-69.59
O=C(C[NH+]1CCC1)N1CCOCC12COCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030876305	1	51	0.0	-73.59	369.02	2.25	-71.34
CC(C(=O)N1CCOCC12COCCN(C(=O)C1=CC(=O)[N-]O1)C2)[NH+]1CCC1	REAL300030876323	1	54	0.0	-49.38	371.04	3.18	-46.20